A0A087XGD8_POEFO Loading...

6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 4a

AlphaFold DB , UniProt , Accession A0A087XGD8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 454 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
1M38.7Very low29.3Very low241 Ų241159.6 Ų159.6100%1.18789%0.89SS**  0143.90-78.1-175.2-16900108.7
2R29Very low29.3Very low253 Ų253161.3 Ų161.396%0.95589%0.886SS**  trans78102.6-166.8-50.6-177.7-172-162.22.3111.6
3G29Very low29.4Very low79 Ų79161.9 Ų161.981%0.81489%0.888SS**  cis99.992.217.800000110
4C27Very low29.7Very low136 Ų136162.6 Ų162.692%0.91988%0.881SS**  trans-153.5116.7154.5-145.30000109.7
5S31.8Very low30.2Very low117 Ų117157.2 Ų157.282%0.81888%0.879SS**  trans-88.2138.4178.860.80000111
6S29.7Very low30.5Very low114 Ų114159.9 Ų159.980%0.79788%0.879SS**  trans-145.998.4159.258.70000111.6
7R27.9Very low31.5Very low238 Ų238156 Ų15690%0.89887%0.872SS**  trans14.7103.9147.6-72.4172.9172.8-178.7-4117.1K9R7-K9 PolarHBondContact O-N 2.79Å
8C25.2Very low32Very low138 Ų138154.4 Ų154.493%0.93287%0.866SS**  trans-69.5113.6151-80.90000109
9K27.3Very low32.7Very low184 Ų184150.2 Ų150.280%0.885%0.847SS**  trans-88120.4158.5-81-177.8173.9-177.70107.4R7 T11R7-K9 PolarHBondContact O-N 2.79Å; K9-T11 PolarHBondContact O-N 3.07Å
10S28.3Very low33.6Very low118 Ų118147.4 Ų147.483%0.82583%0.828SS**  trans-62.3105.2170.750.50000110
11T28.6Very low34.8Very low138 Ų138141 Ų14185%0.84779%0.792SS**  trans-74.5122.8163.826.90000108.7K9 N13K9-T11 PolarHBondContact O-N 3.07Å; T11-N13 PolarHBondContact O-N 3.02Å
12Q29.7Very low36.4Very low180 Ų180136.9 Ų136.984%0.84178%0.775SS**  trans-54130.2174.7-76167.2-3200110.2Q14Q12-Q14 VanDerWaalsContact C-N 3.32Å; Q12-Q14 PolarHBondContact O-N 3.07Å
13N29.9Very low39.2Very low169 Ų169127.1 Ų127.190%0.90475%0.745SS**  trans-70.587173.2-130.23.5000107.9T11 G15T11-N13 PolarHBondContact O-N 3.02Å; N13-G15 PolarHBondContact O-N 3.16Å
14Q34Very low42.4Very low171 Ų171125 Ų12580%0.79972%0.717SS**  trans-67.1124.5161.8-75.2-177.5-8.600107.3Q12 K16Q12-Q14 VanDerWaalsContact C-N 3.32Å; Q12-Q14 PolarHBondContact O-N 3.07Å; Q14-K16 PolarHBondContact O-N 3.29Å
15G36.8Very low45.8Very low82 Ų82118.6 Ų118.685%0.84567%0.674SS**  trans-54.2105.4-176.400000111.2N13 A17N13-G15 PolarHBondContact O-N 3.16Å; G15-A17 PolarHBondContact O-N 3.29Å
16K35.6Very low49Very low201 Ų201113 Ų11387%0.87464%0.635SS**  trans-68115.6166.5-82.4-179172.7-178.60107.4Q14 V18Q14-K16 PolarHBondContact O-N 3.29Å; K16-V18 PolarHBondContact O-N 2.95Å
17A46.4Very low52.2Low93 Ų93107.6 Ų107.677%0.76960%0.597SS**  trans-49133.4162.900000108.6G15 C19G15-A17 PolarHBondContact O-N 3.29Å; A17-C19 PolarHBondContact O-N 3.43Å
18V41.1Very low55.6Low127 Ų12796.3 Ų96.377%0.7755%0.554SS**  trans-67.398.1175.7178.40000107.2K16 M20K16-V18 PolarHBondContact O-N 2.95Å; V18-M20 HydrophobicContact CG1-CG 4.47Å; V18-M20 PolarHBondContact O-N 2.86Å; V18-M20 VanDerWaalsContact O-N 3.09Å
19C46.1Very low59.1Low74 Ų7489.8 Ų89.850%0.551%0.51SS..  trans-71.5102.5177.3-169.40000108.7A17 T21A17-C19 PolarHBondContact O-N 3.43Å; C19-T21 PolarHBondContact O-N 2.86Å; C19-T21 PolarHBondContact SG-O 3.38Å; C19-T21 PolarHBondContact SG-OG1 2.89Å
20M49.9Very low62.5Low95 Ų9581 Ų8147%0.46847%0.472SS..  trans-77.9-6.9175.3-64.5-169.1-176.100112.7V18 H218V18-M20 HydrophobicContact CG1-CG 4.47Å; V18-M20 PolarHBondContact O-N 2.86Å; V18-M20 VanDerWaalsContact O-N 3.09Å; M20-H218 PolarHBondContact SD-CE1 2.78Å
21T58.2Low65.8Low12 Ų1275.4 Ų75.47%0.07443%0.433CS..  trans-113.1107.3-177.651.30000111.7C19 C23 Q109 V219C19-T21 PolarHBondContact O-N 2.86Å; C19-T21 PolarHBondContact SG-O 3.38Å; C19-T21 PolarHBondContact SG-OG1 2.89Å; T21-C23 VanDerWaalsContact C-N 3.33Å; T21-Q109 HydrophobicContact CG2-CB 4.36Å; T21-Q109 VanDerWaalsContact OG1-CD 3.23Å; T21-Q109 PolarHBondContact OG1-OE1 3.22Å; T21-Q109 VanDerWaalsContact OG1-OE1 3.06Å; T21-V219 HydrophobicContact CG2-CB 4.4Å; T21-V219 HydrophobicContact CG2-CG2 3.45Å; T21-V219 VanDerWaalsContact CG2-CG2 3.45Å
22N72.1Confident68.9Low156 Ų15669.5 Ų69.583%0.83440%0.396SS*.SBendtrans-75.8-21.4174.3-74.5-20.4000113.3
23C88.6Confident71.9Confident48 Ų4861.3 Ų61.332%0.32436%0.359SS..SBendtrans-140.9143.2172.8-51.30000108.2T21 K136T21-C23 VanDerWaalsContact C-N 3.33Å; C23-K136 HydrophobicContact CB-CD 4.4Å; C23-K136 HydrophobicContact CB-CG 4.16Å
24P96.1Very high74.7Confident35 Ų3553.8 Ų53.823%0.22732%0.319CS..  trans-58.8148.3172.9-23.133.7000112.4L103 Q109 F135 K136P24-L103 HydrophobicContact CB-CB 4.1Å; P24-L103 HydrophobicContact CB-CD1 4.03Å; P24-L103 HydrophobicContact CB-CD2 4.07Å; P24-L103 HydrophobicContact CB-CG 4.29Å; P24-Q109 CarbonylContact C-O 3.58Å; P24-Q109 VanDerWaalsContact CA-O 3.25Å; P24-Q109 WeakPolarHBondContact CA-O 3.46Å; P24-F135 HydrophobicContact CB-CD1 4.03Å; P24-F135 HydrophobicContact CB-CE1 4.46Å; P24-F135 HydrophobicContact CG-CD1 4.29Å; P24-F135 HydrophobicContact CG-CE1 4.49Å; P24-F135 WeakPolarHBondContact O-CA 3.18Å; P24-K136 PolarHBondContact O-N 3.28Å
25T97.9Very high77.4Confident0 Ų046.5 Ų46.50%029%0.285CS..EExtended strand (participates in β ladder)trans-112.7126-178.9-61.10000111I27 Q109 V110 A111 K136 F138T25-I27 HydrophobicContact CG2-CG1 4.17Å; T25-Q109 PolarHBondContact N-O 2.86Å; T25-V110 CarbonylContact O-C 3.6Å; T25-V110 VanDerWaalsContact O-CA 3.27Å; T25-V110 WeakPolarHBondContact O-CA 3.44Å; T25-A111 PolarHBondContact O-N 2.69Å; T25-K136 CarbonylContact C-O 3.56Å; T25-K136 WeakPolarHBondContact CA-O 3.37Å; T25-F138 HydrophobicContact CG2-CB 4.24Å
26L98.6Very high79.8Confident0 Ų043.7 Ų43.70%026%0.256CS..EExtended strand (participates in β ladder)trans-94.5107.5168.3-179.457.6000109.3V28 V99 A111 F113 I126 F129 A130 K136 A137 F138L26-V28 HydrophobicContact CD2-CG2 4.32Å; L26-V28 HydrophobicContact CG-CG2 3.94Å; L26-V99 HydrophobicContact CD1-CG1 3.8Å; L26-V99 HydrophobicContact CD1-CG2 4.43Å; L26-A111 CarbonylContact C-O 3.55Å; L26-A111 HydrophobicContact CD1-CB 4.02Å; L26-F113 HydrophobicContact CD1-CB 3.9Å; L26-I126 HydrophobicContact CD2-CG2 3.76Å; L26-F129 HydrophobicContact CD2-CD1 4.08Å; L26-F129 HydrophobicContact CD2-CE1 4.16Å; L26-A130 HydrophobicContact CD2-CB 4.36Å; L26-K136 PolarHBondContact N-O 2.9Å; L26-A137 WeakPolarHBondContact O-CA 3.15Å; L26-F138 PolarHBondContact O-N 3.32Å
27I98.7Very high82.5Confident1 Ų135 Ų351%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-84.1126.8171-57.2-177000108.5T25 L44 L48 V110 A111 V112 F113 F138 V140 I223T25-I27 HydrophobicContact CG2-CG1 4.17Å; I27-L44 HydrophobicContact CD1-CD2 3.58Å; I27-L44 HydrophobicContact CD1-CG 4.44Å; I27-L44 HydrophobicContact CG2-CD2 4.4Å; I27-L48 HydrophobicContact CD1-CD1 4.34Å; I27-V110 HydrophobicContact CD1-CG1 3.59Å; I27-V110 HydrophobicContact CG1-CG1 3.8Å; I27-A111 PolarHBondContact N-O 2.76Å; I27-V112 HydrophobicContact CB-CG1 4.38Å; I27-V112 HydrophobicContact CB-CG2 4.28Å; I27-V112 HydrophobicContact CD1-CG2 4.26Å; I27-V112 HydrophobicContact CG2-CG1 4.27Å; I27-V112 CarbonylContact O-C 3.57Å; I27-F113 PolarHBondContact O-N 2.95Å; I27-F138 CarbonylContact C-O 3.57Å; I27-F138 VanDerWaalsContact CA-O 3.26Å; I27-F138 WeakPolarHBondContact CA-O 3.42Å; I27-V140 HydrophobicContact CG2-CB 4.48Å; I27-V140 HydrophobicContact CG2-CG2 3.68Å; I27-I223 HydrophobicContact CD1-CD1 3.45Å; I27-I223 VanDerWaalsContact CD1-CD1 3.45Å; I27-I223 HydrophobicContact CD1-CG1 4.15Å; I27-I223 HydrophobicContact CG1-CD1 4.22Å
28V98.8Very high84.6Confident0 Ų031.7 Ų31.70%019%0.189CC..EExtended strand (participates in β ladder)trans-116.9113.8-177.1-175.80000109L26 F113 N117 I126 F138 F139 V140L26-V28 HydrophobicContact CD2-CG2 4.32Å; L26-V28 HydrophobicContact CG-CG2 3.94Å; V28-F113 HydrophobicContact CG1-CD1 4.42Å; V28-N117 HydrophobicContact CG1-CB 4.29Å; V28-N117 WeakPolarHBondContact CG1-ND2 3.26Å; V28-I126 HydrophobicContact CG1-CD1 3.96Å; V28-I126 HydrophobicContact CG1-CG2 4.47Å; V28-I126 HydrophobicContact CG2-CG2 3.66Å; V28-F138 PolarHBondContact N-O 3.15Å; V28-F139 HydrophobicContact CB-CD1 3.6Å; V28-F139 HydrophobicContact CB-CE1 3.8Å; V28-F139 HydrophobicContact CB-CG 4.38Å; V28-F139 HydrophobicContact CG1-CD1 3.77Å; V28-F139 HydrophobicContact CG1-CE1 3.76Å; V28-F139 HydrophobicContact CG2-CD1 4.37Å; V28-F139 HydrophobicContact CG2-CE1 4.17Å; V28-F139 WeakPolarHBondContact O-CA 3.48Å; V28-V140 PolarHBondContact O-N 3.18Å
29T98.4Very high87Confident2 Ų227.2 Ų27.21%0.01216%0.158CC..EExtended strand (participates in β ladder)trans-75.4143.8175.666.60000110.8S41 V112 F113 D114 A115 N117 V140T29-S41 VanDerWaalsContact CG2-OG 3.3Å; T29-S41 WeakPolarHBondContact CG2-OG 3.48Å; T29-V112 HydrophobicContact CG2-CG1 4.33Å; T29-F113 PolarHBondContact N-O 3Å; T29-F113 VanDerWaalsContact N-O 3.14Å; T29-F113 PolarHBondContact OG1-O 2.86Å; T29-D114 WeakPolarHBondContact OG1-CA 3.25Å; T29-D114 PolarHBondContact OG1-OD1 2.67Å; T29-A115 PolarHBondContact OG1-N 2.82Å; T29-A115 VanDerWaalsContact OG1-N 3.08Å; T29-A115 PolarHBondContact OG1-O 3.49Å; T29-N117 WeakPolarHBondContact O-CB 3.22Å; T29-N117 PolarHBondContact O-ND2 2.93Å; T29-V140 CarbonylContact C-O 3.55Å; T29-V140 WeakPolarHBondContact CA-O 3.14Å
30V98.5Very high89.2Confident0 Ų024.3 Ų24.30%014%0.138CC..EExtended strand (participates in β ladder)trans-132.9140.1179.4-1780000109.4T116 N117 F139 V140 E141 S142 Y187V30-T116 CarbonylContact C-O 3.53Å; V30-T116 WeakPolarHBondContact CA-O 3.42Å; V30-N117 HydrophobicContact CG2-CB 4.24Å; V30-F139 HydrophobicContact CG2-CB 4.4Å; V30-F139 HydrophobicContact CG2-CD1 3.82Å; V30-V140 PolarHBondContact N-O 3.21Å; V30-E141 HydrophobicContact CB-CB 3.92Å; V30-E141 HydrophobicContact CB-CG 4Å; V30-E141 HydrophobicContact CG1-CB 4.33Å; V30-E141 HydrophobicContact CG1-CG 3.92Å; V30-E141 VanDerWaalsContact O-CA 3.32Å; V30-E141 WeakPolarHBondContact O-CA 3.3Å; V30-S142 PolarHBondContact O-N 3.4Å; V30-Y187 HydrophobicContact CG1-CE2 4.38Å
31G96.8Very high91.4Very high0 Ų019.9 Ų19.90%012%0.116CC..SBendtrans138.3169.8169.300000114.2K37 T116G31-K37 WeakPolarHBondContact O-CE 3.4Å; G31-K37 PolarHBondContact O-NZ 3.11Å; G31-T116 PolarHBondContact N-O 2.56Å; G31-T116 WeakPolarHBondContact O-CA 3.33Å
32L95.3Very high93.1Very high14 Ų1423.4 Ų23.47%0.07313%0.13CC..  trans-63.6159.5-178.5-64.7176000112.8R35 K37 T118 E184 Y187L32-R35 HydrophobicContact CB-CG 4.06Å; L32-R35 WeakPolarHBondContact O-CB 3.43Å; L32-R35 VanDerWaalsContact O-CG 3.25Å; L32-R35 WeakPolarHBondContact O-CG 3.25Å; L32-K37 PolarHBondContact O-NZ 2.85Å; L32-T118 HydrophobicContact CD2-CG2 4.27Å; L32-E184 HydrophobicContact CD1-CG 3.88Å; L32-E184 HydrophobicContact CD2-CG 4.27Å; L32-Y187 HydrophobicContact CD1-CD1 3.96Å; L32-Y187 HydrophobicContact CD1-CE1 4.2Å; L32-Y187 HydrophobicContact CD2-CD1 3.89Å; L32-Y187 HydrophobicContact CD2-CE1 4.48Å; L32-Y187 HydrophobicContact CD2-CG 4.01Å; L32-Y187 HydrophobicContact CG-CD1 3.71Å; L32-Y187 HydrophobicContact CG-CE1 3.87Å; L32-Y187 HydrophobicContact CG-CG 4.29Å
33P92.1Very high94.2Very high8 Ų816.6 Ų16.65%0.0529%0.093CC..THydrogen-bonded Turntrans-54.8153.4171-2232.7000112.7R35 T116 F176 I180 Y183P33-R35 VanDerWaalsContact C-N 3.29Å; P33-R35 PolarHBondContact O-N 3.12Å; P33-R35 PolarHBondContact O-NH1 2.85Å; P33-R35 VanDerWaalsContact O-NH1 3.12Å; P33-T116 HydrophobicContact CG-CG2 4.27Å; P33-F176 HydrophobicContact CB-CE1 3.8Å; P33-F176 HydrophobicContact CB-CZ 3.61Å; P33-I180 HydrophobicContact CB-CG1 3.94Å; P33-I180 HydrophobicContact CG-CG1 4.27Å; P33-Y183 HydrophobicContact CG-CD2 3.7Å; P33-Y183 HydrophobicContact CG-CE2 3.94Å; P33-Y183 HydrophobicContact CG-CG 4.42Å
34A87.8Confident94.6Very high10 Ų1014.3 Ų14.38%0.0838%0.078CC..THydrogen-bonded Turntrans57.131.9-177.100000115.7N153 I154 F176A34-N153 HydrophobicContact CB-CB 4.21Å; A34-N153 PolarHBondContact O-ND2 2.93Å; A34-I154 HydrophobicContact CB-CG1 3.81Å; A34-F176 HydrophobicContact CB-CE1 3.56Å; A34-F176 HydrophobicContact CB-CZ 4.15Å
35R90.6Very high94.6Very high18 Ų1813.5 Ų13.57%0.0687%0.072CC..SBendtrans-10626.3172.9-58-53.7-171.3-93.62.9114.1L32 P33 K37 S142 C144 I150L32-R35 HydrophobicContact CB-CG 4.06Å; L32-R35 WeakPolarHBondContact O-CB 3.43Å; L32-R35 VanDerWaalsContact O-CG 3.25Å; L32-R35 WeakPolarHBondContact O-CG 3.25Å; P33-R35 VanDerWaalsContact C-N 3.29Å; P33-R35 PolarHBondContact O-N 3.12Å; P33-R35 PolarHBondContact O-NH1 2.85Å; P33-R35 VanDerWaalsContact O-NH1 3.12Å; R35-K37 PolarHBondContact O-N 3.41Å; R35-K37 VanDerWaalsContact O-N 3.1Å; R35-S142 WeakPolarHBondContact O-CB 3.09Å; R35-S142 PolarHBondContact O-OG 2.95Å; R35-C144 VanDerWaalsContact CZ-O 3.29Å; R35-C144 PolarHBondContact NE-O 2.8Å; R35-C144 PolarHBondContact NH2-O 3.12Å; R35-C144 VanDerWaalsContact NH2-O 3.13Å; R35-I150 VanDerWaalsContact CZ-CG1 3.41Å; R35-I150 VanDerWaalsContact NH1-CG1 3.3Å
36G88.4Confident94.6Very high24 Ų2414.4 Ų14.425%0.2478%0.075CC..SBendtrans68.79176.300000116.6T38 Y39 I40G36-T38 PolarHBondContact O-N 2.82Å; G36-Y39 WeakPolarHBondContact O-CA 3.29Å; G36-Y39 VanDerWaalsContact O-CB 3.3Å; G36-Y39 WeakPolarHBondContact O-CB 3.31Å; G36-Y39 PolarHBondContact O-N 3.11Å; G36-I40 WeakPolarHBondContact O-CG1 3.44Å; G36-I40 PolarHBondContact O-N 3.1Å
37K92.6Very high94.6Very high17 Ų1714.4 Ų14.47%0.0748%0.075CC..Hα-helixtrans-52.6-53.5179.7-64.1-171.6-58.5-74.40113.3G31 L32 R35 Y39 I40 S41 D114 A115G31-K37 WeakPolarHBondContact O-CE 3.4Å; G31-K37 PolarHBondContact O-NZ 3.11Å; L32-K37 PolarHBondContact O-NZ 2.85Å; R35-K37 PolarHBondContact O-N 3.41Å; R35-K37 VanDerWaalsContact O-N 3.1Å; K37-Y39 PolarHBondContact O-N 3.49Å; K37-I40 WeakPolarHBondContact O-CB 3.39Å; K37-I40 PolarHBondContact O-N 2.89Å; K37-I40 VanDerWaalsContact O-N 3.11Å; K37-S41 PolarHBondContact O-N 3.49Å; K37-S41 PolarHBondContact O-OG 2.77Å; K37-S41 VanDerWaalsContact O-OG 3.05Å; K37-D114 WeakPolarHBondContact CB-OD1 3.48Å; K37-A115 WeakPolarHBondContact CD-O 3.47Å; K37-A115 WeakPolarHBondContact CE-O 3.33Å
38T90.9Very high94.5Very high24 Ų2414.4 Ų14.415%0.1478%0.076CC..Hα-helixtrans-62-32.7178-480000112.5G36 K42 D114 Y413G36-T38 PolarHBondContact O-N 2.82Å; T38-K42 WeakPolarHBondContact O-CG 3.37Å; T38-K42 PolarHBondContact O-N 2.88Å; T38-D114 WeakPolarHBondContact CA-OD2 3.26Å; T38-D114 WeakPolarHBondContact CB-OD2 3.45Å; T38-D114 PolarHBondContact OG1-OD2 2.77Å; T38-Y413 HydrophobicContact CG2-CD1 4.48Å; T38-Y413 HydrophobicContact CG2-CE1 3.77Å
39Y90.2Very high94.5Very high34 Ų3417.6 Ų17.613%0.1339%0.092CC..Hα-helixtrans-64.4-48.6173.6170.6-88.6000110.8G36 K37 K42 K43 H231 I232 A412G36-Y39 WeakPolarHBondContact O-CA 3.29Å; G36-Y39 VanDerWaalsContact O-CB 3.3Å; G36-Y39 WeakPolarHBondContact O-CB 3.31Å; G36-Y39 PolarHBondContact O-N 3.11Å; K37-Y39 PolarHBondContact O-N 3.49Å; Y39-K42 PolarHBondContact O-N 3.42Å; Y39-K43 HydrophobicContact CE1-CD 3.74Å; Y39-K43 HydrophobicContact CE1-CG 4.37Å; Y39-K43 HydrophobicContact CE2-CD 4.28Å; Y39-K43 WeakPolarHBondContact O-CB 3.44Å; Y39-K43 PolarHBondContact O-N 3.1Å; Y39-K43 WeakPolarHBondContact OH-CE 3.44Å; Y39-K43 PolarHBondContact OH-NZ 3.18Å; Y39-H231 PolarHBondContact OH-O 3.12Å; Y39-H231 VanDerWaalsContact OH-O 3.06Å; Y39-I232 HydrophobicContact CD1-CG2 4.23Å; Y39-I232 HydrophobicContact CE1-CG2 3.74Å; Y39-A412 WeakPolarHBondContact CD2-O 3.37Å
40I93.6Very high94.4Very high13 Ų1318.3 Ų18.37%0.06710%0.095CC..Hα-helixtrans-59.5-47.9176.1-68.8163.5000110.2G36 K37 K42 K43 L44 V140 I203 L227G36-I40 WeakPolarHBondContact O-CG1 3.44Å; G36-I40 PolarHBondContact O-N 3.1Å; K37-I40 WeakPolarHBondContact O-CB 3.39Å; K37-I40 PolarHBondContact O-N 2.89Å; K37-I40 VanDerWaalsContact O-N 3.11Å; I40-K42 PolarHBondContact O-N 2.82Å; I40-K43 PolarHBondContact O-N 3.27Å; I40-L44 WeakPolarHBondContact O-CB 3.46Å; I40-L44 PolarHBondContact O-N 3.42Å; I40-V140 HydrophobicContact CG2-CG1 4.03Å; I40-I203 HydrophobicContact CD1-CD1 4Å; I40-L227 HydrophobicContact CG2-CD2 3.51Å
41S95.3Very high94.3Very high1 Ų119.3 Ų19.31%0.00710%0.1CC..Hα-helixtrans-56.2-48.1179.4-61.40000112.2T29 K37 T45T29-S41 VanDerWaalsContact CG2-OG 3.3Å; T29-S41 WeakPolarHBondContact CG2-OG 3.48Å; K37-S41 PolarHBondContact O-N 3.49Å; K37-S41 PolarHBondContact O-OG 2.77Å; K37-S41 VanDerWaalsContact O-OG 3.05Å; S41-T45 VanDerWaalsContact O-CB 3.22Å; S41-T45 WeakPolarHBondContact O-CB 3.44Å; S41-T45 PolarHBondContact O-N 2.88Å; S41-T45 PolarHBondContact O-OG1 2.84Å
42K94.1Very high94.2Very high87 Ų8721.5 Ų21.538%0.37812%0.123SC..Hα-helixtrans-66.4-48.5179.2-74.6-167.5-180-167.40112.5T38 Y39 I40 L44 T45 R46 E57 Y413T38-K42 WeakPolarHBondContact O-CG 3.37Å; T38-K42 PolarHBondContact O-N 2.88Å; Y39-K42 PolarHBondContact O-N 3.42Å; I40-K42 PolarHBondContact O-N 2.82Å; K42-L44 VanDerWaalsContact C-N 3.34Å; K42-L44 PolarHBondContact O-N 3.11Å; K42-T45 PolarHBondContact O-N 2.74Å; K42-R46 VanDerWaalsContact O-CB 3.31Å; K42-R46 WeakPolarHBondContact O-CB 3.4Å; K42-R46 PolarHBondContact O-N 2.62Å; K42-E57 WeakPolarHBondContact CG-OE2 3.35Å; K42-Y413 HydrophobicContact CD-CD1 3.9Å
43K94.9Very high94.2Very high12 Ų1221.3 Ų21.35%0.05212%0.122CC..Hα-helixtrans-60.3-45.5178.8-91.6-156.1166.3-175.90111.6Y39 I40 R46 Y47 Y226 I230 E366Y39-K43 HydrophobicContact CE1-CD 3.74Å; Y39-K43 HydrophobicContact CE1-CG 4.37Å; Y39-K43 HydrophobicContact CE2-CD 4.28Å; Y39-K43 WeakPolarHBondContact O-CB 3.44Å; Y39-K43 PolarHBondContact O-N 3.1Å; Y39-K43 WeakPolarHBondContact OH-CE 3.44Å; Y39-K43 PolarHBondContact OH-NZ 3.18Å; I40-K43 PolarHBondContact O-N 3.27Å; K43-R46 PolarHBondContact O-N 2.87Å; K43-Y47 WeakPolarHBondContact O-CB 3.41Å; K43-Y47 PolarHBondContact O-N 3.47Å; K43-Y226 HydrophobicContact CB-CE1 4.27Å; K43-Y226 PolarHBondContact O-OH 2.94Å; K43-I230 HydrophobicContact CD-CG2 4.39Å; K43-E366 IonicContact NZ-OE1 3.24Å; K43-E366 IonicContact NZ-OE2 2.78Å; K43-E366 PolarHBondContact NZ-OE2 2.9Å
44L96.4Very high94.5Very high1 Ų123.1 Ų23.11%0.00513%0.134CC..Hα-helixtrans-64.9-44.7179.1-175.262.3000111.7I27 I40 K42 R46 Y47 L48 I223 Y226I27-L44 HydrophobicContact CD1-CD2 3.58Å; I27-L44 HydrophobicContact CD1-CG 4.44Å; I27-L44 HydrophobicContact CG2-CD2 4.4Å; I40-L44 WeakPolarHBondContact O-CB 3.46Å; I40-L44 PolarHBondContact O-N 3.42Å; K42-L44 VanDerWaalsContact C-N 3.34Å; K42-L44 PolarHBondContact O-N 3.11Å; L44-R46 VanDerWaalsContact C-N 3.33Å; L44-R46 PolarHBondContact O-N 2.97Å; L44-Y47 HydrophobicContact CD1-CD1 4.42Å; L44-Y47 PolarHBondContact O-N 3.29Å; L44-L48 HydrophobicContact CD1-CD1 4.22Å; L44-L48 HydrophobicContact CD1-CG 4.26Å; L44-L48 HydrophobicContact CG-CD1 4.02Å; L44-L48 HydrophobicContact CG-CG 4.45Å; L44-L48 WeakPolarHBondContact O-CB 3.36Å; L44-L48 VanDerWaalsContact O-CG 3.29Å; L44-L48 WeakPolarHBondContact O-CG 3.4Å; L44-L48 PolarHBondContact O-N 3.03Å; L44-I223 HydrophobicContact CD1-CB 4.38Å; L44-I223 HydrophobicContact CD1-CG1 4.13Å; L44-I223 HydrophobicContact CD1-CG2 4.02Å; L44-I223 HydrophobicContact CD2-CG2 3.86Å; L44-Y226 HydrophobicContact CB-CE1 4.45Å; L44-Y226 HydrophobicContact CD1-CD1 3.66Å; L44-Y226 HydrophobicContact CD1-CE1 4.26Å; L44-Y226 HydrophobicContact CD1-CG 4.47Å
45T97.6Very high95Very high17 Ų1723 Ų2310%0.10413%0.132CC..Hα-helixtrans-58.9-45.2175.7-62.20000111.3S41 K42 L48 N49 T55 V112S41-T45 VanDerWaalsContact O-CB 3.22Å; S41-T45 WeakPolarHBondContact O-CB 3.44Å; S41-T45 PolarHBondContact O-N 2.88Å; S41-T45 PolarHBondContact O-OG1 2.84Å; K42-T45 PolarHBondContact O-N 2.74Å; T45-L48 PolarHBondContact O-N 3.38Å; T45-N49 WeakPolarHBondContact CG2-ND2 3.1Å; T45-N49 WeakPolarHBondContact O-CB 3.49Å; T45-N49 PolarHBondContact O-N 3.13Å; T45-N49 PolarHBondContact O-ND2 3.18Å; T45-T55 HydrophobicContact CG2-CG2 3.97Å; T45-V112 WeakPolarHBondContact OG1-CG2 3.43Å
46R97Very high95.3Very high19 Ų1927 Ų277%0.07215%0.147CC..Hα-helixtrans-62.5-47.3177.3-178.6176.877.1174.4-0.6112.2K42 K43 L44 N49 W50 E366 Y386 F387 D389K42-R46 VanDerWaalsContact O-CB 3.31Å; K42-R46 WeakPolarHBondContact O-CB 3.4Å; K42-R46 PolarHBondContact O-N 2.62Å; K43-R46 PolarHBondContact O-N 2.87Å; L44-R46 VanDerWaalsContact C-N 3.33Å; L44-R46 PolarHBondContact O-N 2.97Å; R46-N49 PolarHBondContact O-N 2.87Å; R46-W50 VanDerWaalsContact O-CB 3.3Å; R46-W50 WeakPolarHBondContact O-CB 3.45Å; R46-W50 PolarHBondContact O-N 2.94Å; R46-E366 IonicContact NH2-OE1 2.79Å; R46-E366 PolarHBondContact NH2-OE1 3.43Å; R46-Y386 WeakPolarHBondContact CD-O 3.37Å; R46-Y386 PolarHBondContact NE-O 2.94Å; R46-F387 PolarHBondContact NH1-O 3.41Å; R46-D389 HydrophobicContact CG-CB 4.23Å; R46-D389 WeakPolarHBondContact CG-OD1 3.33Å
47Y97.6Very high95.8Very high0 Ų027.7 Ų27.70%014%0.144CC..Hα-helixtrans-59.2-50.1176.7165.7-110.8000111.7K43 L44 N49 W50 I51 R222 Y226 E359 M363 Y386K43-Y47 WeakPolarHBondContact O-CB 3.41Å; K43-Y47 PolarHBondContact O-N 3.47Å; L44-Y47 HydrophobicContact CD1-CD1 4.42Å; L44-Y47 PolarHBondContact O-N 3.29Å; Y47-N49 PolarHBondContact O-N 3.38Å; Y47-W50 PolarHBondContact O-N 2.95Å; Y47-W50 VanDerWaalsContact O-N 3.17Å; Y47-I51 HydrophobicContact CD2-CG2 3.96Å; Y47-I51 HydrophobicContact CE1-CD1 4.29Å; Y47-I51 HydrophobicContact CE2-CG2 3.59Å; Y47-I51 WeakPolarHBondContact O-CG1 3.19Å; Y47-I51 WeakPolarHBondContact O-CG2 3.47Å; Y47-I51 PolarHBondContact O-N 3.48Å; Y47-R222 PolarHBondContact OH-NE 2.98Å; Y47-R222 PolarHBondContact OH-NH2 3.34Å; Y47-Y226 HydrophobicContact CD1-CD1 4.02Å; Y47-Y226 AromaticContact CD1-CD2 3.64Å; Y47-Y226 HydrophobicContact CD1-CD2 3.64Å; Y47-Y226 HydrophobicContact CD1-CE1 4.46Å; Y47-Y226 HydrophobicContact CD1-CE2 4.12Å; Y47-Y226 AromaticContact CD1-CG 3.56Å; Y47-Y226 HydrophobicContact CD1-CG 3.56Å; Y47-Y226 AromaticContact CD2-CD2 3.75Å; Y47-Y226 HydrophobicContact CD2-CD2 3.75Å; Y47-Y226 AromaticContact CD2-CE2 3.81Å; Y47-Y226 HydrophobicContact CD2-CE2 3.81Å; Y47-Y226 AromaticContact CE1-CD2 3.94Å; Y47-Y226 HydrophobicContact CE1-CD2 3.94Å; Y47-Y226 AromaticContact CE1-CG 3.85Å; Y47-Y226 HydrophobicContact CE1-CG 3.85Å; Y47-Y226 HydrophobicContact CE2-CD2 4.05Å; Y47-Y226 HydrophobicContact CG-CD1 4.35Å; Y47-Y226 AromaticContact CG-CD2 3.51Å; Y47-Y226 HydrophobicContact CG-CD2 3.51Å; Y47-Y226 HydrophobicContact CG-CE1 4.39Å; Y47-Y226 AromaticContact CG-CE2 3.56Å; Y47-Y226 HydrophobicContact CG-CE2 3.56Å; Y47-Y226 AromaticContact CG-CG 3.9Å; Y47-Y226 HydrophobicContact CG-CG 3.9Å; Y47-E359 HydrophobicContact CE2-CG 4.35Å; Y47-E359 PolarHBondContact OH-OE1 3.27Å; Y47-M363 HydrophobicContact CD2-CE 3.67Å; Y47-M363 HydrophobicContact CE2-CE 3.31Å; Y47-M363 HydrophobicContact CE2-SD 4.02Å; Y47-Y386 HydrophobicContact CD2-CE2 4.36Å
48L97.8Very high96Very high2 Ų227.2 Ų27.21%0.0114%0.142CC..Hα-helixtrans-62-42.1-179.6-69.4174.7000111.9I27 L44 T45 I51 G52 V53 T55 V110 I223I27-L48 HydrophobicContact CD1-CD1 4.34Å; L44-L48 HydrophobicContact CD1-CD1 4.22Å; L44-L48 HydrophobicContact CD1-CG 4.26Å; L44-L48 HydrophobicContact CG-CD1 4.02Å; L44-L48 HydrophobicContact CG-CG 4.45Å; L44-L48 WeakPolarHBondContact O-CB 3.36Å; L44-L48 VanDerWaalsContact O-CG 3.29Å; L44-L48 WeakPolarHBondContact O-CG 3.4Å; L44-L48 PolarHBondContact O-N 3.03Å; T45-L48 PolarHBondContact O-N 3.38Å; L48-I51 HydrophobicContact CD2-CD1 3.81Å; L48-I51 WeakPolarHBondContact O-CG1 3.41Å; L48-I51 PolarHBondContact O-N 3.03Å; L48-G52 PolarHBondContact O-N 3.17Å; L48-V53 CarbonylContact C-O 3.54Å; L48-V53 VanDerWaalsContact C-O 3.24Å; L48-V53 HydrophobicContact CB-CB 4.28Å; L48-V53 CarbonylContact O-C 3.2Å; L48-V53 WeakPolarHBondContact O-CA 3.4Å; L48-V53 WeakPolarHBondContact O-CB 3.48Å; L48-V53 PolarHBondContact O-N 3.49Å; L48-V53 VanDerWaalsContact O-O 3.05Å; L48-T55 HydrophobicContact CB-CG2 4.31Å; L48-T55 WeakPolarHBondContact CB-OG1 3.43Å; L48-T55 HydrophobicContact CD1-CG2 3.98Å; L48-V110 HydrophobicContact CD1-CB 4.35Å; L48-V110 HydrophobicContact CD1-CG1 3.97Å; L48-V110 HydrophobicContact CD1-CG2 4.42Å; L48-I223 HydrophobicContact CD1-CG1 4.39Å; L48-I223 HydrophobicContact CD2-CG1 4.37Å
49N97.6Very high96.3Very high66 Ų6627.1 Ų27.135%0.35314%0.141SC..Hα-helixtrans-64.5-41.5174-78.6-58.4000112.3T45 R46 Y47 I51 G52 V53 T55T45-N49 WeakPolarHBondContact CG2-ND2 3.1Å; T45-N49 WeakPolarHBondContact O-CB 3.49Å; T45-N49 PolarHBondContact O-N 3.13Å; T45-N49 PolarHBondContact O-ND2 3.18Å; R46-N49 PolarHBondContact O-N 2.87Å; Y47-N49 PolarHBondContact O-N 3.38Å; N49-I51 VanDerWaalsContact C-N 3.3Å; N49-I51 PolarHBondContact O-N 3.26Å; N49-G52 PolarHBondContact O-N 3.32Å; N49-V53 PolarHBondContact N-O 3.08Å; N49-T55 PolarHBondContact ND2-O 3.27Å; N49-T55 PolarHBondContact OD1-N 3.02Å; N49-T55 PolarHBondContact OD1-O 2.93Å
50W97.8Very high96.6Very high17 Ų1726.3 Ų26.36%0.06414%0.139CC..Hα-helixtrans-61.9-37.6-179.4-175.383000112.1R46 Y47 G52 V355 L358 E359 I362 C382 Y386R46-W50 VanDerWaalsContact O-CB 3.3Å; R46-W50 WeakPolarHBondContact O-CB 3.45Å; R46-W50 PolarHBondContact O-N 2.94Å; Y47-W50 PolarHBondContact O-N 2.95Å; Y47-W50 VanDerWaalsContact O-N 3.17Å; W50-G52 PolarHBondContact O-N 2.83Å; W50-V355 HydrophobicContact CD2-CG1 4.03Å; W50-V355 HydrophobicContact CE3-CG1 4.06Å; W50-V355 HydrophobicContact CH2-CB 4.46Å; W50-V355 HydrophobicContact CH2-CG1 4.03Å; W50-V355 WeakPolarHBondContact CH2-O 3.45Å; W50-V355 HydrophobicContact CZ2-CB 4.26Å; W50-V355 HydrophobicContact CZ2-CG1 4.03Å; W50-V355 HydrophobicContact CZ2-CG2 4.08Å; W50-V355 HydrophobicContact CZ3-CG1 4.05Å; W50-V355 WeakPolarHBondContact O-CG1 3.22Å; W50-L358 HydrophobicContact CH2-CB 3.94Å; W50-L358 HydrophobicContact CZ2-CB 4.37Å; W50-E359 HydrophobicContact CZ3-CB 4.21Å; W50-I362 HydrophobicContact CE3-CG1 4.3Å; W50-I362 HydrophobicContact CH2-CB 4.5Å; W50-I362 HydrophobicContact CH2-CD1 4.42Å; W50-I362 HydrophobicContact CH2-CG1 3.46Å; W50-I362 VanDerWaalsContact CH2-CG1 3.46Å; W50-I362 HydrophobicContact CZ2-CD1 4.35Å; W50-I362 HydrophobicContact CZ2-CG1 3.86Å; W50-I362 HydrophobicContact CZ3-CB 4.35Å; W50-I362 HydrophobicContact CZ3-CG1 3.71Å; W50-C382 HydrophobicContact CZ2-CB 4.37Å; W50-C382 PolarHBondContact NE1-O 2.83Å; W50-C382 VanDerWaalsContact NE1-O 3.07Å; W50-Y386 HydrophobicContact CB-CD2 4.02Å; W50-Y386 AromaticContact CD2-CD2 3.99Å; W50-Y386 HydrophobicContact CD2-CD2 3.99Å; W50-Y386 HydrophobicContact CE3-CD2 4.34Å; W50-Y386 AromaticContact CG-CD2 3.83Å; W50-Y386 HydrophobicContact CG-CD2 3.83Å; W50-Y386 HydrophobicContact CG-CG 4.45Å
51I95.8Very high96.5Very high22 Ų2226.5 Ų26.511%0.11315%0.145CC..THydrogen-bonded Turntrans-79.62.2176.565.4166.4000113.2Y47 L48 N49 V53Y47-I51 HydrophobicContact CD2-CG2 3.96Å; Y47-I51 HydrophobicContact CE1-CD1 4.29Å; Y47-I51 HydrophobicContact CE2-CG2 3.59Å; Y47-I51 WeakPolarHBondContact O-CG1 3.19Å; Y47-I51 WeakPolarHBondContact O-CG2 3.47Å; Y47-I51 PolarHBondContact O-N 3.48Å; L48-I51 HydrophobicContact CD2-CD1 3.81Å; L48-I51 WeakPolarHBondContact O-CG1 3.41Å; L48-I51 PolarHBondContact O-N 3.03Å; N49-I51 VanDerWaalsContact C-N 3.3Å; N49-I51 PolarHBondContact O-N 3.26Å; I51-V53 HydrophobicContact CD1-CB 4.36Å; I51-V53 HydrophobicContact CD1-CG2 3.76Å; I51-V53 HydrophobicContact CG1-CB 4.41Å; I51-V53 HydrophobicContact CG1-CG2 4.05Å
52G95Very high96.4Very high46 Ų4631 Ų3147%0.47417%0.166SC..THydrogen-bonded Turntrans87.620.3178.800000115.9L48 N49 W50 P54L48-G52 PolarHBondContact O-N 3.17Å; N49-G52 PolarHBondContact O-N 3.32Å; W50-G52 PolarHBondContact O-N 2.83Å; G52-P54 WeakPolarHBondContact O-CD 3.21Å
53V96Very high96.5Very high10 Ų1029 Ų296%0.06116%0.156CC..  trans-101.4104.2172.7179.40000109.4L48 N49 I51 T55 Q109 V110L48-V53 CarbonylContact C-O 3.54Å; L48-V53 VanDerWaalsContact C-O 3.24Å; L48-V53 HydrophobicContact CB-CB 4.28Å; L48-V53 CarbonylContact O-C 3.2Å; L48-V53 WeakPolarHBondContact O-CA 3.4Å; L48-V53 WeakPolarHBondContact O-CB 3.48Å; L48-V53 PolarHBondContact O-N 3.49Å; L48-V53 VanDerWaalsContact O-O 3.05Å; N49-V53 PolarHBondContact N-O 3.08Å; I51-V53 HydrophobicContact CD1-CB 4.36Å; I51-V53 HydrophobicContact CD1-CG2 3.76Å; I51-V53 HydrophobicContact CG1-CB 4.41Å; I51-V53 HydrophobicContact CG1-CG2 4.05Å; V53-T55 PolarHBondContact O-N 3.48Å; V53-T55 PolarHBondContact O-OG1 3.06Å; V53-Q109 HydrophobicContact CG1-CB 4.08Å; V53-V110 HydrophobicContact CG1-CG2 3.71Å
54P97.1Very high96.5Very high46 Ų4629 Ų2930%0.29916%0.156SC..  trans-55.7112.6-178.8-25.635000111.5G52 Y102 Q109 V110G52-P54 WeakPolarHBondContact O-CD 3.21Å; P54-Y102 PolarHBondContact O-OH 2.93Å; P54-Q109 HydrophobicContact CG-CG 4.47Å; P54-Q109 PolarHBondContact O-N 3.45Å; P54-V110 PolarHBondContact O-N 3.35Å; P54-V110 VanDerWaalsContact O-N 3.08Å
55T98.3Very high96.2Very high7 Ų732.4 Ų32.44%0.04317%0.168CC..EExtended strand (participates in β ladder)trans-132.1138.8-173.8-53.90000111.7T45 L48 N49 V53 Y102 V110 V112T45-T55 HydrophobicContact CG2-CG2 3.97Å; L48-T55 HydrophobicContact CB-CG2 4.31Å; L48-T55 WeakPolarHBondContact CB-OG1 3.43Å; L48-T55 HydrophobicContact CD1-CG2 3.98Å; N49-T55 PolarHBondContact ND2-O 3.27Å; N49-T55 PolarHBondContact OD1-N 3.02Å; N49-T55 PolarHBondContact OD1-O 2.93Å; V53-T55 PolarHBondContact O-N 3.48Å; V53-T55 PolarHBondContact O-OG1 3.06Å; T55-Y102 VanDerWaalsContact C-OH 3.32Å; T55-Y102 WeakPolarHBondContact CA-OH 3.47Å; T55-Y102 PolarHBondContact N-OH 2.75Å; T55-Y102 VanDerWaalsContact N-OH 3.12Å; T55-V110 VanDerWaalsContact CA-O 3.23Å; T55-V110 WeakPolarHBondContact CA-O 3.4Å; T55-V110 HydrophobicContact CG2-CB 3.88Å; T55-V110 HydrophobicContact CG2-CG1 3.92Å; T55-V110 WeakPolarHBondContact CG2-O 3.46Å; T55-V112 HydrophobicContact CG2-CG2 3.96Å
56R98.3Very high95.9Very high101 Ų10137.1 Ų37.138%0.38119%0.189SC..EExtended strand (participates in β ladder)trans-133138.3174.5-171.5179.7-70164.14.5111.3F58 Y102 E106 V110 A111 V112R56-F58 HydrophobicContact CB-CE2 3.89Å; R56-F58 HydrophobicContact CB-CZ 4.13Å; R56-F58 HydrophobicContact CG-CE2 4.03Å; R56-F58 HydrophobicContact CG-CZ 3.98Å; R56-F58 WeakPolarHBondContact O-CD2 3.46Å; R56-F58 WeakPolarHBondContact O-CE2 3.25Å; R56-Y102 HydrophobicContact CB-CD1 3.94Å; R56-Y102 HydrophobicContact CB-CD2 4.34Å; R56-Y102 HydrophobicContact CB-CE1 3.56Å; R56-Y102 HydrophobicContact CB-CE2 4Å; R56-Y102 HydrophobicContact CB-CG 4.31Å; R56-Y102 VanDerWaalsContact CZ-CD2 3.44Å; R56-E106 IonicContact CZ-OE2 3.84Å; R56-E106 IonicContact NH1-OE1 2.99Å; R56-E106 PolarHBondContact NH1-OE1 3.46Å; R56-E106 IonicContact NH1-OE2 3.97Å; R56-E106 PolarHBondContact NH1-OE2 2.94Å; R56-E106 IonicContact NH2-OE2 2.76Å; R56-E106 PolarHBondContact NH2-OE2 3.39Å; R56-V110 PolarHBondContact N-O 3.1Å; R56-V110 VanDerWaalsContact N-O 3.15Å; R56-A111 WeakPolarHBondContact O-CA 3.23Å; R56-V112 PolarHBondContact O-N 3.35Å
57E97.5Very high95.5Very high40 Ų4042 Ų4219%0.18721%0.211CC..EExtended strand (participates in β ladder)trans-88.5139.2171.3-179.4-171157.900110.9K42 N59 V112 D114K42-E57 WeakPolarHBondContact CG-OE2 3.35Å; E57-N59 PolarHBondContact OE1-ND2 3.28Å; E57-N59 VanDerWaalsContact OE1-ND2 3.13Å; E57-V112 CarbonylContact C-O 3.53Å; E57-V112 WeakPolarHBondContact CA-O 3.41Å; E57-V112 HydrophobicContact CB-CB 4.47Å; E57-D114 HydrophobicContact CG-CB 4.22Å
