A0A087XUH4_POEFO Loading...

Ceramide kinase

AlphaFold DB , UniProt , Accession A0A087XUH4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 546 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
1M47.6Very low76.9Confident248 Ų248113.2 Ų113.2100%1.22257%0.568SS**  0620-73-178.9-12400107.8
2E37Very low78.3Confident190 Ų190103.8 Ų103.889%0.88852%0.521SS*.  trans-104130.5-175.6-73.8173.715200108.7
3N47.8Very low79.3Confident164 Ų16499 Ų9988%0.87750%0.495SS*.  trans63.657173-77.91.7000119.3
4Q60.2Low80.2Confident110 Ų11095.1 Ų95.151%0.51448%0.475SS..  trans-106.7125.8149.7-75-170.8-8.700109.3K6 Y24Q4-K6 PolarHBondContact O-N 3.45Å; Q4-Y24 HydrophobicContact CB-CD1 4.26Å
5D84.3Confident80.4Confident146 Ų146100.9 Ų100.978%0.78150%0.495SS*.  trans-63132.8175.9-70.9-32.2000110
6K90.7Very high80.5Confident117 Ų117105.8 Ų105.851%0.50952%0.517SS..  trans-70.1132.1177.3-65.6176.6179.7-175.50108.9Q4 V22 Y24Q4-K6 PolarHBondContact O-N 3.45Å; K6-V22 HydrophobicContact CB-CG1 4.27Å; K6-V22 HydrophobicContact CD-CG1 3.82Å; K6-V22 HydrophobicContact CG-CG1 3.81Å; K6-Y24 HydrophobicContact CD-CE1 4.46Å; K6-Y24 WeakPolarHBondContact CE-OH 3.37Å; K6-Y24 HydrophobicContact CG-CD1 4.13Å; K6-Y24 HydrophobicContact CG-CE1 3.48Å; K6-Y24 VanDerWaalsContact CG-CE1 3.48Å
7I95Very high81Confident65 Ų65108.3 Ų108.333%0.33352%0.519SS..SBendtrans-80.5-52.3177.5-58.9175.9000110L23 P25 V123 Q127I7-L23 WeakPolarHBondContact CB-O 3.08Å; I7-L23 HydrophobicContact CD1-CD2 4.5Å; I7-L23 HydrophobicContact CD1-CG 4.39Å; I7-L23 PolarHBondContact N-O 2.63Å; I7-P25 HydrophobicContact CD1-CB 4.38Å; I7-P25 HydrophobicContact CD1-CG 4.04Å; I7-P25 HydrophobicContact CG1-CG 4.32Å; I7-V123 HydrophobicContact CG2-CG1 3.46Å; I7-V123 VanDerWaalsContact CG2-CG1 3.46Å; I7-Q127 VanDerWaalsContact CD1-CD 3.4Å; I7-Q127 HydrophobicContact CD1-CG 3.9Å
8I96.4Very high81.6Confident14 Ų14106.4 Ų106.47%0.07251%0.509CS..EExtended strand (participates in β ladder)trans-148146.2178.2-174.9168.5000109.8L23 Q119 W120 V123I8-L23 HydrophobicContact CG2-CB 3.72Å; I8-L23 HydrophobicContact CG2-CD2 4.11Å; I8-L23 PolarHBondContact O-N 2.83Å; I8-Q119 HydrophobicContact CD1-CB 4.36Å; I8-Q119 HydrophobicContact CD1-CG 3.7Å; I8-W120 HydrophobicContact CB-CZ2 4.45Å; I8-W120 HydrophobicContact CD1-CD2 4.19Å; I8-W120 HydrophobicContact CD1-CG 4.31Å; I8-W120 HydrophobicContact CD1-CZ2 4.44Å; I8-W120 HydrophobicContact CG1-CZ2 3.96Å; I8-W120 HydrophobicContact CG2-CD2 4.22Å; I8-W120 HydrophobicContact CG2-CE3 3.92Å; I8-W120 HydrophobicContact CG2-CH2 3.68Å; I8-W120 HydrophobicContact CG2-CZ2 3.96Å; I8-W120 HydrophobicContact CG2-CZ3 3.67Å; I8-V123 HydrophobicContact CG2-CG1 3.99Å
9C96.2Very high82.3Confident55 Ų55101.1 Ų101.137%0.37248%0.483SS..EExtended strand (participates in β ladder)trans-142134.9179.3-177.70000109.1V21 V22C9-V21 WeakPolarHBondContact CA-O 3.46Å; C9-V22 HydrophobicContact CB-CG1 4.47Å; C9-V22 HydrophobicContact CB-CG2 4.49Å
10S95.4Very high83Confident20 Ų2098.8 Ų98.814%0.1447%0.472CS..EExtended strand (participates in β ladder)trans-151.3150.4178.7-590000111.3V21 W120S10-V21 PolarHBondContact N-O 3.22Å; S10-V21 PolarHBondContact O-N 2.84Å; S10-W120 PolarHBondContact OG-NE1 3.35Å
11E94.9Very high83.6Confident116 Ų11694 Ų9454%0.54245%0.449SS..EExtended strand (participates in β ladder)trans-87.6110.8166.8-60.6-173.4137.700108.9K18 V19 I33E11-K18 VanDerWaalsContact CD-CE 3.46Å; E11-K18 IonicContact OE1-NZ 3.7Å; E11-K18 PolarHBondContact OE1-NZ 3.24Å; E11-K18 WeakPolarHBondContact OE2-CE 3.49Å; E11-K18 IonicContact OE2-NZ 3.74Å; E11-K18 PolarHBondContact OE2-NZ 2.79Å; E11-V19 CarbonylContact C-O 3.59Å; E11-V19 WeakPolarHBondContact CA-O 3.45Å; E11-I33 HydrophobicContact CB-CD1 4.27Å; E11-I33 HydrophobicContact CG-CD1 3.79Å; E11-I33 WeakPolarHBondContact OE1-CD1 3.43Å
12L94.1Very high86Confident1 Ų182.6 Ų82.61%0.00539%0.393CS..EExtended strand (participates in β ladder)trans-118.6177.4-176.9-56.2179.1000110.4V19 V21 F89 F109 C111 I116L12-V19 HydrophobicContact CB-CG2 4.37Å; L12-V19 PolarHBondContact N-O 2.9Å; L12-V19 WeakPolarHBondContact O-CG2 3.3Å; L12-V19 PolarHBondContact O-N 2.88Å; L12-V21 HydrophobicContact CB-CG2 4.02Å; L12-V21 HydrophobicContact CD1-CB 4.02Å; L12-V21 HydrophobicContact CD1-CG2 3.82Å; L12-V21 HydrophobicContact CG-CG2 4.12Å; L12-F89 HydrophobicContact CD1-CE1 3.71Å; L12-F89 HydrophobicContact CD1-CZ 3.69Å; L12-F109 HydrophobicContact CB-CB 4.2Å; L12-F109 HydrophobicContact CB-CD1 4.44Å; L12-F109 HydrophobicContact CD1-CB 3.78Å; L12-F109 HydrophobicContact CD1-CD1 4.46Å; L12-F109 HydrophobicContact CD1-CG 4.12Å; L12-C111 HydrophobicContact CD2-CB 3.9Å; L12-I116 HydrophobicContact CD2-CG2 3.89Å
13F91.8Very high88.9Confident41 Ų4173.6 Ų73.618%0.1835%0.351CS..EExtended strand (participates in β ladder)trans-115126.8174.8-71.6-91.5000111.2R17 K18 Y85 F109 H110F13-R17 WeakPolarHBondContact CA-O 3.47Å; F13-K18 HydrophobicContact CD1-CB 4.34Å; F13-K18 HydrophobicContact CE1-CB 3.92Å; F13-K18 HydrophobicContact CE1-CG 4.16Å; F13-K18 HydrophobicContact CZ-CB 4.37Å; F13-K18 HydrophobicContact CZ-CD 4.48Å; F13-K18 HydrophobicContact CZ-CG 4.12Å; F13-Y85 HydrophobicContact CD1-CE2 4.14Å; F13-Y85 AromaticContact CD2-CD1 3.96Å; F13-Y85 HydrophobicContact CD2-CD1 3.96Å; F13-Y85 HydrophobicContact CD2-CD2 4.25Å; F13-Y85 AromaticContact CD2-CE1 3.7Å; F13-Y85 HydrophobicContact CD2-CE1 3.7Å; F13-Y85 HydrophobicContact CD2-CE2 4.01Å; F13-Y85 HydrophobicContact CD2-CG 4.24Å; F13-Y85 AromaticContact CD2-CZ 3.73Å; F13-Y85 HydrophobicContact CE1-CE2 4.13Å; F13-Y85 AromaticContact CE1-CZ 3.98Å; F13-Y85 HydrophobicContact CE2-CD1 4.08Å; F13-Y85 AromaticContact CE2-CE1 3.35Å; F13-Y85 HydrophobicContact CE2-CE1 3.35Å; F13-Y85 HydrophobicContact CE2-CE2 4.01Å; F13-Y85 AromaticContact CE2-CZ 3.31Å; F13-Y85 WeakPolarHBondContact CE2-OH 3.33Å; F13-Y85 HydrophobicContact CG-CD2 4.29Å; F13-Y85 HydrophobicContact CG-CE2 4.08Å; F13-Y85 AromaticContact CZ-CE1 3.98Å; F13-Y85 HydrophobicContact CZ-CE1 3.98Å; F13-Y85 HydrophobicContact CZ-CE2 4.06Å; F13-Y85 AromaticContact CZ-CZ 3.45Å; F13-Y85 VanDerWaalsContact CZ-CZ 3.45Å; F13-Y85 WeakPolarHBondContact CZ-OH 3.21Å; F13-F109 CarbonylContact O-C 3.56Å; F13-F109 WeakPolarHBondContact O-CA 3.38Å; F13-H110 HydrophobicContact CB-CB 4.13Å; F13-H110 PolarHBondContact N-O 2.85Å; F13-H110 PolarHBondContact O-N 2.83Å
14Q91.1Very high91.1Very high45 Ų4568.8 Ų68.821%0.2132%0.321CS..EExtended strand (participates in β ladder)trans-107.6112.5168.8-168.1-170.521.100107.7Q16 R17 V19 V107Q14-Q16 PolarHBondContact O-N 2.93Å; Q14-R17 PolarHBondContact N-O 2.96Å; Q14-R17 PolarHBondContact O-N 2.97Å; Q14-V19 HydrophobicContact CB-CG1 4.04Å; Q14-V19 HydrophobicContact CB-CG2 4.04Å; Q14-V107 HydrophobicContact CG-CG2 4.28Å; Q14-V107 VanDerWaalsContact NE2-CG2 3.29Å
15K83.8Confident92.7Very high181 Ų18166.4 Ų66.479%0.78732%0.316SS*.THydrogen-bonded Turntrans57.8-100.4-169.4-55.1174.1-178.3173.70111.4
16Q81.6Confident93.2Very high179 Ų17961.7 Ų61.784%0.83630%0.297SS*.THydrogen-bonded Turntrans-121.48.7178.4-68.2-173.8-14.300113Q14Q14-Q16 PolarHBondContact O-N 2.93Å
17R88.6Confident93.4Very high149 Ų14958.1 Ų58.156%0.56228%0.284SS*.EExtended strand (participates in β ladder)trans-107.2136.3-176-64.4172.7176.3-152.78.3109.6F13 Q14 E32F13-R17 WeakPolarHBondContact CA-O 3.47Å; Q14-R17 PolarHBondContact N-O 2.96Å; Q14-R17 PolarHBondContact O-N 2.97Å; R17-E32 HydrophobicContact CB-CG 4.4Å; R17-E32 WeakPolarHBondContact CD-OE1 3.34Å; R17-E32 WeakPolarHBondContact CD-OE2 3.34Å; R17-E32 WeakPolarHBondContact CG-OE1 3.4Å; R17-E32 IonicContact CZ-OE2 3.86Å; R17-E32 IonicContact NE-OE1 3.69Å; R17-E32 IonicContact NE-OE2 3.91Å; R17-E32 IonicContact NH1-OE1 3.67Å; R17-E32 IonicContact NH1-OE2 2.99Å; R17-E32 PolarHBondContact NH1-OE2 3.41Å
18K92.5Very high93.6Very high75 Ų7555 Ų5533%0.32627%0.269SS..EExtended strand (participates in β ladder)trans-79.4126.1174.9-164.6-177.1178.5-171.10108.1E11 F13 I33E11-K18 VanDerWaalsContact CD-CE 3.46Å; E11-K18 IonicContact OE1-NZ 3.7Å; E11-K18 PolarHBondContact OE1-NZ 3.24Å; E11-K18 WeakPolarHBondContact OE2-CE 3.49Å; E11-K18 IonicContact OE2-NZ 3.74Å; E11-K18 PolarHBondContact OE2-NZ 2.79Å; F13-K18 HydrophobicContact CD1-CB 4.34Å; F13-K18 HydrophobicContact CE1-CB 3.92Å; F13-K18 HydrophobicContact CE1-CG 4.16Å; F13-K18 HydrophobicContact CZ-CB 4.37Å; F13-K18 HydrophobicContact CZ-CD 4.48Å; F13-K18 HydrophobicContact CZ-CG 4.12Å; K18-I33 HydrophobicContact CD-CD1 4.21Å; K18-I33 HydrophobicContact CG-CD1 4.1Å; K18-I33 PolarHBondContact O-N 2.84Å
19V94.7Very high93.6Very high4 Ų455.3 Ų55.32%0.02427%0.273CS..EExtended strand (participates in β ladder)trans-126139.8-176.7-65.60000110.2E11 L12 Q14 V21 K31 F109E11-V19 CarbonylContact C-O 3.59Å; E11-V19 WeakPolarHBondContact CA-O 3.45Å; L12-V19 HydrophobicContact CB-CG2 4.37Å; L12-V19 PolarHBondContact N-O 2.9Å; L12-V19 WeakPolarHBondContact O-CG2 3.3Å; L12-V19 PolarHBondContact O-N 2.88Å; Q14-V19 HydrophobicContact CB-CG1 4.04Å; Q14-V19 HydrophobicContact CB-CG2 4.04Å; V19-V21 HydrophobicContact CB-CG2 4.48Å; V19-V21 HydrophobicContact CG2-CG2 3.74Å; V19-K31 CarbonylContact C-O 3.56Å; V19-K31 WeakPolarHBondContact CA-O 3.32Å; V19-K31 WeakPolarHBondContact CB-O 3.34Å; V19-F109 HydrophobicContact CG2-CD1 4.09Å; V19-F109 HydrophobicContact CG2-CE1 4.16Å
20E95.7Very high93.5Very high55 Ų5553.2 Ų53.226%0.25726%0.257SS..EExtended strand (participates in β ladder)trans-84.4119.6165.2-177.3-178.5-130.400107.2V22 W30 K31 I33E20-V22 HydrophobicContact CG-CG2 4.04Å; E20-W30 WeakPolarHBondContact O-CA 2.78Å; E20-K31 HydrophobicContact CB-CG 4.34Å; E20-K31 PolarHBondContact N-O 3.06Å; E20-K31 PolarHBondContact O-N 2.85Å; E20-K31 WeakPolarHBondContact OE2-CE 3.29Å; E20-K31 IonicContact OE2-NZ 2.63Å; E20-K31 PolarHBondContact OE2-NZ 3.16Å; E20-I33 HydrophobicContact CB-CD1 4.08Å; E20-I33 HydrophobicContact CB-CG1 4.07Å
21V96.6Very high93.5Very high0 Ų057.7 Ų57.70%027%0.274CS..EExtended strand (participates in β ladder)trans-111.4129.6178.7-170.30000108.5C9 S10 L12 V19 L28 A29 W30 F109 W120C9-V21 WeakPolarHBondContact CA-O 3.46Å; S10-V21 PolarHBondContact N-O 3.22Å; S10-V21 PolarHBondContact O-N 2.84Å; L12-V21 HydrophobicContact CB-CG2 4.02Å; L12-V21 HydrophobicContact CD1-CB 4.02Å; L12-V21 HydrophobicContact CD1-CG2 3.82Å; L12-V21 HydrophobicContact CG-CG2 4.12Å; V19-V21 HydrophobicContact CB-CG2 4.48Å; V19-V21 HydrophobicContact CG2-CG2 3.74Å; V21-L28 HydrophobicContact CG1-CD1 3.88Å; V21-A29 WeakPolarHBondContact CA-O 3.19Å; V21-W30 HydrophobicContact CB-CB 4.4Å; V21-W30 HydrophobicContact CG1-CB 4.34Å; V21-W30 HydrophobicContact CG2-CB 3.93Å; V21-F109 HydrophobicContact CG1-CE1 4.33Å; V21-F109 HydrophobicContact CG1-CE2 4.35Å; V21-F109 HydrophobicContact CG1-CZ 4.08Å; V21-F109 HydrophobicContact CG2-CD1 3.7Å; V21-F109 HydrophobicContact CG2-CE1 3.52Å; V21-F109 HydrophobicContact CG2-CG 4.42Å; V21-F109 HydrophobicContact CG2-CZ 4.11Å; V21-W120 HydrophobicContact CB-CH2 4.09Å; V21-W120 HydrophobicContact CB-CZ2 4.17Å; V21-W120 HydrophobicContact CG1-CH2 3.65Å; V21-W120 HydrophobicContact CG1-CZ2 4.16Å; V21-W120 HydrophobicContact CG1-CZ3 3.95Å; V21-W120 WeakPolarHBondContact O-CH2 3.32Å; V21-W120 WeakPolarHBondContact O-CZ2 3.36Å
22V97.3Very high93.4Very high7 Ų756.8 Ų56.84%0.04227%0.27CS..EExtended strand (participates in β ladder)trans-133.5130.6-175.7-167.60000109.4K6 C9 E20 Y24 A29K6-V22 HydrophobicContact CB-CG1 4.27Å; K6-V22 HydrophobicContact CD-CG1 3.82Å; K6-V22 HydrophobicContact CG-CG1 3.81Å; C9-V22 HydrophobicContact CB-CG1 4.47Å; C9-V22 HydrophobicContact CB-CG2 4.49Å; E20-V22 HydrophobicContact CG-CG2 4.04Å; V22-Y24 HydrophobicContact CB-CE2 4.01Å; V22-Y24 HydrophobicContact CG1-CD2 4.19Å; V22-Y24 HydrophobicContact CG1-CE1 4.31Å; V22-Y24 HydrophobicContact CG1-CE2 3.6Å; V22-A29 PolarHBondContact N-O 3.33Å; V22-A29 PolarHBondContact O-N 2.89Å
23L97.4Very high93.1Very high1 Ų159.2 Ų59.21%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-105.3124.8169.8-174.166.4000110.3I7 I8 L28 V54 W120 V123 I124 Q127I7-L23 WeakPolarHBondContact CB-O 3.08Å; I7-L23 HydrophobicContact CD1-CD2 4.5Å; I7-L23 HydrophobicContact CD1-CG 4.39Å; I7-L23 PolarHBondContact N-O 2.63Å; I8-L23 HydrophobicContact CG2-CB 3.72Å; I8-L23 HydrophobicContact CG2-CD2 4.11Å; I8-L23 PolarHBondContact O-N 2.83Å; L23-L28 HydrophobicContact CB-CD1 4.47Å; L23-L28 HydrophobicContact CD1-CB 4.05Å; L23-L28 HydrophobicContact CD1-CD1 4.18Å; L23-V54 HydrophobicContact CD1-CG2 3.84Å; L23-W120 HydrophobicContact CB-CH2 4.21Å; L23-W120 HydrophobicContact CB-CZ3 3.81Å; L23-V123 HydrophobicContact CD2-CG1 3.66Å; L23-I124 HydrophobicContact CD2-CG1 4.01Å; L23-Q127 HydrophobicContact CD2-CG 4Å
24Y95.6Very high92.3Very high63 Ų6365.1 Ų65.125%0.24731%0.311CS..  trans-105.4164165.7-58.2-87.2000108.9Q4 K6 V22 A26 V27Q4-Y24 HydrophobicContact CB-CD1 4.26Å; K6-Y24 HydrophobicContact CD-CE1 4.46Å; K6-Y24 WeakPolarHBondContact CE-OH 3.37Å; K6-Y24 HydrophobicContact CG-CD1 4.13Å; K6-Y24 HydrophobicContact CG-CE1 3.48Å; K6-Y24 VanDerWaalsContact CG-CE1 3.48Å; V22-Y24 HydrophobicContact CB-CE2 4.01Å; V22-Y24 HydrophobicContact CG1-CD2 4.19Å; V22-Y24 HydrophobicContact CG1-CE1 4.31Å; V22-Y24 HydrophobicContact CG1-CE2 3.6Å; Y24-A26 PolarHBondContact O-N 3.14Å; Y24-A26 VanDerWaalsContact O-N 3.09Å; Y24-V27 PolarHBondContact N-O 3.3Å; Y24-V27 PolarHBondContact O-N 3.02Å
25P93.2Very high90.7Very high61 Ų6172.5 Ų72.540%0.39634%0.342SS..SBendtrans-52.9-34.7178.9-27.935.1000114.5I7I7-P25 HydrophobicContact CD1-CB 4.38Å; I7-P25 HydrophobicContact CD1-CG 4.04Å; I7-P25 HydrophobicContact CG1-CG 4.32Å
26A93.9Very high88.9Confident46 Ų4670 Ų7038%0.3835%0.347SS..SBendtrans-106.4-14.5-177.400000114.6Y24 K53 V54Y24-A26 PolarHBondContact O-N 3.14Å; Y24-A26 VanDerWaalsContact O-N 3.09Å; A26-K53 CarbonylContact O-C 3.45Å; A26-K53 WeakPolarHBondContact O-CA 3.38Å; A26-V54 PolarHBondContact O-N 3.38Å
27V96.6Very high87Confident42 Ų4266.8 Ų66.826%0.25535%0.345SS..EExtended strand (participates in β ladder)trans-144.8132-167.6-179.10000111.7Y24 A29 T51 V52Y24-V27 PolarHBondContact N-O 3.3Å; Y24-V27 PolarHBondContact O-N 3.02Å; V27-A29 HydrophobicContact CG1-CB 4.48Å; V27-T51 HydrophobicContact CG1-CG2 4.24Å; V27-V52 CarbonylContact C-O 3.5Å; V27-V52 WeakPolarHBondContact CA-O 3.48Å
28L97.4Very high84.9Confident1 Ų169.5 Ų69.51%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-93.2124.8160.8176.666.4000108.7V21 L23 W30 T51 V52 I57 V91 W120V21-L28 HydrophobicContact CG1-CD1 3.88Å; L23-L28 HydrophobicContact CB-CD1 4.47Å; L23-L28 HydrophobicContact CD1-CB 4.05Å; L23-L28 HydrophobicContact CD1-CD1 4.18Å; L28-W30 HydrophobicContact CD2-CZ3 4.41Å; L28-W30 HydrophobicContact CG-CE3 4.32Å; L28-W30 HydrophobicContact CG-CZ3 4.36Å; L28-T51 CarbonylContact O-C 3.58Å; L28-T51 WeakPolarHBondContact O-CA 3.4Å; L28-V52 PolarHBondContact N-O 3.18Å; L28-V52 PolarHBondContact O-N 3.37Å; L28-I57 HydrophobicContact CB-CD1 4.23Å; L28-I57 HydrophobicContact CD2-CD1 4.24Å; L28-V91 HydrophobicContact CD2-CB 4.32Å; L28-V91 HydrophobicContact CD2-CG1 3.92Å; L28-V91 HydrophobicContact CD2-CG2 4.07Å; L28-W120 HydrophobicContact CD1-CZ3 3.87Å
29A96.7Very high82.8Confident20 Ų2078 Ų7817%0.16539%0.391CS..EExtended strand (participates in β ladder)trans-126.5144.8-179.200000111.2V21 V22 V27 Q50 T51V21-A29 WeakPolarHBondContact CA-O 3.19Å; V22-A29 PolarHBondContact N-O 3.33Å; V22-A29 PolarHBondContact O-N 2.89Å; V27-A29 HydrophobicContact CG1-CB 4.48Å; A29-Q50 CarbonylContact C-O 3.56Å; A29-Q50 WeakPolarHBondContact CA-O 3.43Å; A29-T51 HydrophobicContact CB-CG2 3.91Å
30W95.5Very high80Confident10 Ų1083.2 Ų83.24%0.03843%0.428CS..EExtended strand (participates in β ladder)trans-144.7145170.364.698.5000112.2E20 V21 L28 Q50 V52 V107 F109E20-W30 WeakPolarHBondContact O-CA 2.78Å; V21-W30 HydrophobicContact CB-CB 4.4Å; V21-W30 HydrophobicContact CG1-CB 4.34Å; V21-W30 HydrophobicContact CG2-CB 3.93Å; L28-W30 HydrophobicContact CD2-CZ3 4.41Å; L28-W30 HydrophobicContact CG-CE3 4.32Å; L28-W30 HydrophobicContact CG-CZ3 4.36Å; W30-Q50 HydrophobicContact CD2-CB 3.87Å; W30-Q50 HydrophobicContact CE3-CB 4.41Å; W30-Q50 HydrophobicContact CG-CB 4.38Å; W30-Q50 HydrophobicContact CH2-CB 4.08Å; W30-Q50 HydrophobicContact CZ2-CB 3.48Å; W30-Q50 VanDerWaalsContact CZ2-CB 3.48Å; W30-Q50 HydrophobicContact CZ2-CG 4.3Å; W30-Q50 HydrophobicContact CZ3-CB 4.49Å; W30-Q50 PolarHBondContact N-O 2.85Å; W30-Q50 PolarHBondContact O-N 3Å; W30-V52 HydrophobicContact CH2-CG2 3.61Å; W30-V52 HydrophobicContact CZ3-CB 4.32Å; W30-V52 HydrophobicContact CZ3-CG2 3.75Å; W30-V107 HydrophobicContact CH2-CG1 4.15Å; W30-V107 HydrophobicContact CZ2-CB 4.34Å; W30-V107 HydrophobicContact CZ2-CG1 4.33Å; W30-V107 HydrophobicContact CZ2-CG2 4.23Å; W30-F109 HydrophobicContact CB-CE1 4.13Å; W30-F109 HydrophobicContact CB-CZ 4.24Å; W30-F109 HydrophobicContact CD2-CE1 4.38Å; W30-F109 AromaticContact CD2-CZ 3.91Å; W30-F109 HydrophobicContact CD2-CZ 3.91Å; W30-F109 HydrophobicContact CE3-CZ 4.15Å; W30-F109 AromaticContact CG-CE1 3.98Å; W30-F109 HydrophobicContact CG-CE1 3.98Å; W30-F109 AromaticContact CG-CZ 3.96Å; W30-F109 HydrophobicContact CG-CZ 3.96Å
31K94.5Very high77.3Confident114 Ų11486.3 Ų86.350%0.49646%0.455SS..EExtended strand (participates in β ladder)trans-141.7149.5177.262.1175.8177.6178.40111V19 E20V19-K31 CarbonylContact C-O 3.56Å; V19-K31 WeakPolarHBondContact CA-O 3.32Å; V19-K31 WeakPolarHBondContact CB-O 3.34Å; E20-K31 HydrophobicContact CB-CG 4.34Å; E20-K31 PolarHBondContact N-O 3.06Å; E20-K31 PolarHBondContact O-N 2.85Å; E20-K31 WeakPolarHBondContact OE2-CE 3.29Å; E20-K31 IonicContact OE2-NZ 2.63Å; E20-K31 PolarHBondContact OE2-NZ 3.16Å
32E92Very high74.4Confident97 Ų9789.6 Ų89.645%0.45349%0.489SS..EExtended strand (participates in β ladder)trans-68.4137.1175.8-171.5164.1-173.500110.8R17R17-E32 HydrophobicContact CB-CG 4.4Å; R17-E32 WeakPolarHBondContact CD-OE1 3.34Å; R17-E32 WeakPolarHBondContact CD-OE2 3.34Å; R17-E32 WeakPolarHBondContact CG-OE1 3.4Å; R17-E32 IonicContact CZ-OE2 3.86Å; R17-E32 IonicContact NE-OE1 3.69Å; R17-E32 IonicContact NE-OE2 3.91Å; R17-E32 IonicContact NH1-OE1 3.67Å; R17-E32 IonicContact NH1-OE2 2.99Å; R17-E32 PolarHBondContact NH1-OE2 3.41Å
33I88.9Confident71.2Confident53 Ų5395.5 Ų95.527%0.27253%0.525SS..  trans-89.4105.9174.8-55.2-179.4000107E11 K18 E20 K35E11-I33 HydrophobicContact CB-CD1 4.27Å; E11-I33 HydrophobicContact CG-CD1 3.79Å; E11-I33 WeakPolarHBondContact OE1-CD1 3.43Å; K18-I33 HydrophobicContact CD-CD1 4.21Å; K18-I33 HydrophobicContact CG-CD1 4.1Å; K18-I33 PolarHBondContact O-N 2.84Å; E20-I33 HydrophobicContact CB-CD1 4.08Å; E20-I33 HydrophobicContact CB-CG1 4.07Å; I33-K35 PolarHBondContact O-N 3.43Å
34E74.8Confident68.4Low164 Ų164101.6 Ų101.677%0.76657%0.568SS**  trans-58129.7177.7-69.4-167.6163.600111.2S36E34-S36 PolarHBondContact O-N 2.9Å
35K56.9Low65.5Low200 Ų200107 Ų10787%0.8760%0.595SS**  trans-72.1112.9166.6-75-177.1179.3176.80107.5I33 S37I33-K35 PolarHBondContact O-N 3.43Å; K35-S37 PolarHBondContact O-N 3.48Å
36S46.3Very low62.8Low128 Ų128107.7 Ų107.790%0.89560%0.602SS**  trans-53.498.7174.865.90000111.2E34E34-S36 PolarHBondContact O-N 2.9Å
37S41.1Very low60.3Low112 Ų112114.4 Ų114.478%0.78363%0.625SS**  trans-127.3108.7169.4172.50000108.1K35K35-S37 PolarHBondContact O-N 3.48Å
38K45.8Very low58.5Low206 Ų206118.8 Ų118.890%0.89664%0.643SS**  trans-14.7122.8176.4-70172.9175.4175.50117.3
39R47.6Very low57.5Low253 Ų253120.9 Ų120.996%0.95566%0.664SS**  trans0.4127.6157.3-79.8179.2168.9174.1-3.2118.2
40S35.6Very low57.3Low115 Ų115124.6 Ų124.680%0.80468%0.678SS**  -152.6130.4126.457.60000111.8
41S40Very low57.3Low119 Ų119128.9 Ų128.983%0.83271%0.705SS**  trans-5.8122.916654.10000120.1
42G35.6Very low57.4Low69 Ų69123.9 Ų123.971%0.71168%0.684SS**  87.183.3122.900000117.7
43T29.6Very low57.5Low132 Ų132124.8 Ų124.881%0.8169%0.687SS**  -176.2137.1120.322.30000107.9E45T43-E45 PolarHBondContact O-N 3.32Å
44S37.9Very low57.9Low128 Ų128122.4 Ų122.490%0.89568%0.675SS**  trans-6887-179.355.70000111.1
45E35Very low58.9Low177 Ų177116.7 Ų116.783%0.82765%0.652SS**  trans-90.2100.3161.7-75.7-172.916600108T43 E47T43-E45 PolarHBondContact O-N 3.32Å; E45-E47 PolarHBondContact O-N 3.38Å
46S36.3Very low60.7Low75 Ų75107.7 Ų107.752%0.52461%0.613SS.*  trans-14115.8167.654.60000118.3H48S46-H48 VanDerWaalsContact C-N 3.28Å; S46-H48 WeakPolarHBondContact CB-CE1 3.37Å; S46-H48 WeakPolarHBondContact CB-ND1 3.41Å; S46-H48 PolarHBondContact O-N 3.03Å; S46-H48 PolarHBondContact OG-CE1 3.47Å; S46-H48 PolarHBondContact OG-ND1 2.89Å
47E42.9Very low63.2Low187 Ų187101.6 Ų101.687%0.87457%0.571SS**  trans-66.972.5165.4-65177.4156.100111.3E45 G49E45-E47 PolarHBondContact O-N 3.38Å; E47-G49 PolarHBondContact O-N 3.31Å
48H57.3Low65.9Low135 Ų13596.3 Ų96.363%0.62553%0.534SS*.  trans-80.590.9-176.1-75.3114.7000112.8S46S46-H48 VanDerWaalsContact C-N 3.28Å; S46-H48 WeakPolarHBondContact CB-CE1 3.37Å; S46-H48 WeakPolarHBondContact CB-ND1 3.41Å; S46-H48 PolarHBondContact O-N 3.03Å; S46-H48 PolarHBondContact OG-CE1 3.47Å; S46-H48 PolarHBondContact OG-ND1 2.89Å
49G78Confident68.3Low44 Ų4487 Ų8745%0.45450%0.495SS..  trans-64.3137.1159.600000111.1E47E47-G49 PolarHBondContact O-N 3.31Å
50Q92.4Very high70.7Confident98 Ų9875.4 Ų75.446%0.45845%0.453SS..EExtended strand (participates in β ladder)trans-92.4142.6175.9-68.2-177.6-000109.9A29 W30A29-Q50 CarbonylContact C-O 3.56Å; A29-Q50 WeakPolarHBondContact CA-O 3.43Å; W30-Q50 HydrophobicContact CD2-CB 3.87Å; W30-Q50 HydrophobicContact CE3-CB 4.41Å; W30-Q50 HydrophobicContact CG-CB 4.38Å; W30-Q50 HydrophobicContact CH2-CB 4.08Å; W30-Q50 HydrophobicContact CZ2-CB 3.48Å; W30-Q50 VanDerWaalsContact CZ2-CB 3.48Å; W30-Q50 HydrophobicContact CZ2-CG 4.3Å; W30-Q50 HydrophobicContact CZ3-CB 4.49Å; W30-Q50 PolarHBondContact N-O 2.85Å; W30-Q50 PolarHBondContact O-N 3Å
51T94.6Very high73.4Confident100 Ų10071.6 Ų71.661%0.61342%0.422SS*.EExtended strand (participates in β ladder)trans-138.7148.2-179.863.90000111.4V27 L28 A29V27-T51 HydrophobicContact CG1-CG2 4.24Å; L28-T51 CarbonylContact O-C 3.58Å; L28-T51 WeakPolarHBondContact O-CA 3.4Å; A29-T51 HydrophobicContact CB-CG2 3.91Å
52V95.9Very high75.8Confident9 Ų968.7 Ų68.76%0.05539%0.394CS..EExtended strand (participates in β ladder)trans-136.5131.6175172.90000107.7V27 L28 W30 I57 Y93V27-V52 CarbonylContact C-O 3.5Å; V27-V52 WeakPolarHBondContact CA-O 3.48Å; L28-V52 PolarHBondContact N-O 3.18Å; L28-V52 PolarHBondContact O-N 3.37Å; W30-V52 HydrophobicContact CH2-CG2 3.61Å; W30-V52 HydrophobicContact CZ3-CB 4.32Å; W30-V52 HydrophobicContact CZ3-CG2 3.75Å; V52-I57 HydrophobicContact CG1-CG1 3.82Å; V52-Y93 HydrophobicContact CB-CD2 4.45Å; V52-Y93 HydrophobicContact CG1-CD2 4.03Å; V52-Y93 HydrophobicContact CG1-CG 3.93Å; V52-Y93 HydrophobicContact CG2-CD1 4.22Å; V52-Y93 HydrophobicContact CG2-CD2 3.48Å; V52-Y93 VanDerWaalsContact CG2-CD2 3.48Å; V52-Y93 HydrophobicContact CG2-CE1 4.37Å; V52-Y93 HydrophobicContact CG2-CE2 3.64Å; V52-Y93 HydrophobicContact CG2-CG 3.78Å
53K96.1Very high77.7Confident117 Ų11768 Ų6851%0.50938%0.377SS..EExtended strand (participates in β ladder)trans-68136.9172.7-67.1179.9179.7176.80109.5A26 C55 E56 I57A26-K53 CarbonylContact O-C 3.45Å; A26-K53 WeakPolarHBondContact O-CA 3.38Å; K53-C55 PolarHBondContact O-N 3.17Å; K53-E56 HydrophobicContact CB-CB 4.33Å; K53-E56 HydrophobicContact CB-CG 4.02Å; K53-E56 WeakPolarHBondContact O-CA 3.49Å; K53-E56 WeakPolarHBondContact O-CB 3.46Å; K53-E56 PolarHBondContact O-N 3.44Å; K53-I57 PolarHBondContact O-N 3.4Å
54V96.2Very high79.3Confident3 Ų367.7 Ų67.72%0.01837%0.366CS..G310 helixtrans-56.5-39178.4169.10000111L23 A26 E56 I57 Q127 L128 L131L23-V54 HydrophobicContact CD1-CG2 3.84Å; A26-V54 PolarHBondContact O-N 3.38Å; V54-E56 PolarHBondContact O-N 2.98Å; V54-I57 HydrophobicContact CG2-CD1 4.49Å; V54-I57 PolarHBondContact O-N 3.05Å; V54-I57 VanDerWaalsContact O-N 3.13Å; V54-Q127 HydrophobicContact CG1-CB 3.95Å; V54-L128 HydrophobicContact CG1-CD2 4.29Å; V54-L128 WeakPolarHBondContact O-CD2 3.41Å; V54-L131 HydrophobicContact CG1-CD1 4.49Å
55C95.3Very high80.1Confident43 Ų4366.1 Ų66.129%0.29135%0.347SS..G310 helixtrans-63.1-13.7175.861.60000114.8K53 L131 R134K53-C55 PolarHBondContact O-N 3.17Å; C55-L131 HydrophobicContact CB-CD1 4.3Å; C55-L131 HydrophobicContact CB-CD2 4.4Å; C55-R134 PolarHBondContact O-NH2 2.86Å
56E96Very high80.8Confident11 Ų1161.8 Ų61.85%0.05133%0.327CS..G310 helixtrans-105-0.6-180-61.3-175.6169.100113.3K53 V54 V58 Y93 V94 R96 R534K53-E56 HydrophobicContact CB-CB 4.33Å; K53-E56 HydrophobicContact CB-CG 4.02Å; K53-E56 WeakPolarHBondContact O-CA 3.49Å; K53-E56 WeakPolarHBondContact O-CB 3.46Å; K53-E56 PolarHBondContact O-N 3.44Å; V54-E56 PolarHBondContact O-N 2.98Å; E56-V58 PolarHBondContact O-N 3.47Å; E56-Y93 WeakPolarHBondContact O-CA 3.35Å; E56-V94 HydrophobicContact CB-CB 4.34Å; E56-V94 PolarHBondContact O-N 3.4Å; E56-R96 VanDerWaalsContact CD-NH2 3.3Å; E56-R96 IonicContact OE1-CZ 2.83Å; E56-R96 IonicContact OE1-NH1 2.75Å; E56-R96 PolarHBondContact OE1-NH1 3.13Å; E56-R96 IonicContact OE1-NH2 3.09Å; E56-R96 PolarHBondContact OE1-NH2 3.39Å; E56-R96 IonicContact OE2-CZ 3.39Å; E56-R96 IonicContact OE2-NH1 3.4Å; E56-R96 PolarHBondContact OE2-NH1 3.33Å; E56-R96 IonicContact OE2-NH2 3.25Å; E56-R96 PolarHBondContact OE2-NH2 2.88Å; E56-R534 IonicContact OE1-NH1 3.86Å; E56-R534 PolarHBondContact OE1-NH1 3.15Å
57I97.8Very high81Confident0 Ų062.3 Ų62.30%034%0.336CS..EExtended strand (participates in β ladder)trans-74.8111.5173.4-65.7174.4000108.9L28 V52 K53 V54 V91 S92 I124 L128 R134L28-I57 HydrophobicContact CB-CD1 4.23Å; L28-I57 HydrophobicContact CD2-CD1 4.24Å; V52-I57 HydrophobicContact CG1-CG1 3.82Å; K53-I57 PolarHBondContact O-N 3.4Å; V54-I57 HydrophobicContact CG2-CD1 4.49Å; V54-I57 PolarHBondContact O-N 3.05Å; V54-I57 VanDerWaalsContact O-N 3.13Å; I57-V91 HydrophobicContact CB-CG1 4.45Å; I57-V91 HydrophobicContact CD1-CG1 4.1Å; I57-V91 HydrophobicContact CG1-CG1 4.04Å; I57-V91 HydrophobicContact CG2-CG1 3.67Å; I57-S92 CarbonylContact C-O 3.52Å; I57-I124 HydrophobicContact CD1-CG2 4.27Å; I57-I124 HydrophobicContact CG2-CG2 4.31Å; I57-L128 HydrophobicContact CB-CD2 4.05Å; I57-L128 HydrophobicContact CG2-CD1 4Å; I57-L128 HydrophobicContact CG2-CD2 4.29Å; I57-R134 PolarHBondContact O-NH1 2.93Å; I57-R134 PolarHBondContact O-NH2 2.94Å
58V97.6Very high80.9Confident2 Ų261 Ų611%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-63-48.5177.5170.80000110.8E56 S92 V94 Q165 A166 L265 V268E56-V58 PolarHBondContact O-N 3.47Å; V58-S92 PolarHBondContact N-O 3.23Å; V58-V94 HydrophobicContact CG2-CG2 4.05Å; V58-Q165 HydrophobicContact CG1-CG 4.25Å; V58-A166 HydrophobicContact CG1-CB 4.18Å; V58-L265 HydrophobicContact CG2-CD2 3.69Å; V58-V268 HydrophobicContact CB-CG1 4.41Å; V58-V268 HydrophobicContact CG1-CG1 4.15Å; V58-V268 HydrophobicContact CG2-CG1 4.29Å
59A97.1Very high80.2Confident9 Ų957.8 Ų57.87%0.07433%0.332CS..EExtended strand (participates in β ladder)trans-163.5165.4-175.600000111.8S92 Q165A59-S92 PolarHBondContact N-O 3.43Å; A59-S92 PolarHBondContact O-N 3.45Å; A59-Q165 HydrophobicContact CB-CG 4.06Å; A59-Q165 WeakPolarHBondContact CB-O 3.34Å
60V96.9Very high78.3Confident11 Ų1161.9 Ų61.97%0.06734%0.339CS..EExtended strand (participates in β ladder)trans-134.7134.6167.262.30000109.3F89 T90 V91 V121 I124 N125V60-F89 HydrophobicContact CG2-CD2 4.1Å; V60-T90 WeakPolarHBondContact CA-O 3.44Å; V60-V91 HydrophobicContact CG2-CG2 4.07Å; V60-V121 HydrophobicContact CG1-CG1 4.36Å; V60-V121 HydrophobicContact CG2-CB 4.45Å; V60-V121 HydrophobicContact CG2-CG2 4.09Å; V60-I124 HydrophobicContact CB-CB 4.35Å; V60-I124 HydrophobicContact CB-CG2 3.86Å; V60-I124 HydrophobicContact CG1-CB 3.88Å; V60-I124 HydrophobicContact CG1-CG2 3.58Å; V60-I124 HydrophobicContact CG2-CB 4.49Å; V60-I124 HydrophobicContact CG2-CD1 4.17Å; V60-I124 HydrophobicContact CG2-CG2 4.44Å; V60-N125 HydrophobicContact CG1-CB 4.5Å; V60-N125 WeakPolarHBondContact CG1-ND2 3.3Å; V60-N125 WeakPolarHBondContact CG1-OD1 3.37Å
61H92.6Very high75.7Confident35 Ų3563.2 Ų63.216%0.16236%0.356CS..EExtended strand (participates in β ladder)trans-146.3157.8-179.957.2-87.7000111.5F89 T90H61-F89 CarbonylContact O-C 3.58Å; H61-F89 WeakPolarHBondContact O-CA 3.44Å; H61-T90 PolarHBondContact N-O 3.36Å; H61-T90 VanDerWaalsContact N-O 3.08Å; H61-T90 PolarHBondContact O-N 3.12Å
62K91Very high73.1Confident57 Ų5767.5 Ų67.525%0.24836%0.361CS..EExtended strand (participates in β ladder)trans-76.4144.8170.1-60.7-179.1-174.6178.20108.9E64 D65 E118 V121K62-E64 PolarHBondContact O-N 2.81Å; K62-D65 WeakPolarHBondContact O-CB 3.35Å; K62-D65 PolarHBondContact O-N 3.3Å; K62-D65 VanDerWaalsContact O-N 3.14Å; K62-E118 VanDerWaalsContact CE-CG 3.41Å; K62-E118 IonicContact NZ-OE1 3.93Å; K62-E118 PolarHBondContact NZ-OE1 3.2Å; K62-V121 HydrophobicContact CG-CG2 4.04Å
63T75.7Confident70.3Confident56 Ų5672.2 Ų72.234%0.34440%0.395SS..G310 helixtrans-66.6-21.5-177.5-49.70000113.2D65 A88T63-D65 VanDerWaalsContact C-N 3.3Å; T63-D65 PolarHBondContact O-N 3.09Å; T63-A88 PolarHBondContact N-O 2.87Å; T63-A88 VanDerWaalsContact OG1-CB 3.32Å; T63-A88 WeakPolarHBondContact OG1-CB 3.14Å; T63-A88 PolarHBondContact OG1-O 2.92Å
64E63.1Low67.4Low124 Ų12474.5 Ų74.558%0.57941%0.407SS*.G310 helixtrans-67.9-28.9175.1-66.9172.2-170.500112.3K62 E66 A67K62-E64 PolarHBondContact O-N 2.81Å; E64-E66 VanDerWaalsContact C-N 3.33Å; E64-E66 PolarHBondContact O-N 3.43Å; E64-A67 PolarHBondContact O-N 2.9Å
65D55.2Low64.4Low95 Ų9580.4 Ų80.451%0.50845%0.445SS..G310 helixtrans-73.4-19.9-178.2-57.9-33.5000113.1K62 T63 A67K62-D65 WeakPolarHBondContact O-CB 3.35Å; K62-D65 PolarHBondContact O-N 3.3Å; K62-D65 VanDerWaalsContact O-N 3.14Å; T63-D65 VanDerWaalsContact C-N 3.3Å; T63-D65 PolarHBondContact O-N 3.09Å; D65-A67 VanDerWaalsContact C-N 3.31Å; D65-A67 PolarHBondContact O-N 2.86Å
66E48.9Very low61.5Low86 Ų8687.6 Ų87.640%0.40247%0.471SS..G310 helixtrans-71.4-24.4175.8-89.2-146.1136.100112.7E64 R72E64-E66 VanDerWaalsContact C-N 3.33Å; E64-E66 PolarHBondContact O-N 3.43Å; E66-R72 IonicContact OE1-CZ 3.35Å; E66-R72 IonicContact OE1-NH1 3.17Å; E66-R72 IonicContact OE1-NH2 2.88Å; E66-R72 PolarHBondContact OE1-NH2 2.94Å; E66-R72 IonicContact OE2-NH1 3.57Å
67A40.9Very low58.5Low86 Ų8698.8 Ų98.871%0.71151%0.513SS*.SBendtrans-73.4-28.3-176.300000112.9E64 D65E64-A67 PolarHBondContact O-N 2.9Å; D65-A67 VanDerWaalsContact C-N 3.31Å; D65-A67 PolarHBondContact O-N 2.86Å
68D40.7Very low55.8Low161 Ų161105.9 Ų105.986%0.86155%0.55SS*.SBendtrans-93.4-6.8-177.4-84.3-24000113.9
69A42.9Very low53.1Low67 Ų67113 Ų11355%0.55459%0.588SS**SBendtrans-99.1-12.8-166.400000117.7
70Q38.7Very low50.5Low129 Ų129121.3 Ų121.360%0.60363%0.625SS**  trans177.6150.9166.4-106.7163.215.200114.7R72Q70-R72 PolarHBondContact O-N 2.82Å
71P37.4Very low48.1Very low126 Ų126125.3 Ų125.382%0.81865%0.651SS**  trans-79.8105.4174.531.5-29.8000111.2S73P71-S73 PolarHBondContact O-N 2.91Å
72R39.5Very low46.1Very low191 Ų191126.7 Ų126.772%0.72167%0.665SS**  trans-73.3122.5174-74.6-177.8174.3154.34111E66 Q70 H74E66-R72 IonicContact OE1-CZ 3.35Å; E66-R72 IonicContact OE1-NH1 3.17Å; E66-R72 IonicContact OE1-NH2 2.88Å; E66-R72 PolarHBondContact OE1-NH2 2.94Å; E66-R72 IonicContact OE2-NH1 3.57Å; Q70-R72 PolarHBondContact O-N 2.82Å; R72-H74 PolarHBondContact O-N 2.82Å
73S37.8Very low44.5Very low108 Ų108133.7 Ų133.776%0.75570%0.698SS**SBendtrans-72.3118.6163.462.20000109.4P71P71-S73 PolarHBondContact O-N 2.91Å
74H34.3Very low44Very low165 Ų165137.5 Ų137.576%0.76471%0.712SS**SBendtrans92.5104.7-173-56.5-59.3000114.8R72 K76R72-H74 PolarHBondContact O-N 2.82Å; H74-K76 PolarHBondContact O-N 2.9Å; H74-K76 VanDerWaalsContact O-N 3.09Å
75P32.5Very low44.7Very low127 Ų127133.8 Ų133.883%0.82569%0.693SS**  trans-71.810717229-29.4000108.5R77P75-R77 PolarHBondContact O-N 2.86Å
76K34.9Very low46.1Very low193 Ų193133.3 Ų133.384%0.83970%0.695SS**  trans-62.5122.8154.3-78.2-177179175.90105.8H74 I78H74-K76 PolarHBondContact O-N 2.9Å; H74-K76 VanDerWaalsContact O-N 3.09Å; K76-I78 VanDerWaalsContact C-N 3.34Å; K76-I78 PolarHBondContact O-N 2.92Å
77R32.9Very low48.1Very low246 Ų246131.1 Ų131.193%0.92869%0.685SS**  trans-54.599.3170.9-90.4179.5164.8176.3-4.8108.3P75 N79P75-R77 PolarHBondContact O-N 2.86Å; R77-N79 PolarHBondContact O-N 3.06Å
78I41.1Very low50.6Low150 Ų150127.5 Ų127.577%0.76966%0.655SS**  trans-71.5111.3164.7-63.3171.5000104.5K76 Q80K76-I78 VanDerWaalsContact C-N 3.34Å; K76-I78 PolarHBondContact O-N 2.92Å; I78-Q80 PolarHBondContact O-N 2.78Å
79N41.8Very low53.2Low151 Ų151119.9 Ų119.981%0.80761%0.614SS**PPolyproline II helixtrans-54.3123.9165.8-84.9-16.4000106.9R77R77-N79 PolarHBondContact O-N 3.06Å
80Q41.2Very low55.8Low184 Ų184117 Ų11786%0.8659%0.59SS**PPolyproline II helixtrans-46.5132.2179.7-71.7177.1-2.600110.2I78 S82I78-Q80 PolarHBondContact O-N 2.78Å; Q80-S82 PolarHBondContact O-N 2.92Å
81P46.4Very low58.6Low95 Ų95110.9 Ų110.962%0.61756%0.562SS**PPolyproline II helixtrans-59.7133.4174.623.6-30000108.4Q83P81-Q83 PolarHBondContact O-N 2.85Å; P81-Q83 VanDerWaalsContact O-N 3.17Å
82S50.5Low61.5Low64 Ų64104.9 Ų104.945%0.44852%0.523SS..PPolyproline II helixtrans-52.8123.7167.447.60000108.1Q80 Q84 Y85Q80-S82 PolarHBondContact O-N 2.92Å; S82-Q84 PolarHBondContact O-N 3.49Å; S82-Y85 PolarHBondContact O-N 2.92Å
83Q57.4Low64.2Low203 Ų20397.6 Ų97.695%0.94950%0.495SS*.THydrogen-bonded Turntrans-48.6-7.7179.7-96.5173.4-21.100115.8P81P81-Q83 PolarHBondContact O-N 2.85Å; P81-Q83 VanDerWaalsContact O-N 3.17Å
84Q66.7Low67Low137 Ų13792.7 Ų92.764%0.6446%0.461SS*.THydrogen-bonded Turntrans-86.3-20-173.4-159.7168.516.200114.7S82S82-Q84 PolarHBondContact O-N 3.49Å
85Y77.8Confident69.9Low45 Ų4590.6 Ų90.618%0.17645%0.446CS..  trans-139.385.7-178.3-51.8-70.1000110.6F13 S82 A112F13-Y85 HydrophobicContact CD1-CE2 4.14Å; F13-Y85 AromaticContact CD2-CD1 3.96Å; F13-Y85 HydrophobicContact CD2-CD1 3.96Å; F13-Y85 HydrophobicContact CD2-CD2 4.25Å; F13-Y85 AromaticContact CD2-CE1 3.7Å; F13-Y85 HydrophobicContact CD2-CE1 3.7Å; F13-Y85 HydrophobicContact CD2-CE2 4.01Å; F13-Y85 HydrophobicContact CD2-CG 4.24Å; F13-Y85 AromaticContact CD2-CZ 3.73Å; F13-Y85 HydrophobicContact CE1-CE2 4.13Å; F13-Y85 AromaticContact CE1-CZ 3.98Å; F13-Y85 HydrophobicContact CE2-CD1 4.08Å; F13-Y85 AromaticContact CE2-CE1 3.35Å; F13-Y85 HydrophobicContact CE2-CE1 3.35Å; F13-Y85 HydrophobicContact CE2-CE2 4.01Å; F13-Y85 AromaticContact CE2-CZ 3.31Å; F13-Y85 WeakPolarHBondContact CE2-OH 3.33Å; F13-Y85 HydrophobicContact CG-CD2 4.29Å; F13-Y85 HydrophobicContact CG-CE2 4.08Å; F13-Y85 AromaticContact CZ-CE1 3.98Å; F13-Y85 HydrophobicContact CZ-CE1 3.98Å; F13-Y85 HydrophobicContact CZ-CE2 4.06Å; F13-Y85 AromaticContact CZ-CZ 3.45Å; F13-Y85 VanDerWaalsContact CZ-CZ 3.45Å; F13-Y85 WeakPolarHBondContact CZ-OH 3.21Å; S82-Y85 PolarHBondContact O-N 2.92Å; Y85-A112 HydrophobicContact CD1-CB 4.11Å; Y85-A112 HydrophobicContact CE1-CB 4.5Å
86P83.3Confident72.8Confident85 Ų8588.6 Ų88.655%0.55242%0.422SS*.  trans-75.8-22.7-170.128.8-33.4000113.7
87H90.8Very high75.4Confident40 Ų4081.6 Ų81.619%0.18540%0.396CS..EExtended strand (participates in β ladder)trans-100.7143.5-175.6-54.4-64.1000111.6H110 C111 Q114 C117H87-H110 WeakPolarHBondContact O-CA 3.41Å; H87-C111 PolarHBondContact N-O 3.05Å; H87-C111 PolarHBondContact O-N 3.39Å; H87-Q114 PolarHBondContact CD2-N 2.87Å; H87-C117 HydrophobicContact CB-CB 4.37Å
88A93.8Very high78.1Confident11 Ų1178.1 Ų78.19%0.09138%0.383CS..EExtended strand (participates in β ladder)trans-152.9150177.400000112.7T63 T108 F109 C117T63-A88 PolarHBondContact N-O 2.87Å; T63-A88 VanDerWaalsContact OG1-CB 3.32Å; T63-A88 WeakPolarHBondContact OG1-CB 3.14Å; T63-A88 PolarHBondContact OG1-O 2.92Å; A88-T108 HydrophobicContact CB-CG2 3.9Å; A88-F109 WeakPolarHBondContact CA-O 3.48Å; A88-F109 WeakPolarHBondContact CB-O 3.47Å; A88-C117 PolarHBondContact O-SG 3.17Å; A88-C117 VanDerWaalsContact O-SG 3.39Å
89F95.8Very high80.3Confident0 Ų077.5 Ų77.50%038%0.377CS..EExtended strand (participates in β ladder)trans-125.4149.416766.2-83.7000110.1L12 V60 H61 V91 T108 F109 W120 V121 I124L12-F89 HydrophobicContact CD1-CE1 3.71Å; L12-F89 HydrophobicContact CD1-CZ 3.69Å; V60-F89 HydrophobicContact CG2-CD2 4.1Å; H61-F89 CarbonylContact O-C 3.58Å; H61-F89 WeakPolarHBondContact O-CA 3.44Å; F89-V91 HydrophobicContact CD2-CG2 3.97Å; F89-V91 HydrophobicContact CE2-CG2 3.85Å; F89-T108 WeakPolarHBondContact O-CA 3.11Å; F89-F109 HydrophobicContact CD1-CB 4.3Å; F89-F109 HydrophobicContact CD2-CD2 4.27Å; F89-F109 HydrophobicContact CE1-CB 3.75Å; F89-F109 HydrophobicContact CE1-CD2 4.46Å; F89-F109 HydrophobicContact CE2-CB 4.27Å; F89-F109 AromaticContact CE2-CD2 3.5Å; F89-F109 HydrophobicContact CE2-CD2 3.5Å; F89-F109 HydrophobicContact CE2-CE2 4.29Å; F89-F109 HydrophobicContact CE2-CG 4.3Å; F89-F109 HydrophobicContact CZ-CB 3.72Å; F89-F109 AromaticContact CZ-CD2 3.61Å; F89-F109 HydrophobicContact CZ-CD2 3.61Å; F89-F109 AromaticContact CZ-CG 4Å; F89-F109 HydrophobicContact CZ-CG 4Å; F89-F109 PolarHBondContact N-O 3.07Å; F89-F109 VanDerWaalsContact N-O 3.07Å; F89-F109 PolarHBondContact O-N 2.93Å; F89-W120 HydrophobicContact CD1-CB 4.11Å; F89-W120 HydrophobicContact CD2-CB 4.39Å; F89-W120 HydrophobicContact CE1-CB 3.62Å; F89-W120 HydrophobicContact CE1-CD2 4.5Å; F89-W120 AromaticContact CE1-CG 3.76Å; F89-W120 HydrophobicContact CE1-CG 3.76Å; F89-W120 HydrophobicContact CE2-CB 3.93Å; F89-W120 HydrophobicContact CE2-CG 4.34Å; F89-W120 HydrophobicContact CG-CB 4.47Å; F89-W120 HydrophobicContact CZ-CB 3.52Å; F89-W120 AromaticContact CZ-CD2 3.89Å; F89-W120 HydrophobicContact CZ-CD2 3.89Å; F89-W120 HydrophobicContact CZ-CE3 4.22Å; F89-W120 AromaticContact CZ-CG 3.56Å; F89-W120 HydrophobicContact CZ-CG 3.56Å; F89-V121 HydrophobicContact CB-CG2 3.61Å; F89-V121 HydrophobicContact CG-CG2 4.27Å; F89-I124 HydrophobicContact CE2-CD1 4.33Å
