X6RBX4_HUMAN Loading...

Aminopeptidase O (putative)

AlphaFold DB , UniProt , Accession X6RBX4, Species HUMAN (Homo sapiens, Human), Gene AOPEP, Length 140 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
1S45.8Very low44.6Very low184 Ų184143.7 Ų143.7100%1.28782%0.818SS**  0111.20-65.70000110.3
2S44.3Very low45.3Very low118 Ų118137 Ų13783%0.82580%0.804SS**  trans-140.6120.9164.4177.10000106.4
3K42.4Very low46.8Very low191 Ų191133 Ų13383%0.8379%0.787SS**  trans-64.2127.7-167.7-88.4169.7162.7172.60111.4C5K3-C5 PolarHBondContact O-N 3.39Å; K3-C5 VanDerWaalsContact O-N 3.15Å
4Y43.6Very low49.4Very low223 Ų223133.2 Ų133.288%0.87578%0.777SS**  trans-64.3104.3153.5-83.1-97000107.6C6Y4-C6 PolarHBondContact O-N 3.15Å
5C44.6Very low52.3Low113 Ų113127.5 Ų127.576%0.76474%0.742SS**  trans-87.598.1163.8-71.60000106.8K3 D7K3-C5 PolarHBondContact O-N 3.39Å; K3-C5 VanDerWaalsContact O-N 3.15Å; C5-D7 PolarHBondContact O-N 3.19Å; C5-D7 VanDerWaalsContact O-N 3.12Å
6C44.8Very low54.9Low106 Ų106123.1 Ų123.172%0.71671%0.711SS**  trans-73.695.2168.6-47.80000107Y4 T8Y4-C6 PolarHBondContact O-N 3.15Å; C6-T8 PolarHBondContact O-N 2.88Å; C6-T8 VanDerWaalsContact O-N 3.15Å; C6-T8 PolarHBondContact O-OG1 3.35Å
7D45.2Very low57.2Low159 Ų159120.1 Ų120.185%0.8569%0.692SS**  trans-70111.8176.4-142.6-5.4000108.4C5 G9C5-D7 PolarHBondContact O-N 3.19Å; C5-D7 VanDerWaalsContact O-N 3.12Å; D7-G9 VanDerWaalsContact C-N 3.28Å; D7-G9 PolarHBondContact O-N 3.48Å
8T49.5Very low59.3Low138 Ų138115.9 Ų115.985%0.84767%0.666SS**  trans-90.671.9-179.3-45.90000106.8C6C6-T8 PolarHBondContact O-N 2.88Å; C6-T8 VanDerWaalsContact O-N 3.15Å; C6-T8 PolarHBondContact O-OG1 3.35Å
9G40.1Very low61.2Low47 Ų47113.7 Ų113.749%0.48566%0.655SS.*  trans-108.485.6-171.900000112.9D7 H11D7-G9 VanDerWaalsContact C-N 3.28Å; D7-G9 PolarHBondContact O-N 3.48Å; G9-H11 PolarHBondContact O-N 3.3Å
10N43.2Very low62.8Low163 Ų163111.2 Ų111.287%0.87264%0.638SS**  trans40.372148.8-15529.7000117G12N10-G12 VanDerWaalsContact C-N 3.31Å; N10-G12 PolarHBondContact O-N 2.84Å
11H46.9Very low64.1Low139 Ų139113.4 Ų113.464%0.64465%0.648SS**  trans-73.183.9173.8-59.1-70.6000110.8G9 S13 E14G9-H11 PolarHBondContact O-N 3.3Å; H11-S13 PolarHBondContact O-N 2.94Å; H11-S13 VanDerWaalsContact O-N 3.17Å; H11-E14 IonicContact CE1-OE1 3.3Å; H11-E14 PolarHBondContact CE1-OE1 2.53Å; H11-E14 VanDerWaalsContact CE1-OE1 3.3Å; H11-E14 IonicContact ND1-OE1 2.84Å; H11-E14 PolarHBondContact ND1-OE1 3.17Å
12G52.8Low65.8Low63 Ų63105.5 Ų105.565%0.64959%0.593SS**  trans-56.9114.1143.400000106N10 E14N10-G12 VanDerWaalsContact C-N 3.31Å; N10-G12 PolarHBondContact O-N 2.84Å; G12-E14 PolarHBondContact O-N 3.2Å
13S65.1Low67.3Low85 Ų85101.1 Ų101.159%0.59456%0.562SS**  trans-28.1106.4-171.2-157.80000113H11 Q109H11-S13 PolarHBondContact O-N 2.94Å; H11-S13 VanDerWaalsContact O-N 3.17Å; S13-Q109 VanDerWaalsContact C-OE1 3.3Å; S13-Q109 PolarHBondContact O-NE2 3.3Å; S13-Q109 PolarHBondContact O-OE1 3.43Å; S13-Q109 PolarHBondContact OG-OE1 2.64Å
14E83.3Confident69.1Low136 Ų13694.4 Ų94.464%0.63654%0.535SS*.PPolyproline II helixtrans-65.7135.3179.4-70.9175.4-165.900109.2H11 G12 Q109H11-E14 IonicContact CE1-OE1 3.3Å; H11-E14 PolarHBondContact CE1-OE1 2.53Å; H11-E14 VanDerWaalsContact CE1-OE1 3.3Å; H11-E14 IonicContact ND1-OE1 2.84Å; H11-E14 PolarHBondContact ND1-OE1 3.17Å; G12-E14 PolarHBondContact O-N 3.2Å; E14-Q109 PolarHBondContact O-OE1 3.39Å
15D92.5Very high71.1Confident48 Ų4885.4 Ų85.426%0.25750%0.502SS..PPolyproline II helixtrans-57.7146176.1-64.9-42.4000110.6L17 T106 G107 A108 Q109D15-L17 PolarHBondContact O-N 3.17Å; D15-T106 WeakPolarHBondContact OD2-CA 3.44Å; D15-G107 WeakPolarHBondContact OD1-CA 3.36Å; D15-G107 PolarHBondContact OD1-N 2.59Å; D15-A108 CarbonylContact C-O 3.49Å; D15-A108 WeakPolarHBondContact CA-O 3.41Å; D15-Q109 PolarHBondContact OD1-NE2 3.11Å
16F93.9Very high73.3Confident57 Ų5782.1 Ų82.125%0.2548%0.48CS..PPolyproline II helixtrans-55.4133.9172.8175.4-95.2000110.9L18 A108 A111 F114F16-L18 HydrophobicContact CE1-CB 4.07Å; F16-A108 WeakPolarHBondContact CB-O 3.45Å; F16-A108 PolarHBondContact N-O 3.15Å; F16-A111 HydrophobicContact CD2-CB 4.25Å; F16-A111 HydrophobicContact CE1-CB 4.31Å; F16-A111 HydrophobicContact CE2-CB 3.62Å; F16-A111 HydrophobicContact CZ-CB 3.65Å; F16-F114 HydrophobicContact CD1-CB 3.76Å; F16-F114 AromaticContact CD1-CD2 3.62Å; F16-F114 HydrophobicContact CD1-CD2 3.62Å; F16-F114 HydrophobicContact CD1-CE2 4.39Å; F16-F114 AromaticContact CD1-CG 3.77Å; F16-F114 HydrophobicContact CD1-CG 3.77Å; F16-F114 HydrophobicContact CE1-CB 3.99Å; F16-F114 HydrophobicContact CE1-CD1 4.44Å; F16-F114 HydrophobicContact CE1-CD2 4.15Å; F16-F114 AromaticContact CE1-CG 3.93Å; F16-F114 HydrophobicContact CE1-CG 3.93Å
17L94.5Very high75.6Confident72 Ų7277.9 Ų77.938%0.37745%0.451SS..EExtended strand (participates in β ladder)trans-113112.8-179.8-167.771.3000110.4D15 V19 Q102 R104D15-L17 PolarHBondContact O-N 3.17Å; L17-V19 HydrophobicContact CD2-CG2 3.9Å; L17-V19 HydrophobicContact CG-CG2 4.03Å; L17-Q102 HydrophobicContact CD1-CB 4.08Å; L17-Q102 HydrophobicContact CD2-CB 4.39Å; L17-Q102 HydrophobicContact CG-CB 4.4Å; L17-R104 HydrophobicContact CD1-CB 4.02Å
18L95.4Very high77.9Confident45 Ų4574.9 Ų74.924%0.23644%0.435CS..EExtended strand (participates in β ladder)trans-81.2117.7168.1176.364.5000108.8F16 L20 Q102 I103 F114 I118F16-L18 HydrophobicContact CE1-CB 4.07Å; L18-L20 HydrophobicContact CD1-CD2 4.13Å; L18-L20 HydrophobicContact CD2-CD2 4.37Å; L18-L20 HydrophobicContact CG-CD2 4.2Å; L18-L20 HydrophobicContact CG-CG 4.32Å; L18-Q102 CarbonylContact O-C 3.57Å; L18-Q102 WeakPolarHBondContact O-CA 3.39Å; L18-I103 HydrophobicContact CB-CB 4.36Å; L18-I103 HydrophobicContact CD2-CD1 4.25Å; L18-I103 PolarHBondContact N-O 3.01Å; L18-I103 PolarHBondContact O-N 2.8Å; L18-F114 HydrophobicContact CB-CE1 4Å; L18-F114 HydrophobicContact CB-CE2 4.43Å; L18-F114 HydrophobicContact CB-CZ 3.9Å; L18-F114 HydrophobicContact CD2-CD1 4.4Å; L18-F114 HydrophobicContact CD2-CE1 3.61Å; L18-F114 HydrophobicContact CD2-CZ 4.13Å; L18-F114 HydrophobicContact CG-CE1 4.44Å; L18-I118 HydrophobicContact CD2-CD1 3.97Å
19V94.3Very high80.2Confident74 Ų7471.2 Ų71.245%0.44841%0.407SS..EExtended strand (participates in β ladder)trans-108.7121.2175.9-174.30000108.8L17 Q102L17-V19 HydrophobicContact CD2-CG2 3.9Å; L17-V19 HydrophobicContact CG-CG2 4.03Å; V19-Q102 HydrophobicContact CG1-CG 4.47Å; V19-Q102 HydrophobicContact CG2-CG 4.36Å
20L93Very high82.9Confident62 Ų6269.1 Ų69.133%0.32538%0.384SS..EExtended strand (participates in β ladder)trans-108126.8175.6-60.2179000109.3L18 C22 S100 L101 I103 I120L18-L20 HydrophobicContact CD1-CD2 4.13Å; L18-L20 HydrophobicContact CD2-CD2 4.37Å; L18-L20 HydrophobicContact CG-CD2 4.2Å; L18-L20 HydrophobicContact CG-CG 4.32Å; L20-C22 PolarHBondContact O-N 3.12Å; L20-C22 VanDerWaalsContact O-N 3.1Å; L20-S100 CarbonylContact O-C 3.47Å; L20-S100 WeakPolarHBondContact O-CA 3.34Å; L20-S100 WeakPolarHBondContact O-CB 3.41Å; L20-L101 HydrophobicContact CB-CB 4.43Å; L20-L101 HydrophobicContact CD1-CD2 4.34Å; L20-L101 PolarHBondContact N-O 2.97Å; L20-L101 PolarHBondContact O-N 2.75Å; L20-I103 HydrophobicContact CD1-CD1 4.1Å; L20-I120 HydrophobicContact CD1-CD1 3.74Å
21D90.1Very high85.5Confident158 Ų15862 Ų6285%0.84535%0.346SS*.EExtended strand (participates in β ladder)trans-67.9106.9173-71.8-23.4000109.5
22C81.6Confident87.9Confident19 Ų1955.6 Ų55.613%0.12832%0.316CS..  trans-154.2138.8176.767.90000111.8L20 L25 W99 S100 L101L20-C22 PolarHBondContact O-N 3.12Å; L20-C22 VanDerWaalsContact O-N 3.1Å; C22-L25 HydrophobicContact CB-CD1 3.65Å; C22-L25 HydrophobicContact CB-CG 4.2Å; C22-W99 CarbonylContact C-O 3.57Å; C22-W99 PolarHBondContact N-O 2.75Å; C22-W99 CarbonylContact O-C 2.82Å; C22-W99 WeakPolarHBondContact O-CA 3.28Å; C22-S100 PolarHBondContact O-N 3.45Å; C22-L101 WeakPolarHBondContact SG-CB 3.25Å; C22-L101 PolarHBondContact SG-N 3Å; C22-L101 VanDerWaalsContact SG-N 3.36Å
23C75.8Confident89.9Confident26 Ų2653 Ų5318%0.17629%0.288CS..SBendtrans-113.9153178.7-26.10000110.1L25 T98 W99 S130C23-L25 PolarHBondContact O-N 3.04Å; C23-T98 WeakPolarHBondContact CA-O 3.26Å; C23-W99 HydrophobicContact CB-CE3 3.93Å; C23-W99 HydrophobicContact CB-CZ3 4.01Å; C23-W99 VanDerWaalsContact SG-CZ3 3.52Å; C23-S130 VanDerWaalsContact C-OG 3.25Å; C23-S130 VanDerWaalsContact CA-OG 3.25Å; C23-S130 WeakPolarHBondContact CA-OG 3.42Å; C23-S130 WeakPolarHBondContact CB-OG 3.48Å; C23-S130 PolarHBondContact N-OG 3.17Å; C23-S130 VanDerWaalsContact O-CB 3.22Å; C23-S130 WeakPolarHBondContact O-CB 3.41Å; C23-S130 PolarHBondContact O-OG 3.43Å
24D80.4Confident91.3Very high50 Ų5050.5 Ų50.527%0.26727%0.268SS..SBendtrans57.921.6168.7-50.9-50.4000115.8G128 R129D24-G128 VanDerWaalsContact CB-CA 3.4Å; D24-G128 WeakPolarHBondContact OD2-CA 3.47Å; D24-R129 PolarHBondContact OD2-N 2.9Å
