A0A087YMX7_POEFO Loading...

COBW domain containing

AlphaFold DB , UniProt , Accession A0A087YMX7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 368 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
1M38Very low41.3Very low231 Ų231165.9 Ų165.9100%1.13887%0.866SS**  068.40-70.9177142.500104.3
2E41.3Very low40.5Very low181 Ų181161.2 Ų161.285%0.84685%0.853SS**  76.280.695.1-75.2178.1-177.400108.6
3E41.9Very low40.3Very low195 Ų195161.1 Ų161.191%0.91185%0.85SS**  trans-93.6103.7158.8-72.4-175.4173.500105.1
4E44.1Very low39.5Very low180 Ų180160 Ų16084%0.84185%0.845SS**  trans-65.6129.2174.4-72.9177.3145.600109.3D6E4-D6 PolarHBondContact O-N 3.13Å; E4-D6 VanDerWaalsContact O-N 3.13Å
5D46.2Very low39Very low166 Ų166156.6 Ų156.689%0.88884%0.84SS**  trans-72.294.6174.5-137.8-9.5000107.7C7D5-C7 PolarHBondContact O-N 3.09Å; D5-C7 VanDerWaalsContact O-N 3.09Å
6D45.6Very low38.5Very low157 Ų157157.5 Ų157.584%0.8484%0.837SS**  trans-71.9101.1178.8-125.5-9.3000108.9E4E4-D6 PolarHBondContact O-N 3.13Å; E4-D6 VanDerWaalsContact O-N 3.13Å
7C42.6Very low38Very low112 Ų112155.7 Ų155.776%0.75784%0.836SS**PPolyproline II helixtrans-55.9131.4171.3-82.60000109.9D5 E9D5-C7 PolarHBondContact O-N 3.09Å; D5-C7 VanDerWaalsContact O-N 3.09Å; C7-E9 PolarHBondContact O-N 3.28Å
8P42.9Very low37.5Very low120 Ų120150.8 Ų150.878%0.77983%0.829SS**PPolyproline II helixtrans-65.1127.717725.8-31.7000110.4L10P8-L10 PolarHBondContact O-N 3.13Å
9E36.9Very low37.1Very low189 Ų189151.6 Ų151.688%0.88383%0.831SS**PPolyproline II helixtrans-56.5122.9172.5-84.4-175147.600110.1C7 V11C7-E9 PolarHBondContact O-N 3.28Å; E9-V11 PolarHBondContact O-N 3.25Å; E9-V11 VanDerWaalsContact O-N 3.13Å
10L38.2Very low37.2Very low169 Ų169149.7 Ų149.789%0.88583%0.826SS**  trans-63.8112.4172.5-71.9164.8000108.5P8 P12P8-L10 PolarHBondContact O-N 3.13Å; L10-P12 WeakPolarHBondContact O-CD 3.44Å
11V36.1Very low37.5Very low125 Ų125146.9 Ų146.976%0.75882%0.822SS**  trans-55.5121.5170.3-173.50000107.8E9 I13E9-V11 PolarHBondContact O-N 3.25Å; E9-V11 VanDerWaalsContact O-N 3.13Å; V11-I13 PolarHBondContact O-N 2.77Å; V11-I13 VanDerWaalsContact O-N 3.08Å
12P32.6Very low38.9Very low109 Ų109146.7 Ų146.771%0.70881%0.809SS**  trans-62.3118.3173.123.9-29.7000107.6L10 D14L10-P12 WeakPolarHBondContact O-CD 3.44Å; P12-D14 PolarHBondContact O-N 3.08Å; P12-D14 VanDerWaalsContact O-N 3.08Å
13I37.1Very low40.7Very low160 Ų160141.8 Ų141.882%0.82179%0.786SS**  trans-63.4112.2166.2-62.6168000104.5V11 S15V11-I13 PolarHBondContact O-N 2.77Å; V11-I13 VanDerWaalsContact O-N 3.08Å; I13-S15 VanDerWaalsContact C-N 3.31Å; I13-S15 PolarHBondContact O-N 2.89Å
14D29.8Very low42.7Very low146 Ų146133.2 Ų133.278%0.78175%0.747SS**  trans-51.3103.5166.1-81.5-36.1000106.8P12 Q16P12-D14 PolarHBondContact O-N 3.08Å; P12-D14 VanDerWaalsContact O-N 3.08Å; D14-Q16 PolarHBondContact O-N 3.08Å
15S31.7Very low44.7Very low109 Ų109125.1 Ų125.176%0.76271%0.71SS**  trans-60.397.916748.10000105.2I13I13-S15 VanDerWaalsContact C-N 3.31Å; I13-S15 PolarHBondContact O-N 2.89Å
16Q31.2Very low46.6Very low171 Ų171117.2 Ų117.280%0.79967%0.667SS**  trans-45.1129167.3-69.6-173.1-19.100106.6D14 G18D14-Q16 PolarHBondContact O-N 3.08Å; Q16-G18 PolarHBondContact O-N 2.81Å
17P30.5Very low48.6Very low127 Ų127109.8 Ų109.883%0.82563%0.627SS**  trans-53.3116.7-17920.2-29.8000107.1L19P17-L19 PolarHBondContact O-N 2.81Å
18G28.4Very low50.8Low68 Ų68104.4 Ų104.470%0.70159%0.591SS**  trans-50.7133.2-174.400000109.4Q16Q16-G18 PolarHBondContact O-N 2.81Å
19L30.7Very low53Low165 Ų16598.7 Ų98.786%0.86455%0.554SS**  trans-45135.2162.3-77.8123.4000107.6P17 A21P17-L19 PolarHBondContact O-N 2.81Å; L19-A21 PolarHBondContact O-N 3.44Å
20P37.5Very low55.6Low113 Ų11389.7 Ų89.773%0.73451%0.512SS*.  trans-50.4136.317722.8-32.3000107.9R22P20-R22 PolarHBondContact O-N 2.82Å
21A44.5Very low57.9Low91 Ų9181.7 Ų81.775%0.75247%0.47SS*.  trans-41.5111.1-177.500000108.8L19 Q23L19-A21 PolarHBondContact O-N 3.44Å; A21-Q23 PolarHBondContact O-N 2.96Å
22R67.1Low60.2Low228 Ų22877.6 Ų77.686%0.8644%0.441SS*.  trans-7299.1-166.5-173.5175.3175.1158.6-0.6107.4P20P20-R22 PolarHBondContact O-N 2.82Å
23Q79.1Confident62.6Low78 Ų7877.4 Ų77.436%0.36443%0.434SS..PPolyproline II helixtrans-55.6140.1175.1-64.3-177.7-36.300109.2A21 P25 G139 S140 D141 Y143A21-Q23 PolarHBondContact O-N 2.96Å; Q23-P25 WeakPolarHBondContact O-CD 3.3Å; Q23-G139 PolarHBondContact NE2-O 3.11Å; Q23-S140 PolarHBondContact NE2-O 3.12Å; Q23-D141 WeakPolarHBondContact CA-O 3.19Å; Q23-Y143 HydrophobicContact CB-CD1 3.64Å; Q23-Y143 HydrophobicContact CB-CE1 4.39Å; Q23-Y143 HydrophobicContact CB-CG 4.5Å
24I83.1Confident64.7Low15 Ų1572.4 Ų72.48%0.07742%0.421CS..EExtended strand (participates in β ladder)trans-86.2122.7-178.8-55.6179.7000108.5M106 K109 F112 I115 D141 V142 Y143I24-M106 HydrophobicContact CD1-CE 3.81Å; I24-M106 HydrophobicContact CD1-SD 4.12Å; I24-M106 HydrophobicContact CG1-CE 4.36Å; I24-K109 HydrophobicContact CD1-CG 4.34Å; I24-F112 HydrophobicContact CD1-CD2 3.97Å; I24-F112 HydrophobicContact CD1-CE2 3.4Å; I24-F112 HydrophobicContact CD1-CZ 4.05Å; I24-F112 HydrophobicContact CG2-CD2 4.12Å; I24-F112 HydrophobicContact CG2-CE2 4.06Å; I24-I115 HydrophobicContact CG2-CD1 4.08Å; I24-I115 HydrophobicContact CG2-CG1 3.93Å; I24-D141 PolarHBondContact N-O 2.69Å; I24-V142 HydrophobicContact CB-CG1 4.3Å; I24-V142 VanDerWaalsContact O-CA 3.31Å; I24-V142 WeakPolarHBondContact O-CA 3.44Å; I24-Y143 PolarHBondContact O-N 3.45Å
25P87.2Confident67.4Low10 Ų1065.4 Ų65.47%0.06538%0.384CS..EExtended strand (participates in β ladder)trans-65.7137.317622.9-32000111.8Q23 D113 Y114 I115 Y143 D145Q23-P25 WeakPolarHBondContact O-CD 3.3Å; P25-D113 WeakPolarHBondContact CD-O 3.45Å; P25-Y114 HydrophobicContact CB-CD2 4.04Å; P25-Y114 HydrophobicContact CB-CE2 3.73Å; P25-Y114 HydrophobicContact CG-CD2 3.31Å; P25-Y114 HydrophobicContact CG-CE2 3.48Å; P25-Y114 VanDerWaalsContact CG-CE2 3.48Å; P25-Y114 HydrophobicContact CG-CG 4.08Å; P25-I115 PolarHBondContact O-N 3.3Å; P25-Y143 VanDerWaalsContact CA-CE1 3.49Å; P25-Y143 HydrophobicContact CB-CD1 4.44Å; P25-Y143 HydrophobicContact CB-CE1 3.66Å; P25-Y143 HydrophobicContact CB-CE2 4.34Å; P25-Y143 HydrophobicContact CG-CE1 4.25Å; P25-D145 HydrophobicContact CB-CB 3.94Å
26V85.9Confident69.9Low0 Ų060.8 Ų60.80%035%0.354CS..EExtended strand (participates in β ladder)trans-117.4119.1173.7-174.40000109.7I115 L117 F132 V142 Y143 D145V26-I115 WeakPolarHBondContact CA-O 3.41Å; V26-I115 HydrophobicContact CB-CB 4.45Å; V26-I115 HydrophobicContact CG1-CB 4.34Å; V26-I115 HydrophobicContact CG1-CG2 4.08Å; V26-I115 HydrophobicContact CG2-CB 4Å; V26-I115 HydrophobicContact CG2-CD1 4.06Å; V26-I115 HydrophobicContact CG2-CG2 4.37Å; V26-L117 HydrophobicContact CG1-CB 4.32Å; V26-F132 HydrophobicContact CB-CE1 4.24Å; V26-F132 HydrophobicContact CB-CZ 4.16Å; V26-F132 HydrophobicContact CG1-CE1 4.3Å; V26-F132 HydrophobicContact CG1-CZ 3.79Å; V26-F132 HydrophobicContact CG2-CE1 3.91Å; V26-F132 HydrophobicContact CG2-CZ 4.25Å; V26-V142 HydrophobicContact CG2-CB 3.88Å; V26-V142 HydrophobicContact CG2-CG1 4.32Å; V26-V142 HydrophobicContact CG2-CG2 4.43Å; V26-Y143 PolarHBondContact N-O 2.91Å; V26-D145 WeakPolarHBondContact O-CB 3.47Å; V26-D145 PolarHBondContact O-N 3.27Å
27T88Confident72.6Confident0 Ų053.4 Ų53.40%032%0.319CS..EExtended strand (participates in β ladder)trans-103.5132.2170.4-58.30000110.4Y114 I115 L116 L117 D145 V148T27-Y114 WeakPolarHBondContact OG1-CE1 3.32Å; T27-Y114 PolarHBondContact OG1-OH 3.32Å; T27-I115 PolarHBondContact N-O 3.21Å; T27-L116 HydrophobicContact CG2-CD1 4.18Å; T27-L117 PolarHBondContact O-N 2.92Å; T27-D145 PolarHBondContact OG1-OD2 2.82Å; T27-D145 VanDerWaalsContact OG1-OD2 3.04Å; T27-V148 HydrophobicContact CG2-CB 4.41Å; T27-V148 HydrophobicContact CG2-CG2 3.56Å
28I88.7Confident75Confident0 Ų049.2 Ų49.20%029%0.291CS..EExtended strand (participates in β ladder)trans-94119.5175.4-56.9178.2000108.5L117 T119 P125 V128 A129 F132 L144 G146 I147 V148I28-L117 CarbonylContact C-O 3.56Å; I28-L117 WeakPolarHBondContact CA-O 3.39Å; I28-L117 HydrophobicContact CG1-CD2 4.29Å; I28-T119 HydrophobicContact CG2-CG2 3.69Å; I28-P125 HydrophobicContact CG2-CB 4.42Å; I28-V128 HydrophobicContact CD1-CB 4.13Å; I28-V128 HydrophobicContact CD1-CG1 3.69Å; I28-V128 HydrophobicContact CG1-CG1 4.42Å; I28-A129 HydrophobicContact CD1-CB 4.44Å; I28-F132 HydrophobicContact CD1-CE2 4.37Å; I28-L144 HydrophobicContact CD1-CD1 3.59Å; I28-L144 HydrophobicContact CG1-CD1 3.73Å; I28-G146 PolarHBondContact N-O 3.46Å; I28-I147 HydrophobicContact CB-CG1 4.38Å; I28-I147 HydrophobicContact CD1-CG1 4.37Å; I28-V148 PolarHBondContact O-N 3.26Å
29I89.4Confident77.6Confident0 Ų049.3 Ų49.30%028%0.278CS..EExtended strand (participates in β ladder)trans-95.3123168.8-64177.9000108.7K37 L40 L41 I44 L116 L117 T119 V148 V150I29-K37 HydrophobicContact CG2-CB 4.28Å; I29-K37 HydrophobicContact CG2-CD 4.32Å; I29-K37 HydrophobicContact CG2-CG 4.18Å; I29-L40 HydrophobicContact CD1-CD2 4.17Å; I29-L40 HydrophobicContact CG2-CD2 4.44Å; I29-L41 HydrophobicContact CD1-CD2 3.69Å; I29-L41 HydrophobicContact CD1-CG 4.38Å; I29-I44 HydrophobicContact CD1-CD1 3.87Å; I29-L116 HydrophobicContact CD1-CD1 3.54Å; I29-L116 HydrophobicContact CD1-CD2 3.74Å; I29-L116 HydrophobicContact CD1-CG 3.75Å; I29-L116 HydrophobicContact CG1-CD1 3.79Å; I29-L116 HydrophobicContact CG1-CG 4.31Å; I29-L117 PolarHBondContact N-O 2.78Å; I29-T119 PolarHBondContact O-N 2.55Å; I29-T119 PolarHBondContact O-OG1 3.27Å; I29-V148 WeakPolarHBondContact CA-O 3.31Å; I29-V148 HydrophobicContact CG1-CB 4.4Å; I29-V150 HydrophobicContact CG2-CG2 4.22Å
30T90.1Very high80.1Confident0 Ų041.4 Ų41.40%024%0.237CC..EExtended strand (participates in β ladder)trans-133.6174.7177.1-162.30000110.7T119 P125 I147 V148 T149 V150 Q175T30-T119 WeakPolarHBondContact CA-OG1 3.48Å; T30-T119 WeakPolarHBondContact CB-OG1 3.26Å; T30-T119 PolarHBondContact OG1-OG1 2.87Å; T30-P125 HydrophobicContact CG2-CB 4.25Å; T30-P125 HydrophobicContact CG2-CG 4.17Å; T30-I147 HydrophobicContact CG2-CG2 3.98Å; T30-V148 PolarHBondContact N-O 2.99Å; T30-T149 HydrophobicContact CG2-CG2 4.25Å; T30-T149 WeakPolarHBondContact CG2-OG1 3.39Å; T30-T149 CarbonylContact O-C 3.47Å; T30-T149 WeakPolarHBondContact O-CA 3.35Å; T30-V150 PolarHBondContact O-N 3.13Å; T30-Q175 HydrophobicContact CG2-CB 4.15Å; T30-Q175 HydrophobicContact CG2-CG 4.17Å
31G86.9Confident82.2Confident0 Ų036.3 Ų36.30%020%0.203CC..  trans141.3151.4-177.200000112.1K37 G121 V150G31-K37 WeakPolarHBondContact O-CD 3.38Å; G31-K37 WeakPolarHBondContact O-CE 3.45Å; G31-K37 PolarHBondContact O-NZ 3.12Å; G31-G121 VanDerWaalsContact O-CA 3.23Å; G31-G121 WeakPolarHBondContact O-CA 3.38Å; G31-V150 VanDerWaalsContact CA-O 3.25Å; G31-V150 WeakPolarHBondContact CA-O 3.36Å
32Y84.3Confident83.7Confident39 Ų3934 Ų3415%0.15318%0.179CC..  trans-62.1165.3-173-148.8-106.3000113.2G34 A35 K37 L122 Q159 A172Y32-G34 PolarHBondContact O-N 3.35Å; Y32-A35 WeakPolarHBondContact O-CB 3.27Å; Y32-A35 PolarHBondContact O-N 2.98Å; Y32-K37 PolarHBondContact O-NZ 3.32Å; Y32-L122 HydrophobicContact CD2-CD2 4.41Å; Y32-L122 HydrophobicContact CE2-CD2 3.68Å; Y32-Q159 HydrophobicContact CD1-CB 4.41Å; Y32-Q159 HydrophobicContact CD1-CG 3.7Å; Y32-Q159 VanDerWaalsContact CD1-NE2 3.29Å; Y32-Q159 HydrophobicContact CE1-CG 3.84Å; Y32-Q159 HydrophobicContact CG-CG 4.33Å; Y32-A172 HydrophobicContact CD2-CB 3.99Å; Y32-A172 HydrophobicContact CE2-CB 4.5Å
33L82.9Confident84.3Confident106 Ų10625.3 Ų25.356%0.55515%0.146SC*.THydrogen-bonded Turntrans-58.1132.4-179.1-7785.3000110.6A35 L122L33-A35 VanDerWaalsContact C-N 3.32Å; L33-A35 PolarHBondContact O-N 3.32Å; L33-L122 HydrophobicContact CD1-CD1 4.39Å; L33-L122 HydrophobicContact CD1-CD2 4.06Å; L33-L122 HydrophobicContact CD1-CG 3.77Å
34G81.8Confident84.2Confident54 Ų5421.6 Ų21.656%0.55713%0.128SC*.THydrogen-bonded Turntrans79.21.617900000115.9Y32 G36 K186Y32-G34 PolarHBondContact O-N 3.35Å; G34-G36 PolarHBondContact O-N 3.05Å; G34-G36 VanDerWaalsContact O-N 3.15Å; G34-K186 WeakPolarHBondContact O-CE 3.29Å; G34-K186 PolarHBondContact O-NZ 2.82Å
35A86.9Confident83.7Confident0 Ų023.8 Ų23.80%014%0.14CC..SBendtrans-64.1-17.2178.600000114.6Y32 L33 V150 N185Y32-A35 WeakPolarHBondContact O-CB 3.27Å; Y32-A35 PolarHBondContact O-N 2.98Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-A35 PolarHBondContact O-N 3.32Å; A35-V150 HydrophobicContact CB-CB 4.24Å; A35-V150 HydrophobicContact CB-CG1 4.04Å; A35-V150 VanDerWaalsContact CB-O 3.28Å; A35-V150 WeakPolarHBondContact CB-O 3.39Å; A35-V150 WeakPolarHBondContact O-CG1 3.4Å; A35-N185 PolarHBondContact O-ND2 2.79Å
36G84.9Confident82.9Confident12 Ų1228 Ų2812%0.12417%0.166CC..SBendtrans99.927.9-179.600000114.3G34 T39 L40 S217G34-G36 PolarHBondContact O-N 3.05Å; G34-G36 VanDerWaalsContact O-N 3.15Å; G36-T39 WeakPolarHBondContact O-CB 3.2Å; G36-T39 PolarHBondContact O-N 3.06Å; G36-L40 PolarHBondContact O-N 3.38Å; G36-S217 PolarHBondContact O-OG 2.95Å
37K87Confident82.3Confident16 Ų1632.5 Ų32.57%0.0719%0.187CC..Hα-helixtrans-55.9-51.8174.2-63.2-171.5-59.6-68.60112.2I29 G31 Y32 T39 L40 L41 E118 T119 V150I29-K37 HydrophobicContact CG2-CB 4.28Å; I29-K37 HydrophobicContact CG2-CD 4.32Å; I29-K37 HydrophobicContact CG2-CG 4.18Å; G31-K37 WeakPolarHBondContact O-CD 3.38Å; G31-K37 WeakPolarHBondContact O-CE 3.45Å; G31-K37 PolarHBondContact O-NZ 3.12Å; Y32-K37 PolarHBondContact O-NZ 3.32Å; K37-T39 PolarHBondContact O-N 2.96Å; K37-L40 WeakPolarHBondContact O-CA 3.36Å; K37-L40 WeakPolarHBondContact O-CB 3.35Å; K37-L40 PolarHBondContact O-N 3.27Å; K37-L41 WeakPolarHBondContact O-CG 3.31Å; K37-L41 PolarHBondContact O-N 2.64Å; K37-E118 WeakPolarHBondContact CB-OE1 3.45Å; K37-E118 VanDerWaalsContact CE-OE1 3.29Å; K37-E118 WeakPolarHBondContact CE-OE1 3.36Å; K37-T119 WeakPolarHBondContact CE-O 3.37Å; K37-V150 HydrophobicContact CG-CB 4.28Å; K37-V150 HydrophobicContact CG-CG2 4.29Å
38T80.1Confident81.3Confident39 Ų3941.1 Ų41.124%0.23923%0.227CC..Hα-helixtrans-57.9-35.7175.9-34.80000112.4L41 N42 E67T38-L41 PolarHBondContact O-N 3.05Å; T38-N42 WeakPolarHBondContact O-CB 3.4Å; T38-N42 PolarHBondContact O-N 2.69Å; T38-N42 PolarHBondContact O-ND2 3.42Å; T38-E67 PolarHBondContact OG1-OE2 3.27Å
39T82.9Confident80.3Confident69 Ų6943 Ų4342%0.42324%0.236SC..Hα-helixtrans-67.9-42.1175.5-50.60000111.6G36 K37 Y43G36-T39 WeakPolarHBondContact O-CB 3.2Å; G36-T39 PolarHBondContact O-N 3.06Å; K37-T39 PolarHBondContact O-N 2.96Å; T39-Y43 WeakPolarHBondContact O-CB 3.5Å; T39-Y43 PolarHBondContact O-N 3.21Å
40L83.7Confident79.4Confident0 Ų051 Ų510%028%0.278CS..Hα-helixtrans-63.2-43174-179.363.2000111.4I29 G36 K37 Y43 I44 V150 I183 V219I29-L40 HydrophobicContact CD1-CD2 4.17Å; I29-L40 HydrophobicContact CG2-CD2 4.44Å; G36-L40 PolarHBondContact O-N 3.38Å; K37-L40 WeakPolarHBondContact O-CA 3.36Å; K37-L40 WeakPolarHBondContact O-CB 3.35Å; K37-L40 PolarHBondContact O-N 3.27Å; L40-Y43 PolarHBondContact O-N 3.1Å; L40-I44 HydrophobicContact CD1-CD1 4.24Å; L40-I44 HydrophobicContact CD1-CG1 4.4Å; L40-I44 HydrophobicContact CG-CD1 3.93Å; L40-I44 VanDerWaalsContact O-CG1 3.26Å; L40-I44 WeakPolarHBondContact O-CG1 3.43Å; L40-I44 PolarHBondContact O-N 3.33Å; L40-V150 HydrophobicContact CD2-CG2 3.6Å; L40-I183 HydrophobicContact CD1-CD1 4.35Å; L40-I183 HydrophobicContact CD2-CD1 3.73Å; L40-V219 HydrophobicContact CD1-CG2 3.78Å
41L81.8Confident78.3Confident5 Ų553.5 Ų53.53%0.02629%0.289CS..Hα-helixtrans-60.1-49.5176.4-72.5171.7000112I29 K37 T38 Y43 I44 L45 V55 L57 L116 E118I29-L41 HydrophobicContact CD1-CD2 3.69Å; I29-L41 HydrophobicContact CD1-CG 4.38Å; K37-L41 WeakPolarHBondContact O-CG 3.31Å; K37-L41 PolarHBondContact O-N 2.64Å; T38-L41 PolarHBondContact O-N 3.05Å; L41-Y43 VanDerWaalsContact C-N 3.27Å; L41-Y43 PolarHBondContact O-N 3.33Å; L41-I44 PolarHBondContact O-N 2.84Å; L41-L45 WeakPolarHBondContact O-CB 3.2Å; L41-L45 WeakPolarHBondContact O-CG 3.46Å; L41-L45 PolarHBondContact O-N 2.92Å; L41-V55 HydrophobicContact CD2-CG1 4.22Å; L41-L57 HydrophobicContact CD1-CD2 3.83Å; L41-L116 HydrophobicContact CD2-CD2 3.32Å; L41-L116 HydrophobicContact CD2-CG 3.88Å; L41-E118 HydrophobicContact CD1-CB 3.92Å; L41-E118 VanDerWaalsContact CD1-CD 3.44Å; L41-E118 HydrophobicContact CD1-CG 4.02Å; L41-E118 WeakPolarHBondContact CD1-OE2 3.38Å
42N76.3Confident77.5Confident44 Ų4459.2 Ų59.224%0.23531%0.311CS..Hα-helixtrans-62.2-37.7177.3-74.9-24.4000111.7T38 L45 T46T38-N42 WeakPolarHBondContact O-CB 3.4Å; T38-N42 PolarHBondContact O-N 2.69Å; T38-N42 PolarHBondContact O-ND2 3.42Å; N42-L45 PolarHBondContact O-N 3.31Å; N42-T46 WeakPolarHBondContact O-CB 3.42Å; N42-T46 VanDerWaalsContact O-CG2 3.27Å; N42-T46 WeakPolarHBondContact O-CG2 3.35Å; N42-T46 PolarHBondContact O-N 2.73Å; N42-T46 PolarHBondContact O-OG1 3.33Å
43Y79.5Confident77.1Confident44 Ų4458.7 Ų58.717%0.17331%0.31CS..Hα-helixtrans-63.9-47.7175.1176.1-106.3000111.5T39 L40 L41 L45 T46 E47 S217 R218 V219 L221T39-Y43 WeakPolarHBondContact O-CB 3.5Å; T39-Y43 PolarHBondContact O-N 3.21Å; L40-Y43 PolarHBondContact O-N 3.1Å; L41-Y43 VanDerWaalsContact C-N 3.27Å; L41-Y43 PolarHBondContact O-N 3.33Å; Y43-L45 VanDerWaalsContact C-N 3.31Å; Y43-L45 PolarHBondContact O-N 3.36Å; Y43-T46 PolarHBondContact O-N 3.04Å; Y43-T46 PolarHBondContact O-OG1 3.13Å; Y43-E47 HydrophobicContact CE2-CB 4.49Å; Y43-E47 HydrophobicContact CE2-CG 4.41Å; Y43-E47 WeakPolarHBondContact O-CB 3.31Å; Y43-E47 PolarHBondContact O-N 3.24Å; Y43-E47 VanDerWaalsContact O-N 3.12Å; Y43-S217 WeakPolarHBondContact CD1-O 3.41Å; Y43-R218 HydrophobicContact CD2-CG 4.29Å; Y43-R218 HydrophobicContact CE2-CB 4.44Å; Y43-R218 HydrophobicContact CE2-CG 4.01Å; Y43-V219 HydrophobicContact CD1-CG2 4.18Å; Y43-V219 HydrophobicContact CE1-CG2 3.87Å; Y43-V219 WeakPolarHBondContact CE1-O 3.47Å; Y43-V219 PolarHBondContact OH-O 2.83Å; Y43-L221 HydrophobicContact CD1-CD2 4.09Å; Y43-L221 HydrophobicContact CE1-CD2 3.83Å; Y43-L221 HydrophobicContact CE1-CG 4.25Å
44I77.6Confident76.8Confident0 Ų054.3 Ų54.30%029%0.289CS..Hα-helixtrans-55.9-48.3174.9-67.1163.5000109.9I29 L40 L41 T46 H49 I53 L116 L221 V224I29-I44 HydrophobicContact CD1-CD1 3.87Å; L40-I44 HydrophobicContact CD1-CD1 4.24Å; L40-I44 HydrophobicContact CD1-CG1 4.4Å; L40-I44 HydrophobicContact CG-CD1 3.93Å; L40-I44 VanDerWaalsContact O-CG1 3.26Å; L40-I44 WeakPolarHBondContact O-CG1 3.43Å; L40-I44 PolarHBondContact O-N 3.33Å; L41-I44 PolarHBondContact O-N 2.84Å; I44-T46 VanDerWaalsContact C-N 3.31Å; I44-T46 PolarHBondContact O-N 2.82Å; I44-H49 PolarHBondContact O-CD2 3.22Å; I44-H49 PolarHBondContact O-NE2 2.87Å; I44-I53 HydrophobicContact CG2-CD1 3.59Å; I44-L116 HydrophobicContact CD1-CD2 3.81Å; I44-L116 HydrophobicContact CG2-CD2 4.19Å; I44-L221 HydrophobicContact CB-CD2 4.32Å; I44-L221 HydrophobicContact CG1-CD2 3.6Å; I44-V224 HydrophobicContact CD1-CG1 4.43Å
45L71.6Confident76.5Confident62 Ų6254 Ų5433%0.32528%0.277SS..Hα-helixtrans-70.3-20-176.2-71.6174.9000115.4L41 N42 Y43 V55L41-L45 WeakPolarHBondContact O-CB 3.2Å; L41-L45 WeakPolarHBondContact O-CG 3.46Å; L41-L45 PolarHBondContact O-N 2.92Å; N42-L45 PolarHBondContact O-N 3.31Å; Y43-L45 VanDerWaalsContact C-N 3.31Å; Y43-L45 PolarHBondContact O-N 3.36Å; L45-V55 HydrophobicContact CD1-CG2 4.15Å; L45-V55 HydrophobicContact CD2-CG2 3.71Å; L45-V55 HydrophobicContact CG-CG2 4.22Å
46T71.1Confident76.1Confident98 Ų9854.9 Ų54.960%0.60128%0.281SS*.Hα-helixtrans-100.1-24.4-176.349.30000113.4N42 Y43 I44N42-T46 WeakPolarHBondContact O-CB 3.42Å; N42-T46 VanDerWaalsContact O-CG2 3.27Å; N42-T46 WeakPolarHBondContact O-CG2 3.35Å; N42-T46 PolarHBondContact O-N 2.73Å; N42-T46 PolarHBondContact O-OG1 3.33Å; Y43-T46 PolarHBondContact O-N 3.04Å; Y43-T46 PolarHBondContact O-OG1 3.13Å; I44-T46 VanDerWaalsContact C-N 3.31Å; I44-T46 PolarHBondContact O-N 2.82Å
47E72.9Confident75.5Confident95 Ų9559 Ų5944%0.44430%0.3SS..SBendtrans-83.3155.6-177.7-160.764.5-132.400111.5Y43 H49 L221Y43-E47 HydrophobicContact CE2-CB 4.49Å; Y43-E47 HydrophobicContact CE2-CG 4.41Å; Y43-E47 WeakPolarHBondContact O-CB 3.31Å; Y43-E47 PolarHBondContact O-N 3.24Å; Y43-E47 VanDerWaalsContact O-N 3.12Å; E47-H49 PolarHBondContact O-CD2 3.41Å; E47-H49 PolarHBondContact O-N 3.42Å; E47-L221 HydrophobicContact CB-CD1 3.73Å; E47-L221 HydrophobicContact CG-CD1 4.06Å
48Q66.5Low74.4Confident180 Ų18059.5 Ų59.584%0.84130%0.303SS*.  trans-84104.4-179.5-68.4-173.3-2.700111.5
49H68.3Low73.1Confident40 Ų4062.3 Ų62.319%0.18531%0.314CS..  trans-118.811178.450.670000113.9I44 E47 K51 I53 L221 L225I44-H49 PolarHBondContact O-CD2 3.22Å; I44-H49 PolarHBondContact O-NE2 2.87Å; E47-H49 PolarHBondContact O-CD2 3.41Å; E47-H49 PolarHBondContact O-N 3.42Å; H49-K51 PolarHBondContact CE1-O 2.71Å; H49-K51 PolarHBondContact ND1-O 3.26Å; H49-K51 WeakPolarHBondContact O-CG 3.39Å; H49-K51 PolarHBondContact O-N 2.82Å; H49-I53 WeakPolarHBondContact CE1-CD1 3.5Å; H49-L221 HydrophobicContact CB-CB 4.48Å; H49-L221 HydrophobicContact CB-CD1 3.74Å; H49-L225 HydrophobicContact CB-CD1 4.45Å
50N69.9Low71.3Confident167 Ų16764.4 Ų64.489%0.89332%0.317SS*.SBendtrans5023.5177.1-69.5-27.8000115.5
51K66.9Low68.8Low54 Ų5466.5 Ų66.524%0.23534%0.339CS..SBendtrans-124.1146.8178.4-68-179.8-173.3176.50109.9H49 I53 Y114 D226H49-K51 PolarHBondContact CE1-O 2.71Å; H49-K51 PolarHBondContact ND1-O 3.26Å; H49-K51 WeakPolarHBondContact O-CG 3.39Å; H49-K51 PolarHBondContact O-N 2.82Å; K51-I53 HydrophobicContact CB-CG1 4.24Å; K51-Y114 HydrophobicContact CD-CD2 4.06Å; K51-D226 WeakPolarHBondContact CE-OD2 3.27Å; K51-D226 IonicContact NZ-OD1 3.6Å; K51-D226 PolarHBondContact NZ-OD1 2.85Å; K51-D226 IonicContact NZ-OD2 2.75Å; K51-D226 PolarHBondContact NZ-OD2 2.95Å
52R70.1Confident66.5Low119 Ų11976.4 Ų76.445%0.44939%0.385SS..  trans-92.9105.1171.9-62174.5-62.6161.63.8107.9G110 K111 F112 D113 Y114R52-G110 PolarHBondContact NH1-O 3.07Å; R52-G110 PolarHBondContact NH2-O 3.17Å; R52-K111 VanDerWaalsContact CD-O 3.3Å; R52-K111 WeakPolarHBondContact CD-O 3.46Å; R52-K111 PolarHBondContact NE-O 2.7Å; R52-K111 PolarHBondContact NH1-O 2.88Å; R52-F112 HydrophobicContact CB-CB 4.46Å; R52-F112 CarbonylContact O-C 3.42Å; R52-F112 WeakPolarHBondContact O-CA 3.26Å; R52-F112 WeakPolarHBondContact O-CB 3.32Å; R52-D113 IonicContact CZ-OD1 2.77Å; R52-D113 IonicContact CZ-OD2 3.83Å; R52-D113 IonicContact NE-OD1 3.74Å; R52-D113 IonicContact NE-OD2 2.82Å; R52-D113 PolarHBondContact NE-OD2 2.75Å; R52-D113 IonicContact NH2-OD1 2.98Å; R52-D113 PolarHBondContact NH2-OD1 2.83Å; R52-D113 IonicContact NH2-OD2 2.64Å; R52-D113 PolarHBondContact NH2-OD2 3.34Å; R52-D113 PolarHBondContact O-N 3.45Å; R52-Y114 PolarHBondContact O-N 2.59Å
53I76.8Confident64.6Low28 Ų2877.1 Ų77.114%0.14440%0.403CS..EExtended strand (participates in β ladder)trans-99.9127.5-174.4-55.1-179.3000109.6I44 H49 K51 V55 Y114 L116 L225I44-I53 HydrophobicContact CG2-CD1 3.59Å; H49-I53 WeakPolarHBondContact CE1-CD1 3.5Å; K51-I53 HydrophobicContact CB-CG1 4.24Å; I53-V55 HydrophobicContact CG2-CG2 4.14Å; I53-Y114 CarbonylContact C-O 3.57Å; I53-Y114 WeakPolarHBondContact CA-O 3.2Å; I53-Y114 HydrophobicContact CG2-CD1 4.34Å; I53-L116 HydrophobicContact CG2-CB 3.89Å; I53-L225 HydrophobicContact CD1-CD1 4.01Å
54A76.3Confident62.7Low14 Ų1477 Ų7712%0.11641%0.409CS..EExtended strand (participates in β ladder)trans-91.7130.6165.600000109.2L105 F112 Y114 I115 L116A54-L105 HydrophobicContact CB-CD1 4.46Å; A54-L105 HydrophobicContact CB-CD2 4.32Å; A54-F112 HydrophobicContact CB-CB 4.1Å; A54-F112 HydrophobicContact CB-CD1 4.27Å; A54-F112 HydrophobicContact CB-CD2 4.02Å; A54-F112 HydrophobicContact CB-CG 3.86Å; A54-Y114 PolarHBondContact N-O 3.15Å; A54-I115 HydrophobicContact CB-CG1 4.38Å; A54-I115 CarbonylContact O-C 3.57Å; A54-I115 WeakPolarHBondContact O-CA 3.45Å; A54-L116 PolarHBondContact O-N 3.36Å
55V76.4Confident60.8Low49 Ų4980.4 Ų80.430%0.29744%0.437SS..EExtended strand (participates in β ladder)trans-110.8130.7179.5-176.40000110L41 L45 I53 L57 L116L41-V55 HydrophobicContact CD2-CG1 4.22Å; L45-V55 HydrophobicContact CD1-CG2 4.15Å; L45-V55 HydrophobicContact CD2-CG2 3.71Å; L45-V55 HydrophobicContact CG-CG2 4.22Å; I53-V55 HydrophobicContact CG2-CG2 4.14Å; V55-L57 HydrophobicContact CG1-CD2 3.8Å; V55-L57 HydrophobicContact CG1-CG 4.31Å; V55-L116 CarbonylContact C-O 3.33Å; V55-L116 WeakPolarHBondContact CA-O 3.37Å; V55-L116 HydrophobicContact CG2-CB 4.2Å; V55-L116 HydrophobicContact CG2-CD2 4.45Å