58F98.1Very high95Very high7 Ų744.6 Ų44.63%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-120.796.2175-60.9-94.6000109.1R56 V60 D98 V99 Y102 A111 V112 D114R56-F58 HydrophobicContact CB-CE2 3.89Å; R56-F58 HydrophobicContact CB-CZ 4.13Å; R56-F58 HydrophobicContact CG-CE2 4.03Å; R56-F58 HydrophobicContact CG-CZ 3.98Å; R56-F58 WeakPolarHBondContact O-CD2 3.46Å; R56-F58 WeakPolarHBondContact O-CE2 3.25Å; F58-V60 PolarHBondContact O-N 3.36Å; F58-D98 HydrophobicContact CD1-CB 3.97Å; F58-D98 HydrophobicContact CE1-CB 3.7Å; F58-V99 HydrophobicContact CB-CG2 4.05Å; F58-V99 HydrophobicContact CD1-CG2 3.93Å; F58-V99 HydrophobicContact CD2-CG2 3.46Å; F58-V99 VanDerWaalsContact CD2-CG2 3.46Å; F58-V99 HydrophobicContact CE1-CG2 4.25Å; F58-V99 HydrophobicContact CE2-CG2 3.81Å; F58-V99 HydrophobicContact CG-CG2 3.52Å; F58-V99 HydrophobicContact CZ-CG2 4.19Å; F58-Y102 HydrophobicContact CE2-CD1 4.02Å; F58-Y102 HydrophobicContact CE2-CG 4.46Å; F58-Y102 AromaticContact CZ-CD1 3.95Å; F58-Y102 HydrophobicContact CZ-CD1 3.95Å; F58-Y102 AromaticContact CZ-CG 3.92Å; F58-Y102 HydrophobicContact CZ-CG 3.92Å; F58-A111 HydrophobicContact CD2-CB 4.05Å; F58-A111 HydrophobicContact CE2-CB 3.68Å; F58-V112 PolarHBondContact N-O 3.26Å; F58-D114 PolarHBondContact O-N 2.73Å
59N96.4Very high94.2Very high22 Ų2253.2 Ų53.212%0.11826%0.262CS..EExtended strand (participates in β ladder)trans-87.5101.8-175-166-71.7000111.4E57 G61 Q62 Y63 D114E57-N59 PolarHBondContact OE1-ND2 3.28Å; E57-N59 VanDerWaalsContact OE1-ND2 3.13Å; N59-G61 PolarHBondContact O-N 2.97Å; N59-G61 WeakPolarHBondContact OD1-CA 3.49Å; N59-G61 PolarHBondContact OD1-N 3.42Å; N59-G61 VanDerWaalsContact OD1-N 3.13Å; N59-Q62 HydrophobicContact CB-CB 4.17Å; N59-Q62 WeakPolarHBondContact O-CA 3.34Å; N59-Q62 VanDerWaalsContact O-CB 3.3Å; N59-Q62 WeakPolarHBondContact O-CB 3.47Å; N59-Q62 PolarHBondContact O-N 3Å; N59-Q62 PolarHBondContact OD1-N 3.42Å; N59-Y63 WeakPolarHBondContact O-CD2 3.38Å; N59-Y63 PolarHBondContact O-N 3.44Å; N59-D114 PolarHBondContact ND2-OD2 2.78Å
60V96.3Very high93.4Very high16 Ų1656.4 Ų56.410%0.09728%0.278CS..Hα-helixtrans-60-26.6-177.2-178.90000112.3F58 Q62 Y63 R64 C91 A92 A95 F113 D114 A115F58-V60 PolarHBondContact O-N 3.36Å; V60-Q62 VanDerWaalsContact C-N 3.28Å; V60-Q62 PolarHBondContact O-N 2.9Å; V60-Y63 PolarHBondContact O-N 3.42Å; V60-R64 PolarHBondContact O-N 2.97Å; V60-C91 HydrophobicContact CG1-CB 4.22Å; V60-A92 HydrophobicContact CG1-CB 4.35Å; V60-A95 HydrophobicContact CG2-CB 4.06Å; V60-F113 HydrophobicContact CG2-CD2 4.35Å; V60-F113 HydrophobicContact CG2-CE1 4.02Å; V60-F113 HydrophobicContact CG2-CE2 3.64Å; V60-F113 HydrophobicContact CG2-CZ 3.45Å; V60-F113 VanDerWaalsContact CG2-CZ 3.45Å; V60-D114 PolarHBondContact N-O 2.88Å; V60-A115 HydrophobicContact CB-CB 3.93Å; V60-A115 HydrophobicContact CG2-CB 3.75Å
61G92.4Very high92.8Very high18 Ų1857.2 Ų57.219%0.18628%0.281CS..Hα-helixtrans-62.4-33.8172.100000113.2N59 R65N59-G61 PolarHBondContact O-N 2.97Å; N59-G61 WeakPolarHBondContact OD1-CA 3.49Å; N59-G61 PolarHBondContact OD1-N 3.42Å; N59-G61 VanDerWaalsContact OD1-N 3.13Å; G61-R65 WeakPolarHBondContact O-CG 3.1Å; G61-R65 VanDerWaalsContact O-CZ 3.31Å; G61-R65 PolarHBondContact O-N 3.36Å; G61-R65 VanDerWaalsContact O-N 3.07Å; G61-R65 PolarHBondContact O-NH1 3.45Å
62Q92.6Very high92.2Very high96 Ų9664.3 Ų64.345%0.44931%0.314SS..Hα-helixtrans-70.2-48.8175.1-177.5174-14.500111.6N59 V60 R64 R65 E66N59-Q62 HydrophobicContact CB-CB 4.17Å; N59-Q62 WeakPolarHBondContact O-CA 3.34Å; N59-Q62 VanDerWaalsContact O-CB 3.3Å; N59-Q62 WeakPolarHBondContact O-CB 3.47Å; N59-Q62 PolarHBondContact O-N 3Å; N59-Q62 PolarHBondContact OD1-N 3.42Å; V60-Q62 VanDerWaalsContact C-N 3.28Å; V60-Q62 PolarHBondContact O-N 2.9Å; Q62-R64 PolarHBondContact O-N 3.42Å; Q62-R65 VanDerWaalsContact CA-NH2 3.33Å; Q62-R65 WeakPolarHBondContact O-CB 3.42Å; Q62-R65 PolarHBondContact O-N 3.37Å; Q62-E66 VanDerWaalsContact CG-OE1 3.32Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.49Å; Q62-E66 PolarHBondContact NE2-OE1 3.25Å; Q62-E66 PolarHBondContact O-N 2.93Å
63Y95.5Very high92Very high45 Ų4563.7 Ų63.718%0.17630%0.302CS..Hα-helixtrans-53-43.4174.1-72.8-95000111.8N59 V60 E66 F67 A94 A95 D98N59-Y63 WeakPolarHBondContact O-CD2 3.38Å; N59-Y63 PolarHBondContact O-N 3.44Å; V60-Y63 PolarHBondContact O-N 3.42Å; Y63-E66 PolarHBondContact O-N 3.23Å; Y63-F67 WeakPolarHBondContact O-CB 3.4Å; Y63-F67 PolarHBondContact O-N 3.34Å; Y63-A94 HydrophobicContact CD1-CB 4.1Å; Y63-A94 HydrophobicContact CE1-CB 4.48Å; Y63-A95 HydrophobicContact CD1-CB 4.33Å; Y63-A95 HydrophobicContact CD2-CB 3.75Å; Y63-A95 HydrophobicContact CE1-CB 4.22Å; Y63-A95 HydrophobicContact CE2-CB 3.63Å; Y63-A95 HydrophobicContact CG-CB 4.12Å; Y63-D98 WeakPolarHBondContact CE1-OD2 3.09Å; Y63-D98 VanDerWaalsContact CZ-OD2 3.27Å; Y63-D98 WeakPolarHBondContact OH-CB 3.45Å; Y63-D98 PolarHBondContact OH-OD2 3.23Å
64R94.4Very high91.7Very high12 Ų1264.8 Ų64.85%0.04531%0.306CS..Hα-helixtrans-63.6-43175.5-176.8-144.261.6-160.62.3112.5V60 Q62 E66 F67 L68 F76 C91 D163V60-R64 PolarHBondContact O-N 2.97Å; Q62-R64 PolarHBondContact O-N 3.42Å; R64-E66 VanDerWaalsContact C-N 3.34Å; R64-F67 PolarHBondContact O-N 3.24Å; R64-L68 HydrophobicContact CG-CD1 3.85Å; R64-L68 HydrophobicContact CG-CG 4.4Å; R64-L68 WeakPolarHBondContact O-CB 3.37Å; R64-L68 PolarHBondContact O-N 2.94Å; R64-F76 HydrophobicContact CG-CE1 4.14Å; R64-F76 HydrophobicContact CG-CZ 4.3Å; R64-C91 VanDerWaalsContact CA-SG 3.54Å; R64-C91 HydrophobicContact CB-CB 4.43Å; R64-D163 IonicContact CZ-OD1 2.74Å; R64-D163 IonicContact CZ-OD2 3.78Å; R64-D163 IonicContact NH1-OD2 3.58Å; R64-D163 IonicContact NH2-OD1 2.75Å; R64-D163 PolarHBondContact NH2-OD1 2.98Å; R64-D163 IonicContact NH2-OD2 3.55Å; R64-D163 PolarHBondContact NH2-OD2 2.91Å
65R91.2Very high91.5Very high71 Ų7166.6 Ų66.627%0.26831%0.31SS..Hα-helixtrans-63.1-41.3177.5-78.9-175.4-68.5-83.7-1.1111.7G61 Q62 F67 K69 D163G61-R65 WeakPolarHBondContact O-CG 3.1Å; G61-R65 VanDerWaalsContact O-CZ 3.31Å; G61-R65 PolarHBondContact O-N 3.36Å; G61-R65 VanDerWaalsContact O-N 3.07Å; G61-R65 PolarHBondContact O-NH1 3.45Å; Q62-R65 VanDerWaalsContact CA-NH2 3.33Å; Q62-R65 WeakPolarHBondContact O-CB 3.42Å; Q62-R65 PolarHBondContact O-N 3.37Å; R65-F67 VanDerWaalsContact C-N 3.32Å; R65-K69 VanDerWaalsContact O-CA 3.23Å; R65-K69 WeakPolarHBondContact O-CA 3.44Å; R65-K69 PolarHBondContact O-N 3.38Å; R65-D163 VanDerWaalsContact CD-OD1 3.31Å; R65-D163 WeakPolarHBondContact CD-OD1 3.33Å; R65-D163 WeakPolarHBondContact CG-OD1 3.45Å; R65-D163 IonicContact NH1-OD1 3.63Å
66E90.9Very high91.3Very high117 Ų11767.6 Ų67.655%0.54731%0.314SS..Hα-helixtrans-66.3-36.7177.6-70.7171.9-168.200111.8Q62 Y63 R64Q62-E66 VanDerWaalsContact CG-OE1 3.32Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.49Å; Q62-E66 PolarHBondContact NE2-OE1 3.25Å; Q62-E66 PolarHBondContact O-N 2.93Å; Y63-E66 PolarHBondContact O-N 3.23Å; R64-E66 VanDerWaalsContact C-N 3.34Å
67F89.1Confident91Very high121 Ų12163 Ų6353%0.53130%0.297SS..Hα-helixtrans-70.8-51176.9-171.3-91000113.2Y63 R64 R65 I87Y63-F67 WeakPolarHBondContact O-CB 3.4Å; Y63-F67 PolarHBondContact O-N 3.34Å; R64-F67 PolarHBondContact O-N 3.24Å; R65-F67 VanDerWaalsContact C-N 3.32Å; F67-I87 HydrophobicContact CD1-CG2 3.68Å; F67-I87 HydrophobicContact CE1-CD1 4.33Å; F67-I87 HydrophobicContact CE1-CG1 4.09Å; F67-I87 HydrophobicContact CE1-CG2 3.77Å
68L86.1Confident90.7Very high55 Ų5565.8 Ų65.829%0.28831%0.306SS..Hα-helixtrans-80.8-26.3-175.8-70.1178.1000113.7R64 I70 F76 I87R64-L68 HydrophobicContact CG-CD1 3.85Å; R64-L68 HydrophobicContact CG-CG 4.4Å; R64-L68 WeakPolarHBondContact O-CB 3.37Å; R64-L68 PolarHBondContact O-N 2.94Å; L68-I70 PolarHBondContact O-N 2.95Å; L68-F76 HydrophobicContact CD1-CD1 4.48Å; L68-F76 HydrophobicContact CD1-CD2 4.12Å; L68-F76 HydrophobicContact CD1-CE1 4.11Å; L68-F76 HydrophobicContact CD1-CE2 3.71Å; L68-F76 HydrophobicContact CD1-CG 4.49Å; L68-F76 HydrophobicContact CD1-CZ 3.72Å; L68-F76 HydrophobicContact CD2-CE2 4.34Å; L68-I87 HydrophobicContact CD2-CD1 4.19Å; L68-I87 HydrophobicContact CD2-CG2 4.25Å
69K81.4Confident90.1Very high183 Ų18369.1 Ų69.180%0.79633%0.328SS*.SBendtrans62.1-40.9-172-56.8-176178.2-178.90115.6R65R65-K69 VanDerWaalsContact O-CA 3.23Å; R65-K69 WeakPolarHBondContact O-CA 3.44Å; R65-K69 PolarHBondContact O-N 3.38Å
70I81.4Confident89.8Confident133 Ų13372.9 Ų72.968%0.68235%0.348SS*.SBendtrans-124.5132.2-178.9-58.5176.2000108.6L68L68-I70 PolarHBondContact O-N 2.95Å
71Y85.2Confident89.7Confident33 Ų3374.4 Ų74.413%0.12936%0.356CS..  trans-94.2126.9169.2175.9-106.7000108.8S73 F74 F77 D163 Y164 D175Y71-S73 VanDerWaalsContact CE2-O 3.29Å; Y71-S73 WeakPolarHBondContact CE2-O 3.33Å; Y71-S73 VanDerWaalsContact CZ-C 3.41Å; Y71-S73 PolarHBondContact OH-O 3.35Å; Y71-F74 WeakPolarHBondContact OH-CA 3.44Å; Y71-F74 PolarHBondContact OH-N 3.26Å; Y71-F74 VanDerWaalsContact OH-N 3.11Å; Y71-F77 HydrophobicContact CD2-CE2 4.38Å; Y71-F77 HydrophobicContact CE2-CD2 4.37Å; Y71-F77 AromaticContact CE2-CE2 3.36Å; Y71-F77 HydrophobicContact CE2-CE2 3.36Å; Y71-F77 AromaticContact CE2-CZ 3.88Å; Y71-F77 HydrophobicContact CE2-CZ 3.88Å; Y71-F77 AromaticContact CZ-CE2 3.87Å; Y71-D163 HydrophobicContact CD1-CB 4Å; Y71-D163 VanDerWaalsContact CD1-O 3.22Å; Y71-D163 WeakPolarHBondContact CD1-O 3.46Å; Y71-D163 HydrophobicContact CG-CB 4.16Å; Y71-Y164 HydrophobicContact CD1-CE1 4.42Å; Y71-Y164 AromaticContact CE1-CE1 3.75Å; Y71-Y164 HydrophobicContact CE1-CE1 3.75Å; Y71-Y164 AromaticContact CE1-CZ 3.79Å; Y71-Y164 PolarHBondContact OH-OH 2.76Å; Y71-D175 WeakPolarHBondContact CE1-OD2 3.43Å; Y71-D175 PolarHBondContact OH-OD2 3.43Å
72E82.9Confident89.7Confident172 Ų17281.5 Ų81.580%0.80438%0.384SS*.  trans-92.2-63.7176.6-65.2-176171.100110.5
73S90Very high89.7Confident32 Ų3281.9 Ų81.922%0.22439%0.386CS..  trans-168.2175.6-171.762.80000113.7Y71 E75 F76 D175Y71-S73 VanDerWaalsContact CE2-O 3.29Å; Y71-S73 WeakPolarHBondContact CE2-O 3.33Å; Y71-S73 VanDerWaalsContact CZ-C 3.41Å; Y71-S73 PolarHBondContact OH-O 3.35Å; S73-E75 WeakPolarHBondContact CB-OE2 3.48Å; S73-E75 PolarHBondContact O-N 2.91Å; S73-E75 VanDerWaalsContact O-N 3.15Å; S73-E75 PolarHBondContact OG-OE2 3.34Å; S73-F76 PolarHBondContact O-N 3.43Å; S73-D175 WeakPolarHBondContact CA-OD1 3.44Å
74F91.4Very high89.5Confident34 Ų3479.8 Ų79.815%0.14938%0.378CS..G310 helixtrans-61-21.4-177.577.1-81.5000114Y71 F76 F77 D175 K178 R179Y71-F74 WeakPolarHBondContact OH-CA 3.44Å; Y71-F74 PolarHBondContact OH-N 3.26Å; Y71-F74 VanDerWaalsContact OH-N 3.11Å; F74-F76 PolarHBondContact O-N 2.87Å; F74-F76 VanDerWaalsContact O-N 3.11Å; F74-F77 PolarHBondContact O-N 3.29Å; F74-D175 WeakPolarHBondContact CB-OD1 3.13Å; F74-D175 WeakPolarHBondContact CD1-OD1 3.06Å; F74-D175 PolarHBondContact N-OD1 3.23Å; F74-K178 HydrophobicContact CB-CB 4.13Å; F74-K178 HydrophobicContact CD1-CB 3.81Å; F74-K178 HydrophobicContact CD1-CD 3.78Å; F74-K178 HydrophobicContact CD1-CG 4.46Å; F74-K178 HydrophobicContact CD2-CB 3.63Å; F74-K178 HydrophobicContact CE1-CB 4.15Å; F74-K178 HydrophobicContact CE1-CD 3.45Å; F74-K178 VanDerWaalsContact CE1-CD 3.45Å; F74-K178 HydrophobicContact CE1-CG 4.42Å; F74-K178 HydrophobicContact CE2-CB 3.97Å; F74-K178 HydrophobicContact CE2-CD 4.33Å; F74-K178 HydrophobicContact CG-CB 3.54Å; F74-K178 HydrophobicContact CG-CD 4.38Å; F74-K178 HydrophobicContact CZ-CB 4.23Å; F74-K178 HydrophobicContact CZ-CD 3.76Å; F74-K178 HydrophobicContact CZ-CG 4.5Å; F74-R179 HydrophobicContact CB-CB 3.87Å
75E92.7Very high89.3Confident83 Ų8381.8 Ų81.839%0.38839%0.389SS..G310 helixtrans-53.1-31.3177.6-76.581.5174.900112.5S73 F77 R78 N81S73-E75 WeakPolarHBondContact CB-OE2 3.48Å; S73-E75 PolarHBondContact O-N 2.91Å; S73-E75 VanDerWaalsContact O-N 3.15Å; S73-E75 PolarHBondContact OG-OE2 3.34Å; E75-F77 PolarHBondContact O-N 3.23Å; E75-R78 PolarHBondContact O-N 2.83Å; E75-N81 PolarHBondContact O-ND2 3.33Å
76F92.6Very high89.4Confident29 Ų2983.9 Ų83.913%0.12740%0.4CS..G310 helixtrans-59.1-30174177.6-98.1000113.2R64 L68 S73 F74 I87 R88R64-F76 HydrophobicContact CG-CE1 4.14Å; R64-F76 HydrophobicContact CG-CZ 4.3Å; L68-F76 HydrophobicContact CD1-CD1 4.48Å; L68-F76 HydrophobicContact CD1-CD2 4.12Å; L68-F76 HydrophobicContact CD1-CE1 4.11Å; L68-F76 HydrophobicContact CD1-CE2 3.71Å; L68-F76 HydrophobicContact CD1-CG 4.49Å; L68-F76 HydrophobicContact CD1-CZ 3.72Å; L68-F76 HydrophobicContact CD2-CE2 4.34Å; S73-F76 PolarHBondContact O-N 3.43Å; F74-F76 PolarHBondContact O-N 2.87Å; F74-F76 VanDerWaalsContact O-N 3.11Å; F76-I87 HydrophobicContact CE2-CB 4.21Å; F76-I87 HydrophobicContact CE2-CD1 4.26Å; F76-I87 HydrophobicContact CE2-CG2 4.19Å; F76-I87 HydrophobicContact CZ-CB 4.2Å; F76-I87 HydrophobicContact CZ-CG2 3.95Å; F76-R88 HydrophobicContact CE1-CG 3.61Å; F76-R88 HydrophobicContact CZ-CG 3.78Å
77F92.5Very high89.5Confident3 Ų379.2 Ų79.21%0.01338%0.379CS..G310 helixtrans-93.1-5.7-176.7-57.8-68000114.6Y71 F74 E75 R88 R179 C182 Y183Y71-F77 HydrophobicContact CD2-CE2 4.38Å; Y71-F77 HydrophobicContact CE2-CD2 4.37Å; Y71-F77 AromaticContact CE2-CE2 3.36Å; Y71-F77 HydrophobicContact CE2-CE2 3.36Å; Y71-F77 AromaticContact CE2-CZ 3.88Å; Y71-F77 HydrophobicContact CE2-CZ 3.88Å; Y71-F77 AromaticContact CZ-CE2 3.87Å; F74-F77 PolarHBondContact O-N 3.29Å; E75-F77 PolarHBondContact O-N 3.23Å; F77-R88 PolarHBondContact O-NH1 3.42Å; F77-R88 VanDerWaalsContact O-NH1 3.17Å; F77-R88 PolarHBondContact O-NH2 3.3Å; F77-R179 HydrophobicContact CB-CG 4.48Å; F77-R179 HydrophobicContact CD2-CB 4.21Å; F77-R179 HydrophobicContact CD2-CG 3.46Å; F77-R179 VanDerWaalsContact CD2-CG 3.46Å; F77-R179 HydrophobicContact CE2-CG 3.88Å; F77-R179 VanDerWaalsContact CE2-CZ 3.45Å; F77-R179 HydrophobicContact CG-CG 4.05Å; F77-C182 HydrophobicContact CB-CB 4.2Å; F77-Y183 HydrophobicContact CB-CE2 4Å; F77-Y183 HydrophobicContact CD1-CE2 4.25Å; F77-Y183 WeakPolarHBondContact CD1-OH 3.46Å; F77-Y183 HydrophobicContact CG-CE2 4.16Å
78R91.4Very high89.7Confident100 Ų10075.1 Ų75.138%0.37736%0.36SS..  trans-58144.1-178.5-64.3172.358.1123.3-1.4111E75 D80 N81 R88E75-R78 PolarHBondContact O-N 2.83Å; R78-D80 VanDerWaalsContact C-N 3.26Å; R78-D80 WeakPolarHBondContact CB-OD1 3.47Å; R78-D80 IonicContact CZ-OD1 3.8Å; R78-D80 IonicContact CZ-OD2 2.69Å; R78-D80 IonicContact NE-OD1 2.94Å; R78-D80 PolarHBondContact NE-OD1 3.25Å; R78-D80 IonicContact NE-OD2 2.67Å; R78-D80 IonicContact NH2-OD1 3.9Å; R78-D80 PolarHBondContact NH2-OD1 3.19Å; R78-D80 IonicContact NH2-OD2 3.63Å; R78-D80 PolarHBondContact NH2-OD2 2.96Å; R78-D80 PolarHBondContact O-N 2.97Å; R78-N81 HydrophobicContact CB-CB 4.28Å; R78-N81 PolarHBondContact O-N 3.47Å; R78-R88 PolarHBondContact O-NH2 2.97Å
79P86.5Confident90Very high76 Ų7678 Ų7849%0.49437%0.367SS..THydrogen-bonded Turntrans-68.5-26.4-179.327-34.1000112.9N81P79-N81 VanDerWaalsContact C-N 3.33Å
80D89.9Confident90.7Very high101 Ų10173.6 Ų73.654%0.5435%0.349SS..THydrogen-bonded Turntrans-84.5-3.2177.361.5-20000113.7R78 E82R78-D80 VanDerWaalsContact C-N 3.26Å; R78-D80 WeakPolarHBondContact CB-OD1 3.47Å; R78-D80 IonicContact CZ-OD1 3.8Å; R78-D80 IonicContact CZ-OD2 2.69Å; R78-D80 IonicContact NE-OD1 2.94Å; R78-D80 PolarHBondContact NE-OD1 3.25Å; R78-D80 IonicContact NE-OD2 2.67Å; R78-D80 IonicContact NH2-OD1 3.9Å; R78-D80 PolarHBondContact NH2-OD1 3.19Å; R78-D80 IonicContact NH2-OD2 3.63Å; R78-D80 PolarHBondContact NH2-OD2 2.96Å; R78-D80 PolarHBondContact O-N 2.97Å; D80-E82 PolarHBondContact O-N 3.18Å
81N92.6Very high91.4Very high49 Ų4967.4 Ų67.426%0.26232%0.318SS..  trans-84.691.2174.8-175.2-10.1000110.6E75 R78 P79 E83 G84 L85E75-N81 PolarHBondContact O-ND2 3.33Å; R78-N81 HydrophobicContact CB-CB 4.28Å; R78-N81 PolarHBondContact O-N 3.47Å; P79-N81 VanDerWaalsContact C-N 3.33Å; N81-E83 PolarHBondContact O-N 2.9Å; N81-E83 PolarHBondContact OD1-N 3.14Å; N81-G84 PolarHBondContact O-N 3.47Å; N81-G84 PolarHBondContact OD1-N 2.94Å; N81-L85 WeakPolarHBondContact O-CB 3.46Å; N81-L85 PolarHBondContact O-N 2.95Å
82E92.8Very high91.9Very high166 Ų16666.1 Ų66.178%0.77631%0.314SS*.Hα-helixtrans-58.9-42.8-178.2-66.6-172.3169.900113.2D80 L85 K86D80-E82 PolarHBondContact O-N 3.18Å; E82-L85 WeakPolarHBondContact O-CB 3.47Å; E82-L85 PolarHBondContact O-N 3.2Å; E82-K86 WeakPolarHBondContact O-CB 3.42Å; E82-K86 PolarHBondContact O-N 3.34Å
83E92.4Very high92.6Very high105 Ų10561 Ų6149%0.49130%0.297SS..Hα-helixtrans-68.8-42.8179.8-172.259.6-160.100110.9N81 L85 K86 I87N81-E83 PolarHBondContact O-N 2.9Å; N81-E83 PolarHBondContact OD1-N 3.14Å; E83-L85 VanDerWaalsContact C-N 3.31Å; E83-L85 PolarHBondContact O-N 2.92Å; E83-K86 WeakPolarHBondContact O-CB 3.39Å; E83-K86 PolarHBondContact O-N 3.44Å; E83-I87 HydrophobicContact CG-CD1 4.18Å; E83-I87 WeakPolarHBondContact O-CG1 3.41Å; E83-I87 PolarHBondContact O-N 2.79Å
84G91.3Very high92.9Very high1 Ų161.3 Ų61.31%0.0130%0.302CS..Hα-helixtrans-61.6-37.8173.300000112.7N81 R88N81-G84 PolarHBondContact O-N 3.47Å; N81-G84 PolarHBondContact OD1-N 2.94Å; G84-R88 WeakPolarHBondContact O-CB 3.46Å; G84-R88 VanDerWaalsContact O-CG 3.22Å; G84-R88 WeakPolarHBondContact O-CG 3.35Å; G84-R88 PolarHBondContact O-N 2.96Å; G84-R88 PolarHBondContact O-NE 3.38Å
85L90.6Very high93.3Very high54 Ų5459.7 Ų59.728%0.28329%0.294SS..Hα-helixtrans-64-45.7173.1-16982.9000111.5N81 E82 E83 R88 R89N81-L85 WeakPolarHBondContact O-CB 3.46Å; N81-L85 PolarHBondContact O-N 2.95Å; E82-L85 WeakPolarHBondContact O-CB 3.47Å; E82-L85 PolarHBondContact O-N 3.2Å; E83-L85 VanDerWaalsContact C-N 3.31Å; E83-L85 PolarHBondContact O-N 2.92Å; L85-R88 PolarHBondContact O-N 3.41Å; L85-R89 WeakPolarHBondContact O-CG 3.27Å; L85-R89 PolarHBondContact O-N 2.69Å
86K93Very high93.5Very high114 Ų11456.4 Ų56.450%0.49628%0.28SS..Hα-helixtrans-60.5-47.6178.9-174.3-176.4177.5-171.20111.7E82 E83 R89 Q90E82-K86 WeakPolarHBondContact O-CB 3.42Å; E82-K86 PolarHBondContact O-N 3.34Å; E83-K86 WeakPolarHBondContact O-CB 3.39Å; E83-K86 PolarHBondContact O-N 3.44Å; K86-R89 PolarHBondContact O-N 3.28Å; K86-Q90 WeakPolarHBondContact O-CG 3.44Å; K86-Q90 PolarHBondContact O-N 3.2Å
87I93.6Very high93.8Very high19 Ų1958.4 Ų58.410%0.09729%0.292CS..Hα-helixtrans-61.9-45.9176.5-67.2168.9000110.7F67 L68 F76 E83 R89 Q90 C91F67-I87 HydrophobicContact CD1-CG2 3.68Å; F67-I87 HydrophobicContact CE1-CD1 4.33Å; F67-I87 HydrophobicContact CE1-CG1 4.09Å; F67-I87 HydrophobicContact CE1-CG2 3.77Å; L68-I87 HydrophobicContact CD2-CD1 4.19Å; L68-I87 HydrophobicContact CD2-CG2 4.25Å; F76-I87 HydrophobicContact CE2-CB 4.21Å; F76-I87 HydrophobicContact CE2-CD1 4.26Å; F76-I87 HydrophobicContact CE2-CG2 4.19Å; F76-I87 HydrophobicContact CZ-CB 4.2Å; F76-I87 HydrophobicContact CZ-CG2 3.95Å; E83-I87 HydrophobicContact CG-CD1 4.18Å; E83-I87 WeakPolarHBondContact O-CG1 3.41Å; E83-I87 PolarHBondContact O-N 2.79Å; I87-R89 VanDerWaalsContact C-N 3.3Å; I87-R89 PolarHBondContact O-N 3.37Å; I87-Q90 WeakPolarHBondContact O-CB 3.44Å; I87-Q90 PolarHBondContact O-N 3.45Å; I87-Q90 VanDerWaalsContact O-N 3.14Å; I87-C91 PolarHBondContact O-N 3.27Å; I87-C91 PolarHBondContact O-SG 2.95Å
88R93.1Very high94.1Very high36 Ų3661.1 Ų61.114%0.13631%0.306CS..Hα-helixtrans-60.7-37.4177-75-177.4-65.2173.9-5.8112.7F76 F77 R78 G84 L85 A92 Y183F76-R88 HydrophobicContact CE1-CG 3.61Å; F76-R88 HydrophobicContact CZ-CG 3.78Å; F77-R88 PolarHBondContact O-NH1 3.42Å; F77-R88 VanDerWaalsContact O-NH1 3.17Å; F77-R88 PolarHBondContact O-NH2 3.3Å; R78-R88 PolarHBondContact O-NH2 2.97Å; G84-R88 WeakPolarHBondContact O-CB 3.46Å; G84-R88 VanDerWaalsContact O-CG 3.22Å; G84-R88 WeakPolarHBondContact O-CG 3.35Å; G84-R88 PolarHBondContact O-N 2.96Å; G84-R88 PolarHBondContact O-NE 3.38Å; L85-R88 PolarHBondContact O-N 3.41Å; R88-A92 WeakPolarHBondContact O-CB 3.39Å; R88-A92 PolarHBondContact O-N 2.87Å; R88-A92 VanDerWaalsContact O-N 3.1Å; R88-Y183 PolarHBondContact NH1-OH 3.17Å
89R93.3Very high94.4Very high114 Ų11456.3 Ų56.343%0.4329%0.288SS..Hα-helixtrans-66.2-42174-77.7179.1172.2163.8-2.1111.3L85 K86 I87 A92 S93 E121L85-R89 WeakPolarHBondContact O-CG 3.27Å; L85-R89 PolarHBondContact O-N 2.69Å; K86-R89 PolarHBondContact O-N 3.28Å; I87-R89 VanDerWaalsContact C-N 3.3Å; I87-R89 PolarHBondContact O-N 3.37Å; R89-A92 PolarHBondContact O-N 2.89Å; R89-S93 WeakPolarHBondContact O-CB 3.46Å; R89-S93 PolarHBondContact O-N 2.91Å; R89-E121 IonicContact CZ-OE1 3.31Å; R89-E121 IonicContact NH2-OE1 3.11Å; R89-E121 PolarHBondContact NH2-OE1 2.87Å
90Q94.9Very high95Very high91 Ų9157.9 Ų57.943%0.42528%0.284SS..Hα-helixtrans-61.8-44.8175.3-73175.3-15.100112.3K86 I87 A92 S93 A94K86-Q90 WeakPolarHBondContact O-CG 3.44Å; K86-Q90 PolarHBondContact O-N 3.2Å; I87-Q90 WeakPolarHBondContact O-CB 3.44Å; I87-Q90 PolarHBondContact O-N 3.45Å; I87-Q90 VanDerWaalsContact O-N 3.14Å; Q90-A92 VanDerWaalsContact C-N 3.35Å; Q90-A92 PolarHBondContact O-N 3.42Å; Q90-S93 PolarHBondContact O-N 2.88Å; Q90-A94 PolarHBondContact O-N 3.1Å
91C96.6Very high95.4Very high4 Ų457 Ų573%0.02728%0.277CS..Hα-helixtrans-62.1-41176.4-64.60000112.3V60 R64 I87 A94 A95V60-C91 HydrophobicContact CG1-CB 4.22Å; R64-C91 VanDerWaalsContact CA-SG 3.54Å; R64-C91 HydrophobicContact CB-CB 4.43Å; I87-C91 PolarHBondContact O-N 3.27Å; I87-C91 PolarHBondContact O-SG 2.95Å; C91-A94 PolarHBondContact O-N 3.19Å; C91-A95 PolarHBondContact O-N 3.06Å
92A96.2Very high95.7Very high6 Ų655.2 Ų55.25%0.0527%0.267CS..Hα-helixtrans-64.2-41.8175.500000111.8V60 R88 R89 Q90 A95 L96 F113V60-A92 HydrophobicContact CG1-CB 4.35Å; R88-A92 WeakPolarHBondContact O-CB 3.39Å; R88-A92 PolarHBondContact O-N 2.87Å; R88-A92 VanDerWaalsContact O-N 3.1Å; R89-A92 PolarHBondContact O-N 2.89Å; Q90-A92 VanDerWaalsContact C-N 3.35Å; Q90-A92 PolarHBondContact O-N 3.42Å; A92-A95 PolarHBondContact O-N 2.91Å; A92-L96 WeakPolarHBondContact O-CG 3.18Å; A92-L96 PolarHBondContact O-N 2.9Å; A92-F113 HydrophobicContact CB-CZ 4.25Å
93S96.6Very high95.9Very high63 Ų6347.8 Ų47.844%0.44123%0.232SC..Hα-helixtrans-64.1-43176.3179.50000112.2R89 Q90 A95 L96 N97R89-S93 WeakPolarHBondContact O-CB 3.46Å; R89-S93 PolarHBondContact O-N 2.91Å; Q90-S93 PolarHBondContact O-N 2.88Å; S93-A95 PolarHBondContact O-N 2.88Å; S93-L96 PolarHBondContact O-N 3.09Å; S93-N97 PolarHBondContact O-N 3.14Å; S93-N97 PolarHBondContact O-ND2 2.81Å
94A97.7Very high96.1Very high39 Ų3946.4 Ų46.432%0.32223%0.231SC..Hα-helixtrans-58.2-4817400000111.5Y63 Q90 C91 L96 N97 D98Y63-A94 HydrophobicContact CD1-CB 4.1Å; Y63-A94 HydrophobicContact CE1-CB 4.48Å; Q90-A94 PolarHBondContact O-N 3.1Å; C91-A94 PolarHBondContact O-N 3.19Å; A94-L96 PolarHBondContact O-N 2.77Å; A94-N97 WeakPolarHBondContact O-CB 3.32Å; A94-N97 PolarHBondContact O-N 2.76Å; A94-D98 PolarHBondContact O-N 2.97Å
95A98.2Very high96.3Very high0 Ų052.8 Ų52.80%026%0.26CS..Hα-helixtrans-62-39.1176.500000112.9V60 Y63 C91 A92 S93 N97 D98 V99 F113V60-A95 HydrophobicContact CG2-CB 4.06Å; Y63-A95 HydrophobicContact CD1-CB 4.33Å; Y63-A95 HydrophobicContact CD2-CB 3.75Å; Y63-A95 HydrophobicContact CE1-CB 4.22Å; Y63-A95 HydrophobicContact CE2-CB 3.63Å; Y63-A95 HydrophobicContact CG-CB 4.12Å; C91-A95 PolarHBondContact O-N 3.06Å; A92-A95 PolarHBondContact O-N 2.91Å; S93-A95 PolarHBondContact O-N 2.88Å; A95-N97 VanDerWaalsContact C-N 3.35Å; A95-D98 PolarHBondContact O-N 3.38Å; A95-V99 WeakPolarHBondContact O-CG2 3.42Å; A95-V99 PolarHBondContact O-N 3.08Å; A95-F113 HydrophobicContact CB-CD2 4.46Å; A95-F113 HydrophobicContact CB-CE2 3.75Å
96L98.3Very high96.6Very high15 Ų1554.4 Ų54.48%0.07927%0.266CS..Hα-helixtrans-66.9-33.6175.5-72.5174.1000112.7A92 S93 A94 D98 V99 R100 F113 I126 F129A92-L96 WeakPolarHBondContact O-CG 3.18Å; A92-L96 PolarHBondContact O-N 2.9Å; S93-L96 PolarHBondContact O-N 3.09Å; A94-L96 PolarHBondContact O-N 2.77Å; L96-D98 VanDerWaalsContact C-N 3.34Å; L96-V99 WeakPolarHBondContact O-CB 3.27Å; L96-V99 PolarHBondContact O-N 2.91Å; L96-R100 PolarHBondContact O-N 3.27Å; L96-F113 HydrophobicContact CD2-CD2 3.84Å; L96-F113 HydrophobicContact CD2-CE2 3.65Å; L96-F113 HydrophobicContact CD2-CG 4.4Å; L96-F113 HydrophobicContact CD2-CZ 4.09Å; L96-F113 HydrophobicContact CG-CD2 4.4Å; L96-F113 HydrophobicContact CG-CE2 3.72Å; L96-F113 HydrophobicContact CG-CZ 4.03Å; L96-I126 HydrophobicContact CD1-CG1 4.48Å; L96-F129 HydrophobicContact CB-CD2 4.22Å; L96-F129 HydrophobicContact CB-CE1 4.38Å; L96-F129 HydrophobicContact CB-CE2 3.93Å; L96-F129 HydrophobicContact CB-CZ 4.02Å; L96-F129 HydrophobicContact CD1-CG 4.3Å; L96-F129 HydrophobicContact CD2-CD1 3.82Å; L96-F129 HydrophobicContact CD2-CE1 3.83Å; L96-F129 HydrophobicContact CD2-CG 4.32Å; L96-F129 HydrophobicContact CD2-CZ 4.32Å; L96-F129 WeakPolarHBondContact O-CZ 3.39Å
97N98Very high96.7Very high71 Ų7151.6 Ų51.638%0.3827%0.27SS..Hα-helixtrans-63.6-41.7173.6-71.6-37000111.5S93 A94 A95 R100 Q101S93-N97 PolarHBondContact O-N 3.14Å; S93-N97 PolarHBondContact O-ND2 2.81Å; A94-N97 WeakPolarHBondContact O-CB 3.32Å; A94-N97 PolarHBondContact O-N 2.76Å; A95-N97 VanDerWaalsContact C-N 3.35Å; N97-R100 WeakPolarHBondContact O-CB 3.24Å; N97-R100 PolarHBondContact O-N 3.4Å; N97-Q101 PolarHBondContact O-N 3.2Å
98D98.5Very high96.8Very high59 Ų5951 Ų5132%0.31627%0.268SS..Hα-helixtrans-69.4-34.8176.4-64.2-5.5000111.7F58 Y63 A94 A95 L96 R100 Q101 Y102F58-D98 HydrophobicContact CD1-CB 3.97Å; F58-D98 HydrophobicContact CE1-CB 3.7Å; Y63-D98 WeakPolarHBondContact CE1-OD2 3.09Å; Y63-D98 VanDerWaalsContact CZ-OD2 3.27Å; Y63-D98 WeakPolarHBondContact OH-CB 3.45Å; Y63-D98 PolarHBondContact OH-OD2 3.23Å; A94-D98 PolarHBondContact O-N 2.97Å; A95-D98 PolarHBondContact O-N 3.38Å; L96-D98 VanDerWaalsContact C-N 3.34Å; D98-R100 VanDerWaalsContact C-N 3.34Å; D98-Q101 PolarHBondContact O-N 2.88Å; D98-Y102 WeakPolarHBondContact O-CB 3.36Å; D98-Y102 PolarHBondContact O-N 3.43Å
99V98.6Very high97Very high0 Ų051.2 Ų51.20%027%0.271CS..Hα-helixtrans-56.9-48.8169.2164.40000110.3L26 F58 A95 L96 Y102 L103 A111 F113 F129L26-V99 HydrophobicContact CD1-CG1 3.8Å; L26-V99 HydrophobicContact CD1-CG2 4.43Å; F58-V99 HydrophobicContact CB-CG2 4.05Å; F58-V99 HydrophobicContact CD1-CG2 3.93Å; F58-V99 HydrophobicContact CD2-CG2 3.46Å; F58-V99 VanDerWaalsContact CD2-CG2 3.46Å; F58-V99 HydrophobicContact CE1-CG2 4.25Å; F58-V99 HydrophobicContact CE2-CG2 3.81Å; F58-V99 HydrophobicContact CG-CG2 3.52Å; F58-V99 HydrophobicContact CZ-CG2 4.19Å; A95-V99 WeakPolarHBondContact O-CG2 3.42Å; A95-V99 PolarHBondContact O-N 3.08Å; L96-V99 WeakPolarHBondContact O-CB 3.27Å; L96-V99 PolarHBondContact O-N 2.91Å; V99-Y102 PolarHBondContact O-N 2.95Å; V99-L103 HydrophobicContact CG1-CD1 3.95Å; V99-L103 HydrophobicContact CG1-CG 4.45Å; V99-L103 WeakPolarHBondContact O-CB 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.32Å; V99-L103 PolarHBondContact O-N 3.15Å; V99-A111 HydrophobicContact CB-CB 4.47Å; V99-A111 HydrophobicContact CG1-CB 3.8Å; V99-A111 HydrophobicContact CG2-CB 4.18Å; V99-F113 HydrophobicContact CG2-CD2 4.27Å; V99-F129 HydrophobicContact CG1-CE1 4.05Å; V99-F129 HydrophobicContact CG1-CZ 4.32Å
100R98.3Very high97.3Very high108 Ų10845.8 Ų45.841%0.40825%0.25SS..Hα-helixtrans-59.2-50.6178.8-175.6-176.366.8-178.4-1110.4L96 N97 D98 Y102 L103 T104 F129 N133 F135L96-R100 PolarHBondContact O-N 3.27Å; N97-R100 WeakPolarHBondContact O-CB 3.24Å; N97-R100 PolarHBondContact O-N 3.4Å; D98-R100 VanDerWaalsContact C-N 3.34Å; R100-Y102 VanDerWaalsContact C-N 3.33Å; R100-Y102 PolarHBondContact O-N 3.25Å; R100-L103 PolarHBondContact O-N 3.08Å; R100-T104 HydrophobicContact CG-CG2 4.31Å; R100-T104 WeakPolarHBondContact O-CB 3.35Å; R100-T104 WeakPolarHBondContact O-CG2 3.12Å; R100-T104 PolarHBondContact O-N 2.86Å; R100-T104 PolarHBondContact O-OG1 3.4Å; R100-F129 HydrophobicContact CB-CE2 4.25Å; R100-F129 HydrophobicContact CB-CZ 3.92Å; R100-N133 WeakPolarHBondContact CD-OD1 3.5Å; R100-N133 WeakPolarHBondContact CG-OD1 3.48Å; R100-F135 HydrophobicContact CG-CZ 4.47Å
101Q98.3Very high97.5Very high82 Ų8241.5 Ų41.538%0.38323%0.23SC..Hα-helixtrans-56.4-48.5179.5-176.5178.41.300110.9N97 D98 L103 T104 E105 E106N97-Q101 PolarHBondContact O-N 3.2Å; D98-Q101 PolarHBondContact O-N 2.88Å; Q101-L103 PolarHBondContact O-N 3.23Å; Q101-T104 PolarHBondContact O-N 3.45Å; Q101-E105 HydrophobicContact CG-CB 4.42Å; Q101-E105 WeakPolarHBondContact O-CA 3.27Å; Q101-E105 WeakPolarHBondContact O-CB 3.39Å; Q101-E105 PolarHBondContact O-N 3.17Å; Q101-E106 PolarHBondContact O-N 3.01Å
102Y98.6Very high97.6Very high13 Ų1341.3 Ų41.35%0.05123%0.229CC..Hα-helixtrans-61-46.5-179.7176-113.1000113.4P54 T55 R56 F58 D98 V99 R100 E106 G108 V110 A111P54-Y102 PolarHBondContact O-OH 2.93Å; T55-Y102 VanDerWaalsContact C-OH 3.32Å; T55-Y102 WeakPolarHBondContact CA-OH 3.47Å; T55-Y102 PolarHBondContact N-OH 2.75Å; T55-Y102 VanDerWaalsContact N-OH 3.12Å; R56-Y102 HydrophobicContact CB-CD1 3.94Å; R56-Y102 HydrophobicContact CB-CD2 4.34Å; R56-Y102 HydrophobicContact CB-CE1 3.56Å; R56-Y102 HydrophobicContact CB-CE2 4Å; R56-Y102 HydrophobicContact CB-CG 4.31Å; R56-Y102 VanDerWaalsContact CZ-CD2 3.44Å; F58-Y102 HydrophobicContact CE2-CD1 4.02Å; F58-Y102 HydrophobicContact CE2-CG 4.46Å; F58-Y102 AromaticContact CZ-CD1 3.95Å; F58-Y102 HydrophobicContact CZ-CD1 3.95Å; F58-Y102 AromaticContact CZ-CG 3.92Å; F58-Y102 HydrophobicContact CZ-CG 3.92Å; D98-Y102 WeakPolarHBondContact O-CB 3.36Å; D98-Y102 PolarHBondContact O-N 3.43Å; V99-Y102 PolarHBondContact O-N 2.95Å; R100-Y102 VanDerWaalsContact C-N 3.33Å; R100-Y102 PolarHBondContact O-N 3.25Å; Y102-E106 HydrophobicContact CD2-CB 4.02Å; Y102-E106 PolarHBondContact O-N 2.96Å; Y102-G108 PolarHBondContact O-N 3.33Å; Y102-V110 WeakPolarHBondContact CE1-O 3.48Å; Y102-A111 HydrophobicContact CD1-CB 4.48Å
103L97.6Very high97.7Very high10 Ų1041 Ų415%0.05223%0.227CC..Hα-helixtrans-77.3-20.7-176.6-65-176.1000113.9P24 V99 R100 Q101 A111 F135P24-L103 HydrophobicContact CB-CB 4.1Å; P24-L103 HydrophobicContact CB-CD1 4.03Å; P24-L103 HydrophobicContact CB-CD2 4.07Å; P24-L103 HydrophobicContact CB-CG 4.29Å; V99-L103 HydrophobicContact CG1-CD1 3.95Å; V99-L103 HydrophobicContact CG1-CG 4.45Å; V99-L103 WeakPolarHBondContact O-CB 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.32Å; V99-L103 PolarHBondContact O-N 3.15Å; R100-L103 PolarHBondContact O-N 3.08Å; Q101-L103 PolarHBondContact O-N 3.23Å; L103-A111 HydrophobicContact CD1-CB 3.81Å; L103-A111 HydrophobicContact CD2-CB 3.96Å; L103-A111 HydrophobicContact CG-CB 3.96Å; L103-F135 HydrophobicContact CB-CD1 4.48Å; L103-F135 HydrophobicContact CB-CE1 3.79Å; L103-F135 HydrophobicContact CB-CZ 3.81Å; L103-F135 HydrophobicContact CD1-CD1 4.12Å; L103-F135 HydrophobicContact CD1-CD2 4.02Å; L103-F135 HydrophobicContact CD1-CE1 4.12Å; L103-F135 HydrophobicContact CD1-CE2 4.01Å; L103-F135 HydrophobicContact CD1-CG 4.08Å; L103-F135 HydrophobicContact CD1-CZ 4.06Å