25L86.2Confident91.8Very high33 Ų3344.2 Ų44.217%0.17324%0.239CC..EExtended strand (participates in β ladder)trans-92.7122.2172.9-61.1-172000109.9C22 C23 V27 Y122 T124 V131C22-L25 HydrophobicContact CB-CD1 3.65Å; C22-L25 HydrophobicContact CB-CG 4.2Å; C23-L25 PolarHBondContact O-N 3.04Å; L25-V27 HydrophobicContact CB-CG2 4.26Å; L25-V27 PolarHBondContact O-N 2.73Å; L25-Y122 HydrophobicContact CD2-CD2 3.72Å; L25-Y122 HydrophobicContact CD2-CE2 4.04Å; L25-Y122 HydrophobicContact CD2-CG 4.43Å; L25-T124 HydrophobicContact CD2-CG2 4.16Å; L25-V131 HydrophobicContact CD2-CG2 4.46Å
26S89.9Confident91.8Very high44 Ų4443.2 Ų43.231%0.30824%0.237SC..EExtended strand (participates in β ladder)trans-8895.3166-650000108.4Y122 K123 K125S26-Y122 CarbonylContact O-C 3.56Å; S26-Y122 VanDerWaalsContact O-CA 3.31Å; S26-Y122 WeakPolarHBondContact O-CA 3.38Å; S26-K123 PolarHBondContact N-O 2.95Å; S26-K123 PolarHBondContact O-N 3.18Å; S26-K125 WeakPolarHBondContact OG-CE 3.31Å
27V93.4Very high91.7Very high17 Ų1743 Ų4310%0.10325%0.246CC..EExtended strand (participates in β ladder)trans-79.2130.5179.9-176.50000110L25 V30 F94 T96 L101 I120L25-V27 HydrophobicContact CB-CG2 4.26Å; L25-V27 PolarHBondContact O-N 2.73Å; V27-V30 HydrophobicContact CG1-CG2 3.78Å; V27-F94 HydrophobicContact CB-CD2 3.98Å; V27-F94 HydrophobicContact CB-CE2 3.61Å; V27-F94 HydrophobicContact CB-CZ 4.32Å; V27-F94 HydrophobicContact CG1-CD2 3.66Å; V27-F94 HydrophobicContact CG1-CE1 4.37Å; V27-F94 HydrophobicContact CG1-CE2 3.46Å; V27-F94 VanDerWaalsContact CG1-CE2 3.46Å; V27-F94 HydrophobicContact CG1-CG 4.22Å; V27-F94 HydrophobicContact CG1-CZ 3.84Å; V27-F94 WeakPolarHBondContact O-CE2 3.48Å; V27-T96 HydrophobicContact CB-CG2 3.63Å; V27-T96 HydrophobicContact CG2-CG2 3.48Å; V27-T96 VanDerWaalsContact CG2-CG2 3.48Å; V27-L101 HydrophobicContact CB-CD1 4.4Å; V27-L101 HydrophobicContact CG1-CD1 4.31Å; V27-L101 HydrophobicContact CG2-CD1 4Å; V27-L101 HydrophobicContact CG2-CD2 3.95Å; V27-L101 HydrophobicContact CG2-CG 4.46Å; V27-I120 HydrophobicContact CG1-CG2 3.86Å; V27-I120 HydrophobicContact CG2-CG2 4.25Å
28L94.9Very high91.7Very high97 Ų9740 Ų4051%0.50823%0.23SC..EExtended strand (participates in β ladder)trans-103.2-36.6-175.3-55.6174.8000111.8W121 K123L28-W121 HydrophobicContact CB-CB 4.28Å; L28-W121 PolarHBondContact N-O 3.43Å; L28-K123 HydrophobicContact CD1-CD 4.21Å; L28-K123 HydrophobicContact CD1-CG 4.1Å; L28-K123 HydrophobicContact CD2-CD 4.34Å
29K96.8Very high91.5Very high61 Ų6142.1 Ų42.127%0.26525%0.247SC..EExtended strand (participates in β ladder)trans-159.9141.4-175.2-176.4-177.5-168.5-174.60109.5E31 E91 W121K29-E31 VanDerWaalsContact CE-OE2 3.26Å; K29-E31 WeakPolarHBondContact CE-OE2 3.5Å; K29-E31 IonicContact NZ-OE2 3.17Å; K29-E31 PolarHBondContact NZ-OE2 3.21Å; K29-E91 WeakPolarHBondContact CE-OE1 3.44Å; K29-E91 IonicContact NZ-OE1 3.11Å; K29-E91 PolarHBondContact NZ-OE1 3.3Å; K29-E91 VanDerWaalsContact NZ-OE1 3.11Å; K29-W121 HydrophobicContact CB-CB 4.08Å; K29-W121 HydrophobicContact CB-CG 4.16Å; K29-W121 PolarHBondContact N-O 2.96Å; K29-W121 PolarHBondContact O-N 3.45Å
30V97.8Very high91.3Very high2 Ų239.4 Ų39.41%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-123.7134.3164.9-173.10000108V27 L92 F94 I103 I118 R119 I120V27-V30 HydrophobicContact CG1-CG2 3.78Å; V30-L92 HydrophobicContact CB-CB 4.18Å; V30-L92 HydrophobicContact CG1-CB 3.95Å; V30-L92 HydrophobicContact CG1-CD1 4.02Å; V30-L92 HydrophobicContact CG1-CG 4.43Å; V30-L92 PolarHBondContact O-N 3.39Å; V30-F94 HydrophobicContact CB-CB 4.41Å; V30-F94 HydrophobicContact CB-CD1 4.02Å; V30-F94 HydrophobicContact CB-CG 4.43Å; V30-F94 HydrophobicContact CG2-CB 3.77Å; V30-F94 HydrophobicContact CG2-CD1 3.62Å; V30-F94 HydrophobicContact CG2-CD2 4.4Å; V30-F94 HydrophobicContact CG2-CE1 4.34Å; V30-F94 HydrophobicContact CG2-CG 3.66Å; V30-I103 HydrophobicContact CG1-CD1 4.02Å; V30-I103 HydrophobicContact CG1-CG1 4.43Å; V30-I103 HydrophobicContact CG1-CG2 3.85Å; V30-I103 HydrophobicContact CG2-CD1 4.47Å; V30-I103 HydrophobicContact CG2-CG1 4.5Å; V30-I118 HydrophobicContact CG1-CD1 4.36Å; V30-R119 WeakPolarHBondContact CA-O 3.36Å; V30-I120 HydrophobicContact CG1-CG1 4.16Å; V30-I120 HydrophobicContact CG2-CG1 4.23Å; V30-I120 HydrophobicContact CG2-CG2 4.36Å
31E97.4Very high91.2Very high13 Ų1336.5 Ų36.56%0.06122%0.219CC..EExtended strand (participates in β ladder)trans-142.8150.1178.366.2-169.5165.500111.9K29 G90 I118 R119 W121K29-E31 VanDerWaalsContact CE-OE2 3.26Å; K29-E31 WeakPolarHBondContact CE-OE2 3.5Å; K29-E31 IonicContact NZ-OE2 3.17Å; K29-E31 PolarHBondContact NZ-OE2 3.21Å; E31-G90 CarbonylContact C-O 3.6Å; E31-G90 WeakPolarHBondContact CA-O 3.16Å; E31-G90 WeakPolarHBondContact CB-O 3.32Å; E31-I118 CarbonylContact O-C 3.5Å; E31-I118 VanDerWaalsContact O-CA 3.26Å; E31-I118 WeakPolarHBondContact O-CA 3.31Å; E31-R119 HydrophobicContact CG-CB 4.08Å; E31-R119 PolarHBondContact N-O 3.07Å; E31-R119 PolarHBondContact O-N 3.39Å; E31-R119 IonicContact OE1-CZ 2.79Å; E31-R119 IonicContact OE1-NE 2.7Å; E31-R119 PolarHBondContact OE1-NE 3.49Å; E31-R119 IonicContact OE1-NH2 3.5Å; E31-R119 PolarHBondContact OE1-NH2 2.85Å; E31-W121 PolarHBondContact OE1-NE1 3.23Å
32E95.9Very high90.9Very high6 Ų634.4 Ų34.43%0.02820%0.204CC..EExtended strand (participates in β ladder)trans-71.7139166.6179.8173.4172.500110.1R58 G88 C89 G90 K105 P115E32-R58 IonicContact OE1-CZ 3.16Å; E32-R58 IonicContact OE1-NE 2.74Å; E32-R58 PolarHBondContact OE1-NE 3.28Å; E32-R58 IonicContact OE1-NH2 2.75Å; E32-R58 PolarHBondContact OE1-NH2 3.4Å; E32-R58 IonicContact OE2-NH2 3.75Å; E32-G88 CarbonylContact O-C 3.59Å; E32-G88 VanDerWaalsContact O-CA 3.28Å; E32-G88 WeakPolarHBondContact O-CA 3.34Å; E32-C89 PolarHBondContact O-N 3.35Å; E32-G90 PolarHBondContact N-O 3.02Å; E32-K105 IonicContact OE2-NZ 2.8Å; E32-K105 PolarHBondContact OE2-NZ 3.01Å; E32-P115 HydrophobicContact CB-CB 4.15Å; E32-P115 HydrophobicContact CB-CG 4.14Å; E32-P115 HydrophobicContact CG-CB 3.64Å; E32-P115 HydrophobicContact CG-CG 3.94Å; E32-P115 VanDerWaalsContact OE2-CG 3.29Å; E32-P115 WeakPolarHBondContact OE2-CG 3.02Å
33V95.5Very high91.2Very high9 Ų938.2 Ų38.26%0.05522%0.218CC..EExtended strand (participates in β ladder)trans-100.5128.5-177.41800000110.4V35 C83 A86 A117 R119V33-V35 VanDerWaalsContact C-N 3.34Å; V33-V35 HydrophobicContact CG1-CG1 4.23Å; V33-V35 PolarHBondContact O-N 3.11Å; V33-C83 WeakPolarHBondContact CG1-O 3.18Å; V33-A86 HydrophobicContact CG1-CB 3.62Å; V33-A117 HydrophobicContact CB-CB 4.21Å; V33-A117 PolarHBondContact N-O 2.78Å; V33-R119 HydrophobicContact CG2-CB 3.63Å
34D94.4Very high91.8Very high32 Ų3238 Ų3817%0.17121%0.214CC..  trans-81.479176.7-167.75.9000112.1A36 A37 R58 P87 C89D34-A36 PolarHBondContact O-N 2.75Å; D34-A36 WeakPolarHBondContact OD1-CB 3.37Å; D34-A36 PolarHBondContact OD1-N 3.34Å; D34-A37 HydrophobicContact CB-CB 4.3Å; D34-A37 WeakPolarHBondContact O-CB 3.27Å; D34-A37 PolarHBondContact O-N 3.22Å; D34-A37 VanDerWaalsContact O-N 3.14Å; D34-R58 WeakPolarHBondContact OD1-CD 3.39Å; D34-P87 HydrophobicContact CB-CG 4.21Å; D34-P87 WeakPolarHBondContact CB-O 3.38Å; D34-P87 PolarHBondContact N-O 3.42Å; D34-C89 HydrophobicContact CB-CB 3.94Å
35V94.1Very high91.7Very high4 Ų437.4 Ų37.42%0.02421%0.212CC..G310 helixtrans-63.8-19.8177.5-61.90000113.3V33 A37 V38 R58 I61 V62 C83 A117V33-V35 VanDerWaalsContact C-N 3.34Å; V33-V35 HydrophobicContact CG1-CG1 4.23Å; V33-V35 PolarHBondContact O-N 3.11Å; V35-A37 VanDerWaalsContact C-N 3.29Å; V35-V38 PolarHBondContact O-N 3.46Å; V35-R58 HydrophobicContact CG2-CB 4.01Å; V35-R58 HydrophobicContact CG2-CG 4.39Å; V35-I61 HydrophobicContact CB-CG2 4.32Å; V35-I61 HydrophobicContact CG2-CB 4.04Å; V35-I61 HydrophobicContact CG2-CG2 3.91Å; V35-V62 HydrophobicContact CG1-CG2 4.17Å; V35-V62 HydrophobicContact CG2-CG2 3.97Å; V35-C83 HydrophobicContact CG1-CB 4.29Å; V35-A117 HydrophobicContact CG1-CB 3.82Å
36A92.4Very high90.9Very high27 Ų2745.8 Ų45.822%0.22324%0.242CC..G310 helixtrans-72.2-24.6176.600000112.6D34 V38 V53 F57 R58 I61D34-A36 PolarHBondContact O-N 2.75Å; D34-A36 WeakPolarHBondContact OD1-CB 3.37Å; D34-A36 PolarHBondContact OD1-N 3.34Å; A36-V38 PolarHBondContact O-N 3.21Å; A36-V53 HydrophobicContact CB-CG1 3.54Å; A36-V53 HydrophobicContact CB-CG2 4.46Å; A36-F57 HydrophobicContact CB-CD1 3.77Å; A36-F57 HydrophobicContact CB-CE1 3.53Å; A36-R58 HydrophobicContact CB-CG 4.25Å; A36-I61 HydrophobicContact CB-CD1 3.98Å
37A92.8Very high89.5Confident52 Ų5246.1 Ų46.143%0.4324%0.244SC..G310 helixtrans-76.9-6.5175.300000113.2D34 V35 P87D34-A37 HydrophobicContact CB-CB 4.3Å; D34-A37 WeakPolarHBondContact O-CB 3.27Å; D34-A37 PolarHBondContact O-N 3.22Å; D34-A37 VanDerWaalsContact O-N 3.14Å; V35-A37 VanDerWaalsContact C-N 3.29Å; A37-P87 HydrophobicContact CB-CG 3.82Å