56I77.9Confident59.2Low17 Ų1784.5 Ų84.59%0.08746%0.458CS..EExtended strand (participates in β ladder)trans-114114.5174.4-55.6173.1000107.6A101 I102 L105 I115 L116 L117 E118I56-A101 HydrophobicContact CG2-CB 4.17Å; I56-I102 HydrophobicContact CD1-CG1 3.64Å; I56-L105 HydrophobicContact CD1-CD1 3.51Å; I56-L105 HydrophobicContact CG1-CD1 3.53Å; I56-I115 HydrophobicContact CD1-CG2 3.9Å; I56-I115 HydrophobicContact CG1-CG2 4.35Å; I56-L116 PolarHBondContact N-O 3.12Å; I56-L117 HydrophobicContact CB-CD1 3.58Å; I56-L117 HydrophobicContact CD1-CD1 4.26Å; I56-L117 HydrophobicContact CG2-CD1 3.5Å; I56-L117 VanDerWaalsContact CG2-CD1 3.5Å; I56-E118 PolarHBondContact O-N 3Å
57L71.2Confident57.9Low98 Ų9884.4 Ų84.451%0.51345%0.451SS..EExtended strand (participates in β ladder)trans-93.6102.3176.9-55.8174.6000108.7L41 V55 E59 E118L41-L57 HydrophobicContact CD1-CD2 3.83Å; V55-L57 HydrophobicContact CG1-CD2 3.8Å; V55-L57 HydrophobicContact CG1-CG 4.31Å; L57-E59 VanDerWaalsContact C-N 3.32Å; L57-E59 PolarHBondContact O-N 3.43Å; L57-E59 VanDerWaalsContact O-N 3.14Å; L57-E118 HydrophobicContact CD2-CB 4.14Å; L57-E118 VanDerWaalsContact CD2-OE2 3.23Å; L57-E118 WeakPolarHBondContact CD2-OE2 3.35Å
58N64.5Low56.4Low27 Ų2784.6 Ų84.614%0.14445%0.45CS..EExtended strand (participates in β ladder)trans-86.774174.9-166.615.7000109.8E118 T120N58-E118 WeakPolarHBondContact CB-O 3.38Å; N58-E118 PolarHBondContact N-O 3.01Å; N58-T120 WeakPolarHBondContact O-CG2 3.39Å
59E53.4Low54.8Low98 Ų9880.2 Ų80.246%0.45844%0.439SS..  trans-102.1109.4170.5-76.8-150.2124.300111.9L57 G61L57-E59 VanDerWaalsContact C-N 3.32Å; L57-E59 PolarHBondContact O-N 3.43Å; L57-E59 VanDerWaalsContact O-N 3.14Å; E59-G61 PolarHBondContact O-N 2.92Å
60F44.8Very low53.3Low114 Ų11484.2 Ų84.250%0.546%0.461SS..  trans-83.685.4155.5-74.9-89000108.4V94F60-V94 HydrophobicContact CE2-CG1 4.21Å
61G31.9Very low51.7Low44 Ų4479.2 Ų79.245%0.45444%0.443SS..SBendtrans-174.4128.9174.700000114.4E59 G63E59-G61 PolarHBondContact O-N 2.92Å; G61-G63 PolarHBondContact O-N 3.24Å
62E32.6Very low50Low212 Ų21282.1 Ų82.199%0.99147%0.465SS*.THydrogen-bonded Turntrans-66.825.7178.1-70178.7140.800114.8
63G36.3Very low48.1Very low59 Ų5979 Ų7961%0.60846%0.462SS*.THydrogen-bonded Turntrans-90.4-2.2-178.500000115.3G61 A65G61-G63 PolarHBondContact O-N 3.24Å; G63-A65 VanDerWaalsContact C-N 3.32Å; G63-A65 PolarHBondContact O-N 3.33Å
64S39.2Very low46Very low43 Ų4387.7 Ų87.730%0.30150%0.502SS..THydrogen-bonded Turntrans-86.659-160.661.80000114.5K68S64-K68 VanDerWaalsContact CB-CE 3.45Å; S64-K68 VanDerWaalsContact CB-NZ 3.32Å; S64-K68 WeakPolarHBondContact O-CD 3.45Å; S64-K68 WeakPolarHBondContact O-CE 3.43Å; S64-K68 WeakPolarHBondContact O-CG 3.48Å; S64-K68 PolarHBondContact O-NZ 2.9Å; S64-K68 WeakPolarHBondContact OG-CE 3.42Å; S64-K68 PolarHBondContact OG-NZ 3.43Å
65A37.9Very low43.9Very low71 Ų7190.5 Ų90.559%0.58753%0.525SS*.THydrogen-bonded Turntrans-116.4-35.6163.400000112.5G63 S69G63-A65 VanDerWaalsContact C-N 3.32Å; G63-A65 PolarHBondContact O-N 3.33Å; A65-S69 PolarHBondContact O-OG 2.86Å
66L38.9Very low41.7Very low147 Ų14792.1 Ų92.177%0.7755%0.552SS**THydrogen-bonded Turntrans-84.9-40.7-178.4-109.183.9000113.2S69L66-S69 PolarHBondContact O-N 3.25Å
67E43.6Very low39.3Very low96 Ų9698.7 Ų98.745%0.44958%0.582SS.*G310 helixtrans-73.9-31.3-178.9-59.2-160.2177.600112.3T38 S69 L70T38-E67 PolarHBondContact OG1-OE2 3.27Å; E67-S69 PolarHBondContact O-N 3.38Å; E67-L70 PolarHBondContact O-N 3.27Å
68K40.7Very low37.2Very low99 Ų99101.9 Ų101.943%0.4360%0.599SS.*G310 helixtrans-60.9-26.1173.2-68.8-165.1179.5128.70114.1S64S64-K68 VanDerWaalsContact CB-CE 3.45Å; S64-K68 VanDerWaalsContact CB-NZ 3.32Å; S64-K68 WeakPolarHBondContact O-CD 3.45Å; S64-K68 WeakPolarHBondContact O-CE 3.43Å; S64-K68 WeakPolarHBondContact O-CG 3.48Å; S64-K68 PolarHBondContact O-NZ 2.9Å; S64-K68 WeakPolarHBondContact OG-CE 3.42Å; S64-K68 PolarHBondContact OG-NZ 3.43Å
69S33.2Very low36Very low88 Ų88108 Ų10862%0.61562%0.621SS**G310 helixtrans-83.1-13.5-178.6-69.60000113.8A65 L66 E67A65-S69 PolarHBondContact O-OG 2.86Å; L66-S69 PolarHBondContact O-N 3.25Å; E67-S69 PolarHBondContact O-N 3.38Å
70L36.7Very low35.2Very low124 Ų124108.5 Ų108.565%0.64962%0.623SS**THydrogen-bonded Turntrans-87.7-14-174.9-76160.2000113.6E67 V72E67-L70 PolarHBondContact O-N 3.27Å; L70-V72 VanDerWaalsContact C-N 3.32Å
71A35.8Very low34.7Very low62 Ų62109.9 Ų109.951%0.51263%0.631SS.*THydrogen-bonded Turntrans-87.26.517800000113.9
72V31.9Very low35Very low115 Ų115114.9 Ų114.970%0.69764%0.636SS**  trans-9897.9177.3-175.10000109.3L70L70-V72 VanDerWaalsContact C-N 3.32Å
73S29.8Very low35Very low55 Ų55110.1 Ų110.139%0.38562%0.617SS.*  trans-82.1152.5168.968.70000111.6A75S73-A75 PolarHBondContact O-N 2.96Å
74Q33.3Very low34.3Very low209 Ų209113.9 Ų113.998%0.97762%0.619SS**THydrogen-bonded Turntrans-68.722.4-162.2-70179.4-32.400117.3
75A30.8Very low33.9Very low74 Ų74119.2 Ų119.261%0.61264%0.643SS**THydrogen-bonded Turntrans-125.313.7-165.700000116.7S73 E77S73-A75 PolarHBondContact O-N 2.96Å; A75-E77 PolarHBondContact O-N 2.86Å
76G31.5Very low33.3Very low82 Ų82125.2 Ų125.285%0.84565%0.651SS**  trans61.13.716500000116.8
77E27.5Very low32.6Very low156 Ų156126 Ų12673%0.72966%0.656SS**  trans-87.5116.5165.3-72.4-171.416000107.7A75 Y79A75-E77 PolarHBondContact O-N 2.86Å; E77-Y79 WeakPolarHBondContact O-CD2 3.34Å; E77-Y79 PolarHBondContact O-N 3.04Å
78L27.1Very low31.9Very low164 Ų164124.8 Ų124.886%0.85967%0.669SS**  trans-56.7100.7177.2-70.9149.4000109.1E80L78-E80 PolarHBondContact O-N 3.47Å; L78-E80 VanDerWaalsContact O-N 3.11Å
79Y39.2Very low31.5Very low156 Ų156126.5 Ų126.561%0.61269%0.692SS**  trans-70.3103.5156.9-68.5-87.1000105.2E77 E81E77-Y79 WeakPolarHBondContact O-CD2 3.34Å; E77-Y79 PolarHBondContact O-N 3.04Å; Y79-E81 VanDerWaalsContact C-N 3.26Å; Y79-E81 PolarHBondContact O-N 2.98Å
80E35.5Very low31.3Very low109 Ų109129.5 Ų129.551%0.50970%0.7SS.*  trans-57.485.2-172.3-108.7-175.7-173.100111L78 W82 K111L78-E80 PolarHBondContact O-N 3.47Å; L78-E80 VanDerWaalsContact O-N 3.11Å; E80-W82 HydrophobicContact CG-CZ2 3.89Å; E80-W82 VanDerWaalsContact O-CD1 3.27Å; E80-W82 PolarHBondContact O-N 2.94Å; E80-W82 VanDerWaalsContact O-N 3.15Å; E80-W82 WeakPolarHBondContact OE1-CZ2 3.47Å; E80-W82 WeakPolarHBondContact OE2-CZ2 3.23Å; E80-W82 PolarHBondContact OE2-NE1 3.35Å; E80-K111 IonicContact OE1-NZ 2.73Å; E80-K111 PolarHBondContact OE1-NZ 3.16Å; E80-K111 IonicContact OE2-NZ 3.63Å; E80-K111 PolarHBondContact OE2-NZ 2.88Å
81E34.4Very low30.9Very low143 Ų143129.6 Ų129.667%0.66871%0.71SS**  trans-67.295167.9-170.1-177.3-167.700107.7Y79 L83Y79-E81 VanDerWaalsContact C-N 3.26Å; Y79-E81 PolarHBondContact O-N 2.98Å; E81-L83 PolarHBondContact O-N 3.25Å
82W39Very low30.4Very low148 Ų148131.2 Ų131.256%0.56172%0.717SS**  trans-92.883.4174.3-65.5102.7000109.7E80 K108E80-W82 HydrophobicContact CG-CZ2 3.89Å; E80-W82 VanDerWaalsContact O-CD1 3.27Å; E80-W82 PolarHBondContact O-N 2.94Å; E80-W82 VanDerWaalsContact O-N 3.15Å; E80-W82 WeakPolarHBondContact OE1-CZ2 3.47Å; E80-W82 WeakPolarHBondContact OE2-CZ2 3.23Å; E80-W82 PolarHBondContact OE2-NE1 3.35Å; W82-K108 VanDerWaalsContact CE2-NZ 3.29Å; W82-K108 VanDerWaalsContact CE3-NZ 3.27Å
83L32.7Very low30.4Very low112 Ų112130.2 Ų130.259%0.58671%0.714SS**  trans-125.285.6171.3-140.4155.9000108.4E81E81-L83 PolarHBondContact O-N 3.25Å
84E22.5Very low31.1Very low138 Ų138132.6 Ų132.665%0.64573%0.726SS**  trans-112.4100.5161.7-81.6-157.2139.700109.4R86E84-R86 IonicContact OE1-CZ 2.99Å; E84-R86 VanDerWaalsContact OE1-CZ 3.28Å; E84-R86 IonicContact OE1-NE 3.61Å; E84-R86 PolarHBondContact OE1-NE 3.44Å; E84-R86 IonicContact OE1-NH2 4Å; E84-R86 PolarHBondContact OE1-NH2 3.4Å
85L30.1Very low31.7Very low155 Ų155129.4 Ų129.481%0.81271%0.709SS**  trans-118.592.8148.6-78.6167.8000107.4N87L85-N87 PolarHBondContact O-N 3.24Å
86R26.1Very low32.7Very low197 Ų197130.3 Ų130.374%0.74370%0.704SS**  trans-72.8112.4169.9-67.3-176.2-174.6-167.22.1108.3E84E84-R86 IonicContact OE1-CZ 2.99Å; E84-R86 VanDerWaalsContact OE1-CZ 3.28Å; E84-R86 IonicContact OE1-NE 3.61Å; E84-R86 PolarHBondContact OE1-NE 3.44Å; E84-R86 IonicContact OE1-NH2 4Å; E84-R86 PolarHBondContact OE1-NH2 3.4Å
87N23.8Very low34.1Very low164 Ų164130.1 Ų130.188%0.87768%0.683SS**SBendtrans43.2103.7152.4-53.4-17.4000117.4L85L85-N87 PolarHBondContact O-N 3.24Å
88G27.8Very low35.7Very low70 Ų70123 Ų12372%0.72265%0.653SS**  trans169112.8156.700000111.3L90G88-L90 PolarHBondContact O-N 2.89Å
89C32.6Very low37.6Very low135 Ų135116.7 Ų116.791%0.91262%0.619SS**  trans-44.3122.8172.9-63.80000110.8
90L28.8Very low39Very low151 Ų151114.5 Ų114.579%0.79161%0.613SS**  trans-139.882.3163.7-132.194.2000109.5G88 C92G88-L90 PolarHBondContact O-N 2.89Å; L90-C92 VanDerWaalsContact C-N 3.34Å; L90-C92 PolarHBondContact O-N 3.25Å; L90-C92 VanDerWaalsContact O-N 3.11Å
91C28.3Very low40.7Very low127 Ų127110.9 Ų110.986%0.85860%0.601SS**  trans-58.4100.8148.2161.80000106.7
92C25.1Very low42.5Very low96 Ų96104.1 Ų104.165%0.64957%0.57SS**  trans-176.8125153.3-94.30000111.5L90L90-C92 VanDerWaalsContact C-N 3.34Å; L90-C92 PolarHBondContact O-N 3.25Å; L90-C92 VanDerWaalsContact O-N 3.11Å
93S33.5Very low44.2Very low93 Ų93101.1 Ų101.165%0.6556%0.562SS**  trans44110.9156.7-53.90000120.6K95S93-K95 PolarHBondContact O-N 3.01Å
94V43.9Very low46.2Very low105 Ų105100.2 Ų100.264%0.63656%0.558SS**THydrogen-bonded Turntrans-52.1-6.6-177.5-178.80000117F60F60-V94 HydrophobicContact CE2-CG1 4.21Å
95K46.3Very low48.6Very low143 Ų14395 Ų9562%0.62254%0.535SS*.THydrogen-bonded Turntrans-89.7-31.6-174.3-69.1-171.5175.1-170.70115S93S93-K95 PolarHBondContact O-N 3.01Å
96D51.9Low50.8Low92 Ų9288.3 Ų88.349%0.49250%0.499SS..Hα-helixtrans-86-17.6-166.9-76.9-20.8000115.5K100D96-K100 WeakPolarHBondContact O-CD 3.43Å; D96-K100 WeakPolarHBondContact O-CG 3.45Å; D96-K100 PolarHBondContact O-N 3.26Å
97N60.2Low53.1Low78 Ų7886.9 Ų86.942%0.41750%0.501SS..Hα-helixtrans-79.8-35.1-175-76.8-6.3000113.1A101N97-A101 WeakPolarHBondContact O-CB 3.4Å; N97-A101 PolarHBondContact O-N 3.21Å; N97-A101 VanDerWaalsContact O-N 3.15Å
98G61.3Low55.2Low8 Ų882.5 Ų82.58%0.08247%0.474CS..Hα-helixtrans-67.9-42.7178.700000112.1A101 I102G98-A101 PolarHBondContact O-N 2.78Å; G98-I102 WeakPolarHBondContact O-CG1 3.44Å; G98-I102 PolarHBondContact O-N 3.14Å; G98-I102 VanDerWaalsContact O-N 3.08Å
99L66.3Low57.2Low31 Ų3184 Ų8416%0.16246%0.46CS..Hα-helixtrans-61.2-51.7178.6-67178.1000111.6A101 I102 E103 M131 L138L99-A101 VanDerWaalsContact C-N 3.25Å; L99-A101 PolarHBondContact O-N 2.89Å; L99-I102 PolarHBondContact O-N 3.37Å; L99-E103 WeakPolarHBondContact O-CG 3.36Å; L99-E103 PolarHBondContact O-N 3.33Å; L99-M131 HydrophobicContact CD1-SD 4.19Å; L99-M131 HydrophobicContact CD2-CB 3.71Å; L99-M131 HydrophobicContact CD2-CG 4.16Å; L99-M131 HydrophobicContact CD2-SD 3.72Å; L99-M131 HydrophobicContact CG-SD 3.69Å; L99-L138 HydrophobicContact CD2-CD1 3.42Å; L99-L138 VanDerWaalsContact CD2-CD1 3.42Å
100K68.9Low58.8Low110 Ų11080 Ų8048%0.47844%0.443SS..Hα-helixtrans-59.3-36.4177.3-70174.7-175.8171.80112.8D96 N104D96-K100 WeakPolarHBondContact O-CD 3.43Å; D96-K100 WeakPolarHBondContact O-CG 3.45Å; D96-K100 PolarHBondContact O-N 3.26Å; K100-N104 VanDerWaalsContact O-CB 3.27Å; K100-N104 WeakPolarHBondContact O-CB 3.26Å; K100-N104 PolarHBondContact O-N 3.33Å; K100-N104 PolarHBondContact O-ND2 2.85Å
101A70.5Confident60.7Low32 Ų3278 Ų7826%0.26443%0.428SS..Hα-helixtrans-65.1-40.9176.300000111.6I56 N97 G98 L99 L105I56-A101 HydrophobicContact CG2-CB 4.17Å; N97-A101 WeakPolarHBondContact O-CB 3.4Å; N97-A101 PolarHBondContact O-N 3.21Å; N97-A101 VanDerWaalsContact O-N 3.15Å; G98-A101 PolarHBondContact O-N 2.78Å; L99-A101 VanDerWaalsContact C-N 3.25Å; L99-A101 PolarHBondContact O-N 2.89Å; A101-L105 WeakPolarHBondContact O-CG 3.45Å; A101-L105 PolarHBondContact O-N 2.83Å; A101-L105 VanDerWaalsContact O-N 3.13Å
102I72.9Confident62.9Low2 Ų272.7 Ų72.71%0.0139%0.39CS..Hα-helixtrans-68.9-47.5176-61.6166.7000110.2I56 G98 L99 N104 L105 M106 F132 L138 V142I56-I102 HydrophobicContact CD1-CG1 3.64Å; G98-I102 WeakPolarHBondContact O-CG1 3.44Å; G98-I102 PolarHBondContact O-N 3.14Å; G98-I102 VanDerWaalsContact O-N 3.08Å; L99-I102 PolarHBondContact O-N 3.37Å; I102-N104 VanDerWaalsContact C-N 3.34Å; I102-N104 PolarHBondContact O-N 3.13Å; I102-L105 CarbonylContact O-C 3.57Å; I102-L105 WeakPolarHBondContact O-CA 3.48Å; I102-L105 WeakPolarHBondContact O-CB 3.44Å; I102-L105 PolarHBondContact O-N 3.46Å; I102-M106 HydrophobicContact CG2-CG 4.19Å; I102-M106 VanDerWaalsContact O-CG 3.32Å; I102-M106 WeakPolarHBondContact O-CG 3.43Å; I102-M106 PolarHBondContact O-N 2.98Å; I102-F132 HydrophobicContact CD1-CE1 4.09Å; I102-F132 HydrophobicContact CD1-CZ 3.97Å; I102-L138 HydrophobicContact CB-CD2 3.96Å; I102-L138 HydrophobicContact CG2-CD2 3.33Å; I102-V142 HydrophobicContact CG2-CG1 4.35Å; I102-V142 HydrophobicContact CG2-CG2 4.46Å
103E75.5Confident65.3Low84 Ų8471.3 Ų71.339%0.39338%0.376SS..Hα-helixtrans-54.1-48.3176.5-71.7168.6178.900111.8L99 L105 M106 E107L99-E103 WeakPolarHBondContact O-CG 3.36Å; L99-E103 PolarHBondContact O-N 3.33Å; E103-L105 VanDerWaalsContact C-N 3.28Å; E103-L105 PolarHBondContact O-N 2.8Å; E103-M106 WeakPolarHBondContact O-CA 3.35Å; E103-M106 WeakPolarHBondContact O-CB 3.36Å; E103-M106 PolarHBondContact O-N 2.63Å; E103-E107 PolarHBondContact O-N 2.85Å; E103-E107 VanDerWaalsContact O-N 3.09Å
104N74.2Confident67.5Low94 Ų9467 Ų6750%0.50335%0.345SS..Hα-helixtrans-62.9-32.8177-71.7-26.4000112.9K100 I102K100-N104 VanDerWaalsContact O-CB 3.27Å; K100-N104 WeakPolarHBondContact O-CB 3.26Å; K100-N104 PolarHBondContact O-N 3.33Å; K100-N104 PolarHBondContact O-ND2 2.85Å; I102-N104 VanDerWaalsContact C-N 3.34Å; I102-N104 PolarHBondContact O-N 3.13Å
105L72.8Confident69.4Low29 Ų2962 Ų6215%0.15232%0.315CS..Hα-helixtrans-71.7-36.7173.3-78.9166.9000111A54 I56 A101 I102 E103 E107 K108 F112A54-L105 HydrophobicContact CB-CD1 4.46Å; A54-L105 HydrophobicContact CB-CD2 4.32Å; I56-L105 HydrophobicContact CD1-CD1 3.51Å; I56-L105 HydrophobicContact CG1-CD1 3.53Å; A101-L105 WeakPolarHBondContact O-CG 3.45Å; A101-L105 PolarHBondContact O-N 2.83Å; A101-L105 VanDerWaalsContact O-N 3.13Å; I102-L105 CarbonylContact O-C 3.57Å; I102-L105 WeakPolarHBondContact O-CA 3.48Å; I102-L105 WeakPolarHBondContact O-CB 3.44Å; I102-L105 PolarHBondContact O-N 3.46Å; E103-L105 VanDerWaalsContact C-N 3.28Å; E103-L105 PolarHBondContact O-N 2.8Å; L105-E107 VanDerWaalsContact C-N 3.28Å; L105-E107 PolarHBondContact O-N 2.94Å; L105-K108 CarbonylContact O-C 3.57Å; L105-K108 WeakPolarHBondContact O-CA 3.35Å; L105-K108 PolarHBondContact O-N 2.73Å; L105-F112 HydrophobicContact CB-CE1 4.29Å; L105-F112 HydrophobicContact CB-CZ 4.03Å; L105-F112 HydrophobicContact CD2-CE1 4.4Å; L105-F112 VanDerWaalsContact O-CE1 3.26Å; L105-F112 WeakPolarHBondContact O-CE1 3.12Å; L105-F112 WeakPolarHBondContact O-CZ 3.45Å
106M75.5Confident71.1Confident14 Ų1455.1 Ų55.17%0.06929%0.285CS..Hα-helixtrans-67-26.7178-68.7-40.3-83.300112.9I24 I102 E103 K108 K109 F112 I115 D141 V142I24-M106 HydrophobicContact CD1-CE 3.81Å; I24-M106 HydrophobicContact CD1-SD 4.12Å; I24-M106 HydrophobicContact CG1-CE 4.36Å; I102-M106 HydrophobicContact CG2-CG 4.19Å; I102-M106 VanDerWaalsContact O-CG 3.32Å; I102-M106 WeakPolarHBondContact O-CG 3.43Å; I102-M106 PolarHBondContact O-N 2.98Å; E103-M106 WeakPolarHBondContact O-CA 3.35Å; E103-M106 WeakPolarHBondContact O-CB 3.36Å; E103-M106 PolarHBondContact O-N 2.63Å; M106-K108 PolarHBondContact O-N 3.05Å; M106-K109 HydrophobicContact CE-CD 3.5Å; M106-K109 VanDerWaalsContact CE-CD 3.5Å; M106-K109 HydrophobicContact CE-CG 3.59Å; M106-K109 WeakPolarHBondContact O-CB 3.21Å; M106-K109 WeakPolarHBondContact O-CE 3.23Å; M106-K109 WeakPolarHBondContact O-CG 3.35Å; M106-K109 PolarHBondContact O-N 2.79Å; M106-K109 VanDerWaalsContact O-N 3.16Å; M106-K109 HydrophobicContact SD-CG 4.22Å; M106-F112 HydrophobicContact SD-CE2 4.4Å; M106-F112 HydrophobicContact SD-CZ 4.14Å; M106-I115 HydrophobicContact SD-CD1 4.43Å; M106-D141 HydrophobicContact CE-CB 3.6Å; M106-V142 HydrophobicContact CE-CG1 3.69Å; M106-V142 HydrophobicContact CG-CG1 4.32Å; M106-V142 HydrophobicContact SD-CG1 3.59Å; M106-V142 VanDerWaalsContact SD-CG1 3.59Å
107E76.1Confident72.7Confident167 Ų16751 Ų5178%0.7826%0.263SS*.THydrogen-bonded Turntrans-59.7-24.5168.1-65.2-172.3163.200112.9E103 L105E103-E107 PolarHBondContact O-N 2.85Å; E103-E107 VanDerWaalsContact O-N 3.09Å; L105-E107 VanDerWaalsContact C-N 3.28Å; L105-E107 PolarHBondContact O-N 2.94Å
108K67.6Low73.9Confident72 Ų7247.8 Ų47.831%0.31325%0.246SC..THydrogen-bonded Turntrans-103.924.2179.9-60.3179-176.8175.10112.7W82 L105 M106 G110 K111W82-K108 VanDerWaalsContact CE2-NZ 3.29Å; W82-K108 VanDerWaalsContact CE3-NZ 3.27Å; L105-K108 CarbonylContact O-C 3.57Å; L105-K108 WeakPolarHBondContact O-CA 3.35Å; L105-K108 PolarHBondContact O-N 2.73Å; M106-K108 PolarHBondContact O-N 3.05Å; K108-G110 PolarHBondContact O-N 3.01Å; K108-K111 PolarHBondContact O-N 3.28Å
109K68.1Low74.8Confident100 Ų10047.4 Ų47.444%0.43524%0.242SC..THydrogen-bonded Turntrans-45.2135.4175.6-94.6178.5-113.7-175.50112.1I24 M106 D141I24-K109 HydrophobicContact CD1-CG 4.34Å; M106-K109 HydrophobicContact CE-CD 3.5Å; M106-K109 VanDerWaalsContact CE-CD 3.5Å; M106-K109 HydrophobicContact CE-CG 3.59Å; M106-K109 WeakPolarHBondContact O-CB 3.21Å; M106-K109 WeakPolarHBondContact O-CE 3.23Å; M106-K109 WeakPolarHBondContact O-CG 3.35Å; M106-K109 PolarHBondContact O-N 2.79Å; M106-K109 VanDerWaalsContact O-N 3.16Å; M106-K109 HydrophobicContact SD-CG 4.22Å; K109-D141 IonicContact NZ-OD1 2.7Å; K109-D141 PolarHBondContact NZ-OD1 2.99Å; K109-D141 IonicContact NZ-OD2 2.59Å; K109-D141 PolarHBondContact NZ-OD2 3.5Å
110G66.9Low75.3Confident52 Ų5247.8 Ų47.854%0.53625%0.245SC..THydrogen-bonded Turntrans101.4-11.9179.500000115.4R52 K108R52-G110 PolarHBondContact NH1-O 3.07Å; R52-G110 PolarHBondContact NH2-O 3.17Å; K108-G110 PolarHBondContact O-N 3.01Å
111K69.9Low75.4Confident110 Ų11042.8 Ų42.848%0.47823%0.225SC..SBendtrans-85.9-25.2172.1-76.1-170.3168-164.90114.2R52 E80 K108R52-K111 VanDerWaalsContact CD-O 3.3Å; R52-K111 WeakPolarHBondContact CD-O 3.46Å; R52-K111 PolarHBondContact NE-O 2.7Å; R52-K111 PolarHBondContact NH1-O 2.88Å; E80-K111 IonicContact OE1-NZ 2.73Å; E80-K111 PolarHBondContact OE1-NZ 3.16Å; E80-K111 IonicContact OE2-NZ 3.63Å; E80-K111 PolarHBondContact OE2-NZ 2.88Å; K108-K111 PolarHBondContact O-N 3.28Å
112F74.1Confident75.6Confident14 Ų1445.7 Ų45.76%0.06124%0.236CC..  trans-131.5155.7-179.958.6-87.2000109.9I24 R52 A54 L105 M106 I115I24-F112 HydrophobicContact CD1-CD2 3.97Å; I24-F112 HydrophobicContact CD1-CE2 3.4Å; I24-F112 HydrophobicContact CD1-CZ 4.05Å; I24-F112 HydrophobicContact CG2-CD2 4.12Å; I24-F112 HydrophobicContact CG2-CE2 4.06Å; R52-F112 HydrophobicContact CB-CB 4.46Å; R52-F112 CarbonylContact O-C 3.42Å; R52-F112 WeakPolarHBondContact O-CA 3.26Å; R52-F112 WeakPolarHBondContact O-CB 3.32Å; A54-F112 HydrophobicContact CB-CB 4.1Å; A54-F112 HydrophobicContact CB-CD1 4.27Å; A54-F112 HydrophobicContact CB-CD2 4.02Å; A54-F112 HydrophobicContact CB-CG 3.86Å; L105-F112 HydrophobicContact CB-CE1 4.29Å; L105-F112 HydrophobicContact CB-CZ 4.03Å; L105-F112 HydrophobicContact CD2-CE1 4.4Å; L105-F112 VanDerWaalsContact O-CE1 3.26Å; L105-F112 WeakPolarHBondContact O-CE1 3.12Å; L105-F112 WeakPolarHBondContact O-CZ 3.45Å; M106-F112 HydrophobicContact SD-CE2 4.4Å; M106-F112 HydrophobicContact SD-CZ 4.14Å; F112-I115 HydrophobicContact CD2-CG1 3.98Å; F112-I115 HydrophobicContact CE2-CD1 3.81Å; F112-I115 HydrophobicContact CE2-CG1 3.69Å
113D75.9Confident75.6Confident68 Ų6846.6 Ų46.636%0.36424%0.244SC..SBendtrans-119-3.2-177.8-50.3-56.5000111.8P25 R52P25-D113 WeakPolarHBondContact CD-O 3.45Å; R52-D113 IonicContact CZ-OD1 2.77Å; R52-D113 IonicContact CZ-OD2 3.83Å; R52-D113 IonicContact NE-OD1 3.74Å; R52-D113 IonicContact NE-OD2 2.82Å; R52-D113 PolarHBondContact NE-OD2 2.75Å; R52-D113 IonicContact NH2-OD1 2.98Å; R52-D113 PolarHBondContact NH2-OD1 2.83Å; R52-D113 IonicContact NH2-OD2 2.64Å; R52-D113 PolarHBondContact NH2-OD2 3.34Å; R52-D113 PolarHBondContact O-N 3.45Å
114Y79.5Confident75.7Confident1 Ų144.5 Ų44.50%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-154145.2-174.8-153.8-83.2000110.7P25 T27 K51 R52 I53 A54 D145 L225 D226P25-Y114 HydrophobicContact CB-CD2 4.04Å; P25-Y114 HydrophobicContact CB-CE2 3.73Å; P25-Y114 HydrophobicContact CG-CD2 3.31Å; P25-Y114 HydrophobicContact CG-CE2 3.48Å; P25-Y114 VanDerWaalsContact CG-CE2 3.48Å; P25-Y114 HydrophobicContact CG-CG 4.08Å; T27-Y114 WeakPolarHBondContact OG1-CE1 3.32Å; T27-Y114 PolarHBondContact OG1-OH 3.32Å; K51-Y114 HydrophobicContact CD-CD2 4.06Å; R52-Y114 PolarHBondContact O-N 2.59Å; I53-Y114 CarbonylContact C-O 3.57Å; I53-Y114 WeakPolarHBondContact CA-O 3.2Å; I53-Y114 HydrophobicContact CG2-CD1 4.34Å; A54-Y114 PolarHBondContact N-O 3.15Å; Y114-D145 PolarHBondContact OH-OD2 3.33Å; Y114-L225 HydrophobicContact CD1-CD2 4.22Å; Y114-L225 HydrophobicContact CE1-CD2 3.58Å; Y114-L225 HydrophobicContact CE2-CB 4.2Å; Y114-L225 HydrophobicContact CE2-CD2 4.44Å; Y114-L225 WeakPolarHBondContact OH-CA 2.96Å; Y114-D226 WeakPolarHBondContact CE2-OD1 3.39Å; Y114-D226 PolarHBondContact OH-N 2.67Å
115I82.8Confident76Confident0 Ų040 Ų400%021%0.212CC..EExtended strand (participates in β ladder)trans-119.5134.7173.6-61.2166.4000109.9I24 P25 V26 T27 A54 I56 M106 F112 V142I24-I115 HydrophobicContact CG2-CD1 4.08Å; I24-I115 HydrophobicContact CG2-CG1 3.93Å; P25-I115 PolarHBondContact O-N 3.3Å; V26-I115 WeakPolarHBondContact CA-O 3.41Å; V26-I115 HydrophobicContact CB-CB 4.45Å; V26-I115 HydrophobicContact CG1-CB 4.34Å; V26-I115 HydrophobicContact CG1-CG2 4.08Å; V26-I115 HydrophobicContact CG2-CB 4Å; V26-I115 HydrophobicContact CG2-CD1 4.06Å; V26-I115 HydrophobicContact CG2-CG2 4.37Å; T27-I115 PolarHBondContact N-O 3.21Å; A54-I115 HydrophobicContact CB-CG1 4.38Å; A54-I115 CarbonylContact O-C 3.57Å; A54-I115 WeakPolarHBondContact O-CA 3.45Å; I56-I115 HydrophobicContact CD1-CG2 3.9Å; I56-I115 HydrophobicContact CG1-CG2 4.35Å; M106-I115 HydrophobicContact SD-CD1 4.43Å; F112-I115 HydrophobicContact CD2-CG1 3.98Å; F112-I115 HydrophobicContact CE2-CD1 3.81Å; F112-I115 HydrophobicContact CE2-CG1 3.69Å; I115-V142 HydrophobicContact CD1-CG1 3.96Å
116L82.6Confident76.4Confident0 Ų038.7 Ų38.70%021%0.205CC..EExtended strand (participates in β ladder)trans-117.8119174.6-162.760.5000109.5T27 I29 L41 I44 I53 A54 V55 I56T27-L116 HydrophobicContact CG2-CD1 4.18Å; I29-L116 HydrophobicContact CD1-CD1 3.54Å; I29-L116 HydrophobicContact CD1-CD2 3.74Å; I29-L116 HydrophobicContact CD1-CG 3.75Å; I29-L116 HydrophobicContact CG1-CD1 3.79Å; I29-L116 HydrophobicContact CG1-CG 4.31Å; L41-L116 HydrophobicContact CD2-CD2 3.32Å; L41-L116 HydrophobicContact CD2-CG 3.88Å; I44-L116 HydrophobicContact CD1-CD2 3.81Å; I44-L116 HydrophobicContact CG2-CD2 4.19Å; I53-L116 HydrophobicContact CG2-CB 3.89Å; A54-L116 PolarHBondContact O-N 3.36Å; V55-L116 CarbonylContact C-O 3.33Å; V55-L116 WeakPolarHBondContact CA-O 3.37Å; V55-L116 HydrophobicContact CG2-CB 4.2Å; V55-L116 HydrophobicContact CG2-CD2 4.45Å; I56-L116 PolarHBondContact N-O 3.12Å
117L85Confident76.5Confident4 Ų439.9 Ų39.92%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-109.8108.9-177.1-17867.4000109.7V26 T27 I28 I29 I56 V128V26-L117 HydrophobicContact CG1-CB 4.32Å; T27-L117 PolarHBondContact O-N 2.92Å; I28-L117 CarbonylContact C-O 3.56Å; I28-L117 WeakPolarHBondContact CA-O 3.39Å; I28-L117 HydrophobicContact CG1-CD2 4.29Å; I29-L117 PolarHBondContact N-O 2.78Å; I56-L117 HydrophobicContact CB-CD1 3.58Å; I56-L117 HydrophobicContact CD1-CD1 4.26Å; I56-L117 HydrophobicContact CG2-CD1 3.5Å; I56-L117 VanDerWaalsContact CG2-CD1 3.5Å; L117-V128 HydrophobicContact CD2-CG1 3.26Å
118E84.7Confident76.7Confident12 Ų1232.6 Ų32.66%0.05618%0.183CC..EExtended strand (participates in β ladder)trans-81.9133.5170.5-172.8179.6-168.300110.3K37 L41 I56 L57 N58K37-E118 WeakPolarHBondContact CB-OE1 3.45Å; K37-E118 VanDerWaalsContact CE-OE1 3.29Å; K37-E118 WeakPolarHBondContact CE-OE1 3.36Å; L41-E118 HydrophobicContact CD1-CB 3.92Å; L41-E118 VanDerWaalsContact CD1-CD 3.44Å; L41-E118 HydrophobicContact CD1-CG 4.02Å; L41-E118 WeakPolarHBondContact CD1-OE2 3.38Å; I56-E118 PolarHBondContact O-N 3Å; L57-E118 HydrophobicContact CD2-CB 4.14Å; L57-E118 VanDerWaalsContact CD2-OE2 3.23Å; L57-E118 WeakPolarHBondContact CD2-OE2 3.35Å; N58-E118 WeakPolarHBondContact CB-O 3.38Å; N58-E118 PolarHBondContact N-O 3.01Å