104T96.4Very high97.7Very high75 Ų7538.3 Ų38.346%0.4621%0.207SC..Hα-helixtrans-109.2-31.6-175.660.30000113.9R100 Q101 F135R100-T104 HydrophobicContact CG-CG2 4.31Å; R100-T104 WeakPolarHBondContact O-CB 3.35Å; R100-T104 WeakPolarHBondContact O-CG2 3.12Å; R100-T104 PolarHBondContact O-N 2.86Å; R100-T104 PolarHBondContact O-OG1 3.4Å; Q101-T104 PolarHBondContact O-N 3.45Å; T104-F135 HydrophobicContact CG2-CE1 3.82Å; T104-F135 HydrophobicContact CG2-CZ 3.75Å
105E96.2Very high97.7Very high136 Ų13637 Ų3764%0.63620%0.197SC*.THydrogen-bonded Turntrans-113.7-32.9-171.9-58.8176.2-160.600112.8Q101Q101-E105 HydrophobicContact CG-CB 4.42Å; Q101-E105 WeakPolarHBondContact O-CA 3.27Å; Q101-E105 WeakPolarHBondContact O-CB 3.39Å; Q101-E105 PolarHBondContact O-N 3.17Å
106E96.8Very high97.6Very high87 Ų8738.6 Ų38.641%0.40721%0.206SC..SBendtrans-96.40.6-174.7-58.8179.1-144.400114.2R56 Q101 Y102 G108R56-E106 IonicContact CZ-OE2 3.84Å; R56-E106 IonicContact NH1-OE1 2.99Å; R56-E106 PolarHBondContact NH1-OE1 3.46Å; R56-E106 IonicContact NH1-OE2 3.97Å; R56-E106 PolarHBondContact NH1-OE2 2.94Å; R56-E106 IonicContact NH2-OE2 2.76Å; R56-E106 PolarHBondContact NH2-OE2 3.39Å; Q101-E106 PolarHBondContact O-N 3.01Å; Y102-E106 HydrophobicContact CD2-CB 4.02Å; Y102-E106 PolarHBondContact O-N 2.96Å; E106-G108 VanDerWaalsContact C-N 3.35Å
107G94.5Very high97.6Very high56 Ų5637.9 Ų37.958%0.57720%0.203SC*.  trans76.118.1-179.200000114.7
108G96.8Very high97.5Very high5 Ų534.8 Ų34.85%0.05219%0.186CC..  trans-63.7143.6172.300000112.7Y102 E106Y102-G108 PolarHBondContact O-N 3.33Å; E106-G108 VanDerWaalsContact C-N 3.35Å
109Q97.5Very high97.4Very high42 Ų4233.7 Ų33.720%0.19618%0.182CC..SBendtrans-106.9-32.9177.7-70.6-176.714.500112.7T21 P24 T25 V53 P54T21-Q109 HydrophobicContact CG2-CB 4.36Å; T21-Q109 VanDerWaalsContact OG1-CD 3.23Å; T21-Q109 PolarHBondContact OG1-OE1 3.22Å; T21-Q109 VanDerWaalsContact OG1-OE1 3.06Å; P24-Q109 CarbonylContact C-O 3.58Å; P24-Q109 VanDerWaalsContact CA-O 3.25Å; P24-Q109 WeakPolarHBondContact CA-O 3.46Å; T25-Q109 PolarHBondContact N-O 2.86Å; V53-Q109 HydrophobicContact CG1-CB 4.08Å; P54-Q109 HydrophobicContact CG-CG 4.47Å; P54-Q109 PolarHBondContact O-N 3.45Å
110V98.5Very high97.4Very high0 Ų036.7 Ų36.70%019%0.193CC..EExtended strand (participates in β ladder)trans-133.3131.3179.5-178.30000110.5T25 I27 L48 V53 P54 T55 R56 Y102 V219T25-V110 CarbonylContact O-C 3.6Å; T25-V110 VanDerWaalsContact O-CA 3.27Å; T25-V110 WeakPolarHBondContact O-CA 3.44Å; I27-V110 HydrophobicContact CD1-CG1 3.59Å; I27-V110 HydrophobicContact CG1-CG1 3.8Å; L48-V110 HydrophobicContact CD1-CB 4.35Å; L48-V110 HydrophobicContact CD1-CG1 3.97Å; L48-V110 HydrophobicContact CD1-CG2 4.42Å; V53-V110 HydrophobicContact CG1-CG2 3.71Å; P54-V110 PolarHBondContact O-N 3.35Å; P54-V110 VanDerWaalsContact O-N 3.08Å; T55-V110 VanDerWaalsContact CA-O 3.23Å; T55-V110 WeakPolarHBondContact CA-O 3.4Å; T55-V110 HydrophobicContact CG2-CB 3.88Å; T55-V110 HydrophobicContact CG2-CG1 3.92Å; T55-V110 WeakPolarHBondContact CG2-O 3.46Å; R56-V110 PolarHBondContact N-O 3.1Å; R56-V110 VanDerWaalsContact N-O 3.15Å; Y102-V110 WeakPolarHBondContact CE1-O 3.48Å; V110-V219 HydrophobicContact CG2-CG1 4.14Å
111A98.7Very high97.2Very high0 Ų036.9 Ų36.90%020%0.198CC..EExtended strand (participates in β ladder)trans-114130.7171.500000109.5T25 L26 I27 R56 F58 V99 Y102 L103T25-A111 PolarHBondContact O-N 2.69Å; L26-A111 CarbonylContact C-O 3.55Å; L26-A111 HydrophobicContact CD1-CB 4.02Å; I27-A111 PolarHBondContact N-O 2.76Å; R56-A111 WeakPolarHBondContact O-CA 3.23Å; F58-A111 HydrophobicContact CD2-CB 4.05Å; F58-A111 HydrophobicContact CE2-CB 3.68Å; V99-A111 HydrophobicContact CB-CB 4.47Å; V99-A111 HydrophobicContact CG1-CB 3.8Å; V99-A111 HydrophobicContact CG2-CB 4.18Å; Y102-A111 HydrophobicContact CD1-CB 4.48Å; L103-A111 HydrophobicContact CD1-CB 3.81Å; L103-A111 HydrophobicContact CD2-CB 3.96Å; L103-A111 HydrophobicContact CG-CB 3.96Å
112V98.7Very high97.1Very high1 Ų135.2 Ų35.21%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-102.8104.1175.3-171.40000109.1I27 T29 T45 T55 R56 E57 F58 D114I27-V112 HydrophobicContact CB-CG1 4.38Å; I27-V112 HydrophobicContact CB-CG2 4.28Å; I27-V112 HydrophobicContact CD1-CG2 4.26Å; I27-V112 HydrophobicContact CG2-CG1 4.27Å; I27-V112 CarbonylContact O-C 3.57Å; T29-V112 HydrophobicContact CG2-CG1 4.33Å; T45-V112 WeakPolarHBondContact OG1-CG2 3.43Å; T55-V112 HydrophobicContact CG2-CG2 3.96Å; R56-V112 PolarHBondContact O-N 3.35Å; E57-V112 CarbonylContact C-O 3.53Å; E57-V112 WeakPolarHBondContact CA-O 3.41Å; E57-V112 HydrophobicContact CB-CB 4.47Å; F58-V112 PolarHBondContact N-O 3.26Å; V112-D114 PolarHBondContact O-N 3.49Å
113F98.6Very high97.1Very high0 Ų034.7 Ų34.70%019%0.187CC..EExtended strand (participates in β ladder)trans-84.196.4177.4-171.3-103000110.1L26 I27 V28 T29 V60 A92 A95 L96 V99 A115 I126L26-F113 HydrophobicContact CD1-CB 3.9Å; I27-F113 PolarHBondContact O-N 2.95Å; V28-F113 HydrophobicContact CG1-CD1 4.42Å; T29-F113 PolarHBondContact N-O 3Å; T29-F113 VanDerWaalsContact N-O 3.14Å; T29-F113 PolarHBondContact OG1-O 2.86Å; V60-F113 HydrophobicContact CG2-CD2 4.35Å; V60-F113 HydrophobicContact CG2-CE1 4.02Å; V60-F113 HydrophobicContact CG2-CE2 3.64Å; V60-F113 HydrophobicContact CG2-CZ 3.45Å; V60-F113 VanDerWaalsContact CG2-CZ 3.45Å; A92-F113 HydrophobicContact CB-CZ 4.25Å; A95-F113 HydrophobicContact CB-CD2 4.46Å; A95-F113 HydrophobicContact CB-CE2 3.75Å; L96-F113 HydrophobicContact CD2-CD2 3.84Å; L96-F113 HydrophobicContact CD2-CE2 3.65Å; L96-F113 HydrophobicContact CD2-CG 4.4Å; L96-F113 HydrophobicContact CD2-CZ 4.09Å; L96-F113 HydrophobicContact CG-CD2 4.4Å; L96-F113 HydrophobicContact CG-CE2 3.72Å; L96-F113 HydrophobicContact CG-CZ 4.03Å; V99-F113 HydrophobicContact CG2-CD2 4.27Å; F113-A115 HydrophobicContact CD1-CB 4.48Å; F113-A115 HydrophobicContact CE1-CB 4.1Å; F113-A115 PolarHBondContact O-N 3.3Å; F113-I126 HydrophobicContact CD1-CD1 4.05Å; F113-I126 HydrophobicContact CE1-CD1 3.75Å; F113-I126 HydrophobicContact CE1-CG1 4.45Å
114D97.9Very high97.1Very high5 Ų537.9 Ų37.93%0.02720%0.204CC..EExtended strand (participates in β ladder)trans-88.1103.5-177.3-175.132.4000112.1T29 K37 T38 E57 F58 N59 V60 V112T29-D114 WeakPolarHBondContact OG1-CA 3.25Å; T29-D114 PolarHBondContact OG1-OD1 2.67Å; K37-D114 WeakPolarHBondContact CB-OD1 3.48Å; T38-D114 WeakPolarHBondContact CA-OD2 3.26Å; T38-D114 WeakPolarHBondContact CB-OD2 3.45Å; T38-D114 PolarHBondContact OG1-OD2 2.77Å; E57-D114 HydrophobicContact CG-CB 4.22Å; F58-D114 PolarHBondContact O-N 2.73Å; N59-D114 PolarHBondContact ND2-OD2 2.78Å; V60-D114 PolarHBondContact N-O 2.88Å; V112-D114 PolarHBondContact O-N 3.49Å
115A96.8Very high97.2Very high13 Ų1337.5 Ų37.511%0.10720%0.202CC..SBendtrans-152.7179.4173.600000111.3T29 K37 V60 F113T29-A115 PolarHBondContact OG1-N 2.82Å; T29-A115 VanDerWaalsContact OG1-N 3.08Å; T29-A115 PolarHBondContact OG1-O 3.49Å; K37-A115 WeakPolarHBondContact CD-O 3.47Å; K37-A115 WeakPolarHBondContact CE-O 3.33Å; V60-A115 HydrophobicContact CB-CB 3.93Å; V60-A115 HydrophobicContact CG2-CB 3.75Å; F113-A115 HydrophobicContact CD1-CB 4.48Å; F113-A115 HydrophobicContact CE1-CB 4.1Å; F113-A115 PolarHBondContact O-N 3.3Å
116T96.3Very high97.3Very high32 Ų3231.1 Ų31.120%0.19617%0.172CC..  trans-71.3-42.8177.250.30000112.5V30 G31 P33 T118 Y183V30-T116 CarbonylContact C-O 3.53Å; V30-T116 WeakPolarHBondContact CA-O 3.42Å; G31-T116 PolarHBondContact N-O 2.56Å; G31-T116 WeakPolarHBondContact O-CA 3.33Å; P33-T116 HydrophobicContact CG-CG2 4.27Å; T116-T118 PolarHBondContact O-N 3.05Å; T116-Y183 HydrophobicContact CG2-CD1 4.25Å; T116-Y183 HydrophobicContact CG2-CE1 4Å; T116-Y183 WeakPolarHBondContact OG1-CE1 3.38Å
117N97.7Very high97.3Very high1 Ų129 Ų291%0.00516%0.163CC..  trans43.238.8178.3-55.9-40.3000114V28 T29 V30 T119 R122 R123V28-N117 HydrophobicContact CG1-CB 4.29Å; V28-N117 WeakPolarHBondContact CG1-ND2 3.26Å; T29-N117 WeakPolarHBondContact O-CB 3.22Å; T29-N117 PolarHBondContact O-ND2 2.93Å; V30-N117 HydrophobicContact CG2-CB 4.24Å; N117-T119 PolarHBondContact O-N 3.29Å; N117-R122 HydrophobicContact CB-CG 4.42Å; N117-R123 HydrophobicContact CB-CG 4.43Å; N117-R123 PolarHBondContact O-NH1 3.31Å
118T96.9Very high97.5Very high6 Ų631.5 Ų31.54%0.03716%0.16CC..  trans-76.5-17.1-169.444.10000113.9L32 T116 R123 Y187 E188L32-T118 HydrophobicContact CD2-CG2 4.27Å; T116-T118 PolarHBondContact O-N 3.05Å; T118-R123 PolarHBondContact O-NH1 2.9Å; T118-Y187 HydrophobicContact CG2-CD2 3.53Å; T118-Y187 HydrophobicContact CG2-CE2 3.86Å; T118-Y187 HydrophobicContact CG2-CG 4.17Å; T118-E188 PolarHBondContact O-N 2.9Å
119T96.6Very high97.6Very high35 Ų3532.5 Ų32.522%0.21516%0.163CC..SBendtrans-103.2149.3-179.967.30000111.3N117 R122 R123 S186 E188N117-T119 PolarHBondContact O-N 3.29Å; T119-R122 PolarHBondContact O-N 2.92Å; T119-R122 WeakPolarHBondContact OG1-CB 3.08Å; T119-R122 PolarHBondContact OG1-N 3.03Å; T119-R123 PolarHBondContact O-N 2.7Å; T119-S186 WeakPolarHBondContact CG2-O 3.47Å; T119-E188 WeakPolarHBondContact CA-OE2 3.47Å
120R97Very high97.6Very high63 Ų6330.6 Ų30.624%0.23815%0.154CC..Hα-helixtrans-62-45173.7-75-176.3178.4100.24.7111.9R122 R123 D124 E188 D195R120-R122 PolarHBondContact O-N 2.92Å; R120-R122 VanDerWaalsContact O-N 3.1Å; R120-R123 CarbonylContact O-C 3.58Å; R120-R123 WeakPolarHBondContact O-CA 3.47Å; R120-R123 PolarHBondContact O-N 3.45Å; R120-D124 VanDerWaalsContact O-CG 3.32Å; R120-D124 PolarHBondContact O-N 3.38Å; R120-E188 HydrophobicContact CG-CB 4.19Å; R120-E188 IonicContact CZ-OE1 3.96Å; R120-E188 PolarHBondContact N-OE2 3.38Å; R120-E188 IonicContact NH1-OE1 3.56Å; R120-E188 PolarHBondContact NH1-OE1 2.91Å; R120-D195 IonicContact NE-OD2 3.25Å; R120-D195 IonicContact NH2-OD2 3.44Å
121E95.9Very high97.5Very high112 Ų11238.4 Ų38.452%0.52319%0.191SC..Hα-helixtrans-49-43.7176-175.7-159.2145.300112.2R89 T125R89-E121 IonicContact CZ-OE1 3.31Å; R89-E121 IonicContact NH2-OE1 3.11Å; R89-E121 PolarHBondContact NH2-OE1 2.87Å; E121-T125 PolarHBondContact O-N 2.93Å; E121-T125 VanDerWaalsContact O-N 3.11Å; E121-T125 PolarHBondContact O-OG1 3.47Å
122R95.6Very high97.5Very high48 Ų4845.6 Ų45.618%0.18122%0.224CC..Hα-helixtrans-68.1-42.7178.2177.257.562.885.15111.7N117 T119 R120 T125 I126N117-R122 HydrophobicContact CB-CG 4.42Å; T119-R122 PolarHBondContact O-N 2.92Å; T119-R122 WeakPolarHBondContact OG1-CB 3.08Å; T119-R122 PolarHBondContact OG1-N 3.03Å; R120-R122 PolarHBondContact O-N 2.92Å; R120-R122 VanDerWaalsContact O-N 3.1Å; R122-T125 WeakPolarHBondContact O-CB 3.27Å; R122-T125 PolarHBondContact O-N 3.48Å; R122-I126 HydrophobicContact CG-CD1 4.09Å; R122-I126 WeakPolarHBondContact O-CG1 3.17Å; R122-I126 PolarHBondContact O-N 3.01Å
123R98.2Very high97.4Very high1 Ų147.8 Ų47.80%0.00424%0.236CC..Hα-helixtrans-66.5-39.4179.5-65.9-167-61.8-96.813.9111.3N117 T118 T119 R120 T125 I126 L127 F139 E188 D195N117-R123 HydrophobicContact CB-CG 4.43Å; N117-R123 PolarHBondContact O-NH1 3.31Å; T118-R123 PolarHBondContact O-NH1 2.9Å; T119-R123 PolarHBondContact O-N 2.7Å; R120-R123 CarbonylContact O-C 3.58Å; R120-R123 WeakPolarHBondContact O-CA 3.47Å; R120-R123 PolarHBondContact O-N 3.45Å; R123-T125 PolarHBondContact O-N 2.87Å; R123-I126 PolarHBondContact O-N 3.39Å; R123-I126 VanDerWaalsContact O-N 3.11Å; R123-L127 WeakPolarHBondContact O-CG 3.38Å; R123-L127 PolarHBondContact O-N 2.92Å; R123-F139 HydrophobicContact CB-CE1 3.94Å; R123-F139 HydrophobicContact CB-CZ 4.26Å; R123-F139 HydrophobicContact CG-CD1 4.47Å; R123-F139 HydrophobicContact CG-CE1 3.87Å; R123-E188 PolarHBondContact NH1-O 3.36Å; R123-E188 PolarHBondContact NH2-O 2.92Å; R123-D195 IonicContact NH2-OD1 2.66Å
124D97.9Very high97.3Very high78 Ų7850.2 Ų50.242%0.41726%0.261SS..Hα-helixtrans-61.2-44.3174.8-64.2-23.1000111.2R120 I126 L127 E128R120-D124 VanDerWaalsContact O-CG 3.32Å; R120-D124 PolarHBondContact O-N 3.38Å; D124-I126 VanDerWaalsContact C-N 3.26Å; D124-I126 PolarHBondContact O-N 3.27Å; D124-L127 WeakPolarHBondContact O-CB 3.31Å; D124-L127 PolarHBondContact O-N 2.85Å; D124-L127 VanDerWaalsContact O-N 3.11Å; D124-E128 WeakPolarHBondContact O-CG 3.43Å; D124-E128 PolarHBondContact O-N 2.95Å
125T97.5Very high97.2Very high67 Ų6750.7 Ų50.741%0.41126%0.263SS..Hα-helixtrans-57.6-39.4173.8-53.40000112.1E121 R122 R123 F129E121-T125 PolarHBondContact O-N 2.93Å; E121-T125 VanDerWaalsContact O-N 3.11Å; E121-T125 PolarHBondContact O-OG1 3.47Å; R122-T125 WeakPolarHBondContact O-CB 3.27Å; R122-T125 PolarHBondContact O-N 3.48Å; R123-T125 PolarHBondContact O-N 2.87Å; T125-F129 WeakPolarHBondContact O-CB 3.22Å; T125-F129 PolarHBondContact O-N 3.44Å; T125-F129 VanDerWaalsContact O-N 3.1Å
126I98.2Very high97.3Very high1 Ų152.5 Ų52.51%0.00527%0.268CS..Hα-helixtrans-73.1-35.6178.8-64.2163.8000111L26 V28 L96 F113 R122 R123 D124 F129 A130L26-I126 HydrophobicContact CD2-CG2 3.76Å; V28-I126 HydrophobicContact CG1-CD1 3.96Å; V28-I126 HydrophobicContact CG1-CG2 4.47Å; V28-I126 HydrophobicContact CG2-CG2 3.66Å; L96-I126 HydrophobicContact CD1-CG1 4.48Å; F113-I126 HydrophobicContact CD1-CD1 4.05Å; F113-I126 HydrophobicContact CE1-CD1 3.75Å; F113-I126 HydrophobicContact CE1-CG1 4.45Å; R122-I126 HydrophobicContact CG-CD1 4.09Å; R122-I126 WeakPolarHBondContact O-CG1 3.17Å; R122-I126 PolarHBondContact O-N 3.01Å; R123-I126 PolarHBondContact O-N 3.39Å; R123-I126 VanDerWaalsContact O-N 3.11Å; D124-I126 VanDerWaalsContact C-N 3.26Å; D124-I126 PolarHBondContact O-N 3.27Å; I126-F129 PolarHBondContact O-N 3Å; I126-A130 WeakPolarHBondContact O-CB 3.41Å; I126-A130 PolarHBondContact O-N 2.81Å
127L98.2Very high97.4Very high42 Ų4251.7 Ų51.722%0.2227%0.265CS..Hα-helixtrans-64.6-47.2174.4-75.6167.5000111.5R123 D124 F129 A130 E131 A137 F139 L198R123-L127 WeakPolarHBondContact O-CG 3.38Å; R123-L127 PolarHBondContact O-N 2.92Å; D124-L127 WeakPolarHBondContact O-CB 3.31Å; D124-L127 PolarHBondContact O-N 2.85Å; D124-L127 VanDerWaalsContact O-N 3.11Å; L127-F129 VanDerWaalsContact C-N 3.3Å; L127-F129 PolarHBondContact O-N 2.79Å; L127-A130 PolarHBondContact O-N 2.87Å; L127-A130 VanDerWaalsContact O-N 3.12Å; L127-E131 WeakPolarHBondContact O-CB 3Å; L127-E131 PolarHBondContact O-N 3.31Å; L127-A137 HydrophobicContact CD2-CB 3.68Å; L127-F139 HydrophobicContact CD1-CE2 4.48Å; L127-F139 HydrophobicContact CD1-CZ 4.19Å; L127-F139 HydrophobicContact CD2-CE2 3.9Å; L127-F139 HydrophobicContact CD2-CZ 3.92Å; L127-F139 HydrophobicContact CG-CE2 4.33Å; L127-F139 HydrophobicContact CG-CZ 3.9Å; L127-L198 HydrophobicContact CD1-CD1 4.25Å; L127-L198 HydrophobicContact CD1-CD2 3.68Å; L127-L198 HydrophobicContact CD2-CD2 4.28Å
128E98.2Very high97.4Very high110 Ų11051.7 Ų51.751%0.51427%0.265SS..Hα-helixtrans-57.8-44.3174.2-72.6177.4-17600111D124 E131 Q132D124-E128 WeakPolarHBondContact O-CG 3.43Å; D124-E128 PolarHBondContact O-N 2.95Å; E128-E131 PolarHBondContact O-N 3.43Å; E128-Q132 WeakPolarHBondContact O-CB 3.38Å; E128-Q132 WeakPolarHBondContact O-CG 3.2Å; E128-Q132 PolarHBondContact O-N 3.48Å
129F98.3Very high97.5Very high25 Ų2551.4 Ų51.411%0.1126%0.263CS..Hα-helixtrans-59.8-45.7173.9168.3-90.1000112L26 L96 V99 R100 T125 I126 L127 N133 F135L26-F129 HydrophobicContact CD2-CD1 4.08Å; L26-F129 HydrophobicContact CD2-CE1 4.16Å; L96-F129 HydrophobicContact CB-CD2 4.22Å; L96-F129 HydrophobicContact CB-CE1 4.38Å; L96-F129 HydrophobicContact CB-CE2 3.93Å; L96-F129 HydrophobicContact CB-CZ 4.02Å; L96-F129 HydrophobicContact CD1-CG 4.3Å; L96-F129 HydrophobicContact CD2-CD1 3.82Å; L96-F129 HydrophobicContact CD2-CE1 3.83Å; L96-F129 HydrophobicContact CD2-CG 4.32Å; L96-F129 HydrophobicContact CD2-CZ 4.32Å; L96-F129 WeakPolarHBondContact O-CZ 3.39Å; V99-F129 HydrophobicContact CG1-CE1 4.05Å; V99-F129 HydrophobicContact CG1-CZ 4.32Å; R100-F129 HydrophobicContact CB-CE2 4.25Å; R100-F129 HydrophobicContact CB-CZ 3.92Å; T125-F129 WeakPolarHBondContact O-CB 3.22Å; T125-F129 PolarHBondContact O-N 3.44Å; T125-F129 VanDerWaalsContact O-N 3.1Å; I126-F129 PolarHBondContact O-N 3Å; L127-F129 VanDerWaalsContact C-N 3.3Å; L127-F129 PolarHBondContact O-N 2.79Å; F129-N133 PolarHBondContact O-N 3.05Å; F129-N133 PolarHBondContact O-ND2 2.79Å; F129-F135 HydrophobicContact CE1-CD2 4.02Å; F129-F135 AromaticContact CE1-CE2 3.86Å; F129-F135 HydrophobicContact CE1-CE2 3.86Å; F129-F135 HydrophobicContact CZ-CE2 4.06Å
130A97.8Very high97.6Very high3 Ų349.9 Ų49.93%0.02525%0.254CS..Hα-helixtrans-63.1-45.2179.200000111.3L26 I126 L127 N133 G134 F135 A137L26-A130 HydrophobicContact CD2-CB 4.36Å; I126-A130 WeakPolarHBondContact O-CB 3.41Å; I126-A130 PolarHBondContact O-N 2.81Å; L127-A130 PolarHBondContact O-N 2.87Å; L127-A130 VanDerWaalsContact O-N 3.12Å; A130-N133 CarbonylContact O-C 3.24Å; A130-N133 PolarHBondContact O-N 3Å; A130-G134 PolarHBondContact O-N 2.93Å; A130-F135 HydrophobicContact CB-CB 4.18Å; A130-F135 PolarHBondContact O-N 2.7Å; A130-A137 HydrophobicContact CB-CB 4.35Å
131E96.7Very high97.7Very high163 Ų16346.9 Ų46.976%0.76224%0.243SC*.Hα-helixtrans-61.5-48.2178.6-174.9176.5-167.600111.8L127 E128 N133 G134L127-E131 WeakPolarHBondContact O-CB 3Å; L127-E131 PolarHBondContact O-N 3.31Å; E128-E131 PolarHBondContact O-N 3.43Å; E131-N133 PolarHBondContact O-N 3.08Å; E131-N133 VanDerWaalsContact O-N 3.16Å; E131-G134 PolarHBondContact O-N 3.42Å; E131-G134 VanDerWaalsContact O-N 3.07Å
132Q97.6Very high97.7Very high152 Ų15242.1 Ų42.171%0.7122%0.222SC*.Hα-helixtrans-59.6-28179.2-74.1170.415.900113.4E128E128-Q132 WeakPolarHBondContact O-CB 3.38Å; E128-Q132 WeakPolarHBondContact O-CG 3.2Å; E128-Q132 PolarHBondContact O-N 3.48Å
133N97.2Very high97.6Very high46 Ų4640.8 Ų40.825%0.24622%0.219CC..THydrogen-bonded Turntrans-1032.6-179.8-65.4-83.7000113.2R100 F129 A130 E131 F135R100-N133 WeakPolarHBondContact CD-OD1 3.5Å; R100-N133 WeakPolarHBondContact CG-OD1 3.48Å; F129-N133 PolarHBondContact O-N 3.05Å; F129-N133 PolarHBondContact O-ND2 2.79Å; A130-N133 CarbonylContact O-C 3.24Å; A130-N133 PolarHBondContact O-N 3Å; E131-N133 PolarHBondContact O-N 3.08Å; E131-N133 VanDerWaalsContact O-N 3.16Å; N133-F135 VanDerWaalsContact C-N 3.34Å; N133-F135 HydrophobicContact CB-CD1 4.25Å; N133-F135 HydrophobicContact CB-CD2 3.72Å; N133-F135 HydrophobicContact CB-CE1 3.9Å; N133-F135 HydrophobicContact CB-CE2 3.34Å; N133-F135 HydrophobicContact CB-CG 4.16Å; N133-F135 HydrophobicContact CB-CZ 3.44Å; N133-F135 VanDerWaalsContact CB-CZ 3.44Å; N133-F135 WeakPolarHBondContact O-CD1 3.42Å; N133-F135 WeakPolarHBondContact O-CE1 3.38Å; N133-F135 PolarHBondContact O-N 2.76Å
134G96.4Very high97.3Very high51 Ų5141.1 Ų41.153%0.52622%0.221SC..THydrogen-bonded Turntrans69.627179.700000114.4A130 E131A130-G134 PolarHBondContact O-N 2.93Å; E131-G134 PolarHBondContact O-N 3.42Å; E131-G134 VanDerWaalsContact O-N 3.07Å
135F97.3Very high96.8Very high15 Ų1545 Ų457%0.06624%0.237CC..PPolyproline II helixtrans-91.4147.5175.9-50.6-32.1000111P24 R100 L103 T104 F129 A130 N133P24-F135 HydrophobicContact CB-CD1 4.03Å; P24-F135 HydrophobicContact CB-CE1 4.46Å; P24-F135 HydrophobicContact CG-CD1 4.29Å; P24-F135 HydrophobicContact CG-CE1 4.49Å; P24-F135 WeakPolarHBondContact O-CA 3.18Å; R100-F135 HydrophobicContact CG-CZ 4.47Å; L103-F135 HydrophobicContact CB-CD1 4.48Å; L103-F135 HydrophobicContact CB-CE1 3.79Å; L103-F135 HydrophobicContact CB-CZ 3.81Å; L103-F135 HydrophobicContact CD1-CD1 4.12Å; L103-F135 HydrophobicContact CD1-CD2 4.02Å; L103-F135 HydrophobicContact CD1-CE1 4.12Å; L103-F135 HydrophobicContact CD1-CE2 4.01Å; L103-F135 HydrophobicContact CD1-CG 4.08Å; L103-F135 HydrophobicContact CD1-CZ 4.06Å; T104-F135 HydrophobicContact CG2-CE1 3.82Å; T104-F135 HydrophobicContact CG2-CZ 3.75Å; F129-F135 HydrophobicContact CE1-CD2 4.02Å; F129-F135 AromaticContact CE1-CE2 3.86Å; F129-F135 HydrophobicContact CE1-CE2 3.86Å; F129-F135 HydrophobicContact CZ-CE2 4.06Å; A130-F135 HydrophobicContact CB-CB 4.18Å; A130-F135 PolarHBondContact O-N 2.7Å; N133-F135 VanDerWaalsContact C-N 3.34Å; N133-F135 HydrophobicContact CB-CD1 4.25Å; N133-F135 HydrophobicContact CB-CD2 3.72Å; N133-F135 HydrophobicContact CB-CE1 3.9Å; N133-F135 HydrophobicContact CB-CE2 3.34Å; N133-F135 HydrophobicContact CB-CG 4.16Å; N133-F135 HydrophobicContact CB-CZ 3.44Å; N133-F135 VanDerWaalsContact CB-CZ 3.44Å; N133-F135 WeakPolarHBondContact O-CD1 3.42Å; N133-F135 WeakPolarHBondContact O-CE1 3.38Å; N133-F135 PolarHBondContact O-N 2.76Å
136K97.4Very high96.3Very high51 Ų5145.1 Ų45.122%0.22224%0.235CC..EExtended strand (participates in β ladder)trans-82136.9166.2-64.4-179.4-175.5-176.40109.4C23 P24 T25 L26 D217C23-K136 HydrophobicContact CB-CD 4.4Å; C23-K136 HydrophobicContact CB-CG 4.16Å; P24-K136 PolarHBondContact O-N 3.28Å; T25-K136 CarbonylContact C-O 3.56Å; T25-K136 WeakPolarHBondContact CA-O 3.37Å; L26-K136 PolarHBondContact N-O 2.9Å; K136-D217 VanDerWaalsContact CD-OD2 3.29Å; K136-D217 WeakPolarHBondContact CD-OD2 3.38Å; K136-D217 IonicContact NZ-OD2 3.73Å; K136-D217 PolarHBondContact NZ-OD2 3.18Å
137A97.9Very high95.7Very high16 Ų1649.7 Ų49.713%0.13227%0.265CS..EExtended strand (participates in β ladder)trans-97.9137.817200000111.1L26 L127 A130 F139L26-A137 WeakPolarHBondContact O-CA 3.15Å; L127-A137 HydrophobicContact CD2-CB 3.68Å; A130-A137 HydrophobicContact CB-CB 4.35Å; A137-F139 HydrophobicContact CB-CE2 4.35Å
138F98.6Very high95.2Very high0 Ų054.5 Ų54.50%029%0.286CS..EExtended strand (participates in β ladder)trans-137118.9172.3-174.7-105.4000110.1T25 L26 I27 V28 V140 S199 I201 Q220 I223 V224T25-F138 HydrophobicContact CG2-CB 4.24Å; L26-F138 PolarHBondContact O-N 3.32Å; I27-F138 CarbonylContact C-O 3.57Å; I27-F138 VanDerWaalsContact CA-O 3.26Å; I27-F138 WeakPolarHBondContact CA-O 3.42Å; V28-F138 PolarHBondContact N-O 3.15Å; F138-V140 HydrophobicContact CD1-CG2 4.03Å; F138-V140 HydrophobicContact CE1-CG2 3.9Å; F138-S199 WeakPolarHBondContact CA-O 3.29Å; F138-I201 HydrophobicContact CE1-CG2 3.71Å; F138-I201 HydrophobicContact CZ-CB 4.09Å; F138-I201 HydrophobicContact CZ-CG2 3.75Å; F138-Q220 HydrophobicContact CB-CG 4.24Å; F138-Q220 HydrophobicContact CD2-CB 4.18Å; F138-Q220 HydrophobicContact CD2-CG 3.82Å; F138-Q220 HydrophobicContact CE2-CB 4.28Å; F138-Q220 HydrophobicContact CE2-CG 4.42Å; F138-Q220 HydrophobicContact CG-CG 4.04Å; F138-I223 HydrophobicContact CD1-CG2 4.18Å; F138-I223 HydrophobicContact CE1-CB 4.44Å; F138-I223 HydrophobicContact CE1-CG2 3.71Å; F138-V224 HydrophobicContact CE2-CG2 4.43Å; F138-V224 HydrophobicContact CZ-CG2 3.69Å
139F98.8Very high94.5Very high1 Ų150.4 Ų50.40%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-91.6138.9-177.3-59.9-95.4000112.1V28 V30 R123 L127 A137 L190 L198 S199 F200 I201V28-F139 HydrophobicContact CB-CD1 3.6Å; V28-F139 HydrophobicContact CB-CE1 3.8Å; V28-F139 HydrophobicContact CB-CG 4.38Å; V28-F139 HydrophobicContact CG1-CD1 3.77Å; V28-F139 HydrophobicContact CG1-CE1 3.76Å; V28-F139 HydrophobicContact CG2-CD1 4.37Å; V28-F139 HydrophobicContact CG2-CE1 4.17Å; V28-F139 WeakPolarHBondContact O-CA 3.48Å; V30-F139 HydrophobicContact CG2-CB 4.4Å; V30-F139 HydrophobicContact CG2-CD1 3.82Å; R123-F139 HydrophobicContact CB-CE1 3.94Å; R123-F139 HydrophobicContact CB-CZ 4.26Å; R123-F139 HydrophobicContact CG-CD1 4.47Å; R123-F139 HydrophobicContact CG-CE1 3.87Å; L127-F139 HydrophobicContact CD1-CE2 4.48Å; L127-F139 HydrophobicContact CD1-CZ 4.19Å; L127-F139 HydrophobicContact CD2-CE2 3.9Å; L127-F139 HydrophobicContact CD2-CZ 3.92Å; L127-F139 HydrophobicContact CG-CE2 4.33Å; L127-F139 HydrophobicContact CG-CZ 3.9Å; A137-F139 HydrophobicContact CB-CE2 4.35Å; F139-L190 HydrophobicContact CB-CD1 3.69Å; F139-L190 HydrophobicContact CG-CD1 4.43Å; F139-L198 HydrophobicContact CD2-CD1 4.42Å; F139-L198 HydrophobicContact CE2-CB 4.48Å; F139-L198 HydrophobicContact CE2-CD1 3.98Å; F139-S199 PolarHBondContact N-O 3.28Å; F139-F200 HydrophobicContact CB-CB 3.78Å; F139-F200 CarbonylContact O-C 3.53Å; F139-F200 WeakPolarHBondContact O-CA 3.38Å; F139-F200 WeakPolarHBondContact O-CB 3.42Å; F139-I201 PolarHBondContact O-N 3.39Å
140V98.6Very high93.9Very high3 Ų349.9 Ų49.92%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-12198173.5-179.30000108I27 V28 T29 V30 I40 F138 I201 I203 L227I27-V140 HydrophobicContact CG2-CB 4.48Å; I27-V140 HydrophobicContact CG2-CG2 3.68Å; V28-V140 PolarHBondContact O-N 3.18Å; T29-V140 CarbonylContact C-O 3.55Å; T29-V140 WeakPolarHBondContact CA-O 3.14Å; V30-V140 PolarHBondContact N-O 3.21Å; I40-V140 HydrophobicContact CG2-CG1 4.03Å; F138-V140 HydrophobicContact CD1-CG2 4.03Å; F138-V140 HydrophobicContact CE1-CG2 3.9Å; V140-I201 WeakPolarHBondContact CA-O 3.18Å; V140-I201 HydrophobicContact CB-CG2 4.27Å; V140-I201 HydrophobicContact CG1-CG2 4.17Å; V140-I201 HydrophobicContact CG2-CG2 3.85Å; V140-I203 HydrophobicContact CG1-CD1 4.07Å; V140-L227 HydrophobicContact CG1-CD1 3.91Å; V140-L227 HydrophobicContact CG2-CD1 3.98Å
141E98.6Very high93.3Very high0 Ų055.5 Ų55.50%029%0.293CS..EExtended strand (participates in β ladder)trans-91.6130.8177.5-173.5176.7-140.700110.6V30 V143 Y187 T189 L190 I201 K202 I203V30-E141 HydrophobicContact CB-CB 3.92Å; V30-E141 HydrophobicContact CB-CG 4Å; V30-E141 HydrophobicContact CG1-CB 4.33Å; V30-E141 HydrophobicContact CG1-CG 3.92Å; V30-E141 VanDerWaalsContact O-CA 3.32Å; V30-E141 WeakPolarHBondContact O-CA 3.3Å; E141-V143 HydrophobicContact CG-CG2 3.8Å; E141-Y187 PolarHBondContact OE1-OH 3.34Å; E141-T189 WeakPolarHBondContact OE1-CA 3.31Å; E141-T189 VanDerWaalsContact OE1-CB 3.27Å; E141-T189 WeakPolarHBondContact OE1-CB 3.22Å; E141-L190 HydrophobicContact CB-CD1 3.82Å; E141-L190 HydrophobicContact CB-CG 4.49Å; E141-L190 PolarHBondContact OE1-N 2.91Å; E141-L190 VanDerWaalsContact OE1-N 3.13Å; E141-L190 WeakPolarHBondContact OE2-CB 3.48Å; E141-L190 PolarHBondContact OE2-N 3.46Å; E141-I201 PolarHBondContact N-O 3.31Å; E141-K202 HydrophobicContact CB-CB 4.35Å; E141-K202 HydrophobicContact CB-CG 4.27Å; E141-K202 HydrophobicContact CG-CG 4.34Å; E141-K202 WeakPolarHBondContact O-CA 3.45Å; E141-K202 WeakPolarHBondContact OE2-CD 3.31Å; E141-K202 WeakPolarHBondContact OE2-CE 3.41Å; E141-K202 WeakPolarHBondContact OE2-CG 3.27Å; E141-K202 IonicContact OE2-NZ 2.67Å; E141-I203 PolarHBondContact O-N 3.5Å
142S96.3Very high92.6Very high12 Ų1253.2 Ų53.28%0.08428%0.282CS..EExtended strand (participates in β ladder)trans-113.7116.9172.5-176.80000110.4V30 R35V30-S142 PolarHBondContact O-N 3.4Å; R35-S142 WeakPolarHBondContact O-CB 3.09Å; R35-S142 PolarHBondContact O-OG 2.95Å
143V95Very high91.9Very high20 Ų2047.2 Ų47.212%0.12125%0.254CS..EExtended strand (participates in β ladder)trans-117.1127.3-179.1-173.20000109.3E141 K202 I203 M204 D205E141-V143 HydrophobicContact CG-CG2 3.8Å; V143-K202 HydrophobicContact CG2-CD 4.46Å; V143-K202 HydrophobicContact CG2-CG 4.1Å; V143-I203 PolarHBondContact N-O 2.9Å; V143-M204 HydrophobicContact CB-CG 4.31Å; V143-M204 WeakPolarHBondContact O-CA 3.29Å; V143-D205 PolarHBondContact O-N 3.13Å
144C90.3Very high91.1Very high8 Ų845.1 Ų45.15%0.05424%0.243CC..  trans-147130.1170.9-177.40000108R35R35-C144 VanDerWaalsContact CZ-O 3.29Å; R35-C144 PolarHBondContact NE-O 2.8Å; R35-C144 PolarHBondContact NH2-O 3.12Å; R35-C144 VanDerWaalsContact NH2-O 3.13Å
145E86.9Confident90.3Very high158 Ų15846.1 Ų46.174%0.73824%0.239SC*.  trans-109.3-6.7177.5-64.6-176.4176.600112.1P147E145-P147 WeakPolarHBondContact O-CD 3.4Å
146D87.9Confident89.2Confident70 Ų7051.5 Ų51.537%0.37426%0.264SS..  trans-66.8112.1179.5-172.7-29.6000111.4E148 V149 I150D146-E148 VanDerWaalsContact C-N 3.28Å; D146-E148 PolarHBondContact O-N 2.91Å; D146-E148 WeakPolarHBondContact OD1-CB 3.34Å; D146-E148 PolarHBondContact OD1-N 2.77Å; D146-V149 HydrophobicContact CB-CB 4.1Å; D146-V149 HydrophobicContact CB-CG2 3.95Å; D146-V149 PolarHBondContact O-N 2.79Å; D146-V149 PolarHBondContact OD1-N 2.66Å; D146-I150 WeakPolarHBondContact O-CD1 3.49Å; D146-I150 WeakPolarHBondContact O-CG1 3.42Å; D146-I150 PolarHBondContact O-N 3.29Å; D146-I150 VanDerWaalsContact O-N 3.12Å
147P86.4Confident87.9Confident97 Ų9750.1 Ų50.163%0.6326%0.26SS*.Hα-helixtrans-59.9-33.8-178.3-2335000114E145 I150 Q151E145-P147 WeakPolarHBondContact O-CD 3.4Å; P147-I150 PolarHBondContact O-N 3.45Å; P147-Q151 WeakPolarHBondContact O-CB 3.43Å; P147-Q151 PolarHBondContact O-N 3.41Å
148E86.5Confident86.7Confident143 Ų14351.4 Ų51.467%0.66826%0.263SS*.Hα-helixtrans-69.2-48-177.5-63.3-174.7176.400109.9D146 I150 Q151 E152D146-E148 VanDerWaalsContact C-N 3.28Å; D146-E148 PolarHBondContact O-N 2.91Å; D146-E148 WeakPolarHBondContact OD1-CB 3.34Å; D146-E148 PolarHBondContact OD1-N 2.77Å; E148-I150 VanDerWaalsContact C-N 3.26Å; E148-I150 PolarHBondContact O-N 3.38Å; E148-Q151 PolarHBondContact O-N 3.43Å; E148-E152 WeakPolarHBondContact O-CG 3.41Å; E148-E152 PolarHBondContact O-N 3.23Å
149V84.7Confident85.2Confident24 Ų2453.3 Ų53.315%0.14527%0.273CS..Hα-helixtrans-58.7-40.4175.11730000111.4D146 N153 V206D146-V149 HydrophobicContact CB-CB 4.1Å; D146-V149 HydrophobicContact CB-CG2 3.95Å; D146-V149 PolarHBondContact O-N 2.79Å; D146-V149 PolarHBondContact OD1-N 2.66Å; V149-N153 WeakPolarHBondContact O-CB 3.43Å; V149-N153 PolarHBondContact O-N 3Å; V149-N153 PolarHBondContact O-ND2 3.13Å; V149-N153 VanDerWaalsContact O-ND2 3.11Å; V149-V206 HydrophobicContact CG1-CG2 3.65Å; V149-V206 HydrophobicContact CG2-CG2 4.2Å
150I85.3Confident83.8Confident14 Ų1456.7 Ų56.77%0.07231%0.308CS..Hα-helixtrans-65.4-46179.4-63.6161.8000110.2R35 D146 P147 E148 N153 I154 I180R35-I150 VanDerWaalsContact CZ-CG1 3.41Å; R35-I150 VanDerWaalsContact NH1-CG1 3.3Å; D146-I150 WeakPolarHBondContact O-CD1 3.49Å; D146-I150 WeakPolarHBondContact O-CG1 3.42Å; D146-I150 PolarHBondContact O-N 3.29Å; D146-I150 VanDerWaalsContact O-N 3.12Å; P147-I150 PolarHBondContact O-N 3.45Å; E148-I150 VanDerWaalsContact C-N 3.26Å; E148-I150 PolarHBondContact O-N 3.38Å; I150-N153 PolarHBondContact O-N 3.46Å; I150-I154 HydrophobicContact CG2-CD1 4.01Å; I150-I154 VanDerWaalsContact O-CG1 3.27Å; I150-I154 WeakPolarHBondContact O-CG1 3.47Å; I150-I154 PolarHBondContact O-N 3.06Å; I150-I180 HydrophobicContact CG2-CD1 4.19Å
151Q84.2Confident82.7Confident122 Ų12257.1 Ų57.157%0.5731%0.311SS*.Hα-helixtrans-62.4-45.9178.5-175.5171.8-1.100111.3P147 E148 N153 I154 V155P147-Q151 WeakPolarHBondContact O-CB 3.43Å; P147-Q151 PolarHBondContact O-N 3.41Å; E148-Q151 PolarHBondContact O-N 3.43Å; Q151-N153 VanDerWaalsContact C-N 3.34Å; Q151-N153 PolarHBondContact O-N 3.32Å; Q151-I154 PolarHBondContact O-N 3.05Å; Q151-V155 WeakPolarHBondContact O-CG2 3.32Å; Q151-V155 PolarHBondContact O-N 3.4Å