38V93.7Very high87.7Confident8 Ų851.4 Ų51.45%0.04828%0.279CS..SBendtrans-86.1123.7-179.1-175.70000109.9V35 A36 L41 R82 A86V35-V38 PolarHBondContact O-N 3.46Å; A36-V38 PolarHBondContact O-N 3.21Å; V38-L41 HydrophobicContact CB-CD1 3.36Å; V38-L41 HydrophobicContact CG1-CD1 3.35Å; V38-L41 HydrophobicContact CG2-CD1 4.2Å; V38-L41 PolarHBondContact O-N 3.48Å; V38-R82 HydrophobicContact CG1-CB 3.74Å; V38-A86 HydrophobicContact CG2-CB 3.45Å; V38-A86 VanDerWaalsContact CG2-CB 3.45Å
39P90.8Very high85.8Confident90 Ų9054.5 Ų54.558%0.58429%0.29SS*.THydrogen-bonded Turntrans-59.3145.9-176.6-23.331.6000113.3L41 R82P39-L41 PolarHBondContact O-N 3.2Å; P39-R82 VanDerWaalsContact O-CZ 3.3Å; P39-R82 PolarHBondContact O-NH1 2.9Å; P39-R82 PolarHBondContact O-NH2 3.37Å
40G89.8Confident83.8Confident17 Ų1755.9 Ų55.918%0.17530%0.301CS..THydrogen-bonded Turntrans76.6-1.4177.600000115.1E42 K43 Y79G40-E42 VanDerWaalsContact CA-OE1 3.25Å; G40-E42 WeakPolarHBondContact CA-OE1 3.4Å; G40-E42 WeakPolarHBondContact CA-OE2 3.21Å; G40-E42 PolarHBondContact N-OE1 3.06Å; G40-E42 PolarHBondContact N-OE2 3.47Å; G40-K43 WeakPolarHBondContact O-CD 3.29Å; G40-K43 WeakPolarHBondContact O-CG 3.31Å; G40-Y79 PolarHBondContact O-OH 2.89Å; G40-Y79 VanDerWaalsContact O-OH 3.11Å
41L91Very high81.7Confident1 Ų162.5 Ų62.51%0.00534%0.341CS..  trans-88.8-11.2170.7-83.4132.6000112.6V38 P39 K43 F44 I61 L65 Y79V38-L41 HydrophobicContact CB-CD1 3.36Å; V38-L41 HydrophobicContact CG1-CD1 3.35Å; V38-L41 HydrophobicContact CG2-CD1 4.2Å; V38-L41 PolarHBondContact O-N 3.48Å; P39-L41 PolarHBondContact O-N 3.2Å; L41-K43 PolarHBondContact O-N 3.23Å; L41-K43 VanDerWaalsContact O-N 3.11Å; L41-F44 HydrophobicContact CB-CD2 4.18Å; L41-F44 HydrophobicContact CD2-CD2 3.6Å; L41-F44 HydrophobicContact CD2-CE2 3.71Å; L41-F44 HydrophobicContact CG-CD2 4.05Å; L41-F44 HydrophobicContact CG-CE2 4.12Å; L41-F44 WeakPolarHBondContact O-CB 3.21Å; L41-F44 WeakPolarHBondContact O-CD2 3.43Å; L41-F44 PolarHBondContact O-N 3.39Å; L41-I61 HydrophobicContact CB-CG2 3.93Å; L41-I61 HydrophobicContact CD2-CG2 3.39Å; L41-I61 HydrophobicContact CG-CG2 4.21Å; L41-L65 HydrophobicContact CD2-CD1 4.45Å; L41-L65 HydrophobicContact CD2-CD2 4.04Å; L41-Y79 HydrophobicContact CD1-CD1 3.73Å; L41-Y79 HydrophobicContact CD1-CE1 4.27Å; L41-Y79 HydrophobicContact CD2-CD1 4.22Å; L41-Y79 HydrophobicContact CD2-CG 4.47Å; L41-Y79 HydrophobicContact CG-CD1 3.73Å; L41-Y79 HydrophobicContact CG-CE1 3.97Å; L41-Y79 HydrophobicContact CG-CG 4.45Å
42E85.1Confident79.8Confident114 Ų11467 Ų6753%0.53337%0.369SS..G310 helixtrans-57.3-25.3171.466-76.8172.600112.7G40 F44 T45G40-E42 VanDerWaalsContact CA-OE1 3.25Å; G40-E42 WeakPolarHBondContact CA-OE1 3.4Å; G40-E42 WeakPolarHBondContact CA-OE2 3.21Å; G40-E42 PolarHBondContact N-OE1 3.06Å; G40-E42 PolarHBondContact N-OE2 3.47Å; E42-F44 PolarHBondContact O-N 3.37Å; E42-T45 VanDerWaalsContact O-CB 3.29Å; E42-T45 WeakPolarHBondContact O-CB 3.47Å; E42-T45 VanDerWaalsContact O-CG2 3.28Å; E42-T45 WeakPolarHBondContact O-CG2 3.29Å; E42-T45 PolarHBondContact O-N 3.25Å; E42-T45 VanDerWaalsContact O-N 3.08Å; E42-T45 PolarHBondContact O-OG1 3.24Å
43K87.6Confident78.2Confident100 Ų10070 Ų7044%0.43539%0.388SS..G310 helixtrans-66.6-18.7176.476.9-172.4-171.7-179.20114.2G40 L41 E75 Y79G40-K43 WeakPolarHBondContact O-CD 3.29Å; G40-K43 WeakPolarHBondContact O-CG 3.31Å; L41-K43 PolarHBondContact O-N 3.23Å; L41-K43 VanDerWaalsContact O-N 3.11Å; K43-E75 IonicContact NZ-OE1 2.72Å; K43-E75 PolarHBondContact NZ-OE1 3.02Å; K43-Y79 WeakPolarHBondContact CE-OH 3.27Å; K43-Y79 PolarHBondContact NZ-OH 3.46Å
44F87.4Confident77.4Confident21 Ų2171.7 Ų71.79%0.09240%0.4CS..G310 helixtrans-84.32.2175.9-63.8-67.6000112.3L41 E42 E64 L65 L68 Y79L41-F44 HydrophobicContact CB-CD2 4.18Å; L41-F44 HydrophobicContact CD2-CD2 3.6Å; L41-F44 HydrophobicContact CD2-CE2 3.71Å; L41-F44 HydrophobicContact CG-CD2 4.05Å; L41-F44 HydrophobicContact CG-CE2 4.12Å; L41-F44 WeakPolarHBondContact O-CB 3.21Å; L41-F44 WeakPolarHBondContact O-CD2 3.43Å; L41-F44 PolarHBondContact O-N 3.39Å; E42-F44 PolarHBondContact O-N 3.37Å; F44-E64 HydrophobicContact CB-CB 3.91Å; F44-E64 HydrophobicContact CD1-CB 3.82Å; F44-E64 HydrophobicContact CG-CB 4.21Å; F44-L65 HydrophobicContact CE2-CD1 4.23Å; F44-L65 HydrophobicContact CZ-CD1 4.14Å; F44-L68 HydrophobicContact CE1-CD1 4.34Å; F44-L68 HydrophobicContact CE1-CD2 3.87Å; F44-L68 HydrophobicContact CE1-CG 4.15Å; F44-L68 HydrophobicContact CZ-CD1 4.07Å; F44-L68 HydrophobicContact CZ-CD2 4.32Å; F44-L68 HydrophobicContact CZ-CG 4.39Å; F44-Y79 HydrophobicContact CE2-CD2 4.13Å; F44-Y79 AromaticContact CE2-CE2 3.92Å; F44-Y79 HydrophobicContact CE2-CE2 3.92Å; F44-Y79 HydrophobicContact CZ-CD2 4.2Å; F44-Y79 AromaticContact CZ-CE2 3.97Å; F44-Y79 HydrophobicContact CZ-CE2 3.97Å
45T79.5Confident76.7Confident37 Ų3772.5 Ų72.523%0.22740%0.403CS..  trans-92.7130.7179.374.40000108.9E42 F57 I61E42-T45 VanDerWaalsContact O-CB 3.29Å; E42-T45 WeakPolarHBondContact O-CB 3.47Å; E42-T45 VanDerWaalsContact O-CG2 3.28Å; E42-T45 WeakPolarHBondContact O-CG2 3.29Å; E42-T45 PolarHBondContact O-N 3.25Å; E42-T45 VanDerWaalsContact O-N 3.08Å; E42-T45 PolarHBondContact O-OG1 3.24Å; T45-F57 HydrophobicContact CG2-CD2 4.2Å; T45-F57 HydrophobicContact CG2-CE1 4.22Å; T45-F57 HydrophobicContact CG2-CE2 3.23Å; T45-F57 HydrophobicContact CG2-CZ 3.26Å; T45-I61 HydrophobicContact CG2-CD1 4.09Å; T45-I61 HydrophobicContact CG2-CG1 3.95Å
46R68.3Low76.2Confident210 Ų21079.3 Ų79.379%0.79243%0.434SS*.SBendtrans-85.1-12.6-179-160.1177.2-69.6176.81.8112.4E64R46-E64 IonicContact NH2-OE1 3.17Å; R46-E64 PolarHBondContact NH2-OE1 3.42Å; R46-E64 VanDerWaalsContact NH2-OE1 3.17Å
47S61.4Low75.9Confident51 Ų5179.5 Ų79.536%0.35743%0.43SS..  trans-147.8133.3-179.7-175.70000112.9E49S47-E49 VanDerWaalsContact C-N 3.29Å; S47-E49 PolarHBondContact O-N 3.03Å; S47-E49 PolarHBondContact OG-N 3.24Å
48P54.7Low75.8Confident127 Ų12778.5 Ų78.583%0.82542%0.415SS*.THydrogen-bonded Turntrans-79.50.8175.231.3-33000114.6L50P48-L50 PolarHBondContact O-N 3.38Å
49E56.2Low75.7Confident162 Ų16278.4 Ų78.476%0.75741%0.414SS*.THydrogen-bonded Turntrans-83.4-6-171.1-67.7-174.3161.300115.2S47 T51S47-E49 VanDerWaalsContact C-N 3.29Å; S47-E49 PolarHBondContact O-N 3.03Å; S47-E49 PolarHBondContact OG-N 3.24Å; E49-T51 PolarHBondContact O-N 3.3Å
50L54.4Low75.7Confident91 Ų9176.8 Ų76.848%0.47640%0.399SS..  trans-8284.9177.4-74.8166.7000110.4P48 V52 F57P48-L50 PolarHBondContact O-N 3.38Å; L50-V52 PolarHBondContact O-N 3.05Å; L50-F57 HydrophobicContact CB-CD2 4.3Å; L50-F57 HydrophobicContact CD1-CB 4.26Å; L50-F57 HydrophobicContact CD1-CD2 3.83Å
51T53.3Low75.9Confident141 Ų14176 Ų7687%0.86539%0.391SS*.  trans-69.7-5177.545.90000114.1E49E49-T51 PolarHBondContact O-N 3.3Å
52V57.9Low76Confident108 Ų10876.9 Ų76.966%0.65540%0.396SS*.SBendtrans-126.1127.7170.7-177.90000107.8L50 S54L50-V52 PolarHBondContact O-N 3.05Å; V52-S54 PolarHBondContact O-N 2.63Å
53V62.5Low76.4Confident69 Ų6976.4 Ų76.442%0.41839%0.39SS..  trans-66.484.1174.2-176.30000108.5A36 F57 R58A36-V53 HydrophobicContact CB-CG1 3.54Å; A36-V53 HydrophobicContact CB-CG2 4.46Å; V53-F57 HydrophobicContact CG1-CD1 3.98Å; V53-R58 HydrophobicContact CG1-CG 3.92Å; V53-R58 PolarHBondContact O-NH1 3.08Å
54S77.5Confident76.7Confident44 Ų4474.3 Ų74.331%0.30838%0.381SS..  trans-72157.7174.8-177.80000110.3V52 E56 F57 R58V52-S54 PolarHBondContact O-N 2.63Å; S54-E56 PolarHBondContact O-N 3.48Å; S54-F57 VanDerWaalsContact O-CB 3.27Å; S54-F57 WeakPolarHBondContact O-CB 3.41Å; S54-F57 PolarHBondContact O-N 3.2Å; S54-R58 PolarHBondContact O-N 3.49Å
55E81.4Confident77.1Confident48 Ų4873.6 Ų73.622%0.22438%0.378CS..Hα-helixtrans-54.8-40.6170.2175.3160.7-159.900112.5F57 R58 N59 K105E55-F57 PolarHBondContact O-N 2.97Å; E55-R58 PolarHBondContact O-N 3.46Å; E55-N59 WeakPolarHBondContact O-CB 3.44Å; E55-N59 PolarHBondContact O-N 3.45Å; E55-K105 IonicContact OE1-NZ 2.71Å; E55-K105 PolarHBondContact OE1-NZ 2.89Å; E55-K105 IonicContact OE2-NZ 2.67Å; E55-K105 PolarHBondContact OE2-NZ 2.79Å
56E83.1Confident77.8Confident147 Ų14775.7 Ų75.769%0.68739%0.391SS*.Hα-helixtrans-57.8-36.2175.3-66.7-177.7157.400112.3S54 N59 Q60S54-E56 PolarHBondContact O-N 3.48Å; E56-N59 PolarHBondContact O-N 3.12Å; E56-Q60 WeakPolarHBondContact O-CB 3.48Å; E56-Q60 PolarHBondContact O-N 3.45Å
57F86.6Confident79Confident32 Ų3270.2 Ų70.214%0.1438%0.381CS..Hα-helixtrans-68-46.3179.2-178.3-101.2000111.4A36 T45 L50 V53 S54 E55 N59 Q60 I61A36-F57 HydrophobicContact CB-CD1 3.77Å; A36-F57 HydrophobicContact CB-CE1 3.53Å; T45-F57 HydrophobicContact CG2-CD2 4.2Å; T45-F57 HydrophobicContact CG2-CE1 4.22Å; T45-F57 HydrophobicContact CG2-CE2 3.23Å; T45-F57 HydrophobicContact CG2-CZ 3.26Å; L50-F57 HydrophobicContact CB-CD2 4.3Å; L50-F57 HydrophobicContact CD1-CB 4.26Å; L50-F57 HydrophobicContact CD1-CD2 3.83Å; V53-F57 HydrophobicContact CG1-CD1 3.98Å; S54-F57 VanDerWaalsContact O-CB 3.27Å; S54-F57 WeakPolarHBondContact O-CB 3.41Å; S54-F57 PolarHBondContact O-N 3.2Å; E55-F57 PolarHBondContact O-N 2.97Å; F57-N59 VanDerWaalsContact C-N 3.33Å; F57-N59 PolarHBondContact O-N 3.22Å; F57-Q60 PolarHBondContact O-N 2.87Å; F57-I61 HydrophobicContact CD1-CD1 3.95Å; F57-I61 HydrophobicContact CE1-CD1 3.61Å; F57-I61 HydrophobicContact CZ-CD1 4.13Å; F57-I61 WeakPolarHBondContact O-CG1 3.44Å; F57-I61 PolarHBondContact O-N 2.72Å; F57-I61 VanDerWaalsContact O-N 3.11Å