119T81.3Confident77.3Confident0 Ų029.1 Ų29.10%017%0.169CC..EExtended strand (participates in β ladder)trans-106.7149.3171.357.50000110.9I28 I29 T30 K37 V128I28-T119 HydrophobicContact CG2-CG2 3.69Å; I29-T119 PolarHBondContact O-N 2.55Å; I29-T119 PolarHBondContact O-OG1 3.27Å; T30-T119 WeakPolarHBondContact CA-OG1 3.48Å; T30-T119 WeakPolarHBondContact CB-OG1 3.26Å; T30-T119 PolarHBondContact OG1-OG1 2.87Å; K37-T119 WeakPolarHBondContact CE-O 3.37Å; T119-V128 HydrophobicContact CG2-CG2 4.11Å
120T77Confident77.8Confident38 Ų3825.6 Ų25.623%0.23316%0.156CC..  trans-59.1157.8175.471.20000111.4N58 L122 A123N58-T120 WeakPolarHBondContact O-CG2 3.39Å; T120-L122 PolarHBondContact O-N 3.07Å; T120-A123 PolarHBondContact O-N 2.88Å; T120-A123 WeakPolarHBondContact OG1-CB 3.37Å; T120-A123 PolarHBondContact OG1-N 2.79Å
121G71.6Confident78.2Confident6 Ų624.4 Ų24.46%0.06214%0.137CC..THydrogen-bonded Turntrans-62.6-13.2-177.600000115.8G31 Q175G31-G121 VanDerWaalsContact O-CA 3.23Å; G31-G121 WeakPolarHBondContact O-CA 3.38Å; G121-Q175 PolarHBondContact O-NE2 2.82Å
122L72.9Confident78.5Confident92 Ų9220 Ų2048%0.48212%0.118SC..THydrogen-bonded Turntrans-114.6-1.2177.6-61.1174000113.1Y32 L33 T120 E171Y32-L122 HydrophobicContact CD2-CD2 4.41Å; Y32-L122 HydrophobicContact CE2-CD2 3.68Å; L33-L122 HydrophobicContact CD1-CD1 4.39Å; L33-L122 HydrophobicContact CD1-CD2 4.06Å; L33-L122 HydrophobicContact CD1-CG 3.77Å; T120-L122 PolarHBondContact O-N 3.07Å; L122-E171 HydrophobicContact CD2-CG 4.45Å
123A73.7Confident78.4Confident22 Ų2222.4 Ų22.418%0.18213%0.127CC..  trans-69.3146.4179.500000111T120 P125 Q175T120-A123 PolarHBondContact O-N 2.88Å; T120-A123 WeakPolarHBondContact OG1-CB 3.37Å; T120-A123 PolarHBondContact OG1-N 2.79Å; A123-P125 WeakPolarHBondContact O-CD 3.45Å; A123-Q175 PolarHBondContact O-NE2 2.98Å
124D77.5Confident78.2Confident40 Ų4024.4 Ų24.421%0.21414%0.141CC..  trans-84.3110.9171.5-172.6-11.5000109G126 A127 R174 H317D124-G126 PolarHBondContact O-N 3.24Å; D124-G126 PolarHBondContact OD1-N 2.94Å; D124-A127 HydrophobicContact CB-CB 4.36Å; D124-A127 PolarHBondContact O-N 3.04Å; D124-R174 VanDerWaalsContact CG-CD 3.46Å; D124-R174 WeakPolarHBondContact OD1-CD 3.46Å; D124-R174 WeakPolarHBondContact OD2-CD 3.38Å; D124-R174 IonicContact OD2-CZ 2.84Å; D124-R174 IonicContact OD2-NE 2.82Å; D124-R174 IonicContact OD2-NH1 3.6Å; D124-R174 PolarHBondContact OD2-NH1 3.27Å; D124-H317 IonicContact OD1-CE1 2.69Å; D124-H317 IonicContact OD1-NE2 2.68Å; D124-H317 IonicContact OD2-CD2 3.73Å; D124-H317 IonicContact OD2-CE1 3.73Å; D124-H317 IonicContact OD2-NE2 3.97Å; D124-H317 PolarHBondContact OD2-NE2 3.1Å
125P81.6Confident77.8Confident0 Ų026.5 Ų26.50%015%0.152CC..Hα-helixtrans-65.6-21.4179.828.7-35000112I28 T30 A123 V128 A129 I147 Q175 L178I28-P125 HydrophobicContact CG2-CB 4.42Å; T30-P125 HydrophobicContact CG2-CB 4.25Å; T30-P125 HydrophobicContact CG2-CG 4.17Å; A123-P125 WeakPolarHBondContact O-CD 3.45Å; P125-V128 PolarHBondContact O-N 2.89Å; P125-A129 WeakPolarHBondContact O-CB 3.44Å; P125-A129 PolarHBondContact O-N 3.25Å; P125-I147 HydrophobicContact CB-CD1 4.4Å; P125-I147 HydrophobicContact CB-CG2 4.03Å; P125-I147 HydrophobicContact CG-CG2 4.43Å; P125-Q175 HydrophobicContact CG-CG 4.31Å; P125-L178 HydrophobicContact CG-CB 4.08Å; P125-L178 HydrophobicContact CG-CD1 3.74Å
126G79.4Confident77.1Confident1 Ų130.5 Ų30.51%0.0119%0.186CC..Hα-helixtrans-70.8-31.617700000113D124 V128 A129 S130D124-G126 PolarHBondContact O-N 3.24Å; D124-G126 PolarHBondContact OD1-N 2.94Å; G126-V128 PolarHBondContact O-N 2.9Å; G126-A129 PolarHBondContact O-N 3.4Å; G126-S130 WeakPolarHBondContact O-CB 3.06Å; G126-S130 PolarHBondContact O-N 3.46Å; G126-S130 PolarHBondContact O-OG 3.28Å
127A79.3Confident76.4Confident39 Ų3937.7 Ų37.732%0.32222%0.219SC..Hα-helixtrans-66.5-29.2173.100000111.6D124 S130 M131D124-A127 HydrophobicContact CB-CB 4.36Å; D124-A127 PolarHBondContact O-N 3.04Å; A127-S130 WeakPolarHBondContact CA-OG 3.45Å; A127-S130 PolarHBondContact O-OG 2.88Å; A127-M131 WeakPolarHBondContact O-CG 3.43Å
128V79.4Confident75.7Confident13 Ų1337.9 Ų37.98%0.07922%0.22CC..Hα-helixtrans-81.7-43.7177.2179.60000111I28 L117 T119 P125 G126 S130 M131 F132I28-V128 HydrophobicContact CD1-CB 4.13Å; I28-V128 HydrophobicContact CD1-CG1 3.69Å; I28-V128 HydrophobicContact CG1-CG1 4.42Å; L117-V128 HydrophobicContact CD2-CG1 3.26Å; T119-V128 HydrophobicContact CG2-CG2 4.11Å; P125-V128 PolarHBondContact O-N 2.89Å; G126-V128 PolarHBondContact O-N 2.9Å; V128-S130 VanDerWaalsContact C-N 3.28Å; V128-S130 PolarHBondContact O-N 3.1Å; V128-M131 HydrophobicContact CB-CE 4.01Å; V128-M131 HydrophobicContact CG1-CE 3.7Å; V128-M131 HydrophobicContact CG2-CE 4.2Å; V128-M131 WeakPolarHBondContact O-CB 3.41Å; V128-M131 PolarHBondContact O-N 3.25Å; V128-F132 HydrophobicContact CG1-CE2 4.46Å; V128-F132 WeakPolarHBondContact O-CD2 3.39Å
129A80.8Confident74.6Confident0 Ų038.6 Ų38.60%023%0.231CC..Hα-helixtrans-59.3-38.8174.700000112.3I28 P125 G126 M131 F132 W133 L144 I147 V316I28-A129 HydrophobicContact CD1-CB 4.44Å; P125-A129 WeakPolarHBondContact O-CB 3.44Å; P125-A129 PolarHBondContact O-N 3.25Å; G126-A129 PolarHBondContact O-N 3.4Å; A129-M131 PolarHBondContact O-N 3.29Å; A129-F132 PolarHBondContact O-N 3.35Å; A129-W133 HydrophobicContact CB-CZ3 4.38Å; A129-L144 HydrophobicContact CB-CD2 3.61Å; A129-I147 HydrophobicContact CB-CD1 4.24Å; A129-V316 HydrophobicContact CB-CG1 4.41Å
130S77.1Confident74.1Confident25 Ų2541.8 Ų41.818%0.17525%0.253CS..Hα-helixtrans-62.1-24.7178.752.80000114.3G126 A127 V128 F132 W133 V134G126-S130 WeakPolarHBondContact O-CB 3.06Å; G126-S130 PolarHBondContact O-N 3.46Å; G126-S130 PolarHBondContact O-OG 3.28Å; A127-S130 WeakPolarHBondContact CA-OG 3.45Å; A127-S130 PolarHBondContact O-OG 2.88Å; V128-S130 VanDerWaalsContact C-N 3.28Å; V128-S130 PolarHBondContact O-N 3.1Å; S130-F132 VanDerWaalsContact C-N 3.3Å; S130-F132 PolarHBondContact O-N 3.11Å; S130-W133 PolarHBondContact O-N 3.17Å; S130-V134 WeakPolarHBondContact O-CG2 3.38Å; S130-V134 PolarHBondContact O-N 3.32Å
131M76.6Confident74.2Confident28 Ų2842.4 Ų42.414%0.13826%0.255CS..Hα-helixtrans-64.2-34.9178-61.3-170-73.100112.6L99 A127 V128 A129 W133 D135L99-M131 HydrophobicContact CD1-SD 4.19Å; L99-M131 HydrophobicContact CD2-CB 3.71Å; L99-M131 HydrophobicContact CD2-CG 4.16Å; L99-M131 HydrophobicContact CD2-SD 3.72Å; L99-M131 HydrophobicContact CG-SD 3.69Å; A127-M131 WeakPolarHBondContact O-CG 3.43Å; V128-M131 HydrophobicContact CB-CE 4.01Å; V128-M131 HydrophobicContact CG1-CE 3.7Å; V128-M131 HydrophobicContact CG2-CE 4.2Å; V128-M131 WeakPolarHBondContact O-CB 3.41Å; V128-M131 PolarHBondContact O-N 3.25Å; A129-M131 PolarHBondContact O-N 3.29Å; M131-W133 VanDerWaalsContact C-N 3.26Å; M131-W133 PolarHBondContact O-N 3.24Å; M131-D135 PolarHBondContact O-N 3.15Å
132F76.3Confident74.7Confident17 Ų1742.1 Ų42.18%0.07525%0.252CS..Hα-helixtrans-69.9-21.6-180-61.9-79.7000113.5V26 I28 I102 V128 A129 S130 V142 L144V26-F132 HydrophobicContact CB-CE1 4.24Å; V26-F132 HydrophobicContact CB-CZ 4.16Å; V26-F132 HydrophobicContact CG1-CE1 4.3Å; V26-F132 HydrophobicContact CG1-CZ 3.79Å; V26-F132 HydrophobicContact CG2-CE1 3.91Å; V26-F132 HydrophobicContact CG2-CZ 4.25Å; I28-F132 HydrophobicContact CD1-CE2 4.37Å; I102-F132 HydrophobicContact CD1-CE1 4.09Å; I102-F132 HydrophobicContact CD1-CZ 3.97Å; V128-F132 HydrophobicContact CG1-CE2 4.46Å; V128-F132 WeakPolarHBondContact O-CD2 3.39Å; A129-F132 PolarHBondContact O-N 3.35Å; S130-F132 VanDerWaalsContact C-N 3.3Å; S130-F132 PolarHBondContact O-N 3.11Å; F132-V142 HydrophobicContact CD1-CG2 3.88Å; F132-V142 HydrophobicContact CE1-CG2 3.86Å; F132-L144 HydrophobicContact CD2-CB 4.25Å; F132-L144 HydrophobicContact CD2-CD1 4.3Å; F132-L144 HydrophobicContact CD2-CD2 4.44Å; F132-L144 HydrophobicContact CE2-CD1 4.18Å; F132-L144 HydrophobicContact CG-CB 4.3Å
133W72.7Confident75.2Confident65 Ų6539.8 Ų39.825%0.24624%0.237CC..Hα-helixtrans-94.5-30177.5-76.9-57.4000113.9A129 S130 M131 F230 Q314 V316 L319 E321A129-W133 HydrophobicContact CB-CZ3 4.38Å; S130-W133 PolarHBondContact O-N 3.17Å; M131-W133 VanDerWaalsContact C-N 3.26Å; M131-W133 PolarHBondContact O-N 3.24Å; W133-F230 AromaticContact CH2-CD1 3.97Å; W133-F230 HydrophobicContact CH2-CD1 3.97Å; W133-F230 AromaticContact CH2-CE1 3.56Å; W133-F230 HydrophobicContact CH2-CE1 3.56Å; W133-F230 AromaticContact CZ2-CD1 3.8Å; W133-F230 HydrophobicContact CZ2-CD1 3.8Å; W133-F230 AromaticContact CZ2-CE1 3.9Å; W133-F230 HydrophobicContact CZ2-CE1 3.9Å; W133-F230 HydrophobicContact CZ3-CE1 4.45Å; W133-Q314 HydrophobicContact CZ2-CG 4.3Å; W133-V316 HydrophobicContact CH2-CB 3.99Å; W133-V316 HydrophobicContact CH2-CG2 3.56Å; W133-V316 HydrophobicContact CZ3-CB 3.61Å; W133-V316 HydrophobicContact CZ3-CG2 3.65Å; W133-L319 HydrophobicContact CB-CD1 4.09Å; W133-E321 PolarHBondContact NE1-OE2 3.4Å
134V71.4Confident75.7Confident110 Ų11039.2 Ų39.267%0.66723%0.231SC*.Hα-helixtrans-76.7-36.2179.91750000110.8S130 L319S130-V134 WeakPolarHBondContact O-CG2 3.38Å; S130-V134 PolarHBondContact O-N 3.32Å; V134-L319 HydrophobicContact CG2-CD1 3.65Å
135D71.3Confident76.1Confident44 Ų4437.3 Ų37.324%0.23522%0.221CC..  trans-99.1103.1-174.9-161.9-48.1000111.3M131 E137 L138 G139M131-D135 PolarHBondContact O-N 3.15Å; D135-E137 VanDerWaalsContact C-N 3.26Å; D135-E137 PolarHBondContact O-N 3.2Å; D135-E137 WeakPolarHBondContact OD1-CB 3.12Å; D135-E137 PolarHBondContact OD1-N 2.82Å; D135-L138 HydrophobicContact CB-CB 4.08Å; D135-L138 HydrophobicContact CB-CD1 3.79Å; D135-L138 HydrophobicContact CB-CG 4.46Å; D135-L138 PolarHBondContact O-N 2.84Å; D135-L138 PolarHBondContact OD1-N 2.84Å; D135-L138 VanDerWaalsContact OD1-N 3.17Å; D135-G139 PolarHBondContact O-N 3.15Å
136A66.8Low76.4Confident85 Ų8537.3 Ų37.370%0.70222%0.221SC*.Hα-helixtrans-68-24.6-179.100000113.2S140A136-S140 PolarHBondContact O-N 2.78Å
137E68.1Low76.9Confident151 Ų15137.2 Ų37.271%0.70622%0.22SC*.Hα-helixtrans-72.4-46.7178.4-165.6166.6-169.800109.2D135 S140D135-E137 VanDerWaalsContact C-N 3.26Å; D135-E137 PolarHBondContact O-N 3.2Å; D135-E137 WeakPolarHBondContact OD1-CB 3.12Å; D135-E137 PolarHBondContact OD1-N 2.82Å; E137-S140 PolarHBondContact O-N 2.78Å; E137-S140 PolarHBondContact O-OG 3.43Å
138L69.6Low77.5Confident7 Ų735.4 Ų35.44%0.03721%0.205CC..Hα-helixtrans-61.5-46.8170.4-81.8151.2000112.4L99 I102 D135 S140 D141 V142L99-L138 HydrophobicContact CD2-CD1 3.42Å; L99-L138 VanDerWaalsContact CD2-CD1 3.42Å; I102-L138 HydrophobicContact CB-CD2 3.96Å; I102-L138 HydrophobicContact CG2-CD2 3.33Å; D135-L138 HydrophobicContact CB-CB 4.08Å; D135-L138 HydrophobicContact CB-CD1 3.79Å; D135-L138 HydrophobicContact CB-CG 4.46Å; D135-L138 PolarHBondContact O-N 2.84Å; D135-L138 PolarHBondContact OD1-N 2.84Å; D135-L138 VanDerWaalsContact OD1-N 3.17Å; L138-S140 PolarHBondContact O-N 3.19Å; L138-S140 VanDerWaalsContact O-N 3.11Å; L138-D141 PolarHBondContact O-N 2.73Å; L138-V142 HydrophobicContact CB-CG2 4.26Å; L138-V142 HydrophobicContact CD2-CG2 3.98Å; L138-V142 WeakPolarHBondContact O-CG2 3.32Å; L138-V142 PolarHBondContact O-N 2.86Å
139G62.3Low78.2Confident27 Ų2734.9 Ų34.928%0.27820%0.202SC..Hα-helixtrans-62.5-18.5-179.800000114.4Q23 D135Q23-G139 PolarHBondContact NE2-O 3.11Å; D135-G139 PolarHBondContact O-N 3.15Å
140S71.4Confident78.7Confident67 Ų6734.9 Ų34.947%0.46920%0.202SC..Hα-helixtrans-77.4-26.6174.276.20000113.1Q23 A136 E137 L138Q23-S140 PolarHBondContact NE2-O 3.12Å; A136-S140 PolarHBondContact O-N 2.78Å; E137-S140 PolarHBondContact O-N 2.78Å; E137-S140 PolarHBondContact O-OG 3.43Å; L138-S140 PolarHBondContact O-N 3.19Å; L138-S140 VanDerWaalsContact O-N 3.11Å
141D77.8Confident79.5Confident51 Ų5134.1 Ų34.127%0.27320%0.196SC..Hα-helixtrans-111.5-35.5-163.8-92.9-28000113.2Q23 I24 M106 K109 L138Q23-D141 WeakPolarHBondContact CA-O 3.19Å; I24-D141 PolarHBondContact N-O 2.69Å; M106-D141 HydrophobicContact CE-CB 3.6Å; K109-D141 IonicContact NZ-OD1 2.7Å; K109-D141 PolarHBondContact NZ-OD1 2.99Å; K109-D141 IonicContact NZ-OD2 2.59Å; K109-D141 PolarHBondContact NZ-OD2 3.5Å; L138-D141 PolarHBondContact O-N 2.73Å
142V82.7Confident80.2Confident1 Ų133 Ų331%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-127.4152.2178.5-62.50000109.3I24 V26 I102 M106 I115 F132 L138I24-V142 HydrophobicContact CB-CG1 4.3Å; I24-V142 VanDerWaalsContact O-CA 3.31Å; I24-V142 WeakPolarHBondContact O-CA 3.44Å; V26-V142 HydrophobicContact CG2-CB 3.88Å; V26-V142 HydrophobicContact CG2-CG1 4.32Å; V26-V142 HydrophobicContact CG2-CG2 4.43Å; I102-V142 HydrophobicContact CG2-CG1 4.35Å; I102-V142 HydrophobicContact CG2-CG2 4.46Å; M106-V142 HydrophobicContact CE-CG1 3.69Å; M106-V142 HydrophobicContact CG-CG1 4.32Å; M106-V142 HydrophobicContact SD-CG1 3.59Å; M106-V142 VanDerWaalsContact SD-CG1 3.59Å; I115-V142 HydrophobicContact CD1-CG1 3.96Å; F132-V142 HydrophobicContact CD1-CG2 3.88Å; F132-V142 HydrophobicContact CE1-CG2 3.86Å; L138-V142 HydrophobicContact CB-CG2 4.26Å; L138-V142 HydrophobicContact CD2-CG2 3.98Å; L138-V142 WeakPolarHBondContact O-CG2 3.32Å; L138-V142 PolarHBondContact O-N 2.86Å
143Y84Confident80.9Confident42 Ų4232.3 Ų32.317%0.16519%0.188CC..EExtended strand (participates in β ladder)trans-130.8149.1170.778-82.5000110.3Q23 I24 P25 V26 D145 H228 D231Q23-Y143 HydrophobicContact CB-CD1 3.64Å; Q23-Y143 HydrophobicContact CB-CE1 4.39Å; Q23-Y143 HydrophobicContact CB-CG 4.5Å; I24-Y143 PolarHBondContact O-N 3.45Å; P25-Y143 VanDerWaalsContact CA-CE1 3.49Å; P25-Y143 HydrophobicContact CB-CD1 4.44Å; P25-Y143 HydrophobicContact CB-CE1 3.66Å; P25-Y143 HydrophobicContact CB-CE2 4.34Å; P25-Y143 HydrophobicContact CG-CE1 4.25Å; V26-Y143 PolarHBondContact N-O 2.91Å; Y143-D145 HydrophobicContact CE2-CB 4.29Å; Y143-D145 PolarHBondContact O-N 2.75Å; Y143-H228 PolarHBondContact OH-CE1 2.98Å; Y143-H228 PolarHBondContact OH-ND1 3.04Å; Y143-D231 VanDerWaalsContact CE2-OD1 3.22Å; Y143-D231 WeakPolarHBondContact CE2-OD1 3.45Å
144L84.8Confident81.7Confident10 Ų1034.1 Ų34.15%0.05220%0.197CC..EExtended strand (participates in β ladder)trans-77.9111.1177.6179.662.7000109.3I28 A129 F132 F230I28-L144 HydrophobicContact CD1-CD1 3.59Å; I28-L144 HydrophobicContact CG1-CD1 3.73Å; A129-L144 HydrophobicContact CB-CD2 3.61Å; F132-L144 HydrophobicContact CD2-CB 4.25Å; F132-L144 HydrophobicContact CD2-CD1 4.3Å; F132-L144 HydrophobicContact CD2-CD2 4.44Å; F132-L144 HydrophobicContact CE2-CD1 4.18Å; F132-L144 HydrophobicContact CG-CB 4.3Å; L144-F230 HydrophobicContact CB-CG 4.48Å; L144-F230 HydrophobicContact CD2-CD1 3.98Å; L144-F230 HydrophobicContact CD2-CD2 4.22Å; L144-F230 HydrophobicContact CD2-CE1 3.52Å; L144-F230 HydrophobicContact CD2-CE2 3.79Å; L144-F230 HydrophobicContact CD2-CG 4.36Å; L144-F230 HydrophobicContact CD2-CZ 3.44Å; L144-F230 VanDerWaalsContact CD2-CZ 3.44Å; L144-F230 HydrophobicContact CG-CD1 4.4Å; L144-F230 HydrophobicContact CG-CD2 3.97Å; L144-F230 HydrophobicContact CG-CE1 4.29Å; L144-F230 HydrophobicContact CG-CE2 3.86Å; L144-F230 HydrophobicContact CG-CG 4.3Å; L144-F230 HydrophobicContact CG-CZ 4.05Å; L144-F230 VanDerWaalsContact O-CB 3.25Å; L144-F230 WeakPolarHBondContact O-CB 3.38Å; L144-F230 WeakPolarHBondContact O-CD2 3.49Å; L144-F230 WeakPolarHBondContact O-CG 3.45Å
145D85.7Confident82.5Confident0 Ų034.2 Ų34.20%019%0.187CC..EExtended strand (participates in β ladder)trans-75.5-44.1-179.1175.562.7000112.1P25 V26 T27 Y114 Y143 D226 L227 H228 S229P25-D145 HydrophobicContact CB-CB 3.94Å; V26-D145 WeakPolarHBondContact O-CB 3.47Å; V26-D145 PolarHBondContact O-N 3.27Å; T27-D145 PolarHBondContact OG1-OD2 2.82Å; T27-D145 VanDerWaalsContact OG1-OD2 3.04Å; Y114-D145 PolarHBondContact OH-OD2 3.33Å; Y143-D145 HydrophobicContact CE2-CB 4.29Å; Y143-D145 PolarHBondContact O-N 2.75Å; D145-D226 WeakPolarHBondContact OD1-CA 3.48Å; D145-D226 PolarHBondContact OD2-N 2.81Å; D145-L227 VanDerWaalsContact CG-N 3.31Å; D145-L227 PolarHBondContact OD1-N 3.37Å; D145-L227 PolarHBondContact OD2-N 2.76Å; D145-H228 PolarHBondContact OD1-N 3.1Å; D145-S229 PolarHBondContact O-N 3.2Å
146G87.4Confident83.1Confident0 Ų032.1 Ų32.10%018%0.175CC..EExtended strand (participates in β ladder)trans178160.3-17400000114.2I28I28-G146 PolarHBondContact N-O 3.46Å
147I90Very high84Confident0 Ų029.5 Ų29.50%015%0.149CC..EExtended strand (participates in β ladder)trans-107.5118.2170.8-55.9174.5000109I28 T30 P125 A129 L178 D180 L181 F230I28-I147 HydrophobicContact CB-CG1 4.38Å; I28-I147 HydrophobicContact CD1-CG1 4.37Å; T30-I147 HydrophobicContact CG2-CG2 3.98Å; P125-I147 HydrophobicContact CB-CD1 4.4Å; P125-I147 HydrophobicContact CB-CG2 4.03Å; P125-I147 HydrophobicContact CG-CG2 4.43Å; A129-I147 HydrophobicContact CB-CD1 4.24Å; I147-L178 WeakPolarHBondContact CB-O 3.46Å; I147-L178 HydrophobicContact CD1-CB 4.21Å; I147-D180 PolarHBondContact N-OD2 2.87Å; I147-D180 PolarHBondContact O-N 2.87Å; I147-L181 PolarHBondContact O-N 2.75Å; I147-F230 HydrophobicContact CD1-CZ 4.39Å; I147-F230 HydrophobicContact CG1-CZ 4.45Å
148V91.9Very high84.8Confident0 Ų029 Ų290%015%0.147CC..EExtended strand (participates in β ladder)trans-104.3118.2178179.80000109.2T27 I28 I29 T30 L181 I183 V224 L227T27-V148 HydrophobicContact CG2-CB 4.41Å; T27-V148 HydrophobicContact CG2-CG2 3.56Å; I28-V148 PolarHBondContact O-N 3.26Å; I29-V148 WeakPolarHBondContact CA-O 3.31Å; I29-V148 HydrophobicContact CG1-CB 4.4Å; T30-V148 PolarHBondContact N-O 2.99Å; V148-L181 WeakPolarHBondContact CA-O 3.35Å; V148-L181 HydrophobicContact CG1-CD2 4.08Å; V148-L181 HydrophobicContact CG1-CG 4.5Å; V148-L181 HydrophobicContact CG2-CB 4.2Å; V148-L181 HydrophobicContact CG2-CD2 4.09Å; V148-I183 HydrophobicContact CG1-CD1 3.59Å; V148-I183 HydrophobicContact CG1-CG1 4.14Å; V148-V224 HydrophobicContact CG1-CG1 4.43Å; V148-V224 HydrophobicContact CG2-CG1 4.19Å; V148-L227 HydrophobicContact CG2-CD1 3.65Å
149T92.6Very high85.5Confident2 Ų229.9 Ų29.91%0.01215%0.151CC..EExtended strand (participates in β ladder)trans-106.5118.7178.6-61.60000110.5T30 I151 Q175 V176 A179 L181 A182 I183T30-T149 HydrophobicContact CG2-CG2 4.25Å; T30-T149 WeakPolarHBondContact CG2-OG1 3.39Å; T30-T149 CarbonylContact O-C 3.47Å; T30-T149 WeakPolarHBondContact O-CA 3.35Å; T149-I151 HydrophobicContact CG2-CG1 4.09Å; T149-Q175 HydrophobicContact CG2-CB 3.96Å; T149-Q175 PolarHBondContact OG1-O 3.45Å; T149-V176 HydrophobicContact CG2-CG2 4.19Å; T149-A179 WeakPolarHBondContact OG1-CB 3.29Å; T149-L181 PolarHBondContact N-O 2.86Å; T149-A182 CarbonylContact O-C 3.44Å; T149-A182 WeakPolarHBondContact O-CA 3.47Å; T149-I183 PolarHBondContact O-N 3.4Å
150V92.8Very high86.5Confident1 Ų129.4 Ų29.41%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-91128.2174.7-169.10000109.6I29 T30 G31 A35 K37 L40 I183 N185I29-V150 HydrophobicContact CG2-CG2 4.22Å; T30-V150 PolarHBondContact O-N 3.13Å; G31-V150 VanDerWaalsContact CA-O 3.25Å; G31-V150 WeakPolarHBondContact CA-O 3.36Å; A35-V150 HydrophobicContact CB-CB 4.24Å; A35-V150 HydrophobicContact CB-CG1 4.04Å; A35-V150 VanDerWaalsContact CB-O 3.28Å; A35-V150 WeakPolarHBondContact CB-O 3.39Å; A35-V150 WeakPolarHBondContact O-CG1 3.4Å; K37-V150 HydrophobicContact CG-CB 4.28Å; K37-V150 HydrophobicContact CG-CG2 4.29Å; L40-V150 HydrophobicContact CD2-CG2 3.6Å; V150-I183 CarbonylContact C-O 3.46Å; V150-I183 WeakPolarHBondContact CA-O 3.41Å; V150-N185 HydrophobicContact CG1-CB 4.09Å
151I92.4Very high86.9Confident9 Ų932.1 Ų32.15%0.04615%0.145CC..EExtended strand (participates in β ladder)trans-122.1132-175.5-53.5174.7000108.4T149 V176 A182 I183 N185 V198 V202T149-I151 HydrophobicContact CG2-CG1 4.09Å; I151-V176 HydrophobicContact CD1-CG2 3.65Å; I151-V176 HydrophobicContact CG1-CG2 4.3Å; I151-A182 HydrophobicContact CD1-CB 4.18Å; I151-I183 PolarHBondContact N-O 3.18Å; I151-N185 PolarHBondContact O-N 2.71Å; I151-V198 HydrophobicContact CG2-CG1 4.41Å; I151-V202 HydrophobicContact CD1-CG1 4.4Å; I151-V202 HydrophobicContact CD1-CG2 3.5Å; I151-V202 VanDerWaalsContact CD1-CG2 3.5Å
152D92.5Very high87Confident3 Ų334 Ų342%0.01615%0.152CC..EExtended strand (participates in β ladder)trans-75.3123.5172.1-169.3-51.5000109.7K154 Y155 G156 K186D152-K154 VanDerWaalsContact C-N 3.29Å; D152-K154 PolarHBondContact O-N 3.18Å; D152-K154 WeakPolarHBondContact OD1-CA 3.11Å; D152-K154 WeakPolarHBondContact OD1-CB 3.45Å; D152-K154 PolarHBondContact OD1-N 3.49Å; D152-Y155 PolarHBondContact OD1-N 2.61Å; D152-Y155 VanDerWaalsContact OD1-N 3.1Å; D152-G156 WeakPolarHBondContact O-CA 3.14Å; D152-G156 PolarHBondContact O-N 3.43Å; D152-K186 WeakPolarHBondContact OD2-CD 3.37Å; D152-K186 WeakPolarHBondContact OD2-CE 3.34Å; D152-K186 IonicContact OD2-NZ 3.41Å; D152-K186 PolarHBondContact OD2-NZ 2.93Å
153A91.5Very high86.3Confident3 Ų342 Ų423%0.02519%0.19CC..THydrogen-bonded Turntrans-63.4-34.5179.700000112.7I184 N185 V190A153-I184 HydrophobicContact CB-CG2 3.74Å; A153-N185 VanDerWaalsContact CB-O 3.23Å; A153-N185 WeakPolarHBondContact CB-O 3.39Å; A153-N185 PolarHBondContact N-O 2.82Å; A153-V190 HydrophobicContact CB-CG1 4.18Å; A153-V190 HydrophobicContact CB-CG2 3.71Å
154K88.8Confident85.6Confident103 Ų10343.4 Ų43.445%0.44820%0.197SC..THydrogen-bonded Turntrans-80.9-45.2-176-177.7172.2-176.81680112.7D152 L189 V190D152-K154 VanDerWaalsContact C-N 3.29Å; D152-K154 PolarHBondContact O-N 3.18Å; D152-K154 WeakPolarHBondContact OD1-CA 3.11Å; D152-K154 WeakPolarHBondContact OD1-CB 3.45Å; D152-K154 PolarHBondContact OD1-N 3.49Å; K154-L189 HydrophobicContact CD-CB 4.31Å; K154-V190 VanDerWaalsContact CA-CG1 3.49Å; K154-V190 HydrophobicContact CB-CG1 3.84Å; K154-V190 HydrophobicContact CG-CG1 4.43Å
155Y87.8Confident84.6Confident113 Ų11346.5 Ų46.544%0.44322%0.224SC..THydrogen-bonded Turntrans-102-12.8-176-63.2-72000113.7D152 L157 Q158 Q159D152-Y155 PolarHBondContact OD1-N 2.61Å; D152-Y155 VanDerWaalsContact OD1-N 3.1Å; Y155-L157 VanDerWaalsContact C-N 3.32Å; Y155-L157 PolarHBondContact O-N 3.03Å; Y155-Q158 WeakPolarHBondContact O-CB 3.35Å; Y155-Q158 PolarHBondContact O-N 2.64Å; Y155-Q158 VanDerWaalsContact O-N 3.16Å; Y155-Q159 VanDerWaalsContact O-CG 3.3Å; Y155-Q159 WeakPolarHBondContact O-CG 3.49Å; Y155-Q159 PolarHBondContact O-N 3.18Å
156G84Confident83Confident0 Ų056.3 Ų56.30%027%0.27CS..Hα-helixtrans-62.3-36.6-175.200000113D152 Q158 Q159 L160D152-G156 WeakPolarHBondContact O-CA 3.14Å; D152-G156 PolarHBondContact O-N 3.43Å; G156-Q158 VanDerWaalsContact C-N 3.35Å; G156-Q158 PolarHBondContact O-N 2.95Å; G156-Q159 PolarHBondContact O-N 2.93Å; G156-L160 WeakPolarHBondContact O-CB 3.39Å; G156-L160 WeakPolarHBondContact O-CD1 3.45Å; G156-L160 WeakPolarHBondContact O-CG 3.22Å; G156-L160 PolarHBondContact O-N 3.36Å
157L85.6Confident81.6Confident30 Ų3059 Ų5916%0.15730%0.297CS..Hα-helixtrans-64.3-41.4176.6-168.466.1000112Y155 K161 Q197 V198 T201Y155-L157 VanDerWaalsContact C-N 3.32Å; Y155-L157 PolarHBondContact O-N 3.03Å; L157-K161 HydrophobicContact CD1-CD 4.39Å; L157-K161 HydrophobicContact CG-CD 4.18Å; L157-K161 WeakPolarHBondContact O-CB 3.39Å; L157-K161 VanDerWaalsContact O-CG 3.29Å; L157-K161 WeakPolarHBondContact O-CG 3.08Å; L157-K161 PolarHBondContact O-N 3.03Å; L157-K161 VanDerWaalsContact O-N 3.12Å; L157-Q197 HydrophobicContact CD2-CB 4.29Å; L157-V198 HydrophobicContact CB-CG2 4.03Å; L157-T201 HydrophobicContact CD1-CG2 4.27Å; L157-T201 WeakPolarHBondContact CD1-OG1 3.23Å
158Q85.8Confident80.4Confident140 Ų14064.7 Ų64.765%0.65433%0.327SS*.Hα-helixtrans-65.9-44.6176.7-176.6-178.73.400110.5Y155 G156 L160 K161 E162Y155-Q158 WeakPolarHBondContact O-CB 3.35Å; Y155-Q158 PolarHBondContact O-N 2.64Å; Y155-Q158 VanDerWaalsContact O-N 3.16Å; G156-Q158 VanDerWaalsContact C-N 3.35Å; G156-Q158 PolarHBondContact O-N 2.95Å; Q158-L160 PolarHBondContact O-N 2.84Å; Q158-K161 PolarHBondContact O-N 3.13Å; Q158-E162 PolarHBondContact O-N 3.39Å
159Q84.8Confident79.2Confident26 Ų2665.5 Ų65.512%0.12133%0.332CS..Hα-helixtrans-63-41.9178.6-69.7165-2.300111.5Y32 Y155 G156 K161 E162 N170 A172Y32-Q159 HydrophobicContact CD1-CB 4.41Å; Y32-Q159 HydrophobicContact CD1-CG 3.7Å; Y32-Q159 VanDerWaalsContact CD1-NE2 3.29Å; Y32-Q159 HydrophobicContact CE1-CG 3.84Å; Y32-Q159 HydrophobicContact CG-CG 4.33Å; Y155-Q159 VanDerWaalsContact O-CG 3.3Å; Y155-Q159 WeakPolarHBondContact O-CG 3.49Å; Y155-Q159 PolarHBondContact O-N 3.18Å; G156-Q159 PolarHBondContact O-N 2.93Å; Q159-K161 VanDerWaalsContact C-N 3.32Å; Q159-K161 PolarHBondContact O-N 2.77Å; Q159-E162 WeakPolarHBondContact O-CB 3.25Å; Q159-E162 PolarHBondContact O-N 3.09Å; Q159-N170 PolarHBondContact O-ND2 3.04Å; Q159-A172 HydrophobicContact CB-CB 4.29Å