152E82.6Confident81.9Confident114 Ų11461.3 Ų61.353%0.53334%0.338SS..Hα-helixtrans-58.7-44.7175.2-74.2-172.6172.200112E148 I154 V155 Q156E148-E152 WeakPolarHBondContact O-CG 3.41Å; E148-E152 PolarHBondContact O-N 3.23Å; E152-I154 VanDerWaalsContact C-N 3.3Å; E152-I154 PolarHBondContact O-N 3.45Å; E152-V155 PolarHBondContact O-N 2.82Å; E152-Q156 WeakPolarHBondContact O-CB 3Å; E152-Q156 WeakPolarHBondContact O-CG 3.19Å; E152-Q156 PolarHBondContact O-N 3.25Å
153N82.2Confident81.2Confident26 Ų2661.3 Ų61.314%0.13934%0.337CS..Hα-helixtrans-61.5-37.4176.8-78-34.3000112.5A34 V149 I150 Q151 V157A34-N153 HydrophobicContact CB-CB 4.21Å; A34-N153 PolarHBondContact O-ND2 2.93Å; V149-N153 WeakPolarHBondContact O-CB 3.43Å; V149-N153 PolarHBondContact O-N 3Å; V149-N153 PolarHBondContact O-ND2 3.13Å; V149-N153 VanDerWaalsContact O-ND2 3.11Å; I150-N153 PolarHBondContact O-N 3.46Å; Q151-N153 VanDerWaalsContact C-N 3.34Å; Q151-N153 PolarHBondContact O-N 3.32Å; N153-V157 VanDerWaalsContact O-CB 3.25Å; N153-V157 WeakPolarHBondContact O-CB 3.43Å; N153-V157 PolarHBondContact O-N 3.07Å
154I82.3Confident80.7Confident2 Ų260.7 Ų60.71%0.0133%0.333CS..Hα-helixtrans-65-49.2175.5-66.9166.3000109.5A34 I150 Q151 E152 K158 L159 V173 F176 M177 I180A34-I154 HydrophobicContact CB-CG1 3.81Å; I150-I154 HydrophobicContact CG2-CD1 4.01Å; I150-I154 VanDerWaalsContact O-CG1 3.27Å; I150-I154 WeakPolarHBondContact O-CG1 3.47Å; I150-I154 PolarHBondContact O-N 3.06Å; Q151-I154 PolarHBondContact O-N 3.05Å; E152-I154 VanDerWaalsContact C-N 3.3Å; E152-I154 PolarHBondContact O-N 3.45Å; I154-K158 HydrophobicContact CG2-CB 4.43Å; I154-K158 WeakPolarHBondContact O-CA 3.41Å; I154-K158 WeakPolarHBondContact O-CB 3.39Å; I154-K158 PolarHBondContact O-N 3.11Å; I154-L159 PolarHBondContact O-N 3.15Å; I154-V173 HydrophobicContact CG2-CG2 3.96Å; I154-F176 HydrophobicContact CD1-CD1 3.77Å; I154-F176 HydrophobicContact CD1-CE1 4.39Å; I154-F176 HydrophobicContact CG1-CD1 3.62Å; I154-F176 HydrophobicContact CG1-CE1 3.95Å; I154-F176 HydrophobicContact CG1-CG 4.46Å; I154-F176 HydrophobicContact CG2-CB 4.41Å; I154-F176 HydrophobicContact CG2-CD1 4.4Å; I154-F176 HydrophobicContact CG2-CG 4.47Å; I154-M177 HydrophobicContact CD1-CG 4.36Å; I154-M177 HydrophobicContact CD1-SD 3.66Å; I154-I180 HydrophobicContact CD1-CD1 4.22Å
155V79.6Confident80.1Confident72 Ų7265 Ų6544%0.43636%0.359SS..Hα-helixtrans-63.6-50.8-177.3173.40000111.5Q151 E152 V157 L159Q151-V155 WeakPolarHBondContact O-CG2 3.32Å; Q151-V155 PolarHBondContact O-N 3.4Å; E152-V155 PolarHBondContact O-N 2.82Å; V155-V157 VanDerWaalsContact C-N 3.33Å; V155-V157 PolarHBondContact O-N 2.85Å; V155-L159 HydrophobicContact CB-CD1 4.18Å; V155-L159 HydrophobicContact CG1-CD1 4.02Å; V155-L159 HydrophobicContact CG2-CD1 4.22Å
156Q72.8Confident79.8Confident128 Ų12865 Ų6560%0.59836%0.364SS*.Hα-helixtrans-67.3-33-175.2-72.6-172.15.100113.3E152E152-Q156 WeakPolarHBondContact O-CB 3Å; E152-Q156 WeakPolarHBondContact O-CG 3.19Å; E152-Q156 PolarHBondContact O-N 3.25Å
157V71.4Confident79.4Confident23 Ų2364.3 Ų64.314%0.13936%0.364CS..Hα-helixtrans-121.3-27.7-161-1730000113.4N153 V155 A412 Y413N153-V157 VanDerWaalsContact O-CB 3.25Å; N153-V157 WeakPolarHBondContact O-CB 3.43Å; N153-V157 PolarHBondContact O-N 3.07Å; V155-V157 VanDerWaalsContact C-N 3.33Å; V155-V157 PolarHBondContact O-N 2.85Å; V157-A412 HydrophobicContact CG1-CB 4.48Å; V157-A412 HydrophobicContact CG2-CB 3.52Å; V157-Y413 HydrophobicContact CG1-CE1 4.01Å; V157-Y413 HydrophobicContact CG1-CE2 3.58Å; V157-Y413 WeakPolarHBondContact CG1-OH 3.48Å
158K71.3Confident79.3Confident43 Ų4363.3 Ų63.319%0.18735%0.354CS..THydrogen-bonded Turntrans-104.9-30.3-171.1-58.7-57.2-178.6-166.70113.6I154 G160 S161 Y164 F176I154-K158 HydrophobicContact CG2-CB 4.43Å; I154-K158 WeakPolarHBondContact O-CA 3.41Å; I154-K158 WeakPolarHBondContact O-CB 3.39Å; I154-K158 PolarHBondContact O-N 3.11Å; K158-G160 VanDerWaalsContact C-N 3.29Å; K158-G160 PolarHBondContact O-N 3.33Å; K158-S161 VanDerWaalsContact O-CB 3.26Å; K158-S161 WeakPolarHBondContact O-CB 3.3Å; K158-S161 PolarHBondContact O-N 3.03Å; K158-S161 PolarHBondContact O-OG 2.91Å; K158-Y164 WeakPolarHBondContact O-CD2 3.38Å; K158-F176 HydrophobicContact CB-CD2 4.31Å; K158-F176 HydrophobicContact CB-CE2 4.2Å; K158-F176 HydrophobicContact CD-CE2 3.97Å; K158-F176 HydrophobicContact CD-CZ 4.13Å; K158-F176 HydrophobicContact CG-CD2 4.36Å; K158-F176 HydrophobicContact CG-CE1 4.4Å; K158-F176 HydrophobicContact CG-CE2 3.79Å; K158-F176 HydrophobicContact CG-CZ 3.8Å
159L68.2Low79.2Confident40 Ų4060.6 Ų60.621%0.20935%0.347CS..THydrogen-bonded Turntrans-63.7-35173.1-63.2179.9000112.8I154 V155 S161 T169 A172 V173I154-L159 PolarHBondContact O-N 3.15Å; V155-L159 HydrophobicContact CB-CD1 4.18Å; V155-L159 HydrophobicContact CG1-CD1 4.02Å; V155-L159 HydrophobicContact CG2-CD1 4.22Å; L159-S161 VanDerWaalsContact C-N 3.28Å; L159-S161 PolarHBondContact O-N 3.24Å; L159-T169 HydrophobicContact CD1-CG2 3.45Å; L159-T169 VanDerWaalsContact CD1-CG2 3.45Å; L159-T169 HydrophobicContact CD2-CG2 4.15Å; L159-T169 HydrophobicContact CG-CG2 4.45Å; L159-A172 HydrophobicContact CD2-CB 3.55Å; L159-V173 HydrophobicContact CD2-CG2 4.21Å
160G68Low79.2Confident72 Ų7267.2 Ų67.274%0.74238%0.376SS*.THydrogen-bonded Turntrans-83.75.3172.700000114.6K158K158-G160 VanDerWaalsContact C-N 3.29Å; K158-G160 PolarHBondContact O-N 3.33Å
161S76.8Confident79.3Confident11 Ų1171.8 Ų71.88%0.07740%0.397CS..SBendtrans-84153.6-177.378.80000112K158 L159 D163 Y164K158-S161 VanDerWaalsContact O-CB 3.26Å; K158-S161 WeakPolarHBondContact O-CB 3.3Å; K158-S161 PolarHBondContact O-N 3.03Å; K158-S161 PolarHBondContact O-OG 2.91Å; L159-S161 VanDerWaalsContact C-N 3.28Å; L159-S161 PolarHBondContact O-N 3.24Å; S161-D163 PolarHBondContact O-N 3Å; S161-Y164 PolarHBondContact O-N 3.42Å
162P80.8Confident79.4Confident88 Ų8866.1 Ų66.157%0.57137%0.371SS*.THydrogen-bonded Turntrans-59.6-17.8178.9-23.533.2000114.6Y164P162-Y164 VanDerWaalsContact C-N 3.25Å; P162-Y164 PolarHBondContact O-N 2.79Å
163D81.8Confident79.5Confident12 Ų1262.3 Ų62.36%0.06436%0.356CS..THydrogen-bonded Turntrans-68.3-25.8177.1-68.73.1000111.2R64 R65 Y71 S161 R179R64-D163 IonicContact CZ-OD1 2.74Å; R64-D163 IonicContact CZ-OD2 3.78Å; R64-D163 IonicContact NH1-OD2 3.58Å; R64-D163 IonicContact NH2-OD1 2.75Å; R64-D163 PolarHBondContact NH2-OD1 2.98Å; R64-D163 IonicContact NH2-OD2 3.55Å; R64-D163 PolarHBondContact NH2-OD2 2.91Å; R65-D163 VanDerWaalsContact CD-OD1 3.31Å; R65-D163 WeakPolarHBondContact CD-OD1 3.33Å; R65-D163 WeakPolarHBondContact CG-OD1 3.45Å; R65-D163 IonicContact NH1-OD1 3.63Å; Y71-D163 HydrophobicContact CD1-CB 4Å; Y71-D163 VanDerWaalsContact CD1-O 3.22Å; Y71-D163 WeakPolarHBondContact CD1-O 3.46Å; Y71-D163 HydrophobicContact CG-CB 4.16Å; S161-D163 PolarHBondContact O-N 3Å; D163-R179 IonicContact OD2-CZ 3.45Å; D163-R179 IonicContact OD2-NH1 2.66Å; D163-R179 PolarHBondContact OD2-NH1 3.36Å
164Y84.4Confident79.9Confident7 Ų766.2 Ų66.23%0.02737%0.373CS..SBendtrans-126.916.5-169.7-62.3-76000114.4Y71 K158 S161 P162 N166 C167 A172 D175 F176Y71-Y164 HydrophobicContact CD1-CE1 4.42Å; Y71-Y164 AromaticContact CE1-CE1 3.75Å; Y71-Y164 HydrophobicContact CE1-CE1 3.75Å; Y71-Y164 AromaticContact CE1-CZ 3.79Å; Y71-Y164 PolarHBondContact OH-OH 2.76Å; K158-Y164 WeakPolarHBondContact O-CD2 3.38Å; S161-Y164 PolarHBondContact O-N 3.42Å; P162-Y164 VanDerWaalsContact C-N 3.25Å; P162-Y164 PolarHBondContact O-N 2.79Å; Y164-N166 PolarHBondContact O-N 3.38Å; Y164-C167 HydrophobicContact CD1-CB 4.35Å; Y164-C167 PolarHBondContact O-N 3.26Å; Y164-C167 VanDerWaalsContact O-N 3.09Å; Y164-A172 HydrophobicContact CD1-CB 3.5Å; Y164-A172 HydrophobicContact CE1-CB 4.2Å; Y164-A172 HydrophobicContact CG-CB 3.8Å; Y164-D175 HydrophobicContact CE1-CB 4.06Å; Y164-D175 VanDerWaalsContact CE1-OD2 3.27Å; Y164-D175 WeakPolarHBondContact CE1-OD2 3.24Å; Y164-D175 PolarHBondContact OH-OD2 2.93Å; Y164-F176 AromaticContact CE2-CD2 3.69Å; Y164-F176 HydrophobicContact CE2-CD2 3.69Å; Y164-F176 HydrophobicContact CE2-CE2 4.4Å; Y164-F176 AromaticContact CZ-CD2 3.9Å; Y164-F176 WeakPolarHBondContact OH-CD2 3.46Å
165T78.9Confident80.3Confident98 Ų9867.1 Ų67.160%0.60138%0.378SS*.THydrogen-bonded Turntrans-58.3-25.5-174.539.70000115
166N79.5Confident80.8Confident158 Ų15863.8 Ų63.885%0.84536%0.357SS*.THydrogen-bonded Turntrans-1117.3-178.6-60.6-32.3000113.2Y164Y164-N166 PolarHBondContact O-N 3.38Å
167C79.8Confident81.6Confident56 Ų5661.6 Ų61.638%0.37835%0.348SS..SBendtrans-100.2146.9179.6-62.40000109.7Y164 A172Y164-C167 HydrophobicContact CD1-CB 4.35Å; Y164-C167 PolarHBondContact O-N 3.26Å; Y164-C167 VanDerWaalsContact O-N 3.09Å; C167-A172 HydrophobicContact CB-CB 4.16Å
168N84.9Confident82.6Confident77 Ų7764.1 Ų64.141%0.41236%0.357SS..  trans-71.4160.9168.369.850.6000110.3E170 E171 A172N168-E170 VanDerWaalsContact C-N 3.31Å; N168-E170 PolarHBondContact O-N 3.32Å; N168-E170 PolarHBondContact OD1-N 3.17Å; N168-E171 PolarHBondContact ND2-OE1 3.41Å; N168-E171 PolarHBondContact ND2-OE2 3.43Å; N168-E171 PolarHBondContact O-N 3.18Å; N168-E171 WeakPolarHBondContact OD1-CB 3.47Å; N168-E171 VanDerWaalsContact OD1-CG 3.3Å; N168-E171 WeakPolarHBondContact OD1-CG 3.4Å; N168-E171 PolarHBondContact OD1-N 3.35Å; N168-A172 WeakPolarHBondContact O-CB 3.47Å; N168-A172 PolarHBondContact O-N 2.71Å
169T83.3Confident83.6Confident85 Ų8563.4 Ų63.452%0.52135%0.353SS..Hα-helixtrans-57.7-41.6-175-62.40000113L159 V173L159-T169 HydrophobicContact CD1-CG2 3.45Å; L159-T169 VanDerWaalsContact CD1-CG2 3.45Å; L159-T169 HydrophobicContact CD2-CG2 4.15Å; L159-T169 HydrophobicContact CG-CG2 4.45Å; T169-V173 VanDerWaalsContact O-CG2 3.24Å; T169-V173 WeakPolarHBondContact O-CG2 3.31Å; T169-V173 PolarHBondContact O-N 3.44Å
170E85.5Confident84.8Confident164 Ų16461.7 Ų61.777%0.76634%0.344SS*.Hα-helixtrans-68.9-47.2-176-66.7177.3-175.500111.3N168 A172 V173 E174N168-E170 VanDerWaalsContact C-N 3.31Å; N168-E170 PolarHBondContact O-N 3.32Å; N168-E170 PolarHBondContact OD1-N 3.17Å; E170-A172 PolarHBondContact O-N 3.29Å; E170-V173 PolarHBondContact O-N 2.68Å; E170-E174 PolarHBondContact O-N 2.66Å
171E86.4Confident86Confident110 Ų11064.1 Ų64.151%0.51434%0.335SS..Hα-helixtrans-61.2-42.6175.6-73.8168.8-165.700111.8N168 E174 D175N168-E171 PolarHBondContact ND2-OE1 3.41Å; N168-E171 PolarHBondContact ND2-OE2 3.43Å; N168-E171 PolarHBondContact O-N 3.18Å; N168-E171 WeakPolarHBondContact OD1-CB 3.47Å; N168-E171 VanDerWaalsContact OD1-CG 3.3Å; N168-E171 WeakPolarHBondContact OD1-CG 3.4Å; N168-E171 PolarHBondContact OD1-N 3.35Å; E171-E174 PolarHBondContact O-N 2.99Å; E171-D175 WeakPolarHBondContact O-CB 3.48Å; E171-D175 PolarHBondContact O-N 3.5Å
172A86.2Confident86.7Confident2 Ų264.2 Ų64.22%0.01734%0.335CS..Hα-helixtrans-64-41.5178.400000111.9L159 Y164 C167 N168 E170 F176L159-A172 HydrophobicContact CD2-CB 3.55Å; Y164-A172 HydrophobicContact CD1-CB 3.5Å; Y164-A172 HydrophobicContact CE1-CB 4.2Å; Y164-A172 HydrophobicContact CG-CB 3.8Å; C167-A172 HydrophobicContact CB-CB 4.16Å; N168-A172 WeakPolarHBondContact O-CB 3.47Å; N168-A172 PolarHBondContact O-N 2.71Å; E170-A172 PolarHBondContact O-N 3.29Å; A172-F176 VanDerWaalsContact O-CB 3.22Å; A172-F176 WeakPolarHBondContact O-CB 3.4Å; A172-F176 PolarHBondContact O-N 3.27Å
173V86.3Confident87.3Confident35 Ų3561 Ų6121%0.21231%0.311CS..Hα-helixtrans-64.2-45.8174.4171.60000110.5I154 L159 T169 E170 F176 M177I154-V173 HydrophobicContact CG2-CG2 3.96Å; L159-V173 HydrophobicContact CD2-CG2 4.21Å; T169-V173 VanDerWaalsContact O-CG2 3.24Å; T169-V173 WeakPolarHBondContact O-CG2 3.31Å; T169-V173 PolarHBondContact O-N 3.44Å; E170-V173 PolarHBondContact O-N 2.68Å; V173-F176 PolarHBondContact O-N 3.02Å; V173-M177 HydrophobicContact CG1-CG 4.36Å; V173-M177 WeakPolarHBondContact O-CB 3.21Å; V173-M177 VanDerWaalsContact O-CG 3.27Å; V173-M177 WeakPolarHBondContact O-CG 3.26Å; V173-M177 PolarHBondContact O-N 2.71Å
174E89.4Confident87.8Confident108 Ų10864.7 Ų64.751%0.50533%0.329SS..Hα-helixtrans-62-48.6-179.6-168-171160.900112E170 E171 F176 M177 K178E170-E174 PolarHBondContact O-N 2.66Å; E171-E174 PolarHBondContact O-N 2.99Å; E174-F176 VanDerWaalsContact C-N 3.33Å; E174-F176 PolarHBondContact O-N 3.13Å; E174-M177 PolarHBondContact O-N 3.11Å; E174-K178 WeakPolarHBondContact O-CG 3.5Å; E174-K178 PolarHBondContact O-N 2.67Å; E174-K178 WeakPolarHBondContact OE1-CE 3.45Å; E174-K178 IonicContact OE1-NZ 3.49Å; E174-K178 PolarHBondContact OE1-NZ 3.17Å
175D91Very high87.8Confident20 Ų2071.3 Ų71.311%0.10736%0.364CS..Hα-helixtrans-58.7-45.4175.4178.578.6000111.2Y71 S73 F74 Y164 E171 M177 K178 R179Y71-D175 WeakPolarHBondContact CE1-OD2 3.43Å; Y71-D175 PolarHBondContact OH-OD2 3.43Å; S73-D175 WeakPolarHBondContact CA-OD1 3.44Å; F74-D175 WeakPolarHBondContact CB-OD1 3.13Å; F74-D175 WeakPolarHBondContact CD1-OD1 3.06Å; F74-D175 PolarHBondContact N-OD1 3.23Å; Y164-D175 HydrophobicContact CE1-CB 4.06Å; Y164-D175 VanDerWaalsContact CE1-OD2 3.27Å; Y164-D175 WeakPolarHBondContact CE1-OD2 3.24Å; Y164-D175 PolarHBondContact OH-OD2 2.93Å; E171-D175 WeakPolarHBondContact O-CB 3.48Å; E171-D175 PolarHBondContact O-N 3.5Å; D175-M177 VanDerWaalsContact C-N 3.33Å; D175-M177 PolarHBondContact O-N 2.69Å; D175-K178 PolarHBondContact O-N 3.47Å; D175-R179 WeakPolarHBondContact O-CB 3.43Å; D175-R179 PolarHBondContact O-N 3.24Å
176F90.3Very high88.4Confident2 Ų268.7 Ų68.71%0.00935%0.35CS..Hα-helixtrans-65.7-36.8-179.2-160.3-87.1000112.4P33 A34 I154 K158 Y164 A172 V173 E174 R179 I180P33-F176 HydrophobicContact CB-CE1 3.8Å; P33-F176 HydrophobicContact CB-CZ 3.61Å; A34-F176 HydrophobicContact CB-CE1 3.56Å; A34-F176 HydrophobicContact CB-CZ 4.15Å; I154-F176 HydrophobicContact CD1-CD1 3.77Å; I154-F176 HydrophobicContact CD1-CE1 4.39Å; I154-F176 HydrophobicContact CG1-CD1 3.62Å; I154-F176 HydrophobicContact CG1-CE1 3.95Å; I154-F176 HydrophobicContact CG1-CG 4.46Å; I154-F176 HydrophobicContact CG2-CB 4.41Å; I154-F176 HydrophobicContact CG2-CD1 4.4Å; I154-F176 HydrophobicContact CG2-CG 4.47Å; K158-F176 HydrophobicContact CB-CD2 4.31Å; K158-F176 HydrophobicContact CB-CE2 4.2Å; K158-F176 HydrophobicContact CD-CE2 3.97Å; K158-F176 HydrophobicContact CD-CZ 4.13Å; K158-F176 HydrophobicContact CG-CD2 4.36Å; K158-F176 HydrophobicContact CG-CE1 4.4Å; K158-F176 HydrophobicContact CG-CE2 3.79Å; K158-F176 HydrophobicContact CG-CZ 3.8Å; Y164-F176 AromaticContact CE2-CD2 3.69Å; Y164-F176 HydrophobicContact CE2-CD2 3.69Å; Y164-F176 HydrophobicContact CE2-CE2 4.4Å; Y164-F176 AromaticContact CZ-CD2 3.9Å; Y164-F176 WeakPolarHBondContact OH-CD2 3.46Å; A172-F176 VanDerWaalsContact O-CB 3.22Å; A172-F176 WeakPolarHBondContact O-CB 3.4Å; A172-F176 PolarHBondContact O-N 3.27Å; V173-F176 PolarHBondContact O-N 3.02Å; E174-F176 VanDerWaalsContact C-N 3.33Å; E174-F176 PolarHBondContact O-N 3.13Å; F176-R179 WeakPolarHBondContact O-CB 3.46Å; F176-R179 PolarHBondContact O-N 2.62Å; F176-I180 HydrophobicContact CD1-CD1 3.84Å; F176-I180 HydrophobicContact CD1-CG1 4.1Å; F176-I180 HydrophobicContact CE1-CD1 3.85Å; F176-I180 HydrophobicContact CE1-CG1 3.98Å; F176-I180 WeakPolarHBondContact O-CG1 3.45Å; F176-I180 PolarHBondContact O-N 3.1Å
177M90Very high89.1Confident83 Ų8363.5 Ų63.541%0.40932%0.319SS..Hα-helixtrans-65.3-41.4174.2-72.4-61.6-71.700111.6I154 V173 E174 D175 R179 I180 K181I154-M177 HydrophobicContact CD1-CG 4.36Å; I154-M177 HydrophobicContact CD1-SD 3.66Å; V173-M177 HydrophobicContact CG1-CG 4.36Å; V173-M177 WeakPolarHBondContact O-CB 3.21Å; V173-M177 VanDerWaalsContact O-CG 3.27Å; V173-M177 WeakPolarHBondContact O-CG 3.26Å; V173-M177 PolarHBondContact O-N 2.71Å; E174-M177 PolarHBondContact O-N 3.11Å; D175-M177 VanDerWaalsContact C-N 3.33Å; D175-M177 PolarHBondContact O-N 2.69Å; M177-R179 VanDerWaalsContact C-N 3.32Å; M177-R179 PolarHBondContact O-N 2.87Å; M177-I180 PolarHBondContact O-N 3.2Å; M177-I180 HydrophobicContact SD-CD1 4.08Å; M177-K181 PolarHBondContact O-N 3.3Å
178K92.9Very high90Very high75 Ų7564 Ų6433%0.32632%0.316SS..Hα-helixtrans-63.6-39.5173-68.2173.6-172.9163.20111.5F74 E174 D175 I180 K181 C182F74-K178 HydrophobicContact CB-CB 4.13Å; F74-K178 HydrophobicContact CD1-CB 3.81Å; F74-K178 HydrophobicContact CD1-CD 3.78Å; F74-K178 HydrophobicContact CD1-CG 4.46Å; F74-K178 HydrophobicContact CD2-CB 3.63Å; F74-K178 HydrophobicContact CE1-CB 4.15Å; F74-K178 HydrophobicContact CE1-CD 3.45Å; F74-K178 VanDerWaalsContact CE1-CD 3.45Å; F74-K178 HydrophobicContact CE1-CG 4.42Å; F74-K178 HydrophobicContact CE2-CB 3.97Å; F74-K178 HydrophobicContact CE2-CD 4.33Å; F74-K178 HydrophobicContact CG-CB 3.54Å; F74-K178 HydrophobicContact CG-CD 4.38Å; F74-K178 HydrophobicContact CZ-CB 4.23Å; F74-K178 HydrophobicContact CZ-CD 3.76Å; F74-K178 HydrophobicContact CZ-CG 4.5Å; E174-K178 WeakPolarHBondContact O-CG 3.5Å; E174-K178 PolarHBondContact O-N 2.67Å; E174-K178 WeakPolarHBondContact OE1-CE 3.45Å; E174-K178 IonicContact OE1-NZ 3.49Å; E174-K178 PolarHBondContact OE1-NZ 3.17Å; D175-K178 PolarHBondContact O-N 3.47Å; K178-I180 PolarHBondContact O-N 3.37Å; K178-K181 WeakPolarHBondContact O-CB 3.45Å; K178-K181 PolarHBondContact O-N 3.12Å; K178-C182 PolarHBondContact O-N 3.28Å; K178-C182 VanDerWaalsContact O-N 3.15Å; K178-C182 PolarHBondContact O-SG 3.35Å; K178-C182 VanDerWaalsContact O-SG 3.38Å
179R92.4Very high90.6Very high28 Ų2862.6 Ų62.611%0.10631%0.31CS..Hα-helixtrans-59.8-41.5173.5172.8177.8-179.9-179.9-3.8112.1F74 F77 D163 D175 F176 M177 C182 Y183F74-R179 HydrophobicContact CB-CB 3.87Å; F77-R179 HydrophobicContact CB-CG 4.48Å; F77-R179 HydrophobicContact CD2-CB 4.21Å; F77-R179 HydrophobicContact CD2-CG 3.46Å; F77-R179 VanDerWaalsContact CD2-CG 3.46Å; F77-R179 HydrophobicContact CE2-CG 3.88Å; F77-R179 VanDerWaalsContact CE2-CZ 3.45Å; F77-R179 HydrophobicContact CG-CG 4.05Å; D163-R179 IonicContact OD2-CZ 3.45Å; D163-R179 IonicContact OD2-NH1 2.66Å; D163-R179 PolarHBondContact OD2-NH1 3.36Å; D175-R179 WeakPolarHBondContact O-CB 3.43Å; D175-R179 PolarHBondContact O-N 3.24Å; F176-R179 WeakPolarHBondContact O-CB 3.46Å; F176-R179 PolarHBondContact O-N 2.62Å; M177-R179 VanDerWaalsContact C-N 3.32Å; M177-R179 PolarHBondContact O-N 2.87Å; R179-C182 WeakPolarHBondContact O-CB 3.25Å; R179-C182 PolarHBondContact O-N 3.07Å; R179-Y183 HydrophobicContact CG-CE2 4.21Å; R179-Y183 WeakPolarHBondContact O-CD2 3.45Å
180I92.4Very high91.3Very high4 Ų458.6 Ų58.62%0.02129%0.286CS..Hα-helixtrans-59.3-48174.5-70.1167.3000110.1P33 I150 I154 F176 M177 K178 C182 Y183 E184P33-I180 HydrophobicContact CB-CG1 3.94Å; P33-I180 HydrophobicContact CG-CG1 4.27Å; I150-I180 HydrophobicContact CG2-CD1 4.19Å; I154-I180 HydrophobicContact CD1-CD1 4.22Å; F176-I180 HydrophobicContact CD1-CD1 3.84Å; F176-I180 HydrophobicContact CD1-CG1 4.1Å; F176-I180 HydrophobicContact CE1-CD1 3.85Å; F176-I180 HydrophobicContact CE1-CG1 3.98Å; F176-I180 WeakPolarHBondContact O-CG1 3.45Å; F176-I180 PolarHBondContact O-N 3.1Å; M177-I180 PolarHBondContact O-N 3.2Å; M177-I180 HydrophobicContact SD-CD1 4.08Å; K178-I180 PolarHBondContact O-N 3.37Å; I180-C182 PolarHBondContact O-N 3.25Å; I180-Y183 PolarHBondContact O-N 3.31Å; I180-E184 HydrophobicContact CG2-CG 4.17Å; I180-E184 WeakPolarHBondContact CG2-OE1 3.06Å; I180-E184 PolarHBondContact O-N 2.91Å
181K92.6Very high91.8Very high124 Ų12453.6 Ų53.654%0.53926%0.264SS..Hα-helixtrans-56.9-32.6178.6-68177178.5-1790113.5M177 K178 Y183 E184M177-K181 PolarHBondContact O-N 3.3Å; K178-K181 WeakPolarHBondContact O-CB 3.45Å; K178-K181 PolarHBondContact O-N 3.12Å; K181-Y183 PolarHBondContact O-N 3Å; K181-E184 WeakPolarHBondContact CA-OE2 3.3Å; K181-E184 PolarHBondContact O-N 3.45Å
182C92.9Very high92.1Very high13 Ų1354.4 Ų54.49%0.08827%0.268CS..Hα-helixtrans-60-31.2174.2-63.30000113.2F77 K178 R179 I180F77-C182 HydrophobicContact CB-CB 4.2Å; K178-C182 PolarHBondContact O-N 3.28Å; K178-C182 VanDerWaalsContact O-N 3.15Å; K178-C182 PolarHBondContact O-SG 3.35Å; K178-C182 VanDerWaalsContact O-SG 3.38Å; R179-C182 WeakPolarHBondContact O-CB 3.25Å; R179-C182 PolarHBondContact O-N 3.07Å; I180-C182 PolarHBondContact O-N 3.25Å
183Y92.6Very high92.6Very high19 Ų1959.4 Ų59.48%0.07530%0.298CS..Hα-helixtrans-88-33.3179.2-68.6-86.9000112.7P33 F77 R88 T116 R179 I180 K181 N185 S186 Y187P33-Y183 HydrophobicContact CG-CD2 3.7Å; P33-Y183 HydrophobicContact CG-CE2 3.94Å; P33-Y183 HydrophobicContact CG-CG 4.42Å; F77-Y183 HydrophobicContact CB-CE2 4Å; F77-Y183 HydrophobicContact CD1-CE2 4.25Å; F77-Y183 WeakPolarHBondContact CD1-OH 3.46Å; F77-Y183 HydrophobicContact CG-CE2 4.16Å; R88-Y183 PolarHBondContact NH1-OH 3.17Å; T116-Y183 HydrophobicContact CG2-CD1 4.25Å; T116-Y183 HydrophobicContact CG2-CE1 4Å; T116-Y183 WeakPolarHBondContact OG1-CE1 3.38Å; R179-Y183 HydrophobicContact CG-CE2 4.21Å; R179-Y183 WeakPolarHBondContact O-CD2 3.45Å; I180-Y183 PolarHBondContact O-N 3.31Å; K181-Y183 PolarHBondContact O-N 3Å; Y183-N185 VanDerWaalsContact C-N 3.3Å; Y183-N185 PolarHBondContact O-N 3.37Å; Y183-S186 CarbonylContact O-C 3.18Å; Y183-S186 PolarHBondContact O-N 3.06Å; Y183-S186 VanDerWaalsContact O-N 3.08Å; Y183-S186 PolarHBondContact O-OG 2.96Å; Y183-Y187 PolarHBondContact O-N 3.49Å; Y183-Y187 VanDerWaalsContact O-N 3.1Å
184E92.1Very high93.1Very high91 Ų9163.4 Ų63.443%0.42532%0.318SS..Hα-helixtrans-53.6-43.8-176.7-72.8174.716300112.8L32 I180 K181 S186 Y187L32-E184 HydrophobicContact CD1-CG 3.88Å; L32-E184 HydrophobicContact CD2-CG 4.27Å; I180-E184 HydrophobicContact CG2-CG 4.17Å; I180-E184 WeakPolarHBondContact CG2-OE1 3.06Å; I180-E184 PolarHBondContact O-N 2.91Å; K181-E184 WeakPolarHBondContact CA-OE2 3.3Å; K181-E184 PolarHBondContact O-N 3.45Å; E184-S186 PolarHBondContact O-N 3.45Å; E184-Y187 PolarHBondContact O-N 2.91Å
185N85.3Confident93.5Very high145 Ų14558.8 Ų58.878%0.77530%0.297SS*.THydrogen-bonded Turntrans-63.6-17.3-177.9-67.2-21.1000114.6Y183Y183-N185 VanDerWaalsContact C-N 3.3Å; Y183-N185 PolarHBondContact O-N 3.37Å
186S90Very high93.8Very high44 Ų4465.4 Ų65.431%0.30832%0.32SS..THydrogen-bonded Turntrans-123.510.7-177.760.20000112.2T119 Y183 E184 E188T119-S186 WeakPolarHBondContact CG2-O 3.47Å; Y183-S186 CarbonylContact O-C 3.18Å; Y183-S186 PolarHBondContact O-N 3.06Å; Y183-S186 VanDerWaalsContact O-N 3.08Å; Y183-S186 PolarHBondContact O-OG 2.96Å; E184-S186 PolarHBondContact O-N 3.45Å; S186-E188 PolarHBondContact O-N 3.44Å
187Y96.1Very high94.1Very high48 Ų4869.6 Ų69.619%0.18834%0.343CS..  trans-80.8113.3-175.8-177.8-150.2000111V30 L32 T118 E141 Y183 E184 T189V30-Y187 HydrophobicContact CG1-CE2 4.38Å; L32-Y187 HydrophobicContact CD1-CD1 3.96Å; L32-Y187 HydrophobicContact CD1-CE1 4.2Å; L32-Y187 HydrophobicContact CD2-CD1 3.89Å; L32-Y187 HydrophobicContact CD2-CE1 4.48Å; L32-Y187 HydrophobicContact CD2-CG 4.01Å; L32-Y187 HydrophobicContact CG-CD1 3.71Å; L32-Y187 HydrophobicContact CG-CE1 3.87Å; L32-Y187 HydrophobicContact CG-CG 4.29Å; T118-Y187 HydrophobicContact CG2-CD2 3.53Å; T118-Y187 HydrophobicContact CG2-CE2 3.86Å; T118-Y187 HydrophobicContact CG2-CG 4.17Å; E141-Y187 PolarHBondContact OE1-OH 3.34Å; Y183-Y187 PolarHBondContact O-N 3.49Å; Y183-Y187 VanDerWaalsContact O-N 3.1Å; E184-Y187 PolarHBondContact O-N 2.91Å; Y187-T189 HydrophobicContact CD1-CG2 4.17Å; Y187-T189 HydrophobicContact CE1-CG2 3.59Å; Y187-T189 HydrophobicContact CE2-CG2 4.05Å
188E97Very high94.5Very high67 Ų6767.2 Ų67.231%0.31333%0.331SS..  trans-109.396.9174.9-61.3174.794.200108.5T118 T119 R120 R123 S186T118-E188 PolarHBondContact O-N 2.9Å; T119-E188 WeakPolarHBondContact CA-OE2 3.47Å; R120-E188 HydrophobicContact CG-CB 4.19Å; R120-E188 IonicContact CZ-OE1 3.96Å; R120-E188 PolarHBondContact N-OE2 3.38Å; R120-E188 IonicContact NH1-OE1 3.56Å; R120-E188 PolarHBondContact NH1-OE1 2.91Å; R123-E188 PolarHBondContact NH1-O 3.36Å; R123-E188 PolarHBondContact NH2-O 2.92Å; S186-E188 PolarHBondContact O-N 3.44Å
189T97.4Very high94.8Very high48 Ų4864 Ų6429%0.29432%0.319SS..  trans-61.2158.8179.964.80000111.6E141 Y187 D191 K202E141-T189 WeakPolarHBondContact OE1-CA 3.31Å; E141-T189 VanDerWaalsContact OE1-CB 3.27Å; E141-T189 WeakPolarHBondContact OE1-CB 3.22Å; Y187-T189 HydrophobicContact CD1-CG2 4.17Å; Y187-T189 HydrophobicContact CE1-CG2 3.59Å; Y187-T189 HydrophobicContact CE2-CG2 4.05Å; T189-D191 PolarHBondContact O-N 3.38Å; T189-K202 PolarHBondContact OG1-NZ 3.27Å
190L98Very high95.1Very high1 Ų162.8 Ų62.81%0.00531%0.314CS..  trans-63.3131.1167.9-64.6169.1000109.7F139 E141 D195 L198 F200 K202F139-L190 HydrophobicContact CB-CD1 3.69Å; F139-L190 HydrophobicContact CG-CD1 4.43Å; E141-L190 HydrophobicContact CB-CD1 3.82Å; E141-L190 HydrophobicContact CB-CG 4.49Å; E141-L190 PolarHBondContact OE1-N 2.91Å; E141-L190 VanDerWaalsContact OE1-N 3.13Å; E141-L190 WeakPolarHBondContact OE2-CB 3.48Å; E141-L190 PolarHBondContact OE2-N 3.46Å; L190-D195 HydrophobicContact CD2-CB 4.29Å; L190-L198 HydrophobicContact CD2-CD1 4.4Å; L190-F200 HydrophobicContact CB-CD2 4.32Å; L190-F200 HydrophobicContact CB-CE2 4.28Å; L190-F200 HydrophobicContact CB-CZ 4.4Å; L190-F200 HydrophobicContact CD1-CB 3.68Å; L190-F200 HydrophobicContact CD1-CD1 4.37Å; L190-F200 HydrophobicContact CD1-CD2 3.98Å; L190-F200 HydrophobicContact CD1-CG 3.79Å; L190-K202 PolarHBondContact O-NZ 2.84Å
191D96.8Very high95.4Very high59 Ų5962.6 Ų62.632%0.31631%0.313SS..  trans-122.6137.8-171.6-179.3-90.7000111.6T189 V193 L194 D195T189-D191 PolarHBondContact O-N 3.38Å; D191-V193 PolarHBondContact O-N 2.71Å; D191-V193 WeakPolarHBondContact OD1-CA 3.34Å; D191-V193 WeakPolarHBondContact OD1-CB 3.3Å; D191-V193 PolarHBondContact OD1-N 3.4Å; D191-L194 HydrophobicContact CB-CB 4.15Å; D191-L194 PolarHBondContact OD1-N 2.99Å; D191-D195 PolarHBondContact N-OD2 3.06Å; D191-D195 WeakPolarHBondContact O-CA 3.43Å; D191-D195 VanDerWaalsContact O-CB 3.26Å; D191-D195 WeakPolarHBondContact O-CB 3.5Å; D191-D195 PolarHBondContact O-N 3.42Å
192E93.4Very high95.6Very high126 Ų12658 Ų5859%0.58929%0.293SS*.THydrogen-bonded Turntrans-64.9-24.4-174.9-65.6175.5-152.300113.7R196 L211E192-R196 VanDerWaalsContact O-CB 3.25Å; E192-R196 WeakPolarHBondContact O-CB 3.39Å; E192-L211 HydrophobicContact CG-CD1 4.08Å; E192-L211 HydrophobicContact CG-CD2 3.55Å; E192-L211 HydrophobicContact CG-CG 4.41Å; E192-L211 WeakPolarHBondContact OE1-CD2 3.42Å
193V95.9Very high95.8Very high108 Ų10857.8 Ų57.866%0.65529%0.291SS*.THydrogen-bonded Turntrans-98.8-49.5-177.1-178.80000110.5D191D191-V193 PolarHBondContact O-N 2.71Å; D191-V193 WeakPolarHBondContact OD1-CA 3.34Å; D191-V193 WeakPolarHBondContact OD1-CB 3.3Å; D191-V193 PolarHBondContact OD1-N 3.4Å
194L96.8Very high95.9Very high118 Ų11858.5 Ų58.562%0.61830%0.295SS*.THydrogen-bonded Turntrans-75.4-36.2-175.9-60.8173.2000112D191D191-L194 HydrophobicContact CB-CB 4.15Å; D191-L194 PolarHBondContact OD1-N 2.99Å
195D97.6Very high95.7Very high12 Ų1256 Ų566%0.06429%0.285CS..THydrogen-bonded Turntrans-105.120.7-179.1-54.3-75000111.6R120 R123 L190 D191 D197 L198 F200R120-D195 IonicContact NE-OD2 3.25Å; R120-D195 IonicContact NH2-OD2 3.44Å; R123-D195 IonicContact NH2-OD1 2.66Å; L190-D195 HydrophobicContact CD2-CB 4.29Å; D191-D195 PolarHBondContact N-OD2 3.06Å; D191-D195 WeakPolarHBondContact O-CA 3.43Å; D191-D195 VanDerWaalsContact O-CB 3.26Å; D191-D195 WeakPolarHBondContact O-CB 3.5Å; D191-D195 PolarHBondContact O-N 3.42Å; D195-D197 PolarHBondContact O-N 3.11Å; D195-L198 HydrophobicContact CB-CD1 3.91Å; D195-L198 HydrophobicContact CB-CG 4.19Å; D195-L198 WeakPolarHBondContact O-CB 3.33Å; D195-L198 PolarHBondContact O-N 2.9Å; D195-F200 HydrophobicContact CB-CE1 4.41Å
196R97Very high95.7Very high158 Ų15851.6 Ų51.660%0.59626%0.263SS*.THydrogen-bonded Turntrans-53.3-29.9-173.374.4-176.6-175-171.7-4.9114.3E192 N213 R214E192-R196 VanDerWaalsContact O-CB 3.25Å; E192-R196 WeakPolarHBondContact O-CB 3.39Å; R196-N213 PolarHBondContact O-ND2 2.8Å; R196-R214 VanDerWaalsContact O-CD 3.26Å; R196-R214 WeakPolarHBondContact O-CD 3.48Å
197D97Very high95.6Very high91 Ų9150.4 Ų50.449%0.48726%0.257SS..THydrogen-bonded Turntrans-89-9.4-175.1-76.3-60.7000112.9D195 R214D195-D197 PolarHBondContact O-N 3.11Å; D197-R214 VanDerWaalsContact CA-NH1 3.31Å; D197-R214 PolarHBondContact O-NH1 2.62Å; D197-R214 IonicContact OD1-CZ 3.62Å; D197-R214 IonicContact OD1-NH1 2.79Å; D197-R214 PolarHBondContact OD1-NH1 2.77Å; D197-R214 IonicContact OD1-NH2 3.99Å
198L98.2Very high95.4Very high32 Ų3255.4 Ų55.417%0.16828%0.283CS..SBendtrans-86147.9-179.6-54.2-171.3000112.7L127 F139 L190 D195 F200 N213L127-L198 HydrophobicContact CD1-CD1 4.25Å; L127-L198 HydrophobicContact CD1-CD2 3.68Å; L127-L198 HydrophobicContact CD2-CD2 4.28Å; F139-L198 HydrophobicContact CD2-CD1 4.42Å; F139-L198 HydrophobicContact CE2-CB 4.48Å; F139-L198 HydrophobicContact CE2-CD1 3.98Å; L190-L198 HydrophobicContact CD2-CD1 4.4Å; D195-L198 HydrophobicContact CB-CD1 3.91Å; D195-L198 HydrophobicContact CB-CG 4.19Å; D195-L198 WeakPolarHBondContact O-CB 3.33Å; D195-L198 PolarHBondContact O-N 2.9Å; L198-F200 HydrophobicContact CB-CD1 4.24Å; L198-F200 WeakPolarHBondContact O-CD1 3.06Å; L198-N213 PolarHBondContact O-ND2 3.44Å
199S98.5Very high95.2Very high9 Ų958.9 Ų58.96%0.06329%0.293CS..  trans-88.5118.3171.9-56.60000110.5F138 F139 N213 R214 L216F138-S199 WeakPolarHBondContact CA-O 3.29Å; F139-S199 PolarHBondContact N-O 3.28Å; S199-N213 WeakPolarHBondContact CA-O 3.03Å; S199-R214 WeakPolarHBondContact CB-O 3.32Å; S199-R214 PolarHBondContact OG-O 3.06Å; S199-L216 VanDerWaalsContact OG-CD1 3.31Å; S199-L216 WeakPolarHBondContact OG-CD1 3.43Å; S199-L216 VanDerWaalsContact OG-CG 3.25Å; S199-L216 WeakPolarHBondContact OG-CG 3.22Å
200F98.8Very high95.2Very high1 Ų159.4 Ų59.40%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-154.2162.2-178.267.9-98.8000114.7F139 L190 D195 L198 K202 L211 V212 N213F139-F200 HydrophobicContact CB-CB 3.78Å; F139-F200 CarbonylContact O-C 3.53Å; F139-F200 WeakPolarHBondContact O-CA 3.38Å; F139-F200 WeakPolarHBondContact O-CB 3.42Å; L190-F200 HydrophobicContact CB-CD2 4.32Å; L190-F200 HydrophobicContact CB-CE2 4.28Å; L190-F200 HydrophobicContact CB-CZ 4.4Å; L190-F200 HydrophobicContact CD1-CB 3.68Å; L190-F200 HydrophobicContact CD1-CD1 4.37Å; L190-F200 HydrophobicContact CD1-CD2 3.98Å; L190-F200 HydrophobicContact CD1-CG 3.79Å; D195-F200 HydrophobicContact CB-CE1 4.41Å; L198-F200 HydrophobicContact CB-CD1 4.24Å; L198-F200 WeakPolarHBondContact O-CD1 3.06Å; F200-K202 HydrophobicContact CD2-CB 4.45Å; F200-K202 HydrophobicContact CE2-CB 4.49Å; F200-L211 HydrophobicContact CE2-CD2 3.86Å; F200-L211 HydrophobicContact CE2-CG 4.04Å; F200-L211 HydrophobicContact CZ-CD2 4.25Å; F200-V212 WeakPolarHBondContact O-CA 3.46Å; F200-N213 HydrophobicContact CD1-CB 3.71Å; F200-N213 HydrophobicContact CD2-CB 4.25Å; F200-N213 HydrophobicContact CE1-CB 3.38Å; F200-N213 HydrophobicContact CE2-CB 3.96Å; F200-N213 HydrophobicContact CG-CB 4.13Å; F200-N213 HydrophobicContact CZ-CB 3.51Å; F200-N213 PolarHBondContact N-O 2.64Å; F200-N213 PolarHBondContact O-N 2.73Å
