A0A3Q0KT70_SCHMA Loading...

Protein arginine N-methyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KT70, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 665 aa.

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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
1M29.2Very low35.3Very low204 Ų204106.5 Ų106.5100%1.00554%0.539SS*.  0-55.30-112.4172.5-160.700111.9R3 R4 L5M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.27Å; M1-R4 PolarHBondContact O-N 2.83Å; M1-L5 PolarHBondContact O-N 2.99Å; M1-L5 VanDerWaalsContact O-N 3.09Å
2A28.4Very low37Very low71 Ų71107.9 Ų107.959%0.58754%0.542SS*.Hα-helixtrans-56.5-38.7174.700000113.9R4 L5 V6A2-R4 PolarHBondContact O-N 3.46Å; A2-L5 PolarHBondContact O-N 2.68Å; A2-L5 VanDerWaalsContact O-N 3.11Å; A2-V6 WeakPolarHBondContact O-CG2 3.34Å; A2-V6 PolarHBondContact O-N 3.27Å
3R30.9Very low39.4Very low146 Ų146102.7 Ų102.755%0.55153%0.526SS*.Hα-helixtrans-56.1-45.5175.6-140.5176.1-173.71703.1112.8M1 E7 E297M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.27Å; R3-E7 WeakPolarHBondContact O-CB 3.36Å; R3-E7 WeakPolarHBondContact O-CG 3.31Å; R3-E7 PolarHBondContact O-N 2.95Å; R3-E7 VanDerWaalsContact O-N 3.08Å; R3-E297 IonicContact NH2-OE1 2.74Å; R3-E297 PolarHBondContact NH2-OE1 2.67Å; R3-E297 IonicContact NH2-OE2 2.87Å; R3-E297 PolarHBondContact NH2-OE2 2.89Å
4R29.1Very low42.8Very low209 Ų20996 Ų9679%0.78949%0.491SS*.Hα-helixtrans-71.1-32.2175.3-76-171.9-173.4177.41.8113.1M1 A2 S8M1-R4 PolarHBondContact O-N 2.83Å; A2-R4 PolarHBondContact O-N 3.46Å; R4-S8 WeakPolarHBondContact O-CB 3.06Å; R4-S8 PolarHBondContact O-N 2.77Å
5L29.5Very low46.3Very low104 Ų10489.7 Ų89.755%0.54546%0.459SS..Hα-helixtrans-69.9-43.3177.5-80.1158.2000111.5M1 A2 S8 M9M1-L5 PolarHBondContact O-N 2.99Å; M1-L5 VanDerWaalsContact O-N 3.09Å; A2-L5 PolarHBondContact O-N 2.68Å; A2-L5 VanDerWaalsContact O-N 3.11Å; L5-S8 PolarHBondContact O-N 2.91Å; L5-S8 PolarHBondContact O-OG 2.64Å; L5-M9 WeakPolarHBondContact O-CB 3.35Å; L5-M9 WeakPolarHBondContact O-CG 3.46Å; L5-M9 PolarHBondContact O-N 2.7Å
6V34Very low49.5Very low67 Ų6784.1 Ų84.141%0.40643%0.43SS..Hα-helixtrans-71.7-40178.61790000111.2A2 M9 V10A2-V6 WeakPolarHBondContact O-CG2 3.34Å; A2-V6 PolarHBondContact O-N 3.27Å; V6-M9 PolarHBondContact O-N 3.29Å; V6-V10 WeakPolarHBondContact O-CG2 3.41Å; V6-V10 PolarHBondContact O-N 2.79Å; V6-V10 VanDerWaalsContact O-N 3.1Å
7E37.4Very low52.2Low103 Ų10379.5 Ų79.548%0.48141%0.407SS..Hα-helixtrans-66.3-36.3173.6-76164.2-167.300112.3R3 S11R3-E7 WeakPolarHBondContact O-CB 3.36Å; R3-E7 WeakPolarHBondContact O-CG 3.31Å; R3-E7 PolarHBondContact O-N 2.95Å; R3-E7 VanDerWaalsContact O-N 3.08Å; E7-S11 WeakPolarHBondContact O-CB 3.33Å; E7-S11 PolarHBondContact O-N 2.93Å; E7-S11 VanDerWaalsContact O-N 3.12Å; E7-S11 PolarHBondContact O-OG 2.79Å
8S32.2Very low54.7Low38 Ų3877 Ų7727%0.26640%0.395SS..Hα-helixtrans-66.8-46.6173.596.70000110.7R4 L5 V10 S11 E12R4-S8 WeakPolarHBondContact O-CB 3.06Å; R4-S8 PolarHBondContact O-N 2.77Å; L5-S8 PolarHBondContact O-N 2.91Å; L5-S8 PolarHBondContact O-OG 2.64Å; S8-V10 PolarHBondContact O-N 3.27Å; S8-S11 PolarHBondContact O-N 2.91Å; S8-S11 PolarHBondContact O-OG 2.91Å; S8-E12 WeakPolarHBondContact CB-OE1 3.5Å; S8-E12 VanDerWaalsContact O-CB 3.25Å; S8-E12 WeakPolarHBondContact O-CB 3.16Å; S8-E12 WeakPolarHBondContact O-CG 3.37Å; S8-E12 PolarHBondContact O-N 3.35Å; S8-E12 PolarHBondContact OG-OE1 3.21Å
9M36.9Very low56.7Low127 Ų12773.9 Ų73.963%0.62638%0.379SS*.Hα-helixtrans-61.6-39.2-177.6-73.618084.700113.2L5 V6L5-M9 WeakPolarHBondContact O-CB 3.35Å; L5-M9 WeakPolarHBondContact O-CG 3.46Å; L5-M9 PolarHBondContact O-N 2.7Å; V6-M9 PolarHBondContact O-N 3.29Å
10V48.7Very low58.3Low50 Ų5077.3 Ų77.330%0.30340%0.396SS..Hα-helixtrans-74.1-37.8176.8-179.70000111.3V6 S8 E12 W286V6-V10 WeakPolarHBondContact O-CG2 3.41Å; V6-V10 PolarHBondContact O-N 2.79Å; V6-V10 VanDerWaalsContact O-N 3.1Å; S8-V10 PolarHBondContact O-N 3.27Å; V10-E12 VanDerWaalsContact C-N 3.3Å; V10-E12 PolarHBondContact O-N 3.33Å; V10-W286 HydrophobicContact CG1-CH2 3.81Å; V10-W286 HydrophobicContact CG1-CZ2 3.53Å
11S52.5Low59.8Low53 Ų5375.7 Ų75.737%0.37139%0.387SS..Hα-helixtrans-67.5-32.2175.182.30000112.7E7 S8 A13E7-S11 WeakPolarHBondContact O-CB 3.33Å; E7-S11 PolarHBondContact O-N 2.93Å; E7-S11 VanDerWaalsContact O-N 3.12Å; E7-S11 PolarHBondContact O-OG 2.79Å; S8-S11 PolarHBondContact O-N 2.91Å; S8-S11 PolarHBondContact O-OG 2.91Å; S11-A13 VanDerWaalsContact C-N 3.26Å; S11-A13 PolarHBondContact O-N 3.17Å
12E55.2Low62.6Low123 Ų12367.3 Ų67.358%0.57535%0.347SS*.Hα-helixtrans-71.4-20-175.1-82.7169.4-143.300112.8S8 V10 S38S8-E12 WeakPolarHBondContact CB-OE1 3.5Å; S8-E12 VanDerWaalsContact O-CB 3.25Å; S8-E12 WeakPolarHBondContact O-CB 3.16Å; S8-E12 WeakPolarHBondContact O-CG 3.37Å; S8-E12 PolarHBondContact O-N 3.35Å; S8-E12 PolarHBondContact OG-OE1 3.21Å; V10-E12 VanDerWaalsContact C-N 3.3Å; V10-E12 PolarHBondContact O-N 3.33Å; E12-S38 VanDerWaalsContact C-OG 3.28Å; E12-S38 WeakPolarHBondContact O-CB 3.46Å; E12-S38 PolarHBondContact O-OG 3.16Å
13A68Low65.3Low40 Ų4070 Ų7033%0.33135%0.352SS..THydrogen-bonded Turntrans-114.311-177.900000114.5S11 S38 Q262S11-A13 VanDerWaalsContact C-N 3.26Å; S11-A13 PolarHBondContact O-N 3.17Å; A13-S38 WeakPolarHBondContact CA-OG 3.39Å; A13-Q262 PolarHBondContact O-NE2 2.64Å
14L87.3Confident68.1Low9 Ų967.2 Ų67.25%0.04735%0.347CS..SBendtrans-71.2-46.7-166.3-177.967.5000114.1S38 F257 I263 I282 W286L14-S38 PolarHBondContact N-OG 2.95Å; L14-F257 HydrophobicContact CD1-CD1 4.46Å; L14-F257 HydrophobicContact CD1-CE1 4Å; L14-I263 PolarHBondContact O-N 2.87Å; L14-I282 HydrophobicContact CD2-CG2 4.44Å; L14-W286 HydrophobicContact CD1-CD2 4.23Å; L14-W286 HydrophobicContact CD1-CE3 3.97Å; L14-W286 HydrophobicContact CD2-CB 3.53Å; L14-W286 HydrophobicContact CD2-CD2 4.21Å; L14-W286 HydrophobicContact CD2-CG 3.69Å
15V95.7Very high71.1Confident1 Ų157.3 Ų57.31%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-120.5118-167.2-166.60000111.4F37 S38 I263 L265 Q279 I282V15-F37 HydrophobicContact CB-CD1 4.46Å; V15-F37 HydrophobicContact CG1-CD1 3.94Å; V15-F37 HydrophobicContact CG1-CE1 3.83Å; V15-F37 WeakPolarHBondContact O-CA 3.34Å; V15-S38 PolarHBondContact O-N 2.79Å; V15-I263 CarbonylContact C-O 3.46Å; V15-I263 WeakPolarHBondContact CA-O 3.35Å; V15-L265 HydrophobicContact CG1-CD1 4.34Å; V15-L265 HydrophobicContact CG1-CG 4.22Å; V15-Q279 HydrophobicContact CB-CG 4.29Å; V15-Q279 HydrophobicContact CG1-CG 4.3Å; V15-I282 HydrophobicContact CG2-CB 4.1Å; V15-I282 HydrophobicContact CG2-CG2 3.56Å
16G96.4Very high74.1Confident0 Ų053.7 Ų53.70%029%0.293CS..EExtended strand (participates in β ladder)trans-100.7165.2168.600000113.1F39 I263 V264 L265G16-F39 WeakPolarHBondContact CA-O 3.36Å; G16-I263 PolarHBondContact N-O 3.41Å; G16-V264 WeakPolarHBondContact O-CA 3.35Å; G16-L265 PolarHBondContact O-N 3.41Å
17L96.7Very high76.9Confident7 Ų753.1 Ų53.14%0.03729%0.292CS..EExtended strand (participates in β ladder)trans-123.5128.8175.9-179.566000110.2L19 F37 F39 L40 C41 L265 Y275L17-L19 HydrophobicContact CD2-CD2 3.67Å; L17-L19 HydrophobicContact CG-CD2 4Å; L17-F37 HydrophobicContact CB-CD1 3.71Å; L17-F37 HydrophobicContact CB-CD2 4.3Å; L17-F37 HydrophobicContact CB-CE1 3.85Å; L17-F37 HydrophobicContact CB-CE2 4.44Å; L17-F37 HydrophobicContact CB-CG 3.95Å; L17-F37 HydrophobicContact CB-CZ 4.22Å; L17-F37 HydrophobicContact CD1-CE1 4.3Å; L17-F37 HydrophobicContact CD1-CZ 4.14Å; L17-F37 HydrophobicContact CD2-CD2 4.24Å; L17-F37 HydrophobicContact CD2-CE2 4.07Å; L17-F37 HydrophobicContact CD2-CZ 4.35Å; L17-F37 HydrophobicContact CG-CZ 4.48Å; L17-F39 PolarHBondContact N-O 2.86Å; L17-F39 VanDerWaalsContact N-O 3.13Å; L17-L40 HydrophobicContact CB-CD2 3.76Å; L17-L40 HydrophobicContact CD2-CD2 4.43Å; L17-L40 HydrophobicContact CG-CD2 4.45Å; L17-L40 WeakPolarHBondContact O-CA 3.34Å; L17-C41 PolarHBondContact O-N 2.78Å; L17-L265 HydrophobicContact CD1-CB 4.22Å; L17-Y275 HydrophobicContact CD1-CD1 3.75Å; L17-Y275 HydrophobicContact CD1-CE1 3.95Å; L17-Y275 HydrophobicContact CD1-CG 4.07Å; L17-Y275 HydrophobicContact CD2-CD2 4.34Å; L17-Y275 HydrophobicContact CD2-CG 4.41Å
18D96.1Very high79.5Confident34 Ų3451.7 Ų51.718%0.18229%0.286CS..EExtended strand (participates in β ladder)trans-82.7112.2170.9179.719.7000110.1C41 K83 V264 L265 T266D18-C41 HydrophobicContact CB-CB 4.36Å; D18-K83 VanDerWaalsContact OD1-CD 3.26Å; D18-K83 WeakPolarHBondContact OD1-CD 3.33Å; D18-K83 VanDerWaalsContact OD1-CE 3.26Å; D18-K83 WeakPolarHBondContact OD1-CE 3.35Å; D18-K83 IonicContact OD1-NZ 2.68Å; D18-K83 PolarHBondContact OD1-NZ 3.2Å; D18-V264 HydrophobicContact CB-CG1 3.76Å; D18-L265 WeakPolarHBondContact CB-O 3.44Å; D18-L265 PolarHBondContact N-O 2.62Å; D18-T266 WeakPolarHBondContact OD2-CB 3.36Å; D18-T266 PolarHBondContact OD2-OG1 2.87Å
19L92.8Very high82.3Confident18 Ų1851.5 Ų51.59%0.09428%0.279CS..  trans-89.6141.2-177.5-67.4-178000111.7L17 Q28 L40 C41 I42 K83L17-L19 HydrophobicContact CD2-CD2 3.67Å; L17-L19 HydrophobicContact CG-CD2 4Å; L19-Q28 HydrophobicContact CD1-CB 3.75Å; L19-Q28 HydrophobicContact CD1-CG 4.47Å; L19-L40 HydrophobicContact CD1-CB 4.37Å; L19-L40 HydrophobicContact CD1-CD1 3.6Å; L19-L40 HydrophobicContact CD1-CD2 3.98Å; L19-L40 HydrophobicContact CD1-CG 4.21Å; L19-L40 HydrophobicContact CD2-CD2 4.34Å; L19-L40 HydrophobicContact CG-CD2 3.98Å; L19-C41 PolarHBondContact N-O 3.15Å; L19-I42 HydrophobicContact CD1-CG2 4.16Å; L19-K83 PolarHBondContact O-NZ 2.79Å
20I89.8Confident85Confident142 Ų14247.1 Ų47.173%0.72826%0.262SS*.  trans-62.4143.6158.7-59.7172000107.9T22I20-T22 PolarHBondContact O-N 3.13Å
21F89.6Confident87.1Confident44 Ų4447.6 Ų47.619%0.19327%0.267CS..  trans-44.3127.6176.7-179.3-82000112.1N23 D43 H46 P47 R64F21-N23 VanDerWaalsContact CE1-OD1 3.27Å; F21-N23 WeakPolarHBondContact CE1-OD1 3.42Å; F21-D43 HydrophobicContact CD2-CB 3.9Å; F21-D43 PolarHBondContact N-OD2 2.92Å; F21-H46 AromaticContact CD1-CD2 3.61Å; F21-H46 HydrophobicContact CD2-CB 4.28Å; F21-H46 HydrophobicContact CE1-CB 4.47Å; F21-H46 AromaticContact CE1-CD2 3.28Å; F21-H46 WeakPolarHBondContact CE1-CD2 3.43Å; F21-H46 HydrophobicContact CE2-CB 3.64Å; F21-H46 AromaticContact CE2-CD2 3.96Å; F21-H46 HydrophobicContact CZ-CB 3.77Å; F21-H46 AromaticContact CZ-CD2 3.47Å; F21-H46 VanDerWaalsContact CZ-CD2 3.47Å; F21-H46 WeakPolarHBondContact CZ-CD2 3.49Å; F21-H46 AromaticContact CZ-CG 3.97Å; F21-P47 HydrophobicContact CB-CG 3.9Å; F21-P47 HydrophobicContact CD2-CG 4.44Å; F21-P47 HydrophobicContact CG-CG 4.29Å; F21-R64 VanDerWaalsContact CE2-CZ 3.48Å; F21-R64 VanDerWaalsContact CZ-NH2 3.26Å
22T88Confident89Confident27 Ų2745.4 Ų45.417%0.16625%0.252CS..  trans-131.8146.4178.1179.60000110.3I20 D24 V25 Q28 R64I20-T22 PolarHBondContact O-N 3.13Å; T22-D24 PolarHBondContact OG1-N 3.37Å; T22-D24 VanDerWaalsContact OG1-N 3.14Å; T22-D24 PolarHBondContact OG1-O 2.91Å; T22-V25 HydrophobicContact CG2-CG2 4.26Å; T22-Q28 HydrophobicContact CG2-CB 4.34Å; T22-Q28 HydrophobicContact CG2-CG 3.82Å; T22-R64 VanDerWaalsContact O-CZ 3.25Å; T22-R64 PolarHBondContact O-NE 3.08Å; T22-R64 PolarHBondContact O-NH2 3.49Å
23N84.8Confident90.6Very high129 Ų12943.7 Ų43.769%0.6925%0.246SC*.SBendtrans-81.4-24.2169.7-73-30.5000112.4F21F21-N23 VanDerWaalsContact CE1-OD1 3.27Å; F21-N23 WeakPolarHBondContact CE1-OD1 3.42Å
24D90.1Very high91.7Very high86 Ų8646.6 Ų46.646%0.4626%0.264SS..  trans-105.377.2-178-173-4.8000110.3T22 S26 S27 Q28T22-D24 PolarHBondContact OG1-N 3.37Å; T22-D24 VanDerWaalsContact OG1-N 3.14Å; T22-D24 PolarHBondContact OG1-O 2.91Å; D24-S26 VanDerWaalsContact C-N 3.31Å; D24-S27 WeakPolarHBondContact OD1-CB 3.43Å; D24-S27 PolarHBondContact OD1-N 3.06Å; D24-S27 WeakPolarHBondContact OD2-CB 3.49Å; D24-Q28 WeakPolarHBondContact O-CG 3.34Å; D24-Q28 PolarHBondContact O-N 2.97Å
25V91.8Very high91.9Very high1 Ų147.3 Ų47.31%0.00627%0.27CS..Hα-helixtrans-64.7-38.2-179.1-178.50000110.7T22 Q28 Y29 I42 Y69 I76 L80T22-V25 HydrophobicContact CG2-CG2 4.26Å; V25-Q28 PolarHBondContact O-N 3.02Å; V25-Y29 VanDerWaalsContact O-CB 3.28Å; V25-Y29 WeakPolarHBondContact O-CB 3.25Å; V25-Y29 PolarHBondContact O-N 3.27Å; V25-I42 HydrophobicContact CG1-CD1 4.34Å; V25-Y69 HydrophobicContact CG1-CD1 4.05Å; V25-Y69 HydrophobicContact CG1-CE1 4.28Å; V25-Y69 HydrophobicContact CG2-CE1 4.25Å; V25-I76 HydrophobicContact CG1-CD1 4.23Å; V25-L80 HydrophobicContact CG1-CD1 4.32Å
26S91.6Very high91.7Very high28 Ų2848.9 Ų48.920%0.19629%0.287CS..Hα-helixtrans-67.4-39.8-175.9-158.90000112.8D24 S30 E70D24-S26 VanDerWaalsContact C-N 3.31Å; S26-S30 PolarHBondContact O-N 3Å; S26-S30 PolarHBondContact O-OG 3.29Å; S26-E70 WeakPolarHBondContact CB-O 3.43Å; S26-E70 PolarHBondContact OG-O 2.87Å
27S92.3Very high91.6Very high55 Ų5549.1 Ų49.139%0.38529%0.288SS..Hα-helixtrans-68.2-44.9174-177.30000112.1D24 Y29 S30 S31D24-S27 WeakPolarHBondContact OD1-CB 3.43Å; D24-S27 PolarHBondContact OD1-N 3.06Å; D24-S27 WeakPolarHBondContact OD2-CB 3.49Å; S27-Y29 VanDerWaalsContact C-N 3.33Å; S27-Y29 PolarHBondContact O-N 3.4Å; S27-S30 WeakPolarHBondContact O-CB 3.28Å; S27-S30 PolarHBondContact O-N 3.44Å; S27-S30 VanDerWaalsContact O-N 3.1Å; S27-S31 PolarHBondContact O-N 2.81Å
28Q92.5Very high91.4Very high74 Ų7450 Ų5035%0.34629%0.294SS..Hα-helixtrans-63.4-40177.2-67.2-56.8-45.900111.9L19 T22 D24 V25 S30 S31 A32L19-Q28 HydrophobicContact CD1-CB 3.75Å; L19-Q28 HydrophobicContact CD1-CG 4.47Å; T22-Q28 HydrophobicContact CG2-CB 4.34Å; T22-Q28 HydrophobicContact CG2-CG 3.82Å; D24-Q28 WeakPolarHBondContact O-CG 3.34Å; D24-Q28 PolarHBondContact O-N 2.97Å; V25-Q28 PolarHBondContact O-N 3.02Å; Q28-S30 VanDerWaalsContact C-N 3.33Å; Q28-S30 PolarHBondContact O-N 2.88Å; Q28-S31 PolarHBondContact O-N 2.84Å; Q28-A32 WeakPolarHBondContact O-CB 3.49Å; Q28-A32 PolarHBondContact O-N 3.41Å
29Y92.3Very high91.3Very high33 Ų3349 Ų4913%0.12929%0.288CS..Hα-helixtrans-56.6-45.7170.5174.9-102.3000112.4V25 S27 S31 A32 L33 L40 K71 I76 L80V25-Y29 VanDerWaalsContact O-CB 3.28Å; V25-Y29 WeakPolarHBondContact O-CB 3.25Å; V25-Y29 PolarHBondContact O-N 3.27Å; S27-Y29 VanDerWaalsContact C-N 3.33Å; S27-Y29 PolarHBondContact O-N 3.4Å; Y29-S31 PolarHBondContact O-N 3.48Å; Y29-A32 PolarHBondContact O-N 3.03Å; Y29-L33 HydrophobicContact CE1-CD2 4.39Å; Y29-L33 VanDerWaalsContact O-CB 3.31Å; Y29-L33 WeakPolarHBondContact O-CB 3.41Å; Y29-L33 PolarHBondContact O-N 2.84Å; Y29-L40 VanDerWaalsContact CA-CD1 3.46Å; Y29-L40 HydrophobicContact CD2-CD1 4.15Å; Y29-K71 HydrophobicContact CD1-CD 4.05Å; Y29-K71 HydrophobicContact CE1-CD 4.23Å; Y29-I76 HydrophobicContact CD1-CB 4.08Å; Y29-I76 HydrophobicContact CD1-CD1 3.9Å; Y29-I76 HydrophobicContact CD1-CG2 3.64Å; Y29-I76 HydrophobicContact CD2-CB 4.43Å; Y29-I76 HydrophobicContact CD2-CD1 4.11Å; Y29-I76 HydrophobicContact CE1-CB 3.97Å; Y29-I76 HydrophobicContact CE1-CG2 3.41Å; Y29-I76 VanDerWaalsContact CE1-CG2 3.41Å; Y29-I76 HydrophobicContact CE2-CB 4.34Å; Y29-I76 HydrophobicContact CG-CB 4.3Å; Y29-I76 HydrophobicContact CG-CD1 3.59Å; Y29-I76 HydrophobicContact CG-CG2 4.35Å; Y29-L80 HydrophobicContact CD2-CD2 4.45Å
30S92.4Very high91.5Very high36 Ų3648.3 Ų48.325%0.25228%0.284SS..Hα-helixtrans-61.9-43.7177.5-58.20000112.5S26 S27 Q28 S34 K71S26-S30 PolarHBondContact O-N 3Å; S26-S30 PolarHBondContact O-OG 3.29Å; S27-S30 WeakPolarHBondContact O-CB 3.28Å; S27-S30 PolarHBondContact O-N 3.44Å; S27-S30 VanDerWaalsContact O-N 3.1Å; Q28-S30 VanDerWaalsContact C-N 3.33Å; Q28-S30 PolarHBondContact O-N 2.88Å; S30-S34 WeakPolarHBondContact O-CB 3.24Å; S30-S34 PolarHBondContact O-N 2.85Å; S30-S34 PolarHBondContact O-OG 3.25Å; S30-K71 WeakPolarHBondContact OG-CD 3.34Å; S30-K71 WeakPolarHBondContact OG-CE 3.44Å; S30-K71 PolarHBondContact OG-NZ 3.22Å
31S92.5Very high91.8Very high60 Ų6041.8 Ų41.842%0.4225%0.251SS..Hα-helixtrans-64.3-47.1177.8-176.10000111.9S27 Q28 Y29 S34 S35S27-S31 PolarHBondContact O-N 2.81Å; Q28-S31 PolarHBondContact O-N 2.84Å; Y29-S31 PolarHBondContact O-N 3.48Å; S31-S34 PolarHBondContact O-N 2.76Å; S31-S34 PolarHBondContact O-OG 2.95Å; S31-S35 PolarHBondContact O-N 3.03Å; S31-S35 PolarHBondContact O-OG 3.16Å
32A92.4Very high92.1Very high6 Ų639.8 Ų39.85%0.0524%0.243CC..Hα-helixtrans-64.4-43.8179.700000112.2Q28 Y29 S34 S35 G36 F37 L40Q28-A32 WeakPolarHBondContact O-CB 3.49Å; Q28-A32 PolarHBondContact O-N 3.41Å; Y29-A32 PolarHBondContact O-N 3.03Å; A32-S34 VanDerWaalsContact C-N 3.31Å; A32-S34 PolarHBondContact O-N 3.03Å; A32-S35 CarbonylContact O-C 3.54Å; A32-S35 WeakPolarHBondContact O-CA 3.39Å; A32-S35 WeakPolarHBondContact O-CB 3.38Å; A32-S35 PolarHBondContact O-N 3.07Å; A32-G36 PolarHBondContact O-N 3.08Å; A32-F37 HydrophobicContact CB-CB 4.13Å; A32-F37 HydrophobicContact CB-CD2 4.26Å; A32-F37 WeakPolarHBondContact O-CB 3.18Å; A32-F37 WeakPolarHBondContact O-CD2 3.31Å; A32-F37 PolarHBondContact O-N 2.85Å; A32-L40 HydrophobicContact CB-CD1 4.09Å; A32-L40 HydrophobicContact CB-CD2 3.48Å; A32-L40 VanDerWaalsContact CB-CD2 3.48Å; A32-L40 HydrophobicContact CB-CG 4.09Å
33L89.7Confident92.4Very high88 Ų8839.7 Ų39.746%0.46124%0.241SC..Hα-helixtrans-60.4-41.9175.1-17566.4000111.4Y29 S35 G36Y29-L33 HydrophobicContact CE1-CD2 4.39Å; Y29-L33 VanDerWaalsContact O-CB 3.31Å; Y29-L33 WeakPolarHBondContact O-CB 3.41Å; Y29-L33 PolarHBondContact O-N 2.84Å; L33-S35 PolarHBondContact O-N 2.83Å; L33-G36 PolarHBondContact O-N 2.87Å; L33-G36 VanDerWaalsContact O-N 3.08Å
34S90.7Very high92.8Very high101 Ų10133.5 Ų33.571%0.70621%0.208SC*.Hα-helixtrans-65.2-23.1175.375.90000113.5S30 S31 A32 G36S30-S34 WeakPolarHBondContact O-CB 3.24Å; S30-S34 PolarHBondContact O-N 2.85Å; S30-S34 PolarHBondContact O-OG 3.25Å; S31-S34 PolarHBondContact O-N 2.76Å; S31-S34 PolarHBondContact O-OG 2.95Å; A32-S34 VanDerWaalsContact C-N 3.31Å; A32-S34 PolarHBondContact O-N 3.03Å; S34-G36 VanDerWaalsContact C-N 3.33Å
35S91.1Very high92.9Very high24 Ų2429.6 Ų29.617%0.16819%0.187CC..THydrogen-bonded Turntrans-89.33.9175.9-57.60000113.3S31 A32 L33 T276S31-S35 PolarHBondContact O-N 3.03Å; S31-S35 PolarHBondContact O-OG 3.16Å; A32-S35 CarbonylContact O-C 3.54Å; A32-S35 WeakPolarHBondContact O-CA 3.39Å; A32-S35 WeakPolarHBondContact O-CB 3.38Å; A32-S35 PolarHBondContact O-N 3.07Å; L33-S35 PolarHBondContact O-N 2.83Å; S35-T276 WeakPolarHBondContact CB-OG1 2.93Å; S35-T276 PolarHBondContact OG-OG1 2.83Å
36G91.6Very high92.8Very high34 Ų3433.2 Ų33.235%0.35120%0.204SC..THydrogen-bonded Turntrans86.29.4177.600000115.2A32 L33 S34 Q279A32-G36 PolarHBondContact O-N 3.08Å; L33-G36 PolarHBondContact O-N 2.87Å; L33-G36 VanDerWaalsContact O-N 3.08Å; S34-G36 VanDerWaalsContact C-N 3.33Å; G36-Q279 PolarHBondContact O-NE2 2.88Å
37F94.7Very high92.4Very high5 Ų534.4 Ų34.42%0.02221%0.211CC..  trans-77.6137.5173.8-67.6-78.2000111.3V15 L17 A32 L265 Q279V15-F37 HydrophobicContact CB-CD1 4.46Å; V15-F37 HydrophobicContact CG1-CD1 3.94Å; V15-F37 HydrophobicContact CG1-CE1 3.83Å; V15-F37 WeakPolarHBondContact O-CA 3.34Å; L17-F37 HydrophobicContact CB-CD1 3.71Å; L17-F37 HydrophobicContact CB-CD2 4.3Å; L17-F37 HydrophobicContact CB-CE1 3.85Å; L17-F37 HydrophobicContact CB-CE2 4.44Å; L17-F37 HydrophobicContact CB-CG 3.95Å; L17-F37 HydrophobicContact CB-CZ 4.22Å; L17-F37 HydrophobicContact CD1-CE1 4.3Å; L17-F37 HydrophobicContact CD1-CZ 4.14Å; L17-F37 HydrophobicContact CD2-CD2 4.24Å; L17-F37 HydrophobicContact CD2-CE2 4.07Å; L17-F37 HydrophobicContact CD2-CZ 4.35Å; L17-F37 HydrophobicContact CG-CZ 4.48Å; A32-F37 HydrophobicContact CB-CB 4.13Å; A32-F37 HydrophobicContact CB-CD2 4.26Å; A32-F37 WeakPolarHBondContact O-CB 3.18Å; A32-F37 WeakPolarHBondContact O-CD2 3.31Å; A32-F37 PolarHBondContact O-N 2.85Å; F37-L265 HydrophobicContact CE1-CD1 3.86Å; F37-L265 HydrophobicContact CE1-CG 4.46Å; F37-L265 HydrophobicContact CZ-CD1 4.08Å; F37-Q279 HydrophobicContact CD1-CB 4.45Å; F37-Q279 HydrophobicContact CD1-CG 4.07Å; F37-Q279 HydrophobicContact CE1-CB 3.85Å; F37-Q279 HydrophobicContact CE1-CG 3.97Å; F37-Q279 HydrophobicContact CE2-CB 4.18Å; F37-Q279 HydrophobicContact CE2-CG 4.46Å; F37-Q279 HydrophobicContact CG-CG 4.38Å; F37-Q279 HydrophobicContact CZ-CB 3.69Å; F37-Q279 HydrophobicContact CZ-CG 4.17Å
38S92.2Very high91.8Very high25 Ų2540 Ų4018%0.17523%0.228CC..  trans-84.9-33.8-175.5-55.30000113.6E12 A13 L14 V15E12-S38 VanDerWaalsContact C-OG 3.28Å; E12-S38 WeakPolarHBondContact O-CB 3.46Å; E12-S38 PolarHBondContact O-OG 3.16Å; A13-S38 WeakPolarHBondContact CA-OG 3.39Å; L14-S38 PolarHBondContact N-OG 2.95Å; V15-S38 PolarHBondContact O-N 2.79Å
39F94.9Very high90.6Very high14 Ų1438.4 Ų38.46%0.06123%0.225CC..EExtended strand (participates in β ladder)trans-151.8166-178.867.2-86000111.2G16 L17 S79 V81 W150 Q262 V264G16-F39 WeakPolarHBondContact CA-O 3.36Å; L17-F39 PolarHBondContact N-O 2.86Å; L17-F39 VanDerWaalsContact N-O 3.13Å; F39-S79 CarbonylContact C-O 3.55Å; F39-S79 WeakPolarHBondContact CA-O 3.27Å; F39-S79 VanDerWaalsContact CB-O 3.26Å; F39-S79 WeakPolarHBondContact CB-O 3.5Å; F39-V81 HydrophobicContact CD2-CG2 3.78Å; F39-V81 HydrophobicContact CE2-CG2 4.11Å; F39-W150 HydrophobicContact CE2-CH2 4.19Å; F39-W150 HydrophobicContact CE2-CZ3 4.1Å; F39-W150 HydrophobicContact CZ-CH2 4.31Å; F39-W150 HydrophobicContact CZ-CZ3 4.43Å; F39-Q262 HydrophobicContact CE1-CB 4.22Å; F39-Q262 HydrophobicContact CE1-CG 4.49Å; F39-Q262 HydrophobicContact CZ-CB 4.24Å; F39-V264 HydrophobicContact CE2-CG2 3.46Å; F39-V264 VanDerWaalsContact CE2-CG2 3.46Å; F39-V264 HydrophobicContact CZ-CG2 3.53Å
40L95.8Very high89Confident2 Ų242.6 Ų42.61%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-126.9137.3179.8-67.5178.2000111.7L17 L19 Y29 A32 I42 S79 L80 V81L17-L40 HydrophobicContact CB-CD2 3.76Å; L17-L40 HydrophobicContact CD2-CD2 4.43Å; L17-L40 HydrophobicContact CG-CD2 4.45Å; L17-L40 WeakPolarHBondContact O-CA 3.34Å; L19-L40 HydrophobicContact CD1-CB 4.37Å; L19-L40 HydrophobicContact CD1-CD1 3.6Å; L19-L40 HydrophobicContact CD1-CD2 3.98Å; L19-L40 HydrophobicContact CD1-CG 4.21Å; L19-L40 HydrophobicContact CD2-CD2 4.34Å; L19-L40 HydrophobicContact CG-CD2 3.98Å; Y29-L40 VanDerWaalsContact CA-CD1 3.46Å; Y29-L40 HydrophobicContact CD2-CD1 4.15Å; A32-L40 HydrophobicContact CB-CD1 4.09Å; A32-L40 HydrophobicContact CB-CD2 3.48Å; A32-L40 VanDerWaalsContact CB-CD2 3.48Å; A32-L40 HydrophobicContact CB-CG 4.09Å; L40-I42 HydrophobicContact CB-CG2 4.24Å; L40-S79 PolarHBondContact N-O 3.05Å; L40-L80 HydrophobicContact CB-CD2 3.84Å; L40-L80 HydrophobicContact CD1-CD2 4.37Å; L40-L80 CarbonylContact O-C 3.57Å; L40-L80 WeakPolarHBondContact O-CA 3.29Å; L40-V81 PolarHBondContact O-N 2.74Å
41C96.9Very high87.3Confident5 Ų543.2 Ų43.23%0.03425%0.249CC..EExtended strand (participates in β ladder)trans-90.8125.2165.4-560000109.1L17 D18 L19 V81 K83L17-C41 PolarHBondContact O-N 2.78Å; D18-C41 HydrophobicContact CB-CB 4.36Å; L19-C41 PolarHBondContact N-O 3.15Å; C41-V81 CarbonylContact C-O 3.58Å; C41-V81 VanDerWaalsContact CA-O 3.32Å; C41-V81 WeakPolarHBondContact CA-O 3.3Å; C41-K83 HydrophobicContact CB-CD 4.01Å; C41-K83 HydrophobicContact CB-CG 4Å
42I95.7Very high85.3Confident3 Ų349.3 Ų49.32%0.01527%0.271CS..EExtended strand (participates in β ladder)trans-132.7139.2-173.352148.7000111.8L19 V25 L40 L44 Y69 L80 V81 K83L19-I42 HydrophobicContact CD1-CG2 4.16Å; V25-I42 HydrophobicContact CG1-CD1 4.34Å; L40-I42 HydrophobicContact CB-CG2 4.24Å; I42-L44 PolarHBondContact O-N 3.01Å; I42-Y69 HydrophobicContact CD1-CD1 4.02Å; I42-Y69 HydrophobicContact CD1-CE1 3.4Å; I42-Y69 VanDerWaalsContact CD1-CE1 3.4Å; I42-L80 HydrophobicContact CD1-CB 4.41Å; I42-L80 HydrophobicContact CD1-CD1 3.86Å; I42-L80 HydrophobicContact CD1-CG 4.5Å; I42-L80 HydrophobicContact CG1-CB 4.4Å; I42-V81 PolarHBondContact N-O 3.33Å; I42-K83 VanDerWaalsContact C-CE 3.49Å; I42-K83 PolarHBondContact O-N 2.86Å
43D94.9Very high83.2Confident24 Ų2453.7 Ų53.713%0.12829%0.293CS..EExtended strand (participates in β ladder)trans-67.7123173.4-58.1-61.5000110.3F21 F45 R64 K83F21-D43 HydrophobicContact CD2-CB 3.9Å; F21-D43 PolarHBondContact N-OD2 2.92Å; D43-F45 VanDerWaalsContact C-N 3.33Å; D43-F45 WeakPolarHBondContact CB-O 3.48Å; D43-R64 PolarHBondContact O-NH1 3.18Å; D43-R64 PolarHBondContact O-NH2 3.09Å; D43-K83 WeakPolarHBondContact OD1-CE 3.31Å; D43-K83 IonicContact OD1-NZ 2.86Å; D43-K83 PolarHBondContact OD1-NZ 3.35Å; D43-K83 IonicContact OD2-NZ 3.43Å; D43-K83 PolarHBondContact OD2-NZ 3.5Å
44L93.4Very high81.2Confident0 Ų055.8 Ų55.80%030%0.304CS..SBendtrans-68.8-36.4179.2-64.4-176000111.7I42 K83 L84 A112 L115 L117 V120I42-L44 PolarHBondContact O-N 3.01Å; L44-K83 PolarHBondContact N-O 2.77Å; L44-L84 HydrophobicContact CD1-CD2 3.82Å; L44-A112 HydrophobicContact CD1-CB 3.83Å; L44-L115 HydrophobicContact CD2-CD1 4.37Å; L44-L117 HydrophobicContact CD2-CD1 3.66Å; L44-V120 HydrophobicContact CD1-CG1 4.43Å
45F91.8Very high79.2Confident4 Ų453.2 Ų53.22%0.01829%0.287CS..SBendtrans-120.6160.3177.5-68.1-99000109.6D43 P61 P63 K107 E108 W111D43-F45 VanDerWaalsContact C-N 3.33Å; D43-F45 WeakPolarHBondContact CB-O 3.48Å; F45-P61 HydrophobicContact CD1-CB 4.39Å; F45-P61 HydrophobicContact CD1-CG 4.02Å; F45-P61 VanDerWaalsContact CD1-O 3.31Å; F45-P61 WeakPolarHBondContact CD1-O 3.33Å; F45-P61 WeakPolarHBondContact CE1-O 3.34Å; F45-P63 HydrophobicContact CD1-CB 4.23Å; F45-P63 HydrophobicContact CE1-CB 3.68Å; F45-P63 HydrophobicContact CE1-CG 3.98Å; F45-P63 HydrophobicContact CE2-CB 4.29Å; F45-P63 HydrophobicContact CZ-CB 3.71Å; F45-P63 HydrophobicContact CZ-CG 3.98Å; F45-K107 HydrophobicContact CE1-CD 4.46Å; F45-K107 HydrophobicContact CZ-CG 4.26Å; F45-E108 HydrophobicContact CD2-CB 4.15Å; F45-E108 VanDerWaalsContact CD2-CD 3.47Å; F45-E108 HydrophobicContact CD2-CG 3.46Å; F45-E108 VanDerWaalsContact CD2-CG 3.46Å; F45-E108 HydrophobicContact CE2-CB 3.86Å; F45-E108 HydrophobicContact CE2-CG 3.47Å; F45-E108 VanDerWaalsContact CE2-CG 3.47Å; F45-E108 HydrophobicContact CG-CG 4.32Å; F45-E108 HydrophobicContact CZ-CG 4.28Å; F45-W111 HydrophobicContact CE2-CB 4.27Å; F45-W111 HydrophobicContact CE2-CG 4.33Å; F45-W111 HydrophobicContact CZ-CB 4.29Å; F45-W111 HydrophobicContact CZ-CG 4.3Å
46H89.7Confident77.3Confident76 Ų7660.4 Ų60.435%0.35232%0.321SS..  trans-67.8128.8178.1-177.2-75.6000110.4F21 K48 S49F21-H46 AromaticContact CD1-CD2 3.61Å; F21-H46 HydrophobicContact CD2-CB 4.28Å; F21-H46 HydrophobicContact CE1-CB 4.47Å; F21-H46 AromaticContact CE1-CD2 3.28Å; F21-H46 WeakPolarHBondContact CE1-CD2 3.43Å; F21-H46 HydrophobicContact CE2-CB 3.64Å; F21-H46 AromaticContact CE2-CD2 3.96Å; F21-H46 HydrophobicContact CZ-CB 3.77Å; F21-H46 AromaticContact CZ-CD2 3.47Å; F21-H46 VanDerWaalsContact CZ-CD2 3.47Å; F21-H46 WeakPolarHBondContact CZ-CD2 3.49Å; F21-H46 AromaticContact CZ-CG 3.97Å; H46-K48 PolarHBondContact ND1-N 2.91Å; H46-K48 VanDerWaalsContact ND1-N 3.11Å; H46-K48 PolarHBondContact O-N 3.43Å; H46-K48 VanDerWaalsContact O-N 3.09Å; H46-S49 WeakPolarHBondContact CB-OG 3.49Å; H46-S49 VanDerWaalsContact O-CB 3.28Å; H46-S49 WeakPolarHBondContact O-CB 3.49Å; H46-S49 PolarHBondContact O-N 3.01Å
47P83Confident75.3Confident53 Ų5364.6 Ų64.634%0.34434%0.34SS..THydrogen-bonded Turntrans-66.3-20.7-169.625-35.8000113.7F21F21-P47 HydrophobicContact CB-CG 3.9Å; F21-P47 HydrophobicContact CD2-CG 4.44Å; F21-P47 HydrophobicContact CG-CG 4.29Å
48K79Confident73.4Confident172 Ų17266.3 Ų66.375%0.74835%0.353SS*.THydrogen-bonded Turntrans-97.57.2174.2-49.8-177.1174.81790114.2H46 I50H46-K48 PolarHBondContact ND1-N 2.91Å; H46-K48 VanDerWaalsContact ND1-N 3.11Å; H46-K48 PolarHBondContact O-N 3.43Å; H46-K48 VanDerWaalsContact O-N 3.09Å; K48-I50 PolarHBondContact O-N 2.89Å
49S68.2Low71.7Confident41 Ų4170.8 Ų70.829%0.28738%0.379SS..  trans-74.479.6172.9-71.40000109.3H46 P61H46-S49 WeakPolarHBondContact CB-OG 3.49Å; H46-S49 VanDerWaalsContact O-CB 3.28Å; H46-S49 WeakPolarHBondContact O-CB 3.49Å; H46-S49 PolarHBondContact O-N 3.01Å; S49-P61 VanDerWaalsContact CB-CB 3.43Å
50I58.4Low70.2Confident121 Ų12170.8 Ų70.862%0.62138%0.383SS*.  trans-75.9135.1173-60.2169.8000106.6K48 E52K48-I50 PolarHBondContact O-N 2.89Å; I50-E52 PolarHBondContact O-N 2.97Å
51L56.1Low69.1Low50 Ų5072.1 Ų72.126%0.26239%0.392SS..  trans-60.891.4166-86118.9000108D53 L104L51-D53 PolarHBondContact O-N 3.05Å; L51-L104 HydrophobicContact CD1-CD2 4.34Å
52E51.8Low68.4Low188 Ų18878.2 Ų78.288%0.87942%0.424SS*.  trans-72.4-5.9174.3-77.4-173.4162.700112.3I50I50-E52 PolarHBondContact O-N 2.97Å
53D47.9Very low68.1Low97 Ų9779.8 Ų79.852%0.51943%0.434SS..  trans-129.5102.3-179.6-126.5-28.4000111.5L51 S55 S58L51-D53 PolarHBondContact O-N 3.05Å; D53-S55 PolarHBondContact O-N 2.68Å; D53-S55 VanDerWaalsContact O-N 3.13Å; D53-S58 PolarHBondContact O-OG 3.2Å
54L48.4Very low67.9Low132 Ų13280.1 Ų80.169%0.69143%0.434SS*.  trans-72.114.4170.5-80.1162.6000112.5
55S47.8Very low67.8Low48 Ų4883 Ų8334%0.33645%0.454SS..SBendtrans-73.6134.517262.90000109.7D53 T57 S58D53-S55 PolarHBondContact O-N 2.68Å; D53-S55 VanDerWaalsContact O-N 3.13Å; S55-T57 PolarHBondContact O-N 2.68Å; S55-S58 PolarHBondContact O-N 2.66Å; S55-S58 VanDerWaalsContact O-N 3.07Å
56I50.6Low67.8Low175 Ų17585.9 Ų85.990%0.89747%0.469SS*.THydrogen-bonded Turntrans-56.3-9.4-177-63.8167.3000112.8
57T49.8Very low67.9Low121 Ų12189 Ų8974%0.74248%0.482SS*.THydrogen-bonded Turntrans-105.3-6.4-175.650.80000114.8S55 V59S55-T57 PolarHBondContact O-N 2.68Å; T57-V59 PolarHBondContact O-N 3.44Å
58S54.4Low68.3Low41 Ų4188 Ų8829%0.28748%0.478SS..  trans-78.7104.8-179.2149.40000110.2D53 S55 G60D53-S58 PolarHBondContact O-OG 3.2Å; S55-S58 PolarHBondContact O-N 2.66Å; S55-S58 VanDerWaalsContact O-N 3.07Å; S58-G60 PolarHBondContact O-N 2.89Å
59V57.8Low68.9Low119 Ų11979.9 Ų79.972%0.72144%0.443SS*.  trans-66.6115.1167.3-172.90000105T57T57-V59 PolarHBondContact O-N 3.44Å
60G62.3Low70Confident15 Ų1581.5 Ų81.516%0.15545%0.446CS..  trans-52.1179.9-176.400000113.8S58 D62 K107S58-G60 PolarHBondContact O-N 2.89Å; G60-D62 PolarHBondContact O-N 3.47Å; G60-K107 PolarHBondContact O-NZ 3.45Å
61P73.4Confident71.4Confident29 Ų2978.6 Ų78.619%0.18843%0.429CS..PPolyproline II helixtrans-52.6144-171.225.1-36000112.7F45 S49 K107F45-P61 HydrophobicContact CD1-CB 4.39Å; F45-P61 HydrophobicContact CD1-CG 4.02Å; F45-P61 VanDerWaalsContact CD1-O 3.31Å; F45-P61 WeakPolarHBondContact CD1-O 3.33Å; F45-P61 WeakPolarHBondContact CE1-O 3.34Å; S49-P61 VanDerWaalsContact CB-CB 3.43Å; P61-K107 WeakPolarHBondContact O-CE 3.23Å; P61-K107 PolarHBondContact O-NZ 2.9Å
62D82.6Confident72.9Confident134 Ų13483.6 Ų83.672%0.71746%0.456SS*.PPolyproline II helixtrans-78.5139.5175-71.5-32.3000110.6G60 K107G60-D62 PolarHBondContact O-N 3.47Å; D62-K107 IonicContact OD1-NZ 3.3Å
63P89.1Confident74.6Confident35 Ų3577.6 Ų77.623%0.22745%0.445CS..PPolyproline II helixtrans-72.7172.8174.432.1-31.2000110.3F45 W111F45-P63 HydrophobicContact CD1-CB 4.23Å; F45-P63 HydrophobicContact CE1-CB 3.68Å; F45-P63 HydrophobicContact CE1-CG 3.98Å; F45-P63 HydrophobicContact CE2-CB 4.29Å; F45-P63 HydrophobicContact CZ-CB 3.71Å; F45-P63 HydrophobicContact CZ-CG 3.98Å; P63-W111 HydrophobicContact CB-CD2 4.1Å; P63-W111 HydrophobicContact CB-CG 4.26Å; P63-W111 HydrophobicContact CB-CZ2 4.09Å; P63-W111 HydrophobicContact CG-CD2 3.7Å; P63-W111 HydrophobicContact CG-CE3 4.07Å; P63-W111 HydrophobicContact CG-CG 4.18Å; P63-W111 HydrophobicContact CG-CH2 4.21Å; P63-W111 HydrophobicContact CG-CZ2 3.85Å; P63-W111 HydrophobicContact CG-CZ3 4.3Å
64R90.3Very high76.6Confident32 Ų3280.6 Ų80.612%0.12145%0.453CS..PPolyproline II helixtrans-60.9150162.3-56.4178.1-160.180.2-10.2108.6F21 T22 D43 A68 W111F21-R64 VanDerWaalsContact CE2-CZ 3.48Å; F21-R64 VanDerWaalsContact CZ-NH2 3.26Å; T22-R64 VanDerWaalsContact O-CZ 3.25Å; T22-R64 PolarHBondContact O-NE 3.08Å; T22-R64 PolarHBondContact O-NH2 3.49Å; D43-R64 PolarHBondContact O-NH1 3.18Å; D43-R64 PolarHBondContact O-NH2 3.09Å; R64-A68 HydrophobicContact CB-CB 3.97Å; R64-W111 WeakPolarHBondContact O-CZ2 3.36Å
65S91.7Very high78.6Confident60 Ų6077.6 Ų77.642%0.4244%0.443SS..PPolyproline II helixtrans-57.5146.4168.9162.10000110.4F67 A68S65-F67 PolarHBondContact O-N 3.2Å; S65-F67 VanDerWaalsContact OG-CD2 3.25Å; S65-F67 WeakPolarHBondContact OG-CD2 3.36Å; S65-F67 PolarHBondContact OG-N 2.98Å; S65-F67 VanDerWaalsContact OG-N 3.17Å; S65-A68 WeakPolarHBondContact O-CB 3.46Å; S65-A68 PolarHBondContact O-N 3.4Å
66D91.8Very high80.8Confident64 Ų6475.7 Ų75.734%0.34243%0.429SS..G310 helixtrans-47.6-35.7168.457.6-28.7000113.5A68 Y69 W111 L115D66-A68 PolarHBondContact O-N 3.45Å; D66-A68 VanDerWaalsContact O-N 3.12Å; D66-Y69 WeakPolarHBondContact O-CD2 3.41Å; D66-Y69 PolarHBondContact O-N 3.43Å; D66-W111 HydrophobicContact CB-CH2 4.23Å; D66-L115 HydrophobicContact CB-CD2 3.94Å
67F91.2Very high82.8Confident142 Ų14268 Ų6862%0.62339%0.39SS*.G310 helixtrans-60.3-20.3173.8-64-60.5000114.2S65 Y69 E70S65-F67 PolarHBondContact O-N 3.2Å; S65-F67 VanDerWaalsContact OG-CD2 3.25Å; S65-F67 WeakPolarHBondContact OG-CD2 3.36Å; S65-F67 PolarHBondContact OG-N 2.98Å; S65-F67 VanDerWaalsContact OG-N 3.17Å; F67-Y69 PolarHBondContact O-N 3Å; F67-E70 PolarHBondContact O-N 3.22Å
68A91.4Very high84.8Confident32 Ų3271 Ų7126%0.26439%0.393SS..G310 helixtrans-68.1-16.1174.800000112.9R64 S65 D66R64-A68 HydrophobicContact CB-CB 3.97Å; S65-A68 WeakPolarHBondContact O-CB 3.46Å; S65-A68 PolarHBondContact O-N 3.4Å; D66-A68 PolarHBondContact O-N 3.45Å; D66-A68 VanDerWaalsContact O-N 3.12Å
69Y92.1Very high86.6Confident1 Ų170.6 Ų70.60%0.00439%0.39CS..G310 helixtrans-101.525.5179.1-51-79.6000112.3V25 I42 D66 F67 I76 T77 L80 L115V25-Y69 HydrophobicContact CG1-CD1 4.05Å; V25-Y69 HydrophobicContact CG1-CE1 4.28Å; V25-Y69 HydrophobicContact CG2-CE1 4.25Å; I42-Y69 HydrophobicContact CD1-CD1 4.02Å; I42-Y69 HydrophobicContact CD1-CE1 3.4Å; I42-Y69 VanDerWaalsContact CD1-CE1 3.4Å; D66-Y69 WeakPolarHBondContact O-CD2 3.41Å; D66-Y69 PolarHBondContact O-N 3.43Å; F67-Y69 PolarHBondContact O-N 3Å; Y69-I76 WeakPolarHBondContact O-CG1 3.16Å; Y69-I76 PolarHBondContact O-N 2.93Å; Y69-T77 HydrophobicContact CG-CG2 4.44Å; Y69-L80 HydrophobicContact CD1-CD1 3.65Å; Y69-L80 HydrophobicContact CE1-CD1 4.42Å; Y69-L80 HydrophobicContact CG-CD1 4.5Å; Y69-L115 HydrophobicContact CD2-CD1 4.02Å; Y69-L115 HydrophobicContact CD2-CD2 3.6Å; Y69-L115 HydrophobicContact CD2-CG 4.47Å; Y69-L115 HydrophobicContact CE1-CD1 4.48Å; Y69-L115 HydrophobicContact CE2-CD1 3.66Å; Y69-L115 HydrophobicContact CE2-CD2 3.8Å; Y69-L115 HydrophobicContact CE2-CG 4.41Å; Y69-L115 HydrophobicContact CG-CD2 4.46Å
70E91.5Very high88.4Confident76 Ų7665 Ų6536%0.35536%0.356SS..EExtended strand (participates in β ladder)trans-110.4148.5173.1-64.6-169.2171.800112.3S26 F67 K74S26-E70 WeakPolarHBondContact CB-O 3.43Å; S26-E70 PolarHBondContact OG-O 2.87Å; F67-E70 PolarHBondContact O-N 3.22Å; E70-K74 WeakPolarHBondContact CA-O 3.36Å
71K87.9Confident90.1Very high60 Ų6064.4 Ų64.426%0.26135%0.35SS..EExtended strand (participates in β ladder)trans-135.4118.7168.6-177.6176.3172.61780108.6Y29 S30 G73 K74 I76Y29-K71 HydrophobicContact CD1-CD 4.05Å; Y29-K71 HydrophobicContact CE1-CD 4.23Å; S30-K71 WeakPolarHBondContact OG-CD 3.34Å; S30-K71 WeakPolarHBondContact OG-CE 3.44Å; S30-K71 PolarHBondContact OG-NZ 3.22Å; K71-G73 VanDerWaalsContact C-N 3.27Å; K71-G73 PolarHBondContact O-N 2.82Å; K71-K74 PolarHBondContact N-O 2.73Å; K71-K74 PolarHBondContact O-N 2.94Å; K71-K74 VanDerWaalsContact O-N 3.11Å; K71-I76 HydrophobicContact CB-CG2 3.69Å
72N87.6Confident91.2Very high154 Ų15463 Ų6382%0.82434%0.341SS*.THydrogen-bonded Turntrans53.341.8-177.5-56.7-27.4000113K74N72-K74 PolarHBondContact O-N 3.11Å
73G86.1Confident91.9Very high63 Ų6358.2 Ų58.265%0.64931%0.313SS*.THydrogen-bonded Turntrans70.414.1-179.600000114.9K71K71-G73 VanDerWaalsContact C-N 3.27Å; K71-G73 PolarHBondContact O-N 2.82Å
74K89.8Confident92.1Very high160 Ų16057 Ų5770%0.69631%0.305SS*.EExtended strand (participates in β ladder)trans-116.5132.8173.6-64.4-176.9-179.6-179.20109.4E70 K71 N72 I76E70-K74 WeakPolarHBondContact CA-O 3.36Å; K71-K74 PolarHBondContact N-O 2.73Å; K71-K74 PolarHBondContact O-N 2.94Å; K71-K74 VanDerWaalsContact O-N 3.11Å; N72-K74 PolarHBondContact O-N 3.11Å; K74-I76 PolarHBondContact O-N 2.87Å
75S92Very high92.3Very high68 Ų6856.3 Ų56.348%0.47631%0.305SS..EExtended strand (participates in β ladder)trans-61.3133.9171.8172.30000110.8T77S75-T77 WeakPolarHBondContact OG-CB 3.49Å; S75-T77 WeakPolarHBondContact OG-CG2 3.39Å; S75-T77 PolarHBondContact OG-N 2.79Å; S75-T77 VanDerWaalsContact OG-N 3.13Å; S75-T77 PolarHBondContact OG-OG1 2.86Å
76I93.6Very high92.2Very high9 Ų958.8 Ų58.85%0.04632%0.318CS..  trans-96.83.1172.757.5158.1000112.3V25 Y29 Y69 K71 K74 K78 S79 L80V25-I76 HydrophobicContact CG1-CD1 4.23Å; Y29-I76 HydrophobicContact CD1-CB 4.08Å; Y29-I76 HydrophobicContact CD1-CD1 3.9Å; Y29-I76 HydrophobicContact CD1-CG2 3.64Å; Y29-I76 HydrophobicContact CD2-CB 4.43Å; Y29-I76 HydrophobicContact CD2-CD1 4.11Å; Y29-I76 HydrophobicContact CE1-CB 3.97Å; Y29-I76 HydrophobicContact CE1-CG2 3.41Å; Y29-I76 VanDerWaalsContact CE1-CG2 3.41Å; Y29-I76 HydrophobicContact CE2-CB 4.34Å; Y29-I76 HydrophobicContact CG-CB 4.3Å; Y29-I76 HydrophobicContact CG-CD1 3.59Å; Y29-I76 HydrophobicContact CG-CG2 4.35Å; Y69-I76 WeakPolarHBondContact O-CG1 3.16Å; Y69-I76 PolarHBondContact O-N 2.93Å; K71-I76 HydrophobicContact CB-CG2 3.69Å; K74-I76 PolarHBondContact O-N 2.87Å; I76-K78 VanDerWaalsContact C-N 3.25Å; I76-K78 PolarHBondContact O-N 2.97Å; I76-K78 VanDerWaalsContact O-N 3.14Å; I76-S79 PolarHBondContact O-N 2.74Å; I76-L80 HydrophobicContact CD1-CD1 4.07Å; I76-L80 HydrophobicContact CD1-CD2 4.48Å; I76-L80 HydrophobicContact CG1-CD1 4.09Å
77T93.2Very high92.1Very high12 Ų1259.5 Ų59.57%0.07432%0.324CS..G310 helixtrans-61.6-27-170.560.40000114.3Y69 S75 S79 L80 L115 L117 P118Y69-T77 HydrophobicContact CG-CG2 4.44Å; S75-T77 WeakPolarHBondContact OG-CB 3.49Å; S75-T77 WeakPolarHBondContact OG-CG2 3.39Å; S75-T77 PolarHBondContact OG-N 2.79Å; S75-T77 VanDerWaalsContact OG-N 3.13Å; S75-T77 PolarHBondContact OG-OG1 2.86Å; T77-S79 PolarHBondContact O-N 2.86Å; T77-S79 VanDerWaalsContact O-N 3.17Å; T77-L80 PolarHBondContact O-N 3.32Å; T77-L115 WeakPolarHBondContact CB-O 3.38Å; T77-L115 HydrophobicContact CG2-CB 4.34Å; T77-L115 WeakPolarHBondContact CG2-O 3.4Å; T77-L115 PolarHBondContact OG1-O 2.89Å; T77-L117 HydrophobicContact CG2-CD2 4.27Å; T77-P118 WeakPolarHBondContact O-CD 3.36Å
78K91.2Very high92.1Very high186 Ų18653.9 Ų53.981%0.80930%0.301SS*.G310 helixtrans-61.8-20.9174.3-67.7-173.7177.4-176.80114.2I76I76-K78 VanDerWaalsContact C-N 3.25Å; I76-K78 PolarHBondContact O-N 2.97Å; I76-K78 VanDerWaalsContact O-N 3.14Å
79S92.8Very high92.2Very high32 Ų3254.5 Ų54.522%0.22430%0.299CS..G310 helixtrans-106.916.1177.5-60.90000112.1F39 L40 I76 T77F39-S79 CarbonylContact C-O 3.55Å; F39-S79 WeakPolarHBondContact CA-O 3.27Å; F39-S79 VanDerWaalsContact CB-O 3.26Å; F39-S79 WeakPolarHBondContact CB-O 3.5Å; L40-S79 PolarHBondContact N-O 3.05Å; I76-S79 PolarHBondContact O-N 2.74Å; T77-S79 PolarHBondContact O-N 2.86Å; T77-S79 VanDerWaalsContact O-N 3.17Å
80L95.1Very high92.3Very high0 Ų054.8 Ų54.80%030%0.301CS..EExtended strand (participates in β ladder)trans-118.5144.8-179.1-59.5-179.2000110.6V25 Y29 L40 I42 Y69 I76 T77 L117 P118V25-L80 HydrophobicContact CG1-CD1 4.32Å; Y29-L80 HydrophobicContact CD2-CD2 4.45Å; L40-L80 HydrophobicContact CB-CD2 3.84Å; L40-L80 HydrophobicContact CD1-CD2 4.37Å; L40-L80 CarbonylContact O-C 3.57Å; L40-L80 WeakPolarHBondContact O-CA 3.29Å; I42-L80 HydrophobicContact CD1-CB 4.41Å; I42-L80 HydrophobicContact CD1-CD1 3.86Å; I42-L80 HydrophobicContact CD1-CG 4.5Å; I42-L80 HydrophobicContact CG1-CB 4.4Å; Y69-L80 HydrophobicContact CD1-CD1 3.65Å; Y69-L80 HydrophobicContact CE1-CD1 4.42Å; Y69-L80 HydrophobicContact CG-CD1 4.5Å; I76-L80 HydrophobicContact CD1-CD1 4.07Å; I76-L80 HydrophobicContact CD1-CD2 4.48Å; I76-L80 HydrophobicContact CG1-CD1 4.09Å; T77-L80 PolarHBondContact O-N 3.32Å; L80-L117 HydrophobicContact CB-CD2 3.71Å; L80-P118 VanDerWaalsContact O-CD 3.25Å; L80-P118 WeakPolarHBondContact O-CD 3.48Å; L80-P118 WeakPolarHBondContact O-CG 3.37Å
81V96.7Very high92.5Very high4 Ų451.9 Ų51.92%0.02429%0.288CS..EExtended strand (participates in β ladder)trans-120.1122.9170.5177.80000107.4F39 L40 C41 I42 A119 V121 W150F39-V81 HydrophobicContact CD2-CG2 3.78Å; F39-V81 HydrophobicContact CE2-CG2 4.11Å; L40-V81 PolarHBondContact O-N 2.74Å; C41-V81 CarbonylContact C-O 3.58Å; C41-V81 VanDerWaalsContact CA-O 3.32Å; C41-V81 WeakPolarHBondContact CA-O 3.3Å; I42-V81 PolarHBondContact N-O 3.33Å; V81-A119 WeakPolarHBondContact CA-O 3.25Å; V81-A119 HydrophobicContact CG1-CB 4.21Å; V81-A119 HydrophobicContact CG2-CB 4.44Å; V81-V121 HydrophobicContact CG1-CB 4.41Å; V81-V121 HydrophobicContact CG1-CG2 3.35Å; V81-W150 HydrophobicContact CG1-CE3 4.03Å; V81-W150 HydrophobicContact CG1-CZ3 4.22Å; V81-W150 HydrophobicContact CG2-CH2 4.1Å; V81-W150 HydrophobicContact CG2-CZ3 4.02Å
82G96.9Very high92.8Very high0 Ų049.3 Ų49.30%028%0.278CS..EExtended strand (participates in β ladder)trans-81.8119.1-175.400000112A119 V120 V121G82-A119 PolarHBondContact N-O 2.66Å; G82-V120 CarbonylContact O-C 3.5Å; G82-V120 WeakPolarHBondContact O-CA 3.4Å; G82-V121 PolarHBondContact O-N 2.75Å
83K96.9Very high93.1Very high33 Ų3349.2 Ų49.214%0.14328%0.277CS..EExtended strand (participates in β ladder)trans-84.4126171.9-62.1-176-68.9172.20109.5D18 L19 C41 I42 D43 L44D18-K83 VanDerWaalsContact OD1-CD 3.26Å; D18-K83 WeakPolarHBondContact OD1-CD 3.33Å; D18-K83 VanDerWaalsContact OD1-CE 3.26Å; D18-K83 WeakPolarHBondContact OD1-CE 3.35Å; D18-K83 IonicContact OD1-NZ 2.68Å; D18-K83 PolarHBondContact OD1-NZ 3.2Å; L19-K83 PolarHBondContact O-NZ 2.79Å; C41-K83 HydrophobicContact CB-CD 4.01Å; C41-K83 HydrophobicContact CB-CG 4Å; I42-K83 VanDerWaalsContact C-CE 3.49Å; I42-K83 PolarHBondContact O-N 2.86Å; D43-K83 WeakPolarHBondContact OD1-CE 3.31Å; D43-K83 IonicContact OD1-NZ 2.86Å; D43-K83 PolarHBondContact OD1-NZ 3.35Å; D43-K83 IonicContact OD2-NZ 3.43Å; D43-K83 PolarHBondContact OD2-NZ 3.5Å; L44-K83 PolarHBondContact N-O 2.77Å
84L95.2Very high93.5Very high10 Ų1050.9 Ų50.95%0.05227%0.271CS..PPolyproline II helixtrans-79.5151.1173.6-53.9-168.9000110.8L44 T86 I88 L105 E108 L109 V120 V121 I122L44-L84 HydrophobicContact CD1-CD2 3.82Å; L84-T86 PolarHBondContact O-N 3.11Å; L84-I88 HydrophobicContact CB-CD1 4.19Å; L84-L105 HydrophobicContact CD1-CD1 3.59Å; L84-E108 WeakPolarHBondContact CA-OE2 3.2Å; L84-E108 WeakPolarHBondContact CB-OE2 3.1Å; L84-E108 HydrophobicContact CD2-CB 3.79Å; L84-L109 HydrophobicContact CD1-CD2 3.87Å; L84-L109 HydrophobicContact CD1-CG 4.29Å; L84-V120 HydrophobicContact CD2-CB 4.27Å; L84-V120 HydrophobicContact CD2-CG1 4.3Å; L84-V120 HydrophobicContact CG-CB 4.49Å; L84-V121 PolarHBondContact N-O 3.32Å; L84-I122 HydrophobicContact CD1-CB 4.02Å; L84-I122 HydrophobicContact CD1-CD1 4.15Å; L84-I122 HydrophobicContact CD1-CG1 4.38Å; L84-I122 HydrophobicContact CG-CB 4.5Å
85S93Very high93.7Very high16 Ų1648 Ų4811%0.11226%0.262CS..PPolyproline II helixtrans-56.7128.9-179.5-69.30000111.9T87 I88 E108S85-T87 PolarHBondContact O-N 3.49Å; S85-T87 VanDerWaalsContact O-N 3.15Å; S85-I88 WeakPolarHBondContact O-CB 3.02Å; S85-I88 WeakPolarHBondContact O-CG1 3.45Å; S85-I88 PolarHBondContact O-N 3.21Å; S85-I88 VanDerWaalsContact O-N 3.16Å; S85-E108 WeakPolarHBondContact CB-OE1 2.77Å; S85-E108 PolarHBondContact N-OE2 3.29Å; S85-E108 PolarHBondContact OG-OE1 2.69Å
86T90.7Very high93.6Very high113 Ų11347.3 Ų47.369%0.69326%0.257SS*.THydrogen-bonded Turntrans-68.7-11.6-179.354.60000113.8L84L84-T86 PolarHBondContact O-N 3.11Å
87T88.8Confident93.5Very high79 Ų7950.3 Ų50.349%0.48527%0.272SS..THydrogen-bonded Turntrans-82.7-10.117654.40000113.5S85 D89S85-T87 PolarHBondContact O-N 3.49Å; S85-T87 VanDerWaalsContact O-N 3.15Å; T87-D89 PolarHBondContact O-N 3.32Å; T87-D89 VanDerWaalsContact O-N 3.16Å
88I91.5Very high93.5Very high24 Ų2453.7 Ų53.712%0.12328%0.283CS..  trans-66.4113.3177.6-68166.8000109.2L84 S85 V90 L104 L105 E108L84-I88 HydrophobicContact CB-CD1 4.19Å; S85-I88 WeakPolarHBondContact O-CB 3.02Å; S85-I88 WeakPolarHBondContact O-CG1 3.45Å; S85-I88 PolarHBondContact O-N 3.21Å; S85-I88 VanDerWaalsContact O-N 3.16Å; I88-V90 HydrophobicContact CG2-CG1 3.78Å; I88-L104 HydrophobicContact CD1-CD2 4.36Å; I88-L104 HydrophobicContact CD1-CG 4.11Å; I88-L104 HydrophobicContact CG1-CB 4.3Å; I88-L104 HydrophobicContact CG1-CD2 3.72Å; I88-L104 HydrophobicContact CG1-CG 3.88Å; I88-L105 HydrophobicContact CD1-CD1 4.5Å; I88-L105 HydrophobicContact CG2-CB 3.93Å; I88-L105 HydrophobicContact CG2-CD1 4.41Å; I88-E108 HydrophobicContact CD1-CG 4.42Å
89D92.9Very high93.6Very high44 Ų4450.6 Ų50.624%0.23527%0.272CS..  trans-127.788.4172.3-172.14.9000110.9T87 D91 A92 I97 R126T87-D89 PolarHBondContact O-N 3.32Å; T87-D89 VanDerWaalsContact O-N 3.16Å; D89-D91 PolarHBondContact O-N 3.33Å; D89-D91 PolarHBondContact OD1-N 3.49Å; D89-A92 HydrophobicContact CB-CB 4.26Å; D89-A92 PolarHBondContact OD1-N 3.18Å; D89-A92 VanDerWaalsContact OD1-N 3.08Å; D89-A92 WeakPolarHBondContact OD2-CB 3.39Å; D89-I97 HydrophobicContact CB-CG2 4.19Å; D89-R126 IonicContact OD1-CZ 3.71Å; D89-R126 VanDerWaalsContact OD1-CZ 3.25Å; D89-R126 IonicContact OD1-NE 2.67Å; D89-R126 IonicContact OD1-NH1 2.91Å; D89-R126 IonicContact OD1-NH2 3.63Å; D89-R126 PolarHBondContact OD1-NH2 3.45Å; D89-R126 IonicContact OD2-CZ 3.81Å; D89-R126 IonicContact OD2-NH2 2.87Å; D89-R126 PolarHBondContact OD2-NH2 3.11Å
90V95.2Very high93.5Very high7 Ų750.4 Ų50.44%0.04227%0.271CS..THydrogen-bonded Turntrans-79.7-4.7-179.2-56.90000113.6I88 R98 A102 L105 N131 L132 L135I88-V90 HydrophobicContact CG2-CG1 3.78Å; V90-R98 VanDerWaalsContact O-CG 3.27Å; V90-R98 WeakPolarHBondContact O-CG 3.46Å; V90-A102 HydrophobicContact CG1-CB 4.43Å; V90-L105 HydrophobicContact CG1-CB 4.04Å; V90-L105 HydrophobicContact CG1-CD2 3.76Å; V90-N131 HydrophobicContact CB-CB 4.42Å; V90-N131 HydrophobicContact CG2-CB 4.36Å; V90-N131 WeakPolarHBondContact O-CB 3.26Å; V90-N131 PolarHBondContact O-ND2 3.1Å; V90-L132 HydrophobicContact CG2-CB 3.64Å; V90-L132 HydrophobicContact CG2-CD1 4.19Å; V90-L132 HydrophobicContact CG2-CG 4.49Å; V90-L135 HydrophobicContact CB-CD1 3.94Å; V90-L135 HydrophobicContact CG1-CD1 3.87Å; V90-L135 HydrophobicContact CG2-CD1 4.39Å
91D95.7Very high93.4Very high16 Ų1650.6 Ų50.69%0.08627%0.273CS..THydrogen-bonded Turntrans-121.118.1179.8-77.1-65.5000111.5D89 R126 N129 P130 N131 L132D89-D91 PolarHBondContact O-N 3.33Å; D89-D91 PolarHBondContact OD1-N 3.49Å; D91-R126 PolarHBondContact O-NH1 2.78Å; D91-N129 VanDerWaalsContact OD2-C 3.31Å; D91-N129 VanDerWaalsContact OD2-CA 3.25Å; D91-N129 WeakPolarHBondContact OD2-CA 3.27Å; D91-P130 VanDerWaalsContact OD1-CD 3.27Å; D91-P130 WeakPolarHBondContact OD1-CD 3.49Å; D91-N131 WeakPolarHBondContact OD1-CB 3.41Å; D91-N131 PolarHBondContact OD1-N 2.95Å; D91-N131 PolarHBondContact OD1-ND2 3.29Å; D91-N131 PolarHBondContact OD2-N 3.5Å; D91-L132 PolarHBondContact OD2-N 3.15Å; D91-L132 VanDerWaalsContact OD2-N 3.08Å
92A94.3Very high93.3Very high5 Ų551.5 Ų51.54%0.04128%0.28CS..  trans-56.8143.717500000112.2D89 I94 I97 R98D89-A92 HydrophobicContact CB-CB 4.26Å; D89-A92 PolarHBondContact OD1-N 3.18Å; D89-A92 VanDerWaalsContact OD1-N 3.08Å; D89-A92 WeakPolarHBondContact OD2-CB 3.39Å; A92-I94 PolarHBondContact O-N 2.87Å; A92-I97 HydrophobicContact CB-CB 3.87Å; A92-I97 HydrophobicContact CB-CG2 3.64Å; A92-R98 HydrophobicContact CB-CB 4.3Å; A92-R98 PolarHBondContact O-NH1 2.81Å
93D93.4Very high93.1Very high152 Ų15257.5 Ų57.581%0.81331%0.308SS*.SBendtrans-65.1-32172.8-64-38.5000111.2I95D93-I95 PolarHBondContact O-N 2.91Å
94I94.7Very high92.9Very high99 Ų9956.5 Ų56.551%0.50830%0.304SS..SBendtrans-80.7118.4178.9-57.8177.1000109.5A92 S96 I97 R98A92-I94 PolarHBondContact O-N 2.87Å; I94-S96 VanDerWaalsContact C-N 3.33Å; I94-S96 WeakPolarHBondContact CG2-OG 3.28Å; I94-S96 PolarHBondContact O-N 3.16Å; I94-I97 HydrophobicContact CB-CB 4.34Å; I94-I97 HydrophobicContact CB-CD1 4.01Å; I94-I97 HydrophobicContact CB-CG1 4.11Å; I94-I97 HydrophobicContact CD1-CD1 3.88Å; I94-I97 HydrophobicContact CG1-CD1 4.45Å; I94-I97 HydrophobicContact CG2-CD1 4.26Å; I94-I97 HydrophobicContact CG2-CG1 4.03Å; I94-I97 PolarHBondContact O-N 3.45Å; I94-R98 PolarHBondContact O-N 2.99Å
95I93.7Very high92.9Very high99 Ų9956 Ų5651%0.50830%0.302SS..Hα-helixtrans-56.7-42.4-174.8-58.5178.2000112.5D93 R98 Q99D93-I95 PolarHBondContact O-N 2.91Å; I95-R98 WeakPolarHBondContact O-CB 3.43Å; I95-R98 PolarHBondContact O-N 2.83Å; I95-Q99 HydrophobicContact CG2-CG 4.28Å; I95-Q99 WeakPolarHBondContact O-CB 3.31Å; I95-Q99 WeakPolarHBondContact O-CG 3.46Å; I95-Q99 PolarHBondContact O-N 2.85Å
96S90.7Very high92.9Very high53 Ų5357.9 Ų57.937%0.37131%0.31SS..Hα-helixtrans-64.9-43.4-178.5540000112.3I94 R98 Q99 S100I94-S96 VanDerWaalsContact C-N 3.33Å; I94-S96 WeakPolarHBondContact CG2-OG 3.28Å; I94-S96 PolarHBondContact O-N 3.16Å; S96-R98 VanDerWaalsContact C-N 3.34Å; S96-Q99 PolarHBondContact O-N 2.8Å; S96-S100 WeakPolarHBondContact O-CB 3.46Å; S96-S100 PolarHBondContact O-N 3.46Å; S96-S100 PolarHBondContact O-OG 2.82Å; S96-S100 VanDerWaalsContact O-OG 3.08Å
97I91.6Very high93.1Very high72 Ų7255 Ų5537%0.36929%0.287SS..Hα-helixtrans-63.2-43.8174.9-60.1-178.6000110D89 A92 I94 Q99 S100 G101D89-I97 HydrophobicContact CB-CG2 4.19Å; A92-I97 HydrophobicContact CB-CB 3.87Å; A92-I97 HydrophobicContact CB-CG2 3.64Å; I94-I97 HydrophobicContact CB-CB 4.34Å; I94-I97 HydrophobicContact CB-CD1 4.01Å; I94-I97 HydrophobicContact CB-CG1 4.11Å; I94-I97 HydrophobicContact CD1-CD1 3.88Å; I94-I97 HydrophobicContact CG1-CD1 4.45Å; I94-I97 HydrophobicContact CG2-CD1 4.26Å; I94-I97 HydrophobicContact CG2-CG1 4.03Å; I94-I97 PolarHBondContact O-N 3.45Å; I97-Q99 PolarHBondContact O-N 2.74Å; I97-S100 PolarHBondContact O-N 2.83Å; I97-S100 PolarHBondContact O-OG 3.38Å; I97-S100 VanDerWaalsContact O-OG 3.09Å; I97-G101 WeakPolarHBondContact O-CA 3.34Å; I97-G101 PolarHBondContact O-N 3.47Å
98R93.6Very high93.4Very high83 Ų8351.2 Ų51.231%0.31326%0.264SS..Hα-helixtrans-60.5-44.7178.4-179.6165.967.9-146.34.8112.6V90 A92 I94 I95 S96 A102V90-R98 VanDerWaalsContact O-CG 3.27Å; V90-R98 WeakPolarHBondContact O-CG 3.46Å; A92-R98 HydrophobicContact CB-CB 4.3Å; A92-R98 PolarHBondContact O-NH1 2.81Å; I94-R98 PolarHBondContact O-N 2.99Å; I95-R98 WeakPolarHBondContact O-CB 3.43Å; I95-R98 PolarHBondContact O-N 2.83Å; S96-R98 VanDerWaalsContact C-N 3.34Å; R98-A102 WeakPolarHBondContact O-CB 3.44Å; R98-A102 PolarHBondContact O-N 3.5Å
99Q92.9Very high93.6Very high122 Ų12250.1 Ų50.157%0.5726%0.258SS*.Hα-helixtrans-68.8-46.1179.6-75176.9-2200112.1I95 S96 I97 A102 Q103I95-Q99 HydrophobicContact CG2-CG 4.28Å; I95-Q99 WeakPolarHBondContact O-CB 3.31Å; I95-Q99 WeakPolarHBondContact O-CG 3.46Å; I95-Q99 PolarHBondContact O-N 2.85Å; S96-Q99 PolarHBondContact O-N 2.8Å; I97-Q99 PolarHBondContact O-N 2.74Å; Q99-A102 PolarHBondContact O-N 2.97Å; Q99-Q103 WeakPolarHBondContact O-CG 3.21Å; Q99-Q103 PolarHBondContact O-N 2.84Å; Q99-Q103 VanDerWaalsContact O-N 3.07Å
100S90.2Very high93.7Very high28 Ų2850.6 Ų50.620%0.19627%0.266CS..Hα-helixtrans-65.9-40.5177.763.80000111.6S96 I97 A102 Q103 L104S96-S100 WeakPolarHBondContact O-CB 3.46Å; S96-S100 PolarHBondContact O-N 3.46Å; S96-S100 PolarHBondContact O-OG 2.82Å; S96-S100 VanDerWaalsContact O-OG 3.08Å; I97-S100 PolarHBondContact O-N 2.83Å; I97-S100 PolarHBondContact O-OG 3.38Å; I97-S100 VanDerWaalsContact O-OG 3.09Å; S100-A102 VanDerWaalsContact C-N 3.34Å; S100-A102 PolarHBondContact O-N 3.29Å; S100-Q103 PolarHBondContact O-N 3.15Å; S100-L104 WeakPolarHBondContact O-CB 3.44Å; S100-L104 PolarHBondContact O-N 3.12Å
101G93Very high93.7Very high4 Ų452.4 Ų52.44%0.04127%0.272CS..Hα-helixtrans-59-43.1173.100000112.2I97 L104 L105I97-G101 WeakPolarHBondContact O-CA 3.34Å; I97-G101 PolarHBondContact O-N 3.47Å; G101-L104 PolarHBondContact O-N 2.87Å; G101-L105 WeakPolarHBondContact O-CB 3.37Å; G101-L105 PolarHBondContact O-N 3.19Å