160L82.4Confident78.7Confident17 Ų1765.6 Ų65.69%0.08933%0.332CS..Hα-helixtrans-72.8-24179.4-68.6167.8000113.4G156 Q158 A172 S173 V176 T201 V202 I205G156-L160 WeakPolarHBondContact O-CB 3.39Å; G156-L160 WeakPolarHBondContact O-CD1 3.45Å; G156-L160 WeakPolarHBondContact O-CG 3.22Å; G156-L160 PolarHBondContact O-N 3.36Å; Q158-L160 PolarHBondContact O-N 2.84Å; L160-A172 HydrophobicContact CD2-CB 3.88Å; L160-S173 PolarHBondContact O-OG 3.33Å; L160-V176 HydrophobicContact CD2-CG2 3.93Å; L160-T201 HydrophobicContact CB-CG2 3.99Å; L160-T201 HydrophobicContact CD1-CG2 3.71Å; L160-T201 HydrophobicContact CG-CG2 4.46Å; L160-V202 HydrophobicContact CD1-CG2 4.27Å; L160-I205 HydrophobicContact CD2-CD1 3.9Å
161K80.4Confident78.2Confident124 Ų12467.9 Ų67.954%0.53934%0.343SS..THydrogen-bonded Turntrans-92.6-3.4176.5-71.3179.3179.5176.80113.5L157 Q158 Q159 E163L157-K161 HydrophobicContact CD1-CD 4.39Å; L157-K161 HydrophobicContact CG-CD 4.18Å; L157-K161 WeakPolarHBondContact O-CB 3.39Å; L157-K161 VanDerWaalsContact O-CG 3.29Å; L157-K161 WeakPolarHBondContact O-CG 3.08Å; L157-K161 PolarHBondContact O-N 3.03Å; L157-K161 VanDerWaalsContact O-N 3.12Å; Q158-K161 PolarHBondContact O-N 3.13Å; Q159-K161 VanDerWaalsContact C-N 3.32Å; Q159-K161 PolarHBondContact O-N 2.77Å; K161-E163 PolarHBondContact O-N 2.98Å; K161-E163 VanDerWaalsContact O-N 3.09Å
162E79.9Confident77.9Confident89 Ų8967.7 Ų67.742%0.41634%0.343SS..  trans-63.4114.5179-172.8179.6174.600109.6Q158 Q159 N170Q158-E162 PolarHBondContact O-N 3.39Å; Q159-E162 WeakPolarHBondContact O-CB 3.25Å; Q159-E162 PolarHBondContact O-N 3.09Å; E162-N170 PolarHBondContact O-ND2 2.87Å
163E67.5Low77.6Confident170 Ų17067.7 Ų67.779%0.79434%0.343SS*.PPolyproline II helixtrans-80120.8175.7-70-177.3169.800109.3K161K161-E163 PolarHBondContact O-N 2.98Å; K161-E163 VanDerWaalsContact O-N 3.09Å
164K69.1Low77.4Confident72 Ų7270.5 Ų70.531%0.31335%0.353SS..PPolyproline II helixtrans-92.3161.2170.2-67.2-148.7167.4-172.30110.5L168 E171K164-L168 HydrophobicContact CB-CB 4.12Å; K164-E171 WeakPolarHBondContact CE-OE2 3.5Å; K164-E171 IonicContact NZ-OE1 2.74Å; K164-E171 PolarHBondContact NZ-OE1 3.45Å; K164-E171 IonicContact NZ-OE2 2.7Å; K164-E171 PolarHBondContact NZ-OE2 2.79Å
165A63.8Low77.3Confident75 Ų7565.8 Ų65.862%0.6233%0.332SS*.SBendtrans-48.6148.6175.900000111.8G167 L168A165-G167 PolarHBondContact O-N 3.13Å; A165-G167 VanDerWaalsContact O-N 3.17Å; A165-L168 PolarHBondContact O-N 3.07Å; A165-L168 VanDerWaalsContact O-N 3.1Å
166E52.5Low77.4Confident206 Ų20660.5 Ų60.596%0.96331%0.312SS*.THydrogen-bonded Turntrans-46.1120.5-172.4-72.5-176166.700112.5
167G57.4Low77.6Confident56 Ų5660.5 Ų60.558%0.57731%0.312SS*.THydrogen-bonded Turntrans102.3-19.9176.200000115.5A165A165-G167 PolarHBondContact O-N 3.13Å; A165-G167 VanDerWaalsContact O-N 3.17Å
168L64.7Low77.7Confident119 Ų11959 Ų5962%0.62330%0.304SS*.PPolyproline II helixtrans-88.3134.3177.7-68.2174.4000112K164 A165K164-L168 HydrophobicContact CB-CB 4.12Å; A165-L168 PolarHBondContact O-N 3.07Å; A165-L168 VanDerWaalsContact O-N 3.1Å
169V67.6Low77.8Confident17 Ų1752.4 Ų52.410%0.10327%0.274CS..PPolyproline II helixtrans-85.7132.2173.4-178.50000108E171 R174 I256 I296 K343V169-E171 PolarHBondContact O-N 2.87Å; V169-R174 HydrophobicContact CG1-CB 4.23Å; V169-I256 HydrophobicContact CG1-CD1 3.48Å; V169-I256 VanDerWaalsContact CG1-CD1 3.48Å; V169-I256 HydrophobicContact CG1-CG1 3.82Å; V169-I296 HydrophobicContact CG1-CD1 4.5Å; V169-K343 HydrophobicContact CG2-CD 4.47Å
170N81.9Confident77.9Confident4 Ų451.8 Ų51.82%0.02127%0.271CS..PPolyproline II helixtrans-56.4129.7172.6-176-32.1000110.9Q159 E162 A172 S173 R174Q159-N170 PolarHBondContact O-ND2 3.04Å; E162-N170 PolarHBondContact O-ND2 2.87Å; N170-A172 VanDerWaalsContact C-N 3.31Å; N170-A172 PolarHBondContact O-N 2.79Å; N170-A172 WeakPolarHBondContact OD1-CB 3.32Å; N170-A172 PolarHBondContact OD1-N 3.44Å; N170-S173 PolarHBondContact O-N 3.3Å; N170-R174 PolarHBondContact O-N 3.03Å
171E82.3Confident78.3Confident49 Ų4951 Ų5123%0.22927%0.267CS..Hα-helixtrans-59.9-41-177.8-64.781.2172.800111.3L122 K164 V169 S173 R174 Q175L122-E171 HydrophobicContact CD2-CG 4.45Å; K164-E171 WeakPolarHBondContact CE-OE2 3.5Å; K164-E171 IonicContact NZ-OE1 2.74Å; K164-E171 PolarHBondContact NZ-OE1 3.45Å; K164-E171 IonicContact NZ-OE2 2.7Å; K164-E171 PolarHBondContact NZ-OE2 2.79Å; V169-E171 PolarHBondContact O-N 2.87Å; E171-S173 PolarHBondContact O-N 3.2Å; E171-R174 PolarHBondContact O-N 2.97Å; E171-Q175 WeakPolarHBondContact O-CB 3.4Å; E171-Q175 VanDerWaalsContact O-CG 3.26Å; E171-Q175 WeakPolarHBondContact O-CG 3.15Å; E171-Q175 PolarHBondContact O-N 3.32Å
172A85.5Confident78.9Confident5 Ų545.1 Ų45.14%0.04124%0.241CC..Hα-helixtrans-62.8-44.8177.400000110.9Y32 Q159 L160 N170 R174 Q175 V176Y32-A172 HydrophobicContact CD2-CB 3.99Å; Y32-A172 HydrophobicContact CE2-CB 4.5Å; Q159-A172 HydrophobicContact CB-CB 4.29Å; L160-A172 HydrophobicContact CD2-CB 3.88Å; N170-A172 VanDerWaalsContact C-N 3.31Å; N170-A172 PolarHBondContact O-N 2.79Å; N170-A172 WeakPolarHBondContact OD1-CB 3.32Å; N170-A172 PolarHBondContact OD1-N 3.44Å; A172-R174 VanDerWaalsContact C-N 3.32Å; A172-R174 PolarHBondContact O-N 3Å; A172-Q175 PolarHBondContact O-N 2.79Å; A172-V176 WeakPolarHBondContact O-CG2 3.33Å; A172-V176 PolarHBondContact O-N 2.82Å
173S86.6Confident79.5Confident4 Ų440.9 Ų40.93%0.02822%0.221CC..Hα-helixtrans-64.9-37.9177.7-57.70000111.6L160 N170 E171 V176 A177 I256L160-S173 PolarHBondContact O-OG 3.33Å; N170-S173 PolarHBondContact O-N 3.3Å; E171-S173 PolarHBondContact O-N 3.2Å; S173-V176 PolarHBondContact O-N 3.36Å; S173-A177 WeakPolarHBondContact O-CB 3.27Å; S173-A177 PolarHBondContact O-N 3.03Å; S173-I256 VanDerWaalsContact C-CD1 3.46Å; S173-I256 WeakPolarHBondContact O-CD1 3.39Å
174R86.1Confident80.7Confident62 Ų6232.8 Ų32.823%0.23418%0.184CC..Hα-helixtrans-65.8-43.9175.6-173.8-174.9-64.7-123-7.6112D124 V169 N170 E171 A172 V176 A177 L178 I296 H317D124-R174 VanDerWaalsContact CG-CD 3.46Å; D124-R174 WeakPolarHBondContact OD1-CD 3.46Å; D124-R174 WeakPolarHBondContact OD2-CD 3.38Å; D124-R174 IonicContact OD2-CZ 2.84Å; D124-R174 IonicContact OD2-NE 2.82Å; D124-R174 IonicContact OD2-NH1 3.6Å; D124-R174 PolarHBondContact OD2-NH1 3.27Å; V169-R174 HydrophobicContact CG1-CB 4.23Å; N170-R174 PolarHBondContact O-N 3.03Å; E171-R174 PolarHBondContact O-N 2.97Å; A172-R174 VanDerWaalsContact C-N 3.32Å; A172-R174 PolarHBondContact O-N 3Å; R174-V176 VanDerWaalsContact C-N 3.29Å; R174-V176 PolarHBondContact O-N 2.81Å; R174-A177 WeakPolarHBondContact O-CB 3.05Å; R174-A177 PolarHBondContact O-N 2.87Å; R174-L178 HydrophobicContact CG-CD1 4Å; R174-L178 PolarHBondContact O-N 2.89Å; R174-L178 VanDerWaalsContact O-N 3.09Å; R174-I296 HydrophobicContact CG-CG2 4.38Å; R174-H317 PolarHBondContact NH1-NE2 2.83Å
175Q88.5Confident81.8Confident3 Ų329.5 Ų29.51%0.01417%0.17CC..Hα-helixtrans-60.4-39.2176-73.9167.3-4.500111.5T30 G121 A123 P125 T149 E171 A172 A179T30-Q175 HydrophobicContact CG2-CB 4.15Å; T30-Q175 HydrophobicContact CG2-CG 4.17Å; G121-Q175 PolarHBondContact O-NE2 2.82Å; A123-Q175 PolarHBondContact O-NE2 2.98Å; P125-Q175 HydrophobicContact CG-CG 4.31Å; T149-Q175 HydrophobicContact CG2-CB 3.96Å; T149-Q175 PolarHBondContact OG1-O 3.45Å; E171-Q175 WeakPolarHBondContact O-CB 3.4Å; E171-Q175 VanDerWaalsContact O-CG 3.26Å; E171-Q175 WeakPolarHBondContact O-CG 3.15Å; E171-Q175 PolarHBondContact O-N 3.32Å; A172-Q175 PolarHBondContact O-N 2.79Å; Q175-A179 PolarHBondContact O-N 2.87Å
176V89.2Confident83.2Confident2 Ų228.6 Ų28.61%0.01215%0.152CC..Hα-helixtrans-69.7-38.9174.9175.50000111.9T149 I151 L160 A172 S173 R174 L178 A179 V202 I205 N206T149-V176 HydrophobicContact CG2-CG2 4.19Å; I151-V176 HydrophobicContact CD1-CG2 3.65Å; I151-V176 HydrophobicContact CG1-CG2 4.3Å; L160-V176 HydrophobicContact CD2-CG2 3.93Å; A172-V176 WeakPolarHBondContact O-CG2 3.33Å; A172-V176 PolarHBondContact O-N 2.82Å; S173-V176 PolarHBondContact O-N 3.36Å; R174-V176 VanDerWaalsContact C-N 3.29Å; R174-V176 PolarHBondContact O-N 2.81Å; V176-L178 PolarHBondContact O-N 2.96Å; V176-A179 WeakPolarHBondContact O-CB 3.43Å; V176-A179 PolarHBondContact O-N 3.02Å; V176-V202 HydrophobicContact CG1-CB 4.43Å; V176-V202 HydrophobicContact CG1-CG1 3.91Å; V176-I205 HydrophobicContact CB-CG2 4.18Å; V176-I205 HydrophobicContact CG1-CB 4.07Å; V176-I205 HydrophobicContact CG1-CD1 4.45Å; V176-I205 HydrophobicContact CG1-CG2 3.92Å; V176-N206 HydrophobicContact CG1-CB 4.35Å; V176-N206 WeakPolarHBondContact O-CB 3.44Å; V176-N206 PolarHBondContact O-ND2 2.94Å
177A87.5Confident85Confident0 Ų019.9 Ų19.90%011%0.112CC..Hα-helixtrans-61.8-32.3177.400000113.1S173 R174 I205 N206 I256 I296 I341S173-A177 WeakPolarHBondContact O-CB 3.27Å; S173-A177 PolarHBondContact O-N 3.03Å; R174-A177 WeakPolarHBondContact O-CB 3.05Å; R174-A177 PolarHBondContact O-N 2.87Å; A177-I205 HydrophobicContact CB-CG2 4.06Å; A177-N206 PolarHBondContact O-ND2 3.16Å; A177-I256 HydrophobicContact CB-CD1 4.11Å; A177-I256 HydrophobicContact CB-CG2 4.11Å; A177-I296 HydrophobicContact CB-CG2 4.36Å; A177-I341 HydrophobicContact CB-CG2 3.71Å
178L87.4Confident86.6Confident0 Ų021.1 Ų21.10%011%0.106CC..Hα-helixtrans-91.9-6.5179-70160.5000113.6P125 I147 R174 V176 I296 R297 V316P125-L178 HydrophobicContact CG-CB 4.08Å; P125-L178 HydrophobicContact CG-CD1 3.74Å; I147-L178 WeakPolarHBondContact CB-O 3.46Å; I147-L178 HydrophobicContact CD1-CB 4.21Å; R174-L178 HydrophobicContact CG-CD1 4Å; R174-L178 PolarHBondContact O-N 2.89Å; R174-L178 VanDerWaalsContact O-N 3.09Å; V176-L178 PolarHBondContact O-N 2.96Å; L178-I296 HydrophobicContact CD1-CG2 3.96Å; L178-I296 HydrophobicContact CD2-CG2 3.79Å; L178-I296 HydrophobicContact CG-CG2 3.7Å; L178-R297 HydrophobicContact CD2-CB 4.31Å; L178-R297 PolarHBondContact O-NH1 2.83Å; L178-V316 HydrophobicContact CD2-CG1 3.73Å; L178-V316 HydrophobicContact CD2-CG2 4.33Å
179A89.4Confident87.8Confident1 Ų119.7 Ų19.71%0.00810%0.099CC..  trans-68.5135.5-178.400000111.8T149 Q175 V176 N206 V209 R297T149-A179 WeakPolarHBondContact OG1-CB 3.29Å; Q175-A179 PolarHBondContact O-N 2.87Å; V176-A179 WeakPolarHBondContact O-CB 3.43Å; V176-A179 PolarHBondContact O-N 3.02Å; A179-N206 PolarHBondContact O-ND2 3.39Å; A179-V209 HydrophobicContact CB-CG2 3.83Å; A179-R297 VanDerWaalsContact C-NH1 3.28Å; A179-R297 PolarHBondContact O-NH1 3.21Å
180D86.8Confident89Confident12 Ų1219.8 Ų19.86%0.06410%0.099CC..SBendtrans-88.2-33.4160.8-66.8-68.2000110.9I147 K210 S229 F230 R297 K299I147-D180 PolarHBondContact N-OD2 2.87Å; I147-D180 PolarHBondContact O-N 2.87Å; D180-K210 PolarHBondContact O-N 2.83Å; D180-S229 WeakPolarHBondContact OD1-CB 3.16Å; D180-F230 WeakPolarHBondContact OD2-CE2 3.42Å; D180-R297 IonicContact OD1-CZ 3.59Å; D180-R297 IonicContact OD1-NH1 3.52Å; D180-R297 PolarHBondContact OD1-NH1 3.14Å; D180-R297 IonicContact OD1-NH2 3.54Å; D180-R297 PolarHBondContact OD1-NH2 2.76Å; D180-R297 IonicContact OD2-CZ 2.76Å; D180-R297 IonicContact OD2-NH1 2.74Å; D180-R297 PolarHBondContact OD2-NH1 2.84Å; D180-R297 IonicContact OD2-NH2 3.79Å; D180-R297 PolarHBondContact OD2-NH2 3.29Å; D180-K299 IonicContact OD1-NZ 2.75Å; D180-K299 PolarHBondContact OD1-NZ 3.24Å
181L90.4Very high89.5Confident1 Ų126.6 Ų26.61%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-128.3128.3175.7-176.670.6000110I147 V148 T149 I183 K210 L212 D223 V224 L227I147-L181 PolarHBondContact O-N 2.75Å; V148-L181 WeakPolarHBondContact CA-O 3.35Å; V148-L181 HydrophobicContact CG1-CD2 4.08Å; V148-L181 HydrophobicContact CG1-CG 4.5Å; V148-L181 HydrophobicContact CG2-CB 4.2Å; V148-L181 HydrophobicContact CG2-CD2 4.09Å; T149-L181 PolarHBondContact N-O 2.86Å; L181-I183 HydrophobicContact CD2-CD1 4.16Å; L181-I183 HydrophobicContact CD2-CG1 4.12Å; L181-I183 HydrophobicContact CG-CG1 4.24Å; L181-K210 HydrophobicContact CD1-CB 3.82Å; L181-K210 HydrophobicContact CD1-CD 3.94Å; L181-K210 HydrophobicContact CD1-CG 3.81Å; L181-L212 HydrophobicContact CD1-CD1 3.75Å; L181-L212 HydrophobicContact CD1-CG 3.89Å; L181-L212 HydrophobicContact CD2-CD1 4.17Å; L181-L212 HydrophobicContact CG-CD1 4.42Å; L181-D223 WeakPolarHBondContact CD2-O 3.17Å; L181-V224 HydrophobicContact CD2-CB 4.3Å; L181-V224 HydrophobicContact CD2-CG1 4.45Å; L181-V224 HydrophobicContact CD2-CG2 3.94Å; L181-L227 HydrophobicContact CB-CD1 4.05Å; L181-L227 HydrophobicContact CB-CD2 4.34Å; L181-L227 HydrophobicContact CD2-CD2 4.37Å
182A91.9Very high89.9Confident0 Ų030.2 Ų30.20%015%0.148CC..EExtended strand (participates in β ladder)trans-109.1119.6171.700000109.5T149 I151 V202 V209 K210 I211 L212T149-A182 CarbonylContact O-C 3.44Å; T149-A182 WeakPolarHBondContact O-CA 3.47Å; I151-A182 HydrophobicContact CD1-CB 4.18Å; A182-V202 HydrophobicContact CB-CG1 4.03Å; A182-V209 HydrophobicContact CB-CG1 4.29Å; A182-V209 HydrophobicContact CB-CG2 3.61Å; A182-K210 PolarHBondContact N-O 3.17Å; A182-I211 HydrophobicContact CB-CG1 4.45Å; A182-I211 CarbonylContact O-C 3.52Å; A182-I211 WeakPolarHBondContact O-CA 3.47Å; A182-L212 PolarHBondContact O-N 3.11Å
183I93.6Very high90.1Very high0 Ų037.4 Ų37.40%018%0.18CC..EExtended strand (participates in β ladder)trans-102.1109.5175.7-62.2174.2000108.1L40 V148 T149 V150 I151 L181 N185 L212 T214 V219 V224L40-I183 HydrophobicContact CD1-CD1 4.35Å; L40-I183 HydrophobicContact CD2-CD1 3.73Å; V148-I183 HydrophobicContact CG1-CD1 3.59Å; V148-I183 HydrophobicContact CG1-CG1 4.14Å; T149-I183 PolarHBondContact O-N 3.4Å; V150-I183 CarbonylContact C-O 3.46Å; V150-I183 WeakPolarHBondContact CA-O 3.41Å; I151-I183 PolarHBondContact N-O 3.18Å; L181-I183 HydrophobicContact CD2-CD1 4.16Å; L181-I183 HydrophobicContact CD2-CG1 4.12Å; L181-I183 HydrophobicContact CG-CG1 4.24Å; I183-N185 PolarHBondContact O-N 3.05Å; I183-L212 CarbonylContact C-O 3.6Å; I183-L212 WeakPolarHBondContact CA-O 3.12Å; I183-T214 HydrophobicContact CG2-CG2 3.61Å; I183-T214 WeakPolarHBondContact CG2-OG1 3.15Å; I183-V219 HydrophobicContact CD1-CG1 4.39Å; I183-V219 HydrophobicContact CG2-CG1 4.45Å; I183-V224 HydrophobicContact CD1-CG2 4.04Å
184I93.6Very high90.2Very high0 Ų041.9 Ų41.90%020%0.201CC..EExtended strand (participates in β ladder)trans-83.9110.1170.5-57.7175.3000107.5A153 T187 L195 V198 I211 L212 E213 T214A153-I184 HydrophobicContact CB-CG2 3.74Å; I184-T187 HydrophobicContact CG2-CG2 4.21Å; I184-L195 HydrophobicContact CG2-CD1 3.8Å; I184-V198 HydrophobicContact CD1-CG1 4.06Å; I184-V198 HydrophobicContact CG1-CG1 4.46Å; I184-V198 HydrophobicContact CG2-CG1 4.47Å; I184-I211 HydrophobicContact CD1-CG2 3.55Å; I184-I211 HydrophobicContact CG1-CG2 4.02Å; I184-L212 PolarHBondContact N-O 3.36Å; I184-E213 HydrophobicContact CB-CG 4.31Å; I184-T214 PolarHBondContact O-N 3.2Å; I184-T214 PolarHBondContact O-OG1 3.08Å
185N92Very high90.4Very high4 Ų439.2 Ų39.22%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-104159.8-177-170.426.1000111.5A35 V150 I151 A153 I183 T214 R216 S217A35-N185 PolarHBondContact O-ND2 2.79Å; V150-N185 HydrophobicContact CG1-CB 4.09Å; I151-N185 PolarHBondContact O-N 2.71Å; A153-N185 VanDerWaalsContact CB-O 3.23Å; A153-N185 WeakPolarHBondContact CB-O 3.39Å; A153-N185 PolarHBondContact N-O 2.82Å; I183-N185 PolarHBondContact O-N 3.05Å; N185-T214 CarbonylContact C-O 3.56Å; N185-T214 WeakPolarHBondContact CA-O 3.48Å; N185-T214 WeakPolarHBondContact CA-OG1 3.42Å; N185-T214 PolarHBondContact OD1-OG1 3.25Å; N185-R216 PolarHBondContact OD1-N 3.15Å; N185-S217 PolarHBondContact ND2-OG 2.79Å; N185-S217 PolarHBondContact OD1-N 3.3Å
186K91.9Very high90.4Very high55 Ų5542 Ų4224%0.23921%0.206CC..  trans64.537.5-178.9-45.2-179.3-169.8169.70113.1G34 D152 D188 L189 T214G34-K186 WeakPolarHBondContact O-CE 3.29Å; G34-K186 PolarHBondContact O-NZ 2.82Å; D152-K186 WeakPolarHBondContact OD2-CD 3.37Å; D152-K186 WeakPolarHBondContact OD2-CE 3.34Å; D152-K186 IonicContact OD2-NZ 3.41Å; D152-K186 PolarHBondContact OD2-NZ 2.93Å; K186-D188 VanDerWaalsContact CA-OD1 3.31Å; K186-D188 WeakPolarHBondContact CA-OD1 3.33Å; K186-D188 PolarHBondContact O-N 2.92Å; K186-D188 VanDerWaalsContact O-N 3.13Å; K186-L189 HydrophobicContact CB-CD1 3.96Å; K186-L189 HydrophobicContact CB-CG 4.21Å; K186-L189 HydrophobicContact CD-CD1 4.03Å; K186-L189 PolarHBondContact O-N 2.99Å; K186-T214 PolarHBondContact N-O 2.9Å; K186-T214 VanDerWaalsContact N-O 3.13Å
187T90.8Very high90.4Very high23 Ų2346.3 Ų46.314%0.14123%0.226CC..G310 helixtrans-62.5-17.2176.459.60000112.7I184 L189 L195 E213 T214 Q215I184-T187 HydrophobicContact CG2-CG2 4.21Å; T187-L189 PolarHBondContact O-N 3Å; T187-L195 HydrophobicContact CG2-CD1 3.9Å; T187-L195 HydrophobicContact CG2-CD2 4.43Å; T187-E213 HydrophobicContact CG2-CB 4.1Å; T187-E213 HydrophobicContact CG2-CG 4.26Å; T187-T214 PolarHBondContact N-O 2.83Å; T187-T214 PolarHBondContact OG1-O 3.03Å; T187-Q215 WeakPolarHBondContact OG1-CG 3.31Å
188D91.1Very high90.5Very high83 Ų8346.4 Ų46.444%0.44423%0.227SC..G310 helixtrans-68.3-13.7172.658.2-64.6000114.5K186 Q215K186-D188 VanDerWaalsContact CA-OD1 3.31Å; K186-D188 WeakPolarHBondContact CA-OD1 3.33Å; K186-D188 PolarHBondContact O-N 2.92Å; K186-D188 VanDerWaalsContact O-N 3.13Å; D188-Q215 HydrophobicContact CB-CG 4.18Å
189L90.4Very high90.5Very high89 Ų8949 Ų4947%0.46624%0.237SC..G310 helixtrans-100.8-1-176.2-60.1-176.2000114.4K154 K186 T187K154-L189 HydrophobicContact CD-CB 4.31Å; K186-L189 HydrophobicContact CB-CD1 3.96Å; K186-L189 HydrophobicContact CB-CG 4.21Å; K186-L189 HydrophobicContact CD-CD1 4.03Å; K186-L189 PolarHBondContact O-N 2.99Å; T187-L189 PolarHBondContact O-N 3Å
190V92.2Very high90.5Very high19 Ų1952.5 Ų52.512%0.11526%0.255CS..SBendtrans-132.4154.7-173.8-65.20000111.4A153 K154 E194 L195A153-V190 HydrophobicContact CB-CG1 4.18Å; A153-V190 HydrophobicContact CB-CG2 3.71Å; K154-V190 VanDerWaalsContact CA-CG1 3.49Å; K154-V190 HydrophobicContact CB-CG1 3.84Å; K154-V190 HydrophobicContact CG-CG1 4.43Å; V190-E194 HydrophobicContact CB-CB 4.26Å; V190-L195 HydrophobicContact CG2-CB 4.3Å
191E92.6Very high90.5Very high147 Ų14752.5 Ų52.569%0.68726%0.255SS*.  trans-80.1158.7172.7-62.5-64.7155.700111.1E193 E194 L195E191-E193 PolarHBondContact O-N 3.26Å; E191-E193 VanDerWaalsContact O-N 3.17Å; E191-E194 PolarHBondContact O-N 3.43Å; E191-E194 VanDerWaalsContact O-N 3.07Å; E191-L195 PolarHBondContact O-N 3.23Å
192E90.2Very high90.3Very high124 Ų12452.4 Ų52.458%0.57926%0.255SS*.Hα-helixtrans-56-33.7179-78.2-68.6159.800113L195 N196E192-L195 PolarHBondContact O-N 3.29Å; E192-N196 WeakPolarHBondContact O-CB 3.32Å; E192-N196 VanDerWaalsContact O-CG 3.27Å; E192-N196 PolarHBondContact O-N 3.32Å; E192-N196 PolarHBondContact O-ND2 3.45Å
193E89.6Confident90.1Very high156 Ų15658.5 Ų58.573%0.72928%0.278SS*.Hα-helixtrans-65.2-42.9177.2-67.2-176.8-179.400112.2E191 N196 Q197E191-E193 PolarHBondContact O-N 3.26Å; E191-E193 VanDerWaalsContact O-N 3.17Å; E193-N196 PolarHBondContact O-N 3.34Å; E193-Q197 WeakPolarHBondContact O-CG 3.36Å; E193-Q197 PolarHBondContact O-N 2.97Å
194E88.6Confident89.7Confident99 Ų9959.6 Ų59.646%0.46329%0.286SS..Hα-helixtrans-69.7-40.3177.8-65-175.7149.600111V190 E191 N196 Q197 V198V190-E194 HydrophobicContact CB-CB 4.26Å; E191-E194 PolarHBondContact O-N 3.43Å; E191-E194 VanDerWaalsContact O-N 3.07Å; E194-N196 VanDerWaalsContact C-N 3.32Å; E194-N196 PolarHBondContact O-N 3.09Å; E194-Q197 WeakPolarHBondContact O-CB 3.38Å; E194-Q197 PolarHBondContact O-N 2.84Å; E194-Q197 VanDerWaalsContact O-N 3.13Å; E194-V198 PolarHBondContact O-N 2.78Å
195L89.9Confident89.2Confident6 Ų659.8 Ų59.83%0.03129%0.286CS..Hα-helixtrans-59.6-43.7175.9-175.962.3000111.5I184 T187 V190 E191 E192 Q197 V198 R199 E213I184-L195 HydrophobicContact CG2-CD1 3.8Å; T187-L195 HydrophobicContact CG2-CD1 3.9Å; T187-L195 HydrophobicContact CG2-CD2 4.43Å; V190-L195 HydrophobicContact CG2-CB 4.3Å; E191-L195 PolarHBondContact O-N 3.23Å; E192-L195 PolarHBondContact O-N 3.29Å; L195-Q197 VanDerWaalsContact C-N 3.33Å; L195-Q197 PolarHBondContact O-N 2.83Å; L195-V198 PolarHBondContact O-N 3.39Å; L195-R199 WeakPolarHBondContact O-CB 3.25Å; L195-R199 PolarHBondContact O-N 3.31Å; L195-E213 HydrophobicContact CD1-CG 4.44Å
196N89.4Confident88.9Confident61 Ų6159.7 Ų59.733%0.32629%0.286SS..Hα-helixtrans-61.2-40.6174.9-76.4-50.1000111.8E192 E193 E194 V198 R199 D200E192-N196 WeakPolarHBondContact O-CB 3.32Å; E192-N196 VanDerWaalsContact O-CG 3.27Å; E192-N196 PolarHBondContact O-N 3.32Å; E192-N196 PolarHBondContact O-ND2 3.45Å; E193-N196 PolarHBondContact O-N 3.34Å; E194-N196 VanDerWaalsContact C-N 3.32Å; E194-N196 PolarHBondContact O-N 3.09Å; N196-V198 PolarHBondContact O-N 2.83Å; N196-R199 PolarHBondContact O-N 3.26Å; N196-R199 PolarHBondContact OD1-NH1 3.45Å; N196-D200 WeakPolarHBondContact O-CB 3.42Å; N196-D200 VanDerWaalsContact O-CG 3.25Å; N196-D200 PolarHBondContact O-N 3.15Å
197Q88.8Confident88.3Confident93 Ų9358.2 Ų58.244%0.43529%0.287SS..Hα-helixtrans-64.1-38.6175.9-69176.523.200113.2L157 E193 E194 L195 T201L157-Q197 HydrophobicContact CD2-CB 4.29Å; E193-Q197 WeakPolarHBondContact O-CG 3.36Å; E193-Q197 PolarHBondContact O-N 2.97Å; E194-Q197 WeakPolarHBondContact O-CB 3.38Å; E194-Q197 PolarHBondContact O-N 2.84Å; E194-Q197 VanDerWaalsContact O-N 3.13Å; L195-Q197 VanDerWaalsContact C-N 3.33Å; L195-Q197 PolarHBondContact O-N 2.83Å; Q197-T201 VanDerWaalsContact O-CB 3.24Å; Q197-T201 WeakPolarHBondContact O-CB 3.38Å; Q197-T201 PolarHBondContact O-N 2.68Å; Q197-T201 PolarHBondContact O-OG1 3.36Å
198V88.9Confident87.7Confident1 Ų158.1 Ų58.11%0.00629%0.285CS..Hα-helixtrans-65.3-46.6174.1175.80000109.7I151 L157 I184 E194 L195 N196 D200 T201 V202I151-V198 HydrophobicContact CG2-CG1 4.41Å; L157-V198 HydrophobicContact CB-CG2 4.03Å; I184-V198 HydrophobicContact CD1-CG1 4.06Å; I184-V198 HydrophobicContact CG1-CG1 4.46Å; I184-V198 HydrophobicContact CG2-CG1 4.47Å; E194-V198 PolarHBondContact O-N 2.78Å; L195-V198 PolarHBondContact O-N 3.39Å; N196-V198 PolarHBondContact O-N 2.83Å; V198-D200 PolarHBondContact O-N 3.38Å; V198-T201 WeakPolarHBondContact O-CB 3.49Å; V198-T201 PolarHBondContact O-N 3.32Å; V198-T201 VanDerWaalsContact O-N 3.12Å; V198-V202 HydrophobicContact CG1-CG2 4.3Å; V198-V202 WeakPolarHBondContact O-CG2 3.46Å; V198-V202 PolarHBondContact O-N 3.23Å
199R89.4Confident87.4Confident55 Ų5554.8 Ų54.821%0.20827%0.268CS..Hα-helixtrans-58.4-47.3178.4-167.2-173-68138-7.3111.7L195 N196 T201 V202 R203 I211 E213L195-R199 WeakPolarHBondContact O-CB 3.25Å; L195-R199 PolarHBondContact O-N 3.31Å; N196-R199 PolarHBondContact O-N 3.26Å; N196-R199 PolarHBondContact OD1-NH1 3.45Å; R199-T201 VanDerWaalsContact C-N 3.29Å; R199-T201 PolarHBondContact O-N 3.32Å; R199-V202 PolarHBondContact O-N 2.65Å; R199-R203 WeakPolarHBondContact O-CB 3.32Å; R199-R203 WeakPolarHBondContact O-CG 3.33Å; R199-R203 PolarHBondContact O-N 3.32Å; R199-I211 HydrophobicContact CG-CD1 3.86Å; R199-E213 IonicContact CZ-OE1 2.86Å; R199-E213 IonicContact NE-OE1 3.21Å; R199-E213 PolarHBondContact NE-OE1 2.95Å; R199-E213 IonicContact NH2-OE1 3.4Å; R199-E213 PolarHBondContact NH2-OE1 3.05Å; R199-E213 IonicContact NH2-OE2 3.33Å; R199-E213 PolarHBondContact NH2-OE2 2.91Å
200D87.6Confident87.2Confident75 Ų7554.4 Ų54.440%0.40126%0.263SS..Hα-helixtrans-63.5-38176.9-71.6-19.1000111.4N196 V198 S204N196-D200 WeakPolarHBondContact O-CB 3.42Å; N196-D200 VanDerWaalsContact O-CG 3.25Å; N196-D200 PolarHBondContact O-N 3.15Å; V198-D200 PolarHBondContact O-N 3.38Å; D200-S204 VanDerWaalsContact O-CB 3.31Å; D200-S204 WeakPolarHBondContact O-CB 3.28Å; D200-S204 PolarHBondContact O-N 2.85Å; D200-S204 PolarHBondContact O-OG 3.33Å
201T86.8Confident87.1Confident11 Ų1155 Ų557%0.06726%0.264CS..Hα-helixtrans-66.1-45.9176.9-69.60000112.1L157 L160 Q197 V198 R199 S204 I205 K254L157-T201 HydrophobicContact CD1-CG2 4.27Å; L157-T201 WeakPolarHBondContact CD1-OG1 3.23Å; L160-T201 HydrophobicContact CB-CG2 3.99Å; L160-T201 HydrophobicContact CD1-CG2 3.71Å; L160-T201 HydrophobicContact CG-CG2 4.46Å; Q197-T201 VanDerWaalsContact O-CB 3.24Å; Q197-T201 WeakPolarHBondContact O-CB 3.38Å; Q197-T201 PolarHBondContact O-N 2.68Å; Q197-T201 PolarHBondContact O-OG1 3.36Å; V198-T201 WeakPolarHBondContact O-CB 3.49Å; V198-T201 PolarHBondContact O-N 3.32Å; V198-T201 VanDerWaalsContact O-N 3.12Å; R199-T201 VanDerWaalsContact C-N 3.29Å; R199-T201 PolarHBondContact O-N 3.32Å; T201-S204 PolarHBondContact O-N 3.35Å; T201-S204 PolarHBondContact O-OG 2.89Å; T201-I205 HydrophobicContact CG2-CD1 4.32Å; T201-I205 WeakPolarHBondContact O-CG1 3.5Å; T201-I205 PolarHBondContact O-N 2.92Å; T201-K254 VanDerWaalsContact CA-NZ 3.32Å; T201-K254 VanDerWaalsContact CG2-NZ 3.33Å; T201-K254 PolarHBondContact OG1-NZ 2.84Å