201I98.6Very high95.2Very high0 Ų061.3 Ų61.30%030%0.3CS..EExtended strand (participates in β ladder)trans-125131.6161.3-178.6172.5000109.1F138 F139 V140 E141 I203 Y210 L211 V212 V224 L227F138-I201 HydrophobicContact CE1-CG2 3.71Å; F138-I201 HydrophobicContact CZ-CB 4.09Å; F138-I201 HydrophobicContact CZ-CG2 3.75Å; F139-I201 PolarHBondContact O-N 3.39Å; V140-I201 WeakPolarHBondContact CA-O 3.18Å; V140-I201 HydrophobicContact CB-CG2 4.27Å; V140-I201 HydrophobicContact CG1-CG2 4.17Å; V140-I201 HydrophobicContact CG2-CG2 3.85Å; E141-I201 PolarHBondContact N-O 3.31Å; I201-I203 HydrophobicContact CD1-CG1 4.3Å; I201-I203 HydrophobicContact CG1-CG1 4.16Å; I201-Y210 HydrophobicContact CD1-CD1 3.91Å; I201-Y210 HydrophobicContact CG1-CD1 4.36Å; I201-L211 CarbonylContact C-O 3.57Å; I201-L211 WeakPolarHBondContact CA-O 3.41Å; I201-V212 HydrophobicContact CB-CG2 4.38Å; I201-V212 HydrophobicContact CD1-CG2 4.15Å; I201-V212 HydrophobicContact CG1-CG2 3.95Å; I201-V224 HydrophobicContact CB-CG2 4.44Å; I201-V224 HydrophobicContact CD1-CG1 4.25Å; I201-V224 HydrophobicContact CD1-CG2 4.38Å; I201-L227 HydrophobicContact CD1-CB 4.09Å; I201-L227 HydrophobicContact CD1-CD1 4.31Å; I201-L227 HydrophobicContact CG2-CD1 3.76Å
202K98.2Very high95.3Very high27 Ų2761.3 Ų61.312%0.11730%0.302CS..EExtended strand (participates in β ladder)trans-110.6115.6172.6-177.6178-163.7165.90108.6E141 V143 T189 L190 F200 M204 Y210 L211E141-K202 HydrophobicContact CB-CB 4.35Å; E141-K202 HydrophobicContact CB-CG 4.27Å; E141-K202 HydrophobicContact CG-CG 4.34Å; E141-K202 WeakPolarHBondContact O-CA 3.45Å; E141-K202 WeakPolarHBondContact OE2-CD 3.31Å; E141-K202 WeakPolarHBondContact OE2-CE 3.41Å; E141-K202 WeakPolarHBondContact OE2-CG 3.27Å; E141-K202 IonicContact OE2-NZ 2.67Å; V143-K202 HydrophobicContact CG2-CD 4.46Å; V143-K202 HydrophobicContact CG2-CG 4.1Å; T189-K202 PolarHBondContact OG1-NZ 3.27Å; L190-K202 PolarHBondContact O-NZ 2.84Å; F200-K202 HydrophobicContact CD2-CB 4.45Å; F200-K202 HydrophobicContact CE2-CB 4.49Å; K202-M204 HydrophobicContact CD-SD 4.47Å; K202-M204 HydrophobicContact CG-CG 4.17Å; K202-Y210 VanDerWaalsContact O-CA 3.31Å; K202-Y210 WeakPolarHBondContact O-CA 3.27Å; K202-L211 HydrophobicContact CB-CB 4.2Å; K202-L211 HydrophobicContact CD-CD2 4.38Å; K202-L211 PolarHBondContact N-O 2.99Å; K202-L211 PolarHBondContact O-N 2.76Å
203I96.8Very high95.5Very high10 Ų1057.1 Ų57.15%0.05128%0.283CS..EExtended strand (participates in β ladder)trans-97.7119-178.9-53.8173000107.2I40 V140 E141 V143 I201 Y210 L227I40-I203 HydrophobicContact CD1-CD1 4Å; V140-I203 HydrophobicContact CG1-CD1 4.07Å; E141-I203 PolarHBondContact O-N 3.5Å; V143-I203 PolarHBondContact N-O 2.9Å; I201-I203 HydrophobicContact CD1-CG1 4.3Å; I201-I203 HydrophobicContact CG1-CG1 4.16Å; I203-Y210 HydrophobicContact CB-CD1 4.4Å; I203-Y210 HydrophobicContact CB-CE1 4.35Å; I203-Y210 HydrophobicContact CG1-CD1 4Å; I203-Y210 HydrophobicContact CG1-CE1 4.02Å; I203-Y210 HydrophobicContact CG2-CD1 4.29Å; I203-Y210 HydrophobicContact CG2-CE1 3.82Å; I203-L227 HydrophobicContact CD1-CB 4.23Å; I203-L227 HydrophobicContact CD1-CD1 4.34Å; I203-L227 HydrophobicContact CD1-CD2 4.32Å
204M94.1Very high95.6Very high34 Ų3458 Ų5817%0.16728%0.275CS..EExtended strand (participates in β ladder)trans-115.3140.3-175.9-66.6167.1-7600110.5V143 K202 V206 G207 Q208 R209 L211V143-M204 HydrophobicContact CB-CG 4.31Å; V143-M204 WeakPolarHBondContact O-CA 3.29Å; K202-M204 HydrophobicContact CD-SD 4.47Å; K202-M204 HydrophobicContact CG-CG 4.17Å; M204-V206 VanDerWaalsContact C-N 3.34Å; M204-V206 PolarHBondContact O-N 3Å; M204-G207 PolarHBondContact O-N 3.41Å; M204-Q208 PolarHBondContact O-N 3.3Å; M204-Q208 VanDerWaalsContact O-N 3.17Å; M204-R209 HydrophobicContact CB-CB 4.16Å; M204-R209 HydrophobicContact CE-CB 3.95Å; M204-R209 PolarHBondContact N-O 3.04Å; M204-R209 PolarHBondContact O-N 3.21Å; M204-L211 HydrophobicContact CE-CB 4.1Å
205D87.9Confident95.7Very high39 Ų3955.1 Ų55.121%0.20926%0.262CS..THydrogen-bonded Turntrans52.851.2173.8-49.6-41.6000111.7V143 G207 Q208 R209V143-D205 PolarHBondContact O-N 3.13Å; D205-G207 VanDerWaalsContact C-N 3.27Å; D205-G207 PolarHBondContact O-N 2.93Å; D205-Q208 HydrophobicContact CB-CB 4.18Å; D205-Q208 HydrophobicContact CB-CG 4.38Å; D205-Q208 VanDerWaalsContact O-CG 3.24Å; D205-Q208 WeakPolarHBondContact O-CG 3.37Å; D205-Q208 PolarHBondContact O-N 2.83Å; D205-R209 IonicContact OD2-CZ 3.98Å; D205-R209 IonicContact OD2-NE 3.79Å; D205-R209 PolarHBondContact OD2-NE 3.41Å; D205-R209 IonicContact OD2-NH2 2.82Å; D205-R209 PolarHBondContact OD2-NH2 3.32Å
206V86.2Confident95.5Very high52 Ų5259.5 Ų59.532%0.31529%0.285SS..THydrogen-bonded Turntrans61.136.1176.3-160.80000112.7V149 M204 I232V149-V206 HydrophobicContact CG1-CG2 3.65Å; V149-V206 HydrophobicContact CG2-CG2 4.2Å; M204-V206 VanDerWaalsContact C-N 3.34Å; M204-V206 PolarHBondContact O-N 3Å; V206-I232 HydrophobicContact CG1-CB 4.43Å; V206-I232 HydrophobicContact CG1-CD1 3.3Å; V206-I232 HydrophobicContact CG1-CG1 3.39Å; V206-I232 HydrophobicContact CG1-CG2 4.33Å; V206-I232 HydrophobicContact CG2-CD1 4.47Å
207G88.5Confident95.4Very high18 Ų1853.5 Ų53.519%0.18627%0.265CS..THydrogen-bonded Turntrans86.216175.800000114.5M204 D205 Y210M204-G207 PolarHBondContact O-N 3.41Å; D205-G207 VanDerWaalsContact C-N 3.27Å; D205-G207 PolarHBondContact O-N 2.93Å; G207-Y210 WeakPolarHBondContact CA-OH 3.4Å; G207-Y210 WeakPolarHBondContact O-CE2 3.45Å; G207-Y210 VanDerWaalsContact O-CZ 3.22Å; G207-Y210 PolarHBondContact O-OH 2.92Å
208Q90.3Very high95.2Very high154 Ų15453.5 Ų53.572%0.7226%0.262SS*.THydrogen-bonded Turntrans-70.4-34.4169.3-70.9178.426.700112M204 D205M204-Q208 PolarHBondContact O-N 3.3Å; M204-Q208 VanDerWaalsContact O-N 3.17Å; D205-Q208 HydrophobicContact CB-CB 4.18Å; D205-Q208 HydrophobicContact CB-CG 4.38Å; D205-Q208 VanDerWaalsContact O-CG 3.24Å; D205-Q208 WeakPolarHBondContact O-CG 3.37Å; D205-Q208 PolarHBondContact O-N 2.83Å
209R94.5Very high95Very high140 Ų14052.2 Ų52.253%0.52826%0.255SS..EExtended strand (participates in β ladder)trans-136.9147.5-178.1-63.4180-66.2150.8-0.3110.9M204 D205M204-R209 HydrophobicContact CB-CB 4.16Å; M204-R209 HydrophobicContact CE-CB 3.95Å; M204-R209 PolarHBondContact N-O 3.04Å; M204-R209 PolarHBondContact O-N 3.21Å; D205-R209 IonicContact OD2-CZ 3.98Å; D205-R209 IonicContact OD2-NE 3.79Å; D205-R209 PolarHBondContact OD2-NE 3.41Å; D205-R209 IonicContact OD2-NH2 2.82Å; D205-R209 PolarHBondContact OD2-NH2 3.32Å
210Y96.8Very high94.9Very high59 Ų5951.8 Ų51.823%0.23125%0.252CS..EExtended strand (participates in β ladder)trans-133.3139.1-179.6-55.9-90000110I201 K202 I203 G207 L227 M228I201-Y210 HydrophobicContact CD1-CD1 3.91Å; I201-Y210 HydrophobicContact CG1-CD1 4.36Å; K202-Y210 VanDerWaalsContact O-CA 3.31Å; K202-Y210 WeakPolarHBondContact O-CA 3.27Å; I203-Y210 HydrophobicContact CB-CD1 4.4Å; I203-Y210 HydrophobicContact CB-CE1 4.35Å; I203-Y210 HydrophobicContact CG1-CD1 4Å; I203-Y210 HydrophobicContact CG1-CE1 4.02Å; I203-Y210 HydrophobicContact CG2-CD1 4.29Å; I203-Y210 HydrophobicContact CG2-CE1 3.82Å; G207-Y210 WeakPolarHBondContact CA-OH 3.4Å; G207-Y210 WeakPolarHBondContact O-CE2 3.45Å; G207-Y210 VanDerWaalsContact O-CZ 3.22Å; G207-Y210 PolarHBondContact O-OH 2.92Å; Y210-L227 PolarHBondContact OH-O 2.94Å; Y210-M228 HydrophobicContact CD1-CG 3.99Å; Y210-M228 HydrophobicContact CD2-CE 4.31Å; Y210-M228 HydrophobicContact CD2-CG 4.09Å; Y210-M228 HydrophobicContact CE1-CG 4.07Å; Y210-M228 HydrophobicContact CE2-CB 4.41Å; Y210-M228 HydrophobicContact CE2-CG 4.2Å; Y210-M228 HydrophobicContact CG-CG 3.99Å
211L97.9Very high94.8Very high41 Ų4154.1 Ų54.122%0.21527%0.269CS..EExtended strand (participates in β ladder)trans-117.9121.3164.716971.6000107.3E192 F200 I201 K202 M204E192-L211 HydrophobicContact CG-CD1 4.08Å; E192-L211 HydrophobicContact CG-CD2 3.55Å; E192-L211 HydrophobicContact CG-CG 4.41Å; E192-L211 WeakPolarHBondContact OE1-CD2 3.42Å; F200-L211 HydrophobicContact CE2-CD2 3.86Å; F200-L211 HydrophobicContact CE2-CG 4.04Å; F200-L211 HydrophobicContact CZ-CD2 4.25Å; I201-L211 CarbonylContact C-O 3.57Å; I201-L211 WeakPolarHBondContact CA-O 3.41Å; K202-L211 HydrophobicContact CB-CB 4.2Å; K202-L211 HydrophobicContact CD-CD2 4.38Å; K202-L211 PolarHBondContact N-O 2.99Å; K202-L211 PolarHBondContact O-N 2.76Å; M204-L211 HydrophobicContact CE-CB 4.1Å
212V98.5Very high94.6Very high58 Ų5855.6 Ų55.635%0.35227%0.274SS..EExtended strand (participates in β ladder)trans-118.6128.7-177.8-178.40000108.5F200 I201 V215 V224F200-V212 WeakPolarHBondContact O-CA 3.46Å; I201-V212 HydrophobicContact CB-CG2 4.38Å; I201-V212 HydrophobicContact CD1-CG2 4.15Å; I201-V212 HydrophobicContact CG1-CG2 3.95Å; V212-V215 HydrophobicContact CG1-CG2 3.48Å; V212-V215 VanDerWaalsContact CG1-CG2 3.48Å; V212-V224 HydrophobicContact CG1-CG1 4.22Å; V212-V224 HydrophobicContact CG1-CG2 3.94Å; V212-V224 HydrophobicContact CG2-CG1 3.82Å
213N98.5Very high94.6Very high38 Ų3854.3 Ų54.320%0.20327%0.269CS..EExtended strand (participates in β ladder)trans-126.4136.6-180-168.248.6000111.6R196 L198 S199 F200 V215R196-N213 PolarHBondContact O-ND2 2.8Å; L198-N213 PolarHBondContact O-ND2 3.44Å; S199-N213 WeakPolarHBondContact CA-O 3.03Å; F200-N213 HydrophobicContact CD1-CB 3.71Å; F200-N213 HydrophobicContact CD2-CB 4.25Å; F200-N213 HydrophobicContact CE1-CB 3.38Å; F200-N213 HydrophobicContact CE2-CB 3.96Å; F200-N213 HydrophobicContact CG-CB 4.13Å; F200-N213 HydrophobicContact CZ-CB 3.51Å; F200-N213 PolarHBondContact N-O 2.64Å; F200-N213 PolarHBondContact O-N 2.73Å; N213-V215 PolarHBondContact O-N 3.11Å
214R97.6Very high94.7Very high126 Ų12654.5 Ų54.548%0.47527%0.27SS..  trans39.864.1173.3-59.6-169.590.9172.422.7115.6R196 D197 S199 L216R196-R214 VanDerWaalsContact O-CD 3.26Å; R196-R214 WeakPolarHBondContact O-CD 3.48Å; D197-R214 VanDerWaalsContact CA-NH1 3.31Å; D197-R214 PolarHBondContact O-NH1 2.62Å; D197-R214 IonicContact OD1-CZ 3.62Å; D197-R214 IonicContact OD1-NH1 2.79Å; D197-R214 PolarHBondContact OD1-NH1 2.77Å; D197-R214 IonicContact OD1-NH2 3.99Å; S199-R214 WeakPolarHBondContact CB-O 3.32Å; S199-R214 PolarHBondContact OG-O 3.06Å; R214-L216 PolarHBondContact O-N 3.37Å
215V97.7Very high94.8Very high58 Ų5858.3 Ų58.335%0.35228%0.284SS..  trans-67.5117.6169.3-178.70000109.5V212 N213 Q220 V224V212-V215 HydrophobicContact CG1-CG2 3.48Å; V212-V215 VanDerWaalsContact CG1-CG2 3.48Å; N213-V215 PolarHBondContact O-N 3.11Å; V215-Q220 HydrophobicContact CG1-CB 3.77Å; V215-V224 HydrophobicContact CG2-CG2 4.11Å
216L94.9Very high95.3Very high104 Ų10456.5 Ų56.555%0.54527%0.274SS..  trans-93.7-25.2-170.3-60.6178.1000114.5S199 R214S199-L216 VanDerWaalsContact OG-CD1 3.31Å; S199-L216 WeakPolarHBondContact OG-CD1 3.43Å; S199-L216 VanDerWaalsContact OG-CG 3.25Å; S199-L216 WeakPolarHBondContact OG-CG 3.22Å; R214-L216 PolarHBondContact O-N 3.37Å
217D94.3Very high95.8Very high32 Ų3254 Ų5417%0.17126%0.259CS..SBendtrans-153.2178.4-175.266.335.2000114K136 V219 Q220 S221K136-D217 VanDerWaalsContact CD-OD2 3.29Å; K136-D217 WeakPolarHBondContact CD-OD2 3.38Å; K136-D217 IonicContact NZ-OD2 3.73Å; K136-D217 PolarHBondContact NZ-OD2 3.18Å; D217-V219 PolarHBondContact O-N 2.48Å; D217-V219 PolarHBondContact OD1-N 2.65Å; D217-Q220 PolarHBondContact O-N 2.93Å; D217-Q220 WeakPolarHBondContact OD1-CG 3.32Å; D217-Q220 PolarHBondContact OD1-N 3.33Å; D217-S221 PolarHBondContact O-N 2.86Å
218H92.6Very high96.2Very high91 Ų9157.6 Ų57.642%0.42127%0.272SS..Hα-helixtrans-60.5-41-179178.8-106000112.6M20 S221 R222M20-H218 PolarHBondContact SD-CE1 2.78Å; H218-S221 WeakPolarHBondContact CA-OG 3.23Å; H218-S221 PolarHBondContact O-N 2.86Å; H218-S221 PolarHBondContact O-OG 3.34Å; H218-R222 WeakPolarHBondContact CE1-CD 3.49Å; H218-R222 WeakPolarHBondContact O-CG 3.23Å; H218-R222 PolarHBondContact O-N 3.43Å
219V93.4Very high96.4Very high5 Ų551.6 Ų51.63%0.0325%0.245CC..Hα-helixtrans-66.8-44-179.5172.20000110.5T21 V110 D217 S221 R222 I223T21-V219 HydrophobicContact CG2-CB 4.4Å; T21-V219 HydrophobicContact CG2-CG2 3.45Å; T21-V219 VanDerWaalsContact CG2-CG2 3.45Å; V110-V219 HydrophobicContact CG2-CG1 4.14Å; D217-V219 PolarHBondContact O-N 2.48Å; D217-V219 PolarHBondContact OD1-N 2.65Å; V219-S221 VanDerWaalsContact C-N 3.35Å; V219-S221 PolarHBondContact O-N 2.91Å; V219-R222 PolarHBondContact O-N 3.22Å; V219-I223 HydrophobicContact CG1-CD1 3.77Å; V219-I223 HydrophobicContact CG1-CG1 4.41Å; V219-I223 WeakPolarHBondContact O-CD1 3.46Å; V219-I223 VanDerWaalsContact O-CG1 3.24Å; V219-I223 WeakPolarHBondContact O-CG1 3.42Å; V219-I223 PolarHBondContact O-N 3.22Å
220Q96.9Very high96.3Very high0 Ų045.7 Ų45.70%022%0.224CC..Hα-helixtrans-61-41.9173.7-66.1-176.52.900112.1F138 V215 D217 R222 I223 V224F138-Q220 HydrophobicContact CB-CG 4.24Å; F138-Q220 HydrophobicContact CD2-CB 4.18Å; F138-Q220 HydrophobicContact CD2-CG 3.82Å; F138-Q220 HydrophobicContact CE2-CB 4.28Å; F138-Q220 HydrophobicContact CE2-CG 4.42Å; F138-Q220 HydrophobicContact CG-CG 4.04Å; V215-Q220 HydrophobicContact CG1-CB 3.77Å; D217-Q220 PolarHBondContact O-N 2.93Å; D217-Q220 WeakPolarHBondContact OD1-CG 3.32Å; D217-Q220 PolarHBondContact OD1-N 3.33Å; Q220-R222 VanDerWaalsContact C-N 3.29Å; Q220-R222 PolarHBondContact O-N 2.98Å; Q220-I223 PolarHBondContact O-N 3.21Å; Q220-V224 WeakPolarHBondContact O-CG2 3.46Å; Q220-V224 PolarHBondContact O-N 3.2Å
221S96.6Very high95.8Very high51 Ų5144.4 Ų44.436%0.35722%0.22SC..Hα-helixtrans-62.1-36.9176.370.60000112.8D217 H218 V219 V224 Y225D217-S221 PolarHBondContact O-N 2.86Å; H218-S221 WeakPolarHBondContact CA-OG 3.23Å; H218-S221 PolarHBondContact O-N 2.86Å; H218-S221 PolarHBondContact O-OG 3.34Å; V219-S221 VanDerWaalsContact C-N 3.35Å; V219-S221 PolarHBondContact O-N 2.91Å; S221-V224 PolarHBondContact O-N 3.05Å; S221-Y225 WeakPolarHBondContact O-CB 3.1Å; S221-Y225 PolarHBondContact O-N 3.02Å
222R95.5Very high95Very high31 Ų3146 Ų4612%0.11723%0.227CC..Hα-helixtrans-71.2-38.8176.5-77.2-168.659.7167.13.5112.5Y47 H218 V219 Q220 Y225 Y226 E359Y47-R222 PolarHBondContact OH-NE 2.98Å; Y47-R222 PolarHBondContact OH-NH2 3.34Å; H218-R222 WeakPolarHBondContact CE1-CD 3.49Å; H218-R222 WeakPolarHBondContact O-CG 3.23Å; H218-R222 PolarHBondContact O-N 3.43Å; V219-R222 PolarHBondContact O-N 3.22Å; Q220-R222 VanDerWaalsContact C-N 3.29Å; Q220-R222 PolarHBondContact O-N 2.98Å; R222-Y225 PolarHBondContact O-N 3.06Å; R222-Y226 WeakPolarHBondContact O-CB 3.42Å; R222-Y226 PolarHBondContact O-N 3.25Å; R222-E359 IonicContact CZ-OE1 3.52Å; R222-E359 VanDerWaalsContact CZ-OE1 3.25Å; R222-E359 IonicContact CZ-OE2 3.8Å; R222-E359 VanDerWaalsContact CZ-OE2 3.29Å; R222-E359 IonicContact NE-OE1 3.33Å; R222-E359 IonicContact NH1-OE2 3.36Å; R222-E359 PolarHBondContact NH1-OE2 3.09Å; R222-E359 IonicContact NH2-OE1 2.65Å; R222-E359 PolarHBondContact NH2-OE1 3.28Å; R222-E359 IonicContact NH2-OE2 2.73Å; R222-E359 PolarHBondContact NH2-OE2 3.46Å
223I97.3Very high94.2Very high0 Ų046.1 Ų46.10%023%0.229CC..Hα-helixtrans-59.4-49.5172.8-68.6158000109.6I27 L44 L48 F138 V219 Q220 Y225 Y226 L227I27-I223 HydrophobicContact CD1-CD1 3.45Å; I27-I223 VanDerWaalsContact CD1-CD1 3.45Å; I27-I223 HydrophobicContact CD1-CG1 4.15Å; I27-I223 HydrophobicContact CG1-CD1 4.22Å; L44-I223 HydrophobicContact CD1-CB 4.38Å; L44-I223 HydrophobicContact CD1-CG1 4.13Å; L44-I223 HydrophobicContact CD1-CG2 4.02Å; L44-I223 HydrophobicContact CD2-CG2 3.86Å; L48-I223 HydrophobicContact CD1-CG1 4.39Å; L48-I223 HydrophobicContact CD2-CG1 4.37Å; F138-I223 HydrophobicContact CD1-CG2 4.18Å; F138-I223 HydrophobicContact CE1-CB 4.44Å; F138-I223 HydrophobicContact CE1-CG2 3.71Å; V219-I223 HydrophobicContact CG1-CD1 3.77Å; V219-I223 HydrophobicContact CG1-CG1 4.41Å; V219-I223 WeakPolarHBondContact O-CD1 3.46Å; V219-I223 VanDerWaalsContact O-CG1 3.24Å; V219-I223 WeakPolarHBondContact O-CG1 3.42Å; V219-I223 PolarHBondContact O-N 3.22Å; Q220-I223 PolarHBondContact O-N 3.21Å; I223-Y225 PolarHBondContact O-N 3.36Å; I223-Y226 PolarHBondContact O-N 3.48Å; I223-L227 HydrophobicContact CG2-CD1 3.63Å; I223-L227 HydrophobicContact CG2-CG 4.25Å; I223-L227 WeakPolarHBondContact O-CB 3.48Å; I223-L227 WeakPolarHBondContact O-CG 3.46Å; I223-L227 PolarHBondContact O-N 3.1Å
224V98.1Very high93.6Very high14 Ų1449.6 Ų49.69%0.08525%0.253CS..Hα-helixtrans-57.7-50.2176.8169.70000110.7F138 I201 V212 V215 Q220 S221 Y226 L227 M228F138-V224 HydrophobicContact CE2-CG2 4.43Å; F138-V224 HydrophobicContact CZ-CG2 3.69Å; I201-V224 HydrophobicContact CB-CG2 4.44Å; I201-V224 HydrophobicContact CD1-CG1 4.25Å; I201-V224 HydrophobicContact CD1-CG2 4.38Å; V212-V224 HydrophobicContact CG1-CG1 4.22Å; V212-V224 HydrophobicContact CG1-CG2 3.94Å; V212-V224 HydrophobicContact CG2-CG1 3.82Å; V215-V224 HydrophobicContact CG2-CG2 4.11Å; Q220-V224 WeakPolarHBondContact O-CG2 3.46Å; Q220-V224 PolarHBondContact O-N 3.2Å; S221-V224 PolarHBondContact O-N 3.05Å; V224-Y226 VanDerWaalsContact C-N 3.34Å; V224-Y226 PolarHBondContact O-N 2.81Å; V224-L227 PolarHBondContact O-N 3.47Å; V224-M228 HydrophobicContact CG1-CG 4.41Å; V224-M228 HydrophobicContact CG1-SD 3.77Å; V224-M228 VanDerWaalsContact O-CG 3.27Å; V224-M228 WeakPolarHBondContact O-CG 3.13Å; V224-M228 PolarHBondContact O-N 2.84Å
225Y97.2Very high93.4Very high114 Ų11444.1 Ų44.145%0.44723%0.232SC..Hα-helixtrans-57.6-45.3178.9175.5-120.9000112.3S221 R222 I223 M228 N229 M363S221-Y225 WeakPolarHBondContact O-CB 3.1Å; S221-Y225 PolarHBondContact O-N 3.02Å; R222-Y225 PolarHBondContact O-N 3.06Å; I223-Y225 PolarHBondContact O-N 3.36Å; Y225-M228 PolarHBondContact O-N 3.06Å; Y225-N229 WeakPolarHBondContact CD2-ND2 3.27Å; Y225-N229 VanDerWaalsContact CE2-ND2 3.31Å; Y225-N229 WeakPolarHBondContact CE2-ND2 3.49Å; Y225-N229 PolarHBondContact O-ND2 3.29Å; Y225-M363 HydrophobicContact CD1-SD 4.24Å; Y225-M363 HydrophobicContact CE1-CB 4.39Å; Y225-M363 HydrophobicContact CE1-CG 3.66Å; Y225-M363 HydrophobicContact CE1-SD 3.93Å
226Y97.9Very high93.3Very high0 Ų042.1 Ų42.10%022%0.221CC..Hα-helixtrans-61.3-50.3176.3179.2-106.1000112.1K43 L44 Y47 R222 I223 V224 M228 N229 I230 M363 E366 Y386K43-Y226 HydrophobicContact CB-CE1 4.27Å; K43-Y226 PolarHBondContact O-OH 2.94Å; L44-Y226 HydrophobicContact CB-CE1 4.45Å; L44-Y226 HydrophobicContact CD1-CD1 3.66Å; L44-Y226 HydrophobicContact CD1-CE1 4.26Å; L44-Y226 HydrophobicContact CD1-CG 4.47Å; Y47-Y226 HydrophobicContact CD1-CD1 4.02Å; Y47-Y226 AromaticContact CD1-CD2 3.64Å; Y47-Y226 HydrophobicContact CD1-CD2 3.64Å; Y47-Y226 HydrophobicContact CD1-CE1 4.46Å; Y47-Y226 HydrophobicContact CD1-CE2 4.12Å; Y47-Y226 AromaticContact CD1-CG 3.56Å; Y47-Y226 HydrophobicContact CD1-CG 3.56Å; Y47-Y226 AromaticContact CD2-CD2 3.75Å; Y47-Y226 HydrophobicContact CD2-CD2 3.75Å; Y47-Y226 AromaticContact CD2-CE2 3.81Å; Y47-Y226 HydrophobicContact CD2-CE2 3.81Å; Y47-Y226 AromaticContact CE1-CD2 3.94Å; Y47-Y226 HydrophobicContact CE1-CD2 3.94Å; Y47-Y226 AromaticContact CE1-CG 3.85Å; Y47-Y226 HydrophobicContact CE1-CG 3.85Å; Y47-Y226 HydrophobicContact CE2-CD2 4.05Å; Y47-Y226 HydrophobicContact CG-CD1 4.35Å; Y47-Y226 AromaticContact CG-CD2 3.51Å; Y47-Y226 HydrophobicContact CG-CD2 3.51Å; Y47-Y226 HydrophobicContact CG-CE1 4.39Å; Y47-Y226 AromaticContact CG-CE2 3.56Å; Y47-Y226 HydrophobicContact CG-CE2 3.56Å; Y47-Y226 AromaticContact CG-CG 3.9Å; Y47-Y226 HydrophobicContact CG-CG 3.9Å; R222-Y226 WeakPolarHBondContact O-CB 3.42Å; R222-Y226 PolarHBondContact O-N 3.25Å; I223-Y226 PolarHBondContact O-N 3.48Å; V224-Y226 VanDerWaalsContact C-N 3.34Å; V224-Y226 PolarHBondContact O-N 2.81Å; Y226-M228 PolarHBondContact O-N 3.5Å; Y226-N229 PolarHBondContact O-N 3.4Å; Y226-I230 HydrophobicContact CD1-CG2 4.22Å; Y226-I230 HydrophobicContact CD2-CG2 4.32Å; Y226-I230 HydrophobicContact CE1-CD1 4.46Å; Y226-I230 HydrophobicContact CE1-CG2 3.73Å; Y226-I230 HydrophobicContact CE2-CG2 3.85Å; Y226-I230 PolarHBondContact O-N 3.21Å; Y226-M363 HydrophobicContact CD2-CE 3.53Å; Y226-M363 HydrophobicContact CD2-SD 3.86Å; Y226-M363 HydrophobicContact CE2-CE 3.84Å; Y226-E366 HydrophobicContact CE2-CG 4.17Å; Y226-Y386 WeakPolarHBondContact CE2-OH 3.22Å; Y226-Y386 PolarHBondContact OH-OH 3.21Å
227L96.9Very high93.4Very high1 Ų137.2 Ų37.21%0.00520%0.195CC..Hα-helixtrans-62.8-28.7-177.5-68.5173.1000112.8I40 V140 I201 I203 Y210 I223 V224 N229 I230I40-L227 HydrophobicContact CG2-CD2 3.51Å; V140-L227 HydrophobicContact CG1-CD1 3.91Å; V140-L227 HydrophobicContact CG2-CD1 3.98Å; I201-L227 HydrophobicContact CD1-CB 4.09Å; I201-L227 HydrophobicContact CD1-CD1 4.31Å; I201-L227 HydrophobicContact CG2-CD1 3.76Å; I203-L227 HydrophobicContact CD1-CB 4.23Å; I203-L227 HydrophobicContact CD1-CD1 4.34Å; I203-L227 HydrophobicContact CD1-CD2 4.32Å; Y210-L227 PolarHBondContact OH-O 2.94Å; I223-L227 HydrophobicContact CG2-CD1 3.63Å; I223-L227 HydrophobicContact CG2-CG 4.25Å; I223-L227 WeakPolarHBondContact O-CB 3.48Å; I223-L227 WeakPolarHBondContact O-CG 3.46Å; I223-L227 PolarHBondContact O-N 3.1Å; V224-L227 PolarHBondContact O-N 3.47Å; L227-N229 VanDerWaalsContact C-N 3.29Å; L227-N229 PolarHBondContact O-N 2.91Å; L227-I230 HydrophobicContact CD2-CD1 3.93Å; L227-I230 WeakPolarHBondContact O-CG1 3.12Å
228M96.2Very high93.7Very high92 Ų9236 Ų3645%0.45319%0.188SC..THydrogen-bonded Turntrans-75.5-14.4175.5-70.5178.270.800114.2Y210 V224 Y225 Y226Y210-M228 HydrophobicContact CD1-CG 3.99Å; Y210-M228 HydrophobicContact CD2-CE 4.31Å; Y210-M228 HydrophobicContact CD2-CG 4.09Å; Y210-M228 HydrophobicContact CE1-CG 4.07Å; Y210-M228 HydrophobicContact CE2-CB 4.41Å; Y210-M228 HydrophobicContact CE2-CG 4.2Å; Y210-M228 HydrophobicContact CG-CG 3.99Å; V224-M228 HydrophobicContact CG1-CG 4.41Å; V224-M228 HydrophobicContact CG1-SD 3.77Å; V224-M228 VanDerWaalsContact O-CG 3.27Å; V224-M228 WeakPolarHBondContact O-CG 3.13Å; V224-M228 PolarHBondContact O-N 2.84Å; Y225-M228 PolarHBondContact O-N 3.06Å; Y226-M228 PolarHBondContact O-N 3.5Å
229N95Very high94Very high29 Ų2931.7 Ų31.716%0.15517%0.168CC..THydrogen-bonded Turntrans-109.4-8.1-177.2-74.4-80.4000113.7Y225 Y226 L227 E366 R367Y225-N229 WeakPolarHBondContact CD2-ND2 3.27Å; Y225-N229 VanDerWaalsContact CE2-ND2 3.31Å; Y225-N229 WeakPolarHBondContact CE2-ND2 3.49Å; Y225-N229 PolarHBondContact O-ND2 3.29Å; Y226-N229 PolarHBondContact O-N 3.4Å; L227-N229 VanDerWaalsContact C-N 3.29Å; L227-N229 PolarHBondContact O-N 2.91Å; N229-E366 CarbonylContact O-C 3.57Å; N229-E366 VanDerWaalsContact O-O 3.12Å; N229-R367 VanDerWaalsContact O-CA 3.23Å; N229-R367 WeakPolarHBondContact O-CA 3.49Å; N229-R367 PolarHBondContact O-N 3.09Å; N229-R367 WeakPolarHBondContact OD1-CD 3.33Å
230I92.4Very high94.2Very high16 Ų1631.4 Ų31.48%0.08217%0.167CC..  trans-85.6151.3174.763.3173.1000111.2K43 Y226 L227 E366K43-I230 HydrophobicContact CD-CG2 4.39Å; Y226-I230 HydrophobicContact CD1-CG2 4.22Å; Y226-I230 HydrophobicContact CD2-CG2 4.32Å; Y226-I230 HydrophobicContact CE1-CD1 4.46Å; Y226-I230 HydrophobicContact CE1-CG2 3.73Å; Y226-I230 HydrophobicContact CE2-CG2 3.85Å; Y226-I230 PolarHBondContact O-N 3.21Å; L227-I230 HydrophobicContact CD2-CD1 3.93Å; L227-I230 WeakPolarHBondContact O-CG1 3.12Å; I230-E366 HydrophobicContact CG2-CB 4.16Å; I230-E366 HydrophobicContact CG2-CG 4.25Å
231H86.2Confident94.3Very high32 Ų3231.6 Ų31.615%0.14817%0.168CC..  trans-146167170.265.8104.4000110.4Y39 T233 R235 E366 Q368Y39-H231 PolarHBondContact OH-O 3.12Å; Y39-H231 VanDerWaalsContact OH-O 3.06Å; H231-T233 WeakPolarHBondContact ND1-CB 3.24Å; H231-T233 PolarHBondContact ND1-N 3.1Å; H231-T233 PolarHBondContact ND1-OG1 3.26Å; H231-R235 VanDerWaalsContact CE1-CD 3.41Å; H231-R235 WeakPolarHBondContact CE1-CD 3.25Å; H231-R235 PolarHBondContact CE1-NE 2.87Å; H231-R235 VanDerWaalsContact CE1-NE 3.29Å; H231-R235 PolarHBondContact NE2-NE 2.99Å; H231-R235 VanDerWaalsContact NE2-NE 3.18Å; H231-E366 PolarHBondContact CD2-O 3.11Å; H231-E366 PolarHBondContact NE2-O 3.06Å; H231-Q368 PolarHBondContact NE2-O 2.89Å; H231-Q368 VanDerWaalsContact NE2-O 3.14Å
232I81.2Confident94.4Very high73 Ų7329.3 Ų29.337%0.37415%0.151SC..  trans-103.1-0.2-17971.3174.9000113.7Y39 V206 P234Y39-I232 HydrophobicContact CD1-CG2 4.23Å; Y39-I232 HydrophobicContact CE1-CG2 3.74Å; V206-I232 HydrophobicContact CG1-CB 4.43Å; V206-I232 HydrophobicContact CG1-CD1 3.3Å; V206-I232 HydrophobicContact CG1-CG1 3.39Å; V206-I232 HydrophobicContact CG1-CG2 4.33Å; V206-I232 HydrophobicContact CG2-CD1 4.47Å; I232-P234 WeakPolarHBondContact O-CD 3.37Å
233T82.3Confident94.6Very high62 Ų6227.9 Ų27.938%0.3815%0.146SC..  trans-54.5125.4-179.3-41.20000110.1H231 R235H231-T233 WeakPolarHBondContact ND1-CB 3.24Å; H231-T233 PolarHBondContact ND1-N 3.1Å; H231-T233 PolarHBondContact ND1-OG1 3.26Å; T233-R235 PolarHBondContact O-N 3.03Å
234P85.3Confident94.6Very high110 Ų11028 Ų2871%0.71415%0.146SC*.  trans-56.7131.9175-25.434.7000111.2I232I232-P234 WeakPolarHBondContact O-CD 3.37Å
235R92.8Very high94.7Very high11 Ų1127.4 Ų27.44%0.04214%0.143CC..  trans-160.5166.2-174.860.7-169.8178.1107.9-14.5112.4H231 T233 L365 E366 Q368 E369 P410H231-R235 VanDerWaalsContact CE1-CD 3.41Å; H231-R235 WeakPolarHBondContact CE1-CD 3.25Å; H231-R235 PolarHBondContact CE1-NE 2.87Å; H231-R235 VanDerWaalsContact CE1-NE 3.29Å; H231-R235 PolarHBondContact NE2-NE 2.99Å; H231-R235 VanDerWaalsContact NE2-NE 3.18Å; T233-R235 PolarHBondContact O-N 3.03Å; R235-L365 PolarHBondContact NH1-O 2.79Å; R235-L365 PolarHBondContact NH2-O 3.18Å; R235-E366 VanDerWaalsContact NH2-CA 3.27Å; R235-E366 PolarHBondContact NH2-O 3.22Å; R235-E366 IonicContact NH2-OE2 2.7Å; R235-Q368 WeakPolarHBondContact CD-O 3.29Å; R235-Q368 PolarHBondContact NE-O 3.32Å; R235-Q368 PolarHBondContact NH1-O 2.82Å; R235-E369 HydrophobicContact CB-CB 4.37Å; R235-E369 WeakPolarHBondContact CD-O 3.06Å; R235-E369 PolarHBondContact NH1-O 2.82Å; R235-P410 WeakPolarHBondContact O-CD 3.46Å
236S96Very high94.7Very high17 Ų1726.1 Ų26.112%0.11914%0.141CC..  trans-121.5134.1174.3-64.10000111.8Y238 N370 V371 K407 L408S236-Y238 VanDerWaalsContact CB-CE2 3.49Å; S236-N370 PolarHBondContact N-OD1 2.74Å; S236-N370 VanDerWaalsContact N-OD1 3.07Å; S236-N370 WeakPolarHBondContact O-CA 3.43Å; S236-V371 PolarHBondContact O-N 3.27Å; S236-K407 WeakPolarHBondContact OG-CE 3.26Å; S236-L408 WeakPolarHBondContact CA-O 3.33Å
237I98.4Very high94.8Very high0 Ų027 Ų270%015%0.145CC..EExtended strand (participates in β ladder)trans-108.3125.3170-58164.4000107.6L239 L365 V371 F387 L408I237-L239 HydrophobicContact CG2-CD2 3.88Å; I237-L239 HydrophobicContact CG2-CG 4.26Å; I237-L365 HydrophobicContact CG2-CD2 4.14Å; I237-V371 CarbonylContact C-O 3.56Å; I237-V371 WeakPolarHBondContact CA-O 3.46Å; I237-F387 HydrophobicContact CD1-CD1 4.24Å; I237-F387 HydrophobicContact CD1-CE1 3.48Å; I237-F387 VanDerWaalsContact CD1-CE1 3.48Å; I237-F387 HydrophobicContact CD1-CE2 4.05Å; I237-F387 HydrophobicContact CD1-CZ 3.39Å; I237-L408 HydrophobicContact CB-CB 4.16Å; I237-L408 PolarHBondContact N-O 3.03Å; I237-L408 WeakPolarHBondContact O-CB 3.35Å; I237-L408 PolarHBondContact O-N 3.32Å
238Y98.7Very high94.8Very high7 Ų727.9 Ų27.93%0.02715%0.15CC..EExtended strand (participates in β ladder)trans-105.2121.8178.1-59.5-97.8000108.4S236 F273 I279 L282 V371 L372 V373 V405 L406 K407S236-Y238 VanDerWaalsContact CB-CE2 3.49Å; Y238-F273 HydrophobicContact CD1-CE1 4.14Å; Y238-F273 HydrophobicContact CE1-CE1 4.18Å; Y238-F273 HydrophobicContact CE1-CZ 4.25Å; Y238-I279 HydrophobicContact CD2-CD1 4.22Å; Y238-I279 HydrophobicContact CE1-CD1 4.21Å; Y238-I279 HydrophobicContact CE2-CD1 3.49Å; Y238-I279 VanDerWaalsContact CE2-CD1 3.49Å; Y238-I279 HydrophobicContact CE2-CG1 4.29Å; Y238-I279 VanDerWaalsContact CZ-CD1 3.47Å; Y238-I279 WeakPolarHBondContact OH-CD1 3.22Å; Y238-L282 HydrophobicContact CD2-CD1 4.44Å; Y238-V371 PolarHBondContact N-O 2.78Å; Y238-L372 CarbonylContact O-C 3.6Å; Y238-L372 WeakPolarHBondContact O-CA 3.22Å; Y238-V373 PolarHBondContact O-N 3.49Å; Y238-V405 HydrophobicContact CD1-CG1 3.95Å; Y238-L406 WeakPolarHBondContact CA-O 3.4Å; Y238-K407 HydrophobicContact CD1-CB 4.07Å; Y238-K407 HydrophobicContact CD1-CG 4.14Å; Y238-K407 HydrophobicContact CE1-CB 4.05Å; Y238-K407 HydrophobicContact CE1-CD 3.88Å; Y238-K407 HydrophobicContact CE1-CG 3.74Å
239L98.9Very high94.9Very high0 Ų024.3 Ų24.30%013%0.134CC..EExtended strand (participates in β ladder)trans-113.6128.1175.2-58-175.9000109.1I237 V373 M380 L383 L384 L406 L408I237-L239 HydrophobicContact CG2-CD2 3.88Å; I237-L239 HydrophobicContact CG2-CG 4.26Å; L239-V373 HydrophobicContact CD2-CB 3.7Å; L239-V373 HydrophobicContact CD2-CG2 3.9Å; L239-M380 HydrophobicContact CB-CE 3.85Å; L239-M380 HydrophobicContact CB-CG 4.28Å; L239-M380 HydrophobicContact CB-SD 4.45Å; L239-M380 WeakPolarHBondContact O-CE 3.37Å; L239-L383 HydrophobicContact CD1-CB 3.92Å; L239-L383 HydrophobicContact CD2-CD1 4.05Å; L239-L384 HydrophobicContact CD1-CD2 3.87Å; L239-L384 HydrophobicContact CD1-CG 4.02Å; L239-L406 PolarHBondContact N-O 3.1Å; L239-L406 PolarHBondContact O-N 2.91Å; L239-L408 HydrophobicContact CD1-CD1 3.63Å; L239-L408 HydrophobicContact CG-CD1 4.04Å
240C98.9Very high95.1Very high0 Ų028 Ų280%015%0.149CC..EExtended strand (participates in β ladder)trans-143.3161.8166.2680000110.3F266 V373 I374 C375 T404 V405C240-F266 HydrophobicContact CB-CZ 4.35Å; C240-V373 PolarHBondContact N-O 2.77Å; C240-V373 VanDerWaalsContact N-O 3.09Å; C240-V373 VanDerWaalsContact O-O 3.1Å; C240-I374 WeakPolarHBondContact O-CA 3.33Å; C240-C375 PolarHBondContact O-N 3.19Å; C240-T404 WeakPolarHBondContact CB-O 3.2Å; C240-V405 HydrophobicContact CB-CG2 4.15Å
241R98.9Very high95.3Very high4 Ų428.1 Ų28.12%0.01515%0.153CC..EExtended strand (participates in β ladder)trans-78.8163.9167.8-69.216859.3-179.31.1109.7C375 M380 C400 L402 T429R241-C375 CarbonylContact C-O 3.58Å; R241-C375 VanDerWaalsContact CA-O 3.29Å; R241-C375 WeakPolarHBondContact CA-O 3.5Å; R241-M380 HydrophobicContact CG-SD 3.9Å; R241-C400 WeakPolarHBondContact CD-O 3.21Å; R241-C400 PolarHBondContact NH1-O 3.47Å; R241-L402 HydrophobicContact CB-CD2 4.13Å; R241-T429 PolarHBondContact NH1-OG1 3.28Å; R241-T429 PolarHBondContact NH2-OG1 2.86Å
242H98.9Very high95.9Very high3 Ų329.9 Ų29.91%0.01416%0.158CC..PPolyproline II helixtrans-48.2156.115758.380.4000111.4N248 R291 T292 C375 H376 L402H242-N248 PolarHBondContact CE1-OD1 3.41Å; H242-R291 HydrophobicContact CB-CB 3.9Å; H242-R291 HydrophobicContact CB-CG 3.89Å; H242-R291 WeakPolarHBondContact CB-O 3.29Å; H242-R291 PolarHBondContact CD2-NE 2.95Å; H242-R291 WeakPolarHBondContact NE2-CD 3.48Å; H242-R291 PolarHBondContact NE2-NE 3.38Å; H242-T292 HydrophobicContact CB-CG2 3.88Å; H242-C375 PolarHBondContact CD2-O 3.17Å; H242-C375 VanDerWaalsContact CD2-O 3.25Å; H242-C375 PolarHBondContact N-O 2.91Å; H242-H376 AromaticContact CD2-CE1 3.86Å; H242-H376 AromaticContact CD2-ND1 3.19Å; H242-H376 PolarHBondContact CD2-ND1 3.4Å; H242-H376 AromaticContact NE2-ND1 3.52Å; H242-L402 WeakPolarHBondContact O-CD2 3.39Å