102A94.5Very high93.7Very high22 Ų2251.6 Ų51.618%0.18227%0.267CS..Hα-helixtrans-65.7-41.2178.200000112.4V90 R98 Q99 S100 M106 L135V90-A102 HydrophobicContact CG1-CB 4.43Å; R98-A102 WeakPolarHBondContact O-CB 3.44Å; R98-A102 PolarHBondContact O-N 3.5Å; Q99-A102 PolarHBondContact O-N 2.97Å; S100-A102 VanDerWaalsContact C-N 3.34Å; S100-A102 PolarHBondContact O-N 3.29Å; A102-M106 WeakPolarHBondContact O-CG 3.4Å; A102-M106 PolarHBondContact O-N 3.35Å; A102-M106 VanDerWaalsContact O-N 3.13Å; A102-L135 HydrophobicContact CB-CD1 3.76Å
103Q92.6Very high93.7Very high126 Ų12652 Ų5259%0.58927%0.271SS*.Hα-helixtrans-63.8-45.5175-71.8174-12.900111.5Q99 S100 M106 K107Q99-Q103 WeakPolarHBondContact O-CG 3.21Å; Q99-Q103 PolarHBondContact O-N 2.84Å; Q99-Q103 VanDerWaalsContact O-N 3.07Å; S100-Q103 PolarHBondContact O-N 3.15Å; Q103-M106 PolarHBondContact O-N 3.17Å; Q103-K107 WeakPolarHBondContact O-CB 3.32Å; Q103-K107 PolarHBondContact O-N 2.96Å
104L92.4Very high93.7Very high12 Ų1250.4 Ų50.46%0.06326%0.258CS..Hα-helixtrans-63.5-47.6178.5-175.558.9000110.9L51 I88 S100 G101 M106 K107 E108L51-L104 HydrophobicContact CD1-CD2 4.34Å; I88-L104 HydrophobicContact CD1-CD2 4.36Å; I88-L104 HydrophobicContact CD1-CG 4.11Å; I88-L104 HydrophobicContact CG1-CB 4.3Å; I88-L104 HydrophobicContact CG1-CD2 3.72Å; I88-L104 HydrophobicContact CG1-CG 3.88Å; S100-L104 WeakPolarHBondContact O-CB 3.44Å; S100-L104 PolarHBondContact O-N 3.12Å; G101-L104 PolarHBondContact O-N 2.87Å; L104-M106 VanDerWaalsContact C-N 3.33Å; L104-M106 PolarHBondContact O-N 2.98Å; L104-K107 WeakPolarHBondContact O-CB 3.11Å; L104-K107 PolarHBondContact O-N 3.41Å; L104-K107 VanDerWaalsContact O-N 3.07Å; L104-E108 HydrophobicContact CD1-CG 4.02Å; L104-E108 HydrophobicContact CG-CG 4.29Å; L104-E108 WeakPolarHBondContact O-CG 3.14Å; L104-E108 PolarHBondContact O-N 2.76Å
105L95Very high93.7Very high0 Ų046.4 Ų46.40%024%0.238CC..Hα-helixtrans-52.4-50.6175.917960.6000111.6L84 I88 V90 G101 K107 E108 L109 I122 L132 L135L84-L105 HydrophobicContact CD1-CD1 3.59Å; I88-L105 HydrophobicContact CD1-CD1 4.5Å; I88-L105 HydrophobicContact CG2-CB 3.93Å; I88-L105 HydrophobicContact CG2-CD1 4.41Å; V90-L105 HydrophobicContact CG1-CB 4.04Å; V90-L105 HydrophobicContact CG1-CD2 3.76Å; G101-L105 WeakPolarHBondContact O-CB 3.37Å; G101-L105 PolarHBondContact O-N 3.19Å; L105-K107 VanDerWaalsContact C-N 3.34Å; L105-K107 PolarHBondContact O-N 2.91Å; L105-E108 PolarHBondContact O-N 3.06Å; L105-L109 HydrophobicContact CD1-CD1 3.79Å; L105-L109 HydrophobicContact CD1-CG 3.94Å; L105-L109 HydrophobicContact CD2-CD1 4.49Å; L105-L109 HydrophobicContact CG-CD1 3.81Å; L105-L109 HydrophobicContact CG-CG 4.34Å; L105-L109 WeakPolarHBondContact O-CB 3.28Å; L105-L109 VanDerWaalsContact O-CG 3.25Å; L105-L109 WeakPolarHBondContact O-CG 3.25Å; L105-L109 PolarHBondContact O-N 2.75Å; L105-I122 HydrophobicContact CD1-CD1 3.91Å; L105-L132 HydrophobicContact CD2-CD1 3.83Å; L105-L135 HydrophobicContact CD2-CB 4.05Å; L105-L135 HydrophobicContact CD2-CD1 3.96Å
106M94.7Very high93.7Very high56 Ų5643.5 Ų43.528%0.27623%0.232SC..Hα-helixtrans-65-37.4179.4-67.3-54.7-55.200112.2A102 Q103 L104 S110 L135 F139A102-M106 WeakPolarHBondContact O-CG 3.4Å; A102-M106 PolarHBondContact O-N 3.35Å; A102-M106 VanDerWaalsContact O-N 3.13Å; Q103-M106 PolarHBondContact O-N 3.17Å; L104-M106 VanDerWaalsContact C-N 3.33Å; L104-M106 PolarHBondContact O-N 2.98Å; M106-S110 VanDerWaalsContact O-CB 3.26Å; M106-S110 WeakPolarHBondContact O-CB 3.28Å; M106-S110 PolarHBondContact O-N 2.74Å; M106-S110 PolarHBondContact O-OG 2.85Å; M106-L135 HydrophobicContact CG-CD2 4.24Å; M106-L135 HydrophobicContact SD-CB 4.46Å; M106-L135 HydrophobicContact SD-CD2 4.12Å; M106-F139 HydrophobicContact CE-CB 4.03Å; M106-F139 HydrophobicContact CE-CD2 3.98Å; M106-F139 HydrophobicContact CE-CG 4.45Å; M106-F139 HydrophobicContact SD-CB 4.41Å
107K93.5Very high94Very high52 Ų5241.2 Ų41.223%0.22622%0.216CC..Hα-helixtrans-60.8-48.6174.7179.2174.3-178.2177.20111.1F45 G60 P61 D62 Q103 L104 L105 W111F45-K107 HydrophobicContact CE1-CD 4.46Å; F45-K107 HydrophobicContact CZ-CG 4.26Å; G60-K107 PolarHBondContact O-NZ 3.45Å; P61-K107 WeakPolarHBondContact O-CE 3.23Å; P61-K107 PolarHBondContact O-NZ 2.9Å; D62-K107 IonicContact OD1-NZ 3.3Å; Q103-K107 WeakPolarHBondContact O-CB 3.32Å; Q103-K107 PolarHBondContact O-N 2.96Å; L104-K107 WeakPolarHBondContact O-CB 3.11Å; L104-K107 PolarHBondContact O-N 3.41Å; L104-K107 VanDerWaalsContact O-N 3.07Å; L105-K107 VanDerWaalsContact C-N 3.34Å; L105-K107 PolarHBondContact O-N 2.91Å; K107-W111 WeakPolarHBondContact O-CB 3.25Å; K107-W111 PolarHBondContact O-N 3.44Å
108E95.2Very high94.1Very high0 Ų040.7 Ų40.70%022%0.217CC..Hα-helixtrans-70.6-39.5-177.4-54.9-161175.100112.7F45 L84 S85 I88 L104 L105 W111 A112F45-E108 HydrophobicContact CD2-CB 4.15Å; F45-E108 VanDerWaalsContact CD2-CD 3.47Å; F45-E108 HydrophobicContact CD2-CG 3.46Å; F45-E108 VanDerWaalsContact CD2-CG 3.46Å; F45-E108 HydrophobicContact CE2-CB 3.86Å; F45-E108 HydrophobicContact CE2-CG 3.47Å; F45-E108 VanDerWaalsContact CE2-CG 3.47Å; F45-E108 HydrophobicContact CG-CG 4.32Å; F45-E108 HydrophobicContact CZ-CG 4.28Å; L84-E108 WeakPolarHBondContact CA-OE2 3.2Å; L84-E108 WeakPolarHBondContact CB-OE2 3.1Å; L84-E108 HydrophobicContact CD2-CB 3.79Å; S85-E108 WeakPolarHBondContact CB-OE1 2.77Å; S85-E108 PolarHBondContact N-OE2 3.29Å; S85-E108 PolarHBondContact OG-OE1 2.69Å; I88-E108 HydrophobicContact CD1-CG 4.42Å; L104-E108 HydrophobicContact CD1-CG 4.02Å; L104-E108 HydrophobicContact CG-CG 4.29Å; L104-E108 WeakPolarHBondContact O-CG 3.14Å; L104-E108 PolarHBondContact O-N 2.76Å; L105-E108 PolarHBondContact O-N 3.06Å; E108-W111 PolarHBondContact O-N 3.05Å; E108-A112 WeakPolarHBondContact O-CB 3.48Å; E108-A112 PolarHBondContact O-N 2.69Å
109L95.8Very high94.2Very high0 Ų036.9 Ų36.90%020%0.203CC..Hα-helixtrans-62.1-46.2174.2-74.1177.6000111.7L84 L105 W111 A112 A113 V120 L136 F139L84-L109 HydrophobicContact CD1-CD2 3.87Å; L84-L109 HydrophobicContact CD1-CG 4.29Å; L105-L109 HydrophobicContact CD1-CD1 3.79Å; L105-L109 HydrophobicContact CD1-CG 3.94Å; L105-L109 HydrophobicContact CD2-CD1 4.49Å; L105-L109 HydrophobicContact CG-CD1 3.81Å; L105-L109 HydrophobicContact CG-CG 4.34Å; L105-L109 WeakPolarHBondContact O-CB 3.28Å; L105-L109 VanDerWaalsContact O-CG 3.25Å; L105-L109 WeakPolarHBondContact O-CG 3.25Å; L105-L109 PolarHBondContact O-N 2.75Å; L109-W111 VanDerWaalsContact C-N 3.29Å; L109-W111 PolarHBondContact O-N 2.85Å; L109-A112 WeakPolarHBondContact O-CB 3.41Å; L109-A112 PolarHBondContact O-N 3.09Å; L109-A113 PolarHBondContact O-N 2.9Å; L109-V120 HydrophobicContact CD2-CG2 3.8Å; L109-L136 HydrophobicContact CD1-CD2 4.11Å; L109-F139 HydrophobicContact CB-CD1 4.15Å; L109-F139 HydrophobicContact CB-CD2 3.9Å; L109-F139 HydrophobicContact CB-CE1 3.89Å; L109-F139 HydrophobicContact CB-CE2 3.64Å; L109-F139 HydrophobicContact CB-CG 4.15Å; L109-F139 HydrophobicContact CB-CZ 3.63Å; L109-F139 HydrophobicContact CD1-CB 4.22Å; L109-F139 HydrophobicContact CD1-CD1 3.91Å; L109-F139 HydrophobicContact CD1-CD2 4.42Å; L109-F139 HydrophobicContact CD1-CE1 4.38Å; L109-F139 HydrophobicContact CD1-CG 3.92Å; L109-F139 HydrophobicContact CD2-CD1 4.3Å; L109-F139 HydrophobicContact CD2-CE1 4.04Å; L109-F139 HydrophobicContact CG-CD1 4.36Å; L109-F139 HydrophobicContact CG-CE1 4.33Å; L109-F139 VanDerWaalsContact O-CZ 3.29Å; L109-F139 WeakPolarHBondContact O-CZ 3.37Å
110S94.5Very high94.5Very high55 Ų5531 Ų3139%0.38518%0.176SC..Hα-helixtrans-62.3-38.6176.6-550000111.4M106 A113 H114M106-S110 VanDerWaalsContact O-CB 3.26Å; M106-S110 WeakPolarHBondContact O-CB 3.28Å; M106-S110 PolarHBondContact O-N 2.74Å; M106-S110 PolarHBondContact O-OG 2.85Å; S110-A113 PolarHBondContact O-N 3.27Å; S110-H114 WeakPolarHBondContact O-CB 3.47Å; S110-H114 PolarHBondContact O-N 3.34Å
111W95.1Very high94.8Very high44 Ų4430.8 Ų30.817%0.16717%0.173CC..Hα-helixtrans-64.8-42.8175-176-114.9000112.1F45 P63 R64 D66 K107 E108 L109 A113 H114 L115F45-W111 HydrophobicContact CE2-CB 4.27Å; F45-W111 HydrophobicContact CE2-CG 4.33Å; F45-W111 HydrophobicContact CZ-CB 4.29Å; F45-W111 HydrophobicContact CZ-CG 4.3Å; P63-W111 HydrophobicContact CB-CD2 4.1Å; P63-W111 HydrophobicContact CB-CG 4.26Å; P63-W111 HydrophobicContact CB-CZ2 4.09Å; P63-W111 HydrophobicContact CG-CD2 3.7Å; P63-W111 HydrophobicContact CG-CE3 4.07Å; P63-W111 HydrophobicContact CG-CG 4.18Å; P63-W111 HydrophobicContact CG-CH2 4.21Å; P63-W111 HydrophobicContact CG-CZ2 3.85Å; P63-W111 HydrophobicContact CG-CZ3 4.3Å; R64-W111 WeakPolarHBondContact O-CZ2 3.36Å; D66-W111 HydrophobicContact CB-CH2 4.23Å; K107-W111 WeakPolarHBondContact O-CB 3.25Å; K107-W111 PolarHBondContact O-N 3.44Å; E108-W111 PolarHBondContact O-N 3.05Å; L109-W111 VanDerWaalsContact C-N 3.29Å; L109-W111 PolarHBondContact O-N 2.85Å; W111-A113 VanDerWaalsContact C-N 3.35Å; W111-A113 PolarHBondContact O-N 3.45Å; W111-H114 HydrophobicContact CE3-CB 4.41Å; W111-H114 AromaticContact CE3-CD2 3.75Å; W111-H114 AromaticContact CH2-CD2 3.82Å; W111-H114 AromaticContact CZ3-CD2 3.3Å; W111-H114 WeakPolarHBondContact CZ3-CD2 3.39Å; W111-H114 AromaticContact CZ3-NE2 3.85Å; W111-H114 WeakPolarHBondContact O-CB 3.35Å; W111-H114 PolarHBondContact O-N 2.79Å; W111-L115 HydrophobicContact CD2-CG 4.46Å; W111-L115 HydrophobicContact CH2-CD2 4.37Å; W111-L115 HydrophobicContact CZ2-CD1 4.46Å; W111-L115 HydrophobicContact CZ2-CD2 3.79Å; W111-L115 HydrophobicContact CZ2-CG 4.2Å; W111-L115 WeakPolarHBondContact O-CG 3.5Å; W111-L115 PolarHBondContact O-N 3.03Å
112A95.8Very high95Very high0 Ų031.3 Ų31.30%018%0.175CC..Hα-helixtrans-61.7-41.8176.100000112.9L44 E108 L109 L115 G116 L117 V120 I147L44-A112 HydrophobicContact CD1-CB 3.83Å; E108-A112 WeakPolarHBondContact O-CB 3.48Å; E108-A112 PolarHBondContact O-N 2.69Å; L109-A112 WeakPolarHBondContact O-CB 3.41Å; L109-A112 PolarHBondContact O-N 3.09Å; A112-L115 PolarHBondContact O-N 3.36Å; A112-G116 PolarHBondContact O-N 3.17Å; A112-L117 HydrophobicContact CB-CD1 3.94Å; A112-L117 PolarHBondContact O-N 3Å; A112-L117 VanDerWaalsContact O-N 3.15Å; A112-V120 HydrophobicContact CB-CG1 3.22Å; A112-I147 HydrophobicContact CB-CD1 3.82Å
113A95.1Very high95Very high13 Ų1335 Ų3511%0.10718%0.184CC..Hα-helixtrans-64-42.1173.800000111.7L109 S110 W111 L115 G116 F139L109-A113 PolarHBondContact O-N 2.9Å; S110-A113 PolarHBondContact O-N 3.27Å; W111-A113 VanDerWaalsContact C-N 3.35Å; W111-A113 PolarHBondContact O-N 3.45Å; A113-L115 VanDerWaalsContact C-N 3.34Å; A113-L115 PolarHBondContact O-N 2.79Å; A113-G116 PolarHBondContact O-N 3.47Å; A113-F139 HydrophobicContact CB-CE2 4.47Å; A113-F139 HydrophobicContact CB-CZ 4.04Å
114H94.2Very high95.1Very high118 Ų11829.1 Ų29.155%0.54616%0.157SC..Hα-helixtrans-58.8-42.6175.2176.174.4000112.6S110 W111 G116S110-H114 WeakPolarHBondContact O-CB 3.47Å; S110-H114 PolarHBondContact O-N 3.34Å; W111-H114 HydrophobicContact CE3-CB 4.41Å; W111-H114 AromaticContact CE3-CD2 3.75Å; W111-H114 AromaticContact CH2-CD2 3.82Å; W111-H114 AromaticContact CZ3-CD2 3.3Å; W111-H114 WeakPolarHBondContact CZ3-CD2 3.39Å; W111-H114 AromaticContact CZ3-NE2 3.85Å; W111-H114 WeakPolarHBondContact O-CB 3.35Å; W111-H114 PolarHBondContact O-N 2.79Å; H114-G116 PolarHBondContact O-N 2.95Å
115L94.3Very high94.8Very high16 Ų1633.1 Ų33.18%0.08418%0.178CC..THydrogen-bonded Turntrans-69-14174.9-68.6-179.5000113.6L44 D66 Y69 T77 W111 A112 A113 L117L44-L115 HydrophobicContact CD2-CD1 4.37Å; D66-L115 HydrophobicContact CB-CD2 3.94Å; Y69-L115 HydrophobicContact CD2-CD1 4.02Å; Y69-L115 HydrophobicContact CD2-CD2 3.6Å; Y69-L115 HydrophobicContact CD2-CG 4.47Å; Y69-L115 HydrophobicContact CE1-CD1 4.48Å; Y69-L115 HydrophobicContact CE2-CD1 3.66Å; Y69-L115 HydrophobicContact CE2-CD2 3.8Å; Y69-L115 HydrophobicContact CE2-CG 4.41Å; Y69-L115 HydrophobicContact CG-CD2 4.46Å; T77-L115 WeakPolarHBondContact CB-O 3.38Å; T77-L115 HydrophobicContact CG2-CB 4.34Å; T77-L115 WeakPolarHBondContact CG2-O 3.4Å; T77-L115 PolarHBondContact OG1-O 2.89Å; W111-L115 HydrophobicContact CD2-CG 4.46Å; W111-L115 HydrophobicContact CH2-CD2 4.37Å; W111-L115 HydrophobicContact CZ2-CD1 4.46Å; W111-L115 HydrophobicContact CZ2-CD2 3.79Å; W111-L115 HydrophobicContact CZ2-CG 4.2Å; W111-L115 WeakPolarHBondContact O-CG 3.5Å; W111-L115 PolarHBondContact O-N 3.03Å; A112-L115 PolarHBondContact O-N 3.36Å; A113-L115 VanDerWaalsContact C-N 3.34Å; A113-L115 PolarHBondContact O-N 2.79Å; L115-L117 HydrophobicContact CB-CD1 4.5Å; L115-L117 HydrophobicContact CB-CG 3.98Å; L115-L117 HydrophobicContact CD1-CD1 4.23Å; L115-L117 HydrophobicContact CD1-CG 4.47Å
116G93.8Very high94.5Very high38 Ų3836.3 Ų36.339%0.39219%0.19SC..THydrogen-bonded Turntrans66.437.4-174.600000112.8A112 A113 H114A112-G116 PolarHBondContact O-N 3.17Å; A113-G116 PolarHBondContact O-N 3.47Å; H114-G116 PolarHBondContact O-N 2.95Å
117L95.5Very high94.3Very high5 Ų535.4 Ų35.43%0.02619%0.188CC..  trans-67.5139.5176.9-65.9174.7000110.8L44 T77 L80 A112 L115 A119L44-L117 HydrophobicContact CD2-CD1 3.66Å; T77-L117 HydrophobicContact CG2-CD2 4.27Å; L80-L117 HydrophobicContact CB-CD2 3.71Å; A112-L117 HydrophobicContact CB-CD1 3.94Å; A112-L117 PolarHBondContact O-N 3Å; A112-L117 VanDerWaalsContact O-N 3.15Å; L115-L117 HydrophobicContact CB-CD1 4.5Å; L115-L117 HydrophobicContact CB-CG 3.98Å; L115-L117 HydrophobicContact CD1-CD1 4.23Å; L115-L117 HydrophobicContact CD1-CG 4.47Å; L117-A119 VanDerWaalsContact C-N 3.3Å; L117-A119 PolarHBondContact O-N 3.02Å
118P94.3Very high94.2Very high60 Ų6037.2 Ų37.239%0.3920%0.204SC..SBendtrans-66.4-32.7176.227-35.3000112.6T77 L80 K148T77-P118 WeakPolarHBondContact O-CD 3.36Å; L80-P118 VanDerWaalsContact O-CD 3.25Å; L80-P118 WeakPolarHBondContact O-CD 3.48Å; L80-P118 WeakPolarHBondContact O-CG 3.37Å; P118-K148 PolarHBondContact O-N 3.07Å; P118-K148 VanDerWaalsContact O-N 3.12Å
119A96.8Very high94.2Very high3 Ų337.6 Ų37.63%0.02521%0.206CC..EExtended strand (participates in β ladder)trans-151.1154.5-179.600000113V81 G82 L117 K148 W150V81-A119 WeakPolarHBondContact CA-O 3.25Å; V81-A119 HydrophobicContact CG1-CB 4.21Å; V81-A119 HydrophobicContact CG2-CB 4.44Å; G82-A119 PolarHBondContact N-O 2.66Å; L117-A119 VanDerWaalsContact C-N 3.3Å; L117-A119 PolarHBondContact O-N 3.02Å; A119-K148 CarbonylContact C-O 3.54Å; A119-K148 WeakPolarHBondContact CA-O 3.3Å; A119-K148 HydrophobicContact CB-CB 4.06Å; A119-W150 HydrophobicContact CB-CD2 4Å; A119-W150 HydrophobicContact CB-CG 4.11Å; A119-W150 HydrophobicContact CB-CZ2 4.17Å
120V97.7Very high94.2Very high0 Ų041 Ų410%023%0.228CC..EExtended strand (participates in β ladder)trans-121.1147.1166.5-72.20000110.8L44 G82 L84 L109 A112 I147 K148 V149 W150L44-V120 HydrophobicContact CD1-CG1 4.43Å; G82-V120 CarbonylContact O-C 3.5Å; G82-V120 WeakPolarHBondContact O-CA 3.4Å; L84-V120 HydrophobicContact CD2-CB 4.27Å; L84-V120 HydrophobicContact CD2-CG1 4.3Å; L84-V120 HydrophobicContact CG-CB 4.49Å; L109-V120 HydrophobicContact CD2-CG2 3.8Å; A112-V120 HydrophobicContact CB-CG1 3.22Å; V120-I147 HydrophobicContact CG1-CD1 3.97Å; V120-I147 HydrophobicContact CG2-CD1 4.45Å; V120-K148 PolarHBondContact N-O 2.85Å; V120-V149 HydrophobicContact CG2-CB 4.45Å; V120-V149 HydrophobicContact CG2-CG1 4.47Å; V120-V149 HydrophobicContact CG2-CG2 4.01Å; V120-W150 WeakPolarHBondContact O-CB 3.35Å; V120-W150 PolarHBondContact O-N 3.16Å
121V97.7Very high94.3Very high22 Ų2240.6 Ų40.613%0.13322%0.222CC..EExtended strand (participates in β ladder)trans-110.1128.5-179.6174.70000110V81 G82 L84 W150 V152V81-V121 HydrophobicContact CG1-CB 4.41Å; V81-V121 HydrophobicContact CG1-CG2 3.35Å; G82-V121 PolarHBondContact O-N 2.75Å; L84-V121 PolarHBondContact N-O 3.32Å; V121-W150 CarbonylContact C-O 3.52Å; V121-W150 VanDerWaalsContact CA-O 3.28Å; V121-W150 WeakPolarHBondContact CA-O 3.33Å; V121-W150 HydrophobicContact CB-CB 4.45Å; V121-W150 HydrophobicContact CG2-CB 3.69Å; V121-W150 HydrophobicContact CG2-CD2 4.37Å; V121-W150 HydrophobicContact CG2-CE3 3.82Å; V121-W150 HydrophobicContact CG2-CG 4.39Å; V121-V152 HydrophobicContact CG1-CG2 3.29Å
122I96.3Very high94.4Very high15 Ų1538.8 Ų38.88%0.07722%0.215CC..EExtended strand (participates in β ladder)trans-132.3135174.7-175.1170.8000110.1L84 L105 L132 V149 W150 L151 V152L84-I122 HydrophobicContact CD1-CB 4.02Å; L84-I122 HydrophobicContact CD1-CD1 4.15Å; L84-I122 HydrophobicContact CD1-CG1 4.38Å; L84-I122 HydrophobicContact CG-CB 4.5Å; L105-I122 HydrophobicContact CD1-CD1 3.91Å; I122-L132 HydrophobicContact CD1-CD1 3.6Å; I122-L132 HydrophobicContact CD1-CD2 4.43Å; I122-V149 HydrophobicContact CG2-CG1 3.72Å; I122-W150 PolarHBondContact N-O 3.11Å; I122-L151 HydrophobicContact CG2-CD2 3.46Å; I122-L151 VanDerWaalsContact CG2-CD2 3.46Å; I122-L151 HydrophobicContact CG2-CG 4.34Å; I122-L151 CarbonylContact O-C 3.53Å; I122-L151 WeakPolarHBondContact O-CA 3.35Å; I122-V152 PolarHBondContact O-N 3.11Å
123R95.4Very high94.5Very high101 Ų10139 Ų3938%0.38122%0.216SC..EExtended strand (participates in β ladder)trans-88.7132.9-180-167.7175-175.6931.3110.9N125 V152 E206R123-N125 VanDerWaalsContact CD-OD1 3.26Å; R123-N125 WeakPolarHBondContact CD-OD1 3.5Å; R123-N125 VanDerWaalsContact CG-OD1 3.29Å; R123-N125 WeakPolarHBondContact CG-OD1 3.35Å; R123-N125 PolarHBondContact NE-OD1 2.94Å; R123-V152 HydrophobicContact CB-CB 4.31Å; R123-V152 HydrophobicContact CG-CB 4.16Å; R123-E206 IonicContact CZ-OE2 3.23Å; R123-E206 VanDerWaalsContact CZ-OE2 3.23Å; R123-E206 IonicContact NH1-OE2 2.79Å; R123-E206 PolarHBondContact NH1-OE2 3.2Å; R123-E206 IonicContact NH2-OE2 2.73Å; R123-E206 PolarHBondContact NH2-OE2 3.14Å
124V94.6Very high94.6Very high2 Ų244 Ų441%0.01223%0.232CC..  trans-97.6111.7174.8-177.60000109N129 L132 L151 V152 F153 W186 L190V124-N129 WeakPolarHBondContact CG1-ND2 3.31Å; V124-L132 HydrophobicContact CG2-CD2 4.44Å; V124-L151 HydrophobicContact CG2-CB 4.29Å; V124-L151 HydrophobicContact CG2-CD2 3.64Å; V124-V152 PolarHBondContact N-O 2.99Å; V124-V152 VanDerWaalsContact N-O 3.12Å; V124-F153 HydrophobicContact CB-CD1 4.1Å; V124-F153 HydrophobicContact CB-CE1 3.57Å; V124-F153 HydrophobicContact CB-CZ 3.86Å; V124-F153 HydrophobicContact CG1-CD1 4.41Å; V124-F153 HydrophobicContact CG1-CE1 3.62Å; V124-F153 HydrophobicContact CG1-CZ 4.11Å; V124-F153 HydrophobicContact CG2-CE1 3.94Å; V124-F153 HydrophobicContact CG2-CE2 4.2Å; V124-F153 HydrophobicContact CG2-CZ 3.65Å; V124-W186 HydrophobicContact CG1-CE3 4.49Å; V124-L190 HydrophobicContact CG2-CD2 4.12Å
125N85.8Confident94.8Very high96 Ų9638.8 Ų38.851%0.51321%0.209SC..  trans-106.9-0.1-169.8-68-44.1000114.6R123R123-N125 VanDerWaalsContact CD-OD1 3.26Å; R123-N125 WeakPolarHBondContact CD-OD1 3.5Å; R123-N125 VanDerWaalsContact CG-OD1 3.29Å; R123-N125 WeakPolarHBondContact CG-OD1 3.35Å; R123-N125 PolarHBondContact NE-OD1 2.94Å
126R88.6Confident94.9Very high67 Ų6738 Ų3825%0.25321%0.205SC..SBendtrans-143.3157.7-176.963-177.471.3-145.9-8.7112D89 D91 T128 N129D89-R126 IonicContact OD1-CZ 3.71Å; D89-R126 VanDerWaalsContact OD1-CZ 3.25Å; D89-R126 IonicContact OD1-NE 2.67Å; D89-R126 IonicContact OD1-NH1 2.91Å; D89-R126 IonicContact OD1-NH2 3.63Å; D89-R126 PolarHBondContact OD1-NH2 3.45Å; D89-R126 IonicContact OD2-CZ 3.81Å; D89-R126 IonicContact OD2-NH2 2.87Å; D89-R126 PolarHBondContact OD2-NH2 3.11Å; D91-R126 PolarHBondContact O-NH1 2.78Å; R126-T128 VanDerWaalsContact C-N 3.33Å; R126-T128 VanDerWaalsContact CD-O 3.28Å; R126-T128 WeakPolarHBondContact CD-O 3.41Å; R126-T128 WeakPolarHBondContact CG-O 3.47Å; R126-T128 PolarHBondContact O-N 2.94Å; R126-N129 WeakPolarHBondContact CG-OD1 3.24Å; R126-N129 PolarHBondContact O-ND2 3.16Å
127P90.3Very high95.1Very high37 Ų3737.7 Ų37.724%0.2419%0.194CC..SBendtrans-64-30.5-177.7-21.230.7000116I180 W186 N189P127-I180 HydrophobicContact CG-CG2 4.04Å; P127-W186 VanDerWaalsContact CA-CD1 3.44Å; P127-W186 HydrophobicContact CB-CG 4.36Å; P127-W186 HydrophobicContact CG-CZ2 3.97Å; P127-N189 PolarHBondContact O-ND2 3.38Å
128T91Very high95.1Very high89 Ų8941.7 Ų41.755%0.54622%0.215SC..  trans-129.5127.2-174.651.50000110.4R126R126-T128 VanDerWaalsContact C-N 3.33Å; R126-T128 VanDerWaalsContact CD-O 3.28Å; R126-T128 WeakPolarHBondContact CD-O 3.41Å; R126-T128 WeakPolarHBondContact CG-O 3.47Å; R126-T128 PolarHBondContact O-N 2.94Å
129N94.7Very high95.2Very high9 Ų939 Ų395%0.04820%0.197CC..  trans-137.460.3-173.3-54.3-94.4000112.3D91 V124 R126 L132 A133D91-N129 VanDerWaalsContact OD2-C 3.31Å; D91-N129 VanDerWaalsContact OD2-CA 3.25Å; D91-N129 WeakPolarHBondContact OD2-CA 3.27Å; V124-N129 WeakPolarHBondContact CG1-ND2 3.31Å; R126-N129 WeakPolarHBondContact CG-OD1 3.24Å; R126-N129 PolarHBondContact O-ND2 3.16Å; N129-L132 HydrophobicContact CB-CB 3.83Å; N129-L132 HydrophobicContact CB-CD2 4.12Å; N129-L132 PolarHBondContact O-N 2.94Å; N129-A133 WeakPolarHBondContact O-CB 3.5Å; N129-A133 PolarHBondContact O-N 3.15Å
130P96.7Very high95.2Very high70 Ų7040.5 Ų40.546%0.45520%0.204SC..Hα-helixtrans-66.7-37.4-174.826.7-35.2000113.8D91 A133 R134 M193D91-P130 VanDerWaalsContact OD1-CD 3.27Å; D91-P130 WeakPolarHBondContact OD1-CD 3.49Å; P130-A133 PolarHBondContact O-N 2.95Å; P130-R134 WeakPolarHBondContact O-CB 3.43Å; P130-R134 PolarHBondContact O-N 3.38Å; P130-M193 HydrophobicContact CB-SD 4.14Å
131N97.2Very high94.9Very high48 Ų4848.1 Ų48.126%0.25723%0.233SC..Hα-helixtrans-72.5-38.5177.4-68.3-66.2000111.2V90 D91 A133 R134 L135V90-N131 HydrophobicContact CB-CB 4.42Å; V90-N131 HydrophobicContact CG2-CB 4.36Å; V90-N131 WeakPolarHBondContact O-CB 3.26Å; V90-N131 PolarHBondContact O-ND2 3.1Å; D91-N131 WeakPolarHBondContact OD1-CB 3.41Å; D91-N131 PolarHBondContact OD1-N 2.95Å; D91-N131 PolarHBondContact OD1-ND2 3.29Å; D91-N131 PolarHBondContact OD2-N 3.5Å; N131-A133 VanDerWaalsContact C-N 3.34Å; N131-R134 PolarHBondContact O-N 3.4Å; N131-L135 WeakPolarHBondContact O-CB 3.35Å; N131-L135 VanDerWaalsContact O-CG 3.24Å; N131-L135 WeakPolarHBondContact O-CG 3.5Å; N131-L135 PolarHBondContact O-N 3.24Å
132L97.4Very high94.7Very high6 Ų650.1 Ų50.13%0.03126%0.258CS..Hα-helixtrans-56.9-50.6172-17958.7000110.6V90 D91 L105 I122 V124 N129 R134 L135 L136V90-L132 HydrophobicContact CG2-CB 3.64Å; V90-L132 HydrophobicContact CG2-CD1 4.19Å; V90-L132 HydrophobicContact CG2-CG 4.49Å; D91-L132 PolarHBondContact OD2-N 3.15Å; D91-L132 VanDerWaalsContact OD2-N 3.08Å; L105-L132 HydrophobicContact CD2-CD1 3.83Å; I122-L132 HydrophobicContact CD1-CD1 3.6Å; I122-L132 HydrophobicContact CD1-CD2 4.43Å; V124-L132 HydrophobicContact CG2-CD2 4.44Å; N129-L132 HydrophobicContact CB-CB 3.83Å; N129-L132 HydrophobicContact CB-CD2 4.12Å; N129-L132 PolarHBondContact O-N 2.94Å; L132-R134 PolarHBondContact O-N 2.97Å; L132-L135 PolarHBondContact O-N 2.96Å; L132-L136 HydrophobicContact CD1-CD1 3.96Å; L132-L136 HydrophobicContact CD1-CD2 4.36Å; L132-L136 HydrophobicContact CD1-CG 3.94Å; L132-L136 HydrophobicContact CG-CD1 3.96Å; L132-L136 HydrophobicContact CG-CG 4.31Å; L132-L136 WeakPolarHBondContact O-CB 3.3Å; L132-L136 VanDerWaalsContact O-CG 3.29Å; L132-L136 WeakPolarHBondContact O-CG 3.48Å; L132-L136 PolarHBondContact O-N 3.11Å
133A97.5Very high94.5Very high3 Ų352.7 Ų52.73%0.02527%0.27CS..Hα-helixtrans-53.3-52176.800000111.6N129 P130 N131 L135 L136 I137 L190 M193 T194N129-A133 WeakPolarHBondContact O-CB 3.5Å; N129-A133 PolarHBondContact O-N 3.15Å; P130-A133 PolarHBondContact O-N 2.95Å; N131-A133 VanDerWaalsContact C-N 3.34Å; A133-L135 PolarHBondContact O-N 3.48Å; A133-L136 PolarHBondContact O-N 3.15Å; A133-I137 WeakPolarHBondContact O-CD1 3.33Å; A133-I137 VanDerWaalsContact O-CG1 3.22Å; A133-I137 WeakPolarHBondContact O-CG1 3.38Å; A133-I137 PolarHBondContact O-N 3.25Å; A133-L190 HydrophobicContact CB-CD1 3.8Å; A133-M193 HydrophobicContact CB-CB 3.77Å; A133-M193 HydrophobicContact CB-CE 4.2Å; A133-M193 HydrophobicContact CB-SD 4.39Å; A133-T194 HydrophobicContact CB-CG2 3.61Å
134R97.6Very high94.1Very high118 Ų11858.4 Ų58.445%0.44529%0.293SS..Hα-helixtrans-59.7-43.9179.6-170.3-166.766.674.6-1.1112.6P130 N131 L132 N138P130-R134 WeakPolarHBondContact O-CB 3.43Å; P130-R134 PolarHBondContact O-N 3.38Å; N131-R134 PolarHBondContact O-N 3.4Å; L132-R134 PolarHBondContact O-N 2.97Å; R134-N138 PolarHBondContact NH1-ND2 3.19Å; R134-N138 VanDerWaalsContact NH1-ND2 3.12Å; R134-N138 WeakPolarHBondContact O-CB 3.38Å; R134-N138 VanDerWaalsContact O-CG 3.31Å; R134-N138 PolarHBondContact O-N 2.85Å; R134-N138 PolarHBondContact O-OD1 3.36Å
135L97.5Very high93.7Very high10 Ų1061.6 Ų61.65%0.05231%0.312CS..Hα-helixtrans-68.4-42.3-179.1-72.2168.3000111.5V90 A102 L105 M106 N131 L132 A133 N138 F139V90-L135 HydrophobicContact CB-CD1 3.94Å; V90-L135 HydrophobicContact CG1-CD1 3.87Å; V90-L135 HydrophobicContact CG2-CD1 4.39Å; A102-L135 HydrophobicContact CB-CD1 3.76Å; L105-L135 HydrophobicContact CD2-CB 4.05Å; L105-L135 HydrophobicContact CD2-CD1 3.96Å; M106-L135 HydrophobicContact CG-CD2 4.24Å; M106-L135 HydrophobicContact SD-CB 4.46Å; M106-L135 HydrophobicContact SD-CD2 4.12Å; N131-L135 WeakPolarHBondContact O-CB 3.35Å; N131-L135 VanDerWaalsContact O-CG 3.24Å; N131-L135 WeakPolarHBondContact O-CG 3.5Å; N131-L135 PolarHBondContact O-N 3.24Å; L132-L135 PolarHBondContact O-N 2.96Å; A133-L135 PolarHBondContact O-N 3.48Å; L135-N138 PolarHBondContact O-N 3.31Å; L135-F139 WeakPolarHBondContact O-CB 3.31Å; L135-F139 PolarHBondContact O-N 3.18Å
136L97.2Very high93.8Very high0 Ų062.8 Ų62.80%033%0.325CS..Hα-helixtrans-62.5-43175-67.9179.6000111.8L109 L132 A133 N138 F139 I140 V149 I197L109-L136 HydrophobicContact CD1-CD2 4.11Å; L132-L136 HydrophobicContact CD1-CD1 3.96Å; L132-L136 HydrophobicContact CD1-CD2 4.36Å; L132-L136 HydrophobicContact CD1-CG 3.94Å; L132-L136 HydrophobicContact CG-CD1 3.96Å; L132-L136 HydrophobicContact CG-CG 4.31Å; L132-L136 WeakPolarHBondContact O-CB 3.3Å; L132-L136 VanDerWaalsContact O-CG 3.29Å; L132-L136 WeakPolarHBondContact O-CG 3.48Å; L132-L136 PolarHBondContact O-N 3.11Å; A133-L136 PolarHBondContact O-N 3.15Å; L136-N138 PolarHBondContact O-N 3.38Å; L136-F139 PolarHBondContact O-N 2.68Å; L136-I140 WeakPolarHBondContact O-CB 3.46Å; L136-I140 VanDerWaalsContact O-CG1 3.29Å; L136-I140 WeakPolarHBondContact O-CG1 3.23Å; L136-I140 PolarHBondContact O-N 2.96Å; L136-V149 HydrophobicContact CD1-CG1 4.38Å; L136-V149 HydrophobicContact CD2-CG1 4.13Å; L136-V149 HydrophobicContact CD2-CG2 4.32Å; L136-I197 HydrophobicContact CB-CD1 4.05Å
137I96.7Very high94Very high31 Ų3159.9 Ų59.916%0.15932%0.315CS..Hα-helixtrans-59.1-49175.1-68161000110.7A133 F139 R141 M193 T194 I197A133-I137 WeakPolarHBondContact O-CD1 3.33Å; A133-I137 VanDerWaalsContact O-CG1 3.22Å; A133-I137 WeakPolarHBondContact O-CG1 3.38Å; A133-I137 PolarHBondContact O-N 3.25Å; I137-F139 VanDerWaalsContact C-N 3.32Å; I137-F139 PolarHBondContact O-N 3.01Å; I137-R141 HydrophobicContact CG2-CG 4.47Å; I137-R141 VanDerWaalsContact O-CB 3.31Å; I137-R141 WeakPolarHBondContact O-CB 3.22Å; I137-R141 WeakPolarHBondContact O-CG 3.33Å; I137-R141 PolarHBondContact O-N 3.4Å; I137-M193 WeakPolarHBondContact CD1-O 3.47Å; I137-T194 HydrophobicContact CD1-CG2 4.26Å; I137-T194 HydrophobicContact CG1-CG2 4.21Å; I137-I197 HydrophobicContact CG1-CD1 3.96Å; I137-I197 HydrophobicContact CG1-CG1 4.05Å
138N95.9Very high94.3Very high89 Ų8962.7 Ų62.748%0.47632%0.323SS..Hα-helixtrans-61-42.4-179.7-78.37.6000112R134 L135 L136 G142R134-N138 PolarHBondContact NH1-ND2 3.19Å; R134-N138 VanDerWaalsContact NH1-ND2 3.12Å; R134-N138 WeakPolarHBondContact O-CB 3.38Å; R134-N138 VanDerWaalsContact O-CG 3.31Å; R134-N138 PolarHBondContact O-N 2.85Å; R134-N138 PolarHBondContact O-OD1 3.36Å; L135-N138 PolarHBondContact O-N 3.31Å; L136-N138 PolarHBondContact O-N 3.38Å; N138-G142 PolarHBondContact O-N 3.28Å; N138-G142 VanDerWaalsContact O-N 3.14Å
139F96.7Very high94.7Very high3 Ų358.4 Ų58.41%0.01330%0.297CS..Hα-helixtrans-65.2-59.4176.9177.6-109.5000110.9M106 L109 A113 L135 L136 I137 R141 G142 E143 I147M106-F139 HydrophobicContact CE-CB 4.03Å; M106-F139 HydrophobicContact CE-CD2 3.98Å; M106-F139 HydrophobicContact CE-CG 4.45Å; M106-F139 HydrophobicContact SD-CB 4.41Å; L109-F139 HydrophobicContact CB-CD1 4.15Å; L109-F139 HydrophobicContact CB-CD2 3.9Å; L109-F139 HydrophobicContact CB-CE1 3.89Å; L109-F139 HydrophobicContact CB-CE2 3.64Å; L109-F139 HydrophobicContact CB-CG 4.15Å; L109-F139 HydrophobicContact CB-CZ 3.63Å; L109-F139 HydrophobicContact CD1-CB 4.22Å; L109-F139 HydrophobicContact CD1-CD1 3.91Å; L109-F139 HydrophobicContact CD1-CD2 4.42Å; L109-F139 HydrophobicContact CD1-CE1 4.38Å; L109-F139 HydrophobicContact CD1-CG 3.92Å; L109-F139 HydrophobicContact CD2-CD1 4.3Å; L109-F139 HydrophobicContact CD2-CE1 4.04Å; L109-F139 HydrophobicContact CG-CD1 4.36Å; L109-F139 HydrophobicContact CG-CE1 4.33Å; L109-F139 VanDerWaalsContact O-CZ 3.29Å; L109-F139 WeakPolarHBondContact O-CZ 3.37Å; A113-F139 HydrophobicContact CB-CE2 4.47Å; A113-F139 HydrophobicContact CB-CZ 4.04Å; L135-F139 WeakPolarHBondContact O-CB 3.31Å; L135-F139 PolarHBondContact O-N 3.18Å; L136-F139 PolarHBondContact O-N 2.68Å; I137-F139 VanDerWaalsContact C-N 3.32Å; I137-F139 PolarHBondContact O-N 3.01Å; F139-R141 VanDerWaalsContact C-N 3.29Å; F139-R141 PolarHBondContact O-N 3.42Å; F139-G142 PolarHBondContact O-N 3.05Å; F139-E143 HydrophobicContact CD1-CG 4.3Å; F139-E143 HydrophobicContact CD2-CG 3.65Å; F139-E143 HydrophobicContact CE1-CG 4.02Å; F139-E143 VanDerWaalsContact CE2-CD 3.5Å; F139-E143 HydrophobicContact CE2-CG 3.31Å; F139-E143 WeakPolarHBondContact CE2-OE1 3.36Å; F139-E143 HydrophobicContact CG-CG 4.14Å; F139-E143 HydrophobicContact CZ-CG 3.52Å; F139-E143 WeakPolarHBondContact O-CG 3.43Å; F139-E143 PolarHBondContact O-N 3.11Å; F139-I147 HydrophobicContact CE1-CG2 3.56Å; F139-I147 HydrophobicContact CZ-CG2 4.05Å
140I95.8Very high94.8Very high34 Ų3459 Ų5917%0.17430%0.299CS..Hα-helixtrans-60.3-35.8-174.7-65.5-63000112.7L136 I147 V149 I197 A200L136-I140 WeakPolarHBondContact O-CB 3.46Å; L136-I140 VanDerWaalsContact O-CG1 3.29Å; L136-I140 WeakPolarHBondContact O-CG1 3.23Å; L136-I140 PolarHBondContact O-N 2.96Å; I140-I147 HydrophobicContact CD1-CG2 4.02Å; I140-V149 HydrophobicContact CD1-CG2 4.05Å; I140-I197 HydrophobicContact CB-CB 4.49Å; I140-I197 HydrophobicContact CB-CD1 4.27Å; I140-I197 HydrophobicContact CB-CG2 4.19Å; I140-I197 HydrophobicContact CG1-CD1 4.12Å; I140-I197 HydrophobicContact CG2-CB 4.07Å; I140-I197 HydrophobicContact CG2-CG2 3.86Å; I140-A200 HydrophobicContact CD1-CB 4.12Å; I140-A200 HydrophobicContact CG1-CB 4.3Å; I140-A200 HydrophobicContact CG2-CB 3.83Å
141R92.8Very high94.9Very high161 Ų16155.7 Ų55.761%0.60828%0.277SS*.Hα-helixtrans-76.4-25.9175.4-73.3-174.4161.2-179.2-5.3113.8I137 F139 D196 I197I137-R141 HydrophobicContact CG2-CG 4.47Å; I137-R141 VanDerWaalsContact O-CB 3.31Å; I137-R141 WeakPolarHBondContact O-CB 3.22Å; I137-R141 WeakPolarHBondContact O-CG 3.33Å; I137-R141 PolarHBondContact O-N 3.4Å; F139-R141 VanDerWaalsContact C-N 3.29Å; F139-R141 PolarHBondContact O-N 3.42Å; R141-D196 IonicContact CZ-OD2 3.36Å; R141-D196 IonicContact NH1-OD2 2.66Å; R141-D196 IonicContact NH2-OD1 3.89Å; R141-D196 IonicContact NH2-OD2 2.74Å; R141-D196 PolarHBondContact NH2-OD2 3.28Å; R141-I197 HydrophobicContact CG-CG2 4.28Å
142G92.6Very high94.9Very high63 Ų6353.7 Ų53.765%0.64927%0.267SS*.Hα-helixtrans-85.6-25.2179.500000113.4N138 F139N138-G142 PolarHBondContact O-N 3.28Å; N138-G142 VanDerWaalsContact O-N 3.14Å; F139-G142 PolarHBondContact O-N 3.05Å
143E91.6Very high94.9Very high70 Ų7053.4 Ų53.433%0.32727%0.265SS..  trans-77.5134.6-178.2-73.7-52.8133.200112.8F139F139-E143 HydrophobicContact CD1-CG 4.3Å; F139-E143 HydrophobicContact CD2-CG 3.65Å; F139-E143 HydrophobicContact CE1-CG 4.02Å; F139-E143 VanDerWaalsContact CE2-CD 3.5Å; F139-E143 HydrophobicContact CE2-CG 3.31Å; F139-E143 WeakPolarHBondContact CE2-OE1 3.36Å; F139-E143 HydrophobicContact CG-CG 4.14Å; F139-E143 HydrophobicContact CZ-CG 3.52Å; F139-E143 WeakPolarHBondContact O-CG 3.43Å; F139-E143 PolarHBondContact O-N 3.11Å
144Y87.9Confident94.8Very high220 Ų22054.4 Ų54.486%0.86327%0.271SS*.SBendtrans-78-40174.5-178.5-97.1000111.9
145T85.3Confident94.7Very high69 Ų6948.8 Ų48.842%0.42325%0.25SS..SBendtrans-87.3123-178.2-56.80000109.5I147T145-I147 PolarHBondContact O-N 3.38Å
146P88.1Confident94.4Very high121 Ų12150 Ų5079%0.78626%0.258SS*.  trans-62125.8176.5-21.832.9000111.1
147I94.2Very high94Very high6 Ų652.2 Ų52.23%0.03127%0.269CS..  trans-129.4137.1173.1-173.9166.2000109A112 V120 F139 I140 T145A112-I147 HydrophobicContact CB-CD1 3.82Å; V120-I147 HydrophobicContact CG1-CD1 3.97Å; V120-I147 HydrophobicContact CG2-CD1 4.45Å; F139-I147 HydrophobicContact CE1-CG2 3.56Å; F139-I147 HydrophobicContact CZ-CG2 4.05Å; I140-I147 HydrophobicContact CD1-CG2 4.02Å; T145-I147 PolarHBondContact O-N 3.38Å
148K96.5Very high92.8Very high96 Ų9655 Ų5542%0.41728%0.284SS..EExtended strand (participates in β ladder)trans-87.9142.6176.1-62.2-60.1-170.4-176.70110.8P118 A119 V120 D199 A200P118-K148 PolarHBondContact O-N 3.07Å; P118-K148 VanDerWaalsContact O-N 3.12Å; A119-K148 CarbonylContact C-O 3.54Å; A119-K148 WeakPolarHBondContact CA-O 3.3Å; A119-K148 HydrophobicContact CB-CB 4.06Å; V120-K148 PolarHBondContact N-O 2.85Å; K148-D199 PolarHBondContact NZ-O 3.27Å; K148-A200 CarbonylContact C-O 3.59Å; K148-A200 WeakPolarHBondContact CA-O 3.43Å
149V97.9Very high91.4Very high0 Ų052 Ų520%027%0.268CS..EExtended strand (participates in β ladder)trans-110.7111.4173.6-1770000108.4V120 I122 L136 I140 L151 A200 L201 G202V120-V149 HydrophobicContact CG2-CB 4.45Å; V120-V149 HydrophobicContact CG2-CG1 4.47Å; V120-V149 HydrophobicContact CG2-CG2 4.01Å; I122-V149 HydrophobicContact CG2-CG1 3.72Å; L136-V149 HydrophobicContact CD1-CG1 4.38Å; L136-V149 HydrophobicContact CD2-CG1 4.13Å; L136-V149 HydrophobicContact CD2-CG2 4.32Å; I140-V149 HydrophobicContact CD1-CG2 4.05Å; V149-L151 HydrophobicContact CG1-CD2 4.41Å; V149-L151 HydrophobicContact CG1-CG 4.38Å; V149-A200 PolarHBondContact N-O 3.04Å; V149-L201 HydrophobicContact CB-CD2 3.87Å; V149-L201 HydrophobicContact CG1-CD2 4.42Å; V149-L201 WeakPolarHBondContact O-CA 3.46Å; V149-G202 PolarHBondContact O-N 3.5Å
150W98.1Very high89.2Confident21 Ų2158.7 Ų58.78%0.0830%0.304CS..EExtended strand (participates in β ladder)trans-90.6112.4178.6-76.116.1000109.5F39 V81 A119 V120 V121 I122 G202 V204 V226 C227F39-W150 HydrophobicContact CE2-CH2 4.19Å; F39-W150 HydrophobicContact CE2-CZ3 4.1Å; F39-W150 HydrophobicContact CZ-CH2 4.31Å; F39-W150 HydrophobicContact CZ-CZ3 4.43Å; V81-W150 HydrophobicContact CG1-CE3 4.03Å; V81-W150 HydrophobicContact CG1-CZ3 4.22Å; V81-W150 HydrophobicContact CG2-CH2 4.1Å; V81-W150 HydrophobicContact CG2-CZ3 4.02Å; A119-W150 HydrophobicContact CB-CD2 4Å; A119-W150 HydrophobicContact CB-CG 4.11Å; A119-W150 HydrophobicContact CB-CZ2 4.17Å; V120-W150 WeakPolarHBondContact O-CB 3.35Å; V120-W150 PolarHBondContact O-N 3.16Å; V121-W150 CarbonylContact C-O 3.52Å; V121-W150 VanDerWaalsContact CA-O 3.28Å; V121-W150 WeakPolarHBondContact CA-O 3.33Å; V121-W150 HydrophobicContact CB-CB 4.45Å; V121-W150 HydrophobicContact CG2-CB 3.69Å; V121-W150 HydrophobicContact CG2-CD2 4.37Å; V121-W150 HydrophobicContact CG2-CE3 3.82Å; V121-W150 HydrophobicContact CG2-CG 4.39Å; I122-W150 PolarHBondContact N-O 3.11Å; W150-G202 CarbonylContact C-O 3.46Å; W150-G202 WeakPolarHBondContact CA-O 3.32Å; W150-V204 HydrophobicContact CB-CG2 3.64Å; W150-V204 HydrophobicContact CD2-CG2 4.15Å; W150-V204 HydrophobicContact CE3-CG2 3.84Å; W150-V204 HydrophobicContact CG-CG2 4.11Å; W150-V226 HydrophobicContact CD2-CG2 3.94Å; W150-V226 HydrophobicContact CG-CG2 4Å; W150-V226 HydrophobicContact CZ2-CG2 4.37Å; W150-C227 HydrophobicContact CE3-CB 4.41Å; W150-C227 HydrophobicContact CZ3-CB 4.16Å
151L98.2Very high86.9Confident0 Ų061.2 Ų61.20%034%0.338CS..EExtended strand (participates in β ladder)trans-97.7116.9-175.8-68.1158.4000109.5I122 V124 V149 F153 W187 L190 L201 G202 V204I122-L151 HydrophobicContact CG2-CD2 3.46Å; I122-L151 VanDerWaalsContact CG2-CD2 3.46Å; I122-L151 HydrophobicContact CG2-CG 4.34Å; I122-L151 CarbonylContact O-C 3.53Å; I122-L151 WeakPolarHBondContact O-CA 3.35Å; V124-L151 HydrophobicContact CG2-CB 4.29Å; V124-L151 HydrophobicContact CG2-CD2 3.64Å; V149-L151 HydrophobicContact CG1-CD2 4.41Å; V149-L151 HydrophobicContact CG1-CG 4.38Å; L151-F153 HydrophobicContact CB-CD2 4.19Å; L151-F153 HydrophobicContact CB-CE2 3.5Å; L151-F153 HydrophobicContact CB-CZ 4.29Å; L151-F153 WeakPolarHBondContact O-CD2 3.3Å; L151-W187 HydrophobicContact CD1-CE3 4.3Å; L151-W187 HydrophobicContact CD1-CZ3 3.69Å; L151-L190 HydrophobicContact CD1-CD2 3.75Å; L151-L190 HydrophobicContact CD2-CD2 3.92Å; L151-L190 HydrophobicContact CG-CD2 4.46Å; L151-L201 HydrophobicContact CD1-CB 4.18Å; L151-L201 HydrophobicContact CD1-CD1 4.13Å; L151-L201 HydrophobicContact CD1-CD2 4.22Å; L151-L201 HydrophobicContact CD1-CG 4.4Å; L151-G202 PolarHBondContact N-O 2.89Å; L151-V204 PolarHBondContact O-N 3.3Å
152V98Very high84.5Confident7 Ų756.1 Ų56.14%0.04233%0.327CS..EExtended strand (participates in β ladder)trans-84123.3-179.5-1690000110.3V121 I122 R123 V124 V204 L229V121-V152 HydrophobicContact CG1-CG2 3.29Å; I122-V152 PolarHBondContact O-N 3.11Å; R123-V152 HydrophobicContact CB-CB 4.31Å; R123-V152 HydrophobicContact CG-CB 4.16Å; V124-V152 PolarHBondContact N-O 2.99Å; V124-V152 VanDerWaalsContact N-O 3.12Å; V152-V204 WeakPolarHBondContact CA-O 3.18Å; V152-V204 HydrophobicContact CB-CB 4.43Å; V152-V204 HydrophobicContact CG1-CG1 4.45Å; V152-V204 HydrophobicContact CG2-CB 4.05Å; V152-V204 HydrophobicContact CG2-CG1 4.3Å; V152-L229 HydrophobicContact CG1-CD2 4.25Å
153F97.1Very high82Confident0 Ų060.7 Ų60.70%034%0.337CS..EExtended strand (participates in β ladder)trans-126.7140.6173-65.4-89.3000110.4V124 L151 P183 W186 W187 L190 I203 V204 E206 W220V124-F153 HydrophobicContact CB-CD1 4.1Å; V124-F153 HydrophobicContact CB-CE1 3.57Å; V124-F153 HydrophobicContact CB-CZ 3.86Å; V124-F153 HydrophobicContact CG1-CD1 4.41Å; V124-F153 HydrophobicContact CG1-CE1 3.62Å; V124-F153 HydrophobicContact CG1-CZ 4.11Å; V124-F153 HydrophobicContact CG2-CE1 3.94Å; V124-F153 HydrophobicContact CG2-CE2 4.2Å; V124-F153 HydrophobicContact CG2-CZ 3.65Å; L151-F153 HydrophobicContact CB-CD2 4.19Å; L151-F153 HydrophobicContact CB-CE2 3.5Å; L151-F153 HydrophobicContact CB-CZ 4.29Å; L151-F153 WeakPolarHBondContact O-CD2 3.3Å; F153-P183 HydrophobicContact CB-CB 4.43Å; F153-W186 HydrophobicContact CD1-CB 4.29Å; F153-W186 HydrophobicContact CE1-CB 3.87Å; F153-W187 HydrophobicContact CE1-CB 4.13Å; F153-W187 HydrophobicContact CE2-CB 4.15Å; F153-W187 HydrophobicContact CE2-CD2 4.49Å; F153-W187 AromaticContact CE2-CE3 3.78Å; F153-W187 HydrophobicContact CE2-CE3 3.78Å; F153-W187 HydrophobicContact CZ-CB 3.9Å; F153-W187 HydrophobicContact CZ-CE3 4.02Å; F153-L190 HydrophobicContact CZ-CD2 4.32Å; F153-I203 HydrophobicContact CD2-CG2 4.15Å; F153-V204 PolarHBondContact N-O 3.01Å; F153-E206 PolarHBondContact O-N 3Å; F153-W220 HydrophobicContact CB-CH2 4.05Å; F153-W220 HydrophobicContact CG-CH2 4.35Å
154P95.6Very high79.8Confident23 Ų2364.5 Ų64.515%0.14935%0.352CS..EExtended strand (participates in β ladder)trans-66.8143164.927.6-29.6000110.4V156 I157 P183P154-V156 PolarHBondContact O-N 2.99Å; P154-I157 HydrophobicContact CG-CG1 4.22Å; P154-P183 HydrophobicContact CB-CG 4.48Å; P154-P183 HydrophobicContact CG-CB 4.18Å; P154-P183 HydrophobicContact CG-CG 3.74Å; P154-P183 WeakPolarHBondContact O-CB 3.4Å; P154-P183 WeakPolarHBondContact O-CG 3.17Å
155L94.9Very high77.7Confident1 Ų157 Ų571%0.00533%0.326CS..SBendtrans-57.7-38.4172.9-17671.8000111.7L205 E206 P208 L211 P212 I217 W220L155-L205 HydrophobicContact CB-CD1 4.29Å; L155-L205 HydrophobicContact CB-CG 4.29Å; L155-L205 HydrophobicContact CD1-CD1 4.1Å; L155-L205 HydrophobicContact CD1-CD2 3.45Å; L155-L205 VanDerWaalsContact CD1-CD2 3.45Å; L155-L205 HydrophobicContact CD1-CG 3.87Å; L155-E206 WeakPolarHBondContact CB-O 3.08Å; L155-E206 PolarHBondContact N-O 3.27Å; L155-P208 HydrophobicContact CB-CG 4.32Å; L155-P208 HydrophobicContact CD2-CG 3.98Å; L155-L211 HydrophobicContact CD2-CD2 4.08Å; L155-P212 VanDerWaalsContact CD2-CD 3.48Å; L155-P212 HydrophobicContact CD2-CG 3.8Å; L155-P212 HydrophobicContact CG-CG 3.99Å; L155-I217 HydrophobicContact CD2-CG1 4.46Å; L155-W220 HydrophobicContact CD1-CG 4.41Å
156V92.3Very high75.4Confident34 Ų3457.7 Ų57.721%0.20633%0.334CS..  trans-152.7152.6179.365.50000110.3P154 P208 P212P154-V156 PolarHBondContact O-N 2.99Å; V156-P208 HydrophobicContact CG1-CB 4.37Å; V156-P208 HydrophobicContact CG1-CG 4.07Å; V156-P212 HydrophobicContact CB-CB 4.06Å; V156-P212 HydrophobicContact CB-CG 4.03Å; V156-P212 HydrophobicContact CG1-CB 4.14Å; V156-P212 HydrophobicContact CG1-CG 4.06Å; V156-P212 HydrophobicContact CG2-CB 4.16Å
157I88.3Confident73.2Confident48 Ų4860.1 Ų60.125%0.24633%0.332CS..  trans-98.2111.9171.7-62.4171.5000108.5P154 L159 P183 W186P154-I157 HydrophobicContact CG-CG1 4.22Å; I157-L159 HydrophobicContact CG2-CD2 4.24Å; I157-L159 HydrophobicContact CG2-CG 4.47Å; I157-L159 PolarHBondContact O-N 3.37Å; I157-P183 HydrophobicContact CD1-CG 3.99Å; I157-P183 HydrophobicContact CG1-CG 3.73Å; I157-W186 HydrophobicContact CD1-CH2 3.56Å; I157-W186 HydrophobicContact CD1-CZ2 3.39Å; I157-W186 HydrophobicContact CD1-CZ3 4.41Å
158N72.2Confident70.8Confident88 Ų8862 Ų6247%0.47134%0.341SS..  trans-77.4101.5176.1-75.2-21.5000110.4N160N158-N160 VanDerWaalsContact C-N 3.27Å; N158-N160 PolarHBondContact O-N 3.07Å
159L65Low68.2Low28 Ų2863.7 Ų63.715%0.14736%0.355CS..G310 helixtrans-78.1-8.9177.6-70.2173.1000113.9I157 G161 S162 M165 Y181I157-L159 HydrophobicContact CG2-CD2 4.24Å; I157-L159 HydrophobicContact CG2-CG 4.47Å; I157-L159 PolarHBondContact O-N 3.37Å; L159-G161 PolarHBondContact O-N 3.1Å; L159-S162 PolarHBondContact O-N 2.84Å; L159-S162 PolarHBondContact O-OG 2.84Å; L159-M165 HydrophobicContact CB-CE 3.57Å; L159-M165 HydrophobicContact CB-SD 4.11Å; L159-M165 HydrophobicContact CD1-CE 3.7Å; L159-M165 HydrophobicContact CD1-SD 3.75Å; L159-M165 HydrophobicContact CG-CE 4.21Å; L159-Y181 HydrophobicContact CD1-CD1 3.77Å; L159-Y181 HydrophobicContact CD1-CD2 4.16Å; L159-Y181 HydrophobicContact CD1-CE1 4.08Å; L159-Y181 HydrophobicContact CD1-CE2 4.46Å; L159-Y181 HydrophobicContact CD1-CG 3.79Å; L159-Y181 HydrophobicContact CD2-CD1 3.72Å; L159-Y181 HydrophobicContact CD2-CE1 3.73Å; L159-Y181 HydrophobicContact CG-CD1 4.21Å
160N52Low65.6Low143 Ų14370.6 Ų70.677%0.76539%0.392SS*.G310 helixtrans-62.5-8.8-172.8-68-9.3000115N158N158-N160 VanDerWaalsContact C-N 3.27Å; N158-N160 PolarHBondContact O-N 3.07Å
161G47.2Very low63Low86 Ų8677.6 Ų77.689%0.88742%0.423SS*.G310 helixtrans-94.1-4.3172.200000115.3L159L159-G161 PolarHBondContact O-N 3.1Å
162S41.5Very low60.3Low54 Ų5487 Ų8738%0.37847%0.467SS..SBendtrans-117.6129.4-178.965.60000110.4L159 K164L159-S162 PolarHBondContact O-N 2.84Å; L159-S162 PolarHBondContact O-OG 2.84Å; S162-K164 PolarHBondContact O-N 3.4Å
163N40.3Very low57.7Low160 Ų16088.6 Ų88.686%0.85648%0.478SS*.THydrogen-bonded Turntrans-59.220.1179.9-91.3-17.4000115.7
164K46.2Very low55.4Low149 Ų14992 Ų9265%0.64850%0.499SS*.THydrogen-bonded Turntrans-95.2-26-177.7-70.2-173.3177.5-178.80113.7S162 K167S162-K164 PolarHBondContact O-N 3.4Å; K164-K167 PolarHBondContact O-N 3Å
165M42.1Very low53.4Low62 Ų6295.5 Ų95.531%0.30552%0.522SS..G310 helixtrans-71.1-34.1-175.7-152.879.7110.900113.7L159 K167 M168 D169L159-M165 HydrophobicContact CB-CE 3.57Å; L159-M165 HydrophobicContact CB-SD 4.11Å; L159-M165 HydrophobicContact CD1-CE 3.7Å; L159-M165 HydrophobicContact CD1-SD 3.75Å; L159-M165 HydrophobicContact CG-CE 4.21Å; M165-K167 PolarHBondContact O-N 3.08Å; M165-M168 PolarHBondContact O-N 3.32Å; M165-D169 PolarHBondContact O-N 3.24Å
166S39Very low51.4Low84 Ų84101.1 Ų101.159%0.58755%0.552SS**G310 helixtrans-63.9-9.617857.90000114.3
167K41Very low49.4Very low172 Ų172103.7 Ų103.775%0.74856%0.562SS**G310 helixtrans-95.6-19.6170.5-77.8-174.7176.5179.50114.1K164 M165K164-K167 PolarHBondContact O-N 3Å; M165-K167 PolarHBondContact O-N 3.08Å
168M42.8Very low48.1Very low45 Ų45106.2 Ų106.222%0.22258%0.575CS.*THydrogen-bonded Turntrans-86.1-29.6-179-96.6178.1162.900112.8M165 N170 K171 E177 Y181M165-M168 PolarHBondContact O-N 3.32Å; M168-N170 PolarHBondContact O-N 2.88Å; M168-K171 PolarHBondContact O-N 2.97Å; M168-E177 HydrophobicContact CE-CB 3.95Å; M168-E177 HydrophobicContact CE-CG 4.42Å; M168-E177 WeakPolarHBondContact CE-OE2 3.22Å; M168-Y181 HydrophobicContact CE-CE2 4.27Å
169D43.2Very low47.8Very low132 Ų132103.9 Ų103.971%0.70657%0.565SS**THydrogen-bonded Turntrans-64.3-9.2178.4-69.9-27.3000114.4M165M165-D169 PolarHBondContact O-N 3.24Å
170N42.9Very low48Very low146 Ų146106.6 Ų106.678%0.78158%0.579SS**THydrogen-bonded Turntrans-112.17.2179.9-76.7-35.3000114.6M168M168-N170 PolarHBondContact O-N 2.88Å
171K42.5Very low49.2Very low167 Ų167103.7 Ų103.773%0.72656%0.558SS**SBendtrans-132.7134.8171.6-78.3-175.7173.4-174.60108.5M168 S173M168-K171 PolarHBondContact O-N 2.97Å; K171-S173 VanDerWaalsContact C-N 3.27Å; K171-S173 PolarHBondContact O-N 3.14Å
172E42.3Very low51.3Low198 Ų198100.1 Ų100.193%0.92552%0.52SS*.  trans-54.798.3163.7-72.6-178.1154.100107.6T174E172-T174 PolarHBondContact O-N 2.96Å
173S44.1Very low53.8Low41 Ų4197.7 Ų97.729%0.28750%0.503SS..  trans-65.8130.3175.718.20000106.7K171K171-S173 VanDerWaalsContact C-N 3.27Å; K171-S173 PolarHBondContact O-N 3.14Å
174T47.9Very low56.4Low72 Ų7290.1 Ų90.144%0.44246%0.462SS..  trans-64.7149.9175.756.10000108.9E172 D176 E177E172-T174 PolarHBondContact O-N 2.96Å; T174-D176 PolarHBondContact O-N 3.13Å; T174-E177 PolarHBondContact O-N 3.17Å
175P52.8Low58.7Low96 Ų9684.1 Ų84.162%0.62344%0.436SS*.Hα-helixtrans-48.7-35.7175.9-28.435000113.2E177 L178 S179P175-E177 PolarHBondContact O-N 3.19Å; P175-L178 PolarHBondContact O-N 3.37Å; P175-S179 PolarHBondContact O-N 3.06Å
176D53.1Low61.3Low118 Ų11882.2 Ų82.263%0.63143%0.426SS*.Hα-helixtrans-61.8-39.2177.3-65.7-22.9000113.4T174 L178 S179T174-D176 PolarHBondContact O-N 3.13Å; D176-L178 VanDerWaalsContact C-N 3.32Å; D176-L178 PolarHBondContact O-N 2.94Å; D176-S179 WeakPolarHBondContact O-CB 3.42Å; D176-S179 PolarHBondContact O-N 2.84Å; D176-S179 PolarHBondContact O-OG 3.45Å
177E52Low64Low89 Ų8978.2 Ų78.242%0.41640%0.398SS..Hα-helixtrans-68.3-32.2-179.4-76.5-173.7165.200112.3M168 T174 P175 S179 Y181M168-E177 HydrophobicContact CE-CB 3.95Å; M168-E177 HydrophobicContact CE-CG 4.42Å; M168-E177 WeakPolarHBondContact CE-OE2 3.22Å; T174-E177 PolarHBondContact O-N 3.17Å; P175-E177 PolarHBondContact O-N 3.19Å; E177-S179 VanDerWaalsContact C-N 3.35Å; E177-Y181 WeakPolarHBondContact O-CD2 3.44Å
178L59.9Low66.6Low101 Ų10171 Ų7153%0.52937%0.367SS..Hα-helixtrans-73.5-28.4176.7-70.7163.1000112P175 D176 I180 Y181P175-L178 PolarHBondContact O-N 3.37Å; D176-L178 VanDerWaalsContact C-N 3.32Å; D176-L178 PolarHBondContact O-N 2.94Å; L178-I180 VanDerWaalsContact C-N 3.32Å; L178-I180 PolarHBondContact O-N 3.03Å; L178-Y181 PolarHBondContact O-N 2.8Å
179S65.7Low69Low38 Ų3872 Ų7227%0.26637%0.374SS..Hα-helixtrans-63.2-36.8-179.278.90000112.8P175 D176 E177 Y181 S182P175-S179 PolarHBondContact O-N 3.06Å; D176-S179 WeakPolarHBondContact O-CB 3.42Å; D176-S179 PolarHBondContact O-N 2.84Å; D176-S179 PolarHBondContact O-OG 3.45Å; E177-S179 VanDerWaalsContact C-N 3.35Å; S179-Y181 PolarHBondContact O-N 3.05Å; S179-S182 PolarHBondContact O-N 2.66Å; S179-S182 VanDerWaalsContact O-N 3.1Å
180I69.1Low71.6Confident86 Ų8665.7 Ų65.744%0.44134%0.34SS..THydrogen-bonded Turntrans-60.7-31.8-179.5-65.7174.8000111.4P127 L178 W186P127-I180 HydrophobicContact CG-CG2 4.04Å; L178-I180 VanDerWaalsContact C-N 3.32Å; L178-I180 PolarHBondContact O-N 3.03Å; I180-W186 PolarHBondContact O-NE1 3.28Å
181Y77.1Confident74.1Confident81 Ų8159.3 Ų59.332%0.31831%0.306SS..THydrogen-bonded Turntrans-96.98.2-178.4-58.6-70.4000113.9L159 M168 E177 L178 S179 P183L159-Y181 HydrophobicContact CD1-CD1 3.77Å; L159-Y181 HydrophobicContact CD1-CD2 4.16Å; L159-Y181 HydrophobicContact CD1-CE1 4.08Å; L159-Y181 HydrophobicContact CD1-CE2 4.46Å; L159-Y181 HydrophobicContact CD1-CG 3.79Å; L159-Y181 HydrophobicContact CD2-CD1 3.72Å; L159-Y181 HydrophobicContact CD2-CE1 3.73Å; L159-Y181 HydrophobicContact CG-CD1 4.21Å; M168-Y181 HydrophobicContact CE-CE2 4.27Å; E177-Y181 WeakPolarHBondContact O-CD2 3.44Å; L178-Y181 PolarHBondContact O-N 2.8Å; S179-Y181 PolarHBondContact O-N 3.05Å; Y181-P183 WeakPolarHBondContact O-CD 3.4Å
182S91.1Very high76.6Confident11 Ų1154.4 Ų54.48%0.07729%0.291CS..  trans-108.4106.5-177.9174.20000110.5S179 W184 H185 W186 R219S179-S182 PolarHBondContact O-N 2.66Å; S179-S182 VanDerWaalsContact O-N 3.1Å; S182-W184 PolarHBondContact O-N 2.68Å; S182-W184 VanDerWaalsContact O-N 3.14Å; S182-H185 WeakPolarHBondContact CB-ND1 3.29Å; S182-H185 WeakPolarHBondContact O-CA 3.4Å; S182-H185 WeakPolarHBondContact O-CB 3.41Å; S182-H185 PolarHBondContact O-N 2.74Å; S182-H185 PolarHBondContact OG-ND1 2.97Å; S182-W186 PolarHBondContact O-N 3.45Å; S182-R219 PolarHBondContact OG-NH1 3.39Å; S182-R219 PolarHBondContact OG-NH2 3.48Å
183P95Very high79.1Confident4 Ų448.6 Ų48.63%0.02627%0.265CS..Hα-helixtrans-57.4-29.5177.1-27.637000113.7F153 P154 I157 Y181 H185 W186 W187 W220F153-P183 HydrophobicContact CB-CB 4.43Å; P154-P183 HydrophobicContact CB-CG 4.48Å; P154-P183 HydrophobicContact CG-CB 4.18Å; P154-P183 HydrophobicContact CG-CG 3.74Å; P154-P183 WeakPolarHBondContact O-CB 3.4Å; P154-P183 WeakPolarHBondContact O-CG 3.17Å; I157-P183 HydrophobicContact CD1-CG 3.99Å; I157-P183 HydrophobicContact CG1-CG 3.73Å; Y181-P183 WeakPolarHBondContact O-CD 3.4Å; P183-H185 VanDerWaalsContact C-N 3.3Å; P183-H185 PolarHBondContact O-N 3.11Å; P183-W186 WeakPolarHBondContact O-CB 3.21Å; P183-W186 PolarHBondContact O-N 2.79Å; P183-W186 VanDerWaalsContact O-N 3.14Å; P183-W187 PolarHBondContact O-N 2.87Å; P183-W220 HydrophobicContact CB-CH2 4.48Å; P183-W220 HydrophobicContact CB-CZ2 4.16Å
184W95.4Very high81.6Confident0 Ų046.7 Ų46.70%025%0.251CS..Hα-helixtrans-62.9-36.7173.1-177.783.9000112S182 W186 W187 L188 R219 W220 E223 D573S182-W184 PolarHBondContact O-N 2.68Å; S182-W184 VanDerWaalsContact O-N 3.14Å; W184-W186 VanDerWaalsContact C-N 3.32Å; W184-W187 PolarHBondContact O-N 3.07Å; W184-L188 HydrophobicContact CH2-CD1 4.48Å; W184-L188 HydrophobicContact CH2-CD2 3.78Å; W184-L188 HydrophobicContact CH2-CG 4.5Å; W184-L188 HydrophobicContact CZ3-CB 4.44Å; W184-L188 HydrophobicContact CZ3-CD2 3.72Å; W184-L188 WeakPolarHBondContact O-CB 3.49Å; W184-L188 PolarHBondContact O-N 2.86Å; W184-R219 HydrophobicContact CD2-CB 4.39Å; W184-R219 HydrophobicContact CG-CB 4.08Å; W184-W220 HydrophobicContact CB-CH2 4.19Å; W184-W220 HydrophobicContact CB-CZ2 3.84Å; W184-E223 PolarHBondContact NE1-OE1 2.97Å; W184-D573 WeakPolarHBondContact CH2-O 3.21Å; W184-D573 HydrophobicContact CZ3-CB 4.24Å
185H94.5Very high83.7Confident23 Ų2345.1 Ų45.111%0.10625%0.245CC..Hα-helixtrans-70.9-30174.2-69.9117.8000111.8S182 P183 L188 N189 D573S182-H185 WeakPolarHBondContact CB-ND1 3.29Å; S182-H185 WeakPolarHBondContact O-CA 3.4Å; S182-H185 WeakPolarHBondContact O-CB 3.41Å; S182-H185 PolarHBondContact O-N 2.74Å; S182-H185 PolarHBondContact OG-ND1 2.97Å; P183-H185 VanDerWaalsContact C-N 3.3Å; P183-H185 PolarHBondContact O-N 3.11Å; H185-L188 PolarHBondContact O-N 2.84Å; H185-N189 WeakPolarHBondContact O-CB 3.2Å; H185-N189 VanDerWaalsContact O-CG 3.23Å; H185-N189 PolarHBondContact O-N 2.83Å; H185-N189 PolarHBondContact O-ND2 3.06Å; H185-D573 WeakPolarHBondContact NE2-CB 3.45Å; H185-D573 IonicContact NE2-OD2 3.76Å
186W95.5Very high85.4Confident23 Ų2345 Ų459%0.08724%0.239CC..Hα-helixtrans-64.6-44.8173.5-55.74.7000110.5V124 P127 F153 I157 I180 S182 P183 W184 L190V124-W186 HydrophobicContact CG1-CE3 4.49Å; P127-W186 VanDerWaalsContact CA-CD1 3.44Å; P127-W186 HydrophobicContact CB-CG 4.36Å; P127-W186 HydrophobicContact CG-CZ2 3.97Å; F153-W186 HydrophobicContact CD1-CB 4.29Å; F153-W186 HydrophobicContact CE1-CB 3.87Å; I157-W186 HydrophobicContact CD1-CH2 3.56Å; I157-W186 HydrophobicContact CD1-CZ2 3.39Å; I157-W186 HydrophobicContact CD1-CZ3 4.41Å; I180-W186 PolarHBondContact O-NE1 3.28Å; S182-W186 PolarHBondContact O-N 3.45Å; P183-W186 WeakPolarHBondContact O-CB 3.21Å; P183-W186 PolarHBondContact O-N 2.79Å; P183-W186 VanDerWaalsContact O-N 3.14Å; W184-W186 VanDerWaalsContact C-N 3.32Å; W186-L190 WeakPolarHBondContact O-CB 3.32Å; W186-L190 PolarHBondContact O-N 2.93Å; W186-L190 VanDerWaalsContact O-N 3.08Å