58R90.6Very high80.6Confident30 Ų3068.7 Ų68.711%0.11337%0.369CS..Hα-helixtrans-61.8-44.7175.2-66.1-171.7-64.8-83.31.5110.7E32 D34 V35 A36 V53 S54 E55 Q60 I61 V62E32-R58 IonicContact OE1-CZ 3.16Å; E32-R58 IonicContact OE1-NE 2.74Å; E32-R58 PolarHBondContact OE1-NE 3.28Å; E32-R58 IonicContact OE1-NH2 2.75Å; E32-R58 PolarHBondContact OE1-NH2 3.4Å; E32-R58 IonicContact OE2-NH2 3.75Å; D34-R58 WeakPolarHBondContact OD1-CD 3.39Å; V35-R58 HydrophobicContact CG2-CB 4.01Å; V35-R58 HydrophobicContact CG2-CG 4.39Å; A36-R58 HydrophobicContact CB-CG 4.25Å; V53-R58 HydrophobicContact CG1-CG 3.92Å; V53-R58 PolarHBondContact O-NH1 3.08Å; S54-R58 PolarHBondContact O-N 3.49Å; E55-R58 PolarHBondContact O-N 3.46Å; R58-Q60 VanDerWaalsContact C-N 3.31Å; R58-Q60 PolarHBondContact O-N 2.71Å; R58-I61 PolarHBondContact O-N 2.96Å; R58-V62 WeakPolarHBondContact O-CG2 3.29Å; R58-V62 PolarHBondContact O-N 3.35Å; R58-V62 VanDerWaalsContact O-N 3.12Å
59N91.4Very high82.5Confident6 Ų666.1 Ų66.13%0.03235%0.352CS..Hα-helixtrans-62.7-36178.3-81-2000112.6E55 E56 F57 R63 T112 F114 H116E55-N59 WeakPolarHBondContact O-CB 3.44Å; E55-N59 PolarHBondContact O-N 3.45Å; E56-N59 PolarHBondContact O-N 3.12Å; F57-N59 VanDerWaalsContact C-N 3.33Å; F57-N59 PolarHBondContact O-N 3.22Å; N59-R63 VanDerWaalsContact O-CG 3.31Å; N59-R63 WeakPolarHBondContact O-CG 3.47Å; N59-R63 PolarHBondContact O-N 2.89Å; N59-T112 PolarHBondContact ND2-O 3.03Å; N59-F114 PolarHBondContact ND2-O 3.32Å; N59-H116 VanDerWaalsContact CB-CE1 3.5Å; N59-H116 WeakPolarHBondContact CB-CE1 3.28Å; N59-H116 WeakPolarHBondContact CB-ND1 3.47Å; N59-H116 PolarHBondContact O-ND1 2.99Å; N59-H116 WeakPolarHBondContact OD1-CB 3.45Å; N59-H116 PolarHBondContact OD1-N 3.3Å
60Q90.6Very high84.3Confident56 Ų5662.6 Ų62.626%0.26235%0.351SS..Hα-helixtrans-67.4-43.5175.1-175.66033.600112.4E56 F57 R58 V62 R63 E64E56-Q60 WeakPolarHBondContact O-CB 3.48Å; E56-Q60 PolarHBondContact O-N 3.45Å; F57-Q60 PolarHBondContact O-N 2.87Å; R58-Q60 VanDerWaalsContact C-N 3.31Å; R58-Q60 PolarHBondContact O-N 2.71Å; Q60-V62 VanDerWaalsContact C-N 3.31Å; Q60-V62 PolarHBondContact O-N 2.67Å; Q60-R63 PolarHBondContact O-N 2.8Å; Q60-E64 VanDerWaalsContact NE2-CG 3.35Å; Q60-E64 PolarHBondContact NE2-OE1 3.25Å; Q60-E64 PolarHBondContact O-N 2.75Å
61I93.4Very high86.2Confident1 Ų164.6 Ų64.61%0.00536%0.362CS..Hα-helixtrans-57.2-47.2175.7-70.2172.1000110.2V35 A36 L41 T45 F57 R58 R63 E64 L65V35-I61 HydrophobicContact CB-CG2 4.32Å; V35-I61 HydrophobicContact CG2-CB 4.04Å; V35-I61 HydrophobicContact CG2-CG2 3.91Å; A36-I61 HydrophobicContact CB-CD1 3.98Å; L41-I61 HydrophobicContact CB-CG2 3.93Å; L41-I61 HydrophobicContact CD2-CG2 3.39Å; L41-I61 HydrophobicContact CG-CG2 4.21Å; T45-I61 HydrophobicContact CG2-CD1 4.09Å; T45-I61 HydrophobicContact CG2-CG1 3.95Å; F57-I61 HydrophobicContact CD1-CD1 3.95Å; F57-I61 HydrophobicContact CE1-CD1 3.61Å; F57-I61 HydrophobicContact CZ-CD1 4.13Å; F57-I61 WeakPolarHBondContact O-CG1 3.44Å; F57-I61 PolarHBondContact O-N 2.72Å; F57-I61 VanDerWaalsContact O-N 3.11Å; R58-I61 PolarHBondContact O-N 2.96Å; I61-R63 PolarHBondContact O-N 2.94Å; I61-E64 PolarHBondContact O-N 3.11Å; I61-L65 VanDerWaalsContact O-CB 3.29Å; I61-L65 WeakPolarHBondContact O-CB 3.1Å; I61-L65 PolarHBondContact O-N 2.97Å
62V94.3Very high88.2Confident19 Ų1962.5 Ų62.512%0.11534%0.338CS..Hα-helixtrans-61.4-45.6178.4-179.90000111V35 R58 Q60 E64 L65 V66 H116 A117V35-V62 HydrophobicContact CG1-CG2 4.17Å; V35-V62 HydrophobicContact CG2-CG2 3.97Å; R58-V62 WeakPolarHBondContact O-CG2 3.29Å; R58-V62 PolarHBondContact O-N 3.35Å; R58-V62 VanDerWaalsContact O-N 3.12Å; Q60-V62 VanDerWaalsContact C-N 3.31Å; Q60-V62 PolarHBondContact O-N 2.67Å; V62-E64 PolarHBondContact O-N 3.49Å; V62-L65 PolarHBondContact O-N 3.01Å; V62-V66 HydrophobicContact CG1-CG1 4.21Å; V62-V66 WeakPolarHBondContact O-CG1 3.41Å; V62-V66 WeakPolarHBondContact O-CG2 3.48Å; V62-V66 PolarHBondContact O-N 3.24Å; V62-H116 HydrophobicContact CB-CB 3.89Å; V62-H116 HydrophobicContact CG1-CB 3.77Å; V62-H116 HydrophobicContact CG2-CB 4.17Å; V62-A117 HydrophobicContact CG2-CB 3.79Å
63R92.9Very high90Very high105 Ų10563.4 Ų63.440%0.39633%0.33SS..Hα-helixtrans-56.4-50.5178.6-78174-179.31617.1111.9N59 Q60 I61 L65 V66 T67 H116N59-R63 VanDerWaalsContact O-CG 3.31Å; N59-R63 WeakPolarHBondContact O-CG 3.47Å; N59-R63 PolarHBondContact O-N 2.89Å; Q60-R63 PolarHBondContact O-N 2.8Å; I61-R63 PolarHBondContact O-N 2.94Å; R63-L65 VanDerWaalsContact C-N 3.34Å; R63-L65 PolarHBondContact O-N 3.49Å; R63-V66 WeakPolarHBondContact O-CG2 3.47Å; R63-V66 PolarHBondContact O-N 3.26Å; R63-T67 VanDerWaalsContact O-CG2 3.27Å; R63-T67 WeakPolarHBondContact O-CG2 3.44Å; R63-T67 PolarHBondContact O-N 3.12Å; R63-T67 PolarHBondContact O-OG1 3.25Å; R63-T67 VanDerWaalsContact O-OG1 3.12Å; R63-H116 PolarHBondContact NE-CE1 3.5Å; R63-H116 VanDerWaalsContact NE-CE1 3.25Å; R63-H116 PolarHBondContact NH2-CE1 3.11Å
64E94.4Very high91.6Very high56 Ų5668.5 Ų68.526%0.26234%0.341SS..Hα-helixtrans-65.6-40-179.9-66.5-7216600111.1F44 R46 Q60 I61 V62 V66 T67 L68F44-E64 HydrophobicContact CB-CB 3.91Å; F44-E64 HydrophobicContact CD1-CB 3.82Å; F44-E64 HydrophobicContact CG-CB 4.21Å; R46-E64 IonicContact NH2-OE1 3.17Å; R46-E64 PolarHBondContact NH2-OE1 3.42Å; R46-E64 VanDerWaalsContact NH2-OE1 3.17Å; Q60-E64 VanDerWaalsContact NE2-CG 3.35Å; Q60-E64 PolarHBondContact NE2-OE1 3.25Å; Q60-E64 PolarHBondContact O-N 2.75Å; I61-E64 PolarHBondContact O-N 3.11Å; V62-E64 PolarHBondContact O-N 3.49Å; E64-V66 PolarHBondContact O-N 3.11Å; E64-T67 WeakPolarHBondContact CA-OG1 3.47Å; E64-T67 PolarHBondContact O-N 3.33Å; E64-T67 PolarHBondContact O-OG1 2.85Å; E64-L68 PolarHBondContact O-N 2.93Å
65L94.4Very high92.5Very high6 Ų668.8 Ų68.83%0.03134%0.338CS..Hα-helixtrans-60.4-45.9177.3178.764.1000112.5L41 F44 I61 V62 R63 T67 L68 Q76 Y79 Y80L41-L65 HydrophobicContact CD2-CD1 4.45Å; L41-L65 HydrophobicContact CD2-CD2 4.04Å; F44-L65 HydrophobicContact CE2-CD1 4.23Å; F44-L65 HydrophobicContact CZ-CD1 4.14Å; I61-L65 VanDerWaalsContact O-CB 3.29Å; I61-L65 WeakPolarHBondContact O-CB 3.1Å; I61-L65 PolarHBondContact O-N 2.97Å; V62-L65 PolarHBondContact O-N 3.01Å; R63-L65 VanDerWaalsContact C-N 3.34Å; R63-L65 PolarHBondContact O-N 3.49Å; L65-T67 PolarHBondContact O-N 3.22Å; L65-L68 HydrophobicContact CD1-CD1 3.86Å; L65-L68 WeakPolarHBondContact O-CB 3.39Å; L65-L68 WeakPolarHBondContact O-CG 3.45Å; L65-L68 PolarHBondContact O-N 3.33Å; L65-Q76 HydrophobicContact CD1-CG 4.35Å; L65-Q76 PolarHBondContact O-NE2 2.82Å; L65-Y79 HydrophobicContact CD1-CD2 3.89Å; L65-Y79 HydrophobicContact CD1-CG 3.96Å; L65-Y80 HydrophobicContact CD2-CD1 3.71Å; L65-Y80 HydrophobicContact CD2-CE1 3.59Å; L65-Y80 HydrophobicContact CG-CD1 4.3Å; L65-Y80 HydrophobicContact CG-CE1 3.78Å
66V93.8Very high93.1Very high80 Ų8068.2 Ų68.249%0.48534%0.335SS..Hα-helixtrans-70.7-23.2179.9-59.70000112.4V62 R63 E64 Q76V62-V66 HydrophobicContact CG1-CG1 4.21Å; V62-V66 WeakPolarHBondContact O-CG1 3.41Å; V62-V66 WeakPolarHBondContact O-CG2 3.48Å; V62-V66 PolarHBondContact O-N 3.24Å; R63-V66 WeakPolarHBondContact O-CG2 3.47Å; R63-V66 PolarHBondContact O-N 3.26Å; E64-V66 PolarHBondContact O-N 3.11Å; V66-Q76 PolarHBondContact O-NE2 2.87Å
67T94.7Very high93.7Very high96 Ų9666 Ų6659%0.58933%0.328SS*.THydrogen-bonded Turntrans-88.44.517761.40000114.5R63 E64 L65R63-T67 VanDerWaalsContact O-CG2 3.27Å; R63-T67 WeakPolarHBondContact O-CG2 3.44Å; R63-T67 PolarHBondContact O-N 3.12Å; R63-T67 PolarHBondContact O-OG1 3.25Å; R63-T67 VanDerWaalsContact O-OG1 3.12Å; E64-T67 WeakPolarHBondContact CA-OG1 3.47Å; E64-T67 PolarHBondContact O-N 3.33Å; E64-T67 PolarHBondContact O-OG1 2.85Å; L65-T67 PolarHBondContact O-N 3.22Å
68L94.4Very high94.2Very high19 Ų1968.4 Ų68.410%0.09934%0.342CS..SBendtrans-53.3137.7175.3-83.8178.4000111.2F44 E64 L65 Q76F44-L68 HydrophobicContact CE1-CD1 4.34Å; F44-L68 HydrophobicContact CE1-CD2 3.87Å; F44-L68 HydrophobicContact CE1-CG 4.15Å; F44-L68 HydrophobicContact CZ-CD1 4.07Å; F44-L68 HydrophobicContact CZ-CD2 4.32Å; F44-L68 HydrophobicContact CZ-CG 4.39Å; E64-L68 PolarHBondContact O-N 2.93Å; L65-L68 HydrophobicContact CD1-CD1 3.86Å; L65-L68 WeakPolarHBondContact O-CB 3.39Å; L65-L68 WeakPolarHBondContact O-CG 3.45Å; L65-L68 PolarHBondContact O-N 3.33Å; L68-Q76 HydrophobicContact CD1-CB 3.91Å; L68-Q76 HydrophobicContact CD1-CG 4.21Å