243G98.8Very high96.7Very high0 Ų027.9 Ų27.90%015%0.148CC..SBendtrans-57.8159.3166.600000111.6S245 L259 T295G243-S245 PolarHBondContact O-N 2.65Å; G243-L259 WeakPolarHBondContact O-CD2 3.34Å; G243-T295 PolarHBondContact N-OG1 3.07Å
244E98.8Very high97.3Very high2 Ų225.7 Ų25.71%0.00914%0.138CC..PPolyproline II helixtrans-48.3130.9177.6-177.2-177.3-103.700111.7N248 V249 L259 T260 R262 G263 L402 H403 A426 V427E244-N248 HydrophobicContact CG-CB 4.27Å; E244-V249 HydrophobicContact CG-CG2 4.01Å; E244-L259 WeakPolarHBondContact O-CA 3.37Å; E244-T260 HydrophobicContact CG-CG2 4Å; E244-T260 PolarHBondContact O-N 3.01Å; E244-T260 PolarHBondContact O-OG1 2.96Å; E244-T260 PolarHBondContact OE2-OG1 3.19Å; E244-R262 VanDerWaalsContact CD-NH2 3.26Å; E244-R262 IonicContact OE1-CZ 3.29Å; E244-R262 IonicContact OE1-NE 3.61Å; E244-R262 IonicContact OE1-NH2 2.71Å; E244-R262 PolarHBondContact OE1-NH2 3.2Å; E244-R262 IonicContact OE2-CZ 3.4Å; E244-R262 IonicContact OE2-NE 3.07Å; E244-R262 PolarHBondContact OE2-NE 2.53Å; E244-R262 IonicContact OE2-NH2 2.69Å; E244-R262 PolarHBondContact OE2-NH2 2.75Å; E244-G263 WeakPolarHBondContact O-CA 3.35Å; E244-L402 HydrophobicContact CB-CD1 4.2Å; E244-L402 HydrophobicContact CG-CD1 4.26Å; E244-H403 PolarHBondContact N-NE2 3.32Å; E244-A426 WeakPolarHBondContact OE1-CA 3.36Å; E244-V427 HydrophobicContact CG-CG2 4.39Å; E244-V427 WeakPolarHBondContact OE1-CG2 3.27Å; E244-V427 PolarHBondContact OE1-N 2.91Å
245S98.8Very high97.9Very high2 Ų220.8 Ų20.81%0.01411%0.108CC..BIsolated β-bridgetrans-108.1161.5-179.869.20000112.4G243 L247 N248 V249 G258 T260G243-S245 PolarHBondContact O-N 2.65Å; S245-L247 VanDerWaalsContact C-N 3.26Å; S245-L247 PolarHBondContact O-N 2.8Å; S245-N248 PolarHBondContact N-OD1 2.98Å; S245-N248 WeakPolarHBondContact O-CB 3.45Å; S245-N248 PolarHBondContact O-N 3.11Å; S245-N248 PolarHBondContact OG-OD1 2.94Å; S245-V249 PolarHBondContact O-N 3.45Å; S245-G258 VanDerWaalsContact CA-O 3.26Å; S245-G258 WeakPolarHBondContact CA-O 3.27Å; S245-G258 WeakPolarHBondContact CB-O 3.49Å; S245-T260 WeakPolarHBondContact O-CG2 3.05Å
246E98.6Very high98.1Very high87 Ų8724.2 Ų24.241%0.40713%0.127SC..Hα-helixtrans-57.4-37.4-179-63.4-63.4154.600112.6K250 G258E246-K250 WeakPolarHBondContact O-CG 3.46Å; E246-K250 PolarHBondContact O-N 3.25Å; E246-G258 PolarHBondContact N-O 3.17Å; E246-G258 VanDerWaalsContact N-O 3.07Å
247L98.4Very high98.3Very high18 Ų1824.4 Ų24.49%0.09413%0.128CC..Hα-helixtrans-71.9-28.2175.4-70.1173.1000112.7S245 K250 G251 R252 G254 S257 E319S245-L247 VanDerWaalsContact C-N 3.26Å; S245-L247 PolarHBondContact O-N 2.8Å; L247-K250 CarbonylContact O-C 3.56Å; L247-K250 PolarHBondContact O-N 3.41Å; L247-G251 PolarHBondContact O-N 3.12Å; L247-R252 HydrophobicContact CB-CB 4.08Å; L247-R252 HydrophobicContact CD2-CB 3.71Å; L247-R252 HydrophobicContact CD2-CG 4.31Å; L247-R252 HydrophobicContact CG-CB 4.4Å; L247-R252 PolarHBondContact O-N 3.27Å; L247-G254 WeakPolarHBondContact CD1-O 3.33Å; L247-S257 WeakPolarHBondContact CG-OG 3.27Å; L247-S257 PolarHBondContact N-OG 3.38Å; L247-E319 HydrophobicContact CD1-CG 4.26Å
248N98.4Very high98.3Very high20 Ų2025 Ų2511%0.10713%0.134CC..Hα-helixtrans-63.3-45.2174.4-59.2138.2000111.1H242 E244 S245 K250 G251 L402 V427 T429H242-N248 PolarHBondContact CE1-OD1 3.41Å; E244-N248 HydrophobicContact CG-CB 4.27Å; S245-N248 PolarHBondContact N-OD1 2.98Å; S245-N248 WeakPolarHBondContact O-CB 3.45Å; S245-N248 PolarHBondContact O-N 3.11Å; S245-N248 PolarHBondContact OG-OD1 2.94Å; N248-K250 PolarHBondContact O-N 3.31Å; N248-G251 PolarHBondContact O-N 3.1Å; N248-L402 HydrophobicContact CB-CD1 4.35Å; N248-V427 HydrophobicContact CB-CG2 3.8Å; N248-T429 HydrophobicContact CB-CG2 4.18Å
249V98Very high98.3Very high18 Ų1825.1 Ų25.111%0.10914%0.135CC..Hα-helixtrans-59.3-36.4179.7174.40000111.5E244 S245 G251 T260 V427 Q454E244-V249 HydrophobicContact CG-CG2 4.01Å; S245-V249 PolarHBondContact O-N 3.45Å; V249-G251 VanDerWaalsContact C-N 3.31Å; V249-G251 PolarHBondContact O-N 3.07Å; V249-T260 HydrophobicContact CG2-CG2 3.75Å; V249-V427 HydrophobicContact CG2-CG1 4.45Å; V249-Q454 HydrophobicContact CG1-CB 3.9Å; V249-Q454 HydrophobicContact CG1-CG 4.01Å; V249-Q454 PolarHBondContact O-N 3.19Å
250K97.6Very high98.3Very high107 Ų10725.3 Ų25.347%0.46514%0.136SC..THydrogen-bonded Turntrans-83.33.9177.9-62.5177.9-179.3-178.90114.6E246 L247 N248 R252 H453E246-K250 WeakPolarHBondContact O-CG 3.46Å; E246-K250 PolarHBondContact O-N 3.25Å; L247-K250 CarbonylContact O-C 3.56Å; L247-K250 PolarHBondContact O-N 3.41Å; N248-K250 PolarHBondContact O-N 3.31Å; K250-R252 HydrophobicContact CB-CG 4.2Å; K250-R252 PolarHBondContact O-N 3.47Å; K250-H453 PolarHBondContact O-CD2 3.46Å
251G97.3Very high98.2Very high17 Ų1730.2 Ų30.218%0.17517%0.168CC..THydrogen-bonded Turntrans66.516.9-177.600000115.2L247 N248 V249L247-G251 PolarHBondContact O-N 3.12Å; N248-G251 PolarHBondContact O-N 3.1Å; V249-G251 VanDerWaalsContact C-N 3.31Å; V249-G251 PolarHBondContact O-N 3.07Å
252R98.4Very high98.2Very high69 Ų6933.6 Ų33.626%0.2618%0.181SC..BIsolated β-bridgetrans-92.9138.8-176.2-70.4176.1179.1-78.8-9.7111.8L247 K250 E319 M320 M321 E324L247-R252 HydrophobicContact CB-CB 4.08Å; L247-R252 HydrophobicContact CD2-CB 3.71Å; L247-R252 HydrophobicContact CD2-CG 4.31Å; L247-R252 HydrophobicContact CG-CB 4.4Å; L247-R252 PolarHBondContact O-N 3.27Å; K250-R252 HydrophobicContact CB-CG 4.2Å; K250-R252 PolarHBondContact O-N 3.47Å; R252-E319 VanDerWaalsContact CD-O 3.22Å; R252-E319 WeakPolarHBondContact CD-O 3.41Å; R252-E319 WeakPolarHBondContact CG-O 3.45Å; R252-E319 PolarHBondContact NH1-O 3.12Å; R252-M320 WeakPolarHBondContact CA-O 3.34Å; R252-M321 HydrophobicContact CG-CG 3.6Å; R252-E324 IonicContact CZ-OE1 3.44Å; R252-E324 IonicContact CZ-OE2 3.89Å; R252-E324 IonicContact NH1-OE1 2.77Å; R252-E324 PolarHBondContact NH1-OE1 3.25Å; R252-E324 IonicContact NH1-OE2 3.55Å; R252-E324 PolarHBondContact NH1-OE2 3.08Å; R252-E324 IonicContact NH2-OE1 3.49Å; R252-E324 PolarHBondContact NH2-OE1 3.32Å; R252-E324 IonicContact NH2-OE2 3.45Å; R252-E324 PolarHBondContact NH2-OE2 3.13Å
253I97.6Very high98.2Very high32 Ų3233.5 Ų33.516%0.16418%0.181CC..  trans-91.6158.2178.669.5173.4000111.7A314 C317 E319 M320 Y322 I325 Y345I253-A314 HydrophobicContact CD1-CB 3.67Å; I253-A314 HydrophobicContact CG1-CB 4.2Å; I253-C317 HydrophobicContact CD1-CB 4.42Å; I253-C317 WeakPolarHBondContact CG1-O 3.44Å; I253-E319 WeakPolarHBondContact O-CA 3.21Å; I253-E319 PolarHBondContact O-N 2.98Å; I253-M320 PolarHBondContact N-O 3.23Å; I253-Y322 HydrophobicContact CG2-CE1 4.4Å; I253-Y322 HydrophobicContact CG2-CE2 4.38Å; I253-I325 HydrophobicContact CD1-CD1 3.6Å; I253-I325 HydrophobicContact CG1-CD1 4.34Å; I253-Y345 HydrophobicContact CD1-CE2 4.48Å
254G96.3Very high98.2Very high16 Ų1639 Ų3917%0.16520%0.204CC..SBendtrans69.3-146.8175.300000114.5L247 E318L247-G254 WeakPolarHBondContact CD1-O 3.33Å; G254-E318 VanDerWaalsContact CA-OE2 3.29Å; G254-E318 WeakPolarHBondContact CA-OE2 3.44Å
255G97.1Very high98.2Very high7 Ų743.4 Ų43.47%0.07223%0.225CC..SBendtrans66.4-174.717900000114.5R291 E318G255-R291 PolarHBondContact O-NH1 3.06Å; G255-E318 PolarHBondContact N-OE2 2.97Å
256D98.3Very high98.2Very high83 Ų8343.3 Ų43.344%0.44422%0.224SC..  trans-129.442.5177.9-164.232.9000113.3M289 K290D256-M289 VanDerWaalsContact OD1-CA 3.25Å; D256-M289 WeakPolarHBondContact OD1-CA 3.13Å; D256-M289 WeakPolarHBondContact OD1-CB 3.25Å; D256-K290 PolarHBondContact OD1-N 3.48Å
257S98.3Very high98.2Very high21 Ų2139.2 Ų39.215%0.14721%0.206CC..  trans-67.6153.4176.774.90000113L247L247-S257 WeakPolarHBondContact CG-OG 3.27Å; L247-S257 PolarHBondContact N-OG 3.38Å
258G98.6Very high98.2Very high13 Ų1345 Ų4513%0.13423%0.23CC..  trans-83.7178.617700000113.6S245 E246S245-G258 VanDerWaalsContact CA-O 3.26Å; S245-G258 WeakPolarHBondContact CA-O 3.27Å; S245-G258 WeakPolarHBondContact CB-O 3.49Å; E246-G258 PolarHBondContact N-O 3.17Å; E246-G258 VanDerWaalsContact N-O 3.07Å
259L98.8Very high98.2Very high8 Ų847.7 Ų47.74%0.04224%0.241CC..BIsolated β-bridgetrans-71140.5177.7-61.7-177.2000113.1G243 E244 K264 A267 R291 Q294G243-L259 WeakPolarHBondContact O-CD2 3.34Å; E244-L259 WeakPolarHBondContact O-CA 3.37Å; L259-K264 HydrophobicContact CB-CG 3.94Å; L259-K264 HydrophobicContact CD1-CG 4.3Å; L259-A267 HydrophobicContact CD1-CB 4.5Å; L259-R291 HydrophobicContact CD2-CB 4.03Å; L259-Q294 HydrophobicContact CD1-CB 3.65Å; L259-Q294 HydrophobicContact CG-CB 3.87Å
260T98.8Very high98.3Very high4 Ų446.8 Ų46.83%0.02524%0.236CC..  trans-70.8172.2166.473.30000110.8E244 S245 V249 R262 G263 K264E244-T260 HydrophobicContact CG-CG2 4Å; E244-T260 PolarHBondContact O-N 3.01Å; E244-T260 PolarHBondContact O-OG1 2.96Å; E244-T260 PolarHBondContact OE2-OG1 3.19Å; S245-T260 WeakPolarHBondContact O-CG2 3.05Å; V249-T260 HydrophobicContact CG2-CG2 3.75Å; T260-R262 VanDerWaalsContact C-N 3.27Å; T260-R262 PolarHBondContact O-N 3.24Å; T260-R262 PolarHBondContact OG1-N 3.22Å; T260-G263 PolarHBondContact O-N 3.33Å; T260-G263 VanDerWaalsContact O-N 3.17Å; T260-G263 PolarHBondContact OG1-N 2.95Å; T260-K264 WeakPolarHBondContact O-CG 3.16Å; T260-K264 PolarHBondContact O-N 3.29Å
261P98.6Very high98.3Very high104 Ų10442.7 Ų42.768%0.67522%0.219SC*.Hα-helixtrans-54.4-41169.6-27.937000113.3K264 E265P261-K264 PolarHBondContact O-N 3.43Å; P261-E265 PolarHBondContact O-N 2.89Å
262R98.6Very high98.3Very high75 Ų7546.8 Ų46.828%0.28323%0.233SC..Hα-helixtrans-67.6-39.5175.6-63.7-167.8-63-169.6-4.5111.8E244 T260 K264 E265 F266 V424 D425E244-R262 VanDerWaalsContact CD-NH2 3.26Å; E244-R262 IonicContact OE1-CZ 3.29Å; E244-R262 IonicContact OE1-NE 3.61Å; E244-R262 IonicContact OE1-NH2 2.71Å; E244-R262 PolarHBondContact OE1-NH2 3.2Å; E244-R262 IonicContact OE2-CZ 3.4Å; E244-R262 IonicContact OE2-NE 3.07Å; E244-R262 PolarHBondContact OE2-NE 2.53Å; E244-R262 IonicContact OE2-NH2 2.69Å; E244-R262 PolarHBondContact OE2-NH2 2.75Å; T260-R262 VanDerWaalsContact C-N 3.27Å; T260-R262 PolarHBondContact O-N 3.24Å; T260-R262 PolarHBondContact OG1-N 3.22Å; R262-K264 VanDerWaalsContact C-N 3.31Å; R262-K264 PolarHBondContact O-N 3.03Å; R262-E265 WeakPolarHBondContact O-CB 3.03Å; R262-E265 PolarHBondContact O-N 3.46Å; R262-E265 VanDerWaalsContact O-N 3.15Å; R262-F266 PolarHBondContact O-N 3.18Å; R262-V424 HydrophobicContact CB-CG1 4.2Å; R262-V424 WeakPolarHBondContact O-CG1 3.18Å; R262-D425 WeakPolarHBondContact CD-O 3.42Å
263G98.8Very high98.2Very high0 Ų044.5 Ų44.50%023%0.225CC..Hα-helixtrans-60.5-39.1173.800000113.1E244 T260 F266 A267E244-G263 WeakPolarHBondContact O-CA 3.35Å; T260-G263 PolarHBondContact O-N 3.33Å; T260-G263 VanDerWaalsContact O-N 3.17Å; T260-G263 PolarHBondContact OG1-N 2.95Å; G263-F266 PolarHBondContact O-N 3.05Å; G263-A267 PolarHBondContact O-N 2.9Å
264K98.8Very high98.2Very high115 Ų11544 Ų4450%0.522%0.223SC..Hα-helixtrans-68.7-35.5173.9-67.6174.7-174.7174.40112.4L259 T260 P261 R262 A267 K268L259-K264 HydrophobicContact CB-CG 3.94Å; L259-K264 HydrophobicContact CD1-CG 4.3Å; T260-K264 WeakPolarHBondContact O-CG 3.16Å; T260-K264 PolarHBondContact O-N 3.29Å; P261-K264 PolarHBondContact O-N 3.43Å; R262-K264 VanDerWaalsContact C-N 3.31Å; R262-K264 PolarHBondContact O-N 3.03Å; K264-A267 PolarHBondContact O-N 2.94Å; K264-K268 WeakPolarHBondContact O-CG 3.31Å; K264-K268 PolarHBondContact O-N 2.94Å
265E98.7Very high98.1Very high95 Ų9549 Ų4944%0.44424%0.242SC..Hα-helixtrans-64.7-45.1173.1-174177-177.800111.4P261 R262 A267 K268 K269 V424P261-E265 PolarHBondContact O-N 2.89Å; R262-E265 WeakPolarHBondContact O-CB 3.03Å; R262-E265 PolarHBondContact O-N 3.46Å; R262-E265 VanDerWaalsContact O-N 3.15Å; E265-A267 VanDerWaalsContact C-N 3.31Å; E265-A267 PolarHBondContact O-N 3.32Å; E265-K268 WeakPolarHBondContact O-CB 3.01Å; E265-K268 PolarHBondContact O-N 3.03Å; E265-K268 VanDerWaalsContact O-N 3.16Å; E265-K269 WeakPolarHBondContact O-CG 3.34Å; E265-K269 PolarHBondContact O-N 3.32Å; E265-V424 HydrophobicContact CB-CG1 4.15Å; E265-V424 HydrophobicContact CG-CG1 4.24Å; E265-V424 HydrophobicContact CG-CG2 3.96Å
266F98.8Very high98Very high0 Ų053.5 Ų53.50%027%0.268CS..Hα-helixtrans-56-45.5172.6165.7-104.1000111.9C240 R262 G263 K268 K269 L270 T295 H403 L422 V424C240-F266 HydrophobicContact CB-CZ 4.35Å; R262-F266 PolarHBondContact O-N 3.18Å; G263-F266 PolarHBondContact O-N 3.05Å; F266-K268 VanDerWaalsContact C-N 3.27Å; F266-K268 PolarHBondContact O-N 3.15Å; F266-K269 CarbonylContact O-C 3.56Å; F266-K269 PolarHBondContact O-N 2.98Å; F266-K269 VanDerWaalsContact O-N 3.07Å; F266-L270 HydrophobicContact CE1-CD2 4.23Å; F266-L270 HydrophobicContact CE2-CB 4.46Å; F266-L270 HydrophobicContact CZ-CB 4.34Å; F266-L270 HydrophobicContact CZ-CD1 4.43Å; F266-L270 HydrophobicContact CZ-CD2 4.19Å; F266-L270 WeakPolarHBondContact O-CB 3.07Å; F266-L270 PolarHBondContact O-N 2.88Å; F266-T295 HydrophobicContact CD1-CG2 4.19Å; F266-T295 HydrophobicContact CE1-CG2 3.88Å; F266-H403 HydrophobicContact CB-CB 4.42Å; F266-H403 WeakPolarHBondContact CB-CD2 3.24Å; F266-H403 WeakPolarHBondContact CB-NE2 3.47Å; F266-H403 AromaticContact CD1-CD2 3.77Å; F266-H403 VanDerWaalsContact CD2-CA 3.4Å; F266-H403 HydrophobicContact CD2-CB 3.58Å; F266-H403 AromaticContact CD2-CD2 3.71Å; F266-H403 AromaticContact CD2-CG 3.75Å; F266-H403 HydrophobicContact CE2-CB 4.09Å; F266-H403 HydrophobicContact CG-CB 4.12Å; F266-H403 AromaticContact CG-CD2 3.29Å; F266-H403 WeakPolarHBondContact CG-CD2 3.35Å; F266-H403 AromaticContact CG-CG 3.74Å; F266-H403 AromaticContact CG-NE2 3.93Å; F266-L422 HydrophobicContact CD2-CB 4.22Å; F266-L422 HydrophobicContact CD2-CD1 3.99Å; F266-L422 HydrophobicContact CD2-CG 4.44Å; F266-L422 HydrophobicContact CE2-CB 4.33Å; F266-L422 HydrophobicContact CE2-CD1 3.54Å; F266-L422 HydrophobicContact CE2-CG 4.06Å; F266-L422 HydrophobicContact CZ-CD1 4.47Å; F266-V424 HydrophobicContact CB-CB 4.42Å; F266-V424 HydrophobicContact CB-CG1 4.44Å; F266-V424 HydrophobicContact CB-CG2 4.49Å
267A98.8Very high97.8Very high2 Ų252.8 Ų52.82%0.01726%0.262CS..Hα-helixtrans-58.4-39.217900000112.3L259 G263 K264 E265 L270 N271 T295 A298L259-A267 HydrophobicContact CD1-CB 4.5Å; G263-A267 PolarHBondContact O-N 2.9Å; K264-A267 PolarHBondContact O-N 2.94Å; E265-A267 VanDerWaalsContact C-N 3.31Å; E265-A267 PolarHBondContact O-N 3.32Å; A267-L270 PolarHBondContact O-N 2.66Å; A267-N271 PolarHBondContact O-N 3.31Å; A267-N271 VanDerWaalsContact O-N 3.11Å; A267-T295 HydrophobicContact CB-CG2 4.09Å; A267-A298 HydrophobicContact CB-CB 3.54Å
268K98.4Very high97.5Very high138 Ų13860.2 Ų60.260%0.629%0.294SS*.Hα-helixtrans-66.7-42.4173.5-67.2174.7-178.8179.30112.3K264 E265 F266 L270 N271 Q272K264-K268 WeakPolarHBondContact O-CG 3.31Å; K264-K268 PolarHBondContact O-N 2.94Å; E265-K268 WeakPolarHBondContact O-CB 3.01Å; E265-K268 PolarHBondContact O-N 3.03Å; E265-K268 VanDerWaalsContact O-N 3.16Å; F266-K268 VanDerWaalsContact C-N 3.27Å; F266-K268 PolarHBondContact O-N 3.15Å; K268-L270 VanDerWaalsContact C-N 3.33Å; K268-N271 WeakPolarHBondContact O-CB 3.36Å; K268-N271 PolarHBondContact O-N 3Å; K268-Q272 WeakPolarHBondContact O-CG 3.42Å; K268-Q272 PolarHBondContact O-N 3.26Å; K268-Q272 VanDerWaalsContact O-N 3.1Å
269K98.5Very high97.2Very high77 Ų7761.1 Ų61.134%0.33530%0.296SS..Hα-helixtrans-66-35.7176.5-68.9-69.3-172.4178.40112.1E265 F266 Q272 F273 L422 V424E265-K269 WeakPolarHBondContact O-CG 3.34Å; E265-K269 PolarHBondContact O-N 3.32Å; F266-K269 CarbonylContact O-C 3.56Å; F266-K269 PolarHBondContact O-N 2.98Å; F266-K269 VanDerWaalsContact O-N 3.07Å; K269-Q272 PolarHBondContact O-N 2.81Å; K269-F273 WeakPolarHBondContact O-CB 3.38Å; K269-F273 PolarHBondContact O-N 3.3Å; K269-L422 HydrophobicContact CB-CB 4.09Å; K269-L422 HydrophobicContact CB-CD1 4.33Å; K269-V424 HydrophobicContact CB-CG2 4.37Å; K269-V424 HydrophobicContact CG-CG2 3.72Å
270L98.7Very high96.8Very high0 Ų064.5 Ų64.50%032%0.32CS..Hα-helixtrans-63-44.1174.2-177.365.2000110.7F266 A267 K268 Q272 F273 I274 T295 L299 I374 V405 L422F266-L270 HydrophobicContact CE1-CD2 4.23Å; F266-L270 HydrophobicContact CE2-CB 4.46Å; F266-L270 HydrophobicContact CZ-CB 4.34Å; F266-L270 HydrophobicContact CZ-CD1 4.43Å; F266-L270 HydrophobicContact CZ-CD2 4.19Å; F266-L270 WeakPolarHBondContact O-CB 3.07Å; F266-L270 PolarHBondContact O-N 2.88Å; A267-L270 PolarHBondContact O-N 2.66Å; K268-L270 VanDerWaalsContact C-N 3.33Å; L270-Q272 PolarHBondContact O-N 2.72Å; L270-F273 HydrophobicContact CD1-CD1 4.45Å; L270-F273 PolarHBondContact O-N 3.21Å; L270-I274 HydrophobicContact CD1-CG1 4.32Å; L270-I274 HydrophobicContact CG-CG1 4.48Å; L270-I274 WeakPolarHBondContact O-CG1 2.85Å; L270-I274 PolarHBondContact O-N 3.34Å; L270-T295 HydrophobicContact CD2-CG2 3.95Å; L270-L299 HydrophobicContact CB-CD2 4.43Å; L270-L299 HydrophobicContact CD2-CD2 4.23Å; L270-L299 HydrophobicContact CG-CD2 4Å; L270-I374 HydrophobicContact CD2-CD1 4.04Å; L270-I374 HydrophobicContact CD2-CG1 4.34Å; L270-V405 HydrophobicContact CD1-CG2 3.53Å; L270-L422 VanDerWaalsContact CA-CD1 3.46Å; L270-L422 HydrophobicContact CB-CD1 3.9Å; L270-L422 HydrophobicContact CD1-CD1 3.95Å
271N97.9Very high96.4Very high21 Ų2172.6 Ų72.611%0.11236%0.357CS..Hα-helixtrans-58.3-48.9173.5-175.332.3000111.9A267 K268 F273 I274 Q275 A298 L299A267-N271 PolarHBondContact O-N 3.31Å; A267-N271 VanDerWaalsContact O-N 3.11Å; K268-N271 WeakPolarHBondContact O-CB 3.36Å; K268-N271 PolarHBondContact O-N 3Å; N271-F273 VanDerWaalsContact C-N 3.31Å; N271-F273 PolarHBondContact O-N 3.01Å; N271-I274 PolarHBondContact O-N 3.13Å; N271-Q275 WeakPolarHBondContact O-CG 3.32Å; N271-Q275 PolarHBondContact O-N 3.09Å; N271-Q275 PolarHBondContact OD1-NE2 3.04Å; N271-A298 WeakPolarHBondContact CB-O 3.5Å; N271-A298 PolarHBondContact ND2-O 3.32Å; N271-L299 VanDerWaalsContact CA-CD2 3.5Å; N271-L299 HydrophobicContact CB-CD2 3.86Å; N271-L299 PolarHBondContact OD1-O 3.34Å; N271-L299 VanDerWaalsContact OD1-O 3.12Å
272Q97.3Very high96.3Very high103 Ų10369.5 Ų69.548%0.48134%0.335SS..Hα-helixtrans-57.9-44.5176.9-69.9174.3-4.700111.8K268 K269 L270 Q275 T276K268-Q272 WeakPolarHBondContact O-CG 3.42Å; K268-Q272 PolarHBondContact O-N 3.26Å; K268-Q272 VanDerWaalsContact O-N 3.1Å; K269-Q272 PolarHBondContact O-N 2.81Å; L270-Q272 PolarHBondContact O-N 2.72Å; Q272-Q275 PolarHBondContact O-N 2.95Å; Q272-T276 VanDerWaalsContact O-CG2 3.24Å; Q272-T276 WeakPolarHBondContact O-CG2 3.18Å; Q272-T276 PolarHBondContact O-N 3.01Å; Q272-T276 VanDerWaalsContact O-N 3.09Å
273F97.6Very high96.3Very high21 Ų2169.5 Ų69.59%0.09234%0.337CS..Hα-helixtrans-61-49.4176.6169.8-100.8000111.8Y238 K269 L270 N271 Q275 T276 Q277 V405 I420 L422Y238-F273 HydrophobicContact CD1-CE1 4.14Å; Y238-F273 HydrophobicContact CE1-CE1 4.18Å; Y238-F273 HydrophobicContact CE1-CZ 4.25Å; K269-F273 WeakPolarHBondContact O-CB 3.38Å; K269-F273 PolarHBondContact O-N 3.3Å; L270-F273 HydrophobicContact CD1-CD1 4.45Å; L270-F273 PolarHBondContact O-N 3.21Å; N271-F273 VanDerWaalsContact C-N 3.31Å; N271-F273 PolarHBondContact O-N 3.01Å; F273-Q275 VanDerWaalsContact C-N 3.3Å; F273-Q275 PolarHBondContact O-N 2.81Å; F273-T276 PolarHBondContact O-N 3.01Å; F273-T276 VanDerWaalsContact O-N 3.15Å; F273-T276 PolarHBondContact O-OG1 3.4Å; F273-Q277 HydrophobicContact CD1-CG 4.45Å; F273-Q277 HydrophobicContact CD2-CG 4.42Å; F273-Q277 HydrophobicContact CE1-CG 3.96Å; F273-Q277 HydrophobicContact CE2-CG 3.91Å; F273-Q277 HydrophobicContact CZ-CG 3.67Å; F273-Q277 WeakPolarHBondContact O-CG 3.4Å; F273-Q277 PolarHBondContact O-N 3.45Å; F273-V405 HydrophobicContact CD1-CG2 4.3Å; F273-V405 HydrophobicContact CE1-CB 4.35Å; F273-V405 HydrophobicContact CE1-CG1 4.01Å; F273-V405 HydrophobicContact CE1-CG2 4.32Å; F273-I420 HydrophobicContact CD2-CG2 4.29Å; F273-I420 HydrophobicContact CE2-CD1 3.82Å; F273-I420 HydrophobicContact CE2-CG2 3.86Å; F273-I420 HydrophobicContact CZ-CD1 3.58Å; F273-I420 HydrophobicContact CZ-CG2 4.42Å; F273-L422 HydrophobicContact CB-CD1 4.29Å; F273-L422 HydrophobicContact CB-CD2 3.96Å; F273-L422 HydrophobicContact CD2-CD2 4.13Å; F273-L422 HydrophobicContact CG-CD2 3.95Å
274I95.9Very high96.2Very high21 Ų2169.8 Ų69.811%0.10834%0.339CS..Hα-helixtrans-62.2-39.4-179.4-68.4-61.9000111.5L270 N271 T276 Q277 I279 L282 L372L270-I274 HydrophobicContact CD1-CG1 4.32Å; L270-I274 HydrophobicContact CG-CG1 4.48Å; L270-I274 WeakPolarHBondContact O-CG1 2.85Å; L270-I274 PolarHBondContact O-N 3.34Å; N271-I274 PolarHBondContact O-N 3.13Å; I274-T276 VanDerWaalsContact C-N 3.35Å; I274-T276 PolarHBondContact O-N 3.21Å; I274-Q277 PolarHBondContact O-N 3.44Å; I274-I279 HydrophobicContact CD1-CD1 4.18Å; I274-L282 HydrophobicContact CD1-CD2 4.17Å; I274-L282 HydrophobicContact CG2-CD2 3.42Å; I274-L282 VanDerWaalsContact CG2-CD2 3.42Å; I274-L372 HydrophobicContact CD1-CD2 4Å; I274-L372 HydrophobicContact CG1-CD2 4.06Å
275Q94.7Very high96.2Very high122 Ų12264.4 Ų64.457%0.5732%0.315SS*.Hα-helixtrans-62.5-39175.1-71.7179.4-9.700112.5N271 Q272 F273 Q277 E278N271-Q275 WeakPolarHBondContact O-CG 3.32Å; N271-Q275 PolarHBondContact O-N 3.09Å; N271-Q275 PolarHBondContact OD1-NE2 3.04Å; Q272-Q275 PolarHBondContact O-N 2.95Å; F273-Q275 VanDerWaalsContact C-N 3.3Å; F273-Q275 PolarHBondContact O-N 2.81Å; Q275-Q277 VanDerWaalsContact C-N 3.27Å; Q275-Q277 PolarHBondContact O-N 2.98Å; Q275-E278 PolarHBondContact O-N 3.15Å
276T95.2Very high96.3Very high101 Ų10159.9 Ų59.962%0.6229%0.294SS*.Hα-helixtrans-74.8-16.3179.3640000113.6Q272 F273 I274 E278Q272-T276 VanDerWaalsContact O-CG2 3.24Å; Q272-T276 WeakPolarHBondContact O-CG2 3.18Å; Q272-T276 PolarHBondContact O-N 3.01Å; Q272-T276 VanDerWaalsContact O-N 3.09Å; F273-T276 PolarHBondContact O-N 3.01Å; F273-T276 VanDerWaalsContact O-N 3.15Å; F273-T276 PolarHBondContact O-OG1 3.4Å; I274-T276 VanDerWaalsContact C-N 3.35Å; I274-T276 PolarHBondContact O-N 3.21Å; T276-E278 VanDerWaalsContact C-N 3.32Å
277Q94Very high96.3Very high67 Ų6759.9 Ų59.931%0.31329%0.294SS..THydrogen-bonded Turntrans-79.5-13.8175.1-65.4-56.5-79.800113.1F273 I274 Q275 I279F273-Q277 HydrophobicContact CD1-CG 4.45Å; F273-Q277 HydrophobicContact CD2-CG 4.42Å; F273-Q277 HydrophobicContact CE1-CG 3.96Å; F273-Q277 HydrophobicContact CE2-CG 3.91Å; F273-Q277 HydrophobicContact CZ-CG 3.67Å; F273-Q277 WeakPolarHBondContact O-CG 3.4Å; F273-Q277 PolarHBondContact O-N 3.45Å; I274-Q277 PolarHBondContact O-N 3.44Å; Q275-Q277 VanDerWaalsContact C-N 3.27Å; Q275-Q277 PolarHBondContact O-N 2.98Å; Q277-I279 HydrophobicContact CB-CD1 3.6Å; Q277-I279 HydrophobicContact CB-CG1 3.47Å; Q277-I279 VanDerWaalsContact CB-CG1 3.47Å; Q277-I279 HydrophobicContact CG-CD1 4.24Å; Q277-I279 PolarHBondContact O-N 2.94Å
278E91.8Very high96.3Very high178 Ų17864 Ų6483%0.83231%0.313SS*.THydrogen-bonded Turntrans4942.5179.7-60.6-174.5161.100113.3Q275 T276 S280Q275-E278 PolarHBondContact O-N 3.15Å; T276-E278 VanDerWaalsContact C-N 3.32Å; E278-S280 PolarHBondContact O-N 2.69Å
279I92.4Very high96.3Very high32 Ų3258.8 Ų58.816%0.16429%0.291CS..  trans-75.6121-171.9-54158.6000110.2Y238 I274 Q277 L282 N370Y238-I279 HydrophobicContact CD2-CD1 4.22Å; Y238-I279 HydrophobicContact CE1-CD1 4.21Å; Y238-I279 HydrophobicContact CE2-CD1 3.49Å; Y238-I279 VanDerWaalsContact CE2-CD1 3.49Å; Y238-I279 HydrophobicContact CE2-CG1 4.29Å; Y238-I279 VanDerWaalsContact CZ-CD1 3.47Å; Y238-I279 WeakPolarHBondContact OH-CD1 3.22Å; I274-I279 HydrophobicContact CD1-CD1 4.18Å; Q277-I279 HydrophobicContact CB-CD1 3.6Å; Q277-I279 HydrophobicContact CB-CG1 3.47Å; Q277-I279 VanDerWaalsContact CB-CG1 3.47Å; Q277-I279 HydrophobicContact CG-CD1 4.24Å; Q277-I279 PolarHBondContact O-N 2.94Å; I279-L282 HydrophobicContact CB-CB 4.21Å; I279-L282 HydrophobicContact CD1-CD1 4.35Å; I279-L282 HydrophobicContact CD1-CD2 4.13Å; I279-L282 HydrophobicContact CG2-CB 3.96Å; I279-L282 HydrophobicContact CG2-CD1 4.15Å; I279-N370 HydrophobicContact CG2-CB 3.53Å
280S90Very high96.3Very high79 Ų7960 Ų6055%0.55230%0.297SS*.THydrogen-bonded Turntrans-68.9134.9173.858.60000111.6E278 L282 N370E278-S280 PolarHBondContact O-N 2.69Å; S280-L282 PolarHBondContact O-N 3.12Å; S280-L282 VanDerWaalsContact O-N 3.11Å; S280-N370 PolarHBondContact O-ND2 3.4Å
281E91.1Very high96.3Very high173 Ų17360.4 Ų60.481%0.80830%0.298SS*.THydrogen-bonded Turntrans50.835.8172.9-56.5-165.2125.200114.7K283E281-K283 PolarHBondContact O-N 2.93Å
282L96Very high96.3Very high39 Ų3959.4 Ų59.420%0.20429%0.293CS..  trans-60.6120179.1-179.967.1000111.4Y238 I274 I279 S280 V284 N370 L372Y238-L282 HydrophobicContact CD2-CD1 4.44Å; I274-L282 HydrophobicContact CD1-CD2 4.17Å; I274-L282 HydrophobicContact CG2-CD2 3.42Å; I274-L282 VanDerWaalsContact CG2-CD2 3.42Å; I279-L282 HydrophobicContact CB-CB 4.21Å; I279-L282 HydrophobicContact CD1-CD1 4.35Å; I279-L282 HydrophobicContact CD1-CD2 4.13Å; I279-L282 HydrophobicContact CG2-CB 3.96Å; I279-L282 HydrophobicContact CG2-CD1 4.15Å; S280-L282 PolarHBondContact O-N 3.12Å; S280-L282 VanDerWaalsContact O-N 3.11Å; L282-V284 HydrophobicContact CD2-CG2 4.4Å; L282-V284 HydrophobicContact CG-CG2 4.4Å; L282-N370 HydrophobicContact CD1-CB 4.3Å; L282-L372 HydrophobicContact CD1-CB 4.02Å; L282-L372 HydrophobicContact CD2-CB 4.32Å; L282-L372 HydrophobicContact CG-CB 4.44Å
283K97.9Very high96.4Very high76 Ų7655.6 Ų55.633%0.3328%0.276SS..EExtended strand (participates in β ladder)trans-88139.7167.6-64.2-172.7177.7-176.80110.5E281 Q368 N370 V371 L372E281-K283 PolarHBondContact O-N 2.93Å; K283-Q368 HydrophobicContact CD-CG 4.31Å; K283-N370 PolarHBondContact N-O 2.75Å; K283-V371 HydrophobicContact CB-CG2 4.42Å; K283-V371 CarbonylContact O-C 3.55Å; K283-V371 WeakPolarHBondContact O-CA 3.5Å; K283-L372 PolarHBondContact O-N 3.06Å
284V98.6Very high96.5Very high6 Ų657 Ų574%0.03628%0.282CS..EExtended strand (participates in β ladder)trans-117.7124.2177.8-175.90000109.6L282 A296 L299 Y303 E304 L372 I374L282-V284 HydrophobicContact CD2-CG2 4.4Å; L282-V284 HydrophobicContact CG-CG2 4.4Å; V284-A296 HydrophobicContact CG1-CB 4.45Å; V284-L299 HydrophobicContact CG1-CD1 3.87Å; V284-L299 HydrophobicContact CG2-CD1 4.11Å; V284-Y303 CarbonylContact O-C 3.56Å; V284-Y303 WeakPolarHBondContact O-CA 3.39Å; V284-Y303 WeakPolarHBondContact O-CB 3.26Å; V284-E304 PolarHBondContact O-N 3.19Å; V284-L372 CarbonylContact C-O 3.49Å; V284-L372 WeakPolarHBondContact CA-O 3.48Å; V284-L372 HydrophobicContact CG1-CD2 4.29Å; V284-L372 HydrophobicContact CG2-CB 4.44Å; V284-L372 HydrophobicContact CG2-CD2 4.37Å; V284-I374 HydrophobicContact CG1-CD1 4.14Å
285W98.9Very high96.6Very high1 Ų156 Ų560%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-117.3141.8176.3-58.1-21.1000111.6E304 W306 L309 V361 E364 L365 Q368 V371 L372 V373 I374W285-E304 WeakPolarHBondContact CA-O 3.47Å; W285-W306 AromaticContact CD1-NE1 3.97Å; W285-L309 HydrophobicContact CB-CD1 4Å; W285-V361 HydrophobicContact CE3-CG1 4.48Å; W285-V361 HydrophobicContact CZ3-CG1 4.25Å; W285-E364 HydrophobicContact CH2-CB 3.76Å; W285-E364 HydrophobicContact CH2-CG 3.34Å; W285-E364 HydrophobicContact CZ2-CB 4.42Å; W285-E364 HydrophobicContact CZ2-CG 3.53Å; W285-E364 HydrophobicContact CZ3-CB 4.38Å; W285-E364 HydrophobicContact CZ3-CG 4.33Å; W285-L365 HydrophobicContact CE3-CD2 4.14Å; W285-L365 HydrophobicContact CH2-CD2 3.9Å; W285-L365 HydrophobicContact CH2-CG 4.27Å; W285-L365 HydrophobicContact CZ3-CD2 3.4Å; W285-L365 HydrophobicContact CZ3-CG 3.68Å; W285-Q368 HydrophobicContact CH2-CG 4.01Å; W285-Q368 HydrophobicContact CZ2-CG 3.78Å; W285-V371 HydrophobicContact CD2-CG1 3.75Å; W285-V371 HydrophobicContact CE3-CG1 3.85Å; W285-V371 HydrophobicContact CG-CG1 4.31Å; W285-V371 HydrophobicContact CH2-CG1 4.12Å; W285-V371 HydrophobicContact CH2-CG2 4.41Å; W285-V371 HydrophobicContact CZ2-CG1 4.1Å; W285-V371 HydrophobicContact CZ2-CG2 4.39Å; W285-V371 HydrophobicContact CZ3-CG1 4.05Å; W285-L372 PolarHBondContact N-O 3.2Å; W285-V373 HydrophobicContact CE3-CG2 3.92Å; W285-I374 PolarHBondContact O-N 2.75Å
286T98.9Very high96.8Very high0 Ų050.2 Ų50.20%025%0.25CS..EExtended strand (participates in β ladder)trans-129.7163.4175.5630000110.7A296 Y303 E304 W306 I374T286-A296 HydrophobicContact CG2-CB 3.39Å; T286-Y303 HydrophobicContact CG2-CD2 3.94Å; T286-Y303 HydrophobicContact CG2-CG 4.41Å; T286-E304 PolarHBondContact N-O 3.47Å; T286-E304 PolarHBondContact OG1-O 3.41Å; T286-W306 PolarHBondContact O-N 3.22Å; T286-I374 WeakPolarHBondContact CA-O 3.4Å; T286-I374 HydrophobicContact CG2-CB 4.33Å
287S98.9Very high96.9Very high0 Ų050.5 Ų50.50%025%0.245CC..  trans-74.4176160.484.50000111.5M289 T292 W306 L309 N310 H376S287-M289 PolarHBondContact O-N 2.81Å; S287-M289 WeakPolarHBondContact OG-CB 3.39Å; S287-M289 PolarHBondContact OG-N 2.79Å; S287-T292 PolarHBondContact N-OG1 2.84Å; S287-T292 PolarHBondContact O-OG1 2.7Å; S287-T292 PolarHBondContact OG-OG1 2.8Å; S287-W306 WeakPolarHBondContact CA-O 3.24Å; S287-L309 VanDerWaalsContact CB-C 3.41Å; S287-L309 WeakPolarHBondContact CB-O 3.15Å; S287-N310 WeakPolarHBondContact CB-OD1 3.41Å; S287-H376 VanDerWaalsContact CB-NE2 3.33Å; S287-H376 WeakPolarHBondContact CB-NE2 3.3Å; S287-H376 PolarHBondContact OG-NE2 2.89Å
288Q98.8Very high97.1Very high90 Ų9048.5 Ų48.542%0.42124%0.24SC..SBendtrans-82.31171.1-71.3-175.5-21.700113.7I293 Q305 K307 N310Q288-I293 WeakPolarHBondContact O-CD1 3.34Å; Q288-Q305 HydrophobicContact CG-CB 4.16Å; Q288-K307 HydrophobicContact CG-CB 4.3Å; Q288-N310 PolarHBondContact N-OD1 2.92Å
289M98.8Very high97.2Very high28 Ų2840.6 Ų40.614%0.13820%0.203CC..SBendtrans-80.4139.7179.3-66.5171156.700111.3D256 S287 R291 T292 I293 N310 E311 H376D256-M289 VanDerWaalsContact OD1-CA 3.25Å; D256-M289 WeakPolarHBondContact OD1-CA 3.13Å; D256-M289 WeakPolarHBondContact OD1-CB 3.25Å; S287-M289 PolarHBondContact O-N 2.81Å; S287-M289 WeakPolarHBondContact OG-CB 3.39Å; S287-M289 PolarHBondContact OG-N 2.79Å; M289-R291 VanDerWaalsContact C-N 3.26Å; M289-R291 HydrophobicContact CB-CG 4.46Å; M289-R291 PolarHBondContact O-N 3.29Å; M289-R291 VanDerWaalsContact O-N 3.12Å; M289-R291 PolarHBondContact SD-NH2 3.32Å; M289-T292 PolarHBondContact O-N 2.68Å; M289-T292 PolarHBondContact O-OG1 2.78Å; M289-I293 PolarHBondContact O-N 3.49Å; M289-N310 HydrophobicContact CE-CB 4.07Å; M289-N310 HydrophobicContact SD-CB 4.22Å; M289-E311 HydrophobicContact CE-CB 4.11Å; M289-E311 HydrophobicContact SD-CB 3.87Å; M289-E311 PolarHBondContact SD-N 2.71Å; M289-E311 VanDerWaalsContact SD-N 3.45Å; M289-H376 PolarHBondContact SD-CE1 3.2Å; M289-H376 PolarHBondContact SD-NE2 3.14Å