187W96.3Very high87.3Confident0 Ų039.8 Ų39.80%021%0.211CC..Hα-helixtrans-60.8-46.3171.4165.7-109.3000111.8L151 F153 P183 W184 N189 L190 S191 L201 I203 W220 E223 P224 L506L151-W187 HydrophobicContact CD1-CE3 4.3Å; L151-W187 HydrophobicContact CD1-CZ3 3.69Å; F153-W187 HydrophobicContact CE1-CB 4.13Å; F153-W187 HydrophobicContact CE2-CB 4.15Å; F153-W187 HydrophobicContact CE2-CD2 4.49Å; F153-W187 AromaticContact CE2-CE3 3.78Å; F153-W187 HydrophobicContact CE2-CE3 3.78Å; F153-W187 HydrophobicContact CZ-CB 3.9Å; F153-W187 HydrophobicContact CZ-CE3 4.02Å; P183-W187 PolarHBondContact O-N 2.87Å; W184-W187 PolarHBondContact O-N 3.07Å; W187-N189 PolarHBondContact O-N 3.15Å; W187-L190 PolarHBondContact O-N 3.4Å; W187-S191 WeakPolarHBondContact O-CB 3.26Å; W187-S191 PolarHBondContact O-N 3.05Å; W187-S191 PolarHBondContact O-OG 2.82Å; W187-L201 HydrophobicContact CH2-CB 4.05Å; W187-L201 HydrophobicContact CZ3-CB 4.3Å; W187-L201 HydrophobicContact CZ3-CD1 4.45Å; W187-I203 HydrophobicContact CD2-CD1 3.69Å; W187-I203 HydrophobicContact CD2-CG1 3.89Å; W187-I203 HydrophobicContact CE3-CD1 4.21Å; W187-I203 HydrophobicContact CE3-CG1 3.88Å; W187-I203 HydrophobicContact CG-CD1 4.01Å; W187-I203 HydrophobicContact CG-CG1 4.48Å; W187-I203 HydrophobicContact CH2-CD1 4.4Å; W187-I203 HydrophobicContact CH2-CG1 4.21Å; W187-I203 HydrophobicContact CZ2-CD1 3.92Å; W187-I203 HydrophobicContact CZ2-CG1 4.23Å; W187-I203 HydrophobicContact CZ3-CG1 4.05Å; W187-W220 HydrophobicContact CB-CH2 4.29Å; W187-W220 HydrophobicContact CB-CZ3 4.18Å; W187-W220 HydrophobicContact CG-CZ3 4.36Å; W187-E223 VanDerWaalsContact NE1-CD 3.31Å; W187-E223 PolarHBondContact NE1-OE2 2.87Å; W187-P224 HydrophobicContact CH2-CG 4.02Å; W187-P224 HydrophobicContact CZ2-CG 3.65Å; W187-L506 HydrophobicContact CZ2-CD2 3.86Å
188L95Very high89.3Confident19 Ų1935.7 Ų35.710%0.09919%0.193CC..Hα-helixtrans-56.5-48.5178.2178.860.8000111.8W184 H185 L190 S191 T192 V575W184-L188 HydrophobicContact CH2-CD1 4.48Å; W184-L188 HydrophobicContact CH2-CD2 3.78Å; W184-L188 HydrophobicContact CH2-CG 4.5Å; W184-L188 HydrophobicContact CZ3-CB 4.44Å; W184-L188 HydrophobicContact CZ3-CD2 3.72Å; W184-L188 WeakPolarHBondContact O-CB 3.49Å; W184-L188 PolarHBondContact O-N 2.86Å; H185-L188 PolarHBondContact O-N 2.84Å; L188-L190 PolarHBondContact O-N 2.79Å; L188-S191 WeakPolarHBondContact CA-OG 3.45Å; L188-S191 PolarHBondContact O-OG 3.15Å; L188-T192 VanDerWaalsContact O-CB 3.32Å; L188-T192 WeakPolarHBondContact O-CB 3.43Å; L188-T192 PolarHBondContact O-N 3.09Å; L188-T192 PolarHBondContact O-OG1 3.35Å; L188-V575 HydrophobicContact CD1-CG2 3.27Å
189N94.3Very high90.8Very high67 Ų6732.8 Ų32.836%0.35818%0.178SC..Hα-helixtrans-60-46.7177.6-71.9-21000111.3P127 H185 W187 M193P127-N189 PolarHBondContact O-ND2 3.38Å; H185-N189 WeakPolarHBondContact O-CB 3.2Å; H185-N189 VanDerWaalsContact O-CG 3.23Å; H185-N189 PolarHBondContact O-N 2.83Å; H185-N189 PolarHBondContact O-ND2 3.06Å; W187-N189 PolarHBondContact O-N 3.15Å; N189-M193 WeakPolarHBondContact O-CE 3.49Å; N189-M193 WeakPolarHBondContact O-CG 3.47Å; N189-M193 PolarHBondContact O-N 2.77Å; N189-M193 VanDerWaalsContact O-N 3.09Å
190L96.1Very high92.2Very high0 Ų031.6 Ų31.60%017%0.17CC..Hα-helixtrans-66.4-47.4-178.7-177.858.4000112.1V124 A133 L151 F153 W186 W187 L188 T192 M193 T194V124-L190 HydrophobicContact CG2-CD2 4.12Å; A133-L190 HydrophobicContact CB-CD1 3.8Å; L151-L190 HydrophobicContact CD1-CD2 3.75Å; L151-L190 HydrophobicContact CD2-CD2 3.92Å; L151-L190 HydrophobicContact CG-CD2 4.46Å; F153-L190 HydrophobicContact CZ-CD2 4.32Å; W186-L190 WeakPolarHBondContact O-CB 3.32Å; W186-L190 PolarHBondContact O-N 2.93Å; W186-L190 VanDerWaalsContact O-N 3.08Å; W187-L190 PolarHBondContact O-N 3.4Å; L188-L190 PolarHBondContact O-N 2.79Å; L190-T192 VanDerWaalsContact C-N 3.29Å; L190-T192 PolarHBondContact O-N 2.81Å; L190-M193 HydrophobicContact CD1-CE 4.43Å; L190-M193 PolarHBondContact O-N 2.76Å; L190-T194 HydrophobicContact CD1-CG2 4.01Å; L190-T194 WeakPolarHBondContact O-CB 3.34Å; L190-T194 WeakPolarHBondContact O-CG2 3.12Å; L190-T194 PolarHBondContact O-N 3.19Å; L190-T194 PolarHBondContact O-OG1 2.95Å
191S95.6Very high93.6Very high11 Ų1127.9 Ų27.98%0.07715%0.151CC..Hα-helixtrans-62.8-35.7178.457.50000112W187 L188 T194 A195W187-S191 WeakPolarHBondContact O-CB 3.26Å; W187-S191 PolarHBondContact O-N 3.05Å; W187-S191 PolarHBondContact O-OG 2.82Å; L188-S191 WeakPolarHBondContact CA-OG 3.45Å; L188-S191 PolarHBondContact O-OG 3.15Å; S191-T194 WeakPolarHBondContact CA-OG1 3.18Å; S191-T194 CarbonylContact O-C 3.57Å; S191-T194 VanDerWaalsContact O-C 3.32Å; S191-T194 PolarHBondContact O-N 3.43Å; S191-A195 WeakPolarHBondContact O-CA 3.32Å; S191-A195 PolarHBondContact O-N 2.86Å
192T94.9Very high94.5Very high64 Ų6424.1 Ų24.139%0.39314%0.137SC..Hα-helixtrans-64.2-47.9173.3-55.80000111.5L188 L190 T194 A195 H619L188-T192 VanDerWaalsContact O-CB 3.32Å; L188-T192 WeakPolarHBondContact O-CB 3.43Å; L188-T192 PolarHBondContact O-N 3.09Å; L188-T192 PolarHBondContact O-OG1 3.35Å; L190-T192 VanDerWaalsContact C-N 3.29Å; L190-T192 PolarHBondContact O-N 2.81Å; T192-T194 PolarHBondContact O-N 3.38Å; T192-A195 PolarHBondContact O-N 3.44Å; T192-H619 PolarHBondContact OG1-CE1 3.37Å
193M96Very high94.9Very high77 Ų7723.6 Ų23.638%0.37913%0.133SC..Hα-helixtrans-66.3-26.5177.3-69.2-176-67.600112.7P130 A133 I137 N189 L190P130-M193 HydrophobicContact CB-SD 4.14Å; A133-M193 HydrophobicContact CB-CB 3.77Å; A133-M193 HydrophobicContact CB-CE 4.2Å; A133-M193 HydrophobicContact CB-SD 4.39Å; I137-M193 WeakPolarHBondContact CD1-O 3.47Å; N189-M193 WeakPolarHBondContact O-CE 3.49Å; N189-M193 WeakPolarHBondContact O-CG 3.47Å; N189-M193 PolarHBondContact O-N 2.77Å; N189-M193 VanDerWaalsContact O-N 3.09Å; L190-M193 HydrophobicContact CD1-CE 4.43Å; L190-M193 PolarHBondContact O-N 2.76Å
194T95.6Very high95Very high0 Ų023.7 Ų23.70%013%0.134CC..THydrogen-bonded Turntrans-106.822.5-178.258.90000112.9A133 I137 L190 S191 T192 D196 I197 T198 L201A133-T194 HydrophobicContact CB-CG2 3.61Å; I137-T194 HydrophobicContact CD1-CG2 4.26Å; I137-T194 HydrophobicContact CG1-CG2 4.21Å; L190-T194 HydrophobicContact CD1-CG2 4.01Å; L190-T194 WeakPolarHBondContact O-CB 3.34Å; L190-T194 WeakPolarHBondContact O-CG2 3.12Å; L190-T194 PolarHBondContact O-N 3.19Å; L190-T194 PolarHBondContact O-OG1 2.95Å; S191-T194 WeakPolarHBondContact CA-OG1 3.18Å; S191-T194 CarbonylContact O-C 3.57Å; S191-T194 VanDerWaalsContact O-C 3.32Å; S191-T194 PolarHBondContact O-N 3.43Å; T192-T194 PolarHBondContact O-N 3.38Å; T194-D196 PolarHBondContact O-N 3Å; T194-I197 HydrophobicContact CG2-CD1 4.37Å; T194-I197 HydrophobicContact CG2-CG1 4.46Å; T194-I197 WeakPolarHBondContact O-CG1 3.36Å; T194-I197 PolarHBondContact O-N 3.48Å; T194-T198 PolarHBondContact O-N 3.09Å; T194-L201 HydrophobicContact CG2-CD1 4.41Å; T194-L201 WeakPolarHBondContact OG1-CD1 3.5Å
195A92.5Very high95.1Very high39 Ų3923.7 Ų23.732%0.32213%0.134SC..G310 helixtrans-47-40.1-17300000112.5S191 T192 I197 T198 R513S191-A195 WeakPolarHBondContact O-CA 3.32Å; S191-A195 PolarHBondContact O-N 2.86Å; T192-A195 PolarHBondContact O-N 3.44Å; A195-I197 VanDerWaalsContact C-N 3.26Å; A195-I197 PolarHBondContact O-N 2.95Å; A195-T198 PolarHBondContact O-OG1 3.43Å; A195-T198 VanDerWaalsContact O-OG1 3.05Å; A195-R513 VanDerWaalsContact O-CZ 3.24Å; A195-R513 PolarHBondContact O-NH1 3.45Å; A195-R513 PolarHBondContact O-NH2 2.88Å
196D87.9Confident95.3Very high94 Ų9425.7 Ų25.750%0.50314%0.143SC..G310 helixtrans-67.3-15.2-178.8-72.4-20.4000116.1R141 T194R141-D196 IonicContact CZ-OD2 3.36Å; R141-D196 IonicContact NH1-OD2 2.66Å; R141-D196 IonicContact NH2-OD1 3.89Å; R141-D196 IonicContact NH2-OD2 2.74Å; R141-D196 PolarHBondContact NH2-OD2 3.28Å; T194-D196 PolarHBondContact O-N 3Å
197I94Very high95.4Very high8 Ų825 Ų254%0.04114%0.141CC..G310 helixtrans-128.711.1-176.365.2155.8000113L136 I137 I140 R141 T194 A195 D199 A200 L201L136-I197 HydrophobicContact CB-CD1 4.05Å; I137-I197 HydrophobicContact CG1-CD1 3.96Å; I137-I197 HydrophobicContact CG1-CG1 4.05Å; I140-I197 HydrophobicContact CB-CB 4.49Å; I140-I197 HydrophobicContact CB-CD1 4.27Å; I140-I197 HydrophobicContact CB-CG2 4.19Å; I140-I197 HydrophobicContact CG1-CD1 4.12Å; I140-I197 HydrophobicContact CG2-CB 4.07Å; I140-I197 HydrophobicContact CG2-CG2 3.86Å; R141-I197 HydrophobicContact CG-CG2 4.28Å; T194-I197 HydrophobicContact CG2-CD1 4.37Å; T194-I197 HydrophobicContact CG2-CG1 4.46Å; T194-I197 WeakPolarHBondContact O-CG1 3.36Å; T194-I197 PolarHBondContact O-N 3.48Å; A195-I197 VanDerWaalsContact C-N 3.26Å; A195-I197 PolarHBondContact O-N 2.95Å; I197-D199 PolarHBondContact O-N 3.44Å; I197-A200 WeakPolarHBondContact O-CB 3.37Å; I197-A200 PolarHBondContact O-N 3.21Å; I197-L201 HydrophobicContact CD1-CD2 4.2Å; I197-L201 HydrophobicContact CG1-CD1 4.5Å
198T94.1Very high95.3Very high4 Ų425.9 Ų25.93%0.02515%0.147CC..G310 helixtrans-48.6-31.1178.743.60000113.2T194 A195 A200 L201 L506 N510 R513T194-T198 PolarHBondContact O-N 3.09Å; A195-T198 PolarHBondContact O-OG1 3.43Å; A195-T198 VanDerWaalsContact O-OG1 3.05Å; T198-A200 VanDerWaalsContact C-N 3.25Å; T198-A200 PolarHBondContact O-N 3.44Å; T198-L201 PolarHBondContact O-N 2.98Å; T198-L201 VanDerWaalsContact O-N 3.1Å; T198-L506 HydrophobicContact CG2-CD1 4.31Å; T198-L506 HydrophobicContact CG2-CD2 4.24Å; T198-N510 PolarHBondContact OG1-ND2 3.39Å; T198-N510 PolarHBondContact OG1-OD1 3.07Å; T198-R513 PolarHBondContact OG1-NH2 3.14Å; T198-R513 VanDerWaalsContact OG1-NH2 3.15Å
199D91.6Very high95.3Very high40 Ų4029.5 Ų29.521%0.21417%0.166CC..G310 helixtrans-61.9-28.2175.4-67.7-29.6000114.7K148 I197 N510 R513 R514K148-D199 PolarHBondContact NZ-O 3.27Å; I197-D199 PolarHBondContact O-N 3.44Å; D199-N510 WeakPolarHBondContact OD1-CB 3.49Å; D199-N510 PolarHBondContact OD1-ND2 3.19Å; D199-N510 VanDerWaalsContact OD1-ND2 3.1Å; D199-R513 IonicContact OD2-NH2 2.96Å; D199-R514 IonicContact OD1-CZ 2.76Å; D199-R514 IonicContact OD1-NE 2.69Å; D199-R514 PolarHBondContact OD1-NE 3Å; D199-R514 IonicContact OD1-NH2 3.8Å; D199-R514 PolarHBondContact OD1-NH2 3.33Å; D199-R514 IonicContact OD2-CZ 3.76Å; D199-R514 IonicContact OD2-NE 3.06Å; D199-R514 PolarHBondContact OD2-NE 3.44Å; D199-R514 IonicContact OD2-NH2 2.79Å
200A95.1Very high95.2Very high13 Ų1331.7 Ų31.711%0.10718%0.178CC..G310 helixtrans-88.8-9177.500000112.7I140 K148 V149 I197 T198I140-A200 HydrophobicContact CD1-CB 4.12Å; I140-A200 HydrophobicContact CG1-CB 4.3Å; I140-A200 HydrophobicContact CG2-CB 3.83Å; K148-A200 CarbonylContact C-O 3.59Å; K148-A200 WeakPolarHBondContact CA-O 3.43Å; V149-A200 PolarHBondContact N-O 3.04Å; I197-A200 WeakPolarHBondContact O-CB 3.37Å; I197-A200 PolarHBondContact O-N 3.21Å; T198-A200 VanDerWaalsContact C-N 3.25Å; T198-A200 PolarHBondContact O-N 3.44Å
201L97Very high95.1Very high8 Ų833.7 Ų33.74%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-100134.4-176.1-54-174.5000110.6V149 L151 W187 T194 I197 T198V149-L201 HydrophobicContact CB-CD2 3.87Å; V149-L201 HydrophobicContact CG1-CD2 4.42Å; V149-L201 WeakPolarHBondContact O-CA 3.46Å; L151-L201 HydrophobicContact CD1-CB 4.18Å; L151-L201 HydrophobicContact CD1-CD1 4.13Å; L151-L201 HydrophobicContact CD1-CD2 4.22Å; L151-L201 HydrophobicContact CD1-CG 4.4Å; W187-L201 HydrophobicContact CH2-CB 4.05Å; W187-L201 HydrophobicContact CZ3-CB 4.3Å; W187-L201 HydrophobicContact CZ3-CD1 4.45Å; T194-L201 HydrophobicContact CG2-CD1 4.41Å; T194-L201 WeakPolarHBondContact OG1-CD1 3.5Å; I197-L201 HydrophobicContact CD1-CD2 4.2Å; I197-L201 HydrophobicContact CG1-CD1 4.5Å; T198-L201 PolarHBondContact O-N 2.98Å; T198-L201 VanDerWaalsContact O-N 3.1Å
202G97.3Very high95Very high2 Ų234.4 Ų34.42%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-129.4149.9171.900000110.7V149 W150 L151V149-G202 PolarHBondContact O-N 3.5Å; W150-G202 CarbonylContact C-O 3.46Å; W150-G202 WeakPolarHBondContact CA-O 3.32Å; L151-G202 PolarHBondContact N-O 2.89Å
203I98.3Very high94.8Very high0 Ų036 Ų360%020%0.199CC..EExtended strand (participates in β ladder)trans-96.1129.9179.4-63.1155.8000109.8F153 W187 L205 W220 E223 P224 V225 V226 C227F153-I203 HydrophobicContact CD2-CG2 4.15Å; W187-I203 HydrophobicContact CD2-CD1 3.69Å; W187-I203 HydrophobicContact CD2-CG1 3.89Å; W187-I203 HydrophobicContact CE3-CD1 4.21Å; W187-I203 HydrophobicContact CE3-CG1 3.88Å; W187-I203 HydrophobicContact CG-CD1 4.01Å; W187-I203 HydrophobicContact CG-CG1 4.48Å; W187-I203 HydrophobicContact CH2-CD1 4.4Å; W187-I203 HydrophobicContact CH2-CG1 4.21Å; W187-I203 HydrophobicContact CZ2-CD1 3.92Å; W187-I203 HydrophobicContact CZ2-CG1 4.23Å; W187-I203 HydrophobicContact CZ3-CG1 4.05Å; I203-L205 HydrophobicContact CG2-CB 4.44Å; I203-W220 HydrophobicContact CD1-CE3 4.15Å; I203-W220 HydrophobicContact CD1-CZ3 3.97Å; I203-W220 HydrophobicContact CG2-CE3 4.24Å; I203-W220 HydrophobicContact CG2-CZ3 3.94Å; I203-E223 HydrophobicContact CD1-CB 3.53Å; I203-E223 HydrophobicContact CD1-CG 4.41Å; I203-P224 HydrophobicContact CD1-CG 4.22Å; I203-P224 PolarHBondContact N-O 3.22Å; I203-V225 HydrophobicContact CB-CG2 4.25Å; I203-V225 HydrophobicContact CD1-CG2 4.43Å; I203-V225 HydrophobicContact CG2-CG2 4.2Å; I203-V226 WeakPolarHBondContact O-CG2 3.08Å; I203-V226 PolarHBondContact O-N 3.04Å; I203-C227 PolarHBondContact O-N 2.61Å
204V98.5Very high94.7Very high6 Ų636.5 Ų36.54%0.03620%0.2CC..EExtended strand (participates in β ladder)trans-102.1113.3165.1-178.10000107.4W150 L151 V152 F153 C227 L229W150-V204 HydrophobicContact CB-CG2 3.64Å; W150-V204 HydrophobicContact CD2-CG2 4.15Å; W150-V204 HydrophobicContact CE3-CG2 3.84Å; W150-V204 HydrophobicContact CG-CG2 4.11Å; L151-V204 PolarHBondContact O-N 3.3Å; V152-V204 WeakPolarHBondContact CA-O 3.18Å; V152-V204 HydrophobicContact CB-CB 4.43Å; V152-V204 HydrophobicContact CG1-CG1 4.45Å; V152-V204 HydrophobicContact CG2-CB 4.05Å; V152-V204 HydrophobicContact CG2-CG1 4.3Å; F153-V204 PolarHBondContact N-O 3.01Å; V204-C227 CarbonylContact C-O 3.54Å; V204-C227 VanDerWaalsContact CA-O 3.31Å; V204-C227 WeakPolarHBondContact CA-O 3.4Å; V204-C227 HydrophobicContact CB-CB 4.47Å; V204-C227 HydrophobicContact CG1-CB 4.2Å; V204-C227 HydrophobicContact CG2-CB 4.07Å; V204-L229 HydrophobicContact CG1-CB 3.87Å
205L98Very high94.4Very high0 Ų039.3 Ų39.30%022%0.22CC..EExtended strand (participates in β ladder)trans-99.2115.6-174-162.760.1000110.4L155 I203 I207 W220 V225 C227 L228 L229 F256L155-L205 HydrophobicContact CB-CD1 4.29Å; L155-L205 HydrophobicContact CB-CG 4.29Å; L155-L205 HydrophobicContact CD1-CD1 4.1Å; L155-L205 HydrophobicContact CD1-CD2 3.45Å; L155-L205 VanDerWaalsContact CD1-CD2 3.45Å; L155-L205 HydrophobicContact CD1-CG 3.87Å; I203-L205 HydrophobicContact CG2-CB 4.44Å; L205-I207 PolarHBondContact O-N 3.32Å; L205-W220 HydrophobicContact CD1-CD2 3.81Å; L205-W220 HydrophobicContact CD1-CE3 4.11Å; L205-W220 HydrophobicContact CD1-CG 4.35Å; L205-W220 HydrophobicContact CD1-CH2 4.1Å; L205-W220 HydrophobicContact CD1-CZ2 3.81Å; L205-W220 HydrophobicContact CD1-CZ3 4.25Å; L205-W220 HydrophobicContact CD2-CB 4.04Å; L205-W220 HydrophobicContact CD2-CD2 4.13Å; L205-W220 HydrophobicContact CD2-CG 3.83Å; L205-V225 HydrophobicContact CB-CG1 4.29Å; L205-C227 PolarHBondContact N-O 2.86Å; L205-L228 HydrophobicContact CB-CD2 4.02Å; L205-L228 HydrophobicContact CD2-CD2 4.48Å; L205-L228 WeakPolarHBondContact O-CA 3.42Å; L205-L229 PolarHBondContact O-N 2.95Å; L205-F256 HydrophobicContact CD2-CE1 4.39Å; L205-F256 HydrophobicContact CD2-CE2 4.27Å; L205-F256 HydrophobicContact CD2-CZ 3.71Å
206E97.5Very high94.5Very high64 Ų6438.8 Ų38.830%0.29921%0.213SC..EExtended strand (participates in β ladder)trans-79.1118.4177.5-174.9-177.7160.300110.2R123 F153 L155 L229R123-E206 IonicContact CZ-OE2 3.23Å; R123-E206 VanDerWaalsContact CZ-OE2 3.23Å; R123-E206 IonicContact NH1-OE2 2.79Å; R123-E206 PolarHBondContact NH1-OE2 3.2Å; R123-E206 IonicContact NH2-OE2 2.73Å; R123-E206 PolarHBondContact NH2-OE2 3.14Å; F153-E206 PolarHBondContact O-N 3Å; L155-E206 WeakPolarHBondContact CB-O 3.08Å; L155-E206 PolarHBondContact N-O 3.27Å; E206-L229 HydrophobicContact CB-CB 4.44Å; E206-L229 HydrophobicContact CB-CD2 4.4Å; E206-L229 HydrophobicContact CG-CD2 4.29Å
207I97.3Very high94.8Very high9 Ų934.6 Ų34.65%0.04619%0.19CC..PPolyproline II helixtrans-81.9119.6-177.6-57.5-56.7000109.3L205 L211 L228 L229 I230 L234L205-I207 PolarHBondContact O-N 3.32Å; I207-L211 HydrophobicContact CG2-CD2 4.27Å; I207-L228 HydrophobicContact CD1-CB 4.49Å; I207-L228 HydrophobicContact CD1-CD1 4.31Å; I207-L228 HydrophobicContact CD1-CD2 4.15Å; I207-L228 HydrophobicContact CG1-CB 4.19Å; I207-L228 HydrophobicContact CG1-CD1 4.49Å; I207-L229 PolarHBondContact N-O 3.45Å; I207-I230 HydrophobicContact CG1-CG1 4.2Å; I207-L234 HydrophobicContact CG2-CD2 3.83Å
208P95.6Very high94.7Very high19 Ų1935.3 Ų35.312%0.12320%0.196CC..PPolyproline II helixtrans-78.4164.3-177.234.6-37.9000111.4L155 V156 D210 L211 H249L155-P208 HydrophobicContact CB-CG 4.32Å; L155-P208 HydrophobicContact CD2-CG 3.98Å; V156-P208 HydrophobicContact CG1-CB 4.37Å; V156-P208 HydrophobicContact CG1-CG 4.07Å; P208-D210 VanDerWaalsContact C-N 3.32Å; P208-D210 VanDerWaalsContact CG-O 3.22Å; P208-D210 WeakPolarHBondContact CG-O 3.47Å; P208-L211 HydrophobicContact CG-CD2 4.29Å; P208-H249 PolarHBondContact O-NE2 3.19Å
209N93.3Very high94.7Very high94 Ų9436.3 Ų36.350%0.50320%0.199SC..SBendtrans-63.9-38.1170.7-69.6-35.3000112.6L234 H249N209-L234 HydrophobicContact CB-CD1 4.46Å; N209-H249 PolarHBondContact O-CE1 3.38Å; N209-H249 VanDerWaalsContact O-CE1 3.28Å
210D92.6Very high95Very high114 Ų11434.4 Ų34.461%0.6119%0.189SC*.SBendtrans-111.3114.1177.8-60.8-62.9000109P208P208-D210 VanDerWaalsContact C-N 3.32Å; P208-D210 VanDerWaalsContact CG-O 3.22Å; P208-D210 WeakPolarHBondContact CG-O 3.47Å
211L94.3Very high95Very high42 Ų4234.8 Ų34.822%0.2219%0.188CC..  trans-72.8137.7-178.3-67.2164.7000110.7L155 I207 P208 H249 I252L155-L211 HydrophobicContact CD2-CD2 4.08Å; I207-L211 HydrophobicContact CG2-CD2 4.27Å; P208-L211 HydrophobicContact CG-CD2 4.29Å; L211-H249 VanDerWaalsContact CG-NE2 3.32Å; L211-H249 WeakPolarHBondContact CG-NE2 3.28Å; L211-I252 HydrophobicContact CB-CD1 4.18Å; L211-I252 HydrophobicContact CD1-CD1 3.39Å; L211-I252 HydrophobicContact CD1-CG1 4.41Å; L211-I252 HydrophobicContact CD2-CD1 3.51Å; L211-I252 HydrophobicContact CG-CD1 3.84Å
212P93.4Very high94.9Very high25 Ų2534.4 Ų34.416%0.16219%0.186CC..  trans-72.8177.7173.833.3-34.5000110.9L155 V156 V216 I217L155-P212 VanDerWaalsContact CD2-CD 3.48Å; L155-P212 HydrophobicContact CD2-CG 3.8Å; L155-P212 HydrophobicContact CG-CG 3.99Å; V156-P212 HydrophobicContact CB-CB 4.06Å; V156-P212 HydrophobicContact CB-CG 4.03Å; V156-P212 HydrophobicContact CG1-CB 4.14Å; V156-P212 HydrophobicContact CG1-CG 4.06Å; V156-P212 HydrophobicContact CG2-CB 4.16Å; P212-V216 HydrophobicContact CB-CB 3.92Å; P212-V216 HydrophobicContact CB-CG1 3.9Å; P212-V216 HydrophobicContact CB-CG2 4.43Å; P212-V216 HydrophobicContact CG-CB 4.08Å; P212-V216 HydrophobicContact CG-CG1 3.73Å; P212-I217 HydrophobicContact CG-CG1 3.91Å; P212-I217 VanDerWaalsContact O-CD1 3.29Å; P212-I217 WeakPolarHBondContact O-CD1 3.38Å
213N91.9Very high94.9Very high98 Ų9834.7 Ų34.752%0.52419%0.187SC..  trans-65.5164.3175.462.916.5000112.6S215 V216 I217N213-S215 VanDerWaalsContact CG-OG 3.32Å; N213-S215 PolarHBondContact ND2-OG 3.42Å; N213-S215 PolarHBondContact O-N 3.22Å; N213-S215 PolarHBondContact OD1-OG 3.12Å; N213-V216 PolarHBondContact O-N 3.3Å; N213-V216 VanDerWaalsContact O-N 3.14Å; N213-V216 WeakPolarHBondContact OD1-CB 3.18Å; N213-V216 WeakPolarHBondContact OD1-CG2 3.37Å; N213-V216 PolarHBondContact OD1-N 2.88Å; N213-I217 WeakPolarHBondContact O-CG1 3.42Å; N213-I217 PolarHBondContact O-N 3.28Å
214E93.1Very high94.8Very high87 Ų8735.5 Ų35.541%0.40719%0.193SC..Hα-helixtrans-60.8-30.8-178.9-177.758.4-150.400112.9V216 I217 S218 R255E214-V216 VanDerWaalsContact C-N 3.31Å; E214-V216 PolarHBondContact O-N 3.16Å; E214-I217 PolarHBondContact O-N 2.89Å; E214-S218 WeakPolarHBondContact O-CB 3.43Å; E214-S218 PolarHBondContact O-N 3.26Å; E214-S218 PolarHBondContact O-OG 2.88Å; E214-S218 VanDerWaalsContact O-OG 3.11Å; E214-R255 IonicContact OE1-CZ 3.16Å; E214-R255 VanDerWaalsContact OE1-CZ 3.25Å; E214-R255 IonicContact OE1-NH1 3.64Å; E214-R255 PolarHBondContact OE1-NH1 3.05Å; E214-R255 IonicContact OE1-NH2 3.6Å; E214-R255 PolarHBondContact OE1-NH2 3.19Å; E214-R255 IonicContact OE2-NH1 2.75Å; E214-R255 PolarHBondContact OE2-NH1 3.06Å
215S90Very high94.7Very high59 Ų5935.6 Ų35.641%0.41319%0.193SC..Hα-helixtrans-67-30.917858.60000112.8N213 S218 R219N213-S215 VanDerWaalsContact CG-OG 3.32Å; N213-S215 PolarHBondContact ND2-OG 3.42Å; N213-S215 PolarHBondContact O-N 3.22Å; N213-S215 PolarHBondContact OD1-OG 3.12Å; S215-S218 PolarHBondContact O-OG 3.43Å; S215-R219 WeakPolarHBondContact O-CG 3.45Å
216V92.8Very high94.7Very high29 Ų2937.7 Ų37.718%0.17621%0.206CC..Hα-helixtrans-76.8-44.3173.1171.60000111.3P212 N213 E214P212-V216 HydrophobicContact CB-CB 3.92Å; P212-V216 HydrophobicContact CB-CG1 3.9Å; P212-V216 HydrophobicContact CB-CG2 4.43Å; P212-V216 HydrophobicContact CG-CB 4.08Å; P212-V216 HydrophobicContact CG-CG1 3.73Å; N213-V216 PolarHBondContact O-N 3.3Å; N213-V216 VanDerWaalsContact O-N 3.14Å; N213-V216 WeakPolarHBondContact OD1-CB 3.18Å; N213-V216 WeakPolarHBondContact OD1-CG2 3.37Å; N213-V216 PolarHBondContact OD1-N 2.88Å; E214-V216 VanDerWaalsContact C-N 3.31Å; E214-V216 PolarHBondContact O-N 3.16Å
217I94.7Very high94.7Very high6 Ų634.7 Ų34.73%0.03119%0.192CC..Hα-helixtrans-64-46-178.5-59.2161.5000110.1L155 P212 N213 E214 R219 W220 F221 I252L155-I217 HydrophobicContact CD2-CG1 4.46Å; P212-I217 HydrophobicContact CG-CG1 3.91Å; P212-I217 VanDerWaalsContact O-CD1 3.29Å; P212-I217 WeakPolarHBondContact O-CD1 3.38Å; N213-I217 WeakPolarHBondContact O-CG1 3.42Å; N213-I217 PolarHBondContact O-N 3.28Å; E214-I217 PolarHBondContact O-N 2.89Å; I217-R219 PolarHBondContact O-N 3.37Å; I217-R219 VanDerWaalsContact O-N 3.14Å; I217-W220 PolarHBondContact O-N 2.93Å; I217-F221 HydrophobicContact CG2-CE2 3.91Å; I217-F221 HydrophobicContact CG2-CZ 4.44Å; I217-I252 HydrophobicContact CD1-CD1 3.4Å; I217-I252 HydrophobicContact CD1-CG1 4.25Å; I217-I252 HydrophobicContact CG1-CD1 4.24Å; I217-I252 HydrophobicContact CG2-CD1 4.43Å; I217-I252 HydrophobicContact CG2-CG2 4.29Å
218S93.3Very high94.7Very high22 Ų2234.3 Ų34.315%0.15419%0.19CC..Hα-helixtrans-58.1-35.8-170.167.50000112.2E214 S215 W220 F221 Q538E214-S218 WeakPolarHBondContact O-CB 3.43Å; E214-S218 PolarHBondContact O-N 3.26Å; E214-S218 PolarHBondContact O-OG 2.88Å; E214-S218 VanDerWaalsContact O-OG 3.11Å; S215-S218 PolarHBondContact O-OG 3.43Å; S218-W220 PolarHBondContact O-N 3.29Å; S218-W220 VanDerWaalsContact O-N 3.16Å; S218-F221 WeakPolarHBondContact O-CD2 3.16Å; S218-F221 PolarHBondContact O-N 3.31Å; S218-F221 VanDerWaalsContact O-N 3.08Å; S218-Q538 PolarHBondContact O-NE2 3.04Å; S218-Q538 PolarHBondContact OG-NE2 3.43Å
219R93.5Very high94.8Very high25 Ų2534.4 Ų34.49%0.09419%0.189CC..Hα-helixtrans-52.2-38.6-178.3-69.7-172.2-58179.84112.7S182 W184 S215 I217 F221 S222 Q538S182-R219 PolarHBondContact OG-NH1 3.39Å; S182-R219 PolarHBondContact OG-NH2 3.48Å; W184-R219 HydrophobicContact CD2-CB 4.39Å; W184-R219 HydrophobicContact CG-CB 4.08Å; S215-R219 WeakPolarHBondContact O-CG 3.45Å; I217-R219 PolarHBondContact O-N 3.37Å; I217-R219 VanDerWaalsContact O-N 3.14Å; R219-F221 VanDerWaalsContact C-N 3.28Å; R219-F221 PolarHBondContact O-N 3.47Å; R219-S222 PolarHBondContact O-N 3.33Å; R219-S222 PolarHBondContact O-OG 3.48Å; R219-Q538 VanDerWaalsContact CA-NE2 3.29Å; R219-Q538 VanDerWaalsContact N-NE2 3.18Å
220W96.7Very high95Very high0 Ų029.9 Ų29.90%017%0.165CC..G310 helixtrans-71.6-15.7-176.3-62.6104.5000114.4F153 L155 P183 W184 W187 I203 L205 I217 S218 S222 E223 V225 F256F153-W220 HydrophobicContact CB-CH2 4.05Å; F153-W220 HydrophobicContact CG-CH2 4.35Å; L155-W220 HydrophobicContact CD1-CG 4.41Å; P183-W220 HydrophobicContact CB-CH2 4.48Å; P183-W220 HydrophobicContact CB-CZ2 4.16Å; W184-W220 HydrophobicContact CB-CH2 4.19Å; W184-W220 HydrophobicContact CB-CZ2 3.84Å; W187-W220 HydrophobicContact CB-CH2 4.29Å; W187-W220 HydrophobicContact CB-CZ3 4.18Å; W187-W220 HydrophobicContact CG-CZ3 4.36Å; I203-W220 HydrophobicContact CD1-CE3 4.15Å; I203-W220 HydrophobicContact CD1-CZ3 3.97Å; I203-W220 HydrophobicContact CG2-CE3 4.24Å; I203-W220 HydrophobicContact CG2-CZ3 3.94Å; L205-W220 HydrophobicContact CD1-CD2 3.81Å; L205-W220 HydrophobicContact CD1-CE3 4.11Å; L205-W220 HydrophobicContact CD1-CG 4.35Å; L205-W220 HydrophobicContact CD1-CH2 4.1Å; L205-W220 HydrophobicContact CD1-CZ2 3.81Å; L205-W220 HydrophobicContact CD1-CZ3 4.25Å; L205-W220 HydrophobicContact CD2-CB 4.04Å; L205-W220 HydrophobicContact CD2-CD2 4.13Å; L205-W220 HydrophobicContact CD2-CG 3.83Å; I217-W220 PolarHBondContact O-N 2.93Å; S218-W220 PolarHBondContact O-N 3.29Å; S218-W220 VanDerWaalsContact O-N 3.16Å; W220-S222 PolarHBondContact O-N 2.93Å; W220-E223 HydrophobicContact CE3-CB 4.45Å; W220-E223 HydrophobicContact CE3-CG 4.36Å; W220-E223 PolarHBondContact O-N 3.27Å; W220-V225 HydrophobicContact CB-CG2 4.24Å; W220-V225 HydrophobicContact CE3-CG2 4.5Å; W220-V225 WeakPolarHBondContact O-CG2 3.22Å; W220-F256 HydrophobicContact CB-CE1 4.41Å; W220-F256 HydrophobicContact CB-CZ 4.11Å
221F95.4Very high95.2Very high21 Ų2126.7 Ų26.79%0.09215%0.148CC..G310 helixtrans-74.8-9.7178.7-69.3-77.2000114.3I217 S218 R219 R255 F256 L259 N536 C537I217-F221 HydrophobicContact CG2-CE2 3.91Å; I217-F221 HydrophobicContact CG2-CZ 4.44Å; S218-F221 WeakPolarHBondContact O-CD2 3.16Å; S218-F221 PolarHBondContact O-N 3.31Å; S218-F221 VanDerWaalsContact O-N 3.08Å; R219-F221 VanDerWaalsContact C-N 3.28Å; R219-F221 PolarHBondContact O-N 3.47Å; F221-R255 HydrophobicContact CE1-CB 3.66Å; F221-R255 VanDerWaalsContact CE2-CZ 3.41Å; F221-R255 HydrophobicContact CZ-CB 3.57Å; F221-F256 HydrophobicContact CD1-CD1 4.34Å; F221-F256 HydrophobicContact CD1-CE1 4.22Å; F221-F256 AromaticContact CE1-CD1 3.97Å; F221-F256 HydrophobicContact CE1-CD1 3.97Å; F221-F256 HydrophobicContact CE1-CD2 4.29Å; F221-F256 HydrophobicContact CE1-CE1 4.02Å; F221-F256 HydrophobicContact CE1-CE2 4.34Å; F221-F256 HydrophobicContact CE1-CG 4.1Å; F221-F256 HydrophobicContact CE1-CZ 4.21Å; F221-F256 HydrophobicContact CZ-CD2 4.32Å; F221-F256 HydrophobicContact CZ-CE1 4.46Å; F221-F256 HydrophobicContact CZ-CE2 4.12Å; F221-F256 HydrophobicContact CZ-CZ 4.19Å; F221-L259 HydrophobicContact CB-CD1 4.4Å; F221-L259 HydrophobicContact CD1-CD1 3.66Å; F221-L259 HydrophobicContact CD1-CG 4.3Å; F221-L259 HydrophobicContact CE1-CD1 4.49Å; F221-L259 HydrophobicContact CG-CD1 4.48Å; F221-N536 CarbonylContact O-C 3.58Å; F221-N536 WeakPolarHBondContact O-CA 3.14Å; F221-N536 PolarHBondContact O-OD1 3.42Å; F221-C537 PolarHBondContact O-N 3.08Å
222S95.7Very high95.3Very high0 Ų024.8 Ų24.80%014%0.138CC..G310 helixtrans-101.12.1172.862.30000114R219 W220 Q504 N536R219-S222 PolarHBondContact O-N 3.33Å; R219-S222 PolarHBondContact O-OG 3.48Å; W220-S222 PolarHBondContact O-N 2.93Å; S222-Q504 PolarHBondContact OG-NE2 3.41Å; S222-N536 WeakPolarHBondContact CA-OD1 3.13Å; S222-N536 PolarHBondContact O-OD1 2.96Å
223E96.7Very high95.4Very high8 Ų828.1 Ų28.14%0.03715%0.151CC..SBendtrans-107.1158.2-176.3-55.6-61.1172.500110.6W184 W187 I203 W220 V225 Q504 N536W184-E223 PolarHBondContact NE1-OE1 2.97Å; W187-E223 VanDerWaalsContact NE1-CD 3.31Å; W187-E223 PolarHBondContact NE1-OE2 2.87Å; I203-E223 HydrophobicContact CD1-CB 3.53Å; I203-E223 HydrophobicContact CD1-CG 4.41Å; W220-E223 HydrophobicContact CE3-CB 4.45Å; W220-E223 HydrophobicContact CE3-CG 4.36Å; W220-E223 PolarHBondContact O-N 3.27Å; E223-V225 PolarHBondContact O-N 2.97Å; E223-Q504 PolarHBondContact OE1-NE2 2.74Å; E223-N536 PolarHBondContact N-OD1 3.49Å; E223-N536 PolarHBondContact O-ND2 3.45Å; E223-N536 PolarHBondContact O-OD1 3.29Å
224P96Very high95.6Very high18 Ų1823.8 Ų23.812%0.11713%0.128CC..  trans-76.760.7-179.933.1-37.5000111.8W187 I203 V226 L506W187-P224 HydrophobicContact CH2-CG 4.02Å; W187-P224 HydrophobicContact CZ2-CG 3.65Å; I203-P224 HydrophobicContact CD1-CG 4.22Å; I203-P224 PolarHBondContact N-O 3.22Å; P224-V226 PolarHBondContact O-N 2.95Å; P224-L506 HydrophobicContact CG-CD2 4.26Å
225V97.6Very high95.8Very high8 Ų820.5 Ų20.55%0.04811%0.113CC..EExtended strand (participates in β ladder)trans-66.6117.1170.7-176.90000108.4I203 L205 W220 E223 L228 F256 V261I203-V225 HydrophobicContact CB-CG2 4.25Å; I203-V225 HydrophobicContact CD1-CG2 4.43Å; I203-V225 HydrophobicContact CG2-CG2 4.2Å; L205-V225 HydrophobicContact CB-CG1 4.29Å; W220-V225 HydrophobicContact CB-CG2 4.24Å; W220-V225 HydrophobicContact CE3-CG2 4.5Å; W220-V225 WeakPolarHBondContact O-CG2 3.22Å; E223-V225 PolarHBondContact O-N 2.97Å; V225-L228 HydrophobicContact CG1-CD2 4Å; V225-F256 HydrophobicContact CB-CE1 4.22Å; V225-F256 HydrophobicContact CG1-CD1 4.23Å; V225-F256 HydrophobicContact CG1-CE1 4.07Å; V225-F256 HydrophobicContact CG2-CE1 4.11Å; V225-V261 HydrophobicContact CB-CG2 4.45Å; V225-V261 HydrophobicContact CG1-CG1 3.99Å; V225-V261 HydrophobicContact CG1-CG2 4.18Å; V225-V261 WeakPolarHBondContact O-CG2 3.42Å
226V96.5Very high96Very high44 Ų4422.5 Ų22.527%0.26712%0.118SC..EExtended strand (participates in β ladder)trans-105.2-26.3-179.3-640000111.9W150 I203 P224 Q262W150-V226 HydrophobicContact CD2-CG2 3.94Å; W150-V226 HydrophobicContact CG-CG2 4Å; W150-V226 HydrophobicContact CZ2-CG2 4.37Å; I203-V226 WeakPolarHBondContact O-CG2 3.08Å; I203-V226 PolarHBondContact O-N 3.04Å; P224-V226 PolarHBondContact O-N 2.95Å; V226-Q262 PolarHBondContact O-N 3.37Å
227C97.9Very high96.1Very high0 Ų026 Ų260%014%0.14CC..EExtended strand (participates in β ladder)trans-146.7145.6-178.7-172.40000112.3W150 I203 V204 L205 Q262 V264W150-C227 HydrophobicContact CE3-CB 4.41Å; W150-C227 HydrophobicContact CZ3-CB 4.16Å; I203-C227 PolarHBondContact O-N 2.61Å; V204-C227 CarbonylContact C-O 3.54Å; V204-C227 VanDerWaalsContact CA-O 3.31Å; V204-C227 WeakPolarHBondContact CA-O 3.4Å; V204-C227 HydrophobicContact CB-CB 4.47Å; V204-C227 HydrophobicContact CG1-CB 4.2Å; V204-C227 HydrophobicContact CG2-CB 4.07Å; L205-C227 PolarHBondContact N-O 2.86Å; C227-Q262 CarbonylContact C-O 3.54Å; C227-Q262 WeakPolarHBondContact CA-O 3.4Å; C227-V264 WeakPolarHBondContact SG-CG2 3.3Å
228L98.2Very high96.1Very high1 Ų128.2 Ų28.21%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-99.7131.2162.1-53.7-174.5000109.5L205 I207 V225 I230 I253 F256 V261 Q262 I263 V264L205-L228 HydrophobicContact CB-CD2 4.02Å; L205-L228 HydrophobicContact CD2-CD2 4.48Å; L205-L228 WeakPolarHBondContact O-CA 3.42Å; I207-L228 HydrophobicContact CD1-CB 4.49Å; I207-L228 HydrophobicContact CD1-CD1 4.31Å; I207-L228 HydrophobicContact CD1-CD2 4.15Å; I207-L228 HydrophobicContact CG1-CB 4.19Å; I207-L228 HydrophobicContact CG1-CD1 4.49Å; V225-L228 HydrophobicContact CG1-CD2 4Å; L228-I230 HydrophobicContact CB-CG1 4.4Å; L228-I253 HydrophobicContact CD1-CG1 4.02Å; L228-F256 HydrophobicContact CD1-CB 3.83Å; L228-F256 HydrophobicContact CD1-CD2 3.91Å; L228-F256 HydrophobicContact CD1-CG 4.05Å; L228-F256 HydrophobicContact CD2-CB 4.39Å; L228-F256 HydrophobicContact CD2-CD1 4.21Å; L228-F256 HydrophobicContact CD2-CD2 3.95Å; L228-F256 HydrophobicContact CD2-CE1 4.48Å; L228-F256 HydrophobicContact CD2-CE2 4.24Å; L228-F256 HydrophobicContact CD2-CG 3.93Å; L228-F256 HydrophobicContact CD2-CZ 4.49Å; L228-F256 HydrophobicContact CG-CB 4.38Å; L228-F256 HydrophobicContact CG-CG 4.43Å; L228-V261 HydrophobicContact CD2-CG1 3.99Å; L228-V261 HydrophobicContact CG-CG1 3.74Å; L228-Q262 PolarHBondContact N-O 2.89Å; L228-I263 HydrophobicContact CB-CG1 4.36Å; L228-I263 WeakPolarHBondContact O-CA 3.19Å; L228-V264 PolarHBondContact O-N 3.01Å
229L97.8Very high96.2Very high21 Ų2133.4 Ų33.411%0.1119%0.188CC..EExtended strand (participates in β ladder)trans-97.6117.9173.5-17767000108.7V152 V204 L205 E206 I207 V264 T266V152-L229 HydrophobicContact CG1-CD2 4.25Å; V204-L229 HydrophobicContact CG1-CB 3.87Å; L205-L229 PolarHBondContact O-N 2.95Å; E206-L229 HydrophobicContact CB-CB 4.44Å; E206-L229 HydrophobicContact CB-CD2 4.4Å; E206-L229 HydrophobicContact CG-CD2 4.29Å; I207-L229 PolarHBondContact N-O 3.45Å; L229-V264 HydrophobicContact CD1-CB 3.96Å; L229-V264 HydrophobicContact CD1-CG1 3.63Å; L229-T266 HydrophobicContact CD1-CG2 3.6Å; L229-T266 HydrophobicContact CD2-CG2 4.32Å; L229-T266 HydrophobicContact CG-CG2 3.79Å
230I97.5Very high96.2Very high0 Ų040 Ų400%022%0.217CC..EExtended strand (participates in β ladder)trans-120.8115.4-174.5-53.5-177.7000109.2I207 L228 L234 F235 I253 I263 V264 L265 T266 I282I207-I230 HydrophobicContact CG1-CG1 4.2Å; L228-I230 HydrophobicContact CB-CG1 4.4Å; I230-L234 HydrophobicContact CG2-CB 4.4Å; I230-L234 HydrophobicContact CG2-CD2 3.86Å; I230-F235 HydrophobicContact CG2-CE2 3.64Å; I230-F235 HydrophobicContact CG2-CZ 4.14Å; I230-I253 HydrophobicContact CD1-CD1 3.64Å; I230-I253 HydrophobicContact CD1-CG1 4.33Å; I230-I263 HydrophobicContact CD1-CD1 4.04Å; I230-I263 HydrophobicContact CD1-CG1 4.34Å; I230-I263 HydrophobicContact CD1-CG2 3.73Å; I230-I263 HydrophobicContact CG1-CG2 4.15Å; I230-V264 PolarHBondContact N-O 3.14Å; I230-L265 HydrophobicContact CB-CD2 4.29Å; I230-L265 WeakPolarHBondContact O-CA 3.48Å; I230-T266 PolarHBondContact O-N 2.93Å; I230-I282 HydrophobicContact CD1-CD1 4.36Å
231D96.8Very high96.1Very high47 Ų4741.3 Ų41.325%0.25123%0.231SC..EExtended strand (participates in β ladder)trans-73.1138.7174.5-166.1-62.9000110.5Q233 L234 T266D231-Q233 HydrophobicContact CB-CB 4.41Å; D231-Q233 PolarHBondContact O-N 2.88Å; D231-Q233 WeakPolarHBondContact OD1-CB 3.43Å; D231-Q233 WeakPolarHBondContact OD1-CG 3.11Å; D231-Q233 PolarHBondContact OD1-N 3.21Å; D231-Q233 PolarHBondContact OD1-NE2 3.41Å; D231-Q233 PolarHBondContact OD2-NE2 3.23Å; D231-L234 VanDerWaalsContact O-CB 3.3Å; D231-L234 WeakPolarHBondContact O-CB 3.44Å; D231-L234 PolarHBondContact O-N 3.37Å; D231-T266 CarbonylContact C-O 3.55Å; D231-T266 WeakPolarHBondContact CA-O 3.37Å; D231-T266 HydrophobicContact CB-CG2 4.22Å
232T96.4Very high96.1Very high1 Ų145 Ų451%0.00625%0.245CC..G310 helixtrans-56.8-20.1175550000113.4L234 F235 T266 A268 Y275 Y278T232-L234 PolarHBondContact O-N 3.28Å; T232-F235 PolarHBondContact O-N 2.8Å; T232-T266 WeakPolarHBondContact CG2-O 3.19Å; T232-T266 PolarHBondContact N-O 2.86Å; T232-A268 WeakPolarHBondContact CB-O 3.48Å; T232-A268 PolarHBondContact OG1-O 3.39Å; T232-Y275 HydrophobicContact CG2-CD1 4.45Å; T232-Y275 HydrophobicContact CG2-CE1 4.06Å; T232-Y278 HydrophobicContact CG2-CD1 4.36Å; T232-Y278 HydrophobicContact CG2-CE1 4.07Å; T232-Y278 HydrophobicContact CG2-CE2 4.39Å
233Q95.3Very high96.1Very high95 Ų9545.1 Ų45.144%0.44425%0.246SC..G310 helixtrans-61.2-27.6172.1-7817270.100114.4D231 F235D231-Q233 HydrophobicContact CB-CB 4.41Å; D231-Q233 PolarHBondContact O-N 2.88Å; D231-Q233 WeakPolarHBondContact OD1-CB 3.43Å; D231-Q233 WeakPolarHBondContact OD1-CG 3.11Å; D231-Q233 PolarHBondContact OD1-N 3.21Å; D231-Q233 PolarHBondContact OD1-NE2 3.41Å; D231-Q233 PolarHBondContact OD2-NE2 3.23Å; Q233-F235 PolarHBondContact O-N 3.23Å
234L95.6Very high96.2Very high8 Ų846.2 Ų46.24%0.04225%0.253CS..G310 helixtrans-72.1-21.3-176.6-167.863.3000112.7I207 N209 I230 D231 T232 L245I207-L234 HydrophobicContact CG2-CD2 3.83Å; N209-L234 HydrophobicContact CB-CD1 4.46Å; I230-L234 HydrophobicContact CG2-CB 4.4Å; I230-L234 HydrophobicContact CG2-CD2 3.86Å; D231-L234 VanDerWaalsContact O-CB 3.3Å; D231-L234 WeakPolarHBondContact O-CB 3.44Å; D231-L234 PolarHBondContact O-N 3.37Å; T232-L234 PolarHBondContact O-N 3.28Å; L234-L245 HydrophobicContact CB-CD2 4.01Å; L234-L245 HydrophobicContact CD2-CD2 3.64Å; L234-L245 HydrophobicContact CG-CD2 3.62Å
235F96.8Very high96.2Very high18 Ų1845.5 Ų45.58%0.07925%0.248CC..PPolyproline II helixtrans-80.9131.5-175.6-65.9-105.4000111I230 T232 Q233 P243 V244 L245 L265 Y278 Y281 I282I230-F235 HydrophobicContact CG2-CE2 3.64Å; I230-F235 HydrophobicContact CG2-CZ 4.14Å; T232-F235 PolarHBondContact O-N 2.8Å; Q233-F235 PolarHBondContact O-N 3.23Å; F235-P243 HydrophobicContact CB-CB 3.87Å; F235-P243 HydrophobicContact CD1-CB 3.79Å; F235-P243 HydrophobicContact CG-CB 4.13Å; F235-V244 CarbonylContact C-O 3.54Å; F235-L245 HydrophobicContact CD1-CD2 4.01Å; F235-L245 HydrophobicContact CD1-CG 3.96Å; F235-L245 HydrophobicContact CD2-CD2 4.05Å; F235-L245 HydrophobicContact CE1-CD1 4.3Å; F235-L245 HydrophobicContact CE1-CD2 4.09Å; F235-L245 HydrophobicContact CE1-CG 3.85Å; F235-L245 HydrophobicContact CE2-CD2 4.12Å; F235-L245 HydrophobicContact CG-CD2 4.01Å; F235-L245 HydrophobicContact CG-CG 4.47Å; F235-L245 HydrophobicContact CZ-CD1 4.39Å; F235-L245 HydrophobicContact CZ-CD2 4.15Å; F235-L245 HydrophobicContact CZ-CG 4.23Å; F235-L265 HydrophobicContact CE2-CD2 4.07Å; F235-L265 HydrophobicContact CZ-CD2 3.88Å; F235-Y278 HydrophobicContact CB-CD1 4.18Å; F235-Y278 HydrophobicContact CB-CE1 3.75Å; F235-Y278 AromaticContact CD1-CD1 3.69Å; F235-Y278 HydrophobicContact CD1-CD1 3.69Å; F235-Y278 HydrophobicContact CD1-CE1 4.16Å; F235-Y278 AromaticContact CD2-CD1 3.6Å; F235-Y278 HydrophobicContact CD2-CD1 3.6Å; F235-Y278 AromaticContact CD2-CE1 3.71Å; F235-Y278 HydrophobicContact CD2-CE1 3.71Å; F235-Y278 AromaticContact CE1-CD1 3.83Å; F235-Y278 HydrophobicContact CE1-CD1 3.83Å; F235-Y278 AromaticContact CE2-CD1 3.77Å; F235-Y278 HydrophobicContact CE2-CD1 3.77Å; F235-Y278 HydrophobicContact CE2-CE1 4.3Å; F235-Y278 AromaticContact CG-CD1 3.56Å; F235-Y278 HydrophobicContact CG-CD1 3.56Å; F235-Y278 AromaticContact CG-CE1 3.61Å; F235-Y278 HydrophobicContact CG-CE1 3.61Å; F235-Y278 AromaticContact CZ-CD1 3.87Å; F235-Y278 HydrophobicContact CZ-CD1 3.87Å; F235-Y281 HydrophobicContact CD1-CD1 4.23Å; F235-Y281 AromaticContact CE1-CD1 3.72Å; F235-Y281 HydrophobicContact CE1-CD1 3.72Å; F235-Y281 HydrophobicContact CE1-CE1 4.23Å; F235-I282 HydrophobicContact CE1-CD1 4.28Å; F235-I282 HydrophobicContact CZ-CD1 4.07Å; F235-I282 HydrophobicContact CZ-CG1 4.34Å
236L95.7Very high96.2Very high101 Ų10146.7 Ų46.753%0.52926%0.256SS..EExtended strand (participates in β ladder)trans-86.9155.1168.4-52.4178.2000109.6P243 V244 P246L236-P243 CarbonylContact O-C 3.6Å; L236-P243 WeakPolarHBondContact O-CA 3.27Å; L236-V244 HydrophobicContact CB-CG2 4.26Å; L236-V244 PolarHBondContact N-O 3.43Å; L236-V244 PolarHBondContact O-N 3.26Å; L236-P246 HydrophobicContact CD1-CG 4.08Å; L236-P246 HydrophobicContact CG-CG 4.32Å
237T95.1Very high96.2Very high102 Ų10252.1 Ų52.163%0.62628%0.276SS*.EExtended strand (participates in β ladder)trans-94.4121.4172.4-57.30000109.4
238N94.8Very high96.1Very high53 Ų5355.1 Ų55.128%0.28330%0.297SS..PPolyproline II helixtrans-74.1173.4175.274.812.2000112K240 G241 Y242 V244N238-K240 PolarHBondContact O-N 2.88Å; N238-K240 WeakPolarHBondContact OD1-CA 3.23Å; N238-K240 WeakPolarHBondContact OD1-CB 3.15Å; N238-K240 PolarHBondContact OD1-N 2.87Å; N238-G241 PolarHBondContact O-N 3.01Å; N238-G241 PolarHBondContact OD1-N 3.46Å; N238-G241 VanDerWaalsContact OD1-N 3.08Å; N238-Y242 PolarHBondContact N-O 3.28Å; N238-Y242 PolarHBondContact OD1-N 3.06Å; N238-Y242 PolarHBondContact OD1-O 3.47Å; N238-V244 HydrophobicContact CB-CG1 4.03Å; N238-V244 HydrophobicContact CB-CG2 4.05Å
239S95Very high96Very high131 Ų13155.3 Ų55.392%0.91630%0.298SS*.THydrogen-bonded Turntrans-60.2-16.8179.556.60000115
240K93.9Very high96Very high162 Ų16255.5 Ų55.570%0.70430%0.298SS*.THydrogen-bonded Turntrans-97.86.3176.2-63.2-176.1-179.9-1800113.1N238 Y242N238-K240 PolarHBondContact O-N 2.88Å; N238-K240 WeakPolarHBondContact OD1-CA 3.23Å; N238-K240 WeakPolarHBondContact OD1-CB 3.15Å; N238-K240 PolarHBondContact OD1-N 2.87Å; K240-Y242 HydrophobicContact CB-CD2 3.89Å; K240-Y242 HydrophobicContact CB-CE2 4.27Å
241G93.3Very high95.9Very high29 Ų2962.5 Ų62.530%0.29933%0.326SS..SBendtrans79.111.7179.100000115.6N238 N271N238-G241 PolarHBondContact O-N 3.01Å; N238-G241 PolarHBondContact OD1-N 3.46Å; N238-G241 VanDerWaalsContact OD1-N 3.08Å; G241-N271 PolarHBondContact O-ND2 2.8Å
242Y95.2Very high95.8Very high98 Ų9860.6 Ų60.638%0.38432%0.316SS..  trans-94.3146.6177.9-70-86.1000111.9N238 K240 K273N238-Y242 PolarHBondContact N-O 3.28Å; N238-Y242 PolarHBondContact OD1-N 3.06Å; N238-Y242 PolarHBondContact OD1-O 3.47Å; K240-Y242 HydrophobicContact CB-CD2 3.89Å; K240-Y242 HydrophobicContact CB-CE2 4.27Å; Y242-K273 HydrophobicContact CD1-CD 4.19Å; Y242-K273 HydrophobicContact CE1-CD 3.78Å; Y242-K273 PolarHBondContact OH-NZ 2.89Å; Y242-K273 VanDerWaalsContact OH-NZ 3.14Å
243P97Very high95.7Very high2 Ų260.6 Ų60.61%0.01332%0.316CS..EExtended strand (participates in β ladder)trans-71133.8175.431.7-33.4000110.1F235 L236 A277 Y278 Y281F235-P243 HydrophobicContact CB-CB 3.87Å; F235-P243 HydrophobicContact CD1-CB 3.79Å; F235-P243 HydrophobicContact CG-CB 4.13Å; L236-P243 CarbonylContact O-C 3.6Å; L236-P243 WeakPolarHBondContact O-CA 3.27Å; P243-A277 HydrophobicContact CG-CB 3.9Å; P243-Y278 HydrophobicContact CB-CD1 3.67Å; P243-Y278 HydrophobicContact CB-CE1 3.63Å; P243-Y278 HydrophobicContact CB-CG 4.26Å; P243-Y278 HydrophobicContact CG-CD1 3.89Å; P243-Y278 HydrophobicContact CG-CD2 4.29Å; P243-Y278 HydrophobicContact CG-CE1 4.18Å; P243-Y278 HydrophobicContact CG-CG 3.96Å; P243-Y281 WeakPolarHBondContact O-CD2 3.4Å; P243-Y281 VanDerWaalsContact O-CG 3.32Å
244V97.1Very high95.7Very high32 Ų3257.7 Ų57.719%0.19431%0.306CS..EExtended strand (participates in β ladder)trans-140.7146.2177.4-600000110.1F235 L236 N238 Y281F235-V244 CarbonylContact C-O 3.54Å; L236-V244 HydrophobicContact CB-CG2 4.26Å; L236-V244 PolarHBondContact N-O 3.43Å; L236-V244 PolarHBondContact O-N 3.26Å; N238-V244 HydrophobicContact CB-CG1 4.03Å; N238-V244 HydrophobicContact CB-CG2 4.05Å; V244-Y281 HydrophobicContact CB-CD2 4.37Å; V244-Y281 HydrophobicContact CB-CE2 3.75Å; V244-Y281 HydrophobicContact CG1-CD2 3.94Å; V244-Y281 HydrophobicContact CG1-CE2 3.61Å
245L97.2Very high95.6Very high3 Ų360.2 Ų60.22%0.01632%0.315CS..  trans-85.7153.5176.3-71.7171.8000111.5L234 F235 H249 Q250 I253 Y281 I282L234-L245 HydrophobicContact CB-CD2 4.01Å; L234-L245 HydrophobicContact CD2-CD2 3.64Å; L234-L245 HydrophobicContact CG-CD2 3.62Å; F235-L245 HydrophobicContact CD1-CD2 4.01Å; F235-L245 HydrophobicContact CD1-CG 3.96Å; F235-L245 HydrophobicContact CD2-CD2 4.05Å; F235-L245 HydrophobicContact CE1-CD1 4.3Å; F235-L245 HydrophobicContact CE1-CD2 4.09Å; F235-L245 HydrophobicContact CE1-CG 3.85Å; F235-L245 HydrophobicContact CE2-CD2 4.12Å; F235-L245 HydrophobicContact CG-CD2 4.01Å; F235-L245 HydrophobicContact CG-CG 4.47Å; F235-L245 HydrophobicContact CZ-CD1 4.39Å; F235-L245 HydrophobicContact CZ-CD2 4.15Å; F235-L245 HydrophobicContact CZ-CG 4.23Å; L245-H249 HydrophobicContact CB-CB 4.16Å; L245-Q250 HydrophobicContact CB-CG 4.18Å; L245-Q250 PolarHBondContact O-NE2 3.02Å; L245-I253 HydrophobicContact CD1-CD1 3.27Å; L245-Y281 HydrophobicContact CB-CE1 3.93Å; L245-Y281 HydrophobicContact CD1-CE1 4.07Å; L245-Y281 HydrophobicContact CG-CE1 3.81Å; L245-Y281 VanDerWaalsContact N-CE1 3.34Å; L245-Y281 VanDerWaalsContact N-CZ 3.3Å; L245-Y281 PolarHBondContact N-OH 2.93Å; L245-I282 HydrophobicContact CD1-CD1 4.08Å
246P96.9Very high95.5Very high33 Ų3359.4 Ų59.421%0.21431%0.311CS..  trans-57153.7168.5-21.131.3000111.9L236 S248 H249 Q250L236-P246 HydrophobicContact CD1-CG 4.08Å; L236-P246 HydrophobicContact CG-CG 4.32Å; P246-S248 VanDerWaalsContact C-N 3.3Å; P246-S248 PolarHBondContact O-N 3.01Å; P246-H249 WeakPolarHBondContact O-CB 3.3Å; P246-H249 PolarHBondContact O-N 2.8Å; P246-Q250 PolarHBondContact O-N 3.31Å
247K96Very high95.4Very high157 Ų15754.7 Ų54.768%0.68329%0.286SS*.Hα-helixtrans-60-36.5-176.6-76.9-72.7173.8-167.20113.9H249 Q250 Y251K247-H249 VanDerWaalsContact C-N 3.33Å; K247-H249 PolarHBondContact O-N 2.53Å; K247-Q250 PolarHBondContact O-N 3.14Å; K247-Y251 PolarHBondContact O-N 2.82Å
248S95.9Very high95.1Very high64 Ų6455.2 Ų55.245%0.44828%0.28SS..Hα-helixtrans-62.2-39.1174.8500000112.6P246 Y251 I252P246-S248 VanDerWaalsContact C-N 3.3Å; P246-S248 PolarHBondContact O-N 3.01Å; S248-Y251 PolarHBondContact O-N 2.75Å; S248-I252 PolarHBondContact O-N 2.62Å
249H97.5Very high94.9Very high5 Ų554 Ų542%0.02327%0.273CS..Hα-helixtrans-72.4-41.2176.5-68.587.6000112.2P208 N209 L211 L245 P246 K247 Y251 I252 I253P208-H249 PolarHBondContact O-NE2 3.19Å; N209-H249 PolarHBondContact O-CE1 3.38Å; N209-H249 VanDerWaalsContact O-CE1 3.28Å; L211-H249 VanDerWaalsContact CG-NE2 3.32Å; L211-H249 WeakPolarHBondContact CG-NE2 3.28Å; L245-H249 HydrophobicContact CB-CB 4.16Å; P246-H249 WeakPolarHBondContact O-CB 3.3Å; P246-H249 PolarHBondContact O-N 2.8Å; K247-H249 VanDerWaalsContact C-N 3.33Å; K247-H249 PolarHBondContact O-N 2.53Å; H249-Y251 VanDerWaalsContact C-N 3.26Å; H249-Y251 PolarHBondContact O-N 3.2Å; H249-I252 PolarHBondContact O-N 3.38Å; H249-I253 WeakPolarHBondContact O-CB 3.1Å; H249-I253 WeakPolarHBondContact O-CD1 3.46Å; H249-I253 VanDerWaalsContact O-CG1 3.29Å; H249-I253 WeakPolarHBondContact O-CG1 3.4Å; H249-I253 PolarHBondContact O-N 3.32Å
250Q96.6Very high94.6Very high24 Ų2452 Ų5211%0.11225%0.252CS..Hα-helixtrans-53.6-47.2171.6-68.2173.93100110.4L245 P246 K247 I253 S254 Y281 L285L245-Q250 HydrophobicContact CB-CG 4.18Å; L245-Q250 PolarHBondContact O-NE2 3.02Å; P246-Q250 PolarHBondContact O-N 3.31Å; K247-Q250 PolarHBondContact O-N 3.14Å; Q250-I253 PolarHBondContact O-N 3.49Å; Q250-S254 WeakPolarHBondContact O-CB 3.21Å; Q250-S254 PolarHBondContact O-N 2.9Å; Q250-S254 PolarHBondContact O-OG 3.31Å; Q250-S254 VanDerWaalsContact O-OG 3.06Å; Q250-Y281 WeakPolarHBondContact CG-OH 3.46Å; Q250-Y281 PolarHBondContact NE2-OH 3Å; Q250-L285 HydrophobicContact CB-CD1 4.06Å; Q250-L285 HydrophobicContact CG-CD1 4.07Å
251Y95.1Very high94.7Very high147 Ų14744.4 Ų44.458%0.57622%0.22SC*.Hα-helixtrans-59.5-48.1-179.7177.2-108.1000113.2K247 S248 H249 S254 R255K247-Y251 PolarHBondContact O-N 2.82Å; S248-Y251 PolarHBondContact O-N 2.75Å; H249-Y251 VanDerWaalsContact C-N 3.26Å; H249-Y251 PolarHBondContact O-N 3.2Å; Y251-S254 PolarHBondContact O-N 3.42Å; Y251-R255 PolarHBondContact O-N 2.89Å
252I94.9Very high94.8Very high7 Ų745.2 Ų45.24%0.03622%0.216CC..Hα-helixtrans-67.3-43179.9-67.5173.8000111.4L211 I217 S248 H249 S254 R255 F256L211-I252 HydrophobicContact CB-CD1 4.18Å; L211-I252 HydrophobicContact CD1-CD1 3.39Å; L211-I252 HydrophobicContact CD1-CG1 4.41Å; L211-I252 HydrophobicContact CD2-CD1 3.51Å; L211-I252 HydrophobicContact CG-CD1 3.84Å; I217-I252 HydrophobicContact CD1-CD1 3.4Å; I217-I252 HydrophobicContact CD1-CG1 4.25Å; I217-I252 HydrophobicContact CG1-CD1 4.24Å; I217-I252 HydrophobicContact CG2-CD1 4.43Å; I217-I252 HydrophobicContact CG2-CG2 4.29Å; S248-I252 PolarHBondContact O-N 2.62Å; H249-I252 PolarHBondContact O-N 3.38Å; I252-S254 VanDerWaalsContact C-N 3.33Å; I252-S254 PolarHBondContact O-N 2.84Å; I252-R255 WeakPolarHBondContact O-CB 3.37Å; I252-R255 PolarHBondContact O-N 3.47Å; I252-R255 VanDerWaalsContact O-N 3.1Å; I252-F256 HydrophobicContact CG2-CD2 3.75Å; I252-F256 HydrophobicContact CG2-CE2 3.67Å; I252-F256 WeakPolarHBondContact O-CD2 3.48Å; I252-F256 PolarHBondContact O-N 2.98Å
253I95.7Very high94.9Very high1 Ų140.6 Ų40.61%0.00520%0.197CC..Hα-helixtrans-61.6-43.7178.3-70.1166.2000110.5L228 I230 L245 H249 Q250 R255 F256 F257 I263 L285L228-I253 HydrophobicContact CD1-CG1 4.02Å; I230-I253 HydrophobicContact CD1-CD1 3.64Å; I230-I253 HydrophobicContact CD1-CG1 4.33Å; L245-I253 HydrophobicContact CD1-CD1 3.27Å; H249-I253 WeakPolarHBondContact O-CB 3.1Å; H249-I253 WeakPolarHBondContact O-CD1 3.46Å; H249-I253 VanDerWaalsContact O-CG1 3.29Å; H249-I253 WeakPolarHBondContact O-CG1 3.4Å; H249-I253 PolarHBondContact O-N 3.32Å; Q250-I253 PolarHBondContact O-N 3.49Å; I253-R255 PolarHBondContact O-N 3.3Å; I253-F256 CarbonylContact O-C 3.53Å; I253-F256 PolarHBondContact O-N 3.43Å; I253-F256 VanDerWaalsContact O-N 3.1Å; I253-F257 HydrophobicContact CG2-CD1 4.2Å; I253-F257 HydrophobicContact CG2-CD2 4.08Å; I253-F257 HydrophobicContact CG2-CE1 3.74Å; I253-F257 HydrophobicContact CG2-CE2 3.59Å; I253-F257 HydrophobicContact CG2-CG 4.37Å; I253-F257 HydrophobicContact CG2-CZ 3.41Å; I253-F257 VanDerWaalsContact CG2-CZ 3.41Å; I253-F257 VanDerWaalsContact O-CG 3.32Å; I253-F257 WeakPolarHBondContact O-CG 3.02Å; I253-F257 PolarHBondContact O-N 3.42Å; I253-I263 HydrophobicContact CG2-CD1 3.89Å; I253-L285 HydrophobicContact CB-CD2 4.11Å; I253-L285 HydrophobicContact CG2-CD2 3.69Å
254S93.9Very high94.9Very high34 Ų3440.7 Ų40.724%0.23820%0.198CC..Hα-helixtrans-60-32.5174.9-64.70000112.9Q250 Y251 I252 F257 K258Q250-S254 WeakPolarHBondContact O-CB 3.21Å; Q250-S254 PolarHBondContact O-N 2.9Å; Q250-S254 PolarHBondContact O-OG 3.31Å; Q250-S254 VanDerWaalsContact O-OG 3.06Å; Y251-S254 PolarHBondContact O-N 3.42Å; I252-S254 VanDerWaalsContact C-N 3.33Å; I252-S254 PolarHBondContact O-N 2.84Å; S254-F257 WeakPolarHBondContact O-CB 3.21Å; S254-K258 PolarHBondContact O-N 3.34Å
255R94.1Very high94.9Very high62 Ų6239.1 Ų39.123%0.23419%0.189CC..Hα-helixtrans-70.2-39.6173.3-70.5175.763.4-167.86.7112.6E214 F221 Y251 I252 I253 F257 K258E214-R255 IonicContact OE1-CZ 3.16Å; E214-R255 VanDerWaalsContact OE1-CZ 3.25Å; E214-R255 IonicContact OE1-NH1 3.64Å; E214-R255 PolarHBondContact OE1-NH1 3.05Å; E214-R255 IonicContact OE1-NH2 3.6Å; E214-R255 PolarHBondContact OE1-NH2 3.19Å; E214-R255 IonicContact OE2-NH1 2.75Å; E214-R255 PolarHBondContact OE2-NH1 3.06Å; F221-R255 HydrophobicContact CE1-CB 3.66Å; F221-R255 VanDerWaalsContact CE2-CZ 3.41Å; F221-R255 HydrophobicContact CZ-CB 3.57Å; Y251-R255 PolarHBondContact O-N 2.89Å; I252-R255 WeakPolarHBondContact O-CB 3.37Å; I252-R255 PolarHBondContact O-N 3.47Å; I252-R255 VanDerWaalsContact O-N 3.1Å; I253-R255 PolarHBondContact O-N 3.3Å; R255-F257 VanDerWaalsContact C-N 3.33Å; R255-K258 WeakPolarHBondContact O-CB 3.38Å; R255-K258 PolarHBondContact O-N 3.08Å
256F95.2Very high94.9Very high0 Ų040.3 Ų40.30%020%0.196CC..Hα-helixtrans-71.8-26.8174.6-80.9-69.6000113.1L205 W220 F221 V225 L228 I252 I253 K258 L259 V261L205-F256 HydrophobicContact CD2-CE1 4.39Å; L205-F256 HydrophobicContact CD2-CE2 4.27Å; L205-F256 HydrophobicContact CD2-CZ 3.71Å; W220-F256 HydrophobicContact CB-CE1 4.41Å; W220-F256 HydrophobicContact CB-CZ 4.11Å; F221-F256 HydrophobicContact CD1-CD1 4.34Å; F221-F256 HydrophobicContact CD1-CE1 4.22Å; F221-F256 AromaticContact CE1-CD1 3.97Å; F221-F256 HydrophobicContact CE1-CD1 3.97Å; F221-F256 HydrophobicContact CE1-CD2 4.29Å; F221-F256 HydrophobicContact CE1-CE1 4.02Å; F221-F256 HydrophobicContact CE1-CE2 4.34Å; F221-F256 HydrophobicContact CE1-CG 4.1Å; F221-F256 HydrophobicContact CE1-CZ 4.21Å; F221-F256 HydrophobicContact CZ-CD2 4.32Å; F221-F256 HydrophobicContact CZ-CE1 4.46Å; F221-F256 HydrophobicContact CZ-CE2 4.12Å; F221-F256 HydrophobicContact CZ-CZ 4.19Å; V225-F256 HydrophobicContact CB-CE1 4.22Å; V225-F256 HydrophobicContact CG1-CD1 4.23Å; V225-F256 HydrophobicContact CG1-CE1 4.07Å; V225-F256 HydrophobicContact CG2-CE1 4.11Å; L228-F256 HydrophobicContact CD1-CB 3.83Å; L228-F256 HydrophobicContact CD1-CD2 3.91Å; L228-F256 HydrophobicContact CD1-CG 4.05Å; L228-F256 HydrophobicContact CD2-CB 4.39Å; L228-F256 HydrophobicContact CD2-CD1 4.21Å; L228-F256 HydrophobicContact CD2-CD2 3.95Å; L228-F256 HydrophobicContact CD2-CE1 4.48Å; L228-F256 HydrophobicContact CD2-CE2 4.24Å; L228-F256 HydrophobicContact CD2-CG 3.93Å; L228-F256 HydrophobicContact CD2-CZ 4.49Å; L228-F256 HydrophobicContact CG-CB 4.38Å; L228-F256 HydrophobicContact CG-CG 4.43Å; I252-F256 HydrophobicContact CG2-CD2 3.75Å; I252-F256 HydrophobicContact CG2-CE2 3.67Å; I252-F256 WeakPolarHBondContact O-CD2 3.48Å; I252-F256 PolarHBondContact O-N 2.98Å; I253-F256 CarbonylContact O-C 3.53Å; I253-F256 PolarHBondContact O-N 3.43Å; I253-F256 VanDerWaalsContact O-N 3.1Å; F256-K258 PolarHBondContact O-N 3.44Å; F256-L259 HydrophobicContact CD1-CD1 4.3Å; F256-L259 CarbonylContact O-C 3.47Å; F256-L259 WeakPolarHBondContact O-CA 3.41Å; F256-L259 WeakPolarHBondContact O-CB 3.4Å; F256-L259 PolarHBondContact O-N 3.25Å; F256-V261 HydrophobicContact CB-CB 4.26Å; F256-V261 HydrophobicContact CB-CG2 4.25Å; F256-V261 HydrophobicContact CD1-CG2 4.13Å; F256-V261 WeakPolarHBondContact O-CG2 3.05Å; F256-V261 PolarHBondContact O-N 2.83Å