90T96.4Very high82.6Confident8 Ų872.4 Ų72.45%0.04935%0.348CS..EExtended strand (participates in β ladder)trans-115.2128.5178.3-62.60000109.3V60 H61 D106 V107 T108V60-T90 WeakPolarHBondContact CA-O 3.44Å; H61-T90 PolarHBondContact N-O 3.36Å; H61-T90 VanDerWaalsContact N-O 3.08Å; H61-T90 PolarHBondContact O-N 3.12Å; T90-D106 HydrophobicContact CG2-CB 3.76Å; T90-V107 WeakPolarHBondContact CA-O 3.39Å; T90-T108 PolarHBondContact OG1-OG1 3.4Å
91V97.6Very high85.1Confident0 Ų065.1 Ų65.10%032%0.315CS..EExtended strand (participates in β ladder)trans-100.8117.9168.8-175.20000107.9L28 I57 V60 F89 D106 V107 F109 I124L28-V91 HydrophobicContact CD2-CB 4.32Å; L28-V91 HydrophobicContact CD2-CG1 3.92Å; L28-V91 HydrophobicContact CD2-CG2 4.07Å; I57-V91 HydrophobicContact CB-CG1 4.45Å; I57-V91 HydrophobicContact CD1-CG1 4.1Å; I57-V91 HydrophobicContact CG1-CG1 4.04Å; I57-V91 HydrophobicContact CG2-CG1 3.67Å; V60-V91 HydrophobicContact CG2-CG2 4.07Å; F89-V91 HydrophobicContact CD2-CG2 3.97Å; F89-V91 HydrophobicContact CE2-CG2 3.85Å; V91-D106 WeakPolarHBondContact O-CA 3.36Å; V91-V107 HydrophobicContact CB-CG1 3.92Å; V91-V107 PolarHBondContact N-O 2.67Å; V91-V107 PolarHBondContact O-N 3.5Å; V91-F109 HydrophobicContact CG2-CE2 4.34Å; V91-I124 HydrophobicContact CG2-CD1 3.81Å
92S98Very high87.5Confident0 Ų060.8 Ų60.80%029%0.286CS..EExtended strand (participates in β ladder)trans-96132.4174.3-61.80000109.1I57 V58 A59 A105 D106 Q165I57-S92 CarbonylContact C-O 3.52Å; V58-S92 PolarHBondContact N-O 3.23Å; A59-S92 PolarHBondContact N-O 3.43Å; A59-S92 PolarHBondContact O-N 3.45Å; S92-A105 CarbonylContact C-O 3.57Å; S92-A105 WeakPolarHBondContact CA-O 3.36Å; S92-D106 WeakPolarHBondContact CA-OD1 3.16Å; S92-D106 VanDerWaalsContact CB-OD1 3.25Å; S92-D106 WeakPolarHBondContact CB-OD1 3.33Å; S92-D106 PolarHBondContact OG-OD1 3.13Å; S92-Q165 PolarHBondContact OG-NE2 2.93Å
93Y97.6Very high89.7Confident38 Ų3861.2 Ų61.215%0.14928%0.278CS..EExtended strand (participates in β ladder)trans-146.2161.1-173.963.7-83.5000112.6V52 E56 R95 A105 V107V52-Y93 HydrophobicContact CB-CD2 4.45Å; V52-Y93 HydrophobicContact CG1-CD2 4.03Å; V52-Y93 HydrophobicContact CG1-CG 3.93Å; V52-Y93 HydrophobicContact CG2-CD1 4.22Å; V52-Y93 HydrophobicContact CG2-CD2 3.48Å; V52-Y93 VanDerWaalsContact CG2-CD2 3.48Å; V52-Y93 HydrophobicContact CG2-CE1 4.37Å; V52-Y93 HydrophobicContact CG2-CE2 3.64Å; V52-Y93 HydrophobicContact CG2-CG 3.78Å; E56-Y93 WeakPolarHBondContact O-CA 3.35Å; Y93-R95 PolarHBondContact O-N 3.43Å; Y93-A105 WeakPolarHBondContact CD1-O 3.02Å; Y93-A105 HydrophobicContact CD2-CB 4.48Å; Y93-A105 HydrophobicContact CE1-CB 4.13Å; Y93-A105 HydrophobicContact CE2-CB 4.03Å; Y93-A105 PolarHBondContact N-O 3.41Å; Y93-A105 PolarHBondContact O-N 3.42Å; Y93-V107 HydrophobicContact CD1-CG1 4.28Å; Y93-V107 HydrophobicContact CE1-CB 4.18Å; Y93-V107 HydrophobicContact CE1-CG1 3.88Å
94V97Very high91.5Very high5 Ų553.6 Ų53.63%0.0325%0.246CC..EExtended strand (participates in β ladder)trans-73125.5176.7176.80000110.2E56 V58 W102 L265 V269E56-V94 HydrophobicContact CB-CB 4.34Å; E56-V94 PolarHBondContact O-N 3.4Å; V58-V94 HydrophobicContact CG2-CG2 4.05Å; V94-W102 HydrophobicContact CB-CE3 4.48Å; V94-W102 HydrophobicContact CG1-CB 4.11Å; V94-W102 HydrophobicContact CG1-CD2 3.56Å; V94-W102 HydrophobicContact CG1-CE3 3.39Å; V94-W102 HydrophobicContact CG1-CG 3.92Å; V94-W102 HydrophobicContact CG1-CZ3 3.95Å; V94-W102 HydrophobicContact CG2-CE3 4.27Å; V94-W102 HydrophobicContact CG2-CZ3 4.46Å; V94-L265 HydrophobicContact CG2-CB 4.29Å; V94-L265 HydrophobicContact CG2-CD2 4.24Å; V94-V269 HydrophobicContact CG2-CG1 3.67Å
95R94.8Very high92.8Very high120 Ų12047.7 Ų47.745%0.45322%0.221SC..EExtended strand (participates in β ladder)trans-117.6127.4170.8-175.2177.863.386.83.1110.3Y93 R103 A105Y93-R95 PolarHBondContact O-N 3.43Å; R95-R103 PolarHBondContact N-O 2.91Å; R95-R103 PolarHBondContact O-N 3.05Å; R95-A105 HydrophobicContact CB-CB 3.74Å; R95-A105 HydrophobicContact CG-CB 4.49Å
96R92.6Very high93.7Very high85 Ų8550 Ų5032%0.32124%0.236SC..EExtended strand (participates in β ladder)trans-77.1144.8174.9-68.5149-175.993.99.8110.9E56 E537E56-R96 VanDerWaalsContact CD-NH2 3.3Å; E56-R96 IonicContact OE1-CZ 2.83Å; E56-R96 IonicContact OE1-NH1 2.75Å; E56-R96 PolarHBondContact OE1-NH1 3.13Å; E56-R96 IonicContact OE1-NH2 3.09Å; E56-R96 PolarHBondContact OE1-NH2 3.39Å; E56-R96 IonicContact OE2-CZ 3.39Å; E56-R96 IonicContact OE2-NH1 3.4Å; E56-R96 PolarHBondContact OE2-NH1 3.33Å; E56-R96 IonicContact OE2-NH2 3.25Å; E56-R96 PolarHBondContact OE2-NH2 2.88Å; R96-E537 IonicContact CZ-OE1 3.56Å; R96-E537 IonicContact NE-OE1 3.45Å; R96-E537 PolarHBondContact NE-OE1 3.39Å; R96-E537 IonicContact NE-OE2 3.18Å; R96-E537 PolarHBondContact NE-OE2 3.12Å; R96-E537 IonicContact NH2-OE1 2.89Å; R96-E537 PolarHBondContact NH2-OE1 2.9Å
97T90.9Very high94.2Very high47 Ų4746 Ų4629%0.28821%0.211SC..  trans-135.4177.6174.962.50000109.5L101 R103T97-L101 PolarHBondContact N-O 3.3Å; T97-L101 WeakPolarHBondContact OG1-CB 3.44Å; T97-L101 PolarHBondContact OG1-O 2.84Å; T97-R103 HydrophobicContact CG2-CG 4.17Å
98R88.9Confident94.5Very high172 Ų17246.2 Ų46.265%0.64922%0.215SC*.SBendtrans-58.5158.6-179.2-63.4-176.7179.8170.40.5111.4H100 L101 A542R98-H100 VanDerWaalsContact C-N 3.31Å; R98-H100 PolarHBondContact O-N 3.42Å; R98-L101 WeakPolarHBondContact O-CB 3.34Å; R98-L101 PolarHBondContact O-N 3.07Å; R98-A542 HydrophobicContact CG-CB 4.33Å
99Q86.5Confident94.5Very high138 Ų13845.7 Ų45.765%0.64521%0.21SC*.THydrogen-bonded Turntrans59.138.5175.7-55174.5-20.700113.6L101Q99-L101 PolarHBondContact O-N 2.83Å; Q99-L101 VanDerWaalsContact O-N 3.1Å
100H90.3Very high94.5Very high43 Ų4347.9 Ų47.920%0.19922%0.221CC..THydrogen-bonded Turntrans61.418177.1-42.7-74.1000114.3R98 E537 Q539R98-H100 VanDerWaalsContact C-N 3.31Å; R98-H100 PolarHBondContact O-N 3.42Å; H100-E537 PolarHBondContact CE1-O 2.98Å; H100-E537 PolarHBondContact ND1-O 2.92Å; H100-Q539 PolarHBondContact NE2-NE2 3.06Å
101L94.6Very high94.1Very high32 Ų3247.8 Ų47.817%0.16822%0.22CC..  trans-83.5132.7-178.4-71.3174.2000111.5T97 R98 Q99 T257 D259T97-L101 PolarHBondContact N-O 3.3Å; T97-L101 WeakPolarHBondContact OG1-CB 3.44Å; T97-L101 PolarHBondContact OG1-O 2.84Å; R98-L101 WeakPolarHBondContact O-CB 3.34Å; R98-L101 PolarHBondContact O-N 3.07Å; Q99-L101 PolarHBondContact O-N 2.83Å; Q99-L101 VanDerWaalsContact O-N 3.1Å; L101-T257 HydrophobicContact CD2-CG2 4.25Å; L101-T257 WeakPolarHBondContact CD2-OG1 3.32Å; L101-D259 HydrophobicContact CD2-CB 3.32Å
102W95.9Very high93.6Very high4 Ų451.1 Ų51.12%0.01525%0.248CC..EExtended strand (participates in β ladder)trans-105.6143.3172.2-68.913000111V94 T262 L265 H266 V269 D271 E537V94-W102 HydrophobicContact CB-CE3 4.48Å; V94-W102 HydrophobicContact CG1-CB 4.11Å; V94-W102 HydrophobicContact CG1-CD2 3.56Å; V94-W102 HydrophobicContact CG1-CE3 3.39Å; V94-W102 HydrophobicContact CG1-CG 3.92Å; V94-W102 HydrophobicContact CG1-CZ3 3.95Å; V94-W102 HydrophobicContact CG2-CE3 4.27Å; V94-W102 HydrophobicContact CG2-CZ3 4.46Å; W102-T262 HydrophobicContact CB-CG2 3.94Å; W102-T262 HydrophobicContact CG-CG2 4.02Å; W102-T262 PolarHBondContact N-OG1 2.77Å; W102-T262 PolarHBondContact O-OG1 2.79Å; W102-L265 HydrophobicContact CB-CD1 3.82Å; W102-L265 HydrophobicContact CE3-CB 3.89Å; W102-H266 AromaticContact CE2-CE1 3.67Å; W102-H266 AromaticContact CE2-NE2 3.97Å; W102-H266 AromaticContact CE3-CE1 3.97Å; W102-H266 AromaticContact CH2-CE1 3.2Å; W102-H266 WeakPolarHBondContact CH2-CE1 3.29Å; W102-H266 AromaticContact CH2-ND1 3.28Å; W102-H266 VanDerWaalsContact CH2-ND1 3.28Å; W102-H266 WeakPolarHBondContact CH2-ND1 3.49Å; W102-H266 AromaticContact CZ2-CE1 3.26Å; W102-H266 WeakPolarHBondContact CZ2-CE1 3.44Å; W102-H266 AromaticContact CZ2-ND1 3.85Å; W102-H266 AromaticContact CZ3-CE1 3.58Å; W102-H266 AromaticContact CZ3-CG 3.93Å; W102-H266 AromaticContact CZ3-ND1 3.38Å; W102-H266 WeakPolarHBondContact CZ3-ND1 3.41Å; W102-V269 HydrophobicContact CH2-CG2 4.45Å; W102-V269 HydrophobicContact CZ3-CG2 4.01Å; W102-D271 WeakPolarHBondContact CH2-OD2 3.49Å; W102-E537 PolarHBondContact NE1-OE2 2.98Å
103R96.4Very high93.2Very high73 Ų7354.4 Ų54.428%0.27527%0.265SS..EExtended strand (participates in β ladder)trans-134.2150.4177.4-62.3-67.2174.1-112.514.2109.7R95 T97 D259R95-R103 PolarHBondContact N-O 2.91Å; R95-R103 PolarHBondContact O-N 3.05Å; T97-R103 HydrophobicContact CG2-CG 4.17Å; R103-D259 IonicContact CZ-OD1 3.93Å; R103-D259 IonicContact CZ-OD2 2.73Å; R103-D259 VanDerWaalsContact NH1-CG 3.29Å; R103-D259 IonicContact NH1-OD1 2.65Å; R103-D259 PolarHBondContact NH1-OD1 3.13Å; R103-D259 IonicContact NH1-OD2 3.8Å; R103-D259 PolarHBondContact NH1-OD2 3.14Å; R103-D259 IonicContact NH2-OD1 3.68Å; R103-D259 PolarHBondContact NH2-OD1 2.63Å; R103-D259 IonicContact NH2-OD2 3.12Å
104C95.4Very high92.9Very high42 Ų4257 Ų5728%0.28428%0.279SS..EExtended strand (participates in β ladder)trans-72.4130.4165.6-162.20000108.7
105A95Very high92.7Very high14 Ų1463.6 Ų63.612%0.11631%0.309CS..EExtended strand (participates in β ladder)trans-122.5151.3170.500000108.9S92 Y93 R95S92-A105 CarbonylContact C-O 3.57Å; S92-A105 WeakPolarHBondContact CA-O 3.36Å; Y93-A105 WeakPolarHBondContact CD1-O 3.02Å; Y93-A105 HydrophobicContact CD2-CB 4.48Å; Y93-A105 HydrophobicContact CE1-CB 4.13Å; Y93-A105 HydrophobicContact CE2-CB 4.03Å; Y93-A105 PolarHBondContact N-O 3.41Å; Y93-A105 PolarHBondContact O-N 3.42Å; R95-A105 HydrophobicContact CB-CB 3.74Å; R95-A105 HydrophobicContact CG-CB 4.49Å
106D95.4Very high92.6Very high92 Ų9260.3 Ų60.349%0.49230%0.3SS..EExtended strand (participates in β ladder)trans-121.7139.5-176.8-60.6-38.9000110.1T90 V91 S92T90-D106 HydrophobicContact CG2-CB 3.76Å; V91-D106 WeakPolarHBondContact O-CA 3.36Å; S92-D106 WeakPolarHBondContact CA-OD1 3.16Å; S92-D106 VanDerWaalsContact CB-OD1 3.25Å; S92-D106 WeakPolarHBondContact CB-OD1 3.33Å; S92-D106 PolarHBondContact OG-OD1 3.13Å
107V95.1Very high92.6Very high3 Ų356.5 Ų56.52%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-122.7122.9164.258.10000109.2Q14 W30 T90 V91 Y93 F109Q14-V107 HydrophobicContact CG-CG2 4.28Å; Q14-V107 VanDerWaalsContact NE2-CG2 3.29Å; W30-V107 HydrophobicContact CH2-CG1 4.15Å; W30-V107 HydrophobicContact CZ2-CB 4.34Å; W30-V107 HydrophobicContact CZ2-CG1 4.33Å; W30-V107 HydrophobicContact CZ2-CG2 4.23Å; T90-V107 WeakPolarHBondContact CA-O 3.39Å; V91-V107 HydrophobicContact CB-CG1 3.92Å; V91-V107 PolarHBondContact N-O 2.67Å; V91-V107 PolarHBondContact O-N 3.5Å; Y93-V107 HydrophobicContact CD1-CG1 4.28Å; Y93-V107 HydrophobicContact CE1-CB 4.18Å; Y93-V107 HydrophobicContact CE1-CG1 3.88Å; V107-F109 HydrophobicContact CB-CE2 4.38Å; V107-F109 HydrophobicContact CB-CZ 4.39Å; V107-F109 HydrophobicContact CG1-CE2 3.74Å; V107-F109 HydrophobicContact CG1-CZ 4Å; V107-F109 HydrophobicContact CG2-CD1 4.41Å; V107-F109 HydrophobicContact CG2-CD2 4.36Å; V107-F109 HydrophobicContact CG2-CE1 3.79Å; V107-F109 HydrophobicContact CG2-CE2 3.76Å; V107-F109 HydrophobicContact CG2-CZ 3.44Å; V107-F109 VanDerWaalsContact CG2-CZ 3.44Å
108T96Very high92.8Very high43 Ų4357.5 Ų57.526%0.26429%0.288SS..EExtended strand (participates in β ladder)trans-104.6127.8177.8-530000109.7A88 F89 T90A88-T108 HydrophobicContact CB-CG2 3.9Å; F89-T108 WeakPolarHBondContact O-CA 3.11Å; T90-T108 PolarHBondContact OG1-OG1 3.4Å
109F95.4Very high93.1Very high0 Ų054.1 Ų54.10%028%0.279CS..EExtended strand (participates in β ladder)trans-111.1130.4175.2-58.6-75.1000109.7L12 F13 V19 V21 W30 A88 F89 V91 V107L12-F109 HydrophobicContact CB-CB 4.2Å; L12-F109 HydrophobicContact CB-CD1 4.44Å; L12-F109 HydrophobicContact CD1-CB 3.78Å; L12-F109 HydrophobicContact CD1-CD1 4.46Å; L12-F109 HydrophobicContact CD1-CG 4.12Å; F13-F109 CarbonylContact O-C 3.56Å; F13-F109 WeakPolarHBondContact O-CA 3.38Å; V19-F109 HydrophobicContact CG2-CD1 4.09Å; V19-F109 HydrophobicContact CG2-CE1 4.16Å; V21-F109 HydrophobicContact CG1-CE1 4.33Å; V21-F109 HydrophobicContact CG1-CE2 4.35Å; V21-F109 HydrophobicContact CG1-CZ 4.08Å; V21-F109 HydrophobicContact CG2-CD1 3.7Å; V21-F109 HydrophobicContact CG2-CE1 3.52Å; V21-F109 HydrophobicContact CG2-CG 4.42Å; V21-F109 HydrophobicContact CG2-CZ 4.11Å; W30-F109 HydrophobicContact CB-CE1 4.13Å; W30-F109 HydrophobicContact CB-CZ 4.24Å; W30-F109 HydrophobicContact CD2-CE1 4.38Å; W30-F109 AromaticContact CD2-CZ 3.91Å; W30-F109 HydrophobicContact CD2-CZ 3.91Å; W30-F109 HydrophobicContact CE3-CZ 4.15Å; W30-F109 AromaticContact CG-CE1 3.98Å; W30-F109 HydrophobicContact CG-CE1 3.98Å; W30-F109 AromaticContact CG-CZ 3.96Å; W30-F109 HydrophobicContact CG-CZ 3.96Å; A88-F109 WeakPolarHBondContact CA-O 3.48Å; A88-F109 WeakPolarHBondContact CB-O 3.47Å; F89-F109 HydrophobicContact CD1-CB 4.3Å; F89-F109 HydrophobicContact CD2-CD2 4.27Å; F89-F109 HydrophobicContact CE1-CB 3.75Å; F89-F109 HydrophobicContact CE1-CD2 4.46Å; F89-F109 HydrophobicContact CE2-CB 4.27Å; F89-F109 AromaticContact CE2-CD2 3.5Å; F89-F109 HydrophobicContact CE2-CD2 3.5Å; F89-F109 HydrophobicContact CE2-CE2 4.29Å; F89-F109 HydrophobicContact CE2-CG 4.3Å; F89-F109 HydrophobicContact CZ-CB 3.72Å; F89-F109 AromaticContact CZ-CD2 3.61Å; F89-F109 HydrophobicContact CZ-CD2 3.61Å; F89-F109 AromaticContact CZ-CG 4Å; F89-F109 HydrophobicContact CZ-CG 4Å; F89-F109 PolarHBondContact N-O 3.07Å; F89-F109 VanDerWaalsContact N-O 3.07Å; F89-F109 PolarHBondContact O-N 2.93Å; V91-F109 HydrophobicContact CG2-CE2 4.34Å; V107-F109 HydrophobicContact CB-CE2 4.38Å; V107-F109 HydrophobicContact CB-CZ 4.39Å; V107-F109 HydrophobicContact CG1-CE2 3.74Å; V107-F109 HydrophobicContact CG1-CZ 4Å; V107-F109 HydrophobicContact CG2-CD1 4.41Å; V107-F109 HydrophobicContact CG2-CD2 4.36Å; V107-F109 HydrophobicContact CG2-CE1 3.79Å; V107-F109 HydrophobicContact CG2-CE2 3.76Å; V107-F109 HydrophobicContact CG2-CZ 3.44Å; V107-F109 VanDerWaalsContact CG2-CZ 3.44Å
110H93.8Very high93.6Very high47 Ų4747.6 Ų47.622%0.21825%0.249CC..EExtended strand (participates in β ladder)trans-104144179-62.9-97.9000110.5F13 H87F13-H110 HydrophobicContact CB-CB 4.13Å; F13-H110 PolarHBondContact N-O 2.85Å; F13-H110 PolarHBondContact O-N 2.83Å; H87-H110 WeakPolarHBondContact O-CA 3.41Å
111C90Very high93.9Very high6 Ų646.4 Ų46.44%0.04124%0.244CC..EExtended strand (participates in β ladder)trans-142.1160.2176.256.90000111.5L12 H87 D113 I116L12-C111 HydrophobicContact CD2-CB 3.9Å; H87-C111 PolarHBondContact N-O 3.05Å; H87-C111 PolarHBondContact O-N 3.39Å; C111-D113 PolarHBondContact SG-O 3.23Å; C111-I116 HydrophobicContact CB-CG2 4.48Å
112A86.6Confident94Very high70 Ų7050.2 Ų50.258%0.57926%0.262SS*.SBendtrans-80.5-25175.400000112.4Y85Y85-A112 HydrophobicContact CD1-CB 4.11Å; Y85-A112 HydrophobicContact CE1-CB 4.5Å
113D89.6Confident94.1Very high69 Ų6950.8 Ų50.837%0.36927%0.265SS..  trans-109.5125.1-173.4-172.7-11000111C111 Q115 I116 C117C111-D113 PolarHBondContact SG-O 3.23Å; D113-Q115 VanDerWaalsContact C-N 3.29Å; D113-Q115 PolarHBondContact O-N 3.07Å; D113-Q115 WeakPolarHBondContact OD1-CB 3.35Å; D113-Q115 PolarHBondContact OD1-N 3.47Å; D113-I116 HydrophobicContact CB-CB 4.36Å; D113-I116 HydrophobicContact CB-CD1 3.89Å; D113-I116 HydrophobicContact CB-CG1 3.94Å; D113-I116 PolarHBondContact O-N 2.92Å; D113-C117 PolarHBondContact O-N 2.78Å
114Q90.7Very high94.1Very high93 Ų9347.4 Ų47.444%0.43525%0.253SS..Hα-helixtrans-61.3-36.8175.8-175.2177-19.900112.2H87 I116 C117 E118H87-Q114 PolarHBondContact CD2-N 2.87Å; Q114-I116 VanDerWaalsContact C-N 3.3Å; Q114-I116 PolarHBondContact O-N 3.23Å; Q114-C117 WeakPolarHBondContact O-CB 3.44Å; Q114-C117 PolarHBondContact O-N 3.33Å; Q114-E118 PolarHBondContact NE2-OE1 3.27Å; Q114-E118 PolarHBondContact O-N 3.03Å
115Q92.9Very high94.2Very high142 Ų14248.7 Ų48.766%0.66426%0.257SS*.Hα-helixtrans-64.9-37.3-177.5-65.6-175.4-6.600111.4D113 E118 Q119D113-Q115 VanDerWaalsContact C-N 3.29Å; D113-Q115 PolarHBondContact O-N 3.07Å; D113-Q115 WeakPolarHBondContact OD1-CB 3.35Å; D113-Q115 PolarHBondContact OD1-N 3.47Å; Q115-E118 PolarHBondContact O-N 2.98Å; Q115-Q119 VanDerWaalsContact O-CB 3.3Å; Q115-Q119 WeakPolarHBondContact O-CB 3.45Å; Q115-Q119 PolarHBondContact O-N 2.88Å
116I92.7Very high94.2Very high52 Ų5252.1 Ų52.127%0.26727%0.27SS..Hα-helixtrans-62.6-46.6175-63.9178.9000109.8L12 C111 D113 Q114 E118 Q119 W120L12-I116 HydrophobicContact CD2-CG2 3.89Å; C111-I116 HydrophobicContact CB-CG2 4.48Å; D113-I116 HydrophobicContact CB-CB 4.36Å; D113-I116 HydrophobicContact CB-CD1 3.89Å; D113-I116 HydrophobicContact CB-CG1 3.94Å; D113-I116 PolarHBondContact O-N 2.92Å; Q114-I116 VanDerWaalsContact C-N 3.3Å; Q114-I116 PolarHBondContact O-N 3.23Å; I116-E118 VanDerWaalsContact C-N 3.35Å; I116-E118 PolarHBondContact O-N 2.88Å; I116-Q119 PolarHBondContact O-N 2.74Å; I116-W120 PolarHBondContact O-N 3.35Å
117C93.1Very high94.2Very high4 Ų449.2 Ų49.23%0.02725%0.254CS..Hα-helixtrans-57.2-48.7177.4-171.70000111.6H87 A88 D113 Q114 Q119 W120 V121H87-C117 HydrophobicContact CB-CB 4.37Å; A88-C117 PolarHBondContact O-SG 3.17Å; A88-C117 VanDerWaalsContact O-SG 3.39Å; D113-C117 PolarHBondContact O-N 2.78Å; Q114-C117 WeakPolarHBondContact O-CB 3.44Å; Q114-C117 PolarHBondContact O-N 3.33Å; C117-Q119 PolarHBondContact O-N 3.22Å; C117-W120 PolarHBondContact O-N 3.42Å; C117-V121 WeakPolarHBondContact O-CG2 3.45Å; C117-V121 PolarHBondContact O-N 2.71Å
118E94.3Very high94.3Very high69 Ų6950 Ų5032%0.32226%0.258SS..Hα-helixtrans-59.9-45.2178-82169.8-176.100112.7K62 Q114 Q115 I116 W120 V121 Q122K62-E118 VanDerWaalsContact CE-CG 3.41Å; K62-E118 IonicContact NZ-OE1 3.93Å; K62-E118 PolarHBondContact NZ-OE1 3.2Å; Q114-E118 PolarHBondContact NE2-OE1 3.27Å; Q114-E118 PolarHBondContact O-N 3.03Å; Q115-E118 PolarHBondContact O-N 2.98Å; I116-E118 VanDerWaalsContact C-N 3.35Å; I116-E118 PolarHBondContact O-N 2.88Å; E118-W120 PolarHBondContact O-N 3.41Å; E118-V121 PolarHBondContact O-N 3.37Å; E118-Q122 VanDerWaalsContact O-CB 3.32Å; E118-Q122 WeakPolarHBondContact O-CB 3.47Å; E118-Q122 PolarHBondContact O-N 3.3Å
119Q96Very high94.1Very high101 Ų10151.6 Ų51.647%0.47227%0.271SS..Hα-helixtrans-61.7-43.6178.1-167.6-177.714.300111.5I8 Q115 I116 C117 Q122 V123I8-Q119 HydrophobicContact CD1-CB 4.36Å; I8-Q119 HydrophobicContact CD1-CG 3.7Å; Q115-Q119 VanDerWaalsContact O-CB 3.3Å; Q115-Q119 WeakPolarHBondContact O-CB 3.45Å; Q115-Q119 PolarHBondContact O-N 2.88Å; I116-Q119 PolarHBondContact O-N 2.74Å; C117-Q119 PolarHBondContact O-N 3.22Å; Q119-Q122 PolarHBondContact O-N 3.31Å; Q119-V123 HydrophobicContact CG-CG2 4.25Å; Q119-V123 WeakPolarHBondContact O-CB 3.19Å; Q119-V123 WeakPolarHBondContact O-CG2 3.34Å; Q119-V123 PolarHBondContact O-N 2.82Å
120W97Very high94.1Very high0 Ų057.1 Ų57.10%030%0.3CS..Hα-helixtrans-63.8-44.8177.6-86.399.3000112.7I8 S10 V21 L23 L28 F89 I116 C117 E118 I124I8-W120 HydrophobicContact CB-CZ2 4.45Å; I8-W120 HydrophobicContact CD1-CD2 4.19Å; I8-W120 HydrophobicContact CD1-CG 4.31Å; I8-W120 HydrophobicContact CD1-CZ2 4.44Å; I8-W120 HydrophobicContact CG1-CZ2 3.96Å; I8-W120 HydrophobicContact CG2-CD2 4.22Å; I8-W120 HydrophobicContact CG2-CE3 3.92Å; I8-W120 HydrophobicContact CG2-CH2 3.68Å; I8-W120 HydrophobicContact CG2-CZ2 3.96Å; I8-W120 HydrophobicContact CG2-CZ3 3.67Å; S10-W120 PolarHBondContact OG-NE1 3.35Å; V21-W120 HydrophobicContact CB-CH2 4.09Å; V21-W120 HydrophobicContact CB-CZ2 4.17Å; V21-W120 HydrophobicContact CG1-CH2 3.65Å; V21-W120 HydrophobicContact CG1-CZ2 4.16Å; V21-W120 HydrophobicContact CG1-CZ3 3.95Å; V21-W120 WeakPolarHBondContact O-CH2 3.32Å; V21-W120 WeakPolarHBondContact O-CZ2 3.36Å; L23-W120 HydrophobicContact CB-CH2 4.21Å; L23-W120 HydrophobicContact CB-CZ3 3.81Å; L28-W120 HydrophobicContact CD1-CZ3 3.87Å; F89-W120 HydrophobicContact CD1-CB 4.11Å; F89-W120 HydrophobicContact CD2-CB 4.39Å; F89-W120 HydrophobicContact CE1-CB 3.62Å; F89-W120 HydrophobicContact CE1-CD2 4.5Å; F89-W120 AromaticContact CE1-CG 3.76Å; F89-W120 HydrophobicContact CE1-CG 3.76Å; F89-W120 HydrophobicContact CE2-CB 3.93Å; F89-W120 HydrophobicContact CE2-CG 4.34Å; F89-W120 HydrophobicContact CG-CB 4.47Å; F89-W120 HydrophobicContact CZ-CB 3.52Å; F89-W120 AromaticContact CZ-CD2 3.89Å; F89-W120 HydrophobicContact CZ-CD2 3.89Å; F89-W120 HydrophobicContact CZ-CE3 4.22Å; F89-W120 AromaticContact CZ-CG 3.56Å; F89-W120 HydrophobicContact CZ-CG 3.56Å; I116-W120 PolarHBondContact O-N 3.35Å; C117-W120 PolarHBondContact O-N 3.42Å; E118-W120 PolarHBondContact O-N 3.41Å; W120-I124 HydrophobicContact CE3-CD1 4.05Å; W120-I124 HydrophobicContact CE3-CG1 4.42Å; W120-I124 WeakPolarHBondContact O-CB 3.2Å; W120-I124 VanDerWaalsContact O-CG1 3.29Å; W120-I124 WeakPolarHBondContact O-CG1 3.38Å; W120-I124 PolarHBondContact O-N 2.86Å
121V96.6Very high94.1Very high18 Ų1856.8 Ų56.811%0.10930%0.299CS..Hα-helixtrans-61.4-46.5176.5174.20000110.5V60 K62 F89 C117 E118 N125V60-V121 HydrophobicContact CG1-CG1 4.36Å; V60-V121 HydrophobicContact CG2-CB 4.45Å; V60-V121 HydrophobicContact CG2-CG2 4.09Å; K62-V121 HydrophobicContact CG-CG2 4.04Å; F89-V121 HydrophobicContact CB-CG2 3.61Å; F89-V121 HydrophobicContact CG-CG2 4.27Å; C117-V121 WeakPolarHBondContact O-CG2 3.45Å; C117-V121 PolarHBondContact O-N 2.71Å; E118-V121 PolarHBondContact O-N 3.37Å; V121-N125 WeakPolarHBondContact O-CB 3.34Å; V121-N125 PolarHBondContact O-N 3.21Å; V121-N125 PolarHBondContact O-ND2 3.08Å
122Q96.9Very high94.1Very high113 Ų11363 Ų6353%0.52834%0.337SS..Hα-helixtrans-61.2-53.6179.1-179-176.1-18.500111.3E118 Q119 I124 N125 E126E118-Q122 VanDerWaalsContact O-CB 3.32Å; E118-Q122 WeakPolarHBondContact O-CB 3.47Å; E118-Q122 PolarHBondContact O-N 3.3Å; Q119-Q122 PolarHBondContact O-N 3.31Å; Q122-I124 PolarHBondContact O-N 2.92Å; Q122-N125 PolarHBondContact O-N 3.01Å; Q122-N125 VanDerWaalsContact O-N 3.16Å; Q122-E126 HydrophobicContact CG-CG 4.48Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.46Å; Q122-E126 PolarHBondContact NE2-OE1 3.48Å; Q122-E126 WeakPolarHBondContact O-CG 3.34Å; Q122-E126 PolarHBondContact O-N 2.64Å
123V97.3Very high94.4Very high16 Ų1662.4 Ų62.410%0.09733%0.325CS..Hα-helixtrans-64.7-39.4-175173.40000111.5I7 I8 L23 Q119 E126 Q127I7-V123 HydrophobicContact CG2-CG1 3.46Å; I7-V123 VanDerWaalsContact CG2-CG1 3.46Å; I8-V123 HydrophobicContact CG2-CG1 3.99Å; L23-V123 HydrophobicContact CD2-CG1 3.66Å; Q119-V123 HydrophobicContact CG-CG2 4.25Å; Q119-V123 WeakPolarHBondContact O-CB 3.19Å; Q119-V123 WeakPolarHBondContact O-CG2 3.34Å; Q119-V123 PolarHBondContact O-N 2.82Å; V123-E126 PolarHBondContact O-N 2.74Å; V123-Q127 WeakPolarHBondContact O-CG 3.02Å; V123-Q127 PolarHBondContact O-N 2.93Å
124I97.3Very high94.7Very high1 Ų160.7 Ų60.71%0.00531%0.313CS..Hα-helixtrans-64.5-44.5175.1-69169.8000110.2L23 I57 V60 F89 V91 W120 Q122 E126 Q127 L128L23-I124 HydrophobicContact CD2-CG1 4.01Å; I57-I124 HydrophobicContact CD1-CG2 4.27Å; I57-I124 HydrophobicContact CG2-CG2 4.31Å; V60-I124 HydrophobicContact CB-CB 4.35Å; V60-I124 HydrophobicContact CB-CG2 3.86Å; V60-I124 HydrophobicContact CG1-CB 3.88Å; V60-I124 HydrophobicContact CG1-CG2 3.58Å; V60-I124 HydrophobicContact CG2-CB 4.49Å; V60-I124 HydrophobicContact CG2-CD1 4.17Å; V60-I124 HydrophobicContact CG2-CG2 4.44Å; F89-I124 HydrophobicContact CE2-CD1 4.33Å; V91-I124 HydrophobicContact CG2-CD1 3.81Å; W120-I124 HydrophobicContact CE3-CD1 4.05Å; W120-I124 HydrophobicContact CE3-CG1 4.42Å; W120-I124 WeakPolarHBondContact O-CB 3.2Å; W120-I124 VanDerWaalsContact O-CG1 3.29Å; W120-I124 WeakPolarHBondContact O-CG1 3.38Å; W120-I124 PolarHBondContact O-N 2.86Å; Q122-I124 PolarHBondContact O-N 2.92Å; I124-E126 VanDerWaalsContact C-N 3.31Å; I124-E126 PolarHBondContact O-N 3.14Å; I124-Q127 PolarHBondContact O-N 3.42Å; I124-L128 HydrophobicContact CG2-CD1 4.25Å; I124-L128 HydrophobicContact CG2-CG 4.36Å; I124-L128 WeakPolarHBondContact O-CG 3.47Å; I124-L128 PolarHBondContact O-N 3.15Å
125N96.2Very high95Very high69 Ų6956.5 Ų56.537%0.36929%0.294SS..Hα-helixtrans-62.1-37.5176.4-81.5-41.5000112.6V60 V121 Q122 L128 S129V60-N125 HydrophobicContact CG1-CB 4.5Å; V60-N125 WeakPolarHBondContact CG1-ND2 3.3Å; V60-N125 WeakPolarHBondContact CG1-OD1 3.37Å; V121-N125 WeakPolarHBondContact O-CB 3.34Å; V121-N125 PolarHBondContact O-N 3.21Å; V121-N125 PolarHBondContact O-ND2 3.08Å; Q122-N125 PolarHBondContact O-N 3.01Å; Q122-N125 VanDerWaalsContact O-N 3.16Å; N125-L128 PolarHBondContact O-N 3.23Å; N125-S129 WeakPolarHBondContact O-CB 3.33Å; N125-S129 PolarHBondContact O-N 3.47Å
126E95.9Very high95.2Very high86 Ų8656.1 Ų56.140%0.40229%0.29SS..Hα-helixtrans-59.7-48.4172.4-73.9170.9-174.200110.7Q122 V123 I124 L128 S129 L130Q122-E126 HydrophobicContact CG-CG 4.48Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.46Å; Q122-E126 PolarHBondContact NE2-OE1 3.48Å; Q122-E126 WeakPolarHBondContact O-CG 3.34Å; Q122-E126 PolarHBondContact O-N 2.64Å; V123-E126 PolarHBondContact O-N 2.74Å; I124-E126 VanDerWaalsContact C-N 3.31Å; I124-E126 PolarHBondContact O-N 3.14Å; E126-L128 VanDerWaalsContact C-N 3.32Å; E126-L128 PolarHBondContact O-N 3.22Å; E126-S129 PolarHBondContact O-N 2.87Å; E126-S129 VanDerWaalsContact O-N 3.14Å; E126-S129 PolarHBondContact O-OG 3.46Å; E126-L130 WeakPolarHBondContact O-CG 3.08Å; E126-L130 PolarHBondContact O-N 3.03Å
127Q96.1Very high95.4Very high32 Ų3256.6 Ų56.615%0.1529%0.293CS..Hα-helixtrans-61.8-38176.3-66.2-51.5-70.300112.8I7 L23 V54 V123 I124 S129 L130I7-Q127 VanDerWaalsContact CD1-CD 3.4Å; I7-Q127 HydrophobicContact CD1-CG 3.9Å; L23-Q127 HydrophobicContact CD2-CG 4Å; V54-Q127 HydrophobicContact CG1-CB 3.95Å; V123-Q127 WeakPolarHBondContact O-CG 3.02Å; V123-Q127 PolarHBondContact O-N 2.93Å; I124-Q127 PolarHBondContact O-N 3.42Å; Q127-S129 VanDerWaalsContact C-N 3.34Å; Q127-L130 PolarHBondContact O-N 3.09Å
128L95.2Very high95.7Very high18 Ų1856.4 Ų56.49%0.09429%0.292CS..Hα-helixtrans-65.9-36.7175-69.5-177.9000112.2V54 I57 I124 N125 E126 L130 L131V54-L128 HydrophobicContact CG1-CD2 4.29Å; V54-L128 WeakPolarHBondContact O-CD2 3.41Å; I57-L128 HydrophobicContact CB-CD2 4.05Å; I57-L128 HydrophobicContact CG2-CD1 4Å; I57-L128 HydrophobicContact CG2-CD2 4.29Å; I124-L128 HydrophobicContact CG2-CD1 4.25Å; I124-L128 HydrophobicContact CG2-CG 4.36Å; I124-L128 WeakPolarHBondContact O-CG 3.47Å; I124-L128 PolarHBondContact O-N 3.15Å; N125-L128 PolarHBondContact O-N 3.23Å; E126-L128 VanDerWaalsContact C-N 3.32Å; E126-L128 PolarHBondContact O-N 3.22Å; L128-L130 PolarHBondContact O-N 2.89Å; L128-L131 HydrophobicContact CD2-CD1 3.9Å; L128-L131 WeakPolarHBondContact O-CB 3.45Å; L128-L131 PolarHBondContact O-N 3.4Å; L128-L131 VanDerWaalsContact O-N 3.13Å
129S93.5Very high95.9Very high77 Ų7753.1 Ų53.154%0.53828%0.276SS..Hα-helixtrans-67.4-22.8179.478.10000113.6N125 E126 Q127 L131N125-S129 WeakPolarHBondContact O-CB 3.33Å; N125-S129 PolarHBondContact O-N 3.47Å; E126-S129 PolarHBondContact O-N 2.87Å; E126-S129 VanDerWaalsContact O-N 3.14Å; E126-S129 PolarHBondContact O-OG 3.46Å; Q127-S129 VanDerWaalsContact C-N 3.34Å; S129-L131 VanDerWaalsContact C-N 3.26Å; S129-L131 PolarHBondContact O-N 3.49Å
130L94.7Very high96Very high116 Ų11648.3 Ų48.361%0.60725%0.254SS*.THydrogen-bonded Turntrans-75.2-14.4174.5-63.8177.3000113E126 Q127 L128 T132E126-L130 WeakPolarHBondContact O-CG 3.08Å; E126-L130 PolarHBondContact O-N 3.03Å; Q127-L130 PolarHBondContact O-N 3.09Å; L128-L130 PolarHBondContact O-N 2.89Å; L130-T132 PolarHBondContact O-N 2.75Å; L130-T132 VanDerWaalsContact O-N 3.12Å
131L93.7Very high96.1Very high40 Ų4048.3 Ų48.321%0.20925%0.254CS..  trans-79.693.4178.7-58.3175.1000110.4V54 C55 L128 S129 N133 R134V54-L131 HydrophobicContact CG1-CD1 4.49Å; C55-L131 HydrophobicContact CB-CD1 4.3Å; C55-L131 HydrophobicContact CB-CD2 4.4Å; L128-L131 HydrophobicContact CD2-CD1 3.9Å; L128-L131 WeakPolarHBondContact O-CB 3.45Å; L128-L131 PolarHBondContact O-N 3.4Å; L128-L131 VanDerWaalsContact O-N 3.13Å; S129-L131 VanDerWaalsContact C-N 3.26Å; S129-L131 PolarHBondContact O-N 3.49Å; L131-N133 PolarHBondContact O-N 2.89Å; L131-R134 HydrophobicContact CB-CG 4.08Å; L131-R134 PolarHBondContact O-N 2.72Å
132T90.9Very high96.2Very high137 Ų13747.7 Ų47.784%0.8425%0.25SC*.THydrogen-bonded Turntrans-66.2-19.2-177.756.60000114.1L130 R134L130-T132 PolarHBondContact O-N 2.75Å; L130-T132 VanDerWaalsContact O-N 3.12Å; T132-R134 VanDerWaalsContact C-N 3.31Å
133N92Very high96Very high58 Ų5844 Ų4431%0.3123%0.234SC..THydrogen-bonded Turntrans-78.9-14.5-179.868.3-51.9000112.8L131 R238 V269 G270L131-N133 PolarHBondContact O-N 2.89Å; N133-R238 VanDerWaalsContact O-CZ 3.25Å; N133-R238 PolarHBondContact O-NH1 3.32Å; N133-R238 PolarHBondContact O-NH2 2.82Å; N133-V269 PolarHBondContact ND2-O 2.81Å; N133-G270 PolarHBondContact ND2-O 3.31Å; N133-G270 WeakPolarHBondContact O-CA 3.42Å
134R95.3Very high95.6Very high32 Ų3243.9 Ų43.912%0.12123%0.234CC..SBendtrans-78.7128.4-178.9-71.8-169.8164.1-160.1-3.5112C55 I57 L131 T132C55-R134 PolarHBondContact O-NH2 2.86Å; I57-R134 PolarHBondContact O-NH1 2.93Å; I57-R134 PolarHBondContact O-NH2 2.94Å; L131-R134 HydrophobicContact CB-CG 4.08Å; L131-R134 PolarHBondContact O-N 2.72Å; T132-R134 VanDerWaalsContact C-N 3.31Å
135P97.4Very high94.9Very high6 Ų651.4 Ų51.44%0.03926%0.263CS..  trans-71.2147.8175.631-33.1000110.6L138 I168 D195 I267 F532P135-L138 HydrophobicContact CB-CD2 3.66Å; P135-L138 HydrophobicContact CB-CG 4.13Å; P135-L138 HydrophobicContact CG-CD1 4.41Å; P135-L138 HydrophobicContact CG-CD2 4.25Å; P135-I168 HydrophobicContact CG-CD1 4.13Å; P135-I168 WeakPolarHBondContact O-CG1 3.48Å; P135-D195 HydrophobicContact CB-CB 3.81Å; P135-I267 WeakPolarHBondContact CD-O 3.21Å; P135-I267 HydrophobicContact CG-CG2 4.08Å; P135-I267 VanDerWaalsContact CG-O 3.31Å; P135-I267 WeakPolarHBondContact CG-O 3.4Å; P135-F532 HydrophobicContact CB-CE1 4.28Å; P135-F532 HydrophobicContact CB-CZ 4.02Å; P135-F532 HydrophobicContact CG-CE1 3.9Å; P135-F532 HydrophobicContact CG-CZ 4.06Å
136K96.8Very high93.6Very high134 Ų13448.7 Ų48.758%0.58325%0.251SS*.SBendtrans-113.3-38.8171.9-64.9180-178.9175.10111.2F169 D195K136-F169 PolarHBondContact O-N 3.21Å; K136-D195 WeakPolarHBondContact CA-OD2 3.28Å; K136-D195 PolarHBondContact N-OD2 3.28Å
137N98.1Very high92.2Very high61 Ų6146.6 Ų46.633%0.32625%0.253SS..EExtended strand (participates in β ladder)trans-122.1127179.7-56.4-55.3000110.3F169 D193 Y194 D195N137-F169 WeakPolarHBondContact CA-O 3.44Å; N137-D193 WeakPolarHBondContact CB-O 3.5Å; N137-Y194 HydrophobicContact CB-CD1 4.41Å; N137-D195 PolarHBondContact N-OD2 3.27Å; N137-D195 PolarHBondContact O-N 3.2Å
138L98.8Very high90.8Very high0 Ų052.1 Ų52.10%028%0.276CS..EExtended strand (participates in β ladder)trans-127.5134.6179.7-64.5175.7000111.6P135 V140 F163 I168 F169 T170 D171 V198 I267 F532P135-L138 HydrophobicContact CB-CD2 3.66Å; P135-L138 HydrophobicContact CB-CG 4.13Å; P135-L138 HydrophobicContact CG-CD1 4.41Å; P135-L138 HydrophobicContact CG-CD2 4.25Å; L138-V140 HydrophobicContact CB-CG2 4.39Å; L138-F163 HydrophobicContact CD1-CE2 4.2Å; L138-F163 HydrophobicContact CD1-CZ 4.13Å; L138-I168 HydrophobicContact CD1-CG2 3.65Å; L138-I168 HydrophobicContact CG-CG2 3.88Å; L138-F169 PolarHBondContact N-O 3.41Å; L138-T170 HydrophobicContact CB-CG2 4.35Å; L138-T170 VanDerWaalsContact O-CA 3.31Å; L138-T170 WeakPolarHBondContact O-CA 3.09Å; L138-D171 PolarHBondContact O-N 3.28Å; L138-V198 HydrophobicContact CB-CG2 4.32Å; L138-V198 HydrophobicContact CD1-CG2 3.94Å; L138-V198 HydrophobicContact CD2-CG2 4.31Å; L138-V198 HydrophobicContact CG-CG2 4.44Å; L138-I267 HydrophobicContact CD1-CG2 3.53Å; L138-F532 HydrophobicContact CD2-CE2 4.16Å; L138-F532 HydrophobicContact CD2-CZ 4.25Å
139L98.8Very high90.2Very high1 Ų160.3 Ų60.31%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-89.5115.8167.7-177.456.3000109.3Y141 D171 I173 L185 A189 Y194 G196 V197 V198L139-Y141 HydrophobicContact CD2-CE2 3.72Å; L139-Y141 VanDerWaalsContact CD2-OH 3.27Å; L139-Y141 WeakPolarHBondContact CD2-OH 3.31Å; L139-Y141 HydrophobicContact CG-CD2 4.39Å; L139-Y141 HydrophobicContact CG-CE2 3.7Å; L139-D171 HydrophobicContact CD1-CB 4.15Å; L139-I173 HydrophobicContact CD1-CD1 3.91Å; L139-I173 HydrophobicContact CD1-CG1 4.31Å; L139-L185 HydrophobicContact CD2-CD2 4.21Å; L139-A189 HydrophobicContact CD2-CB 4.14Å; L139-Y194 HydrophobicContact CB-CD1 3.76Å; L139-Y194 HydrophobicContact CB-CD2 4.12Å; L139-Y194 HydrophobicContact CB-CE1 3.77Å; L139-Y194 HydrophobicContact CB-CE2 4.16Å; L139-Y194 HydrophobicContact CB-CG 3.92Å; L139-Y194 HydrophobicContact CD1-CE1 4.34Å; L139-Y194 HydrophobicContact CD2-CD2 4.43Å; L139-Y194 HydrophobicContact CD2-CE2 4.11Å; L139-G196 PolarHBondContact N-O 2.77Å; L139-G196 VanDerWaalsContact N-O 3.16Å; L139-V197 HydrophobicContact CB-CG1 4.48Å; L139-V197 HydrophobicContact CB-CG2 4.46Å; L139-V197 CarbonylContact O-C 3.6Å; L139-V197 VanDerWaalsContact O-CA 3.31Å; L139-V197 WeakPolarHBondContact O-CA 3.48Å; L139-V197 WeakPolarHBondContact O-CG1 3.39Å; L139-V198 PolarHBondContact O-N 3.04Å
140V98.8Very high89.8Confident0 Ų063.2 Ų63.20%031%0.305CS..EExtended strand (participates in β ladder)trans-109.8120.8-174.2-174.80000110.1L138 I142 Y155 T170 D171 V172 I173 V198 V200L138-V140 HydrophobicContact CB-CG2 4.39Å; V140-I142 HydrophobicContact CG1-CG1 4.15Å; V140-Y155 HydrophobicContact CB-CE2 4.49Å; V140-Y155 HydrophobicContact CG1-CD2 4.14Å; V140-Y155 HydrophobicContact CG1-CE2 3.72Å; V140-Y155 HydrophobicContact CG2-CE2 4.28Å; V140-T170 HydrophobicContact CG2-CG2 3.99Å; V140-D171 PolarHBondContact N-O 3.24Å; V140-V172 HydrophobicContact CB-CG2 4.23Å; V140-V172 CarbonylContact O-C 3.18Å; V140-V172 WeakPolarHBondContact O-CA 3.5Å; V140-I173 PolarHBondContact O-N 3.18Å; V140-V198 CarbonylContact C-O 3.28Å; V140-V198 WeakPolarHBondContact CA-O 3.49Å; V140-V198 HydrophobicContact CG1-CB 4.38Å; V140-V198 HydrophobicContact CG1-CG1 4.5Å; V140-V198 HydrophobicContact CG2-CB 4.18Å; V140-V200 HydrophobicContact CG1-CG2 3.81Å
141Y98.6Very high89.7Confident0 Ų057.8 Ų57.80%028%0.277CS..EExtended strand (participates in β ladder)trans-104.4130.7170.5-62.9-88.9000111.5L139 I173 T175 A181 H184 L185 V197 V198 V200 M205 I209L139-Y141 HydrophobicContact CD2-CE2 3.72Å; L139-Y141 VanDerWaalsContact CD2-OH 3.27Å; L139-Y141 WeakPolarHBondContact CD2-OH 3.31Å; L139-Y141 HydrophobicContact CG-CD2 4.39Å; L139-Y141 HydrophobicContact CG-CE2 3.7Å; Y141-I173 CarbonylContact C-O 3.6Å; Y141-I173 VanDerWaalsContact CA-O 3.3Å; Y141-I173 WeakPolarHBondContact CA-O 3.21Å; Y141-I173 HydrophobicContact CD1-CB 3.82Å; Y141-I173 HydrophobicContact CD1-CD1 4.42Å; Y141-I173 HydrophobicContact CD1-CG2 3.97Å; Y141-I173 HydrophobicContact CE1-CB 4.05Å; Y141-I173 HydrophobicContact CE1-CD1 3.78Å; Y141-I173 HydrophobicContact CE1-CG1 4.45Å; Y141-I173 HydrophobicContact CE1-CG2 4.12Å; Y141-T175 HydrophobicContact CD1-CG2 4.4Å; Y141-A181 HydrophobicContact CD1-CB 3.51Å; Y141-A181 HydrophobicContact CD2-CB 4.23Å; Y141-A181 HydrophobicContact CE1-CB 3.87Å; Y141-A181 HydrophobicContact CG-CB 3.7Å; Y141-H184 HydrophobicContact CE1-CB 4.34Å; Y141-H184 AromaticContact CE1-ND1 3.87Å; Y141-H184 AromaticContact CZ-ND1 3.7Å; Y141-H184 PolarHBondContact OH-ND1 3.26Å; Y141-L185 HydrophobicContact CE2-CD1 4.06Å; Y141-L185 HydrophobicContact CE2-CD2 3.92Å; Y141-L185 HydrophobicContact CE2-CG 3.91Å; Y141-L185 WeakPolarHBondContact OH-CD2 3.44Å; Y141-L185 WeakPolarHBondContact OH-CG 3.24Å; Y141-V197 HydrophobicContact CD2-CG1 3.76Å; Y141-V197 HydrophobicContact CE2-CG1 3.64Å; Y141-V198 PolarHBondContact N-O 3.45Å; Y141-V200 PolarHBondContact O-N 2.74Å; Y141-M205 HydrophobicContact CG-CE 4.08Å; Y141-I209 HydrophobicContact CD2-CD1 3.73Å; Y141-I209 HydrophobicContact CD2-CG1 4.22Å; Y141-I209 HydrophobicContact CG-CD1 4.37Å
142I97.7Very high89.7Confident4 Ų459.8 Ų59.82%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-115.2123.6-178.8-53.4-178000109.7V140 P144 E152 Y155 V172 I173 V174 T175 V200V140-I142 HydrophobicContact CG1-CG1 4.15Å; I142-P144 VanDerWaalsContact O-CD 3.25Å; I142-P144 WeakPolarHBondContact O-CD 3.47Å; I142-E152 HydrophobicContact CG2-CG 3.83Å; I142-Y155 HydrophobicContact CD1-CD1 3.63Å; I142-Y155 HydrophobicContact CD1-CD2 4.43Å; I142-Y155 HydrophobicContact CD1-CE1 4.31Å; I142-Y155 HydrophobicContact CD1-CG 3.69Å; I142-V172 HydrophobicContact CD1-CG1 3.42Å; I142-V172 VanDerWaalsContact CD1-CG1 3.42Å; I142-V172 HydrophobicContact CG1-CG1 3.97Å; I142-I173 PolarHBondContact N-O 2.95Å; I142-V174 HydrophobicContact CB-CG2 4.41Å; I142-T175 PolarHBondContact O-N 3.09Å; I142-T175 PolarHBondContact O-OG1 3.49Å; I142-V200 HydrophobicContact CB-CB 4.36Å; I142-V200 HydrophobicContact CG1-CB 4.05Å; I142-V200 HydrophobicContact CG1-CG2 4.02Å; I142-V200 HydrophobicContact CG2-CB 4.25Å; I142-V200 HydrophobicContact CG2-CG1 4.38Å
143N94.1Very high90Very high35 Ų3560.6 Ų60.619%0.18727%0.273CS..  trans-87.1107.8167.8-174.7-19.5000110.2Y145 G146 T175 V200 M205N143-Y145 VanDerWaalsContact C-N 3.27Å; N143-Y145 PolarHBondContact O-N 2.65Å; N143-Y145 PolarHBondContact OD1-N 2.76Å; N143-G146 PolarHBondContact OD1-N 3.41Å; N143-T175 WeakPolarHBondContact CA-OG1 3.29Å; N143-V200 PolarHBondContact N-O 3.5Å; N143-M205 HydrophobicContact CB-CB 4.48Å; N143-M205 HydrophobicContact CB-CG 4.25Å; N143-M205 HydrophobicContact CB-SD 3.84Å
144P88.9Confident90.1Very high15 Ų1559 Ų5910%0.09726%0.264CS..THydrogen-bonded Turntrans-72.4-23.6-177.131.6-36.1000112.4I142 R149 E152 V174 T175I142-P144 VanDerWaalsContact O-CD 3.25Å; I142-P144 WeakPolarHBondContact O-CD 3.47Å; P144-R149 WeakPolarHBondContact O-CA 3.33Å; P144-E152 HydrophobicContact CB-CG 4.41Å; P144-E152 WeakPolarHBondContact CB-OE1 3.38Å; P144-V174 HydrophobicContact CB-CG1 3.99Å; P144-V174 HydrophobicContact CG-CG1 3.79Å; P144-T175 VanDerWaalsContact CD-O 3.25Å; P144-T175 WeakPolarHBondContact CD-O 3.32Å; P144-T175 WeakPolarHBondContact CG-O 3.44Å