290K98.6Very high97Very high103 Ų10345.8 Ų45.845%0.44823%0.231SC..Hα-helixtrans-50.6-43.3-172.9-175.3174.3-178.3174.40112.9D256 T292 I293 Q294D256-K290 PolarHBondContact OD1-N 3.48Å; K290-T292 PolarHBondContact O-N 3.18Å; K290-I293 PolarHBondContact O-N 3.4Å; K290-Q294 HydrophobicContact CG-CG 4.11Å; K290-Q294 WeakPolarHBondContact O-CB 3.12Å; K290-Q294 VanDerWaalsContact O-CG 3.24Å; K290-Q294 WeakPolarHBondContact O-CG 3.29Å; K290-Q294 PolarHBondContact O-N 3.38Å
291R98.8Very high97Very high7 Ų744.1 Ų44.13%0.02622%0.222CC..Hα-helixtrans-61.9-38-179.558.3-167.4-177.7-94.25.6114.4H242 G255 L259 M289 T295 H376H242-R291 HydrophobicContact CB-CB 3.9Å; H242-R291 HydrophobicContact CB-CG 3.89Å; H242-R291 WeakPolarHBondContact CB-O 3.29Å; H242-R291 PolarHBondContact CD2-NE 2.95Å; H242-R291 WeakPolarHBondContact NE2-CD 3.48Å; H242-R291 PolarHBondContact NE2-NE 3.38Å; G255-R291 PolarHBondContact O-NH1 3.06Å; L259-R291 HydrophobicContact CD2-CB 4.03Å; M289-R291 VanDerWaalsContact C-N 3.26Å; M289-R291 HydrophobicContact CB-CG 4.46Å; M289-R291 PolarHBondContact O-N 3.29Å; M289-R291 VanDerWaalsContact O-N 3.12Å; M289-R291 PolarHBondContact SD-NH2 3.32Å; R291-T295 PolarHBondContact O-N 3.44Å; R291-T295 PolarHBondContact O-OG1 2.89Å; R291-H376 VanDerWaalsContact CZ-CE1 3.4Å; R291-H376 PolarHBondContact NE-CE1 2.88Å; R291-H376 PolarHBondContact NE-ND1 2.9Å; R291-H376 PolarHBondContact NH2-CE1 3.14Å; R291-H376 VanDerWaalsContact NH2-CE1 3.26Å; R291-H376 PolarHBondContact NH2-ND1 3.21Å
292T98.9Very high97.2Very high0 Ų041.7 Ų41.70%022%0.222CC..Hα-helixtrans-74.3-39.417654.80000111H242 S287 M289 K290 T295 A296 I374H242-T292 HydrophobicContact CB-CG2 3.88Å; S287-T292 PolarHBondContact N-OG1 2.84Å; S287-T292 PolarHBondContact O-OG1 2.7Å; S287-T292 PolarHBondContact OG-OG1 2.8Å; M289-T292 PolarHBondContact O-N 2.68Å; M289-T292 PolarHBondContact O-OG1 2.78Å; K290-T292 PolarHBondContact O-N 3.18Å; T292-T295 WeakPolarHBondContact O-CB 3.26Å; T292-T295 PolarHBondContact O-N 3Å; T292-A296 PolarHBondContact O-N 3.28Å; T292-I374 WeakPolarHBondContact CB-O 3.34Å; T292-I374 HydrophobicContact CG2-CG2 4.26Å; T292-I374 VanDerWaalsContact CG2-O 3.3Å; T292-I374 WeakPolarHBondContact CG2-O 3.46Å
293I98.8Very high97.3Very high24 Ų2442.9 Ų42.912%0.12322%0.224CC..Hα-helixtrans-61.2-52.5177.8-65.1170.4000110.3Q288 M289 K290 T295 A296 E297 Y303 Q305Q288-I293 WeakPolarHBondContact O-CD1 3.34Å; M289-I293 PolarHBondContact O-N 3.49Å; K290-I293 PolarHBondContact O-N 3.4Å; I293-T295 PolarHBondContact O-N 3.33Å; I293-A296 PolarHBondContact O-N 3Å; I293-E297 HydrophobicContact CG2-CG 4.37Å; I293-E297 WeakPolarHBondContact O-CG 3.27Å; I293-E297 PolarHBondContact O-N 2.88Å; I293-Y303 HydrophobicContact CG2-CE2 4.35Å; I293-Y303 WeakPolarHBondContact CG2-OH 3.37Å; I293-Q305 HydrophobicContact CG1-CG 4.39Å
294Q98.8Very high97.3Very high49 Ų4943.6 Ų43.623%0.22923%0.228CC..Hα-helixtrans-60-30.1177.8-72.8-177.6-28.700113.3L259 K290L259-Q294 HydrophobicContact CD1-CB 3.65Å; L259-Q294 HydrophobicContact CG-CB 3.87Å; K290-Q294 HydrophobicContact CG-CG 4.11Å; K290-Q294 WeakPolarHBondContact O-CB 3.12Å; K290-Q294 VanDerWaalsContact O-CG 3.24Å; K290-Q294 WeakPolarHBondContact O-CG 3.29Å; K290-Q294 PolarHBondContact O-N 3.38Å
295T98.8Very high97.3Very high0 Ų047.6 Ų47.60%025%0.247CC..Hα-helixtrans-70.6-43.7174.9-55.90000110.5G243 F266 A267 L270 R291 T292 I293 A298 I374G243-T295 PolarHBondContact N-OG1 3.07Å; F266-T295 HydrophobicContact CD1-CG2 4.19Å; F266-T295 HydrophobicContact CE1-CG2 3.88Å; A267-T295 HydrophobicContact CB-CG2 4.09Å; L270-T295 HydrophobicContact CD2-CG2 3.95Å; R291-T295 PolarHBondContact O-N 3.44Å; R291-T295 PolarHBondContact O-OG1 2.89Å; T292-T295 WeakPolarHBondContact O-CB 3.26Å; T292-T295 PolarHBondContact O-N 3Å; I293-T295 PolarHBondContact O-N 3.33Å; T295-A298 PolarHBondContact O-N 3.11Å; T295-I374 HydrophobicContact CG2-CD1 4.22Å; T295-I374 HydrophobicContact CG2-CG2 3.91Å
296A98.6Very high97.3Very high1 Ų150.2 Ų50.21%0.00826%0.257CS..Hα-helixtrans-70.6-33.2178.800000113.5V284 T286 T292 I293 A298 L299 Y303 I374V284-A296 HydrophobicContact CG1-CB 4.45Å; T286-A296 HydrophobicContact CG2-CB 3.39Å; T292-A296 PolarHBondContact O-N 3.28Å; I293-A296 PolarHBondContact O-N 3Å; A296-A298 PolarHBondContact O-N 3.47Å; A296-A298 VanDerWaalsContact O-N 3.14Å; A296-L299 VanDerWaalsContact O-CB 3.28Å; A296-L299 WeakPolarHBondContact O-CB 3.33Å; A296-L299 WeakPolarHBondContact O-CG 3.37Å; A296-L299 PolarHBondContact O-N 3.15Å; A296-Y303 HydrophobicContact CB-CD1 3.81Å; A296-Y303 HydrophobicContact CB-CD2 4.2Å; A296-Y303 HydrophobicContact CB-CE1 4.19Å; A296-Y303 HydrophobicContact CB-CG 3.82Å; A296-I374 HydrophobicContact CB-CD1 3.86Å
297E98.2Very high97.3Very high107 Ų10757.1 Ų57.150%0.529%0.287SS..Hα-helixtrans-55.5-30.7175.5-76.2173.7167.700112.4I293 L299 Y303I293-E297 HydrophobicContact CG2-CG 4.37Å; I293-E297 WeakPolarHBondContact O-CG 3.27Å; I293-E297 PolarHBondContact O-N 2.88Å; E297-L299 VanDerWaalsContact C-N 3.26Å; E297-L299 PolarHBondContact O-N 3.4Å; E297-Y303 HydrophobicContact CG-CE1 4.3Å
298A96.9Very high97.3Very high26 Ų2659.3 Ų59.322%0.21530%0.3CS..THydrogen-bonded Turntrans-72.5-15.2177.500000114.2A267 N271 T295 A296 N300A267-A298 HydrophobicContact CB-CB 3.54Å; N271-A298 WeakPolarHBondContact CB-O 3.5Å; N271-A298 PolarHBondContact ND2-O 3.32Å; T295-A298 PolarHBondContact O-N 3.11Å; A296-A298 PolarHBondContact O-N 3.47Å; A296-A298 VanDerWaalsContact O-N 3.14Å; A298-N300 VanDerWaalsContact C-N 3.31Å
299L94.8Very high97.3Very high11 Ų1155 Ų556%0.05828%0.28CS..THydrogen-bonded Turntrans-75.5-19179.3-57.9-178.6000112.9L270 N271 V284 A296 E297 A301 L372 I374L270-L299 HydrophobicContact CB-CD2 4.43Å; L270-L299 HydrophobicContact CD2-CD2 4.23Å; L270-L299 HydrophobicContact CG-CD2 4Å; N271-L299 VanDerWaalsContact CA-CD2 3.5Å; N271-L299 HydrophobicContact CB-CD2 3.86Å; N271-L299 PolarHBondContact OD1-O 3.34Å; N271-L299 VanDerWaalsContact OD1-O 3.12Å; V284-L299 HydrophobicContact CG1-CD1 3.87Å; V284-L299 HydrophobicContact CG2-CD1 4.11Å; A296-L299 VanDerWaalsContact O-CB 3.28Å; A296-L299 WeakPolarHBondContact O-CB 3.33Å; A296-L299 WeakPolarHBondContact O-CG 3.37Å; A296-L299 PolarHBondContact O-N 3.15Å; E297-L299 VanDerWaalsContact C-N 3.26Å; E297-L299 PolarHBondContact O-N 3.4Å; L299-A301 HydrophobicContact CB-CB 4.3Å; L299-A301 PolarHBondContact O-N 3.28Å; L299-L372 HydrophobicContact CD1-CD2 3.8Å; L299-I374 HydrophobicContact CD1-CD1 4.05Å
300N87.4Confident97.3Very high141 Ų14155.1 Ų55.175%0.75428%0.281SS*.THydrogen-bonded Turntrans52.731.9-171.7-54.4-57.4000113.4A298A298-N300 VanDerWaalsContact C-N 3.31Å
301A89.8Confident97.3Very high44 Ų4451.4 Ų51.436%0.36427%0.265SS..SBendtrans-123.7153.2178.600000109.9L299L299-A301 HydrophobicContact CB-CB 4.3Å; L299-A301 PolarHBondContact O-N 3.28Å
302P96.1Very high97.3Very high123 Ų12352 Ų5280%0.79927%0.269SS*.  trans-62.1140.6172.927.9-34000110.1
303Y98.3Very high97.3Very high64 Ų6455.2 Ų55.225%0.25129%0.286SS..  trans-138.7153.8176.163.5-92.2000110.6V284 T286 I293 A296 E297 Q305V284-Y303 CarbonylContact O-C 3.56Å; V284-Y303 WeakPolarHBondContact O-CA 3.39Å; V284-Y303 WeakPolarHBondContact O-CB 3.26Å; T286-Y303 HydrophobicContact CG2-CD2 3.94Å; T286-Y303 HydrophobicContact CG2-CG 4.41Å; I293-Y303 HydrophobicContact CG2-CE2 4.35Å; I293-Y303 WeakPolarHBondContact CG2-OH 3.37Å; A296-Y303 HydrophobicContact CB-CD1 3.81Å; A296-Y303 HydrophobicContact CB-CD2 4.2Å; A296-Y303 HydrophobicContact CB-CE1 4.19Å; A296-Y303 HydrophobicContact CB-CG 3.82Å; E297-Y303 HydrophobicContact CG-CE1 4.3Å; Y303-Q305 HydrophobicContact CD2-CG 4.12Å; Y303-Q305 HydrophobicContact CE2-CG 3.81Å
304E98.6Very high97.3Very high91 Ų9154.3 Ų54.343%0.42528%0.282SS..EExtended strand (participates in β ladder)trans-108.1136178.3-62173.9-142.300110.5V284 W285 T286 W306V284-E304 PolarHBondContact O-N 3.19Å; W285-E304 WeakPolarHBondContact CA-O 3.47Å; T286-E304 PolarHBondContact N-O 3.47Å; T286-E304 PolarHBondContact OG1-O 3.41Å; E304-W306 PolarHBondContact OE2-NE1 2.85Å
305Q98.7Very high97.2Very high90 Ų9052.7 Ų52.742%0.42128%0.279SS..EExtended strand (participates in β ladder)trans-99.9121.1178.9-58.6-179.12400110.5Q288 I293 Y303Q288-Q305 HydrophobicContact CG-CB 4.16Å; I293-Q305 HydrophobicContact CG1-CG 4.39Å; Y303-Q305 HydrophobicContact CD2-CG 4.12Å; Y303-Q305 HydrophobicContact CE2-CG 3.81Å
306W98.7Very high97.2Very high56 Ų5654.9 Ų54.921%0.21229%0.292CS..  trans-115.5113.6-177.3-69.855.9000109.2W285 T286 S287 E304 V308 L309 V361 E364W285-W306 AromaticContact CD1-NE1 3.97Å; T286-W306 PolarHBondContact O-N 3.22Å; S287-W306 WeakPolarHBondContact CA-O 3.24Å; E304-W306 PolarHBondContact OE2-NE1 2.85Å; W306-V308 HydrophobicContact CB-CG2 4.09Å; W306-V308 HydrophobicContact CE3-CG2 3.82Å; W306-V308 PolarHBondContact O-N 3.19Å; W306-L309 HydrophobicContact CB-CB 4.29Å; W306-L309 HydrophobicContact CB-CD1 3.95Å; W306-L309 HydrophobicContact CB-CG 4.04Å; W306-L309 HydrophobicContact CG-CD1 4.45Å; W306-L309 WeakPolarHBondContact O-CB 3.19Å; W306-L309 PolarHBondContact O-N 2.88Å; W306-V361 HydrophobicContact CE3-CG2 4.23Å; W306-E364 HydrophobicContact CH2-CB 4.01Å; W306-E364 HydrophobicContact CH2-CG 3.78Å; W306-E364 HydrophobicContact CZ2-CG 4.26Å; W306-E364 HydrophobicContact CZ3-CB 4.5Å
307K98.6Very high97.1Very high145 Ų14554.8 Ų54.863%0.6329%0.291SS*.G310 helixtrans-57.9-34.2177.3-171.5178.3177.6-176.40112.2Q288 L309 N310Q288-K307 HydrophobicContact CG-CB 4.3Å; K307-L309 PolarHBondContact O-N 3.21Å; K307-L309 VanDerWaalsContact O-N 3.15Å; K307-N310 VanDerWaalsContact O-CB 3.27Å; K307-N310 WeakPolarHBondContact O-CB 3.32Å; K307-N310 VanDerWaalsContact O-CG 3.23Å; K307-N310 PolarHBondContact O-N 3.42Å; K307-N310 PolarHBondContact O-OD1 2.91Å
308V98.5Very high97.1Very high45 Ų4552.4 Ų52.427%0.27328%0.28SS..G310 helixtrans-64.5-12.7176.6-65.40000113.5W306 R357 L358 V361W306-V308 HydrophobicContact CB-CG2 4.09Å; W306-V308 HydrophobicContact CE3-CG2 3.82Å; W306-V308 PolarHBondContact O-N 3.19Å; V308-R357 HydrophobicContact CB-CG 4.17Å; V308-R357 HydrophobicContact CG1-CG 4.25Å; V308-R357 PolarHBondContact O-NH1 2.8Å; V308-L358 WeakPolarHBondContact O-CD2 3.41Å; V308-V361 HydrophobicContact CB-CG2 4.42Å; V308-V361 HydrophobicContact CG2-CG2 3.56Å
309L98.9Very high97.2Very high0 Ų056.2 Ų56.20%029%0.293CS..G310 helixtrans-911.6171.4-75.5176.8000113.6W285 S287 W306 K307 L358 V361 V373 H376 V379 L383W285-L309 HydrophobicContact CB-CD1 4Å; S287-L309 VanDerWaalsContact CB-C 3.41Å; S287-L309 WeakPolarHBondContact CB-O 3.15Å; W306-L309 HydrophobicContact CB-CB 4.29Å; W306-L309 HydrophobicContact CB-CD1 3.95Å; W306-L309 HydrophobicContact CB-CG 4.04Å; W306-L309 HydrophobicContact CG-CD1 4.45Å; W306-L309 WeakPolarHBondContact O-CB 3.19Å; W306-L309 PolarHBondContact O-N 2.88Å; K307-L309 PolarHBondContact O-N 3.21Å; K307-L309 VanDerWaalsContact O-N 3.15Å; L309-L358 HydrophobicContact CD2-CD2 4.01Å; L309-V361 HydrophobicContact CD2-CG1 3.95Å; L309-V361 HydrophobicContact CD2-CG2 4.08Å; L309-V361 HydrophobicContact CG-CG2 4.2Å; L309-V373 HydrophobicContact CD1-CG1 3.82Å; L309-V373 HydrophobicContact CD2-CG1 4Å; L309-H376 PolarHBondContact O-CD2 2.97Å; L309-H376 VanDerWaalsContact O-CD2 3.23Å; L309-V379 HydrophobicContact CD2-CG1 3.77Å; L309-L383 HydrophobicContact CD2-CD1 4.48Å
310N98.9Very high97.3Very high30 Ų3057.6 Ų57.616%0.1630%0.3CS..SBendtrans-58.9149.3174.2-74.37000110.8S287 Q288 M289 K307 R357 V379S287-N310 WeakPolarHBondContact CB-OD1 3.41Å; Q288-N310 PolarHBondContact N-OD1 2.92Å; M289-N310 HydrophobicContact CE-CB 4.07Å; M289-N310 HydrophobicContact SD-CB 4.22Å; K307-N310 VanDerWaalsContact O-CB 3.27Å; K307-N310 WeakPolarHBondContact O-CB 3.32Å; K307-N310 VanDerWaalsContact O-CG 3.23Å; K307-N310 PolarHBondContact O-N 3.42Å; K307-N310 PolarHBondContact O-OD1 2.91Å; N310-R357 PolarHBondContact O-NH1 3.44Å; N310-R357 PolarHBondContact O-NH2 3.47Å; N310-V379 VanDerWaalsContact O-CG2 3.24Å; N310-V379 WeakPolarHBondContact O-CG2 3.43Å
311E98.8Very high97.9Very high26 Ų2652.9 Ų52.912%0.12127%0.274CS..PPolyproline II helixtrans-56158.5177.9-172.856.2-56.400111.3M289 D313 R357 H376 Q377 A378 V379M289-E311 HydrophobicContact CE-CB 4.11Å; M289-E311 HydrophobicContact SD-CB 3.87Å; M289-E311 PolarHBondContact SD-N 2.71Å; M289-E311 VanDerWaalsContact SD-N 3.45Å; E311-D313 PolarHBondContact O-N 3.43Å; E311-R357 PolarHBondContact O-NH2 3.31Å; E311-H376 HydrophobicContact CB-CB 3.77Å; E311-H376 HydrophobicContact CG-CB 3.91Å; E311-H376 PolarHBondContact N-CD2 2.84Å; E311-H376 VanDerWaalsContact N-CD2 3.34Å; E311-H376 WeakPolarHBondContact OE1-CB 3.39Å; E311-H376 WeakPolarHBondContact OE2-CB 3.39Å; E311-Q377 PolarHBondContact OE2-N 3.45Å; E311-A378 WeakPolarHBondContact OE1-CB 3.19Å; E311-A378 PolarHBondContact OE1-N 3.43Å; E311-A378 VanDerWaalsContact OE1-N 3.1Å; E311-A378 PolarHBondContact OE2-N 2.84Å; E311-V379 PolarHBondContact OE1-N 3.04Å
312I98.6Very high98.3Very high19 Ų1952 Ų5210%0.09726%0.261CS..PPolyproline II helixtrans-53.2131172-165.1169.6000110.6A314 E349 Y351 L354 A378I312-A314 PolarHBondContact O-N 3.22Å; I312-E349 HydrophobicContact CD1-CB 4.48Å; I312-E349 HydrophobicContact CG1-CB 3.76Å; I312-Y351 HydrophobicContact CD1-CD2 4.22Å; I312-Y351 HydrophobicContact CD1-CE2 4.44Å; I312-Y351 HydrophobicContact CD1-CG 4.42Å; I312-L354 HydrophobicContact CB-CD2 4.14Å; I312-A378 HydrophobicContact CB-CB 3.76Å; I312-A378 HydrophobicContact CG2-CB 3.51Å
313D98.6Very high98.4Very high68 Ų6849.1 Ų49.136%0.36424%0.237SC..PPolyproline II helixtrans-74.3116.7176.8-170.5-13.8000110.3E311 G315 G348 E349E311-D313 PolarHBondContact O-N 3.43Å; D313-G315 VanDerWaalsContact C-N 3.25Å; D313-G315 PolarHBondContact O-N 2.98Å; D313-G315 WeakPolarHBondContact OD1-CA 3.28Å; D313-G315 PolarHBondContact OD1-N 2.77Å; D313-G348 CarbonylContact O-C 3.54Å; D313-G348 VanDerWaalsContact O-CA 3.27Å; D313-G348 WeakPolarHBondContact O-CA 3.49Å; D313-E349 HydrophobicContact CB-CB 4.35Å; D313-E349 HydrophobicContact CB-CG 3.98Å; D313-E349 PolarHBondContact N-OE2 2.83Å; D313-E349 PolarHBondContact O-N 3.34Å
314A97.9Very high98.4Very high4 Ų448.2 Ų48.23%0.03324%0.235CC..  trans-830.8176.400000113.2I253 I312 V316 C317 E318 Y345I253-A314 HydrophobicContact CD1-CB 3.67Å; I253-A314 HydrophobicContact CG1-CB 4.2Å; I312-A314 PolarHBondContact O-N 3.22Å; A314-V316 PolarHBondContact O-N 2.97Å; A314-C317 HydrophobicContact CB-CB 4.25Å; A314-C317 WeakPolarHBondContact O-CB 3.48Å; A314-C317 PolarHBondContact O-N 2.96Å; A314-E318 HydrophobicContact CB-CG 4.22Å; A314-E318 VanDerWaalsContact CB-OE1 3.28Å; A314-E318 WeakPolarHBondContact CB-OE1 3.47Å; A314-E318 PolarHBondContact N-OE1 3.49Å; A314-Y345 HydrophobicContact CB-CD2 4.17Å; A314-Y345 HydrophobicContact CB-CE2 4.36Å; A314-Y345 VanDerWaalsContact O-CB 3.27Å; A314-Y345 WeakPolarHBondContact O-CB 3.35Å
315G97.9Very high98.3Very high16 Ų1643.9 Ų43.917%0.16522%0.215CC..G310 helixtrans58.1-121.9176.300000112.3D313 C317 E318 P346D313-G315 VanDerWaalsContact C-N 3.25Å; D313-G315 PolarHBondContact O-N 2.98Å; D313-G315 WeakPolarHBondContact OD1-CA 3.28Å; D313-G315 PolarHBondContact OD1-N 2.77Å; G315-C317 PolarHBondContact O-N 3.41Å; G315-C317 VanDerWaalsContact O-N 3.14Å; G315-E318 WeakPolarHBondContact O-CB 3.4Å; G315-E318 WeakPolarHBondContact O-CG 3.27Å; G315-E318 PolarHBondContact O-N 3.32Å; G315-P346 WeakPolarHBondContact CA-O 3.37Å
316V97.9Very high98.3Very high45 Ų4540.1 Ų40.127%0.27320%0.197SC..G310 helixtrans-64.8-13.4177.6-60.10000114.3A314 Y329 P346 K347A314-V316 PolarHBondContact O-N 2.97Å; V316-Y329 HydrophobicContact CG2-CE1 4.28Å; V316-Y329 HydrophobicContact CG2-CE2 4.34Å; V316-P346 HydrophobicContact CG1-CB 4.27Å; V316-P346 HydrophobicContact CG2-CB 3.8Å; V316-P346 HydrophobicContact CG2-CG 3.98Å; V316-P346 PolarHBondContact N-O 2.81Å; V316-K347 HydrophobicContact CG1-CD 4.2Å
317C97.9Very high98.3Very high0 Ų044.6 Ų44.60%022%0.221CC..G310 helixtrans-99.68.8179.1-59.90000113.3I253 A314 G315 M320 I325 Y345I253-C317 HydrophobicContact CD1-CB 4.42Å; I253-C317 WeakPolarHBondContact CG1-O 3.44Å; A314-C317 HydrophobicContact CB-CB 4.25Å; A314-C317 WeakPolarHBondContact O-CB 3.48Å; A314-C317 PolarHBondContact O-N 2.96Å; G315-C317 PolarHBondContact O-N 3.41Å; G315-C317 VanDerWaalsContact O-N 3.14Å; C317-M320 HydrophobicContact CB-SD 4.46Å; C317-M320 WeakPolarHBondContact O-CB 3.33Å; C317-M320 PolarHBondContact O-N 3.31Å; C317-I325 HydrophobicContact CB-CD1 3.95Å; C317-I325 HydrophobicContact CB-CG1 4.03Å; C317-Y345 HydrophobicContact CB-CD1 4.23Å; C317-Y345 HydrophobicContact CB-CE1 4.22Å
318E97.8Very high98.2Very high57 Ų5742.1 Ų42.127%0.26621%0.214SC..THydrogen-bonded Turntrans-56.1138.9173-79.2-70.7125.600111.4G254 G255 A314 G315 M320G254-E318 VanDerWaalsContact CA-OE2 3.29Å; G254-E318 WeakPolarHBondContact CA-OE2 3.44Å; G255-E318 PolarHBondContact N-OE2 2.97Å; A314-E318 HydrophobicContact CB-CG 4.22Å; A314-E318 VanDerWaalsContact CB-OE1 3.28Å; A314-E318 WeakPolarHBondContact CB-OE1 3.47Å; A314-E318 PolarHBondContact N-OE1 3.49Å; G315-E318 WeakPolarHBondContact O-CB 3.4Å; G315-E318 WeakPolarHBondContact O-CG 3.27Å; G315-E318 PolarHBondContact O-N 3.32Å; E318-M320 PolarHBondContact O-N 3.45Å; E318-M320 VanDerWaalsContact O-N 3.14Å
319E97.9Very high98.2Very high105 Ų10543.3 Ų43.349%0.49121%0.214SC..THydrogen-bonded Turntrans62.79.4-179-54.8-171.7-178.900115.9L247 R252 I253L247-E319 HydrophobicContact CD1-CG 4.26Å; R252-E319 VanDerWaalsContact CD-O 3.22Å; R252-E319 WeakPolarHBondContact CD-O 3.41Å; R252-E319 WeakPolarHBondContact CG-O 3.45Å; R252-E319 PolarHBondContact NH1-O 3.12Å; I253-E319 WeakPolarHBondContact O-CA 3.21Å; I253-E319 PolarHBondContact O-N 2.98Å
320M98.4Very high98.2Very high41 Ų4146 Ų4620%0.20223%0.232CC..  trans-88152.4177.4-64.5-172.2173.700113.5R252 I253 C317 E318 E324 I325 Y329R252-M320 WeakPolarHBondContact CA-O 3.34Å; I253-M320 PolarHBondContact N-O 3.23Å; C317-M320 HydrophobicContact CB-SD 4.46Å; C317-M320 WeakPolarHBondContact O-CB 3.33Å; C317-M320 PolarHBondContact O-N 3.31Å; E318-M320 PolarHBondContact O-N 3.45Å; E318-M320 VanDerWaalsContact O-N 3.14Å; M320-E324 VanDerWaalsContact CA-OE2 3.26Å; M320-E324 WeakPolarHBondContact CA-OE2 3.44Å; M320-E324 HydrophobicContact CB-CB 4.22Å; M320-I325 HydrophobicContact CB-CD1 4.21Å; M320-I325 HydrophobicContact CB-CG1 3.74Å; M320-I325 HydrophobicContact SD-CG1 4.21Å; M320-Y329 HydrophobicContact CE-CE2 4Å; M320-Y329 HydrophobicContact SD-CD2 4.4Å; M320-Y329 HydrophobicContact SD-CE2 3.98Å
321M98.2Very high98.1Very high41 Ų4148.6 Ų48.620%0.20225%0.245CC..BIsolated β-bridgetrans-78.9159.3163.7-55.2-177.2-58.500110.3R252 E323 E324 I325R252-M321 HydrophobicContact CG-CG 3.6Å; M321-E323 WeakPolarHBondContact CB-OE2 3.35Å; M321-E323 PolarHBondContact O-N 3.27Å; M321-E324 HydrophobicContact CB-CB 4.49Å; M321-E324 HydrophobicContact CB-CG 4.17Å; M321-E324 HydrophobicContact CE-CG 3.76Å; M321-E324 PolarHBondContact N-OE2 2.77Å; M321-E324 PolarHBondContact O-N 3.47Å; M321-E324 VanDerWaalsContact O-N 3.15Å; M321-I325 WeakPolarHBondContact O-CG1 3.25Å; M321-I325 PolarHBondContact O-N 3.37Å
322Y98.1Very high98Very high27 Ų2749.6 Ų49.611%0.10625%0.25CC..Hα-helixtrans-63.6-31.7176.7-74-61.8000112.4I253 I325 Q326 F333 R431 V450I253-Y322 HydrophobicContact CG2-CE1 4.4Å; I253-Y322 HydrophobicContact CG2-CE2 4.38Å; Y322-I325 HydrophobicContact CD1-CD1 4.28Å; Y322-I325 PolarHBondContact O-N 2.78Å; Y322-Q326 WeakPolarHBondContact O-CB 3.42Å; Y322-Q326 PolarHBondContact O-N 3.4Å; Y322-F333 AromaticContact CD1-CE2 3.5Å; Y322-F333 HydrophobicContact CD1-CE2 3.5Å; Y322-F333 VanDerWaalsContact CD1-CE2 3.5Å; Y322-F333 AromaticContact CD1-CZ 3.9Å; Y322-F333 HydrophobicContact CD1-CZ 3.9Å; Y322-F333 HydrophobicContact CE1-CE2 4.11Å; Y322-F333 HydrophobicContact CG-CE2 4.36Å; Y322-F333 HydrophobicContact CG-CZ 4.34Å; Y322-R431 HydrophobicContact CE2-CB 4.32Å; Y322-V450 HydrophobicContact CD2-CG1 4.12Å; Y322-V450 HydrophobicContact CD2-CG2 4.3Å; Y322-V450 HydrophobicContact CG-CG2 4.27Å
323E98.4Very high98Very high61 Ų6148.7 Ų48.729%0.28525%0.245SC..Hα-helixtrans-59.3-48.9172.3-66.874.2-170.200110.8M321 I325 Q326 E327 L447 V450 H453M321-E323 WeakPolarHBondContact CB-OE2 3.35Å; M321-E323 PolarHBondContact O-N 3.27Å; E323-I325 VanDerWaalsContact C-N 3.31Å; E323-I325 PolarHBondContact O-N 3.39Å; E323-Q326 PolarHBondContact O-N 3.32Å; E323-E327 WeakPolarHBondContact O-CB 3.26Å; E323-E327 PolarHBondContact O-N 3.07Å; E323-L447 HydrophobicContact CG-CD1 4.23Å; E323-L447 HydrophobicContact CG-CD2 4.4Å; E323-V450 WeakPolarHBondContact OE1-CG1 3.46Å; E323-H453 IonicContact OE1-CE1 3.75Å; E323-H453 PolarHBondContact OE1-CE1 3.36Å; E323-H453 VanDerWaalsContact OE1-CE1 3.32Å; E323-H453 IonicContact OE2-CE1 3.32Å; E323-H453 PolarHBondContact OE2-CE1 3.02Å; E323-H453 IonicContact OE2-NE2 2.74Å
324E98.4Very high98Very high46 Ų4645.5 Ų45.522%0.21523%0.228CC..Hα-helixtrans-65.5-35.4177.8-65.4172.2150.600111.1R252 M320 M321 N328R252-E324 IonicContact CZ-OE1 3.44Å; R252-E324 IonicContact CZ-OE2 3.89Å; R252-E324 IonicContact NH1-OE1 2.77Å; R252-E324 PolarHBondContact NH1-OE1 3.25Å; R252-E324 IonicContact NH1-OE2 3.55Å; R252-E324 PolarHBondContact NH1-OE2 3.08Å; R252-E324 IonicContact NH2-OE1 3.49Å; R252-E324 PolarHBondContact NH2-OE1 3.32Å; R252-E324 IonicContact NH2-OE2 3.45Å; R252-E324 PolarHBondContact NH2-OE2 3.13Å; M320-E324 VanDerWaalsContact CA-OE2 3.26Å; M320-E324 WeakPolarHBondContact CA-OE2 3.44Å; M320-E324 HydrophobicContact CB-CB 4.22Å; M321-E324 HydrophobicContact CB-CB 4.49Å; M321-E324 HydrophobicContact CB-CG 4.17Å; M321-E324 HydrophobicContact CE-CG 3.76Å; M321-E324 PolarHBondContact N-OE2 2.77Å; M321-E324 PolarHBondContact O-N 3.47Å; M321-E324 VanDerWaalsContact O-N 3.15Å; E324-N328 VanDerWaalsContact O-CB 3.32Å; E324-N328 WeakPolarHBondContact O-CB 3.5Å; E324-N328 PolarHBondContact O-N 3.46Å; E324-N328 PolarHBondContact O-ND2 2.99Å
325I98.2Very high98Very high0 Ų048.2 Ų48.20%024%0.242CC..Hα-helixtrans-68.6-44.5175.8-63.3167.5000110.5I253 C317 M320 M321 Y322 E323 E327 Y329 F333 Y345I253-I325 HydrophobicContact CD1-CD1 3.6Å; I253-I325 HydrophobicContact CG1-CD1 4.34Å; C317-I325 HydrophobicContact CB-CD1 3.95Å; C317-I325 HydrophobicContact CB-CG1 4.03Å; M320-I325 HydrophobicContact CB-CD1 4.21Å; M320-I325 HydrophobicContact CB-CG1 3.74Å; M320-I325 HydrophobicContact SD-CG1 4.21Å; M321-I325 WeakPolarHBondContact O-CG1 3.25Å; M321-I325 PolarHBondContact O-N 3.37Å; Y322-I325 HydrophobicContact CD1-CD1 4.28Å; Y322-I325 PolarHBondContact O-N 2.78Å; E323-I325 VanDerWaalsContact C-N 3.31Å; E323-I325 PolarHBondContact O-N 3.39Å; I325-E327 VanDerWaalsContact C-N 3.3Å; I325-E327 PolarHBondContact O-N 2.79Å; I325-Y329 CarbonylContact O-C 3.55Å; I325-Y329 VanDerWaalsContact O-CA 3.25Å; I325-Y329 WeakPolarHBondContact O-CA 3.39Å; I325-Y329 WeakPolarHBondContact O-CB 3.39Å; I325-Y329 PolarHBondContact O-N 2.87Å; I325-F333 HydrophobicContact CG2-CB 4.11Å; I325-F333 HydrophobicContact CG2-CD2 3.85Å; I325-F333 HydrophobicContact CG2-CG 4.21Å; I325-Y345 HydrophobicContact CG2-CE1 4.46Å
326Q98.1Very high98.1Very high10 Ų1048.1 Ų48.15%0.04724%0.237CC..Hα-helixtrans-64.3-36.2177171.457.225.400111.8Y322 E323 P330 F333 S443 A446 L447Y322-Q326 WeakPolarHBondContact O-CB 3.42Å; Y322-Q326 PolarHBondContact O-N 3.4Å; E323-Q326 PolarHBondContact O-N 3.32Å; Q326-P330 WeakPolarHBondContact O-CB 3.25Å; Q326-F333 HydrophobicContact CB-CD1 3.92Å; Q326-F333 HydrophobicContact CB-CE1 4.2Å; Q326-F333 HydrophobicContact CG-CD1 4.48Å; Q326-F333 VanDerWaalsContact OE1-CD1 3.23Å; Q326-S443 PolarHBondContact NE2-OG 2.71Å; Q326-S443 VanDerWaalsContact NE2-OG 3.13Å; Q326-A446 HydrophobicContact CG-CB 4.22Å; Q326-L447 HydrophobicContact CB-CD1 4.4Å; Q326-L447 HydrophobicContact CB-CD2 3.92Å; Q326-L447 HydrophobicContact CB-CG 4.28Å; Q326-L447 HydrophobicContact CG-CD1 4.24Å; Q326-L447 HydrophobicContact CG-CD2 4.4Å; Q326-L447 HydrophobicContact CG-CG 4.21Å
327E98.1Very high98.1Very high151 Ų15146 Ų4671%0.70622%0.224SC*.Hα-helixtrans-69.4-48177.2-175.5177.4-169.900112.1E323 I325E323-E327 WeakPolarHBondContact O-CB 3.26Å; E323-E327 PolarHBondContact O-N 3.07Å; I325-E327 VanDerWaalsContact C-N 3.3Å; I325-E327 PolarHBondContact O-N 2.79Å
328N97.8Very high98.1Very high93 Ų9349.8 Ų49.850%0.49724%0.241SC..Hα-helixtrans-88.7-28-172.4-65.1-63000113.8E324E324-N328 VanDerWaalsContact O-CB 3.32Å; E324-N328 WeakPolarHBondContact O-CB 3.5Å; E324-N328 PolarHBondContact O-N 3.46Å; E324-N328 PolarHBondContact O-ND2 2.99Å
329Y97.8Very high98.1Very high69 Ų6949.7 Ų49.727%0.27124%0.243SC..  trans-139.756.5-172.9-54.4-74.2000112.3V316 M320 I325 L331 E332 F333V316-Y329 HydrophobicContact CG2-CE1 4.28Å; V316-Y329 HydrophobicContact CG2-CE2 4.34Å; M320-Y329 HydrophobicContact CE-CE2 4Å; M320-Y329 HydrophobicContact SD-CD2 4.4Å; M320-Y329 HydrophobicContact SD-CE2 3.98Å; I325-Y329 CarbonylContact O-C 3.55Å; I325-Y329 VanDerWaalsContact O-CA 3.25Å; I325-Y329 WeakPolarHBondContact O-CA 3.39Å; I325-Y329 WeakPolarHBondContact O-CB 3.39Å; I325-Y329 PolarHBondContact O-N 2.87Å; Y329-L331 VanDerWaalsContact C-N 3.3Å; Y329-L331 PolarHBondContact O-N 3.45Å; Y329-E332 WeakPolarHBondContact CA-OE2 3.44Å; Y329-E332 WeakPolarHBondContact CB-OE2 3.2Å; Y329-E332 PolarHBondContact O-N 2.85Å; Y329-F333 WeakPolarHBondContact O-CB 3.38Å; Y329-F333 PolarHBondContact O-N 3.06Å
330P97.6Very high98.1Very high57 Ų5745 Ų4537%0.3722%0.221SC..Hα-helixtrans-62.4-35.2-174.622.9-33.3000113.3Q326 A334Q326-P330 WeakPolarHBondContact O-CB 3.25Å; P330-A334 WeakPolarHBondContact O-CB 3.48Å; P330-A334 PolarHBondContact O-N 2.74Å; P330-A334 VanDerWaalsContact O-N 3.08Å
331L97.7Very high98.2Very high84 Ų8443.8 Ų43.844%0.4421%0.214SC..Hα-helixtrans-65.5-50.1177.7175.761.6000110.4Y329 F333 A334 L335 V439Y329-L331 VanDerWaalsContact C-N 3.3Å; Y329-L331 PolarHBondContact O-N 3.45Å; L331-F333 VanDerWaalsContact C-N 3.29Å; L331-F333 PolarHBondContact O-N 3.34Å; L331-A334 PolarHBondContact O-N 3.36Å; L331-L335 HydrophobicContact CD1-CD1 3.98Å; L331-L335 HydrophobicContact CD1-CG 4.11Å; L331-L335 HydrophobicContact CG-CD1 3.94Å; L331-L335 HydrophobicContact CG-CG 4.45Å; L331-L335 WeakPolarHBondContact O-CB 3.32Å; L331-L335 VanDerWaalsContact O-CG 3.27Å; L331-L335 WeakPolarHBondContact O-CG 3.36Å; L331-L335 PolarHBondContact O-N 2.83Å; L331-V439 HydrophobicContact CD1-CB 3.94Å; L331-V439 HydrophobicContact CD1-CG1 3.7Å
332E97.6Very high98.2Very high47 Ų4748.5 Ų48.522%0.2223%0.23CC..Hα-helixtrans-60.2-40.8178.9-67.366.4-154.200111.1Y329 R336 Y343 P346Y329-E332 WeakPolarHBondContact CA-OE2 3.44Å; Y329-E332 WeakPolarHBondContact CB-OE2 3.2Å; Y329-E332 PolarHBondContact O-N 2.85Å; E332-R336 WeakPolarHBondContact O-CB 3.37Å; E332-R336 PolarHBondContact O-N 3.09Å; E332-Y343 WeakPolarHBondContact CA-OH 3.5Å; E332-Y343 WeakPolarHBondContact CB-OH 3.48Å; E332-Y343 WeakPolarHBondContact CG-OH 3.31Å; E332-P346 HydrophobicContact CG-CG 4.14Å
333F98.3Very high98.2Very high1 Ų148.9 Ų48.90%0.00423%0.231CC..Hα-helixtrans-65.4-42.7178.7-164.9-128000112.4Y322 I325 Q326 Y329 L331 D337 R431 R441 A446 L447Y322-F333 AromaticContact CD1-CE2 3.5Å; Y322-F333 HydrophobicContact CD1-CE2 3.5Å; Y322-F333 VanDerWaalsContact CD1-CE2 3.5Å; Y322-F333 AromaticContact CD1-CZ 3.9Å; Y322-F333 HydrophobicContact CD1-CZ 3.9Å; Y322-F333 HydrophobicContact CE1-CE2 4.11Å; Y322-F333 HydrophobicContact CG-CE2 4.36Å; Y322-F333 HydrophobicContact CG-CZ 4.34Å; I325-F333 HydrophobicContact CG2-CB 4.11Å; I325-F333 HydrophobicContact CG2-CD2 3.85Å; I325-F333 HydrophobicContact CG2-CG 4.21Å; Q326-F333 HydrophobicContact CB-CD1 3.92Å; Q326-F333 HydrophobicContact CB-CE1 4.2Å; Q326-F333 HydrophobicContact CG-CD1 4.48Å; Q326-F333 VanDerWaalsContact OE1-CD1 3.23Å; Y329-F333 WeakPolarHBondContact O-CB 3.38Å; Y329-F333 PolarHBondContact O-N 3.06Å; L331-F333 VanDerWaalsContact C-N 3.29Å; L331-F333 PolarHBondContact O-N 3.34Å; F333-D337 PolarHBondContact O-N 3.04Å; F333-D337 VanDerWaalsContact O-N 3.15Å; F333-R431 VanDerWaalsContact CZ-CZ 3.46Å; F333-R431 VanDerWaalsContact CZ-NH2 3.3Å; F333-R441 PolarHBondContact O-NH2 3.47Å; F333-A446 HydrophobicContact CD1-CB 4.19Å; F333-A446 HydrophobicContact CE1-CB 4.08Å; F333-L447 HydrophobicContact CE1-CD2 4.2Å
334A98.4Very high98.2Very high0 Ų052.5 Ų52.50%024%0.242CC..Hα-helixtrans-65.8-47.4175.400000112.2P330 L331 R336 D337 Q338 V439P330-A334 WeakPolarHBondContact O-CB 3.48Å; P330-A334 PolarHBondContact O-N 2.74Å; P330-A334 VanDerWaalsContact O-N 3.08Å; L331-A334 PolarHBondContact O-N 3.36Å; A334-R336 VanDerWaalsContact C-N 3.25Å; A334-R336 PolarHBondContact O-N 3.47Å; A334-D337 PolarHBondContact O-N 3.15Å; A334-Q338 WeakPolarHBondContact O-CG 3.24Å; A334-Q338 PolarHBondContact O-N 3.27Å; A334-V439 HydrophobicContact CB-CB 4.46Å; A334-V439 HydrophobicContact CB-CG1 4.18Å
335L98.4Very high97.9Very high62 Ų6250.5 Ų50.533%0.32523%0.233SC..Hα-helixtrans-59.9-37.2177.7-69.8174.9000112L331 Q338 D339 Y343 V439L331-L335 HydrophobicContact CD1-CD1 3.98Å; L331-L335 HydrophobicContact CD1-CG 4.11Å; L331-L335 HydrophobicContact CG-CD1 3.94Å; L331-L335 HydrophobicContact CG-CG 4.45Å; L331-L335 WeakPolarHBondContact O-CB 3.32Å; L331-L335 VanDerWaalsContact O-CG 3.27Å; L331-L335 WeakPolarHBondContact O-CG 3.36Å; L331-L335 PolarHBondContact O-N 2.83Å; L335-Q338 PolarHBondContact O-N 2.9Å; L335-D339 PolarHBondContact O-N 2.91Å; L335-Y343 HydrophobicContact CB-CD2 3.58Å; L335-Y343 HydrophobicContact CB-CE2 3.36Å; L335-Y343 HydrophobicContact CD1-CE2 4.06Å; L335-Y343 HydrophobicContact CG-CE2 4.37Å; L335-V439 HydrophobicContact CD2-CG1 4.11Å; L335-V439 HydrophobicContact CG-CG1 4.41Å
336R98.4Very high97.8Very high14 Ų1452.9 Ų52.95%0.05325%0.248CC..Hα-helixtrans-67.1-34.1174.1-167.5168.8-173.9-91.24.1113.3E332 A334 D339 K340 Y343 Y345E332-R336 WeakPolarHBondContact O-CB 3.37Å; E332-R336 PolarHBondContact O-N 3.09Å; A334-R336 VanDerWaalsContact C-N 3.25Å; A334-R336 PolarHBondContact O-N 3.47Å; R336-D339 CarbonylContact O-C 3.58Å; R336-K340 HydrophobicContact CG-CG 4.32Å; R336-K340 WeakPolarHBondContact O-CA 3.33Å; R336-K340 WeakPolarHBondContact O-CB 3.3Å; R336-K340 PolarHBondContact O-N 2.77Å; R336-Y343 HydrophobicContact CB-CD1 3.39Å; R336-Y343 HydrophobicContact CB-CD2 4.47Å; R336-Y343 HydrophobicContact CB-CE1 3.82Å; R336-Y343 HydrophobicContact CB-CG 3.76Å; R336-Y343 HydrophobicContact CG-CD1 3.56Å; R336-Y343 HydrophobicContact CG-CE1 4.3Å; R336-Y343 HydrophobicContact CG-CG 4.07Å; R336-Y345 VanDerWaalsContact CD-CE2 3.46Å; R336-Y345 VanDerWaalsContact CD-OH 3.31Å; R336-Y345 WeakPolarHBondContact CD-OH 3.17Å; R336-Y345 VanDerWaalsContact NE-CE2 3.27Å