202V88Confident87Confident0 Ų049.4 Ų49.40%024%0.239CC..Hα-helixtrans-61.2-47.7176.2170.20000110.6I151 L160 V176 A182 V198 R199 S204 I205 N206 V209 I211I151-V202 HydrophobicContact CD1-CG1 4.4Å; I151-V202 HydrophobicContact CD1-CG2 3.5Å; I151-V202 VanDerWaalsContact CD1-CG2 3.5Å; L160-V202 HydrophobicContact CD1-CG2 4.27Å; V176-V202 HydrophobicContact CG1-CB 4.43Å; V176-V202 HydrophobicContact CG1-CG1 3.91Å; A182-V202 HydrophobicContact CB-CG1 4.03Å; V198-V202 HydrophobicContact CG1-CG2 4.3Å; V198-V202 WeakPolarHBondContact O-CG2 3.46Å; V198-V202 PolarHBondContact O-N 3.23Å; R199-V202 PolarHBondContact O-N 2.65Å; V202-S204 VanDerWaalsContact C-N 3.31Å; V202-S204 PolarHBondContact O-N 3.43Å; V202-I205 PolarHBondContact O-N 2.96Å; V202-I205 VanDerWaalsContact O-N 3.15Å; V202-N206 PolarHBondContact O-N 3.12Å; V202-V209 HydrophobicContact CG1-CG1 3.78Å; V202-I211 HydrophobicContact CB-CD1 4.23Å; V202-I211 HydrophobicContact CG1-CD1 3.8Å; V202-I211 HydrophobicContact CG1-CG1 4.14Å
203R87.4Confident87.1Confident128 Ų12847.4 Ų47.448%0.48323%0.23SC..Hα-helixtrans-62.9-35.1177.3-75.1-169.1173.9-179.3-1.1113.5R199 I205 N206 G207 I211R199-R203 WeakPolarHBondContact O-CB 3.32Å; R199-R203 WeakPolarHBondContact O-CG 3.33Å; R199-R203 PolarHBondContact O-N 3.32Å; R203-I205 VanDerWaalsContact C-N 3.27Å; R203-I205 PolarHBondContact O-N 3.33Å; R203-N206 CarbonylContact O-C 3.55Å; R203-G207 WeakPolarHBondContact O-CA 3.32Å; R203-G207 PolarHBondContact O-N 2.88Å; R203-I211 HydrophobicContact CG-CD1 3.64Å
204S83.9Confident87.2Confident22 Ų2240.2 Ų40.215%0.15420%0.197CC..Hα-helixtrans-67.2-3017769.60000112.9D200 T201 V202 K254D200-S204 VanDerWaalsContact O-CB 3.31Å; D200-S204 WeakPolarHBondContact O-CB 3.28Å; D200-S204 PolarHBondContact O-N 2.85Å; D200-S204 PolarHBondContact O-OG 3.33Å; T201-S204 PolarHBondContact O-N 3.35Å; T201-S204 PolarHBondContact O-OG 2.89Å; V202-S204 VanDerWaalsContact C-N 3.31Å; V202-S204 PolarHBondContact O-N 3.43Å; S204-K254 PolarHBondContact OG-NZ 3.47Å
205I84.3Confident87.2Confident4 Ų440.8 Ų40.82%0.02120%0.199CC..Hα-helixtrans-80.2-50.3177.1-65.8166.8000109.4L160 V176 A177 T201 V202 R203 I256 T258 I341L160-I205 HydrophobicContact CD2-CD1 3.9Å; V176-I205 HydrophobicContact CB-CG2 4.18Å; V176-I205 HydrophobicContact CG1-CB 4.07Å; V176-I205 HydrophobicContact CG1-CD1 4.45Å; V176-I205 HydrophobicContact CG1-CG2 3.92Å; A177-I205 HydrophobicContact CB-CG2 4.06Å; T201-I205 HydrophobicContact CG2-CD1 4.32Å; T201-I205 WeakPolarHBondContact O-CG1 3.5Å; T201-I205 PolarHBondContact O-N 2.92Å; V202-I205 PolarHBondContact O-N 2.96Å; V202-I205 VanDerWaalsContact O-N 3.15Å; R203-I205 VanDerWaalsContact C-N 3.27Å; R203-I205 PolarHBondContact O-N 3.33Å; I205-I256 HydrophobicContact CG2-CB 4.36Å; I205-I256 HydrophobicContact CG2-CG2 4.17Å; I205-T258 PolarHBondContact O-OG1 3.19Å; I205-I341 WeakPolarHBondContact O-CG2 3.32Å
206N84.8Confident87Confident2 Ų249.3 Ų49.31%0.01123%0.231CC..  trans-130.2100.7-178-174.5-12.5000110V176 A177 A179 V202 R203 L208 V209 I341V176-N206 HydrophobicContact CG1-CB 4.35Å; V176-N206 WeakPolarHBondContact O-CB 3.44Å; V176-N206 PolarHBondContact O-ND2 2.94Å; A177-N206 PolarHBondContact O-ND2 3.16Å; A179-N206 PolarHBondContact O-ND2 3.39Å; V202-N206 PolarHBondContact O-N 3.12Å; R203-N206 CarbonylContact O-C 3.55Å; N206-L208 PolarHBondContact O-N 2.98Å; N206-L208 PolarHBondContact OD1-N 2.67Å; N206-L208 VanDerWaalsContact OD1-N 3.09Å; N206-V209 HydrophobicContact CB-CB 4.18Å; N206-V209 HydrophobicContact CB-CG1 4.21Å; N206-V209 WeakPolarHBondContact O-CG1 3.43Å; N206-V209 PolarHBondContact OD1-N 3.33Å; N206-I341 HydrophobicContact CB-CD1 4.3Å; N206-I341 WeakPolarHBondContact OD1-CD1 3.37Å
207G80Confident86.7Confident25 Ų2546.4 Ų46.426%0.25822%0.216SC..THydrogen-bonded Turntrans-70-17.7-179.600000114.5R203 T258R203-G207 WeakPolarHBondContact O-CA 3.32Å; R203-G207 PolarHBondContact O-N 2.88Å; G207-T258 PolarHBondContact N-OG1 3.23Å
208L77.6Confident86.4Confident21 Ų2150.1 Ų50.111%0.1123%0.226CC..THydrogen-bonded Turntrans-96.5-8.8-174.8-65.1-179.5000114N206 K241 L242 V245 V339N206-L208 PolarHBondContact O-N 2.98Å; N206-L208 PolarHBondContact OD1-N 2.67Å; N206-L208 VanDerWaalsContact OD1-N 3.09Å; L208-K241 HydrophobicContact CD2-CB 4.35Å; L208-L242 HydrophobicContact CD2-CD2 3.88Å; L208-L242 HydrophobicContact CD2-CG 4.29Å; L208-V245 HydrophobicContact CD2-CG2 3.91Å; L208-V339 HydrophobicContact CD1-CB 3.83Å; L208-V339 HydrophobicContact CD1-CG1 3.68Å; L208-V339 HydrophobicContact CD1-CG2 3.87Å; L208-V339 HydrophobicContact CD2-CG2 4.32Å; L208-V339 HydrophobicContact CG-CG1 4.11Å; L208-V339 HydrophobicContact CG-CG2 4.37Å
209V84.7Confident86.2Confident13 Ų1350.7 Ų50.78%0.07923%0.229CC..  trans-71.6134.3-171.774.80000111.6A179 A182 V202 N206 I211A179-V209 HydrophobicContact CB-CG2 3.83Å; A182-V209 HydrophobicContact CB-CG1 4.29Å; A182-V209 HydrophobicContact CB-CG2 3.61Å; V202-V209 HydrophobicContact CG1-CG1 3.78Å; N206-V209 HydrophobicContact CB-CB 4.18Å; N206-V209 HydrophobicContact CB-CG1 4.21Å; N206-V209 WeakPolarHBondContact O-CG1 3.43Å; N206-V209 PolarHBondContact OD1-N 3.33Å; V209-I211 HydrophobicContact CG1-CD1 4.39Å; V209-I211 HydrophobicContact CG1-CG1 3.92Å
210K86.8Confident85.8Confident81 Ų8152.7 Ų52.735%0.35224%0.244SC..EExtended strand (participates in β ladder)trans-73.9126.7166.7-178.8176.5174.8-175.10107.8D180 L181 A182 D223D180-K210 PolarHBondContact O-N 2.83Å; L181-K210 HydrophobicContact CD1-CB 3.82Å; L181-K210 HydrophobicContact CD1-CD 3.94Å; L181-K210 HydrophobicContact CD1-CG 3.81Å; A182-K210 PolarHBondContact N-O 3.17Å; K210-D223 VanDerWaalsContact NZ-CG 3.26Å; K210-D223 IonicContact NZ-OD1 3.28Å; K210-D223 PolarHBondContact NZ-OD1 3.19Å; K210-D223 IonicContact NZ-OD2 2.64Å
211I89.5Confident85.3Confident30 Ų3049.8 Ų49.815%0.15423%0.228CC..EExtended strand (participates in β ladder)trans-104127.1178.7-59.5177.7000108.5A182 I184 R199 V202 R203 V209A182-I211 HydrophobicContact CB-CG1 4.45Å; A182-I211 CarbonylContact O-C 3.52Å; A182-I211 WeakPolarHBondContact O-CA 3.47Å; I184-I211 HydrophobicContact CD1-CG2 3.55Å; I184-I211 HydrophobicContact CG1-CG2 4.02Å; R199-I211 HydrophobicContact CG-CD1 3.86Å; V202-I211 HydrophobicContact CB-CD1 4.23Å; V202-I211 HydrophobicContact CG1-CD1 3.8Å; V202-I211 HydrophobicContact CG1-CG1 4.14Å; R203-I211 HydrophobicContact CG-CD1 3.64Å; V209-I211 HydrophobicContact CG1-CD1 4.39Å; V209-I211 HydrophobicContact CG1-CG1 3.92Å
212L90.9Very high84.8Confident31 Ų3154.1 Ų54.116%0.16226%0.258CS..EExtended strand (participates in β ladder)trans-118.4138.7171.6-65.2179.3000110L181 A182 I183 I184 D223L181-L212 HydrophobicContact CD1-CD1 3.75Å; L181-L212 HydrophobicContact CD1-CG 3.89Å; L181-L212 HydrophobicContact CD2-CD1 4.17Å; L181-L212 HydrophobicContact CG-CD1 4.42Å; A182-L212 PolarHBondContact O-N 3.11Å; I183-L212 CarbonylContact C-O 3.6Å; I183-L212 WeakPolarHBondContact CA-O 3.12Å; I184-L212 PolarHBondContact N-O 3.36Å; L212-D223 HydrophobicContact CD1-CB 3.85Å
213E92.7Very high84.2Confident82 Ų8256.8 Ų56.838%0.38327%0.272SS..EExtended strand (participates in β ladder)trans-109.6131.5-179.5-79.7156.2-142.400110.3I184 T187 L195 R199I184-E213 HydrophobicContact CB-CG 4.31Å; T187-E213 HydrophobicContact CG2-CB 4.1Å; T187-E213 HydrophobicContact CG2-CG 4.26Å; L195-E213 HydrophobicContact CD1-CG 4.44Å; R199-E213 IonicContact CZ-OE1 2.86Å; R199-E213 IonicContact NE-OE1 3.21Å; R199-E213 PolarHBondContact NE-OE1 2.95Å; R199-E213 IonicContact NH2-OE1 3.4Å; R199-E213 PolarHBondContact NH2-OE1 3.05Å; R199-E213 IonicContact NH2-OE2 3.33Å; R199-E213 PolarHBondContact NH2-OE2 2.91Å
214T91.6Very high83.7Confident5 Ų550.7 Ų50.73%0.03125%0.249CC..EExtended strand (participates in β ladder)trans-143.8148.6-165.467.40000112I183 I184 N185 K186 T187 V219I183-T214 HydrophobicContact CG2-CG2 3.61Å; I183-T214 WeakPolarHBondContact CG2-OG1 3.15Å; I184-T214 PolarHBondContact O-N 3.2Å; I184-T214 PolarHBondContact O-OG1 3.08Å; N185-T214 CarbonylContact C-O 3.56Å; N185-T214 WeakPolarHBondContact CA-O 3.48Å; N185-T214 WeakPolarHBondContact CA-OG1 3.42Å; N185-T214 PolarHBondContact OD1-OG1 3.25Å; K186-T214 PolarHBondContact N-O 2.9Å; K186-T214 VanDerWaalsContact N-O 3.13Å; T187-T214 PolarHBondContact N-O 2.83Å; T187-T214 PolarHBondContact OG1-O 3.03Å; T214-V219 HydrophobicContact CG2-CB 4.5Å; T214-V219 HydrophobicContact CG2-CG1 3.11Å
215Q89.3Confident83.2Confident110 Ų11049.9 Ų49.951%0.51424%0.243SC..SBendtrans-114.9126.6169.5-64.3179.2-5.300107.5T187 D188 S217 R218T187-Q215 WeakPolarHBondContact OG1-CG 3.31Å; D188-Q215 HydrophobicContact CB-CG 4.18Å; Q215-S217 PolarHBondContact O-N 3.32Å; Q215-R218 PolarHBondContact O-N 2.91Å
216R85.1Confident82.7Confident186 Ų18653 Ų5370%0.70226%0.26SS*.THydrogen-bonded Turntrans53.637.7-176.6-55.1-177.1176.6-175-1.3113.3N185 R218N185-R216 PolarHBondContact OD1-N 3.15Å; R216-R218 PolarHBondContact O-N 3.41Å; R216-R218 VanDerWaalsContact O-N 3.1Å
217S82.5Confident81.9Confident0 Ų054.1 Ų54.10%027%0.266CS..THydrogen-bonded Turntrans5722.1179.6-54.70000115G36 Y43 N185 Q215 V219G36-S217 PolarHBondContact O-OG 2.95Å; Y43-S217 WeakPolarHBondContact CD1-O 3.41Å; N185-S217 PolarHBondContact ND2-OG 2.79Å; N185-S217 PolarHBondContact OD1-N 3.3Å; Q215-S217 PolarHBondContact O-N 3.32Å; S217-V219 PolarHBondContact O-N 2.76Å
218R83.9Confident81.3Confident171 Ų17155.7 Ų55.765%0.64527%0.266SS*.  trans-78.5117.5174.7-67.4-177174.7-173.2-5109.9Y43 Q215 R216Y43-R218 HydrophobicContact CD2-CG 4.29Å; Y43-R218 HydrophobicContact CE2-CB 4.44Å; Y43-R218 HydrophobicContact CE2-CG 4.01Å; Q215-R218 PolarHBondContact O-N 2.91Å; R216-R218 PolarHBondContact O-N 3.41Å; R216-R218 VanDerWaalsContact O-N 3.1Å
219V84.1Confident80.6Confident12 Ų1255 Ų557%0.07326%0.263CS..  trans-138.5156.9-176.5-74.40000109.3L40 Y43 I183 T214 S217 L221 V224L40-V219 HydrophobicContact CD1-CG2 3.78Å; Y43-V219 HydrophobicContact CD1-CG2 4.18Å; Y43-V219 HydrophobicContact CE1-CG2 3.87Å; Y43-V219 WeakPolarHBondContact CE1-O 3.47Å; Y43-V219 PolarHBondContact OH-O 2.83Å; I183-V219 HydrophobicContact CD1-CG1 4.39Å; I183-V219 HydrophobicContact CG2-CG1 4.45Å; T214-V219 HydrophobicContact CG2-CB 4.5Å; T214-V219 HydrophobicContact CG2-CG1 3.11Å; S217-V219 PolarHBondContact O-N 2.76Å; V219-L221 HydrophobicContact CG2-CD2 4.32Å; V219-L221 PolarHBondContact O-N 2.79Å; V219-V224 HydrophobicContact CB-CG2 4.02Å; V219-V224 HydrophobicContact CG1-CG2 4.49Å; V219-V224 HydrophobicContact CG2-CG2 3.6Å
220D81Confident79.4Confident98 Ų9855.5 Ų55.552%0.52426%0.264SS..  trans-67.7122.1161.3-166.6-23.5000108.1C222 D223D220-C222 PolarHBondContact O-N 2.87Å; D220-C222 WeakPolarHBondContact OD1-CB 3.48Å; D220-C222 PolarHBondContact OD1-N 3.34Å; D220-C222 PolarHBondContact OD1-SG 3.22Å; D220-C222 VanDerWaalsContact OD1-SG 3.35Å; D220-D223 HydrophobicContact CB-CB 4.49Å; D220-D223 WeakPolarHBondContact O-CB 3.24Å; D220-D223 PolarHBondContact O-N 2.9Å
221L77.1Confident78.1Confident13 Ų1353.4 Ų53.47%0.06826%0.257CS..G310 helixtrans-67.4-22.8-179.4-66.8-174.3000112.3Y43 I44 E47 H49 V219 D223 V224 L225Y43-L221 HydrophobicContact CD1-CD2 4.09Å; Y43-L221 HydrophobicContact CE1-CD2 3.83Å; Y43-L221 HydrophobicContact CE1-CG 4.25Å; I44-L221 HydrophobicContact CB-CD2 4.32Å; I44-L221 HydrophobicContact CG1-CD2 3.6Å; E47-L221 HydrophobicContact CB-CD1 3.73Å; E47-L221 HydrophobicContact CG-CD1 4.06Å; H49-L221 HydrophobicContact CB-CB 4.48Å; H49-L221 HydrophobicContact CB-CD1 3.74Å; V219-L221 HydrophobicContact CG2-CD2 4.32Å; V219-L221 PolarHBondContact O-N 2.79Å; L221-D223 PolarHBondContact O-N 2.81Å; L221-V224 PolarHBondContact O-N 3.22Å; L221-L225 HydrophobicContact CB-CD1 4.33Å; L221-L225 WeakPolarHBondContact O-CB 3.3Å; L221-L225 WeakPolarHBondContact O-CG 3.5Å; L221-L225 PolarHBondContact O-N 2.89Å
222C75.1Confident76.3Confident103 Ų10353.9 Ų53.970%0.69626%0.262SS*.G310 helixtrans-66.2-22.5172.8-53.80000112.2D220D220-C222 PolarHBondContact O-N 2.87Å; D220-C222 WeakPolarHBondContact OD1-CB 3.48Å; D220-C222 PolarHBondContact OD1-N 3.34Å; D220-C222 PolarHBondContact OD1-SG 3.22Å; D220-C222 VanDerWaalsContact OD1-SG 3.35Å
223D76.5Confident74.3Confident56 Ų5659.6 Ų59.630%0.29929%0.288SS..G310 helixtrans-89.4-12.1178-78.2-38.4000113.4L181 K210 L212 D220 L221 L227L181-D223 WeakPolarHBondContact CD2-O 3.17Å; K210-D223 VanDerWaalsContact NZ-CG 3.26Å; K210-D223 IonicContact NZ-OD1 3.28Å; K210-D223 PolarHBondContact NZ-OD1 3.19Å; K210-D223 IonicContact NZ-OD2 2.64Å; L212-D223 HydrophobicContact CD1-CB 3.85Å; D220-D223 HydrophobicContact CB-CB 4.49Å; D220-D223 WeakPolarHBondContact O-CB 3.24Å; D220-D223 PolarHBondContact O-N 2.9Å; L221-D223 PolarHBondContact O-N 2.81Å; D223-L227 WeakPolarHBondContact O-CD2 3.34Å
224V77.1Confident72.3Confident0 Ų056.1 Ų56.10%027%0.272CS..THydrogen-bonded Turntrans-108.6-34.3-177.6-1780000112.3I44 V148 L181 I183 V219 L221I44-V224 HydrophobicContact CD1-CG1 4.43Å; V148-V224 HydrophobicContact CG1-CG1 4.43Å; V148-V224 HydrophobicContact CG2-CG1 4.19Å; L181-V224 HydrophobicContact CD2-CB 4.3Å; L181-V224 HydrophobicContact CD2-CG1 4.45Å; L181-V224 HydrophobicContact CD2-CG2 3.94Å; I183-V224 HydrophobicContact CD1-CG2 4.04Å; V219-V224 HydrophobicContact CB-CG2 4.02Å; V219-V224 HydrophobicContact CG1-CG2 4.49Å; V219-V224 HydrophobicContact CG2-CG2 3.6Å; L221-V224 PolarHBondContact O-N 3.22Å
225L73.6Confident70.4Confident4 Ų455.9 Ų55.92%0.02127%0.271CS..SBendtrans-99.2151.2177.1-54.4174.6000109.6H49 I53 Y114 L221H49-L225 HydrophobicContact CB-CD1 4.45Å; I53-L225 HydrophobicContact CD1-CD1 4.01Å; Y114-L225 HydrophobicContact CD1-CD2 4.22Å; Y114-L225 HydrophobicContact CE1-CD2 3.58Å; Y114-L225 HydrophobicContact CE2-CB 4.2Å; Y114-L225 HydrophobicContact CE2-CD2 4.44Å; Y114-L225 WeakPolarHBondContact OH-CA 2.96Å; L221-L225 HydrophobicContact CB-CD1 4.33Å; L221-L225 WeakPolarHBondContact O-CB 3.3Å; L221-L225 WeakPolarHBondContact O-CG 3.5Å; L221-L225 PolarHBondContact O-N 2.89Å
226D72.7Confident68.4Low69 Ų6953 Ų5337%0.36927%0.266SS..  trans57.947.3-176.9-58.4-17.5000112.3K51 Y114 D145 H228K51-D226 WeakPolarHBondContact CE-OD2 3.27Å; K51-D226 IonicContact NZ-OD1 3.6Å; K51-D226 PolarHBondContact NZ-OD1 2.85Å; K51-D226 IonicContact NZ-OD2 2.75Å; K51-D226 PolarHBondContact NZ-OD2 2.95Å; Y114-D226 WeakPolarHBondContact CE2-OD1 3.39Å; Y114-D226 PolarHBondContact OH-N 2.67Å; D145-D226 WeakPolarHBondContact OD1-CA 3.48Å; D145-D226 PolarHBondContact OD2-N 2.81Å; D226-H228 PolarHBondContact O-CD2 2.98Å; D226-H228 PolarHBondContact O-N 3.08Å
227L68.3Low66.9Low26 Ų2648.9 Ų48.914%0.13625%0.253CS..  trans-65.3-26176.2-73.3173.7000112.2D145 V148 L181 D223 S229D145-L227 VanDerWaalsContact CG-N 3.31Å; D145-L227 PolarHBondContact OD1-N 3.37Å; D145-L227 PolarHBondContact OD2-N 2.76Å; V148-L227 HydrophobicContact CG2-CD1 3.65Å; L181-L227 HydrophobicContact CB-CD1 4.05Å; L181-L227 HydrophobicContact CB-CD2 4.34Å; L181-L227 HydrophobicContact CD2-CD2 4.37Å; D223-L227 WeakPolarHBondContact O-CD2 3.34Å; L227-S229 PolarHBondContact O-N 3.05Å; L227-S229 PolarHBondContact O-OG 3.2Å
228H68.5Low65.7Low59 Ų5949.4 Ų49.427%0.27326%0.256SS..  trans4731.6-179-66.3-71.8000112Y143 D145 D226 F230 D231Y143-H228 PolarHBondContact OH-CE1 2.98Å; Y143-H228 PolarHBondContact OH-ND1 3.04Å; D145-H228 PolarHBondContact OD1-N 3.1Å; D226-H228 PolarHBondContact O-CD2 2.98Å; D226-H228 PolarHBondContact O-N 3.08Å; H228-F230 PolarHBondContact O-N 2.8Å; H228-D231 HydrophobicContact CB-CB 3.94Å; H228-D231 IonicContact CE1-OD2 2.71Å; H228-D231 IonicContact CG-OD2 3.48Å; H228-D231 IonicContact ND1-OD1 3.22Å; H228-D231 IonicContact ND1-OD2 3.05Å; H228-D231 PolarHBondContact ND1-OD2 3.09Å; H228-D231 WeakPolarHBondContact O-CB 3.5Å; H228-D231 PolarHBondContact O-N 3.19Å
229S61.5Low64.3Low6 Ų643.1 Ų43.14%0.04224%0.236CC..THydrogen-bonded Turntrans-79.2-6.8-168.6-72.50000113.4D145 D180 L227 K299D145-S229 PolarHBondContact O-N 3.2Å; D180-S229 WeakPolarHBondContact OD1-CB 3.16Å; L227-S229 PolarHBondContact O-N 3.05Å; L227-S229 PolarHBondContact O-OG 3.2Å; S229-K299 PolarHBondContact O-NZ 2.85Å
230F58.9Low63Low24 Ų2448.4 Ų48.411%0.10526%0.26CS..THydrogen-bonded Turntrans-114.44.7170.1-62.2-109.3000111.4W133 L144 I147 D180 H228 Q314 V316W133-F230 AromaticContact CH2-CD1 3.97Å; W133-F230 HydrophobicContact CH2-CD1 3.97Å; W133-F230 AromaticContact CH2-CE1 3.56Å; W133-F230 HydrophobicContact CH2-CE1 3.56Å; W133-F230 AromaticContact CZ2-CD1 3.8Å; W133-F230 HydrophobicContact CZ2-CD1 3.8Å; W133-F230 AromaticContact CZ2-CE1 3.9Å; W133-F230 HydrophobicContact CZ2-CE1 3.9Å; W133-F230 HydrophobicContact CZ3-CE1 4.45Å; L144-F230 HydrophobicContact CB-CG 4.48Å; L144-F230 HydrophobicContact CD2-CD1 3.98Å; L144-F230 HydrophobicContact CD2-CD2 4.22Å; L144-F230 HydrophobicContact CD2-CE1 3.52Å; L144-F230 HydrophobicContact CD2-CE2 3.79Å; L144-F230 HydrophobicContact CD2-CG 4.36Å; L144-F230 HydrophobicContact CD2-CZ 3.44Å; L144-F230 VanDerWaalsContact CD2-CZ 3.44Å; L144-F230 HydrophobicContact CG-CD1 4.4Å; L144-F230 HydrophobicContact CG-CD2 3.97Å; L144-F230 HydrophobicContact CG-CE1 4.29Å; L144-F230 HydrophobicContact CG-CE2 3.86Å; L144-F230 HydrophobicContact CG-CG 4.3Å; L144-F230 HydrophobicContact CG-CZ 4.05Å; L144-F230 VanDerWaalsContact O-CB 3.25Å; L144-F230 WeakPolarHBondContact O-CB 3.38Å; L144-F230 WeakPolarHBondContact O-CD2 3.49Å; L144-F230 WeakPolarHBondContact O-CG 3.45Å; I147-F230 HydrophobicContact CD1-CZ 4.39Å; I147-F230 HydrophobicContact CG1-CZ 4.45Å; D180-F230 WeakPolarHBondContact OD2-CE2 3.42Å; H228-F230 PolarHBondContact O-N 2.8Å; F230-Q314 HydrophobicContact CD1-CG 4.41Å; F230-Q314 VanDerWaalsContact CG-NE2 3.35Å; F230-V316 HydrophobicContact CE1-CG2 4.49Å
231D61.2Low61.9Low36 Ų3646.8 Ų46.819%0.19325%0.249CC..SBendtrans-78.9142.4177.4-75.821.6000111Y143 H228 Q233 D234 M312Y143-D231 VanDerWaalsContact CE2-OD1 3.22Å; Y143-D231 WeakPolarHBondContact CE2-OD1 3.45Å; H228-D231 HydrophobicContact CB-CB 3.94Å; H228-D231 IonicContact CE1-OD2 2.71Å; H228-D231 IonicContact CG-OD2 3.48Å; H228-D231 IonicContact ND1-OD1 3.22Å; H228-D231 IonicContact ND1-OD2 3.05Å; H228-D231 PolarHBondContact ND1-OD2 3.09Å; H228-D231 WeakPolarHBondContact O-CB 3.5Å; H228-D231 PolarHBondContact O-N 3.19Å; D231-Q233 PolarHBondContact O-N 3.2Å; D231-D234 PolarHBondContact O-N 3.33Å; D231-M312 WeakPolarHBondContact O-CE 3.46Å
232C51.1Low60.9Low40 Ų4046.7 Ų46.727%0.2725%0.248SC..THydrogen-bonded Turntrans-65.2-8.2178.5-530000113.3N323 T325C232-N323 HydrophobicContact CB-CB 4.48Å; C232-N323 WeakPolarHBondContact SG-CB 3.46Å; C232-T325 WeakPolarHBondContact O-CB 3.38Å; C232-T325 WeakPolarHBondContact O-CG2 3.35Å
233Q48.5Very low59.6Low151 Ų15148.2 Ų48.271%0.70625%0.245SC*.THydrogen-bonded Turntrans-83.7-9.3-178.9-61.8-169.13.900113.5D231 G235 P326D231-Q233 PolarHBondContact O-N 3.2Å; Q233-G235 VanDerWaalsContact C-N 3.34Å; Q233-G235 PolarHBondContact O-N 2.93Å; Q233-P326 HydrophobicContact CG-CG 4.27Å
234D51.1Low58.3Low9 Ų951.6 Ų51.65%0.04826%0.262CS..THydrogen-bonded Turntrans-87.49.2-167.4-116.823.2000115.1D231 A236 K237 L238 M312D231-D234 PolarHBondContact O-N 3.33Å; D234-A236 VanDerWaalsContact C-N 3.29Å; D234-A236 PolarHBondContact O-N 3.34Å; D234-K237 PolarHBondContact O-N 2.98Å; D234-K237 VanDerWaalsContact O-N 3.1Å; D234-K237 WeakPolarHBondContact OD1-CD 3.49Å; D234-K237 VanDerWaalsContact OD1-CE 3.31Å; D234-K237 WeakPolarHBondContact OD1-CE 3.29Å; D234-K237 IonicContact OD1-NZ 3.49Å; D234-K237 PolarHBondContact OD1-NZ 3.27Å; D234-L238 PolarHBondContact O-N 3.42Å; D234-M312 HydrophobicContact CB-CE 4.08Å
235G50.7Low57Low0 Ų053.5 Ų53.50%027%0.274CS..Hα-helixtrans-54.7-40.7179.700000113.6Q233 T239 I301Q233-G235 VanDerWaalsContact C-N 3.34Å; Q233-G235 PolarHBondContact O-N 2.93Å; G235-T239 WeakPolarHBondContact O-CB 3.48Å; G235-T239 PolarHBondContact O-N 3.41Å; G235-T239 PolarHBondContact O-OG1 3.04Å; G235-I301 WeakPolarHBondContact O-CD1 3.44Å
236A47.9Very low55.4Low50 Ų5058.2 Ų58.241%0.41330%0.303SS..Hα-helixtrans-66.3-43.1175.700000112.9D234 T239 E240D234-A236 VanDerWaalsContact C-N 3.29Å; D234-A236 PolarHBondContact O-N 3.34Å; A236-T239 WeakPolarHBondContact O-CB 3.3Å; A236-T239 PolarHBondContact O-N 2.87Å; A236-E240 PolarHBondContact O-N 3.41Å; A236-E240 VanDerWaalsContact O-N 3.1Å
237K54.6Low54Low100 Ų10060.8 Ų60.844%0.43532%0.323SS..Hα-helixtrans-69.2-36.2178.8-64.3-166.3-158131.70111.9D234 E240 K241D234-K237 PolarHBondContact O-N 2.98Å; D234-K237 VanDerWaalsContact O-N 3.1Å; D234-K237 WeakPolarHBondContact OD1-CD 3.49Å; D234-K237 VanDerWaalsContact OD1-CE 3.31Å; D234-K237 WeakPolarHBondContact OD1-CE 3.29Å; D234-K237 IonicContact OD1-NZ 3.49Å; D234-K237 PolarHBondContact OD1-NZ 3.27Å; K237-E240 PolarHBondContact O-N 2.76Å; K237-K241 WeakPolarHBondContact O-CB 3.38Å; K237-K241 WeakPolarHBondContact O-CG 3.45Å; K237-K241 PolarHBondContact O-N 3.49Å
238L57.3Low52.6Low11 Ų1163.5 Ų63.56%0.05834%0.341CS..Hα-helixtrans-61.8-44.8172.1-89.8157000110.7D234 E240 K241 L242 K299 I301 M312D234-L238 PolarHBondContact O-N 3.42Å; L238-E240 VanDerWaalsContact C-N 3.33Å; L238-E240 PolarHBondContact O-N 3.36Å; L238-K241 PolarHBondContact O-N 2.78Å; L238-L242 VanDerWaalsContact O-CB 3.29Å; L238-L242 WeakPolarHBondContact O-CB 3.49Å; L238-L242 VanDerWaalsContact O-CD1 3.27Å; L238-L242 WeakPolarHBondContact O-CD1 3.27Å; L238-L242 WeakPolarHBondContact O-CG 3.45Å; L238-L242 PolarHBondContact O-N 3.21Å; L238-K299 HydrophobicContact CD2-CB 4.4Å; L238-K299 HydrophobicContact CD2-CD 4.2Å; L238-I301 HydrophobicContact CB-CD1 3.83Å; L238-I301 HydrophobicContact CB-CG1 4.45Å; L238-M312 HydrophobicContact CD1-CE 3.79Å; L238-M312 HydrophobicContact CD1-CG 4.43Å; L238-M312 HydrophobicContact CD1-SD 4.02Å
239T53.6Low51.2Low38 Ų3870.8 Ų70.823%0.23337%0.366CS..Hα-helixtrans-58.9-43177.5-58.30000112G235 A236 Q243 R337G235-T239 WeakPolarHBondContact O-CB 3.48Å; G235-T239 PolarHBondContact O-N 3.41Å; G235-T239 PolarHBondContact O-OG1 3.04Å; A236-T239 WeakPolarHBondContact O-CB 3.3Å; A236-T239 PolarHBondContact O-N 2.87Å; T239-Q243 WeakPolarHBondContact O-CG 3.35Å; T239-Q243 PolarHBondContact O-N 3.44Å; T239-Q243 VanDerWaalsContact O-N 3.17Å; T239-R337 PolarHBondContact O-NH1 2.91Å; T239-R337 VanDerWaalsContact O-NH1 3.11Å
240E56.3Low50.2Low124 Ų12475.3 Ų75.358%0.57940%0.396SS*.Hα-helixtrans-68.3-46175.9-170.4178.6-164.100112A236 K237 L238 L242 Q243 L244A236-E240 PolarHBondContact O-N 3.41Å; A236-E240 VanDerWaalsContact O-N 3.1Å; K237-E240 PolarHBondContact O-N 2.76Å; L238-E240 VanDerWaalsContact C-N 3.33Å; L238-E240 PolarHBondContact O-N 3.36Å; E240-L242 VanDerWaalsContact C-N 3.26Å; E240-L242 PolarHBondContact O-N 3.46Å; E240-Q243 PolarHBondContact O-N 3.31Å; E240-L244 HydrophobicContact CG-CD1 4.4Å; E240-L244 WeakPolarHBondContact O-CG 3.01Å; E240-L244 PolarHBondContact O-N 3.12Å; E240-L244 VanDerWaalsContact O-N 3.15Å
241K58.8Low49.4Very low64 Ų6479.4 Ų79.428%0.27842%0.415SS..Hα-helixtrans-58.7-38.8175.7-75.4172.9-177.71780111.7L208 K237 L238 L244 V245L208-K241 HydrophobicContact CD2-CB 4.35Å; K237-K241 WeakPolarHBondContact O-CB 3.38Å; K237-K241 WeakPolarHBondContact O-CG 3.45Å; K237-K241 PolarHBondContact O-N 3.49Å; L238-K241 PolarHBondContact O-N 2.78Å; K241-L244 PolarHBondContact O-N 3.5Å; K241-V245 WeakPolarHBondContact O-CG2 3.31Å; K241-V245 PolarHBondContact O-N 2.66Å
242L56.2Low48.5Very low10 Ų1086.3 Ų86.35%0.05245%0.451CS..Hα-helixtrans-67.7-38.3178-72.2163.4000112.8L208 L238 E240 L244 V245 T260 R337 V339L208-L242 HydrophobicContact CD2-CD2 3.88Å; L208-L242 HydrophobicContact CD2-CG 4.29Å; L238-L242 VanDerWaalsContact O-CB 3.29Å; L238-L242 WeakPolarHBondContact O-CB 3.49Å; L238-L242 VanDerWaalsContact O-CD1 3.27Å; L238-L242 WeakPolarHBondContact O-CD1 3.27Å; L238-L242 WeakPolarHBondContact O-CG 3.45Å; L238-L242 PolarHBondContact O-N 3.21Å; E240-L242 VanDerWaalsContact C-N 3.26Å; E240-L242 PolarHBondContact O-N 3.46Å; L242-L244 PolarHBondContact O-N 3.38Å; L242-V245 PolarHBondContact O-N 2.91Å; L242-T260 HydrophobicContact CD2-CG2 3.87Å; L242-R337 HydrophobicContact CD1-CB 3.69Å; L242-R337 HydrophobicContact CD1-CG 4.39Å; L242-V339 HydrophobicContact CD2-CG2 3.21Å
243Q47.9Very low48.3Very low135 Ų13590.8 Ų90.863%0.63147%0.472SS*.Hα-helixtrans-66.5-29.3174.3-73.1174.23.900112.3T239 E240T239-Q243 WeakPolarHBondContact O-CG 3.35Å; T239-Q243 PolarHBondContact O-N 3.44Å; T239-Q243 VanDerWaalsContact O-N 3.17Å; E240-Q243 PolarHBondContact O-N 3.31Å