145Y81.9Confident90.3Very high158 Ų15858.1 Ų58.162%0.6226%0.261SS*.THydrogen-bonded Turntrans-99.5-7.4-175.6-55.5-63.9000113.9N143N143-Y145 VanDerWaalsContact C-N 3.27Å; N143-Y145 PolarHBondContact O-N 2.65Å; N143-Y145 PolarHBondContact OD1-N 2.76Å
146G69.1Low90.2Very high12 Ų1263.5 Ų63.512%0.12429%0.285CS..SBendtrans-60.5137.1-178.300000113N143 K148 R149N143-G146 PolarHBondContact OD1-N 3.41Å; G146-K148 PolarHBondContact O-N 3.44Å; G146-R149 PolarHBondContact O-N 3.37Å
147G66.1Low90.3Very high42 Ų4262.5 Ų62.543%0.43328%0.283SS..THydrogen-bonded Turntrans50.9-110.5172.800000113.9R149 S246G147-R149 VanDerWaalsContact C-N 3.3Å; G147-R149 PolarHBondContact O-N 3.46Å; G147-S246 WeakPolarHBondContact CA-OG 3.47Å
148K66.4Low90.2Very high149 Ų14964.2 Ų64.265%0.64829%0.287SS*.THydrogen-bonded Turntrans-86.28.1-177.6-64.3178.8-176.9169.80114G146 R150G146-K148 PolarHBondContact O-N 3.44Å; K148-R150 HydrophobicContact CB-CG 4.04Å; K148-R150 WeakPolarHBondContact O-CG 3.46Å
149R82.3Confident90.2Very high189 Ų18964.2 Ų64.271%0.71329%0.287SS*.THydrogen-bonded Turntrans56.647.6-174-54.3-176.7180-179.9-1.4112.4P144 G146 G147P144-R149 WeakPolarHBondContact O-CA 3.33Å; G146-R149 PolarHBondContact O-N 3.37Å; G147-R149 VanDerWaalsContact C-N 3.3Å; G147-R149 PolarHBondContact O-N 3.46Å
150R85.9Confident90.2Very high139 Ų13964.9 Ų64.953%0.52529%0.293SS..  trans-121.84.2-176.5-65.3-179.5-174.6-172.3-1.5113K148 E152 R153 I154K148-R150 HydrophobicContact CB-CG 4.04Å; K148-R150 WeakPolarHBondContact O-CG 3.46Å; R150-E152 PolarHBondContact O-N 2.96Å; R150-R153 PolarHBondContact O-N 3.33Å; R150-I154 HydrophobicContact CB-CD1 3.82Å; R150-I154 HydrophobicContact CB-CG1 4.11Å; R150-I154 WeakPolarHBondContact O-CB 3.36Å; R150-I154 VanDerWaalsContact O-CG1 3.25Å; R150-I154 WeakPolarHBondContact O-CG1 3.47Å; R150-I154 PolarHBondContact O-N 2.86Å
151G92.1Very high90.2Very high1 Ų166.9 Ų66.91%0.0131%0.306CS..Hα-helixtrans-52.1-58.3-174.200000112.4R153 I154 Y155 V200G151-R153 PolarHBondContact O-N 2.81Å; G151-I154 PolarHBondContact O-N 3.47Å; G151-Y155 PolarHBondContact O-N 2.93Å; G151-V200 WeakPolarHBondContact O-CG1 3.32Å
152E94.8Very high90.1Very high82 Ų8267.5 Ų67.538%0.38331%0.31SS..Hα-helixtrans-55.7-51.4177.6-67.2175.7-108.100111.8I142 P144 R150 I154 Y155 E156 V174I142-E152 HydrophobicContact CG2-CG 3.83Å; P144-E152 HydrophobicContact CB-CG 4.41Å; P144-E152 WeakPolarHBondContact CB-OE1 3.38Å; R150-E152 PolarHBondContact O-N 2.96Å; E152-I154 VanDerWaalsContact C-N 3.33Å; E152-I154 PolarHBondContact O-N 2.83Å; E152-Y155 WeakPolarHBondContact O-CB 3.49Å; E152-Y155 PolarHBondContact O-N 2.72Å; E152-Y155 VanDerWaalsContact O-N 3.11Å; E152-E156 WeakPolarHBondContact O-CG 3.48Å; E152-E156 PolarHBondContact O-N 2.85Å; E152-V174 HydrophobicContact CG-CG2 4.48Å
153R95.3Very high90.2Very high154 Ų15467.4 Ų67.458%0.58131%0.309SS*.Hα-helixtrans-60.4-40.5179.7-174.1179.2172.91733.2112.9R150 G151 Y155 Q157R150-R153 PolarHBondContact O-N 3.33Å; G151-R153 PolarHBondContact O-N 2.81Å; R153-Y155 VanDerWaalsContact C-N 3.34Å; R153-Q157 VanDerWaalsContact CG-CD 3.44Å; R153-Q157 HydrophobicContact CG-CG 4.09Å; R153-Q157 WeakPolarHBondContact O-CB 3.31Å; R153-Q157 VanDerWaalsContact O-CG 3.29Å; R153-Q157 WeakPolarHBondContact O-CG 3.4Å; R153-Q157 PolarHBondContact O-N 2.8Å
154I95.9Very high90.4Very high26 Ų2671.8 Ų71.813%0.13332%0.323CS..Hα-helixtrans-63.4-46.4176.7-74.9166.6000109.1R150 G151 E152 K158 V159 I242 A244 P260R150-I154 HydrophobicContact CB-CD1 3.82Å; R150-I154 HydrophobicContact CB-CG1 4.11Å; R150-I154 WeakPolarHBondContact O-CB 3.36Å; R150-I154 VanDerWaalsContact O-CG1 3.25Å; R150-I154 WeakPolarHBondContact O-CG1 3.47Å; R150-I154 PolarHBondContact O-N 2.86Å; G151-I154 PolarHBondContact O-N 3.47Å; E152-I154 VanDerWaalsContact C-N 3.33Å; E152-I154 PolarHBondContact O-N 2.83Å; I154-K158 WeakPolarHBondContact O-CA 3.27Å; I154-K158 VanDerWaalsContact O-CB 3.26Å; I154-K158 WeakPolarHBondContact O-CB 3.22Å; I154-K158 PolarHBondContact O-N 3.47Å; I154-V159 HydrophobicContact CG2-CG2 4.46Å; I154-V159 PolarHBondContact O-N 3.24Å; I154-I242 HydrophobicContact CG2-CG2 4.05Å; I154-A244 HydrophobicContact CD1-CB 3.83Å; I154-P260 HydrophobicContact CG2-CB 3.61Å; I154-P260 HydrophobicContact CG2-CG 3.65Å
155Y97.7Very high90.7Very high13 Ų1374.3 Ų74.35%0.05133%0.334CS..Iπ-helixtrans-59.4-58178.2-177.3-104.4000111.2V140 I142 G151 E152 R153 Q157 V159 A160 F163 T170 V172 V200V140-Y155 HydrophobicContact CB-CE2 4.49Å; V140-Y155 HydrophobicContact CG1-CD2 4.14Å; V140-Y155 HydrophobicContact CG1-CE2 3.72Å; V140-Y155 HydrophobicContact CG2-CE2 4.28Å; I142-Y155 HydrophobicContact CD1-CD1 3.63Å; I142-Y155 HydrophobicContact CD1-CD2 4.43Å; I142-Y155 HydrophobicContact CD1-CE1 4.31Å; I142-Y155 HydrophobicContact CD1-CG 3.69Å; G151-Y155 PolarHBondContact O-N 2.93Å; E152-Y155 WeakPolarHBondContact O-CB 3.49Å; E152-Y155 PolarHBondContact O-N 2.72Å; E152-Y155 VanDerWaalsContact O-N 3.11Å; R153-Y155 VanDerWaalsContact C-N 3.34Å; Y155-Q157 PolarHBondContact O-N 3.17Å; Y155-V159 HydrophobicContact CD2-CB 3.85Å; Y155-V159 HydrophobicContact CD2-CG1 3.87Å; Y155-V159 HydrophobicContact CE2-CB 4.3Å; Y155-V159 HydrophobicContact CE2-CG1 3.92Å; Y155-V159 WeakPolarHBondContact O-CA 3.36Å; Y155-V159 PolarHBondContact O-N 2.87Å; Y155-A160 HydrophobicContact CD1-CB 4.22Å; Y155-A160 HydrophobicContact CE1-CB 3.86Å; Y155-A160 PolarHBondContact O-N 3.17Å; Y155-F163 HydrophobicContact CE2-CD2 4.28Å; Y155-F163 HydrophobicContact CE2-CE2 4.21Å; Y155-T170 WeakPolarHBondContact OH-CB 3.36Å; Y155-T170 WeakPolarHBondContact OH-CG2 3.32Å; Y155-T170 PolarHBondContact OH-OG1 2.98Å; Y155-V172 HydrophobicContact CE1-CG1 4.24Å; Y155-V172 HydrophobicContact CE1-CG2 3.69Å; Y155-V172 WeakPolarHBondContact OH-CG2 3.41Å; Y155-V200 HydrophobicContact CD2-CG2 3.82Å; Y155-V200 HydrophobicContact CG-CG2 4.4Å
156E97.3Very high91.4Very high118 Ų11868.1 Ų68.155%0.55132%0.315SS*.Iπ-helixtrans-60.2-43.2-176.2-69.617716800113.3E152 P161E152-E156 WeakPolarHBondContact O-CG 3.48Å; E152-E156 PolarHBondContact O-N 2.85Å; E156-P161 WeakPolarHBondContact O-CD 3.36Å
157Q97.2Very high92.6Very high114 Ų11470.6 Ų70.653%0.53334%0.341SS..Iπ-helixtrans-89.1-22.5-171.8-61.4-175.9-6.500113.6R153 Y155R153-Q157 VanDerWaalsContact CG-CD 3.44Å; R153-Q157 HydrophobicContact CG-CG 4.09Å; R153-Q157 WeakPolarHBondContact O-CB 3.31Å; R153-Q157 VanDerWaalsContact O-CG 3.29Å; R153-Q157 WeakPolarHBondContact O-CG 3.4Å; R153-Q157 PolarHBondContact O-N 2.8Å; Y155-Q157 PolarHBondContact O-N 3.17Å
158K97.3Very high94.2Very high96 Ų9669.1 Ų69.142%0.41732%0.323SS..Iπ-helixtrans-124.7-36.6-172.3-56.4-173.8176.4-173.60114.5I154 V162 P260 V261I154-K158 WeakPolarHBondContact O-CA 3.27Å; I154-K158 VanDerWaalsContact O-CB 3.26Å; I154-K158 WeakPolarHBondContact O-CB 3.22Å; I154-K158 PolarHBondContact O-N 3.47Å; K158-V162 WeakPolarHBondContact O-CG2 3.38Å; K158-P260 HydrophobicContact CD-CB 4.46Å; K158-V261 HydrophobicContact CB-CG2 4.04Å; K158-V261 HydrophobicContact CD-CG2 4.47Å
159V98.4Very high95.7Very high0 Ų067.5 Ų67.50%032%0.316CS..Iπ-helixtrans-98.2-53.2-171-179.50000111.7I154 Y155 P161 V162 F163 I242 P260 A264I154-V159 HydrophobicContact CG2-CG2 4.46Å; I154-V159 PolarHBondContact O-N 3.24Å; Y155-V159 HydrophobicContact CD2-CB 3.85Å; Y155-V159 HydrophobicContact CD2-CG1 3.87Å; Y155-V159 HydrophobicContact CE2-CB 4.3Å; Y155-V159 HydrophobicContact CE2-CG1 3.92Å; Y155-V159 WeakPolarHBondContact O-CA 3.36Å; Y155-V159 PolarHBondContact O-N 2.87Å; V159-P161 VanDerWaalsContact C-N 3.3Å; V159-V162 WeakPolarHBondContact O-CA 3.26Å; V159-V162 WeakPolarHBondContact O-CB 3.2Å; V159-V162 PolarHBondContact O-N 3.16Å; V159-F163 HydrophobicContact CG1-CD1 4.48Å; V159-F163 HydrophobicContact CG1-CD2 3.78Å; V159-F163 HydrophobicContact CG1-CE1 4.11Å; V159-F163 HydrophobicContact CG1-CE2 3.37Å; V159-F163 HydrophobicContact CG1-CG 4.35Å; V159-F163 HydrophobicContact CG1-CZ 3.55Å; V159-F163 PolarHBondContact O-N 3.42Å; V159-I242 HydrophobicContact CG1-CD1 4.06Å; V159-I242 HydrophobicContact CG1-CG1 4.22Å; V159-I242 HydrophobicContact CG2-CD1 4.11Å; V159-I242 HydrophobicContact CG2-CG1 4.26Å; V159-I242 HydrophobicContact CG2-CG2 3.66Å; V159-P260 HydrophobicContact CG2-CB 4.32Å; V159-A264 HydrophobicContact CG1-CB 4Å; V159-A264 HydrophobicContact CG2-CB 4.4Å
160A98.4Very high96.5Very high16 Ų1660.1 Ų60.113%0.13229%0.292CS..Hα-helixtrans-54.2-38.3178.700000113.4Y155 V162 R164Y155-A160 HydrophobicContact CD1-CB 4.22Å; Y155-A160 HydrophobicContact CE1-CB 3.86Å; Y155-A160 PolarHBondContact O-N 3.17Å; A160-V162 VanDerWaalsContact C-N 3.34Å; A160-V162 PolarHBondContact O-N 3.48Å; A160-R164 WeakPolarHBondContact O-CB 3.28Å; A160-R164 VanDerWaalsContact O-CG 3.28Å; A160-R164 WeakPolarHBondContact O-CG 3.4Å; A160-R164 PolarHBondContact O-N 2.72Å; A160-R164 PolarHBondContact O-NE 2.95Å
161P98.1Very high97.1Very high42 Ų4256.2 Ų56.227%0.27328%0.282SS..Hα-helixtrans-63.2-37.8173.6-21.634.2000113.3E156 V159 Q165E156-P161 WeakPolarHBondContact O-CD 3.36Å; V159-P161 VanDerWaalsContact C-N 3.3Å; P161-Q165 VanDerWaalsContact O-CB 3.31Å; P161-Q165 WeakPolarHBondContact O-CB 3.25Å; P161-Q165 PolarHBondContact O-N 2.98Å
162V98.4Very high97.4Very high13 Ų1359.1 Ų59.18%0.07930%0.299CS..Hα-helixtrans-69.2-43179174.80000110.6K158 V159 A160 Q165 A166 A264 L265 V268K158-V162 WeakPolarHBondContact O-CG2 3.38Å; V159-V162 WeakPolarHBondContact O-CA 3.26Å; V159-V162 WeakPolarHBondContact O-CB 3.2Å; V159-V162 PolarHBondContact O-N 3.16Å; A160-V162 VanDerWaalsContact C-N 3.34Å; A160-V162 PolarHBondContact O-N 3.48Å; V162-Q165 PolarHBondContact O-N 3.43Å; V162-A166 PolarHBondContact O-N 3.07Å; V162-A166 VanDerWaalsContact O-N 3.09Å; V162-A264 HydrophobicContact CB-CB 4.31Å; V162-A264 HydrophobicContact CG1-CB 4.09Å; V162-L265 HydrophobicContact CG1-CD2 3.82Å; V162-L265 HydrophobicContact CG1-CG 4.37Å; V162-V268 HydrophobicContact CG1-CG2 3.9Å
163F98.6Very high97.5Very high1 Ų157 Ų570%0.00429%0.29CS..Hα-helixtrans-64.4-45174.9-68.7-14.7000112.5L138 Y155 V159 Q165 A166 G167 I168 T170 A264 I267 V268L138-F163 HydrophobicContact CD1-CE2 4.2Å; L138-F163 HydrophobicContact CD1-CZ 4.13Å; Y155-F163 HydrophobicContact CE2-CD2 4.28Å; Y155-F163 HydrophobicContact CE2-CE2 4.21Å; V159-F163 HydrophobicContact CG1-CD1 4.48Å; V159-F163 HydrophobicContact CG1-CD2 3.78Å; V159-F163 HydrophobicContact CG1-CE1 4.11Å; V159-F163 HydrophobicContact CG1-CE2 3.37Å; V159-F163 HydrophobicContact CG1-CG 4.35Å; V159-F163 HydrophobicContact CG1-CZ 3.55Å; V159-F163 PolarHBondContact O-N 3.42Å; F163-Q165 VanDerWaalsContact C-N 3.33Å; F163-Q165 PolarHBondContact O-N 3.09Å; F163-A166 CarbonylContact O-C 3.56Å; F163-A166 PolarHBondContact O-N 3.37Å; F163-A166 VanDerWaalsContact O-N 3.15Å; F163-G167 PolarHBondContact O-N 3.31Å; F163-G167 VanDerWaalsContact O-N 3.16Å; F163-I168 HydrophobicContact CB-CB 4.14Å; F163-I168 HydrophobicContact CD1-CD1 4.15Å; F163-I168 PolarHBondContact O-N 3.3Å; F163-T170 HydrophobicContact CB-CG2 4.37Å; F163-T170 HydrophobicContact CD2-CG2 3.64Å; F163-T170 HydrophobicContact CE2-CG2 4.31Å; F163-T170 HydrophobicContact CG-CG2 4.39Å; F163-A264 HydrophobicContact CE1-CB 4.08Å; F163-I267 HydrophobicContact CE1-CB 3.99Å; F163-I267 HydrophobicContact CE1-CD1 4.35Å; F163-I267 HydrophobicContact CE1-CG2 3.78Å; F163-I267 HydrophobicContact CZ-CB 4.26Å; F163-I267 HydrophobicContact CZ-CD1 3.86Å; F163-I267 HydrophobicContact CZ-CG2 3.91Å; F163-V268 HydrophobicContact CD1-CG2 3.97Å; F163-V268 HydrophobicContact CE1-CG2 4.35Å
164R97.5Very high97.6Very high127 Ų12752.3 Ų52.348%0.47928%0.278SS..Hα-helixtrans-59-44.3174.7-76.9-174.7-68134.1-6.2112A160 A166 G167A160-R164 WeakPolarHBondContact O-CB 3.28Å; A160-R164 VanDerWaalsContact O-CG 3.28Å; A160-R164 WeakPolarHBondContact O-CG 3.4Å; A160-R164 PolarHBondContact O-N 2.72Å; A160-R164 PolarHBondContact O-NE 2.95Å; R164-A166 VanDerWaalsContact C-N 3.26Å; R164-A166 PolarHBondContact O-N 2.68Å; R164-G167 PolarHBondContact O-N 3.08Å; R164-G167 VanDerWaalsContact O-N 3.09Å
165Q95.4Very high97.7Very high69 Ų6951.3 Ų51.332%0.32227%0.273SS..Hα-helixtrans-60.1-38.6177.5-175174.4200111.5V58 A59 S92 P161 V162 F163 G167V58-Q165 HydrophobicContact CG1-CG 4.25Å; A59-Q165 HydrophobicContact CB-CG 4.06Å; A59-Q165 WeakPolarHBondContact CB-O 3.34Å; S92-Q165 PolarHBondContact OG-NE2 2.93Å; P161-Q165 VanDerWaalsContact O-CB 3.31Å; P161-Q165 WeakPolarHBondContact O-CB 3.25Å; P161-Q165 PolarHBondContact O-N 2.98Å; V162-Q165 PolarHBondContact O-N 3.43Å; F163-Q165 VanDerWaalsContact C-N 3.33Å; F163-Q165 PolarHBondContact O-N 3.09Å; Q165-G167 VanDerWaalsContact C-N 3.27Å; Q165-G167 PolarHBondContact O-N 3.02Å
166A96.6Very high97.6Very high27 Ų2758.3 Ų58.322%0.22331%0.307CS..THydrogen-bonded Turntrans-79.40.1177.300000114.8V58 V162 F163 R164 I168 V268V58-A166 HydrophobicContact CG1-CB 4.18Å; V162-A166 PolarHBondContact O-N 3.07Å; V162-A166 VanDerWaalsContact O-N 3.09Å; F163-A166 CarbonylContact O-C 3.56Å; F163-A166 PolarHBondContact O-N 3.37Å; F163-A166 VanDerWaalsContact O-N 3.15Å; R164-A166 VanDerWaalsContact C-N 3.26Å; R164-A166 PolarHBondContact O-N 2.68Å; A166-I168 VanDerWaalsContact C-N 3.31Å; A166-I168 HydrophobicContact CB-CD1 4.04Å; A166-I168 HydrophobicContact CB-CG1 4.04Å; A166-I168 PolarHBondContact O-N 3.24Å; A166-V268 HydrophobicContact CB-CB 4.26Å; A166-V268 HydrophobicContact CB-CG1 3.59Å; A166-V268 HydrophobicContact CB-CG2 3.67Å
167G95.9Very high97.5Very high64 Ų6459 Ų5966%0.6630%0.304SS*.THydrogen-bonded Turntrans70.124.8-17700000114.3F163 R164 Q165F163-G167 PolarHBondContact O-N 3.31Å; F163-G167 VanDerWaalsContact O-N 3.16Å; R164-G167 PolarHBondContact O-N 3.08Å; R164-G167 VanDerWaalsContact O-N 3.09Å; Q165-G167 VanDerWaalsContact C-N 3.27Å; Q165-G167 PolarHBondContact O-N 3.02Å
168I98.2Very high97.2Very high12 Ų1257 Ų576%0.06231%0.307CS..  trans-88.7125.6178.2-60.2174.6000109.4P135 L138 F163 A166 T170 V268P135-I168 HydrophobicContact CG-CD1 4.13Å; P135-I168 WeakPolarHBondContact O-CG1 3.48Å; L138-I168 HydrophobicContact CD1-CG2 3.65Å; L138-I168 HydrophobicContact CG-CG2 3.88Å; F163-I168 HydrophobicContact CB-CB 4.14Å; F163-I168 HydrophobicContact CD1-CD1 4.15Å; F163-I168 PolarHBondContact O-N 3.3Å; A166-I168 VanDerWaalsContact C-N 3.31Å; A166-I168 HydrophobicContact CB-CD1 4.04Å; A166-I168 HydrophobicContact CB-CG1 4.04Å; A166-I168 PolarHBondContact O-N 3.24Å; I168-T170 HydrophobicContact CG2-CG2 4.3Å; I168-V268 HydrophobicContact CD1-CB 4.38Å; I168-V268 HydrophobicContact CD1-CG2 3.77Å
169F98.4Very high97.2Very high114 Ų11455 Ų5550%0.530%0.301SS..EExtended strand (participates in β ladder)trans-82.8139.4171-177.5-101.6000110.5K136 N137 L138 D171K136-F169 PolarHBondContact O-N 3.21Å; N137-F169 WeakPolarHBondContact CA-O 3.44Å; L138-F169 PolarHBondContact N-O 3.41Å; F169-D171 WeakPolarHBondContact CE1-OD1 3.3Å; F169-D171 VanDerWaalsContact CZ-OD1 3.3Å; F169-D171 WeakPolarHBondContact CZ-OD1 3.47Å
170T98.6Very high97.1Very high34 Ų3456.6 Ų56.621%0.20931%0.308CS..EExtended strand (participates in β ladder)trans-132.9124.2-178.1610000111.7L138 V140 Y155 F163 I168L138-T170 HydrophobicContact CB-CG2 4.35Å; L138-T170 VanDerWaalsContact O-CA 3.31Å; L138-T170 WeakPolarHBondContact O-CA 3.09Å; V140-T170 HydrophobicContact CG2-CG2 3.99Å; Y155-T170 WeakPolarHBondContact OH-CB 3.36Å; Y155-T170 WeakPolarHBondContact OH-CG2 3.32Å; Y155-T170 PolarHBondContact OH-OG1 2.98Å; F163-T170 HydrophobicContact CB-CG2 4.37Å; F163-T170 HydrophobicContact CD2-CG2 3.64Å; F163-T170 HydrophobicContact CE2-CG2 4.31Å; F163-T170 HydrophobicContact CG-CG2 4.39Å; I168-T170 HydrophobicContact CG2-CG2 4.3Å
171D98.3Very high97.1Very high58 Ų5855.8 Ų55.831%0.3130%0.302SS..EExtended strand (participates in β ladder)trans-91.9117.5165.6-71.5-37.7000108.8L138 L139 V140 F169 Y194L138-D171 PolarHBondContact O-N 3.28Å; L139-D171 HydrophobicContact CD1-CB 4.15Å; V140-D171 PolarHBondContact N-O 3.24Å; F169-D171 WeakPolarHBondContact CE1-OD1 3.3Å; F169-D171 VanDerWaalsContact CZ-OD1 3.3Å; F169-D171 WeakPolarHBondContact CZ-OD1 3.47Å; D171-Y194 HydrophobicContact CB-CE1 3.95Å; D171-Y194 VanDerWaalsContact OD2-CE1 3.3Å; D171-Y194 WeakPolarHBondContact OD2-CE1 3.26Å; D171-Y194 PolarHBondContact OD2-OH 2.8Å; D171-Y194 VanDerWaalsContact OD2-OH 3.06Å
172V98.5Very high97.1Very high62 Ų6257.3 Ų57.338%0.37630%0.302SS..EExtended strand (participates in β ladder)trans-109.9122.2-168.8-175.60000110.5V140 I142 Y155V140-V172 HydrophobicContact CB-CG2 4.23Å; V140-V172 CarbonylContact O-C 3.18Å; V140-V172 WeakPolarHBondContact O-CA 3.5Å; I142-V172 HydrophobicContact CD1-CG1 3.42Å; I142-V172 VanDerWaalsContact CD1-CG1 3.42Å; I142-V172 HydrophobicContact CG1-CG1 3.97Å; Y155-V172 HydrophobicContact CE1-CG1 4.24Å; Y155-V172 HydrophobicContact CE1-CG2 3.69Å; Y155-V172 WeakPolarHBondContact OH-CG2 3.41Å
173I98.3Very high97.1Very high37 Ų3758.5 Ų58.519%0.1931%0.308CS..EExtended strand (participates in β ladder)trans-115.6116175.7-59.2178.7000108.9L139 V140 Y141 I142 H184L139-I173 HydrophobicContact CD1-CD1 3.91Å; L139-I173 HydrophobicContact CD1-CG1 4.31Å; V140-I173 PolarHBondContact O-N 3.18Å; Y141-I173 CarbonylContact C-O 3.6Å; Y141-I173 VanDerWaalsContact CA-O 3.3Å; Y141-I173 WeakPolarHBondContact CA-O 3.21Å; Y141-I173 HydrophobicContact CD1-CB 3.82Å; Y141-I173 HydrophobicContact CD1-CD1 4.42Å; Y141-I173 HydrophobicContact CD1-CG2 3.97Å; Y141-I173 HydrophobicContact CE1-CB 4.05Å; Y141-I173 HydrophobicContact CE1-CD1 3.78Å; Y141-I173 HydrophobicContact CE1-CG1 4.45Å; Y141-I173 HydrophobicContact CE1-CG2 4.12Å; I142-I173 PolarHBondContact N-O 2.95Å; I173-H184 WeakPolarHBondContact CD1-CE1 3.49Å
174V97.8Very high97.1Very high56 Ų5659.9 Ų59.934%0.33931%0.314SS..EExtended strand (participates in β ladder)trans-83.2123170-176.90000108.2I142 P144 E152I142-V174 HydrophobicContact CB-CG2 4.41Å; P144-V174 HydrophobicContact CB-CG1 3.99Å; P144-V174 HydrophobicContact CG-CG1 3.79Å; E152-V174 HydrophobicContact CG-CG2 4.48Å
175T97.1Very high97.1Very high5 Ų553.8 Ų53.83%0.03129%0.291CS..  trans-75.6133.7-176.160.70000111.5Y141 I142 N143 P144 H180 A181 M205Y141-T175 HydrophobicContact CD1-CG2 4.4Å; I142-T175 PolarHBondContact O-N 3.09Å; I142-T175 PolarHBondContact O-OG1 3.49Å; N143-T175 WeakPolarHBondContact CA-OG1 3.29Å; P144-T175 VanDerWaalsContact CD-O 3.25Å; P144-T175 WeakPolarHBondContact CD-O 3.32Å; P144-T175 WeakPolarHBondContact CG-O 3.44Å; T175-H180 HydrophobicContact CG2-CB 4.29Å; T175-A181 HydrophobicContact CG2-CB 4.11Å; T175-M205 HydrophobicContact CG2-CE 3.82Å; T175-M205 HydrophobicContact CG2-SD 4.22Å
176E95.3Very high97.1Very high160 Ų16053.2 Ų53.275%0.74829%0.288SS*.  trans-97.5-20.7-175.7-56.4-176.6164.600113.2H180E176-H180 PolarHBondContact N-ND1 3.07Å
177R94.6Very high96.9Very high132 Ų13259.2 Ų59.250%0.49831%0.313SS..SBendtrans-149.6165.2-176.260.3173.2179.280.2-4.7111.3H180 D183R177-H180 HydrophobicContact CG-CB 3.91Å; R177-H180 VanDerWaalsContact O-CB 3.3Å; R177-H180 WeakPolarHBondContact O-CB 3.38Å; R177-H180 PolarHBondContact O-N 3.48Å; R177-D183 IonicContact CZ-OD2 3.99Å; R177-D183 VanDerWaalsContact CZ-OD2 3.26Å; R177-D183 IonicContact NH1-OD2 3.24Å; R177-D183 PolarHBondContact NH1-OD2 2.67Å; R177-D183 IonicContact NH2-OD2 3.76Å; R177-D183 PolarHBondContact NH2-OD2 3.24Å
178A92.4Very high96.8Very high71 Ų7162.7 Ų62.759%0.58731%0.312SS*.THydrogen-bonded Turntrans-57.6140.8168.300000110.4H180A178-H180 PolarHBondContact O-N 3.27Å
179N95.8Very high96.6Very high56 Ų5662.4 Ų62.430%0.29931%0.312SS..THydrogen-bonded Turntrans63.812.5-176.5-57.9-66.8000115.3R182 D183 E208N179-R182 HydrophobicContact CB-CB 4.29Å; N179-R182 VanDerWaalsContact CG-CZ 3.42Å; N179-R182 PolarHBondContact O-N 3.39Å; N179-R182 PolarHBondContact OD1-NH1 2.72Å; N179-R182 VanDerWaalsContact OD1-NH1 3.16Å; N179-D183 WeakPolarHBondContact O-CB 3.13Å; N179-D183 PolarHBondContact O-N 2.82Å; N179-E208 VanDerWaalsContact C-OE2 3.29Å; N179-E208 WeakPolarHBondContact CA-OE2 3.43Å; N179-E208 PolarHBondContact N-OE1 3.36Å; N179-E208 PolarHBondContact N-OE2 3.29Å; N179-E208 VanDerWaalsContact N-OE2 3.15Å
180H97.8Very high96.3Very high32 Ų3260.9 Ų60.915%0.14831%0.308CS..Hα-helixtrans-61.2-48179.2-174.1-165.1000111.4T175 E176 R177 A178 R182 D183 H184 E208T175-H180 HydrophobicContact CG2-CB 4.29Å; E176-H180 PolarHBondContact N-ND1 3.07Å; R177-H180 HydrophobicContact CG-CB 3.91Å; R177-H180 VanDerWaalsContact O-CB 3.3Å; R177-H180 WeakPolarHBondContact O-CB 3.38Å; R177-H180 PolarHBondContact O-N 3.48Å; A178-H180 PolarHBondContact O-N 3.27Å; H180-R182 VanDerWaalsContact C-N 3.31Å; H180-R182 PolarHBondContact O-N 2.66Å; H180-D183 PolarHBondContact O-N 2.6Å; H180-H184 WeakPolarHBondContact O-CB 3.3Å; H180-H184 PolarHBondContact O-N 2.83Å; H180-E208 PolarHBondContact N-OE2 3.46Å
181A97.9Very high96.1Very high0 Ų060.1 Ų60.10%030%0.303CS..Hα-helixtrans-64.9-40.1-179.900000111.5Y141 T175 D183 L185 M205 E208 I209Y141-A181 HydrophobicContact CD1-CB 3.51Å; Y141-A181 HydrophobicContact CD2-CB 4.23Å; Y141-A181 HydrophobicContact CE1-CB 3.87Å; Y141-A181 HydrophobicContact CG-CB 3.7Å; T175-A181 HydrophobicContact CG2-CB 4.11Å; A181-D183 PolarHBondContact O-N 3.5Å; A181-L185 WeakPolarHBondContact O-CB 3.39Å; A181-L185 WeakPolarHBondContact O-CD1 3.38Å; A181-L185 VanDerWaalsContact O-CG 3.24Å; A181-L185 WeakPolarHBondContact O-CG 3.46Å; A181-L185 PolarHBondContact O-N 3.2Å; A181-M205 HydrophobicContact CB-CE 3.47Å; A181-M205 VanDerWaalsContact CB-CE 3.47Å; A181-E208 HydrophobicContact CB-CB 4.42Å; A181-E208 PolarHBondContact N-OE2 2.82Å; A181-I209 HydrophobicContact CB-CG1 4.29Å
182R97.9Very high95.9Very high74 Ų7464.5 Ų64.528%0.27933%0.327SS..Hα-helixtrans-56.6-50.1175.1-174.6-167.573.2-176.3-0.5111.5N179 H180 K186 E208 H211N179-R182 HydrophobicContact CB-CB 4.29Å; N179-R182 VanDerWaalsContact CG-CZ 3.42Å; N179-R182 PolarHBondContact O-N 3.39Å; N179-R182 PolarHBondContact OD1-NH1 2.72Å; N179-R182 VanDerWaalsContact OD1-NH1 3.16Å; H180-R182 VanDerWaalsContact C-N 3.31Å; H180-R182 PolarHBondContact O-N 2.66Å; R182-K186 HydrophobicContact CG-CD 4.35Å; R182-K186 VanDerWaalsContact O-CG 3.29Å; R182-K186 WeakPolarHBondContact O-CG 3.2Å; R182-K186 PolarHBondContact O-N 3.05Å; R182-E208 WeakPolarHBondContact CA-O 3.42Å; R182-E208 HydrophobicContact CB-CB 4.18Å; R182-E208 WeakPolarHBondContact CB-O 3.38Å; R182-H211 HydrophobicContact CG-CB 4.14Å
183D98.1Very high95.8Very high37 Ų3765.9 Ų65.920%0.19833%0.332CS..Hα-helixtrans-71.2-41.3-174.2-59.2-18.1000111.2R177 N179 H180 A181 L185 K186 M187R177-D183 IonicContact CZ-OD2 3.99Å; R177-D183 VanDerWaalsContact CZ-OD2 3.26Å; R177-D183 IonicContact NH1-OD2 3.24Å; R177-D183 PolarHBondContact NH1-OD2 2.67Å; R177-D183 IonicContact NH2-OD2 3.76Å; R177-D183 PolarHBondContact NH2-OD2 3.24Å; N179-D183 WeakPolarHBondContact O-CB 3.13Å; N179-D183 PolarHBondContact O-N 2.82Å; H180-D183 PolarHBondContact O-N 2.6Å; A181-D183 PolarHBondContact O-N 3.5Å; D183-L185 PolarHBondContact O-N 2.99Å; D183-K186 PolarHBondContact O-N 3.08Å; D183-M187 PolarHBondContact O-N 3.14Å; D183-M187 VanDerWaalsContact O-N 3.07Å
184H98.1Very high95.7Very high30 Ų3065.8 Ų65.814%0.13933%0.329CS..Hα-helixtrans-62.1-43.5175.7-179.8-88.2000111.8Y141 I173 H180 K186 M187 E188 A189Y141-H184 HydrophobicContact CE1-CB 4.34Å; Y141-H184 AromaticContact CE1-ND1 3.87Å; Y141-H184 AromaticContact CZ-ND1 3.7Å; Y141-H184 PolarHBondContact OH-ND1 3.26Å; I173-H184 WeakPolarHBondContact CD1-CE1 3.49Å; H180-H184 WeakPolarHBondContact O-CB 3.3Å; H180-H184 PolarHBondContact O-N 2.83Å; H184-K186 VanDerWaalsContact C-N 3.28Å; H184-K186 PolarHBondContact O-N 3.27Å; H184-M187 PolarHBondContact O-N 2.96Å; H184-E188 IonicContact CD2-OE2 2.62Å; H184-E188 PolarHBondContact CD2-OE2 3.22Å; H184-E188 PolarHBondContact O-N 3.06Å; H184-A189 PolarHBondContact O-N 2.83Å
185L97.8Very high95.7Very high0 Ų066.1 Ų66.10%033%0.329CS..Hα-helixtrans-61.7-34175-76.4165.8000113.3L139 Y141 A181 D183 A189 L191 V197 I209 L213L139-L185 HydrophobicContact CD2-CD2 4.21Å; Y141-L185 HydrophobicContact CE2-CD1 4.06Å; Y141-L185 HydrophobicContact CE2-CD2 3.92Å; Y141-L185 HydrophobicContact CE2-CG 3.91Å; Y141-L185 WeakPolarHBondContact OH-CD2 3.44Å; Y141-L185 WeakPolarHBondContact OH-CG 3.24Å; A181-L185 WeakPolarHBondContact O-CB 3.39Å; A181-L185 WeakPolarHBondContact O-CD1 3.38Å; A181-L185 VanDerWaalsContact O-CG 3.24Å; A181-L185 WeakPolarHBondContact O-CG 3.46Å; A181-L185 PolarHBondContact O-N 3.2Å; D183-L185 PolarHBondContact O-N 2.99Å; L185-A189 HydrophobicContact CD2-CB 4.37Å; L185-L191 HydrophobicContact CD2-CD2 4.04Å; L185-V197 HydrophobicContact CD2-CG1 4.4Å; L185-V197 HydrophobicContact CD2-CG2 4.28Å; L185-I209 HydrophobicContact CD1-CB 4.12Å; L185-I209 HydrophobicContact CD1-CG1 4.13Å; L185-I209 HydrophobicContact CD1-CG2 3.95Å; L185-L213 HydrophobicContact CD1-CG 4.16Å; L185-L213 HydrophobicContact CD2-CD2 3.9Å; L185-L213 HydrophobicContact CD2-CG 4.27Å
186K95.6Very high95.8Very high56 Ų5665.9 Ų65.924%0.24333%0.328CS..Hα-helixtrans-73.7-40.5179.7-74.7176.9-177.4-155.10112.3R182 D183 H184 T215 R216R182-K186 HydrophobicContact CG-CD 4.35Å; R182-K186 VanDerWaalsContact O-CG 3.29Å; R182-K186 WeakPolarHBondContact O-CG 3.2Å; R182-K186 PolarHBondContact O-N 3.05Å; D183-K186 PolarHBondContact O-N 3.08Å; H184-K186 VanDerWaalsContact C-N 3.28Å; H184-K186 PolarHBondContact O-N 3.27Å; K186-T215 HydrophobicContact CD-CG2 4Å; K186-T215 VanDerWaalsContact CE-CB 3.44Å; K186-T215 WeakPolarHBondContact CE-OG1 3.43Å; K186-T215 HydrophobicContact CG-CG2 4.23Å; K186-T215 PolarHBondContact NZ-OG1 3.31Å; K186-R216 WeakPolarHBondContact O-CD 3.36Å; K186-R216 PolarHBondContact O-NH1 2.92Å
187M93.3Very high95.9Very high154 Ų15458.2 Ų58.276%0.75929%0.292SS*.Hα-helixtrans-115.2-29.8-162.1-56.6-58.9-11600114.6D183 H184D183-M187 PolarHBondContact O-N 3.14Å; D183-M187 VanDerWaalsContact O-N 3.07Å; H184-M187 PolarHBondContact O-N 2.96Å
188E93.4Very high96.1Very high137 Ų13752 Ų5264%0.6427%0.268SS*.THydrogen-bonded Turntrans-120.2-39.1-163.1-65.6173-133.400113.1H184 N190H184-E188 IonicContact CD2-OE2 2.62Å; H184-E188 PolarHBondContact CD2-OE2 3.22Å; H184-E188 PolarHBondContact O-N 3.06Å; E188-N190 PolarHBondContact O-N 2.89Å
189A93Very high96.4Very high6 Ų648.6 Ų48.65%0.0524%0.24CC..  trans-66.6127.8-175.900000111.9L139 H184 L185 L191L139-A189 HydrophobicContact CD2-CB 4.14Å; H184-A189 PolarHBondContact O-N 2.83Å; L185-A189 HydrophobicContact CD2-CB 4.37Å; A189-L191 HydrophobicContact CB-CD2 4.09Å; A189-L191 PolarHBondContact O-N 2.88Å
190N93.8Very high96.5Very high81 Ų8145.9 Ų45.943%0.43323%0.226SC..  trans-82103.6164.4-17618.9000109.2E188 D192 D193 Y194E188-N190 PolarHBondContact O-N 2.89Å; N190-D192 VanDerWaalsContact C-N 3.27Å; N190-D192 PolarHBondContact O-N 3.02Å; N190-D193 WeakPolarHBondContact CB-OD2 3.29Å; N190-D193 PolarHBondContact ND2-OD1 2.99Å; N190-D193 PolarHBondContact ND2-OD2 3.49Å; N190-D193 PolarHBondContact O-N 3.48Å; N190-Y194 VanDerWaalsContact O-CD2 3.29Å; N190-Y194 WeakPolarHBondContact O-CD2 3.38Å; N190-Y194 VanDerWaalsContact O-CE2 3.32Å; N190-Y194 WeakPolarHBondContact O-CE2 3.19Å
191L94.1Very high96.3Very high18 Ų1844.4 Ų44.49%0.09422%0.219CC..G310 helixtrans-70.2-23-173.3-63.9-171.6000113.3L185 A189 D193 Y194 L213 R216 I217 L237L185-L191 HydrophobicContact CD2-CD2 4.04Å; A189-L191 HydrophobicContact CB-CD2 4.09Å; A189-L191 PolarHBondContact O-N 2.88Å; L191-D193 PolarHBondContact O-N 3.12Å; L191-Y194 PolarHBondContact O-N 3.43Å; L191-L213 HydrophobicContact CD1-CD2 4.01Å; L191-L213 HydrophobicContact CD2-CD2 3.96Å; L191-R216 HydrophobicContact CD1-CB 4.44Å; L191-R216 HydrophobicContact CD1-CG 3.72Å; L191-I217 HydrophobicContact CD1-CD1 4.23Å; L191-L237 HydrophobicContact CB-CD1 3.86Å; L191-L237 HydrophobicContact CD1-CD1 4.3Å; L191-L237 HydrophobicContact CD2-CD1 3.93Å; L191-L237 HydrophobicContact CG-CD1 4.24Å
192D94.2Very high96Very high151 Ų15145 Ų4581%0.80723%0.226SC*.G310 helixtrans-69.9-16.9-178.3-65.8-28.3000113.4N190 Y194N190-D192 VanDerWaalsContact C-N 3.27Å; N190-D192 PolarHBondContact O-N 3.02Å; D192-Y194 VanDerWaalsContact C-N 3.28Å; D192-Y194 PolarHBondContact O-N 2.94Å
193D95.3Very high95.7Very high91 Ų9142.8 Ų42.849%0.48722%0.219SC..G310 helixtrans-79.8-10.3-179.6-65.2-28.4000112.9N137 N190 L191N137-D193 WeakPolarHBondContact CB-O 3.5Å; N190-D193 WeakPolarHBondContact CB-OD2 3.29Å; N190-D193 PolarHBondContact ND2-OD1 2.99Å; N190-D193 PolarHBondContact ND2-OD2 3.49Å; N190-D193 PolarHBondContact O-N 3.48Å; L191-D193 PolarHBondContact O-N 3.12Å
194Y97.6Very high95.4Very high35 Ų3543 Ų4314%0.13723%0.23CC..  trans-124.4146.8-168.9-55.7-76.9000112.9N137 L139 D171 N190 L191 D192 G196 L237N137-Y194 HydrophobicContact CB-CD1 4.41Å; L139-Y194 HydrophobicContact CB-CD1 3.76Å; L139-Y194 HydrophobicContact CB-CD2 4.12Å; L139-Y194 HydrophobicContact CB-CE1 3.77Å; L139-Y194 HydrophobicContact CB-CE2 4.16Å; L139-Y194 HydrophobicContact CB-CG 3.92Å; L139-Y194 HydrophobicContact CD1-CE1 4.34Å; L139-Y194 HydrophobicContact CD2-CD2 4.43Å; L139-Y194 HydrophobicContact CD2-CE2 4.11Å; D171-Y194 HydrophobicContact CB-CE1 3.95Å; D171-Y194 VanDerWaalsContact OD2-CE1 3.3Å; D171-Y194 WeakPolarHBondContact OD2-CE1 3.26Å; D171-Y194 PolarHBondContact OD2-OH 2.8Å; D171-Y194 VanDerWaalsContact OD2-OH 3.06Å; N190-Y194 VanDerWaalsContact O-CD2 3.29Å; N190-Y194 WeakPolarHBondContact O-CD2 3.38Å; N190-Y194 VanDerWaalsContact O-CE2 3.32Å; N190-Y194 WeakPolarHBondContact O-CE2 3.19Å; L191-Y194 PolarHBondContact O-N 3.43Å; D192-Y194 VanDerWaalsContact C-N 3.28Å; D192-Y194 PolarHBondContact O-N 2.94Å; Y194-G196 VanDerWaalsContact C-N 3.34Å; Y194-L237 WeakPolarHBondContact O-CD2 3.39Å
195D97.4Very high95.3Very high62 Ų6241.6 Ų41.633%0.33222%0.224SC..SBendtrans-88.9-7.5172.6-58.7-62.6000112.5P135 K136 N137P135-D195 HydrophobicContact CB-CB 3.81Å; K136-D195 WeakPolarHBondContact CA-OD2 3.28Å; K136-D195 PolarHBondContact N-OD2 3.28Å; N137-D195 PolarHBondContact N-OD2 3.27Å; N137-D195 PolarHBondContact O-N 3.2Å
196G98.1Very high95.2Very high0 Ų041.7 Ų41.70%022%0.224CC..EExtended strand (participates in β ladder)trans172.6171.2177.700000113.8L139 Y194 R238L139-G196 PolarHBondContact N-O 2.77Å; L139-G196 VanDerWaalsContact N-O 3.16Å; Y194-G196 VanDerWaalsContact C-N 3.34Å; G196-R238 CarbonylContact C-O 3.59Å; G196-R238 VanDerWaalsContact CA-O 3.24Å; G196-R238 WeakPolarHBondContact CA-O 3.36Å
197V98.6Very high95.3Very high0 Ų039.3 Ų39.30%022%0.215CC..EExtended strand (participates in β ladder)trans-120.8135.3-178.2-173.10000109.4L139 Y141 L185 I209 L213 L237 R238 I239 G240L139-V197 HydrophobicContact CB-CG1 4.48Å; L139-V197 HydrophobicContact CB-CG2 4.46Å; L139-V197 CarbonylContact O-C 3.6Å; L139-V197 VanDerWaalsContact O-CA 3.31Å; L139-V197 WeakPolarHBondContact O-CA 3.48Å; L139-V197 WeakPolarHBondContact O-CG1 3.39Å; Y141-V197 HydrophobicContact CD2-CG1 3.76Å; Y141-V197 HydrophobicContact CE2-CG1 3.64Å; L185-V197 HydrophobicContact CD2-CG1 4.4Å; L185-V197 HydrophobicContact CD2-CG2 4.28Å; V197-I209 HydrophobicContact CB-CG2 4.34Å; V197-I209 HydrophobicContact CG1-CD1 3.89Å; V197-I209 HydrophobicContact CG1-CG2 3.91Å; V197-L213 HydrophobicContact CB-CD1 4.21Å; V197-L213 HydrophobicContact CG2-CD1 4.07Å; V197-L213 HydrophobicContact CG2-CD2 4.1Å; V197-L237 HydrophobicContact CG2-CD1 4.16Å; V197-R238 PolarHBondContact N-O 2.92Å; V197-I239 CarbonylContact O-C 3.48Å; V197-I239 VanDerWaalsContact O-CA 3.26Å; V197-I239 WeakPolarHBondContact O-CA 3.49Å; V197-G240 PolarHBondContact O-N 3.46Å
198V98.8Very high95.5Very high0 Ų033.1 Ų33.10%018%0.184CC..EExtended strand (participates in β ladder)trans-117.9126.1-176.8-177.30000110.6L138 L139 V140 Y141 G240 I242 I267L138-V198 HydrophobicContact CB-CG2 4.32Å; L138-V198 HydrophobicContact CD1-CG2 3.94Å; L138-V198 HydrophobicContact CD2-CG2 4.31Å; L138-V198 HydrophobicContact CG-CG2 4.44Å; L139-V198 PolarHBondContact O-N 3.04Å; V140-V198 CarbonylContact C-O 3.28Å; V140-V198 WeakPolarHBondContact CA-O 3.49Å; V140-V198 HydrophobicContact CG1-CB 4.38Å; V140-V198 HydrophobicContact CG1-CG1 4.5Å; V140-V198 HydrophobicContact CG2-CB 4.18Å; Y141-V198 PolarHBondContact N-O 3.45Å; V198-G240 CarbonylContact C-O 3.54Å; V198-G240 VanDerWaalsContact CA-O 3.3Å; V198-G240 WeakPolarHBondContact CA-O 3.42Å; V198-I242 HydrophobicContact CG1-CG1 3.72Å; V198-I267 HydrophobicContact CG1-CD1 4.07Å; V198-I267 HydrophobicContact CG2-CD1 4.12Å
199C97.3Very high95.7Very high0 Ų026.6 Ų26.60%015%0.153CC..EExtended strand (participates in β ladder)trans-91.9131.1165.154.60000111.1M205 I209 G240 I242C199-M205 HydrophobicContact CB-CB 4.32Å; C199-M205 HydrophobicContact CB-CG 3.65Å; C199-I209 HydrophobicContact CB-CD1 3.47Å; C199-I209 VanDerWaalsContact CB-CD1 3.47Å; C199-I209 HydrophobicContact CB-CG1 4.42Å; C199-G240 PolarHBondContact N-O 2.82Å; C199-G240 PolarHBondContact SG-O 3.26Å; C199-G240 VanDerWaalsContact SG-O 3.35Å; C199-I242 PolarHBondContact O-N 2.93Å
200V97.8Very high95.9Very high0 Ų026.3 Ų26.30%015%0.151CC..EExtended strand (participates in β ladder)trans-105.6100163.1-172.60000108.2V140 Y141 I142 N143 G151 Y155 I242 A244V140-V200 HydrophobicContact CG1-CG2 3.81Å; Y141-V200 PolarHBondContact O-N 2.74Å; I142-V200 HydrophobicContact CB-CB 4.36Å; I142-V200 HydrophobicContact CG1-CB 4.05Å; I142-V200 HydrophobicContact CG1-CG2 4.02Å; I142-V200 HydrophobicContact CG2-CB 4.25Å; I142-V200 HydrophobicContact CG2-CG1 4.38Å; N143-V200 PolarHBondContact N-O 3.5Å; G151-V200 WeakPolarHBondContact O-CG1 3.32Å; Y155-V200 HydrophobicContact CD2-CG2 3.82Å; Y155-V200 HydrophobicContact CG-CG2 4.4Å; V200-I242 HydrophobicContact CB-CB 4.34Å; V200-I242 HydrophobicContact CG1-CB 4.29Å; V200-I242 HydrophobicContact CG1-CG2 3.99Å; V200-I242 HydrophobicContact CG2-CB 4Å; V200-I242 HydrophobicContact CG2-CG1 4.19Å; V200-I242 HydrophobicContact CG2-CG2 4.35Å; V200-A244 HydrophobicContact CG1-CB 4.27Å
201G94Very high96.2Very high1 Ų123.2 Ų23.21%0.0113%0.134CC..EExtended strand (participates in β ladder)trans172.8-161.7-170.700000112.4I242 A244 G245G201-I242 PolarHBondContact N-O 2.76Å; G201-I242 VanDerWaalsContact N-O 3.14Å; G201-A244 PolarHBondContact O-N 3.04Å; G201-G245 PolarHBondContact O-N 3.04Å
202G91.3Very high96.3Very high13 Ų1322.4 Ų22.413%0.13413%0.129CC..SBendtrans-103.8-165.7169.700000112.8G204 M205 F206 D248G202-G204 PolarHBondContact O-N 2.86Å; G202-G204 VanDerWaalsContact O-N 3.13Å; G202-M205 WeakPolarHBondContact O-CB 3.34Å; G202-M205 PolarHBondContact O-N 3.16Å; G202-F206 PolarHBondContact O-N 2.8Å; G202-D248 WeakPolarHBondContact CA-OD1 3.4Å
203D91.9Very high96.5Very high26 Ų2615.3 Ų15.314%0.1399%0.091CC..Hα-helixtrans-54.7-35.4-175.9-54-53000112.9M205 F206 S207 D248 C249 I250D203-M205 PolarHBondContact O-N 3.23Å; D203-F206 WeakPolarHBondContact O-CB 3.31Å; D203-F206 PolarHBondContact O-N 3.37Å; D203-S207 WeakPolarHBondContact O-CB 3.21Å; D203-S207 PolarHBondContact O-N 3.5Å; D203-D248 PolarHBondContact OD2-N 3.42Å; D203-C249 PolarHBondContact OD1-N 3.38Å; D203-C249 PolarHBondContact OD2-N 3.25Å; D203-C249 VanDerWaalsContact OD2-N 3.1Å; D203-I250 HydrophobicContact CB-CD1 4.13Å; D203-I250 WeakPolarHBondContact OD1-CG1 3.27Å; D203-I250 PolarHBondContact OD1-N 2.88Å; D203-I250 VanDerWaalsContact OD1-N 3.08Å
204G92.8Very high96.6Very high41 Ų4111 Ų1142%0.4237%0.068SC..Hα-helixtrans-66.1-34175.400000114.4G202 S207 E208G202-G204 PolarHBondContact O-N 2.86Å; G202-G204 VanDerWaalsContact O-N 3.13Å; G204-S207 WeakPolarHBondContact O-CB 3.24Å; G204-S207 PolarHBondContact O-N 2.84Å; G204-E208 PolarHBondContact O-N 3.21Å
205M95.3Very high96.6Very high2 Ų210.1 Ų10.11%0.017%0.067CC..Hα-helixtrans-70.5-39.2175.4-173.264-152.600111Y141 N143 T175 A181 C199 G202 D203 S207 E208 I209Y141-M205 HydrophobicContact CG-CE 4.08Å; N143-M205 HydrophobicContact CB-CB 4.48Å; N143-M205 HydrophobicContact CB-CG 4.25Å; N143-M205 HydrophobicContact CB-SD 3.84Å; T175-M205 HydrophobicContact CG2-CE 3.82Å; T175-M205 HydrophobicContact CG2-SD 4.22Å; A181-M205 HydrophobicContact CB-CE 3.47Å; A181-M205 VanDerWaalsContact CB-CE 3.47Å; C199-M205 HydrophobicContact CB-CB 4.32Å; C199-M205 HydrophobicContact CB-CG 3.65Å; G202-M205 WeakPolarHBondContact O-CB 3.34Å; G202-M205 PolarHBondContact O-N 3.16Å; D203-M205 PolarHBondContact O-N 3.23Å; M205-S207 VanDerWaalsContact C-N 3.34Å; M205-E208 PolarHBondContact O-N 3.3Å; M205-I209 HydrophobicContact CE-CD1 4.2Å; M205-I209 HydrophobicContact CE-CG1 4.19Å; M205-I209 PolarHBondContact O-N 3.37Å
206F96.8Very high96.5Very high2 Ų210.5 Ų10.51%0.0096%0.064CC..Hα-helixtrans-60.5-44.7170.5169.1-90000111.2G202 D203 E208 I209 L210 I239 I241 I250 M275 V291 I529 L531G202-F206 PolarHBondContact O-N 2.8Å; D203-F206 WeakPolarHBondContact O-CB 3.31Å; D203-F206 PolarHBondContact O-N 3.37Å; F206-E208 VanDerWaalsContact C-N 3.34Å; F206-E208 PolarHBondContact O-N 3.38Å; F206-I209 PolarHBondContact O-N 2.95Å; F206-I209 VanDerWaalsContact O-N 3.16Å; F206-L210 HydrophobicContact CE1-CB 4.25Å; F206-L210 HydrophobicContact CE1-CD2 4.06Å; F206-L210 HydrophobicContact CZ-CB 4.45Å; F206-L210 WeakPolarHBondContact O-CB 3.48Å; F206-L210 PolarHBondContact O-N 3.32Å; F206-I239 HydrophobicContact CD2-CG2 3.89Å; F206-I239 HydrophobicContact CE2-CB 4.41Å; F206-I239 HydrophobicContact CE2-CD1 4.18Å; F206-I239 HydrophobicContact CE2-CG2 3.87Å; F206-I241 HydrophobicContact CD2-CD1 3.55Å; F206-I241 HydrophobicContact CD2-CG1 3.77Å; F206-I241 HydrophobicContact CE2-CD1 3.89Å; F206-I241 HydrophobicContact CE2-CG1 4.34Å; F206-I241 HydrophobicContact CG-CD1 4.24Å; F206-I250 HydrophobicContact CD1-CD1 3.36Å; F206-I250 HydrophobicContact CE1-CD1 3.73Å; F206-I250 HydrophobicContact CG-CD1 4.09Å; F206-M275 HydrophobicContact CE1-CE 4.44Å; F206-M275 HydrophobicContact CZ-CE 3.9Å; F206-V291 HydrophobicContact CD1-CG2 4.39Å; F206-V291 HydrophobicContact CE1-CB 4.49Å; F206-V291 HydrophobicContact CE1-CG1 4.22Å; F206-V291 HydrophobicContact CE1-CG2 3.6Å; F206-V291 HydrophobicContact CZ-CG2 4.36Å; F206-I529 HydrophobicContact CZ-CD1 3.86Å; F206-L531 HydrophobicContact CE2-CD2 3.76Å; F206-L531 HydrophobicContact CZ-CD2 4.36Å