257F92.1Very high94.8Very high2 Ų239.9 Ų39.91%0.00920%0.198CC..Hα-helixtrans-59.7-37.1168.7-74.2-20.2000112.1L14 I253 S254 R255 L259 N260 I263 I282 L285 W286 Q289L14-F257 HydrophobicContact CD1-CD1 4.46Å; L14-F257 HydrophobicContact CD1-CE1 4Å; I253-F257 HydrophobicContact CG2-CD1 4.2Å; I253-F257 HydrophobicContact CG2-CD2 4.08Å; I253-F257 HydrophobicContact CG2-CE1 3.74Å; I253-F257 HydrophobicContact CG2-CE2 3.59Å; I253-F257 HydrophobicContact CG2-CG 4.37Å; I253-F257 HydrophobicContact CG2-CZ 3.41Å; I253-F257 VanDerWaalsContact CG2-CZ 3.41Å; I253-F257 VanDerWaalsContact O-CG 3.32Å; I253-F257 WeakPolarHBondContact O-CG 3.02Å; I253-F257 PolarHBondContact O-N 3.42Å; S254-F257 WeakPolarHBondContact O-CB 3.21Å; R255-F257 VanDerWaalsContact C-N 3.33Å; F257-L259 PolarHBondContact O-N 3.45Å; F257-N260 PolarHBondContact O-N 3.5Å; F257-I263 HydrophobicContact CE1-CD1 3.38Å; F257-I263 HydrophobicContact CE1-CG1 4.14Å; F257-I263 HydrophobicContact CZ-CD1 3.6Å; F257-I282 HydrophobicContact CZ-CG2 4.28Å; F257-L285 HydrophobicContact CE2-CB 4.26Å; F257-L285 HydrophobicContact CE2-CD2 4.08Å; F257-L285 HydrophobicContact CE2-CG 3.92Å; F257-W286 HydrophobicContact CB-CE3 3.6Å; F257-W286 HydrophobicContact CB-CZ3 3.45Å; F257-W286 VanDerWaalsContact CB-CZ3 3.45Å; F257-W286 AromaticContact CD1-CE3 3.55Å; F257-W286 HydrophobicContact CD1-CE3 3.55Å; F257-W286 AromaticContact CD1-CZ3 3.92Å; F257-W286 HydrophobicContact CD1-CZ3 3.92Å; F257-W286 HydrophobicContact CD2-CB 4.36Å; F257-W286 AromaticContact CD2-CE3 3.77Å; F257-W286 HydrophobicContact CD2-CE3 3.77Å; F257-W286 HydrophobicContact CE1-CE3 4.03Å; F257-W286 HydrophobicContact CE2-CB 3.88Å; F257-W286 HydrophobicContact CE2-CE3 4.24Å; F257-W286 AromaticContact CG-CE3 3.39Å; F257-W286 HydrophobicContact CG-CE3 3.39Å; F257-W286 AromaticContact CG-CZ3 3.76Å; F257-W286 HydrophobicContact CG-CZ3 3.76Å; F257-W286 HydrophobicContact CZ-CB 4.09Å; F257-W286 HydrophobicContact CZ-CE3 4.36Å; F257-W286 WeakPolarHBondContact O-CZ3 3.46Å; F257-Q289 HydrophobicContact CD2-CG 4.39Å
258K89.4Confident94.6Very high113 Ų11335.1 Ų35.149%0.49119%0.188SC..THydrogen-bonded Turntrans-63.4-2.1168.2-63.4-161.6172.5-149.10113.9S254 R255 F256 E296 R535S254-K258 PolarHBondContact O-N 3.34Å; R255-K258 WeakPolarHBondContact O-CB 3.38Å; R255-K258 PolarHBondContact O-N 3.08Å; F256-K258 PolarHBondContact O-N 3.44Å; K258-E296 IonicContact NZ-OE1 3.9Å; K258-E296 PolarHBondContact NZ-OE1 2.9Å; K258-R535 PolarHBondContact O-NE 3.06Å; K258-R535 PolarHBondContact O-NH2 3.19Å
259L91Very high94.5Very high28 Ų2834.4 Ų34.415%0.14718%0.182CC..THydrogen-bonded Turntrans-110.711.1169.3-65-174.5000113.4F221 F256 F257 V261 R535 N536F221-L259 HydrophobicContact CB-CD1 4.4Å; F221-L259 HydrophobicContact CD1-CD1 3.66Å; F221-L259 HydrophobicContact CD1-CG 4.3Å; F221-L259 HydrophobicContact CE1-CD1 4.49Å; F221-L259 HydrophobicContact CG-CD1 4.48Å; F256-L259 HydrophobicContact CD1-CD1 4.3Å; F256-L259 CarbonylContact O-C 3.47Å; F256-L259 WeakPolarHBondContact O-CA 3.41Å; F256-L259 WeakPolarHBondContact O-CB 3.4Å; F256-L259 PolarHBondContact O-N 3.25Å; F257-L259 PolarHBondContact O-N 3.45Å; L259-V261 HydrophobicContact CB-CG2 3.81Å; L259-V261 PolarHBondContact O-N 2.99Å; L259-R535 HydrophobicContact CD2-CG 3.7Å; L259-N536 HydrophobicContact CD2-CB 4.28Å
260N89.5Confident94.1Very high89 Ų8941.7 Ų41.748%0.47621%0.209SC..THydrogen-bonded Turntrans57.332.6-176.3-60.8-23.3000113.8F257 R535F257-N260 PolarHBondContact O-N 3.5Å; N260-R535 PolarHBondContact ND2-NH1 2.94Å; N260-R535 PolarHBondContact ND2-NH2 2.89Å; N260-R535 PolarHBondContact OD1-NH2 3.22Å
261V94Very high93.9Very high3 Ų341.3 Ų41.32%0.01821%0.208CC..  trans-74.8136-179.41790000110.9V225 L228 F256 L259V225-V261 HydrophobicContact CB-CG2 4.45Å; V225-V261 HydrophobicContact CG1-CG1 3.99Å; V225-V261 HydrophobicContact CG1-CG2 4.18Å; V225-V261 WeakPolarHBondContact O-CG2 3.42Å; L228-V261 HydrophobicContact CD2-CG1 3.99Å; L228-V261 HydrophobicContact CG-CG1 3.74Å; F256-V261 HydrophobicContact CB-CB 4.26Å; F256-V261 HydrophobicContact CB-CG2 4.25Å; F256-V261 HydrophobicContact CD1-CG2 4.13Å; F256-V261 WeakPolarHBondContact O-CG2 3.05Å; F256-V261 PolarHBondContact O-N 2.83Å; L259-V261 HydrophobicContact CB-CG2 3.81Å; L259-V261 PolarHBondContact O-N 2.99Å
262Q95.6Very high93.6Very high46 Ų4642.5 Ų42.522%0.21523%0.225CC..EExtended strand (participates in β ladder)trans-77.6162.4174.1-61.6-178.2-6400111.3A13 F39 V226 C227 L228A13-Q262 PolarHBondContact O-NE2 2.64Å; F39-Q262 HydrophobicContact CE1-CB 4.22Å; F39-Q262 HydrophobicContact CE1-CG 4.49Å; F39-Q262 HydrophobicContact CZ-CB 4.24Å; V226-Q262 PolarHBondContact O-N 3.37Å; C227-Q262 CarbonylContact C-O 3.54Å; C227-Q262 WeakPolarHBondContact CA-O 3.4Å; L228-Q262 PolarHBondContact N-O 2.89Å
263I97.4Very high93.4Very high0 Ų046.7 Ų46.70%024%0.243CC..EExtended strand (participates in β ladder)trans-119.8133.5174-70.1177.5000109.4L14 V15 G16 L228 I230 I253 F257 L265 I282L14-I263 PolarHBondContact O-N 2.87Å; V15-I263 CarbonylContact C-O 3.46Å; V15-I263 WeakPolarHBondContact CA-O 3.35Å; G16-I263 PolarHBondContact N-O 3.41Å; L228-I263 HydrophobicContact CB-CG1 4.36Å; L228-I263 WeakPolarHBondContact O-CA 3.19Å; I230-I263 HydrophobicContact CD1-CD1 4.04Å; I230-I263 HydrophobicContact CD1-CG1 4.34Å; I230-I263 HydrophobicContact CD1-CG2 3.73Å; I230-I263 HydrophobicContact CG1-CG2 4.15Å; I253-I263 HydrophobicContact CG2-CD1 3.89Å; F257-I263 HydrophobicContact CE1-CD1 3.38Å; F257-I263 HydrophobicContact CE1-CG1 4.14Å; F257-I263 HydrophobicContact CZ-CD1 3.6Å; I263-L265 HydrophobicContact CG2-CD2 4.27Å; I263-I282 HydrophobicContact CB-CG2 4.31Å; I263-I282 HydrophobicContact CD1-CD1 4.23Å; I263-I282 HydrophobicContact CD1-CG2 3.48Å; I263-I282 VanDerWaalsContact CD1-CG2 3.48Å; I263-I282 HydrophobicContact CG1-CG2 4.42Å; I263-I282 HydrophobicContact CG2-CG2 4.37Å
264V97.6Very high93.2Very high4 Ų447.9 Ų47.92%0.02426%0.255CS..EExtended strand (participates in β ladder)trans-111.3123.2167.1171.10000108.6G16 D18 F39 C227 L228 L229 I230G16-V264 WeakPolarHBondContact O-CA 3.35Å; D18-V264 HydrophobicContact CB-CG1 3.76Å; F39-V264 HydrophobicContact CE2-CG2 3.46Å; F39-V264 VanDerWaalsContact CE2-CG2 3.46Å; F39-V264 HydrophobicContact CZ-CG2 3.53Å; C227-V264 WeakPolarHBondContact SG-CG2 3.3Å; L228-V264 PolarHBondContact O-N 3.01Å; L229-V264 HydrophobicContact CD1-CB 3.96Å; L229-V264 HydrophobicContact CD1-CG1 3.63Å; I230-V264 PolarHBondContact N-O 3.14Å
265L97.4Very high93.2Very high0 Ų049.1 Ų49.10%026%0.255CS..EExtended strand (participates in β ladder)trans-83.3131.1169.2-63.2-177.4000109.8V15 G16 L17 D18 F37 I230 F235 I263 Y278 I282V15-L265 HydrophobicContact CG1-CD1 4.34Å; V15-L265 HydrophobicContact CG1-CG 4.22Å; G16-L265 PolarHBondContact O-N 3.41Å; L17-L265 HydrophobicContact CD1-CB 4.22Å; D18-L265 WeakPolarHBondContact CB-O 3.44Å; D18-L265 PolarHBondContact N-O 2.62Å; F37-L265 HydrophobicContact CE1-CD1 3.86Å; F37-L265 HydrophobicContact CE1-CG 4.46Å; F37-L265 HydrophobicContact CZ-CD1 4.08Å; I230-L265 HydrophobicContact CB-CD2 4.29Å; I230-L265 WeakPolarHBondContact O-CA 3.48Å; F235-L265 HydrophobicContact CE2-CD2 4.07Å; F235-L265 HydrophobicContact CZ-CD2 3.88Å; I263-L265 HydrophobicContact CG2-CD2 4.27Å; L265-Y278 VanDerWaalsContact CD1-CB 3.41Å; L265-Y278 HydrophobicContact CD1-CG 4.45Å; L265-I282 HydrophobicContact CD2-CG1 4.38Å
266T96.3Very high93.2Very high27 Ų2748.2 Ų48.217%0.16626%0.256CS..EExtended strand (participates in β ladder)trans-131169.3176.1-170.10000111.3D18 L229 I230 D231 T232D18-T266 WeakPolarHBondContact OD2-CB 3.36Å; D18-T266 PolarHBondContact OD2-OG1 2.87Å; L229-T266 HydrophobicContact CD1-CG2 3.6Å; L229-T266 HydrophobicContact CD2-CG2 4.32Å; L229-T266 HydrophobicContact CG-CG2 3.79Å; I230-T266 PolarHBondContact O-N 2.93Å; D231-T266 CarbonylContact C-O 3.55Å; D231-T266 WeakPolarHBondContact CA-O 3.37Å; D231-T266 HydrophobicContact CB-CG2 4.22Å; T232-T266 WeakPolarHBondContact CG2-O 3.19Å; T232-T266 PolarHBondContact N-O 2.86Å
267G94.8Very high93.2Very high25 Ų2548.3 Ų48.326%0.25826%0.258SS..SBendtrans86.4169.2-17700000113.3Y275G267-Y275 PolarHBondContact O-OH 2.88Å
268A93.4Very high93.4Very high57 Ų5748.6 Ų48.647%0.47126%0.258SS..  trans-68.7144.2-17600000112.2T232 R270T232-A268 WeakPolarHBondContact CB-O 3.48Å; T232-A268 PolarHBondContact OG1-O 3.39Å; A268-R270 PolarHBondContact O-N 3.13Å
269C92.2Very high93.6Very high49 Ų4944.3 Ų44.333%0.33124%0.24SC..  trans-65.4119.8172.1-174.40000110.5N271 G274 Y275C269-N271 PolarHBondContact SG-O 2.83Å; C269-N271 VanDerWaalsContact SG-O 3.36Å; C269-G274 WeakPolarHBondContact SG-CA 3.42Å; C269-Y275 HydrophobicContact CB-CD1 4.16Å; C269-Y275 HydrophobicContact CB-CD2 4.01Å; C269-Y275 HydrophobicContact CB-CE1 3.82Å; C269-Y275 HydrophobicContact CB-CE2 3.67Å; C269-Y275 HydrophobicContact CB-CG 4.24Å; C269-Y275 PolarHBondContact N-OH 2.73Å; C269-Y275 VanDerWaalsContact N-OH 3.07Å
270R89.9Confident93.8Very high157 Ų15748 Ų4859%0.59226%0.257SS*.  trans-110.1-3.1-180-63.5174.7178.1-144.7-2.4113.5A268 Y278A268-R270 PolarHBondContact O-N 3.13Å; R270-Y278 PolarHBondContact N-OH 2.87Å
271N91.5Very high94.1Very high16 Ų1644.6 Ų44.69%0.08624%0.237CC..SBendtrans-102.5135.4179.1-165.1-82000110.4G241 C269 K273 G274 Y278G241-N271 PolarHBondContact O-ND2 2.8Å; C269-N271 PolarHBondContact SG-O 2.83Å; C269-N271 VanDerWaalsContact SG-O 3.36Å; N271-K273 PolarHBondContact O-N 3Å; N271-K273 VanDerWaalsContact O-N 3.08Å; N271-K273 WeakPolarHBondContact OD1-CB 3.39Å; N271-K273 PolarHBondContact OD1-N 2.72Å; N271-G274 PolarHBondContact O-N 2.86Å; N271-Y278 HydrophobicContact CB-CE2 3.64Å; N271-Y278 PolarHBondContact N-OH 2.75Å
272D90.1Very high94.2Very high173 Ų17344.5 Ų44.593%0.92524%0.237SC*.THydrogen-bonded Turntrans-60.4-21.5-178.9-60.7-26.1000113.4G274D272-G274 VanDerWaalsContact C-N 3.28Å; D272-G274 PolarHBondContact O-N 2.8Å
273K90.1Very high94.1Very high95 Ų9543.7 Ų43.741%0.41324%0.235SC..THydrogen-bonded Turntrans-86.15.6177.9-60.2177.3-175.2172.10113.6Y242 N271 A277Y242-K273 HydrophobicContact CD1-CD 4.19Å; Y242-K273 HydrophobicContact CE1-CD 3.78Å; Y242-K273 PolarHBondContact OH-NZ 2.89Å; Y242-K273 VanDerWaalsContact OH-NZ 3.14Å; N271-K273 PolarHBondContact O-N 3Å; N271-K273 VanDerWaalsContact O-N 3.08Å; N271-K273 WeakPolarHBondContact OD1-CB 3.39Å; N271-K273 PolarHBondContact OD1-N 2.72Å; K273-A277 HydrophobicContact CB-CB 3.93Å
274G92.3Very high94Very high26 Ų2649.6 Ų49.627%0.26826%0.257SS..  trans76.8-176.3179.900000114C269 N271 D272 T276 A277C269-G274 WeakPolarHBondContact SG-CA 3.42Å; N271-G274 PolarHBondContact O-N 2.86Å; D272-G274 VanDerWaalsContact C-N 3.28Å; D272-G274 PolarHBondContact O-N 2.8Å; G274-T276 PolarHBondContact O-N 3.03Å; G274-A277 PolarHBondContact O-N 2.93Å
275Y93.7Very high93.8Very high60 Ų6049.8 Ų49.824%0.23526%0.258CS..Hα-helixtrans-61.2-26.9179.7-73.9-71000113.5L17 T232 G267 C269 A277 Y278 Q279L17-Y275 HydrophobicContact CD1-CD1 3.75Å; L17-Y275 HydrophobicContact CD1-CE1 3.95Å; L17-Y275 HydrophobicContact CD1-CG 4.07Å; L17-Y275 HydrophobicContact CD2-CD2 4.34Å; L17-Y275 HydrophobicContact CD2-CG 4.41Å; T232-Y275 HydrophobicContact CG2-CD1 4.45Å; T232-Y275 HydrophobicContact CG2-CE1 4.06Å; G267-Y275 PolarHBondContact O-OH 2.88Å; C269-Y275 HydrophobicContact CB-CD1 4.16Å; C269-Y275 HydrophobicContact CB-CD2 4.01Å; C269-Y275 HydrophobicContact CB-CE1 3.82Å; C269-Y275 HydrophobicContact CB-CE2 3.67Å; C269-Y275 HydrophobicContact CB-CG 4.24Å; C269-Y275 PolarHBondContact N-OH 2.73Å; C269-Y275 VanDerWaalsContact N-OH 3.07Å; Y275-A277 PolarHBondContact O-N 2.94Å; Y275-Y278 WeakPolarHBondContact O-CB 3.45Å; Y275-Y278 PolarHBondContact O-N 3.37Å; Y275-Q279 PolarHBondContact O-N 2.8Å; Y275-Q279 VanDerWaalsContact O-N 3.15Å
276T93.8Very high93.5Very high42 Ų4252.1 Ų52.126%0.25827%0.267SS..Hα-helixtrans-54.4-36177.9-47.70000112.5S35 G274 Y278 Q279 Q280S35-T276 WeakPolarHBondContact CB-OG1 2.93Å; S35-T276 PolarHBondContact OG-OG1 2.83Å; G274-T276 PolarHBondContact O-N 3.03Å; T276-Y278 VanDerWaalsContact C-N 3.32Å; T276-Y278 PolarHBondContact O-N 3.43Å; T276-Q279 PolarHBondContact O-N 2.72Å; T276-Q280 HydrophobicContact CG2-CG 4.32Å; T276-Q280 WeakPolarHBondContact O-CB 3.28Å; T276-Q280 VanDerWaalsContact O-CG 3.25Å; T276-Q280 WeakPolarHBondContact O-CG 3.43Å; T276-Q280 PolarHBondContact O-N 3.32Å
277A94.9Very high93.3Very high3 Ų357.4 Ų57.43%0.02529%0.29CS..Hα-helixtrans-65.2-35.9179.400000112.8P243 K273 G274 Y275 Y281P243-A277 HydrophobicContact CG-CB 3.9Å; K273-A277 HydrophobicContact CB-CB 3.93Å; G274-A277 PolarHBondContact O-N 2.93Å; Y275-A277 PolarHBondContact O-N 2.94Å; A277-Y281 PolarHBondContact O-N 2.95Å
278Y96.1Very high93.1Very high7 Ų759 Ų593%0.02730%0.297CS..Hα-helixtrans-71.7-44.9175.9-61.6-94.9000111.1T232 F235 P243 L265 R270 N271 Y275 T276 Q280 Y281 I282T232-Y278 HydrophobicContact CG2-CD1 4.36Å; T232-Y278 HydrophobicContact CG2-CE1 4.07Å; T232-Y278 HydrophobicContact CG2-CE2 4.39Å; F235-Y278 HydrophobicContact CB-CD1 4.18Å; F235-Y278 HydrophobicContact CB-CE1 3.75Å; F235-Y278 AromaticContact CD1-CD1 3.69Å; F235-Y278 HydrophobicContact CD1-CD1 3.69Å; F235-Y278 HydrophobicContact CD1-CE1 4.16Å; F235-Y278 AromaticContact CD2-CD1 3.6Å; F235-Y278 HydrophobicContact CD2-CD1 3.6Å; F235-Y278 AromaticContact CD2-CE1 3.71Å; F235-Y278 HydrophobicContact CD2-CE1 3.71Å; F235-Y278 AromaticContact CE1-CD1 3.83Å; F235-Y278 HydrophobicContact CE1-CD1 3.83Å; F235-Y278 AromaticContact CE2-CD1 3.77Å; F235-Y278 HydrophobicContact CE2-CD1 3.77Å; F235-Y278 HydrophobicContact CE2-CE1 4.3Å; F235-Y278 AromaticContact CG-CD1 3.56Å; F235-Y278 HydrophobicContact CG-CD1 3.56Å; F235-Y278 AromaticContact CG-CE1 3.61Å; F235-Y278 HydrophobicContact CG-CE1 3.61Å; F235-Y278 AromaticContact CZ-CD1 3.87Å; F235-Y278 HydrophobicContact CZ-CD1 3.87Å; P243-Y278 HydrophobicContact CB-CD1 3.67Å; P243-Y278 HydrophobicContact CB-CE1 3.63Å; P243-Y278 HydrophobicContact CB-CG 4.26Å; P243-Y278 HydrophobicContact CG-CD1 3.89Å; P243-Y278 HydrophobicContact CG-CD2 4.29Å; P243-Y278 HydrophobicContact CG-CE1 4.18Å; P243-Y278 HydrophobicContact CG-CG 3.96Å; L265-Y278 VanDerWaalsContact CD1-CB 3.41Å; L265-Y278 HydrophobicContact CD1-CG 4.45Å; R270-Y278 PolarHBondContact N-OH 2.87Å; N271-Y278 HydrophobicContact CB-CE2 3.64Å; N271-Y278 PolarHBondContact N-OH 2.75Å; Y275-Y278 WeakPolarHBondContact O-CB 3.45Å; Y275-Y278 PolarHBondContact O-N 3.37Å; T276-Y278 VanDerWaalsContact C-N 3.32Å; T276-Y278 PolarHBondContact O-N 3.43Å; Y278-Q280 VanDerWaalsContact C-N 3.32Å; Y278-Q280 PolarHBondContact O-N 3.07Å; Y278-Y281 PolarHBondContact O-N 3.04Å; Y278-I282 WeakPolarHBondContact O-CG1 3.44Å; Y278-I282 PolarHBondContact O-N 3.45Å
279Q94.9Very high92.8Very high23 Ų2358.8 Ų58.811%0.10729%0.287CS..Hα-helixtrans-56.3-46.4176.2-173.5-74.4-24.300111.3V15 G36 F37 Y275 T276 Y281 I282 T283V15-Q279 HydrophobicContact CB-CG 4.29Å; V15-Q279 HydrophobicContact CG1-CG 4.3Å; G36-Q279 PolarHBondContact O-NE2 2.88Å; F37-Q279 HydrophobicContact CD1-CB 4.45Å; F37-Q279 HydrophobicContact CD1-CG 4.07Å; F37-Q279 HydrophobicContact CE1-CB 3.85Å; F37-Q279 HydrophobicContact CE1-CG 3.97Å; F37-Q279 HydrophobicContact CE2-CB 4.18Å; F37-Q279 HydrophobicContact CE2-CG 4.46Å; F37-Q279 HydrophobicContact CG-CG 4.38Å; F37-Q279 HydrophobicContact CZ-CB 3.69Å; F37-Q279 HydrophobicContact CZ-CG 4.17Å; Y275-Q279 PolarHBondContact O-N 2.8Å; Y275-Q279 VanDerWaalsContact O-N 3.15Å; T276-Q279 PolarHBondContact O-N 2.72Å; Q279-Y281 VanDerWaalsContact C-N 3.34Å; Q279-Y281 PolarHBondContact O-N 3.29Å; Q279-I282 PolarHBondContact O-N 3.32Å; Q279-T283 PolarHBondContact NE2-OG1 2.69Å; Q279-T283 WeakPolarHBondContact O-CB 3.05Å; Q279-T283 PolarHBondContact O-N 2.98Å; Q279-T283 PolarHBondContact O-OG1 3.25Å
280Q94.3Very high92.5Very high106 Ų10664 Ų6450%0.49531%0.311SS..Hα-helixtrans-63.2-40178.4-75.7174.2-12.500111.8T276 Y278 T283 W284T276-Q280 HydrophobicContact CG2-CG 4.32Å; T276-Q280 WeakPolarHBondContact O-CB 3.28Å; T276-Q280 VanDerWaalsContact O-CG 3.25Å; T276-Q280 WeakPolarHBondContact O-CG 3.43Å; T276-Q280 PolarHBondContact O-N 3.32Å; Y278-Q280 VanDerWaalsContact C-N 3.32Å; Y278-Q280 PolarHBondContact O-N 3.07Å; Q280-T283 PolarHBondContact O-N 2.98Å; Q280-W284 WeakPolarHBondContact O-CB 3.28Å; Q280-W284 PolarHBondContact O-N 2.93Å
281Y95.8Very high92.3Very high18 Ų1860.7 Ų60.77%0.07132%0.317CS..Hα-helixtrans-65.2-43.8177.5176.8-98.4000112.5F235 P243 V244 L245 Q250 A277 Y278 Q279 T283 W284 L285F235-Y281 HydrophobicContact CD1-CD1 4.23Å; F235-Y281 AromaticContact CE1-CD1 3.72Å; F235-Y281 HydrophobicContact CE1-CD1 3.72Å; F235-Y281 HydrophobicContact CE1-CE1 4.23Å; P243-Y281 WeakPolarHBondContact O-CD2 3.4Å; P243-Y281 VanDerWaalsContact O-CG 3.32Å; V244-Y281 HydrophobicContact CB-CD2 4.37Å; V244-Y281 HydrophobicContact CB-CE2 3.75Å; V244-Y281 HydrophobicContact CG1-CD2 3.94Å; V244-Y281 HydrophobicContact CG1-CE2 3.61Å; L245-Y281 HydrophobicContact CB-CE1 3.93Å; L245-Y281 HydrophobicContact CD1-CE1 4.07Å; L245-Y281 HydrophobicContact CG-CE1 3.81Å; L245-Y281 VanDerWaalsContact N-CE1 3.34Å; L245-Y281 VanDerWaalsContact N-CZ 3.3Å; L245-Y281 PolarHBondContact N-OH 2.93Å; Q250-Y281 WeakPolarHBondContact CG-OH 3.46Å; Q250-Y281 PolarHBondContact NE2-OH 3Å; A277-Y281 PolarHBondContact O-N 2.95Å; Y278-Y281 PolarHBondContact O-N 3.04Å; Q279-Y281 VanDerWaalsContact C-N 3.34Å; Q279-Y281 PolarHBondContact O-N 3.29Å; Y281-T283 VanDerWaalsContact C-N 3.33Å; Y281-W284 AromaticContact CD2-CE3 3.84Å; Y281-W284 HydrophobicContact CD2-CE3 3.84Å; Y281-W284 HydrophobicContact CD2-CZ3 4.24Å; Y281-W284 AromaticContact CE2-CE3 3.62Å; Y281-W284 HydrophobicContact CE2-CE3 3.62Å; Y281-W284 AromaticContact CE2-CZ3 3.54Å; Y281-W284 HydrophobicContact CE2-CZ3 3.54Å; Y281-W284 WeakPolarHBondContact O-CB 3.37Å; Y281-W284 PolarHBondContact O-N 2.67Å; Y281-L285 PolarHBondContact O-N 3.16Å
282I95.6Very high92Very high0 Ų063 Ų630%033%0.333CS..Hα-helixtrans-63.8-41.7176.4-66.2-58.4000111L14 V15 I230 F235 L245 F257 I263 L265 Y278 Q279 W284 L285 W286L14-I282 HydrophobicContact CD2-CG2 4.44Å; V15-I282 HydrophobicContact CG2-CB 4.1Å; V15-I282 HydrophobicContact CG2-CG2 3.56Å; I230-I282 HydrophobicContact CD1-CD1 4.36Å; F235-I282 HydrophobicContact CE1-CD1 4.28Å; F235-I282 HydrophobicContact CZ-CD1 4.07Å; F235-I282 HydrophobicContact CZ-CG1 4.34Å; L245-I282 HydrophobicContact CD1-CD1 4.08Å; F257-I282 HydrophobicContact CZ-CG2 4.28Å; I263-I282 HydrophobicContact CB-CG2 4.31Å; I263-I282 HydrophobicContact CD1-CD1 4.23Å; I263-I282 HydrophobicContact CD1-CG2 3.48Å; I263-I282 VanDerWaalsContact CD1-CG2 3.48Å; I263-I282 HydrophobicContact CG1-CG2 4.42Å; I263-I282 HydrophobicContact CG2-CG2 4.37Å; L265-I282 HydrophobicContact CD2-CG1 4.38Å; Y278-I282 WeakPolarHBondContact O-CG1 3.44Å; Y278-I282 PolarHBondContact O-N 3.45Å; Q279-I282 PolarHBondContact O-N 3.32Å; I282-W284 VanDerWaalsContact C-N 3.34Å; I282-W284 PolarHBondContact O-N 2.71Å; I282-L285 PolarHBondContact O-N 2.84Å; I282-W286 PolarHBondContact O-N 2.95Å
283T93.8Very high91.8Very high30 Ų3058.7 Ų58.718%0.18431%0.31CS..Hα-helixtrans-61.8-42.8175.1-57.20000111.4Q279 Q280 Y281 W286 Q287Q279-T283 PolarHBondContact NE2-OG1 2.69Å; Q279-T283 WeakPolarHBondContact O-CB 3.05Å; Q279-T283 PolarHBondContact O-N 2.98Å; Q279-T283 PolarHBondContact O-OG1 3.25Å; Q280-T283 PolarHBondContact O-N 2.98Å; Y281-T283 VanDerWaalsContact C-N 3.33Å; T283-W286 PolarHBondContact O-N 3.25Å; T283-Q287 WeakPolarHBondContact O-CB 3.36Å; T283-Q287 VanDerWaalsContact O-CG 3.29Å; T283-Q287 WeakPolarHBondContact O-CG 3.16Å; T283-Q287 PolarHBondContact O-N 3.42Å
284W94.6Very high91.6Very high124 Ų12456.7 Ų56.747%0.4730%0.303SS..Hα-helixtrans-61.9-41.8174.2169.778.7000112Q280 Y281 I282 W286 Q287 S288Q280-W284 WeakPolarHBondContact O-CB 3.28Å; Q280-W284 PolarHBondContact O-N 2.93Å; Y281-W284 AromaticContact CD2-CE3 3.84Å; Y281-W284 HydrophobicContact CD2-CE3 3.84Å; Y281-W284 HydrophobicContact CD2-CZ3 4.24Å; Y281-W284 AromaticContact CE2-CE3 3.62Å; Y281-W284 HydrophobicContact CE2-CE3 3.62Å; Y281-W284 AromaticContact CE2-CZ3 3.54Å; Y281-W284 HydrophobicContact CE2-CZ3 3.54Å; Y281-W284 WeakPolarHBondContact O-CB 3.37Å; Y281-W284 PolarHBondContact O-N 2.67Å; I282-W284 VanDerWaalsContact C-N 3.34Å; I282-W284 PolarHBondContact O-N 2.71Å; W284-W286 VanDerWaalsContact C-N 3.34Å; W284-W286 PolarHBondContact O-N 3.25Å; W284-Q287 PolarHBondContact O-N 3.43Å; W284-S288 VanDerWaalsContact CE2-OG 3.27Å; W284-S288 PolarHBondContact NE1-OG 3.07Å; W284-S288 VanDerWaalsContact NE1-OG 3.15Å; W284-S288 VanDerWaalsContact O-CB 3.26Å; W284-S288 WeakPolarHBondContact O-CB 3.36Å; W284-S288 PolarHBondContact O-N 2.94Å; W284-S288 PolarHBondContact O-OG 3Å
285L94.3Very high91.3Very high8 Ų856.8 Ų56.84%0.04230%0.296CS..Hα-helixtrans-62.2-42.7177.2-174.966000111.1Q250 I253 F257 Y281 I282 S288Q250-L285 HydrophobicContact CB-CD1 4.06Å; Q250-L285 HydrophobicContact CG-CD1 4.07Å; I253-L285 HydrophobicContact CB-CD2 4.11Å; I253-L285 HydrophobicContact CG2-CD2 3.69Å; F257-L285 HydrophobicContact CE2-CB 4.26Å; F257-L285 HydrophobicContact CE2-CD2 4.08Å; F257-L285 HydrophobicContact CE2-CG 3.92Å; Y281-L285 PolarHBondContact O-N 3.16Å; I282-L285 PolarHBondContact O-N 2.84Å; L285-S288 PolarHBondContact O-N 3.35Å
286W91.6Very high91Very high49 Ų4956.5 Ų56.519%0.18630%0.297CS..Hα-helixtrans-60.8-45174.5170.8-94.7000112.2V10 L14 F257 I282 T283 W284 S288 Q289V10-W286 HydrophobicContact CG1-CH2 3.81Å; V10-W286 HydrophobicContact CG1-CZ2 3.53Å; L14-W286 HydrophobicContact CD1-CD2 4.23Å; L14-W286 HydrophobicContact CD1-CE3 3.97Å; L14-W286 HydrophobicContact CD2-CB 3.53Å; L14-W286 HydrophobicContact CD2-CD2 4.21Å; L14-W286 HydrophobicContact CD2-CG 3.69Å; F257-W286 HydrophobicContact CB-CE3 3.6Å; F257-W286 HydrophobicContact CB-CZ3 3.45Å; F257-W286 VanDerWaalsContact CB-CZ3 3.45Å; F257-W286 AromaticContact CD1-CE3 3.55Å; F257-W286 HydrophobicContact CD1-CE3 3.55Å; F257-W286 AromaticContact CD1-CZ3 3.92Å; F257-W286 HydrophobicContact CD1-CZ3 3.92Å; F257-W286 HydrophobicContact CD2-CB 4.36Å; F257-W286 AromaticContact CD2-CE3 3.77Å; F257-W286 HydrophobicContact CD2-CE3 3.77Å; F257-W286 HydrophobicContact CE1-CE3 4.03Å; F257-W286 HydrophobicContact CE2-CB 3.88Å; F257-W286 HydrophobicContact CE2-CE3 4.24Å; F257-W286 AromaticContact CG-CE3 3.39Å; F257-W286 HydrophobicContact CG-CE3 3.39Å; F257-W286 AromaticContact CG-CZ3 3.76Å; F257-W286 HydrophobicContact CG-CZ3 3.76Å; F257-W286 HydrophobicContact CZ-CB 4.09Å; F257-W286 HydrophobicContact CZ-CE3 4.36Å; F257-W286 WeakPolarHBondContact O-CZ3 3.46Å; I282-W286 PolarHBondContact O-N 2.95Å; T283-W286 PolarHBondContact O-N 3.25Å; W284-W286 VanDerWaalsContact C-N 3.34Å; W284-W286 PolarHBondContact O-N 3.25Å; W286-S288 VanDerWaalsContact C-N 3.3Å; W286-S288 PolarHBondContact O-N 2.64Å; W286-Q289 WeakPolarHBondContact O-CG 3.39Å; W286-Q289 PolarHBondContact O-NE2 2.89Å
287Q90.8Very high90.7Very high137 Ų13758.5 Ų58.564%0.6430%0.303SS*.Hα-helixtrans-72.2-21.9-179.9-71.2173-7.700113.8T283 W284 Q289T283-Q287 WeakPolarHBondContact O-CB 3.36Å; T283-Q287 VanDerWaalsContact O-CG 3.29Å; T283-Q287 WeakPolarHBondContact O-CG 3.16Å; T283-Q287 PolarHBondContact O-N 3.42Å; W284-Q287 PolarHBondContact O-N 3.43Å; Q287-Q289 VanDerWaalsContact C-N 3.32Å
288S90.9Very high90.2Very high60 Ų6061.3 Ų61.342%0.4232%0.316SS..THydrogen-bonded Turntrans-91.510-178.6-55.40000113.2W284 L285 W286W284-S288 VanDerWaalsContact CE2-OG 3.27Å; W284-S288 PolarHBondContact NE1-OG 3.07Å; W284-S288 VanDerWaalsContact NE1-OG 3.15Å; W284-S288 VanDerWaalsContact O-CB 3.26Å; W284-S288 WeakPolarHBondContact O-CB 3.36Å; W284-S288 PolarHBondContact O-N 2.94Å; W284-S288 PolarHBondContact O-OG 3Å; L285-S288 PolarHBondContact O-N 3.35Å; W286-S288 VanDerWaalsContact C-N 3.3Å; W286-S288 PolarHBondContact O-N 2.64Å
289Q87.3Confident89.8Confident52 Ų5261.1 Ų61.124%0.24332%0.315CS..SBendtrans-63.5154.2171.7-72.3178.581.400110.8F257 W286 Q287F257-Q289 HydrophobicContact CD2-CG 4.39Å; W286-Q289 WeakPolarHBondContact O-CG 3.39Å; W286-Q289 PolarHBondContact O-NE2 2.89Å; Q287-Q289 VanDerWaalsContact C-N 3.32Å
290D86.5Confident89.5Confident158 Ų15864.9 Ų64.985%0.84533%0.332SS*.PPolyproline II helixtrans-57.2144.5173.1-62.6-42.9000110.1
291A86.4Confident89.3Confident88 Ų8861.8 Ų61.873%0.72733%0.328SS*.PPolyproline II helixtrans-60.5139.3174.700000109.4D293A291-D293 PolarHBondContact O-N 2.79Å
292P84.9Confident89.1Confident63 Ų6363.6 Ų63.641%0.40934%0.339SS..PPolyproline II helixtrans-59.5139178.525.5-33.9000110.2E296 E297P292-E296 VanDerWaalsContact CA-OE2 3.29Å; P292-E296 WeakPolarHBondContact CA-OE2 3.13Å; P292-E296 HydrophobicContact CB-CB 3.74Å; P292-E297 HydrophobicContact CB-CG 3.87Å; P292-E297 HydrophobicContact CG-CG 3.67Å
293D85.8Confident89Confident84 Ų8466 Ų6645%0.44935%0.35SS..PPolyproline II helixtrans-72.3172.7172.468.928.8000111.2A291 Y295 E296 E297A291-D293 PolarHBondContact O-N 2.79Å; D293-Y295 PolarHBondContact O-N 2.96Å; D293-Y295 VanDerWaalsContact O-N 3.16Å; D293-Y295 WeakPolarHBondContact OD1-CA 3.45Å; D293-Y295 WeakPolarHBondContact OD1-CB 3.31Å; D293-Y295 PolarHBondContact OD1-N 2.89Å; D293-E296 PolarHBondContact O-N 3.29Å; D293-E296 PolarHBondContact OD1-N 2.91Å; D293-E297 WeakPolarHBondContact O-CB 3.48Å; D293-E297 WeakPolarHBondContact O-CG 3.28Å; D293-E297 PolarHBondContact O-N 3.22Å
294L86.6Confident89Confident52 Ų5265.2 Ų65.227%0.27234%0.344SS..Hα-helixtrans-56.7-34.2-178.7-174.664.1000112.4Q298 P329 V605L294-Q298 HydrophobicContact CD1-CG 4.2Å; L294-Q298 WeakPolarHBondContact O-CB 3.36Å; L294-Q298 WeakPolarHBondContact O-CG 3.47Å; L294-Q298 PolarHBondContact O-N 3.22Å; L294-P329 HydrophobicContact CD2-CG 4.5Å; L294-V605 HydrophobicContact CD2-CG1 4.4Å; L294-V605 HydrophobicContact CG-CG1 4.14Å
295Y85.6Confident88.8Confident29 Ų2963.9 Ų63.911%0.11434%0.343CS..Hα-helixtrans-71.9-45.4179.8-179.1-112000111.3D293 E297 S299 R533 M604 V605 F608D293-Y295 PolarHBondContact O-N 2.96Å; D293-Y295 VanDerWaalsContact O-N 3.16Å; D293-Y295 WeakPolarHBondContact OD1-CA 3.45Å; D293-Y295 WeakPolarHBondContact OD1-CB 3.31Å; D293-Y295 PolarHBondContact OD1-N 2.89Å; Y295-E297 VanDerWaalsContact C-N 3.35Å; Y295-S299 WeakPolarHBondContact O-CB 3.18Å; Y295-S299 PolarHBondContact O-N 2.73Å; Y295-S299 PolarHBondContact O-OG 3.17Å; Y295-R533 VanDerWaalsContact CE1-NH2 3.28Å; Y295-R533 VanDerWaalsContact OH-CD 3.29Å; Y295-R533 WeakPolarHBondContact OH-CD 3.33Å; Y295-M604 WeakPolarHBondContact CD2-O 3.27Å; Y295-V605 HydrophobicContact CD2-CB 4.38Å; Y295-V605 HydrophobicContact CD2-CG1 4.06Å; Y295-F608 HydrophobicContact CD2-CE1 4.4Å; Y295-F608 AromaticContact CE2-CD1 3.72Å; Y295-F608 HydrophobicContact CE2-CD1 3.72Å; Y295-F608 AromaticContact CE2-CE1 3.58Å; Y295-F608 HydrophobicContact CE2-CE1 3.58Å; Y295-F608 AromaticContact CZ-CD1 3.83Å; Y295-F608 AromaticContact CZ-CE1 3.92Å; Y295-F608 WeakPolarHBondContact OH-CD1 3.44Å
296E86.6Confident88.8Confident54 Ų5465 Ų6525%0.25235%0.349SS..Hα-helixtrans-62.6-39.7172.8-70.7-178.3160.800111.5K258 P292 D293 K300K258-E296 IonicContact NZ-OE1 3.9Å; K258-E296 PolarHBondContact NZ-OE1 2.9Å; P292-E296 VanDerWaalsContact CA-OE2 3.29Å; P292-E296 WeakPolarHBondContact CA-OE2 3.13Å; P292-E296 HydrophobicContact CB-CB 3.74Å; D293-E296 PolarHBondContact O-N 3.29Å; D293-E296 PolarHBondContact OD1-N 2.91Å; E296-K300 PolarHBondContact O-N 3.18Å; E296-K300 VanDerWaalsContact O-N 3.16Å
297E86.7Confident88.8Confident83 Ų8365.9 Ų65.939%0.38836%0.356SS..Hα-helixtrans-65.4-45.7177.5-73.2-165.2161.800112.9R3 P292 D293 Y295R3-E297 IonicContact NH2-OE1 2.74Å; R3-E297 PolarHBondContact NH2-OE1 2.67Å; R3-E297 IonicContact NH2-OE2 2.87Å; R3-E297 PolarHBondContact NH2-OE2 2.89Å; P292-E297 HydrophobicContact CB-CG 3.87Å; P292-E297 HydrophobicContact CG-CG 3.67Å; D293-E297 WeakPolarHBondContact O-CB 3.48Å; D293-E297 WeakPolarHBondContact O-CG 3.28Å; D293-E297 PolarHBondContact O-N 3.22Å; Y295-E297 VanDerWaalsContact C-N 3.35Å
298Q85.1Confident88.8Confident63 Ų6366.6 Ų66.629%0.29436%0.359SS..Hα-helixtrans-78.2-27.2-178-69.8-168.810.700113.2L294 M327L294-Q298 HydrophobicContact CD1-CG 4.2Å; L294-Q298 WeakPolarHBondContact O-CB 3.36Å; L294-Q298 WeakPolarHBondContact O-CG 3.47Å; L294-Q298 PolarHBondContact O-N 3.22Å; Q298-M327 PolarHBondContact NE2-O 3.16Å
299S88.6Confident89Confident2 Ų264.1 Ų64.11%0.01434%0.342CS..Hα-helixtrans-90.9-1.7178.666.90000114.3Y295 G301 L302 R533Y295-S299 WeakPolarHBondContact O-CB 3.18Å; Y295-S299 PolarHBondContact O-N 2.73Å; Y295-S299 PolarHBondContact O-OG 3.17Å; S299-G301 PolarHBondContact O-N 2.96Å; S299-L302 WeakPolarHBondContact O-CB 3.25Å; S299-L302 PolarHBondContact O-N 2.94Å; S299-R533 PolarHBondContact OG-NE 3.41Å
300K88.5Confident89.3Confident103 Ų10364.9 Ų64.945%0.44835%0.347SS..THydrogen-bonded Turntrans-56.4124.1-178.6-174172.4-176.7170.20111.7E296E296-K300 PolarHBondContact O-N 3.18Å; E296-K300 VanDerWaalsContact O-N 3.16Å
301G89.7Confident89.8Confident41 Ų4157.8 Ų57.842%0.42331%0.309SS..THydrogen-bonded Turntrans89.9-3.7-17800000114.4S299 E303 Q305S299-G301 PolarHBondContact O-N 2.96Å; G301-E303 WeakPolarHBondContact CA-OE2 3.28Å; G301-E303 PolarHBondContact N-OE2 3.38Å; G301-Q305 VanDerWaalsContact O-CD 3.26Å; G301-Q305 PolarHBondContact O-NE2 3.46Å; G301-Q305 PolarHBondContact O-OE1 3.34Å
302L91.5Very high90.2Very high56 Ų5655 Ų5529%0.29328%0.283SS..  trans-103.81.2176-57.8177.2000112.5S299 D304 Q305 F608S299-L302 WeakPolarHBondContact O-CB 3.25Å; S299-L302 PolarHBondContact O-N 2.94Å; L302-D304 PolarHBondContact O-N 3.3Å; L302-Q305 PolarHBondContact O-N 2.94Å; L302-F608 HydrophobicContact CB-CE2 4.12Å; L302-F608 HydrophobicContact CD1-CE2 3.82Å; L302-F608 HydrophobicContact CD1-CZ 4.16Å
303E92.7Very high90.8Very high50 Ų5053.3 Ų53.323%0.23427%0.27CS..BIsolated β-bridgetrans-66131.8-174.3-50.7100.2134.200111.6G301 Q305 R533 R535G301-E303 WeakPolarHBondContact CA-OE2 3.28Å; G301-E303 PolarHBondContact N-OE2 3.38Å; E303-Q305 PolarHBondContact O-N 2.81Å; E303-R533 HydrophobicContact CB-CG 4.46Å; E303-R533 HydrophobicContact CG-CG 4.09Å; E303-R535 HydrophobicContact CB-CB 3.92Å; E303-R535 VanDerWaalsContact CB-CD 3.41Å; E303-R535 HydrophobicContact CB-CG 4.33Å; E303-R535 IonicContact OE1-NH1 3.6Å; E303-R535 PolarHBondContact OE1-NH1 2.91Å; E303-R535 IonicContact OE2-NH1 3.69Å
304D93.8Very high91.2Very high13 Ų1355.3 Ų55.37%0.0727%0.272CS..THydrogen-bonded Turntrans54.613.1-175.2-53.5-46.6000115.2L302 Q507 I508 R533 R535 N536L302-D304 PolarHBondContact O-N 3.3Å; D304-Q507 HydrophobicContact CB-CG 3.9Å; D304-I508 HydrophobicContact CB-CG1 4.39Å; D304-R533 PolarHBondContact N-O 2.96Å; D304-R535 PolarHBondContact OD1-N 3.29Å; D304-N536 PolarHBondContact OD1-N 2.75Å; D304-N536 VanDerWaalsContact OD1-N 3.14Å; D304-N536 VanDerWaalsContact OD2-CB 3.23Å; D304-N536 WeakPolarHBondContact OD2-CB 3.36Å; D304-N536 PolarHBondContact OD2-N 2.7Å
305Q91.8Very high91.6Very high96 Ų9656 Ų5645%0.44928%0.275SS..  trans-85.8131.9174.7-67.1-173.58.700111.1G301 L302 E303G301-Q305 VanDerWaalsContact O-CD 3.26Å; G301-Q305 PolarHBondContact O-NE2 3.46Å; G301-Q305 PolarHBondContact O-OE1 3.34Å; L302-Q305 PolarHBondContact O-N 2.94Å; E303-Q305 PolarHBondContact O-N 2.81Å
306L92.9Very high92.1Very high31 Ų3158.4 Ų58.416%0.16229%0.29CS..  trans-75128.1177.4-58-177.7000110.7I508 E511 Y530 V532L306-I508 HydrophobicContact CD2-CG2 4.06Å; L306-E511 HydrophobicContact CD1-CB 4.12Å; L306-E511 HydrophobicContact CD1-CG 3.89Å; L306-E511 HydrophobicContact CG-CB 4.21Å; L306-E511 HydrophobicContact CG-CG 3.79Å; L306-Y530 HydrophobicContact CB-CD1 3.89Å; L306-Y530 HydrophobicContact CB-CE1 4.39Å; L306-Y530 HydrophobicContact CB-CG 4.09Å; L306-Y530 HydrophobicContact CD1-CD2 4.27Å; L306-Y530 HydrophobicContact CD1-CE2 4.28Å; L306-Y530 HydrophobicContact CD1-CG 4.39Å; L306-Y530 HydrophobicContact CD2-CD2 4.22Å; L306-Y530 HydrophobicContact CD2-CG 4.04Å; L306-Y530 HydrophobicContact CG-CG 4.4Å; L306-V532 HydrophobicContact CD2-CG2 3.58Å
307Q92.1Very high92.5Very high69 Ų6956.7 Ų56.732%0.32228%0.283SS..BIsolated β-bridgetrans-124.3138.6172.1-63.3169.177.600109.2Y530 V531Q307-Y530 CarbonylContact O-C 3.57Å; Q307-Y530 WeakPolarHBondContact O-CA 3.22Å; Q307-V531 HydrophobicContact CB-CB 4.33Å; Q307-V531 WeakPolarHBondContact CB-O 3.15Å; Q307-V531 PolarHBondContact N-O 2.86Å; Q307-V531 PolarHBondContact O-N 2.86Å
308E91.8Very high93Very high151 Ų15155.5 Ų55.571%0.70628%0.284SS*.PPolyproline II helixtrans-67.5135.6171.4-67.9-174.1174.900109.8L310E308-L310 PolarHBondContact O-N 2.94Å
309P94.3Very high93.5Very high9 Ų956.1 Ų56.16%0.05830%0.295CS..PPolyproline II helixtrans-59.3136.9175-20.431.4000110.8P529 V531 L610P309-P529 WeakPolarHBondContact CD-O 3.44Å; P309-P529 WeakPolarHBondContact CG-O 3.37Å; P309-V531 HydrophobicContact CB-CG2 4.03Å; P309-V531 HydrophobicContact CG-CG2 4.09Å; P309-L610 HydrophobicContact CB-CD1 4.38Å; P309-L610 HydrophobicContact CG-CD1 3.67Å
310L94.1Very high93.7Very high67 Ų6760.8 Ų60.835%0.35132%0.323SS..PPolyproline II helixtrans-61.3153.8176.7-63.8175.9000110.8E308 P312 T321 F325E308-L310 PolarHBondContact O-N 2.94Å; L310-P312 HydrophobicContact CB-CG 4.39Å; L310-T321 HydrophobicContact CD1-CG2 3.94Å; L310-F325 HydrophobicContact CD1-CE1 3.88Å; L310-F325 HydrophobicContact CD1-CZ 3.49Å; L310-F325 VanDerWaalsContact CD1-CZ 3.49Å
311Q95.4Very high93.9Very high10 Ų1057.3 Ų57.35%0.04731%0.311CS..  trans-130.664.3-179.1-65.9-69.7-5700110.6L313 R314 D315 Y661Q311-L313 PolarHBondContact O-N 2.82Å; Q311-L313 VanDerWaalsContact O-N 3.15Å; Q311-R314 HydrophobicContact CB-CB 4.22Å; Q311-R314 PolarHBondContact O-N 3.47Å; Q311-R314 VanDerWaalsContact O-N 3.12Å; Q311-D315 PolarHBondContact O-N 3.28Å; Q311-Y661 PolarHBondContact NE2-OH 3Å
312P96.6Very high94.2Very high30 Ų3056.5 Ų56.520%0.19530%0.296CS..THydrogen-bonded Turntrans-65.6-21.8-167.7-22.135.5000114.7L310 D315 L317 K420 E472L310-P312 HydrophobicContact CB-CG 4.39Å; P312-D315 CarbonylContact C-O 3.42Å; P312-L317 HydrophobicContact CB-CD1 3.95Å; P312-L317 HydrophobicContact CB-CD2 4.34Å; P312-L317 HydrophobicContact CB-CG 4.11Å; P312-L317 HydrophobicContact CG-CD1 3.99Å; P312-L317 HydrophobicContact CG-CD2 4.3Å; P312-L317 HydrophobicContact CG-CG 4.42Å; P312-K420 WeakPolarHBondContact O-CE 3.28Å; P312-K420 PolarHBondContact O-NZ 2.93Å; P312-E472 VanDerWaalsContact CG-OE2 3.3Å; P312-E472 WeakPolarHBondContact CG-OE2 3.48Å
313L96.5Very high94.2Very high26 Ų2656.4 Ų56.414%0.13630%0.3CS..THydrogen-bonded Turntrans-69.9-48.4173.2-17560.7000111.3Q311 K420 L473 L665Q311-L313 PolarHBondContact O-N 2.82Å; Q311-L313 VanDerWaalsContact O-N 3.15Å; L313-K420 VanDerWaalsContact O-CE 3.24Å; L313-K420 WeakPolarHBondContact O-CE 3.34Å; L313-K420 PolarHBondContact O-NZ 3.12Å; L313-L473 HydrophobicContact CD2-CB 4.14Å; L313-L473 HydrophobicContact CD2-CD1 3.58Å; L313-L473 HydrophobicContact CD2-CG 4.48Å; L313-L665 WeakPolarHBondContact CD2-OXT 3.37Å
314R94.2Very high94.2Very high126 Ų12658.5 Ų58.548%0.47531%0.311SS..THydrogen-bonded Turntrans-70.5-49.7178.9-173.2-173.670.4-165.9-3.8111.7Q311 A664Q311-R314 HydrophobicContact CB-CB 4.22Å; Q311-R314 PolarHBondContact O-N 3.47Å; Q311-R314 VanDerWaalsContact O-N 3.12Å; R314-A664 HydrophobicContact CB-CB 4.29Å; R314-A664 HydrophobicContact CG-CB 4.03Å
315D94.9Very high94.1Very high66 Ų6659.8 Ų59.835%0.35332%0.316SS..SBendtrans-103.8149.9-169.1-56-33000110.7Q311 P312 K420Q311-D315 PolarHBondContact O-N 3.28Å; P312-D315 CarbonylContact C-O 3.42Å; D315-K420 PolarHBondContact O-NZ 3Å
316N96.2Very high94.1Very high80 Ų8058.3 Ų58.343%0.42831%0.309SS..  trans-91.2112.4172.7-73.2-30000108.9K420 N421N316-K420 PolarHBondContact OD1-NZ 2.91Å; N316-N421 WeakPolarHBondContact CB-OD1 3.47Å
317L95.6Very high94Very high19 Ų1961 Ų6110%0.09932%0.322CS..  trans-64.6147.6-177-57.5-175.3000112.1P312 T321 Y322 F325 N421P312-L317 HydrophobicContact CB-CD1 3.95Å; P312-L317 HydrophobicContact CB-CD2 4.34Å; P312-L317 HydrophobicContact CB-CG 4.11Å; P312-L317 HydrophobicContact CG-CD1 3.99Å; P312-L317 HydrophobicContact CG-CD2 4.3Å; P312-L317 HydrophobicContact CG-CG 4.42Å; L317-T321 HydrophobicContact CB-CG2 4.4Å; L317-T321 HydrophobicContact CD1-CG2 4.16Å; L317-T321 HydrophobicContact CD2-CG2 4.4Å; L317-Y322 HydrophobicContact CB-CD2 4.32Å; L317-Y322 HydrophobicContact CB-CE1 4.49Å; L317-Y322 HydrophobicContact CB-CE2 3.75Å; L317-Y322 HydrophobicContact CD1-CE1 4.26Å; L317-Y322 WeakPolarHBondContact O-CE2 3.37Å; L317-F325 HydrophobicContact CD1-CE2 3.63Å; L317-F325 HydrophobicContact CD1-CZ 4.12Å; L317-N421 PolarHBondContact N-ND2 2.66Å; L317-N421 PolarHBondContact O-ND2 2.89Å
318S96.3Very high94Very high57 Ų5757.7 Ų57.740%0.39931%0.307SS..  trans-76159178.580.10000112T320 T321 Y322S318-T320 PolarHBondContact O-N 2.9Å; S318-T320 PolarHBondContact OG-N 3.2Å; S318-T321 WeakPolarHBondContact O-CB 3.45Å; S318-T321 PolarHBondContact O-N 3.09Å; S318-T321 VanDerWaalsContact O-N 3.15Å; S318-T321 PolarHBondContact OG-N 3.32Å; S318-T321 VanDerWaalsContact OG-N 3.11Å; S318-T321 PolarHBondContact OG-OG1 2.88Å; S318-Y322 VanDerWaalsContact O-CD2 3.25Å; S318-Y322 WeakPolarHBondContact O-CD2 3.24Å; S318-Y322 PolarHBondContact O-N 2.86Å
319S95.1Very high94Very high76 Ų7654 Ų5453%0.53130%0.296SS..Hα-helixtrans-59.9-31.2173.3-1750000112.7S323 R395S319-S323 WeakPolarHBondContact O-CB 3.44Å; S319-S323 PolarHBondContact O-N 3.09Å; S319-R395 PolarHBondContact OG-NH1 2.88Å
320T94.2Very high94Very high100 Ų10056.4 Ų56.461%0.61331%0.305SS*.Hα-helixtrans-67.7-41.5177-53.90000110.7S318 S323 I324S318-T320 PolarHBondContact O-N 2.9Å; S318-T320 PolarHBondContact OG-N 3.2Å; T320-S323 WeakPolarHBondContact O-CB 3.37Å; T320-S323 PolarHBondContact O-N 2.91Å; T320-I324 HydrophobicContact CG2-CD1 4.4Å; T320-I324 WeakPolarHBondContact O-CG1 3.49Å; T320-I324 PolarHBondContact O-N 3.4Å
321T93.1Very high94.1Very high31 Ų3153.2 Ų53.219%0.1929%0.289CS..Hα-helixtrans-60.8-49.6177.2-48.70000111.2L310 L317 S318 S323 I324 F325L310-T321 HydrophobicContact CD1-CG2 3.94Å; L317-T321 HydrophobicContact CB-CG2 4.4Å; L317-T321 HydrophobicContact CD1-CG2 4.16Å; L317-T321 HydrophobicContact CD2-CG2 4.4Å; S318-T321 WeakPolarHBondContact O-CB 3.45Å; S318-T321 PolarHBondContact O-N 3.09Å; S318-T321 VanDerWaalsContact O-N 3.15Å; S318-T321 PolarHBondContact OG-N 3.32Å; S318-T321 VanDerWaalsContact OG-N 3.11Å; S318-T321 PolarHBondContact OG-OG1 2.88Å; T321-S323 VanDerWaalsContact C-N 3.28Å; T321-S323 PolarHBondContact O-N 3.35Å; T321-I324 PolarHBondContact O-N 3.44Å; T321-I324 VanDerWaalsContact O-N 3.12Å; T321-F325 HydrophobicContact CG2-CE1 4.09Å; T321-F325 HydrophobicContact CG2-CE2 4.09Å; T321-F325 HydrophobicContact CG2-CZ 3.73Å; T321-F325 WeakPolarHBondContact O-CG 3.49Å; T321-F325 PolarHBondContact O-N 3.11Å; T321-F325 VanDerWaalsContact O-N 3.14Å
322Y94.7Very high94.2Very high24 Ų2454.5 Ų54.59%0.09429%0.293CS..Hα-helixtrans-59.9-39.6174.4-70.3-67.9000112.2L317 S318 I324 F325 E326 R395 N421 A424L317-Y322 HydrophobicContact CB-CD2 4.32Å; L317-Y322 HydrophobicContact CB-CE1 4.49Å; L317-Y322 HydrophobicContact CB-CE2 3.75Å; L317-Y322 HydrophobicContact CD1-CE1 4.26Å; L317-Y322 WeakPolarHBondContact O-CE2 3.37Å; S318-Y322 VanDerWaalsContact O-CD2 3.25Å; S318-Y322 WeakPolarHBondContact O-CD2 3.24Å; S318-Y322 PolarHBondContact O-N 2.86Å; Y322-I324 PolarHBondContact O-N 2.92Å; Y322-F325 HydrophobicContact CD1-CD2 4.3Å; Y322-F325 WeakPolarHBondContact O-CB 3.3Å; Y322-F325 PolarHBondContact O-N 3.08Å; Y322-E326 WeakPolarHBondContact O-CB 2.93Å; Y322-E326 VanDerWaalsContact O-CG 3.29Å; Y322-E326 WeakPolarHBondContact O-CG 3.32Å; Y322-E326 PolarHBondContact O-N 2.85Å; Y322-R395 HydrophobicContact CD1-CG 4.49Å; Y322-R395 HydrophobicContact CD2-CG 4.11Å; Y322-R395 HydrophobicContact CG-CG 3.93Å; Y322-N421 PolarHBondContact OH-ND2 3.13Å; Y322-N421 VanDerWaalsContact OH-ND2 3.1Å; Y322-A424 HydrophobicContact CE2-CB 4.32Å
323S93Very high94.2Very high54 Ų5459 Ų5938%0.37831%0.312SS..Hα-helixtrans-61.8-32.9177.1-164.70000113S319 T320 T321 M327S319-S323 WeakPolarHBondContact O-CB 3.44Å; S319-S323 PolarHBondContact O-N 3.09Å; T320-S323 WeakPolarHBondContact O-CB 3.37Å; T320-S323 PolarHBondContact O-N 2.91Å; T321-S323 VanDerWaalsContact C-N 3.28Å; T321-S323 PolarHBondContact O-N 3.35Å; S323-M327 WeakPolarHBondContact O-CG 3.41Å
324I90.7Very high94.2Very high93 Ų9358.2 Ų58.248%0.47731%0.309SS..Hα-helixtrans-70.2-44.9175.2-67.7164.8000110.4T320 T321 Y322 E326 M327T320-I324 HydrophobicContact CG2-CD1 4.4Å; T320-I324 WeakPolarHBondContact O-CG1 3.49Å; T320-I324 PolarHBondContact O-N 3.4Å; T321-I324 PolarHBondContact O-N 3.44Å; T321-I324 VanDerWaalsContact O-N 3.12Å; Y322-I324 PolarHBondContact O-N 2.92Å; I324-E326 PolarHBondContact O-N 2.77Å; I324-M327 HydrophobicContact CB-CE 4.24Å; I324-M327 HydrophobicContact CG1-CE 4.16Å; I324-M327 HydrophobicContact CG2-CE 4.07Å; I324-M327 WeakPolarHBondContact O-CB 3.38Å; I324-M327 PolarHBondContact O-N 2.97Å
325F92Very high94.5Very high41 Ų4152.2 Ų52.218%0.1829%0.287CS..Hα-helixtrans-57.3-38.4176.2-62-18.2000112.4L310 L317 T321 Y322 M327 D328 Y332L310-F325 HydrophobicContact CD1-CE1 3.88Å; L310-F325 HydrophobicContact CD1-CZ 3.49Å; L310-F325 VanDerWaalsContact CD1-CZ 3.49Å; L317-F325 HydrophobicContact CD1-CE2 3.63Å; L317-F325 HydrophobicContact CD1-CZ 4.12Å; T321-F325 HydrophobicContact CG2-CE1 4.09Å; T321-F325 HydrophobicContact CG2-CE2 4.09Å; T321-F325 HydrophobicContact CG2-CZ 3.73Å; T321-F325 WeakPolarHBondContact O-CG 3.49Å; T321-F325 PolarHBondContact O-N 3.11Å; T321-F325 VanDerWaalsContact O-N 3.14Å; Y322-F325 HydrophobicContact CD1-CD2 4.3Å; Y322-F325 WeakPolarHBondContact O-CB 3.3Å; Y322-F325 PolarHBondContact O-N 3.08Å; F325-M327 PolarHBondContact O-N 3.22Å; F325-D328 PolarHBondContact O-N 2.78Å; F325-Y332 WeakPolarHBondContact O-CE2 3.33Å; F325-Y332 PolarHBondContact O-OH 2.84Å
326E93.2Very high94.6Very high64 Ų6451 Ų5130%0.29928%0.279SS..THydrogen-bonded Turntrans-72-9.8-179.4-72.3165.2-143.700113.8Y322 I324 D328 R395 P397Y322-E326 WeakPolarHBondContact O-CB 2.93Å; Y322-E326 VanDerWaalsContact O-CG 3.29Å; Y322-E326 WeakPolarHBondContact O-CG 3.32Å; Y322-E326 PolarHBondContact O-N 2.85Å; I324-E326 PolarHBondContact O-N 2.77Å; E326-D328 PolarHBondContact O-N 3.2Å; E326-R395 WeakPolarHBondContact OE1-CB 3.4Å; E326-R395 IonicContact OE1-CZ 3.93Å; E326-R395 IonicContact OE1-NE 3.6Å; E326-R395 PolarHBondContact OE1-NE 3.1Å; E326-R395 IonicContact OE1-NH2 2.93Å; E326-R395 PolarHBondContact OE1-NH2 2.83Å; E326-R395 VanDerWaalsContact OE1-NH2 3.16Å; E326-R395 IonicContact OE2-CZ 3.2Å; E326-R395 IonicContact OE2-NE 3.24Å; E326-R395 IonicContact OE2-NH2 2.73Å; E326-R395 PolarHBondContact OE2-NH2 3.32Å; E326-P397 HydrophobicContact CG-CB 4.38Å; E326-P397 HydrophobicContact CG-CG 4.1Å
327M90.7Very high94.7Very high88 Ų8849 Ų4943%0.43327%0.27SS..THydrogen-bonded Turntrans-80.3-1.5175.5-55.2-165.1-64.200113.7Q298 S323 I324 F325 P329Q298-M327 PolarHBondContact NE2-O 3.16Å; S323-M327 WeakPolarHBondContact O-CG 3.41Å; I324-M327 HydrophobicContact CB-CE 4.24Å; I324-M327 HydrophobicContact CG1-CE 4.16Å; I324-M327 HydrophobicContact CG2-CE 4.07Å; I324-M327 WeakPolarHBondContact O-CB 3.38Å; I324-M327 PolarHBondContact O-N 2.97Å; F325-M327 PolarHBondContact O-N 3.22Å; M327-P329 WeakPolarHBondContact O-CD 3.43Å
328D92.4Very high94.9Very high0 Ų048.1 Ų48.10%027%0.265CS..  trans-96.892.4179-168.5-29.4000111.3F325 E326 F330 K331 Y332 M604 V605 S606F325-D328 PolarHBondContact O-N 2.78Å; E326-D328 PolarHBondContact O-N 3.2Å; D328-F330 VanDerWaalsContact C-N 3.3Å; D328-F330 PolarHBondContact O-N 3.27Å; D328-F330 PolarHBondContact OD1-N 3.08Å; D328-K331 HydrophobicContact CB-CB 4.09Å; D328-K331 PolarHBondContact OD1-N 2.75Å; D328-Y332 WeakPolarHBondContact O-CD2 3.46Å; D328-M604 VanDerWaalsContact OD2-CG 3.28Å; D328-M604 WeakPolarHBondContact OD2-CG 3.47Å; D328-V605 HydrophobicContact CB-CG2 3.61Å; D328-V605 PolarHBondContact OD2-N 3.22Å; D328-S606 WeakPolarHBondContact CB-OG 3.39Å; D328-S606 VanDerWaalsContact CG-OG 3.27Å; D328-S606 VanDerWaalsContact OD2-CB 3.28Å; D328-S606 WeakPolarHBondContact OD2-CB 3.36Å; D328-S606 PolarHBondContact OD2-N 3.33Å; D328-S606 PolarHBondContact OD2-OG 2.84Å
329P91.2Very high95Very high73 Ų7345.4 Ų45.447%0.47425%0.246SC..Hα-helixtrans-66.7-33.5-178.727.7-35.9000112.4L294 M327 K331 Q333L294-P329 HydrophobicContact CD2-CG 4.5Å; M327-P329 WeakPolarHBondContact O-CD 3.43Å; P329-K331 PolarHBondContact O-N 2.61Å; P329-Q333 WeakPolarHBondContact O-CB 3.33Å; P329-Q333 PolarHBondContact O-N 3.43Å; P329-Q333 VanDerWaalsContact O-N 3.08Å
330F93.7Very high95.2Very high59 Ų5945.4 Ų45.426%0.25924%0.235SC..Hα-helixtrans-63.7-45.6-176.7-175.8-85.4000110.6D328 Y332 Q333 A334 L593 S601 P602 M604D328-F330 VanDerWaalsContact C-N 3.3Å; D328-F330 PolarHBondContact O-N 3.27Å; D328-F330 PolarHBondContact OD1-N 3.08Å; F330-Y332 PolarHBondContact O-N 2.81Å; F330-Q333 PolarHBondContact O-N 3.06Å; F330-A334 HydrophobicContact CE1-CB 4.42Å; F330-A334 WeakPolarHBondContact O-CB 3.19Å; F330-A334 PolarHBondContact O-N 3.32Å; F330-L593 HydrophobicContact CD1-CD2 3.98Å; F330-L593 HydrophobicContact CE1-CD2 3.77Å; F330-S601 VanDerWaalsContact CE1-CB 3.4Å; F330-P602 WeakPolarHBondContact CD2-O 3.37Å; F330-P602 WeakPolarHBondContact CG-O 3.43Å; F330-M604 HydrophobicContact CD1-CB 4.25Å
331K96.6Very high95.4Very high1 Ų143.1 Ų43.10%0.00422%0.216CC..Hα-helixtrans-51.9-57.4178-18017270.9177.30111.5D328 P329 Q333 A334 Y335 E463 L593 S606 W607D328-K331 HydrophobicContact CB-CB 4.09Å; D328-K331 PolarHBondContact OD1-N 2.75Å; P329-K331 PolarHBondContact O-N 2.61Å; K331-Q333 PolarHBondContact O-N 3.26Å; K331-A334 WeakPolarHBondContact O-CB 3.2Å; K331-A334 PolarHBondContact O-N 2.89Å; K331-Y335 HydrophobicContact CG-CD2 4.02Å; K331-Y335 HydrophobicContact CG-CE2 3.99Å; K331-Y335 VanDerWaalsContact O-CD2 3.3Å; K331-Y335 WeakPolarHBondContact O-CD2 3.18Å; K331-Y335 PolarHBondContact O-N 2.86Å; K331-E463 HydrophobicContact CD-CG 4.13Å; K331-E463 IonicContact NZ-OE2 2.78Å; K331-E463 PolarHBondContact NZ-OE2 3.46Å; K331-L593 HydrophobicContact CG-CD1 4.26Å; K331-S606 WeakPolarHBondContact CD-OG 3.5Å; K331-S606 WeakPolarHBondContact CE-OG 3.46Å; K331-S606 PolarHBondContact NZ-OG 3.32Å; K331-W607 HydrophobicContact CD-CH2 3.29Å; K331-W607 HydrophobicContact CD-CZ2 4.03Å; K331-W607 HydrophobicContact CD-CZ3 3.89Å; K331-W607 HydrophobicContact CG-CH2 4.02Å; K331-W607 HydrophobicContact CG-CZ3 4.42Å
332Y96.8Very high95.6Very high36 Ų3641.6 Ų41.614%0.14121%0.207CC..Hα-helixtrans-70.1-31.9-174.9-59.1-69.3000113F325 D328 F330 Y335 E336 P397 L398F325-Y332 WeakPolarHBondContact O-CE2 3.33Å; F325-Y332 PolarHBondContact O-OH 2.84Å; D328-Y332 WeakPolarHBondContact O-CD2 3.46Å; F330-Y332 PolarHBondContact O-N 2.81Å; Y332-Y335 PolarHBondContact O-N 3Å; Y332-E336 WeakPolarHBondContact O-CB 3.35Å; Y332-E336 PolarHBondContact O-N 3.36Å; Y332-P397 HydrophobicContact CD1-CB 3.81Å; Y332-P397 HydrophobicContact CD1-CG 4.22Å; Y332-P397 HydrophobicContact CE1-CB 3.5Å; Y332-P397 HydrophobicContact CE1-CG 3.44Å; Y332-P397 VanDerWaalsContact CE1-CG 3.44Å; Y332-P397 HydrophobicContact CE2-CB 4.45Å; Y332-P397 HydrophobicContact CG-CB 4.39Å; Y332-L398 HydrophobicContact CD1-CD2 4.09Å; Y332-L398 HydrophobicContact CD1-CG 4.46Å; Y332-L398 HydrophobicContact CE1-CG 4.46Å
333Q96.9Very high95.8Very high126 Ų12640.5 Ų40.559%0.58920%0.203SC*.Hα-helixtrans-65.2-38.6173.2-174178.811.600112.1P329 F330 K331 T337P329-Q333 WeakPolarHBondContact O-CB 3.33Å; P329-Q333 PolarHBondContact O-N 3.43Å; P329-Q333 VanDerWaalsContact O-N 3.08Å; F330-Q333 PolarHBondContact O-N 3.06Å; K331-Q333 PolarHBondContact O-N 3.26Å; Q333-T337 WeakPolarHBondContact O-CB 3.39Å; Q333-T337 PolarHBondContact O-N 2.66Å; Q333-T337 PolarHBondContact O-OG1 2.69Å
334A97.8Very high96Very high9 Ų939.9 Ų39.97%0.07420%0.198CC..Hα-helixtrans-64.3-45.817400000110.9F330 K331 T337 A338 L587 V591 L593F330-A334 HydrophobicContact CE1-CB 4.42Å; F330-A334 WeakPolarHBondContact O-CB 3.19Å; F330-A334 PolarHBondContact O-N 3.32Å; K331-A334 WeakPolarHBondContact O-CB 3.2Å; K331-A334 PolarHBondContact O-N 2.89Å; A334-T337 PolarHBondContact O-N 3.14Å; A334-A338 WeakPolarHBondContact O-CB 3.29Å; A334-A338 PolarHBondContact O-N 3.19Å; A334-L587 HydrophobicContact CB-CD1 3.8Å; A334-V591 HydrophobicContact CB-CG1 4.19Å; A334-V591 WeakPolarHBondContact O-CG1 3.14Å; A334-L593 HydrophobicContact CB-CD2 3.69Å
335Y98.6Very high96.2Very high0 Ų037.1 Ų37.10%018%0.184CC..Hα-helixtrans-59.7-48.5174.2-86-81.2000112.5K331 Y332 T337 A338 I339 L398 V461 S462 E463 I492 L587 L593K331-Y335 HydrophobicContact CG-CD2 4.02Å; K331-Y335 HydrophobicContact CG-CE2 3.99Å; K331-Y335 VanDerWaalsContact O-CD2 3.3Å; K331-Y335 WeakPolarHBondContact O-CD2 3.18Å; K331-Y335 PolarHBondContact O-N 2.86Å; Y332-Y335 PolarHBondContact O-N 3Å; Y335-T337 PolarHBondContact O-N 3.23Å; Y335-A338 PolarHBondContact O-N 3.24Å; Y335-A338 VanDerWaalsContact O-N 3.16Å; Y335-I339 WeakPolarHBondContact O-CD1 3.36Å; Y335-I339 WeakPolarHBondContact O-CG1 3.24Å; Y335-I339 PolarHBondContact O-N 3.41Å; Y335-L398 HydrophobicContact CD1-CD2 3.78Å; Y335-L398 HydrophobicContact CD2-CD2 3.91Å; Y335-L398 HydrophobicContact CE1-CD2 4.48Å; Y335-L398 HydrophobicContact CG-CD2 3.47Å; Y335-L398 VanDerWaalsContact CG-CD2 3.47Å; Y335-V461 HydrophobicContact CD1-CG1 4.16Å; Y335-S462 VanDerWaalsContact CE1-O 3.27Å; Y335-S462 WeakPolarHBondContact CE1-O 3.34Å; Y335-S462 PolarHBondContact OH-O 3.08Å; Y335-S462 VanDerWaalsContact OH-O 3.1Å; Y335-E463 HydrophobicContact CE2-CB 4.15Å; Y335-E463 HydrophobicContact CE2-CG 3.64Å; Y335-E463 WeakPolarHBondContact OH-CG 3.39Å; Y335-I492 HydrophobicContact CD1-CG2 3.92Å; Y335-I492 HydrophobicContact CE1-CG2 4.01Å; Y335-L587 HydrophobicContact CD1-CD1 4.22Å; Y335-L587 HydrophobicContact CD1-CD2 4.47Å; Y335-L587 HydrophobicContact CD2-CD1 4.07Å; Y335-L587 HydrophobicContact CE1-CD1 4.4Å; Y335-L587 HydrophobicContact CE1-CD2 3.87Å; Y335-L587 HydrophobicContact CE2-CD1 4.25Å; Y335-L587 HydrophobicContact CE2-CD2 4.17Å; Y335-L587 HydrophobicContact CG-CD1 4.03Å; Y335-L593 HydrophobicContact CD2-CD1 4.42Å; Y335-L593 HydrophobicContact CE2-CD1 3.77Å
336E98.7Very high96.4Very high41 Ų4136.3 Ų36.319%0.19218%0.18CC..Hα-helixtrans-55.2-42.3175.5-175.1-176.6119.700111.2Y332 I339 Y340 A401 N404 A405 R408Y332-E336 WeakPolarHBondContact O-CB 3.35Å; Y332-E336 PolarHBondContact O-N 3.36Å; E336-I339 PolarHBondContact O-N 2.89Å; E336-Y340 VanDerWaalsContact O-CB 3.32Å; E336-Y340 WeakPolarHBondContact O-CB 3.36Å; E336-Y340 PolarHBondContact O-N 3.33Å; E336-A401 HydrophobicContact CB-CB 4.03Å; E336-N404 HydrophobicContact CG-CB 4.12Å; E336-N404 WeakPolarHBondContact OE2-CB 3.32Å; E336-N404 PolarHBondContact OE2-ND2 3.5Å; E336-A405 HydrophobicContact CG-CB 4.04Å; E336-A405 WeakPolarHBondContact O-CB 3.23Å; E336-R408 IonicContact OE1-NH1 2.69Å; E336-R408 PolarHBondContact OE1-NH1 3.27Å
337T98.5Very high96.3Very high38 Ų3834.2 Ų34.223%0.23317%0.171CC..Hα-helixtrans-67.5-40.8178.8-580000112.7Q333 A334 Y335 K341 V591Q333-T337 WeakPolarHBondContact O-CB 3.39Å; Q333-T337 PolarHBondContact O-N 2.66Å; Q333-T337 PolarHBondContact O-OG1 2.69Å; A334-T337 PolarHBondContact O-N 3.14Å; Y335-T337 PolarHBondContact O-N 3.23Å; T337-K341 WeakPolarHBondContact O-CG 3.45Å; T337-K341 PolarHBondContact O-N 3.38Å; T337-K341 VanDerWaalsContact O-N 3.08Å; T337-V591 HydrophobicContact CG2-CG2 3.94Å
338A98.8Very high96.2Very high0 Ų032.1 Ų32.10%016%0.164CC..Hα-helixtrans-63.4-46.6175.100000111.5A334 Y335 K341 A342 I492 L587 V591A334-A338 WeakPolarHBondContact O-CB 3.29Å; A334-A338 PolarHBondContact O-N 3.19Å; Y335-A338 PolarHBondContact O-N 3.24Å; Y335-A338 VanDerWaalsContact O-N 3.16Å; A338-K341 PolarHBondContact O-N 2.89Å; A338-A342 WeakPolarHBondContact O-CB 3.37Å; A338-A342 PolarHBondContact O-N 3.35Å; A338-I492 HydrophobicContact CB-CD1 4.29Å; A338-I492 HydrophobicContact CB-CG2 4.06Å; A338-L587 HydrophobicContact CB-CB 3.62Å; A338-L587 HydrophobicContact CB-CD1 4.34Å; A338-V591 HydrophobicContact CB-CB 4.23Å; A338-V591 HydrophobicContact CB-CG1 4.14Å