244L48.3Very low48.7Very low127 Ų12786.2 Ų86.267%0.66545%0.45SS*.Hα-helixtrans-80.6-14177.2-67.1167.2000113.3E240 K241 L242 T246E240-L244 HydrophobicContact CG-CD1 4.4Å; E240-L244 WeakPolarHBondContact O-CG 3.01Å; E240-L244 PolarHBondContact O-N 3.12Å; E240-L244 VanDerWaalsContact O-N 3.15Å; K241-L244 PolarHBondContact O-N 3.5Å; L242-L244 PolarHBondContact O-N 3.38Å; L244-T246 PolarHBondContact O-N 3.06Å
245V49.7Very low49.4Very low40 Ų4087.9 Ų87.924%0.24246%0.462CS..  trans-71.381.3171.7-172.30000108.7L208 K241 L242L208-V245 HydrophobicContact CD2-CG2 3.91Å; K241-V245 WeakPolarHBondContact O-CG2 3.31Å; K241-V245 PolarHBondContact O-N 2.66Å; L242-V245 PolarHBondContact O-N 2.91Å
246T40.7Very low50.7Low104 Ų10488 Ų8864%0.63846%0.463SS*.  trans-61.9138.7164.2-43.90000106.9L244 T248L244-T246 PolarHBondContact O-N 3.06Å; T246-T248 PolarHBondContact O-N 3.39Å; T246-T248 PolarHBondContact O-OG1 3.46Å
247P42.9Very low52.3Low122 Ų12288.1 Ų88.179%0.79246%0.456SS*.  trans-65.286175.526.1-33.7000109.3R249P247-R249 PolarHBondContact O-N 3.17Å
248T38.7Very low53.6Low83 Ų8385.1 Ų85.151%0.50945%0.446SS..  trans-64.9129.3170.4-10.60000106.7T246T246-T248 PolarHBondContact O-N 3.39Å; T246-T248 PolarHBondContact O-OG1 3.46Å
249R40.2Very low54.9Low212 Ų21284.9 Ų84.980%0.845%0.446SS*.  trans-49.3130-177.2-67.1176.6178.3176.4-0.5109.2P247 H251P247-R249 PolarHBondContact O-N 3.17Å; R249-H251 PolarHBondContact O-N 2.99Å
250P39.6Very low56.3Low102 Ų10284.2 Ų84.266%0.66244%0.442SS*.  trans-61.6108.4169.924.5-30.2000106.9L252P250-L252 PolarHBondContact O-N 3.09Å
251H42.9Very low57.5Low110 Ų11078.5 Ų78.551%0.50942%0.415SS..  trans-64.5118.8162.7-74.4-83.5000105.7R249 D253R249-H251 PolarHBondContact O-N 2.99Å; H251-D253 PolarHBondContact O-N 2.74Å
252L41.8Very low58.6Low180 Ų18079.7 Ų79.794%0.94242%0.422SS*.SBendtrans-58.812.1-166.3-81135.3000116.5P250P250-L252 PolarHBondContact O-N 3.09Å
253D46.6Very low59.8Low135 Ų13579.7 Ų79.772%0.72242%0.422SS*.  trans-141.237.3-156.2-147.118.2000113.1H251H251-D253 PolarHBondContact O-N 2.74Å
254K56.4Low61.4Low54 Ų5476.5 Ų76.524%0.23541%0.412CS..  trans-134.7132.7-175.1-65.6-171.3-178.5177.30113.4T201 S204 I256T201-K254 VanDerWaalsContact CA-NZ 3.32Å; T201-K254 VanDerWaalsContact CG2-NZ 3.33Å; T201-K254 PolarHBondContact OG1-NZ 2.84Å; S204-K254 PolarHBondContact OG-NZ 3.47Å; K254-I256 VanDerWaalsContact C-N 3.27Å; K254-I256 PolarHBondContact O-N 2.98Å
255S66.4Low62.9Low45 Ų4571.1 Ų71.132%0.31539%0.387SS..SBendtrans-70.6-16.9179.254.70000114K343S255-K343 VanDerWaalsContact O-CA 3.24Å; S255-K343 WeakPolarHBondContact O-CA 3.47Å; S255-K343 WeakPolarHBondContact O-CB 3.21Å; S255-K343 WeakPolarHBondContact O-CG 3.45Å
256I78Confident64.3Low2 Ų272.2 Ų72.21%0.0139%0.392CS..  trans-128.7132.7176.1-52.1176.4000109.1V169 S173 A177 I205 K254 I296 I341 G342V169-I256 HydrophobicContact CG1-CD1 3.48Å; V169-I256 VanDerWaalsContact CG1-CD1 3.48Å; V169-I256 HydrophobicContact CG1-CG1 3.82Å; S173-I256 VanDerWaalsContact C-CD1 3.46Å; S173-I256 WeakPolarHBondContact O-CD1 3.39Å; A177-I256 HydrophobicContact CB-CD1 4.11Å; A177-I256 HydrophobicContact CB-CG2 4.11Å; I205-I256 HydrophobicContact CG2-CB 4.36Å; I205-I256 HydrophobicContact CG2-CG2 4.17Å; K254-I256 VanDerWaalsContact C-N 3.27Å; K254-I256 PolarHBondContact O-N 2.98Å; I256-I296 HydrophobicContact CD1-CD1 3.75Å; I256-I296 HydrophobicContact CG1-CD1 4.09Å; I256-I296 HydrophobicContact CG2-CD1 4.34Å; I256-I341 HydrophobicContact CG2-CG2 3.78Å; I256-G342 CarbonylContact C-O 3.58Å; I256-G342 WeakPolarHBondContact CA-O 3.41Å
257L80.6Confident66.3Low53 Ų5367.3 Ų67.328%0.27736%0.361SS..EExtended strand (participates in β ladder)trans-128.7151.1179.1-62.5172.5000110I341 G342L257-I341 WeakPolarHBondContact O-CA 3.24Å; L257-G342 PolarHBondContact N-O 3.48Å; L257-G342 PolarHBondContact O-N 3.22Å
258T83.4Confident68.3Low36 Ų3663.2 Ų63.222%0.22134%0.335CS..EExtended strand (participates in β ladder)trans-96.4123167.1-62.60000109.3I205 G207 V339 F340 I341I205-T258 PolarHBondContact O-OG1 3.19Å; G207-T258 PolarHBondContact N-OG1 3.23Å; T258-V339 HydrophobicContact CG2-CG1 3.68Å; T258-F340 CarbonylContact C-O 3.58Å; T258-F340 WeakPolarHBondContact CA-O 3.18Å; T258-I341 HydrophobicContact CG2-CG1 4.24Å
259A83.4Confident70.3Confident7 Ų763 Ų636%0.05833%0.328CS..EExtended strand (participates in β ladder)trans-110.3122.1171.400000109.6V339 F340 L345 K347 L350A259-V339 WeakPolarHBondContact O-CA 3.42Å; A259-F340 PolarHBondContact N-O 3.43Å; A259-F340 PolarHBondContact O-N 2.92Å; A259-L345 HydrophobicContact CB-CB 4.17Å; A259-L345 HydrophobicContact CB-CD1 4.12Å; A259-K347 HydrophobicContact CB-CB 4.28Å; A259-L350 HydrophobicContact CB-CD1 4.35Å
260T83.2Confident72.4Confident24 Ų2458.7 Ų58.715%0.14732%0.322CS..EExtended strand (participates in β ladder)trans-125.6129.8179.3-55.90000109.5L242 L338 V339 K347L242-T260 HydrophobicContact CD2-CG2 3.87Å; T260-L338 WeakPolarHBondContact CA-O 3.35Å; T260-V339 HydrophobicContact CG2-CG2 3.8Å; T260-K347 WeakPolarHBondContact O-CD 3.38Å; T260-K347 WeakPolarHBondContact O-CE 3.46Å; T260-K347 PolarHBondContact O-NZ 2.99Å
261F81Confident74.5Confident3 Ų354.8 Ų54.81%0.01330%0.298CS..EExtended strand (participates in β ladder)trans-142.6153.4175.261.2-96.6000111.4V263 L338 F340 L350 Q351 F354F261-V263 HydrophobicContact CD2-CG2 3.79Å; F261-V263 HydrophobicContact CE2-CG2 4.08Å; F261-L338 HydrophobicContact CE2-CB 4.24Å; F261-L338 HydrophobicContact CE2-CD1 3.68Å; F261-L338 HydrophobicContact CZ-CB 4.21Å; F261-L338 HydrophobicContact CZ-CD1 3.95Å; F261-L338 PolarHBondContact N-O 3.35Å; F261-L338 VanDerWaalsContact N-O 3.15Å; F261-L338 PolarHBondContact O-N 3.23Å; F261-L338 VanDerWaalsContact O-N 3.08Å; F261-F340 HydrophobicContact CD1-CD2 4.44Å; F261-F340 HydrophobicContact CD1-CE2 4.34Å; F261-F340 AromaticContact CE1-CD2 3.69Å; F261-F340 HydrophobicContact CE1-CD2 3.69Å; F261-F340 AromaticContact CE1-CE2 3.3Å; F261-F340 HydrophobicContact CE1-CE2 3.3Å; F261-F340 HydrophobicContact CE1-CZ 4.36Å; F261-F340 HydrophobicContact CZ-CD2 4.33Å; F261-F340 AromaticContact CZ-CE2 3.49Å; F261-F340 HydrophobicContact CZ-CE2 3.49Å; F261-F340 VanDerWaalsContact CZ-CE2 3.49Å; F261-F340 HydrophobicContact CZ-CZ 4.24Å; F261-L350 HydrophobicContact CE1-CB 3.87Å; F261-Q351 HydrophobicContact CB-CB 4.27Å; F261-Q351 HydrophobicContact CB-CG 4.26Å; F261-Q351 HydrophobicContact CD1-CB 4.38Å; F261-Q351 HydrophobicContact CD2-CB 4.23Å; F261-Q351 HydrophobicContact CD2-CG 4.16Å; F261-Q351 HydrophobicContact CG-CB 4.06Å; F261-Q351 HydrophobicContact CG-CG 4.28Å; F261-F354 HydrophobicContact CE2-CB 3.99Å; F261-F354 AromaticContact CE2-CD1 3.95Å; F261-F354 HydrophobicContact CE2-CD1 3.95Å; F261-F354 HydrophobicContact CE2-CD2 4.33Å; F261-F354 AromaticContact CE2-CG 3.82Å; F261-F354 HydrophobicContact CE2-CG 3.82Å; F261-F354 HydrophobicContact CZ-CB 4.03Å; F261-F354 HydrophobicContact CZ-CD2 4.31Å; F261-F354 HydrophobicContact CZ-CG 4.08Å
262E82.6Confident76.5Confident89 Ų8949.6 Ų49.642%0.41627%0.274SS..EExtended strand (participates in β ladder)trans-119.1137.7-179.5-53.5-169.6160.200108.8T335 N336 R337E262-T335 HydrophobicContact CB-CG2 4.18Å; E262-N336 CarbonylContact C-O 3.59Å; E262-N336 VanDerWaalsContact CA-O 3.27Å; E262-N336 WeakPolarHBondContact CA-O 3.13Å; E262-R337 HydrophobicContact CG-CG 3.96Å; E262-R337 WeakPolarHBondContact OE1-CD 3.25Å; E262-R337 IonicContact OE1-CZ 3.11Å; E262-R337 IonicContact OE1-NE 2.63Å; E262-R337 PolarHBondContact OE1-NE 3.49Å; E262-R337 IonicContact OE2-NE 2.85Å
263V82.1Confident78.6Confident10 Ų1042.7 Ų42.76%0.06124%0.238CC..EExtended strand (participates in β ladder)trans-137.4124.9-178.2-177.90000109F261 N336 F354 I355 V359F261-V263 HydrophobicContact CD2-CG2 3.79Å; F261-V263 HydrophobicContact CE2-CG2 4.08Å; V263-N336 PolarHBondContact N-O 3.44Å; V263-N336 WeakPolarHBondContact O-CB 3.47Å; V263-N336 PolarHBondContact O-N 2.96Å; V263-N336 PolarHBondContact O-ND2 3.33Å; V263-F354 HydrophobicContact CB-CD1 4.4Å; V263-F354 HydrophobicContact CB-CE1 4.23Å; V263-F354 HydrophobicContact CG1-CD1 4.48Å; V263-F354 HydrophobicContact CG1-CE1 4.4Å; V263-F354 HydrophobicContact CG2-CD1 3.93Å; V263-F354 HydrophobicContact CG2-CE1 4.19Å; V263-I355 HydrophobicContact CG1-CG1 3.86Å; V263-I355 HydrophobicContact CG2-CD1 4.38Å; V263-I355 HydrophobicContact CG2-CG1 4.01Å; V263-V359 HydrophobicContact CG1-CG2 3.5Å
264T82.1Confident80.4Confident69 Ų6939.6 Ų39.642%0.42322%0.224SC..EExtended strand (participates in β ladder)trans-84.9137.8176.554.80000111.4P333 H334T264-P333 HydrophobicContact CG2-CG 4.31Å; T264-H334 CarbonylContact C-O 3.56Å; T264-H334 VanDerWaalsContact CA-O 3.31Å; T264-H334 WeakPolarHBondContact CA-O 3.34Å
265G79.8Confident81.8Confident13 Ų1337.1 Ų37.113%0.13421%0.213CC..SBendtrans123.8165.1173.800000113.3S303 H334 N336G265-S303 PolarHBondContact O-OG 3.42Å; G265-H334 PolarHBondContact N-O 3.24Å; G265-N336 PolarHBondContact O-ND2 3.48Å
266D78.8Confident82.6Confident63 Ų6335 Ų3534%0.33720%0.198SC..PPolyproline II helixtrans-80.1138.9178.9-60.2-54000111.4A305 H334 M360D266-A305 HydrophobicContact CB-CB 4Å; D266-H334 IonicContact OD1-CE1 2.94Å; D266-H334 IonicContact OD1-CG 2.67Å; D266-H334 IonicContact OD1-ND1 3.62Å; D266-H334 PolarHBondContact OD1-ND1 2.84Å; D266-M360 PolarHBondContact O-N 3.49Å
267L82.8Confident82.9Confident1 Ų138.4 Ų38.41%0.00521%0.214CC..BIsolated β-bridgetrans-93.5154.7178.9-53.8-173.1000112V302 S303 F304 A305 F354 V358 V359L267-V302 HydrophobicContact CD1-CB 3.71Å; L267-V302 HydrophobicContact CD1-CG1 3.69Å; L267-S303 VanDerWaalsContact CB-O 3.31Å; L267-S303 WeakPolarHBondContact CB-O 3.31Å; L267-S303 WeakPolarHBondContact CG-O 3.08Å; L267-S303 PolarHBondContact N-O 3.35Å; L267-F304 HydrophobicContact CB-CD1 4.06Å; L267-F304 HydrophobicContact CB-CE1 4.17Å; L267-A305 PolarHBondContact O-N 3.18Å; L267-F354 HydrophobicContact CD1-CE1 4.28Å; L267-F354 HydrophobicContact CD1-CZ 3.59Å; L267-F354 HydrophobicContact CD2-CE1 3.82Å; L267-F354 HydrophobicContact CD2-CZ 3.93Å; L267-F354 HydrophobicContact CG-CZ 4.44Å; L267-V358 HydrophobicContact CB-CG1 4.04Å; L267-V358 HydrophobicContact CD1-CG1 4.07Å; L267-V358 HydrophobicContact CD2-CG1 4Å; L267-V358 HydrophobicContact CG-CG1 4.26Å; L267-V359 HydrophobicContact CD2-CG2 3.96Å
268C83.1Confident83Confident36 Ų3637.9 Ų37.924%0.24321%0.211CC..PPolyproline II helixtrans-91.6125165-176.10000110.1A271 L272 V358 M360C268-A271 HydrophobicContact CB-CB 3.83Å; C268-A271 PolarHBondContact O-N 3.12Å; C268-L272 PolarHBondContact O-N 3.38Å; C268-V358 PolarHBondContact N-O 3.36Å; C268-V358 VanDerWaalsContact N-O 3.17Å; C268-M360 HydrophobicContact CB-CE 3.59Å; C268-M360 HydrophobicContact CB-CG 4.23Å
269E82.3Confident83Confident78 Ų7836.2 Ų36.236%0.36420%0.201SC..Hα-helixtrans-60.9-46.7-178.7-167.9171.6163.700112.4A271 L272 N273 F304 K307E269-A271 VanDerWaalsContact C-N 3.31Å; E269-A271 PolarHBondContact O-N 2.75Å; E269-L272 PolarHBondContact O-N 3.01Å; E269-N273 PolarHBondContact O-N 2.8Å; E269-N273 PolarHBondContact O-ND2 3.29Å; E269-F304 VanDerWaalsContact CA-CE1 3.44Å; E269-F304 HydrophobicContact CB-CD1 3.88Å; E269-F304 HydrophobicContact CB-CE1 3.76Å; E269-F304 HydrophobicContact CB-CZ 4.31Å; E269-F304 HydrophobicContact CG-CD1 4.5Å; E269-F304 HydrophobicContact CG-CE1 4.06Å; E269-F304 HydrophobicContact CG-CZ 4.1Å; E269-K307 IonicContact OE2-NZ 3.43Å
270D84.1Confident82.8Confident123 Ų12336.4 Ų36.466%0.65820%0.201SC*.Hα-helixtrans-62-39178.6-64.2-38.7000112.5T274D270-T274 PolarHBondContact O-N 3.4Å; D270-T274 PolarHBondContact O-OG1 3.24Å
271A84.3Confident82.6Confident20 Ų2041 Ų4117%0.16522%0.216CC..Hα-helixtrans-71.7-37.5179.100000111.8C268 E269 T274 F275 T357C268-A271 HydrophobicContact CB-CB 3.83Å; C268-A271 PolarHBondContact O-N 3.12Å; E269-A271 VanDerWaalsContact C-N 3.31Å; E269-A271 PolarHBondContact O-N 2.75Å; A271-T274 PolarHBondContact O-N 3.21Å; A271-F275 WeakPolarHBondContact O-CB 3.05Å; A271-F275 PolarHBondContact O-N 3.2Å; A271-T357 VanDerWaalsContact CB-O 3.32Å; A271-T357 WeakPolarHBondContact CB-O 3.4Å
272L84.9Confident82.1Confident1 Ų146.4 Ų46.41%0.00524%0.241CC..Hα-helixtrans-62.9-45.9174.1-179.267.8000110.7C268 E269 T274 F275 I276 V302 F304 L322 F354 V358C268-L272 PolarHBondContact O-N 3.38Å; E269-L272 PolarHBondContact O-N 3.01Å; L272-T274 VanDerWaalsContact C-N 3.32Å; L272-T274 PolarHBondContact O-N 3.37Å; L272-F275 PolarHBondContact O-N 2.82Å; L272-I276 HydrophobicContact CD1-CD1 4.04Å; L272-I276 HydrophobicContact CD1-CG1 4.33Å; L272-I276 HydrophobicContact CD2-CD1 4.38Å; L272-I276 HydrophobicContact CG-CD1 3.81Å; L272-I276 HydrophobicContact CG-CG1 4.44Å; L272-I276 VanDerWaalsContact O-CG1 3.31Å; L272-I276 WeakPolarHBondContact O-CG1 3.46Å; L272-I276 PolarHBondContact O-N 2.95Å; L272-V302 HydrophobicContact CD2-CG2 4.18Å; L272-F304 HydrophobicContact CB-CE1 4.44Å; L272-F304 HydrophobicContact CD2-CE1 3.85Å; L272-F304 HydrophobicContact CD2-CZ 3.59Å; L272-L322 HydrophobicContact CD2-CD1 4.46Å; L272-L322 HydrophobicContact CD2-CD2 4.11Å; L272-F354 HydrophobicContact CD1-CE2 3.62Å; L272-F354 HydrophobicContact CD1-CZ 4.25Å; L272-V358 HydrophobicContact CB-CG1 3.73Å; L272-V358 HydrophobicContact CD1-CG1 3.96Å; L272-V358 HydrophobicContact CG-CG1 4.45Å
273N84.9Confident81.4Confident35 Ų3547 Ų4719%0.18724%0.242CC..Hα-helixtrans-60.2-44.2178.5-72.6-21.3000111.1E269 F275 I276 Q277 Y320 L322E269-N273 PolarHBondContact O-N 2.8Å; E269-N273 PolarHBondContact O-ND2 3.29Å; N273-F275 PolarHBondContact O-N 2.74Å; N273-I276 PolarHBondContact O-N 2.7Å; N273-Q277 WeakPolarHBondContact O-CB 3.35Å; N273-Q277 WeakPolarHBondContact O-CG 3.33Å; N273-Q277 PolarHBondContact O-N 2.91Å; N273-Y320 PolarHBondContact OD1-OH 3.44Å; N273-L322 WeakPolarHBondContact OD1-CD1 3.42Å
274T84.8Confident80.6Confident69 Ų6952 Ų5242%0.42326%0.263SS..Hα-helixtrans-62.3-44.3176.8-52.90000111.3D270 A271 L272 I276 Q277 D278D270-T274 PolarHBondContact O-N 3.4Å; D270-T274 PolarHBondContact O-OG1 3.24Å; A271-T274 PolarHBondContact O-N 3.21Å; L272-T274 VanDerWaalsContact C-N 3.32Å; L272-T274 PolarHBondContact O-N 3.37Å; T274-I276 PolarHBondContact O-N 2.79Å; T274-Q277 PolarHBondContact O-N 2.97Å; T274-D278 WeakPolarHBondContact O-CB 3.47Å; T274-D278 PolarHBondContact O-N 3.17Å
275F85.7Confident80.2Confident2 Ų249.9 Ų49.91%0.00925%0.248CC..Hα-helixtrans-60.5-44.9177173-94000112.2A271 L272 N273 D278 L279 F285 F340 L350 I353 F354 V358A271-F275 WeakPolarHBondContact O-CB 3.05Å; A271-F275 PolarHBondContact O-N 3.2Å; L272-F275 PolarHBondContact O-N 2.82Å; N273-F275 PolarHBondContact O-N 2.74Å; F275-D278 PolarHBondContact O-N 2.91Å; F275-L279 HydrophobicContact CE1-CD2 4.1Å; F275-L279 HydrophobicContact CZ-CD2 4.43Å; F275-L279 WeakPolarHBondContact O-CB 3.4Å; F275-L279 PolarHBondContact O-N 3.29Å; F275-F285 HydrophobicContact CD2-CE2 4.22Å; F275-F285 HydrophobicContact CD2-CZ 4Å; F275-F285 HydrophobicContact CE2-CE2 4.04Å; F275-F285 AromaticContact CE2-CZ 3.99Å; F275-F285 HydrophobicContact CE2-CZ 3.99Å; F275-F340 HydrophobicContact CE1-CZ 4.21Å; F275-L350 HydrophobicContact CZ-CD2 4.45Å; F275-I353 HydrophobicContact CD2-CG2 3.91Å; F275-I353 HydrophobicContact CE2-CB 4.17Å; F275-I353 HydrophobicContact CE2-CG2 3.64Å; F275-F354 HydrophobicContact CD1-CD2 4.03Å; F275-F354 AromaticContact CE1-CD2 3.83Å; F275-F354 HydrophobicContact CE1-CD2 3.83Å; F275-F354 HydrophobicContact CE2-CB 4.33Å; F275-F354 HydrophobicContact CZ-CB 4.22Å; F275-F354 HydrophobicContact CZ-CD2 4.14Å; F275-V358 HydrophobicContact CB-CG2 3.73Å; F275-V358 HydrophobicContact CD2-CG2 4.4Å; F275-V358 HydrophobicContact CG-CG2 3.97Å
276I84Confident79.9Confident1 Ų151.8 Ų51.81%0.00526%0.259CS..Hα-helixtrans-66.2-41.6178.8-65.5167.6000110.5L272 N273 T274 L279 L280 L298 L313 Y320L272-I276 HydrophobicContact CD1-CD1 4.04Å; L272-I276 HydrophobicContact CD1-CG1 4.33Å; L272-I276 HydrophobicContact CD2-CD1 4.38Å; L272-I276 HydrophobicContact CG-CD1 3.81Å; L272-I276 HydrophobicContact CG-CG1 4.44Å; L272-I276 VanDerWaalsContact O-CG1 3.31Å; L272-I276 WeakPolarHBondContact O-CG1 3.46Å; L272-I276 PolarHBondContact O-N 2.95Å; N273-I276 PolarHBondContact O-N 2.7Å; T274-I276 PolarHBondContact O-N 2.79Å; I276-L279 PolarHBondContact O-N 3.21Å; I276-L280 HydrophobicContact CG2-CD1 3.49Å; I276-L280 VanDerWaalsContact CG2-CD1 3.49Å; I276-L280 HydrophobicContact CG2-CG 3.87Å; I276-L280 WeakPolarHBondContact O-CB 3.44Å; I276-L280 WeakPolarHBondContact O-CG 3.26Å; I276-L280 PolarHBondContact O-N 2.96Å; I276-L298 HydrophobicContact CD1-CD2 4.49Å; I276-L298 HydrophobicContact CG1-CD2 4.39Å; I276-L298 HydrophobicContact CG2-CD2 4.46Å; I276-L313 HydrophobicContact CD1-CD1 3.62Å; I276-L313 HydrophobicContact CD1-CD2 3.72Å; I276-L313 HydrophobicContact CD1-CG 4.33Å; I276-Y320 HydrophobicContact CB-CE1 4.41Å; I276-Y320 HydrophobicContact CD1-CD2 4.04Å; I276-Y320 HydrophobicContact CD1-CE2 4.08Å; I276-Y320 HydrophobicContact CG2-CD1 3.51Å; I276-Y320 HydrophobicContact CG2-CD2 4.24Å; I276-Y320 HydrophobicContact CG2-CE1 3.74Å; I276-Y320 HydrophobicContact CG2-CE2 4.44Å; I276-Y320 HydrophobicContact CG2-CG 3.78Å
277Q83.5Confident79.7Confident73 Ų7350 Ų5034%0.34125%0.249SC..Hα-helixtrans-62.5-44.1176.6-71.5176.5-2.700111.9N273 T274 L279 W281 E282N273-Q277 WeakPolarHBondContact O-CB 3.35Å; N273-Q277 WeakPolarHBondContact O-CG 3.33Å; N273-Q277 PolarHBondContact O-N 2.91Å; T274-Q277 PolarHBondContact O-N 2.97Å; Q277-L279 VanDerWaalsContact C-N 3.26Å; Q277-L279 PolarHBondContact O-N 2.86Å; Q277-W281 HydrophobicContact CB-CE3 3.91Å; Q277-W281 HydrophobicContact CB-CZ3 4.16Å; Q277-W281 HydrophobicContact CG-CD2 4.43Å; Q277-W281 HydrophobicContact CG-CE3 3.75Å; Q277-W281 HydrophobicContact CG-CH2 3.95Å; Q277-W281 HydrophobicContact CG-CZ3 3.49Å; Q277-W281 VanDerWaalsContact CG-CZ3 3.49Å; Q277-W281 WeakPolarHBondContact O-CB 3.42Å; Q277-W281 PolarHBondContact O-N 2.87Å; Q277-E282 PolarHBondContact O-N 2.91Å
278D83.1Confident79.1Confident42 Ų4257.6 Ų57.623%0.22528%0.282CS..Hα-helixtrans-64.4-32.4176.6-82-29.9000112.4T274 F275 K283 K284 F285T274-D278 WeakPolarHBondContact O-CB 3.47Å; T274-D278 PolarHBondContact O-N 3.17Å; F275-D278 PolarHBondContact O-N 2.91Å; D278-K283 PolarHBondContact O-N 2.91Å; D278-K283 VanDerWaalsContact O-N 3.16Å; D278-K284 HydrophobicContact CB-CD 4.43Å; D278-K284 PolarHBondContact O-N 3.46Å; D278-K284 WeakPolarHBondContact OD1-CD 3.41Å; D278-K284 IonicContact OD1-NZ 3.08Å; D278-K284 PolarHBondContact OD1-NZ 3.36Å; D278-F285 HydrophobicContact CB-CE2 4Å; D278-F285 HydrophobicContact CB-CZ 4Å
279L82.1Confident78.5Confident2 Ų259.9 Ų59.91%0.0130%0.304CS..Hα-helixtrans-76.4-48.5178-178.662.6000112.8F275 I276 Q277 F285 V295 F340 L350F275-L279 HydrophobicContact CE1-CD2 4.1Å; F275-L279 HydrophobicContact CZ-CD2 4.43Å; F275-L279 WeakPolarHBondContact O-CB 3.4Å; F275-L279 PolarHBondContact O-N 3.29Å; I276-L279 PolarHBondContact O-N 3.21Å; Q277-L279 VanDerWaalsContact C-N 3.26Å; Q277-L279 PolarHBondContact O-N 2.86Å; L279-F285 HydrophobicContact CB-CD2 3.75Å; L279-F285 HydrophobicContact CB-CE2 3.68Å; L279-F285 HydrophobicContact CD1-CB 4.42Å; L279-F285 HydrophobicContact CD1-CD2 3.49Å; L279-F285 VanDerWaalsContact CD1-CD2 3.49Å; L279-F285 HydrophobicContact CD1-CE2 4.25Å; L279-F285 HydrophobicContact CD1-CG 4.38Å; L279-F285 HydrophobicContact CG-CD2 4.19Å; L279-V295 HydrophobicContact CD1-CG2 3.9Å; L279-V295 HydrophobicContact CD2-CG2 3.86Å; L279-V295 HydrophobicContact CG-CG2 3.79Å; L279-F340 HydrophobicContact CD2-CD1 3.74Å; L279-F340 HydrophobicContact CD2-CE1 3.37Å; L279-F340 HydrophobicContact CD2-CZ 4.33Å; L279-L350 HydrophobicContact CD1-CD2 3.87Å; L279-L350 HydrophobicContact CD2-CD2 4.49Å
280L79.6Confident78.1Confident10 Ų1058.5 Ų58.55%0.05231%0.311CS..Hα-helixtrans-83.2-43.3-172.2-62.3-173.4000112.3I276 V295 H317 Y320I276-L280 HydrophobicContact CG2-CD1 3.49Å; I276-L280 VanDerWaalsContact CG2-CD1 3.49Å; I276-L280 HydrophobicContact CG2-CG 3.87Å; I276-L280 WeakPolarHBondContact O-CB 3.44Å; I276-L280 WeakPolarHBondContact O-CG 3.26Å; I276-L280 PolarHBondContact O-N 2.96Å; L280-V295 HydrophobicContact CD2-CB 3.68Å; L280-V295 HydrophobicContact CD2-CG1 4.01Å; L280-V295 HydrophobicContact CD2-CG2 4.28Å; L280-H317 WeakPolarHBondContact CD2-O 3.47Å; L280-Y320 HydrophobicContact CD1-CD1 4.26Å
281W79.2Confident77.7Confident122 Ų12256.9 Ų56.946%0.46230%0.299SS..THydrogen-bonded Turntrans-99.4-50.6-171.3-56.3-21.4000112.4Q277 K283 E318Q277-W281 HydrophobicContact CB-CE3 3.91Å; Q277-W281 HydrophobicContact CB-CZ3 4.16Å; Q277-W281 HydrophobicContact CG-CD2 4.43Å; Q277-W281 HydrophobicContact CG-CE3 3.75Å; Q277-W281 HydrophobicContact CG-CH2 3.95Å; Q277-W281 HydrophobicContact CG-CZ3 3.49Å; Q277-W281 VanDerWaalsContact CG-CZ3 3.49Å; Q277-W281 WeakPolarHBondContact O-CB 3.42Å; Q277-W281 PolarHBondContact O-N 2.87Å; W281-K283 VanDerWaalsContact C-N 3.32Å; W281-K283 PolarHBondContact O-N 2.94Å; W281-E318 PolarHBondContact NE1-O 2.87Å
282E69.8Low77.5Confident116 Ų11659.5 Ų59.554%0.54231%0.314SS..SBendtrans-79.9-17.7-172.3-61-80.7135.900112.6Q277 K284Q277-E282 PolarHBondContact O-N 2.91Å; E282-K284 HydrophobicContact CB-CD 3.8Å; E282-K284 HydrophobicContact CB-CG 3.8Å; E282-K284 HydrophobicContact CG-CD 4.45Å; E282-K284 PolarHBondContact O-N 3.04Å; E282-K284 WeakPolarHBondContact OE2-CE 3.48Å; E282-K284 IonicContact OE2-NZ 2.61Å; E282-K284 PolarHBondContact OE2-NZ 2.82Å; E282-K284 VanDerWaalsContact OE2-NZ 3.08Å
283K69.4Low77.5Confident101 Ų10159.5 Ų59.544%0.43931%0.314SS..  trans49.433.9-179.4-60.7177.1-175.9170.60112.5D278 W281 F285 P292D278-K283 PolarHBondContact O-N 2.91Å; D278-K283 VanDerWaalsContact O-N 3.16Å; W281-K283 VanDerWaalsContact C-N 3.32Å; W281-K283 PolarHBondContact O-N 2.94Å; K283-F285 PolarHBondContact O-N 2.84Å; K283-P292 HydrophobicContact CB-CB 4.49Å
284K64.6Low77.4Confident115 Ų11560.2 Ų60.250%0.532%0.322SS..  trans-70.4-20.6-175.7-79.4168.9-174.4153.80113D278 E282 C286D278-K284 HydrophobicContact CB-CD 4.43Å; D278-K284 PolarHBondContact O-N 3.46Å; D278-K284 WeakPolarHBondContact OD1-CD 3.41Å; D278-K284 IonicContact OD1-NZ 3.08Å; D278-K284 PolarHBondContact OD1-NZ 3.36Å; E282-K284 HydrophobicContact CB-CD 3.8Å; E282-K284 HydrophobicContact CB-CG 3.8Å; E282-K284 HydrophobicContact CG-CD 4.45Å; E282-K284 PolarHBondContact O-N 3.04Å; E282-K284 WeakPolarHBondContact OE2-CE 3.48Å; E282-K284 IonicContact OE2-NZ 2.61Å; E282-K284 PolarHBondContact OE2-NZ 2.82Å; E282-K284 VanDerWaalsContact OE2-NZ 3.08Å; K284-C286 PolarHBondContact O-N 3.22Å
285F73.7Confident77.4Confident25 Ų2557.5 Ų57.511%0.1131%0.305CS..  trans-84.4117.7-178.2-56.7-52.2000110.5F275 D278 L279 K283 M293 I353F275-F285 HydrophobicContact CD2-CE2 4.22Å; F275-F285 HydrophobicContact CD2-CZ 4Å; F275-F285 HydrophobicContact CE2-CE2 4.04Å; F275-F285 AromaticContact CE2-CZ 3.99Å; F275-F285 HydrophobicContact CE2-CZ 3.99Å; D278-F285 HydrophobicContact CB-CE2 4Å; D278-F285 HydrophobicContact CB-CZ 4Å; L279-F285 HydrophobicContact CB-CD2 3.75Å; L279-F285 HydrophobicContact CB-CE2 3.68Å; L279-F285 HydrophobicContact CD1-CB 4.42Å; L279-F285 HydrophobicContact CD1-CD2 3.49Å; L279-F285 VanDerWaalsContact CD1-CD2 3.49Å; L279-F285 HydrophobicContact CD1-CE2 4.25Å; L279-F285 HydrophobicContact CD1-CG 4.38Å; L279-F285 HydrophobicContact CG-CD2 4.19Å; K283-F285 PolarHBondContact O-N 2.84Å; F285-M293 HydrophobicContact CB-CG 4.46Å; F285-M293 HydrophobicContact CB-SD 4.32Å; F285-M293 WeakPolarHBondContact O-CB 3.24Å; F285-M293 WeakPolarHBondContact O-CG 3.47Å; F285-M293 PolarHBondContact O-N 2.81Å; F285-I353 HydrophobicContact CD1-CD1 3.35Å; F285-I353 HydrophobicContact CD1-CG2 4.43Å; F285-I353 HydrophobicContact CE1-CB 4.48Å; F285-I353 HydrophobicContact CE1-CD1 3.55Å; F285-I353 HydrophobicContact CE1-CG1 4.49Å; F285-I353 HydrophobicContact CE1-CG2 3.6Å; F285-I353 HydrophobicContact CG-CD1 4.32Å; F285-I353 HydrophobicContact CZ-CG2 3.87Å
286C74.5Confident77.4Confident52 Ų5257.7 Ų57.735%0.35131%0.307SS..BIsolated β-bridgetrans-106.2148.5173.7-65.50000111K284 E291 M293K284-C286 PolarHBondContact O-N 3.22Å; C286-E291 CarbonylContact C-O 3.5Å; C286-E291 WeakPolarHBondContact CA-O 3.34Å; C286-M293 WeakPolarHBondContact O-CE 3.33Å
287N72.8Confident77.5Confident26 Ų2658 Ų5814%0.13931%0.308CS..  trans-68.7174.9169.670.68.2000111.4A289 G290 E291 M293 N344N287-A289 PolarHBondContact O-N 3.3Å; N287-A289 VanDerWaalsContact OD1-C 3.32Å; N287-A289 WeakPolarHBondContact OD1-CA 3.29Å; N287-A289 WeakPolarHBondContact OD1-CB 3.36Å; N287-A289 PolarHBondContact OD1-N 2.84Å; N287-G290 PolarHBondContact O-N 3.15Å; N287-G290 PolarHBondContact OD1-N 2.78Å; N287-E291 PolarHBondContact N-O 2.8Å; N287-E291 PolarHBondContact ND2-OE2 2.87Å; N287-E291 PolarHBondContact OD1-N 2.8Å; N287-E291 PolarHBondContact OD1-O 3Å; N287-M293 HydrophobicContact CB-CE 4.32Å; N287-N344 WeakPolarHBondContact CB-O 2.98Å