207S96.3Very high96.4Very high6 Ų611.5 Ų11.54%0.0427%0.069CC..Hα-helixtrans-55.7-45.2176.3176.10000111.7D203 G204 M205 I209 L210 H211 E513D203-S207 WeakPolarHBondContact O-CB 3.21Å; D203-S207 PolarHBondContact O-N 3.5Å; G204-S207 WeakPolarHBondContact O-CB 3.24Å; G204-S207 PolarHBondContact O-N 2.84Å; M205-S207 VanDerWaalsContact C-N 3.34Å; S207-I209 PolarHBondContact O-N 3.45Å; S207-L210 PolarHBondContact O-N 3.5Å; S207-H211 PolarHBondContact O-N 2.93Å; S207-H211 PolarHBondContact O-ND1 2.93Å; S207-H211 PolarHBondContact OG-ND1 3.01Å; S207-E513 PolarHBondContact OG-OE1 3.09Å
208E97.3Very high96.4Very high23 Ų2311.5 Ų11.511%0.1077%0.069CC..Hα-helixtrans-59-46175.9-72.8-168.8-158.400112.6N179 H180 A181 R182 G204 M205 F206 G212N179-E208 VanDerWaalsContact C-OE2 3.29Å; N179-E208 WeakPolarHBondContact CA-OE2 3.43Å; N179-E208 PolarHBondContact N-OE1 3.36Å; N179-E208 PolarHBondContact N-OE2 3.29Å; N179-E208 VanDerWaalsContact N-OE2 3.15Å; H180-E208 PolarHBondContact N-OE2 3.46Å; A181-E208 HydrophobicContact CB-CB 4.42Å; A181-E208 PolarHBondContact N-OE2 2.82Å; R182-E208 WeakPolarHBondContact CA-O 3.42Å; R182-E208 HydrophobicContact CB-CB 4.18Å; R182-E208 WeakPolarHBondContact CB-O 3.38Å; G204-E208 PolarHBondContact O-N 3.21Å; M205-E208 PolarHBondContact O-N 3.3Å; F206-E208 VanDerWaalsContact C-N 3.34Å; F206-E208 PolarHBondContact O-N 3.38Å; E208-G212 PolarHBondContact O-N 2.78Å
209I98.1Very high96.2Very high0 Ų015.8 Ų15.80%010%0.095CC..Hα-helixtrans-65.8-45179.2-66.2-171.8000111.2Y141 A181 L185 V197 C199 M205 F206 S207 H211 G212 L213 I239Y141-I209 HydrophobicContact CD2-CD1 3.73Å; Y141-I209 HydrophobicContact CD2-CG1 4.22Å; Y141-I209 HydrophobicContact CG-CD1 4.37Å; A181-I209 HydrophobicContact CB-CG1 4.29Å; L185-I209 HydrophobicContact CD1-CB 4.12Å; L185-I209 HydrophobicContact CD1-CG1 4.13Å; L185-I209 HydrophobicContact CD1-CG2 3.95Å; V197-I209 HydrophobicContact CB-CG2 4.34Å; V197-I209 HydrophobicContact CG1-CD1 3.89Å; V197-I209 HydrophobicContact CG1-CG2 3.91Å; C199-I209 HydrophobicContact CB-CD1 3.47Å; C199-I209 VanDerWaalsContact CB-CD1 3.47Å; C199-I209 HydrophobicContact CB-CG1 4.42Å; M205-I209 HydrophobicContact CE-CD1 4.2Å; M205-I209 HydrophobicContact CE-CG1 4.19Å; M205-I209 PolarHBondContact O-N 3.37Å; F206-I209 PolarHBondContact O-N 2.95Å; F206-I209 VanDerWaalsContact O-N 3.16Å; S207-I209 PolarHBondContact O-N 3.45Å; I209-H211 PolarHBondContact O-N 3.16Å; I209-G212 PolarHBondContact O-N 3.18Å; I209-L213 HydrophobicContact CG2-CD1 3.7Å; I209-L213 HydrophobicContact CG2-CG 4.24Å; I209-L213 WeakPolarHBondContact O-CB 3.42Å; I209-L213 PolarHBondContact O-N 3.38Å; I209-I239 HydrophobicContact CG2-CD1 4.25Å; I209-I239 HydrophobicContact CG2-CG1 4.35Å; I209-I239 HydrophobicContact CG2-CG2 4.22Å
210L98.3Very high96.1Very high1 Ų120 Ų201%0.00512%0.117CC..Hα-helixtrans-54-53.6176.6174.665000110.8F206 S207 G212 V214 V277 V291 I529F206-L210 HydrophobicContact CE1-CB 4.25Å; F206-L210 HydrophobicContact CE1-CD2 4.06Å; F206-L210 HydrophobicContact CZ-CB 4.45Å; F206-L210 WeakPolarHBondContact O-CB 3.48Å; F206-L210 PolarHBondContact O-N 3.32Å; S207-L210 PolarHBondContact O-N 3.5Å; L210-G212 VanDerWaalsContact C-N 3.31Å; L210-G212 PolarHBondContact O-N 2.87Å; L210-V214 HydrophobicContact CD1-CG2 3.71Å; L210-V214 HydrophobicContact CG-CG2 4.45Å; L210-V214 WeakPolarHBondContact O-CB 3.47Å; L210-V214 VanDerWaalsContact O-CG2 3.28Å; L210-V214 WeakPolarHBondContact O-CG2 3.43Å; L210-V214 PolarHBondContact O-N 2.77Å; L210-V277 HydrophobicContact CD1-CG2 4.3Å; L210-V277 HydrophobicContact CD2-CG1 4.44Å; L210-V291 HydrophobicContact CD2-CG1 3.58Å; L210-I529 HydrophobicContact CD1-CD1 3.68Å; L210-I529 HydrophobicContact CD1-CG2 3.69Å
211H98.1Very high96Very high16 Ų1625.4 Ų25.47%0.07414%0.143CC..Hα-helixtrans-65.3-36.7-179.2-72.584.2000111.9R182 S207 I209 T215 K288 Y289R182-H211 HydrophobicContact CG-CB 4.14Å; S207-H211 PolarHBondContact O-N 2.93Å; S207-H211 PolarHBondContact O-ND1 2.93Å; S207-H211 PolarHBondContact OG-ND1 3.01Å; I209-H211 PolarHBondContact O-N 3.16Å; H211-T215 WeakPolarHBondContact O-CB 3.45Å; H211-T215 PolarHBondContact O-N 3.03Å; H211-T215 PolarHBondContact O-OG1 2.86Å; H211-K288 WeakPolarHBondContact NE2-CG 3.39Å; H211-Y289 AromaticContact CD2-CD2 3.76Å; H211-Y289 PolarHBondContact NE2-N 3.45Å
212G97.9Very high96.1Very high0 Ų028.7 Ų28.70%018%0.176CC..Hα-helixtrans-61.8-56.7176.600000111.7E208 I209 L210 R216E208-G212 PolarHBondContact O-N 2.78Å; I209-G212 PolarHBondContact O-N 3.18Å; L210-G212 VanDerWaalsContact C-N 3.31Å; L210-G212 PolarHBondContact O-N 2.87Å; G212-R216 WeakPolarHBondContact O-CB 3.35Å; G212-R216 PolarHBondContact O-N 2.93Å
213L97.5Very high96.4Very high2 Ų229.7 Ų29.71%0.0118%0.18CC..Hα-helixtrans-63.2-53.2-178.9-76.8174.6000112.4L185 L191 V197 I209 T215 R216 I217 L237 I239L185-L213 HydrophobicContact CD1-CG 4.16Å; L185-L213 HydrophobicContact CD2-CD2 3.9Å; L185-L213 HydrophobicContact CD2-CG 4.27Å; L191-L213 HydrophobicContact CD1-CD2 4.01Å; L191-L213 HydrophobicContact CD2-CD2 3.96Å; V197-L213 HydrophobicContact CB-CD1 4.21Å; V197-L213 HydrophobicContact CG2-CD1 4.07Å; V197-L213 HydrophobicContact CG2-CD2 4.1Å; I209-L213 HydrophobicContact CG2-CD1 3.7Å; I209-L213 HydrophobicContact CG2-CG 4.24Å; I209-L213 WeakPolarHBondContact O-CB 3.42Å; I209-L213 PolarHBondContact O-N 3.38Å; L213-T215 VanDerWaalsContact C-N 3.33Å; L213-T215 PolarHBondContact O-N 2.84Å; L213-R216 WeakPolarHBondContact O-CB 3.48Å; L213-R216 PolarHBondContact O-N 3.43Å; L213-R216 VanDerWaalsContact O-N 3.12Å; L213-I217 WeakPolarHBondContact O-CG1 3.39Å; L213-I217 PolarHBondContact O-N 2.98Å; L213-L237 HydrophobicContact CD2-CD1 4.14Å; L213-I239 HydrophobicContact CD1-CD1 3.94Å; L213-I239 HydrophobicContact CD1-CG1 3.75Å
214V97.6Very high96.5Very high0 Ų032.1 Ų32.10%019%0.193CC..Hα-helixtrans-62-44.5-1761760000110.3L210 R216 I217 Q218 Y289 L528 I529L210-V214 HydrophobicContact CD1-CG2 3.71Å; L210-V214 HydrophobicContact CG-CG2 4.45Å; L210-V214 WeakPolarHBondContact O-CB 3.47Å; L210-V214 VanDerWaalsContact O-CG2 3.28Å; L210-V214 WeakPolarHBondContact O-CG2 3.43Å; L210-V214 PolarHBondContact O-N 2.77Å; V214-R216 VanDerWaalsContact C-N 3.31Å; V214-R216 PolarHBondContact O-N 3.15Å; V214-I217 PolarHBondContact O-N 2.74Å; V214-Q218 HydrophobicContact CG1-CG 4.15Å; V214-Q218 WeakPolarHBondContact O-CB 3.29Å; V214-Q218 VanDerWaalsContact O-CG 3.24Å; V214-Q218 WeakPolarHBondContact O-CG 3.32Å; V214-Q218 PolarHBondContact O-N 3.41Å; V214-Y289 HydrophobicContact CB-CD2 4.4Å; V214-Y289 HydrophobicContact CB-CE2 3.93Å; V214-Y289 HydrophobicContact CG1-CD2 4.27Å; V214-Y289 HydrophobicContact CG1-CE1 4.23Å; V214-Y289 HydrophobicContact CG1-CE2 3.48Å; V214-Y289 VanDerWaalsContact CG1-CE2 3.48Å; V214-Y289 VanDerWaalsContact CG1-CZ 3.46Å; V214-Y289 WeakPolarHBondContact CG1-OH 3.46Å; V214-L528 HydrophobicContact CG1-CD2 3.95Å; V214-L528 HydrophobicContact CG2-CD2 4.2Å; V214-I529 HydrophobicContact CG2-CG2 4.01Å
215T96.8Very high96.5Very high17 Ų1731.4 Ų31.410%0.10418%0.178CC..Hα-helixtrans-60.2-43.3176.5-60.60000111.4K186 H211 L213 Q218 T219K186-T215 HydrophobicContact CD-CG2 4Å; K186-T215 VanDerWaalsContact CE-CB 3.44Å; K186-T215 WeakPolarHBondContact CE-OG1 3.43Å; K186-T215 HydrophobicContact CG-CG2 4.23Å; K186-T215 PolarHBondContact NZ-OG1 3.31Å; H211-T215 WeakPolarHBondContact O-CB 3.45Å; H211-T215 PolarHBondContact O-N 3.03Å; H211-T215 PolarHBondContact O-OG1 2.86Å; L213-T215 VanDerWaalsContact C-N 3.33Å; L213-T215 PolarHBondContact O-N 2.84Å; T215-Q218 PolarHBondContact O-N 2.76Å; T215-T219 WeakPolarHBondContact O-CB 3.31Å; T215-T219 PolarHBondContact O-N 2.89Å; T215-T219 PolarHBondContact O-OG1 3.13Å
216R96.3Very high96.5Very high71 Ų7134.4 Ų34.427%0.26819%0.194SC..Hα-helixtrans-60-51.8179.6177.659.5-172.3-139.8-0.2110.7K186 L191 G212 L213 V214 Q218 T219 D220K186-R216 WeakPolarHBondContact O-CD 3.36Å; K186-R216 PolarHBondContact O-NH1 2.92Å; L191-R216 HydrophobicContact CD1-CB 4.44Å; L191-R216 HydrophobicContact CD1-CG 3.72Å; G212-R216 WeakPolarHBondContact O-CB 3.35Å; G212-R216 PolarHBondContact O-N 2.93Å; L213-R216 WeakPolarHBondContact O-CB 3.48Å; L213-R216 PolarHBondContact O-N 3.43Å; L213-R216 VanDerWaalsContact O-N 3.12Å; V214-R216 VanDerWaalsContact C-N 3.31Å; V214-R216 PolarHBondContact O-N 3.15Å; R216-Q218 PolarHBondContact O-N 3.04Å; R216-T219 PolarHBondContact O-N 2.8Å; R216-D220 IonicContact CZ-OD1 2.61Å; R216-D220 IonicContact CZ-OD2 2.65Å; R216-D220 VanDerWaalsContact NE-CG 3.34Å; R216-D220 IonicContact NE-OD1 2.79Å; R216-D220 PolarHBondContact NE-OD1 3.32Å; R216-D220 VanDerWaalsContact NE-OD1 3.11Å; R216-D220 IonicContact NE-OD2 3.35Å; R216-D220 PolarHBondContact NE-OD2 3.41Å; R216-D220 IonicContact NH2-OD1 3.27Å; R216-D220 IonicContact NH2-OD2 3.87Å; R216-D220 VanDerWaalsContact O-CG 3.28Å; R216-D220 PolarHBondContact O-N 3.46Å
217I96.6Very high96.2Very high20 Ų2039.7 Ų39.710%0.10322%0.219CC..Hα-helixtrans-60.3-44.9179.6-64.1-58.1000111.7L191 L213 V214 T219 D220 H221 V233L191-I217 HydrophobicContact CD1-CD1 4.23Å; L213-I217 WeakPolarHBondContact O-CG1 3.39Å; L213-I217 PolarHBondContact O-N 2.98Å; V214-I217 PolarHBondContact O-N 2.74Å; I217-T219 VanDerWaalsContact C-N 3.34Å; I217-T219 PolarHBondContact O-N 2.93Å; I217-D220 PolarHBondContact O-N 3.34Å; I217-H221 PolarHBondContact O-N 3.42Å; I217-H221 VanDerWaalsContact O-N 3.16Å; I217-H221 PolarHBondContact O-ND1 3Å; I217-V233 HydrophobicContact CG2-CB 4.07Å; I217-V233 HydrophobicContact CG2-CG1 3.93Å
218Q96.9Very high95.7Very high0 Ų040.1 Ų40.10%022%0.222CC..Hα-helixtrans-63.1-41.4177.5-64.9-26.4-63.100111.8V214 T215 R216 H221 G222 V223 Q225 L232 V233V214-Q218 HydrophobicContact CG1-CG 4.15Å; V214-Q218 WeakPolarHBondContact O-CB 3.29Å; V214-Q218 VanDerWaalsContact O-CG 3.24Å; V214-Q218 WeakPolarHBondContact O-CG 3.32Å; V214-Q218 PolarHBondContact O-N 3.41Å; T215-Q218 PolarHBondContact O-N 2.76Å; R216-Q218 PolarHBondContact O-N 3.04Å; Q218-H221 CarbonylContact O-C 3.59Å; Q218-H221 PolarHBondContact O-N 2.96Å; Q218-G222 PolarHBondContact O-N 2.9Å; Q218-V223 HydrophobicContact CB-CB 4.14Å; Q218-V223 PolarHBondContact O-N 3.5Å; Q218-Q225 HydrophobicContact CB-CG 3.93Å; Q218-Q225 HydrophobicContact CG-CG 3.86Å; Q218-L232 HydrophobicContact CG-CD2 4.21Å; Q218-V233 PolarHBondContact NE2-O 2.89Å
219T95.3Very high95.2Very high90 Ų9044.2 Ų44.255%0.55225%0.245SC*.Hα-helixtrans-64.1-46.4179-56.10000111T215 R216 I217 H221 G222T215-T219 WeakPolarHBondContact O-CB 3.31Å; T215-T219 PolarHBondContact O-N 2.89Å; T215-T219 PolarHBondContact O-OG1 3.13Å; R216-T219 PolarHBondContact O-N 2.8Å; I217-T219 VanDerWaalsContact C-N 3.34Å; I217-T219 PolarHBondContact O-N 2.93Å; T219-H221 PolarHBondContact O-N 3.01Å; T219-G222 PolarHBondContact O-N 3.33Å
220D95.3Very high94.8Very high88 Ų8845.2 Ų45.247%0.47125%0.253SS..Hα-helixtrans-62.5-27.3179.7-69-12.2000112R216 I217R216-D220 IonicContact CZ-OD1 2.61Å; R216-D220 IonicContact CZ-OD2 2.65Å; R216-D220 VanDerWaalsContact NE-CG 3.34Å; R216-D220 IonicContact NE-OD1 2.79Å; R216-D220 PolarHBondContact NE-OD1 3.32Å; R216-D220 VanDerWaalsContact NE-OD1 3.11Å; R216-D220 IonicContact NE-OD2 3.35Å; R216-D220 PolarHBondContact NE-OD2 3.41Å; R216-D220 IonicContact NH2-OD1 3.27Å; R216-D220 IonicContact NH2-OD2 3.87Å; R216-D220 VanDerWaalsContact O-CG 3.28Å; R216-D220 PolarHBondContact O-N 3.46Å; I217-D220 PolarHBondContact O-N 3.34Å
221H96.1Very high94.4Very high115 Ų11551.8 Ų51.853%0.53228%0.284SS..THydrogen-bonded Turntrans-973.5176.3-67.878.5000114.2I217 Q218 T219 V223 V233I217-H221 PolarHBondContact O-N 3.42Å; I217-H221 VanDerWaalsContact O-N 3.16Å; I217-H221 PolarHBondContact O-ND1 3Å; Q218-H221 CarbonylContact O-C 3.59Å; Q218-H221 PolarHBondContact O-N 2.96Å; T219-H221 PolarHBondContact O-N 3.01Å; H221-V223 VanDerWaalsContact C-N 3.32Å; H221-V223 HydrophobicContact CB-CG2 4.33Å; H221-V223 PolarHBondContact O-N 2.93Å; H221-V233 HydrophobicContact CB-CG2 3.88Å
222G96.4Very high94.3Very high70 Ų7051.7 Ų51.772%0.72228%0.283SS*.THydrogen-bonded Turntrans69.123.6178.400000115.1Q218 T219Q218-G222 PolarHBondContact O-N 2.9Å; T219-G222 PolarHBondContact O-N 3.33Å
223V96.4Very high94.2Very high34 Ų3453.5 Ų53.521%0.20630%0.295CS..  trans-86.8119.9178.1179.40000110.4Q218 H221 Q225 A230 L232 V233Q218-V223 HydrophobicContact CB-CB 4.14Å; Q218-V223 PolarHBondContact O-N 3.5Å; H221-V223 VanDerWaalsContact C-N 3.32Å; H221-V223 HydrophobicContact CB-CG2 4.33Å; H221-V223 PolarHBondContact O-N 2.93Å; V223-Q225 PolarHBondContact O-N 3.07Å; V223-A230 HydrophobicContact CG1-CB 4.08Å; V223-L232 HydrophobicContact CG1-CD2 3.81Å; V223-V233 HydrophobicContact CG2-CG2 4.06Å
224D94.5Very high94.1Very high76 Ų7657.2 Ų57.241%0.40632%0.318SS..  trans-78.8108.1174.1179.315.6000110.9N226 Q227D224-N226 PolarHBondContact O-N 2.63Å; D224-N226 WeakPolarHBondContact OD1-CB 3.47Å; D224-N226 PolarHBondContact OD1-N 2.81Å; D224-N226 PolarHBondContact OD1-ND2 3.35Å; D224-Q227 HydrophobicContact CB-CG 4.18Å; D224-Q227 WeakPolarHBondContact O-CB 3.48Å; D224-Q227 PolarHBondContact O-N 3.43Å
225Q93.4Very high93.9Very high26 Ų2657.4 Ų57.412%0.12132%0.32CS..THydrogen-bonded Turntrans-66.5-17.4-179.6-68.817291.500113.4Q218 V223 Q227 H281 F286 Y289Q218-Q225 HydrophobicContact CB-CG 3.93Å; Q218-Q225 HydrophobicContact CG-CG 3.86Å; V223-Q225 PolarHBondContact O-N 3.07Å; Q225-Q227 PolarHBondContact O-N 3.34Å; Q225-H281 PolarHBondContact O-NE2 3.3Å; Q225-F286 HydrophobicContact CB-CB 4.44Å; Q225-F286 HydrophobicContact CB-CG 4.34Å; Q225-F286 WeakPolarHBondContact O-CB 3.22Å; Q225-Y289 PolarHBondContact OE1-OH 3.03Å
226N94.9Very high93.6Very high65 Ų6561.4 Ų61.435%0.34835%0.349SS..THydrogen-bonded Turntrans-70.5-21.1176.9-65.9-61.5000112.6D224 P228 H281 G284 F286D224-N226 PolarHBondContact O-N 2.63Å; D224-N226 WeakPolarHBondContact OD1-CB 3.47Å; D224-N226 PolarHBondContact OD1-N 2.81Å; D224-N226 PolarHBondContact OD1-ND2 3.35Å; N226-P228 WeakPolarHBondContact O-CD 3.27Å; N226-H281 PolarHBondContact O-CD2 3.45Å; N226-G284 WeakPolarHBondContact CB-O 3.15Å; N226-G284 CarbonylContact O-C 3.29Å; N226-F286 PolarHBondContact OD1-N 3.01Å
227Q91.3Very high93.5Very high113 Ų11358.8 Ų58.853%0.52834%0.34SS..  trans-73.7111.1174.9-61.7-61.2-32.500110D224 Q225 D229 A230D224-Q227 HydrophobicContact CB-CG 4.18Å; D224-Q227 WeakPolarHBondContact O-CB 3.48Å; D224-Q227 PolarHBondContact O-N 3.43Å; Q225-Q227 PolarHBondContact O-N 3.34Å; Q227-D229 PolarHBondContact O-N 3.16Å; Q227-D229 VanDerWaalsContact O-N 3.14Å; Q227-A230 HydrophobicContact CB-CB 3.9Å; Q227-A230 WeakPolarHBondContact O-CB 3.12Å; Q227-A230 PolarHBondContact O-N 3.09Å; Q227-A230 VanDerWaalsContact O-N 3.13Å
228P85.8Confident93.6Very high16 Ų1659.3 Ų59.310%0.10434%0.341CS..THydrogen-bonded Turntrans-66.2-19.5-174.2-22.636.1000114.7N226 H281 Q521 S523N226-P228 WeakPolarHBondContact O-CD 3.27Å; P228-H281 HydrophobicContact CB-CB 4.43Å; P228-H281 HydrophobicContact CG-CB 4.14Å; P228-Q521 VanDerWaalsContact CB-NE2 3.31Å; P228-S523 PolarHBondContact O-OG 3.18Å
229D86.1Confident93.6Very high109 Ų10959.4 Ų59.458%0.58334%0.341SS*.THydrogen-bonded Turntrans-106.37.9-179.3-62.3-42.1000112.9Q227 E231 K464Q227-D229 PolarHBondContact O-N 3.16Å; Q227-D229 VanDerWaalsContact O-N 3.14Å; D229-E231 PolarHBondContact O-N 2.96Å; D229-K464 IonicContact OD1-NZ 3.26Å; D229-K464 PolarHBondContact OD1-NZ 2.84Å
230A88.9Confident93.8Very high21 Ų2155.1 Ų55.117%0.17432%0.315CS..  trans-61.8135.2173.600000110.9V223 Q227 L232 Q525V223-A230 HydrophobicContact CG1-CB 4.08Å; Q227-A230 HydrophobicContact CB-CB 3.9Å; Q227-A230 WeakPolarHBondContact O-CB 3.12Å; Q227-A230 PolarHBondContact O-N 3.09Å; Q227-A230 VanDerWaalsContact O-N 3.13Å; A230-L232 HydrophobicContact CB-CD2 4.26Å; A230-L232 PolarHBondContact O-N 3.36Å; A230-Q525 PolarHBondContact O-NE2 3.43Å
231E90.4Very high93.9Very high139 Ų13951.4 Ų51.465%0.6530%0.295SS*.  trans-76.3110.6166.7-175.4164.6-154.400108.5D229 K367D229-E231 PolarHBondContact O-N 2.96Å; E231-K367 IonicContact OE1-NZ 3.6Å; E231-K367 PolarHBondContact OE1-NZ 2.91Å
232L95.1Very high94Very high13 Ų1345.9 Ų45.97%0.06827%0.269CS..PPolyproline II helixtrans-79.6141.8-179.9-58.3-168.2000110.8Q218 V223 A230 P234 Y289 Q525 L528Q218-L232 HydrophobicContact CG-CD2 4.21Å; V223-L232 HydrophobicContact CG1-CD2 3.81Å; A230-L232 HydrophobicContact CB-CD2 4.26Å; A230-L232 PolarHBondContact O-N 3.36Å; L232-P234 WeakPolarHBondContact O-CD 3.42Å; L232-Y289 HydrophobicContact CD1-CE1 3.71Å; L232-Y289 WeakPolarHBondContact CD1-OH 3.3Å; L232-Q525 HydrophobicContact CD1-CG 3.77Å; L232-Q525 HydrophobicContact CG-CG 4.13Å; L232-L528 HydrophobicContact CB-CD1 3.55Å; L232-L528 HydrophobicContact CD1-CD1 4.45Å; L232-L528 HydrophobicContact CD1-CD2 3.93Å
233V96.5Very high93.9Very high39 Ų3942.8 Ų42.824%0.23624%0.236CC..PPolyproline II helixtrans-75.8124.6177.3-179.30000109.8I217 Q218 H221 V223 L528I217-V233 HydrophobicContact CG2-CB 4.07Å; I217-V233 HydrophobicContact CG2-CG1 3.93Å; Q218-V233 PolarHBondContact NE2-O 2.89Å; H221-V233 HydrophobicContact CB-CG2 3.88Å; V223-V233 HydrophobicContact CG2-CG2 4.06Å; V233-L528 WeakPolarHBondContact O-CD1 3.04Å
234P95.7Very high93.8Very high79 Ų7941.5 Ų41.551%0.51323%0.23SC..PPolyproline II helixtrans-59.5142.5175.6-25.135.3000113.4L232 S236 L528L232-P234 WeakPolarHBondContact O-CD 3.42Å; P234-S236 PolarHBondContact O-N 3.48Å; P234-L528 WeakPolarHBondContact CA-O 3.32Å
235C93.6Very high93.4Very high5 Ų538.6 Ų38.63%0.03422%0.218CC..PPolyproline II helixtrans-74.4124.1175.2-66.70000110.8L528 I529C235-L528 PolarHBondContact N-O 2.99Å; C235-I529 HydrophobicContact CB-CG2 4.39Å
236S89.2Confident92.6Very high101 Ų10141.2 Ų41.271%0.70624%0.238SC*.SBendtrans-70.1-35.6173.6550000112.5P234P234-S236 PolarHBondContact O-N 3.48Å
237L95.8Very high92Very high16 Ų1640.9 Ų40.98%0.08424%0.239CC..SBendtrans-74.1134.4177.7-67.4-177.5000112.1L191 Y194 V197 L213L191-L237 HydrophobicContact CB-CD1 3.86Å; L191-L237 HydrophobicContact CD1-CD1 4.3Å; L191-L237 HydrophobicContact CD2-CD1 3.93Å; L191-L237 HydrophobicContact CG-CD1 4.24Å; Y194-L237 WeakPolarHBondContact O-CD2 3.39Å; V197-L237 HydrophobicContact CG2-CD1 4.16Å; L213-L237 HydrophobicContact CD2-CD1 4.14Å
238R97.3Very high91.9Very high30 Ų3036.1 Ų36.111%0.11322%0.217CC..EExtended strand (participates in β ladder)trans-84.7142.9175.1-72.9170.7-71.8174.1-1.3111.2N133 G196 V197 G270 R530 F532N133-R238 VanDerWaalsContact O-CZ 3.25Å; N133-R238 PolarHBondContact O-NH1 3.32Å; N133-R238 PolarHBondContact O-NH2 2.82Å; G196-R238 CarbonylContact C-O 3.59Å; G196-R238 VanDerWaalsContact CA-O 3.24Å; G196-R238 WeakPolarHBondContact CA-O 3.36Å; V197-R238 PolarHBondContact N-O 2.92Å; R238-G270 PolarHBondContact NH1-O 2.77Å; R238-G270 VanDerWaalsContact NH1-O 3.17Å; R238-R530 CarbonylContact C-O 3.54Å; R238-R530 VanDerWaalsContact CA-O 3.29Å; R238-R530 WeakPolarHBondContact CA-O 3.45Å; R238-R530 HydrophobicContact CG-CB 3.86Å; R238-F532 HydrophobicContact CB-CD1 4.39Å; R238-F532 HydrophobicContact CB-CD2 3.69Å; R238-F532 HydrophobicContact CB-CE1 4.15Å; R238-F532 HydrophobicContact CB-CE2 3.4Å; R238-F532 VanDerWaalsContact CB-CE2 3.4Å; R238-F532 HydrophobicContact CB-CG 4.18Å; R238-F532 HydrophobicContact CB-CZ 3.65Å
239I98.7Very high92Very high2 Ų236.1 Ų36.11%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-99.8123.1176.9-55.1174000110.1V197 F206 I209 L213 I529 R530 L531 F532V197-I239 CarbonylContact O-C 3.48Å; V197-I239 VanDerWaalsContact O-CA 3.26Å; V197-I239 WeakPolarHBondContact O-CA 3.49Å; F206-I239 HydrophobicContact CD2-CG2 3.89Å; F206-I239 HydrophobicContact CE2-CB 4.41Å; F206-I239 HydrophobicContact CE2-CD1 4.18Å; F206-I239 HydrophobicContact CE2-CG2 3.87Å; I209-I239 HydrophobicContact CG2-CD1 4.25Å; I209-I239 HydrophobicContact CG2-CG1 4.35Å; I209-I239 HydrophobicContact CG2-CG2 4.22Å; L213-I239 HydrophobicContact CD1-CD1 3.94Å; L213-I239 HydrophobicContact CD1-CG1 3.75Å; I239-I529 HydrophobicContact CD1-CD1 4.46Å; I239-R530 PolarHBondContact N-O 3.01Å; I239-L531 HydrophobicContact CB-CD2 3.92Å; I239-L531 HydrophobicContact CG2-CD2 4.46Å; I239-L531 CarbonylContact O-C 3.43Å; I239-L531 VanDerWaalsContact O-CA 3.24Å; I239-L531 WeakPolarHBondContact O-CA 3.38Å; I239-F532 PolarHBondContact O-N 3.21Å
240G98.4Very high92.4Very high0 Ų031 Ų310%019%0.19CC..EExtended strand (participates in β ladder)trans-95.3135.5171.600000110.9V197 V198 C199V197-G240 PolarHBondContact O-N 3.46Å; V198-G240 CarbonylContact C-O 3.54Å; V198-G240 VanDerWaalsContact CA-O 3.3Å; V198-G240 WeakPolarHBondContact CA-O 3.42Å; C199-G240 PolarHBondContact N-O 2.82Å; C199-G240 PolarHBondContact SG-O 3.26Å; C199-G240 VanDerWaalsContact SG-O 3.35Å
241I98Very high92.7Very high10 Ų1030.1 Ų30.15%0.05118%0.182CC..EExtended strand (participates in β ladder)trans-115.1114.6178.2-55.2173.5000108.9F206 I250 C251 S263 L531F206-I241 HydrophobicContact CD2-CD1 3.55Å; F206-I241 HydrophobicContact CD2-CG1 3.77Å; F206-I241 HydrophobicContact CE2-CD1 3.89Å; F206-I241 HydrophobicContact CE2-CG1 4.34Å; F206-I241 HydrophobicContact CG-CD1 4.24Å; I241-I250 HydrophobicContact CD1-CB 4.37Å; I241-I250 HydrophobicContact CD1-CG2 3.64Å; I241-C251 HydrophobicContact CG2-CB 4.04Å; I241-S263 WeakPolarHBondContact O-CB 3.24Å; I241-S263 PolarHBondContact O-OG 2.87Å; I241-L531 HydrophobicContact CD1-CD1 4.25Å; I241-L531 HydrophobicContact CD1-CD2 4.38Å
242I97.8Very high92.8Very high0 Ų025.3 Ų25.30%016%0.16CC..EExtended strand (participates in β ladder)trans-101.8109.6168.9-58-57000108.2I154 V159 V198 C199 V200 G201 A244 P260 A264 I267I154-I242 HydrophobicContact CG2-CG2 4.05Å; V159-I242 HydrophobicContact CG1-CD1 4.06Å; V159-I242 HydrophobicContact CG1-CG1 4.22Å; V159-I242 HydrophobicContact CG2-CD1 4.11Å; V159-I242 HydrophobicContact CG2-CG1 4.26Å; V159-I242 HydrophobicContact CG2-CG2 3.66Å; V198-I242 HydrophobicContact CG1-CG1 3.72Å; C199-I242 PolarHBondContact O-N 2.93Å; V200-I242 HydrophobicContact CB-CB 4.34Å; V200-I242 HydrophobicContact CG1-CB 4.29Å; V200-I242 HydrophobicContact CG1-CG2 3.99Å; V200-I242 HydrophobicContact CG2-CB 4Å; V200-I242 HydrophobicContact CG2-CG1 4.19Å; V200-I242 HydrophobicContact CG2-CG2 4.35Å; G201-I242 PolarHBondContact N-O 2.76Å; G201-I242 VanDerWaalsContact N-O 3.14Å; I242-A244 PolarHBondContact O-N 3.47Å; I242-P260 HydrophobicContact CG2-CB 4.01Å; I242-A264 HydrophobicContact CD1-CB 4.25Å; I242-I267 HydrophobicContact CD1-CD1 3.81Å; I242-I267 HydrophobicContact CG1-CD1 4.48Å
243P95.1Very high92.7Very high4 Ų425 Ų253%0.02616%0.158CC..EExtended strand (participates in β ladder)trans-66.2119.7-175.625.6-34.3000111.7D248 C251 N258 P260P243-D248 HydrophobicContact CB-CB 4Å; P243-D248 VanDerWaalsContact CB-OD2 3.3Å; P243-D248 WeakPolarHBondContact CB-OD2 3.3Å; P243-C251 HydrophobicContact CB-CB 4.38Å; P243-N258 HydrophobicContact CB-CB 4.2Å; P243-N258 VanDerWaalsContact CG-C 3.45Å; P243-N258 HydrophobicContact CG-CB 4.43Å; P243-N258 WeakPolarHBondContact CG-O 3.5Å; P243-P260 HydrophobicContact CG-CG 4.25Å
244A92.8Very high92.5Very high8 Ų823.1 Ų23.17%0.06615%0.147CC..  trans-139.87.617300000112.7I154 V200 G201 I242I154-A244 HydrophobicContact CD1-CB 3.83Å; V200-A244 HydrophobicContact CG1-CB 4.27Å; G201-A244 PolarHBondContact O-N 3.04Å; I242-A244 PolarHBondContact O-N 3.47Å
245G86.3Confident92.3Very high15 Ų1519.6 Ų19.616%0.15512%0.124CC..SBendtrans-88.4-168.2179.900000113.6G201 D248G201-G245 PolarHBondContact O-N 3.04Å; G245-D248 WeakPolarHBondContact CA-OD1 3.43Å; G245-D248 PolarHBondContact N-OD1 3.1Å; G245-D248 PolarHBondContact N-OD2 3.37Å
246S77.3Confident92.2Very high80 Ų8019.9 Ų19.956%0.55913%0.127SC*.SBendtrans-95.2-25.4179.3-62.70000112.9G147G147-S246 WeakPolarHBondContact CA-OG 3.47Å
247T82Confident92.4Very high59 Ų5915.9 Ų15.936%0.36210%0.099SC..  trans-111.5-57.4-176.1-50.10000110.1C249 N258T247-C249 VanDerWaalsContact C-N 3.25Å; T247-C249 HydrophobicContact CG2-CB 4.01Å; T247-C249 PolarHBondContact O-N 3.33Å; T247-N258 PolarHBondContact O-ND2 3.18Å
248D88.3Confident92.3Very high13 Ų1317.2 Ų17.27%0.0711%0.106CC..  trans52.544.5-179.7-55.2-24.1000111.4G202 D203 P243 G245 I250 C251 F252 N258G202-D248 WeakPolarHBondContact CA-OD1 3.4Å; D203-D248 PolarHBondContact OD2-N 3.42Å; P243-D248 HydrophobicContact CB-CB 4Å; P243-D248 VanDerWaalsContact CB-OD2 3.3Å; P243-D248 WeakPolarHBondContact CB-OD2 3.3Å; G245-D248 WeakPolarHBondContact CA-OD1 3.43Å; G245-D248 PolarHBondContact N-OD1 3.1Å; G245-D248 PolarHBondContact N-OD2 3.37Å; D248-I250 VanDerWaalsContact C-N 3.34Å; D248-I250 PolarHBondContact O-N 3.11Å; D248-C251 HydrophobicContact CB-CB 4.33Å; D248-C251 PolarHBondContact O-N 3.43Å; D248-F252 WeakPolarHBondContact O-CB 3.35Å; D248-F252 PolarHBondContact O-N 3.37Å; D248-N258 HydrophobicContact CB-CB 4.48Å; D248-N258 PolarHBondContact O-OD1 2.79Å
249C89.6Confident92.2Very high16 Ų1617 Ų1711%0.10811%0.107CC..Hα-helixtrans-62.9-42.5-174.4-170.80000111.2D203 T247 C251 F252 A253D203-C249 PolarHBondContact OD1-N 3.38Å; D203-C249 PolarHBondContact OD2-N 3.25Å; D203-C249 VanDerWaalsContact OD2-N 3.1Å; T247-C249 VanDerWaalsContact C-N 3.25Å; T247-C249 HydrophobicContact CG2-CB 4.01Å; T247-C249 PolarHBondContact O-N 3.33Å; C249-C251 PolarHBondContact O-N 2.69Å; C249-F252 PolarHBondContact O-N 2.94Å; C249-A253 WeakPolarHBondContact O-CB 3.46Å; C249-A253 PolarHBondContact O-N 3.21Å
250I93.8Very high92.1Very high2 Ų217.4 Ų17.41%0.0111%0.11CC..Hα-helixtrans-66.5-43.1-176.5-59.3167.6000110.1D203 F206 I241 D248 T254 M275 V291 M403D203-I250 HydrophobicContact CB-CD1 4.13Å; D203-I250 WeakPolarHBondContact OD1-CG1 3.27Å; D203-I250 PolarHBondContact OD1-N 2.88Å; D203-I250 VanDerWaalsContact OD1-N 3.08Å; F206-I250 HydrophobicContact CD1-CD1 3.36Å; F206-I250 HydrophobicContact CE1-CD1 3.73Å; F206-I250 HydrophobicContact CG-CD1 4.09Å; I241-I250 HydrophobicContact CD1-CB 4.37Å; I241-I250 HydrophobicContact CD1-CG2 3.64Å; D248-I250 VanDerWaalsContact C-N 3.34Å; D248-I250 PolarHBondContact O-N 3.11Å; I250-T254 WeakPolarHBondContact O-CB 3.31Å; I250-T254 WeakPolarHBondContact O-CG2 3.42Å; I250-T254 PolarHBondContact O-N 2.92Å; I250-T254 PolarHBondContact O-OG1 2.93Å; I250-M275 HydrophobicContact CG2-CE 4.36Å; I250-V291 HydrophobicContact CD1-CG2 3.58Å; I250-V291 HydrophobicContact CG1-CG2 4.16Å; I250-M403 HydrophobicContact CB-CE 4.48Å; I250-M403 HydrophobicContact CG2-CE 4.48Å
251C94.4Very high92.1Very high1 Ų118.9 Ų18.91%0.00712%0.119CC..Hα-helixtrans-60.7-49173.9-174.80000111.1I241 P243 D248 C249 A253 T254 Q255 T257I241-C251 HydrophobicContact CG2-CB 4.04Å; P243-C251 HydrophobicContact CB-CB 4.38Å; D248-C251 HydrophobicContact CB-CB 4.33Å; D248-C251 PolarHBondContact O-N 3.43Å; C249-C251 PolarHBondContact O-N 2.69Å; C251-A253 PolarHBondContact O-N 3.19Å; C251-T254 PolarHBondContact O-N 2.92Å; C251-T254 PolarHBondContact O-OG1 3.37Å; C251-T254 VanDerWaalsContact O-OG1 3.11Å; C251-Q255 WeakPolarHBondContact O-CB 3.45Å; C251-Q255 PolarHBondContact O-N 3.47Å; C251-Q255 PolarHBondContact SG-NE2 3.39Å; C251-T257 PolarHBondContact SG-O 3.43Å
252F93.1Very high92.1Very high39 Ų3918.4 Ų18.417%0.17112%0.116CC..Hα-helixtrans-61.7-47.1-177-168.7-94.1000112.5D248 C249 T254 G256 N258 A406 P408D248-F252 WeakPolarHBondContact O-CB 3.35Å; D248-F252 PolarHBondContact O-N 3.37Å; C249-F252 PolarHBondContact O-N 2.94Å; F252-T254 VanDerWaalsContact C-N 3.27Å; F252-T254 PolarHBondContact O-N 3.47Å; F252-G256 WeakPolarHBondContact O-CA 3.35Å; F252-G256 PolarHBondContact O-N 3.21Å; F252-N258 WeakPolarHBondContact CA-OD1 3.45Å; F252-N258 VanDerWaalsContact CB-OD1 3.27Å; F252-N258 WeakPolarHBondContact CB-OD1 3.28Å; F252-N258 PolarHBondContact N-OD1 3.39Å; F252-A406 HydrophobicContact CD1-CB 4.07Å; F252-A406 VanDerWaalsContact CD1-O 3.3Å; F252-A406 WeakPolarHBondContact CD1-O 3.43Å; F252-A406 HydrophobicContact CE1-CB 4.12Å; F252-P408 HydrophobicContact CD2-CG 4.43Å; F252-P408 HydrophobicContact CE2-CG 4.33Å
253A92.2Very high92.1Very high5 Ų518.4 Ų18.44%0.04112%0.116CC..Hα-helixtrans-77.4-12.9-176.200000113.6C249 C251 M403 S404 A406C249-A253 WeakPolarHBondContact O-CB 3.46Å; C249-A253 PolarHBondContact O-N 3.21Å; C251-A253 PolarHBondContact O-N 3.19Å; A253-M403 HydrophobicContact CB-CE 3.28Å; A253-S404 WeakPolarHBondContact CB-OG 3.27Å; A253-A406 HydrophobicContact CB-CB 4.47Å
254T93.1Very high92.3Very high0 Ų018.2 Ų18.20%012%0.115CC..Hα-helixtrans-96-29.6173.756.70000113.2I250 C251 F252 M275 M403 L420 L531 G535 I536I250-T254 WeakPolarHBondContact O-CB 3.31Å; I250-T254 WeakPolarHBondContact O-CG2 3.42Å; I250-T254 PolarHBondContact O-N 2.92Å; I250-T254 PolarHBondContact O-OG1 2.93Å; C251-T254 PolarHBondContact O-N 2.92Å; C251-T254 PolarHBondContact O-OG1 3.37Å; C251-T254 VanDerWaalsContact O-OG1 3.11Å; F252-T254 VanDerWaalsContact C-N 3.27Å; F252-T254 PolarHBondContact O-N 3.47Å; T254-M275 HydrophobicContact CG2-SD 4.34Å; T254-M403 HydrophobicContact CG2-CE 4.37Å; T254-L420 HydrophobicContact CG2-CD1 4.07Å; T254-L420 HydrophobicContact CG2-CD2 4.22Å; T254-L531 HydrophobicContact CG2-CD1 3.81Å; T254-G535 CarbonylContact O-C 3.58Å; T254-G535 WeakPolarHBondContact O-CA 3.34Å; T254-G535 PolarHBondContact O-N 3.08Å; T254-I536 PolarHBondContact O-N 3.17Å
255Q92.4Very high92.6Very high6 Ų617.9 Ų17.93%0.02811%0.112CC..Hα-helixtrans-118.9-16.9-174.5-64.817258.800114.2C251 T257 S263 H266 A533C251-Q255 WeakPolarHBondContact O-CB 3.45Å; C251-Q255 PolarHBondContact O-N 3.47Å; C251-Q255 PolarHBondContact SG-NE2 3.39Å; Q255-T257 VanDerWaalsContact C-N 3.27Å; Q255-T257 PolarHBondContact O-N 2.93Å; Q255-S263 PolarHBondContact NE2-OG 3.12Å; Q255-S263 VanDerWaalsContact OE1-CA 3.3Å; Q255-S263 PolarHBondContact OE1-OG 3.03Å; Q255-H266 PolarHBondContact OE1-CD2 3.38Å; Q255-A533 HydrophobicContact CG-CB 4.04Å
256G91.4Very high93.1Very high10 Ų1017.3 Ų17.310%0.10311%0.106CC..SBendtrans81.13.1-177.500000114F252F252-G256 WeakPolarHBondContact O-CA 3.35Å; F252-G256 PolarHBondContact O-N 3.21Å
257T92.5Very high94.1Very high17 Ų1713.5 Ų13.510%0.1048%0.079CC..  trans-153.4154.9-178.5-173.10000111.2L101 C251 Q255 D259 T262L101-T257 HydrophobicContact CD2-CG2 4.25Å; L101-T257 WeakPolarHBondContact CD2-OG1 3.32Å; C251-T257 PolarHBondContact SG-O 3.43Å; Q255-T257 VanDerWaalsContact C-N 3.27Å; Q255-T257 PolarHBondContact O-N 2.93Å; T257-D259 HydrophobicContact CG2-CB 4.24Å; T257-T262 HydrophobicContact CG2-CG2 3.78Å
258N93.6Very high94.9Very high45 Ų4510.8 Ų10.824%0.2416%0.062CC..  trans-108.641174.9-68.4-14.6000110.7P243 T247 D248 F252 P260P243-N258 HydrophobicContact CB-CB 4.2Å; P243-N258 VanDerWaalsContact CG-C 3.45Å; P243-N258 HydrophobicContact CG-CB 4.43Å; P243-N258 WeakPolarHBondContact CG-O 3.5Å; T247-N258 PolarHBondContact O-ND2 3.18Å; D248-N258 HydrophobicContact CB-CB 4.48Å; D248-N258 PolarHBondContact O-OD1 2.79Å; F252-N258 WeakPolarHBondContact CA-OD1 3.45Å; F252-N258 VanDerWaalsContact CB-OD1 3.27Å; F252-N258 WeakPolarHBondContact CB-OD1 3.28Å; F252-N258 PolarHBondContact N-OD1 3.39Å; N258-P260 WeakPolarHBondContact O-CD 3.19Å
259D95.4Very high95.3Very high25 Ų2510.2 Ų10.213%0.1346%0.059CC..  trans-97.5115.4-177177.488.4000111.3L101 R103 T257 V261 T262 S263L101-D259 HydrophobicContact CD2-CB 3.32Å; R103-D259 IonicContact CZ-OD1 3.93Å; R103-D259 IonicContact CZ-OD2 2.73Å; R103-D259 VanDerWaalsContact NH1-CG 3.29Å; R103-D259 IonicContact NH1-OD1 2.65Å; R103-D259 PolarHBondContact NH1-OD1 3.13Å; R103-D259 IonicContact NH1-OD2 3.8Å; R103-D259 PolarHBondContact NH1-OD2 3.14Å; R103-D259 IonicContact NH2-OD1 3.68Å; R103-D259 PolarHBondContact NH2-OD1 2.63Å; R103-D259 IonicContact NH2-OD2 3.12Å; T257-D259 HydrophobicContact CG2-CB 4.24Å; D259-V261 VanDerWaalsContact C-N 3.25Å; D259-V261 PolarHBondContact O-N 3.06Å; D259-V261 VanDerWaalsContact O-N 3.16Å; D259-V261 PolarHBondContact OD2-N 2.95Å; D259-T262 WeakPolarHBondContact O-CB 3.31Å; D259-T262 PolarHBondContact O-N 2.92Å; D259-T262 VanDerWaalsContact O-N 3.09Å; D259-T262 WeakPolarHBondContact OD2-CB 3.45Å; D259-T262 PolarHBondContact OD2-N 3.42Å; D259-T262 PolarHBondContact OD2-OG1 2.96Å; D259-S263 PolarHBondContact O-N 2.96Å; D259-S263 PolarHBondContact O-OG 2.92Å
260P96.9Very high95.7Very high11 Ų119.6 Ų9.67%0.0716%0.055CC..Hα-helixtrans-58.2-32.4-175.8-28.635.4000115.1I154 K158 V159 I242 P243 N258 A264I154-P260 HydrophobicContact CG2-CB 3.61Å; I154-P260 HydrophobicContact CG2-CG 3.65Å; K158-P260 HydrophobicContact CD-CB 4.46Å; V159-P260 HydrophobicContact CG2-CB 4.32Å; I242-P260 HydrophobicContact CG2-CB 4.01Å; P243-P260 HydrophobicContact CG-CG 4.25Å; N258-P260 WeakPolarHBondContact O-CD 3.19Å; P260-A264 WeakPolarHBondContact O-CB 3.37Å; P260-A264 PolarHBondContact O-N 3.23Å
261V98.1Very high95.8Very high30 Ų3010.2 Ų10.218%0.1826%0.058CC..Hα-helixtrans-73-39.1-179.6176.40000110K158 D259 A264 L265K158-V261 HydrophobicContact CB-CG2 4.04Å; K158-V261 HydrophobicContact CD-CG2 4.47Å; D259-V261 VanDerWaalsContact C-N 3.25Å; D259-V261 PolarHBondContact O-N 3.06Å; D259-V261 VanDerWaalsContact O-N 3.16Å; D259-V261 PolarHBondContact OD2-N 2.95Å; V261-A264 PolarHBondContact O-N 2.85Å; V261-L265 HydrophobicContact CG1-CD1 4.13Å; V261-L265 HydrophobicContact CG1-CG 4.48Å; V261-L265 VanDerWaalsContact O-CG 3.29Å; V261-L265 WeakPolarHBondContact O-CG 3.3Å; V261-L265 PolarHBondContact O-N 3.35Å
262T98.1Very high95.9Very high0 Ų012.2 Ų12.20%07%0.073CC..Hα-helixtrans-60.1-47.9175.1-57.80000110.6W102 T257 D259 A264 L265 H266W102-T262 HydrophobicContact CB-CG2 3.94Å; W102-T262 HydrophobicContact CG-CG2 4.02Å; W102-T262 PolarHBondContact N-OG1 2.77Å; W102-T262 PolarHBondContact O-OG1 2.79Å; T257-T262 HydrophobicContact CG2-CG2 3.78Å; D259-T262 WeakPolarHBondContact O-CB 3.31Å; D259-T262 PolarHBondContact O-N 2.92Å; D259-T262 VanDerWaalsContact O-N 3.09Å; D259-T262 WeakPolarHBondContact OD2-CB 3.45Å; D259-T262 PolarHBondContact OD2-N 3.42Å; D259-T262 PolarHBondContact OD2-OG1 2.96Å; T262-A264 PolarHBondContact O-N 2.84Å; T262-L265 PolarHBondContact O-N 2.87Å; T262-L265 VanDerWaalsContact O-N 3.16Å; T262-H266 PolarHBondContact O-CD2 3.49Å; T262-H266 VanDerWaalsContact O-CD2 3.3Å; T262-H266 PolarHBondContact O-N 2.78Å
263S98.2Very high96Very high1 Ų111 Ų111%0.0077%0.067CC..Hα-helixtrans-64.5-39.3177.4-49.80000112.9I241 Q255 D259 L265 H266 I267I241-S263 WeakPolarHBondContact O-CB 3.24Å; I241-S263 PolarHBondContact O-OG 2.87Å; Q255-S263 PolarHBondContact NE2-OG 3.12Å; Q255-S263 VanDerWaalsContact OE1-CA 3.3Å; Q255-S263 PolarHBondContact OE1-OG 3.03Å; D259-S263 PolarHBondContact O-N 2.96Å; D259-S263 PolarHBondContact O-OG 2.92Å; S263-L265 VanDerWaalsContact C-N 3.3Å; S263-L265 PolarHBondContact O-N 3.01Å; S263-H266 PolarHBondContact O-N 2.98Å; S263-I267 WeakPolarHBondContact O-CG1 3.08Å; S263-I267 PolarHBondContact O-N 3.44Å; S263-I267 VanDerWaalsContact O-N 3.13Å
264A98.7Very high96.1Very high0 Ų011.7 Ų11.70%07%0.071CC..Hα-helixtrans-60.6-39.2173.500000112.2V159 V162 F163 I242 P260 V261 T262 I267 V268V159-A264 HydrophobicContact CG1-CB 4Å; V159-A264 HydrophobicContact CG2-CB 4.4Å; V162-A264 HydrophobicContact CB-CB 4.31Å; V162-A264 HydrophobicContact CG1-CB 4.09Å; F163-A264 HydrophobicContact CE1-CB 4.08Å; I242-A264 HydrophobicContact CD1-CB 4.25Å; P260-A264 WeakPolarHBondContact O-CB 3.37Å; P260-A264 PolarHBondContact O-N 3.23Å; V261-A264 PolarHBondContact O-N 2.85Å; T262-A264 PolarHBondContact O-N 2.84Å; A264-I267 WeakPolarHBondContact O-CB 3.39Å; A264-I267 PolarHBondContact O-N 3.36Å; A264-V268 WeakPolarHBondContact O-CG2 3.5Å; A264-V268 PolarHBondContact O-N 3.2Å
265L98.6Very high96.3Very high0 Ų011.7 Ų11.70%07%0.072CC..Hα-helixtrans-70.1-36.6178.1-69.5170.3000112.6V58 V94 W102 V162 V261 T262 S263 I267 V268 V269V58-L265 HydrophobicContact CG2-CD2 3.69Å; V94-L265 HydrophobicContact CG2-CB 4.29Å; V94-L265 HydrophobicContact CG2-CD2 4.24Å; W102-L265 HydrophobicContact CB-CD1 3.82Å; W102-L265 HydrophobicContact CE3-CB 3.89Å; V162-L265 HydrophobicContact CG1-CD2 3.82Å; V162-L265 HydrophobicContact CG1-CG 4.37Å; V261-L265 HydrophobicContact CG1-CD1 4.13Å; V261-L265 HydrophobicContact CG1-CG 4.48Å; V261-L265 VanDerWaalsContact O-CG 3.29Å; V261-L265 WeakPolarHBondContact O-CG 3.3Å; V261-L265 PolarHBondContact O-N 3.35Å; T262-L265 PolarHBondContact O-N 2.87Å; T262-L265 VanDerWaalsContact O-N 3.16Å; S263-L265 VanDerWaalsContact C-N 3.3Å; S263-L265 PolarHBondContact O-N 3.01Å; L265-I267 VanDerWaalsContact C-N 3.3Å; L265-I267 PolarHBondContact O-N 2.87Å; L265-V268 PolarHBondContact O-N 2.73Å; L265-V269 WeakPolarHBondContact O-CG2 3.36Å; L265-V269 PolarHBondContact O-N 2.82Å