339I98.8Very high96Very high0 Ų038.2 Ų38.20%019%0.191CC..Hα-helixtrans-61.6-46.6178.4-62.7157.8000110.3Y335 E336 K341 A342 L343 A401 T402 A405 V461 I492Y335-I339 WeakPolarHBondContact O-CD1 3.36Å; Y335-I339 WeakPolarHBondContact O-CG1 3.24Å; Y335-I339 PolarHBondContact O-N 3.41Å; E336-I339 PolarHBondContact O-N 2.89Å; I339-K341 PolarHBondContact O-N 2.76Å; I339-A342 PolarHBondContact O-N 3.1Å; I339-L343 HydrophobicContact CG2-CD1 3.96Å; I339-L343 HydrophobicContact CG2-CG 4.32Å; I339-L343 WeakPolarHBondContact O-CG 3.22Å; I339-L343 PolarHBondContact O-N 3.42Å; I339-A401 HydrophobicContact CD1-CB 4.35Å; I339-T402 HydrophobicContact CG2-CG2 4.39Å; I339-A405 HydrophobicContact CB-CB 3.81Å; I339-A405 HydrophobicContact CG2-CB 3.62Å; I339-V461 HydrophobicContact CD1-CG1 3.91Å; I339-V461 HydrophobicContact CD1-CG2 4.03Å; I339-V461 HydrophobicContact CG1-CG1 4.33Å; I339-V461 HydrophobicContact CG1-CG2 3.83Å; I339-I492 HydrophobicContact CB-CD1 4.45Å; I339-I492 HydrophobicContact CG1-CD1 3.96Å
340Y98.7Very high95.5Very high75 Ų7538.7 Ų38.729%0.29418%0.184SC..Hα-helixtrans-57-48.5177.2164.8-98.1000111.9E336 A342 L343 C344 R408 A409E336-Y340 VanDerWaalsContact O-CB 3.32Å; E336-Y340 WeakPolarHBondContact O-CB 3.36Å; E336-Y340 PolarHBondContact O-N 3.33Å; Y340-A342 PolarHBondContact O-N 2.99Å; Y340-L343 PolarHBondContact O-N 3.14Å; Y340-C344 VanDerWaalsContact CE2-SG 3.59Å; Y340-C344 VanDerWaalsContact CZ-SG 3.56Å; Y340-C344 PolarHBondContact O-N 2.95Å; Y340-C344 PolarHBondContact O-SG 3.44Å; Y340-R408 HydrophobicContact CD2-CB 3.9Å; Y340-R408 HydrophobicContact CD2-CG 3.8Å; Y340-R408 HydrophobicContact CE2-CB 4.16Å; Y340-R408 HydrophobicContact CE2-CG 3.69Å; Y340-A409 HydrophobicContact CD2-CB 3.82Å; Y340-A409 HydrophobicContact CE2-CB 4.09Å
341K98.6Very high94.8Very high52 Ų5238.7 Ų38.723%0.22619%0.187CC..Hα-helixtrans-61.9-44.1178.8-75.9179.3175.9178.30111.2T337 A338 I339 L343 C344 D345 Y588 D590 V591T337-K341 WeakPolarHBondContact O-CG 3.45Å; T337-K341 PolarHBondContact O-N 3.38Å; T337-K341 VanDerWaalsContact O-N 3.08Å; A338-K341 PolarHBondContact O-N 2.89Å; I339-K341 PolarHBondContact O-N 2.76Å; K341-L343 PolarHBondContact O-N 3.48Å; K341-C344 PolarHBondContact O-N 3.14Å; K341-D345 PolarHBondContact O-N 3.43Å; K341-Y588 HydrophobicContact CB-CD1 3.74Å; K341-Y588 HydrophobicContact CB-CE1 3.98Å; K341-D590 IonicContact NZ-OD1 3.43Å; K341-D590 PolarHBondContact NZ-OD1 3.25Å; K341-D590 IonicContact NZ-OD2 3.95Å; K341-D590 PolarHBondContact NZ-OD2 3.45Å; K341-V591 HydrophobicContact CD-CG2 3.79Å
342A98.4Very high94Very high0 Ų044.6 Ų44.60%021%0.214CC..Hα-helixtrans-61.2-42.717700000112.2A338 I339 Y340 D345 R346 I459 I490 I492 Y588A338-A342 WeakPolarHBondContact O-CB 3.37Å; A338-A342 PolarHBondContact O-N 3.35Å; I339-A342 PolarHBondContact O-N 3.1Å; Y340-A342 PolarHBondContact O-N 2.99Å; A342-D345 PolarHBondContact O-N 3.46Å; A342-R346 WeakPolarHBondContact O-CG 3.45Å; A342-R346 PolarHBondContact O-N 3.11Å; A342-I459 HydrophobicContact CB-CD1 3.91Å; A342-I490 HydrophobicContact CB-CD1 4.08Å; A342-I490 HydrophobicContact CB-CG2 4.4Å; A342-I492 HydrophobicContact CB-CD1 3.98Å; A342-Y588 HydrophobicContact CB-CD1 4.07Å; A342-Y588 HydrophobicContact CB-CD2 4.19Å; A342-Y588 HydrophobicContact CB-CE1 3.95Å; A342-Y588 HydrophobicContact CB-CE2 4.1Å; A342-Y588 HydrophobicContact CB-CG 4.18Å
343L98.1Very high93Very high0 Ų045.9 Ų45.90%023%0.229CC..Hα-helixtrans-62.1-46.2174.5-70.5171.9000111.6I339 Y340 K341 D345 R346 L347 Q386 V388 A405 A406 A409 C411 V413 I459I339-L343 HydrophobicContact CG2-CD1 3.96Å; I339-L343 HydrophobicContact CG2-CG 4.32Å; I339-L343 WeakPolarHBondContact O-CG 3.22Å; I339-L343 PolarHBondContact O-N 3.42Å; Y340-L343 PolarHBondContact O-N 3.14Å; K341-L343 PolarHBondContact O-N 3.48Å; L343-D345 VanDerWaalsContact C-N 3.34Å; L343-D345 PolarHBondContact O-N 3.17Å; L343-R346 PolarHBondContact O-N 2.91Å; L343-L347 WeakPolarHBondContact O-CB 3.34Å; L343-L347 WeakPolarHBondContact O-CG 3.47Å; L343-L347 PolarHBondContact O-N 2.95Å; L343-Q386 HydrophobicContact CD2-CB 4.12Å; L343-Q386 HydrophobicContact CD2-CG 4.21Å; L343-V388 HydrophobicContact CD2-CG2 4.47Å; L343-A405 HydrophobicContact CD1-CB 4.48Å; L343-A406 HydrophobicContact CD1-CB 4.1Å; L343-A409 HydrophobicContact CB-CB 4.01Å; L343-A409 HydrophobicContact CD1-CB 4.37Å; L343-C411 HydrophobicContact CB-CB 4.43Å; L343-C411 HydrophobicContact CD1-CB 4.46Å; L343-C411 HydrophobicContact CD2-CB 4.48Å; L343-V413 HydrophobicContact CD1-CG1 4.26Å; L343-V413 HydrophobicContact CD2-CG1 3.96Å; L343-I459 HydrophobicContact CD2-CD1 3.7Å; L343-I459 HydrophobicContact CG-CD1 4.05Å
344C96.5Very high91.6Very high41 Ų4142.9 Ų42.928%0.27722%0.216SC..Hα-helixtrans-59.1-42.9176.5-69.50000112.5Y340 K341 L347 S348Y340-C344 VanDerWaalsContact CE2-SG 3.59Å; Y340-C344 VanDerWaalsContact CZ-SG 3.56Å; Y340-C344 PolarHBondContact O-N 2.95Å; Y340-C344 PolarHBondContact O-SG 3.44Å; K341-C344 PolarHBondContact O-N 3.14Å; C344-L347 PolarHBondContact O-N 2.93Å; C344-S348 PolarHBondContact O-N 3Å; C344-S348 PolarHBondContact O-OG 3.2Å
345D95.9Very high90Very high36 Ų3645.8 Ų45.819%0.19323%0.234CC..Hα-helixtrans-69.4-33178.8-74-50.5000113.2K341 A342 L343 S348 K349 Y588 K589K341-D345 PolarHBondContact O-N 3.43Å; A342-D345 PolarHBondContact O-N 3.46Å; L343-D345 VanDerWaalsContact C-N 3.34Å; L343-D345 PolarHBondContact O-N 3.17Å; D345-S348 WeakPolarHBondContact CA-OG 3.18Å; D345-S348 PolarHBondContact O-OG 2.85Å; D345-K349 WeakPolarHBondContact O-CG 3.45Å; D345-K349 PolarHBondContact O-N 2.87Å; D345-Y588 WeakPolarHBondContact CB-OH 3.27Å; D345-Y588 WeakPolarHBondContact OD2-CE1 3.2Å; D345-Y588 PolarHBondContact OD2-OH 3.23Å; D345-Y588 VanDerWaalsContact OD2-OH 3.04Å; D345-K589 IonicContact OD1-NZ 3.22Å; D345-K589 PolarHBondContact OD1-NZ 3.24Å; D345-K589 WeakPolarHBondContact OD2-CE 3.2Å; D345-K589 IonicContact OD2-NZ 3.95Å; D345-K589 PolarHBondContact OD2-NZ 3.15Å
346R94.9Very high88.1Confident24 Ų2450.1 Ų50.19%0.09126%0.26CS..Hα-helixtrans-70.8-39.8173.6-70.7-168.568.973.22.7111.4A342 L343 Y350 D458 D488 I490A342-R346 WeakPolarHBondContact O-CG 3.45Å; A342-R346 PolarHBondContact O-N 3.11Å; L343-R346 PolarHBondContact O-N 2.91Å; R346-Y350 WeakPolarHBondContact O-CB 3.36Å; R346-Y350 PolarHBondContact O-N 2.94Å; R346-Y350 VanDerWaalsContact O-N 3.08Å; R346-D458 IonicContact CZ-OD1 2.96Å; R346-D458 IonicContact NE-OD1 3.91Å; R346-D458 IonicContact NH2-OD1 2.89Å; R346-D458 PolarHBondContact NH2-OD1 3.39Å; R346-D488 IonicContact CZ-OD2 3.91Å; R346-D488 VanDerWaalsContact CZ-OD2 3.3Å; R346-D488 PolarHBondContact NH1-O 2.68Å; R346-D488 IonicContact NH1-OD2 2.66Å; R346-D488 PolarHBondContact NH1-OD2 3.05Å; R346-D488 IonicContact NH2-OD1 3.32Å; R346-D488 IonicContact NH2-OD2 2.92Å; R346-D488 PolarHBondContact NH2-OD2 3.26Å; R346-I490 HydrophobicContact CG-CD1 3.82Å
347L91.5Very high86Confident20 Ų2052.8 Ų52.811%0.10528%0.279CS..Hα-helixtrans-63.5-41.9175-73.9174.8000112.4L343 C344 Y350 N351 C411L343-L347 WeakPolarHBondContact O-CB 3.34Å; L343-L347 WeakPolarHBondContact O-CG 3.47Å; L343-L347 PolarHBondContact O-N 2.95Å; C344-L347 PolarHBondContact O-N 2.93Å; L347-Y350 PolarHBondContact O-N 3.43Å; L347-N351 VanDerWaalsContact O-CG 3.31Å; L347-N351 PolarHBondContact O-N 2.82Å; L347-N351 PolarHBondContact O-ND2 2.84Å; L347-C411 HydrophobicContact CD1-CB 3.81Å
348S89.9Confident83.9Confident43 Ų4358 Ų5830%0.30130%0.301SS..Hα-helixtrans-64.5-47.4178.461.90000112C344 D345 Y350 N351 E352C344-S348 PolarHBondContact O-N 3Å; C344-S348 PolarHBondContact O-OG 3.2Å; D345-S348 WeakPolarHBondContact CA-OG 3.18Å; D345-S348 PolarHBondContact O-OG 2.85Å; S348-Y350 VanDerWaalsContact C-N 3.27Å; S348-Y350 PolarHBondContact O-N 2.96Å; S348-N351 PolarHBondContact O-N 2.78Å; S348-N351 VanDerWaalsContact O-N 3.11Å; S348-E352 WeakPolarHBondContact O-CG 3.46Å; S348-E352 PolarHBondContact O-N 2.87Å
349K87Confident81.7Confident128 Ų12864 Ų6456%0.55733%0.333SS*.Hα-helixtrans-58.8-37.9175.4-73176.8-178.9-1780112.7D345 S353D345-K349 WeakPolarHBondContact O-CG 3.45Å; D345-K349 PolarHBondContact O-N 2.87Å; K349-S353 WeakPolarHBondContact O-CB 3.06Å; K349-S353 PolarHBondContact O-N 3.41Å; K349-S353 PolarHBondContact O-OG 2.86Å
350Y80.6Confident79.5Confident83 Ų8372 Ų7233%0.32537%0.37SS..Hα-helixtrans-65.4-42.2175.8-174-103.1000111.9R346 L347 S348 S353 N354 T384R346-Y350 WeakPolarHBondContact O-CB 3.36Å; R346-Y350 PolarHBondContact O-N 2.94Å; R346-Y350 VanDerWaalsContact O-N 3.08Å; L347-Y350 PolarHBondContact O-N 3.43Å; S348-Y350 VanDerWaalsContact C-N 3.27Å; S348-Y350 PolarHBondContact O-N 2.96Å; Y350-S353 WeakPolarHBondContact CA-OG 3.39Å; Y350-S353 PolarHBondContact O-N 3.43Å; Y350-S353 PolarHBondContact O-OG 2.93Å; Y350-N354 WeakPolarHBondContact CE1-ND2 3.45Å; Y350-N354 PolarHBondContact O-N 2.95Å; Y350-N354 VanDerWaalsContact O-N 3.11Å; Y350-N354 PolarHBondContact O-ND2 3.34Å; Y350-N354 PolarHBondContact OH-ND2 2.83Å; Y350-T384 HydrophobicContact CD1-CG2 4.16Å; Y350-T384 HydrophobicContact CD2-CG2 4.23Å; Y350-T384 HydrophobicContact CE1-CG2 3.47Å; Y350-T384 VanDerWaalsContact CE1-CG2 3.47Å; Y350-T384 HydrophobicContact CE2-CG2 3.59Å; Y350-T384 VanDerWaalsContact OH-CG2 3.31Å; Y350-T384 WeakPolarHBondContact OH-CG2 3.29Å
351N80Confident77Confident59 Ų5975.7 Ų75.732%0.31639%0.394SS..Hα-helixtrans-69.6-35.5177.2-68-25.9000112.6L347 S348 T355L347-N351 VanDerWaalsContact O-CG 3.31Å; L347-N351 PolarHBondContact O-N 2.82Å; L347-N351 PolarHBondContact O-ND2 2.84Å; S348-N351 PolarHBondContact O-N 2.78Å; S348-N351 VanDerWaalsContact O-N 3.11Å; N351-T355 WeakPolarHBondContact O-CB 3.27Å; N351-T355 VanDerWaalsContact O-CG2 3.31Å; N351-T355 WeakPolarHBondContact O-CG2 3.28Å; N351-T355 PolarHBondContact O-N 3.37Å; N351-T355 PolarHBondContact O-OG1 2.54Å
352E79.5Confident74.6Confident125 Ų12579.9 Ų79.958%0.58442%0.417SS*.Hα-helixtrans-66.6-44.3174.2-73.8175-172.300111.8S348 N354 T355 V356S348-E352 WeakPolarHBondContact O-CG 3.46Å; S348-E352 PolarHBondContact O-N 2.87Å; E352-N354 PolarHBondContact O-N 2.85Å; E352-T355 WeakPolarHBondContact CA-OG1 3.49Å; E352-T355 PolarHBondContact O-N 3.4Å; E352-T355 PolarHBondContact O-OG1 3.12Å; E352-V356 WeakPolarHBondContact O-CG2 3.21Å; E352-V356 PolarHBondContact O-N 3.2Å; E352-V356 VanDerWaalsContact O-N 3.14Å
353S74.8Confident71.9Confident64 Ų6489.3 Ų89.345%0.44846%0.458SS..Hα-helixtrans-66.2-36.4178.748.80000112.9K349 Y350 T357K349-S353 WeakPolarHBondContact O-CB 3.06Å; K349-S353 PolarHBondContact O-N 3.41Å; K349-S353 PolarHBondContact O-OG 2.86Å; Y350-S353 WeakPolarHBondContact CA-OG 3.39Å; Y350-S353 PolarHBondContact O-N 3.43Å; Y350-S353 PolarHBondContact O-OG 2.93Å; S353-T357 PolarHBondContact O-N 3.5Å; S353-T357 PolarHBondContact O-OG1 3.33Å
354N67.9Low69.2Low62 Ų6295 Ų9533%0.33250%0.496SS..Hα-helixtrans-71.5-37174.7-74.4-17.3000113.4Y350 E352 V356 T357 E358Y350-N354 WeakPolarHBondContact CE1-ND2 3.45Å; Y350-N354 PolarHBondContact O-N 2.95Å; Y350-N354 VanDerWaalsContact O-N 3.11Å; Y350-N354 PolarHBondContact O-ND2 3.34Å; Y350-N354 PolarHBondContact OH-ND2 2.83Å; E352-N354 PolarHBondContact O-N 2.85Å; N354-V356 VanDerWaalsContact C-N 3.34Å; N354-V356 PolarHBondContact O-N 3.43Å; N354-T357 WeakPolarHBondContact CA-OG1 3.29Å; N354-T357 PolarHBondContact O-N 2.8Å; N354-T357 PolarHBondContact O-OG1 2.95Å; N354-T357 VanDerWaalsContact O-OG1 3.11Å; N354-E358 PolarHBondContact O-N 3.17Å
355T63.4Low66.5Low71 Ų7199.1 Ų99.144%0.43652%0.521SS..Hα-helixtrans-70.4-30.2178.246.70000112.6N351 E352 N359N351-T355 WeakPolarHBondContact O-CB 3.27Å; N351-T355 VanDerWaalsContact O-CG2 3.31Å; N351-T355 WeakPolarHBondContact O-CG2 3.28Å; N351-T355 PolarHBondContact O-N 3.37Å; N351-T355 PolarHBondContact O-OG1 2.54Å; E352-T355 WeakPolarHBondContact CA-OG1 3.49Å; E352-T355 PolarHBondContact O-N 3.4Å; E352-T355 PolarHBondContact O-OG1 3.12Å; T355-N359 WeakPolarHBondContact O-CB 3.42Å; T355-N359 PolarHBondContact O-N 2.94Å; T355-N359 PolarHBondContact O-ND2 3.34Å; T355-N359 VanDerWaalsContact O-ND2 3.07Å
356V59.6Low63.9Low90 Ų90106.4 Ų106.455%0.54555%0.554SS.*Hα-helixtrans-71.2-32.1173.61760000112E352 N354 H360E352-V356 WeakPolarHBondContact O-CG2 3.21Å; E352-V356 PolarHBondContact O-N 3.2Å; E352-V356 VanDerWaalsContact O-N 3.14Å; N354-V356 VanDerWaalsContact C-N 3.34Å; N354-V356 PolarHBondContact O-N 3.43Å; V356-H360 PolarHBondContact O-CD2 3.1Å
357T55.1Low61.4Low98 Ų98110.6 Ų110.660%0.60159%0.587SS**Hα-helixtrans-74.3-32.5177.316.70000112.9S353 N354S353-T357 PolarHBondContact O-N 3.5Å; S353-T357 PolarHBondContact O-OG1 3.33Å; N354-T357 WeakPolarHBondContact CA-OG1 3.29Å; N354-T357 PolarHBondContact O-N 2.8Å; N354-T357 PolarHBondContact O-OG1 2.95Å; N354-T357 VanDerWaalsContact O-OG1 3.11Å
358E53Low58.9Low147 Ų147114.2 Ų114.269%0.68761%0.614SS**Hα-helixtrans-75.6-31.5176-73.3-175162.600113.3N354 H360N354-E358 PolarHBondContact O-N 3.17Å; E358-H360 VanDerWaalsContact C-N 3.31Å; E358-H360 PolarHBondContact O-N 3.45Å
359N53.6Low56.5Low126 Ų126120.7 Ų120.767%0.67464%0.64SS**G310 helixtrans-78.6-6.4-176-77.2-34.7000115.1T355 L361T355-N359 WeakPolarHBondContact O-CB 3.42Å; T355-N359 PolarHBondContact O-N 2.94Å; T355-N359 PolarHBondContact O-ND2 3.34Å; T355-N359 VanDerWaalsContact O-ND2 3.07Å; N359-L361 VanDerWaalsContact C-N 3.32Å; N359-L361 PolarHBondContact O-N 3.28Å
360H52.1Low54.2Low167 Ų167121.2 Ų121.277%0.77365%0.654SS**G310 helixtrans-86.56.5175.8-88.5-59.6000114.9V356 E358V356-H360 PolarHBondContact O-CD2 3.1Å; E358-H360 VanDerWaalsContact C-N 3.31Å; E358-H360 PolarHBondContact O-N 3.45Å
361L47.3Very low52Low153 Ų153126.4 Ų126.480%0.80168%0.678SS**G310 helixtrans-113.75.9-178.6-97.9141.7000115.9N359N359-L361 VanDerWaalsContact C-N 3.32Å; N359-L361 PolarHBondContact O-N 3.28Å
362I47.8Very low49.9Very low140 Ų140131.8 Ų131.872%0.71870%0.702SS**  trans-135.5112.4-176.9-54.4177.2000111.5
363K41.7Very low47.8Very low198 Ų198133.8 Ų133.886%0.86171%0.711SS**PPolyproline II helixtrans-71.6132.4165.5-83.2-180174.9177.20109.4
364P41.9Very low45.9Very low121 Ų121137.7 Ų137.779%0.78673%0.731SS**PPolyproline II helixtrans-88144-176.733.7-31.8000111.8
365P40Very low44.3Very low126 Ų126141.6 Ų141.682%0.81875%0.752SS**PPolyproline II helixtrans-99.1145.2154.628.7-16.2000111.4
366Q39.7Very low43Very low189 Ų189142.4 Ų142.488%0.88377%0.766SS**PPolyproline II helixtrans-68.3136.3-176.3-62.5164.9-28.300112.7
367S43.9Very low42Very low112 Ų112143.3 Ų143.378%0.78378%0.776SS**  170.1122.4126.843.80000114
368S39.2Very low41.5Very low96 Ų96144.4 Ų144.467%0.67178%0.777SS**  trans20.9134.9143.1560000124.6
369Q39Very low40.9Very low179 Ų179144.2 Ų144.284%0.83678%0.781SS**  trans75.8124.5147.4-67.3170.815.700115
370T39Very low40.6Very low139 Ų139145 Ų14585%0.85378%0.781SS**  cis-165.2159.745.3-0.60000110.5
371K34.3Very low40.1Very low192 Ų192144.5 Ų144.584%0.83578%0.783SS**  trans-62.2141.9175.8-63.6168.7173.6177.20112.4
372E34.8Very low40.4Very low173 Ų173139.2 Ų139.281%0.80876%0.759SS**  157.9142.6128.1-85.8172.6-178.600113.4
373H36.7Very low40.9Very low167 Ų167139.6 Ų139.677%0.77376%0.763SS**  trans74.688.4170.9-63.8-68.6000120.2N375H373-N375 PolarHBondContact O-N 2.71Å
374V33.2Very low42.7Very low145 Ų145131.6 Ų131.688%0.87973%0.73SS**  trans-84.287.6159.5-176.90000108.8
375N35.7Very low45.2Very low144 Ų144127.9 Ų127.977%0.7771%0.707SS**  trans-95.3110.5152.7-87.3-16.3000106.3H373 S377H373-N375 PolarHBondContact O-N 2.71Å; N375-S377 VanDerWaalsContact C-N 3.3Å; N375-S377 PolarHBondContact O-N 2.65Å
376A35.6Very low47.9Very low89 Ų89122.4 Ų122.474%0.73667%0.67SS**  trans-69.388.2175.800000109.5I378A376-I378 PolarHBondContact O-N 2.8Å
377S38.3Very low50.7Low108 Ų108113.6 Ų113.676%0.75563%0.63SS**  trans-70103.5162.853.20000108.1N375 N379N375-S377 VanDerWaalsContact C-N 3.3Å; N375-S377 PolarHBondContact O-N 2.65Å; S377-N379 PolarHBondContact O-N 3.29Å
378I45.8Very low53.3Low122 Ų122108.3 Ų108.363%0.62659%0.592SS**  trans-64.4120.4170.6-62.2171.3000107A376 H380A376-I378 PolarHBondContact O-N 2.8Å; I378-H380 PolarHBondContact O-CD2 3.25Å; I378-H380 VanDerWaalsContact O-CD2 3.27Å; I378-H380 PolarHBondContact O-N 2.99Å
379N39.7Very low56.1Low143 Ų143103.7 Ų103.777%0.76556%0.56SS**  trans-62.6106.2177.7-112.7-13.8000109.6S377 N381S377-N379 PolarHBondContact O-N 3.29Å; N379-N381 PolarHBondContact O-N 3.45Å
380H46.4Very low59Low143 Ų14395.2 Ų95.266%0.66252%0.52SS*.SBendtrans-77.434.2-171.5-81.1-67000115.4I378 Q410I378-H380 PolarHBondContact O-CD2 3.25Å; I378-H380 VanDerWaalsContact O-CD2 3.27Å; I378-H380 PolarHBondContact O-N 2.99Å; H380-Q410 PolarHBondContact CE1-OE1 2.98Å
381N43.2Very low61.8Low156 Ų15688.6 Ų88.683%0.83448%0.48SS*.  trans-134.726.6-172.4-1141.9000116N379 N383N379-N381 PolarHBondContact O-N 3.45Å; N381-N383 PolarHBondContact O-N 3.15Å
382S52.5Low64.9Low42 Ų4280.5 Ų80.529%0.29445%0.451SS..  trans-76.793.5170.167.50000110.2T384S382-T384 PolarHBondContact O-N 3.12Å
383N58.6Low67.9Low147 Ų14772.4 Ų72.479%0.78641%0.414SS*.  trans-7318.3179.8-142.610.6000113.4N381 C385N381-N383 PolarHBondContact O-N 3.15Å; N383-C385 PolarHBondContact O-N 3.23Å
384T80.2Confident70.8Confident30 Ų3064.7 Ų64.718%0.18438%0.38CS..  trans-86.2112.9-176.339.70000111.5Y350 S382Y350-T384 HydrophobicContact CD1-CG2 4.16Å; Y350-T384 HydrophobicContact CD2-CG2 4.23Å; Y350-T384 HydrophobicContact CE1-CG2 3.47Å; Y350-T384 VanDerWaalsContact CE1-CG2 3.47Å; Y350-T384 HydrophobicContact CE2-CG2 3.59Å; Y350-T384 VanDerWaalsContact OH-CG2 3.31Å; Y350-T384 WeakPolarHBondContact OH-CG2 3.29Å; S382-T384 PolarHBondContact O-N 3.12Å
385C93.4Very high73.9Confident43 Ų4359.9 Ų59.929%0.29135%0.346SS..  trans-75.1123172.1-168.20000109.7N383 K412N383-C385 PolarHBondContact O-N 3.23Å; C385-K412 CarbonylContact C-O 3.55Å; C385-K412 WeakPolarHBondContact CA-O 3.41Å; C385-K412 HydrophobicContact CB-CD 4.29Å; C385-K412 HydrophobicContact CB-CG 4.32Å
386Q97Very high76.9Confident12 Ų1253 Ų536%0.05631%0.309CS..EExtended strand (participates in β ladder)trans-86.9138.2171.4-61.1-63.8-61.500110.1L343 C411 K412 V413 R414 D458L343-Q386 HydrophobicContact CD2-CB 4.12Å; L343-Q386 HydrophobicContact CD2-CG 4.21Å; Q386-C411 VanDerWaalsContact CG-SG 3.56Å; Q386-K412 PolarHBondContact N-O 2.85Å; Q386-V413 HydrophobicContact CB-CG1 4.39Å; Q386-V413 CarbonylContact O-C 3.47Å; Q386-V413 VanDerWaalsContact O-CA 3.27Å; Q386-V413 WeakPolarHBondContact O-CA 3.48Å; Q386-R414 PolarHBondContact O-N 3.33Å; Q386-D458 HydrophobicContact CB-CB 4.45Å; Q386-D458 VanDerWaalsContact OE1-CG 3.29Å; Q386-D458 PolarHBondContact OE1-OD1 3.34Å
387V98.3Very high79.9Confident4 Ų450 Ų502%0.02428%0.282CS..EExtended strand (participates in β ladder)trans-96.3115.1177-177.90000109.5M389 R414 Y416 E455 A457 D458 I459V387-M389 HydrophobicContact CG1-CE 4.32Å; V387-R414 WeakPolarHBondContact CA-O 3.08Å; V387-Y416 HydrophobicContact CG1-CD2 3.78Å; V387-Y416 HydrophobicContact CG1-CE2 3.74Å; V387-E455 HydrophobicContact CG1-CG 4.02Å; V387-E455 HydrophobicContact CG2-CG 3.95Å; V387-E455 WeakPolarHBondContact CG2-OE2 3.29Å; V387-A457 HydrophobicContact CG1-CB 4.45Å; V387-D458 PolarHBondContact N-OD2 2.92Å; V387-D458 WeakPolarHBondContact O-CB 3.16Å; V387-D458 PolarHBondContact O-N 3.01Å; V387-I459 PolarHBondContact O-N 3Å; V387-I459 VanDerWaalsContact O-N 3.16Å
388V98.7Very high82.7Confident0 Ų045.3 Ų45.30%025%0.248CC..EExtended strand (participates in β ladder)trans-110.1123.2177.4-172.40000109.6L343 T402 V413 R414 I415 Y416 I459 V461L343-V388 HydrophobicContact CD2-CG2 4.47Å; V388-T402 HydrophobicContact CB-CG2 3.95Å; V388-T402 HydrophobicContact CG1-CG2 3.66Å; V388-T402 HydrophobicContact CG2-CG2 4.16Å; V388-V413 HydrophobicContact CG2-CB 4.47Å; V388-V413 HydrophobicContact CG2-CG1 4.27Å; V388-R414 PolarHBondContact N-O 3.32Å; V388-I415 CarbonylContact O-C 3.4Å; V388-I415 VanDerWaalsContact O-CA 3.3Å; V388-I415 WeakPolarHBondContact O-CA 3.23Å; V388-Y416 PolarHBondContact O-N 3.46Å; V388-I459 CarbonylContact C-O 3.55Å; V388-I459 WeakPolarHBondContact CA-O 3.49Å; V388-I459 HydrophobicContact CG1-CB 4.34Å; V388-I459 HydrophobicContact CG2-CB 4.35Å; V388-V461 HydrophobicContact CG1-CG2 3.71Å
389M98.8Very high85.3Confident0 Ų039.5 Ų39.50%022%0.218CC..EExtended strand (participates in β ladder)trans-105117.7173.6-71.8174.4-167.900110.1V387 L391 Y416 T453 E455 A457 I459 F460 V461 M484V387-M389 HydrophobicContact CG1-CE 4.32Å; M389-L391 HydrophobicContact CB-CD2 4.04Å; M389-L391 HydrophobicContact CB-CG 4.47Å; M389-L391 PolarHBondContact O-N 3.25Å; M389-Y416 CarbonylContact C-O 3.55Å; M389-Y416 WeakPolarHBondContact CA-O 3.5Å; M389-Y416 HydrophobicContact CE-CD2 4.27Å; M389-Y416 HydrophobicContact CG-CD2 4.25Å; M389-Y416 HydrophobicContact CG-CG 4.49Å; M389-T453 HydrophobicContact CE-CG2 3.57Å; M389-T453 HydrophobicContact SD-CG2 3.92Å; M389-E455 WeakPolarHBondContact CE-O 3.32Å; M389-A457 HydrophobicContact CB-CB 4.14Å; M389-A457 HydrophobicContact CE-CB 3.89Å; M389-A457 HydrophobicContact CG-CB 3.76Å; M389-A457 HydrophobicContact SD-CB 3.63Å; M389-I459 PolarHBondContact N-O 3.08Å; M389-F460 HydrophobicContact CB-CD1 3.9Å; M389-F460 HydrophobicContact CB-CE1 4.13Å; M389-F460 HydrophobicContact CG-CE1 4.47Å; M389-F460 WeakPolarHBondContact O-CA 3.46Å; M389-F460 HydrophobicContact SD-CD1 4.4Å; M389-F460 HydrophobicContact SD-CE1 3.72Å; M389-V461 PolarHBondContact O-N 3.28Å; M389-M484 HydrophobicContact SD-CB 4.16Å
390V98.8Very high88.1Confident0 Ų034.7 Ų34.70%019%0.193CC..EExtended strand (participates in β ladder)trans-89.5102.1172.5-176.20000108.2A393 L398 V399 I415 Y416 V418 V461V390-A393 HydrophobicContact CB-CB 4.49Å; V390-A393 HydrophobicContact CG1-CB 4Å; V390-L398 HydrophobicContact CG1-CB 3.7Å; V390-L398 HydrophobicContact CG1-CD1 4.44Å; V390-V399 HydrophobicContact CB-CG2 4.24Å; V390-V399 HydrophobicContact CG1-CG2 4.27Å; V390-V399 HydrophobicContact CG2-CG2 4.14Å; V390-I415 HydrophobicContact CG2-CG2 4.06Å; V390-Y416 PolarHBondContact N-O 2.94Å; V390-V418 PolarHBondContact O-N 2.87Å; V390-V461 CarbonylContact C-O 3.46Å; V390-V461 VanDerWaalsContact CA-O 3.26Å; V390-V461 WeakPolarHBondContact CA-O 3.42Å; V390-V461 HydrophobicContact CG2-CB 4.4Å
391L98.7Very high90.5Very high0 Ų028 Ų280%016%0.163CC..EExtended strand (participates in β ladder)trans-91.4110.7-173.9-57-179.3000110.9M389 V418 M448 F460 V461 S462 L478 A481 M484M389-L391 HydrophobicContact CB-CD2 4.04Å; M389-L391 HydrophobicContact CB-CG 4.47Å; M389-L391 PolarHBondContact O-N 3.25Å; L391-V418 HydrophobicContact CD2-CB 4Å; L391-V418 HydrophobicContact CD2-CG1 4.41Å; L391-V418 HydrophobicContact CD2-CG2 3.76Å; L391-M448 HydrophobicContact CB-CE 3.81Å; L391-M448 HydrophobicContact CB-SD 3.87Å; L391-M448 HydrophobicContact CD1-SD 4.19Å; L391-M448 HydrophobicContact CD2-CB 4.35Å; L391-F460 HydrophobicContact CD1-CB 4.17Å; L391-F460 HydrophobicContact CD1-CD1 4Å; L391-F460 HydrophobicContact CD1-CD2 3.62Å; L391-F460 HydrophobicContact CD1-CE1 4.21Å; L391-F460 HydrophobicContact CD1-CE2 3.87Å; L391-F460 HydrophobicContact CD1-CG 3.68Å; L391-F460 HydrophobicContact CD1-CZ 4.16Å; L391-F460 HydrophobicContact CG-CD1 4.47Å; L391-F460 HydrophobicContact CG-CG 4.46Å; L391-V461 PolarHBondContact N-O 3.33Å; L391-S462 WeakPolarHBondContact O-CB 3.28Å; L391-L478 HydrophobicContact CD1-CD2 3.82Å; L391-A481 HydrophobicContact CD1-CB 3.78Å; L391-M484 HydrophobicContact CD2-CE 4.33Å
392G98.3Very high93.2Very high22 Ų2220.6 Ų20.623%0.22712%0.123CC..THydrogen-bonded Turntrans8256.1-169.500000111.2G394 V418G392-G394 PolarHBondContact O-N 2.97Å; G392-V418 WeakPolarHBondContact CA-O 3.45Å; G392-V418 PolarHBondContact N-O 2.59Å
393A98.3Very high95.4Very high4 Ų419.3 Ų19.33%0.03311%0.113CC..  trans-66.9-17.5-170.200000114.8V390 R395 G396 V399 A417 V418 E419 L428V390-A393 HydrophobicContact CB-CB 4.49Å; V390-A393 HydrophobicContact CG1-CB 4Å; A393-R395 PolarHBondContact O-N 3.29Å; A393-G396 WeakPolarHBondContact O-CA 3.36Å; A393-G396 PolarHBondContact O-N 3Å; A393-V399 HydrophobicContact CB-CG2 4.33Å; A393-A417 HydrophobicContact CB-CB 3.95Å; A393-V418 PolarHBondContact N-O 3.44Å; A393-E419 PolarHBondContact N-OE2 3.34Å; A393-L428 HydrophobicContact CB-CD1 3.96Å; A393-L428 HydrophobicContact CB-CD2 4.29Å
394G98Very high97.3Very high5 Ų515.7 Ų15.75%0.0529%0.093CC..THydrogen-bonded Turntrans55.2-128.2-177.900000111.2G392 G396 E419 L428G392-G394 PolarHBondContact O-N 2.97Å; G394-G396 VanDerWaalsContact C-N 3.3Å; G394-E419 VanDerWaalsContact CA-OE2 3.29Å; G394-E419 WeakPolarHBondContact CA-OE2 3.15Å; G394-E419 PolarHBondContact N-OE2 2.69Å; G394-L428 WeakPolarHBondContact O-CD1 3.42Å; G394-L428 WeakPolarHBondContact O-CG 3.22Å
395R98Very high98.1Very high43 Ų4314.3 Ų14.316%0.1629%0.085CC..THydrogen-bonded Turntrans-86.74.9174.2-58.4-163.9-57.7175.83.2113.9S319 Y322 E326 A393 T427 R431S319-R395 PolarHBondContact OG-NH1 2.88Å; Y322-R395 HydrophobicContact CD1-CG 4.49Å; Y322-R395 HydrophobicContact CD2-CG 4.11Å; Y322-R395 HydrophobicContact CG-CG 3.93Å; E326-R395 WeakPolarHBondContact OE1-CB 3.4Å; E326-R395 IonicContact OE1-CZ 3.93Å; E326-R395 IonicContact OE1-NE 3.6Å; E326-R395 PolarHBondContact OE1-NE 3.1Å; E326-R395 IonicContact OE1-NH2 2.93Å; E326-R395 PolarHBondContact OE1-NH2 2.83Å; E326-R395 VanDerWaalsContact OE1-NH2 3.16Å; E326-R395 IonicContact OE2-CZ 3.2Å; E326-R395 IonicContact OE2-NE 3.24Å; E326-R395 IonicContact OE2-NH2 2.73Å; E326-R395 PolarHBondContact OE2-NH2 3.32Å; A393-R395 PolarHBondContact O-N 3.29Å; R395-T427 HydrophobicContact CB-CG2 3.98Å; R395-T427 HydrophobicContact CG-CG2 4.27Å; R395-R431 WeakPolarHBondContact O-CD 3.33Å; R395-R431 PolarHBondContact O-NH1 3.16Å
396G98.1Very high98.4Very high0 Ų012.5 Ų12.50%07%0.073CC..SBendtrans97.714.4174.600000119.4A393 G394 L398 V399 N400A393-G396 WeakPolarHBondContact O-CA 3.36Å; A393-G396 PolarHBondContact O-N 3Å; G394-G396 VanDerWaalsContact C-N 3.3Å; G396-L398 VanDerWaalsContact C-N 3.32Å; G396-L398 PolarHBondContact O-N 2.81Å; G396-V399 WeakPolarHBondContact O-CB 3.48Å; G396-V399 PolarHBondContact O-N 2.83Å; G396-V399 VanDerWaalsContact O-N 3.11Å; G396-N400 PolarHBondContact O-N 3.37Å; G396-N400 VanDerWaalsContact O-N 3.11Å
397P98.2Very high98.4Very high27 Ų2718.1 Ų18.118%0.17510%0.099CC..Hα-helixtrans-64.4-34.2179.727.8-35.1000113.1E326 Y332 V399 N400 A401E326-P397 HydrophobicContact CG-CB 4.38Å; E326-P397 HydrophobicContact CG-CG 4.1Å; Y332-P397 HydrophobicContact CD1-CB 3.81Å; Y332-P397 HydrophobicContact CD1-CG 4.22Å; Y332-P397 HydrophobicContact CE1-CB 3.5Å; Y332-P397 HydrophobicContact CE1-CG 3.44Å; Y332-P397 VanDerWaalsContact CE1-CG 3.44Å; Y332-P397 HydrophobicContact CE2-CB 4.45Å; Y332-P397 HydrophobicContact CG-CB 4.39Å; P397-V399 VanDerWaalsContact C-N 3.32Å; P397-N400 WeakPolarHBondContact O-CB 3.35Å; P397-N400 PolarHBondContact O-N 2.92Å; P397-A401 PolarHBondContact O-N 3.42Å
398L98.6Very high98.3Very high8 Ų822.8 Ų22.84%0.04212%0.116CC..Hα-helixtrans-73.2-23.7173.5-71.9177.1000113.4Y332 Y335 V390 G396 T402 V461 E463Y332-L398 HydrophobicContact CD1-CD2 4.09Å; Y332-L398 HydrophobicContact CD1-CG 4.46Å; Y332-L398 HydrophobicContact CE1-CG 4.46Å; Y335-L398 HydrophobicContact CD1-CD2 3.78Å; Y335-L398 HydrophobicContact CD2-CD2 3.91Å; Y335-L398 HydrophobicContact CE1-CD2 4.48Å; Y335-L398 HydrophobicContact CG-CD2 3.47Å; Y335-L398 VanDerWaalsContact CG-CD2 3.47Å; V390-L398 HydrophobicContact CG1-CB 3.7Å; V390-L398 HydrophobicContact CG1-CD1 4.44Å; G396-L398 VanDerWaalsContact C-N 3.32Å; G396-L398 PolarHBondContact O-N 2.81Å; L398-T402 WeakPolarHBondContact O-CB 3.5Å; L398-T402 PolarHBondContact O-N 2.98Å; L398-T402 PolarHBondContact O-OG1 2.95Å; L398-V461 HydrophobicContact CB-CG1 4.43Å; L398-V461 HydrophobicContact CD1-CG1 4.19Å; L398-V461 HydrophobicContact CD2-CG1 4.31Å; L398-E463 HydrophobicContact CD1-CB 3.76Å
399V98.7Very high98.2Very high0 Ų023.5 Ų23.50%012%0.122CC..Hα-helixtrans-66.7-45.7169.9179.10000108.9V390 A393 G396 P397 T402 I403 I415 A417 W436 V441V390-V399 HydrophobicContact CB-CG2 4.24Å; V390-V399 HydrophobicContact CG1-CG2 4.27Å; V390-V399 HydrophobicContact CG2-CG2 4.14Å; A393-V399 HydrophobicContact CB-CG2 4.33Å; G396-V399 WeakPolarHBondContact O-CB 3.48Å; G396-V399 PolarHBondContact O-N 2.83Å; G396-V399 VanDerWaalsContact O-N 3.11Å; P397-V399 VanDerWaalsContact C-N 3.32Å; V399-T402 WeakPolarHBondContact O-CB 3.37Å; V399-T402 PolarHBondContact O-N 3.5Å; V399-T402 VanDerWaalsContact O-N 3.15Å; V399-I403 HydrophobicContact CG1-CD1 4.06Å; V399-I403 WeakPolarHBondContact O-CG1 3.4Å; V399-I403 PolarHBondContact O-N 3.33Å; V399-I415 HydrophobicContact CG1-CG2 4.26Å; V399-A417 HydrophobicContact CG2-CB 3.9Å; V399-W436 HydrophobicContact CB-CH2 3.64Å; V399-W436 HydrophobicContact CB-CZ2 3.74Å; V399-W436 HydrophobicContact CB-CZ3 4.33Å; V399-W436 HydrophobicContact CG1-CD2 4.15Å; V399-W436 HydrophobicContact CG1-CE3 4.08Å; V399-W436 HydrophobicContact CG1-CH2 3.54Å; V399-W436 HydrophobicContact CG1-CZ2 3.59Å; V399-W436 HydrophobicContact CG1-CZ3 3.79Å; V399-W436 HydrophobicContact CG2-CH2 4.04Å; V399-V441 HydrophobicContact CG1-CG1 3.98Å
400N98.4Very high98Very high42 Ų4230.5 Ų30.523%0.22516%0.155CC..Hα-helixtrans-59.8-47.1173.1-79.915.9000112.7G396 P397 T402 I403 N404 R431 E435 W436G396-N400 PolarHBondContact O-N 3.37Å; G396-N400 VanDerWaalsContact O-N 3.11Å; P397-N400 WeakPolarHBondContact O-CB 3.35Å; P397-N400 PolarHBondContact O-N 2.92Å; N400-T402 PolarHBondContact O-N 3.33Å; N400-I403 PolarHBondContact O-N 2.84Å; N400-I403 VanDerWaalsContact O-N 3.16Å; N400-N404 VanDerWaalsContact O-CG 3.25Å; N400-N404 PolarHBondContact O-N 3.45Å; N400-N404 PolarHBondContact O-OD1 3.41Å; N400-R431 VanDerWaalsContact CG-NH2 3.26Å; N400-R431 PolarHBondContact ND2-NH2 3.46Å; N400-R431 PolarHBondContact OD1-NH2 3.45Å; N400-R431 VanDerWaalsContact OD1-NH2 3.17Å; N400-E435 PolarHBondContact ND2-OE1 2.79Å; N400-E435 PolarHBondContact OD1-OE1 3.3Å; N400-W436 WeakPolarHBondContact OD1-CZ2 3.29Å; N400-W436 PolarHBondContact OD1-NE1 2.98Å
401A98.5Very high97.8Very high4 Ų431 Ų313%0.03316%0.158CC..Hα-helixtrans-57.3-37.9175.300000111.8E336 I339 P397 A405E336-A401 HydrophobicContact CB-CB 4.03Å; I339-A401 HydrophobicContact CD1-CB 4.35Å; P397-A401 PolarHBondContact O-N 3.42Å; A401-A405 WeakPolarHBondContact O-CB 3.39Å; A401-A405 PolarHBondContact O-N 2.86Å
402T98.8Very high97.7Very high0 Ų037.1 Ų37.10%019%0.185CC..Hα-helixtrans-65.8-45.5176-54.80000111.9I339 V388 L398 V399 N400 A405 A406 I415I339-T402 HydrophobicContact CG2-CG2 4.39Å; V388-T402 HydrophobicContact CB-CG2 3.95Å; V388-T402 HydrophobicContact CG1-CG2 3.66Å; V388-T402 HydrophobicContact CG2-CG2 4.16Å; L398-T402 WeakPolarHBondContact O-CB 3.5Å; L398-T402 PolarHBondContact O-N 2.98Å; L398-T402 PolarHBondContact O-OG1 2.95Å; V399-T402 WeakPolarHBondContact O-CB 3.37Å; V399-T402 PolarHBondContact O-N 3.5Å; V399-T402 VanDerWaalsContact O-N 3.15Å; N400-T402 PolarHBondContact O-N 3.33Å; T402-A405 PolarHBondContact O-N 2.67Å; T402-A406 WeakPolarHBondContact O-CB 3.3Å; T402-A406 PolarHBondContact O-N 3.04Å; T402-I415 HydrophobicContact CG2-CD1 3.63Å; T402-I415 HydrophobicContact CG2-CG1 3.88Å
403I98.5Very high97.6Very high15 Ų1537.2 Ų37.28%0.07718%0.181CC..Hα-helixtrans-59.5-52.2177.8-67.3162.6000110V399 N400 A405 A406 E407 I415 W436 L439 V441V399-I403 HydrophobicContact CG1-CD1 4.06Å; V399-I403 WeakPolarHBondContact O-CG1 3.4Å; V399-I403 PolarHBondContact O-N 3.33Å; N400-I403 PolarHBondContact O-N 2.84Å; N400-I403 VanDerWaalsContact O-N 3.16Å; I403-A405 VanDerWaalsContact C-N 3.33Å; I403-A405 PolarHBondContact O-N 3.01Å; I403-A406 WeakPolarHBondContact O-CB 3.36Å; I403-A406 PolarHBondContact O-N 3.42Å; I403-A406 VanDerWaalsContact O-N 3.15Å; I403-E407 WeakPolarHBondContact O-CG 3.43Å; I403-E407 PolarHBondContact O-N 3.25Å; I403-I415 HydrophobicContact CG1-CD1 3.54Å; I403-W436 HydrophobicContact CD1-CD2 4.41Å; I403-W436 HydrophobicContact CD1-CG 4.03Å; I403-L439 HydrophobicContact CD1-CD1 3.73Å; I403-L439 HydrophobicContact CG1-CD1 4.12Å; I403-L439 HydrophobicContact CG2-CD1 3.91Å; I403-V441 HydrophobicContact CD1-CG2 4.32Å
404N98.4Very high97.6Very high71 Ų7140.5 Ų40.538%0.3819%0.192SC..Hα-helixtrans-59.2-43.6179.3-65.3-9000112.1E336 N400 A406 E407 R408E336-N404 HydrophobicContact CG-CB 4.12Å; E336-N404 WeakPolarHBondContact OE2-CB 3.32Å; E336-N404 PolarHBondContact OE2-ND2 3.5Å; N400-N404 VanDerWaalsContact O-CG 3.25Å; N400-N404 PolarHBondContact O-N 3.45Å; N400-N404 PolarHBondContact O-OD1 3.41Å; N404-A406 VanDerWaalsContact C-N 3.34Å; N404-A406 PolarHBondContact O-N 3.4Å; N404-E407 PolarHBondContact O-N 3.09Å; N404-R408 VanDerWaalsContact O-CB 3.32Å; N404-R408 WeakPolarHBondContact O-CB 3.18Å; N404-R408 PolarHBondContact O-N 3.22Å
405A98.6Very high97.7Very high0 Ų040.4 Ų40.40%019%0.191CC..Hα-helixtrans-63.2-39.9177.500000112.3E336 I339 L343 A401 T402 I403 R408 A409E336-A405 HydrophobicContact CG-CB 4.04Å; E336-A405 WeakPolarHBondContact O-CB 3.23Å; I339-A405 HydrophobicContact CB-CB 3.81Å; I339-A405 HydrophobicContact CG2-CB 3.62Å; L343-A405 HydrophobicContact CD1-CB 4.48Å; A401-A405 WeakPolarHBondContact O-CB 3.39Å; A401-A405 PolarHBondContact O-N 2.86Å; T402-A405 PolarHBondContact O-N 2.67Å; I403-A405 VanDerWaalsContact C-N 3.33Å; I403-A405 PolarHBondContact O-N 3.01Å; A405-R408 PolarHBondContact O-N 2.67Å; A405-A409 VanDerWaalsContact O-CB 3.26Å; A405-A409 WeakPolarHBondContact O-CB 3.48Å; A405-A409 PolarHBondContact O-N 3.12Å
406A97.9Very high97.7Very high6 Ų638.5 Ų38.55%0.0518%0.184CC..Hα-helixtrans-67.6-43.7177.700000112.5L343 T402 I403 N404 A409 Q410 C411 V413L343-A406 HydrophobicContact CD1-CB 4.1Å; T402-A406 WeakPolarHBondContact O-CB 3.3Å; T402-A406 PolarHBondContact O-N 3.04Å; I403-A406 WeakPolarHBondContact O-CB 3.36Å; I403-A406 PolarHBondContact O-N 3.42Å; I403-A406 VanDerWaalsContact O-N 3.15Å; N404-A406 VanDerWaalsContact C-N 3.34Å; N404-A406 PolarHBondContact O-N 3.4Å; A406-A409 CarbonylContact O-C 3.45Å; A406-A409 PolarHBondContact O-N 3.34Å; A406-Q410 PolarHBondContact O-N 2.92Å; A406-C411 PolarHBondContact O-N 2.91Å; A406-V413 HydrophobicContact CB-CB 4.16Å; A406-V413 HydrophobicContact CB-CG1 3.59Å; A406-V413 HydrophobicContact CB-CG2 3.42Å; A406-V413 VanDerWaalsContact CB-CG2 3.42Å
407E97Very high97.7Very high130 Ų13038.5 Ų38.561%0.60718%0.184SC*.Hα-helixtrans-59.1-46.9172.9-71.9-178.2175.700111.1I403 N404 A409 Q410I403-E407 WeakPolarHBondContact O-CG 3.43Å; I403-E407 PolarHBondContact O-N 3.25Å; N404-E407 PolarHBondContact O-N 3.09Å; E407-A409 VanDerWaalsContact C-N 3.34Å; E407-A409 PolarHBondContact O-N 3.42Å; E407-Q410 PolarHBondContact O-N 2.97Å; E407-Q410 VanDerWaalsContact O-N 3.09Å
408R97.5Very high97.7Very high101 Ų10137.3 Ų37.338%0.38118%0.176SC..Hα-helixtrans-63.3-37.9177.8-167.6174.178.5-164.815.5112.7E336 Y340 N404 A405 Q410E336-R408 IonicContact OE1-NH1 2.69Å; E336-R408 PolarHBondContact OE1-NH1 3.27Å; Y340-R408 HydrophobicContact CD2-CB 3.9Å; Y340-R408 HydrophobicContact CD2-CG 3.8Å; Y340-R408 HydrophobicContact CE2-CB 4.16Å; Y340-R408 HydrophobicContact CE2-CG 3.69Å; N404-R408 VanDerWaalsContact O-CB 3.32Å; N404-R408 WeakPolarHBondContact O-CB 3.18Å; N404-R408 PolarHBondContact O-N 3.22Å; A405-R408 PolarHBondContact O-N 2.67Å; R408-Q410 VanDerWaalsContact C-N 3.26Å
409A96.2Very high97.7Very high15 Ų1537.4 Ų37.412%0.12418%0.176CC..Hα-helixtrans-79-7.5176.400000113.4Y340 L343 A405 A406 E407 C411Y340-A409 HydrophobicContact CD2-CB 3.82Å; Y340-A409 HydrophobicContact CE2-CB 4.09Å; L343-A409 HydrophobicContact CB-CB 4.01Å; L343-A409 HydrophobicContact CD1-CB 4.37Å; A405-A409 VanDerWaalsContact O-CB 3.26Å; A405-A409 WeakPolarHBondContact O-CB 3.48Å; A405-A409 PolarHBondContact O-N 3.12Å; A406-A409 CarbonylContact O-C 3.45Å; A406-A409 PolarHBondContact O-N 3.34Å; E407-A409 VanDerWaalsContact C-N 3.34Å; E407-A409 PolarHBondContact O-N 3.42Å; A409-C411 HydrophobicContact CB-CB 4.04Å; A409-C411 PolarHBondContact O-N 3.4Å
410Q94.9Very high97.7Very high148 Ų14840 Ų4069%0.69219%0.188SC*.THydrogen-bonded Turntrans50.537.8-169.1-58-174.5-3800112.3H380 A406 E407 R408H380-Q410 PolarHBondContact CE1-OE1 2.98Å; A406-Q410 PolarHBondContact O-N 2.92Å; E407-Q410 PolarHBondContact O-N 2.97Å; E407-Q410 VanDerWaalsContact O-N 3.09Å; R408-Q410 VanDerWaalsContact C-N 3.26Å
411C94.3Very high97.7Very high9 Ų938.1 Ų38.16%0.06118%0.177CC..  trans-104.1126.9-176.9-169.20000109.6L343 L347 Q386 A406 A409 V413L343-C411 HydrophobicContact CB-CB 4.43Å; L343-C411 HydrophobicContact CD1-CB 4.46Å; L343-C411 HydrophobicContact CD2-CB 4.48Å; L347-C411 HydrophobicContact CD1-CB 3.81Å; Q386-C411 VanDerWaalsContact CG-SG 3.56Å; A406-C411 PolarHBondContact O-N 2.91Å; A409-C411 HydrophobicContact CB-CB 4.04Å; A409-C411 PolarHBondContact O-N 3.4Å; C411-V413 PolarHBondContact O-N 2.77Å
412K95.9Very high97.6Very high130 Ų13041.2 Ų41.257%0.56520%0.197SC*.  trans-70.1122.8171-173.5177.4180177.60108.9C385 Q386C385-K412 CarbonylContact C-O 3.55Å; C385-K412 WeakPolarHBondContact CA-O 3.41Å; C385-K412 HydrophobicContact CB-CD 4.29Å; C385-K412 HydrophobicContact CB-CG 4.32Å; Q386-K412 PolarHBondContact N-O 2.85Å
413V97.6Very high97.6Very high24 Ų2446.2 Ų46.215%0.14522%0.224CC..EExtended strand (participates in β ladder)trans-122.1147.3178.9-62.20000111.6L343 Q386 V388 A406 C411 I415L343-V413 HydrophobicContact CD1-CG1 4.26Å; L343-V413 HydrophobicContact CD2-CG1 3.96Å; Q386-V413 HydrophobicContact CB-CG1 4.39Å; Q386-V413 CarbonylContact O-C 3.47Å; Q386-V413 VanDerWaalsContact O-CA 3.27Å; Q386-V413 WeakPolarHBondContact O-CA 3.48Å; V388-V413 HydrophobicContact CG2-CB 4.47Å; V388-V413 HydrophobicContact CG2-CG1 4.27Å; A406-V413 HydrophobicContact CB-CB 4.16Å; A406-V413 HydrophobicContact CB-CG1 3.59Å; A406-V413 HydrophobicContact CB-CG2 3.42Å; A406-V413 VanDerWaalsContact CB-CG2 3.42Å; C411-V413 PolarHBondContact O-N 2.77Å; V413-I415 HydrophobicContact CB-CG1 4.43Å; V413-I415 HydrophobicContact CG2-CD1 4.03Å; V413-I415 HydrophobicContact CG2-CG1 3.91Å
414R98.2Very high97.5Very high72 Ų7245.6 Ų45.627%0.27222%0.221SC..EExtended strand (participates in β ladder)trans-109.5125.5160.3173.3177.6-65.3158.64.5107.6Q386 V387 V388 Y416 D440 E455Q386-R414 PolarHBondContact O-N 3.33Å; V387-R414 WeakPolarHBondContact CA-O 3.08Å; V388-R414 PolarHBondContact N-O 3.32Å; R414-Y416 HydrophobicContact CG-CD2 4.4Å; R414-Y416 HydrophobicContact CG-CE2 3.91Å; R414-D440 IonicContact CZ-OD2 3.61Å; R414-D440 IonicContact NE-OD1 3.64Å; R414-D440 IonicContact NE-OD2 2.83Å; R414-D440 PolarHBondContact NE-OD2 3.11Å; R414-D440 IonicContact NH2-OD2 3.46Å; R414-D440 PolarHBondContact NH2-OD2 3.46Å; R414-E455 WeakPolarHBondContact CD-OE1 3.35Å; R414-E455 IonicContact CZ-OE1 3.59Å; R414-E455 IonicContact NE-OE1 3.73Å; R414-E455 IonicContact NH1-OE1 2.62Å; R414-E455 PolarHBondContact NH1-OE1 2.84Å; R414-E455 IonicContact NH1-OE2 3.05Å; R414-E455 PolarHBondContact NH1-OE2 3.41Å
415I98.6Very high97.5Very high3 Ų342.7 Ų42.72%0.01521%0.205CC..EExtended strand (participates in β ladder)trans-110124.9-175.1-54173.3000109.2V388 V390 V399 T402 I403 V413 D440 V441 Q442V388-I415 CarbonylContact O-C 3.4Å; V388-I415 VanDerWaalsContact O-CA 3.3Å; V388-I415 WeakPolarHBondContact O-CA 3.23Å; V390-I415 HydrophobicContact CG2-CG2 4.06Å; V399-I415 HydrophobicContact CG1-CG2 4.26Å; T402-I415 HydrophobicContact CG2-CD1 3.63Å; T402-I415 HydrophobicContact CG2-CG1 3.88Å; I403-I415 HydrophobicContact CG1-CD1 3.54Å; V413-I415 HydrophobicContact CB-CG1 4.43Å; V413-I415 HydrophobicContact CG2-CD1 4.03Å; V413-I415 HydrophobicContact CG2-CG1 3.91Å; I415-D440 PolarHBondContact N-O 2.96Å; I415-V441 HydrophobicContact CB-CG1 4.45Å; I415-V441 HydrophobicContact CB-CG2 4.26Å; I415-V441 HydrophobicContact CD1-CG2 4.28Å; I415-V441 CarbonylContact O-C 3.51Å; I415-V441 WeakPolarHBondContact O-CA 3.37Å; I415-Q442 PolarHBondContact O-N 2.93Å
416Y98.6Very high97.5Very high4 Ų446.5 Ų46.52%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-104.7114.5167.6-69-80.8000109.4V387 V388 M389 V390 R414 Q442 I444 P454 E455V387-Y416 HydrophobicContact CG1-CD2 3.78Å; V387-Y416 HydrophobicContact CG1-CE2 3.74Å; V388-Y416 PolarHBondContact O-N 3.46Å; M389-Y416 CarbonylContact C-O 3.55Å; M389-Y416 WeakPolarHBondContact CA-O 3.5Å; M389-Y416 HydrophobicContact CE-CD2 4.27Å; M389-Y416 HydrophobicContact CG-CD2 4.25Å; M389-Y416 HydrophobicContact CG-CG 4.49Å; V390-Y416 PolarHBondContact N-O 2.94Å; R414-Y416 HydrophobicContact CG-CD2 4.4Å; R414-Y416 HydrophobicContact CG-CE2 3.91Å; Y416-Q442 CarbonylContact C-O 3.56Å; Y416-Q442 WeakPolarHBondContact CA-O 3.43Å; Y416-Q442 HydrophobicContact CD1-CB 3.66Å; Y416-Q442 HydrophobicContact CE1-CB 3.79Å; Y416-Q442 HydrophobicContact CE1-CG 4.29Å; Y416-Q442 VanDerWaalsContact CE1-OE1 3.3Å; Y416-I444 HydrophobicContact CD1-CD1 3.51Å; Y416-I444 HydrophobicContact CD1-CG1 3.84Å; Y416-I444 HydrophobicContact CE1-CD1 4.16Å; Y416-I444 HydrophobicContact CG-CD1 3.99Å; Y416-P454 HydrophobicContact CE1-CG 4.17Å; Y416-E455 HydrophobicContact CE2-CG 4.03Å; Y416-E455 VanDerWaalsContact CE2-OE1 3.31Å; Y416-E455 WeakPolarHBondContact CE2-OE1 3.29Å; Y416-E455 PolarHBondContact OH-OE1 3.35Å
417A98.5Very high97.5Very high0 Ų048.7 Ų48.70%024%0.244CC..EExtended strand (participates in β ladder)trans-86.3113.6171.700000109.1A393 V399 Q442 L443 I444A393-A417 HydrophobicContact CB-CB 3.95Å; V399-A417 HydrophobicContact CG2-CB 3.9Å; A417-Q442 PolarHBondContact N-O 2.93Å; A417-L443 HydrophobicContact CB-CD1 4.33Å; A417-I444 PolarHBondContact O-N 2.74Å
418V98.6Very high97.5Very high1 Ų142.5 Ų42.51%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-105.3124.8-179.1-174.90000109.5V390 L391 G392 A393 I444 M448 L451V390-V418 PolarHBondContact O-N 2.87Å; L391-V418 HydrophobicContact CD2-CB 4Å; L391-V418 HydrophobicContact CD2-CG1 4.41Å; L391-V418 HydrophobicContact CD2-CG2 3.76Å; G392-V418 WeakPolarHBondContact CA-O 3.45Å; G392-V418 PolarHBondContact N-O 2.59Å; A393-V418 PolarHBondContact N-O 3.44Å; V418-I444 WeakPolarHBondContact CA-O 3.38Å; V418-I444 HydrophobicContact CG2-CB 4.25Å; V418-M448 HydrophobicContact CG1-CB 4.25Å; V418-L451 HydrophobicContact CG1-CD1 3.33Å
419E98.6Very high97.6Very high11 Ų1142.5 Ų42.55%0.05122%0.215CC..EExtended strand (participates in β ladder)trans-150.6140.3-179176.956-108.400111.8A393 G394 N421 A424 L425 L428 I444 G446A393-E419 PolarHBondContact N-OE2 3.34Å; G394-E419 VanDerWaalsContact CA-OE2 3.29Å; G394-E419 WeakPolarHBondContact CA-OE2 3.15Å; G394-E419 PolarHBondContact N-OE2 2.69Å; E419-N421 HydrophobicContact CG-CB 4.38Å; E419-N421 VanDerWaalsContact OE1-CB 3.28Å; E419-N421 WeakPolarHBondContact OE1-CB 3.44Å; E419-N421 PolarHBondContact OE1-N 2.84Å; E419-A424 HydrophobicContact CG-CB 3.86Å; E419-L425 HydrophobicContact CB-CD2 3.81Å; E419-L425 HydrophobicContact CG-CD2 4.09Å; E419-L428 HydrophobicContact CB-CD1 3.78Å; E419-L428 HydrophobicContact CG-CD1 4.18Å; E419-I444 PolarHBondContact N-O 3.46Å; E419-G446 CarbonylContact C-O 3.59Å; E419-G446 PolarHBondContact O-N 3.38Å
420K97.9Very high97.6Very high55 Ų5544.7 Ų44.724%0.23923%0.23CC..  trans-99.5-26.1-179.670.997.9-175.7173.80113.2P312 L313 D315 N316 P422P312-K420 WeakPolarHBondContact O-CE 3.28Å; P312-K420 PolarHBondContact O-NZ 2.93Å; L313-K420 VanDerWaalsContact O-CE 3.24Å; L313-K420 WeakPolarHBondContact O-CE 3.34Å; L313-K420 PolarHBondContact O-NZ 3.12Å; D315-K420 PolarHBondContact O-NZ 3Å; N316-K420 PolarHBondContact OD1-NZ 2.91Å; K420-P422 VanDerWaalsContact O-CD 3.25Å; K420-P422 WeakPolarHBondContact O-CD 3.33Å
421N98Very high97.8Very high1 Ų139.5 Ų39.51%0.00520%0.204CC..  trans-73.1110.3-178.8-179.4-5.7000110.5N316 L317 Y322 E419 N423 A424 L425N316-N421 WeakPolarHBondContact CB-OD1 3.47Å; L317-N421 PolarHBondContact N-ND2 2.66Å; L317-N421 PolarHBondContact O-ND2 2.89Å; Y322-N421 PolarHBondContact OH-ND2 3.13Å; Y322-N421 VanDerWaalsContact OH-ND2 3.1Å; E419-N421 HydrophobicContact CG-CB 4.38Å; E419-N421 VanDerWaalsContact OE1-CB 3.28Å; E419-N421 WeakPolarHBondContact OE1-CB 3.44Å; E419-N421 PolarHBondContact OE1-N 2.84Å; N421-N423 PolarHBondContact O-N 3.14Å; N421-N423 WeakPolarHBondContact OD1-CB 3.48Å; N421-N423 PolarHBondContact OD1-N 3.15Å; N421-N423 VanDerWaalsContact OD1-N 3.08Å; N421-N423 PolarHBondContact OD1-ND2 3.04Å; N421-A424 HydrophobicContact CB-CB 4.01Å; N421-A424 PolarHBondContact O-N 3.17Å; N421-L425 WeakPolarHBondContact O-CG 3.31Å; N421-L425 PolarHBondContact O-N 2.85Å; N421-L425 VanDerWaalsContact O-N 3.16Å
422P97.6Very high98Very high69 Ų6940.8 Ų40.845%0.44821%0.21SC..Hα-helixtrans-61.5-24.9-175.525.7-35000113.5K420K420-P422 VanDerWaalsContact O-CD 3.25Å; K420-P422 WeakPolarHBondContact O-CD 3.33Å
423N97.9Very high98Very high105 Ų10539.7 Ų39.756%0.56121%0.21SC*.Hα-helixtrans-74.6-38.3177.7-52.5-69.7000111.7N421 L425 C426N421-N423 PolarHBondContact O-N 3.14Å; N421-N423 WeakPolarHBondContact OD1-CB 3.48Å; N421-N423 PolarHBondContact OD1-N 3.15Å; N421-N423 VanDerWaalsContact OD1-N 3.08Å; N421-N423 PolarHBondContact OD1-ND2 3.04Å; N423-L425 VanDerWaalsContact C-N 3.33Å; N423-C426 WeakPolarHBondContact O-CB 3.34Å; N423-C426 PolarHBondContact O-N 2.96Å
424A97.8Very high97.9Very high2 Ų245 Ų452%0.01723%0.233CC..Hα-helixtrans-69.4-33.8176.900000111.4Y322 E419 N421 C426 T427 L428Y322-A424 HydrophobicContact CE2-CB 4.32Å; E419-A424 HydrophobicContact CG-CB 3.86Å; N421-A424 HydrophobicContact CB-CB 4.01Å; N421-A424 PolarHBondContact O-N 3.17Å; A424-C426 VanDerWaalsContact C-N 3.26Å; A424-C426 PolarHBondContact O-N 3.32Å; A424-T427 WeakPolarHBondContact O-CB 3.39Å; A424-T427 PolarHBondContact O-N 3.47Å; A424-L428 PolarHBondContact O-N 3Å
425L97.9Very high97.9Very high10 Ų1046.4 Ų46.45%0.05224%0.242CC..Hα-helixtrans-55.2-38.6173.5-64.6179.7000112.8E419 N421 N423 T427 L428 R429 L443 E445E419-L425 HydrophobicContact CB-CD2 3.81Å; E419-L425 HydrophobicContact CG-CD2 4.09Å; N421-L425 WeakPolarHBondContact O-CG 3.31Å; N421-L425 PolarHBondContact O-N 2.85Å; N421-L425 VanDerWaalsContact O-N 3.16Å; N423-L425 VanDerWaalsContact C-N 3.33Å; L425-T427 VanDerWaalsContact C-N 3.31Å; L425-T427 PolarHBondContact O-N 2.93Å; L425-L428 HydrophobicContact CD2-CD1 4.47Å; L425-L428 PolarHBondContact O-N 3.4Å; L425-R429 WeakPolarHBondContact O-CG 3.45Å; L425-R429 PolarHBondContact O-N 3.25Å; L425-L443 HydrophobicContact CD2-CD1 3.91Å; L425-L443 HydrophobicContact CD2-CD2 4.19Å; L425-L443 HydrophobicContact CD2-CG 4.29Å; L425-E445 HydrophobicContact CD1-CB 3.84Å; L425-E445 HydrophobicContact CD1-CG 3.84Å; L425-E445 HydrophobicContact CD2-CB 4.38Å; L425-E445 HydrophobicContact CD2-CG 4Å
426C97.3Very high97.8Very high80 Ų8046.6 Ų46.654%0.54124%0.243SC..Hα-helixtrans-58.9-43.1175.8-66.70000111.9N423 A424 S430N423-C426 WeakPolarHBondContact O-CB 3.34Å; N423-C426 PolarHBondContact O-N 2.96Å; A424-C426 VanDerWaalsContact C-N 3.26Å; A424-C426 PolarHBondContact O-N 3.32Å; C426-S430 PolarHBondContact O-N 3.43Å; C426-S430 VanDerWaalsContact O-N 3.13Å
427T98Very high97.6Very high52 Ų5253.8 Ų53.832%0.31928%0.277SS..Hα-helixtrans-65.2-48.2176.1-53.40000110.8R395 A424 L425 R429 S430 R431R395-T427 HydrophobicContact CB-CG2 3.98Å; R395-T427 HydrophobicContact CG-CG2 4.27Å; A424-T427 WeakPolarHBondContact O-CB 3.39Å; A424-T427 PolarHBondContact O-N 3.47Å; L425-T427 VanDerWaalsContact C-N 3.31Å; L425-T427 PolarHBondContact O-N 2.93Å; T427-R429 PolarHBondContact O-N 3.37Å; T427-S430 WeakPolarHBondContact O-CB 3.07Å; T427-S430 PolarHBondContact O-N 3.42Å; T427-S430 VanDerWaalsContact O-N 3.15Å; T427-R431 HydrophobicContact CG2-CG 4.48Å; T427-R431 WeakPolarHBondContact O-CG 3.22Å; T427-R431 PolarHBondContact O-N 2.83Å
428L98.4Very high97.5Very high0 Ų057.7 Ų57.70%032%0.317CS..Hα-helixtrans-60.3-44.2179.6-68171.6000112.4A393 G394 E419 A424 L425 S430 R431 I432 W436 L443A393-L428 HydrophobicContact CB-CD1 3.96Å; A393-L428 HydrophobicContact CB-CD2 4.29Å; G394-L428 WeakPolarHBondContact O-CD1 3.42Å; G394-L428 WeakPolarHBondContact O-CG 3.22Å; E419-L428 HydrophobicContact CB-CD1 3.78Å; E419-L428 HydrophobicContact CG-CD1 4.18Å; A424-L428 PolarHBondContact O-N 3Å; L425-L428 HydrophobicContact CD2-CD1 4.47Å; L425-L428 PolarHBondContact O-N 3.4Å; L428-S430 VanDerWaalsContact C-N 3.32Å; L428-S430 PolarHBondContact O-N 3.03Å; L428-R431 PolarHBondContact O-N 3.21Å; L428-R431 VanDerWaalsContact O-N 3.17Å; L428-I432 WeakPolarHBondContact O-CG1 3.42Å; L428-I432 PolarHBondContact O-N 2.98Å; L428-W436 HydrophobicContact CD2-CH2 3.94Å; L428-W436 HydrophobicContact CD2-CZ3 4.24Å; L428-L443 HydrophobicContact CB-CD1 3.88Å; L428-L443 HydrophobicContact CD1-CD1 3.78Å; L428-L443 HydrophobicContact CG-CD1 4.48Å
429R98.1Very high97.4Very high101 Ų10161.4 Ų61.438%0.38134%0.336SS..Hα-helixtrans-60.4-41.3175-69.7-172.5-159.8122.5-10.8111.7L425 T427 R431 I432 N433 L443 E445L425-R429 WeakPolarHBondContact O-CG 3.45Å; L425-R429 PolarHBondContact O-N 3.25Å; T427-R429 PolarHBondContact O-N 3.37Å; R429-R431 VanDerWaalsContact C-N 3.35Å; R429-I432 PolarHBondContact O-N 3Å; R429-N433 WeakPolarHBondContact O-CB 3.16Å; R429-N433 VanDerWaalsContact O-CG 3.28Å; R429-N433 PolarHBondContact O-N 2.84Å; R429-N433 VanDerWaalsContact O-N 3.08Å; R429-N433 PolarHBondContact O-ND2 2.73Å; R429-L443 HydrophobicContact CG-CD2 3.37Å; R429-E445 IonicContact CZ-OE1 3.21Å; R429-E445 IonicContact CZ-OE2 3.9Å; R429-E445 IonicContact NE-OE1 2.99Å; R429-E445 PolarHBondContact NE-OE1 2.96Å; R429-E445 IonicContact NH2-OE1 2.86Å; R429-E445 PolarHBondContact NH2-OE1 3.16Å; R429-E445 IonicContact NH2-OE2 2.61Å; R429-E445 PolarHBondContact NH2-OE2 2.73Å
430S97.8Very high97.3Very high62 Ų6263.6 Ų63.643%0.43435%0.348SS..Hα-helixtrans-62-42.4175.2-171.60000111.7C426 T427 L428 N433 H434C426-S430 PolarHBondContact O-N 3.43Å; C426-S430 VanDerWaalsContact O-N 3.13Å; T427-S430 WeakPolarHBondContact O-CB 3.07Å; T427-S430 PolarHBondContact O-N 3.42Å; T427-S430 VanDerWaalsContact O-N 3.15Å; L428-S430 VanDerWaalsContact C-N 3.32Å; L428-S430 PolarHBondContact O-N 3.03Å; S430-N433 PolarHBondContact O-N 3.31Å; S430-H434 PolarHBondContact O-N 2.85Å; S430-H434 VanDerWaalsContact O-N 3.16Å; S430-H434 PolarHBondContact O-ND1 2.89Å
431R98.1Very high97.4Very high39 Ų3961.5 Ų61.515%0.14734%0.34CS..Hα-helixtrans-67-43178.6-64.7-178.479.6160.27.5111.9R395 N400 T427 L428 R429 N433 H434 E435 W436R395-R431 WeakPolarHBondContact O-CD 3.33Å; R395-R431 PolarHBondContact O-NH1 3.16Å; N400-R431 VanDerWaalsContact CG-NH2 3.26Å; N400-R431 PolarHBondContact ND2-NH2 3.46Å; N400-R431 PolarHBondContact OD1-NH2 3.45Å; N400-R431 VanDerWaalsContact OD1-NH2 3.17Å; T427-R431 HydrophobicContact CG2-CG 4.48Å; T427-R431 WeakPolarHBondContact O-CG 3.22Å; T427-R431 PolarHBondContact O-N 2.83Å; L428-R431 PolarHBondContact O-N 3.21Å; L428-R431 VanDerWaalsContact O-N 3.17Å; R429-R431 VanDerWaalsContact C-N 3.35Å; R431-N433 VanDerWaalsContact C-N 3.31Å; R431-N433 PolarHBondContact O-N 2.91Å; R431-H434 PolarHBondContact O-N 3.26Å; R431-E435 HydrophobicContact CB-CB 4.44Å; R431-E435 IonicContact CZ-OE1 3.22Å; R431-E435 IonicContact CZ-OE2 3.33Å; R431-E435 VanDerWaalsContact CZ-OE2 3.24Å; R431-E435 IonicContact NE-OE1 2.74Å; R431-E435 IonicContact NE-OE2 3.84Å; R431-E435 PolarHBondContact NE-OE2 2.91Å; R431-E435 VanDerWaalsContact NH2-CD 3.26Å; R431-E435 IonicContact NH2-OE1 3.91Å; R431-E435 PolarHBondContact NH2-OE1 3.08Å; R431-E435 IonicContact NH2-OE2 3.66Å; R431-E435 PolarHBondContact NH2-OE2 3.26Å; R431-E435 WeakPolarHBondContact O-CA 3.25Å; R431-E435 WeakPolarHBondContact O-CB 3.36Å; R431-E435 PolarHBondContact O-N 2.84Å; R431-W436 HydrophobicContact CB-CD2 3.99Å; R431-W436 HydrophobicContact CB-CE3 3.84Å; R431-W436 HydrophobicContact CB-CH2 3.76Å; R431-W436 HydrophobicContact CB-CZ2 3.9Å; R431-W436 HydrophobicContact CB-CZ3 3.72Å; R431-W436 HydrophobicContact CG-CH2 4.47Å; R431-W436 HydrophobicContact CG-CZ2 4.48Å; R431-W436 VanDerWaalsContact NE-CZ2 3.32Å; R431-W436 PolarHBondContact O-N 3.33Å
432I97.8Very high97.3Very high36 Ų3664.9 Ų64.919%0.18536%0.356CS..Hα-helixtrans-57-44.4174.2-69.3167.5000111.4L428 R429 W436 V441 L443L428-I432 WeakPolarHBondContact O-CG1 3.42Å; L428-I432 PolarHBondContact O-N 2.98Å; R429-I432 PolarHBondContact O-N 3Å; I432-W436 HydrophobicContact CB-CE3 4.39Å; I432-W436 HydrophobicContact CG1-CE3 3.56Å; I432-W436 HydrophobicContact CG1-CZ3 3.87Å; I432-V441 HydrophobicContact CG1-CG1 4.18Å; I432-L443 HydrophobicContact CD1-CB 3.68Å