69P94.9Very high94.4Very high73 Ų7367.8 Ų67.847%0.47434%0.34SS..  trans-54.6141176.2-29.436.4000112.7N71 R72P69-N71 WeakPolarHBondContact CB-OD1 3.43Å; P69-N71 PolarHBondContact O-N 2.72Å; P69-R72 WeakPolarHBondContact O-CA 3.13Å; P69-R72 WeakPolarHBondContact O-CB 3.38Å; P69-R72 PolarHBondContact O-N 2.64Å
70A93.9Very high94.6Very high88 Ų8871.8 Ų71.873%0.72736%0.355SS*.G310 helixtrans-58.4-26.4-17500000114.3R72 W73A70-R72 PolarHBondContact O-N 2.83Å; A70-W73 PolarHBondContact O-N 2.74Å
71N95.3Very high94.9Very high133 Ų13371.8 Ų71.871%0.71136%0.364SS*.G310 helixtrans-68.4-13.4174.466.5-17.7000113.5P69P69-N71 WeakPolarHBondContact CB-OD1 3.43Å; P69-N71 PolarHBondContact O-N 2.72Å
72R95.1Very high95Very high97 Ų9775.6 Ų75.637%0.36638%0.379SS..G310 helixtrans-100.520.5175.8-61.3177.172.3176.14.7113P69 A70 R74 E75 Q76P69-R72 WeakPolarHBondContact O-CA 3.13Å; P69-R72 WeakPolarHBondContact O-CB 3.38Å; P69-R72 PolarHBondContact O-N 2.64Å; A70-R72 PolarHBondContact O-N 2.83Å; R72-R74 PolarHBondContact O-N 2.7Å; R72-R74 VanDerWaalsContact O-N 3.11Å; R72-E75 IonicContact CZ-OE1 2.64Å; R72-E75 IonicContact CZ-OE2 3.87Å; R72-E75 IonicContact NE-OE2 2.76Å; R72-E75 PolarHBondContact NE-OE2 3.1Å; R72-E75 IonicContact NH2-OE1 3.1Å; R72-E75 PolarHBondContact NH2-OE1 3.06Å; R72-E75 IonicContact NH2-OE2 2.75Å; R72-E75 PolarHBondContact NH2-OE2 3.07Å; R72-E75 WeakPolarHBondContact O-CB 3.21Å; R72-E75 PolarHBondContact O-N 2.74Å; R72-Q76 PolarHBondContact O-N 2.59Å
73W94.8Very high95.1Very high127 Ų12775.4 Ų75.448%0.48138%0.378SS..Hα-helixtrans-52.8-35.2-178.569.9-95000114.3A70 Q76 L77A70-W73 PolarHBondContact O-N 2.74Å; W73-Q76 PolarHBondContact O-N 3.46Å; W73-L77 HydrophobicContact CZ3-CD2 4.32Å; W73-L77 VanDerWaalsContact O-CB 3.32Å; W73-L77 WeakPolarHBondContact O-CB 3.48Å; W73-L77 PolarHBondContact O-N 2.97Å
74R96.8Very high95.2Very high175 Ų17573.2 Ų73.266%0.6638%0.379SS*.Hα-helixtrans-64.1-43.2178.3-69.8-171.8-176.992.4-1.2111.9R72 L77 D78R72-R74 PolarHBondContact O-N 2.7Å; R72-R74 VanDerWaalsContact O-N 3.11Å; R74-L77 PolarHBondContact O-N 2.86Å; R74-D78 PolarHBondContact O-N 3.36Å
75E95.1Very high95.2Very high51 Ų5177.9 Ų77.924%0.23840%0.401CS..Hα-helixtrans-68.7-42.1177.3177.7-178.3-179.100110.7K43 R72 L77 D78 Y79K43-E75 IonicContact NZ-OE1 2.72Å; K43-E75 PolarHBondContact NZ-OE1 3.02Å; R72-E75 IonicContact CZ-OE1 2.64Å; R72-E75 IonicContact CZ-OE2 3.87Å; R72-E75 IonicContact NE-OE2 2.76Å; R72-E75 PolarHBondContact NE-OE2 3.1Å; R72-E75 IonicContact NH2-OE1 3.1Å; R72-E75 PolarHBondContact NH2-OE1 3.06Å; R72-E75 IonicContact NH2-OE2 2.75Å; R72-E75 PolarHBondContact NH2-OE2 3.07Å; R72-E75 WeakPolarHBondContact O-CB 3.21Å; R72-E75 PolarHBondContact O-N 2.74Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 2.93Å; E75-D78 PolarHBondContact O-N 3.25Å; E75-Y79 HydrophobicContact CG-CD2 3.83Å; E75-Y79 HydrophobicContact CG-CE2 3.49Å; E75-Y79 VanDerWaalsContact CG-CE2 3.49Å; E75-Y79 WeakPolarHBondContact O-CD2 3.2Å; E75-Y79 PolarHBondContact O-N 2.86Å
76Q95.1Very high95.2Very high36 Ų3677.8 Ų77.817%0.16840%0.401CS..Hα-helixtrans-59.8-43.2175.2-169.3-179.353.300111.5L65 V66 L68 R72 W73 Y79 Y80L65-Q76 HydrophobicContact CD1-CG 4.35Å; L65-Q76 PolarHBondContact O-NE2 2.82Å; V66-Q76 PolarHBondContact O-NE2 2.87Å; L68-Q76 HydrophobicContact CD1-CB 3.91Å; L68-Q76 HydrophobicContact CD1-CG 4.21Å; R72-Q76 PolarHBondContact O-N 2.59Å; W73-Q76 PolarHBondContact O-N 3.46Å; Q76-Y79 PolarHBondContact O-N 2.84Å; Q76-Y80 HydrophobicContact CG-CD2 4.33Å; Q76-Y80 HydrophobicContact CG-CE1 4.15Å; Q76-Y80 HydrophobicContact CG-CE2 3.65Å; Q76-Y80 PolarHBondContact NE2-OH 2.79Å; Q76-Y80 PolarHBondContact O-N 2.98Å
77L95.3Very high95.3Very high101 Ų10177.5 Ų77.553%0.52940%0.4SS..Hα-helixtrans-65.1-41.3176.5-176.863.2000112.5W73 R74 E75 Y79 Y80 A81W73-L77 HydrophobicContact CZ3-CD2 4.32Å; W73-L77 VanDerWaalsContact O-CB 3.32Å; W73-L77 WeakPolarHBondContact O-CB 3.48Å; W73-L77 PolarHBondContact O-N 2.97Å; R74-L77 PolarHBondContact O-N 2.86Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 2.93Å; L77-Y79 VanDerWaalsContact C-N 3.32Å; L77-Y79 PolarHBondContact O-N 3.1Å; L77-Y80 PolarHBondContact O-N 2.89Å; L77-A81 PolarHBondContact O-N 3.3Å
78D96.6Very high95.4Very high81 Ų8174.6 Ų74.643%0.43339%0.39SS..Hα-helixtrans-57.5-46.9173.7178.573.8000111R74 E75 Y80 A81 R82R74-D78 PolarHBondContact O-N 3.36Å; E75-D78 PolarHBondContact O-N 3.25Å; D78-Y80 PolarHBondContact O-N 2.99Å; D78-A81 PolarHBondContact O-N 3.14Å; D78-R82 WeakPolarHBondContact O-CD 3.49Å; D78-R82 VanDerWaalsContact O-CG 3.23Å; D78-R82 WeakPolarHBondContact O-CG 3.26Å; D78-R82 PolarHBondContact O-N 3.4Å; D78-R82 VanDerWaalsContact OD2-CD 3.23Å; D78-R82 WeakPolarHBondContact OD2-CD 3.48Å; D78-R82 IonicContact OD2-NH1 3.71Å; D78-R82 PolarHBondContact OD2-NH1 3.48Å
79Y95.9Very high95.3Very high17 Ų1776.4 Ų76.47%0.06740%0.403CS..Hα-helixtrans-63-41.9176-76.7-56.1000112.8G40 L41 K43 F44 L65 E75 Q76 L77 A81 R82 C83G40-Y79 PolarHBondContact O-OH 2.89Å; G40-Y79 VanDerWaalsContact O-OH 3.11Å; L41-Y79 HydrophobicContact CD1-CD1 3.73Å; L41-Y79 HydrophobicContact CD1-CE1 4.27Å; L41-Y79 HydrophobicContact CD2-CD1 4.22Å; L41-Y79 HydrophobicContact CD2-CG 4.47Å; L41-Y79 HydrophobicContact CG-CD1 3.73Å; L41-Y79 HydrophobicContact CG-CE1 3.97Å; L41-Y79 HydrophobicContact CG-CG 4.45Å; K43-Y79 WeakPolarHBondContact CE-OH 3.27Å; K43-Y79 PolarHBondContact NZ-OH 3.46Å; F44-Y79 HydrophobicContact CE2-CD2 4.13Å; F44-Y79 AromaticContact CE2-CE2 3.92Å; F44-Y79 HydrophobicContact CE2-CE2 3.92Å; F44-Y79 HydrophobicContact CZ-CD2 4.2Å; F44-Y79 AromaticContact CZ-CE2 3.97Å; F44-Y79 HydrophobicContact CZ-CE2 3.97Å; L65-Y79 HydrophobicContact CD1-CD2 3.89Å; L65-Y79 HydrophobicContact CD1-CG 3.96Å; E75-Y79 HydrophobicContact CG-CD2 3.83Å; E75-Y79 HydrophobicContact CG-CE2 3.49Å; E75-Y79 VanDerWaalsContact CG-CE2 3.49Å; E75-Y79 WeakPolarHBondContact O-CD2 3.2Å; E75-Y79 PolarHBondContact O-N 2.86Å; Q76-Y79 PolarHBondContact O-N 2.84Å; L77-Y79 VanDerWaalsContact C-N 3.32Å; L77-Y79 PolarHBondContact O-N 3.1Å; Y79-A81 PolarHBondContact O-N 3.21Å; Y79-R82 PolarHBondContact O-N 3.37Å; Y79-C83 WeakPolarHBondContact O-CB 3.4Å; Y79-C83 PolarHBondContact O-N 3.26Å; Y79-C83 PolarHBondContact O-SG 2.72Å
80Y95.5Very high95.3Very high91 Ų9174.4 Ų74.436%0.35740%0.396SS..Hα-helixtrans-60.3-43.7174.9-67.2-24.9000112.6L65 Q76 L77 D78 R82 C83 S84L65-Y80 HydrophobicContact CD2-CD1 3.71Å; L65-Y80 HydrophobicContact CD2-CE1 3.59Å; L65-Y80 HydrophobicContact CG-CD1 4.3Å; L65-Y80 HydrophobicContact CG-CE1 3.78Å; Q76-Y80 HydrophobicContact CG-CD2 4.33Å; Q76-Y80 HydrophobicContact CG-CE1 4.15Å; Q76-Y80 HydrophobicContact CG-CE2 3.65Å; Q76-Y80 PolarHBondContact NE2-OH 2.79Å; Q76-Y80 PolarHBondContact O-N 2.98Å; L77-Y80 PolarHBondContact O-N 2.89Å; D78-Y80 PolarHBondContact O-N 2.99Å; Y80-R82 VanDerWaalsContact C-N 3.28Å; Y80-R82 PolarHBondContact O-N 3.24Å; Y80-C83 PolarHBondContact O-N 2.95Å; Y80-S84 PolarHBondContact O-N 3.29Å
81A96Very high95.4Very high55 Ų5577.3 Ų77.346%0.45539%0.394SS..Hα-helixtrans-59.8-42176.400000111.2L77 D78 Y79 S84L77-A81 PolarHBondContact O-N 3.3Å; D78-A81 PolarHBondContact O-N 3.14Å; Y79-A81 PolarHBondContact O-N 3.21Å; A81-S84 WeakPolarHBondContact O-CB 3.25Å; A81-S84 PolarHBondContact O-N 3.28Å; A81-S84 PolarHBondContact O-OG 3.33Å
82R96.3Very high95.5Very high81 Ų8171.5 Ų71.531%0.30636%0.363SS..Hα-helixtrans-72.2-39.3179.7-65.1167.165.7-160.7-1.2112.5V38 P39 D78 Y79 Y80 S84 Q85 A86V38-R82 HydrophobicContact CG1-CB 3.74Å; P39-R82 VanDerWaalsContact O-CZ 3.3Å; P39-R82 PolarHBondContact O-NH1 2.9Å; P39-R82 PolarHBondContact O-NH2 3.37Å; D78-R82 WeakPolarHBondContact O-CD 3.49Å; D78-R82 VanDerWaalsContact O-CG 3.23Å; D78-R82 WeakPolarHBondContact O-CG 3.26Å; D78-R82 PolarHBondContact O-N 3.4Å; D78-R82 VanDerWaalsContact OD2-CD 3.23Å; D78-R82 WeakPolarHBondContact OD2-CD 3.48Å; D78-R82 IonicContact OD2-NH1 3.71Å; D78-R82 PolarHBondContact OD2-NH1 3.48Å; Y79-R82 PolarHBondContact O-N 3.37Å; Y80-R82 VanDerWaalsContact C-N 3.28Å; Y80-R82 PolarHBondContact O-N 3.24Å; R82-S84 VanDerWaalsContact C-N 3.26Å; R82-S84 PolarHBondContact O-N 3.11Å; R82-Q85 PolarHBondContact O-N 2.6Å; R82-Q85 VanDerWaalsContact O-N 3.11Å; R82-A86 PolarHBondContact O-N 3.44Å
83C95.9Very high95.6Very high15 Ų1570.7 Ų70.710%0.10137%0.366CS..Hα-helixtrans-60.5-35.3171.7-70.50000112V33 V35 Y79 Y80 Q85 A86V33-C83 WeakPolarHBondContact CG1-O 3.18Å; V35-C83 HydrophobicContact CG1-CB 4.29Å; Y79-C83 WeakPolarHBondContact O-CB 3.4Å; Y79-C83 PolarHBondContact O-N 3.26Å; Y79-C83 PolarHBondContact O-SG 2.72Å; Y80-C83 PolarHBondContact O-N 2.95Å; C83-Q85 PolarHBondContact O-N 3.47Å; C83-Q85 VanDerWaalsContact O-N 3.15Å; C83-A86 VanDerWaalsContact O-CB 3.24Å; C83-A86 WeakPolarHBondContact O-CB 3.32Å; C83-A86 PolarHBondContact O-N 3.48Å