266H98.3Very high96.5Very high4 Ų411.5 Ų11.52%0.0197%0.071CC..Hα-helixtrans-59.8-40.3171-78.7-64.8000112.2W102 Q255 T262 S263 V269 G270 D271 F532W102-H266 AromaticContact CE2-CE1 3.67Å; W102-H266 AromaticContact CE2-NE2 3.97Å; W102-H266 AromaticContact CE3-CE1 3.97Å; W102-H266 AromaticContact CH2-CE1 3.2Å; W102-H266 WeakPolarHBondContact CH2-CE1 3.29Å; W102-H266 AromaticContact CH2-ND1 3.28Å; W102-H266 VanDerWaalsContact CH2-ND1 3.28Å; W102-H266 WeakPolarHBondContact CH2-ND1 3.49Å; W102-H266 AromaticContact CZ2-CE1 3.26Å; W102-H266 WeakPolarHBondContact CZ2-CE1 3.44Å; W102-H266 AromaticContact CZ2-ND1 3.85Å; W102-H266 AromaticContact CZ3-CE1 3.58Å; W102-H266 AromaticContact CZ3-CG 3.93Å; W102-H266 AromaticContact CZ3-ND1 3.38Å; W102-H266 WeakPolarHBondContact CZ3-ND1 3.41Å; Q255-H266 PolarHBondContact OE1-CD2 3.38Å; T262-H266 PolarHBondContact O-CD2 3.49Å; T262-H266 VanDerWaalsContact O-CD2 3.3Å; T262-H266 PolarHBondContact O-N 2.78Å; S263-H266 PolarHBondContact O-N 2.98Å; H266-V269 WeakPolarHBondContact O-CG2 3.47Å; H266-G270 PolarHBondContact O-N 2.95Å; H266-D271 IonicContact CE1-OD2 3.67Å; H266-D271 IonicContact CG-OD2 3.73Å; H266-D271 IonicContact ND1-OD2 2.71Å; H266-D271 PolarHBondContact ND1-OD2 2.93Å; H266-D271 PolarHBondContact O-N 2.85Å; H266-D271 VanDerWaalsContact O-N 3.08Å; H266-F532 WeakPolarHBondContact CB-O 3.49Å
267I98.7Very high96.8Very high0 Ų011 Ų110%07%0.066CC..Hα-helixtrans-63-49.8173.7-65162.6000110.4P135 L138 F163 V198 I242 S263 A264 L265 V269 G270 F532P135-I267 WeakPolarHBondContact CD-O 3.21Å; P135-I267 HydrophobicContact CG-CG2 4.08Å; P135-I267 VanDerWaalsContact CG-O 3.31Å; P135-I267 WeakPolarHBondContact CG-O 3.4Å; L138-I267 HydrophobicContact CD1-CG2 3.53Å; F163-I267 HydrophobicContact CE1-CB 3.99Å; F163-I267 HydrophobicContact CE1-CD1 4.35Å; F163-I267 HydrophobicContact CE1-CG2 3.78Å; F163-I267 HydrophobicContact CZ-CB 4.26Å; F163-I267 HydrophobicContact CZ-CD1 3.86Å; F163-I267 HydrophobicContact CZ-CG2 3.91Å; V198-I267 HydrophobicContact CG1-CD1 4.07Å; V198-I267 HydrophobicContact CG2-CD1 4.12Å; I242-I267 HydrophobicContact CD1-CD1 3.81Å; I242-I267 HydrophobicContact CG1-CD1 4.48Å; S263-I267 WeakPolarHBondContact O-CG1 3.08Å; S263-I267 PolarHBondContact O-N 3.44Å; S263-I267 VanDerWaalsContact O-N 3.13Å; A264-I267 WeakPolarHBondContact O-CB 3.39Å; A264-I267 PolarHBondContact O-N 3.36Å; L265-I267 VanDerWaalsContact C-N 3.3Å; L265-I267 PolarHBondContact O-N 2.87Å; I267-V269 PolarHBondContact O-N 3.41Å; I267-G270 PolarHBondContact O-N 3.41Å; I267-F532 HydrophobicContact CB-CB 4.17Å; I267-F532 HydrophobicContact CB-CG 4.26Å; I267-F532 HydrophobicContact CG1-CB 3.44Å; I267-F532 VanDerWaalsContact CG1-CB 3.44Å; I267-F532 HydrophobicContact CG1-CD2 4.15Å; I267-F532 HydrophobicContact CG1-CG 3.86Å; I267-F532 HydrophobicContact CG2-CD1 4.46Å; I267-F532 HydrophobicContact CG2-CD2 4.41Å; I267-F532 HydrophobicContact CG2-CG 4.32Å
268V98.5Very high97.1Very high2 Ų210.2 Ų10.21%0.0126%0.061CC..Hα-helixtrans-56.9-47.6-179.8163.80000112.8V58 V162 F163 A166 I168 A264 L265 G270V58-V268 HydrophobicContact CB-CG1 4.41Å; V58-V268 HydrophobicContact CG1-CG1 4.15Å; V58-V268 HydrophobicContact CG2-CG1 4.29Å; V162-V268 HydrophobicContact CG1-CG2 3.9Å; F163-V268 HydrophobicContact CD1-CG2 3.97Å; F163-V268 HydrophobicContact CE1-CG2 4.35Å; A166-V268 HydrophobicContact CB-CB 4.26Å; A166-V268 HydrophobicContact CB-CG1 3.59Å; A166-V268 HydrophobicContact CB-CG2 3.67Å; I168-V268 HydrophobicContact CD1-CB 4.38Å; I168-V268 HydrophobicContact CD1-CG2 3.77Å; A264-V268 WeakPolarHBondContact O-CG2 3.5Å; A264-V268 PolarHBondContact O-N 3.2Å; L265-V268 PolarHBondContact O-N 2.73Å; V268-G270 PolarHBondContact O-N 3.47Å
269V97Very high97.3Very high1 Ų18.2 Ų8.21%0.0065%0.05CC..Hα-helixtrans-73-10-178.9-58.50000112.5V94 W102 N133 L265 H266 I267 D271V94-V269 HydrophobicContact CG2-CG1 3.67Å; W102-V269 HydrophobicContact CH2-CG2 4.45Å; W102-V269 HydrophobicContact CZ3-CG2 4.01Å; N133-V269 PolarHBondContact ND2-O 2.81Å; L265-V269 WeakPolarHBondContact O-CG2 3.36Å; L265-V269 PolarHBondContact O-N 2.82Å; H266-V269 WeakPolarHBondContact O-CG2 3.47Å; I267-V269 PolarHBondContact O-N 3.41Å; V269-D271 HydrophobicContact CG2-CB 4.31Å; V269-D271 VanDerWaalsContact CG2-CG 3.48Å; V269-D271 WeakPolarHBondContact CG2-OD2 3.2Å
270G97.1Very high97.4Very high2 Ų27 Ų72%0.0214%0.044CC..THydrogen-bonded Turntrans75.634.6178.100000113.1N133 R238 H266 I267 V268N133-G270 PolarHBondContact ND2-O 3.31Å; N133-G270 WeakPolarHBondContact O-CA 3.42Å; R238-G270 PolarHBondContact NH1-O 2.77Å; R238-G270 VanDerWaalsContact NH1-O 3.17Å; H266-G270 PolarHBondContact O-N 2.95Å; I267-G270 PolarHBondContact O-N 3.41Å; V268-G270 PolarHBondContact O-N 3.47Å
271D96.2Very high97.4Very high15 Ų156.6 Ų6.68%0.084%0.041CC..  trans-60.7156.1176.5-78-31.7000111.2W102 H266 V269 F532 R534W102-D271 WeakPolarHBondContact CH2-OD2 3.49Å; H266-D271 IonicContact CE1-OD2 3.67Å; H266-D271 IonicContact CG-OD2 3.73Å; H266-D271 IonicContact ND1-OD2 2.71Å; H266-D271 PolarHBondContact ND1-OD2 2.93Å; H266-D271 PolarHBondContact O-N 2.85Å; H266-D271 VanDerWaalsContact O-N 3.08Å; V269-D271 HydrophobicContact CG2-CB 4.31Å; V269-D271 VanDerWaalsContact CG2-CG 3.48Å; V269-D271 WeakPolarHBondContact CG2-OD2 3.2Å; D271-F532 WeakPolarHBondContact O-CA 3.29Å; D271-R534 HydrophobicContact CB-CB 4.34Å; D271-R534 VanDerWaalsContact CG-NE 3.31Å; D271-R534 IonicContact OD1-CZ 3.35Å; D271-R534 VanDerWaalsContact OD1-CZ 3.25Å; D271-R534 IonicContact OD1-NE 2.78Å; D271-R534 PolarHBondContact OD1-NE 2.7Å; D271-R534 IonicContact OD1-NH2 3.99Å; D271-R534 PolarHBondContact OD1-NH2 3.47Å; D271-R534 IonicContact OD2-CZ 3.22Å; D271-R534 IonicContact OD2-NE 3.62Å; D271-R534 PolarHBondContact OD2-NE 2.58Å; D271-R534 VanDerWaalsContact OD2-NE 3.09Å; D271-R534 IonicContact OD2-NH2 3.82Å; D271-R534 PolarHBondContact OD2-NH2 3.42Å
272S95.4Very high97.3Very high44 Ų446.3 Ų6.331%0.3084%0.038SC..  trans-145.1110.9-177.6-168.40000111.1R530 L531 A533S272-R530 PolarHBondContact OG-NE 3.02Å; S272-R530 PolarHBondContact OG-NH2 3.13Å; S272-L531 WeakPolarHBondContact CA-O 3.46Å; S272-A533 CarbonylContact C-O 3.47Å; S272-A533 VanDerWaalsContact C-O 3.29Å; S272-A533 PolarHBondContact N-O 2.96Å
273Q95.3Very high97Very high12 Ų1213 Ų136%0.0567%0.073CC..EExtended strand (participates in β ladder)trans-112.7112.8174.3175.259.361.600108.3L420 R530 L531 A533Q273-L420 HydrophobicContact CG-CD1 3.91Å; Q273-R530 CarbonylContact O-C 3.44Å; Q273-R530 WeakPolarHBondContact O-CA 3.25Å; Q273-L531 PolarHBondContact N-O 2.96Å; Q273-L531 PolarHBondContact O-N 3.45Å; Q273-A533 HydrophobicContact CB-CB 4.13Å; Q273-A533 WeakPolarHBondContact CB-O 3.43Å; Q273-A533 PolarHBondContact N-O 3.46Å
274P95.9Very high96.6Very high20 Ų2014.8 Ų14.813%0.139%0.092CC..EExtended strand (participates in β ladder)trans-63.5151.4170.428.1-34.3000110.5A421 Q527 I529P274-A421 HydrophobicContact CB-CB 3.93Å; P274-A421 HydrophobicContact CG-CB 3.78Å; P274-A421 WeakPolarHBondContact O-CB 3.47Å; P274-Q527 HydrophobicContact CB-CB 3.99Å; P274-Q527 HydrophobicContact CB-CG 3.84Å; P274-Q527 VanDerWaalsContact CB-OE1 3.26Å; P274-Q527 VanDerWaalsContact CG-OE1 3.28Å; P274-I529 CarbonylContact C-O 3.6Å; P274-I529 WeakPolarHBondContact CA-O 3.29Å
275M96Very high96.4Very high1 Ų118.5 Ų18.51%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-142.9136.9176.4-157.1165.977.700111.8F206 I250 T254 V291 L420 Q527 L528 I529 L531F206-M275 HydrophobicContact CE1-CE 4.44Å; F206-M275 HydrophobicContact CZ-CE 3.9Å; I250-M275 HydrophobicContact CG2-CE 4.36Å; T254-M275 HydrophobicContact CG2-SD 4.34Å; M275-V291 HydrophobicContact CE-CB 3.47Å; M275-V291 VanDerWaalsContact CE-CB 3.47Å; M275-V291 HydrophobicContact CE-CG1 3.69Å; M275-V291 HydrophobicContact CE-CG2 3.85Å; M275-L420 CarbonylContact C-O 3.6Å; M275-L420 WeakPolarHBondContact CA-O 3.34Å; M275-L420 HydrophobicContact CG-CB 4.46Å; M275-L420 HydrophobicContact SD-CD2 4.47Å; M275-Q527 CarbonylContact O-C 3.5Å; M275-Q527 WeakPolarHBondContact O-CA 3.28Å; M275-L528 PolarHBondContact O-N 3.13Å; M275-I529 HydrophobicContact CB-CD1 4.4Å; M275-I529 HydrophobicContact CB-CG1 3.92Å; M275-I529 HydrophobicContact CE-CD1 3.77Å; M275-I529 PolarHBondContact N-O 3.31Å; M275-I529 PolarHBondContact O-N 3.35Å; M275-L531 HydrophobicContact CE-CD1 4.24Å; M275-L531 HydrophobicContact SD-CD1 3.84Å
276D97.3Very high96.4Very high2 Ų220.4 Ų20.41%0.01112%0.123CC..EExtended strand (participates in β ladder)trans-72.4152.1172.2-63.4-25000110.5L420 A421 D422 G423 V524 Q525 C526 Q527D276-L420 PolarHBondContact N-O 2.89Å; D276-A421 VanDerWaalsContact CG-CA 3.46Å; D276-A421 VanDerWaalsContact OD1-CA 3.31Å; D276-A421 WeakPolarHBondContact OD1-CA 3.4Å; D276-A421 WeakPolarHBondContact OD2-CA 3.4Å; D276-D422 PolarHBondContact OD2-N 2.75Å; D276-G423 PolarHBondContact OD1-N 2.98Å; D276-G423 WeakPolarHBondContact OD2-CA 3.47Å; D276-G423 PolarHBondContact OD2-N 2.76Å; D276-V524 HydrophobicContact CB-CG1 3.97Å; D276-Q525 WeakPolarHBondContact CA-O 3.21Å; D276-C526 WeakPolarHBondContact OD1-CA 3.25Å; D276-Q527 PolarHBondContact OD1-N 3.28Å
277V97.8Very high96.3Very high0 Ų022.3 Ų22.30%013%0.133CC..EExtended strand (participates in β ladder)trans-133.7123.8176.7-177.80000108.6L210 Y289 V291 Q525 L528 I529L210-V277 HydrophobicContact CD1-CG2 4.3Å; L210-V277 HydrophobicContact CD2-CG1 4.44Å; V277-Y289 HydrophobicContact CG1-CD1 3.59Å; V277-Y289 HydrophobicContact CG1-CG 3.88Å; V277-V291 HydrophobicContact CB-CG1 4.41Å; V277-V291 HydrophobicContact CG1-CG1 4.2Å; V277-V291 HydrophobicContact CG2-CG1 3.94Å; V277-Q525 PolarHBondContact N-O 3.06Å; V277-Q525 WeakPolarHBondContact O-CA 3.32Å; V277-Q525 WeakPolarHBondContact O-CB 3.41Å; V277-Q525 WeakPolarHBondContact O-CG 3.44Å; V277-Q525 PolarHBondContact O-N 2.89Å; V277-L528 HydrophobicContact CB-CB 4.08Å; V277-L528 HydrophobicContact CB-CD2 3.73Å; V277-L528 HydrophobicContact CG1-CD2 4.09Å; V277-L528 HydrophobicContact CG2-CB 3.84Å; V277-L528 HydrophobicContact CG2-CD2 3.96Å; V277-L528 HydrophobicContact CG2-CG 4.35Å; V277-I529 HydrophobicContact CG2-CD1 3.93Å; V277-I529 HydrophobicContact CG2-CG1 3.95Å; V277-I529 HydrophobicContact CG2-CG2 4.12Å
278C97.8Very high96.2Very high0 Ų023.4 Ų23.40%014%0.138CC..EExtended strand (participates in β ladder)trans-78.7125.4169.9-70.60000110.1Y289 S290 L294 S402 V522 S523C278-Y289 CarbonylContact O-C 2.99Å; C278-Y289 VanDerWaalsContact O-CA 3.28Å; C278-Y289 WeakPolarHBondContact O-CA 3.46Å; C278-S290 WeakPolarHBondContact CB-O 3.32Å; C278-S290 PolarHBondContact N-O 3.08Å; C278-S290 PolarHBondContact O-N 3.44Å; C278-L294 HydrophobicContact CB-CD1 4.29Å; C278-S402 PolarHBondContact SG-OG 3.37Å; C278-V522 HydrophobicContact CB-CG1 3.8Å; C278-S523 CarbonylContact C-O 3.53Å; C278-S523 WeakPolarHBondContact CA-O 3.24Å
279S97.6Very high96.1Very high2 Ų223.3 Ų23.31%0.01414%0.137CC..EExtended strand (participates in β ladder)trans-91.6128.7165.157.50000109.9V522 S523S279-V522 WeakPolarHBondContact O-CA 3.23Å; S279-S523 PolarHBondContact N-O 2.85Å; S279-S523 PolarHBondContact O-N 3.49Å; S279-S523 PolarHBondContact OG-O 3.21Å
280V98Very high96.1Very high0 Ų023.3 Ų23.30%014%0.137CC..EExtended strand (participates in β ladder)trans-109.8130.4-179.1-172.70000109.7L287 K288 L294 L515 I520 Q521 V522V280-L287 HydrophobicContact CG1-CD1 4.37Å; V280-L287 WeakPolarHBondContact O-CB 3.43Å; V280-L287 PolarHBondContact O-N 3.45Å; V280-K288 WeakPolarHBondContact CB-O 3.21Å; V280-K288 PolarHBondContact N-O 3.26Å; V280-K288 PolarHBondContact O-N 3.46Å; V280-L294 HydrophobicContact CG2-CD1 3.66Å; V280-L294 HydrophobicContact CG2-CD2 3.97Å; V280-L294 HydrophobicContact CG2-CG 4.43Å; V280-L515 HydrophobicContact CG1-CD1 3.88Å; V280-I520 HydrophobicContact CG1-CB 4.06Å; V280-I520 HydrophobicContact CG1-CD1 4.11Å; V280-I520 HydrophobicContact CG1-CG2 4.11Å; V280-Q521 CarbonylContact C-O 3.52Å; V280-Q521 WeakPolarHBondContact CA-O 3.18Å; V280-V522 HydrophobicContact CG1-CG2 4.31Å; V280-V522 HydrophobicContact CG2-CG2 4.25Å
281H97.7Very high96.1Very high3 Ų323.2 Ų23.21%0.01414%0.136CC..EExtended strand (participates in β ladder)trans-129.6155.6-178.2-6179.9000111.3Q225 N226 P228 V285 F286 I520 Q521Q225-H281 PolarHBondContact O-NE2 3.3Å; N226-H281 PolarHBondContact O-CD2 3.45Å; P228-H281 HydrophobicContact CB-CB 4.43Å; P228-H281 HydrophobicContact CG-CB 4.14Å; H281-V285 CarbonylContact C-O 3.45Å; H281-V285 WeakPolarHBondContact CA-O 3.4Å; H281-V285 WeakPolarHBondContact CB-O 3.42Å; H281-F286 AromaticContact NE2-CD2 3.87Å; H281-I520 CarbonylContact O-C 3.6Å; H281-I520 WeakPolarHBondContact O-CA 3.36Å; H281-Q521 PolarHBondContact N-O 2.92Å; H281-Q521 PolarHBondContact O-N 3.38Å
282H95.6Very high96Very high23 Ų2322.9 Ų22.911%0.10614%0.135CC..EExtended strand (participates in β ladder)trans-134.6123.6167.417182.7000108.4G284 V285 L287 D473 H517 A519H282-G284 PolarHBondContact O-N 2.71Å; H282-G284 VanDerWaalsContact O-N 3.16Å; H282-V285 PolarHBondContact N-O 3.06Å; H282-V285 WeakPolarHBondContact O-CB 3.13Å; H282-V285 PolarHBondContact O-N 3.11Å; H282-L287 HydrophobicContact CB-CD1 3.71Å; H282-L287 HydrophobicContact CB-CD2 4.2Å; H282-L287 HydrophobicContact CB-CG 4.08Å; H282-D473 IonicContact CE1-OD2 3.37Å; H282-H517 HydrophobicContact CB-CB 4.1Å; H282-H517 AromaticContact CD2-CE1 3.86Å; H282-H517 AromaticContact CD2-CG 3.8Å; H282-H517 AromaticContact CD2-ND1 3.42Å; H282-H517 PolarHBondContact CD2-ND1 2.97Å; H282-H517 AromaticContact CE1-ND1 3.91Å; H282-H517 AromaticContact CG-CG 3.78Å; H282-H517 AromaticContact CG-ND1 3.85Å; H282-H517 AromaticContact NE2-ND1 3.48Å; H282-H517 PolarHBondContact NE2-ND1 3.29Å; H282-A519 PolarHBondContact ND1-O 3.41Å
283N91.7Very high96Very high141 Ų14121.7 Ų21.775%0.75413%0.125SC*.THydrogen-bonded Turntrans48.543.1180-66.2-21.9000113.9V285N283-V285 VanDerWaalsContact C-N 3.27Å; N283-V285 PolarHBondContact O-N 3.5Å
284G89.6Confident96Very high38 Ų3821.1 Ų21.139%0.39212%0.122SC..THydrogen-bonded Turntrans72.714.5-179.300000114.8N226 H282N226-G284 WeakPolarHBondContact CB-O 3.15Å; N226-G284 CarbonylContact O-C 3.29Å; H282-G284 PolarHBondContact O-N 2.71Å; H282-G284 VanDerWaalsContact O-N 3.16Å
285V95.3Very high96.1Very high79 Ų7920.1 Ų20.148%0.47912%0.116SC..EExtended strand (participates in β ladder)trans-108.3129172.9-179.50000109.1H281 H282 N283 L287H281-V285 CarbonylContact C-O 3.45Å; H281-V285 WeakPolarHBondContact CA-O 3.4Å; H281-V285 WeakPolarHBondContact CB-O 3.42Å; H282-V285 PolarHBondContact N-O 3.06Å; H282-V285 WeakPolarHBondContact O-CB 3.13Å; H282-V285 PolarHBondContact O-N 3.11Å; N283-V285 VanDerWaalsContact C-N 3.27Å; N283-V285 PolarHBondContact O-N 3.5Å; V285-L287 PolarHBondContact O-N 3.19Å
286F96.9Very high96.1Very high40 Ų4020.3 Ų20.318%0.17512%0.117CC..EExtended strand (participates in β ladder)trans-67.7125.8174.3174.8-102.7000110.7Q225 N226 H281 K288 Y289Q225-F286 HydrophobicContact CB-CB 4.44Å; Q225-F286 HydrophobicContact CB-CG 4.34Å; Q225-F286 WeakPolarHBondContact O-CB 3.22Å; N226-F286 PolarHBondContact OD1-N 3.01Å; H281-F286 AromaticContact NE2-CD2 3.87Å; F286-K288 WeakPolarHBondContact CE2-O 3.33Å; F286-Y289 HydrophobicContact CE1-CD2 4.41Å; F286-Y289 HydrophobicContact CE1-CE2 4.14Å; F286-Y289 AromaticContact CE2-CD1 3.82Å; F286-Y289 HydrophobicContact CE2-CD1 3.82Å; F286-Y289 HydrophobicContact CE2-CD2 4.15Å; F286-Y289 AromaticContact CE2-CE1 3.6Å; F286-Y289 HydrophobicContact CE2-CE1 3.6Å; F286-Y289 AromaticContact CE2-CE2 3.91Å; F286-Y289 HydrophobicContact CE2-CE2 3.91Å; F286-Y289 HydrophobicContact CE2-CG 4.08Å; F286-Y289 AromaticContact CE2-CZ 3.62Å; F286-Y289 AromaticContact CZ-CD1 4Å; F286-Y289 HydrophobicContact CZ-CD1 4Å; F286-Y289 AromaticContact CZ-CD2 3.47Å; F286-Y289 HydrophobicContact CZ-CD2 3.47Å; F286-Y289 VanDerWaalsContact CZ-CD2 3.47Å; F286-Y289 AromaticContact CZ-CE1 3.93Å; F286-Y289 HydrophobicContact CZ-CE1 3.93Å; F286-Y289 AromaticContact CZ-CE2 3.36Å; F286-Y289 HydrophobicContact CZ-CE2 3.36Å; F286-Y289 AromaticContact CZ-CG 3.77Å; F286-Y289 HydrophobicContact CZ-CG 3.77Å; F286-Y289 AromaticContact CZ-CZ 3.6Å
287L96.3Very high96.1Very high44 Ų4420.2 Ų20.223%0.2312%0.116CC..EExtended strand (participates in β ladder)trans-97.8-57.8177-60.2-173.6000111.1V280 H282 V285 H517 I520V280-L287 HydrophobicContact CG1-CD1 4.37Å; V280-L287 WeakPolarHBondContact O-CB 3.43Å; V280-L287 PolarHBondContact O-N 3.45Å; H282-L287 HydrophobicContact CB-CD1 3.71Å; H282-L287 HydrophobicContact CB-CD2 4.2Å; H282-L287 HydrophobicContact CB-CG 4.08Å; V285-L287 PolarHBondContact O-N 3.19Å; L287-H517 HydrophobicContact CD1-CB 4.14Å; L287-I520 HydrophobicContact CD1-CG2 4.33Å
288K96.4Very high96Very high22 Ų2221.2 Ų21.210%0.09612%0.12CC..EExtended strand (participates in β ladder)trans-164.7155.3-168.9-150.1171.6167.379.80112.9H211 V280 F286 C510 E513 L515H211-K288 WeakPolarHBondContact NE2-CG 3.39Å; V280-K288 WeakPolarHBondContact CB-O 3.21Å; V280-K288 PolarHBondContact N-O 3.26Å; V280-K288 PolarHBondContact O-N 3.46Å; F286-K288 WeakPolarHBondContact CE2-O 3.33Å; K288-C510 HydrophobicContact CD-CB 4.25Å; K288-E513 WeakPolarHBondContact CE-OE1 3.41Å; K288-E513 WeakPolarHBondContact CE-OE2 3.37Å; K288-E513 IonicContact NZ-OE1 2.63Å; K288-E513 PolarHBondContact NZ-OE1 3.1Å; K288-E513 IonicContact NZ-OE2 3.41Å; K288-E513 PolarHBondContact NZ-OE2 3.49Å; K288-L515 HydrophobicContact CB-CD2 4.02Å; K288-L515 HydrophobicContact CD-CD2 3.9Å
289Y97.7Very high95.8Very high1 Ų123 Ų230%0.00413%0.127CC..EExtended strand (participates in β ladder)trans-90143162.7-67-61.7000110.7H211 V214 Q225 L232 V277 C278 F286H211-Y289 AromaticContact CD2-CD2 3.76Å; H211-Y289 PolarHBondContact NE2-N 3.45Å; V214-Y289 HydrophobicContact CB-CD2 4.4Å; V214-Y289 HydrophobicContact CB-CE2 3.93Å; V214-Y289 HydrophobicContact CG1-CD2 4.27Å; V214-Y289 HydrophobicContact CG1-CE1 4.23Å; V214-Y289 HydrophobicContact CG1-CE2 3.48Å; V214-Y289 VanDerWaalsContact CG1-CE2 3.48Å; V214-Y289 VanDerWaalsContact CG1-CZ 3.46Å; V214-Y289 WeakPolarHBondContact CG1-OH 3.46Å; Q225-Y289 PolarHBondContact OE1-OH 3.03Å; L232-Y289 HydrophobicContact CD1-CE1 3.71Å; L232-Y289 WeakPolarHBondContact CD1-OH 3.3Å; V277-Y289 HydrophobicContact CG1-CD1 3.59Å; V277-Y289 HydrophobicContact CG1-CG 3.88Å; C278-Y289 CarbonylContact O-C 2.99Å; C278-Y289 VanDerWaalsContact O-CA 3.28Å; C278-Y289 WeakPolarHBondContact O-CA 3.46Å; F286-Y289 HydrophobicContact CE1-CD2 4.41Å; F286-Y289 HydrophobicContact CE1-CE2 4.14Å; F286-Y289 AromaticContact CE2-CD1 3.82Å; F286-Y289 HydrophobicContact CE2-CD1 3.82Å; F286-Y289 HydrophobicContact CE2-CD2 4.15Å; F286-Y289 AromaticContact CE2-CE1 3.6Å; F286-Y289 HydrophobicContact CE2-CE1 3.6Å; F286-Y289 AromaticContact CE2-CE2 3.91Å; F286-Y289 HydrophobicContact CE2-CE2 3.91Å; F286-Y289 HydrophobicContact CE2-CG 4.08Å; F286-Y289 AromaticContact CE2-CZ 3.62Å; F286-Y289 AromaticContact CZ-CD1 4Å; F286-Y289 HydrophobicContact CZ-CD1 4Å; F286-Y289 AromaticContact CZ-CD2 3.47Å; F286-Y289 HydrophobicContact CZ-CD2 3.47Å; F286-Y289 VanDerWaalsContact CZ-CD2 3.47Å; F286-Y289 AromaticContact CZ-CE1 3.93Å; F286-Y289 HydrophobicContact CZ-CE1 3.93Å; F286-Y289 AromaticContact CZ-CE2 3.36Å; F286-Y289 HydrophobicContact CZ-CE2 3.36Å; F286-Y289 AromaticContact CZ-CG 3.77Å; F286-Y289 HydrophobicContact CZ-CG 3.77Å; F286-Y289 AromaticContact CZ-CZ 3.6Å
290S97.1Very high95.6Very high0 Ų022.9 Ų22.90%013%0.127CC..EExtended strand (participates in β ladder)trans-128.3141.6170.9178.60000110.5C278 D511C278-S290 WeakPolarHBondContact CB-O 3.32Å; C278-S290 PolarHBondContact N-O 3.08Å; C278-S290 PolarHBondContact O-N 3.44Å; S290-D511 WeakPolarHBondContact CA-OD2 3.13Å; S290-D511 PolarHBondContact OG-OD1 3.32Å; S290-D511 PolarHBondContact OG-OD2 3.46Å
291V96.1Very high95.5Very high0 Ų024.1 Ų24.10%013%0.133CC..SBendtrans-123.9-14.5177.5-61.80000113.3F206 L210 I250 M275 V277 D511 I529F206-V291 HydrophobicContact CD1-CG2 4.39Å; F206-V291 HydrophobicContact CE1-CB 4.49Å; F206-V291 HydrophobicContact CE1-CG1 4.22Å; F206-V291 HydrophobicContact CE1-CG2 3.6Å; F206-V291 HydrophobicContact CZ-CG2 4.36Å; L210-V291 HydrophobicContact CD2-CG1 3.58Å; I250-V291 HydrophobicContact CD1-CG2 3.58Å; I250-V291 HydrophobicContact CG1-CG2 4.16Å; M275-V291 HydrophobicContact CE-CB 3.47Å; M275-V291 VanDerWaalsContact CE-CB 3.47Å; M275-V291 HydrophobicContact CE-CG1 3.69Å; M275-V291 HydrophobicContact CE-CG2 3.85Å; V277-V291 HydrophobicContact CB-CG1 4.41Å; V277-V291 HydrophobicContact CG1-CG1 4.2Å; V277-V291 HydrophobicContact CG2-CG1 3.94Å; V291-D511 WeakPolarHBondContact CG2-OD2 3.24Å; V291-D511 PolarHBondContact N-OD2 2.93Å; V291-I529 HydrophobicContact CG1-CD1 4.45Å
292S94.3Very high95.3Very high9 Ų924.9 Ų24.96%0.06314%0.138CC..SBendtrans-117-81-175.7740000112.3A401 S402 M403 C405 D511S292-A401 WeakPolarHBondContact O-CA 3.34Å; S292-S402 PolarHBondContact O-N 2.92Å; S292-M403 WeakPolarHBondContact CB-SD 3.44Å; S292-C405 PolarHBondContact O-SG 3.43Å; S292-C405 VanDerWaalsContact O-SG 3.37Å; S292-D511 WeakPolarHBondContact CA-OD1 3.46Å; S292-D511 WeakPolarHBondContact CB-OD1 3.35Å; S292-D511 PolarHBondContact N-OD1 2.94Å; S292-D511 VanDerWaalsContact OG-CG 3.27Å; S292-D511 PolarHBondContact OG-OD1 3.49Å
293L94.9Very high95.2Very high18 Ų1824.2 Ų24.29%0.09414%0.136CC..EExtended strand (participates in β ladder)trans-133.7121.3-171.2-179.566.1000109.9N399 S400 L414 D511L293-N399 HydrophobicContact CD1-CB 4.05Å; L293-S400 WeakPolarHBondContact CA-O 3.34Å; L293-L414 HydrophobicContact CD1-CD2 3.83Å; L293-L414 HydrophobicContact CD2-CD2 3.94Å; L293-D511 PolarHBondContact N-OD1 3.36Å; L293-D511 PolarHBondContact O-N 3Å
294L96.8Very high95.2Very high0 Ų018.8 Ų18.80%011%0.108CC..EExtended strand (participates in β ladder)trans-98.4122.2158.1-80.4159.9000108.4C278 V280 N399 S400 W508 N509 C510 L515 V522C278-L294 HydrophobicContact CB-CD1 4.29Å; V280-L294 HydrophobicContact CG2-CD1 3.66Å; V280-L294 HydrophobicContact CG2-CD2 3.97Å; V280-L294 HydrophobicContact CG2-CG 4.43Å; L294-N399 CarbonylContact O-C 3.56Å; L294-N399 WeakPolarHBondContact O-CA 3.34Å; L294-S400 PolarHBondContact N-O 3.27Å; L294-S400 PolarHBondContact O-N 3.43Å; L294-W508 HydrophobicContact CB-CE3 4.37Å; L294-W508 HydrophobicContact CB-CZ3 4.45Å; L294-N509 CarbonylContact C-O 3.59Å; L294-N509 VanDerWaalsContact CA-O 3.22Å; L294-N509 WeakPolarHBondContact CA-O 3.48Å; L294-C510 HydrophobicContact CD2-CB 3.66Å; L294-L515 HydrophobicContact CD2-CD1 4.4Å; L294-V522 HydrophobicContact CD1-CG1 3.99Å; L294-V522 HydrophobicContact CD1-CG2 4.15Å
295G96.8Very high95.4Very high0 Ų017.8 Ų17.80%09%0.093CC..EExtended strand (participates in β ladder)trans-138.9116.9-176.500000112.9G300 I398 N399 N509G295-G300 PolarHBondContact O-N 3.32Å; G295-I398 WeakPolarHBondContact CA-O 3.44Å; G295-N399 WeakPolarHBondContact CA-OD1 3.32Å; G295-N509 PolarHBondContact N-O 3.16Å; G295-N509 PolarHBondContact O-N 3.44Å
296Y97.2Very high95.2Very high5 Ų514 Ų142%0.027%0.07CC..EExtended strand (participates in β ladder)trans-99.8157.2173.5-172.1-106.8000111.6Y331 A397 I398 F467 S506 W508 T518Y296-Y331 HydrophobicContact CE1-CD2 4.27Å; Y296-Y331 AromaticContact CE1-CG 3.93Å; Y296-Y331 HydrophobicContact CE1-CG 3.93Å; Y296-A397 VanDerWaalsContact O-CA 3.3Å; Y296-A397 WeakPolarHBondContact O-CA 3.47Å; Y296-I398 HydrophobicContact CD1-CD1 4.23Å; Y296-I398 PolarHBondContact N-O 2.99Å; Y296-I398 PolarHBondContact O-N 3.39Å; Y296-F467 AromaticContact CD1-CE1 3.96Å; Y296-F467 HydrophobicContact CD1-CE1 3.96Å; Y296-F467 HydrophobicContact CD1-CZ 4.17Å; Y296-F467 AromaticContact CE1-CE1 3.58Å; Y296-F467 HydrophobicContact CE1-CE1 3.58Å; Y296-F467 AromaticContact CE1-CZ 3.74Å; Y296-F467 HydrophobicContact CE1-CZ 3.74Å; Y296-F467 HydrophobicContact CE2-CE1 4.27Å; Y296-F467 HydrophobicContact CG-CE1 4.48Å; Y296-F467 AromaticContact CZ-CE1 3.76Å; Y296-S506 VanDerWaalsContact CE2-O 3.24Å; Y296-S506 WeakPolarHBondContact CE2-O 3.3Å; Y296-S506 PolarHBondContact OH-N 2.87Å; Y296-W508 AromaticContact CD2-CD1 3.67Å; Y296-W508 AromaticContact CD2-CD2 3.88Å; Y296-W508 HydrophobicContact CD2-CD2 3.88Å; Y296-W508 AromaticContact CD2-CE2 3.55Å; Y296-W508 AromaticContact CD2-CG 3.94Å; Y296-W508 HydrophobicContact CD2-CG 3.94Å; Y296-W508 HydrophobicContact CD2-CZ2 4.09Å; Y296-W508 AromaticContact CD2-NE1 3.43Å; Y296-W508 AromaticContact CE2-NE1 3.98Å; Y296-W508 HydrophobicContact CG-CD2 4.18Å; Y296-W508 AromaticContact CG-CE2 3.82Å; Y296-W508 HydrophobicContact CG-CH2 4.36Å; Y296-W508 AromaticContact CG-CZ2 3.91Å; Y296-W508 HydrophobicContact CG-CZ2 3.91Å; Y296-T518 HydrophobicContact CE2-CG2 3.79Å; Y296-T518 WeakPolarHBondContact OH-CG2 3.21Å
297G95.9Very high94.8Very high0 Ų014 Ų140%07%0.071CC..EExtended strand (participates in β ladder)trans75.6-125.618000000110.6Y299 G300 D301 S506G297-Y299 VanDerWaalsContact C-N 3.29Å; G297-Y299 PolarHBondContact O-N 2.86Å; G297-Y299 VanDerWaalsContact O-N 3.09Å; G297-G300 PolarHBondContact O-N 2.9Å; G297-D301 PolarHBondContact O-N 3.4Å; G297-S506 VanDerWaalsContact CA-OG 3.23Å; G297-S506 WeakPolarHBondContact CA-OG 3.27Å; G297-S506 PolarHBondContact N-OG 2.78Å; G297-S506 PolarHBondContact O-OG 3.34Å
298F95.5Very high94.4Very high20 Ų2020.9 Ų20.99%0.0889%0.094CC..Hα-helixtrans-45.4-48.9-174.6-178.8-98.7000113.9V302 T324 F325 I396 A397 F438 L442F298-V302 HydrophobicContact CD1-CG2 4.45Å; F298-V302 HydrophobicContact CE1-CG2 4.13Å; F298-V302 HydrophobicContact CE2-CG2 4.28Å; F298-V302 HydrophobicContact CZ-CG2 4.03Å; F298-V302 WeakPolarHBondContact O-CB 3.49Å; F298-V302 WeakPolarHBondContact O-CG2 3.28Å; F298-V302 PolarHBondContact O-N 3.39Å; F298-T324 HydrophobicContact CD2-CG2 3.64Å; F298-T324 HydrophobicContact CE2-CG2 3.94Å; F298-T324 HydrophobicContact CG-CG2 4.44Å; F298-F325 HydrophobicContact CE2-CB 4.06Å; F298-I396 HydrophobicContact CB-CG2 4.16Å; F298-I396 PolarHBondContact N-O 3.05Å; F298-A397 HydrophobicContact CB-CB 4.25Å; F298-F438 HydrophobicContact CB-CZ 4.04Å; F298-F438 HydrophobicContact CD1-CE1 4.37Å; F298-F438 AromaticContact CD1-CZ 3.89Å; F298-F438 HydrophobicContact CD1-CZ 3.89Å; F298-F438 AromaticContact CD2-CE1 3.54Å; F298-F438 HydrophobicContact CD2-CE1 3.54Å; F298-F438 AromaticContact CD2-CZ 3.75Å; F298-F438 HydrophobicContact CD2-CZ 3.75Å; F298-F438 HydrophobicContact CE1-CE1 4.48Å; F298-F438 HydrophobicContact CE1-CZ 4.27Å; F298-F438 AromaticContact CE2-CE1 3.68Å; F298-F438 HydrophobicContact CE2-CE1 3.68Å; F298-F438 HydrophobicContact CE2-CZ 4.16Å; F298-F438 AromaticContact CG-CE1 3.92Å; F298-F438 HydrophobicContact CG-CE1 3.92Å; F298-F438 AromaticContact CG-CZ 3.6Å; F298-F438 HydrophobicContact CG-CZ 3.6Å; F298-F438 HydrophobicContact CZ-CE1 4.15Å; F298-F438 HydrophobicContact CZ-CZ 4.41Å; F298-L442 HydrophobicContact CE1-CD1 4.37Å; F298-L442 HydrophobicContact CE1-CD2 4.08Å; F298-L442 HydrophobicContact CZ-CD1 4.01Å
299Y93.9Very high94Very high37 Ų3721.6 Ų21.615%0.14510%0.098CC..Hα-helixtrans-71.6-35.8-178.2-69.7-81.6000113.4G297 L303 A397 N399 L414G297-Y299 VanDerWaalsContact C-N 3.29Å; G297-Y299 PolarHBondContact O-N 2.86Å; G297-Y299 VanDerWaalsContact O-N 3.09Å; Y299-L303 WeakPolarHBondContact O-CB 3.41Å; Y299-L303 PolarHBondContact O-N 2.52Å; Y299-A397 HydrophobicContact CD2-CB 4.25Å; Y299-A397 HydrophobicContact CE2-CB 4.46Å; Y299-N399 WeakPolarHBondContact CD2-OD1 3.38Å; Y299-N399 WeakPolarHBondContact CE2-ND2 3.48Å; Y299-L414 HydrophobicContact CE1-CD2 4.18Å; Y299-L414 HydrophobicContact CE2-CD2 4.14Å
300G94.6Very high93.3Very high0 Ų029.7 Ų29.70%013%0.129CC..Hα-helixtrans-68.3-40.9174.800000112.8G295 G297 L303 T304 S507G295-G300 PolarHBondContact O-N 3.32Å; G297-G300 PolarHBondContact O-N 2.9Å; G300-L303 PolarHBondContact O-N 2.92Å; G300-T304 WeakPolarHBondContact O-CB 3.43Å; G300-T304 PolarHBondContact O-N 3.18Å; G300-T304 PolarHBondContact O-OG1 3.35Å; G300-S507 WeakPolarHBondContact CA-O 3.39Å
301D94.8Very high92.6Very high26 Ų2639.3 Ų39.314%0.13917%0.165CC..Hα-helixtrans-66-44.5176.1-67.9-14.7000111.6G297 L303 T304 D305 T324 Y331 S506G297-D301 PolarHBondContact O-N 3.4Å; D301-L303 VanDerWaalsContact C-N 3.34Å; D301-L303 PolarHBondContact O-N 2.73Å; D301-T304 PolarHBondContact O-N 2.71Å; D301-D305 WeakPolarHBondContact O-CB 3.42Å; D301-D305 PolarHBondContact O-N 3.04Å; D301-T324 HydrophobicContact CB-CG2 3.62Å; D301-Y331 VanDerWaalsContact CG-OH 3.29Å; D301-Y331 PolarHBondContact OD1-OH 3.34Å; D301-Y331 PolarHBondContact OD2-OH 2.92Å; D301-S506 WeakPolarHBondContact OD1-CB 3.36Å; D301-S506 PolarHBondContact OD1-OG 2.54Å
302V94.1Very high92Very high19 Ų1942 Ų4212%0.11518%0.179CC..Hα-helixtrans-59.3-46.6174.4168.80000110.5F298 S306 T324F298-V302 HydrophobicContact CD1-CG2 4.45Å; F298-V302 HydrophobicContact CE1-CG2 4.13Å; F298-V302 HydrophobicContact CE2-CG2 4.28Å; F298-V302 HydrophobicContact CZ-CG2 4.03Å; F298-V302 WeakPolarHBondContact O-CB 3.49Å; F298-V302 WeakPolarHBondContact O-CG2 3.28Å; F298-V302 PolarHBondContact O-N 3.39Å; V302-S306 WeakPolarHBondContact O-CB 3.35Å; V302-S306 PolarHBondContact O-N 2.87Å; V302-S306 PolarHBondContact O-OG 3.01Å; V302-T324 HydrophobicContact CG2-CG2 3.97Å
303L93.1Very high91.4Very high10 Ų1042.9 Ų42.95%0.05219%0.19CC..Hα-helixtrans-60.5-50.9177.5-177.663.8000110.4Y299 G300 D301 D305 S306 E307 N509 I514Y299-L303 WeakPolarHBondContact O-CB 3.41Å; Y299-L303 PolarHBondContact O-N 2.52Å; G300-L303 PolarHBondContact O-N 2.92Å; D301-L303 VanDerWaalsContact C-N 3.34Å; D301-L303 PolarHBondContact O-N 2.73Å; L303-D305 PolarHBondContact O-N 3.28Å; L303-S306 PolarHBondContact O-N 2.9Å; L303-S306 PolarHBondContact O-OG 3.04Å; L303-E307 HydrophobicContact CD1-CG 4.12Å; L303-E307 HydrophobicContact CG-CG 4.29Å; L303-E307 WeakPolarHBondContact O-CG 3.14Å; L303-E307 PolarHBondContact O-N 2.99Å; L303-N509 HydrophobicContact CB-CB 4.32Å; L303-N509 HydrophobicContact CD2-CB 3.75Å; L303-N509 WeakPolarHBondContact CD2-OD1 3.43Å; L303-I514 HydrophobicContact CD2-CG1 3.71Å; L303-I514 HydrophobicContact CG-CD1 4.46Å; L303-I514 HydrophobicContact CG-CG1 3.92Å
304T92.5Very high90.7Very high27 Ų2746.4 Ų46.417%0.16621%0.214CC..Hα-helixtrans-55.3-46.3-179.6-59.10000112.6G300 D301G300-T304 WeakPolarHBondContact O-CB 3.43Å; G300-T304 PolarHBondContact O-N 3.18Å; G300-T304 PolarHBondContact O-OG1 3.35Å; D301-T304 PolarHBondContact O-N 2.71Å
305D92.5Very high90.2Very high16 Ų1649 Ų499%0.08624%0.236CC..Hα-helixtrans-68.7-39.5176.5-173.683.3000111.8D301 L303 E307 R308 N309 S320 K323D301-D305 WeakPolarHBondContact O-CB 3.42Å; D301-D305 PolarHBondContact O-N 3.04Å; L303-D305 PolarHBondContact O-N 3.28Å; D305-E307 VanDerWaalsContact C-N 3.3Å; D305-E307 PolarHBondContact O-N 3.07Å; D305-R308 WeakPolarHBondContact O-CB 3.45Å; D305-R308 PolarHBondContact O-N 3.5Å; D305-N309 PolarHBondContact O-N 2.88Å; D305-N309 PolarHBondContact O-ND2 3.09Å; D305-N309 VanDerWaalsContact O-ND2 3.13Å; D305-N309 PolarHBondContact OD2-ND2 3.4Å; D305-N309 VanDerWaalsContact OD2-ND2 3.15Å; D305-S320 WeakPolarHBondContact OD2-CA 3.42Å; D305-S320 VanDerWaalsContact OD2-CB 3.28Å; D305-S320 WeakPolarHBondContact OD2-CB 3.38Å; D305-S320 PolarHBondContact OD2-OG 2.85Å; D305-K323 IonicContact OD1-NZ 2.7Å; D305-K323 PolarHBondContact OD1-NZ 3.29Å
306S90.8Very high89.7Confident0 Ų050.2 Ų50.20%024%0.24CC..Hα-helixtrans-66.2-32.2-178.881.20000112.8V302 L303 N309 R310 R316 S320V302-S306 WeakPolarHBondContact O-CB 3.35Å; V302-S306 PolarHBondContact O-N 2.87Å; V302-S306 PolarHBondContact O-OG 3.01Å; L303-S306 PolarHBondContact O-N 2.9Å; L303-S306 PolarHBondContact O-OG 3.04Å; S306-N309 CarbonylContact O-C 3.33Å; S306-N309 PolarHBondContact O-N 2.95Å; S306-N309 VanDerWaalsContact O-N 3.13Å; S306-R310 PolarHBondContact O-N 3.41Å; S306-R316 VanDerWaalsContact C-NH1 3.28Å; S306-R316 WeakPolarHBondContact O-CD 3.34Å; S306-R316 PolarHBondContact O-NH1 2.94Å; S306-S320 VanDerWaalsContact CA-OG 3.23Å; S306-S320 WeakPolarHBondContact CA-OG 2.95Å; S306-S320 PolarHBondContact N-OG 3.15Å; S306-S320 VanDerWaalsContact N-OG 3.12Å
307E88.7Confident89.2Confident40 Ų4053.7 Ų53.719%0.18725%0.254CS..Hα-helixtrans-67.8-36.2177-72-57.3124.300111.8L303 D305 N309 R310 R316 I514L303-E307 HydrophobicContact CD1-CG 4.12Å; L303-E307 HydrophobicContact CG-CG 4.29Å; L303-E307 WeakPolarHBondContact O-CG 3.14Å; L303-E307 PolarHBondContact O-N 2.99Å; D305-E307 VanDerWaalsContact C-N 3.3Å; D305-E307 PolarHBondContact O-N 3.07Å; E307-N309 PolarHBondContact O-N 3.41Å; E307-R310 WeakPolarHBondContact O-CG 3.34Å; E307-R310 PolarHBondContact O-N 3.2Å; E307-R310 IonicContact OE1-NE 3.38Å; E307-R310 IonicContact OE2-CZ 3.96Å; E307-R310 IonicContact OE2-NE 2.98Å; E307-R310 PolarHBondContact OE2-NE 3.22Å; E307-R310 IonicContact OE2-NH2 3.83Å; E307-R310 PolarHBondContact OE2-NH2 2.72Å; E307-R316 IonicContact OE1-CZ 2.66Å; E307-R316 VanDerWaalsContact OE1-CZ 3.24Å; E307-R316 IonicContact OE1-NH1 2.72Å; E307-R316 PolarHBondContact OE1-NH1 3.44Å; E307-R316 IonicContact OE1-NH2 3.63Å; E307-R316 PolarHBondContact OE1-NH2 3.16Å; E307-R316 IonicContact OE2-NH1 2.72Å; E307-I514 HydrophobicContact CB-CD1 4.27Å; E307-I514 HydrophobicContact CG-CD1 3.95Å
308R89.4Confident88.9Confident189 Ų18957.6 Ų57.671%0.71328%0.275SS*.Hα-helixtrans-65.7-23.6171.4-62.3174.1-176.2178.41.4112.3D305D305-R308 WeakPolarHBondContact O-CB 3.45Å; D305-R308 PolarHBondContact O-N 3.5Å
309N87Confident88.7Confident36 Ų3661 Ų6119%0.19329%0.293CS..THydrogen-bonded Turntrans-107.625.2-175.4-64.9-37.7000113.6D305 S306 E307 W311 L312 R316D305-N309 PolarHBondContact O-N 2.88Å; D305-N309 PolarHBondContact O-ND2 3.09Å; D305-N309 VanDerWaalsContact O-ND2 3.13Å; D305-N309 PolarHBondContact OD2-ND2 3.4Å; D305-N309 VanDerWaalsContact OD2-ND2 3.15Å; S306-N309 CarbonylContact O-C 3.33Å; S306-N309 PolarHBondContact O-N 2.95Å; S306-N309 VanDerWaalsContact O-N 3.13Å; E307-N309 PolarHBondContact O-N 3.41Å; N309-W311 PolarHBondContact O-N 2.91Å; N309-L312 HydrophobicContact CB-CD1 4.18Å; N309-L312 WeakPolarHBondContact O-CB 3.47Å; N309-L312 PolarHBondContact O-N 3.36Å; N309-R316 HydrophobicContact CB-CB 4.27Å
310R82.2Confident88.6Confident171 Ų17159.2 Ų59.265%0.64529%0.286SS*.G310 helixtrans-51.2-30.1-179.7-88.1-178.5177.5175.22.8114.5S306 E307 L312 G313S306-R310 PolarHBondContact O-N 3.41Å; E307-R310 WeakPolarHBondContact O-CG 3.34Å; E307-R310 PolarHBondContact O-N 3.2Å; E307-R310 IonicContact OE1-NE 3.38Å; E307-R310 IonicContact OE2-CZ 3.96Å; E307-R310 IonicContact OE2-NE 2.98Å; E307-R310 PolarHBondContact OE2-NE 3.22Å; E307-R310 IonicContact OE2-NH2 3.83Å; E307-R310 PolarHBondContact OE2-NH2 2.72Å; R310-L312 PolarHBondContact O-N 2.78Å; R310-G313 PolarHBondContact O-N 2.59Å; R310-G313 VanDerWaalsContact O-N 3.11Å
311W83.4Confident88.6Confident203 Ų20360 Ų6077%0.76930%0.295SS*.G310 helixtrans-62.8-20.9179.367.1-90.1000113.9N309 G313N309-W311 PolarHBondContact O-N 2.91Å; W311-G313 VanDerWaalsContact C-N 3.27Å; W311-G313 PolarHBondContact O-N 3.18Å
312L83.6Confident88.5Confident55 Ų5564.9 Ų64.929%0.28832%0.315SS..G310 helixtrans-78.8-5.7176.1-71.6173.9000113.8N309 R310 R316 L319N309-L312 HydrophobicContact CB-CD1 4.18Å; N309-L312 WeakPolarHBondContact O-CB 3.47Å; N309-L312 PolarHBondContact O-N 3.36Å; R310-L312 PolarHBondContact O-N 2.78Å; L312-R316 HydrophobicContact CB-CB 4.14Å; L312-L319 HydrophobicContact CD1-CD2 3.66Å
313G81.4Confident88.5Confident29 Ų2969.1 Ų69.130%0.29933%0.332SS..G310 helixtrans59.8-147.4-174.100000111.8R310 W311 A315 R316R310-G313 PolarHBondContact O-N 2.59Å; R310-G313 VanDerWaalsContact O-N 3.11Å; W311-G313 VanDerWaalsContact C-N 3.27Å; W311-G313 PolarHBondContact O-N 3.18Å; G313-A315 PolarHBondContact O-N 2.99Å; G313-A315 VanDerWaalsContact O-N 3.1Å; G313-R316 VanDerWaalsContact O-CB 3.29Å; G313-R316 WeakPolarHBondContact O-CB 3.15Å; G313-R316 VanDerWaalsContact O-CD 3.24Å; G313-R316 WeakPolarHBondContact O-CD 3.24Å; G313-R316 WeakPolarHBondContact O-CG 3.29Å; G313-R316 PolarHBondContact O-N 2.73Å; G313-R316 VanDerWaalsContact O-N 3.09Å
314P80.1Confident88.5Confident92 Ų9269.1 Ų69.160%0.59733%0.332SS*.G310 helixtrans-57.5-26.8-175.3-2735.7000115.6R316 Y317P314-R316 PolarHBondContact O-N 3.47Å; P314-R316 VanDerWaalsContact O-N 3.16Å; P314-Y317 WeakPolarHBondContact O-CD2 3.33Å; P314-Y317 PolarHBondContact O-N 3.27Å
315A85.6Confident88.6Confident54 Ų5469.5 Ų69.545%0.44633%0.332SS..G310 helixtrans-63.7-19178.800000113.2G313 Y317 D318 L319G313-A315 PolarHBondContact O-N 2.99Å; G313-A315 VanDerWaalsContact O-N 3.1Å; A315-Y317 PolarHBondContact O-N 2.83Å; A315-D318 PolarHBondContact O-N 2.8Å; A315-L319 PolarHBondContact O-N 3.37Å
316R87.4Confident88.6Confident26 Ų2673 Ų7310%0.09835%0.35CS..Hα-helixtrans-53.6-38.5176.672.9-168.5-168.2124.7-2.3112.6S306 E307 N309 L312 G313 P314 D318 S320S306-R316 VanDerWaalsContact C-NH1 3.28Å; S306-R316 WeakPolarHBondContact O-CD 3.34Å; S306-R316 PolarHBondContact O-NH1 2.94Å; E307-R316 IonicContact OE1-CZ 2.66Å; E307-R316 VanDerWaalsContact OE1-CZ 3.24Å; E307-R316 IonicContact OE1-NH1 2.72Å; E307-R316 PolarHBondContact OE1-NH1 3.44Å; E307-R316 IonicContact OE1-NH2 3.63Å; E307-R316 PolarHBondContact OE1-NH2 3.16Å; E307-R316 IonicContact OE2-NH1 2.72Å; N309-R316 HydrophobicContact CB-CB 4.27Å; L312-R316 HydrophobicContact CB-CB 4.14Å; G313-R316 VanDerWaalsContact O-CB 3.29Å; G313-R316 WeakPolarHBondContact O-CB 3.15Å; G313-R316 VanDerWaalsContact O-CD 3.24Å; G313-R316 WeakPolarHBondContact O-CD 3.24Å; G313-R316 WeakPolarHBondContact O-CG 3.29Å; G313-R316 PolarHBondContact O-N 2.73Å; G313-R316 VanDerWaalsContact O-N 3.09Å; P314-R316 PolarHBondContact O-N 3.47Å; P314-R316 VanDerWaalsContact O-N 3.16Å; R316-D318 PolarHBondContact O-N 3Å; R316-S320 VanDerWaalsContact O-CB 3.25Å; R316-S320 WeakPolarHBondContact O-CB 3.48Å; R316-S320 PolarHBondContact O-N 3.46Å; R316-S320 PolarHBondContact O-OG 3.23Å
317Y86.6Confident88.7Confident78 Ų7875.9 Ų75.931%0.30637%0.37SS..Hα-helixtrans-68.5-36.7-177.3-61.5-64.7000112.2P314 A315 G321P314-Y317 WeakPolarHBondContact O-CD2 3.33Å; P314-Y317 PolarHBondContact O-N 3.27Å; A315-Y317 PolarHBondContact O-N 2.83Å; Y317-G321 WeakPolarHBondContact O-CA 3.49Å; Y317-G321 PolarHBondContact O-N 2.81Å