433N96.8Very high97.4Very high106 Ų10663.5 Ų63.557%0.56734%0.344SS*.Hα-helixtrans-76.4-21-175.6-70.3-22.4000114.5R429 S430 R431R429-N433 WeakPolarHBondContact O-CB 3.16Å; R429-N433 VanDerWaalsContact O-CG 3.28Å; R429-N433 PolarHBondContact O-N 2.84Å; R429-N433 VanDerWaalsContact O-N 3.08Å; R429-N433 PolarHBondContact O-ND2 2.73Å; S430-N433 PolarHBondContact O-N 3.31Å; R431-N433 VanDerWaalsContact C-N 3.31Å; R431-N433 PolarHBondContact O-N 2.91Å
434H96.4Very high97.3Very high137 Ų13759.6 Ų59.663%0.63432%0.323SS*.Hα-helixtrans-125.9-50.8-172.3-55.691.9000113.8S430 R431S430-H434 PolarHBondContact O-N 2.85Å; S430-H434 VanDerWaalsContact O-N 3.16Å; S430-H434 PolarHBondContact O-ND1 2.89Å; R431-H434 PolarHBondContact O-N 3.26Å
435E96.7Very high97.3Very high101 Ų10164 Ų6447%0.47234%0.344SS..THydrogen-bonded Turntrans-83.7-43.5-175.1-174.4-174.6164.800111.8N400 R431N400-E435 PolarHBondContact ND2-OE1 2.79Å; N400-E435 PolarHBondContact OD1-OE1 3.3Å; R431-E435 HydrophobicContact CB-CB 4.44Å; R431-E435 IonicContact CZ-OE1 3.22Å; R431-E435 IonicContact CZ-OE2 3.33Å; R431-E435 VanDerWaalsContact CZ-OE2 3.24Å; R431-E435 IonicContact NE-OE1 2.74Å; R431-E435 IonicContact NE-OE2 3.84Å; R431-E435 PolarHBondContact NE-OE2 2.91Å; R431-E435 VanDerWaalsContact NH2-CD 3.26Å; R431-E435 IonicContact NH2-OE1 3.91Å; R431-E435 PolarHBondContact NH2-OE1 3.08Å; R431-E435 IonicContact NH2-OE2 3.66Å; R431-E435 PolarHBondContact NH2-OE2 3.26Å; R431-E435 WeakPolarHBondContact O-CA 3.25Å; R431-E435 WeakPolarHBondContact O-CB 3.36Å; R431-E435 PolarHBondContact O-N 2.84Å
436W97.6Very high97.3Very high7 Ų764.7 Ų64.73%0.02735%0.353CS..SBendtrans-100.119.6-177.2-49.5-36000112.5V399 N400 I403 L428 R431 I432 G438 L439 V441V399-W436 HydrophobicContact CB-CH2 3.64Å; V399-W436 HydrophobicContact CB-CZ2 3.74Å; V399-W436 HydrophobicContact CB-CZ3 4.33Å; V399-W436 HydrophobicContact CG1-CD2 4.15Å; V399-W436 HydrophobicContact CG1-CE3 4.08Å; V399-W436 HydrophobicContact CG1-CH2 3.54Å; V399-W436 HydrophobicContact CG1-CZ2 3.59Å; V399-W436 HydrophobicContact CG1-CZ3 3.79Å; V399-W436 HydrophobicContact CG2-CH2 4.04Å; N400-W436 WeakPolarHBondContact OD1-CZ2 3.29Å; N400-W436 PolarHBondContact OD1-NE1 2.98Å; I403-W436 HydrophobicContact CD1-CD2 4.41Å; I403-W436 HydrophobicContact CD1-CG 4.03Å; L428-W436 HydrophobicContact CD2-CH2 3.94Å; L428-W436 HydrophobicContact CD2-CZ3 4.24Å; R431-W436 HydrophobicContact CB-CD2 3.99Å; R431-W436 HydrophobicContact CB-CE3 3.84Å; R431-W436 HydrophobicContact CB-CH2 3.76Å; R431-W436 HydrophobicContact CB-CZ2 3.9Å; R431-W436 HydrophobicContact CB-CZ3 3.72Å; R431-W436 HydrophobicContact CG-CH2 4.47Å; R431-W436 HydrophobicContact CG-CZ2 4.48Å; R431-W436 VanDerWaalsContact NE-CZ2 3.32Å; R431-W436 PolarHBondContact O-N 3.33Å; I432-W436 HydrophobicContact CB-CE3 4.39Å; I432-W436 HydrophobicContact CG1-CE3 3.56Å; I432-W436 HydrophobicContact CG1-CZ3 3.87Å; W436-G438 PolarHBondContact O-N 3.41Å; W436-L439 HydrophobicContact CB-CD1 4.21Å; W436-L439 WeakPolarHBondContact O-CB 3.42Å; W436-L439 PolarHBondContact O-N 3.32Å; W436-V441 HydrophobicContact CB-CG2 4.19Å; W436-V441 HydrophobicContact CE3-CB 4.37Å; W436-V441 HydrophobicContact CE3-CG1 3.74Å; W436-V441 HydrophobicContact CZ3-CG1 4.12Å
437Q94.8Very high97.3Very high155 Ų15562.6 Ų62.672%0.72434%0.337SS*.THydrogen-bonded Turntrans-60.1121.7179.4-171-178.413.600110.2
438G95Very high97.3Very high82 Ų8261 Ų6185%0.84533%0.325SS*.THydrogen-bonded Turntrans94.8-7.3-178.600000115W436W436-G438 PolarHBondContact O-N 3.41Å
439L96.9Very high97.2Very high79 Ų7963.9 Ų63.941%0.41434%0.336SS..SBendtrans-89.9153.1169.8-55.9178.3000110.4I403 W436 V441I403-L439 HydrophobicContact CD1-CD1 3.73Å; I403-L439 HydrophobicContact CG1-CD1 4.12Å; I403-L439 HydrophobicContact CG2-CD1 3.91Å; W436-L439 HydrophobicContact CB-CD1 4.21Å; W436-L439 WeakPolarHBondContact O-CB 3.42Å; W436-L439 PolarHBondContact O-N 3.32Å; L439-V441 HydrophobicContact CB-CG2 3.94Å; L439-V441 PolarHBondContact O-N 2.66Å
440D97.6Very high97.1Very high56 Ų5665.3 Ų65.330%0.29935%0.352SS..  trans-81.867.7175.2-166.9-1.3000110R414 I415 Q442R414-D440 IonicContact CZ-OD2 3.61Å; R414-D440 IonicContact NE-OD1 3.64Å; R414-D440 IonicContact NE-OD2 2.83Å; R414-D440 PolarHBondContact NE-OD2 3.11Å; R414-D440 IonicContact NH2-OD2 3.46Å; R414-D440 PolarHBondContact NH2-OD2 3.46Å; I415-D440 PolarHBondContact N-O 2.96Å; D440-Q442 PolarHBondContact OD1-NE2 2.78Å
441V98.3Very high97Very high11 Ų1164.1 Ų64.17%0.06734%0.34CS..EExtended strand (participates in β ladder)trans-111118.6176.1-173.70000109.5V399 I403 I415 I432 W436 L439V399-V441 HydrophobicContact CG1-CG1 3.98Å; I403-V441 HydrophobicContact CD1-CG2 4.32Å; I415-V441 HydrophobicContact CB-CG1 4.45Å; I415-V441 HydrophobicContact CB-CG2 4.26Å; I415-V441 HydrophobicContact CD1-CG2 4.28Å; I415-V441 CarbonylContact O-C 3.51Å; I415-V441 WeakPolarHBondContact O-CA 3.37Å; I432-V441 HydrophobicContact CG1-CG1 4.18Å; W436-V441 HydrophobicContact CB-CG2 4.19Å; W436-V441 HydrophobicContact CE3-CB 4.37Å; W436-V441 HydrophobicContact CE3-CG1 3.74Å; W436-V441 HydrophobicContact CZ3-CG1 4.12Å; L439-V441 HydrophobicContact CB-CG2 3.94Å; L439-V441 PolarHBondContact O-N 2.66Å
442Q97.7Very high96.6Very high72 Ų7272 Ų7234%0.33638%0.375SS..EExtended strand (participates in β ladder)trans-117.7142.5-176.9-60.6-1804500110.4I415 Y416 A417 D440I415-Q442 PolarHBondContact O-N 2.93Å; Y416-Q442 CarbonylContact C-O 3.56Å; Y416-Q442 WeakPolarHBondContact CA-O 3.43Å; Y416-Q442 HydrophobicContact CD1-CB 3.66Å; Y416-Q442 HydrophobicContact CE1-CB 3.79Å; Y416-Q442 HydrophobicContact CE1-CG 4.29Å; Y416-Q442 VanDerWaalsContact CE1-OE1 3.3Å; A417-Q442 PolarHBondContact N-O 2.93Å; D440-Q442 PolarHBondContact OD1-NE2 2.78Å
443L97.8Very high96.4Very high40 Ų4071.6 Ų71.621%0.20938%0.375CS..EExtended strand (participates in β ladder)trans-96.1132.2178-172.464.3000110.2A417 L425 L428 R429 I432 E445A417-L443 HydrophobicContact CB-CD1 4.33Å; L425-L443 HydrophobicContact CD2-CD1 3.91Å; L425-L443 HydrophobicContact CD2-CD2 4.19Å; L425-L443 HydrophobicContact CD2-CG 4.29Å; L428-L443 HydrophobicContact CB-CD1 3.88Å; L428-L443 HydrophobicContact CD1-CD1 3.78Å; L428-L443 HydrophobicContact CG-CD1 4.48Å; R429-L443 HydrophobicContact CG-CD2 3.37Å; I432-L443 HydrophobicContact CD1-CB 3.68Å; L443-E445 HydrophobicContact CD2-CG 4.08Å; L443-E445 HydrophobicContact CG-CG 4.06Å
444I97.5Very high96.2Very high24 Ų2471.3 Ų71.312%0.12338%0.379CS..EExtended strand (participates in β ladder)trans-120.1119.9167.6-54-178.8000108.4Y416 A417 V418 E419 L451 T453Y416-I444 HydrophobicContact CD1-CD1 3.51Å; Y416-I444 HydrophobicContact CD1-CG1 3.84Å; Y416-I444 HydrophobicContact CE1-CD1 4.16Å; Y416-I444 HydrophobicContact CG-CD1 3.99Å; A417-I444 PolarHBondContact O-N 2.74Å; V418-I444 WeakPolarHBondContact CA-O 3.38Å; V418-I444 HydrophobicContact CG2-CB 4.25Å; E419-I444 PolarHBondContact N-O 3.46Å; I444-L451 HydrophobicContact CG2-CD1 3.77Å; I444-L451 HydrophobicContact CG2-CD2 4.03Å; I444-L451 HydrophobicContact CG2-CG 4.41Å; I444-T453 HydrophobicContact CD1-CG2 3.76Å
445E97.3Very high96.3Very high94 Ų9467.7 Ų67.744%0.43936%0.362SS..EExtended strand (participates in β ladder)trans-96.2122.8-173.6-51-175.7-170.800109.8L425 R429 L443L425-E445 HydrophobicContact CD1-CB 3.84Å; L425-E445 HydrophobicContact CD1-CG 3.84Å; L425-E445 HydrophobicContact CD2-CB 4.38Å; L425-E445 HydrophobicContact CD2-CG 4Å; R429-E445 IonicContact CZ-OE1 3.21Å; R429-E445 IonicContact CZ-OE2 3.9Å; R429-E445 IonicContact NE-OE1 2.99Å; R429-E445 PolarHBondContact NE-OE1 2.96Å; R429-E445 IonicContact NH2-OE1 2.86Å; R429-E445 PolarHBondContact NH2-OE1 3.16Å; R429-E445 IonicContact NH2-OE2 2.61Å; R429-E445 PolarHBondContact NH2-OE2 2.73Å; L443-E445 HydrophobicContact CD2-CG 4.08Å; L443-E445 HydrophobicContact CG-CG 4.06Å
446G97Very high96.3Very high24 Ų2467.2 Ų67.225%0.24736%0.36CS..SBendtrans138.3-176.6173.800000114.3E419E419-G446 CarbonylContact C-O 3.59Å; E419-G446 PolarHBondContact O-N 3.38Å
447D97.9Very high96.3Very high37 Ų3766.9 Ų66.920%0.19836%0.359CS..  trans-80.9119.4179.6-173.4-40.7000110.8R449 N450 L451D447-R449 PolarHBondContact O-N 3.07Å; D447-R449 WeakPolarHBondContact OD1-CB 3.39Å; D447-R449 WeakPolarHBondContact OD1-CG 3.18Å; D447-R449 IonicContact OD1-CZ 2.69Å; D447-R449 PolarHBondContact OD1-N 3.46Å; D447-R449 IonicContact OD1-NE 2.71Å; D447-R449 PolarHBondContact OD1-NE 3.13Å; D447-R449 IonicContact OD1-NH2 2.67Å; D447-R449 IonicContact OD2-CZ 2.7Å; D447-R449 IonicContact OD2-NE 2.86Å; D447-R449 PolarHBondContact OD2-NE 3.42Å; D447-R449 IonicContact OD2-NH2 3.27Å; D447-R449 PolarHBondContact OD2-NH2 2.9Å; D447-N450 PolarHBondContact O-N 2.95Å; D447-L451 WeakPolarHBondContact O-CG 3.34Å
448M98Very high96.5Very high17 Ų1759.7 Ų59.78%0.08433%0.325CS..G310 helixtrans-50.8-24.8-176.169.6-174.976.800115.1L391 V418 N450 L464 C477 A481L391-M448 HydrophobicContact CB-CE 3.81Å; L391-M448 HydrophobicContact CB-SD 3.87Å; L391-M448 HydrophobicContact CD1-SD 4.19Å; L391-M448 HydrophobicContact CD2-CB 4.35Å; V418-M448 HydrophobicContact CG1-CB 4.25Å; M448-N450 VanDerWaalsContact C-N 3.27Å; M448-N450 PolarHBondContact O-N 3.32Å; M448-L464 HydrophobicContact CE-CD1 3.84Å; M448-L464 HydrophobicContact CE-CD2 4.39Å; M448-L464 HydrophobicContact SD-CD1 4.11Å; M448-C477 HydrophobicContact CE-CB 4.43Å; M448-C477 HydrophobicContact CG-CB 4.44Å; M448-C477 HydrophobicContact SD-CB 3.75Å; M448-A481 HydrophobicContact CB-CB 4.07Å; M448-A481 HydrophobicContact CG-CB 4.03Å; M448-A481 HydrophobicContact SD-CB 4.19Å
449R97Very high96.7Very high61 Ų6155.8 Ų55.823%0.2329%0.285CS..G310 helixtrans-73.9-17.7179.9-56.6172.9-65.6170.81.2113.5D447 L665D447-R449 PolarHBondContact O-N 3.07Å; D447-R449 WeakPolarHBondContact OD1-CB 3.39Å; D447-R449 WeakPolarHBondContact OD1-CG 3.18Å; D447-R449 IonicContact OD1-CZ 2.69Å; D447-R449 PolarHBondContact OD1-N 3.46Å; D447-R449 IonicContact OD1-NE 2.71Å; D447-R449 PolarHBondContact OD1-NE 3.13Å; D447-R449 IonicContact OD1-NH2 2.67Å; D447-R449 IonicContact OD2-CZ 2.7Å; D447-R449 IonicContact OD2-NE 2.86Å; D447-R449 PolarHBondContact OD2-NE 3.42Å; D447-R449 IonicContact OD2-NH2 3.27Å; D447-R449 PolarHBondContact OD2-NH2 2.9Å; R449-L665 PolarHBondContact NH1-OXT 2.69Å; R449-L665 PolarHBondContact NH2-OXT 3.37Å
450N95.6Very high96.8Very high131 Ų13152.2 Ų52.270%0.70127%0.266SS*.G310 helixtrans-123.511.9-172.5-60.3-60.4000113.2D447 M448D447-N450 PolarHBondContact O-N 2.95Å; M448-N450 VanDerWaalsContact C-N 3.27Å; M448-N450 PolarHBondContact O-N 3.32Å
451L94.4Very high96.8Very high38 Ų3849.5 Ų49.520%0.19925%0.252CS..  trans-90.5154.5-176.4-67.7173.5000112.4V418 I444 D447 M484V418-L451 HydrophobicContact CG1-CD1 3.33Å; I444-L451 HydrophobicContact CG2-CD1 3.77Å; I444-L451 HydrophobicContact CG2-CD2 4.03Å; I444-L451 HydrophobicContact CG2-CG 4.41Å; D447-L451 WeakPolarHBondContact O-CG 3.34Å; L451-M484 HydrophobicContact CB-SD 3.95Å
452K91.5Very high96.9Very high203 Ų20349 Ų4988%0.88325%0.249SC*.  trans-119.4119.8163.9-67.1-177.4179.5-179.10107.4
453T93.3Very high96.9Very high28 Ų2847.2 Ų47.217%0.17224%0.24CC..  trans-92.8154.5-179.550.90000111.4M389 I444 E455 M484M389-T453 HydrophobicContact CE-CG2 3.57Å; M389-T453 HydrophobicContact SD-CG2 3.92Å; I444-T453 HydrophobicContact CD1-CG2 3.76Å; T453-E455 WeakPolarHBondContact CB-O 3.42Å; T453-E455 PolarHBondContact O-N 3.39Å; T453-E455 PolarHBondContact OG1-O 2.79Å; T453-M484 HydrophobicContact CG2-CB 4.36Å; T453-M484 HydrophobicContact CG2-CG 4.12Å; T453-M484 HydrophobicContact CG2-SD 3.34Å; T453-M484 WeakPolarHBondContact CG2-SD 3.22Å
454P92.9Very high96.9Very high101 Ų10146.6 Ų46.666%0.65624%0.237SC*.SBendtrans-62.2-26.5177.5-22.934.1000113.9Y416Y416-P454 HydrophobicContact CE1-CG 4.17Å
455E96.7Very high97Very high60 Ų6045.5 Ų45.528%0.2823%0.231SC..SBendtrans-152.7166.4179.667.5-159.6125.700109.7V387 M389 R414 Y416 T453V387-E455 HydrophobicContact CG1-CG 4.02Å; V387-E455 HydrophobicContact CG2-CG 3.95Å; V387-E455 WeakPolarHBondContact CG2-OE2 3.29Å; M389-E455 WeakPolarHBondContact CE-O 3.32Å; R414-E455 WeakPolarHBondContact CD-OE1 3.35Å; R414-E455 IonicContact CZ-OE1 3.59Å; R414-E455 IonicContact NE-OE1 3.73Å; R414-E455 IonicContact NH1-OE1 2.62Å; R414-E455 PolarHBondContact NH1-OE1 2.84Å; R414-E455 IonicContact NH1-OE2 3.05Å; R414-E455 PolarHBondContact NH1-OE2 3.41Å; Y416-E455 HydrophobicContact CE2-CG 4.03Å; Y416-E455 VanDerWaalsContact CE2-OE1 3.31Å; Y416-E455 WeakPolarHBondContact CE2-OE1 3.29Å; Y416-E455 PolarHBondContact OH-OE1 3.35Å; T453-E455 WeakPolarHBondContact CB-O 3.42Å; T453-E455 PolarHBondContact O-N 3.39Å; T453-E455 PolarHBondContact OG1-O 2.79Å
456Q97.6Very high97Very high91 Ų9141 Ų4143%0.42521%0.21SC..  trans-83.4146.1174.6-69.6-177.5-44.900111.6P483 M484 L485 K486Q456-P483 PolarHBondContact NE2-O 3.21Å; Q456-M484 CarbonylContact C-O 3.54Å; Q456-M484 WeakPolarHBondContact CA-O 3.38Å; Q456-M484 WeakPolarHBondContact CB-O 3.38Å; Q456-L485 PolarHBondContact NE2-O 2.88Å; Q456-K486 HydrophobicContact CB-CG 3.64Å; Q456-K486 VanDerWaalsContact O-CE 3.31Å; Q456-K486 WeakPolarHBondContact O-CE 3.36Å
457A98.3Very high97Very high0 Ų040.2 Ų40.20%020%0.201CC..EExtended strand (participates in β ladder)trans-76.1143.3175.400000113V387 M389 F460 M484 L485 K486V387-A457 HydrophobicContact CG1-CB 4.45Å; M389-A457 HydrophobicContact CB-CB 4.14Å; M389-A457 HydrophobicContact CE-CB 3.89Å; M389-A457 HydrophobicContact CG-CB 3.76Å; M389-A457 HydrophobicContact SD-CB 3.63Å; A457-F460 HydrophobicContact CB-CD1 3.66Å; A457-F460 HydrophobicContact CB-CE1 3.58Å; A457-M484 PolarHBondContact N-O 3.25Å; A457-L485 HydrophobicContact CB-CD1 4.14Å; A457-K486 WeakPolarHBondContact O-CG 3.42Å; A457-K486 PolarHBondContact O-N 2.75Å
458D98.4Very high97.1Very high4 Ų438.4 Ų38.42%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-78.7-36.6163.1-70.5-71000111.4R346 Q386 V387 K486 G489 I490R346-D458 IonicContact CZ-OD1 2.96Å; R346-D458 IonicContact NE-OD1 3.91Å; R346-D458 IonicContact NH2-OD1 2.89Å; R346-D458 PolarHBondContact NH2-OD1 3.39Å; Q386-D458 HydrophobicContact CB-CB 4.45Å; Q386-D458 VanDerWaalsContact OE1-CG 3.29Å; Q386-D458 PolarHBondContact OE1-OD1 3.34Å; V387-D458 PolarHBondContact N-OD2 2.92Å; V387-D458 WeakPolarHBondContact O-CB 3.16Å; V387-D458 PolarHBondContact O-N 3.01Å; D458-K486 WeakPolarHBondContact OD1-CD 3.46Å; D458-K486 IonicContact OD1-NZ 2.68Å; D458-K486 PolarHBondContact OD1-NZ 3.45Å; D458-K486 IonicContact OD2-NZ 2.77Å; D458-K486 PolarHBondContact OD2-NZ 2.94Å; D458-G489 VanDerWaalsContact O-CA 3.31Å; D458-G489 WeakPolarHBondContact O-CA 3.4Å; D458-I490 PolarHBondContact O-N 2.88Å
459I98.7Very high97.1Very high0 Ų037.6 Ų37.60%019%0.188CC..EExtended strand (participates in β ladder)trans-138127.6-178.1-54.1177.8000109.7A342 L343 V387 V388 M389 V461 I490 I492A342-I459 HydrophobicContact CB-CD1 3.91Å; L343-I459 HydrophobicContact CD2-CD1 3.7Å; L343-I459 HydrophobicContact CG-CD1 4.05Å; V387-I459 PolarHBondContact O-N 3Å; V387-I459 VanDerWaalsContact O-N 3.16Å; V388-I459 CarbonylContact C-O 3.55Å; V388-I459 WeakPolarHBondContact CA-O 3.49Å; V388-I459 HydrophobicContact CG1-CB 4.34Å; V388-I459 HydrophobicContact CG2-CB 4.35Å; M389-I459 PolarHBondContact N-O 3.08Å; I459-V461 HydrophobicContact CG2-CG2 4.06Å; I459-I490 CarbonylContact C-O 3.38Å; I459-I490 VanDerWaalsContact CA-O 3.28Å; I459-I490 WeakPolarHBondContact CA-O 3.44Å; I459-I490 HydrophobicContact CG1-CB 4.43Å; I459-I492 HydrophobicContact CG2-CD1 3.99Å; I459-I492 HydrophobicContact CG2-CG1 4.28Å
460F98.8Very high97.2Very high4 Ų434.8 Ų34.82%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-89.2140160.2-74.4-9.6000110.4M389 L391 A457 A481 M484 L485 I490 I492M389-F460 HydrophobicContact CB-CD1 3.9Å; M389-F460 HydrophobicContact CB-CE1 4.13Å; M389-F460 HydrophobicContact CG-CE1 4.47Å; M389-F460 WeakPolarHBondContact O-CA 3.46Å; M389-F460 HydrophobicContact SD-CD1 4.4Å; M389-F460 HydrophobicContact SD-CE1 3.72Å; L391-F460 HydrophobicContact CD1-CB 4.17Å; L391-F460 HydrophobicContact CD1-CD1 4Å; L391-F460 HydrophobicContact CD1-CD2 3.62Å; L391-F460 HydrophobicContact CD1-CE1 4.21Å; L391-F460 HydrophobicContact CD1-CE2 3.87Å; L391-F460 HydrophobicContact CD1-CG 3.68Å; L391-F460 HydrophobicContact CD1-CZ 4.16Å; L391-F460 HydrophobicContact CG-CD1 4.47Å; L391-F460 HydrophobicContact CG-CG 4.46Å; A457-F460 HydrophobicContact CB-CD1 3.66Å; A457-F460 HydrophobicContact CB-CE1 3.58Å; F460-A481 HydrophobicContact CE2-CB 4.09Å; F460-A481 HydrophobicContact CZ-CB 4.32Å; F460-A481 WeakPolarHBondContact CZ-O 3.46Å; F460-M484 HydrophobicContact CE1-CB 4.37Å; F460-M484 HydrophobicContact CZ-CB 4.04Å; F460-L485 HydrophobicContact CB-CD1 4.48Å; F460-L485 HydrophobicContact CD1-CD1 3.71Å; F460-L485 HydrophobicContact CD2-CB 4.36Å; F460-L485 HydrophobicContact CD2-CD1 4.08Å; F460-L485 HydrophobicContact CD2-CD2 4.3Å; F460-L485 HydrophobicContact CD2-CG 4.48Å; F460-L485 HydrophobicContact CE1-CB 4.12Å; F460-L485 HydrophobicContact CE1-CD1 3.94Å; F460-L485 HydrophobicContact CE2-CB 3.77Å; F460-L485 HydrophobicContact CE2-CD1 4.28Å; F460-L485 HydrophobicContact CE2-CD2 4.41Å; F460-L485 HydrophobicContact CE2-CG 4.37Å; F460-L485 HydrophobicContact CG-CD1 3.81Å; F460-L485 HydrophobicContact CZ-CB 3.63Å; F460-L485 HydrophobicContact CZ-CD1 4.21Å; F460-L485 HydrophobicContact CZ-CG 4.44Å; F460-I490 PolarHBondContact N-O 3.49Å; F460-I492 WeakPolarHBondContact O-CB 3.4Å; F460-I492 PolarHBondContact O-N 2.99Å
461V98.9Very high97.3Very high0 Ų028.6 Ų28.60%014%0.144CC..EExtended strand (participates in β ladder)trans-128.2122.2170.3-176.20000107.6Y335 I339 V388 M389 V390 L391 L398 I459 I492Y335-V461 HydrophobicContact CD1-CG1 4.16Å; I339-V461 HydrophobicContact CD1-CG1 3.91Å; I339-V461 HydrophobicContact CD1-CG2 4.03Å; I339-V461 HydrophobicContact CG1-CG1 4.33Å; I339-V461 HydrophobicContact CG1-CG2 3.83Å; V388-V461 HydrophobicContact CG1-CG2 3.71Å; M389-V461 PolarHBondContact O-N 3.28Å; V390-V461 CarbonylContact C-O 3.46Å; V390-V461 VanDerWaalsContact CA-O 3.26Å; V390-V461 WeakPolarHBondContact CA-O 3.42Å; V390-V461 HydrophobicContact CG2-CB 4.4Å; L391-V461 PolarHBondContact N-O 3.33Å; L398-V461 HydrophobicContact CB-CG1 4.43Å; L398-V461 HydrophobicContact CD1-CG1 4.19Å; L398-V461 HydrophobicContact CD2-CG1 4.31Å; I459-V461 HydrophobicContact CG2-CG2 4.06Å; V461-I492 CarbonylContact C-O 3.54Å; V461-I492 WeakPolarHBondContact CA-O 3.22Å
462S98.8Very high97.5Very high0 Ų028.1 Ų28.10%014%0.141CC..EExtended strand (participates in β ladder)trans-143.4151.3179.972.50000110.7Y335 L391 I492 P493Y335-S462 VanDerWaalsContact CE1-O 3.27Å; Y335-S462 WeakPolarHBondContact CE1-O 3.34Å; Y335-S462 PolarHBondContact OH-O 3.08Å; Y335-S462 VanDerWaalsContact OH-O 3.1Å; L391-S462 WeakPolarHBondContact O-CB 3.28Å; S462-I492 PolarHBondContact N-O 3.49Å; S462-P493 VanDerWaalsContact O-CD 3.24Å; S462-P493 WeakPolarHBondContact O-CD 3.41Å
463E98.4Very high97.8Very high34 Ų3418.5 Ų18.516%0.15910%0.099CC..  trans-136.384.5170.3-163.5-73.589.500106.4K331 Y335 L398 L465 W607K331-E463 HydrophobicContact CD-CG 4.13Å; K331-E463 IonicContact NZ-OE2 2.78Å; K331-E463 PolarHBondContact NZ-OE2 3.46Å; Y335-E463 HydrophobicContact CE2-CB 4.15Å; Y335-E463 HydrophobicContact CE2-CG 3.64Å; Y335-E463 WeakPolarHBondContact OH-CG 3.39Å; L398-E463 HydrophobicContact CD1-CB 3.76Å; E463-L465 PolarHBondContact OE1-N 2.91Å; E463-W607 HydrophobicContact CG-CZ2 4.46Å; E463-W607 WeakPolarHBondContact OE1-CZ2 3.49Å
464L98.4Very high98.1Very high27 Ų2717.2 Ų17.214%0.1419%0.091CC..  trans-11825.8-176-53.2174.4000110.1M448 E472 S474 C477 L478M448-L464 HydrophobicContact CE-CD1 3.84Å; M448-L464 HydrophobicContact CE-CD2 4.39Å; M448-L464 HydrophobicContact SD-CD1 4.11Å; L464-E472 WeakPolarHBondContact O-CB 3.4Å; L464-S474 WeakPolarHBondContact O-CB 3.34Å; L464-C477 HydrophobicContact CD1-CB 3.67Å; L464-L478 HydrophobicContact CD1-CD2 4.48Å; L464-L478 HydrophobicContact CD1-CG 4.49Å
465L98.4Very high98.3Very high1 Ų112.4 Ų12.41%0.0056%0.06CC..  trans-94.1130.4-170.2-57.3179.7000110E463 G469 P493 Y496 F583 A585 W607E463-L465 PolarHBondContact OE1-N 2.91Å; L465-G469 WeakPolarHBondContact CA-O 3.44Å; L465-G469 WeakPolarHBondContact CD2-O 3.46Å; L465-P493 HydrophobicContact CD2-CG 4.49Å; L465-Y496 HydrophobicContact CD2-CD1 3.54Å; L465-Y496 HydrophobicContact CD2-CD2 4.16Å; L465-Y496 HydrophobicContact CD2-CE1 3.74Å; L465-Y496 HydrophobicContact CD2-CE2 4.32Å; L465-Y496 HydrophobicContact CD2-CG 3.77Å; L465-F583 HydrophobicContact CD1-CD2 4.41Å; L465-F583 HydrophobicContact CD1-CE2 3.77Å; L465-F583 HydrophobicContact CD1-CZ 4.39Å; L465-A585 HydrophobicContact CD1-CB 3.73Å; L465-W607 HydrophobicContact CB-CZ2 4.45Å; L465-W607 PolarHBondContact O-NE1 3.31Å
466G98Very high98.4Very high0 Ų010.4 Ų10.40%05%0.05CC..BIsolated β-bridgetrans-92.9-178.216700000112.4F468 G469 N471 F583G466-F468 PolarHBondContact O-N 2.92Å; G466-G469 PolarHBondContact N-O 2.8Å; G466-G469 PolarHBondContact O-N 3.37Å; G466-N471 WeakPolarHBondContact CA-OD1 3.32Å; G466-F583 WeakPolarHBondContact O-CD1 3.23Å
467S98.1Very high98.5Very high7 Ų76.3 Ų6.35%0.0493%0.031CC..THydrogen-bonded Turntrans-57.4-17.8177.8-63.30000115.6N471 Y582 F608S467-N471 PolarHBondContact N-OD1 3.43Å; S467-Y582 CarbonylContact O-C 3.22Å; S467-F608 WeakPolarHBondContact CB-O 3.47Å; S467-F608 PolarHBondContact OG-O 3.44Å
468F98.6Very high98.5Very high0 Ų06.5 Ų6.50%03%0.032CC..THydrogen-bonded Turntrans-116.222.9176.5-158.9-121000111.8G466 D470 N471 S498 Y499 V500 A546 F547 L610 F612 L630 Y641G466-F468 PolarHBondContact O-N 2.92Å; F468-D470 PolarHBondContact O-N 2.82Å; F468-N471 WeakPolarHBondContact CA-OD1 3.44Å; F468-N471 HydrophobicContact CB-CB 4.23Å; F468-N471 WeakPolarHBondContact CB-OD1 3.47Å; F468-N471 PolarHBondContact N-OD1 3Å; F468-S498 VanDerWaalsContact O-CB 3.28Å; F468-S498 WeakPolarHBondContact O-CB 3.2Å; F468-Y499 WeakPolarHBondContact CE2-O 3.43Å; F468-V500 HydrophobicContact CE2-CG1 3.54Å; F468-V500 HydrophobicContact CZ-CG1 3.56Å; F468-A546 HydrophobicContact CZ-CB 4.2Å; F468-F547 HydrophobicContact CE1-CD2 4.13Å; F468-F547 HydrophobicContact CE1-CE2 4.19Å; F468-L610 HydrophobicContact CB-CB 4.26Å; F468-L610 HydrophobicContact CB-CD2 3.55Å; F468-L610 HydrophobicContact CD1-CD2 4.45Å; F468-L610 HydrophobicContact CD2-CD2 4.44Å; F468-L610 HydrophobicContact CG-CD2 3.94Å; F468-F612 HydrophobicContact CD1-CE2 4.37Å; F468-F612 AromaticContact CD1-CZ 3.98Å; F468-F612 HydrophobicContact CD1-CZ 3.98Å; F468-F612 HydrophobicContact CD2-CE2 4.17Å; F468-F612 HydrophobicContact CE1-CE2 4.15Å; F468-F612 AromaticContact CE1-CZ 3.88Å; F468-F612 HydrophobicContact CE1-CZ 3.88Å; F468-F612 AromaticContact CE2-CE2 3.93Å; F468-F612 HydrophobicContact CE2-CE2 3.93Å; F468-F612 HydrophobicContact CE2-CZ 4.46Å; F468-F612 HydrophobicContact CG-CE2 4.38Å; F468-F612 HydrophobicContact CG-CZ 4.32Å; F468-F612 AromaticContact CZ-CE2 3.93Å; F468-F612 HydrophobicContact CZ-CE2 3.93Å; F468-F612 HydrophobicContact CZ-CZ 4.14Å; F468-L630 HydrophobicContact CE1-CD2 3.93Å; F468-L630 HydrophobicContact CZ-CD2 3.65Å; F468-Y641 HydrophobicContact CD1-CE1 4.3Å; F468-Y641 HydrophobicContact CE1-CE1 4.4Å
469G98.4Very high98.5Very high0 Ų07.3 Ų7.30%04%0.037CC..BIsolated β-bridgetrans76.8-62.8177.100000112.9L465 G466L465-G469 WeakPolarHBondContact CA-O 3.44Å; L465-G469 WeakPolarHBondContact CD2-O 3.46Å; G466-G469 PolarHBondContact N-O 2.8Å; G466-G469 PolarHBondContact O-N 3.37Å
470D98.6Very high98.4Very high1 Ų18.7 Ų8.71%0.0055%0.051CC..SBendtrans-100.7-4.1-17271.2-99000115.2F468 E472 L473 P475 Y496 F549 R632 Y641F468-D470 PolarHBondContact O-N 2.82Å; D470-E472 PolarHBondContact O-N 3.34Å; D470-L473 PolarHBondContact O-N 2.76Å; D470-P475 HydrophobicContact CB-CG 3.88Å; D470-Y496 HydrophobicContact CB-CE2 4.08Å; D470-F549 HydrophobicContact CB-CD2 3.95Å; D470-F549 HydrophobicContact CB-CE2 3.56Å; D470-F549 HydrophobicContact CB-CZ 4.23Å; D470-R632 VanDerWaalsContact OD2-CD 3.3Å; D470-R632 WeakPolarHBondContact OD2-CD 3.39Å; D470-R632 IonicContact OD2-CZ 3.47Å; D470-R632 IonicContact OD2-NE 3.3Å; D470-R632 PolarHBondContact OD2-NE 2.91Å; D470-R632 IonicContact OD2-NH2 2.74Å; D470-Y641 PolarHBondContact OD2-OH 2.77Å
471N98.2Very high98.4Very high2 Ų28.5 Ų8.51%0.0115%0.05CC..THydrogen-bonded Turntrans-72.23.2-172.569.6-78.4000115.4G466 S467 F468 Y641 I663G466-N471 WeakPolarHBondContact CA-OD1 3.32Å; S467-N471 PolarHBondContact N-OD1 3.43Å; F468-N471 WeakPolarHBondContact CA-OD1 3.44Å; F468-N471 HydrophobicContact CB-CB 4.23Å; F468-N471 WeakPolarHBondContact CB-OD1 3.47Å; F468-N471 PolarHBondContact N-OD1 3Å; N471-Y641 WeakPolarHBondContact CA-OH 3.22Å; N471-Y641 HydrophobicContact CB-CE2 3.88Å; N471-Y641 VanDerWaalsContact CB-OH 3.22Å; N471-Y641 WeakPolarHBondContact CB-OH 3.4Å; N471-Y641 PolarHBondContact N-OH 2.87Å; N471-I663 HydrophobicContact CB-CD1 4.41Å
472E98.4Very high98.3Very high28 Ų2810.1 Ų10.113%0.1316%0.058CC..THydrogen-bonded Turntrans-115.919.2169.8-68.2-173.7-169.700112.3P312 L464 D470 S474P312-E472 VanDerWaalsContact CG-OE2 3.3Å; P312-E472 WeakPolarHBondContact CG-OE2 3.48Å; L464-E472 WeakPolarHBondContact O-CB 3.4Å; D470-E472 PolarHBondContact O-N 3.34Å; E472-S474 VanDerWaalsContact C-N 3.32Å; E472-S474 PolarHBondContact O-N 2.97Å
473L98.5Very high98.2Very high1 Ų114.3 Ų14.31%0.0059%0.085CC..  trans66.325.2172.3-52178.8000115.4L313 D470 P475 E476 C477 V639 I663 A664 L665L313-L473 HydrophobicContact CD2-CB 4.14Å; L313-L473 HydrophobicContact CD2-CD1 3.58Å; L313-L473 HydrophobicContact CD2-CG 4.48Å; D470-L473 PolarHBondContact O-N 2.76Å; L473-P475 VanDerWaalsContact C-N 3.27Å; L473-E476 PolarHBondContact O-N 3.08Å; L473-E476 VanDerWaalsContact O-N 3.17Å; L473-C477 WeakPolarHBondContact O-CB 3.47Å; L473-C477 PolarHBondContact O-N 3.28Å; L473-C477 PolarHBondContact O-SG 3.37Å; L473-C477 VanDerWaalsContact O-SG 3.35Å; L473-V639 HydrophobicContact CD2-CB 3.64Å; L473-V639 HydrophobicContact CD2-CG1 4.15Å; L473-V639 HydrophobicContact CD2-CG2 3.51Å; L473-I663 HydrophobicContact CD1-CG2 3.55Å; L473-I663 HydrophobicContact CD2-CB 4.24Å; L473-I663 HydrophobicContact CD2-CG2 3.55Å; L473-I663 HydrophobicContact CG-CG2 3.42Å; L473-I663 VanDerWaalsContact CG-CG2 3.42Å; L473-A664 WeakPolarHBondContact CD1-O 3.1Å; L473-L665 HydrophobicContact CD1-CD2 3.79Å; L473-L665 HydrophobicContact CD1-CG 4.25Å; L473-L665 HydrophobicContact CD2-CD2 4.48Å
474S98.7Very high98.2Very high0 Ų013.1 Ų13.10%08%0.08CC..Hα-helixtrans-46.7-44.7170.4-175.10000113.2L464 E472 E476 C477 L478 Y496L464-S474 WeakPolarHBondContact O-CB 3.34Å; E472-S474 VanDerWaalsContact C-N 3.32Å; E472-S474 PolarHBondContact O-N 2.97Å; S474-E476 PolarHBondContact O-N 3.05Å; S474-C477 PolarHBondContact O-N 3.46Å; S474-L478 WeakPolarHBondContact O-CB 3.4Å; S474-L478 WeakPolarHBondContact O-CG 3.04Å; S474-L478 PolarHBondContact O-N 3.28Å; S474-Y496 VanDerWaalsContact CB-OH 3.23Å; S474-Y496 WeakPolarHBondContact CB-OH 3.41Å; S474-Y496 PolarHBondContact OG-OH 2.93Å; S474-Y496 VanDerWaalsContact OG-OH 3.06Å
475P98.6Very high98.2Very high0 Ų012.2 Ų12.20%08%0.075CC..Hα-helixtrans-58.4-49.7178.1-22.433.2000113.4D470 L473 D479 Y496 F549 N560D470-P475 HydrophobicContact CB-CG 3.88Å; L473-P475 VanDerWaalsContact C-N 3.27Å; P475-D479 VanDerWaalsContact O-CB 3.23Å; P475-D479 WeakPolarHBondContact O-CB 3.45Å; P475-D479 PolarHBondContact O-N 3.49Å; P475-Y496 VanDerWaalsContact CD-OH 3.22Å; P475-Y496 WeakPolarHBondContact CD-OH 3.5Å; P475-Y496 HydrophobicContact CG-CE2 4.3Å; P475-Y496 WeakPolarHBondContact CG-OH 3.48Å; P475-Y496 VanDerWaalsContact N-OH 3.14Å; P475-F549 HydrophobicContact CB-CD1 3.61Å; P475-F549 HydrophobicContact CB-CE1 3.83Å; P475-F549 HydrophobicContact CB-CG 4.25Å; P475-F549 HydrophobicContact CG-CB 4.39Å; P475-F549 HydrophobicContact CG-CD1 3.45Å; P475-F549 VanDerWaalsContact CG-CD1 3.45Å; P475-F549 HydrophobicContact CG-CD2 4.02Å; P475-F549 HydrophobicContact CG-CE1 3.61Å; P475-F549 HydrophobicContact CG-CE2 4.17Å; P475-F549 HydrophobicContact CG-CG 3.68Å; P475-F549 HydrophobicContact CG-CZ 3.97Å; P475-N560 HydrophobicContact CB-CB 4.4Å
476E98.4Very high98.1Very high19 Ų1915.1 Ų15.19%0.0899%0.087CC..Hα-helixtrans-69.9-35-177.5-69.175.3-155.900112.8L473 S474 G480 N560 R632 L665L473-E476 PolarHBondContact O-N 3.08Å; L473-E476 VanDerWaalsContact O-N 3.17Å; S474-E476 PolarHBondContact O-N 3.05Å; E476-G480 PolarHBondContact O-N 2.78Å; E476-N560 WeakPolarHBondContact OE1-CB 3.23Å; E476-N560 PolarHBondContact OE1-ND2 2.89Å; E476-R632 VanDerWaalsContact CD-NH2 3.3Å; E476-R632 IonicContact OE1-CZ 2.67Å; E476-R632 VanDerWaalsContact OE1-CZ 3.31Å; E476-R632 IonicContact OE1-NH1 3.23Å; E476-R632 PolarHBondContact OE1-NH1 3.35Å; E476-R632 IonicContact OE1-NH2 2.89Å; E476-R632 PolarHBondContact OE1-NH2 2.99Å; E476-R632 IonicContact OE2-CZ 3.29Å; E476-R632 IonicContact OE2-NH1 3.64Å; E476-R632 IonicContact OE2-NH2 3.5Å; E476-R632 PolarHBondContact OE2-NH2 2.9Å; E476-L665 HydrophobicContact CB-CD2 3.54Å; E476-L665 HydrophobicContact CG-CD2 3.59Å
477C98.5Very high98Very high4 Ų423.3 Ų23.33%0.02713%0.131CC..Hα-helixtrans-63.8-50.3174.8-72.80000111.5M448 L464 L473 S474 G480 A481M448-C477 HydrophobicContact CE-CB 4.43Å; M448-C477 HydrophobicContact CG-CB 4.44Å; M448-C477 HydrophobicContact SD-CB 3.75Å; L464-C477 HydrophobicContact CD1-CB 3.67Å; L473-C477 WeakPolarHBondContact O-CB 3.47Å; L473-C477 PolarHBondContact O-N 3.28Å; L473-C477 PolarHBondContact O-SG 3.37Å; L473-C477 VanDerWaalsContact O-SG 3.35Å; S474-C477 PolarHBondContact O-N 3.46Å; C477-G480 PolarHBondContact O-N 3.35Å; C477-A481 WeakPolarHBondContact O-CB 3.43Å; C477-A481 PolarHBondContact O-N 3.22Å; C477-A481 VanDerWaalsContact O-N 3.09Å
478L98.5Very high97.9Very high4 Ų427.7 Ų27.72%0.02115%0.154CC..Hα-helixtrans-73.2-35.9-177.5-66.5177000112.6L391 L464 S474 G480 A481 Q482 H551L391-L478 HydrophobicContact CD1-CD2 3.82Å; L464-L478 HydrophobicContact CD1-CD2 4.48Å; L464-L478 HydrophobicContact CD1-CG 4.49Å; S474-L478 WeakPolarHBondContact O-CB 3.4Å; S474-L478 WeakPolarHBondContact O-CG 3.04Å; S474-L478 PolarHBondContact O-N 3.28Å; L478-G480 VanDerWaalsContact C-N 3.32Å; L478-G480 PolarHBondContact O-N 2.85Å; L478-A481 PolarHBondContact O-N 2.98Å; L478-Q482 PolarHBondContact O-N 3.22Å; L478-H551 HydrophobicContact CD1-CB 4.43Å
479D98Very high97.8Very high22 Ų2228 Ų2812%0.11816%0.158CC..Hα-helixtrans-59-44.5172.3-77.6-2.1000111.1P475 A481 Q482 K553 L556 N560P475-D479 VanDerWaalsContact O-CB 3.23Å; P475-D479 WeakPolarHBondContact O-CB 3.45Å; P475-D479 PolarHBondContact O-N 3.49Å; D479-A481 VanDerWaalsContact C-N 3.31Å; D479-A481 PolarHBondContact O-N 2.9Å; D479-Q482 PolarHBondContact O-N 3.17Å; D479-K553 WeakPolarHBondContact OD1-CD 3.21Å; D479-K553 IonicContact OD1-NZ 2.66Å; D479-K553 IonicContact OD2-NZ 2.73Å; D479-K553 PolarHBondContact OD2-NZ 2.7Å; D479-L556 HydrophobicContact CB-CD2 4.15Å; D479-N560 PolarHBondContact OD2-ND2 2.98Å; D479-N560 PolarHBondContact OD2-OD1 3.15Å
480G97.2Very high97.8Very high28 Ų2828.9 Ų28.929%0.28916%0.162SC..Hα-helixtrans-68.6-29.2177.500000113.4E476 C477 L478 P483E476-G480 PolarHBondContact O-N 2.78Å; C477-G480 PolarHBondContact O-N 3.35Å; L478-G480 VanDerWaalsContact C-N 3.32Å; L478-G480 PolarHBondContact O-N 2.85Å; G480-P483 WeakPolarHBondContact O-CD 3.33Å
481A98.1Very high97.9Very high0 Ų029 Ų290%016%0.163CC..Hα-helixtrans-82.4-23.5177.600000113.6L391 M448 F460 C477 L478 D479 P483 M484L391-A481 HydrophobicContact CD1-CB 3.78Å; M448-A481 HydrophobicContact CB-CB 4.07Å; M448-A481 HydrophobicContact CG-CB 4.03Å; M448-A481 HydrophobicContact SD-CB 4.19Å; F460-A481 HydrophobicContact CE2-CB 4.09Å; F460-A481 HydrophobicContact CZ-CB 4.32Å; F460-A481 WeakPolarHBondContact CZ-O 3.46Å; C477-A481 WeakPolarHBondContact O-CB 3.43Å; C477-A481 PolarHBondContact O-N 3.22Å; C477-A481 VanDerWaalsContact O-N 3.09Å; L478-A481 PolarHBondContact O-N 2.98Å; D479-A481 VanDerWaalsContact C-N 3.31Å; D479-A481 PolarHBondContact O-N 2.9Å; A481-P483 VanDerWaalsContact C-N 3.31Å; A481-P483 WeakPolarHBondContact O-CD 3.25Å; A481-P483 VanDerWaalsContact O-N 3.11Å; A481-M484 HydrophobicContact CB-CE 3.65Å; A481-M484 WeakPolarHBondContact O-CB 3.42Å; A481-M484 PolarHBondContact O-N 3.27Å
482Q98.1Very high97.9Very high34 Ų3428.9 Ų28.916%0.15916%0.162CC..G310 helixtrans-51-33.9-173.3-172.8170.5-53.100115.8L478 D479 M484 L485 P552 K553 L556L478-Q482 PolarHBondContact O-N 3.22Å; D479-Q482 PolarHBondContact O-N 3.17Å; Q482-M484 PolarHBondContact O-N 2.8Å; Q482-L485 WeakPolarHBondContact O-CB 3.46Å; Q482-L485 PolarHBondContact O-N 3.13Å; Q482-P552 HydrophobicContact CG-CB 4.29Å; Q482-K553 PolarHBondContact NE2-O 3.15Å; Q482-K553 PolarHBondContact OE1-O 2.92Å; Q482-L556 HydrophobicContact CB-CD1 4.3Å; Q482-L556 HydrophobicContact CB-CD2 4.03Å; Q482-L556 HydrophobicContact CG-CD1 4.32Å; Q482-L556 HydrophobicContact CG-CD2 4.31Å
483P96.8Very high97.9Very high88 Ų8827.5 Ų27.557%0.57116%0.156SC*.G310 helixtrans-57.4-21.1174.1-27.236.8000114.6Q456 G480 A481 L485Q456-P483 PolarHBondContact NE2-O 3.21Å; G480-P483 WeakPolarHBondContact O-CD 3.33Å; A481-P483 VanDerWaalsContact C-N 3.31Å; A481-P483 WeakPolarHBondContact O-CD 3.25Å; A481-P483 VanDerWaalsContact O-N 3.11Å; P483-L485 VanDerWaalsContact C-N 3.33Å
484M97.5Very high97.9Very high10 Ų1029 Ų295%0.04917%0.166CC..G310 helixtrans-84.7-3.2175.7-51.4-179.8-59.600113M389 L391 L451 T453 Q456 A457 F460 A481 Q482M389-M484 HydrophobicContact SD-CB 4.16Å; L391-M484 HydrophobicContact CD2-CE 4.33Å; L451-M484 HydrophobicContact CB-SD 3.95Å; T453-M484 HydrophobicContact CG2-CB 4.36Å; T453-M484 HydrophobicContact CG2-CG 4.12Å; T453-M484 HydrophobicContact CG2-SD 3.34Å; T453-M484 WeakPolarHBondContact CG2-SD 3.22Å; Q456-M484 CarbonylContact C-O 3.54Å; Q456-M484 WeakPolarHBondContact CA-O 3.38Å; Q456-M484 WeakPolarHBondContact CB-O 3.38Å; A457-M484 PolarHBondContact N-O 3.25Å; F460-M484 HydrophobicContact CE1-CB 4.37Å; F460-M484 HydrophobicContact CZ-CB 4.04Å; A481-M484 HydrophobicContact CB-CE 3.65Å; A481-M484 WeakPolarHBondContact O-CB 3.42Å; A481-M484 PolarHBondContact O-N 3.27Å; Q482-M484 PolarHBondContact O-N 2.8Å
485L98Very high97.9Very high8 Ų830.2 Ų30.24%0.04217%0.174CC..EExtended strand (participates in β ladder)trans-95.7142.4177.1-166.667.7000110.3Q456 A457 F460 Q482 P483 P552Q456-L485 PolarHBondContact NE2-O 2.88Å; A457-L485 HydrophobicContact CB-CD1 4.14Å; F460-L485 HydrophobicContact CB-CD1 4.48Å; F460-L485 HydrophobicContact CD1-CD1 3.71Å; F460-L485 HydrophobicContact CD2-CB 4.36Å; F460-L485 HydrophobicContact CD2-CD1 4.08Å; F460-L485 HydrophobicContact CD2-CD2 4.3Å; F460-L485 HydrophobicContact CD2-CG 4.48Å; F460-L485 HydrophobicContact CE1-CB 4.12Å; F460-L485 HydrophobicContact CE1-CD1 3.94Å; F460-L485 HydrophobicContact CE2-CB 3.77Å; F460-L485 HydrophobicContact CE2-CD1 4.28Å; F460-L485 HydrophobicContact CE2-CD2 4.41Å; F460-L485 HydrophobicContact CE2-CG 4.37Å; F460-L485 HydrophobicContact CG-CD1 3.81Å; F460-L485 HydrophobicContact CZ-CB 3.63Å; F460-L485 HydrophobicContact CZ-CD1 4.21Å; F460-L485 HydrophobicContact CZ-CG 4.44Å; Q482-L485 WeakPolarHBondContact O-CB 3.46Å; Q482-L485 PolarHBondContact O-N 3.13Å; P483-L485 VanDerWaalsContact C-N 3.33Å; L485-P552 HydrophobicContact CD2-CB 3.84Å; L485-P552 HydrophobicContact CD2-CG 4.02Å
486K97.6Very high97.9Very high61 Ų6130.2 Ų30.227%0.26517%0.174SC..EExtended strand (participates in β ladder)trans-65.7156.8170.3-66.7174.8-170.71760110.8Q456 A457 D458 D488 G489Q456-K486 HydrophobicContact CB-CG 3.64Å; Q456-K486 VanDerWaalsContact O-CE 3.31Å; Q456-K486 WeakPolarHBondContact O-CE 3.36Å; A457-K486 WeakPolarHBondContact O-CG 3.42Å; A457-K486 PolarHBondContact O-N 2.75Å; D458-K486 WeakPolarHBondContact OD1-CD 3.46Å; D458-K486 IonicContact OD1-NZ 2.68Å; D458-K486 PolarHBondContact OD1-NZ 3.45Å; D458-K486 IonicContact OD2-NZ 2.77Å; D458-K486 PolarHBondContact OD2-NZ 2.94Å; K486-D488 WeakPolarHBondContact CB-OD1 3.2Å; K486-D488 PolarHBondContact O-N 2.86Å; K486-G489 WeakPolarHBondContact O-CA 3.41Å; K486-G489 PolarHBondContact O-N 3.46Å
487D95.6Very high97.9Very high173 Ų17330.3 Ų30.393%0.92518%0.176SC*.EExtended strand (participates in β ladder)trans-58.8-30.6178.5-66.5-18.9000113.2
488D95.5Very high98Very high98 Ų9830.2 Ų30.252%0.52418%0.175SC..EExtended strand (participates in β ladder)trans-97.810175.577-47.8000113.2R346 K486R346-D488 IonicContact CZ-OD2 3.91Å; R346-D488 VanDerWaalsContact CZ-OD2 3.3Å; R346-D488 PolarHBondContact NH1-O 2.68Å; R346-D488 IonicContact NH1-OD2 2.66Å; R346-D488 PolarHBondContact NH1-OD2 3.05Å; R346-D488 IonicContact NH2-OD1 3.32Å; R346-D488 IonicContact NH2-OD2 2.92Å; R346-D488 PolarHBondContact NH2-OD2 3.26Å; K486-D488 WeakPolarHBondContact CB-OD1 3.2Å; K486-D488 PolarHBondContact O-N 2.86Å
489G97.5Very high98Very high8 Ų831.5 Ų31.58%0.08218%0.18CC..EExtended strand (participates in β ladder)trans-70.1154.2-174.100000113.1D458 K486D458-G489 VanDerWaalsContact O-CA 3.31Å; D458-G489 WeakPolarHBondContact O-CA 3.4Å; K486-G489 WeakPolarHBondContact O-CA 3.41Å; K486-G489 PolarHBondContact O-N 3.46Å
490I98.5Very high98Very high18 Ų1830.4 Ų30.49%0.09218%0.175CC..EExtended strand (participates in β ladder)trans-108.2133.5-178.3-61.6169.4000108.7A342 R346 D458 I459 F460 I492 Y588A342-I490 HydrophobicContact CB-CD1 4.08Å; A342-I490 HydrophobicContact CB-CG2 4.4Å; R346-I490 HydrophobicContact CG-CD1 3.82Å; D458-I490 PolarHBondContact O-N 2.88Å; I459-I490 CarbonylContact C-O 3.38Å; I459-I490 VanDerWaalsContact CA-O 3.28Å; I459-I490 WeakPolarHBondContact CA-O 3.44Å; I459-I490 HydrophobicContact CG1-CB 4.43Å; F460-I490 PolarHBondContact N-O 3.49Å; I490-I492 HydrophobicContact CG2-CG1 4.18Å; I490-Y588 HydrophobicContact CD1-CE2 3.9Å; I490-Y588 HydrophobicContact CG1-CE2 4.4Å; I490-Y588 HydrophobicContact CG2-CD2 3.71Å; I490-Y588 HydrophobicContact CG2-CE2 3.62Å
491S98.8Very high98.1Very high2 Ų229.1 Ų29.11%0.01416%0.161CC..EExtended strand (participates in β ladder)trans-99137.4165.2-1780000110.5P493 C494 H551S491-P493 CarbonylContact C-O 3.54Å; S491-P493 CarbonylContact O-C 3.57Å; S491-P493 VanDerWaalsContact O-C 3.22Å; S491-P493 PolarHBondContact OG-O 3.18Å; S491-C494 WeakPolarHBondContact O-CA 3.25Å; S491-C494 PolarHBondContact O-N 3.1Å; S491-C494 PolarHBondContact O-SG 3.28Å; S491-H551 VanDerWaalsContact CB-CB 3.45Å; S491-H551 WeakPolarHBondContact CB-O 3.47Å; S491-H551 VanDerWaalsContact OG-CB 3.31Å; S491-H551 WeakPolarHBondContact OG-CB 3.33Å
492I98.9Very high98.1Very high0 Ų029.1 Ų29.10%016%0.161CC..EExtended strand (participates in β ladder)trans-120.9112.2169.6-58.2179.7000106.8Y335 A338 I339 A342 I459 F460 V461 S462 I490 L587Y335-I492 HydrophobicContact CD1-CG2 3.92Å; Y335-I492 HydrophobicContact CE1-CG2 4.01Å; A338-I492 HydrophobicContact CB-CD1 4.29Å; A338-I492 HydrophobicContact CB-CG2 4.06Å; I339-I492 HydrophobicContact CB-CD1 4.45Å; I339-I492 HydrophobicContact CG1-CD1 3.96Å; A342-I492 HydrophobicContact CB-CD1 3.98Å; I459-I492 HydrophobicContact CG2-CD1 3.99Å; I459-I492 HydrophobicContact CG2-CG1 4.28Å; F460-I492 WeakPolarHBondContact O-CB 3.4Å; F460-I492 PolarHBondContact O-N 2.99Å; V461-I492 CarbonylContact C-O 3.54Å; V461-I492 WeakPolarHBondContact CA-O 3.22Å; S462-I492 PolarHBondContact N-O 3.49Å; I490-I492 HydrophobicContact CG2-CG1 4.18Å; I492-L587 HydrophobicContact CG2-CB 4.1Å
493P98.8Very high98.1Very high0 Ų027.6 Ų27.60%015%0.154CC..SBendcis-68.4151.31.130-36.3000113.9S462 L465 S491 Y496 L587S462-P493 VanDerWaalsContact O-CD 3.24Å; S462-P493 WeakPolarHBondContact O-CD 3.41Å; L465-P493 HydrophobicContact CD2-CG 4.49Å; S491-P493 CarbonylContact C-O 3.54Å; S491-P493 CarbonylContact O-C 3.57Å; S491-P493 VanDerWaalsContact O-C 3.22Å; S491-P493 PolarHBondContact OG-O 3.18Å; P493-Y496 HydrophobicContact CB-CD1 4.36Å; P493-Y496 HydrophobicContact CG-CD1 3.9Å; P493-Y496 HydrophobicContact CG-CE1 4.14Å; P493-L587 HydrophobicContact CB-CD2 4.06Å
494C98.6Very high98.1Very high33 Ų3323.4 Ų23.422%0.22313%0.127CC..  trans-75.9-37.2171.6-69.50000111.5S491 E550 H551 V586 L587S491-C494 WeakPolarHBondContact O-CA 3.25Å; S491-C494 PolarHBondContact O-N 3.1Å; S491-C494 PolarHBondContact O-SG 3.28Å; C494-E550 CarbonylContact O-C 3.45Å; C494-E550 WeakPolarHBondContact O-CA 3.41Å; C494-H551 PolarHBondContact O-N 3.36Å; C494-V586 HydrophobicContact CB-CG1 4.48Å; C494-V586 PolarHBondContact N-O 3.34Å; C494-L587 PolarHBondContact N-O 3.1Å; C494-L587 PolarHBondContact SG-O 3.33Å; C494-L587 VanDerWaalsContact SG-O 3.41Å
495S98.7Very high98.1Very high24 Ų2423 Ų2317%0.16812%0.124CC..EExtended strand (participates in β ladder)trans-160163.8176.9650000111.5F549 A585 V586S495-F549 CarbonylContact C-O 3.35Å; S495-F549 WeakPolarHBondContact CA-O 3.39Å; S495-F549 WeakPolarHBondContact CB-O 3.4Å; S495-A585 CarbonylContact O-C 3.48Å; S495-A585 WeakPolarHBondContact O-CA 3.34Å; S495-V586 PolarHBondContact N-O 3.12Å; S495-V586 PolarHBondContact O-N 3.16Å
496Y98.8Very high98Very high1 Ų123.1 Ų23.10%0.00413%0.125CC..EExtended strand (participates in β ladder)trans-151.3147.7169.343.4-91.5000110.5L465 D470 S474 P475 P493 T548 F549 H551 E584L465-Y496 HydrophobicContact CD2-CD1 3.54Å; L465-Y496 HydrophobicContact CD2-CD2 4.16Å; L465-Y496 HydrophobicContact CD2-CE1 3.74Å; L465-Y496 HydrophobicContact CD2-CE2 4.32Å; L465-Y496 HydrophobicContact CD2-CG 3.77Å; D470-Y496 HydrophobicContact CB-CE2 4.08Å; S474-Y496 VanDerWaalsContact CB-OH 3.23Å; S474-Y496 WeakPolarHBondContact CB-OH 3.41Å; S474-Y496 PolarHBondContact OG-OH 2.93Å; S474-Y496 VanDerWaalsContact OG-OH 3.06Å; P475-Y496 VanDerWaalsContact CD-OH 3.22Å; P475-Y496 WeakPolarHBondContact CD-OH 3.5Å; P475-Y496 HydrophobicContact CG-CE2 4.3Å; P475-Y496 WeakPolarHBondContact CG-OH 3.48Å; P475-Y496 VanDerWaalsContact N-OH 3.14Å; P493-Y496 HydrophobicContact CB-CD1 4.36Å; P493-Y496 HydrophobicContact CG-CD1 3.9Å; P493-Y496 HydrophobicContact CG-CE1 4.14Å; Y496-T548 WeakPolarHBondContact O-CA 3.15Å; Y496-F549 HydrophobicContact CD2-CB 4.25Å; Y496-F549 HydrophobicContact CD2-CD2 4.2Å; Y496-F549 HydrophobicContact CE2-CB 3.64Å; Y496-F549 AromaticContact CE2-CD2 3.69Å; Y496-F549 HydrophobicContact CE2-CD2 3.69Å; Y496-F549 AromaticContact CE2-CG 3.93Å; Y496-F549 HydrophobicContact CE2-CG 3.93Å; Y496-F549 PolarHBondContact N-O 3.06Å; Y496-F549 PolarHBondContact O-N 2.97Å; Y496-H551 AromaticContact CE1-CD2 3.54Å; Y496-H551 AromaticContact CE1-NE2 3.43Å; Y496-H551 WeakPolarHBondContact CE1-NE2 3.43Å; Y496-H551 AromaticContact CZ-NE2 3.44Å; Y496-H551 PolarHBondContact OH-NE2 2.82Å; Y496-E584 CarbonylContact C-O 3.54Å; Y496-E584 WeakPolarHBondContact CA-O 3Å; Y496-E584 WeakPolarHBondContact CB-O 3.3Å
497T98.8Very high97.9Very high21 Ų2123.1 Ų23.113%0.12913%0.126CC..EExtended strand (participates in β ladder)trans-127.4125.9-178.1-60.90000109.5Y499 P545 F547 T548 F583 E584T497-Y499 HydrophobicContact CG2-CD2 4.26Å; T497-Y499 HydrophobicContact CG2-CE2 3.67Å; T497-Y499 WeakPolarHBondContact O-CD2 3.21Å; T497-Y499 WeakPolarHBondContact O-CE2 3.39Å; T497-P545 HydrophobicContact CG2-CB 3.79Å; T497-F547 CarbonylContact C-O 3.59Å; T497-F547 VanDerWaalsContact CA-O 3.24Å; T497-F547 WeakPolarHBondContact CA-O 3.32Å; T497-T548 WeakPolarHBondContact CG2-OG1 3.15Å; T497-T548 WeakPolarHBondContact OG1-CG2 3.32Å; T497-T548 PolarHBondContact OG1-OG1 3.45Å; T497-F583 CarbonylContact O-C 3.54Å; T497-F583 VanDerWaalsContact O-CA 3.27Å; T497-F583 WeakPolarHBondContact O-CA 3.09Å; T497-E584 PolarHBondContact N-O 3.06Å; T497-E584 PolarHBondContact O-N 3.45Å
498S98.9Very high97.8Very high1 Ų115.1 Ų15.11%0.0078%0.084CC..EExtended strand (participates in β ladder)trans-78.9151.5169.9600000111F468 P545 A546 F547 Y582F468-S498 VanDerWaalsContact O-CB 3.28Å; F468-S498 WeakPolarHBondContact O-CB 3.2Å; S498-P545 CarbonylContact O-C 3.6Å; S498-P545 WeakPolarHBondContact O-CA 3.34Å; S498-A546 PolarHBondContact O-N 3.06Å; S498-A546 WeakPolarHBondContact OG-CB 3.4Å; S498-F547 PolarHBondContact N-O 3.4Å; S498-F547 WeakPolarHBondContact OG-CB 3.47Å; S498-F547 PolarHBondContact OG-N 3.01Å; S498-F547 PolarHBondContact OG-O 2.75Å; S498-Y582 CarbonylContact C-O 3.35Å; S498-Y582 WeakPolarHBondContact CA-O 3.43Å
499Y98.8Very high97.7Very high31 Ų3111.5 Ų11.512%0.1226%0.062CC..EExtended strand (participates in β ladder)trans-131.1145.7179.2-71.5-102.3000110.6F468 T497 P543 Q544 P545 G581 Y582 E584 H596 R599F468-Y499 WeakPolarHBondContact CE2-O 3.43Å; T497-Y499 HydrophobicContact CG2-CD2 4.26Å; T497-Y499 HydrophobicContact CG2-CE2 3.67Å; T497-Y499 WeakPolarHBondContact O-CD2 3.21Å; T497-Y499 WeakPolarHBondContact O-CE2 3.39Å; Y499-P543 HydrophobicContact CD1-CB 4.46Å; Y499-Q544 CarbonylContact C-O 3.52Å; Y499-Q544 WeakPolarHBondContact CA-O 3.44Å; Y499-P545 HydrophobicContact CD1-CB 4.27Å; Y499-P545 HydrophobicContact CE1-CB 3.89Å; Y499-P545 HydrophobicContact CE1-CG 4.47Å; Y499-G581 CarbonylContact O-C 3.59Å; Y499-G581 VanDerWaalsContact O-CA 3.27Å; Y499-G581 WeakPolarHBondContact O-CA 3.33Å; Y499-Y582 PolarHBondContact N-O 3.19Å; Y499-Y582 PolarHBondContact O-N 3.23Å; Y499-E584 HydrophobicContact CD2-CG 4.07Å; Y499-E584 HydrophobicContact CE2-CB 3.99Å; Y499-E584 HydrophobicContact CE2-CG 3.57Å; Y499-E584 PolarHBondContact OH-OE2 3.47Å; Y499-H596 AromaticContact CD1-CD2 3.81Å; Y499-R599 PolarHBondContact OH-NH2 3.4Å
500V98.7Very high97.5Very high0 Ų011.2 Ų11.20%06%0.059CC..EExtended strand (participates in β ladder)trans-129.2144.8-178.7-72.30000112.2F468 P543 Q544 A546 C566 F568 I579 A580 L628 L630F468-V500 HydrophobicContact CE2-CG1 3.54Å; F468-V500 HydrophobicContact CZ-CG1 3.56Å; V500-P543 WeakPolarHBondContact O-CA 3.44Å; V500-Q544 PolarHBondContact N-O 2.89Å; V500-Q544 PolarHBondContact O-N 2.95Å; V500-A546 HydrophobicContact CG1-CB 4.22Å; V500-A546 HydrophobicContact CG2-CB 4.14Å; V500-C566 HydrophobicContact CG2-CB 4.34Å; V500-F568 HydrophobicContact CG2-CZ 4.19Å; V500-F568 WeakPolarHBondContact O-CE1 3.26Å; V500-F568 VanDerWaalsContact O-CZ 3.29Å; V500-F568 WeakPolarHBondContact O-CZ 3.25Å; V500-I579 HydrophobicContact CB-CG2 3.63Å; V500-I579 HydrophobicContact CG1-CG2 3.83Å; V500-A580 CarbonylContact C-O 3.54Å; V500-A580 VanDerWaalsContact CA-O 3.28Å; V500-A580 WeakPolarHBondContact CA-O 3.39Å; V500-L628 HydrophobicContact CB-CD2 4.12Å; V500-L628 HydrophobicContact CG2-CD2 3.91Å; V500-L630 HydrophobicContact CG1-CD2 4.07Å
501A98.5Very high97.1Very high0 Ų012.9 Ų12.90%07%0.067CC..EExtended strand (participates in β ladder)trans-146.6144.5173.800000111.8L503 I539 P543 I579 A580 Y582A501-L503 PolarHBondContact O-N 2.84Å; A501-I539 HydrophobicContact CB-CG2 3.61Å; A501-P543 HydrophobicContact CB-CB 4.18Å; A501-P543 HydrophobicContact CB-CG 4.03Å; A501-I579 CarbonylContact O-C 3.53Å; A501-I579 WeakPolarHBondContact O-CA 3.33Å; A501-A580 PolarHBondContact N-O 3.01Å; A501-A580 PolarHBondContact O-N 2.86Å; A501-Y582 HydrophobicContact CB-CE2 4.5Å
502P98.4Very high96.7Very high0 Ų012.8 Ų12.80%07%0.066CC..EExtended strand (participates in β ladder)trans-63.5131.3173.8-17.530000111.6L540 F568 V576 I579 I626P502-L540 HydrophobicContact CB-CB 4.27Å; P502-L540 HydrophobicContact CB-CD1 4.27Å; P502-L540 PolarHBondContact O-N 2.85Å; P502-F568 HydrophobicContact CG-CB 3.88Å; P502-F568 HydrophobicContact CG-CD1 4.19Å; P502-F568 HydrophobicContact CG-CD2 3.57Å; P502-F568 HydrophobicContact CG-CE2 4.1Å; P502-F568 HydrophobicContact CG-CG 3.61Å; P502-V576 HydrophobicContact CB-CG1 4.18Å; P502-I579 HydrophobicContact CB-CD1 4.48Å; P502-I626 HydrophobicContact CB-CD1 3.87Å; P502-I626 HydrophobicContact CG-CD1 3.89Å; P502-I626 HydrophobicContact CG-CG2 4.43Å
503L98.3Very high96.1Very high2 Ų214.8 Ų14.81%0.017%0.073CC..EExtended strand (participates in β ladder)trans-112.6128.7-175.1176.570.7000110.5A501 I508 L534 C537 I539 H577 G578 A580 V611A501-L503 PolarHBondContact O-N 2.84Å; L503-I508 HydrophobicContact CD2-CD1 4.26Å; L503-L534 HydrophobicContact CD1-CD1 4.29Å; L503-L534 HydrophobicContact CD1-CD2 4.43Å; L503-L534 HydrophobicContact CD2-CD2 4.27Å; L503-C537 HydrophobicContact CD1-CB 3.7Å; L503-I539 HydrophobicContact CD1-CD1 3.67Å; L503-H577 PolarHBondContact O-N 2.74Å; L503-G578 WeakPolarHBondContact CB-O 3.33Å; L503-G578 PolarHBondContact N-O 2.91Å; L503-G578 PolarHBondContact O-N 3.29Å; L503-A580 HydrophobicContact CB-CB 4.25Å; L503-A580 HydrophobicContact CD1-CB 4.47Å; L503-V611 HydrophobicContact CD2-CB 4.47Å; L503-V611 HydrophobicContact CD2-CG1 3.75Å; L503-V611 HydrophobicContact CD2-CG2 3.86Å
504Q98Very high95.4Very high1 Ų120.2 Ų20.21%0.0059%0.094CC..EExtended strand (participates in β ladder)trans-105.5118.9165174.4170.6-43.800109.5S222 E223 C537 Q538 L540 A574 V575S222-Q504 PolarHBondContact OG-NE2 3.41Å; E223-Q504 PolarHBondContact OE1-NE2 2.74Å; Q504-C537 CarbonylContact O-C 3.4Å; Q504-C537 WeakPolarHBondContact O-CA 3.26Å; Q504-C537 WeakPolarHBondContact O-CB 3.4Å; Q504-Q538 HydrophobicContact CB-CB 4.28Å; Q504-Q538 PolarHBondContact N-O 2.87Å; Q504-Q538 PolarHBondContact O-N 3.1Å; Q504-L540 HydrophobicContact CB-CD1 4.15Å; Q504-L540 HydrophobicContact CB-CD2 3.9Å; Q504-L540 HydrophobicContact CB-CG 4.16Å; Q504-A574 VanDerWaalsContact OE1-CA 3.27Å; Q504-V575 WeakPolarHBondContact CA-O 3.36Å; Q504-V575 WeakPolarHBondContact CB-O 3.39Å; Q504-V575 VanDerWaalsContact CG-O 3.23Å; Q504-V575 WeakPolarHBondContact CG-O 3.14Å
505S97.4Very high94.3Very high0 Ų021 Ų210%010%0.099CC..  trans-160.7106.6169.7177.70000109.4Q507 I508 Y509 N536 H577S505-Q507 PolarHBondContact O-N 2.77Å; S505-I508 PolarHBondContact O-N 2.71Å; S505-I508 WeakPolarHBondContact OG-CG1 3.29Å; S505-I508 PolarHBondContact OG-N 2.89Å; S505-I508 VanDerWaalsContact OG-N 3.14Å; S505-Y509 WeakPolarHBondContact O-CB 3.36Å; S505-Y509 PolarHBondContact O-N 2.83Å; S505-Y509 VanDerWaalsContact O-N 3.11Å; S505-N536 WeakPolarHBondContact CB-O 3.38Å; S505-N536 PolarHBondContact OG-O 3.18Å; S505-H577 PolarHBondContact N-ND1 3.14Å; S505-H577 VanDerWaalsContact N-ND1 3.17Å
506L95.7Very high92.6Very high12 Ų1225.7 Ų25.76%0.06312%0.117CC..Hα-helixtrans-65.9-32.1174.8-178.658.3000110.9W187 T198 P224 Y509 N510W187-L506 HydrophobicContact CZ2-CD2 3.86Å; T198-L506 HydrophobicContact CG2-CD1 4.31Å; T198-L506 HydrophobicContact CG2-CD2 4.24Å; P224-L506 HydrophobicContact CG-CD2 4.26Å; L506-Y509 HydrophobicContact CD1-CD1 4.19Å; L506-Y509 PolarHBondContact O-N 3.19Å; L506-N510 VanDerWaalsContact O-CB 3.23Å; L506-N510 WeakPolarHBondContact O-CB 3.47Å; L506-N510 PolarHBondContact O-N 2.88Å; L506-N510 PolarHBondContact O-ND2 3.41Å
507Q93.9Very high90.5Very high61 Ų6130.2 Ų30.229%0.28514%0.141SC..Hα-helixtrans-60.1-51.6176.4178.861.520.700111.7D304 S505 N510 E511 N536D304-Q507 HydrophobicContact CB-CG 3.9Å; S505-Q507 PolarHBondContact O-N 2.77Å; Q507-N510 PolarHBondContact O-N 3.37Å; Q507-E511 PolarHBondContact O-N 3.14Å; Q507-N536 HydrophobicContact CB-CB 4.36Å
508I94.1Very high88.1Confident5 Ų535.8 Ų35.83%0.02618%0.175CC..Hα-helixtrans-67.2-38.6179.5-67.4171000111.1D304 L306 L503 S505 E511 T512 V532 L534 V611D304-I508 HydrophobicContact CB-CG1 4.39Å; L306-I508 HydrophobicContact CD2-CG2 4.06Å; L503-I508 HydrophobicContact CD2-CD1 4.26Å; S505-I508 PolarHBondContact O-N 2.71Å; S505-I508 WeakPolarHBondContact OG-CG1 3.29Å; S505-I508 PolarHBondContact OG-N 2.89Å; S505-I508 VanDerWaalsContact OG-N 3.14Å; I508-E511 PolarHBondContact O-N 3.24Å; I508-T512 WeakPolarHBondContact O-CB 3.35Å; I508-T512 PolarHBondContact O-N 2.9Å; I508-T512 PolarHBondContact O-OG1 3.35Å; I508-V532 HydrophobicContact CD1-CG1 3.98Å; I508-V532 HydrophobicContact CG1-CG1 4.3Å; I508-L534 HydrophobicContact CD1-CD2 3.39Å; I508-V611 HydrophobicContact CG2-CG1 4.21Å