288K71.4Confident77.6Confident161 Ų16154.7 Ų54.770%0.729%0.292SS*.THydrogen-bonded Turntrans-57-20.7176.2-69.9176.6-175.1177.40114D346 I349K288-D346 WeakPolarHBondContact CD-OD2 3.32Å; K288-D346 VanDerWaalsContact CE-OD2 3.24Å; K288-D346 WeakPolarHBondContact CE-OD2 3.39Å; K288-D346 WeakPolarHBondContact CG-OD2 3.38Å; K288-I349 HydrophobicContact CG-CD1 3.93Å
289A70.4Confident77.7Confident83 Ų8353.6 Ų53.669%0.68629%0.285SS*.THydrogen-bonded Turntrans-89.7-1.5176.900000113.4N287N287-A289 PolarHBondContact O-N 3.3Å; N287-A289 VanDerWaalsContact OD1-C 3.32Å; N287-A289 WeakPolarHBondContact OD1-CA 3.29Å; N287-A289 WeakPolarHBondContact OD1-CB 3.36Å; N287-A289 PolarHBondContact OD1-N 2.84Å
290G72.9Confident77.8Confident50 Ų5053.6 Ų53.652%0.51529%0.286SS..SBendtrans84.75.8179.900000114.8N287N287-G290 PolarHBondContact O-N 3.15Å; N287-G290 PolarHBondContact OD1-N 2.78Å
291E77.1Confident78Confident89 Ų8953.4 Ų53.442%0.41629%0.285SS..PPolyproline II helixtrans-84.3139.7177.9-53.8177.1116.300111.1C286 N287 M293 N344C286-E291 CarbonylContact C-O 3.5Å; C286-E291 WeakPolarHBondContact CA-O 3.34Å; N287-E291 PolarHBondContact N-O 2.8Å; N287-E291 PolarHBondContact ND2-OE2 2.87Å; N287-E291 PolarHBondContact OD1-N 2.8Å; N287-E291 PolarHBondContact OD1-O 3Å; E291-M293 PolarHBondContact O-N 2.93Å; E291-N344 WeakPolarHBondContact CB-ND2 3.33Å; E291-N344 PolarHBondContact OE2-ND2 2.94Å; E291-N344 VanDerWaalsContact OE2-ND2 3.11Å
292P79.9Confident78.2Confident74 Ų7447.6 Ų47.648%0.48126%0.263SS..BIsolated β-bridgetrans-65.9135.9179.827.5-34.1000111.1K283K283-P292 HydrophobicContact CB-CB 4.49Å
293M83.6Confident78.9Confident1 Ų142.2 Ų42.21%0.00524%0.238CC..PPolyproline II helixtrans-74.9136.6171.9-62.1-166.4-166.100109.6F285 C286 N287 E291 N344 L345 D346 I349 L350F285-M293 HydrophobicContact CB-CG 4.46Å; F285-M293 HydrophobicContact CB-SD 4.32Å; F285-M293 WeakPolarHBondContact O-CB 3.24Å; F285-M293 WeakPolarHBondContact O-CG 3.47Å; F285-M293 PolarHBondContact O-N 2.81Å; C286-M293 WeakPolarHBondContact O-CE 3.33Å; N287-M293 HydrophobicContact CB-CE 4.32Å; E291-M293 PolarHBondContact O-N 2.93Å; M293-N344 WeakPolarHBondContact CG-O 2.82Å; M293-L345 HydrophobicContact CB-CD2 4.14Å; M293-L345 HydrophobicContact SD-CD2 4.43Å; M293-D346 HydrophobicContact CE-CB 3.56Å; M293-I349 HydrophobicContact CE-CB 4.07Å; M293-I349 HydrophobicContact CE-CD1 4.29Å; M293-I349 HydrophobicContact CE-CG2 4.07Å; M293-L350 HydrophobicContact SD-CD1 4.19Å; M293-L350 HydrophobicContact SD-CD2 3.91Å; M293-L350 HydrophobicContact SD-CG 3.88Å
294S82.9Confident79.5Confident50 Ų5037.7 Ų37.735%0.3522%0.218SC..EExtended strand (participates in β ladder)trans-126.8115.8176.2176.90000109.5G342 K343S294-G342 CarbonylContact O-C 3.58Å; S294-G342 WeakPolarHBondContact O-CA 3.36Å; S294-K343 PolarHBondContact N-O 3.39Å; S294-K343 PolarHBondContact O-N 2.68Å
295V85.3Confident79.8Confident12 Ų1234.8 Ų34.87%0.07322%0.215CC..EExtended strand (participates in β ladder)trans-88.4133.5176.4-178.60000109.3L279 L280 R297 L298 F340 L345L279-V295 HydrophobicContact CD1-CG2 3.9Å; L279-V295 HydrophobicContact CD2-CG2 3.86Å; L279-V295 HydrophobicContact CG-CG2 3.79Å; L280-V295 HydrophobicContact CD2-CB 3.68Å; L280-V295 HydrophobicContact CD2-CG1 4.01Å; L280-V295 HydrophobicContact CD2-CG2 4.28Å; V295-R297 WeakPolarHBondContact CG1-O 3.48Å; V295-L298 HydrophobicContact CG1-CB 4.37Å; V295-F340 HydrophobicContact CG1-CD1 4.32Å; V295-F340 HydrophobicContact CG2-CD1 4.12Å; V295-L345 HydrophobicContact CG2-CD2 4.1Å
296I84.7Confident79.6Confident7 Ų737.6 Ų37.64%0.03625%0.252CS..EExtended strand (participates in β ladder)trans-102.6-40.7175-61.9169.5000109.3V169 R174 A177 L178 I256 H317 I341V169-I296 HydrophobicContact CG1-CD1 4.5Å; R174-I296 HydrophobicContact CG-CG2 4.38Å; A177-I296 HydrophobicContact CB-CG2 4.36Å; L178-I296 HydrophobicContact CD1-CG2 3.96Å; L178-I296 HydrophobicContact CD2-CG2 3.79Å; L178-I296 HydrophobicContact CG-CG2 3.7Å; I256-I296 HydrophobicContact CD1-CD1 3.75Å; I256-I296 HydrophobicContact CG1-CD1 4.09Å; I256-I296 HydrophobicContact CG2-CD1 4.34Å; I296-H317 PolarHBondContact O-N 2.7Å; I296-I341 PolarHBondContact N-O 2.77Å
297R86.3Confident79.5Confident8 Ų838.2 Ų38.23%0.0325%0.248CC..EExtended strand (participates in β ladder)trans-138.1140.3178.8-164.6174.3-162.8166.911.2111.2L178 A179 D180 V295 G315 I341L178-R297 HydrophobicContact CD2-CB 4.31Å; L178-R297 PolarHBondContact O-NH1 2.83Å; A179-R297 VanDerWaalsContact C-NH1 3.28Å; A179-R297 PolarHBondContact O-NH1 3.21Å; D180-R297 IonicContact OD1-CZ 3.59Å; D180-R297 IonicContact OD1-NH1 3.52Å; D180-R297 PolarHBondContact OD1-NH1 3.14Å; D180-R297 IonicContact OD1-NH2 3.54Å; D180-R297 PolarHBondContact OD1-NH2 2.76Å; D180-R297 IonicContact OD2-CZ 2.76Å; D180-R297 IonicContact OD2-NH1 2.74Å; D180-R297 PolarHBondContact OD2-NH1 2.84Å; D180-R297 IonicContact OD2-NH2 3.79Å; D180-R297 PolarHBondContact OD2-NH2 3.29Å; V295-R297 WeakPolarHBondContact CG1-O 3.48Å; R297-G315 WeakPolarHBondContact CA-O 3.47Å; R297-I341 HydrophobicContact CB-CB 4.16Å; R297-I341 HydrophobicContact CB-CD1 4.38Å; R297-I341 PolarHBondContact N-O 3.4Å; R297-I341 PolarHBondContact O-N 2.74Å
298L87Confident79.5Confident2 Ų241.4 Ų41.41%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-127.7129.1174.2174.151.6000108.6I276 V295 L313 Q314 G315 L338 V339 F340I276-L298 HydrophobicContact CD1-CD2 4.49Å; I276-L298 HydrophobicContact CG1-CD2 4.39Å; I276-L298 HydrophobicContact CG2-CD2 4.46Å; V295-L298 HydrophobicContact CG1-CB 4.37Å; L298-L313 HydrophobicContact CD1-CD2 4.25Å; L298-L313 HydrophobicContact CD2-CD1 4.41Å; L298-L313 HydrophobicContact CD2-CD2 3.88Å; L298-L313 HydrophobicContact CD2-CG 4.17Å; L298-L313 HydrophobicContact CG-CD2 4.09Å; L298-L313 HydrophobicContact CG-CG 4.17Å; L298-Q314 CarbonylContact O-C 3.57Å; L298-Q314 WeakPolarHBondContact O-CA 3.5Å; L298-G315 PolarHBondContact N-O 2.76Å; L298-G315 PolarHBondContact O-N 3.34Å; L298-L338 HydrophobicContact CD1-CD2 4.38Å; L298-V339 WeakPolarHBondContact CA-O 3.41Å; L298-V339 WeakPolarHBondContact CD1-O 3.4Å; L298-F340 HydrophobicContact CD1-CD1 3.55Å; L298-F340 HydrophobicContact CD1-CD2 4.43Å; L298-F340 HydrophobicContact CD1-CE1 3.26Å; L298-F340 HydrophobicContact CD1-CE2 4.19Å; L298-F340 HydrophobicContact CD1-CG 4.13Å; L298-F340 HydrophobicContact CD1-CZ 3.62Å; L298-F340 HydrophobicContact CD2-CE1 3.98Å; L298-F340 HydrophobicContact CG-CD1 4.46Å; L298-F340 HydrophobicContact CG-CE1 4.17Å
299K85.1Confident79.8Confident20 Ų2037.2 Ų37.29%0.08725%0.251CS..EExtended strand (participates in β ladder)trans-136.8143.2165.6-70.8-162.1-176.6-168.40109.2D180 S229 L238 L313 Q314 V339D180-K299 IonicContact OD1-NZ 2.75Å; D180-K299 PolarHBondContact OD1-NZ 3.24Å; S229-K299 PolarHBondContact O-NZ 2.85Å; L238-K299 HydrophobicContact CD2-CB 4.4Å; L238-K299 HydrophobicContact CD2-CD 4.2Å; K299-L313 CarbonylContact C-O 3.53Å; K299-L313 VanDerWaalsContact CA-O 3.29Å; K299-L313 WeakPolarHBondContact CA-O 3.42Å; K299-Q314 HydrophobicContact CG-CG 4.43Å; K299-V339 PolarHBondContact N-O 3.09Å; K299-V339 PolarHBondContact O-N 2.96Å
300G82.9Confident80.3Confident2 Ų234.2 Ų34.22%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-166.7164.1174.100000113.3M312 L313 R337G300-M312 WeakPolarHBondContact O-CA 3.38Å; G300-L313 PolarHBondContact N-O 2.96Å; G300-L313 PolarHBondContact O-N 3.17Å; G300-R337 CarbonylContact C-O 3.47Å; G300-R337 WeakPolarHBondContact CA-O 3.05Å
301I83.4Confident80.7Confident6 Ų631.9 Ų31.93%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-118.3122.4171.2-56.5172.3000106.1G235 L238 Q310 V311 W329 N336 R337G235-I301 WeakPolarHBondContact O-CD1 3.44Å; L238-I301 HydrophobicContact CB-CD1 3.83Å; L238-I301 HydrophobicContact CB-CG1 4.45Å; I301-Q310 HydrophobicContact CG2-CB 3.83Å; I301-Q310 HydrophobicContact CG2-CG 4.48Å; I301-V311 WeakPolarHBondContact CA-O 3.44Å; I301-W329 HydrophobicContact CG2-CH2 3.79Å; I301-W329 HydrophobicContact CG2-CZ3 3.94Å; I301-N336 WeakPolarHBondContact O-CA 3.23Å; I301-R337 PolarHBondContact N-O 2.91Å; I301-R337 PolarHBondContact O-N 3.35Å
302V84.6Confident81Confident0 Ų028 Ų280%018%0.181CC..EExtended strand (participates in β ladder)trans-128.5142-174.2-64.60000111L267 L272 F304 V311 L322 W329 N336 L338L267-V302 HydrophobicContact CD1-CB 3.71Å; L267-V302 HydrophobicContact CD1-CG1 3.69Å; L272-V302 HydrophobicContact CD2-CG2 4.18Å; V302-F304 HydrophobicContact CG2-CE2 3.79Å; V302-F304 HydrophobicContact CG2-CZ 3.8Å; V302-V311 HydrophobicContact CG2-CB 4.05Å; V302-V311 HydrophobicContact CG2-CG1 4.41Å; V302-V311 WeakPolarHBondContact CG2-O 3.37Å; V302-V311 PolarHBondContact N-O 3.32Å; V302-V311 PolarHBondContact O-N 2.73Å; V302-L322 HydrophobicContact CG2-CD2 4.3Å; V302-W329 VanDerWaalsContact O-CZ3 3.3Å; V302-W329 WeakPolarHBondContact O-CZ3 3.28Å; V302-N336 WeakPolarHBondContact CA-OD1 3.35Å; V302-L338 HydrophobicContact CG1-CD2 4.04Å; V302-L338 HydrophobicContact CG1-CG 4.47Å
303S83.8Confident81.3Confident3 Ų324.6 Ų24.62%0.02116%0.159CC..  trans-101.7134.2175.258.20000108.8G265 L267 W329 H334 N336G265-S303 PolarHBondContact O-OG 3.42Å; L267-S303 VanDerWaalsContact CB-O 3.31Å; L267-S303 WeakPolarHBondContact CB-O 3.31Å; L267-S303 WeakPolarHBondContact CG-O 3.08Å; L267-S303 PolarHBondContact N-O 3.35Å; S303-W329 VanDerWaalsContact CB-CZ3 3.46Å; S303-H334 WeakPolarHBondContact OG-CB 3.45Å; S303-N336 PolarHBondContact N-OD1 2.93Å; S303-N336 PolarHBondContact OG-OD1 3.47Å
304F81.6Confident81.3Confident6 Ų624.9 Ų24.93%0.02616%0.16CC..BIsolated β-bridgetrans-112.3144.4174.1-67-67.3000110.5L267 E269 L272 V302 G306 K307 V311 L322L267-F304 HydrophobicContact CB-CD1 4.06Å; L267-F304 HydrophobicContact CB-CE1 4.17Å; E269-F304 VanDerWaalsContact CA-CE1 3.44Å; E269-F304 HydrophobicContact CB-CD1 3.88Å; E269-F304 HydrophobicContact CB-CE1 3.76Å; E269-F304 HydrophobicContact CB-CZ 4.31Å; E269-F304 HydrophobicContact CG-CD1 4.5Å; E269-F304 HydrophobicContact CG-CE1 4.06Å; E269-F304 HydrophobicContact CG-CZ 4.1Å; L272-F304 HydrophobicContact CB-CE1 4.44Å; L272-F304 HydrophobicContact CD2-CE1 3.85Å; L272-F304 HydrophobicContact CD2-CZ 3.59Å; V302-F304 HydrophobicContact CG2-CE2 3.79Å; V302-F304 HydrophobicContact CG2-CZ 3.8Å; F304-G306 PolarHBondContact O-N 2.87Å; F304-G306 VanDerWaalsContact O-N 3.12Å; F304-K307 HydrophobicContact CB-CB 4.41Å; F304-K307 HydrophobicContact CB-CD 4.18Å; F304-K307 HydrophobicContact CB-CG 4.23Å; F304-K307 HydrophobicContact CD2-CD 4.21Å; F304-K307 PolarHBondContact O-N 3.11Å; F304-K307 VanDerWaalsContact O-N 3.09Å; F304-V311 HydrophobicContact CD2-CB 3.95Å; F304-V311 HydrophobicContact CD2-CG1 4.44Å; F304-V311 HydrophobicContact CD2-CG2 3.55Å; F304-V311 HydrophobicContact CE2-CB 3.69Å; F304-V311 HydrophobicContact CE2-CG1 3.79Å; F304-V311 HydrophobicContact CE2-CG2 3.78Å; F304-L322 HydrophobicContact CE2-CD2 4.49Å; F304-L322 HydrophobicContact CZ-CD1 4.32Å; F304-L322 HydrophobicContact CZ-CD2 4.29Å
305A72.6Confident81.3Confident53 Ų5322.6 Ų22.644%0.43814%0.144SC..THydrogen-bonded Turntrans-58.6118.3176.400000110.5D266 L267 M360D266-A305 HydrophobicContact CB-CB 4Å; L267-A305 PolarHBondContact O-N 3.18Å; A305-M360 HydrophobicContact CB-CE 4.14Å; A305-M360 HydrophobicContact CB-SD 4.37Å
306G68.8Low81Confident84 Ų8422 Ų2287%0.86614%0.141SC*.THydrogen-bonded Turntrans91.9-3.1178.600000115.6F304F304-G306 PolarHBondContact O-N 2.87Å; F304-G306 VanDerWaalsContact O-N 3.12Å
307K72.8Confident80.8Confident65 Ų6524 Ų2428%0.28315%0.15SC..  trans-98.3131.7169.8-63.5-168.1-176.1-172.40110E269 F304 V311 E324E269-K307 IonicContact OE2-NZ 3.43Å; F304-K307 HydrophobicContact CB-CB 4.41Å; F304-K307 HydrophobicContact CB-CD 4.18Å; F304-K307 HydrophobicContact CB-CG 4.23Å; F304-K307 HydrophobicContact CD2-CD 4.21Å; F304-K307 PolarHBondContact O-N 3.11Å; F304-K307 VanDerWaalsContact O-N 3.09Å; K307-V311 HydrophobicContact CD-CG2 4.17Å; K307-E324 WeakPolarHBondContact CD-OE1 3.48Å; K307-E324 VanDerWaalsContact CE-OE1 3.24Å; K307-E324 WeakPolarHBondContact CE-OE1 3.37Å; K307-E324 IonicContact NZ-OE1 3.9Å; K307-E324 PolarHBondContact NZ-OE1 2.89Å
308V72.8Confident80.5Confident94 Ų9428.8 Ų28.857%0.5717%0.172SC*.  trans-85.3-23.2178.2-163.90000111.3L328 W329V308-L328 HydrophobicContact CB-CD2 4.19Å; V308-L328 HydrophobicContact CG1-CD2 3.66Å; V308-W329 PolarHBondContact O-N 3.28Å
309H78.3Confident80.2Confident72 Ų7231.2 Ų31.233%0.33319%0.185SC..EExtended strand (participates in β ladder)trans-89.5149.6180-64.2103.3000111.7T325 Q327 L328H309-T325 WeakPolarHBondContact CB-O 3.17Å; H309-Q327 WeakPolarHBondContact CA-O 3.43Å; H309-L328 WeakPolarHBondContact NE2-CD2 3.31Å
310Q79.7Confident80.2Confident20 Ų2033 Ų339%0.09319%0.192CC..EExtended strand (participates in β ladder)trans-70.4142.9170.3-39.9-174.1-2100109.9I301 T325 Q327 W329I301-Q310 HydrophobicContact CG2-CB 3.83Å; I301-Q310 HydrophobicContact CG2-CG 4.48Å; Q310-T325 WeakPolarHBondContact CB-OG1 3Å; Q310-T325 WeakPolarHBondContact O-CB 3.06Å; Q310-T325 WeakPolarHBondContact O-CG2 3.38Å; Q310-T325 PolarHBondContact O-N 3.4Å; Q310-T325 PolarHBondContact O-OG1 3.42Å; Q310-Q327 HydrophobicContact CG-CB 4.41Å; Q310-Q327 PolarHBondContact N-O 3.4Å; Q310-W329 HydrophobicContact CB-CE3 3.62Å; Q310-W329 HydrophobicContact CB-CZ3 3.57Å; Q310-W329 HydrophobicContact CG-CD2 3.98Å; Q310-W329 HydrophobicContact CG-CE3 3.44Å; Q310-W329 VanDerWaalsContact CG-CE3 3.44Å; Q310-W329 HydrophobicContact CG-CG 4.48Å; Q310-W329 HydrophobicContact CG-CZ3 3.8Å
311V82.8Confident80.1Confident2 Ų236.3 Ų36.31%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-108.5127.7173.3-174.90000109.4I301 V302 F304 K307 L322 N323 E324I301-V311 WeakPolarHBondContact CA-O 3.44Å; V302-V311 HydrophobicContact CG2-CB 4.05Å; V302-V311 HydrophobicContact CG2-CG1 4.41Å; V302-V311 WeakPolarHBondContact CG2-O 3.37Å; V302-V311 PolarHBondContact N-O 3.32Å; V302-V311 PolarHBondContact O-N 2.73Å; F304-V311 HydrophobicContact CD2-CB 3.95Å; F304-V311 HydrophobicContact CD2-CG1 4.44Å; F304-V311 HydrophobicContact CD2-CG2 3.55Å; F304-V311 HydrophobicContact CE2-CB 3.69Å; F304-V311 HydrophobicContact CE2-CG1 3.79Å; F304-V311 HydrophobicContact CE2-CG2 3.78Å; K307-V311 HydrophobicContact CD-CG2 4.17Å; V311-L322 HydrophobicContact CG1-CB 4.14Å; V311-L322 HydrophobicContact CG1-CD2 4.07Å; V311-N323 WeakPolarHBondContact CA-O 3.43Å; V311-N323 WeakPolarHBondContact CG1-O 3.44Å; V311-E324 HydrophobicContact CG2-CG 4.06Å
312M83.4Confident80.1Confident8 Ų837.9 Ų37.94%0.03922%0.215CC..EExtended strand (participates in β ladder)trans-87.4123.1173.8-170.1177.2-60.900109D231 D234 L238 G300 L322 N323 T325D231-M312 WeakPolarHBondContact O-CE 3.46Å; D234-M312 HydrophobicContact CB-CE 4.08Å; L238-M312 HydrophobicContact CD1-CE 3.79Å; L238-M312 HydrophobicContact CD1-CG 4.43Å; L238-M312 HydrophobicContact CD1-SD 4.02Å; G300-M312 WeakPolarHBondContact O-CA 3.38Å; M312-L322 WeakPolarHBondContact O-CA 3.41Å; M312-N323 PolarHBondContact N-O 3.45Å; M312-N323 PolarHBondContact O-N 3.42Å; M312-T325 HydrophobicContact CB-CG2 3.84Å; M312-T325 HydrophobicContact CE-CG2 4.24Å
313L85.6Confident79.8Confident1 Ų140.1 Ų40.11%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-97.7125.5169.7172.162.4000108.4I276 L298 K299 G300 Y320 L322 L338I276-L313 HydrophobicContact CD1-CD1 3.62Å; I276-L313 HydrophobicContact CD1-CD2 3.72Å; I276-L313 HydrophobicContact CD1-CG 4.33Å; L298-L313 HydrophobicContact CD1-CD2 4.25Å; L298-L313 HydrophobicContact CD2-CD1 4.41Å; L298-L313 HydrophobicContact CD2-CD2 3.88Å; L298-L313 HydrophobicContact CD2-CG 4.17Å; L298-L313 HydrophobicContact CG-CD2 4.09Å; L298-L313 HydrophobicContact CG-CG 4.17Å; K299-L313 CarbonylContact C-O 3.53Å; K299-L313 VanDerWaalsContact CA-O 3.29Å; K299-L313 WeakPolarHBondContact CA-O 3.42Å; G300-L313 PolarHBondContact N-O 2.96Å; G300-L313 PolarHBondContact O-N 3.17Å; L313-Y320 HydrophobicContact CD1-CD2 3.86Å; L313-L322 HydrophobicContact CB-CD2 3.76Å; L313-L322 HydrophobicContact CD1-CD2 3.6Å; L313-L322 HydrophobicContact CD1-CG 4.09Å; L313-L322 HydrophobicContact CG-CD2 4.2Å; L313-L338 HydrophobicContact CD2-CD2 3.7Å
314Q82.9Confident79.6Confident8 Ų844.9 Ų44.94%0.03725%0.249CC..EExtended strand (participates in β ladder)trans-135.3138.5174.6-177.416111.900110.4W133 F230 L298 K299 Y320 E321W133-Q314 HydrophobicContact CZ2-CG 4.3Å; F230-Q314 HydrophobicContact CD1-CG 4.41Å; F230-Q314 VanDerWaalsContact CG-NE2 3.35Å; L298-Q314 CarbonylContact O-C 3.57Å; L298-Q314 WeakPolarHBondContact O-CA 3.5Å; K299-Q314 HydrophobicContact CG-CG 4.43Å; Q314-Y320 CarbonylContact O-C 3.56Å; Q314-Y320 WeakPolarHBondContact O-CA 3.35Å; Q314-Y320 WeakPolarHBondContact O-CB 3.45Å; Q314-E321 PolarHBondContact N-O 2.85Å; Q314-E321 PolarHBondContact O-N 3.47Å
315G82.2Confident79.2Confident2 Ų244.8 Ų44.82%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-149.7147.5176.500000113.1R297 L298 L319R297-G315 WeakPolarHBondContact CA-O 3.47Å; L298-G315 PolarHBondContact N-O 2.76Å; L298-G315 PolarHBondContact O-N 3.34Å; G315-L319 CarbonylContact C-O 3.34Å; G315-L319 WeakPolarHBondContact CA-O 3.36Å
316V80.6Confident78.9Confident0 Ų046.6 Ų46.60%026%0.256CS..EExtended strand (participates in β ladder)trans-134123.4175.5172.50000107.2A129 W133 L178 F230 E318 L319A129-V316 HydrophobicContact CB-CG1 4.41Å; W133-V316 HydrophobicContact CH2-CB 3.99Å; W133-V316 HydrophobicContact CH2-CG2 3.56Å; W133-V316 HydrophobicContact CZ3-CB 3.61Å; W133-V316 HydrophobicContact CZ3-CG2 3.65Å; L178-V316 HydrophobicContact CD2-CG1 3.73Å; L178-V316 HydrophobicContact CD2-CG2 4.33Å; F230-V316 HydrophobicContact CE1-CG2 4.49Å; V316-E318 PolarHBondContact O-N 3.11Å; V316-E318 VanDerWaalsContact O-N 3.11Å; V316-L319 PolarHBondContact N-O 3.13Å; V316-L319 PolarHBondContact O-N 3.46Å; V316-L319 VanDerWaalsContact O-N 3.13Å
317H80.4Confident78.9Confident49 Ų4946.1 Ų46.123%0.22723%0.232CC..THydrogen-bonded Turntrans51.8-112.5-172.2-65.242.9000111.6D124 R174 L280 I296D124-H317 IonicContact OD1-CE1 2.69Å; D124-H317 IonicContact OD1-NE2 2.68Å; D124-H317 IonicContact OD2-CD2 3.73Å; D124-H317 IonicContact OD2-CE1 3.73Å; D124-H317 IonicContact OD2-NE2 3.97Å; D124-H317 PolarHBondContact OD2-NE2 3.1Å; R174-H317 PolarHBondContact NH1-NE2 2.83Å; L280-H317 WeakPolarHBondContact CD2-O 3.47Å; I296-H317 PolarHBondContact O-N 2.7Å
318E79.4Confident78.6Confident107 Ų10746.8 Ų46.850%0.524%0.238SC..THydrogen-bonded Turntrans-99-4.1-173.7-67177.5178.800112.9W281 V316W281-E318 PolarHBondContact NE1-O 2.87Å; V316-E318 PolarHBondContact O-N 3.11Å; V316-E318 VanDerWaalsContact O-N 3.11Å
319L81.1Confident78.3Confident54 Ų5443.7 Ų43.728%0.28322%0.216SC..EExtended strand (participates in β ladder)trans-103.3140.3179.5-59.9-179.9000110.1W133 V134 G315 V316W133-L319 HydrophobicContact CB-CD1 4.09Å; V134-L319 HydrophobicContact CG2-CD1 3.65Å; G315-L319 CarbonylContact C-O 3.34Å; G315-L319 WeakPolarHBondContact CA-O 3.36Å; V316-L319 PolarHBondContact N-O 3.13Å; V316-L319 PolarHBondContact O-N 3.46Å; V316-L319 VanDerWaalsContact O-N 3.13Å
320Y84.4Confident77.3Confident56 Ų5648.3 Ų48.322%0.2224%0.237CC..EExtended strand (participates in β ladder)trans-143.1157.7172.875.3-82.9000110.9N273 I276 L280 L313 Q314 L322N273-Y320 PolarHBondContact OD1-OH 3.44Å; I276-Y320 HydrophobicContact CB-CE1 4.41Å; I276-Y320 HydrophobicContact CD1-CD2 4.04Å; I276-Y320 HydrophobicContact CD1-CE2 4.08Å; I276-Y320 HydrophobicContact CG2-CD1 3.51Å; I276-Y320 HydrophobicContact CG2-CD2 4.24Å; I276-Y320 HydrophobicContact CG2-CE1 3.74Å; I276-Y320 HydrophobicContact CG2-CE2 4.44Å; I276-Y320 HydrophobicContact CG2-CG 3.78Å; L280-Y320 HydrophobicContact CD1-CD1 4.26Å; L313-Y320 HydrophobicContact CD1-CD2 3.86Å; Q314-Y320 CarbonylContact O-C 3.56Å; Q314-Y320 WeakPolarHBondContact O-CA 3.35Å; Q314-Y320 WeakPolarHBondContact O-CB 3.45Å; Y320-L322 HydrophobicContact CE2-CD1 4.38Å; Y320-L322 HydrophobicContact CE2-CG 4.5Å
321E81.4Confident76.2Confident72 Ų7254.3 Ų54.334%0.33627%0.265SS..EExtended strand (participates in β ladder)trans-138.5146.4179.7-165.5-179.7-177.900109.5W133 Q314 N323W133-E321 PolarHBondContact NE1-OE2 3.4Å; Q314-E321 PolarHBondContact N-O 2.85Å; Q314-E321 PolarHBondContact O-N 3.47Å; E321-N323 PolarHBondContact OE1-ND2 2.94Å; E321-N323 PolarHBondContact OE1-OD1 2.77Å; E321-N323 PolarHBondContact OE2-ND2 2.94Å
322L82.2Confident74.8Confident39 Ų3960.6 Ų60.620%0.20430%0.299CS..EExtended strand (participates in β ladder)trans-120.5109.6176.6-75.7169000108L272 N273 V302 F304 V311 M312 L313 Y320L272-L322 HydrophobicContact CD2-CD1 4.46Å; L272-L322 HydrophobicContact CD2-CD2 4.11Å; N273-L322 WeakPolarHBondContact OD1-CD1 3.42Å; V302-L322 HydrophobicContact CG2-CD2 4.3Å; F304-L322 HydrophobicContact CE2-CD2 4.49Å; F304-L322 HydrophobicContact CZ-CD1 4.32Å; F304-L322 HydrophobicContact CZ-CD2 4.29Å; V311-L322 HydrophobicContact CG1-CB 4.14Å; V311-L322 HydrophobicContact CG1-CD2 4.07Å; M312-L322 WeakPolarHBondContact O-CA 3.41Å; L313-L322 HydrophobicContact CB-CD2 3.76Å; L313-L322 HydrophobicContact CD1-CD2 3.6Å; L313-L322 HydrophobicContact CD1-CG 4.09Å; L313-L322 HydrophobicContact CG-CD2 4.2Å; Y320-L322 HydrophobicContact CE2-CD1 4.38Å; Y320-L322 HydrophobicContact CE2-CG 4.5Å
323N80.1Confident73.7Confident47 Ų4764.4 Ų64.425%0.25132%0.324SS..EExtended strand (participates in β ladder)trans-118.6129.8-177.6-73.9-31.4000111.8C232 V311 M312 E321 T325C232-N323 HydrophobicContact CB-CB 4.48Å; C232-N323 WeakPolarHBondContact SG-CB 3.46Å; V311-N323 WeakPolarHBondContact CA-O 3.43Å; V311-N323 WeakPolarHBondContact CG1-O 3.44Å; M312-N323 PolarHBondContact N-O 3.45Å; M312-N323 PolarHBondContact O-N 3.42Å; E321-N323 PolarHBondContact OE1-ND2 2.94Å; E321-N323 PolarHBondContact OE1-OD1 2.77Å; E321-N323 PolarHBondContact OE2-ND2 2.94Å; N323-T325 PolarHBondContact O-N 3.33Å
324E78.2Confident73.2Confident103 Ų10365.9 Ų65.948%0.48133%0.331SS..EExtended strand (participates in β ladder)trans-70.3128.3175.1-58.9-169.3-179.700109.9K307 V311K307-E324 WeakPolarHBondContact CD-OE1 3.48Å; K307-E324 VanDerWaalsContact CE-OE1 3.24Å; K307-E324 WeakPolarHBondContact CE-OE1 3.37Å; K307-E324 IonicContact NZ-OE1 3.9Å; K307-E324 PolarHBondContact NZ-OE1 2.89Å; V311-E324 HydrophobicContact CG2-CG 4.06Å
325T74.1Confident72.9Confident4 Ų467.2 Ų67.23%0.02534%0.34CS..EExtended strand (participates in β ladder)trans-86.7152.1176.272.90000109.5C232 H309 Q310 M312 N323 Q327C232-T325 WeakPolarHBondContact O-CB 3.38Å; C232-T325 WeakPolarHBondContact O-CG2 3.35Å; H309-T325 WeakPolarHBondContact CB-O 3.17Å; Q310-T325 WeakPolarHBondContact CB-OG1 3Å; Q310-T325 WeakPolarHBondContact O-CB 3.06Å; Q310-T325 WeakPolarHBondContact O-CG2 3.38Å; Q310-T325 PolarHBondContact O-N 3.4Å; Q310-T325 PolarHBondContact O-OG1 3.42Å; M312-T325 HydrophobicContact CB-CG2 3.84Å; M312-T325 HydrophobicContact CE-CG2 4.24Å; N323-T325 PolarHBondContact O-N 3.33Å; T325-Q327 PolarHBondContact O-N 2.96Å; T325-Q327 VanDerWaalsContact O-N 3.13Å; T325-Q327 PolarHBondContact OG1-N 3.03Å
326P65.6Low72.9Confident91 Ų9167.1 Ų67.159%0.59134%0.339SS*.EExtended strand (participates in β ladder)trans-69.9-3.9173.528.9-34.3000113.1Q233Q233-P326 HydrophobicContact CG-CG 4.27Å
327Q68.2Low73.1Confident75 Ų7568.6 Ų68.635%0.3535%0.345SS..EExtended strand (participates in β ladder)trans-84130.6-177.2-167.2164.820.100110.7H309 Q310 T325H309-Q327 WeakPolarHBondContact CA-O 3.43Å; Q310-Q327 HydrophobicContact CG-CB 4.41Å; Q310-Q327 PolarHBondContact N-O 3.4Å; T325-Q327 PolarHBondContact O-N 2.96Å; T325-Q327 VanDerWaalsContact O-N 3.13Å; T325-Q327 PolarHBondContact OG1-N 3.03Å
328L67.3Low73.3Confident78 Ų7866.4 Ų66.441%0.40833%0.334SS..EExtended strand (participates in β ladder)trans-78.8146.8175.1-63.7168000110.3V308 H309 E330V308-L328 HydrophobicContact CB-CD2 4.19Å; V308-L328 HydrophobicContact CG1-CD2 3.66Å; H309-L328 WeakPolarHBondContact NE2-CD2 3.31Å; L328-E330 HydrophobicContact CB-CG 4.38Å; L328-E330 PolarHBondContact O-N 2.93Å