318D89.1Confident88.9Confident82 Ų8275.1 Ų75.144%0.43937%0.366SS..Hα-helixtrans-71-43.3179.2-65.3-29.5000111.3A315 R316 G321 F322 R409A315-D318 PolarHBondContact O-N 2.8Å; R316-D318 PolarHBondContact O-N 3Å; D318-G321 PolarHBondContact O-N 3.03Å; D318-F322 WeakPolarHBondContact O-CB 3.45Å; D318-F322 PolarHBondContact O-N 3.47Å; D318-R409 IonicContact OD1-CZ 3.46Å; D318-R409 IonicContact OD1-NH1 2.68Å; D318-R409 PolarHBondContact OD1-NH1 3.23Å; D318-R409 IonicContact OD1-NH2 3.07Å; D318-R409 PolarHBondContact OD1-NH2 3.14Å; D318-R409 IonicContact OD2-NH1 2.72Å; D318-R409 IonicContact OD2-NH2 2.83Å
319L91.4Very high89.1Confident91 Ų9169.5 Ų69.548%0.47635%0.35SS..Hα-helixtrans-65.7-48.3178.3-175.865.1000111.3L312 A315 F322 K323L312-L319 HydrophobicContact CD1-CD2 3.66Å; A315-L319 PolarHBondContact O-N 3.37Å; L319-F322 PolarHBondContact O-N 2.74Å; L319-K323 WeakPolarHBondContact O-CB 3.3Å; L319-K323 PolarHBondContact O-N 2.85Å
320S93Very high89.4Confident0 Ų072.2 Ų72.20%036%0.359CS..Hα-helixtrans-63.5-42.6176.8-63.10000111.1D305 S306 R316 F322 K323 T324D305-S320 WeakPolarHBondContact OD2-CA 3.42Å; D305-S320 VanDerWaalsContact OD2-CB 3.28Å; D305-S320 WeakPolarHBondContact OD2-CB 3.38Å; D305-S320 PolarHBondContact OD2-OG 2.85Å; S306-S320 VanDerWaalsContact CA-OG 3.23Å; S306-S320 WeakPolarHBondContact CA-OG 2.95Å; S306-S320 PolarHBondContact N-OG 3.15Å; S306-S320 VanDerWaalsContact N-OG 3.12Å; R316-S320 VanDerWaalsContact O-CB 3.25Å; R316-S320 WeakPolarHBondContact O-CB 3.48Å; R316-S320 PolarHBondContact O-N 3.46Å; R316-S320 PolarHBondContact O-OG 3.23Å; S320-F322 PolarHBondContact O-N 3.39Å; S320-K323 PolarHBondContact O-N 2.77Å; S320-T324 WeakPolarHBondContact O-CB 3.41Å; S320-T324 PolarHBondContact O-N 2.8Å; S320-T324 PolarHBondContact O-OG1 3.24Å
321G92.8Very high90Very high17 Ų1764.8 Ų64.818%0.17533%0.331CS..Hα-helixtrans-55.1-49.9173.400000112.9Y317 D318 F325Y317-G321 WeakPolarHBondContact O-CA 3.49Å; Y317-G321 PolarHBondContact O-N 2.81Å; D318-G321 PolarHBondContact O-N 3.03Å; G321-F325 VanDerWaalsContact O-CB 3.25Å; G321-F325 WeakPolarHBondContact O-CB 3.37Å; G321-F325 PolarHBondContact O-N 3.31Å
322F93.6Very high90.5Very high127 Ų12756.1 Ų56.156%0.55730%0.304SS*.Hα-helixtrans-64.4-44.9178.3-178.1-103.9000112.3D318 L319 S320 F325 L326D318-F322 WeakPolarHBondContact O-CB 3.45Å; D318-F322 PolarHBondContact O-N 3.47Å; L319-F322 PolarHBondContact O-N 2.74Å; S320-F322 PolarHBondContact O-N 3.39Å; F322-F325 PolarHBondContact O-N 3.42Å; F322-L326 HydrophobicContact CD1-CD1 4.02Å; F322-L326 HydrophobicContact CE1-CD1 3.42Å; F322-L326 VanDerWaalsContact CE1-CD1 3.42Å; F322-L326 HydrophobicContact CE1-CG 4.16Å; F322-L326 HydrophobicContact CZ-CD1 3.72Å; F322-L326 HydrophobicContact CZ-CD2 4.33Å; F322-L326 HydrophobicContact CZ-CG 4.16Å; F322-L326 WeakPolarHBondContact O-CG 3.45Å; F322-L326 PolarHBondContact O-N 2.95Å
323K93.7Very high91.1Very high108 Ų10853.5 Ų53.547%0.4729%0.291SS..Hα-helixtrans-60-51.3178.1-179.4-176.2172.1-171.40111.4D305 L319 S320 F325 L326 S327D305-K323 IonicContact OD1-NZ 2.7Å; D305-K323 PolarHBondContact OD1-NZ 3.29Å; L319-K323 WeakPolarHBondContact O-CB 3.3Å; L319-K323 PolarHBondContact O-N 2.85Å; S320-K323 PolarHBondContact O-N 2.77Å; K323-F325 VanDerWaalsContact C-N 3.29Å; K323-F325 PolarHBondContact O-N 2.8Å; K323-L326 PolarHBondContact O-N 2.77Å; K323-L326 VanDerWaalsContact O-N 3.17Å; K323-S327 PolarHBondContact O-N 2.86Å; K323-S327 VanDerWaalsContact O-N 3.08Å; K323-S327 PolarHBondContact O-OG 2.94Å
324T93.6Very high91.9Very high11 Ų1153 Ų537%0.06728%0.282CS..Hα-helixtrans-62.7-38.4179.2-56.70000111.3F298 D301 V302 S320 L326 S327 H328F298-T324 HydrophobicContact CD2-CG2 3.64Å; F298-T324 HydrophobicContact CE2-CG2 3.94Å; F298-T324 HydrophobicContact CG-CG2 4.44Å; D301-T324 HydrophobicContact CB-CG2 3.62Å; V302-T324 HydrophobicContact CG2-CG2 3.97Å; S320-T324 WeakPolarHBondContact O-CB 3.41Å; S320-T324 PolarHBondContact O-N 2.8Å; S320-T324 PolarHBondContact O-OG1 3.24Å; T324-L326 VanDerWaalsContact C-N 3.34Å; T324-L326 PolarHBondContact O-N 3.34Å; T324-S327 PolarHBondContact O-N 2.85Å; T324-H328 PolarHBondContact O-N 3.39Å
325F94.6Very high92.7Very high35 Ų3548.6 Ų48.615%0.15425%0.253CS..Hα-helixtrans-60.7-40.6174.9173.8-95.7000112.4F298 G321 F322 K323 H328 R435 F438 F439 L442F298-F325 HydrophobicContact CE2-CB 4.06Å; G321-F325 VanDerWaalsContact O-CB 3.25Å; G321-F325 WeakPolarHBondContact O-CB 3.37Å; G321-F325 PolarHBondContact O-N 3.31Å; F322-F325 PolarHBondContact O-N 3.42Å; K323-F325 VanDerWaalsContact C-N 3.29Å; K323-F325 PolarHBondContact O-N 2.8Å; F325-H328 PolarHBondContact O-N 2.74Å; F325-R435 HydrophobicContact CZ-CB 4.42Å; F325-F438 AromaticContact CD2-CD1 3.83Å; F325-F438 HydrophobicContact CD2-CD1 3.83Å; F325-F438 HydrophobicContact CD2-CE1 4.17Å; F325-F438 AromaticContact CE2-CD1 3.99Å; F325-F438 HydrophobicContact CE2-CD1 3.99Å; F325-F439 HydrophobicContact CE2-CB 3.76Å; F325-F439 HydrophobicContact CE2-CD2 4.37Å; F325-F439 HydrophobicContact CZ-CB 3.72Å; F325-F439 HydrophobicContact CZ-CD2 4.19Å; F325-F439 HydrophobicContact CZ-CG 4.33Å; F325-L442 HydrophobicContact CD2-CD1 4Å
326L93Very high93.3Very high89 Ų8946.1 Ų46.147%0.46623%0.232SC..Hα-helixtrans-67.4-41.3176.3-69.6-178.8000112.3F322 K323 T324 H328 R435F322-L326 HydrophobicContact CD1-CD1 4.02Å; F322-L326 HydrophobicContact CE1-CD1 3.42Å; F322-L326 VanDerWaalsContact CE1-CD1 3.42Å; F322-L326 HydrophobicContact CE1-CG 4.16Å; F322-L326 HydrophobicContact CZ-CD1 3.72Å; F322-L326 HydrophobicContact CZ-CD2 4.33Å; F322-L326 HydrophobicContact CZ-CG 4.16Å; F322-L326 WeakPolarHBondContact O-CG 3.45Å; F322-L326 PolarHBondContact O-N 2.95Å; K323-L326 PolarHBondContact O-N 2.77Å; K323-L326 VanDerWaalsContact O-N 3.17Å; T324-L326 VanDerWaalsContact C-N 3.34Å; T324-L326 PolarHBondContact O-N 3.34Å; L326-H328 VanDerWaalsContact C-N 3.33Å; L326-H328 PolarHBondContact O-N 3.43Å; L326-R435 PolarHBondContact O-NE 3.27Å; L326-R435 PolarHBondContact O-NH2 2.91Å
327S91.6Very high93.8Very high60 Ų6045.1 Ų45.142%0.4223%0.229SC..Hα-helixtrans-58.9-44.2175-66.90000111.6K323 T324 N329K323-S327 PolarHBondContact O-N 2.86Å; K323-S327 VanDerWaalsContact O-N 3.08Å; K323-S327 PolarHBondContact O-OG 2.94Å; T324-S327 PolarHBondContact O-N 2.85Å; S327-N329 VanDerWaalsContact C-N 3.31Å; S327-N329 PolarHBondContact O-N 2.95Å
328H92.9Very high94.2Very high25 Ų2543.4 Ų43.412%0.11623%0.225CC..  trans54.943.8174.3-157.376.3000113.3T324 F325 L326 C433 R435T324-H328 PolarHBondContact O-N 3.39Å; F325-H328 PolarHBondContact O-N 2.74Å; L326-H328 VanDerWaalsContact C-N 3.33Å; L326-H328 PolarHBondContact O-N 3.43Å; H328-C433 PolarHBondContact NE2-O 2.88Å; H328-R435 HydrophobicContact CB-CG 3.83Å; H328-R435 VanDerWaalsContact CG-CG 3.41Å; H328-R435 WeakPolarHBondContact ND1-CG 3.46Å
329N93.5Very high94.4Very high71 Ų7141.6 Ų41.638%0.3822%0.218SC..  trans-67.1155.6178-64.3-16.9000111.1S327 Y331S327-N329 VanDerWaalsContact C-N 3.31Å; S327-N329 PolarHBondContact O-N 2.95Å; N329-Y331 HydrophobicContact CB-CE2 3.99Å; N329-Y331 WeakPolarHBondContact CB-OH 3.44Å; N329-Y331 PolarHBondContact ND2-OH 2.59Å
330Y94.1Very high94.3Very high93 Ų9338.1 Ų38.137%0.36520%0.202SC..  trans-144.1149.917355.5-95.2000109.5K394 F395 K432Y330-K394 HydrophobicContact CD2-CB 4.01Å; Y330-K394 HydrophobicContact CD2-CD 3.88Å; Y330-K394 HydrophobicContact CD2-CG 4.33Å; Y330-K394 HydrophobicContact CE2-CD 3.73Å; Y330-F395 CarbonylContact C-O 3.45Å; Y330-F395 VanDerWaalsContact CA-O 3.27Å; Y330-F395 WeakPolarHBondContact CA-O 3.47Å; Y330-K432 HydrophobicContact CD1-CD 4Å; Y330-K432 HydrophobicContact CD1-CG 4.04Å; Y330-K432 HydrophobicContact CD2-CD 4.02Å; Y330-K432 HydrophobicContact CE1-CD 3.94Å; Y330-K432 HydrophobicContact CE1-CG 4.41Å; Y330-K432 HydrophobicContact CE2-CD 3.95Å; Y330-K432 HydrophobicContact CG-CB 4.46Å; Y330-K432 HydrophobicContact CG-CD 4.04Å; Y330-K432 HydrophobicContact CG-CG 4.1Å; Y330-K432 VanDerWaalsContact CZ-NZ 3.32Å; Y330-K432 PolarHBondContact OH-NZ 3.22Å
331Y95.1Very high93.7Very high14 Ų1443.6 Ų43.66%0.05523%0.231CC..EExtended strand (participates in β ladder)trans-125.9130.2-166.9-55.2-81.3000109.7Y296 D301 N329 K394 F395 A504Y296-Y331 HydrophobicContact CE1-CD2 4.27Å; Y296-Y331 AromaticContact CE1-CG 3.93Å; Y296-Y331 HydrophobicContact CE1-CG 3.93Å; D301-Y331 VanDerWaalsContact CG-OH 3.29Å; D301-Y331 PolarHBondContact OD1-OH 3.34Å; D301-Y331 PolarHBondContact OD2-OH 2.92Å; N329-Y331 HydrophobicContact CB-CE2 3.99Å; N329-Y331 WeakPolarHBondContact CB-OH 3.44Å; N329-Y331 PolarHBondContact ND2-OH 2.59Å; Y331-K394 CarbonylContact O-C 3.52Å; Y331-K394 WeakPolarHBondContact O-CA 3.5Å; Y331-F395 PolarHBondContact N-O 3.38Å; Y331-F395 PolarHBondContact O-N 3.35Å; Y331-A504 WeakPolarHBondContact CD1-O 3.39Å; Y331-A504 WeakPolarHBondContact CE1-O 3.36Å
332G94.8Very high92.6Very high21 Ų2146.4 Ų46.422%0.21624%0.242CC..EExtended strand (participates in β ladder)trans-88.8134-179.200000111.7G393 W470G332-G393 WeakPolarHBondContact CA-O 3.28Å; G332-W470 PolarHBondContact O-N 3.35Å
333G95.4Very high91.4Very high0 Ų047.5 Ų47.50%025%0.254CS..EExtended strand (participates in β ladder)trans-173.1-176.9177.400000114.1G393 E468 W470G333-G393 PolarHBondContact N-O 2.91Å; G333-G393 PolarHBondContact O-N 3.44Å; G333-G393 VanDerWaalsContact O-N 3.11Å; G333-E468 CarbonylContact C-O 3.56Å; G333-E468 WeakPolarHBondContact CA-O 3.31Å; G333-W470 VanDerWaalsContact CA-CD1 3.45Å; G333-W470 PolarHBondContact O-NE1 2.87Å
334T97.5Very high90.5Very high19 Ų1946.6 Ų46.612%0.11726%0.257CS..EExtended strand (participates in β ladder)trans-114.5124177.3-59.30000108.5V390 H392 F467 E468T334-V390 HydrophobicContact CG2-CG1 3.65Å; T334-H392 VanDerWaalsContact CG2-CE1 3.43Å; T334-H392 WeakPolarHBondContact CG2-CE1 3.21Å; T334-H392 WeakPolarHBondContact CG2-ND1 3.37Å; T334-H392 PolarHBondContact OG1-CE1 3.14Å; T334-H392 PolarHBondContact OG1-ND1 2.87Å; T334-F467 WeakPolarHBondContact O-CA 3.49Å; T334-E468 PolarHBondContact N-O 2.84Å; T334-E468 PolarHBondContact O-N 3.35Å
335V98.1Very high89.5Confident0 Ų046.1 Ų46.10%026%0.255CS..EExtended strand (participates in β ladder)trans-104.8121.9170.5179.90000107F337 I391 F395 I398 L427 L429 R466 F467V335-F337 HydrophobicContact CG1-CD1 4.31Å; V335-I391 PolarHBondContact N-O 2.82Å; V335-I391 PolarHBondContact O-N 3.49Å; V335-F395 HydrophobicContact CG2-CE2 4.05Å; V335-F395 HydrophobicContact CG2-CZ 4.01Å; V335-I398 HydrophobicContact CG2-CD1 3.9Å; V335-L427 HydrophobicContact CG1-CD2 3.85Å; V335-L429 HydrophobicContact CG1-CD2 4.29Å; V335-L429 HydrophobicContact CG2-CD2 4.16Å; V335-R466 WeakPolarHBondContact CA-O 3.47Å; V335-F467 HydrophobicContact CG2-CD2 3.81Å; V335-F467 HydrophobicContact CG2-CE2 4.46Å
336S97.9Very high89Confident1 Ų147.5 Ų47.51%0.00726%0.261CS..EExtended strand (participates in β ladder)trans-112.4141.6166.3-38.30000109.2W388 N389 F465 R466S336-W388 WeakPolarHBondContact O-CZ3 3.29Å; S336-N389 CarbonylContact C-O 3.52Å; S336-N389 WeakPolarHBondContact CA-O 3.43Å; S336-F465 CarbonylContact O-C 3.58Å; S336-F465 WeakPolarHBondContact O-CA 3.38Å; S336-F465 WeakPolarHBondContact O-CB 3.44Å; S336-R466 VanDerWaalsContact CB-NE 3.29Å; S336-R466 PolarHBondContact N-O 3.24Å; S336-R466 PolarHBondContact O-N 3.22Å; S336-R466 PolarHBondContact OG-NE 2.59Å; S336-R466 PolarHBondContact OG-NH2 3.18Å
337F97.4Very high88.6Confident5 Ų543.5 Ų43.52%0.02224%0.241CC..EExtended strand (participates in β ladder)trans-147.5151.5177.963.1-88.6000113.5V335 W388 N389 I391 L427 H460 V462 K464 F465V335-F337 HydrophobicContact CG1-CD1 4.31Å; F337-W388 VanDerWaalsContact C-CE3 3.49Å; F337-W388 WeakPolarHBondContact O-CA 3.21Å; F337-N389 HydrophobicContact CD1-CB 4.28Å; F337-N389 HydrophobicContact CD2-CB 4.19Å; F337-N389 HydrophobicContact CE1-CB 3.78Å; F337-N389 HydrophobicContact CE2-CB 3.7Å; F337-N389 HydrophobicContact CG-CB 4.48Å; F337-N389 HydrophobicContact CZ-CB 3.48Å; F337-N389 VanDerWaalsContact CZ-CB 3.48Å; F337-N389 PolarHBondContact N-O 2.94Å; F337-N389 PolarHBondContact O-N 3.38Å; F337-I391 HydrophobicContact CE1-CD1 3.66Å; F337-I391 HydrophobicContact CE1-CG1 4.05Å; F337-I391 HydrophobicContact CZ-CD1 4.28Å; F337-L427 HydrophobicContact CB-CD2 3.84Å; F337-L427 HydrophobicContact CD1-CD2 3.89Å; F337-L427 HydrophobicContact CG-CD2 3.94Å; F337-H460 HydrophobicContact CD2-CB 4.32Å; F337-H460 HydrophobicContact CE2-CB 3.83Å; F337-H460 AromaticContact CE2-CG 3.78Å; F337-H460 AromaticContact CE2-ND1 3.89Å; F337-H460 HydrophobicContact CZ-CB 4.08Å; F337-H460 AromaticContact CZ-CD2 3.79Å; F337-H460 AromaticContact CZ-CE1 3.82Å; F337-H460 AromaticContact CZ-CG 3.53Å; F337-H460 AromaticContact CZ-ND1 3.56Å; F337-H460 AromaticContact CZ-NE2 3.97Å; F337-V462 HydrophobicContact CB-CB 4.3Å; F337-V462 HydrophobicContact CB-CG1 3.82Å; F337-V462 HydrophobicContact CD2-CB 4.45Å; F337-V462 HydrophobicContact CD2-CG1 3.38Å; F337-V462 HydrophobicContact CE2-CG1 4.16Å; F337-V462 HydrophobicContact CG-CG1 3.82Å; F337-K464 CarbonylContact C-O 3.55Å; F337-K464 VanDerWaalsContact CA-O 3.29Å; F337-K464 WeakPolarHBondContact CA-O 3.19Å; F337-K464 WeakPolarHBondContact CB-O 3.45Å; F337-F465 HydrophobicContact CB-CB 3.71Å
338L95.7Very high88.3Confident43 Ų4345.9 Ų45.923%0.22524%0.241CC..EExtended strand (participates in β ladder)trans-99.6111.8171.3-172.869.2000108.7W388 V462 R463 K464L338-W388 HydrophobicContact CB-CD2 4.49Å; L338-V462 VanDerWaalsContact O-CA 3.32Å; L338-V462 WeakPolarHBondContact O-CA 3.22Å; L338-V462 WeakPolarHBondContact O-CB 3.46Å; L338-R463 PolarHBondContact O-N 3.37Å; L338-K464 HydrophobicContact CB-CB 4.24Å; L338-K464 PolarHBondContact N-O 3.11Å
339P93.4Very high87.7Confident44 Ų4448.1 Ų48.129%0.28625%0.254SS..EExtended strand (participates in β ladder)trans-66.5160.1179.530.6-35.2000111G387 N389 R461P339-G387 WeakPolarHBondContact CD-O 3.49Å; P339-N389 WeakPolarHBondContact CD-ND2 3.5Å; P339-R461 WeakPolarHBondContact CA-O 3.2Å
340A89.7Confident87.1Confident17 Ų1752.6 Ų52.614%0.1427%0.27CS..  trans-70.4138.1168.100000110.7D342 T424 R461A340-D342 PolarHBondContact O-N 3.01Å; A340-T424 HydrophobicContact CB-CG2 3.71Å; A340-R461 HydrophobicContact CB-CG 4.08Å; A340-R461 PolarHBondContact N-O 3.23Å
341D79.1Confident86.8Confident116 Ų11652.4 Ų52.462%0.6228%0.275SS*.SBendtrans-65-23.9179.6-53.1-31.1000113.4R463D341-R463 IonicContact OD1-NH1 3.82Å; D341-R463 IonicContact OD1-NH2 3.74Å; D341-R463 IonicContact OD2-CZ 3.75Å; D341-R463 IonicContact OD2-NH1 2.63Å; D341-R463 PolarHBondContact OD2-NH1 2.85Å; D341-R463 IonicContact OD2-NH2 3.11Å; D341-R463 PolarHBondContact OD2-NH2 2.98Å
342D70.9Confident86.5Confident75 Ų7555.7 Ų55.740%0.40129%0.29SS..  trans-101131-170.6-50.4-44.9000111.4A340 V344 K363 R461A340-D342 PolarHBondContact O-N 3.01Å; D342-V344 PolarHBondContact O-N 2.78Å; D342-K363 IonicContact OD2-NZ 3.57Å; D342-K363 PolarHBondContact OD2-NZ 3.38Å; D342-R461 PolarHBondContact O-NH1 2.99Å; D342-R461 VanDerWaalsContact O-NH1 3.08Å
343N66.6Low86.4Confident150 Ų15055.5 Ų55.580%0.80229%0.285SS*.  trans-77.44.3176.3-72.8-34.3000114.2
344V74.8Confident86.3Confident89 Ų8958.9 Ų58.954%0.53930%0.298SS..THydrogen-bonded Turntrans-99.7121.7-175.7-178.30000110.7D342 I359 R461D342-V344 PolarHBondContact O-N 2.78Å; V344-I359 HydrophobicContact CG1-CD1 3.87Å; V344-I359 HydrophobicContact CG1-CG1 3.91Å; V344-R461 PolarHBondContact O-NH1 3.23Å; V344-R461 PolarHBondContact O-NH2 3.13Å; V344-R461 VanDerWaalsContact O-NH2 3.07Å
345G74.1Confident86.1Confident2 Ų260.2 Ų60.22%0.02131%0.309CS..THydrogen-bonded Turntrans96.826.7-177.900000112.4D349 R461G345-D349 PolarHBondContact N-OD2 2.97Å; G345-R461 VanDerWaalsContact O-CD 3.31Å; G345-R461 WeakPolarHBondContact O-CD 3.32Å; G345-R461 PolarHBondContact O-NE 2.68Å
346H84.3Confident85.8Confident63 Ų6362.2 Ų62.229%0.29233%0.329SS..  trans-67.7147.2176.4-173.3-89.1000110R348 D349H346-R348 PolarHBondContact ND1-N 2.76Å; H346-R348 PolarHBondContact O-N 3.37Å; H346-D349 WeakPolarHBondContact CB-OD2 3.32Å; H346-D349 PolarHBondContact N-OD2 2.92Å; H346-D349 VanDerWaalsContact O-CB 3.32Å; H346-D349 WeakPolarHBondContact O-CB 3.38Å; H346-D349 PolarHBondContact O-N 3.46Å
347P83.1Confident85.5Confident6 Ų663 Ų634%0.03934%0.335CS..THydrogen-bonded Turntrans-60.8-18.1-174.8-30.841.8000114.7D426 F452 V459P347-D426 HydrophobicContact CG-CB 4.09Å; P347-D426 WeakPolarHBondContact CG-OD1 3.25Å; P347-D426 VanDerWaalsContact CG-OD2 3.32Å; P347-D426 WeakPolarHBondContact CG-OD2 3.35Å; P347-F452 HydrophobicContact CB-CE2 3.82Å; P347-F452 HydrophobicContact CB-CZ 4.08Å; P347-V459 HydrophobicContact CB-CG1 4.4Å; P347-V459 HydrophobicContact CB-CG2 3.76Å; P347-V459 HydrophobicContact CG-CG2 3.79Å
348R85.3Confident85.1Confident109 Ų10972 Ų7241%0.41137%0.368SS..THydrogen-bonded Turntrans-97.6-3.4177.3-65.7-175.2167.3-148.3-1.3114.5H346 K350 F452 V459H346-R348 PolarHBondContact ND1-N 2.76Å; H346-R348 PolarHBondContact O-N 3.37Å; R348-K350 PolarHBondContact O-N 3.04Å; R348-F452 HydrophobicContact CG-CD2 4.16Å; R348-F452 PolarHBondContact NH2-O 3.08Å; R348-V459 HydrophobicContact CG-CG1 4.35Å
349D81.9Confident84.9Confident73 Ų7371.3 Ų71.339%0.3937%0.365SS..SBendtrans-71.8-12.1179-67.1-13.4000112.4G345 H346 L351G345-D349 PolarHBondContact N-OD2 2.97Å; H346-D349 WeakPolarHBondContact CB-OD2 3.32Å; H346-D349 PolarHBondContact N-OD2 2.92Å; H346-D349 VanDerWaalsContact O-CB 3.32Å; H346-D349 WeakPolarHBondContact O-CB 3.38Å; H346-D349 PolarHBondContact O-N 3.46Å; D349-L351 HydrophobicContact CB-CD1 4.38Å; D349-L351 HydrophobicContact CB-CG 4.25Å; D349-L351 PolarHBondContact O-N 3.1Å
350K80.8Confident84.8Confident164 Ų16469.4 Ų69.471%0.71335%0.352SS*.  trans60.69.3-178.7-54.8-178.9-177.5178.20114.3R348 S417R348-K350 PolarHBondContact O-N 3.04Å; K350-S417 VanDerWaalsContact C-OG 3.32Å; K350-S417 VanDerWaalsContact CA-OG 3.22Å; K350-S417 WeakPolarHBondContact CA-OG 3.1Å; K350-S417 PolarHBondContact N-OG 2.61Å
351L86.7Confident84.6Confident90 Ų9074.2 Ų74.247%0.47137%0.372SS..  trans-72.1126.1169-63.1176.2000108.1D349 I359 S417D349-L351 HydrophobicContact CB-CD1 4.38Å; D349-L351 HydrophobicContact CB-CG 4.25Å; D349-L351 PolarHBondContact O-N 3.1Å; L351-I359 HydrophobicContact CD1-CD1 4.03Å; L351-S417 PolarHBondContact N-OG 3.37Å; L351-S417 VanDerWaalsContact O-CA 3.27Å; L351-S417 WeakPolarHBondContact O-CA 3.16Å; L351-S417 WeakPolarHBondContact O-CB 3.46Å; L351-S417 PolarHBondContact O-OG 3.05Å
352Q90.1Very high84.5Confident82 Ų8274.5 Ų74.538%0.38337%0.369SS..  trans-102.5142.3-179.7-61.5-169.7-53.300110.2R354Q352-R354 HydrophobicContact CB-CG 4.35Å; Q352-R354 PolarHBondContact O-N 3.21Å; Q352-R354 VanDerWaalsContact O-N 3.14Å
353C92.4Very high84.3Confident17 Ų1773 Ų7312%0.11536%0.359CS..  trans-71.6108172.9-167.60000110.4C360 H419C353-C360 VanDerWaalsContact SG-SG 3.68Å; C353-H419 HydrophobicContact CB-CB 4.5Å
354R92.9Very high83.7Confident72 Ų7270.8 Ų70.827%0.27234%0.343SS..  trans-122.2172.7-178.8-61.8-60.2-176.9-172.92.3110.9Q352 G356 C357 I536Q352-R354 HydrophobicContact CB-CG 4.35Å; Q352-R354 PolarHBondContact O-N 3.21Å; Q352-R354 VanDerWaalsContact O-N 3.14Å; R354-G356 PolarHBondContact O-N 3Å; R354-C357 VanDerWaalsContact O-CB 3.3Å; R354-C357 WeakPolarHBondContact O-CB 3.44Å; R354-C357 PolarHBondContact O-N 2.8Å; R354-I536 WeakPolarHBondContact CA-O 3.44Å; R354-I536 WeakPolarHBondContact CB-O 3.49Å; R354-I536 WeakPolarHBondContact CD-O 3.44Å
355S93.2Very high82.3Confident47 Ų4769.2 Ų69.233%0.32934%0.336SS..THydrogen-bonded Turntrans-51.3125.4173.6163.30000111.1R534 I536S355-R534 VanDerWaalsContact CA-O 3.27Å; S355-R534 WeakPolarHBondContact CA-O 3.37Å; S355-R534 WeakPolarHBondContact CB-O 3.49Å; S355-R534 WeakPolarHBondContact OG-CG 3.47Å; S355-I536 PolarHBondContact N-O 3.19Å
356G91.1Very high81.1Confident42 Ų4271.7 Ų71.743%0.43335%0.353SS..THydrogen-bonded Turntrans76.126.7-178.200000114.5R354 R358R354-G356 PolarHBondContact O-N 3Å; G356-R358 PolarHBondContact O-N 3.27Å
357C91.9Very high79.2Confident18 Ų1874.1 Ų74.112%0.12236%0.363CS..  trans-57119.4179.9-174.90000112.6R354 I359 C360 Q361 H419R354-C357 VanDerWaalsContact O-CB 3.3Å; R354-C357 WeakPolarHBondContact O-CB 3.44Å; R354-C357 PolarHBondContact O-N 2.8Å; C357-I359 PolarHBondContact O-N 3.45Å; C357-C360 HydrophobicContact CB-CB 4.36Å; C357-C360 PolarHBondContact O-N 2.74Å; C357-Q361 VanDerWaalsContact O-CG 3.3Å; C357-Q361 WeakPolarHBondContact O-CG 3.26Å; C357-Q361 PolarHBondContact O-N 2.9Å; C357-H419 PolarHBondContact SG-CE1 3.43Å; C357-H419 PolarHBondContact SG-ND1 3Å
358R89.9Confident77Confident194 Ų19478.3 Ų78.373%0.73239%0.385SS*.Hα-helixtrans-66.3-36.1-178.9-61.4-176-176.3-171.40.5113.1G356 C360 Q361 H362G356-R358 PolarHBondContact O-N 3.27Å; R358-C360 PolarHBondContact O-N 3.14Å; R358-Q361 PolarHBondContact O-N 3.37Å; R358-Q361 VanDerWaalsContact O-N 3.15Å; R358-H362 PolarHBondContact O-CD2 3.39Å; R358-H362 PolarHBondContact O-N 2.95Å
359I90.2Very high74.5Confident28 Ų2880.6 Ų80.614%0.14440%0.401CS..Hα-helixtrans-60.8-47.6-179.1-64.5172.5000110.1V344 L351 C357 Q361 H362 H419 D422V344-I359 HydrophobicContact CG1-CD1 3.87Å; V344-I359 HydrophobicContact CG1-CG1 3.91Å; L351-I359 HydrophobicContact CD1-CD1 4.03Å; C357-I359 PolarHBondContact O-N 3.45Å; I359-Q361 VanDerWaalsContact C-N 3.31Å; I359-Q361 PolarHBondContact O-N 2.65Å; I359-H362 PolarHBondContact O-N 2.65Å; I359-H419 VanDerWaalsContact CD1-CE1 3.44Å; I359-H419 WeakPolarHBondContact CD1-CE1 3.19Å; I359-H419 WeakPolarHBondContact CD1-NE2 3.33Å; I359-D422 HydrophobicContact CG2-CB 3.88Å
360C91.1Very high72.3Confident4 Ų483.4 Ų83.43%0.02741%0.411CS..Hα-helixtrans-67.4-30.2176.8-57.40000112.9C353 C357 R358 A421C353-C360 VanDerWaalsContact SG-SG 3.68Å; C357-C360 HydrophobicContact CB-CB 4.36Å; C357-C360 PolarHBondContact O-N 2.74Å; R358-C360 PolarHBondContact O-N 3.14Å; C360-A421 WeakPolarHBondContact CA-O 3.41Å; C360-A421 HydrophobicContact CB-CB 3.75Å
361Q86.6Confident70Confident117 Ų11782.5 Ų82.555%0.54741%0.414SS..Hα-helixtrans-75.8-35.2179.1-71.3172.10.500112.9C357 R358 I359 K363 H364C357-Q361 VanDerWaalsContact O-CG 3.3Å; C357-Q361 WeakPolarHBondContact O-CG 3.26Å; C357-Q361 PolarHBondContact O-N 2.9Å; R358-Q361 PolarHBondContact O-N 3.37Å; R358-Q361 VanDerWaalsContact O-N 3.15Å; I359-Q361 VanDerWaalsContact C-N 3.31Å; I359-Q361 PolarHBondContact O-N 2.65Å; Q361-K363 VanDerWaalsContact C-N 3.29Å; Q361-K363 PolarHBondContact O-N 3.08Å; Q361-H364 PolarHBondContact O-N 2.93Å
362H75.9Confident67.5Low122 Ų12287.1 Ų87.157%0.56543%0.433SS*.Hα-helixtrans-67.8-21.4-176.1-85.9-66.9000114.6R358 I359 H364 S365R358-H362 PolarHBondContact O-CD2 3.39Å; R358-H362 PolarHBondContact O-N 2.95Å; I359-H362 PolarHBondContact O-N 2.65Å; H362-H364 VanDerWaalsContact C-N 3.26Å; H362-H364 PolarHBondContact O-N 3.26Å; H362-S365 PolarHBondContact O-N 3.17Å; H362-S365 PolarHBondContact O-OG 2.99Å
363K68.3Low64.8Low43 Ų4387 Ų8719%0.18745%0.446CS..Hα-helixtrans-71.4-20.9177.2-78.8-84172.1-170.90113.1D342 Q361 S366 D422D342-K363 IonicContact OD2-NZ 3.57Å; D342-K363 PolarHBondContact OD2-NZ 3.38Å; Q361-K363 VanDerWaalsContact C-N 3.29Å; Q361-K363 PolarHBondContact O-N 3.08Å; K363-S366 PolarHBondContact O-OG 2.97Å; K363-D422 WeakPolarHBondContact CE-O 3.25Å
364H53.6Low61.8Low104 Ų10490 Ų9048%0.48147%0.467SS..Hα-helixtrans-68.8-43.5173.1-163.5-64.1000111.7Q361 H362 S366 D368Q361-H364 PolarHBondContact O-N 2.93Å; H362-H364 VanDerWaalsContact C-N 3.26Å; H362-H364 PolarHBondContact O-N 3.26Å; H364-S366 VanDerWaalsContact C-N 3.34Å; H364-S366 PolarHBondContact O-N 2.76Å; H364-D368 IonicContact CE1-OD2 3.33Å; H364-D368 PolarHBondContact CE1-OD2 3.07Å; H364-D368 IonicContact ND1-OD2 2.8Å; H364-D368 PolarHBondContact ND1-OD2 2.95Å
365S45.7Very low59Low56 Ų5696.2 Ų96.239%0.39250%0.499SS..Hα-helixtrans-71.7-24-174.845.70000114.3H362 E369H362-S365 PolarHBondContact O-N 3.17Å; H362-S365 PolarHBondContact O-OG 2.99Å; S365-E369 PolarHBondContact O-N 3.02Å
366S48.6Very low55.9Low54 Ų54102.1 Ų102.138%0.37852%0.522SS..Hα-helixtrans-83.7-20.4-178.448.30000114.3K363 H364K363-S366 PolarHBondContact O-OG 2.97Å; H364-S366 VanDerWaalsContact C-N 3.34Å; H364-S366 PolarHBondContact O-N 2.76Å
367K43.7Very low53.3Low115 Ų115110.2 Ų110.250%0.555%0.545SS..Hα-helixtrans-76.1-42169.9-82.3-163.9171.5-159.50111.2E231 E369 H370E231-K367 IonicContact OE1-NZ 3.6Å; E231-K367 PolarHBondContact OE1-NZ 2.91Å; K367-E369 PolarHBondContact O-N 2.82Å; K367-H370 PolarHBondContact O-N 3.14Å
368D36.8Very low50.3Low93 Ų93117.9 Ų117.950%0.49758%0.579SS.*Hα-helixtrans-66-32.4-179-64.1-36.1000113.1H364H364-D368 IonicContact CE1-OD2 3.33Å; H364-D368 PolarHBondContact CE1-OD2 3.07Å; H364-D368 IonicContact ND1-OD2 2.8Å; H364-D368 PolarHBondContact ND1-OD2 2.95Å
369E33.8Very low47.4Very low158 Ų158117.6 Ų117.674%0.73858%0.583SS**THydrogen-bonded Turntrans-76-20.5176.6-74.6-175.9163.300113.8S365 K367S365-E369 PolarHBondContact O-N 3.02Å; K367-E369 PolarHBondContact O-N 2.82Å
370H34.3Very low44.8Very low131 Ų131122.4 Ų122.461%0.60662%0.617SS**THydrogen-bonded Turntrans-85.7-17.9-179.6-110.7-64.8000113.5K367 S374K367-H370 PolarHBondContact O-N 3.14Å; H370-S374 PolarHBondContact O-OG 3.14Å
371D33.6Very low42Very low145 Ų145126.6 Ų126.678%0.77565%0.652SS**SBendtrans-81.8-13.5179.4-84-18.9000113.9
372E33.3Very low39.8Very low187 Ų187130.6 Ų130.687%0.87467%0.67SS**SBendtrans-99.2-2.5176.1-70.7-163.2160.800114.3
373A33.7Very low38.1Very low80 Ų80130.3 Ų130.366%0.66167%0.673SS**SBendtrans-146.656.3-175.800000114.7
374S30.6Very low37.4Very low79 Ų79132.7 Ų132.755%0.55270%0.695SS**  trans-162.167.7160.453.10000113.3H370 E376H370-S374 PolarHBondContact O-OG 3.14Å; S374-E376 PolarHBondContact O-N 3.22Å
375E32.4Very low37.3Very low203 Ų203132.2 Ų132.295%0.94970%0.696SS**  trans-72.357.3155.4-76.8-166.9151.600111.2
376E29.7Very low38Very low172 Ų172140.2 Ų140.280%0.80472%0.717SS**  trans-142.283158.1-73.2-166.2167.200107.8S374 E378S374-E376 PolarHBondContact O-N 3.22Å; E376-E378 VanDerWaalsContact C-N 3.28Å; E376-E378 PolarHBondContact O-N 2.74Å
377K35.3Very low39.6Very low211 Ų211140 Ų14092%0.91772%0.724SS**  trans-62.691.6165-84.8-179.9174.3175.70108.7K379K377-K379 PolarHBondContact O-N 3.08Å
378E30.2Very low42Very low180 Ų180137.6 Ų137.684%0.84171%0.711SS**  trans-61.6127.6156.6-74.5-166.6151.700108.3E376E376-E378 VanDerWaalsContact C-N 3.28Å; E376-E378 PolarHBondContact O-N 2.74Å
379K27.8Very low44.8Very low187 Ų187136.9 Ų136.981%0.81371%0.707SS**  trans-55.3149.4174.2-69.3175.3176.4177.50109.7K377 A381K377-K379 PolarHBondContact O-N 3.08Å; K379-A381 PolarHBondContact O-N 3.05Å
380P35.6Very low47.8Very low130 Ų130132.3 Ų132.384%0.84469%0.69SS**  trans-65.8102.6172.728.1-30.6000107.9E382P380-E382 PolarHBondContact O-N 3.1Å
381A31.7Very low50.8Low92 Ų92127.1 Ų127.176%0.7667%0.667SS**  trans-75.8119.4170.100000107.8K379 D383K379-A381 PolarHBondContact O-N 3.05Å; A381-D383 VanDerWaalsContact C-N 3.3Å; A381-D383 PolarHBondContact O-N 3.15Å
382E42.3Very low53.8Low201 Ų201125.7 Ų125.794%0.93966%0.655SS**  trans-59.293.3158.3-69.8176.5151.100108.3P380P380-E382 PolarHBondContact O-N 3.1Å
383D39.7Very low56.7Low115 Ų115117.3 Ų117.362%0.61562%0.619SS**  trans-152.6101.7151.7-153.92.4000112.9A381A381-D383 VanDerWaalsContact C-N 3.3Å; A381-D383 PolarHBondContact O-N 3.15Å
384S52.2Low59.7Low93 Ų93117.6 Ų117.665%0.6561%0.605SS**  trans-11.3140.5155.1630000121.2R386S384-R386 PolarHBondContact O-N 2.72Å
385D53Low62.8Low94 Ų94113.9 Ų113.950%0.50358%0.579SS.*  trans65.4-4.3152.6-112.617.4000120.8G387 W388 R466D385-G387 PolarHBondContact O-N 3.24Å; D385-W388 PolarHBondContact O-N 3.15Å; D385-R466 IonicContact OD1-NH2 2.84Å
386R58.7Low65.9Low225 Ų225104.3 Ų104.385%0.84954%0.535SS*.THydrogen-bonded Turntrans-64.3112.3174.1-72.7-172.1-177.3-167.13.7111.1S384S384-R386 PolarHBondContact O-N 2.72Å
387G82.9Confident69.1Low49 Ų4996.2 Ų96.251%0.50550%0.497SS..THydrogen-bonded Turntrans101-8.817500000115.5P339 D385P339-G387 WeakPolarHBondContact CD-O 3.49Å; D385-G387 PolarHBondContact O-N 3.24Å
388W93.7Very high72.1Confident65 Ų6586.1 Ų86.125%0.24645%0.453CS..  trans-76.9130.2173.7-7580.4000110.8S336 F337 L338 D385 K464 R466S336-W388 WeakPolarHBondContact O-CZ3 3.29Å; F337-W388 VanDerWaalsContact C-CE3 3.49Å; F337-W388 WeakPolarHBondContact O-CA 3.21Å; L338-W388 HydrophobicContact CB-CD2 4.49Å; D385-W388 PolarHBondContact O-N 3.15Å; W388-K464 HydrophobicContact CH2-CB 3.78Å; W388-K464 HydrophobicContact CZ2-CB 4.16Å; W388-K464 HydrophobicContact CZ2-CD 4.46Å; W388-R466 HydrophobicContact CZ3-CG 4.18Å
389N95.7Very high75.3Confident77 Ų7777.7 Ų77.741%0.41241%0.413SS..EExtended strand (participates in β ladder)trans-92.3138.2167.4-66.7-65.2000109S336 F337 P339S336-N389 CarbonylContact C-O 3.52Å; S336-N389 WeakPolarHBondContact CA-O 3.43Å; F337-N389 HydrophobicContact CD1-CB 4.28Å; F337-N389 HydrophobicContact CD2-CB 4.19Å; F337-N389 HydrophobicContact CE1-CB 3.78Å; F337-N389 HydrophobicContact CE2-CB 3.7Å; F337-N389 HydrophobicContact CG-CB 4.48Å; F337-N389 HydrophobicContact CZ-CB 3.48Å; F337-N389 VanDerWaalsContact CZ-CB 3.48Å; F337-N389 PolarHBondContact N-O 2.94Å; F337-N389 PolarHBondContact O-N 3.38Å; P339-N389 WeakPolarHBondContact CD-ND2 3.5Å
390V96.9Very high78.6Confident62 Ų6268.8 Ų68.838%0.37638%0.375SS..EExtended strand (participates in β ladder)trans-120.6128.6-178.4-173.60000109.9T334 H392T334-V390 HydrophobicContact CG2-CG1 3.65Å; V390-H392 WeakPolarHBondContact CG1-NE2 3.48Å
391I97Very high81.5Confident22 Ų2262.6 Ų62.611%0.11334%0.335CS..EExtended strand (participates in β ladder)trans-124120.9177.2-62.8-179.9000108.9V335 F337 F395 L429V335-I391 PolarHBondContact N-O 2.82Å; V335-I391 PolarHBondContact O-N 3.49Å; F337-I391 HydrophobicContact CE1-CD1 3.66Å; F337-I391 HydrophobicContact CE1-CG1 4.05Å; F337-I391 HydrophobicContact CZ-CD1 4.28Å; I391-F395 HydrophobicContact CG2-CZ 4.1Å; I391-L429 HydrophobicContact CB-CD1 4.48Å; I391-L429 HydrophobicContact CD1-CD1 3.66Å; I391-L429 HydrophobicContact CG2-CD1 4.31Å
392H96.6Very high84.5Confident115 Ų11558.3 Ų58.353%0.53230%0.299SS..EExtended strand (participates in β ladder)trans-98.9143169.5-53.7-78.8000110.1T334 V390 R431T334-H392 VanDerWaalsContact CG2-CE1 3.43Å; T334-H392 WeakPolarHBondContact CG2-CE1 3.21Å; T334-H392 WeakPolarHBondContact CG2-ND1 3.37Å; T334-H392 PolarHBondContact OG1-CE1 3.14Å; T334-H392 PolarHBondContact OG1-ND1 2.87Å; V390-H392 WeakPolarHBondContact CG1-NE2 3.48Å; H392-R431 PolarHBondContact O-NH1 2.79Å
393G95Very high87Confident11 Ų1148.8 Ų48.811%0.11326%0.255CS..EExtended strand (participates in β ladder)trans175.1-177.8177.100000115.2G332 G333 F395 W470G332-G393 WeakPolarHBondContact CA-O 3.28Å; G333-G393 PolarHBondContact N-O 2.91Å; G333-G393 PolarHBondContact O-N 3.44Å; G333-G393 VanDerWaalsContact O-N 3.11Å; G393-F395 WeakPolarHBondContact O-CE2 3.3Å; G393-W470 WeakPolarHBondContact O-CZ2 3.46Å
394K95.8Very high89.5Confident87 Ų8744.2 Ų44.238%0.37823%0.232SC..EExtended strand (participates in β ladder)trans-109.1126.2169.1-65.9-178.2174.1-168.80108.2Y330 Y331 R431 K432 W470Y330-K394 HydrophobicContact CD2-CB 4.01Å; Y330-K394 HydrophobicContact CD2-CD 3.88Å; Y330-K394 HydrophobicContact CD2-CG 4.33Å; Y330-K394 HydrophobicContact CE2-CD 3.73Å; Y331-K394 CarbonylContact O-C 3.52Å; Y331-K394 WeakPolarHBondContact O-CA 3.5Å; K394-R431 CarbonylContact O-C 3.48Å; K394-R431 WeakPolarHBondContact O-CA 3.32Å; K394-K432 HydrophobicContact CB-CB 4.13Å; K394-K432 PolarHBondContact O-N 2.92Å; K394-W470 HydrophobicContact CD-CZ3 4.33Å; K394-W470 VanDerWaalsContact CE-CZ3 3.42Å; K394-W470 HydrophobicContact CG-CH2 3.81Å; K394-W470 HydrophobicContact CG-CZ3 3.9Å
395F96.9Very high91.3Very high1 Ų140.1 Ų40.10%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-119.7135.4-172.3-53.7-82.8000110.5Y330 Y331 V335 I391 G393 I398 L429 V430 R431Y330-F395 CarbonylContact C-O 3.45Å; Y330-F395 VanDerWaalsContact CA-O 3.27Å; Y330-F395 WeakPolarHBondContact CA-O 3.47Å; Y331-F395 PolarHBondContact N-O 3.38Å; Y331-F395 PolarHBondContact O-N 3.35Å; V335-F395 HydrophobicContact CG2-CE2 4.05Å; V335-F395 HydrophobicContact CG2-CZ 4.01Å; I391-F395 HydrophobicContact CG2-CZ 4.1Å; G393-F395 WeakPolarHBondContact O-CE2 3.3Å; F395-I398 HydrophobicContact CB-CD1 4.17Å; F395-I398 HydrophobicContact CB-CG1 3.82Å; F395-I398 HydrophobicContact CD1-CG1 4.25Å; F395-I398 HydrophobicContact CD2-CD1 3.82Å; F395-I398 HydrophobicContact CD2-CG1 4.19Å; F395-I398 HydrophobicContact CE2-CD1 4.39Å; F395-I398 HydrophobicContact CG-CD1 4Å; F395-I398 HydrophobicContact CG-CG1 3.83Å; F395-L429 HydrophobicContact CD1-CB 4.21Å; F395-L429 HydrophobicContact CE1-CB 4.02Å; F395-L429 HydrophobicContact CE1-CD1 4.19Å; F395-L429 HydrophobicContact CE1-CG 4.49Å; F395-V430 CarbonylContact C-O 3.5Å; F395-V430 VanDerWaalsContact CA-O 3.31Å; F395-V430 WeakPolarHBondContact CA-O 3.47Å; F395-R431 HydrophobicContact CD1-CG 4.35Å; F395-R431 HydrophobicContact CE1-CG 4.31Å
396I96.7Very high92.9Very high2 Ų235.9 Ų35.91%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-76.6-38166-68.2168.3000109.1F298 V430 F438F298-I396 HydrophobicContact CB-CG2 4.16Å; F298-I396 PolarHBondContact N-O 3.05Å; I396-V430 HydrophobicContact CB-CG1 4.37Å; I396-V430 PolarHBondContact N-O 2.89Å; I396-F438 HydrophobicContact CD1-CB 4.45Å; I396-F438 HydrophobicContact CD1-CD2 4.35Å; I396-F438 HydrophobicContact CD1-CG 4.35Å; I396-F438 HydrophobicContact CG2-CD1 4.36Å; I396-F438 HydrophobicContact CG2-CD2 4.04Å; I396-F438 HydrophobicContact CG2-CE1 4.02Å; I396-F438 HydrophobicContact CG2-CE2 3.67Å; I396-F438 HydrophobicContact CG2-CG 4.38Å; I396-F438 HydrophobicContact CG2-CZ 3.67Å
397A97.1Very high93.9Very high1 Ų126.5 Ų26.51%0.00815%0.15CC..EExtended strand (participates in β ladder)trans-148144.9176.100000111.5Y296 F298 Y299 V430Y296-A397 VanDerWaalsContact O-CA 3.3Å; Y296-A397 WeakPolarHBondContact O-CA 3.47Å; F298-A397 HydrophobicContact CB-CB 4.25Å; Y299-A397 HydrophobicContact CD2-CB 4.25Å; Y299-A397 HydrophobicContact CE2-CB 4.46Å; A397-V430 HydrophobicContact CB-CB 4.17Å; A397-V430 HydrophobicContact CB-CG2 4.24Å; A397-V430 PolarHBondContact N-O 2.96Å; A397-V430 PolarHBondContact O-N 3.3Å
398I98Very high93.4Very high0 Ų028.5 Ų28.50%015%0.154CC..EExtended strand (participates in β ladder)trans-123.4117.6166.6-61.7163000105.9G295 Y296 V335 F395 L427 L429 F467 W508G295-I398 WeakPolarHBondContact CA-O 3.44Å; Y296-I398 HydrophobicContact CD1-CD1 4.23Å; Y296-I398 PolarHBondContact N-O 2.99Å; Y296-I398 PolarHBondContact O-N 3.39Å; V335-I398 HydrophobicContact CG2-CD1 3.9Å; F395-I398 HydrophobicContact CB-CD1 4.17Å; F395-I398 HydrophobicContact CB-CG1 3.82Å; F395-I398 HydrophobicContact CD1-CG1 4.25Å; F395-I398 HydrophobicContact CD2-CD1 3.82Å; F395-I398 HydrophobicContact CD2-CG1 4.19Å; F395-I398 HydrophobicContact CE2-CD1 4.39Å; F395-I398 HydrophobicContact CG-CD1 4Å; F395-I398 HydrophobicContact CG-CG1 3.83Å; I398-L427 HydrophobicContact CG2-CD1 3.96Å; I398-L429 HydrophobicContact CB-CD2 4.39Å; I398-L429 HydrophobicContact CG1-CD2 4.16Å; I398-L429 HydrophobicContact CG2-CD2 3.79Å; I398-F467 HydrophobicContact CD1-CD2 3.42Å; I398-F467 VanDerWaalsContact CD1-CD2 3.42Å; I398-F467 HydrophobicContact CD1-CE2 3.36Å; I398-F467 HydrophobicContact CD1-CG 4.06Å; I398-F467 HydrophobicContact CD1-CZ 3.97Å; I398-W508 HydrophobicContact CB-CH2 4.23Å; I398-W508 HydrophobicContact CG2-CH2 3.87Å; I398-W508 HydrophobicContact CG2-CZ3 4.44Å
399N97.8Very high92.6Very high2 Ų233.1 Ų33.11%0.01117%0.171CC..EExtended strand (participates in β ladder)trans-120.3143.8-178.8-55-55.3000110.7L293 L294 G295 Y299 L427 I428L293-N399 HydrophobicContact CD1-CB 4.05Å; L294-N399 CarbonylContact O-C 3.56Å; L294-N399 WeakPolarHBondContact O-CA 3.34Å; G295-N399 WeakPolarHBondContact CA-OD1 3.32Å; Y299-N399 WeakPolarHBondContact CD2-OD1 3.38Å; Y299-N399 WeakPolarHBondContact CE2-ND2 3.48Å; N399-L427 CarbonylContact O-C 3.54Å; N399-L427 WeakPolarHBondContact O-CA 3.2Å; N399-I428 HydrophobicContact CB-CB 4.26Å; N399-I428 PolarHBondContact N-O 3.29Å; N399-I428 PolarHBondContact O-N 2.83Å
400S97.5Very high91.9Very high0 Ų030.1 Ų30.10%016%0.156CC..EExtended strand (participates in β ladder)trans-122.6115.6166.4156.10000107.6L293 L294 T425 D426 F465L293-S400 WeakPolarHBondContact CA-O 3.34Å; L294-S400 PolarHBondContact N-O 3.27Å; L294-S400 PolarHBondContact O-N 3.43Å; S400-T425 VanDerWaalsContact OG-CG2 3.29Å; S400-T425 WeakPolarHBondContact OG-CG2 3.17Å; S400-T425 PolarHBondContact OG-OG1 3.24Å; S400-D426 WeakPolarHBondContact CA-O 3.33Å; S400-F465 VanDerWaalsContact CB-CE1 3.46Å
401A96.4Very high90.8Very high0 Ų031.3 Ų31.30%017%0.165CC..EExtended strand (participates in β ladder)trans-112.3111.4-17900000110.4S292 M403 T425 D426S292-A401 WeakPolarHBondContact O-CA 3.34Å; A401-M403 VanDerWaalsContact C-N 3.27Å; A401-T425 PolarHBondContact N-OG1 2.78Å; A401-T425 PolarHBondContact O-OG1 3.32Å; A401-D426 PolarHBondContact N-O 3.16Å; A401-D426 PolarHBondContact O-N 3.27Å
402S95.1Very high90.2Very high3 Ų333.7 Ų33.72%0.02117%0.174CC..SBendtrans-89.54.2179.2-48.80000113C278 S292 H419 T425C278-S402 PolarHBondContact SG-OG 3.37Å; S292-S402 PolarHBondContact O-N 2.92Å; S402-H419 VanDerWaalsContact O-O 3.13Å; S402-T425 PolarHBondContact N-OG1 3.47Å; S402-T425 PolarHBondContact OG-OG1 3.43Å; S402-T425 VanDerWaalsContact OG-OG1 3.08Å
403M94.3Very high89.7Confident0 Ų028.2 Ų28.20%015%0.149CC..SBendtrans-159.3177.9177.662-163.7-72.100108.2I250 A253 T254 S292 A401 C405 A418 L420I250-M403 HydrophobicContact CB-CE 4.48Å; I250-M403 HydrophobicContact CG2-CE 4.48Å; A253-M403 HydrophobicContact CB-CE 3.28Å; T254-M403 HydrophobicContact CG2-CE 4.37Å; S292-M403 WeakPolarHBondContact CB-SD 3.44Å; A401-M403 VanDerWaalsContact C-N 3.27Å; M403-C405 PolarHBondContact O-N 3.41Å; M403-C405 PolarHBondContact O-SG 2.81Å; M403-C405 VanDerWaalsContact O-SG 3.4Å; M403-A418 WeakPolarHBondContact O-CB 3.3Å; M403-L420 HydrophobicContact CB-CD2 3.56Å; M403-L420 HydrophobicContact CE-CD2 4.4Å