509Y94.1Very high85.9Confident21 Ų2139.8 Ų39.88%0.08220%0.2CC..Hα-helixtrans-59.5-48.5174.7178.3-103.3000111.9S505 L506 T512 R513 M526 H577 E615 P617S505-Y509 WeakPolarHBondContact O-CB 3.36Å; S505-Y509 PolarHBondContact O-N 2.83Å; S505-Y509 VanDerWaalsContact O-N 3.11Å; L506-Y509 HydrophobicContact CD1-CD1 4.19Å; L506-Y509 PolarHBondContact O-N 3.19Å; Y509-T512 PolarHBondContact O-N 3.41Å; Y509-R513 WeakPolarHBondContact O-CB 3.44Å; Y509-R513 PolarHBondContact O-N 3.36Å; Y509-M526 HydrophobicContact CD2-CE 3.97Å; Y509-M526 HydrophobicContact CE2-CE 3.61Å; Y509-M526 HydrophobicContact CE2-SD 4.31Å; Y509-H577 VanDerWaalsContact CB-CD2 3.48Å; Y509-H577 WeakPolarHBondContact CB-CD2 3.47Å; Y509-H577 AromaticContact CG-CD2 3.68Å; Y509-E615 PolarHBondContact OH-O 2.89Å; Y509-P617 HydrophobicContact CD1-CG 4.3Å; Y509-P617 HydrophobicContact CD2-CG 4.48Å; Y509-P617 HydrophobicContact CE1-CG 3.88Å; Y509-P617 HydrophobicContact CE2-CG 4.09Å
510N92.1Very high83.5Confident3 Ų345.3 Ų45.32%0.01623%0.231CC..Hα-helixtrans-60.2-45.7177.1-81.4-14.7000111.8T198 D199 L506 Q507 T512 R513 R514T198-N510 PolarHBondContact OG1-ND2 3.39Å; T198-N510 PolarHBondContact OG1-OD1 3.07Å; D199-N510 WeakPolarHBondContact OD1-CB 3.49Å; D199-N510 PolarHBondContact OD1-ND2 3.19Å; D199-N510 VanDerWaalsContact OD1-ND2 3.1Å; L506-N510 VanDerWaalsContact O-CB 3.23Å; L506-N510 WeakPolarHBondContact O-CB 3.47Å; L506-N510 PolarHBondContact O-N 2.88Å; L506-N510 PolarHBondContact O-ND2 3.41Å; Q507-N510 PolarHBondContact O-N 3.37Å; N510-T512 VanDerWaalsContact C-N 3.34Å; N510-T512 PolarHBondContact O-N 3.11Å; N510-R513 WeakPolarHBondContact O-CB 3.24Å; N510-R513 PolarHBondContact O-N 2.82Å; N510-R514 WeakPolarHBondContact O-CG 3.38Å; N510-R514 PolarHBondContact O-N 3.14Å
511E90.7Very high81Confident53 Ų5352.5 Ų52.525%0.24826%0.258CS..Hα-helixtrans-61.7-42.9177.6-165.164.4-174.700111.4L306 Q507 I508 R513 R514 S515L306-E511 HydrophobicContact CD1-CB 4.12Å; L306-E511 HydrophobicContact CD1-CG 3.89Å; L306-E511 HydrophobicContact CG-CB 4.21Å; L306-E511 HydrophobicContact CG-CG 3.79Å; Q507-E511 PolarHBondContact O-N 3.14Å; I508-E511 PolarHBondContact O-N 3.24Å; E511-R513 VanDerWaalsContact C-N 3.28Å; E511-R513 PolarHBondContact O-N 3.01Å; E511-R514 PolarHBondContact O-N 3.02Å; E511-R514 VanDerWaalsContact O-N 3.17Å; E511-R514 IonicContact OE2-CZ 3.9Å; E511-R514 IonicContact OE2-NH1 3.31Å; E511-R514 PolarHBondContact OE2-NH1 3.07Å; E511-S515 PolarHBondContact O-N 3.31Å; E511-S515 PolarHBondContact O-OG 3.35Å; E511-S515 VanDerWaalsContact O-OG 3.13Å
512T90.3Very high78.6Confident0 Ų057.9 Ų57.90%029%0.291CS..Hα-helixtrans-62.5-38.1176.6-50.10000111.2I508 Y509 N510 S515 S525 M526 Y530 P613I508-T512 WeakPolarHBondContact O-CB 3.35Å; I508-T512 PolarHBondContact O-N 2.9Å; I508-T512 PolarHBondContact O-OG1 3.35Å; Y509-T512 PolarHBondContact O-N 3.41Å; N510-T512 VanDerWaalsContact C-N 3.34Å; N510-T512 PolarHBondContact O-N 3.11Å; T512-S515 PolarHBondContact O-N 3.01Å; T512-S525 WeakPolarHBondContact CG2-O 3.44Å; T512-S525 VanDerWaalsContact O-CB 3.28Å; T512-S525 WeakPolarHBondContact O-CB 3.45Å; T512-S525 PolarHBondContact O-OG 2.85Å; T512-M526 HydrophobicContact CG2-CE 4.09Å; T512-M526 HydrophobicContact CG2-CG 4.24Å; T512-M526 HydrophobicContact CG2-SD 3.36Å; T512-M526 WeakPolarHBondContact CG2-SD 3.44Å; T512-Y530 HydrophobicContact CG2-CE2 3.94Å; T512-P613 HydrophobicContact CG2-CB 3.97Å; T512-P613 HydrophobicContact CG2-CG 3.98Å
513R87.3Confident76.6Confident41 Ų4158.8 Ų58.816%0.15530%0.3CS..Hα-helixtrans-69.5-32.3177.7-168.6177.867175.5-7.7113.1A195 T198 D199 Y509 N510 E511 K516 M526A195-R513 VanDerWaalsContact O-CZ 3.24Å; A195-R513 PolarHBondContact O-NH1 3.45Å; A195-R513 PolarHBondContact O-NH2 2.88Å; T198-R513 PolarHBondContact OG1-NH2 3.14Å; T198-R513 VanDerWaalsContact OG1-NH2 3.15Å; D199-R513 IonicContact OD2-NH2 2.96Å; Y509-R513 WeakPolarHBondContact O-CB 3.44Å; Y509-R513 PolarHBondContact O-N 3.36Å; N510-R513 WeakPolarHBondContact O-CB 3.24Å; N510-R513 PolarHBondContact O-N 2.82Å; E511-R513 VanDerWaalsContact C-N 3.28Å; E511-R513 PolarHBondContact O-N 3.01Å; R513-K516 WeakPolarHBondContact O-CG 3.44Å; R513-M526 HydrophobicContact CB-CE 3.6Å; R513-M526 HydrophobicContact CG-CE 4.25Å
514R82.9Confident75.5Confident115 Ų11562 Ų6243%0.43431%0.313SS..Hα-helixtrans-75-30.4175.9-70.6175.2-162.8160.7-1.1112.4D199 N510 E511 K516D199-R514 IonicContact OD1-CZ 2.76Å; D199-R514 IonicContact OD1-NE 2.69Å; D199-R514 PolarHBondContact OD1-NE 3Å; D199-R514 IonicContact OD1-NH2 3.8Å; D199-R514 PolarHBondContact OD1-NH2 3.33Å; D199-R514 IonicContact OD2-CZ 3.76Å; D199-R514 IonicContact OD2-NE 3.06Å; D199-R514 PolarHBondContact OD2-NE 3.44Å; D199-R514 IonicContact OD2-NH2 2.79Å; N510-R514 WeakPolarHBondContact O-CG 3.38Å; N510-R514 PolarHBondContact O-N 3.14Å; E511-R514 PolarHBondContact O-N 3.02Å; E511-R514 VanDerWaalsContact O-N 3.17Å; E511-R514 IonicContact OE2-CZ 3.9Å; E511-R514 IonicContact OE2-NH1 3.31Å; E511-R514 PolarHBondContact OE2-NH1 3.07Å; R514-K516 PolarHBondContact O-N 3.49Å
515S76.7Confident74.9Confident48 Ų4862.4 Ų62.434%0.33632%0.315SS..  trans-67.751.9172.7-61.50000112.2E511 T512 D517 S525E511-S515 PolarHBondContact O-N 3.31Å; E511-S515 PolarHBondContact O-OG 3.35Å; E511-S515 VanDerWaalsContact O-OG 3.13Å; T512-S515 PolarHBondContact O-N 3.01Å; S515-D517 PolarHBondContact O-N 2.85Å; S515-S525 WeakPolarHBondContact O-CB 3.46Å; S515-S525 PolarHBondContact O-OG 3.45Å
516K63.1Low74.6Confident124 Ų12462.9 Ų62.954%0.53932%0.318SS..  trans-81.9115.1167-73178.9-176.3-178.50107.1R513 R514 V518R513-K516 WeakPolarHBondContact O-CG 3.44Å; R514-K516 PolarHBondContact O-N 3.49Å; K516-V518 PolarHBondContact O-N 3.37Å
517D54.5Low74.5Confident95 Ų9562.9 Ų62.951%0.50832%0.317SS..  trans-55.4134170.4-172.15.2000109.3S515 T519 N520S515-D517 PolarHBondContact O-N 2.85Å; D517-T519 PolarHBondContact O-N 2.96Å; D517-T519 PolarHBondContact OD1-N 2.78Å; D517-T519 WeakPolarHBondContact OD2-CG2 3.33Å; D517-T519 PolarHBondContact OD2-OG1 2.89Å; D517-N520 PolarHBondContact O-N 3.36Å
518V48.7Very low74.4Confident139 Ų13960.7 Ų60.784%0.84231%0.308SS*.THydrogen-bonded Turntrans-59.4-14.8-179.6-173.30000110.7K516 N520K516-V518 PolarHBondContact O-N 3.37Å; V518-N520 PolarHBondContact O-N 3.36Å
519T52.5Low74.5Confident85 Ų8560.5 Ų60.552%0.52131%0.307SS..THydrogen-bonded Turntrans-70.611.2175.868.10000115.5D517 R521D517-T519 PolarHBondContact O-N 2.96Å; D517-T519 PolarHBondContact OD1-N 2.78Å; D517-T519 WeakPolarHBondContact OD2-CG2 3.33Å; D517-T519 PolarHBondContact OD2-OG1 2.89Å; T519-R521 PolarHBondContact O-N 3.29Å; T519-R521 VanDerWaalsContact O-N 3.11Å
520N47.1Very low74.7Confident147 Ų14760.3 Ų60.379%0.78631%0.306SS*.  trans63.513.6170.7-102.5-12.5000115.7D517 V518 V522D517-N520 PolarHBondContact O-N 3.36Å; V518-N520 PolarHBondContact O-N 3.36Å; N520-V522 PolarHBondContact O-N 2.68Å
521R47.1Very low74.9Confident151 Ų15161 Ų6157%0.5731%0.311SS*.  trans-91.889.7171.9-51.4-163.7-177.3176.52.3110.3T519 G523 Y524T519-R521 PolarHBondContact O-N 3.29Å; T519-R521 VanDerWaalsContact O-N 3.11Å; R521-G523 PolarHBondContact O-N 2.92Å; R521-Y524 HydrophobicContact CB-CD2 3.26Å; R521-Y524 HydrophobicContact CB-CE2 3.12Å; R521-Y524 HydrophobicContact CB-CG 4.28Å; R521-Y524 VanDerWaalsContact CD-CE2 3.4Å; R521-Y524 VanDerWaalsContact CD-OH 3.3Å; R521-Y524 WeakPolarHBondContact CD-OH 3.48Å; R521-Y524 HydrophobicContact CG-CD2 4.38Å; R521-Y524 HydrophobicContact CG-CE2 3.91Å; R521-Y524 PolarHBondContact NH1-OH 3.48Å; R521-Y524 VanDerWaalsContact O-CD2 3.32Å; R521-Y524 WeakPolarHBondContact O-CD2 2.93Å
522V47Very low75.1Confident112 Ų11258.5 Ų58.568%0.67930%0.299SS*.THydrogen-bonded Turntrans-61.6116178.5-1730000108.9N520N520-V522 PolarHBondContact O-N 2.68Å
523G57.2Low75.4Confident19 Ų1960.7 Ų60.720%0.19631%0.307CS..THydrogen-bonded Turntrans119.9-8.1170.500000117.1R521 S525 M526R521-G523 PolarHBondContact O-N 2.92Å; G523-S525 VanDerWaalsContact C-N 3.32Å; G523-S525 PolarHBondContact O-N 3.48Å; G523-M526 PolarHBondContact O-N 2.8Å
524Y75.6Confident75.7Confident71 Ų7159.5 Ų59.528%0.27830%0.304SS..SBendtrans-67-32.2-176.8-77.8-106.7000112.7R521 M526 E527 T528 V660R521-Y524 HydrophobicContact CB-CD2 3.26Å; R521-Y524 HydrophobicContact CB-CE2 3.12Å; R521-Y524 HydrophobicContact CB-CG 4.28Å; R521-Y524 VanDerWaalsContact CD-CE2 3.4Å; R521-Y524 VanDerWaalsContact CD-OH 3.3Å; R521-Y524 WeakPolarHBondContact CD-OH 3.48Å; R521-Y524 HydrophobicContact CG-CD2 4.38Å; R521-Y524 HydrophobicContact CG-CE2 3.91Å; R521-Y524 PolarHBondContact NH1-OH 3.48Å; R521-Y524 VanDerWaalsContact O-CD2 3.32Å; R521-Y524 WeakPolarHBondContact O-CD2 2.93Å; Y524-M526 PolarHBondContact O-N 2.67Å; Y524-E527 PolarHBondContact O-N 3.25Å; Y524-T528 PolarHBondContact O-N 3.23Å; Y524-T528 PolarHBondContact O-OG1 3Å; Y524-V660 HydrophobicContact CD1-CB 3.89Å; Y524-V660 HydrophobicContact CD1-CG1 3.65Å; Y524-V660 HydrophobicContact CD1-CG2 3.62Å; Y524-V660 HydrophobicContact CE1-CB 4.29Å; Y524-V660 HydrophobicContact CE1-CG2 3.8Å; Y524-V660 HydrophobicContact CG-CG1 4.12Å; Y524-V660 HydrophobicContact CG-CG2 4.12Å; Y524-V660 WeakPolarHBondContact O-CG1 3.35Å
525S85.5Confident76.3Confident8 Ų856.7 Ų56.76%0.05629%0.294CS..G310 helixtrans-66.4-38.5177.156.30000113.1T512 S515 G523 E527 T528 Y530T512-S525 WeakPolarHBondContact CG2-O 3.44Å; T512-S525 VanDerWaalsContact O-CB 3.28Å; T512-S525 WeakPolarHBondContact O-CB 3.45Å; T512-S525 PolarHBondContact O-OG 2.85Å; S515-S525 WeakPolarHBondContact O-CB 3.46Å; S515-S525 PolarHBondContact O-OG 3.45Å; G523-S525 VanDerWaalsContact C-N 3.32Å; G523-S525 PolarHBondContact O-N 3.48Å; S525-E527 PolarHBondContact O-N 3.05Å; S525-E527 VanDerWaalsContact O-N 3.14Å; S525-T528 PolarHBondContact O-N 3Å; S525-Y530 VanDerWaalsContact CA-OH 3.23Å; S525-Y530 WeakPolarHBondContact CA-OH 3.45Å; S525-Y530 VanDerWaalsContact CB-OH 3.27Å; S525-Y530 WeakPolarHBondContact CB-OH 3.36Å; S525-Y530 VanDerWaalsContact O-CE2 3.28Å; S525-Y530 WeakPolarHBondContact O-CE2 3.28Å; S525-Y530 PolarHBondContact O-OH 2.93Å
526M90.3Very high77.1Confident11 Ų1155.1 Ų55.15%0.05428%0.281CS..G310 helixtrans-72.9-4.9-179.7-65-64.5-172.400113.6Y509 T512 R513 G523 Y524 P613 F614 E615 H654Y509-M526 HydrophobicContact CD2-CE 3.97Å; Y509-M526 HydrophobicContact CE2-CE 3.61Å; Y509-M526 HydrophobicContact CE2-SD 4.31Å; T512-M526 HydrophobicContact CG2-CE 4.09Å; T512-M526 HydrophobicContact CG2-CG 4.24Å; T512-M526 HydrophobicContact CG2-SD 3.36Å; T512-M526 WeakPolarHBondContact CG2-SD 3.44Å; R513-M526 HydrophobicContact CB-CE 3.6Å; R513-M526 HydrophobicContact CG-CE 4.25Å; G523-M526 PolarHBondContact O-N 2.8Å; Y524-M526 PolarHBondContact O-N 2.67Å; M526-P613 HydrophobicContact SD-CB 4.21Å; M526-F614 VanDerWaalsContact SD-O 3.33Å; M526-E615 HydrophobicContact CB-CB 4.36Å; M526-H654 PolarHBondContact O-CD2 3.41Å; M526-H654 VanDerWaalsContact O-CD2 3.32Å
527E92.9Very high78.7Confident11 Ų1150.3 Ų50.35%0.05126%0.263CS..G310 helixtrans-120.417.7176.7-66.8-172.2-151.500112Y524 S525 W643 K652 H654 N655 H659 V660Y524-E527 PolarHBondContact O-N 3.25Å; S525-E527 PolarHBondContact O-N 3.05Å; S525-E527 VanDerWaalsContact O-N 3.14Å; E527-W643 WeakPolarHBondContact O-CH2 3.17Å; E527-K652 WeakPolarHBondContact OE1-CE 3.31Å; E527-K652 IonicContact OE1-NZ 3.6Å; E527-K652 PolarHBondContact OE1-NZ 2.95Å; E527-H654 HydrophobicContact CG-CB 4.18Å; E527-N655 HydrophobicContact CB-CB 4.34Å; E527-N655 WeakPolarHBondContact OE2-CA 3.29Å; E527-N655 PolarHBondContact OE2-N 3.03Å; E527-H659 IonicContact OE2-CE1 3.72Å; E527-H659 PolarHBondContact OE2-CE1 3.44Å; E527-H659 IonicContact OE2-ND1 2.85Å; E527-H659 IonicContact OE2-NE2 2.83Å; E527-H659 PolarHBondContact OE2-NE2 2.95Å; E527-V660 HydrophobicContact CB-CB 3.99Å; E527-V660 HydrophobicContact CB-CG1 3.93Å; E527-V660 HydrophobicContact CB-CG2 3.83Å
528T93.4Very high80.7Confident15 Ų1547 Ų479%0.09224%0.244CC..SBendtrans-114.6131.4175.9-62.40000109.3Y524 S525 Y530 P613 V660 Y661Y524-T528 PolarHBondContact O-N 3.23Å; Y524-T528 PolarHBondContact O-OG1 3Å; S525-T528 PolarHBondContact O-N 3Å; T528-Y530 HydrophobicContact CG2-CE1 4.05Å; T528-Y530 HydrophobicContact CG2-CE2 4.33Å; T528-Y530 VanDerWaalsContact O-CD2 3.25Å; T528-Y530 WeakPolarHBondContact O-CD2 3.09Å; T528-Y530 WeakPolarHBondContact O-CE2 3.47Å; T528-P613 WeakPolarHBondContact O-CD 3.47Å; T528-P613 WeakPolarHBondContact O-CG 3.5Å; T528-V660 WeakPolarHBondContact OG1-CG1 3.26Å; T528-Y661 HydrophobicContact CG2-CD2 3.89Å; T528-Y661 HydrophobicContact CG2-CE2 4.4Å; T528-Y661 HydrophobicContact CG2-CG 4.48Å
529P96.3Very high83Confident1 Ų143.1 Ų43.11%0.00622%0.218CC..  trans-75.1143.8170.530.5-32.8000111.2P309 L610 V611 F612 Y661P309-P529 WeakPolarHBondContact CD-O 3.44Å; P309-P529 WeakPolarHBondContact CG-O 3.37Å; P529-L610 HydrophobicContact CB-CD1 4.14Å; P529-L610 HydrophobicContact CB-CD2 3.94Å; P529-L610 HydrophobicContact CB-CG 4.04Å; P529-V611 CarbonylContact C-O 3.59Å; P529-V611 WeakPolarHBondContact CA-O 3.15Å; P529-F612 HydrophobicContact CB-CD1 3.92Å; P529-F612 HydrophobicContact CB-CE1 3.9Å; P529-F612 HydrophobicContact CG-CE1 4.46Å; P529-Y661 HydrophobicContact CG-CD1 3.78Å; P529-Y661 HydrophobicContact CG-CE1 3.59Å; P529-Y661 HydrophobicContact CG-CE2 4.49Å; P529-Y661 HydrophobicContact CG-CG 4.31Å
530Y96.8Very high85.1Confident17 Ų1740 Ų407%0.06720%0.199CC..EExtended strand (participates in β ladder)trans-124.8143.4-179.8-64.3-78.5000112.2L306 Q307 T512 S525 T528 L610 V611 P613L306-Y530 HydrophobicContact CB-CD1 3.89Å; L306-Y530 HydrophobicContact CB-CE1 4.39Å; L306-Y530 HydrophobicContact CB-CG 4.09Å; L306-Y530 HydrophobicContact CD1-CD2 4.27Å; L306-Y530 HydrophobicContact CD1-CE2 4.28Å; L306-Y530 HydrophobicContact CD1-CG 4.39Å; L306-Y530 HydrophobicContact CD2-CD2 4.22Å; L306-Y530 HydrophobicContact CD2-CG 4.04Å; L306-Y530 HydrophobicContact CG-CG 4.4Å; Q307-Y530 CarbonylContact O-C 3.57Å; Q307-Y530 WeakPolarHBondContact O-CA 3.22Å; T512-Y530 HydrophobicContact CG2-CE2 3.94Å; S525-Y530 VanDerWaalsContact CA-OH 3.23Å; S525-Y530 WeakPolarHBondContact CA-OH 3.45Å; S525-Y530 VanDerWaalsContact CB-OH 3.27Å; S525-Y530 WeakPolarHBondContact CB-OH 3.36Å; S525-Y530 VanDerWaalsContact O-CE2 3.28Å; S525-Y530 WeakPolarHBondContact O-CE2 3.28Å; S525-Y530 PolarHBondContact O-OH 2.93Å; T528-Y530 HydrophobicContact CG2-CE1 4.05Å; T528-Y530 HydrophobicContact CG2-CE2 4.33Å; T528-Y530 VanDerWaalsContact O-CD2 3.25Å; T528-Y530 WeakPolarHBondContact O-CD2 3.09Å; T528-Y530 WeakPolarHBondContact O-CE2 3.47Å; Y530-L610 CarbonylContact O-C 3.56Å; Y530-L610 VanDerWaalsContact O-CA 3.31Å; Y530-L610 WeakPolarHBondContact O-CA 3.49Å; Y530-V611 PolarHBondContact N-O 3.06Å; Y530-V611 PolarHBondContact O-N 3.03Å; Y530-P613 HydrophobicContact CD2-CG 4.42Å; Y530-P613 HydrophobicContact CE2-CG 4.34Å
531V97.1Very high87.4Confident19 Ų1934.4 Ų34.412%0.11517%0.171CC..EExtended strand (participates in β ladder)trans-81.5124.6165.5176.50000108.1Q307 P309 F608 P609 L610Q307-V531 HydrophobicContact CB-CB 4.33Å; Q307-V531 WeakPolarHBondContact CB-O 3.15Å; Q307-V531 PolarHBondContact N-O 2.86Å; Q307-V531 PolarHBondContact O-N 2.86Å; P309-V531 HydrophobicContact CB-CG2 4.03Å; P309-V531 HydrophobicContact CG-CG2 4.09Å; V531-F608 HydrophobicContact CG1-CB 3.76Å; V531-F608 HydrophobicContact CG1-CD2 4.39Å; V531-P609 WeakPolarHBondContact CA-O 3.39Å; V531-L610 HydrophobicContact CG2-CD1 3.97Å
532V95.9Very high89.8Confident0 Ų031.2 Ų31.20%017%0.172CC..  trans-141.3128.3-173.3-169.30000111.1L306 I508 L534 P609 V611L306-V532 HydrophobicContact CD2-CG2 3.58Å; I508-V532 HydrophobicContact CD1-CG1 3.98Å; I508-V532 HydrophobicContact CG1-CG1 4.3Å; V532-L534 HydrophobicContact CB-CD2 4.13Å; V532-L534 HydrophobicContact CG1-CD2 4.11Å; V532-L534 PolarHBondContact O-N 2.85Å; V532-P609 PolarHBondContact N-O 3.35Å; V532-P609 WeakPolarHBondContact O-CD 3.29Å; V532-V611 HydrophobicContact CB-CG2 4.07Å; V532-V611 HydrophobicContact CG2-CB 4.23Å; V532-V611 HydrophobicContact CG2-CG2 3.85Å
533R94.9Very high92.2Very high45 Ų4526.5 Ų26.517%0.1714%0.143CC..BIsolated β-bridgetrans-74.690.4167.6175.964.4-174101-1.4109.3Y295 S299 E303 D304 R535 F608Y295-R533 VanDerWaalsContact CE1-NH2 3.28Å; Y295-R533 VanDerWaalsContact OH-CD 3.29Å; Y295-R533 WeakPolarHBondContact OH-CD 3.33Å; S299-R533 PolarHBondContact OG-NE 3.41Å; E303-R533 HydrophobicContact CB-CG 4.46Å; E303-R533 HydrophobicContact CG-CG 4.09Å; D304-R533 PolarHBondContact N-O 2.96Å; R533-R535 PolarHBondContact O-N 3.48Å; R533-F608 HydrophobicContact CB-CD1 4.14Å; R533-F608 HydrophobicContact CB-CD2 3.74Å; R533-F608 HydrophobicContact CB-CE1 4.24Å; R533-F608 HydrophobicContact CB-CE2 3.84Å; R533-F608 HydrophobicContact CB-CG 3.9Å; R533-F608 HydrophobicContact CB-CZ 4.1Å; R533-F608 HydrophobicContact CG-CD1 4.49Å; R533-F608 HydrophobicContact CG-CE1 4.34Å; R533-F608 HydrophobicContact CG-CZ 4.41Å
534L95Very high94.2Very high16 Ų1628.5 Ų28.58%0.08415%0.147CC..  trans-61.1122-177.1-60.3-176.8000112.3L503 I508 V532 I539 A580 P609 V611L503-L534 HydrophobicContact CD1-CD1 4.29Å; L503-L534 HydrophobicContact CD1-CD2 4.43Å; L503-L534 HydrophobicContact CD2-CD2 4.27Å; I508-L534 HydrophobicContact CD1-CD2 3.39Å; V532-L534 HydrophobicContact CB-CD2 4.13Å; V532-L534 HydrophobicContact CG1-CD2 4.11Å; V532-L534 PolarHBondContact O-N 2.85Å; L534-I539 HydrophobicContact CD1-CD1 4.27Å; L534-A580 HydrophobicContact CD1-CB 4.15Å; L534-P609 HydrophobicContact CD1-CB 3.85Å; L534-P609 HydrophobicContact CD1-CG 3.95Å; L534-P609 HydrophobicContact CG-CB 4.11Å; L534-P609 HydrophobicContact CG-CG 4.09Å; L534-V611 HydrophobicContact CD2-CG2 3.82Å
535R93.8Very high95.3Very high57 Ų5728.5 Ų28.522%0.21516%0.156CC..  trans-133.9-61.8178.5174.2-176.9-178.3176.37.3112K258 L259 N260 E303 D304 R533 C537K258-R535 PolarHBondContact O-NE 3.06Å; K258-R535 PolarHBondContact O-NH2 3.19Å; L259-R535 HydrophobicContact CD2-CG 3.7Å; N260-R535 PolarHBondContact ND2-NH1 2.94Å; N260-R535 PolarHBondContact ND2-NH2 2.89Å; N260-R535 PolarHBondContact OD1-NH2 3.22Å; E303-R535 HydrophobicContact CB-CB 3.92Å; E303-R535 VanDerWaalsContact CB-CD 3.41Å; E303-R535 HydrophobicContact CB-CG 4.33Å; E303-R535 IonicContact OE1-NH1 3.6Å; E303-R535 PolarHBondContact OE1-NH1 2.91Å; E303-R535 IonicContact OE2-NH1 3.69Å; D304-R535 PolarHBondContact OD1-N 3.29Å; R533-R535 PolarHBondContact O-N 3.48Å; R535-C537 PolarHBondContact O-N 3.45Å; R535-C537 VanDerWaalsContact O-N 3.16Å
536N95.3Very high95.9Very high15 Ų1528.9 Ų28.98%0.0816%0.16CC..SBendtrans-86.677176.4-170.1-37.2000109.9F221 S222 E223 L259 D304 S505 Q507F221-N536 CarbonylContact O-C 3.58Å; F221-N536 WeakPolarHBondContact O-CA 3.14Å; F221-N536 PolarHBondContact O-OD1 3.42Å; S222-N536 WeakPolarHBondContact CA-OD1 3.13Å; S222-N536 PolarHBondContact O-OD1 2.96Å; E223-N536 PolarHBondContact N-OD1 3.49Å; E223-N536 PolarHBondContact O-ND2 3.45Å; E223-N536 PolarHBondContact O-OD1 3.29Å; L259-N536 HydrophobicContact CD2-CB 4.28Å; D304-N536 PolarHBondContact OD1-N 2.75Å; D304-N536 VanDerWaalsContact OD1-N 3.14Å; D304-N536 VanDerWaalsContact OD2-CB 3.23Å; D304-N536 WeakPolarHBondContact OD2-CB 3.36Å; D304-N536 PolarHBondContact OD2-N 2.7Å; S505-N536 WeakPolarHBondContact CB-O 3.38Å; S505-N536 PolarHBondContact OG-O 3.18Å; Q507-N536 HydrophobicContact CB-CB 4.36Å
537C96.8Very high96.3Very high23 Ų2328.5 Ų28.516%0.15516%0.158CC..  trans-156.8170.4-176.673.80000114F221 L503 Q504 R535F221-C537 PolarHBondContact O-N 3.08Å; L503-C537 HydrophobicContact CD1-CB 3.7Å; Q504-C537 CarbonylContact O-C 3.4Å; Q504-C537 WeakPolarHBondContact O-CA 3.26Å; Q504-C537 WeakPolarHBondContact O-CB 3.4Å; R535-C537 PolarHBondContact O-N 3.45Å; R535-C537 VanDerWaalsContact O-N 3.16Å
538Q95.8Very high96.6Very high24 Ų2430.9 Ų30.911%0.11217%0.173CC..EExtended strand (participates in β ladder)trans-129.3136.8164.3-77.7-164.1-21.300111S218 R219 Q504 L540S218-Q538 PolarHBondContact O-NE2 3.04Å; S218-Q538 PolarHBondContact OG-NE2 3.43Å; R219-Q538 VanDerWaalsContact CA-NE2 3.29Å; R219-Q538 VanDerWaalsContact N-NE2 3.18Å; Q504-Q538 HydrophobicContact CB-CB 4.28Å; Q504-Q538 PolarHBondContact N-O 2.87Å; Q504-Q538 PolarHBondContact O-N 3.1Å; Q538-L540 HydrophobicContact CB-CD2 4.1Å
539I96.7Very high96.8Very high58 Ų5830.4 Ų30.430%0.29717%0.17SC..EExtended strand (participates in β ladder)trans-91.9111.4166.1-55-53.2000107.2A501 L503 L534 S541 A580 Y582A501-I539 HydrophobicContact CB-CG2 3.61Å; L503-I539 HydrophobicContact CD1-CD1 3.67Å; L534-I539 HydrophobicContact CD1-CD1 4.27Å; I539-S541 VanDerWaalsContact C-N 3.31Å; I539-S541 VanDerWaalsContact CG2-O 3.28Å; I539-S541 WeakPolarHBondContact CG2-O 3.16Å; I539-S541 PolarHBondContact O-N 2.86Å; I539-A580 HydrophobicContact CD1-CB 3.89Å; I539-Y582 WeakPolarHBondContact CD1-OH 3.44Å
540L96.3Very high96.9Very high21 Ų2135.6 Ų35.611%0.1119%0.194CC..  trans-80.5-12.8-165.7-58.8176.6000113.8P502 Q504 Q538 I570 A574 V576P502-L540 HydrophobicContact CB-CB 4.27Å; P502-L540 HydrophobicContact CB-CD1 4.27Å; P502-L540 PolarHBondContact O-N 2.85Å; Q504-L540 HydrophobicContact CB-CD1 4.15Å; Q504-L540 HydrophobicContact CB-CD2 3.9Å; Q504-L540 HydrophobicContact CB-CG 4.16Å; Q538-L540 HydrophobicContact CB-CD2 4.1Å; L540-I570 HydrophobicContact CB-CD1 3.88Å; L540-I570 HydrophobicContact CD1-CD1 4.45Å; L540-A574 HydrophobicContact CD1-CB 3.84Å; L540-A574 HydrophobicContact CD2-CB 3.7Å; L540-A574 HydrophobicContact CG-CB 4.4Å; L540-V576 HydrophobicContact CD1-CG2 3.97Å
541S96.1Very high97Very high29 Ų2935.4 Ų35.420%0.20319%0.194CC..SBendtrans-157.7155.1177.8-161.50000110I539I539-S541 VanDerWaalsContact C-N 3.31Å; I539-S541 VanDerWaalsContact CG2-O 3.28Å; I539-S541 WeakPolarHBondContact CG2-O 3.16Å; I539-S541 PolarHBondContact O-N 2.86Å
542S96.4Very high97Very high83 Ų8337 Ų3758%0.5821%0.205SC*.  trans-56.9135.4177.5-620000111.1Q544S542-Q544 PolarHBondContact O-N 2.88Å
543P98.3Very high97.1Very high13 Ų1337.7 Ų37.78%0.08421%0.208CC..  trans-57.6135.6179-22.731.2000113.1Y499 V500 A501 Y582 P597Y499-P543 HydrophobicContact CD1-CB 4.46Å; V500-P543 WeakPolarHBondContact O-CA 3.44Å; A501-P543 HydrophobicContact CB-CB 4.18Å; A501-P543 HydrophobicContact CB-CG 4.03Å; P543-Y582 HydrophobicContact CB-CD2 4.19Å; P543-Y582 HydrophobicContact CB-CE2 4.39Å; P543-Y582 HydrophobicContact CG-CD2 4.12Å; P543-Y582 HydrophobicContact CG-CE2 3.93Å; P543-P597 HydrophobicContact CG-CG 3.75Å
544Q98.6Very high97.1Very high61 Ų6144.9 Ų44.929%0.28524%0.24SC..EExtended strand (participates in β ladder)trans-106.9147176.6-72.3-178.122.200110.7Y499 V500 S542 S567 F568Y499-Q544 CarbonylContact C-O 3.52Å; Y499-Q544 WeakPolarHBondContact CA-O 3.44Å; V500-Q544 PolarHBondContact N-O 2.89Å; V500-Q544 PolarHBondContact O-N 2.95Å; S542-Q544 PolarHBondContact O-N 2.88Å; Q544-S567 PolarHBondContact NE2-O 3.45Å; Q544-F568 HydrophobicContact CB-CE1 3.91Å; Q544-F568 HydrophobicContact CB-CZ 4.15Å; Q544-F568 HydrophobicContact CG-CD1 4.28Å; Q544-F568 HydrophobicContact CG-CE1 3.67Å; Q544-F568 HydrophobicContact CG-CZ 4.33Å
545P98.5Very high97.1Very high72 Ų7247.9 Ų47.947%0.46826%0.256SS..EExtended strand (participates in β ladder)trans-63.9140.3177.227.8-34.7000111T497 S498 Y499T497-P545 HydrophobicContact CG2-CB 3.79Å; S498-P545 CarbonylContact O-C 3.6Å; S498-P545 WeakPolarHBondContact O-CA 3.34Å; Y499-P545 HydrophobicContact CD1-CB 4.27Å; Y499-P545 HydrophobicContact CE1-CB 3.89Å; Y499-P545 HydrophobicContact CE1-CG 4.47Å
546A98.6Very high97.1Very high15 Ų1548.6 Ų48.612%0.12426%0.264CS..EExtended strand (participates in β ladder)trans-110.8-78179.100000111.4F468 S498 V500 V564 L630F468-A546 HydrophobicContact CZ-CB 4.2Å; S498-A546 PolarHBondContact O-N 3.06Å; S498-A546 WeakPolarHBondContact OG-CB 3.4Å; V500-A546 HydrophobicContact CG1-CB 4.22Å; V500-A546 HydrophobicContact CG2-CB 4.14Å; A546-V564 HydrophobicContact CB-CG1 4.03Å; A546-L630 HydrophobicContact CB-CD2 4.33Å
547F98.7Very high97.1Very high3 Ų354.9 Ų54.91%0.01330%0.298CS..EExtended strand (participates in β ladder)trans-121.6132-175.5-52.2-41000111.7F468 T497 S498 F549 R562 V564 L630 R632 Y641F468-F547 HydrophobicContact CE1-CD2 4.13Å; F468-F547 HydrophobicContact CE1-CE2 4.19Å; T497-F547 CarbonylContact C-O 3.59Å; T497-F547 VanDerWaalsContact CA-O 3.24Å; T497-F547 WeakPolarHBondContact CA-O 3.32Å; S498-F547 PolarHBondContact N-O 3.4Å; S498-F547 WeakPolarHBondContact OG-CB 3.47Å; S498-F547 PolarHBondContact OG-N 3.01Å; S498-F547 PolarHBondContact OG-O 2.75Å; F547-F549 HydrophobicContact CB-CE2 3.86Å; F547-F549 HydrophobicContact CB-CZ 4.49Å; F547-R562 HydrophobicContact CB-CB 4.41Å; F547-R562 HydrophobicContact CB-CG 4.24Å; F547-R562 HydrophobicContact CD1-CB 3.34Å; F547-R562 HydrophobicContact CD1-CG 4.08Å; F547-R562 HydrophobicContact CE1-CB 3.58Å; F547-R562 HydrophobicContact CG-CB 3.85Å; F547-R562 HydrophobicContact CG-CG 4.2Å; F547-R562 HydrophobicContact CZ-CB 4.26Å; F547-V564 HydrophobicContact CD1-CB 4.42Å; F547-V564 HydrophobicContact CD1-CG1 4.26Å; F547-V564 HydrophobicContact CE1-CB 4.01Å; F547-V564 HydrophobicContact CE1-CG1 3.66Å; F547-V564 HydrophobicContact CZ-CG1 4.25Å; F547-L630 HydrophobicContact CE2-CD2 3.75Å; F547-L630 HydrophobicContact CE2-CG 3.97Å; F547-L630 HydrophobicContact CZ-CB 4.25Å; F547-L630 HydrophobicContact CZ-CD2 3.78Å; F547-L630 HydrophobicContact CZ-CG 3.66Å; F547-L630 WeakPolarHBondContact CZ-O 3.45Å; F547-R632 HydrophobicContact CD2-CB 4.14Å; F547-R632 HydrophobicContact CE2-CB 3.73Å; F547-R632 HydrophobicContact CZ-CB 4.05Å; F547-Y641 HydrophobicContact CD2-CE1 4.46Å; F547-Y641 HydrophobicContact CE2-CD1 4.13Å; F547-Y641 HydrophobicContact CE2-CE1 4.14Å
548T98.7Very high97Very high62 Ų6259.1 Ų59.138%0.3832%0.315SS..EExtended strand (participates in β ladder)trans-115.1139175.2-56.50000111Y496 T497Y496-T548 WeakPolarHBondContact O-CA 3.15Å; T497-T548 WeakPolarHBondContact CG2-OG1 3.15Å; T497-T548 WeakPolarHBondContact OG1-CG2 3.32Å; T497-T548 PolarHBondContact OG1-OG1 3.45Å
549F98.7Very high97Very high5 Ų561.1 Ų61.12%0.02233%0.332CS..EExtended strand (participates in β ladder)trans-128.1139.1173-60.8-91.9000109.5D470 P475 S495 Y496 F547 N560 R562D470-F549 HydrophobicContact CB-CD2 3.95Å; D470-F549 HydrophobicContact CB-CE2 3.56Å; D470-F549 HydrophobicContact CB-CZ 4.23Å; P475-F549 HydrophobicContact CB-CD1 3.61Å; P475-F549 HydrophobicContact CB-CE1 3.83Å; P475-F549 HydrophobicContact CB-CG 4.25Å; P475-F549 HydrophobicContact CG-CB 4.39Å; P475-F549 HydrophobicContact CG-CD1 3.45Å; P475-F549 VanDerWaalsContact CG-CD1 3.45Å; P475-F549 HydrophobicContact CG-CD2 4.02Å; P475-F549 HydrophobicContact CG-CE1 3.61Å; P475-F549 HydrophobicContact CG-CE2 4.17Å; P475-F549 HydrophobicContact CG-CG 3.68Å; P475-F549 HydrophobicContact CG-CZ 3.97Å; S495-F549 CarbonylContact C-O 3.35Å; S495-F549 WeakPolarHBondContact CA-O 3.39Å; S495-F549 WeakPolarHBondContact CB-O 3.4Å; Y496-F549 HydrophobicContact CD2-CB 4.25Å; Y496-F549 HydrophobicContact CD2-CD2 4.2Å; Y496-F549 HydrophobicContact CE2-CB 3.64Å; Y496-F549 AromaticContact CE2-CD2 3.69Å; Y496-F549 HydrophobicContact CE2-CD2 3.69Å; Y496-F549 AromaticContact CE2-CG 3.93Å; Y496-F549 HydrophobicContact CE2-CG 3.93Å; Y496-F549 PolarHBondContact N-O 3.06Å; Y496-F549 PolarHBondContact O-N 2.97Å; F547-F549 HydrophobicContact CB-CE2 3.86Å; F547-F549 HydrophobicContact CB-CZ 4.49Å; F549-N560 HydrophobicContact CE1-CB 4.19Å; F549-R562 HydrophobicContact CE1-CG 4.29Å; F549-R562 HydrophobicContact CZ-CG 3.81Å
550E98.5Very high97.1Very high110 Ų11058.9 Ų58.951%0.51432%0.321SS..EExtended strand (participates in β ladder)trans-122.3140.3179.9-64.5-176.9172.800109.6C494C494-E550 CarbonylContact O-C 3.45Å; C494-E550 WeakPolarHBondContact O-CA 3.41Å
551H98.5Very high97.2Very high12 Ų1259.8 Ų59.86%0.05633%0.331CS..SBendtrans-132131.7-177.8-62.1-68.9000110.6L478 S491 C494 Y496L478-H551 HydrophobicContact CD1-CB 4.43Å; S491-H551 VanDerWaalsContact CB-CB 3.45Å; S491-H551 WeakPolarHBondContact CB-O 3.47Å; S491-H551 VanDerWaalsContact OG-CB 3.31Å; S491-H551 WeakPolarHBondContact OG-CB 3.33Å; C494-H551 PolarHBondContact O-N 3.36Å; Y496-H551 AromaticContact CE1-CD2 3.54Å; Y496-H551 AromaticContact CE1-NE2 3.43Å; Y496-H551 WeakPolarHBondContact CE1-NE2 3.43Å; Y496-H551 AromaticContact CZ-NE2 3.44Å; Y496-H551 PolarHBondContact OH-NE2 2.82Å
552P98Very high97.3Very high53 Ų5361 Ų6134%0.34433%0.331SS..SBendcis-66.4150.4-6.428.6-34.3000112.5Q482 L485Q482-P552 HydrophobicContact CG-CB 4.29Å; L485-P552 HydrophobicContact CD2-CB 3.84Å; L485-P552 HydrophobicContact CD2-CG 4.02Å
553K96.7Very high97.4Very high14 Ų1464.1 Ų64.16%0.06134%0.336CS..  trans-79129.8179.4-174.4172.4174.3179.80110.5D479 Q482 D555 L556 Q558 N560D479-K553 WeakPolarHBondContact OD1-CD 3.21Å; D479-K553 IonicContact OD1-NZ 2.66Å; D479-K553 IonicContact OD2-NZ 2.73Å; D479-K553 PolarHBondContact OD2-NZ 2.7Å; Q482-K553 PolarHBondContact NE2-O 3.15Å; Q482-K553 PolarHBondContact OE1-O 2.92Å; K553-D555 VanDerWaalsContact CE-O 3.25Å; K553-D555 WeakPolarHBondContact CE-O 3.44Å; K553-D555 PolarHBondContact O-N 3.02Å; K553-L556 HydrophobicContact CB-CD2 4.42Å; K553-Q558 VanDerWaalsContact CE-O 3.25Å; K553-Q558 WeakPolarHBondContact CE-O 3.28Å; K553-Q558 PolarHBondContact NZ-O 3Å; K553-N560 PolarHBondContact NZ-OD1 3.35Å
554K94.7Very high97.4Very high197 Ų19764.9 Ų64.986%0.85734%0.341SS*.SBendtrans-64.3-39-175.4-65.2176-175.3162.40113.5
555D95.5Very high97.4Very high78 Ų7865 Ų6542%0.41735%0.348SS..  trans-128.8105.6176.3178.213.7000109.7K553 N557 Q558K553-D555 VanDerWaalsContact CE-O 3.25Å; K553-D555 WeakPolarHBondContact CE-O 3.44Å; K553-D555 PolarHBondContact O-N 3.02Å; D555-N557 PolarHBondContact O-N 2.88Å; D555-N557 WeakPolarHBondContact OD1-CB 3.41Å; D555-N557 PolarHBondContact OD1-N 2.93Å; D555-N557 PolarHBondContact OD1-ND2 3.04Å; D555-N557 VanDerWaalsContact OD1-ND2 3.11Å; D555-Q558 HydrophobicContact CB-CB 4.4Å; D555-Q558 VanDerWaalsContact O-CB 3.28Å; D555-Q558 WeakPolarHBondContact O-CB 3.45Å; D555-Q558 PolarHBondContact O-N 2.85Å; D555-Q558 VanDerWaalsContact O-N 3.09Å
556L94.5Very high97.4Very high72 Ų7261.7 Ų61.738%0.37733%0.326SS..THydrogen-bonded Turntrans-64.6-17.7178.4-74.7173.7000113.2D479 Q482 K553 Q558D479-L556 HydrophobicContact CB-CD2 4.15Å; Q482-L556 HydrophobicContact CB-CD1 4.3Å; Q482-L556 HydrophobicContact CB-CD2 4.03Å; Q482-L556 HydrophobicContact CG-CD1 4.32Å; Q482-L556 HydrophobicContact CG-CD2 4.31Å; K553-L556 HydrophobicContact CB-CD2 4.42Å; L556-Q558 VanDerWaalsContact C-N 3.31Å
557N94.1Very high97.4Very high148 Ų14862.9 Ų62.979%0.79133%0.334SS*.THydrogen-bonded Turntrans-80.3-14.9175.7-55.3-66000112.6D555 S559D555-N557 PolarHBondContact O-N 2.88Å; D555-N557 WeakPolarHBondContact OD1-CB 3.41Å; D555-N557 PolarHBondContact OD1-N 2.93Å; D555-N557 PolarHBondContact OD1-ND2 3.04Å; D555-N557 VanDerWaalsContact OD1-ND2 3.11Å; N557-S559 PolarHBondContact O-N 2.86Å
558Q94.9Very high97.4Very high111 Ų11162.8 Ų62.852%0.51933%0.333SS..SBendtrans-65.6132.8177.1-171.4-176.429.400109.8K553 D555 L556K553-Q558 VanDerWaalsContact CE-O 3.25Å; K553-Q558 WeakPolarHBondContact CE-O 3.28Å; K553-Q558 PolarHBondContact NZ-O 3Å; D555-Q558 HydrophobicContact CB-CB 4.4Å; D555-Q558 VanDerWaalsContact O-CB 3.28Å; D555-Q558 WeakPolarHBondContact O-CB 3.45Å; D555-Q558 PolarHBondContact O-N 2.85Å; D555-Q558 VanDerWaalsContact O-N 3.09Å; L556-Q558 VanDerWaalsContact C-N 3.31Å
559S96.8Very high97.3Very high67 Ų6764.6 Ų64.647%0.46934%0.341SS..  trans-64.5147.6176.9-177.30000112.3N557 A561 R562N557-S559 PolarHBondContact O-N 2.86Å; S559-A561 WeakPolarHBondContact OG-CB 3.31Å; S559-A561 PolarHBondContact OG-N 3.37Å; S559-R562 PolarHBondContact O-NH1 3.02Å
560N98.3Very high97.1Very high11 Ų1164.5 Ų64.56%0.05934%0.34CS..  trans-83.64.1167.6-72.4-26.2000113.4P475 E476 D479 F549 K553 R562 R632 V634P475-N560 HydrophobicContact CB-CB 4.4Å; E476-N560 WeakPolarHBondContact OE1-CB 3.23Å; E476-N560 PolarHBondContact OE1-ND2 2.89Å; D479-N560 PolarHBondContact OD2-ND2 2.98Å; D479-N560 PolarHBondContact OD2-OD1 3.15Å; F549-N560 HydrophobicContact CE1-CB 4.19Å; K553-N560 PolarHBondContact NZ-OD1 3.35Å; N560-R562 VanDerWaalsContact C-NH1 3.32Å; N560-R632 PolarHBondContact O-NH1 2.73Å; N560-V634 HydrophobicContact CB-CG2 4.33Å
561A98.4Very high96.8Very high40 Ų4066.1 Ų66.133%0.33135%0.348SS..  trans-64.5142.9169.300000110.6S559 R632 V634S559-A561 WeakPolarHBondContact OG-CB 3.31Å; S559-A561 PolarHBondContact OG-N 3.37Å; A561-R632 CarbonylContact C-O 3.59Å; A561-R632 WeakPolarHBondContact CA-O 3.34Å; A561-V634 HydrophobicContact CB-CG2 4.26Å
562R98.4Very high96.5Very high55 Ų5567.7 Ų67.721%0.20836%0.355CS..EExtended strand (participates in β ladder)trans-140.2154.1-179.5-59.8-70.4-179.7-86.3-1.3110.1F547 F549 S559 N560 W631 R632F547-R562 HydrophobicContact CB-CB 4.41Å; F547-R562 HydrophobicContact CB-CG 4.24Å; F547-R562 HydrophobicContact CD1-CB 3.34Å; F547-R562 HydrophobicContact CD1-CG 4.08Å; F547-R562 HydrophobicContact CE1-CB 3.58Å; F547-R562 HydrophobicContact CG-CB 3.85Å; F547-R562 HydrophobicContact CG-CG 4.2Å; F547-R562 HydrophobicContact CZ-CB 4.26Å; F549-R562 HydrophobicContact CE1-CG 4.29Å; F549-R562 HydrophobicContact CZ-CG 3.81Å; S559-R562 PolarHBondContact O-NH1 3.02Å; N560-R562 VanDerWaalsContact C-NH1 3.32Å; R562-W631 CarbonylContact O-C 3.47Å; R562-W631 WeakPolarHBondContact O-CA 3.39Å; R562-R632 HydrophobicContact CB-CB 4.09Å; R562-R632 PolarHBondContact N-O 3.09Å; R562-R632 PolarHBondContact O-N 3.11Å
563E98.3Very high96.3Very high147 Ų14766.5 Ų66.569%0.68735%0.346SS*.EExtended strand (participates in β ladder)trans-138.9147.7167.567.6-178.6175.200109.2L630 W631E563-L630 WeakPolarHBondContact CA-O 3.46Å; E563-W631 VanDerWaalsContact CB-CD1 3.41Å; E563-W631 HydrophobicContact CB-CG 4.33Å; E563-W631 PolarHBondContact OE2-NE1 3.28Å
564V98.6Very high96.2Very high30 Ų3066 Ų6618%0.18234%0.344CS..EExtended strand (participates in β ladder)trans-145.1147.3175.168.70000110.1A546 F547 Y629 L630A546-V564 HydrophobicContact CB-CG1 4.03Å; F547-V564 HydrophobicContact CD1-CB 4.42Å; F547-V564 HydrophobicContact CD1-CG1 4.26Å; F547-V564 HydrophobicContact CE1-CB 4.01Å; F547-V564 HydrophobicContact CE1-CG1 3.66Å; F547-V564 HydrophobicContact CZ-CG1 4.25Å; V564-Y629 WeakPolarHBondContact O-CA 3.2Å; V564-L630 HydrophobicContact CG1-CB 3.92Å; V564-L630 PolarHBondContact N-O 3.05Å; V564-L630 PolarHBondContact O-N 2.98Å
565C98.6Very high96.3Very high63 Ų6356.9 Ų56.943%0.42631%0.305SS..EExtended strand (participates in β ladder)trans-119.3111.9169.6177.20000108.5T627 L628 Y629C565-T627 VanDerWaalsContact SG-CG2 3.54Å; C565-L628 CarbonylContact C-O 3.54Å; C565-L628 VanDerWaalsContact CA-O 3.29Å; C565-L628 WeakPolarHBondContact CA-O 3.46Å; C565-Y629 HydrophobicContact CB-CD1 3.98Å; C565-Y629 HydrophobicContact CB-CE1 3.81Å
566C98.4Very high96.4Very high3 Ų353.2 Ų53.22%0.0229%0.285CS..EExtended strand (participates in β ladder)trans-104.7140177.9-59.50000109.8V500 F568 T627 L628V500-C566 HydrophobicContact CG2-CB 4.34Å; C566-F568 HydrophobicContact CB-CD2 4.45Å; C566-F568 HydrophobicContact CB-CE2 3.53Å; C566-F568 HydrophobicContact CB-CZ 3.65Å; C566-T627 WeakPolarHBondContact O-CA 3.35Å; C566-L628 HydrophobicContact CB-CB 4.48Å; C566-L628 PolarHBondContact N-O 3Å; C566-L628 PolarHBondContact O-N 2.69Å
567S98.2Very high96.6Very high40 Ų4050.4 Ų50.428%0.2827%0.27SS..EExtended strand (participates in β ladder)trans-124.4117.3-178.6-75.30000110.4Q544 K625 I626 T627Q544-S567 PolarHBondContact NE2-O 3.45Å; S567-K625 WeakPolarHBondContact OG-CE 3.29Å; S567-K625 PolarHBondContact OG-NZ 3.28Å; S567-I626 CarbonylContact C-O 3.55Å; S567-I626 WeakPolarHBondContact CA-O 3.21Å; S567-T627 PolarHBondContact OG-OG1 3.42Å
568F98.3Very high96.7Very high0 Ų043.3 Ų43.30%023%0.233CC..EExtended strand (participates in β ladder)trans-114.2128.1-176.4-54-85.1000110.9V500 P502 Q544 C566 K625 I626 L628V500-F568 HydrophobicContact CG2-CZ 4.19Å; V500-F568 WeakPolarHBondContact O-CE1 3.26Å; V500-F568 VanDerWaalsContact O-CZ 3.29Å; V500-F568 WeakPolarHBondContact O-CZ 3.25Å; P502-F568 HydrophobicContact CG-CB 3.88Å; P502-F568 HydrophobicContact CG-CD1 4.19Å; P502-F568 HydrophobicContact CG-CD2 3.57Å; P502-F568 HydrophobicContact CG-CE2 4.1Å; P502-F568 HydrophobicContact CG-CG 3.61Å; Q544-F568 HydrophobicContact CB-CE1 3.91Å; Q544-F568 HydrophobicContact CB-CZ 4.15Å; Q544-F568 HydrophobicContact CG-CD1 4.28Å; Q544-F568 HydrophobicContact CG-CE1 3.67Å; Q544-F568 HydrophobicContact CG-CZ 4.33Å; C566-F568 HydrophobicContact CB-CD2 4.45Å; C566-F568 HydrophobicContact CB-CE2 3.53Å; C566-F568 HydrophobicContact CB-CZ 3.65Å; F568-K625 WeakPolarHBondContact O-CA 3.44Å; F568-I626 HydrophobicContact CB-CB 4.34Å; F568-I626 HydrophobicContact CD2-CG2 4.41Å; F568-I626 PolarHBondContact N-O 3.06Å; F568-I626 PolarHBondContact O-N 3.43Å; F568-L628 HydrophobicContact CE2-CB 4.31Å; F568-L628 HydrophobicContact CE2-CD2 4.45Å
569N96.9Very high96.9Very high100 Ų10038.1 Ų38.154%0.53521%0.208SC..EExtended strand (participates in β ladder)trans-91.6118.1175-64.8-35000109.8Q571N569-Q571 PolarHBondContact O-NE2 3.4Å
570I95.4Very high97Very high3 Ų335 Ų352%0.01519%0.186CC..  trans-80.7128-178.4-64.8-53.6000110.6L540 Q572 V620 R623 D624 I626L540-I570 HydrophobicContact CB-CD1 3.88Å; L540-I570 HydrophobicContact CD1-CD1 4.45Å; I570-Q572 WeakPolarHBondContact CG2-O 3.11Å; I570-V620 HydrophobicContact CG1-CB 4.36Å; I570-V620 HydrophobicContact CG1-CG2 4.06Å; I570-V620 HydrophobicContact CG2-CG2 3.99Å; I570-R623 WeakPolarHBondContact O-CA 3.08Å; I570-R623 PolarHBondContact O-N 3.49Å; I570-D624 WeakPolarHBondContact CB-O 3.46Å; I570-D624 PolarHBondContact N-O 2.97Å; I570-I626 HydrophobicContact CD1-CD1 3.45Å; I570-I626 VanDerWaalsContact CD1-CD1 3.45Å; I570-I626 HydrophobicContact CD1-CG1 4.26Å; I570-I626 HydrophobicContact CG1-CD1 3.62Å; I570-I626 HydrophobicContact CG1-CG1 3.94Å
571Q92.3Very high97Very high144 Ų14434.4 Ų34.467%0.67318%0.183SC*.SBendtrans-85.4-29.1-177.2-60.4-56.2-50.600112.9N569 S622N569-Q571 PolarHBondContact O-NE2 3.4Å; Q571-S622 PolarHBondContact O-OG 2.74Å
572Q91.1Very high97Very high46 Ų4632.9 Ų32.922%0.21517%0.169CC..SBendtrans-144.9151.8-175.165.6-172.531.700110.3I570 A574I570-Q572 WeakPolarHBondContact CG2-O 3.11Å; Q572-A574 PolarHBondContact O-N 2.85Å
573D93.8Very high97Very high28 Ų2830.3 Ų30.315%0.1516%0.159CC..  trans-50.6133.2173.1-68.937.2000110.8W184 H185 V620 H621 S622W184-D573 WeakPolarHBondContact CH2-O 3.21Å; W184-D573 HydrophobicContact CZ3-CB 4.24Å; H185-D573 WeakPolarHBondContact NE2-CB 3.45Å; H185-D573 IonicContact NE2-OD2 3.76Å; D573-V620 WeakPolarHBondContact CA-O 3.42Å; D573-H621 IonicContact OD2-CE1 3.25Å; D573-H621 IonicContact OD2-CG 3.81Å; D573-H621 IonicContact OD2-ND1 3.29Å; D573-H621 PolarHBondContact OD2-ND1 3.48Å; D573-S622 PolarHBondContact OD1-N 3.02Å
574A95.6Very high97Very high2 Ų225 Ų252%0.01713%0.134CC..EExtended strand (participates in β ladder)trans-156.7173.3-16900000111.2Q504 L540 Q572 V620Q504-A574 VanDerWaalsContact OE1-CA 3.27Å; L540-A574 HydrophobicContact CD1-CB 3.84Å; L540-A574 HydrophobicContact CD2-CB 3.7Å; L540-A574 HydrophobicContact CG-CB 4.4Å; Q572-A574 PolarHBondContact O-N 2.85Å; A574-V620 HydrophobicContact CB-CG2 3.75Å; A574-V620 PolarHBondContact N-O 3.02Å; A574-V620 WeakPolarHBondContact O-CG2 3.43Å; A574-V620 PolarHBondContact O-N 3.05Å
575V96.7Very high97Very high7 Ų723.6 Ų23.64%0.04213%0.126CC..EExtended strand (participates in β ladder)trans-129.6112.9173.8-172.70000109.4L188 Q504 H577 P617 I618L188-V575 HydrophobicContact CD1-CG2 3.27Å; Q504-V575 WeakPolarHBondContact CA-O 3.36Å; Q504-V575 WeakPolarHBondContact CB-O 3.39Å; Q504-V575 VanDerWaalsContact CG-O 3.23Å; Q504-V575 WeakPolarHBondContact CG-O 3.14Å; V575-H577 PolarHBondContact O-CE1 3.3Å; V575-H577 PolarHBondContact O-N 2.72Å; V575-H577 PolarHBondContact O-ND1 2.77Å; V575-P617 HydrophobicContact CG1-CB 3.38Å; V575-I618 WeakPolarHBondContact CA-O 3.31Å
576V97.7Very high97Very high0 Ų022.9 Ų22.90%012%0.12CC..EExtended strand (participates in β ladder)trans-78.3121.1175.9-168.20000108.6P502 L540 G578 F614 I618 V620 I626 L645P502-V576 HydrophobicContact CB-CG1 4.18Å; L540-V576 HydrophobicContact CD1-CG2 3.97Å; V576-G578 WeakPolarHBondContact CG1-O 3.45Å; V576-F614 HydrophobicContact CG1-CD2 4.1Å; V576-F614 HydrophobicContact CG1-CE2 3.87Å; V576-I618 HydrophobicContact CB-CB 4.17Å; V576-I618 PolarHBondContact N-O 3.33Å; V576-I618 PolarHBondContact O-N 3.41Å; V576-V620 HydrophobicContact CG2-CG1 3.93Å; V576-V620 HydrophobicContact CG2-CG2 4.14Å; V576-I626 HydrophobicContact CG2-CD1 3.45Å; V576-I626 VanDerWaalsContact CG2-CD1 3.45Å; V576-I626 HydrophobicContact CG2-CG1 4.5Å; V576-L645 HydrophobicContact CG1-CD1 4.42Å
577H97.2Very high97.1Very high13 Ų1322.7 Ų22.76%0.0612%0.119CC..EExtended strand (participates in β ladder)trans-107-19.6178.9-65.896.2000112.2L503 S505 Y509 V575 F614L503-H577 PolarHBondContact O-N 2.74Å; S505-H577 PolarHBondContact N-ND1 3.14Å; S505-H577 VanDerWaalsContact N-ND1 3.17Å; Y509-H577 VanDerWaalsContact CB-CD2 3.48Å; Y509-H577 WeakPolarHBondContact CB-CD2 3.47Å; Y509-H577 AromaticContact CG-CD2 3.68Å; V575-H577 PolarHBondContact O-CE1 3.3Å; V575-H577 PolarHBondContact O-N 2.72Å; V575-H577 PolarHBondContact O-ND1 2.77Å; H577-F614 PolarHBondContact O-N 3.37Å
578G97.7Very high97.1Very high0 Ų021.8 Ų21.80%011%0.109CC..EExtended strand (participates in β ladder)trans-175-169.1177.200000111.8L503 V576 F612L503-G578 WeakPolarHBondContact CB-O 3.33Å; L503-G578 PolarHBondContact N-O 2.91Å; L503-G578 PolarHBondContact O-N 3.29Å; V576-G578 WeakPolarHBondContact CG1-O 3.45Å; G578-F612 CarbonylContact C-O 3.55Å; G578-F612 WeakPolarHBondContact CA-O 3.39Å
579I98.5Very high97.1Very high2 Ų227.4 Ų27.41%0.0113%0.133CC..EExtended strand (participates in β ladder)trans-117.6126171.5-55.4-59.3000108.3V500 A501 P502 V611 F612 F614 L628 L645V500-I579 HydrophobicContact CB-CG2 3.63Å; V500-I579 HydrophobicContact CG1-CG2 3.83Å; A501-I579 CarbonylContact O-C 3.53Å; A501-I579 WeakPolarHBondContact O-CA 3.33Å; P502-I579 HydrophobicContact CB-CD1 4.48Å; I579-V611 CarbonylContact O-C 3.32Å; I579-V611 WeakPolarHBondContact O-CA 3.26Å; I579-F612 HydrophobicContact CB-CB 4.22Å; I579-F612 HydrophobicContact CB-CD2 4.41Å; I579-F612 PolarHBondContact N-O 3.42Å; I579-F612 PolarHBondContact O-N 3.49Å; I579-F614 HydrophobicContact CD1-CE2 3.86Å; I579-F614 HydrophobicContact CD1-CZ 3.99Å; I579-F614 HydrophobicContact CG1-CE2 3.87Å; I579-F614 HydrophobicContact CG1-CZ 3.76Å; I579-L628 HydrophobicContact CD1-CD1 4.35Å; I579-L628 HydrophobicContact CD1-CD2 4.1Å; I579-L628 HydrophobicContact CG1-CD1 4.04Å; I579-L628 HydrophobicContact CG1-CD2 4.02Å; I579-L628 HydrophobicContact CG2-CD2 3.93Å; I579-L645 HydrophobicContact CD1-CD2 4.37Å
580A98.6Very high97.1Very high0 Ų028.1 Ų28.10%014%0.138CC..EExtended strand (participates in β ladder)trans-80.7135169.700000109.9V500 A501 L503 L534 I539 Y582 L610V500-A580 CarbonylContact C-O 3.54Å; V500-A580 VanDerWaalsContact CA-O 3.28Å; V500-A580 WeakPolarHBondContact CA-O 3.39Å; A501-A580 PolarHBondContact N-O 3.01Å; A501-A580 PolarHBondContact O-N 2.86Å; L503-A580 HydrophobicContact CB-CB 4.25Å; L503-A580 HydrophobicContact CD1-CB 4.47Å; L534-A580 HydrophobicContact CD1-CB 4.15Å; I539-A580 HydrophobicContact CD1-CB 3.89Å; A580-Y582 HydrophobicContact CB-CE2 3.79Å; A580-Y582 WeakPolarHBondContact CB-OH 3.37Å; A580-L610 CarbonylContact C-O 3.59Å; A580-L610 WeakPolarHBondContact CA-O 3.41Å
581G98.7Very high97.2Very high0 Ų028.7 Ų28.70%014%0.141CC..EExtended strand (participates in β ladder)trans-114.7136.2179.600000111.5Y499 P609 L610Y499-G581 CarbonylContact O-C 3.59Å; Y499-G581 VanDerWaalsContact O-CA 3.27Å; Y499-G581 WeakPolarHBondContact O-CA 3.33Å; G581-P609 WeakPolarHBondContact O-CA 3.5Å; G581-L610 PolarHBondContact N-O 2.96Å; G581-L610 PolarHBondContact O-N 3.45Å
582Y98.6Very high97.5Very high8 Ų825.1 Ų25.13%0.03113%0.129CC..EExtended strand (participates in β ladder)trans-135.2179.2178.4-47.3-87.5000109.6S467 S498 Y499 A501 I539 P543 A580 T595 P597 P609S467-Y582 CarbonylContact O-C 3.22Å; S498-Y582 CarbonylContact C-O 3.35Å; S498-Y582 WeakPolarHBondContact CA-O 3.43Å; Y499-Y582 PolarHBondContact N-O 3.19Å; Y499-Y582 PolarHBondContact O-N 3.23Å; A501-Y582 HydrophobicContact CB-CE2 4.5Å; I539-Y582 WeakPolarHBondContact CD1-OH 3.44Å; P543-Y582 HydrophobicContact CB-CD2 4.19Å; P543-Y582 HydrophobicContact CB-CE2 4.39Å; P543-Y582 HydrophobicContact CG-CD2 4.12Å; P543-Y582 HydrophobicContact CG-CE2 3.93Å; A580-Y582 HydrophobicContact CB-CE2 3.79Å; A580-Y582 WeakPolarHBondContact CB-OH 3.37Å; Y582-T595 VanDerWaalsContact CD1-O 3.22Å; Y582-T595 WeakPolarHBondContact CD1-O 3.25Å; Y582-P597 HydrophobicContact CE1-CG 4.42Å; Y582-P597 HydrophobicContact CE2-CG 4.49Å; Y582-P609 HydrophobicContact CD1-CB 4.08Å; Y582-P609 HydrophobicContact CD1-CG 4Å; Y582-P609 HydrophobicContact CE1-CB 3.79Å; Y582-P609 HydrophobicContact CE1-CG 3.59Å
583F98.6Very high97.8Very high0 Ų022.9 Ų22.90%012%0.119CC..EExtended strand (participates in β ladder)trans-147.7160.4169.781.4-85.3000112.7L465 G466 T497 A585 T595 W607L465-F583 HydrophobicContact CD1-CD2 4.41Å; L465-F583 HydrophobicContact CD1-CE2 3.77Å; L465-F583 HydrophobicContact CD1-CZ 4.39Å; G466-F583 WeakPolarHBondContact O-CD1 3.23Å; T497-F583 CarbonylContact O-C 3.54Å; T497-F583 VanDerWaalsContact O-CA 3.27Å; T497-F583 WeakPolarHBondContact O-CA 3.09Å; F583-A585 HydrophobicContact CD2-CB 4.25Å; F583-A585 HydrophobicContact CE2-CB 4.01Å; F583-T595 HydrophobicContact CD1-CG2 3.93Å; F583-T595 WeakPolarHBondContact CD1-OG1 3.27Å; F583-T595 HydrophobicContact CE1-CG2 3.52Å; F583-T595 HydrophobicContact CZ-CG2 4.26Å; F583-T595 PolarHBondContact N-OG1 3.42Å; F583-T595 PolarHBondContact O-N 3.45Å; F583-T595 PolarHBondContact O-OG1 3.24Å; F583-W607 HydrophobicContact CE1-CB 4.17Å; F583-W607 AromaticContact CE1-CD2 3.76Å; F583-W607 HydrophobicContact CE1-CD2 3.76Å; F583-W607 HydrophobicContact CE1-CE3 4.15Å; F583-W607 AromaticContact CE1-CG 3.76Å; F583-W607 HydrophobicContact CE1-CG 3.76Å; F583-W607 AromaticContact CZ-CD2 3.79Å; F583-W607 HydrophobicContact CZ-CD2 3.79Å; F583-W607 AromaticContact CZ-CE2 3.97Å; F583-W607 AromaticContact CZ-CE3 3.87Å; F583-W607 HydrophobicContact CZ-CE3 3.87Å; F583-W607 HydrophobicContact CZ-CG 4.29Å; F583-W607 HydrophobicContact CZ-CH2 4.31Å; F583-W607 HydrophobicContact CZ-CZ2 4.23Å; F583-W607 HydrophobicContact CZ-CZ3 4.17Å
584E98.4Very high98Very high35 Ų3521.7 Ų21.716%0.16411%0.112CC..EExtended strand (participates in β ladder)trans-130.6135.1164.7-55.1-160.1119.600109.6Y496 T497 Y499 L593 S594 H596 R599Y496-E584 CarbonylContact C-O 3.54Å; Y496-E584 WeakPolarHBondContact CA-O 3Å; Y496-E584 WeakPolarHBondContact CB-O 3.3Å; T497-E584 PolarHBondContact N-O 3.06Å; T497-E584 PolarHBondContact O-N 3.45Å; Y499-E584 HydrophobicContact CD2-CG 4.07Å; Y499-E584 HydrophobicContact CE2-CB 3.99Å; Y499-E584 HydrophobicContact CE2-CG 3.57Å; Y499-E584 PolarHBondContact OH-OE2 3.47Å; E584-L593 CarbonylContact C-O 3.6Å; E584-L593 WeakPolarHBondContact CA-O 3.36Å; E584-S594 WeakPolarHBondContact CG-OG 3.41Å; E584-S594 WeakPolarHBondContact OE1-CB 3.49Å; E584-S594 PolarHBondContact OE1-OG 2.98Å; E584-H596 HydrophobicContact CG-CB 4.13Å; E584-R599 WeakPolarHBondContact OE1-CD 3.28Å; E584-R599 WeakPolarHBondContact OE1-CG 3.25Å; E584-R599 IonicContact OE1-CZ 3.71Å; E584-R599 IonicContact OE1-NE 2.8Å; E584-R599 PolarHBondContact OE1-NE 2.9Å; E584-R599 IonicContact OE1-NH2 2.84Å; E584-R599 IonicContact OE2-CZ 3.25Å; E584-R599 VanDerWaalsContact OE2-CZ 3.23Å; E584-R599 IonicContact OE2-NE 3.97Å; E584-R599 PolarHBondContact OE2-NE 2.55Å; E584-R599 IonicContact OE2-NH2 2.84Å; E584-R599 PolarHBondContact OE2-NH2 3.15Å
585A98.7Very high98.1Very high1 Ų121.7 Ų21.71%0.00811%0.112CC..EExtended strand (participates in β ladder)trans-117.8130.9176.600000110.3L465 S495 F583 L587 T592 L593L465-A585 HydrophobicContact CD1-CB 3.73Å; S495-A585 CarbonylContact O-C 3.48Å; S495-A585 WeakPolarHBondContact O-CA 3.34Å; F583-A585 HydrophobicContact CD2-CB 4.25Å; F583-A585 HydrophobicContact CE2-CB 4.01Å; A585-L587 HydrophobicContact CB-CD2 4.41Å; A585-T592 CarbonylContact O-C 3.46Å; A585-T592 WeakPolarHBondContact O-CA 3.1Å; A585-T592 WeakPolarHBondContact O-CB 3.37Å; A585-L593 HydrophobicContact CB-CB 4.48Å; A585-L593 PolarHBondContact N-O 3.08Å; A585-L593 PolarHBondContact O-N 2.81Å
586V98.7Very high98.1Very high48 Ų4821.5 Ų21.529%0.29111%0.111SC..EExtended strand (participates in β ladder)trans-88.1104.5164.6-179.70000106.7C494 S495 K589 T592C494-V586 HydrophobicContact CB-CG1 4.48Å; C494-V586 PolarHBondContact N-O 3.34Å; S495-V586 PolarHBondContact N-O 3.12Å; S495-V586 PolarHBondContact O-N 3.16Å; V586-K589 WeakPolarHBondContact CG1-O 3.48Å; V586-T592 HydrophobicContact CG2-CG2 4.39Å
587L98.8Very high97.8Very high0 Ų024.4 Ų24.40%013%0.13CC..EExtended strand (participates in β ladder)trans-67.4-58177.3-61.7-168.5000109.5A334 Y335 A338 I492 P493 C494 A585 V591 L593A334-L587 HydrophobicContact CB-CD1 3.8Å; Y335-L587 HydrophobicContact CD1-CD1 4.22Å; Y335-L587 HydrophobicContact CD1-CD2 4.47Å; Y335-L587 HydrophobicContact CD2-CD1 4.07Å; Y335-L587 HydrophobicContact CE1-CD1 4.4Å; Y335-L587 HydrophobicContact CE1-CD2 3.87Å; Y335-L587 HydrophobicContact CE2-CD1 4.25Å; Y335-L587 HydrophobicContact CE2-CD2 4.17Å; Y335-L587 HydrophobicContact CG-CD1 4.03Å; A338-L587 HydrophobicContact CB-CB 3.62Å; A338-L587 HydrophobicContact CB-CD1 4.34Å; I492-L587 HydrophobicContact CG2-CB 4.1Å; P493-L587 HydrophobicContact CB-CD2 4.06Å; C494-L587 PolarHBondContact N-O 3.1Å; C494-L587 PolarHBondContact SG-O 3.33Å; C494-L587 VanDerWaalsContact SG-O 3.41Å; A585-L587 HydrophobicContact CB-CD2 4.41Å; L587-V591 HydrophobicContact CB-CB 4.47Å; L587-V591 HydrophobicContact CB-CG1 4.33Å; L587-V591 WeakPolarHBondContact CB-O 3.48Å; L587-V591 HydrophobicContact CD1-CG1 4.21Å; L587-V591 PolarHBondContact N-O 3.38Å; L587-L593 HydrophobicContact CD1-CD1 4.12Å; L587-L593 HydrophobicContact CD1-CG 3.96Å; L587-L593 HydrophobicContact CD2-CD1 4Å; L587-L593 HydrophobicContact CD2-CG 4.19Å; L587-L593 HydrophobicContact CG-CD1 4.4Å; L587-L593 HydrophobicContact CG-CG 4.14Å
588Y98.7Very high97.6Very high20 Ų2029.3 Ų29.38%0.07816%0.156CC..EExtended strand (participates in β ladder)trans-161124.5172.8-172.6-108.7000110.4K341 A342 D345 I490 D590 V591K341-Y588 HydrophobicContact CB-CD1 3.74Å; K341-Y588 HydrophobicContact CB-CE1 3.98Å; A342-Y588 HydrophobicContact CB-CD1 4.07Å; A342-Y588 HydrophobicContact CB-CD2 4.19Å; A342-Y588 HydrophobicContact CB-CE1 3.95Å; A342-Y588 HydrophobicContact CB-CE2 4.1Å; A342-Y588 HydrophobicContact CB-CG 4.18Å; D345-Y588 WeakPolarHBondContact CB-OH 3.27Å; D345-Y588 WeakPolarHBondContact OD2-CE1 3.2Å; D345-Y588 PolarHBondContact OD2-OH 3.23Å; D345-Y588 VanDerWaalsContact OD2-OH 3.04Å; I490-Y588 HydrophobicContact CD1-CE2 3.9Å; I490-Y588 HydrophobicContact CG1-CE2 4.4Å; I490-Y588 HydrophobicContact CG2-CD2 3.71Å; I490-Y588 HydrophobicContact CG2-CE2 3.62Å; Y588-D590 PolarHBondContact O-N 3.01Å; Y588-D590 VanDerWaalsContact O-N 3.14Å; Y588-V591 PolarHBondContact N-O 3.07Å; Y588-V591 WeakPolarHBondContact O-CB 3.45Å; Y588-V591 PolarHBondContact O-N 3.26Å
589K97.7Very high97.4Very high118 Ų11834.9 Ų34.951%0.51318%0.177SC..THydrogen-bonded Turntrans51.6-112.8-177.4-64.3180171.7-178.50112.5D345 V586D345-K589 IonicContact OD1-NZ 3.22Å; D345-K589 PolarHBondContact OD1-NZ 3.24Å; D345-K589 WeakPolarHBondContact OD2-CE 3.2Å; D345-K589 IonicContact OD2-NZ 3.95Å; D345-K589 PolarHBondContact OD2-NZ 3.15Å; V586-K589 WeakPolarHBondContact CG1-O 3.48Å
590D97.6Very high97.2Very high116 Ų11637.6 Ų37.662%0.6219%0.19SC*.THydrogen-bonded Turntrans-87.7-2.7-177.361.8-52.9000113.6K341 Y588K341-D590 IonicContact NZ-OD1 3.43Å; K341-D590 PolarHBondContact NZ-OD1 3.25Å; K341-D590 IonicContact NZ-OD2 3.95Å; K341-D590 PolarHBondContact NZ-OD2 3.45Å; Y588-D590 PolarHBondContact O-N 3.01Å; Y588-D590 VanDerWaalsContact O-N 3.14Å
591V98.2Very high97Very high14 Ų1437.9 Ų37.99%0.08519%0.192CC..EExtended strand (participates in β ladder)trans-88.5116.5178.1-171.30000109.6A334 T337 A338 K341 L587 Y588A334-V591 HydrophobicContact CB-CG1 4.19Å; A334-V591 WeakPolarHBondContact O-CG1 3.14Å; T337-V591 HydrophobicContact CG2-CG2 3.94Å; A338-V591 HydrophobicContact CB-CB 4.23Å; A338-V591 HydrophobicContact CB-CG1 4.14Å; K341-V591 HydrophobicContact CD-CG2 3.79Å; L587-V591 HydrophobicContact CB-CB 4.47Å; L587-V591 HydrophobicContact CB-CG1 4.33Å; L587-V591 WeakPolarHBondContact CB-O 3.48Å; L587-V591 HydrophobicContact CD1-CG1 4.21Å; L587-V591 PolarHBondContact N-O 3.38Å; Y588-V591 PolarHBondContact N-O 3.07Å; Y588-V591 WeakPolarHBondContact O-CB 3.45Å; Y588-V591 PolarHBondContact O-N 3.26Å