84S94.4Very high95.7Very high59 Ų5967.4 Ų67.441%0.41336%0.355SS..Hα-helixtrans-60-26.6176.282.40000113.4Y80 A81 R82 R119Y80-S84 PolarHBondContact O-N 3.29Å; A81-S84 WeakPolarHBondContact O-CB 3.25Å; A81-S84 PolarHBondContact O-N 3.28Å; A81-S84 PolarHBondContact O-OG 3.33Å; R82-S84 VanDerWaalsContact C-N 3.26Å; R82-S84 PolarHBondContact O-N 3.11Å; S84-R119 PolarHBondContact O-NH1 2.94Å
85Q94.9Very high95.5Very high154 Ų15463.1 Ų63.172%0.7235%0.345SS*.THydrogen-bonded Turntrans-96.7-1.1179.9-57.1-54.6-49.600113.2R82 C83R82-Q85 PolarHBondContact O-N 2.6Å; R82-Q85 VanDerWaalsContact O-N 3.11Å; C83-Q85 PolarHBondContact O-N 3.47Å; C83-Q85 VanDerWaalsContact O-N 3.15Å
86A95.6Very high95.3Very high4 Ų464 Ų643%0.03335%0.354CS..SBendtrans-66.4154.1-179.400000111.3V33 V38 R82 C83 R119V33-A86 HydrophobicContact CG1-CB 3.62Å; V38-A86 HydrophobicContact CG2-CB 3.45Å; V38-A86 VanDerWaalsContact CG2-CB 3.45Å; R82-A86 PolarHBondContact O-N 3.44Å; C83-A86 VanDerWaalsContact O-CB 3.24Å; C83-A86 WeakPolarHBondContact O-CB 3.32Å; C83-A86 PolarHBondContact O-N 3.48Å; A86-R119 PolarHBondContact O-NH1 2.87Å; A86-R119 PolarHBondContact O-NH2 3.01Å
87P96.1Very high94.8Very high74 Ų7465.8 Ų65.848%0.48137%0.365SS..PPolyproline II helixtrans-64149.4177.425.1-30.5000110.9D34 A37D34-P87 HydrophobicContact CB-CG 4.21Å; D34-P87 WeakPolarHBondContact CB-O 3.38Å; D34-P87 PolarHBondContact N-O 3.42Å; A37-P87 HydrophobicContact CB-CG 3.82Å
88G95.2Very high94.1Very high35 Ų3565.3 Ų65.336%0.36137%0.366SS..EExtended strand (participates in β ladder)trans-76.6139.5168.100000110E32E32-G88 CarbonylContact O-C 3.59Å; E32-G88 VanDerWaalsContact O-CA 3.28Å; E32-G88 WeakPolarHBondContact O-CA 3.34Å
89C93.9Very high93.6Very high58 Ų5868.6 Ų68.639%0.39237%0.373SS..EExtended strand (participates in β ladder)trans-117.43.3177.958.50000114.4E32 D34E32-C89 PolarHBondContact O-N 3.35Å; D34-C89 HydrophobicContact CB-CB 3.94Å
90G93.7Very high93.4Very high31 Ų3168.2 Ų68.232%0.3237%0.373SS..EExtended strand (participates in β ladder)trans-177.3134.7172.300000111.7E31 E32E31-G90 CarbonylContact C-O 3.6Å; E31-G90 WeakPolarHBondContact CA-O 3.16Å; E31-G90 WeakPolarHBondContact CB-O 3.32Å; E32-G90 PolarHBondContact N-O 3.02Å
91E96.2Very high93.3Very high148 Ų14864 Ų6469%0.69236%0.356SS*.EExtended strand (participates in β ladder)trans-77141.6172.3-61.5-167168.500110.3K29K29-E91 WeakPolarHBondContact CE-OE1 3.44Å; K29-E91 IonicContact NZ-OE1 3.11Å; K29-E91 PolarHBondContact NZ-OE1 3.3Å; K29-E91 VanDerWaalsContact NZ-OE1 3.11Å
92L97.1Very high93.3Very high11 Ų1164.2 Ų64.26%0.05835%0.348CS..EExtended strand (participates in β ladder)trans-107.7142.8178.5-60.1-178.2000109.8V30 I103 K105 F114 P115 I118V30-L92 HydrophobicContact CB-CB 4.18Å; V30-L92 HydrophobicContact CG1-CB 3.95Å; V30-L92 HydrophobicContact CG1-CD1 4.02Å; V30-L92 HydrophobicContact CG1-CG 4.43Å; V30-L92 PolarHBondContact O-N 3.39Å; L92-I103 HydrophobicContact CB-CG2 3.83Å; L92-I103 HydrophobicContact CD1-CG2 3.98Å; L92-K105 HydrophobicContact CD2-CB 3.87Å; L92-K105 HydrophobicContact CD2-CD 4.05Å; L92-K105 HydrophobicContact CD2-CG 3.95Å; L92-F114 HydrophobicContact CD1-CZ 4.19Å; L92-P115 HydrophobicContact CD1-CG 4.49Å; L92-P115 HydrophobicContact CD2-CG 4.43Å; L92-I118 HydrophobicContact CD1-CB 4.36Å; L92-I118 HydrophobicContact CD1-CG2 3.53Å
93L96.9Very high93.3Very high80 Ų8060.3 Ų60.342%0.41933%0.333SS..EExtended strand (participates in β ladder)trans-74.2135.1174.4-62.8173.6000108.1I103 R104L93-I103 CarbonylContact O-C 3.5Å; L93-I103 WeakPolarHBondContact O-CA 3.48Å; L93-R104 HydrophobicContact CB-CG 3.6Å; L93-R104 HydrophobicContact CD1-CG 4.23Å; L93-R104 PolarHBondContact N-O 2.79Å; L93-R104 VanDerWaalsContact N-O 3.1Å; L93-R104 PolarHBondContact O-N 2.99Å
94F96.6Very high93.3Very high58 Ų5864.3 Ų64.325%0.25435%0.346SS..EExtended strand (participates in β ladder)trans-142.3151177.972.4-87.1000111.8V27 V30 T96 L101 Q102 I103V27-F94 HydrophobicContact CB-CD2 3.98Å; V27-F94 HydrophobicContact CB-CE2 3.61Å; V27-F94 HydrophobicContact CB-CZ 4.32Å; V27-F94 HydrophobicContact CG1-CD2 3.66Å; V27-F94 HydrophobicContact CG1-CE1 4.37Å; V27-F94 HydrophobicContact CG1-CE2 3.46Å; V27-F94 VanDerWaalsContact CG1-CE2 3.46Å; V27-F94 HydrophobicContact CG1-CG 4.22Å; V27-F94 HydrophobicContact CG1-CZ 3.84Å; V27-F94 WeakPolarHBondContact O-CE2 3.48Å; V30-F94 HydrophobicContact CB-CB 4.41Å; V30-F94 HydrophobicContact CB-CD1 4.02Å; V30-F94 HydrophobicContact CB-CG 4.43Å; V30-F94 HydrophobicContact CG2-CB 3.77Å; V30-F94 HydrophobicContact CG2-CD1 3.62Å; V30-F94 HydrophobicContact CG2-CD2 4.4Å; V30-F94 HydrophobicContact CG2-CE1 4.34Å; V30-F94 HydrophobicContact CG2-CG 3.66Å; F94-T96 HydrophobicContact CD2-CG2 4.31Å; F94-T96 HydrophobicContact CE2-CG2 4.49Å; F94-L101 HydrophobicContact CB-CD1 3.9Å; F94-L101 HydrophobicContact CD2-CD1 3.95Å; F94-L101 HydrophobicContact CG-CD1 4.29Å; F94-Q102 CarbonylContact C-O 3.51Å; F94-Q102 WeakPolarHBondContact CA-O 3.33Å; F94-Q102 WeakPolarHBondContact CB-O 3.24Å; F94-I103 HydrophobicContact CB-CG1 4.3Å
95D94.5Very high93.3Very high85 Ų8563.3 Ų63.346%0.45533%0.334SS..EExtended strand (participates in β ladder)trans-130.1136.5172.8-69.6-72.1000107.7Q102 R104D95-Q102 HydrophobicContact CB-CB 4.46Å; D95-Q102 PolarHBondContact N-O 3.03Å; D95-Q102 PolarHBondContact O-N 3.05Å; D95-R104 IonicContact OD2-NH2 2.74Å
96T90.8Very high93.2Very high70 Ų7061.3 Ų61.343%0.42933%0.333SS..EExtended strand (participates in β ladder)trans-110.9128.8176.149.70000109.7V27 F94 L101V27-T96 HydrophobicContact CB-CG2 3.63Å; V27-T96 HydrophobicContact CG2-CG2 3.48Å; V27-T96 VanDerWaalsContact CG2-CG2 3.48Å; F94-T96 HydrophobicContact CD2-CG2 4.31Å; F94-T96 HydrophobicContact CE2-CG2 4.49Å; T96-L101 HydrophobicContact CG2-CD1 3.82Å
97D83.8Confident92.9Very high74 Ų7463.7 Ų63.740%0.39636%0.358SS..  trans-108.5-168.1167.472.250.4000111.1W99 S100 Q102D97-W99 VanDerWaalsContact C-N 3.27Å; D97-W99 PolarHBondContact O-N 3.28Å; D97-W99 WeakPolarHBondContact OD1-CA 3.4Å; D97-W99 PolarHBondContact OD1-N 2.88Å; D97-S100 VanDerWaalsContact CG-OG 3.25Å; D97-S100 PolarHBondContact N-O 3.11Å; D97-S100 PolarHBondContact OD1-N 2.69Å; D97-S100 PolarHBondContact OD1-OG 2.9Å; D97-S100 PolarHBondContact OD2-OG 2.85Å; D97-Q102 PolarHBondContact OD2-NE2 2.76Å
98T80.8Confident92.8Very high90 Ų9060.3 Ų60.355%0.55234%0.336SS*.SBendtrans-69.1-26.8-177-540000112.8C23C23-T98 WeakPolarHBondContact CA-O 3.26Å
99W85.9Confident92.6Very high150 Ų15061.8 Ų61.857%0.56833%0.334SS*.SBendtrans-131.2-4.7-168.3-55.7107.9000113.8C22 C23 D97C22-W99 CarbonylContact C-O 3.57Å; C22-W99 PolarHBondContact N-O 2.75Å; C22-W99 CarbonylContact O-C 2.82Å; C22-W99 WeakPolarHBondContact O-CA 3.28Å; C23-W99 HydrophobicContact CB-CE3 3.93Å; C23-W99 HydrophobicContact CB-CZ3 4.01Å; C23-W99 VanDerWaalsContact SG-CZ3 3.52Å; D97-W99 VanDerWaalsContact C-N 3.27Å; D97-W99 PolarHBondContact O-N 3.28Å; D97-W99 WeakPolarHBondContact OD1-CA 3.4Å; D97-W99 PolarHBondContact OD1-N 2.88Å
100S91.1Very high92.4Very high10 Ų1062 Ų627%0.0733%0.333CS..EExtended strand (participates in β ladder)trans-147154.4-179.891.30000114.1L20 C22 D97L20-S100 CarbonylContact O-C 3.47Å; L20-S100 WeakPolarHBondContact O-CA 3.34Å; L20-S100 WeakPolarHBondContact O-CB 3.41Å; C22-S100 PolarHBondContact O-N 3.45Å; D97-S100 VanDerWaalsContact CG-OG 3.25Å; D97-S100 PolarHBondContact N-O 3.11Å; D97-S100 PolarHBondContact OD1-N 2.69Å; D97-S100 PolarHBondContact OD1-OG 2.9Å; D97-S100 PolarHBondContact OD2-OG 2.85Å
101L93.8Very high92.3Very high2 Ų263.1 Ų63.11%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-109.2121.2163.6167.260.6000107.6L20 C22 V27 F94 T96 I103 I120L20-L101 HydrophobicContact CB-CB 4.43Å; L20-L101 HydrophobicContact CD1-CD2 4.34Å; L20-L101 PolarHBondContact N-O 2.97Å; L20-L101 PolarHBondContact O-N 2.75Å; C22-L101 WeakPolarHBondContact SG-CB 3.25Å; C22-L101 PolarHBondContact SG-N 3Å; C22-L101 VanDerWaalsContact SG-N 3.36Å; V27-L101 HydrophobicContact CB-CD1 4.4Å; V27-L101 HydrophobicContact CG1-CD1 4.31Å; V27-L101 HydrophobicContact CG2-CD1 4Å; V27-L101 HydrophobicContact CG2-CD2 3.95Å; V27-L101 HydrophobicContact CG2-CG 4.46Å; F94-L101 HydrophobicContact CB-CD1 3.9Å; F94-L101 HydrophobicContact CD2-CD1 3.95Å; F94-L101 HydrophobicContact CG-CD1 4.29Å; T96-L101 HydrophobicContact CG2-CD1 3.82Å; L101-I103 HydrophobicContact CD1-CG1 4.04Å; L101-I103 HydrophobicContact CD2-CD1 3.9Å; L101-I103 HydrophobicContact CD2-CG1 4.23Å; L101-I103 HydrophobicContact CG-CD1 3.96Å; L101-I103 HydrophobicContact CG-CG1 3.79Å; L101-I120 HydrophobicContact CD2-CD1 3.77Å; L101-I120 HydrophobicContact CD2-CG1 4.28Å; L101-I120 HydrophobicContact CD2-CG2 3.92Å