404S91.9Very high89.5Confident19 Ų1928.6 Ų28.613%0.13315%0.149CC..  trans-58.5-26.6-178.863.90000114.3A253 A406 G413 L414 S415A253-S404 WeakPolarHBondContact CB-OG 3.27Å; S404-A406 PolarHBondContact O-N 3.28Å; S404-A406 WeakPolarHBondContact OG-CB 3.39Å; S404-A406 PolarHBondContact OG-N 3.4Å; S404-G413 CarbonylContact O-C 3.44Å; S404-G413 VanDerWaalsContact O-C 3.28Å; S404-G413 WeakPolarHBondContact O-CA 3.15Å; S404-L414 PolarHBondContact O-N 3.36Å; S404-S415 WeakPolarHBondContact CA-O 3.33Å; S404-S415 PolarHBondContact O-N 3.16Å; S404-S415 VanDerWaalsContact O-N 3.14Å
405C89.7Confident89.4Confident8 Ų824.5 Ų24.55%0.05413%0.131CC..  trans55.130.6-169.1-52.70000111.4S292 M403 G413 L414S292-C405 PolarHBondContact O-SG 3.43Å; S292-C405 VanDerWaalsContact O-SG 3.37Å; M403-C405 PolarHBondContact O-N 3.41Å; M403-C405 PolarHBondContact O-SG 2.81Å; M403-C405 VanDerWaalsContact O-SG 3.4Å; C405-G413 WeakPolarHBondContact O-CA 3.44Å; C405-L414 HydrophobicContact CB-CB 4.33Å
406A86.3Confident89.1Confident5 Ų525.8 Ų25.84%0.04114%0.139CC..  trans-70.1141.8177.900000111F252 A253 S404 S410 P411F252-A406 HydrophobicContact CD1-CB 4.07Å; F252-A406 VanDerWaalsContact CD1-O 3.3Å; F252-A406 WeakPolarHBondContact CD1-O 3.43Å; F252-A406 HydrophobicContact CE1-CB 4.12Å; A253-A406 HydrophobicContact CB-CB 4.47Å; S404-A406 PolarHBondContact O-N 3.28Å; S404-A406 WeakPolarHBondContact OG-CB 3.39Å; S404-A406 PolarHBondContact OG-N 3.4Å; A406-S410 WeakPolarHBondContact CA-O 3.43Å; A406-P411 WeakPolarHBondContact CB-O 3.5Å
407C80.6Confident88.8Confident27 Ų2726 Ų2618%0.18214%0.141CC..BIsolated β-bridgetrans-147.4170.6173690000109.8R409 S410 P411C407-R409 PolarHBondContact O-N 3.15Å; C407-S410 PolarHBondContact N-O 2.87Å; C407-S410 CarbonylContact O-C 3.58Å; C407-S410 PolarHBondContact O-N 3.28Å; C407-S410 PolarHBondContact SG-N 2.85Å; C407-P411 WeakPolarHBondContact O-CA 3.4Å
408P73.1Confident88.7Confident91 Ų9126.2 Ų26.259%0.59114%0.143SC*.THydrogen-bonded Turntrans-54.8-23.4179.1-29.336.8000115.1F252F252-P408 HydrophobicContact CD2-CG 4.43Å; F252-P408 HydrophobicContact CE2-CG 4.33Å
409R75.4Confident88.5Confident163 Ų16326.4 Ų26.462%0.61514%0.144SC*.THydrogen-bonded Turntrans-88.7-26177.3-62.9-17465.6172.72.4114.1D318 C407D318-R409 IonicContact OD1-CZ 3.46Å; D318-R409 IonicContact OD1-NH1 2.68Å; D318-R409 PolarHBondContact OD1-NH1 3.23Å; D318-R409 IonicContact OD1-NH2 3.07Å; D318-R409 PolarHBondContact OD1-NH2 3.14Å; D318-R409 IonicContact OD2-NH1 2.72Å; D318-R409 IonicContact OD2-NH2 2.83Å; C407-R409 PolarHBondContact O-N 3.15Å
410S80.8Confident88.4Confident13 Ų1326.5 Ų26.59%0.09114%0.144CC..BIsolated β-bridgetrans-133.183.7174.7-177.80000107.6A406 C407 K412 G413 H445A406-S410 WeakPolarHBondContact CA-O 3.43Å; C407-S410 PolarHBondContact N-O 2.87Å; C407-S410 CarbonylContact O-C 3.58Å; C407-S410 PolarHBondContact O-N 3.28Å; C407-S410 PolarHBondContact SG-N 2.85Å; S410-K412 PolarHBondContact O-N 2.81Å; S410-K412 VanDerWaalsContact O-N 3.17Å; S410-G413 WeakPolarHBondContact O-CA 3.44Å; S410-G413 PolarHBondContact O-N 3.06Å; S410-G413 WeakPolarHBondContact OG-CA 3.49Å; S410-G413 PolarHBondContact OG-N 2.77Å; S410-H445 WeakPolarHBondContact CB-O 3.48Å; S410-H445 PolarHBondContact OG-O 2.91Å
411P75.6Confident88.3Confident87 Ų8726.5 Ų26.557%0.56514%0.144SC*.THydrogen-bonded Turntrans-63.9-24.5-168.3-2635.6000114.4A406 C407A406-P411 WeakPolarHBondContact CB-O 3.5Å; C407-P411 WeakPolarHBondContact O-CA 3.4Å
412K83.3Confident88.1Confident72 Ų7226.6 Ų26.631%0.31315%0.145SC..THydrogen-bonded Turntrans-93.1-17.4172.9-63.9-169.2175.6-179.40113.1S410 P416 N448S410-K412 PolarHBondContact O-N 2.81Å; S410-K412 VanDerWaalsContact O-N 3.17Å; K412-P416 HydrophobicContact CB-CB 4.06Å; K412-P416 HydrophobicContact CB-CG 3.75Å; K412-P416 VanDerWaalsContact O-CA 3.28Å; K412-P416 WeakPolarHBondContact O-CA 3.37Å; K412-P416 WeakPolarHBondContact O-CB 3.4Å; K412-P416 WeakPolarHBondContact O-CG 3.46Å; K412-N448 WeakPolarHBondContact CE-OD1 3.31Å; K412-N448 PolarHBondContact NZ-O 3.28Å; K412-N448 VanDerWaalsContact NZ-O 3.15Å; K412-N448 PolarHBondContact NZ-OD1 3.11Å
413G87.5Confident88.1Confident0 Ų026.9 Ų26.90%015%0.148CC..  trans72.9-169.2-178.800000114.5S404 C405 S410 Q451S404-G413 CarbonylContact O-C 3.44Å; S404-G413 VanDerWaalsContact O-C 3.28Å; S404-G413 WeakPolarHBondContact O-CA 3.15Å; C405-G413 WeakPolarHBondContact O-CA 3.44Å; S410-G413 WeakPolarHBondContact O-CA 3.44Å; S410-G413 PolarHBondContact O-N 3.06Å; S410-G413 WeakPolarHBondContact OG-CA 3.49Å; S410-G413 PolarHBondContact OG-N 2.77Å; G413-Q451 PolarHBondContact O-OE1 2.86Å; G413-Q451 VanDerWaalsContact O-OE1 3.08Å
414L89.5Confident88.1Confident20 Ų2027.1 Ų27.111%0.10515%0.149CC..SBendtrans-82.4-19.2-178.3-88.374.8000113.4L293 Y299 S404 C405 I428 Q451L293-L414 HydrophobicContact CD1-CD2 3.83Å; L293-L414 HydrophobicContact CD2-CD2 3.94Å; Y299-L414 HydrophobicContact CE1-CD2 4.18Å; Y299-L414 HydrophobicContact CE2-CD2 4.14Å; S404-L414 PolarHBondContact O-N 3.36Å; C405-L414 HydrophobicContact CB-CB 4.33Å; L414-I428 WeakPolarHBondContact O-CD1 3.44Å; L414-Q451 VanDerWaalsContact C-NE2 3.29Å; L414-Q451 VanDerWaalsContact O-CD 3.31Å; L414-Q451 PolarHBondContact O-NE2 2.82Å; L414-Q451 PolarHBondContact O-OE1 3.39Å
415S93Very high88.3Confident0 Ų026.2 Ų26.20%014%0.143CC..  trans-144.182170.7-163.80000111.9S404 S417 A418 D426S404-S415 WeakPolarHBondContact CA-O 3.33Å; S404-S415 PolarHBondContact O-N 3.16Å; S404-S415 VanDerWaalsContact O-N 3.14Å; S415-S417 PolarHBondContact O-N 3.02Å; S415-A418 WeakPolarHBondContact O-CB 3.48Å; S415-A418 PolarHBondContact O-N 2.92Å; S415-D426 WeakPolarHBondContact CB-OD2 3.45Å; S415-D426 PolarHBondContact OG-OD2 2.83Å
416P90.9Very high88.7Confident28 Ų2826 Ų2618%0.18214%0.142CC..THydrogen-bonded Turntrans-57.6-20.1-168.8-24.831.3000116K412 Q451K412-P416 HydrophobicContact CB-CB 4.06Å; K412-P416 HydrophobicContact CB-CG 3.75Å; K412-P416 VanDerWaalsContact O-CA 3.28Å; K412-P416 WeakPolarHBondContact O-CA 3.37Å; K412-P416 WeakPolarHBondContact O-CB 3.4Å; K412-P416 WeakPolarHBondContact O-CG 3.46Å; P416-Q451 VanDerWaalsContact CD-CD 3.46Å
417S91.7Very high89.2Confident6 Ų625.8 Ų25.84%0.04214%0.14CC..THydrogen-bonded Turntrans-105.40.6-179.7-82.40000114K350 L351 S415 H419K350-S417 VanDerWaalsContact C-OG 3.32Å; K350-S417 VanDerWaalsContact CA-OG 3.22Å; K350-S417 WeakPolarHBondContact CA-OG 3.1Å; K350-S417 PolarHBondContact N-OG 2.61Å; L351-S417 PolarHBondContact N-OG 3.37Å; L351-S417 VanDerWaalsContact O-CA 3.27Å; L351-S417 WeakPolarHBondContact O-CA 3.16Å; L351-S417 WeakPolarHBondContact O-CB 3.46Å; L351-S417 PolarHBondContact O-OG 3.05Å; S415-S417 PolarHBondContact O-N 3.02Å; S417-H419 PolarHBondContact O-CD2 3.39Å; S417-H419 PolarHBondContact O-N 3.46Å
418A93.6Very high90Very high6 Ų624.8 Ų24.85%0.0513%0.132CC..  trans-59.7135.5174.900000110.8M403 S415 D426M403-A418 WeakPolarHBondContact O-CB 3.3Å; S415-A418 WeakPolarHBondContact O-CB 3.48Å; S415-A418 PolarHBondContact O-N 2.92Å; A418-D426 WeakPolarHBondContact CB-OD2 3.44Å
419H94.3Very high91.2Very high4 Ų420.4 Ų20.42%0.01910%0.104CC..  trans-96.8143.6-179.8-78.9-97.2000110.9C353 C357 I359 S402 S417 A421 D422C353-H419 HydrophobicContact CB-CB 4.5Å; C357-H419 PolarHBondContact SG-CE1 3.43Å; C357-H419 PolarHBondContact SG-ND1 3Å; I359-H419 VanDerWaalsContact CD1-CE1 3.44Å; I359-H419 WeakPolarHBondContact CD1-CE1 3.19Å; I359-H419 WeakPolarHBondContact CD1-NE2 3.33Å; S402-H419 VanDerWaalsContact O-O 3.13Å; S417-H419 PolarHBondContact O-CD2 3.39Å; S417-H419 PolarHBondContact O-N 3.46Å; H419-A421 VanDerWaalsContact C-N 3.31Å; H419-A421 PolarHBondContact O-N 2.9Å; H419-D422 HydrophobicContact CB-CB 3.97Å; H419-D422 WeakPolarHBondContact CB-OD2 3.43Å; H419-D422 IonicContact CG-OD2 2.77Å
420L95.3Very high92.2Very high5 Ų512.7 Ų12.73%0.0268%0.075CC..SBendtrans-73.5-22.2-175.1-65.7174.3000113.3T254 Q273 M275 D276 M403T254-L420 HydrophobicContact CG2-CD1 4.07Å; T254-L420 HydrophobicContact CG2-CD2 4.22Å; Q273-L420 HydrophobicContact CG-CD1 3.91Å; M275-L420 CarbonylContact C-O 3.6Å; M275-L420 WeakPolarHBondContact CA-O 3.34Å; M275-L420 HydrophobicContact CG-CB 4.46Å; M275-L420 HydrophobicContact SD-CD2 4.47Å; D276-L420 PolarHBondContact N-O 2.89Å; M403-L420 HydrophobicContact CB-CD2 3.56Å; M403-L420 HydrophobicContact CE-CD2 4.4Å
421A95.2Very high93Very high0 Ų014.8 Ų14.80%08%0.081CC..SBendtrans-154.436.4-158.900000113.5P274 D276 C360 H419 Q527P274-A421 HydrophobicContact CB-CB 3.93Å; P274-A421 HydrophobicContact CG-CB 3.78Å; P274-A421 WeakPolarHBondContact O-CB 3.47Å; D276-A421 VanDerWaalsContact CG-CA 3.46Å; D276-A421 VanDerWaalsContact OD1-CA 3.31Å; D276-A421 WeakPolarHBondContact OD1-CA 3.4Å; D276-A421 WeakPolarHBondContact OD2-CA 3.4Å; C360-A421 WeakPolarHBondContact CA-O 3.41Å; C360-A421 HydrophobicContact CB-CB 3.75Å; H419-A421 VanDerWaalsContact C-N 3.31Å; H419-A421 PolarHBondContact O-N 2.9Å; A421-Q527 HydrophobicContact CB-CG 3.88Å
422D93.6Very high94Very high2 Ų215.3 Ų15.31%0.0117%0.074CC..SBendtrans-106.23.8-177.971.9-4.5000113.8D276 I359 K363 H419 T424 R461D276-D422 PolarHBondContact OD2-N 2.75Å; I359-D422 HydrophobicContact CG2-CB 3.88Å; K363-D422 WeakPolarHBondContact CE-O 3.25Å; H419-D422 HydrophobicContact CB-CB 3.97Å; H419-D422 WeakPolarHBondContact CB-OD2 3.43Å; H419-D422 IonicContact CG-OD2 2.77Å; D422-T424 WeakPolarHBondContact OD1-CB 3.36Å; D422-T424 PolarHBondContact OD1-N 3.16Å; D422-T424 PolarHBondContact OD1-OG1 2.8Å; D422-T424 PolarHBondContact OD2-OG1 2.96Å; D422-T424 VanDerWaalsContact OD2-OG1 3.07Å; D422-R461 IonicContact OD2-CZ 3.45Å; D422-R461 IonicContact OD2-NE 3.5Å; D422-R461 PolarHBondContact OD2-NE 2.97Å; D422-R461 IonicContact OD2-NH2 3.94Å; D422-R461 PolarHBondContact OD2-NH2 2.77Å
423G94.1Very high94.6Very high9 Ų912.6 Ų12.69%0.0936%0.064CC..SBendtrans75.923.7-17800000113.3D276 C526D276-G423 PolarHBondContact OD1-N 2.98Å; D276-G423 WeakPolarHBondContact OD2-CA 3.47Å; D276-G423 PolarHBondContact OD2-N 2.76Å; G423-C526 VanDerWaalsContact CA-SG 3.51Å; G423-C526 PolarHBondContact N-SG 3.49Å; G423-C526 VanDerWaalsContact N-SG 3.43Å
424T95.1Very high95.1Very high4 Ų415.2 Ų15.23%0.0258%0.083CC..  trans-135.6165-177.273.70000113A340 D422 R461 V462 R463A340-T424 HydrophobicContact CB-CG2 3.71Å; D422-T424 WeakPolarHBondContact OD1-CB 3.36Å; D422-T424 PolarHBondContact OD1-N 3.16Å; D422-T424 PolarHBondContact OD1-OG1 2.8Å; D422-T424 PolarHBondContact OD2-OG1 2.96Å; D422-T424 VanDerWaalsContact OD2-OG1 3.07Å; T424-R461 HydrophobicContact CG2-CG 4.01Å; T424-R461 WeakPolarHBondContact OG1-CG 3.45Å; T424-R461 PolarHBondContact OG1-NE 3.12Å; T424-V462 WeakPolarHBondContact CA-O 3.4Å; T424-R463 HydrophobicContact CG2-CG 4.44Å
425T96.6Very high95.3Very high1 Ų120.8 Ų20.81%0.00610%0.102CC..EExtended strand (participates in β ladder)trans-136.7150.4170.6-168.80000109.3S400 A401 S402 L427 V462 F465 V524S400-T425 VanDerWaalsContact OG-CG2 3.29Å; S400-T425 WeakPolarHBondContact OG-CG2 3.17Å; S400-T425 PolarHBondContact OG-OG1 3.24Å; A401-T425 PolarHBondContact N-OG1 2.78Å; A401-T425 PolarHBondContact O-OG1 3.32Å; S402-T425 PolarHBondContact N-OG1 3.47Å; S402-T425 PolarHBondContact OG-OG1 3.43Å; S402-T425 VanDerWaalsContact OG-OG1 3.08Å; T425-L427 PolarHBondContact O-N 3.13Å; T425-V462 HydrophobicContact CG2-CG2 3.69Å; T425-V462 PolarHBondContact N-O 2.63Å; T425-V462 PolarHBondContact O-N 2.62Å; T425-F465 HydrophobicContact CG2-CE1 4.48Å; T425-V524 HydrophobicContact CG2-CG2 3.68Å
426D96.5Very high95.4Very high4 Ų425.5 Ų25.52%0.02113%0.127CC..EExtended strand (participates in β ladder)trans-91.4105.5-179.3-66.7-16.4000110.1P347 S400 A401 S415 A418 I428 V459P347-D426 HydrophobicContact CG-CB 4.09Å; P347-D426 WeakPolarHBondContact CG-OD1 3.25Å; P347-D426 VanDerWaalsContact CG-OD2 3.32Å; P347-D426 WeakPolarHBondContact CG-OD2 3.35Å; S400-D426 WeakPolarHBondContact CA-O 3.33Å; A401-D426 PolarHBondContact N-O 3.16Å; A401-D426 PolarHBondContact O-N 3.27Å; S415-D426 WeakPolarHBondContact CB-OD2 3.45Å; S415-D426 PolarHBondContact OG-OD2 2.83Å; A418-D426 WeakPolarHBondContact CB-OD2 3.44Å; D426-I428 PolarHBondContact O-N 2.8Å; D426-V459 HydrophobicContact CB-CG2 4.45Å
427L97.6Very high95.6Very high0 Ų025.9 Ų25.90%013%0.127CC..EExtended strand (participates in β ladder)trans-83.2107175.8-178.964.2000109.9V335 F337 I398 N399 T425 L429 V459 H460 V462 F465V335-L427 HydrophobicContact CG1-CD2 3.85Å; F337-L427 HydrophobicContact CB-CD2 3.84Å; F337-L427 HydrophobicContact CD1-CD2 3.89Å; F337-L427 HydrophobicContact CG-CD2 3.94Å; I398-L427 HydrophobicContact CG2-CD1 3.96Å; N399-L427 CarbonylContact O-C 3.54Å; N399-L427 WeakPolarHBondContact O-CA 3.2Å; T425-L427 PolarHBondContact O-N 3.13Å; L427-L429 HydrophobicContact CD1-CD2 3.98Å; L427-L429 HydrophobicContact CD2-CD2 4.44Å; L427-L429 HydrophobicContact CG-CD2 3.95Å; L427-L429 HydrophobicContact CG-CG 4.44Å; L427-V459 CarbonylContact O-C 3.5Å; L427-V459 WeakPolarHBondContact O-CA 3.22Å; L427-H460 HydrophobicContact CB-CB 4.49Å; L427-H460 PolarHBondContact N-O 3.47Å; L427-H460 PolarHBondContact O-N 3.41Å; L427-V462 HydrophobicContact CB-CG1 4.04Å; L427-V462 HydrophobicContact CB-CG2 3.88Å; L427-V462 HydrophobicContact CD2-CG1 4.2Å; L427-F465 HydrophobicContact CD1-CD1 4.36Å; L427-F465 HydrophobicContact CD1-CD2 4.06Å; L427-F465 HydrophobicContact CD1-CE1 4.5Å; L427-F465 HydrophobicContact CD1-CE2 4.22Å; L427-F465 HydrophobicContact CD1-CG 4.13Å; L427-F465 HydrophobicContact CD1-CZ 4.43Å; L427-F465 HydrophobicContact CD2-CB 4.01Å; L427-F465 HydrophobicContact CD2-CG 4.3Å
428I97.6Very high95.8Very high5 Ų525.7 Ų25.73%0.02613%0.126CC..EExtended strand (participates in β ladder)trans-106.5116.1-177.5-52.6161.8000108.8N399 L414 D426 V430 F452 V457 E458 V459N399-I428 HydrophobicContact CB-CB 4.26Å; N399-I428 PolarHBondContact N-O 3.29Å; N399-I428 PolarHBondContact O-N 2.83Å; L414-I428 WeakPolarHBondContact O-CD1 3.44Å; D426-I428 PolarHBondContact O-N 2.8Å; I428-V430 HydrophobicContact CG2-CG2 4.44Å; I428-F452 HydrophobicContact CD1-CE1 3.79Å; I428-F452 HydrophobicContact CD1-CZ 4.33Å; I428-F452 HydrophobicContact CG1-CE1 3.8Å; I428-F452 HydrophobicContact CG1-CZ 4.48Å; I428-F452 HydrophobicContact CG2-CD1 4.41Å; I428-F452 HydrophobicContact CG2-CE1 4.2Å; I428-V457 HydrophobicContact CG2-CG1 4.04Å; I428-E458 CarbonylContact C-O 3.54Å; I428-E458 WeakPolarHBondContact CA-O 3.05Å; I428-V459 HydrophobicContact CG1-CB 4.48Å; I428-V459 HydrophobicContact CG1-CG2 3.91Å
429L97.9Very high95.8Very high0 Ų030.5 Ų30.50%015%0.146CC..EExtended strand (participates in β ladder)trans-105.9115.8-179.8-51.8-177.3000109.7V335 I391 F395 I398 L427 V457 E458V335-L429 HydrophobicContact CG1-CD2 4.29Å; V335-L429 HydrophobicContact CG2-CD2 4.16Å; I391-L429 HydrophobicContact CB-CD1 4.48Å; I391-L429 HydrophobicContact CD1-CD1 3.66Å; I391-L429 HydrophobicContact CG2-CD1 4.31Å; F395-L429 HydrophobicContact CD1-CB 4.21Å; F395-L429 HydrophobicContact CE1-CB 4.02Å; F395-L429 HydrophobicContact CE1-CD1 4.19Å; F395-L429 HydrophobicContact CE1-CG 4.49Å; I398-L429 HydrophobicContact CB-CD2 4.39Å; I398-L429 HydrophobicContact CG1-CD2 4.16Å; I398-L429 HydrophobicContact CG2-CD2 3.79Å; L427-L429 HydrophobicContact CD1-CD2 3.98Å; L427-L429 HydrophobicContact CD2-CD2 4.44Å; L427-L429 HydrophobicContact CG-CD2 3.95Å; L427-L429 HydrophobicContact CG-CG 4.44Å; L429-V457 WeakPolarHBondContact O-CA 3.48Å; L429-E458 HydrophobicContact CB-CB 4.3Å; L429-E458 PolarHBondContact N-O 2.97Å; L429-E458 PolarHBondContact O-N 3.48Å
430V97.8Very high95.7Very high0 Ų036.6 Ų36.60%017%0.169CC..EExtended strand (participates in β ladder)trans-103.5100.9175.5-173.20000108.4F395 I396 A397 I428 F438 F456 V457F395-V430 CarbonylContact C-O 3.5Å; F395-V430 VanDerWaalsContact CA-O 3.31Å; F395-V430 WeakPolarHBondContact CA-O 3.47Å; I396-V430 HydrophobicContact CB-CG1 4.37Å; I396-V430 PolarHBondContact N-O 2.89Å; A397-V430 HydrophobicContact CB-CB 4.17Å; A397-V430 HydrophobicContact CB-CG2 4.24Å; A397-V430 PolarHBondContact N-O 2.96Å; A397-V430 PolarHBondContact O-N 3.3Å; I428-V430 HydrophobicContact CG2-CG2 4.44Å; V430-F438 HydrophobicContact CG1-CD2 4.1Å; V430-F438 HydrophobicContact CG1-CE2 4.12Å; V430-F456 HydrophobicContact CG1-CD2 4.04Å; V430-F456 HydrophobicContact CG1-CE2 4.26Å; V430-V457 HydrophobicContact CG1-CG2 4.47Å; V430-V457 HydrophobicContact CG2-CG2 4.46Å
431R97.3Very high95.5Very high58 Ų5836.6 Ų36.622%0.21917%0.168CC..EExtended strand (participates in β ladder)trans-69.3161.1179.7-65.5-168.4-176-91.7-2.5112H392 K394 F395 C433 F456 E458H392-R431 PolarHBondContact O-NH1 2.79Å; K394-R431 CarbonylContact O-C 3.48Å; K394-R431 WeakPolarHBondContact O-CA 3.32Å; F395-R431 HydrophobicContact CD1-CG 4.35Å; F395-R431 HydrophobicContact CE1-CG 4.31Å; R431-C433 PolarHBondContact O-N 3.27Å; R431-C433 VanDerWaalsContact O-N 3.07Å; R431-F456 HydrophobicContact CB-CB 4.29Å; R431-F456 PolarHBondContact N-O 3.17Å; R431-E458 IonicContact CZ-OE1 2.7Å; R431-E458 IonicContact NE-OE1 2.97Å; R431-E458 PolarHBondContact NE-OE1 2.9Å; R431-E458 IonicContact NH2-OE1 3.44Å; R431-E458 PolarHBondContact NH2-OE1 3.19Å; R431-E458 IonicContact NH2-OE2 2.76Å; R431-E458 PolarHBondContact NH2-OE2 2.87Å
432K96.4Very high95.3Very high97 Ų9738.4 Ų38.442%0.42218%0.178SC..SBendtrans-50.3115.2170.4-178.7-177.3174.81760110.6Y330 K394Y330-K432 HydrophobicContact CD1-CD 4Å; Y330-K432 HydrophobicContact CD1-CG 4.04Å; Y330-K432 HydrophobicContact CD2-CD 4.02Å; Y330-K432 HydrophobicContact CE1-CD 3.94Å; Y330-K432 HydrophobicContact CE1-CG 4.41Å; Y330-K432 HydrophobicContact CE2-CD 3.95Å; Y330-K432 HydrophobicContact CG-CB 4.46Å; Y330-K432 HydrophobicContact CG-CD 4.04Å; Y330-K432 HydrophobicContact CG-CG 4.1Å; Y330-K432 VanDerWaalsContact CZ-NZ 3.32Å; Y330-K432 PolarHBondContact OH-NZ 3.22Å; K394-K432 HydrophobicContact CB-CB 4.13Å; K394-K432 PolarHBondContact O-N 2.92Å
433C96Very high95Very high15 Ų1542.4 Ų42.410%0.10120%0.199CC..  trans-136.8178.9176.468.10000111.2H328 R431 D437 F456H328-C433 PolarHBondContact NE2-O 2.88Å; R431-C433 PolarHBondContact O-N 3.27Å; R431-C433 VanDerWaalsContact O-N 3.07Å; C433-D437 HydrophobicContact CB-CB 4.33Å; C433-F456 HydrophobicContact CB-CB 3.93Å; C433-F456 HydrophobicContact CB-CD1 3.85Å; C433-F456 HydrophobicContact CB-CD2 3.85Å; C433-F456 HydrophobicContact CB-CE1 4.37Å; C433-F456 HydrophobicContact CB-CE2 4.36Å; C433-F456 HydrophobicContact CB-CG 3.59Å; C433-F456 VanDerWaalsContact SG-CD2 3.54Å
434S96.4Very high94.7Very high56 Ų5644.1 Ų44.139%0.39220%0.203SC..  trans-69.7154177.380.50000111.4L436 D437 F438S434-L436 PolarHBondContact O-N 2.83Å; S434-D437 PolarHBondContact O-N 3.5Å; S434-D437 WeakPolarHBondContact OG-CB 3.43Å; S434-D437 PolarHBondContact OG-N 3.27Å; S434-D437 VanDerWaalsContact OG-N 3.12Å; S434-D437 PolarHBondContact OG-OD2 3.18Å; S434-F438 PolarHBondContact O-N 2.97Å
435R94.9Very high94.1Very high136 Ų13644.9 Ų44.951%0.51321%0.206SC..Hα-helixtrans-53.5-38.8174.3-76.2179.4176.7113.60.4112.6F325 L326 H328 F439F325-R435 HydrophobicContact CZ-CB 4.42Å; L326-R435 PolarHBondContact O-NE 3.27Å; L326-R435 PolarHBondContact O-NH2 2.91Å; H328-R435 HydrophobicContact CB-CG 3.83Å; H328-R435 VanDerWaalsContact CG-CG 3.41Å; H328-R435 WeakPolarHBondContact ND1-CG 3.46Å; R435-F439 WeakPolarHBondContact O-CB 3.12Å; R435-F439 PolarHBondContact O-N 3.3Å
436L94.9Very high93.3Very high100 Ų10049.1 Ų49.152%0.52423%0.232SC..Hα-helixtrans-70.8-40.2-177.9-161.7154.2000111S434 F439 R440S434-L436 PolarHBondContact O-N 2.83Å; L436-F439 PolarHBondContact O-N 3.32Å; L436-R440 HydrophobicContact CD2-CG 4.31Å; L436-R440 VanDerWaalsContact CD2-NH2 3.32Å; L436-R440 WeakPolarHBondContact O-CG 3.25Å; L436-R440 PolarHBondContact O-N 3.36Å
437D95.4Very high92.5Very high35 Ų3551.3 Ų51.319%0.18724%0.244CC..Hα-helixtrans-67.3-41.4175-66.4-39.4000112C433 S434 F439 R440 H441 F456C433-D437 HydrophobicContact CB-CB 4.33Å; S434-D437 PolarHBondContact O-N 3.5Å; S434-D437 WeakPolarHBondContact OG-CB 3.43Å; S434-D437 PolarHBondContact OG-N 3.27Å; S434-D437 VanDerWaalsContact OG-N 3.12Å; S434-D437 PolarHBondContact OG-OD2 3.18Å; D437-F439 VanDerWaalsContact C-N 3.34Å; D437-F439 PolarHBondContact O-N 2.92Å; D437-R440 WeakPolarHBondContact O-CB 3.4Å; D437-R440 PolarHBondContact O-N 3.07Å; D437-R440 IonicContact OD1-NH1 2.8Å; D437-R440 PolarHBondContact OD1-NH1 3.3Å; D437-H441 PolarHBondContact O-N 3.02Å; D437-F456 HydrophobicContact CB-CD1 4.39Å; D437-F456 HydrophobicContact CB-CE1 3.6Å; D437-F456 HydrophobicContact CB-CZ 3.88Å; D437-F456 WeakPolarHBondContact O-CZ 3.48Å
438F95.1Very high91.3Very high2 Ų257.3 Ų57.31%0.00928%0.276CS..Hα-helixtrans-64.2-39.4174.5-173.2-121.6000112.2F298 F325 I396 V430 S434 R440 H441 L442F298-F438 HydrophobicContact CB-CZ 4.04Å; F298-F438 HydrophobicContact CD1-CE1 4.37Å; F298-F438 AromaticContact CD1-CZ 3.89Å; F298-F438 HydrophobicContact CD1-CZ 3.89Å; F298-F438 AromaticContact CD2-CE1 3.54Å; F298-F438 HydrophobicContact CD2-CE1 3.54Å; F298-F438 AromaticContact CD2-CZ 3.75Å; F298-F438 HydrophobicContact CD2-CZ 3.75Å; F298-F438 HydrophobicContact CE1-CE1 4.48Å; F298-F438 HydrophobicContact CE1-CZ 4.27Å; F298-F438 AromaticContact CE2-CE1 3.68Å; F298-F438 HydrophobicContact CE2-CE1 3.68Å; F298-F438 HydrophobicContact CE2-CZ 4.16Å; F298-F438 AromaticContact CG-CE1 3.92Å; F298-F438 HydrophobicContact CG-CE1 3.92Å; F298-F438 AromaticContact CG-CZ 3.6Å; F298-F438 HydrophobicContact CG-CZ 3.6Å; F298-F438 HydrophobicContact CZ-CE1 4.15Å; F298-F438 HydrophobicContact CZ-CZ 4.41Å; F325-F438 AromaticContact CD2-CD1 3.83Å; F325-F438 HydrophobicContact CD2-CD1 3.83Å; F325-F438 HydrophobicContact CD2-CE1 4.17Å; F325-F438 AromaticContact CE2-CD1 3.99Å; F325-F438 HydrophobicContact CE2-CD1 3.99Å; I396-F438 HydrophobicContact CD1-CB 4.45Å; I396-F438 HydrophobicContact CD1-CD2 4.35Å; I396-F438 HydrophobicContact CD1-CG 4.35Å; I396-F438 HydrophobicContact CG2-CD1 4.36Å; I396-F438 HydrophobicContact CG2-CD2 4.04Å; I396-F438 HydrophobicContact CG2-CE1 4.02Å; I396-F438 HydrophobicContact CG2-CE2 3.67Å; I396-F438 HydrophobicContact CG2-CG 4.38Å; I396-F438 HydrophobicContact CG2-CZ 3.67Å; V430-F438 HydrophobicContact CG1-CD2 4.1Å; V430-F438 HydrophobicContact CG1-CE2 4.12Å; S434-F438 PolarHBondContact O-N 2.97Å; F438-R440 VanDerWaalsContact C-N 3.35Å; F438-R440 PolarHBondContact O-N 3.43Å; F438-H441 WeakPolarHBondContact O-CB 3.44Å; F438-H441 PolarHBondContact O-N 3.24Å; F438-L442 HydrophobicContact CD1-CD1 4.15Å; F438-L442 HydrophobicContact CE1-CD1 3.75Å; F438-L442 HydrophobicContact CE1-CD2 4.45Å; F438-L442 HydrophobicContact CE1-CG 4.16Å; F438-L442 HydrophobicContact CE2-CD2 4.39Å; F438-L442 HydrophobicContact CE2-CG 4.44Å; F438-L442 HydrophobicContact CZ-CD1 4.15Å; F438-L442 HydrophobicContact CZ-CD2 4Å; F438-L442 HydrophobicContact CZ-CG 4.11Å; F438-L442 WeakPolarHBondContact O-CG 3.45Å; F438-L442 PolarHBondContact O-N 3.48Å
439F93.3Very high90.5Very high108 Ų10861.6 Ų61.647%0.47430%0.299SS..Hα-helixtrans-60.4-43.2172.6179.1-105000112.3F325 R435 L436 D437 H441 L442 L443F325-F439 HydrophobicContact CE2-CB 3.76Å; F325-F439 HydrophobicContact CE2-CD2 4.37Å; F325-F439 HydrophobicContact CZ-CB 3.72Å; F325-F439 HydrophobicContact CZ-CD2 4.19Å; F325-F439 HydrophobicContact CZ-CG 4.33Å; R435-F439 WeakPolarHBondContact O-CB 3.12Å; R435-F439 PolarHBondContact O-N 3.3Å; L436-F439 PolarHBondContact O-N 3.32Å; D437-F439 VanDerWaalsContact C-N 3.34Å; D437-F439 PolarHBondContact O-N 2.92Å; F439-H441 VanDerWaalsContact C-N 3.28Å; F439-H441 PolarHBondContact O-N 2.66Å; F439-L442 PolarHBondContact O-N 3.42Å; F439-L443 WeakPolarHBondContact O-CB 3.23Å; F439-L443 PolarHBondContact O-N 2.74Å
440R92.4Very high89.8Confident132 Ų13264.4 Ų64.450%0.49831%0.313SS..Hα-helixtrans-59.2-41.7174.4-72.8169.9176155.2-4.1111.2L436 D437 F438 L443 R444L436-R440 HydrophobicContact CD2-CG 4.31Å; L436-R440 VanDerWaalsContact CD2-NH2 3.32Å; L436-R440 WeakPolarHBondContact O-CG 3.25Å; L436-R440 PolarHBondContact O-N 3.36Å; D437-R440 WeakPolarHBondContact O-CB 3.4Å; D437-R440 PolarHBondContact O-N 3.07Å; D437-R440 IonicContact OD1-NH1 2.8Å; D437-R440 PolarHBondContact OD1-NH1 3.3Å; F438-R440 VanDerWaalsContact C-N 3.35Å; F438-R440 PolarHBondContact O-N 3.43Å; R440-L443 PolarHBondContact O-N 2.97Å; R440-R444 PolarHBondContact O-N 3.38Å
441H92.1Very high89.1Confident4 Ų464.7 Ų64.72%0.01932%0.315CS..Hα-helixtrans-61.7-48.8175173.264.4000111.8D437 F438 F439 L443 R444 H445 Q451 H454 F456D437-H441 PolarHBondContact O-N 3.02Å; F438-H441 WeakPolarHBondContact O-CB 3.44Å; F438-H441 PolarHBondContact O-N 3.24Å; F439-H441 VanDerWaalsContact C-N 3.28Å; F439-H441 PolarHBondContact O-N 2.66Å; H441-L443 VanDerWaalsContact C-N 3.27Å; H441-L443 PolarHBondContact O-N 2.84Å; H441-R444 WeakPolarHBondContact O-CB 3.16Å; H441-R444 PolarHBondContact O-N 2.73Å; H441-H445 AromaticContact CE1-NE2 3.83Å; H441-H445 AromaticContact NE2-NE2 3.68Å; H441-Q451 PolarHBondContact ND1-O 3.47Å; H441-H454 AromaticContact ND1-CD2 3.88Å; H441-F456 HydrophobicContact CB-CE2 4.03Å; H441-F456 HydrophobicContact CB-CZ 4.09Å
442L90.4Very high88.6Confident39 Ų3962.1 Ų62.120%0.20431%0.305CS..Hα-helixtrans-59.1-38176.4-68.5178.1000112.7F298 F325 F438 F439 R444 H445F298-L442 HydrophobicContact CE1-CD1 4.37Å; F298-L442 HydrophobicContact CE1-CD2 4.08Å; F298-L442 HydrophobicContact CZ-CD1 4.01Å; F325-L442 HydrophobicContact CD2-CD1 4Å; F438-L442 HydrophobicContact CD1-CD1 4.15Å; F438-L442 HydrophobicContact CE1-CD1 3.75Å; F438-L442 HydrophobicContact CE1-CD2 4.45Å; F438-L442 HydrophobicContact CE1-CG 4.16Å; F438-L442 HydrophobicContact CE2-CD2 4.39Å; F438-L442 HydrophobicContact CE2-CG 4.44Å; F438-L442 HydrophobicContact CZ-CD1 4.15Å; F438-L442 HydrophobicContact CZ-CD2 4Å; F438-L442 HydrophobicContact CZ-CG 4.11Å; F438-L442 WeakPolarHBondContact O-CG 3.45Å; F438-L442 PolarHBondContact O-N 3.48Å; F439-L442 PolarHBondContact O-N 3.42Å; L442-R444 VanDerWaalsContact C-N 3.26Å; L442-R444 PolarHBondContact O-N 2.85Å; L442-H445 PolarHBondContact O-N 2.9Å
443L87.2Confident88.4Confident85 Ų8562.1 Ų62.145%0.44531%0.31SS..Hα-helixtrans-64.5-31.1178.3-169.966000111.9F439 R440 H441 H445 T446F439-L443 WeakPolarHBondContact O-CB 3.23Å; F439-L443 PolarHBondContact O-N 2.74Å; R440-L443 PolarHBondContact O-N 2.97Å; H441-L443 VanDerWaalsContact C-N 3.27Å; H441-L443 PolarHBondContact O-N 2.84Å; L443-H445 VanDerWaalsContact C-N 3.26Å; L443-H445 PolarHBondContact O-N 2.91Å; L443-T446 PolarHBondContact O-N 3.04Å; L443-T446 PolarHBondContact O-OG1 2.95Å
444R87.3Confident88.2Confident46 Ų4662.9 Ų62.917%0.17431%0.312CS..Hα-helixtrans-64.6-27.8178.1-72.4-170.5175.4168.64.2113.5R440 H441 L442 T446 N447 D449 D450 Q451 D453 H454R440-R444 PolarHBondContact O-N 3.38Å; H441-R444 WeakPolarHBondContact O-CB 3.16Å; H441-R444 PolarHBondContact O-N 2.73Å; L442-R444 VanDerWaalsContact C-N 3.26Å; L442-R444 PolarHBondContact O-N 2.85Å; R444-T446 PolarHBondContact O-N 3.06Å; R444-T446 VanDerWaalsContact O-N 3.1Å; R444-N447 WeakPolarHBondContact CA-OD1 3.2Å; R444-N447 PolarHBondContact O-N 3.29Å; R444-N447 VanDerWaalsContact O-N 3.15Å; R444-N447 PolarHBondContact O-OD1 2.77Å; R444-N447 VanDerWaalsContact O-OD1 3.05Å; R444-D449 HydrophobicContact CG-CB 4.17Å; R444-D450 VanDerWaalsContact CD-O 3.31Å; R444-D450 WeakPolarHBondContact CD-O 3.37Å; R444-D450 PolarHBondContact NH1-O 3.44Å; R444-Q451 HydrophobicContact CB-CB 4.38Å; R444-D453 PolarHBondContact NH1-O 3.09Å; R444-D453 PolarHBondContact NH2-O 3.07Å; R444-D453 VanDerWaalsContact NH2-O 3.15Å; R444-D453 IonicContact NH2-OD2 2.91Å; R444-H454 WeakPolarHBondContact CD-NE2 3.13Å; R444-H454 VanDerWaalsContact CZ-CE1 3.43Å; R444-H454 VanDerWaalsContact CZ-NE2 3.25Å; R444-H454 PolarHBondContact NE-NE2 2.88Å; R444-H454 PolarHBondContact NH1-CD2 3.22Å; R444-H454 VanDerWaalsContact NH1-CD2 3.27Å; R444-H454 PolarHBondContact NH1-NE2 3.36Å
445H82.2Confident88.1Confident20 Ų2069.4 Ų69.49%0.09333%0.328CS..THydrogen-bonded Turntrans-66.1-12.2173.4-61.3-54.6000113.7S410 H441 L442 L443 Q451S410-H445 WeakPolarHBondContact CB-O 3.48Å; S410-H445 PolarHBondContact OG-O 2.91Å; H441-H445 AromaticContact CE1-NE2 3.83Å; H441-H445 AromaticContact NE2-NE2 3.68Å; L442-H445 PolarHBondContact O-N 2.9Å; L443-H445 VanDerWaalsContact C-N 3.26Å; L443-H445 PolarHBondContact O-N 2.91Å; H445-Q451 PolarHBondContact ND1-OE1 2.88Å
446T79.8Confident88.1Confident89 Ų8963 Ų6355%0.54630%0.304SS..THydrogen-bonded Turntrans-103.3-6.6178.271.10000113.3L443 R444L443-T446 PolarHBondContact O-N 3.04Å; L443-T446 PolarHBondContact O-OG1 2.95Å; R444-T446 PolarHBondContact O-N 3.06Å; R444-T446 VanDerWaalsContact O-N 3.1Å
447N80.2Confident88.2Confident51 Ų5158.5 Ų58.527%0.27328%0.281SS..SBendtrans-123.2-166.7-175.778.814.8000111.5R444 D449R444-N447 WeakPolarHBondContact CA-OD1 3.2Å; R444-N447 PolarHBondContact O-N 3.29Å; R444-N447 VanDerWaalsContact O-N 3.15Å; R444-N447 PolarHBondContact O-OD1 2.77Å; R444-N447 VanDerWaalsContact O-OD1 3.05Å; N447-D449 PolarHBondContact ND2-OD2 3.18Å; N447-D449 WeakPolarHBondContact OD1-CB 3.48Å; N447-D449 PolarHBondContact OD1-N 2.99Å; N447-D449 PolarHBondContact OD1-OD2 2.8Å
448N73.6Confident88.2Confident126 Ų12659.5 Ų59.567%0.67428%0.284SS*.SBendtrans-99.3-1.2-175.9-78.2-40.9000114.6K412K412-N448 WeakPolarHBondContact CE-OD1 3.31Å; K412-N448 PolarHBondContact NZ-O 3.28Å; K412-N448 VanDerWaalsContact NZ-O 3.15Å; K412-N448 PolarHBondContact NZ-OD1 3.11Å
449D79.4Confident88.2Confident95 Ų9560 Ų6051%0.50829%0.287SS..SBendtrans-72162.3-174.2-59.1-26.8000111.4R444 N447 Q451R444-D449 HydrophobicContact CG-CB 4.17Å; N447-D449 PolarHBondContact ND2-OD2 3.18Å; N447-D449 WeakPolarHBondContact OD1-CB 3.48Å; N447-D449 PolarHBondContact OD1-N 2.99Å; N447-D449 PolarHBondContact OD1-OD2 2.8Å; D449-Q451 PolarHBondContact O-N 3.03Å; D449-Q451 VanDerWaalsContact O-N 3.08Å
450D83Confident88.2Confident58 Ų5857.2 Ų57.231%0.3128%0.276SS..  trans-68.6106.5171.7-175.4-9000109.6R444 F452 D453R444-D450 VanDerWaalsContact CD-O 3.31Å; R444-D450 WeakPolarHBondContact CD-O 3.37Å; R444-D450 PolarHBondContact NH1-O 3.44Å; D450-F452 PolarHBondContact O-N 2.8Å; D450-F452 VanDerWaalsContact O-N 3.14Å; D450-F452 WeakPolarHBondContact OD1-CB 3.29Å; D450-F452 PolarHBondContact OD1-N 2.99Å; D450-D453 HydrophobicContact CB-CB 3.91Å; D450-D453 PolarHBondContact O-N 2.81Å; D450-D453 VanDerWaalsContact O-N 3.14Å
451Q82.9Confident88.3Confident7 Ų751.7 Ų51.73%0.03326%0.255CS..THydrogen-bonded Turntrans-59.8-20.3178.861.7-177.416.500114.2G413 L414 P416 H441 R444 H445 D449G413-Q451 PolarHBondContact O-OE1 2.86Å; G413-Q451 VanDerWaalsContact O-OE1 3.08Å; L414-Q451 VanDerWaalsContact C-NE2 3.29Å; L414-Q451 VanDerWaalsContact O-CD 3.31Å; L414-Q451 PolarHBondContact O-NE2 2.82Å; L414-Q451 PolarHBondContact O-OE1 3.39Å; P416-Q451 VanDerWaalsContact CD-CD 3.46Å; H441-Q451 PolarHBondContact ND1-O 3.47Å; R444-Q451 HydrophobicContact CB-CB 4.38Å; H445-Q451 PolarHBondContact ND1-OE1 2.88Å; D449-Q451 PolarHBondContact O-N 3.03Å; D449-Q451 VanDerWaalsContact O-N 3.08Å
452F88.6Confident88.5Confident4 Ų451.5 Ų51.52%0.01825%0.254CS..THydrogen-bonded Turntrans-93.9-8.3-179.9-50.5-58000113.3P347 R348 I428 D450 H454 V457 V459P347-F452 HydrophobicContact CB-CE2 3.82Å; P347-F452 HydrophobicContact CB-CZ 4.08Å; R348-F452 HydrophobicContact CG-CD2 4.16Å; R348-F452 PolarHBondContact NH2-O 3.08Å; I428-F452 HydrophobicContact CD1-CE1 3.79Å; I428-F452 HydrophobicContact CD1-CZ 4.33Å; I428-F452 HydrophobicContact CG1-CE1 3.8Å; I428-F452 HydrophobicContact CG1-CZ 4.48Å; I428-F452 HydrophobicContact CG2-CD1 4.41Å; I428-F452 HydrophobicContact CG2-CE1 4.2Å; D450-F452 PolarHBondContact O-N 2.8Å; D450-F452 VanDerWaalsContact O-N 3.14Å; D450-F452 WeakPolarHBondContact OD1-CB 3.29Å; D450-F452 PolarHBondContact OD1-N 2.99Å; F452-H454 PolarHBondContact O-N 2.65Å; F452-V457 HydrophobicContact CD1-CG1 4.16Å; F452-V459 HydrophobicContact CB-CG1 4.18Å; F452-V459 HydrophobicContact CD1-CB 3.91Å; F452-V459 HydrophobicContact CD1-CG1 4.01Å; F452-V459 HydrophobicContact CD1-CG2 4.33Å; F452-V459 HydrophobicContact CD2-CG1 4.01Å; F452-V459 HydrophobicContact CE1-CB 3.97Å; F452-V459 HydrophobicContact CE1-CG1 4.33Å; F452-V459 HydrophobicContact CE1-CG2 3.88Å; F452-V459 HydrophobicContact CE2-CG1 4.31Å; F452-V459 HydrophobicContact CE2-CG2 4.44Å; F452-V459 HydrophobicContact CG-CB 4.25Å; F452-V459 HydrophobicContact CG-CG1 3.81Å; F452-V459 HydrophobicContact CZ-CB 4.32Å; F452-V459 HydrophobicContact CZ-CG1 4.43Å; F452-V459 HydrophobicContact CZ-CG2 3.89Å
453D90.4Very high88.7Confident97 Ų9752.7 Ų52.752%0.51926%0.256SS..  trans-77.759.2-175.2-17941.6000112.6R444 D450R444-D453 PolarHBondContact NH1-O 3.09Å; R444-D453 PolarHBondContact NH2-O 3.07Å; R444-D453 VanDerWaalsContact NH2-O 3.15Å; R444-D453 IonicContact NH2-OD2 2.91Å; D450-D453 HydrophobicContact CB-CB 3.91Å; D450-D453 PolarHBondContact O-N 2.81Å; D450-D453 VanDerWaalsContact O-N 3.14Å
454H92.1Very high89.1Confident30 Ų3051.3 Ų51.314%0.13925%0.246CC..SBendtrans-138.3138.1178-75.3-62.7000109H441 R444 F452 F456 V457H441-H454 AromaticContact ND1-CD2 3.88Å; R444-H454 WeakPolarHBondContact CD-NE2 3.13Å; R444-H454 VanDerWaalsContact CZ-CE1 3.43Å; R444-H454 VanDerWaalsContact CZ-NE2 3.25Å; R444-H454 PolarHBondContact NE-NE2 2.88Å; R444-H454 PolarHBondContact NH1-CD2 3.22Å; R444-H454 VanDerWaalsContact NH1-CD2 3.27Å; R444-H454 PolarHBondContact NH1-NE2 3.36Å; F452-H454 PolarHBondContact O-N 2.65Å; H454-F456 HydrophobicContact CB-CD1 4.04Å; H454-F456 HydrophobicContact CB-CD2 4.49Å; H454-F456 HydrophobicContact CB-CE1 3.63Å; H454-F456 HydrophobicContact CB-CE2 4.13Å; H454-F456 HydrophobicContact CB-CG 4.44Å; H454-F456 HydrophobicContact CB-CZ 3.68Å; H454-F456 AromaticContact CG-CE1 3.8Å; H454-F456 AromaticContact CG-CZ 3.6Å; H454-F456 AromaticContact ND1-CE1 3.77Å; H454-F456 AromaticContact ND1-CZ 3.81Å; H454-F456 PolarHBondContact O-N 2.7Å; H454-F456 VanDerWaalsContact O-N 3.07Å; H454-V457 HydrophobicContact CB-CB 4.11Å; H454-V457 HydrophobicContact CB-CG2 3.74Å; H454-V457 PolarHBondContact O-N 2.94Å
455W94.9Very high89.6Confident194 Ų19449.1 Ų49.174%0.73524%0.238SC*.THydrogen-bonded Turntrans-61.4-21.1-178.571.1-95.4000114
456F95.7Very high90.4Very high1 Ų151.7 Ų51.70%0.00425%0.247CC..THydrogen-bonded Turntrans-99.85.2-179.959.2-91.6000113.2V430 R431 C433 D437 H441 H454V430-F456 HydrophobicContact CG1-CD2 4.04Å; V430-F456 HydrophobicContact CG1-CE2 4.26Å; R431-F456 HydrophobicContact CB-CB 4.29Å; R431-F456 PolarHBondContact N-O 3.17Å; C433-F456 HydrophobicContact CB-CB 3.93Å; C433-F456 HydrophobicContact CB-CD1 3.85Å; C433-F456 HydrophobicContact CB-CD2 3.85Å; C433-F456 HydrophobicContact CB-CE1 4.37Å; C433-F456 HydrophobicContact CB-CE2 4.36Å; C433-F456 HydrophobicContact CB-CG 3.59Å; C433-F456 VanDerWaalsContact SG-CD2 3.54Å; D437-F456 HydrophobicContact CB-CD1 4.39Å; D437-F456 HydrophobicContact CB-CE1 3.6Å; D437-F456 HydrophobicContact CB-CZ 3.88Å; D437-F456 WeakPolarHBondContact O-CZ 3.48Å; H441-F456 HydrophobicContact CB-CE2 4.03Å; H441-F456 HydrophobicContact CB-CZ 4.09Å; H454-F456 HydrophobicContact CB-CD1 4.04Å; H454-F456 HydrophobicContact CB-CD2 4.49Å; H454-F456 HydrophobicContact CB-CE1 3.63Å; H454-F456 HydrophobicContact CB-CE2 4.13Å; H454-F456 HydrophobicContact CB-CG 4.44Å; H454-F456 HydrophobicContact CB-CZ 3.68Å; H454-F456 AromaticContact CG-CE1 3.8Å; H454-F456 AromaticContact CG-CZ 3.6Å; H454-F456 AromaticContact ND1-CE1 3.77Å; H454-F456 AromaticContact ND1-CZ 3.81Å; H454-F456 PolarHBondContact O-N 2.7Å; H454-F456 VanDerWaalsContact O-N 3.07Å
457V96.2Very high91.2Very high6 Ų647.5 Ų47.54%0.03622%0.221CC..EExtended strand (participates in β ladder)trans-116.3118.8178.2-177.80000109.2I428 L429 V430 F452 H454I428-V457 HydrophobicContact CG2-CG1 4.04Å; L429-V457 WeakPolarHBondContact O-CA 3.48Å; V430-V457 HydrophobicContact CG1-CG2 4.47Å; V430-V457 HydrophobicContact CG2-CG2 4.46Å; F452-V457 HydrophobicContact CD1-CG1 4.16Å; H454-V457 HydrophobicContact CB-CB 4.11Å; H454-V457 HydrophobicContact CB-CG2 3.74Å; H454-V457 PolarHBondContact O-N 2.94Å
458E94.8Very high91.9Very high55 Ų5549.2 Ų49.226%0.25723%0.228SC..EExtended strand (participates in β ladder)trans-110.8144.6172.5-70.6164.8-126.500109I428 L429 R431 H460I428-E458 CarbonylContact C-O 3.54Å; I428-E458 WeakPolarHBondContact CA-O 3.05Å; L429-E458 HydrophobicContact CB-CB 4.3Å; L429-E458 PolarHBondContact N-O 2.97Å; L429-E458 PolarHBondContact O-N 3.48Å; R431-E458 IonicContact CZ-OE1 2.7Å; R431-E458 IonicContact NE-OE1 2.97Å; R431-E458 PolarHBondContact NE-OE1 2.9Å; R431-E458 IonicContact NH2-OE1 3.44Å; R431-E458 PolarHBondContact NH2-OE1 3.19Å; R431-E458 IonicContact NH2-OE2 2.76Å; R431-E458 PolarHBondContact NH2-OE2 2.87Å; E458-H460 IonicContact OE2-NE2 2.65Å
459V94.9Very high92.9Very high13 Ų1344 Ų448%0.07920%0.201CC..EExtended strand (participates in β ladder)trans-134.2130.3175.462.10000109.2P347 R348 D426 L427 I428 F452P347-V459 HydrophobicContact CB-CG1 4.4Å; P347-V459 HydrophobicContact CB-CG2 3.76Å; P347-V459 HydrophobicContact CG-CG2 3.79Å; R348-V459 HydrophobicContact CG-CG1 4.35Å; D426-V459 HydrophobicContact CB-CG2 4.45Å; L427-V459 CarbonylContact O-C 3.5Å; L427-V459 WeakPolarHBondContact O-CA 3.22Å; I428-V459 HydrophobicContact CG1-CB 4.48Å; I428-V459 HydrophobicContact CG1-CG2 3.91Å; F452-V459 HydrophobicContact CB-CG1 4.18Å; F452-V459 HydrophobicContact CD1-CB 3.91Å; F452-V459 HydrophobicContact CD1-CG1 4.01Å; F452-V459 HydrophobicContact CD1-CG2 4.33Å; F452-V459 HydrophobicContact CD2-CG1 4.01Å; F452-V459 HydrophobicContact CE1-CB 3.97Å; F452-V459 HydrophobicContact CE1-CG1 4.33Å; F452-V459 HydrophobicContact CE1-CG2 3.88Å; F452-V459 HydrophobicContact CE2-CG1 4.31Å; F452-V459 HydrophobicContact CE2-CG2 4.44Å; F452-V459 HydrophobicContact CG-CB 4.25Å; F452-V459 HydrophobicContact CG-CG1 3.81Å; F452-V459 HydrophobicContact CZ-CB 4.32Å; F452-V459 HydrophobicContact CZ-CG1 4.43Å; F452-V459 HydrophobicContact CZ-CG2 3.89Å