592T97.9Very high96.3Very high69 Ų6942.1 Ų42.142%0.42322%0.22SC..EExtended strand (participates in β ladder)trans-128.3157.9-175.563.10000113A585 V586A585-T592 CarbonylContact O-C 3.46Å; A585-T592 WeakPolarHBondContact O-CA 3.1Å; A585-T592 WeakPolarHBondContact O-CB 3.37Å; V586-T592 HydrophobicContact CG2-CG2 4.39Å
593L98Very high95.5Very high0 Ų048 Ų480%025%0.247CC..EExtended strand (participates in β ladder)trans-119.2139.3162.5-63.5178.5000108.2F330 K331 A334 Y335 E584 A585 L587 S601 M604 W607F330-L593 HydrophobicContact CD1-CD2 3.98Å; F330-L593 HydrophobicContact CE1-CD2 3.77Å; K331-L593 HydrophobicContact CG-CD1 4.26Å; A334-L593 HydrophobicContact CB-CD2 3.69Å; Y335-L593 HydrophobicContact CD2-CD1 4.42Å; Y335-L593 HydrophobicContact CE2-CD1 3.77Å; E584-L593 CarbonylContact C-O 3.6Å; E584-L593 WeakPolarHBondContact CA-O 3.36Å; A585-L593 HydrophobicContact CB-CB 4.48Å; A585-L593 PolarHBondContact N-O 3.08Å; A585-L593 PolarHBondContact O-N 2.81Å; L587-L593 HydrophobicContact CD1-CD1 4.12Å; L587-L593 HydrophobicContact CD1-CG 3.96Å; L587-L593 HydrophobicContact CD2-CD1 4Å; L587-L593 HydrophobicContact CD2-CG 4.19Å; L587-L593 HydrophobicContact CG-CD1 4.4Å; L587-L593 HydrophobicContact CG-CG 4.14Å; L593-S601 WeakPolarHBondContact CA-OG 3.49Å; L593-M604 HydrophobicContact CB-SD 4.23Å; L593-M604 HydrophobicContact CD2-SD 4.04Å; L593-W607 HydrophobicContact CD1-CH2 4.02Å; L593-W607 HydrophobicContact CD1-CZ3 4.25Å
594S98Very high95.1Very high2 Ų248 Ų481%0.01425%0.247CC..EExtended strand (participates in β ladder)trans-146.5131.6-178.7179.30000112E584 H596 R599 H600 S601 M604E584-S594 WeakPolarHBondContact CG-OG 3.41Å; E584-S594 WeakPolarHBondContact OE1-CB 3.49Å; E584-S594 PolarHBondContact OE1-OG 2.98Å; S594-H596 VanDerWaalsContact OG-CB 3.24Å; S594-H596 WeakPolarHBondContact OG-CB 3.34Å; S594-H596 PolarHBondContact OG-N 3.49Å; S594-H596 VanDerWaalsContact OG-N 3.07Å; S594-R599 WeakPolarHBondContact CB-O 3.47Å; S594-R599 PolarHBondContact OG-O 2.81Å; S594-H600 WeakPolarHBondContact O-CA 3.42Å; S594-S601 PolarHBondContact N-OG 2.9Å; S594-S601 PolarHBondContact O-N 3.09Å; S594-M604 WeakPolarHBondContact O-CE 2.97Å
595T97.1Very high94.6Very high3 Ų347 Ų472%0.01824%0.244CC..  trans-99.23.8165.657.60000112.1Y582 F583 M604 W607Y582-T595 VanDerWaalsContact CD1-O 3.22Å; Y582-T595 WeakPolarHBondContact CD1-O 3.25Å; F583-T595 HydrophobicContact CD1-CG2 3.93Å; F583-T595 WeakPolarHBondContact CD1-OG1 3.27Å; F583-T595 HydrophobicContact CE1-CG2 3.52Å; F583-T595 HydrophobicContact CZ-CG2 4.26Å; F583-T595 PolarHBondContact N-OG1 3.42Å; F583-T595 PolarHBondContact O-N 3.45Å; F583-T595 PolarHBondContact O-OG1 3.24Å; T595-M604 HydrophobicContact CG2-CE 3.52Å; T595-W607 HydrophobicContact CG2-CB 3.73Å; T595-W607 HydrophobicContact CG2-CG 4.49Å
596H96.5Very high94.2Very high3 Ų348.3 Ų48.31%0.01425%0.252CS..  trans-62.3128.9178.8-172.3-68.2000110.2Y499 E584 S594 D598 R599 H600Y499-H596 AromaticContact CD1-CD2 3.81Å; E584-H596 HydrophobicContact CG-CB 4.13Å; S594-H596 VanDerWaalsContact OG-CB 3.24Å; S594-H596 WeakPolarHBondContact OG-CB 3.34Å; S594-H596 PolarHBondContact OG-N 3.49Å; S594-H596 VanDerWaalsContact OG-N 3.07Å; H596-D598 VanDerWaalsContact C-N 3.32Å; H596-D598 IonicContact CE1-OD2 3.47Å; H596-D598 PolarHBondContact CE1-OD2 3.08Å; H596-D598 PolarHBondContact ND1-N 2.67Å; H596-D598 PolarHBondContact O-N 2.91Å; H596-R599 HydrophobicContact CB-CG 3.89Å; H596-R599 PolarHBondContact CD2-NH2 3.42Å; H596-R599 PolarHBondContact CE1-NH1 3.22Å; H596-R599 PolarHBondContact NE2-NH1 3.29Å; H596-R599 CarbonylContact O-C 3.6Å; H596-R599 PolarHBondContact O-N 2.85Å; H596-H600 VanDerWaalsContact O-CA 3.3Å; H596-H600 WeakPolarHBondContact O-CA 3.34Å; H596-H600 WeakPolarHBondContact O-CB 3.4Å; H596-H600 PolarHBondContact O-N 3.28Å
597P92.7Very high94.1Very high60 Ų6046.7 Ų46.739%0.3924%0.241SC..G310 helixtrans-56.4-41.1-171.819.4-32.4000113.8P543 Y582 R599P543-P597 HydrophobicContact CG-CG 3.75Å; Y582-P597 HydrophobicContact CE1-CG 4.42Å; Y582-P597 HydrophobicContact CE2-CG 4.49Å; P597-R599 VanDerWaalsContact C-N 3.34Å; P597-R599 PolarHBondContact O-N 3.1Å
598D92.8Very high93.9Very high117 Ų11747.9 Ų47.963%0.62625%0.246SC*.G310 helixtrans-75.8-16.3-178.4-56.9-32.9000115H596H596-D598 VanDerWaalsContact C-N 3.32Å; H596-D598 IonicContact CE1-OD2 3.47Å; H596-D598 PolarHBondContact CE1-OD2 3.08Å; H596-D598 PolarHBondContact ND1-N 2.67Å; H596-D598 PolarHBondContact O-N 2.91Å
599R93.8Very high93.9Very high116 Ų11647.5 Ų47.544%0.43825%0.247SC..G310 helixtrans-144.334.6-173.757.2-174.4179.8-85.7-8.4112.4Y499 E584 S594 H596 P597Y499-R599 PolarHBondContact OH-NH2 3.4Å; E584-R599 WeakPolarHBondContact OE1-CD 3.28Å; E584-R599 WeakPolarHBondContact OE1-CG 3.25Å; E584-R599 IonicContact OE1-CZ 3.71Å; E584-R599 IonicContact OE1-NE 2.8Å; E584-R599 PolarHBondContact OE1-NE 2.9Å; E584-R599 IonicContact OE1-NH2 2.84Å; E584-R599 IonicContact OE2-CZ 3.25Å; E584-R599 VanDerWaalsContact OE2-CZ 3.23Å; E584-R599 IonicContact OE2-NE 3.97Å; E584-R599 PolarHBondContact OE2-NE 2.55Å; E584-R599 IonicContact OE2-NH2 2.84Å; E584-R599 PolarHBondContact OE2-NH2 3.15Å; S594-R599 WeakPolarHBondContact CB-O 3.47Å; S594-R599 PolarHBondContact OG-O 2.81Å; H596-R599 HydrophobicContact CB-CG 3.89Å; H596-R599 PolarHBondContact CD2-NH2 3.42Å; H596-R599 PolarHBondContact CE1-NH1 3.22Å; H596-R599 PolarHBondContact NE2-NH1 3.29Å; H596-R599 CarbonylContact O-C 3.6Å; H596-R599 PolarHBondContact O-N 2.85Å; P597-R599 VanDerWaalsContact C-N 3.34Å; P597-R599 PolarHBondContact O-N 3.1Å
600H93.4Very high93.9Very high60 Ų6042 Ų4228%0.27822%0.222SC..PPolyproline II helixtrans-60136.1-178.3-168.5-74.9000110.2S594 H596 M604S594-H600 WeakPolarHBondContact O-CA 3.42Å; H596-H600 VanDerWaalsContact O-CA 3.3Å; H596-H600 WeakPolarHBondContact O-CA 3.34Å; H596-H600 WeakPolarHBondContact O-CB 3.4Å; H596-H600 PolarHBondContact O-N 3.28Å; H600-M604 PolarHBondContact CE1-O 3.4Å
601S93.6Very high93.9Very high6 Ų636.5 Ų36.54%0.04219%0.193CC..PPolyproline II helixtrans-58.2124.6175.3-75.10000110.5F330 L593 S594 Q603 M604F330-S601 VanDerWaalsContact CE1-CB 3.4Å; L593-S601 WeakPolarHBondContact CA-OG 3.49Å; S594-S601 PolarHBondContact N-OG 2.9Å; S594-S601 PolarHBondContact O-N 3.09Å; S601-Q603 PolarHBondContact O-N 2.99Å; S601-M604 WeakPolarHBondContact O-CB 3.18Å; S601-M604 PolarHBondContact O-N 3.23Å
602P85.1Confident93.9Very high89 Ų8935.9 Ų35.958%0.57819%0.189SC*.THydrogen-bonded Turntrans-57.6127.9-175-26.334.1000112.2F330 M604F330-P602 WeakPolarHBondContact CD2-O 3.37Å; F330-P602 WeakPolarHBondContact CG-O 3.43Å; P602-M604 PolarHBondContact O-N 3.31Å; P602-M604 VanDerWaalsContact O-N 3.08Å
603Q81.3Confident93.9Very high130 Ų13032.7 Ų32.761%0.60717%0.17SC*.THydrogen-bonded Turntrans6113176.6-51.4177.90.100115.5S601 V605S601-Q603 PolarHBondContact O-N 2.99Å; Q603-V605 WeakPolarHBondContact O-CG1 3.41Å
604M89.9Confident93.7Very high1 Ų132.7 Ų32.71%0.00517%0.17CC..  trans-70.3130.8172.8-169.9179.572.800109.5Y295 D328 F330 L593 S594 T595 H600 S601 P602 W607Y295-M604 WeakPolarHBondContact CD2-O 3.27Å; D328-M604 VanDerWaalsContact OD2-CG 3.28Å; D328-M604 WeakPolarHBondContact OD2-CG 3.47Å; F330-M604 HydrophobicContact CD1-CB 4.25Å; L593-M604 HydrophobicContact CB-SD 4.23Å; L593-M604 HydrophobicContact CD2-SD 4.04Å; S594-M604 WeakPolarHBondContact O-CE 2.97Å; T595-M604 HydrophobicContact CG2-CE 3.52Å; H600-M604 PolarHBondContact CE1-O 3.4Å; S601-M604 WeakPolarHBondContact O-CB 3.18Å; S601-M604 PolarHBondContact O-N 3.23Å; P602-M604 PolarHBondContact O-N 3.31Å; P602-M604 VanDerWaalsContact O-N 3.08Å; M604-W607 HydrophobicContact CE-CE3 3.76Å; M604-W607 HydrophobicContact CE-CZ3 4.15Å; M604-W607 HydrophobicContact CG-CE3 4.13Å; M604-W607 HydrophobicContact CG-CZ3 4.02Å; M604-W607 HydrophobicContact SD-CE3 3.68Å; M604-W607 HydrophobicContact SD-CZ3 3.45Å; M604-W607 WeakPolarHBondContact SD-CZ3 3.42Å
605V88Confident93.4Very high15 Ų1534.9 Ų34.99%0.09118%0.18CC..  trans-124.3-5.6-170.7-62.80000113.3L294 Y295 D328 Q603 W607L294-V605 HydrophobicContact CD2-CG1 4.4Å; L294-V605 HydrophobicContact CG-CG1 4.14Å; Y295-V605 HydrophobicContact CD2-CB 4.38Å; Y295-V605 HydrophobicContact CD2-CG1 4.06Å; D328-V605 HydrophobicContact CB-CG2 3.61Å; D328-V605 PolarHBondContact OD2-N 3.22Å; Q603-V605 WeakPolarHBondContact O-CG1 3.41Å; V605-W607 PolarHBondContact O-N 3.26Å
606S91.1Very high93.1Very high27 Ų2741.7 Ų41.719%0.18921%0.206CC..SBendtrans-67.7-27.2-173.4-67.90000114.9D328 K331D328-S606 WeakPolarHBondContact CB-OG 3.39Å; D328-S606 VanDerWaalsContact CG-OG 3.27Å; D328-S606 VanDerWaalsContact OD2-CB 3.28Å; D328-S606 WeakPolarHBondContact OD2-CB 3.36Å; D328-S606 PolarHBondContact OD2-N 3.33Å; D328-S606 PolarHBondContact OD2-OG 2.84Å; K331-S606 WeakPolarHBondContact CD-OG 3.5Å; K331-S606 WeakPolarHBondContact CE-OG 3.46Å; K331-S606 PolarHBondContact NZ-OG 3.32Å
607W95.7Very high93Very high15 Ų1543 Ų436%0.05722%0.215CC..  trans-134.1125.9-172.2-58.8-85000112.1K331 E463 L465 F583 L593 T595 M604 V605K331-W607 HydrophobicContact CD-CH2 3.29Å; K331-W607 HydrophobicContact CD-CZ2 4.03Å; K331-W607 HydrophobicContact CD-CZ3 3.89Å; K331-W607 HydrophobicContact CG-CH2 4.02Å; K331-W607 HydrophobicContact CG-CZ3 4.42Å; E463-W607 HydrophobicContact CG-CZ2 4.46Å; E463-W607 WeakPolarHBondContact OE1-CZ2 3.49Å; L465-W607 HydrophobicContact CB-CZ2 4.45Å; L465-W607 PolarHBondContact O-NE1 3.31Å; F583-W607 HydrophobicContact CE1-CB 4.17Å; F583-W607 AromaticContact CE1-CD2 3.76Å; F583-W607 HydrophobicContact CE1-CD2 3.76Å; F583-W607 HydrophobicContact CE1-CE3 4.15Å; F583-W607 AromaticContact CE1-CG 3.76Å; F583-W607 HydrophobicContact CE1-CG 3.76Å; F583-W607 AromaticContact CZ-CD2 3.79Å; F583-W607 HydrophobicContact CZ-CD2 3.79Å; F583-W607 AromaticContact CZ-CE2 3.97Å; F583-W607 AromaticContact CZ-CE3 3.87Å; F583-W607 HydrophobicContact CZ-CE3 3.87Å; F583-W607 HydrophobicContact CZ-CG 4.29Å; F583-W607 HydrophobicContact CZ-CH2 4.31Å; F583-W607 HydrophobicContact CZ-CZ2 4.23Å; F583-W607 HydrophobicContact CZ-CZ3 4.17Å; L593-W607 HydrophobicContact CD1-CH2 4.02Å; L593-W607 HydrophobicContact CD1-CZ3 4.25Å; T595-W607 HydrophobicContact CG2-CB 3.73Å; T595-W607 HydrophobicContact CG2-CG 4.49Å; M604-W607 HydrophobicContact CE-CE3 3.76Å; M604-W607 HydrophobicContact CE-CZ3 4.15Å; M604-W607 HydrophobicContact CG-CE3 4.13Å; M604-W607 HydrophobicContact CG-CZ3 4.02Å; M604-W607 HydrophobicContact SD-CE3 3.68Å; M604-W607 HydrophobicContact SD-CZ3 3.45Å; M604-W607 WeakPolarHBondContact SD-CZ3 3.42Å; V605-W607 PolarHBondContact O-N 3.26Å
608F96Very high93.2Very high24 Ų2440.3 Ų40.311%0.10520%0.197CC..PPolyproline II helixtrans-88.6157159.7-57.1-30.9000110.4Y295 L302 S467 V531 R533Y295-F608 HydrophobicContact CD2-CE1 4.4Å; Y295-F608 AromaticContact CE2-CD1 3.72Å; Y295-F608 HydrophobicContact CE2-CD1 3.72Å; Y295-F608 AromaticContact CE2-CE1 3.58Å; Y295-F608 HydrophobicContact CE2-CE1 3.58Å; Y295-F608 AromaticContact CZ-CD1 3.83Å; Y295-F608 AromaticContact CZ-CE1 3.92Å; Y295-F608 WeakPolarHBondContact OH-CD1 3.44Å; L302-F608 HydrophobicContact CB-CE2 4.12Å; L302-F608 HydrophobicContact CD1-CE2 3.82Å; L302-F608 HydrophobicContact CD1-CZ 4.16Å; S467-F608 WeakPolarHBondContact CB-O 3.47Å; S467-F608 PolarHBondContact OG-O 3.44Å; V531-F608 HydrophobicContact CG1-CB 3.76Å; V531-F608 HydrophobicContact CG1-CD2 4.39Å; R533-F608 HydrophobicContact CB-CD1 4.14Å; R533-F608 HydrophobicContact CB-CD2 3.74Å; R533-F608 HydrophobicContact CB-CE1 4.24Å; R533-F608 HydrophobicContact CB-CE2 3.84Å; R533-F608 HydrophobicContact CB-CG 3.9Å; R533-F608 HydrophobicContact CB-CZ 4.1Å; R533-F608 HydrophobicContact CG-CD1 4.49Å; R533-F608 HydrophobicContact CG-CE1 4.34Å; R533-F608 HydrophobicContact CG-CZ 4.41Å
609P97.5Very high93.3Very high13 Ų1337.9 Ų37.98%0.08418%0.182CC..PPolyproline II helixtrans-54.1152.8174.5-27.835.9000113.5V531 V532 L534 G581 Y582V531-P609 WeakPolarHBondContact CA-O 3.39Å; V532-P609 PolarHBondContact N-O 3.35Å; V532-P609 WeakPolarHBondContact O-CD 3.29Å; L534-P609 HydrophobicContact CD1-CB 3.85Å; L534-P609 HydrophobicContact CD1-CG 3.95Å; L534-P609 HydrophobicContact CG-CB 4.11Å; L534-P609 HydrophobicContact CG-CG 4.09Å; G581-P609 WeakPolarHBondContact O-CA 3.5Å; Y582-P609 HydrophobicContact CD1-CB 4.08Å; Y582-P609 HydrophobicContact CD1-CG 4Å; Y582-P609 HydrophobicContact CE1-CB 3.79Å; Y582-P609 HydrophobicContact CE1-CG 3.59Å
610L98Very high93.4Very high1 Ų132.5 Ų32.51%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-87.9150.6167.5-16273.3000109.5P309 F468 P529 Y530 V531 A580 G581 F612P309-L610 HydrophobicContact CB-CD1 4.38Å; P309-L610 HydrophobicContact CG-CD1 3.67Å; F468-L610 HydrophobicContact CB-CB 4.26Å; F468-L610 HydrophobicContact CB-CD2 3.55Å; F468-L610 HydrophobicContact CD1-CD2 4.45Å; F468-L610 HydrophobicContact CD2-CD2 4.44Å; F468-L610 HydrophobicContact CG-CD2 3.94Å; P529-L610 HydrophobicContact CB-CD1 4.14Å; P529-L610 HydrophobicContact CB-CD2 3.94Å; P529-L610 HydrophobicContact CB-CG 4.04Å; Y530-L610 CarbonylContact O-C 3.56Å; Y530-L610 VanDerWaalsContact O-CA 3.31Å; Y530-L610 WeakPolarHBondContact O-CA 3.49Å; V531-L610 HydrophobicContact CG2-CD1 3.97Å; A580-L610 CarbonylContact C-O 3.59Å; A580-L610 WeakPolarHBondContact CA-O 3.41Å; G581-L610 PolarHBondContact N-O 2.96Å; G581-L610 PolarHBondContact O-N 3.45Å; L610-F612 HydrophobicContact CD2-CE1 4.15Å; L610-F612 HydrophobicContact CD2-CE2 3.76Å; L610-F612 HydrophobicContact CD2-CZ 3.48Å; L610-F612 VanDerWaalsContact CD2-CZ 3.48Å; L610-F612 HydrophobicContact CG-CE2 4.44Å
611V98.3Very high93.4Very high1 Ų134.5 Ų34.51%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-129.5126174.6177.10000109.3L503 I508 P529 Y530 V532 L534 I579 P613L503-V611 HydrophobicContact CD2-CB 4.47Å; L503-V611 HydrophobicContact CD2-CG1 3.75Å; L503-V611 HydrophobicContact CD2-CG2 3.86Å; I508-V611 HydrophobicContact CG2-CG1 4.21Å; P529-V611 CarbonylContact C-O 3.59Å; P529-V611 WeakPolarHBondContact CA-O 3.15Å; Y530-V611 PolarHBondContact N-O 3.06Å; Y530-V611 PolarHBondContact O-N 3.03Å; V532-V611 HydrophobicContact CB-CG2 4.07Å; V532-V611 HydrophobicContact CG2-CB 4.23Å; V532-V611 HydrophobicContact CG2-CG2 3.85Å; L534-V611 HydrophobicContact CD2-CG2 3.82Å; I579-V611 CarbonylContact O-C 3.32Å; I579-V611 WeakPolarHBondContact O-CA 3.26Å; V611-P613 WeakPolarHBondContact O-CD 3.26Å
612F97.9Very high93.3Very high1 Ų136.7 Ų36.70%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-99.1101.7168.6-59.1-90.1000108.7F468 P529 G578 I579 L610 L630 Y641 W643F468-F612 HydrophobicContact CD1-CE2 4.37Å; F468-F612 AromaticContact CD1-CZ 3.98Å; F468-F612 HydrophobicContact CD1-CZ 3.98Å; F468-F612 HydrophobicContact CD2-CE2 4.17Å; F468-F612 HydrophobicContact CE1-CE2 4.15Å; F468-F612 AromaticContact CE1-CZ 3.88Å; F468-F612 HydrophobicContact CE1-CZ 3.88Å; F468-F612 AromaticContact CE2-CE2 3.93Å; F468-F612 HydrophobicContact CE2-CE2 3.93Å; F468-F612 HydrophobicContact CE2-CZ 4.46Å; F468-F612 HydrophobicContact CG-CE2 4.38Å; F468-F612 HydrophobicContact CG-CZ 4.32Å; F468-F612 AromaticContact CZ-CE2 3.93Å; F468-F612 HydrophobicContact CZ-CE2 3.93Å; F468-F612 HydrophobicContact CZ-CZ 4.14Å; P529-F612 HydrophobicContact CB-CD1 3.92Å; P529-F612 HydrophobicContact CB-CE1 3.9Å; P529-F612 HydrophobicContact CG-CE1 4.46Å; G578-F612 CarbonylContact C-O 3.55Å; G578-F612 WeakPolarHBondContact CA-O 3.39Å; I579-F612 HydrophobicContact CB-CB 4.22Å; I579-F612 HydrophobicContact CB-CD2 4.41Å; I579-F612 PolarHBondContact N-O 3.42Å; I579-F612 PolarHBondContact O-N 3.49Å; L610-F612 HydrophobicContact CD2-CE1 4.15Å; L610-F612 HydrophobicContact CD2-CE2 3.76Å; L610-F612 HydrophobicContact CD2-CZ 3.48Å; L610-F612 VanDerWaalsContact CD2-CZ 3.48Å; L610-F612 HydrophobicContact CG-CE2 4.44Å; F612-L630 HydrophobicContact CE1-CD1 4.5Å; F612-Y641 HydrophobicContact CE1-CD2 4.05Å; F612-Y641 HydrophobicContact CE1-CG 4.13Å; F612-Y641 HydrophobicContact CZ-CD2 4.4Å; F612-W643 HydrophobicContact CB-CD2 4.08Å; F612-W643 HydrophobicContact CB-CG 4.39Å; F612-W643 HydrophobicContact CB-CZ2 4.11Å; F612-W643 HydrophobicContact CD1-CD2 4.01Å; F612-W643 AromaticContact CD1-CE3 3.7Å; F612-W643 HydrophobicContact CD1-CE3 3.7Å; F612-W643 HydrophobicContact CD1-CH2 4.11Å; F612-W643 HydrophobicContact CD1-CZ2 4.4Å; F612-W643 AromaticContact CD1-CZ3 3.77Å; F612-W643 HydrophobicContact CD1-CZ3 3.77Å; F612-W643 HydrophobicContact CE1-CE3 4.38Å; F612-W643 HydrophobicContact CE1-CZ3 4.42Å; F612-W643 HydrophobicContact CG-CD2 4.43Å
613P96.6Very high93.6Very high2 Ų243.1 Ų43.11%0.01320%0.2CC..EExtended strand (participates in β ladder)trans-71.2162.6-176.527.7-32.9000112.5T512 M526 T528 Y530 V611 W643T512-P613 HydrophobicContact CG2-CB 3.97Å; T512-P613 HydrophobicContact CG2-CG 3.98Å; M526-P613 HydrophobicContact SD-CB 4.21Å; T528-P613 WeakPolarHBondContact O-CD 3.47Å; T528-P613 WeakPolarHBondContact O-CG 3.5Å; Y530-P613 HydrophobicContact CD2-CG 4.42Å; Y530-P613 HydrophobicContact CE2-CG 4.34Å; V611-P613 WeakPolarHBondContact O-CD 3.26Å; P613-W643 PolarHBondContact O-NE1 3.04Å
614F94.9Very high94.3Very high1 Ų138.9 Ų38.90%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-112.1150.1166.3-68.7-62.5000111M526 V576 H577 I579 Y616 I618 W643 L645 T651 H654M526-F614 VanDerWaalsContact SD-O 3.33Å; V576-F614 HydrophobicContact CG1-CD2 4.1Å; V576-F614 HydrophobicContact CG1-CE2 3.87Å; H577-F614 PolarHBondContact O-N 3.37Å; I579-F614 HydrophobicContact CD1-CE2 3.86Å; I579-F614 HydrophobicContact CD1-CZ 3.99Å; I579-F614 HydrophobicContact CG1-CE2 3.87Å; I579-F614 HydrophobicContact CG1-CZ 3.76Å; F614-Y616 VanDerWaalsContact C-N 3.34Å; F614-Y616 PolarHBondContact O-N 3.23Å; F614-I618 HydrophobicContact CB-CD1 4.38Å; F614-I618 HydrophobicContact CD1-CD1 4.36Å; F614-I618 HydrophobicContact CD2-CD1 3.93Å; F614-I618 HydrophobicContact CE2-CD1 4.34Å; F614-I618 HydrophobicContact CG-CD1 3.97Å; F614-W643 AromaticContact CE1-CD1 3.48Å; F614-W643 VanDerWaalsContact CE1-CD1 3.48Å; F614-W643 AromaticContact CE1-NE1 3.84Å; F614-L645 HydrophobicContact CE1-CD1 4.4Å; F614-L645 HydrophobicContact CE1-CG 3.91Å; F614-L645 HydrophobicContact CE2-CD1 3.75Å; F614-L645 HydrophobicContact CE2-CG 4.04Å; F614-L645 HydrophobicContact CZ-CD1 3.69Å; F614-L645 HydrophobicContact CZ-CD2 3.83Å; F614-L645 HydrophobicContact CZ-CG 3.42Å; F614-L645 VanDerWaalsContact CZ-CG 3.42Å; F614-T651 HydrophobicContact CD1-CG2 4.25Å; F614-T651 HydrophobicContact CE1-CG2 4.44Å; F614-H654 AromaticContact CD1-CE1 3.71Å
615E90.9Very high94.7Very high48 Ų4842.6 Ų42.622%0.22420%0.197CC..EExtended strand (participates in β ladder)trans-66.8-38.8-177.8-173.2-176.5170.600111.7Y509 M526 K652 H654Y509-E615 PolarHBondContact OH-O 2.89Å; M526-E615 HydrophobicContact CB-CB 4.36Å; E615-K652 VanDerWaalsContact OE2-CD 3.3Å; E615-K652 WeakPolarHBondContact OE2-CD 3.37Å; E615-K652 WeakPolarHBondContact OE2-CE 3.29Å; E615-K652 IonicContact OE2-NZ 3.35Å; E615-K652 PolarHBondContact OE2-NZ 3.3Å; E615-H654 PolarHBondContact N-NE2 2.78Å
616Y91.7Very high95.2Very high145 Ų14541.9 Ų41.957%0.56919%0.193SC*.EExtended strand (participates in β ladder)trans-125.2141.8179.5-57.7-75.6000109.7F614 I618F614-Y616 VanDerWaalsContact C-N 3.34Å; F614-Y616 PolarHBondContact O-N 3.23Å; Y616-I618 WeakPolarHBondContact O-CG1 3.44Å
617P94.6Very high95.5Very high32 Ų3240.8 Ų40.821%0.20819%0.185CC..EExtended strand (participates in β ladder)trans-61.3143172.5-18.531.8000111.1Y509 V575 R649Y509-P617 HydrophobicContact CD1-CG 4.3Å; Y509-P617 HydrophobicContact CD2-CG 4.48Å; Y509-P617 HydrophobicContact CE1-CG 3.88Å; Y509-P617 HydrophobicContact CE2-CG 4.09Å; V575-P617 HydrophobicContact CG1-CB 3.38Å; P617-R649 PolarHBondContact O-NH2 3.19Å
618I96Very high95.6Very high2 Ų240.1 Ų40.11%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-117.5104.2-174.8-54.3164.7000108.1V575 V576 F614 Y616 V620 L645 R649 T651V575-I618 WeakPolarHBondContact CA-O 3.31Å; V576-I618 HydrophobicContact CB-CB 4.17Å; V576-I618 PolarHBondContact N-O 3.33Å; V576-I618 PolarHBondContact O-N 3.41Å; F614-I618 HydrophobicContact CB-CD1 4.38Å; F614-I618 HydrophobicContact CD1-CD1 4.36Å; F614-I618 HydrophobicContact CD2-CD1 3.93Å; F614-I618 HydrophobicContact CE2-CD1 4.34Å; F614-I618 HydrophobicContact CG-CD1 3.97Å; Y616-I618 WeakPolarHBondContact O-CG1 3.44Å; I618-V620 HydrophobicContact CG2-CG1 4.32Å; I618-L645 HydrophobicContact CD1-CD1 3.57Å; I618-L645 HydrophobicContact CD1-CG 4.38Å; I618-R649 HydrophobicContact CG2-CG 4.37Å; I618-T651 HydrophobicContact CD1-CG2 3.35Å; I618-T651 HydrophobicContact CG1-CG2 4.3Å
619H95.4Very high95.8Very high67 Ų6743 Ų4331%0.3119%0.193SC..EExtended strand (participates in β ladder)trans-67.8132.9174.7-62.1-93.9000109.5T192T192-H619 PolarHBondContact OG1-CE1 3.37Å
620V95.3Very high95.8Very high2 Ų242.5 Ų42.51%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-133.6141.4177-62.80000108.3I570 D573 A574 V576 I618 D624 I626 P648I570-V620 HydrophobicContact CG1-CB 4.36Å; I570-V620 HydrophobicContact CG1-CG2 4.06Å; I570-V620 HydrophobicContact CG2-CG2 3.99Å; D573-V620 WeakPolarHBondContact CA-O 3.42Å; A574-V620 HydrophobicContact CB-CG2 3.75Å; A574-V620 PolarHBondContact N-O 3.02Å; A574-V620 WeakPolarHBondContact O-CG2 3.43Å; A574-V620 PolarHBondContact O-N 3.05Å; V576-V620 HydrophobicContact CG2-CG1 3.93Å; V576-V620 HydrophobicContact CG2-CG2 4.14Å; I618-V620 HydrophobicContact CG2-CG1 4.32Å; V620-D624 WeakPolarHBondContact CA-OD2 3.18Å; V620-D624 HydrophobicContact CB-CB 4.33Å; V620-I626 HydrophobicContact CG1-CD1 4.1Å; V620-I626 HydrophobicContact CG1-CG1 4.02Å; V620-P648 HydrophobicContact CG1-CG 3.94Å
621H93.9Very high95.9Very high102 Ų10245 Ų4547%0.47220%0.199SC..  trans-97.7161.8177.2-63.7-67.9000111.2D573 R623 D624D573-H621 IonicContact OD2-CE1 3.25Å; D573-H621 IonicContact OD2-CG 3.81Å; D573-H621 IonicContact OD2-ND1 3.29Å; D573-H621 PolarHBondContact OD2-ND1 3.48Å; H621-R623 PolarHBondContact O-N 3.14Å; H621-D624 IonicContact CD2-OD2 2.72Å; H621-D624 PolarHBondContact N-OD2 2.85Å; H621-D624 VanDerWaalsContact O-CB 3.23Å; H621-D624 WeakPolarHBondContact O-CB 3.26Å; H621-D624 PolarHBondContact O-N 2.7Å
622S91.3Very high95.9Very high52 Ų5245 Ų4536%0.36420%0.199SC..THydrogen-bonded Turntrans-52.5134.1168.5-175.90000110.1Q571 D573 D624Q571-S622 PolarHBondContact O-OG 2.74Å; D573-S622 PolarHBondContact OD1-N 3.02Å; S622-D624 PolarHBondContact O-N 3.03Å
623R92.1Very high95.9Very high225 Ų22546.8 Ų46.885%0.84921%0.209SC*.THydrogen-bonded Turntrans74.7-1.4-175.5-47.7172.2-179.8177-0.8115.4I570 H621I570-R623 WeakPolarHBondContact O-CA 3.08Å; I570-R623 PolarHBondContact O-N 3.49Å; H621-R623 PolarHBondContact O-N 3.14Å
624D95.7Very high96Very high41 Ų4149 Ų4922%0.21922%0.222CC..PPolyproline II helixtrans-61.9148.5168.3-77.5-6.4000110.4I570 V620 H621 S622I570-D624 WeakPolarHBondContact CB-O 3.46Å; I570-D624 PolarHBondContact N-O 2.97Å; V620-D624 WeakPolarHBondContact CA-OD2 3.18Å; V620-D624 HydrophobicContact CB-CB 4.33Å; H621-D624 IonicContact CD2-OD2 2.72Å; H621-D624 PolarHBondContact N-OD2 2.85Å; H621-D624 VanDerWaalsContact O-CB 3.23Å; H621-D624 WeakPolarHBondContact O-CB 3.26Å; H621-D624 PolarHBondContact O-N 2.7Å; S622-D624 PolarHBondContact O-N 3.03Å
625K97.4Very high96.1Very high78 Ų7851 Ų5134%0.33924%0.236SC..EExtended strand (participates in β ladder)trans-103.6126.4171.8-174.7-177.6170.8-131.50108.6S567 F568 T627 E647S567-K625 WeakPolarHBondContact OG-CE 3.29Å; S567-K625 PolarHBondContact OG-NZ 3.28Å; F568-K625 WeakPolarHBondContact O-CA 3.44Å; K625-T627 WeakPolarHBondContact CE-OG1 3.02Å; K625-T627 PolarHBondContact NZ-OG1 3.23Å; K625-E647 IonicContact NZ-OE2 3.93Å; K625-E647 PolarHBondContact NZ-OE2 2.92Å; K625-E647 CarbonylContact O-C 3.59Å; K625-E647 VanDerWaalsContact O-CB 3.22Å; K625-E647 WeakPolarHBondContact O-CB 3.47Å
626I98Very high96.2Very high0 Ų054.3 Ų54.30%026%0.264CS..EExtended strand (participates in β ladder)trans-95.9124.9168.1-64.3168.9000108.2P502 S567 F568 I570 V576 V620 L645 E647P502-I626 HydrophobicContact CB-CD1 3.87Å; P502-I626 HydrophobicContact CG-CD1 3.89Å; P502-I626 HydrophobicContact CG-CG2 4.43Å; S567-I626 CarbonylContact C-O 3.55Å; S567-I626 WeakPolarHBondContact CA-O 3.21Å; F568-I626 HydrophobicContact CB-CB 4.34Å; F568-I626 HydrophobicContact CD2-CG2 4.41Å; F568-I626 PolarHBondContact N-O 3.06Å; F568-I626 PolarHBondContact O-N 3.43Å; I570-I626 HydrophobicContact CD1-CD1 3.45Å; I570-I626 VanDerWaalsContact CD1-CD1 3.45Å; I570-I626 HydrophobicContact CD1-CG1 4.26Å; I570-I626 HydrophobicContact CG1-CD1 3.62Å; I570-I626 HydrophobicContact CG1-CG1 3.94Å; V576-I626 HydrophobicContact CG2-CD1 3.45Å; V576-I626 VanDerWaalsContact CG2-CD1 3.45Å; V576-I626 HydrophobicContact CG2-CG1 4.5Å; V620-I626 HydrophobicContact CG1-CD1 4.1Å; V620-I626 HydrophobicContact CG1-CG1 4.02Å; I626-L645 HydrophobicContact CG2-CD1 3.9Å; I626-L645 HydrophobicContact CG2-CD2 3.7Å; I626-L645 HydrophobicContact CG2-CG 4.37Å; I626-E647 WeakPolarHBondContact CA-O 3.33Å
627T98.5Very high96.4Very high4 Ų455.8 Ų55.83%0.02527%0.269CS..EExtended strand (participates in β ladder)trans-114.7112.2173.9-66.20000109.5C565 C566 S567 K625 Y629 L645 T646 E647C565-T627 VanDerWaalsContact SG-CG2 3.54Å; C566-T627 WeakPolarHBondContact O-CA 3.35Å; S567-T627 PolarHBondContact OG-OG1 3.42Å; K625-T627 WeakPolarHBondContact CE-OG1 3.02Å; K625-T627 PolarHBondContact NZ-OG1 3.23Å; T627-Y629 HydrophobicContact CG2-CD2 4.17Å; T627-Y629 HydrophobicContact CG2-CE2 3.62Å; T627-L645 CarbonylContact O-C 3.54Å; T627-L645 VanDerWaalsContact O-CA 3.28Å; T627-L645 WeakPolarHBondContact O-CA 3.42Å; T627-T646 WeakPolarHBondContact CB-OG1 3.27Å; T627-T646 WeakPolarHBondContact CG2-OG1 3.47Å; T627-T646 PolarHBondContact O-N 2.9Å; T627-E647 WeakPolarHBondContact CB-OE2 3.3Å; T627-E647 PolarHBondContact N-O 3.45Å; T627-E647 PolarHBondContact OG1-OE2 3.08Å
628L98.6Very high96.6Very high1 Ų158.8 Ų58.81%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-100126.6178.8170.368000109.3V500 C565 C566 F568 I579 W643 L645V500-L628 HydrophobicContact CB-CD2 4.12Å; V500-L628 HydrophobicContact CG2-CD2 3.91Å; C565-L628 CarbonylContact C-O 3.54Å; C565-L628 VanDerWaalsContact CA-O 3.29Å; C565-L628 WeakPolarHBondContact CA-O 3.46Å; C566-L628 HydrophobicContact CB-CB 4.48Å; C566-L628 PolarHBondContact N-O 3Å; C566-L628 PolarHBondContact O-N 2.69Å; F568-L628 HydrophobicContact CE2-CB 4.31Å; F568-L628 HydrophobicContact CE2-CD2 4.45Å; I579-L628 HydrophobicContact CD1-CD1 4.35Å; I579-L628 HydrophobicContact CD1-CD2 4.1Å; I579-L628 HydrophobicContact CG1-CD1 4.04Å; I579-L628 HydrophobicContact CG1-CD2 4.02Å; I579-L628 HydrophobicContact CG2-CD2 3.93Å; L628-W643 HydrophobicContact CD1-CB 4.27Å; L628-L645 HydrophobicContact CB-CD2 3.67Å; L628-L645 HydrophobicContact CD1-CD2 3.72Å; L628-L645 HydrophobicContact CG-CD2 4.3Å
629Y98.7Very high96.7Very high86 Ų8658.7 Ų58.734%0.33728%0.276SS..EExtended strand (participates in β ladder)trans-103.6133.1161.2-67-103.4000109.1V564 C565 T627 W631 W643 V644 T646V564-Y629 WeakPolarHBondContact O-CA 3.2Å; C565-Y629 HydrophobicContact CB-CD1 3.98Å; C565-Y629 HydrophobicContact CB-CE1 3.81Å; T627-Y629 HydrophobicContact CG2-CD2 4.17Å; T627-Y629 HydrophobicContact CG2-CE2 3.62Å; Y629-W631 HydrophobicContact CD1-CH2 4.41Å; Y629-W631 HydrophobicContact CD1-CZ2 4.09Å; Y629-W631 HydrophobicContact CG-CH2 4.08Å; Y629-W631 HydrophobicContact CG-CZ2 4.23Å; Y629-W643 VanDerWaalsContact O-CA 3.32Å; Y629-W643 WeakPolarHBondContact O-CA 3.48Å; Y629-V644 PolarHBondContact N-O 3.01Å; Y629-V644 PolarHBondContact O-N 3.08Å; Y629-T646 HydrophobicContact CD2-CG2 3.66Å; Y629-T646 HydrophobicContact CE2-CG2 3.63Å; Y629-T646 WeakPolarHBondContact CE2-OG1 3.28Å
630L98.7Very high96.8Very high2 Ų256.9 Ų56.91%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-134.1130.8178.7-179.673.6000108.7F468 V500 A546 F547 E563 V564 F612 E642 W643F468-L630 HydrophobicContact CE1-CD2 3.93Å; F468-L630 HydrophobicContact CZ-CD2 3.65Å; V500-L630 HydrophobicContact CG1-CD2 4.07Å; A546-L630 HydrophobicContact CB-CD2 4.33Å; F547-L630 HydrophobicContact CE2-CD2 3.75Å; F547-L630 HydrophobicContact CE2-CG 3.97Å; F547-L630 HydrophobicContact CZ-CB 4.25Å; F547-L630 HydrophobicContact CZ-CD2 3.78Å; F547-L630 HydrophobicContact CZ-CG 3.66Å; F547-L630 WeakPolarHBondContact CZ-O 3.45Å; E563-L630 WeakPolarHBondContact CA-O 3.46Å; V564-L630 HydrophobicContact CG1-CB 3.92Å; V564-L630 PolarHBondContact N-O 3.05Å; V564-L630 PolarHBondContact O-N 2.98Å; F612-L630 HydrophobicContact CE1-CD1 4.5Å; L630-E642 CarbonylContact C-O 3.51Å; L630-E642 WeakPolarHBondContact CA-O 3.5Å; L630-E642 WeakPolarHBondContact CD1-O 3.4Å; L630-W643 HydrophobicContact CD1-CB 3.71Å
631W98.8Very high97Very high54 Ų5456.9 Ų56.921%0.20527%0.267CS..EExtended strand (participates in β ladder)trans-117.6141.6177-61.4-92.2000110.4R562 E563 Y629 Y641 E642 V644R562-W631 CarbonylContact O-C 3.47Å; R562-W631 WeakPolarHBondContact O-CA 3.39Å; E563-W631 VanDerWaalsContact CB-CD1 3.41Å; E563-W631 HydrophobicContact CB-CG 4.33Å; E563-W631 PolarHBondContact OE2-NE1 3.28Å; Y629-W631 HydrophobicContact CD1-CH2 4.41Å; Y629-W631 HydrophobicContact CD1-CZ2 4.09Å; Y629-W631 HydrophobicContact CG-CH2 4.08Å; Y629-W631 HydrophobicContact CG-CZ2 4.23Å; W631-Y641 CarbonylContact O-C 3.6Å; W631-Y641 WeakPolarHBondContact O-CA 3.49Å; W631-E642 HydrophobicContact CB-CB 4.37Å; W631-E642 HydrophobicContact CE3-CB 4.01Å; W631-E642 PolarHBondContact N-O 3.14Å; W631-E642 PolarHBondContact O-N 3.03Å; W631-V644 HydrophobicContact CH2-CG1 3.58Å; W631-V644 HydrophobicContact CZ3-CB 4.45Å; W631-V644 HydrophobicContact CZ3-CG1 3.58Å
632R98.7Very high97.2Very high0 Ų053.4 Ų53.40%025%0.251CS..EExtended strand (participates in β ladder)trans-107.3108.7161.6-175.5-173.4-168.7-87.60.7107.4D470 E476 F547 N560 A561 R562 V639 Y641D470-R632 VanDerWaalsContact OD2-CD 3.3Å; D470-R632 WeakPolarHBondContact OD2-CD 3.39Å; D470-R632 IonicContact OD2-CZ 3.47Å; D470-R632 IonicContact OD2-NE 3.3Å; D470-R632 PolarHBondContact OD2-NE 2.91Å; D470-R632 IonicContact OD2-NH2 2.74Å; E476-R632 VanDerWaalsContact CD-NH2 3.3Å; E476-R632 IonicContact OE1-CZ 2.67Å; E476-R632 VanDerWaalsContact OE1-CZ 3.31Å; E476-R632 IonicContact OE1-NH1 3.23Å; E476-R632 PolarHBondContact OE1-NH1 3.35Å; E476-R632 IonicContact OE1-NH2 2.89Å; E476-R632 PolarHBondContact OE1-NH2 2.99Å; E476-R632 IonicContact OE2-CZ 3.29Å; E476-R632 IonicContact OE2-NH1 3.64Å; E476-R632 IonicContact OE2-NH2 3.5Å; E476-R632 PolarHBondContact OE2-NH2 2.9Å; F547-R632 HydrophobicContact CD2-CB 4.14Å; F547-R632 HydrophobicContact CE2-CB 3.73Å; F547-R632 HydrophobicContact CZ-CB 4.05Å; N560-R632 PolarHBondContact O-NH1 2.73Å; A561-R632 CarbonylContact C-O 3.59Å; A561-R632 WeakPolarHBondContact CA-O 3.34Å; R562-R632 HydrophobicContact CB-CB 4.09Å; R562-R632 PolarHBondContact N-O 3.09Å; R562-R632 PolarHBondContact O-N 3.11Å; R632-V639 HydrophobicContact CG-CG1 3.96Å; R632-Y641 HydrophobicContact CB-CD1 4.07Å; R632-Y641 HydrophobicContact CB-CE1 4.03Å; R632-Y641 HydrophobicContact CG-CD1 4.17Å; R632-Y641 HydrophobicContact CG-CE1 3.78Å
633N98.6Very high97.6Very high38 Ų3851 Ų5120%0.20323%0.233CC..EExtended strand (participates in β ladder)trans-98.6146-177.8-68.3-57.2000110.7V639 W640 E642N633-V639 VanDerWaalsContact O-CA 3.28Å; N633-V639 WeakPolarHBondContact O-CA 3.42Å; N633-V639 WeakPolarHBondContact O-CG1 3.47Å; N633-W640 HydrophobicContact CB-CD2 3.73Å; N633-W640 HydrophobicContact CB-CE3 4.24Å; N633-W640 HydrophobicContact CB-CG 4.24Å; N633-W640 HydrophobicContact CB-CH2 3.95Å; N633-W640 HydrophobicContact CB-CZ2 3.42Å; N633-W640 VanDerWaalsContact CB-CZ2 3.42Å; N633-W640 HydrophobicContact CB-CZ3 4.33Å; N633-W640 PolarHBondContact N-O 3.19Å; N633-W640 PolarHBondContact ND2-NE1 3.13Å; N633-W640 PolarHBondContact O-N 3.16Å; N633-E642 WeakPolarHBondContact ND2-CG 3.49Å; N633-E642 PolarHBondContact ND2-OE1 3.49Å
634V97.9Very high97.9Very high50 Ų5040.8 Ų40.830%0.30320%0.196SC..EExtended strand (participates in β ladder)trans-131140.1-176.4-178.80000109.7N560 A561 V639N560-V634 HydrophobicContact CB-CG2 4.33Å; A561-V634 HydrophobicContact CB-CG2 4.26Å; V634-V639 HydrophobicContact CG1-CG2 4.44Å; V634-V639 HydrophobicContact CG2-CG1 4.49Å; V634-V639 HydrophobicContact CG2-CG2 4.22Å
635S96.4Very high98Very high43 Ų4338.8 Ų38.830%0.30119%0.186SC..  trans-132.9-179.816968.70000109.6R637 Y638 L665S635-R637 PolarHBondContact O-N 2.84Å; S635-R637 PolarHBondContact OG-N 3.34Å; S635-Y638 PolarHBondContact N-O 3.32Å; S635-Y638 PolarHBondContact OG-N 2.81Å; S635-Y638 PolarHBondContact OG-O 2.79Å; S635-L665 WeakPolarHBondContact O-CD1 3.1Å
636S94.8Very high98Very high116 Ų11637.6 Ų37.681%0.81119%0.185SC*.SBendtrans-68.7-11.6176.256.60000114.9
637R96Very high98Very high177 Ų17741.2 Ų41.267%0.66820%0.202SC*.SBendtrans-126.6-19.8-175.8-63.7-173.4-177.9-166.60.4114.5S635 L665S635-R637 PolarHBondContact O-N 2.84Å; S635-R637 PolarHBondContact OG-N 3.34Å; R637-L665 PolarHBondContact O-N 3.02Å
638Y97.8Very high97.8Very high94 Ų9443.8 Ų43.837%0.36922%0.219SC..EExtended strand (participates in β ladder)trans-148.5150.7-169.4-57.9-73.6000111.7S635 K662 I663 A664S635-Y638 PolarHBondContact N-O 3.32Å; S635-Y638 PolarHBondContact OG-N 2.81Å; S635-Y638 PolarHBondContact OG-O 2.79Å; Y638-K662 HydrophobicContact CD1-CB 3.85Å; Y638-K662 HydrophobicContact CD1-CD 4.18Å; Y638-K662 HydrophobicContact CD2-CD 4.04Å; Y638-K662 HydrophobicContact CG-CB 4.14Å; Y638-K662 HydrophobicContact CG-CD 3.78Å; Y638-I663 VanDerWaalsContact CA-O 3.32Å; Y638-I663 WeakPolarHBondContact CA-O 3.44Å; Y638-A664 HydrophobicContact CD1-CB 4.11Å; Y638-A664 HydrophobicContact CE1-CB 4.02Å
639V98.5Very high97.5Very high0 Ų049.5 Ų49.50%024%0.24CC..EExtended strand (participates in β ladder)trans-116.5147162.5179.50000108.3L473 R632 N633 V634 I663 L665L473-V639 HydrophobicContact CD2-CB 3.64Å; L473-V639 HydrophobicContact CD2-CG1 4.15Å; L473-V639 HydrophobicContact CD2-CG2 3.51Å; R632-V639 HydrophobicContact CG-CG1 3.96Å; N633-V639 VanDerWaalsContact O-CA 3.28Å; N633-V639 WeakPolarHBondContact O-CA 3.42Å; N633-V639 WeakPolarHBondContact O-CG1 3.47Å; V634-V639 HydrophobicContact CG1-CG2 4.44Å; V634-V639 HydrophobicContact CG2-CG1 4.49Å; V634-V639 HydrophobicContact CG2-CG2 4.22Å; V639-I663 HydrophobicContact CB-CB 4.46Å; V639-I663 PolarHBondContact N-O 2.92Å; V639-I663 WeakPolarHBondContact O-CB 3.45Å; V639-I663 PolarHBondContact O-N 3.19Å; V639-L665 HydrophobicContact CG2-CD1 4.26Å; V639-L665 HydrophobicContact CG2-CD2 4.42Å; V639-L665 HydrophobicContact CG2-CG 4.3Å
640W98.2Very high97.4Very high30 Ų3050.3 Ų50.311%0.11426%0.256CS..EExtended strand (participates in β ladder)trans-153.8163.6173.666.197.2000111.2N633 E642 G658 Y661 K662N633-W640 HydrophobicContact CB-CD2 3.73Å; N633-W640 HydrophobicContact CB-CE3 4.24Å; N633-W640 HydrophobicContact CB-CG 4.24Å; N633-W640 HydrophobicContact CB-CH2 3.95Å; N633-W640 HydrophobicContact CB-CZ2 3.42Å; N633-W640 VanDerWaalsContact CB-CZ2 3.42Å; N633-W640 HydrophobicContact CB-CZ3 4.33Å; N633-W640 PolarHBondContact N-O 3.19Å; N633-W640 PolarHBondContact ND2-NE1 3.13Å; N633-W640 PolarHBondContact O-N 3.16Å; W640-E642 PolarHBondContact NE1-OE1 2.99Å; W640-G658 VanDerWaalsContact NE1-N 3.11Å; W640-Y661 WeakPolarHBondContact CB-O 3.5Å; W640-K662 HydrophobicContact CB-CG 4.32Å
641Y98.5Very high97.3Very high1 Ų151.7 Ų51.70%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-105.3145.8173.3-53.9-71.2000111.2F468 D470 N471 F547 F612 W631 R632 N655 I663F468-Y641 HydrophobicContact CD1-CE1 4.3Å; F468-Y641 HydrophobicContact CE1-CE1 4.4Å; D470-Y641 PolarHBondContact OD2-OH 2.77Å; N471-Y641 WeakPolarHBondContact CA-OH 3.22Å; N471-Y641 HydrophobicContact CB-CE2 3.88Å; N471-Y641 VanDerWaalsContact CB-OH 3.22Å; N471-Y641 WeakPolarHBondContact CB-OH 3.4Å; N471-Y641 PolarHBondContact N-OH 2.87Å; F547-Y641 HydrophobicContact CD2-CE1 4.46Å; F547-Y641 HydrophobicContact CE2-CD1 4.13Å; F547-Y641 HydrophobicContact CE2-CE1 4.14Å; F612-Y641 HydrophobicContact CE1-CD2 4.05Å; F612-Y641 HydrophobicContact CE1-CG 4.13Å; F612-Y641 HydrophobicContact CZ-CD2 4.4Å; W631-Y641 CarbonylContact O-C 3.6Å; W631-Y641 WeakPolarHBondContact O-CA 3.49Å; R632-Y641 HydrophobicContact CB-CD1 4.07Å; R632-Y641 HydrophobicContact CB-CE1 4.03Å; R632-Y641 HydrophobicContact CG-CD1 4.17Å; R632-Y641 HydrophobicContact CG-CE1 3.78Å; Y641-N655 WeakPolarHBondContact O-CB 3.47Å; Y641-N655 PolarHBondContact O-ND2 3.07Å; Y641-I663 HydrophobicContact CE2-CD1 3.82Å
642E98.5Very high97.1Very high29 Ų2952.9 Ų52.914%0.13627%0.271CS..EExtended strand (participates in β ladder)trans-126.7141.3168.6-63.2-179.4-165.700108.5L630 W631 N633 W640 I653 H654 N655 A657L630-E642 CarbonylContact C-O 3.51Å; L630-E642 WeakPolarHBondContact CA-O 3.5Å; L630-E642 WeakPolarHBondContact CD1-O 3.4Å; W631-E642 HydrophobicContact CB-CB 4.37Å; W631-E642 HydrophobicContact CE3-CB 4.01Å; W631-E642 PolarHBondContact N-O 3.14Å; W631-E642 PolarHBondContact O-N 3.03Å; N633-E642 WeakPolarHBondContact ND2-CG 3.49Å; N633-E642 PolarHBondContact ND2-OE1 3.49Å; W640-E642 PolarHBondContact NE1-OE1 2.99Å; E642-I653 HydrophobicContact CB-CG2 4.17Å; E642-H654 WeakPolarHBondContact CA-O 3.28Å; E642-N655 WeakPolarHBondContact CG-O 3.22Å; E642-A657 WeakPolarHBondContact OE1-CA 3.34Å; E642-A657 PolarHBondContact OE1-N 2.65Å
643W98.5Very high97Very high1 Ų156.8 Ų56.80%0.00429%0.291CS..EExtended strand (participates in β ladder)trans-141.9151.2179.563.8101.1000112.5E527 F612 P613 F614 L628 Y629 L630 H654 N655E527-W643 WeakPolarHBondContact O-CH2 3.17Å; F612-W643 HydrophobicContact CB-CD2 4.08Å; F612-W643 HydrophobicContact CB-CG 4.39Å; F612-W643 HydrophobicContact CB-CZ2 4.11Å; F612-W643 HydrophobicContact CD1-CD2 4.01Å; F612-W643 AromaticContact CD1-CE3 3.7Å; F612-W643 HydrophobicContact CD1-CE3 3.7Å; F612-W643 HydrophobicContact CD1-CH2 4.11Å; F612-W643 HydrophobicContact CD1-CZ2 4.4Å; F612-W643 AromaticContact CD1-CZ3 3.77Å; F612-W643 HydrophobicContact CD1-CZ3 3.77Å; F612-W643 HydrophobicContact CE1-CE3 4.38Å; F612-W643 HydrophobicContact CE1-CZ3 4.42Å; F612-W643 HydrophobicContact CG-CD2 4.43Å; P613-W643 PolarHBondContact O-NE1 3.04Å; F614-W643 AromaticContact CE1-CD1 3.48Å; F614-W643 VanDerWaalsContact CE1-CD1 3.48Å; F614-W643 AromaticContact CE1-NE1 3.84Å; L628-W643 HydrophobicContact CD1-CB 4.27Å; Y629-W643 VanDerWaalsContact O-CA 3.32Å; Y629-W643 WeakPolarHBondContact O-CA 3.48Å; L630-W643 HydrophobicContact CD1-CB 3.71Å; W643-H654 HydrophobicContact CD2-CB 3.64Å; W643-H654 AromaticContact CE2-CG 3.86Å; W643-H654 HydrophobicContact CE3-CB 4.18Å; W643-H654 HydrophobicContact CG-CB 4.06Å; W643-H654 HydrophobicContact CH2-CB 4.21Å; W643-H654 HydrophobicContact CZ2-CB 3.65Å; W643-H654 HydrophobicContact CZ3-CB 4.43Å; W643-H654 PolarHBondContact N-O 3.24Å; W643-H654 AromaticContact NE1-CG 3.61Å; W643-H654 PolarHBondContact O-N 3.4Å; W643-N655 HydrophobicContact CH2-CB 4.31Å; W643-N655 HydrophobicContact CZ3-CB 3.9Å
644V98.2Very high96.9Very high11 Ų1155.1 Ų55.17%0.06728%0.282CS..EExtended strand (participates in β ladder)trans-154.7142.6177.866.30000109.9Y629 W631 T651 I653Y629-V644 PolarHBondContact N-O 3.01Å; Y629-V644 PolarHBondContact O-N 3.08Å; W631-V644 HydrophobicContact CH2-CG1 3.58Å; W631-V644 HydrophobicContact CZ3-CB 4.45Å; W631-V644 HydrophobicContact CZ3-CG1 3.58Å; V644-T651 WeakPolarHBondContact CG2-O 3.32Å; V644-T651 WeakPolarHBondContact CG2-OG1 3.37Å; V644-I653 HydrophobicContact CB-CG1 4.21Å; V644-I653 HydrophobicContact CG2-CG1 4.3Å
645L98.1Very high96.8Very high0 Ų052.7 Ų52.70%027%0.267CS..EExtended strand (participates in β ladder)trans-94.5140.9162-59-173000109.2V576 I579 F614 I618 I626 T627 L628 P650 T651V576-L645 HydrophobicContact CG1-CD1 4.42Å; I579-L645 HydrophobicContact CD1-CD2 4.37Å; F614-L645 HydrophobicContact CE1-CD1 4.4Å; F614-L645 HydrophobicContact CE1-CG 3.91Å; F614-L645 HydrophobicContact CE2-CD1 3.75Å; F614-L645 HydrophobicContact CE2-CG 4.04Å; F614-L645 HydrophobicContact CZ-CD1 3.69Å; F614-L645 HydrophobicContact CZ-CD2 3.83Å; F614-L645 HydrophobicContact CZ-CG 3.42Å; F614-L645 VanDerWaalsContact CZ-CG 3.42Å; I618-L645 HydrophobicContact CD1-CD1 3.57Å; I618-L645 HydrophobicContact CD1-CG 4.38Å; I626-L645 HydrophobicContact CG2-CD1 3.9Å; I626-L645 HydrophobicContact CG2-CD2 3.7Å; I626-L645 HydrophobicContact CG2-CG 4.37Å; T627-L645 CarbonylContact O-C 3.54Å; T627-L645 VanDerWaalsContact O-CA 3.28Å; T627-L645 WeakPolarHBondContact O-CA 3.42Å; L628-L645 HydrophobicContact CB-CD2 3.67Å; L628-L645 HydrophobicContact CD1-CD2 3.72Å; L628-L645 HydrophobicContact CG-CD2 4.3Å; L645-P650 CarbonylContact O-C 3.49Å; L645-P650 WeakPolarHBondContact O-CA 3.47Å; L645-T651 HydrophobicContact CB-CG2 4.13Å; L645-T651 PolarHBondContact N-OG1 3.36Å; L645-T651 VanDerWaalsContact N-OG1 3.09Å; L645-T651 PolarHBondContact O-N 2.95Å
646T97.8Very high96.8Very high53 Ų5352.5 Ų52.533%0.32527%0.268SS..EExtended strand (participates in β ladder)trans-111-25.4174.758.30000113T627 Y629 R649T627-T646 WeakPolarHBondContact CB-OG1 3.27Å; T627-T646 WeakPolarHBondContact CG2-OG1 3.47Å; T627-T646 PolarHBondContact O-N 2.9Å; Y629-T646 HydrophobicContact CD2-CG2 3.66Å; Y629-T646 HydrophobicContact CE2-CG2 3.63Å; Y629-T646 WeakPolarHBondContact CE2-OG1 3.28Å; T646-R649 CarbonylContact O-C 3.37Å
647E97.4Very high96.8Very high76 Ų7650 Ų5036%0.35525%0.254SS..EExtended strand (participates in β ladder)trans-125.2145.9176.4-61.5-176.8109.500109.6K625 I626 T627 R649K625-E647 IonicContact NZ-OE2 3.93Å; K625-E647 PolarHBondContact NZ-OE2 2.92Å; K625-E647 CarbonylContact O-C 3.59Å; K625-E647 VanDerWaalsContact O-CB 3.22Å; K625-E647 WeakPolarHBondContact O-CB 3.47Å; I626-E647 WeakPolarHBondContact CA-O 3.33Å; T627-E647 WeakPolarHBondContact CB-OE2 3.3Å; T627-E647 PolarHBondContact N-O 3.45Å; T627-E647 PolarHBondContact OG1-OE2 3.08Å; E647-R649 VanDerWaalsContact C-N 3.26Å
648P95.4Very high96.7Very high58 Ų5841.6 Ų41.638%0.37722%0.223SC..SBendcis-73.7-12.7-2.631.2-36.6000113.5V620V620-P648 HydrophobicContact CG1-CG 3.94Å
649R93.1Very high96.4Very high121 Ų12141.8 Ų41.846%0.45723%0.227SC..SBendtrans-142.1150.1172.964.8179.6-174.6160.20.4110.4P617 I618 T646 E647P617-R649 PolarHBondContact O-NH2 3.19Å; I618-R649 HydrophobicContact CG2-CG 4.37Å; T646-R649 CarbonylContact O-C 3.37Å; E647-R649 VanDerWaalsContact C-N 3.26Å
650P96.1Very high96Very high103 Ų10343.2 Ų43.267%0.66924%0.236SC*.PPolyproline II helixtrans-70140.6177.727.8-33.9000112.3L645L645-P650 CarbonylContact O-C 3.49Å; L645-P650 WeakPolarHBondContact O-CA 3.47Å
651T96.4Very high95.7Very high30 Ų3043.1 Ų43.118%0.18424%0.236CC..PPolyproline II helixtrans-92.4172.6160.164.20000110F614 I618 V644 L645F614-T651 HydrophobicContact CD1-CG2 4.25Å; F614-T651 HydrophobicContact CE1-CG2 4.44Å; I618-T651 HydrophobicContact CD1-CG2 3.35Å; I618-T651 HydrophobicContact CG1-CG2 4.3Å; V644-T651 WeakPolarHBondContact CG2-O 3.32Å; V644-T651 WeakPolarHBondContact CG2-OG1 3.37Å; L645-T651 HydrophobicContact CB-CG2 4.13Å; L645-T651 PolarHBondContact N-OG1 3.36Å; L645-T651 VanDerWaalsContact N-OG1 3.09Å; L645-T651 PolarHBondContact O-N 2.95Å
652K95Very high95.5Very high80 Ų8046.6 Ų46.635%0.34825%0.251SS..PPolyproline II helixtrans-63161.4159.271.5176.8-172.8-173.70109.7E527 E615 H654E527-K652 WeakPolarHBondContact OE1-CE 3.31Å; E527-K652 IonicContact OE1-NZ 3.6Å; E527-K652 PolarHBondContact OE1-NZ 2.95Å; E615-K652 VanDerWaalsContact OE2-CD 3.3Å; E615-K652 WeakPolarHBondContact OE2-CD 3.37Å; E615-K652 WeakPolarHBondContact OE2-CE 3.29Å; E615-K652 IonicContact OE2-NZ 3.35Å; E615-K652 PolarHBondContact OE2-NZ 3.3Å; K652-H654 PolarHBondContact O-N 3.38Å; K652-H654 PolarHBondContact O-ND1 2.76Å
653I96.8Very high95.4Very high82 Ų8245.2 Ų45.242%0.42124%0.244SC..PPolyproline II helixtrans-74.6118.1164.8-61.2174.6000107.4E642 V644 A656E642-I653 HydrophobicContact CB-CG2 4.17Å; V644-I653 HydrophobicContact CB-CG1 4.21Å; V644-I653 HydrophobicContact CG2-CG1 4.3Å; I653-A656 HydrophobicContact CG2-CB 4.09Å
654H96.4Very high95.3Very high2 Ų246 Ų461%0.00925%0.251CS..BIsolated β-bridgetrans-81.5140.3177.4-70.170.5000110.6M526 E527 F614 E615 E642 W643 K652 A656M526-H654 PolarHBondContact O-CD2 3.41Å; M526-H654 VanDerWaalsContact O-CD2 3.32Å; E527-H654 HydrophobicContact CG-CB 4.18Å; F614-H654 AromaticContact CD1-CE1 3.71Å; E615-H654 PolarHBondContact N-NE2 2.78Å; E642-H654 WeakPolarHBondContact CA-O 3.28Å; W643-H654 HydrophobicContact CD2-CB 3.64Å; W643-H654 AromaticContact CE2-CG 3.86Å; W643-H654 HydrophobicContact CE3-CB 4.18Å; W643-H654 HydrophobicContact CG-CB 4.06Å; W643-H654 HydrophobicContact CH2-CB 4.21Å; W643-H654 HydrophobicContact CZ2-CB 3.65Å; W643-H654 HydrophobicContact CZ3-CB 4.43Å; W643-H654 PolarHBondContact N-O 3.24Å; W643-H654 AromaticContact NE1-CG 3.61Å; W643-H654 PolarHBondContact O-N 3.4Å; K652-H654 PolarHBondContact O-N 3.38Å; K652-H654 PolarHBondContact O-ND1 2.76Å; H654-A656 PolarHBondContact O-N 2.96Å
655N95.7Very high95.1Very high0 Ų048.4 Ų48.40%026%0.263CS..THydrogen-bonded Turntrans5732.7-179.3-166.435.4000114.2E527 Y641 E642 W643 A657 G658 V660 Y661E527-N655 HydrophobicContact CB-CB 4.34Å; E527-N655 WeakPolarHBondContact OE2-CA 3.29Å; E527-N655 PolarHBondContact OE2-N 3.03Å; Y641-N655 WeakPolarHBondContact O-CB 3.47Å; Y641-N655 PolarHBondContact O-ND2 3.07Å; E642-N655 WeakPolarHBondContact CG-O 3.22Å; W643-N655 HydrophobicContact CH2-CB 4.31Å; W643-N655 HydrophobicContact CZ3-CB 3.9Å; N655-A657 PolarHBondContact O-N 3.45Å; N655-G658 VanDerWaalsContact O-CA 3.22Å; N655-G658 WeakPolarHBondContact O-CA 3.37Å; N655-G658 PolarHBondContact O-N 3.4Å; N655-G658 VanDerWaalsContact OD1-CA 3.3Å; N655-G658 WeakPolarHBondContact OD1-CA 3.4Å; N655-V660 PolarHBondContact OD1-N 2.92Å; N655-V660 VanDerWaalsContact OD1-N 3.15Å; N655-Y661 PolarHBondContact ND2-O 2.89Å; N655-Y661 PolarHBondContact OD1-N 3.39Å; N655-Y661 PolarHBondContact OD1-O 2.97Å
656A95.3Very high94.9Very high38 Ų3850.8 Ų50.831%0.31428%0.277SS..G310 helixtrans-51.7132-179.100000112I653 H654 G658 H659I653-A656 HydrophobicContact CG2-CB 4.09Å; H654-A656 PolarHBondContact O-N 2.96Å; A656-G658 PolarHBondContact O-N 3.46Å; A656-G658 VanDerWaalsContact O-N 3.09Å; A656-H659 PolarHBondContact O-N 3.2Å; A656-H659 VanDerWaalsContact O-N 3.15Å; A656-H659 PolarHBondContact O-ND1 2.8Å
657A94.8Very high94.8Very high63 Ų6350.7 Ų50.752%0.52127%0.274SS..G310 helixtrans55.419.1-173.300000114.9E642 N655 H659 K662E642-A657 WeakPolarHBondContact OE1-CA 3.34Å; E642-A657 PolarHBondContact OE1-N 2.65Å; N655-A657 PolarHBondContact O-N 3.45Å; A657-H659 PolarHBondContact O-N 3.37Å; A657-K662 WeakPolarHBondContact O-CE 3.34Å; A657-K662 PolarHBondContact O-NZ 2.99Å
658G93.7Very high94.6Very high2 Ų249.3 Ų49.32%0.02127%0.269CS..G310 helixtrans62.125.8-175.400000113.1W640 N655 A656 V660 K662W640-G658 VanDerWaalsContact NE1-N 3.11Å; N655-G658 VanDerWaalsContact O-CA 3.22Å; N655-G658 WeakPolarHBondContact O-CA 3.37Å; N655-G658 PolarHBondContact O-N 3.4Å; N655-G658 VanDerWaalsContact OD1-CA 3.3Å; N655-G658 WeakPolarHBondContact OD1-CA 3.4Å; A656-G658 PolarHBondContact O-N 3.46Å; A656-G658 VanDerWaalsContact O-N 3.09Å; G658-V660 PolarHBondContact O-N 3.02Å; G658-K662 WeakPolarHBondContact O-CE 3.34Å; G658-K662 WeakPolarHBondContact O-CG 3.45Å
659H91.2Very high94.6Very high98 Ų9848.8 Ų48.845%0.45426%0.263SS..SBendtrans-63.9-16.6-169.475.1-81.2000114.4E527 A656 A657E527-H659 IonicContact OE2-CE1 3.72Å; E527-H659 PolarHBondContact OE2-CE1 3.44Å; E527-H659 IonicContact OE2-ND1 2.85Å; E527-H659 IonicContact OE2-NE2 2.83Å; E527-H659 PolarHBondContact OE2-NE2 2.95Å; A656-H659 PolarHBondContact O-N 3.2Å; A656-H659 VanDerWaalsContact O-N 3.15Å; A656-H659 PolarHBondContact O-ND1 2.8Å; A657-H659 PolarHBondContact O-N 3.37Å
660V90.9Very high94.7Very high30 Ų3044.3 Ų44.318%0.18225%0.251CS..SBendtrans-103.3-57176.21720000110.6Y524 E527 T528 N655 G658Y524-V660 HydrophobicContact CD1-CB 3.89Å; Y524-V660 HydrophobicContact CD1-CG1 3.65Å; Y524-V660 HydrophobicContact CD1-CG2 3.62Å; Y524-V660 HydrophobicContact CE1-CB 4.29Å; Y524-V660 HydrophobicContact CE1-CG2 3.8Å; Y524-V660 HydrophobicContact CG-CG1 4.12Å; Y524-V660 HydrophobicContact CG-CG2 4.12Å; Y524-V660 WeakPolarHBondContact O-CG1 3.35Å; E527-V660 HydrophobicContact CB-CB 3.99Å; E527-V660 HydrophobicContact CB-CG1 3.93Å; E527-V660 HydrophobicContact CB-CG2 3.83Å; T528-V660 WeakPolarHBondContact OG1-CG1 3.26Å; N655-V660 PolarHBondContact OD1-N 2.92Å; N655-V660 VanDerWaalsContact OD1-N 3.15Å; G658-V660 PolarHBondContact O-N 3.02Å
661Y92.6Very high94.6Very high27 Ų2740.3 Ų40.311%0.10622%0.223CC..  trans-124126.2-171.5-178-97.5000111.5Q311 T528 P529 W640 N655 I663Q311-Y661 PolarHBondContact NE2-OH 3Å; T528-Y661 HydrophobicContact CG2-CD2 3.89Å; T528-Y661 HydrophobicContact CG2-CE2 4.4Å; T528-Y661 HydrophobicContact CG2-CG 4.48Å; P529-Y661 HydrophobicContact CG-CD1 3.78Å; P529-Y661 HydrophobicContact CG-CE1 3.59Å; P529-Y661 HydrophobicContact CG-CE2 4.49Å; P529-Y661 HydrophobicContact CG-CG 4.31Å; W640-Y661 WeakPolarHBondContact CB-O 3.5Å; N655-Y661 PolarHBondContact ND2-O 2.89Å; N655-Y661 PolarHBondContact OD1-N 3.39Å; N655-Y661 PolarHBondContact OD1-O 2.97Å; Y661-I663 HydrophobicContact CE1-CD1 4.1Å; Y661-I663 HydrophobicContact CE1-CG1 3.64Å
662K94.2Very high94.5Very high74 Ų7441.1 Ų41.132%0.32223%0.226SC..  trans-138.7146.1173.2-57-168.4-176.1-1630110.6Y638 W640 A657 G658Y638-K662 HydrophobicContact CD1-CB 3.85Å; Y638-K662 HydrophobicContact CD1-CD 4.18Å; Y638-K662 HydrophobicContact CD2-CD 4.04Å; Y638-K662 HydrophobicContact CG-CB 4.14Å; Y638-K662 HydrophobicContact CG-CD 3.78Å; W640-K662 HydrophobicContact CB-CG 4.32Å; A657-K662 WeakPolarHBondContact O-CE 3.34Å; A657-K662 PolarHBondContact O-NZ 2.99Å; G658-K662 WeakPolarHBondContact O-CE 3.34Å; G658-K662 WeakPolarHBondContact O-CG 3.45Å
663I95.8Very high94.4Very high0 Ų038.1 Ų38.10%022%0.217CC..EExtended strand (participates in β ladder)trans-101.9115.9176.3-52.3172.4000105.9N471 L473 Y638 V639 Y641 Y661N471-I663 HydrophobicContact CB-CD1 4.41Å; L473-I663 HydrophobicContact CD1-CG2 3.55Å; L473-I663 HydrophobicContact CD2-CB 4.24Å; L473-I663 HydrophobicContact CD2-CG2 3.55Å; L473-I663 HydrophobicContact CG-CG2 3.42Å; L473-I663 VanDerWaalsContact CG-CG2 3.42Å; Y638-I663 VanDerWaalsContact CA-O 3.32Å; Y638-I663 WeakPolarHBondContact CA-O 3.44Å; V639-I663 HydrophobicContact CB-CB 4.46Å; V639-I663 PolarHBondContact N-O 2.92Å; V639-I663 WeakPolarHBondContact O-CB 3.45Å; V639-I663 PolarHBondContact O-N 3.19Å; Y641-I663 HydrophobicContact CE2-CD1 3.82Å; Y661-I663 HydrophobicContact CE1-CD1 4.1Å; Y661-I663 HydrophobicContact CE1-CG1 3.64Å
664A95.7Very high94.2Very high18 Ų1834.4 Ų34.415%0.14920%0.2CC..EExtended strand (participates in β ladder)trans-81.1132.9-172.800000111.5R314 L473 Y638R314-A664 HydrophobicContact CB-CB 4.29Å; R314-A664 HydrophobicContact CG-CB 4.03Å; L473-A664 WeakPolarHBondContact CD1-O 3.1Å; Y638-A664 HydrophobicContact CD1-CB 4.11Å; Y638-A664 HydrophobicContact CE1-CB 4.02Å
665L94.3Very high94Very high61 Ų6137.4 Ų37.432%0.31922%0.217SC..  trans-79.10173.8-76.5165.6000111.8L313 R449 L473 E476 S635 R637 V639L313-L665 WeakPolarHBondContact CD2-OXT 3.37Å; R449-L665 PolarHBondContact NH1-OXT 2.69Å; R449-L665 PolarHBondContact NH2-OXT 3.37Å; L473-L665 HydrophobicContact CD1-CD2 3.79Å; L473-L665 HydrophobicContact CD1-CG 4.25Å; L473-L665 HydrophobicContact CD2-CD2 4.48Å; E476-L665 HydrophobicContact CB-CD2 3.54Å; E476-L665 HydrophobicContact CG-CD2 3.59Å; S635-L665 WeakPolarHBondContact O-CD1 3.1Å; R637-L665 PolarHBondContact O-N 3.02Å; V639-L665 HydrophobicContact CG2-CD1 4.26Å; V639-L665 HydrophobicContact CG2-CD2 4.42Å; V639-L665 HydrophobicContact CG2-CG 4.3Å

Retrieved 665 of 665 residues in 1350.2 ms (Link to these results)

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