102Q95.1Very high91.9Very high59 Ų5960 Ų6028%0.27633%0.331SS..EExtended strand (participates in β ladder)trans-104.7128.2179.2-57.2-178.429.700108.4L17 L18 V19 F94 D95 D97L17-Q102 HydrophobicContact CD1-CB 4.08Å; L17-Q102 HydrophobicContact CD2-CB 4.39Å; L17-Q102 HydrophobicContact CG-CB 4.4Å; L18-Q102 CarbonylContact O-C 3.57Å; L18-Q102 WeakPolarHBondContact O-CA 3.39Å; V19-Q102 HydrophobicContact CG1-CG 4.47Å; V19-Q102 HydrophobicContact CG2-CG 4.36Å; F94-Q102 CarbonylContact C-O 3.51Å; F94-Q102 WeakPolarHBondContact CA-O 3.33Å; F94-Q102 WeakPolarHBondContact CB-O 3.24Å; D95-Q102 HydrophobicContact CB-CB 4.46Å; D95-Q102 PolarHBondContact N-O 3.03Å; D95-Q102 PolarHBondContact O-N 3.05Å; D97-Q102 PolarHBondContact OD2-NE2 2.76Å
103I96.8Very high91.5Very high0 Ų062.9 Ų62.90%035%0.346CS..EExtended strand (participates in β ladder)trans-131.3132.5-174.7-49.8167000108.8L18 L20 V30 L92 L93 F94 L101 F114 I118 I120L18-I103 HydrophobicContact CB-CB 4.36Å; L18-I103 HydrophobicContact CD2-CD1 4.25Å; L18-I103 PolarHBondContact N-O 3.01Å; L18-I103 PolarHBondContact O-N 2.8Å; L20-I103 HydrophobicContact CD1-CD1 4.1Å; V30-I103 HydrophobicContact CG1-CD1 4.02Å; V30-I103 HydrophobicContact CG1-CG1 4.43Å; V30-I103 HydrophobicContact CG1-CG2 3.85Å; V30-I103 HydrophobicContact CG2-CD1 4.47Å; V30-I103 HydrophobicContact CG2-CG1 4.5Å; L92-I103 HydrophobicContact CB-CG2 3.83Å; L92-I103 HydrophobicContact CD1-CG2 3.98Å; L93-I103 CarbonylContact O-C 3.5Å; L93-I103 WeakPolarHBondContact O-CA 3.48Å; F94-I103 HydrophobicContact CB-CG1 4.3Å; L101-I103 HydrophobicContact CD1-CG1 4.04Å; L101-I103 HydrophobicContact CD2-CD1 3.9Å; L101-I103 HydrophobicContact CD2-CG1 4.23Å; L101-I103 HydrophobicContact CG-CD1 3.96Å; L101-I103 HydrophobicContact CG-CG1 3.79Å; I103-F114 HydrophobicContact CB-CZ 4.22Å; I103-F114 HydrophobicContact CG2-CE2 4.49Å; I103-F114 HydrophobicContact CG2-CZ 3.79Å; I103-I118 HydrophobicContact CD1-CD1 3.62Å; I103-I120 HydrophobicContact CD1-CD1 4.18Å
104R96.1Very high91.4Very high99 Ų9959.4 Ų59.437%0.37433%0.328SS..EExtended strand (participates in β ladder)trans-134.4151.4178.662.2-167.5165.5123.2-5.4111.9L17 L93 D95L17-R104 HydrophobicContact CD1-CB 4.02Å; L93-R104 HydrophobicContact CB-CG 3.6Å; L93-R104 HydrophobicContact CD1-CG 4.23Å; L93-R104 PolarHBondContact N-O 2.79Å; L93-R104 VanDerWaalsContact N-O 3.1Å; L93-R104 PolarHBondContact O-N 2.99Å; D95-R104 IonicContact OD2-NH2 2.74Å
105K94.4Very high91.3Very high37 Ų3756.9 Ų56.916%0.16132%0.318CS..  trans-123.7125.8174.1-177.8174.4177.9175.90108.8E32 E55 L92 G107 A108 F114 P115E32-K105 IonicContact OE2-NZ 2.8Å; E32-K105 PolarHBondContact OE2-NZ 3.01Å; E55-K105 IonicContact OE1-NZ 2.71Å; E55-K105 PolarHBondContact OE1-NZ 2.89Å; E55-K105 IonicContact OE2-NZ 2.67Å; E55-K105 PolarHBondContact OE2-NZ 2.79Å; L92-K105 HydrophobicContact CD2-CB 3.87Å; L92-K105 HydrophobicContact CD2-CD 4.05Å; L92-K105 HydrophobicContact CD2-CG 3.95Å; K105-G107 PolarHBondContact O-N 3.05Å; K105-A108 HydrophobicContact CB-CB 3.86Å; K105-A108 HydrophobicContact CD-CB 4.4Å; K105-A108 HydrophobicContact CG-CB 4.26Å; K105-A108 WeakPolarHBondContact O-CB 3.37Å; K105-A108 PolarHBondContact O-N 3.34Å; K105-F114 HydrophobicContact CB-CD2 4.2Å; K105-F114 HydrophobicContact CB-CE2 4.11Å; K105-P115 HydrophobicContact CD-CG 3.66Å
106T92.6Very high91.3Very high112 Ų11256 Ų5669%0.68731%0.31SS*.THydrogen-bonded Turntrans-58.4123.8178.6-51.60000110.7D15 A108D15-T106 WeakPolarHBondContact OD2-CA 3.44Å; T106-A108 VanDerWaalsContact C-N 3.33Å
107G90.6Very high91.5Very high55 Ų5553.7 Ų53.757%0.56730%0.298SS*.THydrogen-bonded Turntrans86.2-5.9179.400000114.9D15 K105 Q109D15-G107 WeakPolarHBondContact OD1-CA 3.36Å; D15-G107 PolarHBondContact OD1-N 2.59Å; K105-G107 PolarHBondContact O-N 3.05Å; G107-Q109 PolarHBondContact O-N 3.15Å
108A92.1Very high92.1Very high3 Ų352.4 Ų52.43%0.02529%0.291CS..  trans-84.5109171.100000108.5D15 F16 K105 T106 D113 F114D15-A108 CarbonylContact C-O 3.49Å; D15-A108 WeakPolarHBondContact CA-O 3.41Å; F16-A108 WeakPolarHBondContact CB-O 3.45Å; F16-A108 PolarHBondContact N-O 3.15Å; K105-A108 HydrophobicContact CB-CB 3.86Å; K105-A108 HydrophobicContact CD-CB 4.4Å; K105-A108 HydrophobicContact CG-CB 4.26Å; K105-A108 WeakPolarHBondContact O-CB 3.37Å; K105-A108 PolarHBondContact O-N 3.34Å; T106-A108 VanDerWaalsContact C-N 3.33Å; A108-D113 HydrophobicContact CB-CB 4.22Å; A108-D113 VanDerWaalsContact CB-O 3.31Å; A108-D113 WeakPolarHBondContact CB-O 3.23Å; A108-F114 HydrophobicContact CB-CD2 4.43Å
109Q91.4Very high92.9Very high66 Ų6650.4 Ų50.431%0.30827%0.274SS..  trans-99.7-18.1-173.4-66.3-67-32.800112.6S13 E14 D15 G107S13-Q109 VanDerWaalsContact C-OE1 3.3Å; S13-Q109 PolarHBondContact O-NE2 3.3Å; S13-Q109 PolarHBondContact O-OE1 3.43Å; S13-Q109 PolarHBondContact OG-OE1 2.64Å; E14-Q109 PolarHBondContact O-OE1 3.39Å; D15-Q109 PolarHBondContact OD1-NE2 3.11Å; G107-Q109 PolarHBondContact O-N 3.15Å
110T91.1Very high93.4Very high61 Ų6145.5 Ų45.537%0.37426%0.258SS..SBendtrans-130.9165.2178.176.80000111.3T112 D113 F114T110-T112 PolarHBondContact O-N 3.35Å; T110-T112 PolarHBondContact OG1-N 2.81Å; T110-D113 WeakPolarHBondContact CB-OD2 3.23Å; T110-D113 PolarHBondContact N-OD2 2.61Å; T110-D113 PolarHBondContact O-N 2.97Å; T110-D113 VanDerWaalsContact O-N 3.11Å; T110-D113 PolarHBondContact OG1-N 3.39Å; T110-D113 PolarHBondContact OG1-OD2 3.21Å; T110-F114 PolarHBondContact O-N 3.37Å
111A90.5Very high93.5Very high56 Ų5651.1 Ų51.146%0.46328%0.278SS..G310 helixtrans-60.1-27173.800000112.8F16 D113 F114F16-A111 HydrophobicContact CD2-CB 4.25Å; F16-A111 HydrophobicContact CE1-CB 4.31Å; F16-A111 HydrophobicContact CE2-CB 3.62Å; F16-A111 HydrophobicContact CZ-CB 3.65Å; A111-D113 VanDerWaalsContact C-N 3.33Å; A111-F114 PolarHBondContact O-N 3.45Å
112T88.5Confident93.5Very high83 Ų8356.5 Ų56.551%0.50930%0.299SS..G310 helixtrans-71.5-31.9178.4-52.20000112N59 T110 F114N59-T112 PolarHBondContact ND2-O 3.03Å; T110-T112 PolarHBondContact O-N 3.35Å; T110-T112 PolarHBondContact OG1-N 2.81Å; T112-F114 VanDerWaalsContact C-N 3.3Å
113D89Confident93.2Very high70 Ų7059.9 Ų59.937%0.37431%0.313SS..G310 helixtrans-88.8-1.3179.5-46.3-46.5000111.8A108 T110 A111A108-D113 HydrophobicContact CB-CB 4.22Å; A108-D113 VanDerWaalsContact CB-O 3.31Å; A108-D113 WeakPolarHBondContact CB-O 3.23Å; T110-D113 WeakPolarHBondContact CB-OD2 3.23Å; T110-D113 PolarHBondContact N-OD2 2.61Å; T110-D113 PolarHBondContact O-N 2.97Å; T110-D113 VanDerWaalsContact O-N 3.11Å; T110-D113 PolarHBondContact OG1-N 3.39Å; T110-D113 PolarHBondContact OG1-OD2 3.21Å; A111-D113 VanDerWaalsContact C-N 3.33Å
114F93.7Very high92.6Very high7 Ų762 Ų623%0.03133%0.325CS..SBendtrans-89.4146.4176.4-164-94.1000110.1F16 L18 N59 L92 I103 K105 A108 T110 A111 T112 H116 I118F16-F114 HydrophobicContact CD1-CB 3.76Å; F16-F114 AromaticContact CD1-CD2 3.62Å; F16-F114 HydrophobicContact CD1-CD2 3.62Å; F16-F114 HydrophobicContact CD1-CE2 4.39Å; F16-F114 AromaticContact CD1-CG 3.77Å; F16-F114 HydrophobicContact CD1-CG 3.77Å; F16-F114 HydrophobicContact CE1-CB 3.99Å; F16-F114 HydrophobicContact CE1-CD1 4.44Å; F16-F114 HydrophobicContact CE1-CD2 4.15Å; F16-F114 AromaticContact CE1-CG 3.93Å; F16-F114 HydrophobicContact CE1-CG 3.93Å; L18-F114 HydrophobicContact CB-CE1 4Å; L18-F114 HydrophobicContact CB-CE2 4.43Å; L18-F114 HydrophobicContact CB-CZ 3.9Å; L18-F114 HydrophobicContact CD2-CD1 4.4Å; L18-F114 HydrophobicContact CD2-CE1 3.61Å; L18-F114 HydrophobicContact CD2-CZ 4.13Å; L18-F114 HydrophobicContact CG-CE1 4.44Å; N59-F114 PolarHBondContact ND2-O 3.32Å; L92-F114 HydrophobicContact CD1-CZ 4.19Å; I103-F114 HydrophobicContact CB-CZ 4.22Å; I103-F114 HydrophobicContact CG2-CE2 4.49Å; I103-F114 HydrophobicContact CG2-CZ 3.79Å; K105-F114 HydrophobicContact CB-CD2 4.2Å; K105-F114 HydrophobicContact CB-CE2 4.11Å; A108-F114 HydrophobicContact CB-CD2 4.43Å; T110-F114 PolarHBondContact O-N 3.37Å; A111-F114 PolarHBondContact O-N 3.45Å; T112-F114 VanDerWaalsContact C-N 3.3Å; F114-H116 PolarHBondContact O-CD2 3.48Å; F114-H116 PolarHBondContact O-N 2.95Å; F114-I118 HydrophobicContact CE1-CG2 4.33Å
115P94.3Very high91.6Very high6 Ų661.9 Ų61.94%0.03933%0.328CS..  trans-62.4130.7179.3-24.634.9000112.8E32 L92 K105 A117 I118E32-P115 HydrophobicContact CB-CB 4.15Å; E32-P115 HydrophobicContact CB-CG 4.14Å; E32-P115 HydrophobicContact CG-CB 3.64Å; E32-P115 HydrophobicContact CG-CG 3.94Å; E32-P115 VanDerWaalsContact OE2-CG 3.29Å; E32-P115 WeakPolarHBondContact OE2-CG 3.02Å; L92-P115 HydrophobicContact CD1-CG 4.49Å; L92-P115 HydrophobicContact CD2-CG 4.43Å; K105-P115 HydrophobicContact CD-CG 3.66Å; P115-A117 VanDerWaalsContact C-N 3.33Å; P115-I118 HydrophobicContact CB-CG2 4.06Å
116H94.5Very high90.7Very high65 Ų6565.7 Ų65.730%0.30136%0.356SS..SBendtrans-81.5-11.6179.1-63165.7000114.1N59 V62 R63 F114N59-H116 VanDerWaalsContact CB-CE1 3.5Å; N59-H116 WeakPolarHBondContact CB-CE1 3.28Å; N59-H116 WeakPolarHBondContact CB-ND1 3.47Å; N59-H116 PolarHBondContact O-ND1 2.99Å; N59-H116 WeakPolarHBondContact OD1-CB 3.45Å; N59-H116 PolarHBondContact OD1-N 3.3Å; V62-H116 HydrophobicContact CB-CB 3.89Å; V62-H116 HydrophobicContact CG1-CB 3.77Å; V62-H116 HydrophobicContact CG2-CB 4.17Å; R63-H116 PolarHBondContact NE-CE1 3.5Å; R63-H116 VanDerWaalsContact NE-CE1 3.25Å; R63-H116 PolarHBondContact NH2-CE1 3.11Å; F114-H116 PolarHBondContact O-CD2 3.48Å; F114-H116 PolarHBondContact O-N 2.95Å