329W66.9Low73.6Confident29 Ų2961.4 Ų61.411%0.1131%0.311CS..  trans-81.693.1171.3-141.6-58.9000109.7I301 V302 S303 V308 Q310 H334 T335I301-W329 HydrophobicContact CG2-CH2 3.79Å; I301-W329 HydrophobicContact CG2-CZ3 3.94Å; V302-W329 VanDerWaalsContact O-CZ3 3.3Å; V302-W329 WeakPolarHBondContact O-CZ3 3.28Å; S303-W329 VanDerWaalsContact CB-CZ3 3.46Å; V308-W329 PolarHBondContact O-N 3.28Å; Q310-W329 HydrophobicContact CB-CE3 3.62Å; Q310-W329 HydrophobicContact CB-CZ3 3.57Å; Q310-W329 HydrophobicContact CG-CD2 3.98Å; Q310-W329 HydrophobicContact CG-CE3 3.44Å; Q310-W329 VanDerWaalsContact CG-CE3 3.44Å; Q310-W329 HydrophobicContact CG-CG 4.48Å; Q310-W329 HydrophobicContact CG-CZ3 3.8Å; W329-H334 AromaticContact CD1-CD2 3.12Å; W329-H334 AromaticContact CD1-CG 3.76Å; W329-H334 AromaticContact CD1-NE2 3.84Å; W329-H334 HydrophobicContact CD2-CB 4.41Å; W329-H334 AromaticContact CG-CD2 3.58Å; W329-H334 AromaticContact CG-NE2 3.95Å; W329-H334 HydrophobicContact CZ2-CB 4.3Å; W329-H334 AromaticContact NE1-CD2 3.62Å; W329-H334 AromaticContact NE1-CG 3.86Å; W329-T335 WeakPolarHBondContact CZ2-O 3.5Å
330E56Low73.9Confident169 Ų16958.9 Ų58.979%0.7930%0.298SS*.  trans-86.7-25-177.9-63.6-175.3178.200112.9L328L328-E330 HydrophobicContact CB-CG 4.38Å; L328-E330 PolarHBondContact O-N 2.93Å
331E56.9Low74Confident146 Ų14656.4 Ų56.468%0.68229%0.288SS*.SBendtrans-91.3120.6-175.1-69.3-170.2162.800113.2P333 H334E331-P333 CarbonylContact O-C 3.6Å; E331-H334 PolarHBondContact O-CD2 3.4Å
332N54.7Low74.3Confident135 Ų13553 Ų5372%0.72227%0.272SS*.SBendtrans-104.1129167.9-85-61.8000110.4
333P60.2Low74.3Confident87 Ų8753.4 Ų53.457%0.56527%0.273SS*.SBendcis-77.4145.84.830.9-34.4000113.5T264 E331 T335T264-P333 HydrophobicContact CG2-CG 4.31Å; E331-P333 CarbonylContact O-C 3.6Å; P333-T335 PolarHBondContact O-N 3.13Å; P333-T335 PolarHBondContact O-OG1 3.07Å
334H73.5Confident74.3Confident33 Ų3352.8 Ų52.815%0.15327%0.269CS..  trans-58.5121.7173.6-59.6163.1000110.1T264 G265 D266 S303 W329 E331T264-H334 CarbonylContact C-O 3.56Å; T264-H334 VanDerWaalsContact CA-O 3.31Å; T264-H334 WeakPolarHBondContact CA-O 3.34Å; G265-H334 PolarHBondContact N-O 3.24Å; D266-H334 IonicContact OD1-CE1 2.94Å; D266-H334 IonicContact OD1-CG 2.67Å; D266-H334 IonicContact OD1-ND1 3.62Å; D266-H334 PolarHBondContact OD1-ND1 2.84Å; S303-H334 WeakPolarHBondContact OG-CB 3.45Å; W329-H334 AromaticContact CD1-CD2 3.12Å; W329-H334 AromaticContact CD1-CG 3.76Å; W329-H334 AromaticContact CD1-NE2 3.84Å; W329-H334 HydrophobicContact CD2-CB 4.41Å; W329-H334 AromaticContact CG-CD2 3.58Å; W329-H334 AromaticContact CG-NE2 3.95Å; W329-H334 HydrophobicContact CZ2-CB 4.3Å; W329-H334 AromaticContact NE1-CD2 3.62Å; W329-H334 AromaticContact NE1-CG 3.86Å; E331-H334 PolarHBondContact O-CD2 3.4Å
335T77.6Confident74.4Confident35 Ų3548.6 Ų48.622%0.21525%0.25CC..EExtended strand (participates in β ladder)trans-112103.3-176.4-58.40000110.1E262 W329 P333 R337E262-T335 HydrophobicContact CB-CG2 4.18Å; W329-T335 WeakPolarHBondContact CZ2-O 3.5Å; P333-T335 PolarHBondContact O-N 3.13Å; P333-T335 PolarHBondContact O-OG1 3.07Å; T335-R337 HydrophobicContact CG2-CG 4.4Å
336N82.8Confident74.8Confident1 Ų149.4 Ų49.41%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-74.2137.7174.8-47.6-78.1000109.5E262 V263 G265 I301 V302 S303E262-N336 CarbonylContact C-O 3.59Å; E262-N336 VanDerWaalsContact CA-O 3.27Å; E262-N336 WeakPolarHBondContact CA-O 3.13Å; V263-N336 PolarHBondContact N-O 3.44Å; V263-N336 WeakPolarHBondContact O-CB 3.47Å; V263-N336 PolarHBondContact O-N 2.96Å; V263-N336 PolarHBondContact O-ND2 3.33Å; G265-N336 PolarHBondContact O-ND2 3.48Å; I301-N336 WeakPolarHBondContact O-CA 3.23Å; V302-N336 WeakPolarHBondContact CA-OD1 3.35Å; S303-N336 PolarHBondContact N-OD1 2.93Å; S303-N336 PolarHBondContact OG-OD1 3.47Å
337R84Confident75.6Confident31 Ų3149.6 Ų49.612%0.11725%0.246CC..EExtended strand (participates in β ladder)trans-128.1127.4177.6-55.9-170175.5166.95.5109.8T239 L242 E262 G300 I301 T335T239-R337 PolarHBondContact O-NH1 2.91Å; T239-R337 VanDerWaalsContact O-NH1 3.11Å; L242-R337 HydrophobicContact CD1-CB 3.69Å; L242-R337 HydrophobicContact CD1-CG 4.39Å; E262-R337 HydrophobicContact CG-CG 3.96Å; E262-R337 WeakPolarHBondContact OE1-CD 3.25Å; E262-R337 IonicContact OE1-CZ 3.11Å; E262-R337 IonicContact OE1-NE 2.63Å; E262-R337 PolarHBondContact OE1-NE 3.49Å; E262-R337 IonicContact OE2-NE 2.85Å; G300-R337 CarbonylContact C-O 3.47Å; G300-R337 WeakPolarHBondContact CA-O 3.05Å; I301-R337 PolarHBondContact N-O 2.91Å; I301-R337 PolarHBondContact O-N 3.35Å; T335-R337 HydrophobicContact CG2-CG 4.4Å
338L85Confident76.3Confident2 Ų249.9 Ų49.91%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-128.6141.6-176.8-69.5153.6000110.5T260 F261 L298 V302 L313 F340 F354T260-L338 WeakPolarHBondContact CA-O 3.35Å; F261-L338 HydrophobicContact CE2-CB 4.24Å; F261-L338 HydrophobicContact CE2-CD1 3.68Å; F261-L338 HydrophobicContact CZ-CB 4.21Å; F261-L338 HydrophobicContact CZ-CD1 3.95Å; F261-L338 PolarHBondContact N-O 3.35Å; F261-L338 VanDerWaalsContact N-O 3.15Å; F261-L338 PolarHBondContact O-N 3.23Å; F261-L338 VanDerWaalsContact O-N 3.08Å; L298-L338 HydrophobicContact CD1-CD2 4.38Å; V302-L338 HydrophobicContact CG1-CD2 4.04Å; V302-L338 HydrophobicContact CG1-CG 4.47Å; L313-L338 HydrophobicContact CD2-CD2 3.7Å; L338-F340 HydrophobicContact CB-CD2 4.43Å; L338-F340 HydrophobicContact CB-CE2 3.65Å; L338-F340 HydrophobicContact CB-CZ 4.29Å; L338-F340 HydrophobicContact CD2-CZ 4.46Å; L338-F340 HydrophobicContact CG-CE2 4.49Å; L338-F354 HydrophobicContact CD1-CD1 4.4Å; L338-F354 HydrophobicContact CD1-CD2 3.87Å; L338-F354 HydrophobicContact CD1-CE1 3.88Å; L338-F354 HydrophobicContact CD1-CE2 3.27Å; L338-F354 HydrophobicContact CD1-CG 4.38Å; L338-F354 HydrophobicContact CD1-CZ 3.27Å
339V86Confident77Confident3 Ų347.8 Ų47.82%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-129.2123.8175.4-175.90000109.7L208 L242 T258 A259 T260 L298 K299 I341L208-V339 HydrophobicContact CD1-CB 3.83Å; L208-V339 HydrophobicContact CD1-CG1 3.68Å; L208-V339 HydrophobicContact CD1-CG2 3.87Å; L208-V339 HydrophobicContact CD2-CG2 4.32Å; L208-V339 HydrophobicContact CG-CG1 4.11Å; L208-V339 HydrophobicContact CG-CG2 4.37Å; L242-V339 HydrophobicContact CD2-CG2 3.21Å; T258-V339 HydrophobicContact CG2-CG1 3.68Å; A259-V339 WeakPolarHBondContact O-CA 3.42Å; T260-V339 HydrophobicContact CG2-CG2 3.8Å; L298-V339 WeakPolarHBondContact CA-O 3.41Å; L298-V339 WeakPolarHBondContact CD1-O 3.4Å; K299-V339 PolarHBondContact N-O 3.09Å; K299-V339 PolarHBondContact O-N 2.96Å; V339-I341 HydrophobicContact CG1-CG1 4.17Å
340F86.9Confident77.8Confident1 Ų146.4 Ų46.40%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-114130.5174-59.4-93.8000107.9T258 A259 F261 F275 L279 V295 L298 L338 L345T258-F340 CarbonylContact C-O 3.58Å; T258-F340 WeakPolarHBondContact CA-O 3.18Å; A259-F340 PolarHBondContact N-O 3.43Å; A259-F340 PolarHBondContact O-N 2.92Å; F261-F340 HydrophobicContact CD1-CD2 4.44Å; F261-F340 HydrophobicContact CD1-CE2 4.34Å; F261-F340 AromaticContact CE1-CD2 3.69Å; F261-F340 HydrophobicContact CE1-CD2 3.69Å; F261-F340 AromaticContact CE1-CE2 3.3Å; F261-F340 HydrophobicContact CE1-CE2 3.3Å; F261-F340 HydrophobicContact CE1-CZ 4.36Å; F261-F340 HydrophobicContact CZ-CD2 4.33Å; F261-F340 AromaticContact CZ-CE2 3.49Å; F261-F340 HydrophobicContact CZ-CE2 3.49Å; F261-F340 VanDerWaalsContact CZ-CE2 3.49Å; F261-F340 HydrophobicContact CZ-CZ 4.24Å; F275-F340 HydrophobicContact CE1-CZ 4.21Å; L279-F340 HydrophobicContact CD2-CD1 3.74Å; L279-F340 HydrophobicContact CD2-CE1 3.37Å; L279-F340 HydrophobicContact CD2-CZ 4.33Å; V295-F340 HydrophobicContact CG1-CD1 4.32Å; V295-F340 HydrophobicContact CG2-CD1 4.12Å; L298-F340 HydrophobicContact CD1-CD1 3.55Å; L298-F340 HydrophobicContact CD1-CD2 4.43Å; L298-F340 HydrophobicContact CD1-CE1 3.26Å; L298-F340 HydrophobicContact CD1-CE2 4.19Å; L298-F340 HydrophobicContact CD1-CG 4.13Å; L298-F340 HydrophobicContact CD1-CZ 3.62Å; L298-F340 HydrophobicContact CD2-CE1 3.98Å; L298-F340 HydrophobicContact CG-CD1 4.46Å; L298-F340 HydrophobicContact CG-CE1 4.17Å; L338-F340 HydrophobicContact CB-CD2 4.43Å; L338-F340 HydrophobicContact CB-CE2 3.65Å; L338-F340 HydrophobicContact CB-CZ 4.29Å; L338-F340 HydrophobicContact CD2-CZ 4.46Å; L338-F340 HydrophobicContact CG-CE2 4.49Å; F340-L345 HydrophobicContact CB-CD1 3.8Å; F340-L345 WeakPolarHBondContact O-CD1 3.16Å
341I86.8Confident79.1Confident3 Ų341 Ų412%0.01521%0.208CC..EExtended strand (participates in β ladder)trans-119123.6173.3-51.8176000107A177 I205 N206 I256 L257 T258 I296 R297 V339A177-I341 HydrophobicContact CB-CG2 3.71Å; I205-I341 WeakPolarHBondContact O-CG2 3.32Å; N206-I341 HydrophobicContact CB-CD1 4.3Å; N206-I341 WeakPolarHBondContact OD1-CD1 3.37Å; I256-I341 HydrophobicContact CG2-CG2 3.78Å; L257-I341 WeakPolarHBondContact O-CA 3.24Å; T258-I341 HydrophobicContact CG2-CG1 4.24Å; I296-I341 PolarHBondContact N-O 2.77Å; R297-I341 HydrophobicContact CB-CB 4.16Å; R297-I341 HydrophobicContact CB-CD1 4.38Å; R297-I341 PolarHBondContact N-O 3.4Å; R297-I341 PolarHBondContact O-N 2.74Å; V339-I341 HydrophobicContact CG1-CG1 4.17Å
342G86.1Confident80.4Confident0 Ų040.6 Ų40.60%021%0.206CC..EExtended strand (participates in β ladder)trans178.2-179.8-169.100000114.7I256 L257 S294I256-G342 CarbonylContact C-O 3.58Å; I256-G342 WeakPolarHBondContact CA-O 3.41Å; L257-G342 PolarHBondContact N-O 3.48Å; L257-G342 PolarHBondContact O-N 3.22Å; S294-G342 CarbonylContact O-C 3.58Å; S294-G342 WeakPolarHBondContact O-CA 3.36Å
343K82.9Confident81.7Confident49 Ų4936 Ų3621%0.21318%0.182CC..EExtended strand (participates in β ladder)trans-90.7142.7178.6178.5166.6-179.4-174.60111.2V169 S255 S294 L345V169-K343 HydrophobicContact CG2-CD 4.47Å; S255-K343 VanDerWaalsContact O-CA 3.24Å; S255-K343 WeakPolarHBondContact O-CA 3.47Å; S255-K343 WeakPolarHBondContact O-CB 3.21Å; S255-K343 WeakPolarHBondContact O-CG 3.45Å; S294-K343 PolarHBondContact N-O 3.39Å; S294-K343 PolarHBondContact O-N 2.68Å; K343-L345 PolarHBondContact O-N 3.14Å; K343-L345 VanDerWaalsContact O-N 3.13Å
344N79.8Confident82.8Confident33 Ų3331.9 Ų31.918%0.17616%0.155CC..SBendtrans57.724.3174.3-63.7-8000113.8N287 E291 M293 D346N287-N344 WeakPolarHBondContact CB-O 2.98Å; E291-N344 WeakPolarHBondContact CB-ND2 3.33Å; E291-N344 PolarHBondContact OE2-ND2 2.94Å; E291-N344 VanDerWaalsContact OE2-ND2 3.11Å; M293-N344 WeakPolarHBondContact CG-O 2.82Å; N344-D346 PolarHBondContact O-N 3.44Å
345L81.4Confident83.3Confident15 Ų1534 Ų348%0.07917%0.166CC..  trans-67.5128.5-178.8-59.7-175.2000111A259 M293 V295 F340 K343 L350A259-L345 HydrophobicContact CB-CB 4.17Å; A259-L345 HydrophobicContact CB-CD1 4.12Å; M293-L345 HydrophobicContact CB-CD2 4.14Å; M293-L345 HydrophobicContact SD-CD2 4.43Å; V295-L345 HydrophobicContact CG2-CD2 4.1Å; F340-L345 HydrophobicContact CB-CD1 3.8Å; F340-L345 WeakPolarHBondContact O-CD1 3.16Å; K343-L345 PolarHBondContact O-N 3.14Å; K343-L345 VanDerWaalsContact O-N 3.13Å; L345-L350 HydrophobicContact CB-CD1 4.38Å; L345-L350 HydrophobicContact CD2-CD1 4.32Å
346D82.1Confident83.5Confident22 Ų2236.2 Ų36.212%0.11818%0.183CC..  trans-110110167.6-168.1-39.2000109.4K288 M293 N344 N348 I349 L350K288-D346 WeakPolarHBondContact CD-OD2 3.32Å; K288-D346 VanDerWaalsContact CE-OD2 3.24Å; K288-D346 WeakPolarHBondContact CE-OD2 3.39Å; K288-D346 WeakPolarHBondContact CG-OD2 3.38Å; M293-D346 HydrophobicContact CE-CB 3.56Å; N344-D346 PolarHBondContact O-N 3.44Å; D346-N348 VanDerWaalsContact C-N 3.26Å; D346-N348 PolarHBondContact O-N 2.94Å; D346-N348 PolarHBondContact OD1-N 2.81Å; D346-N348 PolarHBondContact OD1-ND2 3.37Å; D346-I349 HydrophobicContact CB-CB 4.18Å; D346-I349 HydrophobicContact CB-CD1 3.97Å; D346-I349 HydrophobicContact CB-CG1 4.13Å; D346-I349 PolarHBondContact O-N 3.24Å; D346-L350 WeakPolarHBondContact O-CG 3.45Å; D346-L350 PolarHBondContact O-N 3.3Å
347K82.3Confident83.2Confident95 Ų9539.4 Ų39.441%0.41320%0.202SC..Hα-helixtrans-54.9-40.5-180173.1176.4167.8162.60112.6A259 T260 Q351A259-K347 HydrophobicContact CB-CB 4.28Å; T260-K347 WeakPolarHBondContact O-CD 3.38Å; T260-K347 WeakPolarHBondContact O-CE 3.46Å; T260-K347 PolarHBondContact O-NZ 2.99Å; K347-Q351 VanDerWaalsContact O-CB 3.25Å; K347-Q351 WeakPolarHBondContact O-CB 3.39Å; K347-Q351 PolarHBondContact O-N 2.76Å
348N82Confident82.9Confident81 Ų8138 Ų3843%0.43320%0.197SC..Hα-helixtrans-71.4-44.3-173.1-52.4-67000110.4D346 Q351 E352D346-N348 VanDerWaalsContact C-N 3.26Å; D346-N348 PolarHBondContact O-N 2.94Å; D346-N348 PolarHBondContact OD1-N 2.81Å; D346-N348 PolarHBondContact OD1-ND2 3.37Å; N348-Q351 PolarHBondContact O-N 2.93Å; N348-E352 WeakPolarHBondContact O-CB 3.36Å; N348-E352 WeakPolarHBondContact O-CG 3.22Å; N348-E352 PolarHBondContact O-N 3.06Å
349I83.1Confident82.4Confident34 Ų3438.7 Ų38.717%0.17420%0.202CC..Hα-helixtrans-63.3-46177.9-62.8176.8000109.9K288 M293 D346 Q351 E352 I353K288-I349 HydrophobicContact CG-CD1 3.93Å; M293-I349 HydrophobicContact CE-CB 4.07Å; M293-I349 HydrophobicContact CE-CD1 4.29Å; M293-I349 HydrophobicContact CE-CG2 4.07Å; D346-I349 HydrophobicContact CB-CB 4.18Å; D346-I349 HydrophobicContact CB-CD1 3.97Å; D346-I349 HydrophobicContact CB-CG1 4.13Å; D346-I349 PolarHBondContact O-N 3.24Å; I349-Q351 VanDerWaalsContact C-N 3.33Å; I349-Q351 PolarHBondContact O-N 3.14Å; I349-E352 PolarHBondContact O-N 3.49Å; I349-I353 HydrophobicContact CG2-CD1 3.57Å; I349-I353 HydrophobicContact CG2-CG1 4.3Å; I349-I353 WeakPolarHBondContact O-CB 3.41Å; I349-I353 WeakPolarHBondContact O-CG1 3.41Å; I349-I353 PolarHBondContact O-N 2.82Å
350L83.1Confident81.3Confident0 Ų043 Ų430%022%0.223CC..Hα-helixtrans-59.8-44.4177.4-72171.1000111.8A259 F261 F275 L279 M293 L345 D346 F354A259-L350 HydrophobicContact CB-CD1 4.35Å; F261-L350 HydrophobicContact CE1-CB 3.87Å; F275-L350 HydrophobicContact CZ-CD2 4.45Å; L279-L350 HydrophobicContact CD1-CD2 3.87Å; L279-L350 HydrophobicContact CD2-CD2 4.49Å; M293-L350 HydrophobicContact SD-CD1 4.19Å; M293-L350 HydrophobicContact SD-CD2 3.91Å; M293-L350 HydrophobicContact SD-CG 3.88Å; L345-L350 HydrophobicContact CB-CD1 4.38Å; L345-L350 HydrophobicContact CD2-CD1 4.32Å; D346-L350 WeakPolarHBondContact O-CG 3.45Å; D346-L350 PolarHBondContact O-N 3.3Å; L350-F354 WeakPolarHBondContact O-CB 3.37Å; L350-F354 PolarHBondContact O-N 3.4Å
351Q84.7Confident79.6Confident56 Ų5648.4 Ų48.426%0.26225%0.252SS..Hα-helixtrans-66.6-44.1179.6-176.7175.4-8.700112.1F261 K347 N348 I349 F354 I355F261-Q351 HydrophobicContact CB-CB 4.27Å; F261-Q351 HydrophobicContact CB-CG 4.26Å; F261-Q351 HydrophobicContact CD1-CB 4.38Å; F261-Q351 HydrophobicContact CD2-CB 4.23Å; F261-Q351 HydrophobicContact CD2-CG 4.16Å; F261-Q351 HydrophobicContact CG-CB 4.06Å; F261-Q351 HydrophobicContact CG-CG 4.28Å; K347-Q351 VanDerWaalsContact O-CB 3.25Å; K347-Q351 WeakPolarHBondContact O-CB 3.39Å; K347-Q351 PolarHBondContact O-N 2.76Å; N348-Q351 PolarHBondContact O-N 2.93Å; I349-Q351 VanDerWaalsContact C-N 3.33Å; I349-Q351 PolarHBondContact O-N 3.14Å; Q351-F354 PolarHBondContact O-N 2.98Å; Q351-I355 HydrophobicContact CG-CD1 3.82Å; Q351-I355 WeakPolarHBondContact O-CB 3.24Å; Q351-I355 VanDerWaalsContact O-CG1 3.23Å; Q351-I355 WeakPolarHBondContact O-CG1 3.35Å; Q351-I355 PolarHBondContact O-N 2.87Å
352E83.4Confident77.6Confident136 Ų13651.7 Ų51.764%0.63629%0.287SS*.Hα-helixtrans-62.4-46.8178.3-77.5176.5-172.100111.7N348 I349 I355 S356N348-E352 WeakPolarHBondContact O-CB 3.36Å; N348-E352 WeakPolarHBondContact O-CG 3.22Å; N348-E352 PolarHBondContact O-N 3.06Å; I349-E352 PolarHBondContact O-N 3.49Å; E352-I355 PolarHBondContact O-N 3.01Å; E352-S356 WeakPolarHBondContact O-CB 3.42Å; E352-S356 PolarHBondContact O-N 2.92Å; E352-S356 PolarHBondContact O-OG 3.17Å
353I82.1Confident75.6Confident40 Ų4055.5 Ų55.521%0.20531%0.309CS..Hα-helixtrans-65.1-45.1179.5-64173.9000109.8F275 F285 I349 I355 S356 T357F275-I353 HydrophobicContact CD2-CG2 3.91Å; F275-I353 HydrophobicContact CE2-CB 4.17Å; F275-I353 HydrophobicContact CE2-CG2 3.64Å; F285-I353 HydrophobicContact CD1-CD1 3.35Å; F285-I353 HydrophobicContact CD1-CG2 4.43Å; F285-I353 HydrophobicContact CE1-CB 4.48Å; F285-I353 HydrophobicContact CE1-CD1 3.55Å; F285-I353 HydrophobicContact CE1-CG1 4.49Å; F285-I353 HydrophobicContact CE1-CG2 3.6Å; F285-I353 HydrophobicContact CG-CD1 4.32Å; F285-I353 HydrophobicContact CZ-CG2 3.87Å; I349-I353 HydrophobicContact CG2-CD1 3.57Å; I349-I353 HydrophobicContact CG2-CG1 4.3Å; I349-I353 WeakPolarHBondContact O-CB 3.41Å; I349-I353 WeakPolarHBondContact O-CG1 3.41Å; I349-I353 PolarHBondContact O-N 2.82Å; I353-I355 PolarHBondContact O-N 2.98Å; I353-S356 WeakPolarHBondContact CA-OG 3.37Å; I353-S356 PolarHBondContact O-N 3.11Å; I353-S356 VanDerWaalsContact O-N 3.14Å; I353-S356 PolarHBondContact O-OG 2.76Å; I353-T357 WeakPolarHBondContact O-CB 3.33Å; I353-T357 PolarHBondContact O-N 3.16Å; I353-T357 PolarHBondContact O-OG1 3.06Å
354F83.9Confident73.5Confident0 Ų060.5 Ų60.50%033%0.331CS..Hα-helixtrans-57.6-47.3177.5-174.2-88.2000111.9F261 V263 L267 L272 F275 L338 L350 Q351 S356 T357 V358 V359F261-F354 HydrophobicContact CE2-CB 3.99Å; F261-F354 AromaticContact CE2-CD1 3.95Å; F261-F354 HydrophobicContact CE2-CD1 3.95Å; F261-F354 HydrophobicContact CE2-CD2 4.33Å; F261-F354 AromaticContact CE2-CG 3.82Å; F261-F354 HydrophobicContact CE2-CG 3.82Å; F261-F354 HydrophobicContact CZ-CB 4.03Å; F261-F354 HydrophobicContact CZ-CD2 4.31Å; F261-F354 HydrophobicContact CZ-CG 4.08Å; V263-F354 HydrophobicContact CB-CD1 4.4Å; V263-F354 HydrophobicContact CB-CE1 4.23Å; V263-F354 HydrophobicContact CG1-CD1 4.48Å; V263-F354 HydrophobicContact CG1-CE1 4.4Å; V263-F354 HydrophobicContact CG2-CD1 3.93Å; V263-F354 HydrophobicContact CG2-CE1 4.19Å; L267-F354 HydrophobicContact CD1-CE1 4.28Å; L267-F354 HydrophobicContact CD1-CZ 3.59Å; L267-F354 HydrophobicContact CD2-CE1 3.82Å; L267-F354 HydrophobicContact CD2-CZ 3.93Å; L267-F354 HydrophobicContact CG-CZ 4.44Å; L272-F354 HydrophobicContact CD1-CE2 3.62Å; L272-F354 HydrophobicContact CD1-CZ 4.25Å; F275-F354 HydrophobicContact CD1-CD2 4.03Å; F275-F354 AromaticContact CE1-CD2 3.83Å; F275-F354 HydrophobicContact CE1-CD2 3.83Å; F275-F354 HydrophobicContact CE2-CB 4.33Å; F275-F354 HydrophobicContact CZ-CB 4.22Å; F275-F354 HydrophobicContact CZ-CD2 4.14Å; L338-F354 HydrophobicContact CD1-CD1 4.4Å; L338-F354 HydrophobicContact CD1-CD2 3.87Å; L338-F354 HydrophobicContact CD1-CE1 3.88Å; L338-F354 HydrophobicContact CD1-CE2 3.27Å; L338-F354 HydrophobicContact CD1-CG 4.38Å; L338-F354 HydrophobicContact CD1-CZ 3.27Å; L350-F354 WeakPolarHBondContact O-CB 3.37Å; L350-F354 PolarHBondContact O-N 3.4Å; Q351-F354 PolarHBondContact O-N 2.98Å; F354-S356 VanDerWaalsContact C-N 3.33Å; F354-S356 PolarHBondContact O-N 2.87Å; F354-T357 PolarHBondContact O-N 3.47Å; F354-V358 HydrophobicContact CD1-CB 4.48Å; F354-V358 HydrophobicContact CD2-CB 4.23Å; F354-V358 HydrophobicContact CD2-CG2 3.86Å; F354-V358 HydrophobicContact CE1-CB 4.34Å; F354-V358 HydrophobicContact CE2-CB 4.08Å; F354-V358 HydrophobicContact CE2-CG1 4.02Å; F354-V358 HydrophobicContact CE2-CG2 4Å; F354-V358 HydrophobicContact CG-CB 4.43Å; F354-V358 HydrophobicContact CG-CG2 4.31Å; F354-V358 HydrophobicContact CZ-CB 4.14Å; F354-V358 HydrophobicContact CZ-CG1 3.95Å; F354-V358 WeakPolarHBondContact O-CA 3.41Å; F354-V358 VanDerWaalsContact O-CB 3.28Å; F354-V358 WeakPolarHBondContact O-CB 3.18Å; F354-V358 PolarHBondContact O-N 3.1Å; F354-V359 HydrophobicContact CD1-CG2 4.47Å; F354-V359 HydrophobicContact CE1-CG2 4.38Å
355I83.8Confident71.3Confident78 Ų7868.8 Ų68.840%0.437%0.366SS..Hα-helixtrans-62.5-41.8176.9-68.2166.2000111V263 Q351 E352 I353 T357 V359V263-I355 HydrophobicContact CG1-CG1 3.86Å; V263-I355 HydrophobicContact CG2-CD1 4.38Å; V263-I355 HydrophobicContact CG2-CG1 4.01Å; Q351-I355 HydrophobicContact CG-CD1 3.82Å; Q351-I355 WeakPolarHBondContact O-CB 3.24Å; Q351-I355 VanDerWaalsContact O-CG1 3.23Å; Q351-I355 WeakPolarHBondContact O-CG1 3.35Å; Q351-I355 PolarHBondContact O-N 2.87Å; E352-I355 PolarHBondContact O-N 3.01Å; I353-I355 PolarHBondContact O-N 2.98Å; I355-T357 PolarHBondContact O-N 3.46Å; I355-V359 HydrophobicContact CG1-CG2 4.5Å
356S81.8Confident69.1Low81 Ų8172.4 Ų72.457%0.56640%0.398SS*.Hα-helixtrans-69.6-31.4-176.9750000114.1E352 I353 F354E352-S356 WeakPolarHBondContact O-CB 3.42Å; E352-S356 PolarHBondContact O-N 2.92Å; E352-S356 PolarHBondContact O-OG 3.17Å; I353-S356 WeakPolarHBondContact CA-OG 3.37Å; I353-S356 PolarHBondContact O-N 3.11Å; I353-S356 VanDerWaalsContact O-N 3.14Å; I353-S356 PolarHBondContact O-OG 2.76Å; F354-S356 VanDerWaalsContact C-N 3.33Å; F354-S356 PolarHBondContact O-N 2.87Å
357T76.6Confident66.8Low67 Ų6775 Ų7541%0.41143%0.43SS..Hα-helixtrans-103.6-38.9-170.2-56.50000111.9A271 I353 F354 I355A271-T357 VanDerWaalsContact CB-O 3.32Å; A271-T357 WeakPolarHBondContact CB-O 3.4Å; I353-T357 WeakPolarHBondContact O-CB 3.33Å; I353-T357 PolarHBondContact O-N 3.16Å; I353-T357 PolarHBondContact O-OG1 3.06Å; F354-T357 PolarHBondContact O-N 3.47Å; I355-T357 PolarHBondContact O-N 3.46Å
358V76.6Confident64.5Low1 Ų180.9 Ų80.91%0.00647%0.473CS..Hα-helixtrans-104.7-31.7-164.3-1690000113.4L267 C268 L272 F275 F354L267-V358 HydrophobicContact CB-CG1 4.04Å; L267-V358 HydrophobicContact CD1-CG1 4.07Å; L267-V358 HydrophobicContact CD2-CG1 4Å; L267-V358 HydrophobicContact CG-CG1 4.26Å; C268-V358 PolarHBondContact N-O 3.36Å; C268-V358 VanDerWaalsContact N-O 3.17Å; L272-V358 HydrophobicContact CB-CG1 3.73Å; L272-V358 HydrophobicContact CD1-CG1 3.96Å; L272-V358 HydrophobicContact CG-CG1 4.45Å; F275-V358 HydrophobicContact CB-CG2 3.73Å; F275-V358 HydrophobicContact CD2-CG2 4.4Å; F275-V358 HydrophobicContact CG-CG2 3.97Å; F354-V358 HydrophobicContact CD1-CB 4.48Å; F354-V358 HydrophobicContact CD2-CB 4.23Å; F354-V358 HydrophobicContact CD2-CG2 3.86Å; F354-V358 HydrophobicContact CE1-CB 4.34Å; F354-V358 HydrophobicContact CE2-CB 4.08Å; F354-V358 HydrophobicContact CE2-CG1 4.02Å; F354-V358 HydrophobicContact CE2-CG2 4Å; F354-V358 HydrophobicContact CG-CB 4.43Å; F354-V358 HydrophobicContact CG-CG2 4.31Å; F354-V358 HydrophobicContact CZ-CB 4.14Å; F354-V358 HydrophobicContact CZ-CG1 3.95Å; F354-V358 WeakPolarHBondContact O-CA 3.41Å; F354-V358 VanDerWaalsContact O-CB 3.28Å; F354-V358 WeakPolarHBondContact O-CB 3.18Å; F354-V358 PolarHBondContact O-N 3.1Å
359V75.3Confident63.6Low18 Ų1880.9 Ų80.911%0.10948%0.475CS..BIsolated β-bridgetrans-79.2128.2-178.3-178.20000109.8V263 L267 F354 I355V263-V359 HydrophobicContact CG1-CG2 3.5Å; L267-V359 HydrophobicContact CD2-CG2 3.96Å; F354-V359 HydrophobicContact CD1-CG2 4.47Å; F354-V359 HydrophobicContact CE1-CG2 4.38Å; I355-V359 HydrophobicContact CG1-CG2 4.5Å
360M63Low62.6Low93 Ų9383.4 Ų83.446%0.45849%0.491SS..  trans-66.2145.1177-67.9-151.8-176.200111.8D266 C268 A305 G362D266-M360 PolarHBondContact O-N 3.49Å; C268-M360 HydrophobicContact CB-CE 3.59Å; C268-M360 HydrophobicContact CB-CG 4.23Å; A305-M360 HydrophobicContact CB-CE 4.14Å; A305-M360 HydrophobicContact CB-SD 4.37Å; M360-G362 PolarHBondContact O-N 3.03Å
361D50.2Low61.5Low115 Ų11588 Ų8862%0.61552%0.518SS*.THydrogen-bonded Turntrans-68.946.5-176.1-88.8-12.4000114.9K364D361-K364 WeakPolarHBondContact OD1-CD 3.48Å; D361-K364 WeakPolarHBondContact OD1-CE 3.15Å; D361-K364 WeakPolarHBondContact OD1-CG 3.41Å; D361-K364 IonicContact OD1-NZ 2.76Å; D361-K364 PolarHBondContact OD1-NZ 3.34Å; D361-K364 IonicContact OD2-NZ 2.77Å; D361-K364 PolarHBondContact OD2-NZ 2.89Å
362G46.3Very low60.1Low72 Ų7289.9 Ų89.974%0.74253%0.533SS*.THydrogen-bonded Turntrans-93.9-19164.800000113.6M360M360-G362 PolarHBondContact O-N 3.03Å
363V42.5Very low58.7Low79 Ų7987 Ų8748%0.47953%0.527SS..SBendtrans-118.311.3-170.9-166.30000113.2K365V363-K365 PolarHBondContact O-N 3.08Å
364K40Very low57.1Low155 Ų15590.1 Ų90.167%0.67455%0.549SS*.THydrogen-bonded Turntrans-63.46.7171.1-90.6-172.4-176.71480114.8D361D361-K364 WeakPolarHBondContact OD1-CD 3.48Å; D361-K364 WeakPolarHBondContact OD1-CE 3.15Å; D361-K364 WeakPolarHBondContact OD1-CG 3.41Å; D361-K364 IonicContact OD1-NZ 2.76Å; D361-K364 PolarHBondContact OD1-NZ 3.34Å; D361-K364 IonicContact OD2-NZ 2.77Å; D361-K364 PolarHBondContact OD2-NZ 2.89Å
365K33.3Very low55.2Low207 Ų20796.6 Ų96.690%0.959%0.588SS**THydrogen-bonded Turntrans-125.711-172.6-90.7-169.8177.81800117.1V363V363-K365 PolarHBondContact O-N 3.08Å
366A34.7Very low53Low91 Ų9198 Ų9875%0.75260%0.602SS**SBendtrans-126.176174.300000111.1
367G34.4Very low50.6Low77 Ų7799.4 Ų99.479%0.79461%0.605SS**  trans172.260.8176.500000112.5
368V34Very low48.2Very low218 Ų218102.4 Ų102.4100%1.32162%0.623SS**  trans-92.70152.5174.40000107.2

Retrieved 368 of 368 residues in 132.7 ms (Link to these results)

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