460H94.7Very high93.3Very high50 Ų5045 Ų4523%0.23120%0.197CC..EExtended strand (participates in β ladder)trans-130134.2179.7-57.2-79.4000109.3F337 L427 E458 V462F337-H460 HydrophobicContact CD2-CB 4.32Å; F337-H460 HydrophobicContact CE2-CB 3.83Å; F337-H460 AromaticContact CE2-CG 3.78Å; F337-H460 AromaticContact CE2-ND1 3.89Å; F337-H460 HydrophobicContact CZ-CB 4.08Å; F337-H460 AromaticContact CZ-CD2 3.79Å; F337-H460 AromaticContact CZ-CE1 3.82Å; F337-H460 AromaticContact CZ-CG 3.53Å; F337-H460 AromaticContact CZ-ND1 3.56Å; F337-H460 AromaticContact CZ-NE2 3.97Å; L427-H460 HydrophobicContact CB-CB 4.49Å; L427-H460 PolarHBondContact N-O 3.47Å; L427-H460 PolarHBondContact O-N 3.41Å; E458-H460 IonicContact OE2-NE2 2.65Å; H460-V462 HydrophobicContact CB-CG1 3.8Å
461R94.9Very high93.1Very high16 Ų1647.6 Ų47.66%0.0621%0.207CC..EExtended strand (participates in β ladder)trans-86119.3169.7-174.9172.1171.3-14017.7109.2P339 A340 D342 V344 G345 D422 T424P339-R461 WeakPolarHBondContact CA-O 3.2Å; A340-R461 HydrophobicContact CB-CG 4.08Å; A340-R461 PolarHBondContact N-O 3.23Å; D342-R461 PolarHBondContact O-NH1 2.99Å; D342-R461 VanDerWaalsContact O-NH1 3.08Å; V344-R461 PolarHBondContact O-NH1 3.23Å; V344-R461 PolarHBondContact O-NH2 3.13Å; V344-R461 VanDerWaalsContact O-NH2 3.07Å; G345-R461 VanDerWaalsContact O-CD 3.31Å; G345-R461 WeakPolarHBondContact O-CD 3.32Å; G345-R461 PolarHBondContact O-NE 2.68Å; D422-R461 IonicContact OD2-CZ 3.45Å; D422-R461 IonicContact OD2-NE 3.5Å; D422-R461 PolarHBondContact OD2-NE 2.97Å; D422-R461 IonicContact OD2-NH2 3.94Å; D422-R461 PolarHBondContact OD2-NH2 2.77Å; T424-R461 HydrophobicContact CG2-CG 4.01Å; T424-R461 WeakPolarHBondContact OG1-CG 3.45Å; T424-R461 PolarHBondContact OG1-NE 3.12Å
462V95.7Very high91.9Very high0 Ų052.1 Ų52.10%024%0.237CC..EExtended strand (participates in β ladder)trans-132.3153.6-167.9-52.30000111.9F337 L338 T424 T425 L427 H460 F465F337-V462 HydrophobicContact CB-CB 4.3Å; F337-V462 HydrophobicContact CB-CG1 3.82Å; F337-V462 HydrophobicContact CD2-CB 4.45Å; F337-V462 HydrophobicContact CD2-CG1 3.38Å; F337-V462 HydrophobicContact CE2-CG1 4.16Å; F337-V462 HydrophobicContact CG-CG1 3.82Å; L338-V462 VanDerWaalsContact O-CA 3.32Å; L338-V462 WeakPolarHBondContact O-CA 3.22Å; L338-V462 WeakPolarHBondContact O-CB 3.46Å; T424-V462 WeakPolarHBondContact CA-O 3.4Å; T425-V462 HydrophobicContact CG2-CG2 3.69Å; T425-V462 PolarHBondContact N-O 2.63Å; T425-V462 PolarHBondContact O-N 2.62Å; L427-V462 HydrophobicContact CB-CG1 4.04Å; L427-V462 HydrophobicContact CB-CG2 3.88Å; L427-V462 HydrophobicContact CD2-CG1 4.2Å; H460-V462 HydrophobicContact CB-CG1 3.8Å; V462-F465 HydrophobicContact CG2-CB 4.47Å; V462-F465 HydrophobicContact CG2-CD1 4.18Å
463R94.7Very high90.3Very high63 Ų6355 Ų5524%0.23825%0.253CS..EExtended strand (participates in β ladder)trans-98.2-29.5171.5-63.2-177.1-175.9163.55.3112.3L338 D341 T424 V524L338-R463 PolarHBondContact O-N 3.37Å; D341-R463 IonicContact OD1-NH1 3.82Å; D341-R463 IonicContact OD1-NH2 3.74Å; D341-R463 IonicContact OD2-CZ 3.75Å; D341-R463 IonicContact OD2-NH1 2.63Å; D341-R463 PolarHBondContact OD2-NH1 2.85Å; D341-R463 IonicContact OD2-NH2 3.11Å; D341-R463 PolarHBondContact OD2-NH2 2.98Å; T424-R463 HydrophobicContact CG2-CG 4.44Å; R463-V524 WeakPolarHBondContact O-CG2 3.46Å; R463-V524 PolarHBondContact O-N 3.18Å
464K96.1Very high88.2Confident56 Ų5658.4 Ų58.424%0.24327%0.27CS..EExtended strand (participates in β ladder)trans-143.7146.6178-58.7-174178.1179.30109.7D229 F337 L338 W388 V522D229-K464 IonicContact OD1-NZ 3.26Å; D229-K464 PolarHBondContact OD1-NZ 2.84Å; F337-K464 CarbonylContact C-O 3.55Å; F337-K464 VanDerWaalsContact CA-O 3.29Å; F337-K464 WeakPolarHBondContact CA-O 3.19Å; F337-K464 WeakPolarHBondContact CB-O 3.45Å; L338-K464 HydrophobicContact CB-CB 4.24Å; L338-K464 PolarHBondContact N-O 3.11Å; W388-K464 HydrophobicContact CH2-CB 3.78Å; W388-K464 HydrophobicContact CZ2-CB 4.16Å; W388-K464 HydrophobicContact CZ2-CD 4.46Å; K464-V522 CarbonylContact C-O 3.42Å; K464-V522 WeakPolarHBondContact CA-O 3.44Å
465F97.8Very high85.5Confident0 Ų060.8 Ų60.80%030%0.295CS..EExtended strand (participates in β ladder)trans-147.5157.8165.674.7-86.5000111.3S336 F337 S400 T425 L427 V462 W508 I520 V522S336-F465 CarbonylContact O-C 3.58Å; S336-F465 WeakPolarHBondContact O-CA 3.38Å; S336-F465 WeakPolarHBondContact O-CB 3.44Å; F337-F465 HydrophobicContact CB-CB 3.71Å; S400-F465 VanDerWaalsContact CB-CE1 3.46Å; T425-F465 HydrophobicContact CG2-CE1 4.48Å; L427-F465 HydrophobicContact CD1-CD1 4.36Å; L427-F465 HydrophobicContact CD1-CD2 4.06Å; L427-F465 HydrophobicContact CD1-CE1 4.5Å; L427-F465 HydrophobicContact CD1-CE2 4.22Å; L427-F465 HydrophobicContact CD1-CG 4.13Å; L427-F465 HydrophobicContact CD1-CZ 4.43Å; L427-F465 HydrophobicContact CD2-CB 4.01Å; L427-F465 HydrophobicContact CD2-CG 4.3Å; V462-F465 HydrophobicContact CG2-CB 4.47Å; V462-F465 HydrophobicContact CG2-CD1 4.18Å; F465-W508 HydrophobicContact CE2-CH2 4.13Å; F465-I520 HydrophobicContact CE2-CD1 4.46Å; F465-V522 HydrophobicContact CD1-CB 3.77Å; F465-V522 HydrophobicContact CD1-CG1 4.22Å; F465-V522 HydrophobicContact CD1-CG2 4.32Å; F465-V522 HydrophobicContact CE1-CB 3.44Å; F465-V522 VanDerWaalsContact CE1-CB 3.44Å; F465-V522 HydrophobicContact CE1-CG1 3.64Å; F465-V522 HydrophobicContact CE1-CG2 3.66Å; F465-V522 HydrophobicContact CE2-CB 4.37Å; F465-V522 HydrophobicContact CE2-CG2 3.88Å; F465-V522 HydrophobicContact CG-CB 4.38Å; F465-V522 HydrophobicContact CZ-CB 3.78Å; F465-V522 HydrophobicContact CZ-CG1 4.22Å; F465-V522 HydrophobicContact CZ-CG2 3.41Å; F465-V522 VanDerWaalsContact CZ-CG2 3.41Å; F465-V522 PolarHBondContact N-O 3.33Å; F465-V522 PolarHBondContact O-N 2.89Å
466R97.3Very high82.7Confident75 Ų7557.4 Ų57.428%0.28330%0.298SS..EExtended strand (participates in β ladder)trans-129.4146.9169.661173.8-179.2-156.1-7.9109.7V335 S336 D385 W388 I520V335-R466 WeakPolarHBondContact CA-O 3.47Å; S336-R466 VanDerWaalsContact CB-NE 3.29Å; S336-R466 PolarHBondContact N-O 3.24Å; S336-R466 PolarHBondContact O-N 3.22Å; S336-R466 PolarHBondContact OG-NE 2.59Å; S336-R466 PolarHBondContact OG-NH2 3.18Å; D385-R466 IonicContact OD1-NH2 2.84Å; W388-R466 HydrophobicContact CZ3-CG 4.18Å; R466-I520 CarbonylContact C-O 3.56Å; R466-I520 WeakPolarHBondContact CA-O 3.49Å
467F97.3Very high79.8Confident1 Ų165.7 Ų65.70%0.00434%0.342CS..EExtended strand (participates in β ladder)trans-123131.6169.6175-110000109.5Y296 T334 V335 I398 P469 W508 T518 A519 I520Y296-F467 AromaticContact CD1-CE1 3.96Å; Y296-F467 HydrophobicContact CD1-CE1 3.96Å; Y296-F467 HydrophobicContact CD1-CZ 4.17Å; Y296-F467 AromaticContact CE1-CE1 3.58Å; Y296-F467 HydrophobicContact CE1-CE1 3.58Å; Y296-F467 AromaticContact CE1-CZ 3.74Å; Y296-F467 HydrophobicContact CE1-CZ 3.74Å; Y296-F467 HydrophobicContact CE2-CE1 4.27Å; Y296-F467 HydrophobicContact CG-CE1 4.48Å; Y296-F467 AromaticContact CZ-CE1 3.76Å; T334-F467 WeakPolarHBondContact O-CA 3.49Å; V335-F467 HydrophobicContact CG2-CD2 3.81Å; V335-F467 HydrophobicContact CG2-CE2 4.46Å; I398-F467 HydrophobicContact CD1-CD2 3.42Å; I398-F467 VanDerWaalsContact CD1-CD2 3.42Å; I398-F467 HydrophobicContact CD1-CE2 3.36Å; I398-F467 HydrophobicContact CD1-CG 4.06Å; I398-F467 HydrophobicContact CD1-CZ 3.97Å; F467-P469 HydrophobicContact CE1-CB 4.46Å; F467-W508 HydrophobicContact CB-CH2 4.39Å; F467-W508 HydrophobicContact CB-CZ2 3.82Å; F467-W508 AromaticContact CD1-CZ2 3.73Å; F467-W508 HydrophobicContact CD1-CZ2 3.73Å; F467-W508 AromaticContact CG-CZ2 3.99Å; F467-W508 HydrophobicContact CG-CZ2 3.99Å; F467-T518 WeakPolarHBondContact CD1-O 3.09Å; F467-T518 HydrophobicContact CE1-CG2 3.91Å; F467-A519 CarbonylContact O-C 3.6Å; F467-A519 VanDerWaalsContact O-CA 3.23Å; F467-A519 WeakPolarHBondContact O-CA 3.23Å; F467-I520 PolarHBondContact N-O 3.46Å; F467-I520 PolarHBondContact O-N 3.35Å
468E95.6Very high77Confident87 Ų8774.3 Ų74.341%0.40738%0.382SS..EExtended strand (participates in β ladder)trans-126.3119.1177.1-67.2171.3176.300108.6G333 T334G333-E468 CarbonylContact C-O 3.56Å; G333-E468 WeakPolarHBondContact CA-O 3.31Å; T334-E468 PolarHBondContact N-O 2.84Å; T334-E468 PolarHBondContact O-N 3.35Å
469P93.9Very high74.3Confident17 Ų1779.6 Ų79.611%0.1141%0.411CS..EExtended strand (participates in β ladder)trans-67.2150.1174.231.2-35.3000110.3F467 H471 T518F467-P469 HydrophobicContact CE1-CB 4.46Å; P469-H471 PolarHBondContact O-N 2.79Å; P469-T518 HydrophobicContact CB-CG2 3.71Å; P469-T518 HydrophobicContact CG-CG2 3.59Å
470W88.4Confident71.3Confident114 Ų11483.8 Ų83.843%0.43245%0.447SS..SBendtrans-65.1-25.1177.7-71.6-20.1000113.8G332 G333 G393 K394G332-W470 PolarHBondContact O-N 3.35Å; G333-W470 VanDerWaalsContact CA-CD1 3.45Å; G333-W470 PolarHBondContact O-NE1 2.87Å; G393-W470 WeakPolarHBondContact O-CZ2 3.46Å; K394-W470 HydrophobicContact CD-CZ3 4.33Å; K394-W470 VanDerWaalsContact CE-CZ3 3.42Å; K394-W470 HydrophobicContact CG-CH2 3.81Å; K394-W470 HydrophobicContact CG-CZ3 3.9Å
471H77.9Confident68.5Low114 Ų11486.3 Ų86.353%0.52847%0.471SS..SBendtrans-115.3104.8173-59.8-60.8000107.1P469P469-H471 PolarHBondContact O-N 2.79Å
472P58.7Low65.5Low101 Ų10194.4 Ų94.466%0.65651%0.509SS*.  trans-73.1151.6-179.326.4-31000111.8L474P472-L474 PolarHBondContact O-N 3.5Å; P472-L474 VanDerWaalsContact O-N 3.13Å
473D54.8Low62.4Low64 Ų64103 Ų10334%0.34255%0.549SS..  trans-35.8110.2179.3-56.5-6.4000112.6H282 A475H282-D473 IonicContact CE1-OD2 3.37Å; D473-A475 PolarHBondContact O-N 3.38Å
474L44.9Very low59.7Low169 Ų169106.1 Ų106.189%0.88558%0.578SS**  trans-74.1105.2157.6-73.9170000106.2P472P472-L474 PolarHBondContact O-N 3.5Å; P472-L474 VanDerWaalsContact O-N 3.13Å
475A36.1Very low56.6Low81 Ų81112.3 Ų112.367%0.66961%0.607SS**  trans-48.6141.9175.800000110.8D473 L477D473-A475 PolarHBondContact O-N 3.38Å; A475-L477 PolarHBondContact O-N 2.93Å
476P37.1Very low53.4Low122 Ų122117.9 Ų117.979%0.79265%0.646SS**  trans-59.3117.9174.9-16.828.7000108.8E478P476-E478 PolarHBondContact O-N 2.93Å
477L34.4Very low50.6Low176 Ų176120.2 Ų120.292%0.92167%0.671SS**  trans-60.7105.8169.3-78.6159.5000107.8A475A475-L477 PolarHBondContact O-N 2.93Å
478E36.8Very low47.3Very low187 Ų187128.4 Ų128.487%0.87472%0.715SS**  trans-62.9133.3164.9-71-175.2155.400109.4P476P476-E478 PolarHBondContact O-N 2.93Å
479D38.9Very low44.3Very low165 Ų165132 Ų13288%0.88274%0.736SS**  trans3.6109.3170-73-34.6000118.6
480A31.3Very low41.2Very low101 Ų101136.6 Ų136.684%0.83577%0.769SS**  trans-131.690.5146.900000108.8E482A480-E482 PolarHBondContact O-N 3.36Å
481S35.9Very low38.8Very low104 Ų104137 Ų13773%0.72779%0.786SS**  trans-58.3125.1156.955.60000109.4
482E31.6Very low37Very low186 Ų186139.8 Ų139.887%0.86980%0.803SS**  trans176.8119130.7-95.7171.3-165.700110.6A480A480-E482 PolarHBondContact O-N 3.36Å
483H31.4Very low35.4Very low181 Ų181140.1 Ų140.184%0.83881%0.808SS**  trans-66.6153.5161.4-84.4-66.3000110
484P37.5Very low34.3Very low128 Ų128141.4 Ų141.483%0.83182%0.822SS**  -145.4167.485.831.7-10.4000116.8
485E31.8Very low33.7Very low185 Ų185141.8 Ų141.886%0.86482%0.824SS**  trans-68.4151.4-171.3-54.6171.9146.100115.9
486S30.4Very low33.3Very low118 Ų118146.7 Ų146.783%0.82583%0.833SS**  -174.3150.7119.6500000111.9
487P37.2Very low32.9Very low124 Ų124148.9 Ų148.981%0.80583%0.833SS**  trans-101.6139-176.436.2-26.6000111.6
488D27.5Very low32.7Very low173 Ų173147.1 Ų147.193%0.92583%0.829SS**  trans-143.7134.4157.7-127.8-14.7000111.9
489L33.2Very low32.5Very low162 Ų162147.2 Ų147.285%0.84882%0.823SS**  trans-100.7143.7-170.4-87.9158.3000111.2
490S28.9Very low32.2Very low114 Ų114145.9 Ų145.980%0.79782%0.816SS**  trans117.1158150.376.10000116.6
491P37.8Very low32.5Very low122 Ų122145.8 Ų145.879%0.79280%0.801SS**  cis-127.5165.1-49.434.3-19.2000113.1
492I40.8Very low32.8Very low173 Ų173150.6 Ų150.689%0.88780%0.803SS**  trans-62133.9-176.9-62.3157.9000113.3
493S25.7Very low33.7Very low107 Ų107146.8 Ų146.875%0.74879%0.793SS**  trans-160.793.3155.4-1650000108.8
494S30.5Very low35.4Very low92 Ų92141.1 Ų141.164%0.64378%0.778SS**  106.9125.694.2700000110.9
495L33.2Very low37.4Very low176 Ų176138.9 Ų138.992%0.92176%0.756SS**  trans76.173.2176.3-57.1165.6000115.4
496Q26.8Very low40.3Very low185 Ų185130.3 Ų130.386%0.86472%0.716SS**  trans-122.5101.2154-151.1144.5-6.500106.7T498Q496-T498 PolarHBondContact O-N 3.35Å; Q496-T498 VanDerWaalsContact O-N 3.15Å
497E29.6Very low43.3Very low168 Ų168125.9 Ų125.979%0.78569%0.686SS**  trans-44.8122.6157.4-68.1179.6156.600106.4Y499E497-Y499 PolarHBondContact O-N 2.77Å
498T29.1Very low46.1Very low138 Ų138120 Ų12085%0.84765%0.647SS**  trans-61.483.6174.737.40000108.7Q496 D500Q496-T498 PolarHBondContact O-N 3.35Å; Q496-T498 VanDerWaalsContact O-N 3.15Å; T498-D500 PolarHBondContact O-N 3.06Å
499Y33.6Very low49.4Very low189 Ų189112.7 Ų112.774%0.74161%0.608SS**  trans-72.676.3160.2-126-94.3000105.9E497 D501E497-Y499 PolarHBondContact O-N 2.77Å; Y499-D501 HydrophobicContact CD1-CB 3.62Å; Y499-D501 HydrophobicContact CE1-CB 4.02Å; Y499-D501 PolarHBondContact O-N 3.12Å
500D32.1Very low52.4Low137 Ų137105 Ų10573%0.73357%0.568SS**  trans-81.356.7167.2-137.40.8000107.3T498 R502T498-D500 PolarHBondContact O-N 3.06Å; D500-R502 PolarHBondContact O-N 2.91Å
501D38Very low55.5Low100 Ų100100.6 Ų100.654%0.53554%0.536SS..  trans-82.767.6171.7-15720.3000106.7Y499 T503Y499-D501 HydrophobicContact CD1-CB 3.62Å; Y499-D501 HydrophobicContact CE1-CB 4.02Å; Y499-D501 PolarHBondContact O-N 3.12Å; D501-T503 PolarHBondContact O-N 3.34Å; D501-T503 VanDerWaalsContact O-N 3.08Å
502R42.6Very low58Low204 Ų20496.6 Ų96.677%0.7752%0.516SS*.  trans-62.1113.3158.6-74.8-173.8-179-163.9-2.4105.4D500 A504D500-R502 PolarHBondContact O-N 2.91Å; R502-A504 PolarHBondContact O-N 2.72Å
503T50.9Low60.4Low106 Ų10691.9 Ų91.965%0.6549%0.491SS*.  trans-51.763.6165.849.60000111.2D501 E505D501-T503 PolarHBondContact O-N 3.34Å; D501-T503 VanDerWaalsContact O-N 3.08Å; T503-E505 PolarHBondContact O-N 2.8Å; T503-E505 VanDerWaalsContact O-N 3.13Å
504A65.3Low63.7Low63 Ų6389 Ų8952%0.52147%0.467SS..  trans-77.9100.7174.800000106.2Y331 R502Y331-A504 WeakPolarHBondContact CD1-O 3.39Å; Y331-A504 WeakPolarHBondContact CE1-O 3.36Å; R502-A504 PolarHBondContact O-N 2.72Å
505E81.3Confident66.7Low81 Ų8185.4 Ų85.438%0.37944%0.44SS..  trans-78.8141.9163.6-67.9177.5-157.500108.9T503 T518T503-E505 PolarHBondContact O-N 2.8Å; T503-E505 VanDerWaalsContact O-N 3.13Å; E505-T518 PolarHBondContact OE2-OG1 2.97Å
506S91.9Very high69.3Low4 Ų484.7 Ų84.73%0.02843%0.431CS..  trans-85.6171.4167.6-167.10000110.3Y296 G297 D301Y296-S506 VanDerWaalsContact CE2-O 3.24Å; Y296-S506 WeakPolarHBondContact CE2-O 3.3Å; Y296-S506 PolarHBondContact OH-N 2.87Å; G297-S506 VanDerWaalsContact CA-OG 3.23Å; G297-S506 WeakPolarHBondContact CA-OG 3.27Å; G297-S506 PolarHBondContact N-OG 2.78Å; G297-S506 PolarHBondContact O-OG 3.34Å; D301-S506 WeakPolarHBondContact OD1-CB 3.36Å; D301-S506 PolarHBondContact OD1-OG 2.54Å
507S93.4Very high72.4Confident26 Ų2679.2 Ų79.218%0.18241%0.406CS..  trans-105.2163.9170.4-49.80000110.3G300G300-S507 WeakPolarHBondContact CA-O 3.39Å
508W96.8Very high75.4Confident0 Ų071.3 Ų71.30%037%0.369CS..EExtended strand (participates in β ladder)trans-89.8134.2167-69.485.8000111L294 Y296 I398 F465 F467 I514 L515 H517 T518 I520L294-W508 HydrophobicContact CB-CE3 4.37Å; L294-W508 HydrophobicContact CB-CZ3 4.45Å; Y296-W508 AromaticContact CD2-CD1 3.67Å; Y296-W508 AromaticContact CD2-CD2 3.88Å; Y296-W508 HydrophobicContact CD2-CD2 3.88Å; Y296-W508 AromaticContact CD2-CE2 3.55Å; Y296-W508 AromaticContact CD2-CG 3.94Å; Y296-W508 HydrophobicContact CD2-CG 3.94Å; Y296-W508 HydrophobicContact CD2-CZ2 4.09Å; Y296-W508 AromaticContact CD2-NE1 3.43Å; Y296-W508 AromaticContact CE2-NE1 3.98Å; Y296-W508 HydrophobicContact CG-CD2 4.18Å; Y296-W508 AromaticContact CG-CE2 3.82Å; Y296-W508 HydrophobicContact CG-CH2 4.36Å; Y296-W508 AromaticContact CG-CZ2 3.91Å; Y296-W508 HydrophobicContact CG-CZ2 3.91Å; I398-W508 HydrophobicContact CB-CH2 4.23Å; I398-W508 HydrophobicContact CG2-CH2 3.87Å; I398-W508 HydrophobicContact CG2-CZ3 4.44Å; F465-W508 HydrophobicContact CE2-CH2 4.13Å; F467-W508 HydrophobicContact CB-CH2 4.39Å; F467-W508 HydrophobicContact CB-CZ2 3.82Å; F467-W508 AromaticContact CD1-CZ2 3.73Å; F467-W508 HydrophobicContact CD1-CZ2 3.73Å; F467-W508 AromaticContact CG-CZ2 3.99Å; F467-W508 HydrophobicContact CG-CZ2 3.99Å; W508-I514 CarbonylContact O-C 3.56Å; W508-I514 WeakPolarHBondContact O-CA 3.41Å; W508-L515 HydrophobicContact CB-CB 4.04Å; W508-L515 HydrophobicContact CB-CD1 4.14Å; W508-L515 HydrophobicContact CB-CG 4.23Å; W508-L515 PolarHBondContact N-O 3.39Å; W508-L515 PolarHBondContact O-N 3.03Å; W508-H517 VanDerWaalsContact CD1-O 3.29Å; W508-T518 PolarHBondContact NE1-O 3.43Å; W508-I520 HydrophobicContact CD2-CD1 3.55Å; W508-I520 HydrophobicContact CD2-CG1 4.37Å; W508-I520 HydrophobicContact CE3-CD1 3.83Å; W508-I520 HydrophobicContact CG-CD1 4.2Å; W508-I520 HydrophobicContact CH2-CD1 3.8Å; W508-I520 HydrophobicContact CH2-CG1 4.34Å; W508-I520 HydrophobicContact CZ2-CD1 3.51Å; W508-I520 HydrophobicContact CZ2-CG1 3.69Å; W508-I520 HydrophobicContact CZ3-CD1 3.95Å
509N95.8Very high78.5Confident19 Ų1965.8 Ų65.810%0.10234%0.337CS..EExtended strand (participates in β ladder)trans-82.1120.4156.5171.910000108.2L294 G295 L303 G512 E513L294-N509 CarbonylContact C-O 3.59Å; L294-N509 VanDerWaalsContact CA-O 3.22Å; L294-N509 WeakPolarHBondContact CA-O 3.48Å; G295-N509 PolarHBondContact N-O 3.16Å; G295-N509 PolarHBondContact O-N 3.44Å; L303-N509 HydrophobicContact CB-CB 4.32Å; L303-N509 HydrophobicContact CD2-CB 3.75Å; L303-N509 WeakPolarHBondContact CD2-OD1 3.43Å; N509-G512 VanDerWaalsContact OD1-CA 3.29Å; N509-G512 WeakPolarHBondContact OD1-CA 3.32Å; N509-G512 PolarHBondContact OD1-N 3.23Å; N509-E513 CarbonylContact C-O 3.46Å
510C96.1Very high81.6Confident0 Ų057 Ų570%030%0.303CS..EExtended strand (participates in β ladder)trans-120.197.5174-178.90000108.4K288 L294 G512 E513 L515K288-C510 HydrophobicContact CD-CB 4.25Å; L294-C510 HydrophobicContact CD2-CB 3.66Å; C510-G512 PolarHBondContact O-N 3.16Å; C510-G512 VanDerWaalsContact O-N 3.16Å; C510-E513 PolarHBondContact N-O 3Å; C510-E513 PolarHBondContact O-N 2.99Å; C510-L515 HydrophobicContact CB-CD1 3.9Å; C510-L515 HydrophobicContact CB-CD2 4.08Å; C510-L515 HydrophobicContact CB-CG 3.8Å
511D93.7Very high84.7Confident22 Ų2253.2 Ų53.212%0.11828%0.281CS..THydrogen-bonded Turntrans52.133.6-177.8-63.4-15.7000114.8S290 V291 S292 L293S290-D511 WeakPolarHBondContact CA-OD2 3.13Å; S290-D511 PolarHBondContact OG-OD1 3.32Å; S290-D511 PolarHBondContact OG-OD2 3.46Å; V291-D511 WeakPolarHBondContact CG2-OD2 3.24Å; V291-D511 PolarHBondContact N-OD2 2.93Å; S292-D511 WeakPolarHBondContact CA-OD1 3.46Å; S292-D511 WeakPolarHBondContact CB-OD1 3.35Å; S292-D511 PolarHBondContact N-OD1 2.94Å; S292-D511 VanDerWaalsContact OG-CG 3.27Å; S292-D511 PolarHBondContact OG-OD1 3.49Å; L293-D511 PolarHBondContact N-OD1 3.36Å; L293-D511 PolarHBondContact O-N 3Å
512G90.3Very high87.5Confident38 Ų3848.4 Ų48.439%0.39226%0.255SS..THydrogen-bonded Turntrans91.14.9-178.400000114.7N509 C510N509-G512 VanDerWaalsContact OD1-CA 3.29Å; N509-G512 WeakPolarHBondContact OD1-CA 3.32Å; N509-G512 PolarHBondContact OD1-N 3.23Å; C510-G512 PolarHBondContact O-N 3.16Å; C510-G512 VanDerWaalsContact O-N 3.16Å
513E91.7Very high90.1Very high75 Ų7538.8 Ų38.835%0.3522%0.219SC..EExtended strand (participates in β ladder)trans-111.4150.6171.9-62.5-175.7-127.700111.3S207 K288 N509 C510S207-E513 PolarHBondContact OG-OE1 3.09Å; K288-E513 WeakPolarHBondContact CE-OE1 3.41Å; K288-E513 WeakPolarHBondContact CE-OE2 3.37Å; K288-E513 IonicContact NZ-OE1 2.63Å; K288-E513 PolarHBondContact NZ-OE1 3.1Å; K288-E513 IonicContact NZ-OE2 3.41Å; K288-E513 PolarHBondContact NZ-OE2 3.49Å; N509-E513 CarbonylContact C-O 3.46Å; C510-E513 PolarHBondContact N-O 3Å; C510-E513 PolarHBondContact O-N 2.99Å
514I94.4Very high92.3Very high47 Ų4734.7 Ų34.724%0.24119%0.194CC..EExtended strand (participates in β ladder)trans-91.2129.3-176.5-60.6170.7000109.4L303 E307 W508L303-I514 HydrophobicContact CD2-CG1 3.71Å; L303-I514 HydrophobicContact CG-CD1 4.46Å; L303-I514 HydrophobicContact CG-CG1 3.92Å; E307-I514 HydrophobicContact CB-CD1 4.27Å; E307-I514 HydrophobicContact CG-CD1 3.95Å; W508-I514 CarbonylContact O-C 3.56Å; W508-I514 WeakPolarHBondContact O-CA 3.41Å
515L94.4Very high93.7Very high15 Ų1532.9 Ų32.98%0.07918%0.175CC..EExtended strand (participates in β ladder)trans-98.1134.7163.5-46176.7000109.5V280 K288 L294 W508 C510V280-L515 HydrophobicContact CG1-CD1 3.88Å; K288-L515 HydrophobicContact CB-CD2 4.02Å; K288-L515 HydrophobicContact CD-CD2 3.9Å; L294-L515 HydrophobicContact CD2-CD1 4.4Å; W508-L515 HydrophobicContact CB-CB 4.04Å; W508-L515 HydrophobicContact CB-CD1 4.14Å; W508-L515 HydrophobicContact CB-CG 4.23Å; W508-L515 PolarHBondContact N-O 3.39Å; W508-L515 PolarHBondContact O-N 3.03Å; C510-L515 HydrophobicContact CB-CD1 3.9Å; C510-L515 HydrophobicContact CB-CD2 4.08Å; C510-L515 HydrophobicContact CB-CG 3.8Å
516H87.4Confident94.4Very high161 Ų16130.9 Ų30.975%0.74517%0.169SC*.  trans-87.8-14.5-176.2-65.9-65.9000114.1
517H91.8Very high94.6Very high70 Ų7032.4 Ų32.432%0.32418%0.176SC..  trans-88.1127.8177.1-63.2-75.1000110.3H282 L287 W508H282-H517 HydrophobicContact CB-CB 4.1Å; H282-H517 AromaticContact CD2-CE1 3.86Å; H282-H517 AromaticContact CD2-CG 3.8Å; H282-H517 AromaticContact CD2-ND1 3.42Å; H282-H517 PolarHBondContact CD2-ND1 2.97Å; H282-H517 AromaticContact CE1-ND1 3.91Å; H282-H517 AromaticContact CG-CG 3.78Å; H282-H517 AromaticContact CG-ND1 3.85Å; H282-H517 AromaticContact NE2-ND1 3.48Å; H282-H517 PolarHBondContact NE2-ND1 3.29Å; L287-H517 HydrophobicContact CD1-CB 4.14Å; W508-H517 VanDerWaalsContact CD1-O 3.29Å
518T92.1Very high94.7Very high3 Ų331.3 Ų31.32%0.01817%0.168CC..SBendtrans-76.4-48.6179.3-62.80000111.1Y296 F467 P469 E505 W508Y296-T518 HydrophobicContact CE2-CG2 3.79Å; Y296-T518 WeakPolarHBondContact OH-CG2 3.21Å; F467-T518 WeakPolarHBondContact CD1-O 3.09Å; F467-T518 HydrophobicContact CE1-CG2 3.91Å; P469-T518 HydrophobicContact CB-CG2 3.71Å; P469-T518 HydrophobicContact CG-CG2 3.59Å; E505-T518 PolarHBondContact OE2-OG1 2.97Å; W508-T518 PolarHBondContact NE1-O 3.43Å
519A95.8Very high94.8Very high21 Ų2131.3 Ų31.317%0.17417%0.168CC..SBendtrans-75.4127.1176.300000110.4H282 F467H282-A519 PolarHBondContact ND1-O 3.41Å; F467-A519 CarbonylContact O-C 3.6Å; F467-A519 VanDerWaalsContact O-CA 3.23Å; F467-A519 WeakPolarHBondContact O-CA 3.23Å
520I97.1Very high94.9Very high6 Ų635.5 Ų35.53%0.03118%0.183CC..EExtended strand (participates in β ladder)trans-139.7154178.464.3167.7000111.6V280 H281 L287 F465 R466 F467 W508 V522V280-I520 HydrophobicContact CG1-CB 4.06Å; V280-I520 HydrophobicContact CG1-CD1 4.11Å; V280-I520 HydrophobicContact CG1-CG2 4.11Å; H281-I520 CarbonylContact O-C 3.6Å; H281-I520 WeakPolarHBondContact O-CA 3.36Å; L287-I520 HydrophobicContact CD1-CG2 4.33Å; F465-I520 HydrophobicContact CE2-CD1 4.46Å; R466-I520 CarbonylContact C-O 3.56Å; R466-I520 WeakPolarHBondContact CA-O 3.49Å; F467-I520 PolarHBondContact N-O 3.46Å; F467-I520 PolarHBondContact O-N 3.35Å; W508-I520 HydrophobicContact CD2-CD1 3.55Å; W508-I520 HydrophobicContact CD2-CG1 4.37Å; W508-I520 HydrophobicContact CE3-CD1 3.83Å; W508-I520 HydrophobicContact CG-CD1 4.2Å; W508-I520 HydrophobicContact CH2-CD1 3.8Å; W508-I520 HydrophobicContact CH2-CG1 4.34Å; W508-I520 HydrophobicContact CZ2-CD1 3.51Å; W508-I520 HydrophobicContact CZ2-CG1 3.69Å; W508-I520 HydrophobicContact CZ3-CD1 3.95Å; I520-V522 HydrophobicContact CD1-CG2 3.7Å; I520-V522 HydrophobicContact CG1-CG2 4.26Å
521Q97.6Very high95Very high56 Ų5635.7 Ų35.726%0.26218%0.183SC..EExtended strand (participates in β ladder)trans-116.3138164.2176.9173.9-20.500108.5P228 V280 H281P228-Q521 VanDerWaalsContact CB-NE2 3.31Å; V280-Q521 CarbonylContact C-O 3.52Å; V280-Q521 WeakPolarHBondContact CA-O 3.18Å; H281-Q521 PolarHBondContact N-O 2.92Å; H281-Q521 PolarHBondContact O-N 3.38Å
522V97.8Very high95.2Very high0 Ų034.8 Ų34.80%018%0.178CC..EExtended strand (participates in β ladder)trans-129.3131.2-178.2-174.80000109.3C278 S279 V280 L294 K464 F465 I520C278-V522 HydrophobicContact CB-CG1 3.8Å; S279-V522 WeakPolarHBondContact O-CA 3.23Å; V280-V522 HydrophobicContact CG1-CG2 4.31Å; V280-V522 HydrophobicContact CG2-CG2 4.25Å; L294-V522 HydrophobicContact CD1-CG1 3.99Å; L294-V522 HydrophobicContact CD1-CG2 4.15Å; K464-V522 CarbonylContact C-O 3.42Å; K464-V522 WeakPolarHBondContact CA-O 3.44Å; F465-V522 HydrophobicContact CD1-CB 3.77Å; F465-V522 HydrophobicContact CD1-CG1 4.22Å; F465-V522 HydrophobicContact CD1-CG2 4.32Å; F465-V522 HydrophobicContact CE1-CB 3.44Å; F465-V522 VanDerWaalsContact CE1-CB 3.44Å; F465-V522 HydrophobicContact CE1-CG1 3.64Å; F465-V522 HydrophobicContact CE1-CG2 3.66Å; F465-V522 HydrophobicContact CE2-CB 4.37Å; F465-V522 HydrophobicContact CE2-CG2 3.88Å; F465-V522 HydrophobicContact CG-CB 4.38Å; F465-V522 HydrophobicContact CZ-CB 3.78Å; F465-V522 HydrophobicContact CZ-CG1 4.22Å; F465-V522 HydrophobicContact CZ-CG2 3.41Å; F465-V522 VanDerWaalsContact CZ-CG2 3.41Å; F465-V522 PolarHBondContact N-O 3.33Å; F465-V522 PolarHBondContact O-N 2.89Å; I520-V522 HydrophobicContact CD1-CG2 3.7Å; I520-V522 HydrophobicContact CG1-CG2 4.26Å
523S96.8Very high95.4Very high2 Ų233 Ų331%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-124.4132.3175.2-640000109.9P228 C278 S279P228-S523 PolarHBondContact O-OG 3.18Å; C278-S523 CarbonylContact C-O 3.53Å; C278-S523 WeakPolarHBondContact CA-O 3.24Å; S279-S523 PolarHBondContact N-O 2.85Å; S279-S523 PolarHBondContact O-N 3.49Å; S279-S523 PolarHBondContact OG-O 3.21Å
524V96.4Very high95.5Very high20 Ų2031.6 Ų31.612%0.12115%0.152CC..EExtended strand (participates in β ladder)trans-86.3124.2176.7-173.70000110.1D276 T425 R463D276-V524 HydrophobicContact CB-CG1 3.97Å; T425-V524 HydrophobicContact CG2-CG2 3.68Å; R463-V524 WeakPolarHBondContact O-CG2 3.46Å; R463-V524 PolarHBondContact O-N 3.18Å
525Q95.9Very high95.4Very high24 Ų2429.5 Ų29.511%0.11214%0.142CC..EExtended strand (participates in β ladder)trans-99.7105.8177.2-55-68.6-18.400108.5A230 L232 D276 V277 Q527 L528A230-Q525 PolarHBondContact O-NE2 3.43Å; L232-Q525 HydrophobicContact CD1-CG 3.77Å; L232-Q525 HydrophobicContact CG-CG 4.13Å; D276-Q525 WeakPolarHBondContact CA-O 3.21Å; V277-Q525 PolarHBondContact N-O 3.06Å; V277-Q525 WeakPolarHBondContact O-CA 3.32Å; V277-Q525 WeakPolarHBondContact O-CB 3.41Å; V277-Q525 WeakPolarHBondContact O-CG 3.44Å; V277-Q525 PolarHBondContact O-N 2.89Å; Q525-Q527 PolarHBondContact O-N 2.67Å; Q525-L528 HydrophobicContact CB-CB 4.06Å; Q525-L528 HydrophobicContact CB-CD2 4.04Å; Q525-L528 HydrophobicContact CB-CG 4.44Å
526C94.9Very high95.3Very high39 Ų3929.5 Ų29.526%0.26414%0.142SC..EExtended strand (participates in β ladder)trans-68.4124.5-171.3-172.10000111.5D276 G423 L528D276-C526 WeakPolarHBondContact OD1-CA 3.25Å; G423-C526 VanDerWaalsContact CA-SG 3.51Å; G423-C526 PolarHBondContact N-SG 3.49Å; G423-C526 VanDerWaalsContact N-SG 3.43Å; C526-L528 PolarHBondContact O-N 3.13Å; C526-L528 VanDerWaalsContact O-N 3.17Å
527Q95.6Very high95.4Very high37 Ų3723.7 Ų23.717%0.17312%0.115CC..EExtended strand (participates in β ladder)trans52.235.4176-55.3-175.495.700114P274 M275 D276 A421 Q525 I529P274-Q527 HydrophobicContact CB-CB 3.99Å; P274-Q527 HydrophobicContact CB-CG 3.84Å; P274-Q527 VanDerWaalsContact CB-OE1 3.26Å; P274-Q527 VanDerWaalsContact CG-OE1 3.28Å; M275-Q527 CarbonylContact O-C 3.5Å; M275-Q527 WeakPolarHBondContact O-CA 3.28Å; D276-Q527 PolarHBondContact OD1-N 3.28Å; A421-Q527 HydrophobicContact CB-CG 3.88Å; Q525-Q527 PolarHBondContact O-N 2.67Å; Q527-I529 PolarHBondContact O-N 3.24Å
528L97.3Very high94.9Very high2 Ų228 Ų281%0.0114%0.136CC..EExtended strand (participates in β ladder)trans-61.7-30.7-176.1-174.367.1000112.6V214 L232 V233 P234 C235 M275 V277 Q525 C526V214-L528 HydrophobicContact CG1-CD2 3.95Å; V214-L528 HydrophobicContact CG2-CD2 4.2Å; L232-L528 HydrophobicContact CB-CD1 3.55Å; L232-L528 HydrophobicContact CD1-CD1 4.45Å; L232-L528 HydrophobicContact CD1-CD2 3.93Å; V233-L528 WeakPolarHBondContact O-CD1 3.04Å; P234-L528 WeakPolarHBondContact CA-O 3.32Å; C235-L528 PolarHBondContact N-O 2.99Å; M275-L528 PolarHBondContact O-N 3.13Å; V277-L528 HydrophobicContact CB-CB 4.08Å; V277-L528 HydrophobicContact CB-CD2 3.73Å; V277-L528 HydrophobicContact CG1-CD2 4.09Å; V277-L528 HydrophobicContact CG2-CB 3.84Å; V277-L528 HydrophobicContact CG2-CD2 3.96Å; V277-L528 HydrophobicContact CG2-CG 4.35Å; Q525-L528 HydrophobicContact CB-CB 4.06Å; Q525-L528 HydrophobicContact CB-CD2 4.04Å; Q525-L528 HydrophobicContact CB-CG 4.44Å; C526-L528 PolarHBondContact O-N 3.13Å; C526-L528 VanDerWaalsContact O-N 3.17Å
529I97.8Very high93.7Very high1 Ų133.9 Ų33.91%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-129.6165.2179.767.6-179.7000111.5F206 L210 V214 C235 I239 P274 M275 V277 V291 Q527 L531F206-I529 HydrophobicContact CZ-CD1 3.86Å; L210-I529 HydrophobicContact CD1-CD1 3.68Å; L210-I529 HydrophobicContact CD1-CG2 3.69Å; V214-I529 HydrophobicContact CG2-CG2 4.01Å; C235-I529 HydrophobicContact CB-CG2 4.39Å; I239-I529 HydrophobicContact CD1-CD1 4.46Å; P274-I529 CarbonylContact C-O 3.6Å; P274-I529 WeakPolarHBondContact CA-O 3.29Å; M275-I529 HydrophobicContact CB-CD1 4.4Å; M275-I529 HydrophobicContact CB-CG1 3.92Å; M275-I529 HydrophobicContact CE-CD1 3.77Å; M275-I529 PolarHBondContact N-O 3.31Å; M275-I529 PolarHBondContact O-N 3.35Å; V277-I529 HydrophobicContact CG2-CD1 3.93Å; V277-I529 HydrophobicContact CG2-CG1 3.95Å; V277-I529 HydrophobicContact CG2-CG2 4.12Å; V291-I529 HydrophobicContact CG1-CD1 4.45Å; Q527-I529 PolarHBondContact O-N 3.24Å; I529-L531 HydrophobicContact CD1-CD2 4.44Å
530R97.5Very high91.6Very high107 Ų10741 Ų4140%0.40419%0.192SC..EExtended strand (participates in β ladder)trans-128.7137.9173.7-58.5179.581.2142.22.7109.9R238 I239 S272 Q273R238-R530 CarbonylContact C-O 3.54Å; R238-R530 VanDerWaalsContact CA-O 3.29Å; R238-R530 WeakPolarHBondContact CA-O 3.45Å; R238-R530 HydrophobicContact CG-CB 3.86Å; I239-R530 PolarHBondContact N-O 3.01Å; S272-R530 PolarHBondContact OG-NE 3.02Å; S272-R530 PolarHBondContact OG-NH2 3.13Å; Q273-R530 CarbonylContact O-C 3.44Å; Q273-R530 WeakPolarHBondContact O-CA 3.25Å
531L98Very high88.7Confident3 Ų348.4 Ų48.42%0.01623%0.232CC..EExtended strand (participates in β ladder)trans-102.9148.5176-55.6-176.2000110.9F206 I239 I241 T254 S272 Q273 M275 I529 A533F206-L531 HydrophobicContact CE2-CD2 3.76Å; F206-L531 HydrophobicContact CZ-CD2 4.36Å; I239-L531 HydrophobicContact CB-CD2 3.92Å; I239-L531 HydrophobicContact CG2-CD2 4.46Å; I239-L531 CarbonylContact O-C 3.43Å; I239-L531 VanDerWaalsContact O-CA 3.24Å; I239-L531 WeakPolarHBondContact O-CA 3.38Å; I241-L531 HydrophobicContact CD1-CD1 4.25Å; I241-L531 HydrophobicContact CD1-CD2 4.38Å; T254-L531 HydrophobicContact CG2-CD1 3.81Å; S272-L531 WeakPolarHBondContact CA-O 3.46Å; Q273-L531 PolarHBondContact N-O 2.96Å; Q273-L531 PolarHBondContact O-N 3.45Å; M275-L531 HydrophobicContact CE-CD1 4.24Å; M275-L531 HydrophobicContact SD-CD1 3.84Å; I529-L531 HydrophobicContact CD1-CD2 4.44Å; L531-A533 HydrophobicContact CB-CB 4.19Å; L531-A533 PolarHBondContact O-N 3.11Å
532F97.9Very high85.8Confident3 Ų348.1 Ų48.11%0.01324%0.239CC..SBendtrans-73.172.4161.5-73.7-75.3000110.3P135 L138 R238 I239 H266 I267 D271P135-F532 HydrophobicContact CB-CE1 4.28Å; P135-F532 HydrophobicContact CB-CZ 4.02Å; P135-F532 HydrophobicContact CG-CE1 3.9Å; P135-F532 HydrophobicContact CG-CZ 4.06Å; L138-F532 HydrophobicContact CD2-CE2 4.16Å; L138-F532 HydrophobicContact CD2-CZ 4.25Å; R238-F532 HydrophobicContact CB-CD1 4.39Å; R238-F532 HydrophobicContact CB-CD2 3.69Å; R238-F532 HydrophobicContact CB-CE1 4.15Å; R238-F532 HydrophobicContact CB-CE2 3.4Å; R238-F532 VanDerWaalsContact CB-CE2 3.4Å; R238-F532 HydrophobicContact CB-CG 4.18Å; R238-F532 HydrophobicContact CB-CZ 3.65Å; I239-F532 PolarHBondContact O-N 3.21Å; H266-F532 WeakPolarHBondContact CB-O 3.49Å; I267-F532 HydrophobicContact CB-CB 4.17Å; I267-F532 HydrophobicContact CB-CG 4.26Å; I267-F532 HydrophobicContact CG1-CB 3.44Å; I267-F532 VanDerWaalsContact CG1-CB 3.44Å; I267-F532 HydrophobicContact CG1-CD2 4.15Å; I267-F532 HydrophobicContact CG1-CG 3.86Å; I267-F532 HydrophobicContact CG2-CD1 4.46Å; I267-F532 HydrophobicContact CG2-CD2 4.41Å; I267-F532 HydrophobicContact CG2-CG 4.32Å; D271-F532 WeakPolarHBondContact O-CA 3.29Å
533A95.6Very high82.7Confident1 Ų156 Ų561%0.00828%0.276CS..  trans-149.2157.8178.500000109.2Q255 S272 Q273 L531Q255-A533 HydrophobicContact CG-CB 4.04Å; S272-A533 CarbonylContact C-O 3.47Å; S272-A533 VanDerWaalsContact C-O 3.29Å; S272-A533 PolarHBondContact N-O 2.96Å; Q273-A533 HydrophobicContact CB-CB 4.13Å; Q273-A533 WeakPolarHBondContact CB-O 3.43Å; Q273-A533 PolarHBondContact N-O 3.46Å; L531-A533 HydrophobicContact CB-CB 4.19Å; L531-A533 PolarHBondContact O-N 3.11Å
534R92.8Very high79.6Confident45 Ų4561.2 Ų61.217%0.1731%0.308CS..  trans-99.9-13.2178.4-166.1169.9-73.6-173.5-2.5113.8E56 D271 S355 E537E56-R534 IonicContact OE1-NH1 3.86Å; E56-R534 PolarHBondContact OE1-NH1 3.15Å; D271-R534 HydrophobicContact CB-CB 4.34Å; D271-R534 VanDerWaalsContact CG-NE 3.31Å; D271-R534 IonicContact OD1-CZ 3.35Å; D271-R534 VanDerWaalsContact OD1-CZ 3.25Å; D271-R534 IonicContact OD1-NE 2.78Å; D271-R534 PolarHBondContact OD1-NE 2.7Å; D271-R534 IonicContact OD1-NH2 3.99Å; D271-R534 PolarHBondContact OD1-NH2 3.47Å; D271-R534 IonicContact OD2-CZ 3.22Å; D271-R534 IonicContact OD2-NE 3.62Å; D271-R534 PolarHBondContact OD2-NE 2.58Å; D271-R534 VanDerWaalsContact OD2-NE 3.09Å; D271-R534 IonicContact OD2-NH2 3.82Å; D271-R534 PolarHBondContact OD2-NH2 3.42Å; S355-R534 VanDerWaalsContact CA-O 3.27Å; S355-R534 WeakPolarHBondContact CA-O 3.37Å; S355-R534 WeakPolarHBondContact CB-O 3.49Å; S355-R534 WeakPolarHBondContact OG-CG 3.47Å; R534-E537 WeakPolarHBondContact CD-OE1 3.47Å; R534-E537 IonicContact NH1-OE1 3.05Å; R534-E537 PolarHBondContact NH1-OE1 3.48Å
535G93.1Very high76.3Confident4 Ų465 Ų654%0.04134%0.341CS..  trans86.1165.6-159.200000111.2T254 E537T254-G535 CarbonylContact O-C 3.58Å; T254-G535 WeakPolarHBondContact O-CA 3.34Å; T254-G535 PolarHBondContact O-N 3.08Å; G535-E537 PolarHBondContact O-N 3.04Å
536I92.3Very high73.2Confident14 Ų1473.2 Ų73.27%0.07239%0.392CS..  trans-72.1115.7-178.6-50.5-179.6000109.4T254 R354 S355T254-I536 PolarHBondContact O-N 3.17Å; R354-I536 WeakPolarHBondContact CA-O 3.44Å; R354-I536 WeakPolarHBondContact CB-O 3.49Å; R354-I536 WeakPolarHBondContact CD-O 3.44Å; S355-I536 PolarHBondContact N-O 3.19Å
537E90.1Very high72.1Confident39 Ų3974.9 Ų74.918%0.18240%0.399CS..  trans-70.1138.8174.8-65.3-178141.900110.4R96 H100 W102 R534 G535 Q539R96-E537 IonicContact CZ-OE1 3.56Å; R96-E537 IonicContact NE-OE1 3.45Å; R96-E537 PolarHBondContact NE-OE1 3.39Å; R96-E537 IonicContact NE-OE2 3.18Å; R96-E537 PolarHBondContact NE-OE2 3.12Å; R96-E537 IonicContact NH2-OE1 2.89Å; R96-E537 PolarHBondContact NH2-OE1 2.9Å; H100-E537 PolarHBondContact CE1-O 2.98Å; H100-E537 PolarHBondContact ND1-O 2.92Å; W102-E537 PolarHBondContact NE1-OE2 2.98Å; R534-E537 WeakPolarHBondContact CD-OE1 3.47Å; R534-E537 IonicContact NH1-OE1 3.05Å; R534-E537 PolarHBondContact NH1-OE1 3.48Å; G535-E537 PolarHBondContact O-N 3.04Å; E537-Q539 PolarHBondContact O-N 3.27Å
538E80.9Confident70.8Confident162 Ų16276.9 Ų76.976%0.75741%0.41SS*.  trans-60.7136.9167.9-72.9-176.5170.500109.3Q540E538-Q540 PolarHBondContact O-N 3.04Å
539Q65.8Low69.4Low125 Ų12581.1 Ų81.158%0.58443%0.433SS*.  trans-68104.8174.6-67.5-174.711.600107.3H100 E537 D541H100-Q539 PolarHBondContact NE2-NE2 3.06Å; E537-Q539 PolarHBondContact O-N 3.27Å; Q539-D541 PolarHBondContact O-N 3.08Å
540Q52.1Low67.7Low170 Ų17085.8 Ų85.879%0.79446%0.458SS*.  trans-58.1125.6157.4-69.1176.55.800105.5E538 A542E538-Q540 PolarHBondContact O-N 3.04Å; Q540-A542 VanDerWaalsContact C-N 3.33Å; Q540-A542 PolarHBondContact O-N 3.04Å
541D35.9Very low65.8Low162 Ų16284.4 Ų84.487%0.86646%0.461SS*.  trans-47.1106.3172.3-78.3-41.2000106.8Q539 E543Q539-D541 PolarHBondContact O-N 3.08Å; D541-E543 VanDerWaalsContact C-N 3.33Å; D541-E543 PolarHBondContact O-N 2.7Å
542A37.5Very low63.7Low50 Ų5089.9 Ų89.941%0.41349%0.491SS..  trans-60.7106.4179.300000104.6R98 Q540 V544R98-A542 HydrophobicContact CG-CB 4.33Å; Q540-A542 VanDerWaalsContact C-N 3.33Å; Q540-A542 PolarHBondContact O-N 3.04Å; A542-V544 PolarHBondContact O-N 3.03Å
543E33.4Very low61.3Low167 Ų16796.1 Ų96.178%0.7853%0.525SS*.  trans-42117.4169.2-88.3-176.215800106.3D541 A545D541-E543 VanDerWaalsContact C-N 3.33Å; D541-E543 PolarHBondContact O-N 2.7Å; E543-A545 PolarHBondContact O-N 3.45Å
544V30.5Very low58.6Low111 Ų111103.4 Ų103.467%0.67357%0.565SS**  trans-64.388.8179.1178.60000105.3A542 V546A542-V544 PolarHBondContact O-N 3.03Å; V544-V546 HydrophobicContact CG1-CG2 4.07Å; V544-V546 PolarHBondContact O-N 3.15Å
545A28.5Very low55.8Low100 Ų100108.3 Ų108.383%0.82660%0.598SS**  trans-67.695.8158.200000105.4E543E543-A545 PolarHBondContact O-N 3.45Å
546V29.2Very low52.4Low195 Ų195117.7 Ų117.7100%1.18265%0.648SS**  trans-51.30170.71750000110.7V544V544-V546 HydrophobicContact CG1-CG2 4.07Å; V544-V546 PolarHBondContact O-N 3.15Å

Retrieved 546 of 546 residues in 443.9 ms (Link to these results)

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