117A95.4Very high89.7Confident22 Ų2267.3 Ų67.318%0.18236%0.356CS..  trans-130113.6175.300000109.7V33 V35 V62 P115V33-A117 HydrophobicContact CB-CB 4.21Å; V33-A117 PolarHBondContact N-O 2.78Å; V35-A117 HydrophobicContact CG1-CB 3.82Å; V62-A117 HydrophobicContact CG2-CB 3.79Å; P115-A117 VanDerWaalsContact C-N 3.33Å
118I96.8Very high88.6Confident47 Ų4765.2 Ų65.224%0.24133%0.334CS..EExtended strand (participates in β ladder)trans-124.5153177.763.3168.8000110.2L18 V30 E31 L92 I103 F114 P115 I120L18-I118 HydrophobicContact CD2-CD1 3.97Å; V30-I118 HydrophobicContact CG1-CD1 4.36Å; E31-I118 CarbonylContact O-C 3.5Å; E31-I118 VanDerWaalsContact O-CA 3.26Å; E31-I118 WeakPolarHBondContact O-CA 3.31Å; L92-I118 HydrophobicContact CD1-CB 4.36Å; L92-I118 HydrophobicContact CD1-CG2 3.53Å; I103-I118 HydrophobicContact CD1-CD1 3.62Å; F114-I118 HydrophobicContact CE1-CG2 4.33Å; P115-I118 HydrophobicContact CB-CG2 4.06Å; I118-I120 HydrophobicContact CD1-CD1 4.1Å; I118-I120 HydrophobicContact CD1-CG1 4.24Å
119R96.9Very high87.4Confident49 Ų4974.1 Ų74.119%0.18537%0.367CS..EExtended strand (participates in β ladder)trans-117.6127.1172.3179.3164.452.6-153.2-9.5109.2V30 E31 V33 S84 A86V30-R119 WeakPolarHBondContact CA-O 3.36Å; E31-R119 HydrophobicContact CG-CB 4.08Å; E31-R119 PolarHBondContact N-O 3.07Å; E31-R119 PolarHBondContact O-N 3.39Å; E31-R119 IonicContact OE1-CZ 2.79Å; E31-R119 IonicContact OE1-NE 2.7Å; E31-R119 PolarHBondContact OE1-NE 3.49Å; E31-R119 IonicContact OE1-NH2 3.5Å; E31-R119 PolarHBondContact OE1-NH2 2.85Å; V33-R119 HydrophobicContact CG2-CB 3.63Å; S84-R119 PolarHBondContact O-NH1 2.94Å; A86-R119 PolarHBondContact O-NH1 2.87Å; A86-R119 PolarHBondContact O-NH2 3.01Å
120I96.1Very high86.1Confident47 Ų4773.4 Ų73.424%0.24137%0.37CS..EExtended strand (participates in β ladder)trans-111.5117.8179.6-58.8162.8000107.5L20 V27 V30 L101 I103 I118 Y122L20-I120 HydrophobicContact CD1-CD1 3.74Å; V27-I120 HydrophobicContact CG1-CG2 3.86Å; V27-I120 HydrophobicContact CG2-CG2 4.25Å; V30-I120 HydrophobicContact CG1-CG1 4.16Å; V30-I120 HydrophobicContact CG2-CG1 4.23Å; V30-I120 HydrophobicContact CG2-CG2 4.36Å; L101-I120 HydrophobicContact CD2-CD1 3.77Å; L101-I120 HydrophobicContact CD2-CG1 4.28Å; L101-I120 HydrophobicContact CD2-CG2 3.92Å; I103-I120 HydrophobicContact CD1-CD1 4.18Å; I118-I120 HydrophobicContact CD1-CD1 4.1Å; I118-I120 HydrophobicContact CD1-CG1 4.24Å; I120-Y122 HydrophobicContact CG2-CD1 4.27Å
121W94.9Very high84.8Confident127 Ų12773.7 Ų73.748%0.48137%0.371SS..EExtended strand (participates in β ladder)trans-91.6117.4172.5-61.684.9000108L28 K29 E31L28-W121 HydrophobicContact CB-CB 4.28Å; L28-W121 PolarHBondContact N-O 3.43Å; K29-W121 HydrophobicContact CB-CB 4.08Å; K29-W121 HydrophobicContact CB-CG 4.16Å; K29-W121 PolarHBondContact N-O 2.96Å; K29-W121 PolarHBondContact O-N 3.45Å; E31-W121 PolarHBondContact OE1-NE1 3.23Å
122Y92.9Very high83.1Confident115 Ų11575.7 Ų75.745%0.45138%0.378SS..EExtended strand (participates in β ladder)trans-137.1159.9-177.766.6-89000112L25 S26 I120 T124L25-Y122 HydrophobicContact CD2-CD2 3.72Å; L25-Y122 HydrophobicContact CD2-CE2 4.04Å; L25-Y122 HydrophobicContact CD2-CG 4.43Å; S26-Y122 CarbonylContact O-C 3.56Å; S26-Y122 VanDerWaalsContact O-CA 3.31Å; S26-Y122 WeakPolarHBondContact O-CA 3.38Å; I120-Y122 HydrophobicContact CG2-CD1 4.27Å; Y122-T124 HydrophobicContact CD2-CG2 4.03Å; Y122-T124 HydrophobicContact CE2-CG2 3.72Å
123K88.9Confident81.4Confident131 Ų13181.2 Ų81.257%0.5739%0.389SS*.EExtended strand (participates in β ladder)trans-115.2139165.7-68.3170.1177.4173.50108.5S26 L28S26-K123 PolarHBondContact N-O 2.95Å; S26-K123 PolarHBondContact O-N 3.18Å; L28-K123 HydrophobicContact CD1-CD 4.21Å; L28-K123 HydrophobicContact CD1-CG 4.1Å; L28-K123 HydrophobicContact CD2-CD 4.34Å
124T84.7Confident79.9Confident43 Ų4383.5 Ų83.526%0.26441%0.406SS..EExtended strand (participates in β ladder)trans-88.6150.3168.655.30000109.3L25 Y122 V131 W133L25-T124 HydrophobicContact CD2-CG2 4.16Å; Y122-T124 HydrophobicContact CD2-CG2 4.03Å; Y122-T124 HydrophobicContact CE2-CG2 3.72Å; T124-V131 HydrophobicContact CG2-CB 3.87Å; T124-V131 HydrophobicContact CG2-CG1 4.36Å; T124-V131 HydrophobicContact CG2-CG2 4.1Å; T124-W133 PolarHBondContact OG1-NE1 2.88Å
125K74.6Confident78.3Confident98 Ų9888.5 Ų88.543%0.42644%0.442SS..  trans-95.4146.4169.5-63.7178.9-175.2170.70109S26 E127 G128S26-K125 WeakPolarHBondContact OG-CE 3.31Å; K125-E127 PolarHBondContact O-N 2.91Å; K125-G128 WeakPolarHBondContact O-CA 3.22Å; K125-G128 PolarHBondContact O-N 2.88Å
126P74.4Confident76.8Confident116 Ų11692.3 Ų92.375%0.75346%0.462SS*.THydrogen-bonded Turntrans-55.5-29.5173.7-24.934.3000113.3G128P126-G128 VanDerWaalsContact C-N 3.26Å; P126-G128 PolarHBondContact O-N 3.5Å
127E72.8Confident75Confident146 Ų14699.3 Ų99.368%0.68250%0.495SS*.THydrogen-bonded Turntrans-83.8-2.4178-51.474-155.800113K125K125-E127 PolarHBondContact O-N 2.91Å
128G66.9Low73.5Confident12 Ų12101.6 Ų101.612%0.12451%0.51CS..  trans-75137.7-169.700000113.6D24 K125 P126D24-G128 VanDerWaalsContact CB-CA 3.4Å; D24-G128 WeakPolarHBondContact OD2-CA 3.47Å; K125-G128 WeakPolarHBondContact O-CA 3.22Å; K125-G128 PolarHBondContact O-N 2.88Å; P126-G128 VanDerWaalsContact C-N 3.26Å; P126-G128 PolarHBondContact O-N 3.5Å
129R67.3Low71.4Confident189 Ų189102.9 Ų102.971%0.71353%0.534SS*.SBendtrans-96-15.7-175.1-55.1-179-153176.16.9114.5D24D24-R129 PolarHBondContact OD2-N 2.9Å
130S63.7Low69.2Low51 Ų51114 Ų11436%0.35758%0.576SS.*SBendtrans-79.5-29.4-176.3-58.70000114C23C23-S130 VanDerWaalsContact C-OG 3.25Å; C23-S130 VanDerWaalsContact CA-OG 3.25Å; C23-S130 WeakPolarHBondContact CA-OG 3.42Å; C23-S130 WeakPolarHBondContact CB-OG 3.48Å; C23-S130 PolarHBondContact N-OG 3.17Å; C23-S130 VanDerWaalsContact O-CB 3.22Å; C23-S130 WeakPolarHBondContact O-CB 3.41Å; C23-S130 PolarHBondContact O-OG 3.43Å
131V63.6Low67.8Low67 Ų67117.4 Ų117.441%0.40659%0.593SS.*SBendtrans-135.282.4177.6-172.60000106.7L25 T124 W133L25-V131 HydrophobicContact CD2-CG2 4.46Å; T124-V131 HydrophobicContact CG2-CB 3.87Å; T124-V131 HydrophobicContact CG2-CG1 4.36Å; T124-V131 HydrophobicContact CG2-CG2 4.1Å; V131-W133 PolarHBondContact O-N 2.86Å
132T54.9Low66.4Low98 Ų98116.9 Ų116.960%0.60160%0.599SS**  trans-65.6124.4178.4-51.20000108.8T134T132-T134 VanDerWaalsContact C-N 3.27Å; T132-T134 HydrophobicContact CG2-CG2 4.46Å; T132-T134 PolarHBondContact O-N 3.3Å
133W53.4Low64.9Low200 Ų200117 Ų11776%0.75861%0.607SS**  trans-65.892167-72.572.2000107.8T124 V131T124-W133 PolarHBondContact OG1-NE1 2.88Å; V131-W133 PolarHBondContact O-N 2.86Å
134T57.2Low63.5Low118 Ų118116.2 Ų116.272%0.72461%0.61SS**PPolyproline II helixtrans-79.3131170.959.50000107.9T132 D136T132-T134 VanDerWaalsContact C-N 3.27Å; T132-T134 HydrophobicContact CG2-CG2 4.46Å; T132-T134 PolarHBondContact O-N 3.3Å; T134-D136 PolarHBondContact O-N 3.45Å
135S61.1Low62.2Low112 Ų112120.8 Ų120.878%0.78363%0.631SS**PPolyproline II helixtrans-49.8139.8164.2-440000108.5
136D62.3Low61.4Low85 Ų85122.3 Ų122.346%0.45565%0.645SS.*PPolyproline II helixtrans-57.8152.5173.977.35.3000109.6T134 S138 G139 R140T134-D136 PolarHBondContact O-N 3.45Å; D136-S138 PolarHBondContact O-N 3.38Å; D136-S138 WeakPolarHBondContact OD1-CA 3.42Å; D136-S138 PolarHBondContact OD1-N 2.63Å; D136-S138 PolarHBondContact OD1-OG 3.43Å; D136-S138 WeakPolarHBondContact OD2-CB 3.47Å; D136-S138 PolarHBondContact OD2-OG 2.89Å; D136-G139 PolarHBondContact O-N 3.02Å; D136-G139 PolarHBondContact OD1-N 3.03Å; D136-R140 PolarHBondContact OD1-N 3.03Å
137Q56.8Low60.5Low212 Ų212122.7 Ų122.799%0.99164%0.637SS**THydrogen-bonded Turntrans-70.23.6175.8-64.4-173-10.100112.2
138S63.8Low59.5Low71 Ų71120.9 Ų120.950%0.49763%0.634SS.*THydrogen-bonded Turntrans-92.3-13.4-179.298.60000112.4D136 R140D136-S138 PolarHBondContact O-N 3.38Å; D136-S138 WeakPolarHBondContact OD1-CA 3.42Å; D136-S138 PolarHBondContact OD1-N 2.63Å; D136-S138 PolarHBondContact OD1-OG 3.43Å; D136-S138 WeakPolarHBondContact OD2-CB 3.47Å; D136-S138 PolarHBondContact OD2-OG 2.89Å; S138-R140 PolarHBondContact O-N 3.2Å; S138-R140 WeakPolarHBondContact OG-CB 3.41Å
139G53.3Low58.9Low74 Ų74130 Ų13076%0.76368%0.676SS**  trans58.826.8-179.700000112.2D136D136-G139 PolarHBondContact O-N 3.02Å; D136-G139 PolarHBondContact OD1-N 3.03Å
140R49.5Very low58.1Low283 Ų283124.6 Ų124.6100%1.06867%0.673SS**  trans-108.40178.4-72.6-173.7161-158.9-4.5111.9D136 S138D136-R140 PolarHBondContact OD1-N 3.03Å; S138-R140 PolarHBondContact O-N 3.2Å; S138-R140 WeakPolarHBondContact OG-CB 3.41Å

Retrieved 140 of 140 residues in 67.4 ms (Link to these results)