337D98.3Very high97.8Very high1 Ų161.2 Ų61.21%0.00528%0.284CS..Hα-helixtrans-73-30.8175-76.2-26.1000112.2F333 A334 R431 K433 P434 V437 R441F333-D337 PolarHBondContact O-N 3.04Å; F333-D337 VanDerWaalsContact O-N 3.15Å; A334-D337 PolarHBondContact O-N 3.15Å; D337-R431 IonicContact OD1-CZ 3.34Å; D337-R431 IonicContact OD1-NH1 3.44Å; D337-R431 PolarHBondContact OD1-NH1 2.81Å; D337-R431 IonicContact OD1-NH2 3.45Å; D337-R431 IonicContact OD2-CZ 3.4Å; D337-R431 IonicContact OD2-NH1 3.07Å; D337-R431 PolarHBondContact OD2-NH1 2.88Å; D337-R431 IonicContact OD2-NH2 2.71Å; D337-R431 PolarHBondContact OD2-NH2 3.47Å; D337-K433 WeakPolarHBondContact O-CE 3.5Å; D337-P434 HydrophobicContact CB-CG 4.41Å; D337-P434 WeakPolarHBondContact OD2-CG 3.32Å; D337-V437 HydrophobicContact CB-CB 4.09Å; D337-V437 HydrophobicContact CB-CG1 3.65Å; D337-R441 IonicContact OD2-CZ 3.62Å; D337-R441 VanDerWaalsContact OD2-CZ 3.24Å; D337-R441 IonicContact OD2-NH1 3.62Å; D337-R441 PolarHBondContact OD2-NH1 3.27Å; D337-R441 IonicContact OD2-NH2 3.69Å; D337-R441 PolarHBondContact OD2-NH2 2.98Å
338Q98.3Very high97.8Very high78 Ų7854.6 Ų54.636%0.36426%0.257SS..Hα-helixtrans-64.6-54.3176.4-69.9172.89.200112A334 L335 V437A334-Q338 WeakPolarHBondContact O-CG 3.24Å; A334-Q338 PolarHBondContact O-N 3.27Å; L335-Q338 PolarHBondContact O-N 2.9Å; Q338-V437 HydrophobicContact CG-CB 3.89Å; Q338-V437 HydrophobicContact CG-CG2 3.71Å; Q338-V437 WeakPolarHBondContact CG-O 3.45Å; Q338-V437 PolarHBondContact NE2-O 3.38Å
339D98.1Very high97.8Very high56 Ų5651.9 Ų51.930%0.29924%0.241SC..SBendtrans-131.979.3176.1-171.5-16.1000110.8L335 R336 Y341 R342 Y343L335-D339 PolarHBondContact O-N 2.91Å; R336-D339 CarbonylContact O-C 3.58Å; D339-Y341 PolarHBondContact O-N 2.85Å; D339-Y341 PolarHBondContact OD1-N 3.26Å; D339-R342 PolarHBondContact O-N 3.09Å; D339-R342 PolarHBondContact OD1-N 3.48Å; D339-R342 IonicContact OD1-NH1 2.73Å; D339-R342 WeakPolarHBondContact OD2-CB 3.42Å; D339-R342 WeakPolarHBondContact OD2-CD 3.49Å; D339-R342 WeakPolarHBondContact OD2-CG 3.4Å; D339-R342 IonicContact OD2-CZ 3.57Å; D339-R342 IonicContact OD2-NH1 2.65Å; D339-R342 PolarHBondContact OD2-NH1 3.04Å; D339-Y343 WeakPolarHBondContact O-CB 3.39Å; D339-Y343 PolarHBondContact O-N 3.37Å
340K98.6Very high97.8Very high6 Ų648.6 Ų48.63%0.02623%0.228CC..THydrogen-bonded Turntrans-64.5-21.1-178.5-161.6174.1179.3-176.10113.5R336 Y351 P396 Y397R336-K340 HydrophobicContact CG-CG 4.32Å; R336-K340 WeakPolarHBondContact O-CA 3.33Å; R336-K340 WeakPolarHBondContact O-CB 3.3Å; R336-K340 PolarHBondContact O-N 2.77Å; K340-Y351 HydrophobicContact CG-CE2 4.35Å; K340-Y351 WeakPolarHBondContact O-CD2 3.48Å; K340-P396 HydrophobicContact CB-CB 4Å; K340-P396 HydrophobicContact CB-CG 4.34Å; K340-P396 HydrophobicContact CD-CB 3.77Å; K340-P396 HydrophobicContact CG-CB 3.79Å; K340-P396 PolarHBondContact NZ-O 3.12Å; K340-Y397 HydrophobicContact CB-CE2 4.24Å; K340-Y397 WeakPolarHBondContact CB-OH 3.22Å; K340-Y397 HydrophobicContact CD-CD1 4.39Å; K340-Y397 HydrophobicContact CD-CE1 3.61Å; K340-Y397 HydrophobicContact CD-CE2 4.15Å; K340-Y397 VanDerWaalsContact CD-CZ 3.48Å; K340-Y397 WeakPolarHBondContact CD-OH 3.43Å
341Y98.6Very high97.9Very high16 Ų1646.1 Ų46.16%0.06321%0.211CC..THydrogen-bonded Turntrans-74.9-49.8179.5-178.9-104.6000111.1D339 Y351 E352 V355 A392 L395 P396D339-Y341 PolarHBondContact O-N 2.85Å; D339-Y341 PolarHBondContact OD1-N 3.26Å; Y341-Y351 PolarHBondContact O-N 2.92Å; Y341-Y351 VanDerWaalsContact O-N 3.1Å; Y341-E352 HydrophobicContact CD1-CB 4.27Å; Y341-E352 HydrophobicContact CE1-CB 3.73Å; Y341-E352 HydrophobicContact CE1-CG 3.95Å; Y341-E352 PolarHBondContact O-N 3.1Å; Y341-E352 VanDerWaalsContact O-N 3.12Å; Y341-V355 HydrophobicContact CE2-CG2 4.27Å; Y341-A392 WeakPolarHBondContact CB-O 3.46Å; Y341-A392 HydrophobicContact CD1-CB 3.77Å; Y341-A392 HydrophobicContact CD2-CB 3.96Å; Y341-A392 VanDerWaalsContact CD2-O 3.31Å; Y341-A392 WeakPolarHBondContact CD2-O 3.25Å; Y341-A392 HydrophobicContact CE1-CB 3.75Å; Y341-A392 HydrophobicContact CE2-CB 3.94Å; Y341-A392 HydrophobicContact CG-CB 3.88Å; Y341-L395 HydrophobicContact CE2-CD1 4.21Å; Y341-P396 HydrophobicContact CD2-CG 4.29Å
342R98.4Very high97.9Very high139 Ų13945.2 Ų45.253%0.52521%0.205SC..THydrogen-bonded Turntrans-90.9-23.9-174.9-59.4-172.6-179.878.43.6114D339 R344 S350D339-R342 PolarHBondContact O-N 3.09Å; D339-R342 PolarHBondContact OD1-N 3.48Å; D339-R342 IonicContact OD1-NH1 2.73Å; D339-R342 WeakPolarHBondContact OD2-CB 3.42Å; D339-R342 WeakPolarHBondContact OD2-CD 3.49Å; D339-R342 WeakPolarHBondContact OD2-CG 3.4Å; D339-R342 IonicContact OD2-CZ 3.57Å; D339-R342 IonicContact OD2-NH1 2.65Å; D339-R342 PolarHBondContact OD2-NH1 3.04Å; R342-R344 PolarHBondContact O-N 3.45Å; R342-S350 VanDerWaalsContact O-CB 3.29Å; R342-S350 WeakPolarHBondContact O-CB 3.15Å
343Y98.4Very high98Very high36 Ų3644.2 Ų44.214%0.14120%0.201CC..  trans-63.8125.5-177.3-174.8-87000111.4E332 L335 R336 D339 Y345 S350E332-Y343 WeakPolarHBondContact CA-OH 3.5Å; E332-Y343 WeakPolarHBondContact CB-OH 3.48Å; E332-Y343 WeakPolarHBondContact CG-OH 3.31Å; L335-Y343 HydrophobicContact CB-CD2 3.58Å; L335-Y343 HydrophobicContact CB-CE2 3.36Å; L335-Y343 HydrophobicContact CD1-CE2 4.06Å; L335-Y343 HydrophobicContact CG-CE2 4.37Å; R336-Y343 HydrophobicContact CB-CD1 3.39Å; R336-Y343 HydrophobicContact CB-CD2 4.47Å; R336-Y343 HydrophobicContact CB-CE1 3.82Å; R336-Y343 HydrophobicContact CB-CG 3.76Å; R336-Y343 HydrophobicContact CG-CD1 3.56Å; R336-Y343 HydrophobicContact CG-CE1 4.3Å; R336-Y343 HydrophobicContact CG-CG 4.07Å; D339-Y343 WeakPolarHBondContact O-CB 3.39Å; D339-Y343 PolarHBondContact O-N 3.37Å; Y343-Y345 AromaticContact CE1-CD1 4Å; Y343-Y345 HydrophobicContact CE1-CD1 4Å; Y343-Y345 HydrophobicContact CE1-CE1 4.41Å; Y343-Y345 HydrophobicContact CE1-CG 4.39Å; Y343-S350 WeakPolarHBondContact O-CA 3.29Å; Y343-S350 WeakPolarHBondContact O-CB 3.41Å
344R98.3Very high98Very high136 Ų13644.2 Ų44.251%0.51320%0.201SC..  trans-105.9124.4176.3-173.5-175.2-68.6138.11.3108.9R342 G348 D353R342-R344 PolarHBondContact O-N 3.45Å; R344-G348 VanDerWaalsContact CD-O 3.26Å; R344-G348 WeakPolarHBondContact CD-O 3.33Å; R344-G348 WeakPolarHBondContact CG-O 3.12Å; R344-D353 IonicContact CZ-OD1 3.43Å; R344-D353 IonicContact CZ-OD2 2.86Å; R344-D353 VanDerWaalsContact CZ-OD2 3.31Å; R344-D353 IonicContact NE-OD1 3.67Å; R344-D353 IonicContact NE-OD2 3.53Å; R344-D353 PolarHBondContact NE-OD2 2.92Å; R344-D353 VanDerWaalsContact NH2-CG 3.28Å; R344-D353 IonicContact NH2-OD1 2.78Å; R344-D353 PolarHBondContact NH2-OD1 2.94Å; R344-D353 IonicContact NH2-OD2 3.34Å; R344-D353 PolarHBondContact NH2-OD2 2.93Å; R344-D353 VanDerWaalsContact NH2-OD2 3.11Å
345Y92.9Very high98Very high4 Ų444.3 Ų44.32%0.01620%0.202CC..  trans-59.2148.9169.8-79.6-65.5000110.6I253 A314 C317 I325 R336 Y343 K347 G348I253-Y345 HydrophobicContact CD1-CE2 4.48Å; A314-Y345 HydrophobicContact CB-CD2 4.17Å; A314-Y345 HydrophobicContact CB-CE2 4.36Å; A314-Y345 VanDerWaalsContact O-CB 3.27Å; A314-Y345 WeakPolarHBondContact O-CB 3.35Å; C317-Y345 HydrophobicContact CB-CD1 4.23Å; C317-Y345 HydrophobicContact CB-CE1 4.22Å; I325-Y345 HydrophobicContact CG2-CE1 4.46Å; R336-Y345 VanDerWaalsContact CD-CE2 3.46Å; R336-Y345 VanDerWaalsContact CD-OH 3.31Å; R336-Y345 WeakPolarHBondContact CD-OH 3.17Å; R336-Y345 VanDerWaalsContact NE-CE2 3.27Å; Y343-Y345 AromaticContact CE1-CD1 4Å; Y343-Y345 HydrophobicContact CE1-CD1 4Å; Y343-Y345 HydrophobicContact CE1-CE1 4.41Å; Y343-Y345 HydrophobicContact CE1-CG 4.39Å; Y345-K347 PolarHBondContact O-N 3.19Å; Y345-K347 VanDerWaalsContact O-N 3.1Å; Y345-G348 PolarHBondContact O-N 3.07Å
346P96.3Very high97.9Very high50 Ų5047 Ų4733%0.32521%0.212SC..THydrogen-bonded Turntrans-55122.9175-23.532.7000110.7G315 V316 E332 G348G315-P346 WeakPolarHBondContact CA-O 3.37Å; V316-P346 HydrophobicContact CG1-CB 4.27Å; V316-P346 HydrophobicContact CG2-CB 3.8Å; V316-P346 HydrophobicContact CG2-CG 3.98Å; V316-P346 PolarHBondContact N-O 2.81Å; E332-P346 HydrophobicContact CG-CG 4.14Å; P346-G348 PolarHBondContact O-N 3.24Å
347K96.8Very high97.9Very high186 Ų18648.8 Ų48.881%0.80922%0.219SC*.THydrogen-bonded Turntrans61.715.7-174.7-53.3175.5174.5174.50115.5V316 Y345V316-K347 HydrophobicContact CG1-CD 4.2Å; Y345-K347 PolarHBondContact O-N 3.19Å; Y345-K347 VanDerWaalsContact O-N 3.1Å
348G97.9Very high97.9Very high12 Ų1248.7 Ų48.712%0.12422%0.219CC..SBendtrans-114.3-155.6175.900000112.7D313 R344 Y345 P346D313-G348 CarbonylContact O-C 3.54Å; D313-G348 VanDerWaalsContact O-CA 3.27Å; D313-G348 WeakPolarHBondContact O-CA 3.49Å; R344-G348 VanDerWaalsContact CD-O 3.26Å; R344-G348 WeakPolarHBondContact CD-O 3.33Å; R344-G348 WeakPolarHBondContact CG-O 3.12Å; Y345-G348 PolarHBondContact O-N 3.07Å; P346-G348 PolarHBondContact O-N 3.24Å
349E98.5Very high97.9Very high35 Ų3546.6 Ų46.616%0.16421%0.209CC..  trans-115.5152.6-179.8-72.6177.7129.100111.7I312 D313 D353 R357I312-E349 HydrophobicContact CD1-CB 4.48Å; I312-E349 HydrophobicContact CG1-CB 3.76Å; D313-E349 HydrophobicContact CB-CB 4.35Å; D313-E349 HydrophobicContact CB-CG 3.98Å; D313-E349 PolarHBondContact N-OE2 2.83Å; D313-E349 PolarHBondContact O-N 3.34Å; E349-D353 HydrophobicContact CB-CB 4.12Å; E349-D353 HydrophobicContact CG-CB 4.23Å; E349-R357 IonicContact OE1-CZ 3.63Å; E349-R357 IonicContact OE1-NE 3.56Å; E349-R357 PolarHBondContact OE1-NE 3.23Å; E349-R357 IonicContact OE1-NH2 2.77Å; E349-R357 PolarHBondContact OE1-NH2 3.33Å; E349-R357 IonicContact OE2-CZ 3.5Å; E349-R357 IonicContact OE2-NE 2.78Å; E349-R357 IonicContact OE2-NH2 3.45Å; E349-R357 PolarHBondContact OE2-NH2 2.75Å
350S98.8Very high97.9Very high1 Ų147.1 Ų47.11%0.00722%0.215CC..  trans-92.5171.9160.171.40000110.9R342 Y343 E352 D353 L354R342-S350 VanDerWaalsContact O-CB 3.29Å; R342-S350 WeakPolarHBondContact O-CB 3.15Å; Y343-S350 WeakPolarHBondContact O-CA 3.29Å; Y343-S350 WeakPolarHBondContact O-CB 3.41Å; S350-E352 PolarHBondContact O-N 2.88Å; S350-E352 WeakPolarHBondContact OG-CB 3.17Å; S350-E352 PolarHBondContact OG-N 3.14Å; S350-D353 PolarHBondContact N-OD2 3.31Å; S350-D353 PolarHBondContact O-N 3.32Å; S350-D353 PolarHBondContact OG-N 2.72Å; S350-D353 PolarHBondContact OG-OD2 3.44Å; S350-L354 PolarHBondContact O-N 2.87Å; S350-L354 VanDerWaalsContact O-N 3.1Å
351Y98.8Very high97.9Very high5 Ų546.8 Ų46.82%0.0221%0.214CC..Hα-helixtrans-66.2-29.8169.9-86.9-87.2000111.7I312 K340 Y341 L354 V355 A378 R381 L395 P396I312-Y351 HydrophobicContact CD1-CD2 4.22Å; I312-Y351 HydrophobicContact CD1-CE2 4.44Å; I312-Y351 HydrophobicContact CD1-CG 4.42Å; K340-Y351 HydrophobicContact CG-CE2 4.35Å; K340-Y351 WeakPolarHBondContact O-CD2 3.48Å; Y341-Y351 PolarHBondContact O-N 2.92Å; Y341-Y351 VanDerWaalsContact O-N 3.1Å; Y351-L354 HydrophobicContact CD1-CD2 4.4Å; Y351-L354 WeakPolarHBondContact O-CB 3.48Å; Y351-L354 PolarHBondContact O-N 3.32Å; Y351-V355 WeakPolarHBondContact O-CG2 3.06Å; Y351-V355 PolarHBondContact O-N 2.98Å; Y351-A378 HydrophobicContact CD1-CB 4.46Å; Y351-A378 HydrophobicContact CE1-CB 3.55Å; Y351-A378 WeakPolarHBondContact OH-CB 3.47Å; Y351-R381 HydrophobicContact CE1-CB 4.29Å; Y351-R381 WeakPolarHBondContact OH-CD 3.4Å; Y351-R381 PolarHBondContact OH-NH1 3.22Å; Y351-L395 HydrophobicContact CD1-CD2 3.35Å; Y351-L395 HydrophobicContact CE1-CD2 3.9Å; Y351-L395 HydrophobicContact CG-CD2 4.07Å; Y351-P396 HydrophobicContact CD2-CB 3.85Å; Y351-P396 HydrophobicContact CD2-CG 3.98Å; Y351-P396 HydrophobicContact CE2-CB 3.73Å; Y351-P396 HydrophobicContact CE2-CG 4.37Å; Y351-P396 HydrophobicContact CG-CB 4.3Å; Y351-P396 HydrophobicContact CG-CG 4.09Å
352E98.4Very high97.8Very high64 Ų6446 Ų4630%0.29921%0.211SC..Hα-helixtrans-63.5-42.5173-172.5172-126.800112Y341 S350 L354 V355 Q356Y341-E352 HydrophobicContact CD1-CB 4.27Å; Y341-E352 HydrophobicContact CE1-CB 3.73Å; Y341-E352 HydrophobicContact CE1-CG 3.95Å; Y341-E352 PolarHBondContact O-N 3.1Å; Y341-E352 VanDerWaalsContact O-N 3.12Å; S350-E352 PolarHBondContact O-N 2.88Å; S350-E352 WeakPolarHBondContact OG-CB 3.17Å; S350-E352 PolarHBondContact OG-N 3.14Å; E352-L354 VanDerWaalsContact C-N 3.31Å; E352-L354 PolarHBondContact O-N 2.88Å; E352-V355 PolarHBondContact O-N 2.79Å; E352-Q356 WeakPolarHBondContact O-CG 3.35Å; E352-Q356 PolarHBondContact O-N 2.96Å
353D98.6Very high97.8Very high27 Ų2739.5 Ų39.514%0.14419%0.187CC..Hα-helixtrans-62.4-42.2173.2-61.8-39.5000111.2R344 E349 S350 V355 Q356 R357R344-D353 IonicContact CZ-OD1 3.43Å; R344-D353 IonicContact CZ-OD2 2.86Å; R344-D353 VanDerWaalsContact CZ-OD2 3.31Å; R344-D353 IonicContact NE-OD1 3.67Å; R344-D353 IonicContact NE-OD2 3.53Å; R344-D353 PolarHBondContact NE-OD2 2.92Å; R344-D353 VanDerWaalsContact NH2-CG 3.28Å; R344-D353 IonicContact NH2-OD1 2.78Å; R344-D353 PolarHBondContact NH2-OD1 2.94Å; R344-D353 IonicContact NH2-OD2 3.34Å; R344-D353 PolarHBondContact NH2-OD2 2.93Å; R344-D353 VanDerWaalsContact NH2-OD2 3.11Å; E349-D353 HydrophobicContact CB-CB 4.12Å; E349-D353 HydrophobicContact CG-CB 4.23Å; S350-D353 PolarHBondContact N-OD2 3.31Å; S350-D353 PolarHBondContact O-N 3.32Å; S350-D353 PolarHBondContact OG-N 2.72Å; S350-D353 PolarHBondContact OG-OD2 3.44Å; D353-V355 VanDerWaalsContact C-N 3.34Å; D353-V355 PolarHBondContact O-N 3.06Å; D353-Q356 PolarHBondContact O-N 3.15Å; D353-R357 WeakPolarHBondContact O-CB 3.4Å; D353-R357 PolarHBondContact O-N 3.21Å
354L98.6Very high97.8Very high0 Ų039.5 Ų39.50%019%0.188CC..Hα-helixtrans-63.5-40.2179.3-178.159.9000112I312 S350 Y351 E352 R357 L358 A378 V379 C382I312-L354 HydrophobicContact CB-CD2 4.14Å; S350-L354 PolarHBondContact O-N 2.87Å; S350-L354 VanDerWaalsContact O-N 3.1Å; Y351-L354 HydrophobicContact CD1-CD2 4.4Å; Y351-L354 WeakPolarHBondContact O-CB 3.48Å; Y351-L354 PolarHBondContact O-N 3.32Å; E352-L354 VanDerWaalsContact C-N 3.31Å; E352-L354 PolarHBondContact O-N 2.88Å; L354-R357 PolarHBondContact O-N 3.38Å; L354-L358 HydrophobicContact CD1-CD1 3.86Å; L354-L358 HydrophobicContact CD1-CG 4.02Å; L354-L358 HydrophobicContact CD2-CD1 4.46Å; L354-L358 HydrophobicContact CG-CD1 3.78Å; L354-L358 HydrophobicContact CG-CG 4.34Å; L354-L358 WeakPolarHBondContact O-CB 3.27Å; L354-L358 VanDerWaalsContact O-CG 3.24Å; L354-L358 WeakPolarHBondContact O-CG 3.26Å; L354-L358 PolarHBondContact O-N 3.36Å; L354-A378 HydrophobicContact CD2-CB 3.74Å; L354-V379 HydrophobicContact CD1-CG2 4.16Å; L354-V379 HydrophobicContact CD2-CG2 4.4Å; L354-C382 VanDerWaalsContact CD2-SG 3.58Å
355V98.4Very high97.7Very high2 Ų233 Ų331%0.01216%0.163CC..Hα-helixtrans-58.4-48.3173.2159.70000110.7W50 Y341 Y351 E352 D353 R357 L358 E359 C382 L395W50-V355 HydrophobicContact CD2-CG1 4.03Å; W50-V355 HydrophobicContact CE3-CG1 4.06Å; W50-V355 HydrophobicContact CH2-CB 4.46Å; W50-V355 HydrophobicContact CH2-CG1 4.03Å; W50-V355 WeakPolarHBondContact CH2-O 3.45Å; W50-V355 HydrophobicContact CZ2-CB 4.26Å; W50-V355 HydrophobicContact CZ2-CG1 4.03Å; W50-V355 HydrophobicContact CZ2-CG2 4.08Å; W50-V355 HydrophobicContact CZ3-CG1 4.05Å; W50-V355 WeakPolarHBondContact O-CG1 3.22Å; Y341-V355 HydrophobicContact CE2-CG2 4.27Å; Y351-V355 WeakPolarHBondContact O-CG2 3.06Å; Y351-V355 PolarHBondContact O-N 2.98Å; E352-V355 PolarHBondContact O-N 2.79Å; D353-V355 VanDerWaalsContact C-N 3.34Å; D353-V355 PolarHBondContact O-N 3.06Å; V355-R357 VanDerWaalsContact C-N 3.33Å; V355-R357 PolarHBondContact O-N 3.44Å; V355-L358 PolarHBondContact O-N 2.79Å; V355-E359 PolarHBondContact O-N 3.44Å; V355-C382 HydrophobicContact CG2-CB 4.41Å; V355-L395 HydrophobicContact CG2-CD1 3.99Å
356Q96.6Very high97.9Very high118 Ų11832.9 Ų32.955%0.55116%0.163SC*.Hα-helixtrans-61.1-42.3177.1-66.9178.4400111.9E352 D353 L358 E359E352-Q356 WeakPolarHBondContact O-CG 3.35Å; E352-Q356 PolarHBondContact O-N 2.96Å; D353-Q356 PolarHBondContact O-N 3.15Å; Q356-L358 VanDerWaalsContact C-N 3.31Å; Q356-L358 PolarHBondContact O-N 3.31Å; Q356-E359 PolarHBondContact O-N 3.05Å
357R98.3Very high97.8Very high52 Ų5236.4 Ų36.420%0.19617%0.17CC..Hα-helixtrans-64.8-32.9177.2176.2163.960.493.3-23.9113.1V308 N310 E311 E349 D353 L354 V355 P360V308-R357 HydrophobicContact CB-CG 4.17Å; V308-R357 HydrophobicContact CG1-CG 4.25Å; V308-R357 PolarHBondContact O-NH1 2.8Å; N310-R357 PolarHBondContact O-NH1 3.44Å; N310-R357 PolarHBondContact O-NH2 3.47Å; E311-R357 PolarHBondContact O-NH2 3.31Å; E349-R357 IonicContact OE1-CZ 3.63Å; E349-R357 IonicContact OE1-NE 3.56Å; E349-R357 PolarHBondContact OE1-NE 3.23Å; E349-R357 IonicContact OE1-NH2 2.77Å; E349-R357 PolarHBondContact OE1-NH2 3.33Å; E349-R357 IonicContact OE2-CZ 3.5Å; E349-R357 IonicContact OE2-NE 2.78Å; E349-R357 IonicContact OE2-NH2 3.45Å; E349-R357 PolarHBondContact OE2-NH2 2.75Å; D353-R357 WeakPolarHBondContact O-CB 3.4Å; D353-R357 PolarHBondContact O-N 3.21Å; L354-R357 PolarHBondContact O-N 3.38Å; V355-R357 VanDerWaalsContact C-N 3.33Å; V355-R357 PolarHBondContact O-N 3.44Å; R357-P360 WeakPolarHBondContact O-CD 3.35Å
358L98.7Very high97.8Very high0 Ų028.4 Ų28.40%014%0.135CC..Hα-helixtrans-87-4.9-177.6-72.2174000113.9W50 V308 L309 L354 V355 Q356 V361 I362 V379 C382 L383W50-L358 HydrophobicContact CH2-CB 3.94Å; W50-L358 HydrophobicContact CZ2-CB 4.37Å; V308-L358 WeakPolarHBondContact O-CD2 3.41Å; L309-L358 HydrophobicContact CD2-CD2 4.01Å; L354-L358 HydrophobicContact CD1-CD1 3.86Å; L354-L358 HydrophobicContact CD1-CG 4.02Å; L354-L358 HydrophobicContact CD2-CD1 4.46Å; L354-L358 HydrophobicContact CG-CD1 3.78Å; L354-L358 HydrophobicContact CG-CG 4.34Å; L354-L358 WeakPolarHBondContact O-CB 3.27Å; L354-L358 VanDerWaalsContact O-CG 3.24Å; L354-L358 WeakPolarHBondContact O-CG 3.26Å; L354-L358 PolarHBondContact O-N 3.36Å; V355-L358 PolarHBondContact O-N 2.79Å; Q356-L358 VanDerWaalsContact C-N 3.31Å; Q356-L358 PolarHBondContact O-N 3.31Å; L358-V361 HydrophobicContact CD2-CB 4.39Å; L358-V361 HydrophobicContact CD2-CG2 3.99Å; L358-V361 WeakPolarHBondContact O-CA 3.43Å; L358-V361 VanDerWaalsContact O-CB 3.32Å; L358-V361 WeakPolarHBondContact O-CB 3.36Å; L358-V361 PolarHBondContact O-N 3.24Å; L358-I362 PolarHBondContact O-N 3.41Å; L358-V379 HydrophobicContact CD1-CB 4.48Å; L358-V379 HydrophobicContact CD1-CG1 4.02Å; L358-V379 HydrophobicContact CD2-CG1 3.97Å; L358-C382 HydrophobicContact CD1-CB 3.5Å; L358-C382 VanDerWaalsContact CD1-CB 3.5Å; L358-L383 HydrophobicContact CD1-CD2 4.49Å
359E97.6Very high97.6Very high34 Ų3431.9 Ų31.916%0.15915%0.148CC..Hα-helixtrans-52.5-47.3178179.1-179.9170.400113.3Y47 W50 R222 V355 Q356 V361 I362 M363Y47-E359 HydrophobicContact CE2-CG 4.35Å; Y47-E359 PolarHBondContact OH-OE1 3.27Å; W50-E359 HydrophobicContact CZ3-CB 4.21Å; R222-E359 IonicContact CZ-OE1 3.52Å; R222-E359 VanDerWaalsContact CZ-OE1 3.25Å; R222-E359 IonicContact CZ-OE2 3.8Å; R222-E359 VanDerWaalsContact CZ-OE2 3.29Å; R222-E359 IonicContact NE-OE1 3.33Å; R222-E359 IonicContact NH1-OE2 3.36Å; R222-E359 PolarHBondContact NH1-OE2 3.09Å; R222-E359 IonicContact NH2-OE1 2.65Å; R222-E359 PolarHBondContact NH2-OE1 3.28Å; R222-E359 IonicContact NH2-OE2 2.73Å; R222-E359 PolarHBondContact NH2-OE2 3.46Å; V355-E359 PolarHBondContact O-N 3.44Å; Q356-E359 PolarHBondContact O-N 3.05Å; E359-V361 PolarHBondContact O-N 2.99Å; E359-I362 PolarHBondContact O-N 3.12Å; E359-M363 HydrophobicContact CG-CG 4.44Å; E359-M363 WeakPolarHBondContact O-CG 3.33Å; E359-M363 PolarHBondContact O-N 3.34Å
360P97.8Very high97.5Very high66 Ų6631.3 Ų31.343%0.42915%0.146SC..Hα-helixtrans-60.5-31177.2-23.735.4000113.4R357 E364R357-P360 WeakPolarHBondContact O-CD 3.35Å; P360-E364 PolarHBondContact O-N 3.1Å
361V98.5Very high97.5Very high0 Ų031.3 Ų31.30%015%0.146CC..Hα-helixtrans-69-42.9175-178.90000110.2W285 W306 V308 L309 L358 E359 M363 E364 L365 L383W285-V361 HydrophobicContact CE3-CG1 4.48Å; W285-V361 HydrophobicContact CZ3-CG1 4.25Å; W306-V361 HydrophobicContact CE3-CG2 4.23Å; V308-V361 HydrophobicContact CB-CG2 4.42Å; V308-V361 HydrophobicContact CG2-CG2 3.56Å; L309-V361 HydrophobicContact CD2-CG1 3.95Å; L309-V361 HydrophobicContact CD2-CG2 4.08Å; L309-V361 HydrophobicContact CG-CG2 4.2Å; L358-V361 HydrophobicContact CD2-CB 4.39Å; L358-V361 HydrophobicContact CD2-CG2 3.99Å; L358-V361 WeakPolarHBondContact O-CA 3.43Å; L358-V361 VanDerWaalsContact O-CB 3.32Å; L358-V361 WeakPolarHBondContact O-CB 3.36Å; L358-V361 PolarHBondContact O-N 3.24Å; E359-V361 PolarHBondContact O-N 2.99Å; V361-M363 VanDerWaalsContact C-N 3.32Å; V361-M363 PolarHBondContact O-N 3.31Å; V361-E364 PolarHBondContact O-N 3.06Å; V361-L365 HydrophobicContact CG1-CD1 4.18Å; V361-L365 HydrophobicContact CG1-CG 4.32Å; V361-L365 WeakPolarHBondContact O-CB 3.33Å; V361-L365 WeakPolarHBondContact O-CG 3.47Å; V361-L365 PolarHBondContact O-N 3.5Å; V361-L383 HydrophobicContact CG1-CD2 4.08Å
362I98.3Very high97.5Very high0 Ų031 Ų310%015%0.145CC..Hα-helixtrans-61.8-41.4175.8-65.9-58000111.1W50 L358 E359 L365 E366 L383 Y386 F387W50-I362 HydrophobicContact CE3-CG1 4.3Å; W50-I362 HydrophobicContact CH2-CB 4.5Å; W50-I362 HydrophobicContact CH2-CD1 4.42Å; W50-I362 HydrophobicContact CH2-CG1 3.46Å; W50-I362 VanDerWaalsContact CH2-CG1 3.46Å; W50-I362 HydrophobicContact CZ2-CD1 4.35Å; W50-I362 HydrophobicContact CZ2-CG1 3.86Å; W50-I362 HydrophobicContact CZ3-CB 4.35Å; W50-I362 HydrophobicContact CZ3-CG1 3.71Å; L358-I362 PolarHBondContact O-N 3.41Å; E359-I362 PolarHBondContact O-N 3.12Å; I362-L365 HydrophobicContact CD1-CD1 4.49Å; I362-L365 PolarHBondContact O-N 2.75Å; I362-E366 WeakPolarHBondContact O-CB 3.25Å; I362-E366 WeakPolarHBondContact O-CG 3.4Å; I362-E366 PolarHBondContact O-N 3.25Å; I362-L383 HydrophobicContact CD1-CD2 3.58Å; I362-L383 HydrophobicContact CG1-CD2 4.41Å; I362-Y386 HydrophobicContact CD1-CD1 3.73Å; I362-Y386 HydrophobicContact CD1-CD2 4.46Å; I362-Y386 HydrophobicContact CD1-CE1 4.46Å; I362-Y386 HydrophobicContact CD1-CG 3.72Å; I362-Y386 HydrophobicContact CG1-CG 4.26Å; I362-Y386 HydrophobicContact CG2-CD1 3.84Å; I362-Y386 HydrophobicContact CG2-CD2 3.78Å; I362-Y386 HydrophobicContact CG2-CE1 3.58Å; I362-Y386 HydrophobicContact CG2-CE2 3.51Å; I362-Y386 HydrophobicContact CG2-CG 3.93Å; I362-Y386 VanDerWaalsContact CG2-CZ 3.41Å; I362-F387 HydrophobicContact CD1-CE2 4.41Å
363M97.6Very high97.5Very high2 Ų228 Ų281%0.0113%0.131CC..Hα-helixtrans-62.2-45.3176.9-61.2-59.387.200111.7Y47 Y225 Y226 E359 V361 E366 R367Y47-M363 HydrophobicContact CD2-CE 3.67Å; Y47-M363 HydrophobicContact CE2-CE 3.31Å; Y47-M363 HydrophobicContact CE2-SD 4.02Å; Y225-M363 HydrophobicContact CD1-SD 4.24Å; Y225-M363 HydrophobicContact CE1-CB 4.39Å; Y225-M363 HydrophobicContact CE1-CG 3.66Å; Y225-M363 HydrophobicContact CE1-SD 3.93Å; Y226-M363 HydrophobicContact CD2-CE 3.53Å; Y226-M363 HydrophobicContact CD2-SD 3.86Å; Y226-M363 HydrophobicContact CE2-CE 3.84Å; E359-M363 HydrophobicContact CG-CG 4.44Å; E359-M363 WeakPolarHBondContact O-CG 3.33Å; E359-M363 PolarHBondContact O-N 3.34Å; V361-M363 VanDerWaalsContact C-N 3.32Å; V361-M363 PolarHBondContact O-N 3.31Å; M363-E366 PolarHBondContact O-N 2.94Å; M363-R367 PolarHBondContact O-N 2.68Å; M363-R367 VanDerWaalsContact O-N 3.1Å
364E97.9Very high97.5Very high36 Ų3626.7 Ų26.717%0.16812%0.124CC..Hα-helixtrans-68.7-38.8178.1-167.564.4-16700111.4W285 W306 P360 V361 E366 R367 Q368W285-E364 HydrophobicContact CH2-CB 3.76Å; W285-E364 HydrophobicContact CH2-CG 3.34Å; W285-E364 HydrophobicContact CZ2-CB 4.42Å; W285-E364 HydrophobicContact CZ2-CG 3.53Å; W285-E364 HydrophobicContact CZ3-CB 4.38Å; W285-E364 HydrophobicContact CZ3-CG 4.33Å; W306-E364 HydrophobicContact CH2-CB 4.01Å; W306-E364 HydrophobicContact CH2-CG 3.78Å; W306-E364 HydrophobicContact CZ2-CG 4.26Å; W306-E364 HydrophobicContact CZ3-CB 4.5Å; P360-E364 PolarHBondContact O-N 3.1Å; V361-E364 PolarHBondContact O-N 3.06Å; E364-E366 VanDerWaalsContact C-N 3.28Å; E364-E366 PolarHBondContact O-N 3.06Å; E364-R367 PolarHBondContact O-N 3.27Å; E364-R367 VanDerWaalsContact O-N 3.12Å; E364-R367 IonicContact OE1-CZ 3.57Å; E364-R367 IonicContact OE1-NE 2.77Å; E364-R367 PolarHBondContact OE1-NE 2.77Å; E364-R367 IonicContact OE1-NH2 3.49Å; E364-R367 PolarHBondContact OE1-NH2 2.76Å; E364-R367 IonicContact OE2-CZ 3.63Å; E364-R367 IonicContact OE2-NE 3.21Å; E364-R367 PolarHBondContact OE2-NE 3.07Å; E364-R367 IonicContact OE2-NH2 2.88Å; E364-R367 PolarHBondContact OE2-NH2 3.25Å; E364-Q368 HydrophobicContact CG-CG 4.15Å; E364-Q368 WeakPolarHBondContact O-CB 3.49Å; E364-Q368 VanDerWaalsContact O-CG 3.26Å; E364-Q368 WeakPolarHBondContact O-CG 3.45Å; E364-Q368 PolarHBondContact O-N 2.87Å; E364-Q368 PolarHBondContact OE1-NE2 2.86Å
365L97.6Very high97.5Very high0 Ų026.7 Ų26.70%012%0.124CC..Hα-helixtrans-61.9-36171.9-74.5177000111.8R235 I237 W285 V361 I362 R367 V371 V373 L383 F387R235-L365 PolarHBondContact NH1-O 2.79Å; R235-L365 PolarHBondContact NH2-O 3.18Å; I237-L365 HydrophobicContact CG2-CD2 4.14Å; W285-L365 HydrophobicContact CE3-CD2 4.14Å; W285-L365 HydrophobicContact CH2-CD2 3.9Å; W285-L365 HydrophobicContact CH2-CG 4.27Å; W285-L365 HydrophobicContact CZ3-CD2 3.4Å; W285-L365 HydrophobicContact CZ3-CG 3.68Å; V361-L365 HydrophobicContact CG1-CD1 4.18Å; V361-L365 HydrophobicContact CG1-CG 4.32Å; V361-L365 WeakPolarHBondContact O-CB 3.33Å; V361-L365 WeakPolarHBondContact O-CG 3.47Å; V361-L365 PolarHBondContact O-N 3.5Å; I362-L365 HydrophobicContact CD1-CD1 4.49Å; I362-L365 PolarHBondContact O-N 2.75Å; L365-R367 VanDerWaalsContact C-N 3.27Å; L365-R367 PolarHBondContact O-N 2.82Å; L365-V371 HydrophobicContact CD2-CB 4.05Å; L365-V371 HydrophobicContact CD2-CG1 3.93Å; L365-V371 HydrophobicContact CD2-CG2 4.34Å; L365-V373 HydrophobicContact CD2-CG2 3.93Å; L365-L383 HydrophobicContact CD1-CD2 4.19Å; L365-F387 HydrophobicContact CB-CZ 3.94Å; L365-F387 HydrophobicContact CD1-CE2 3.72Å; L365-F387 HydrophobicContact CD1-CZ 3.96Å
366E95.9Very high97.6Very high0 Ų026.6 Ų26.60%012%0.123CC..Hα-helixtrans-67.6-28.8175.6-79.2-68.9179.400112.6K43 R46 Y226 N229 I230 H231 R235 I362 M363 E364 Y386K43-E366 IonicContact NZ-OE1 3.24Å; K43-E366 IonicContact NZ-OE2 2.78Å; K43-E366 PolarHBondContact NZ-OE2 2.9Å; R46-E366 IonicContact NH2-OE1 2.79Å; R46-E366 PolarHBondContact NH2-OE1 3.43Å; Y226-E366 HydrophobicContact CE2-CG 4.17Å; N229-E366 CarbonylContact O-C 3.57Å; N229-E366 VanDerWaalsContact O-O 3.12Å; I230-E366 HydrophobicContact CG2-CB 4.16Å; I230-E366 HydrophobicContact CG2-CG 4.25Å; H231-E366 PolarHBondContact CD2-O 3.11Å; H231-E366 PolarHBondContact NE2-O 3.06Å; R235-E366 VanDerWaalsContact NH2-CA 3.27Å; R235-E366 PolarHBondContact NH2-O 3.22Å; R235-E366 IonicContact NH2-OE2 2.7Å; I362-E366 WeakPolarHBondContact O-CB 3.25Å; I362-E366 WeakPolarHBondContact O-CG 3.4Å; I362-E366 PolarHBondContact O-N 3.25Å; M363-E366 PolarHBondContact O-N 2.94Å; E364-E366 VanDerWaalsContact C-N 3.28Å; E364-E366 PolarHBondContact O-N 3.06Å; E366-Y386 VanDerWaalsContact CD-OH 3.29Å; E366-Y386 HydrophobicContact CG-CE1 4.22Å; E366-Y386 WeakPolarHBondContact CG-OH 3.4Å; E366-Y386 VanDerWaalsContact OE1-CE1 3.25Å; E366-Y386 WeakPolarHBondContact OE1-CE1 3.1Å; E366-Y386 VanDerWaalsContact OE1-CZ 3.3Å; E366-Y386 PolarHBondContact OE1-OH 3.02Å
367R95.2Very high97.7Very high125 Ų12521.9 Ų21.947%0.47210%0.101SC..Hα-helixtrans-85.6-31.3-178.9-167.5178.978.596.3-5.6114.7N229 M363 E364 L365N229-R367 VanDerWaalsContact O-CA 3.23Å; N229-R367 WeakPolarHBondContact O-CA 3.49Å; N229-R367 PolarHBondContact O-N 3.09Å; N229-R367 WeakPolarHBondContact OD1-CD 3.33Å; M363-R367 PolarHBondContact O-N 2.68Å; M363-R367 VanDerWaalsContact O-N 3.1Å; E364-R367 PolarHBondContact O-N 3.27Å; E364-R367 VanDerWaalsContact O-N 3.12Å; E364-R367 IonicContact OE1-CZ 3.57Å; E364-R367 IonicContact OE1-NE 2.77Å; E364-R367 PolarHBondContact OE1-NE 2.77Å; E364-R367 IonicContact OE1-NH2 3.49Å; E364-R367 PolarHBondContact OE1-NH2 2.76Å; E364-R367 IonicContact OE2-CZ 3.63Å; E364-R367 IonicContact OE2-NE 3.21Å; E364-R367 PolarHBondContact OE2-NE 3.07Å; E364-R367 IonicContact OE2-NH2 2.88Å; E364-R367 PolarHBondContact OE2-NH2 3.25Å; L365-R367 VanDerWaalsContact C-N 3.27Å; L365-R367 PolarHBondContact O-N 2.82Å
368Q95.1Very high97.7Very high18 Ų1819.5 Ų19.58%0.0849%0.093CC..  trans-83160.1-175.6-70.6-53.7-32.800113.1H231 R235 K283 W285 E364 V371H231-Q368 PolarHBondContact NE2-O 2.89Å; H231-Q368 VanDerWaalsContact NE2-O 3.14Å; R235-Q368 WeakPolarHBondContact CD-O 3.29Å; R235-Q368 PolarHBondContact NE-O 3.32Å; R235-Q368 PolarHBondContact NH1-O 2.82Å; K283-Q368 HydrophobicContact CD-CG 4.31Å; W285-Q368 HydrophobicContact CH2-CG 4.01Å; W285-Q368 HydrophobicContact CZ2-CG 3.78Å; E364-Q368 HydrophobicContact CG-CG 4.15Å; E364-Q368 WeakPolarHBondContact O-CB 3.49Å; E364-Q368 VanDerWaalsContact O-CG 3.26Å; E364-Q368 WeakPolarHBondContact O-CG 3.45Å; E364-Q368 PolarHBondContact O-N 2.87Å; E364-Q368 PolarHBondContact OE1-NE2 2.86Å; Q368-V371 HydrophobicContact CB-CG2 3.38Å; Q368-V371 HydrophobicContact CG-CG2 4.03Å
369E94.3Very high97.7Very high84 Ų8419.5 Ų19.539%0.3939%0.093SC..SBendtrans-84-102.7169.5-66.5-174-173.100111.7R235R235-E369 HydrophobicContact CB-CB 4.37Å; R235-E369 WeakPolarHBondContact CD-O 3.06Å; R235-E369 PolarHBondContact NH1-O 2.82Å
370N96.9Very high97.8Very high24 Ų2417.9 Ų17.913%0.1289%0.085CC..SBendtrans-85.7119.4-177.6-61.8-47000111.1S236 I279 S280 L282 K283S236-N370 PolarHBondContact N-OD1 2.74Å; S236-N370 VanDerWaalsContact N-OD1 3.07Å; S236-N370 WeakPolarHBondContact O-CA 3.43Å; I279-N370 HydrophobicContact CG2-CB 3.53Å; S280-N370 PolarHBondContact O-ND2 3.4Å; L282-N370 HydrophobicContact CD1-CB 4.3Å; K283-N370 PolarHBondContact N-O 2.75Å
371V98.2Very high97.8Very high0 Ų015 Ų150%07%0.065CC..EExtended strand (participates in β ladder)trans-135134-178-172.70000110.8S236 I237 Y238 K283 W285 L365 Q368 V373S236-V371 PolarHBondContact O-N 3.27Å; I237-V371 CarbonylContact C-O 3.56Å; I237-V371 WeakPolarHBondContact CA-O 3.46Å; Y238-V371 PolarHBondContact N-O 2.78Å; K283-V371 HydrophobicContact CB-CG2 4.42Å; K283-V371 CarbonylContact O-C 3.55Å; K283-V371 WeakPolarHBondContact O-CA 3.5Å; W285-V371 HydrophobicContact CD2-CG1 3.75Å; W285-V371 HydrophobicContact CE3-CG1 3.85Å; W285-V371 HydrophobicContact CG-CG1 4.31Å; W285-V371 HydrophobicContact CH2-CG1 4.12Å; W285-V371 HydrophobicContact CH2-CG2 4.41Å; W285-V371 HydrophobicContact CZ2-CG1 4.1Å; W285-V371 HydrophobicContact CZ2-CG2 4.39Å; W285-V371 HydrophobicContact CZ3-CG1 4.05Å; L365-V371 HydrophobicContact CD2-CB 4.05Å; L365-V371 HydrophobicContact CD2-CG1 3.93Å; L365-V371 HydrophobicContact CD2-CG2 4.34Å; Q368-V371 HydrophobicContact CB-CG2 3.38Å; Q368-V371 HydrophobicContact CG-CG2 4.03Å; V371-V373 HydrophobicContact CG1-CG2 3.89Å
372L98.7Very high97.8Very high0 Ų015 Ų150%07%0.065CC..EExtended strand (participates in β ladder)trans-103.9121.4164.8170.364.8000109.3Y238 I274 L282 K283 V284 W285 L299 I374Y238-L372 CarbonylContact O-C 3.6Å; Y238-L372 WeakPolarHBondContact O-CA 3.22Å; I274-L372 HydrophobicContact CD1-CD2 4Å; I274-L372 HydrophobicContact CG1-CD2 4.06Å; L282-L372 HydrophobicContact CD1-CB 4.02Å; L282-L372 HydrophobicContact CD2-CB 4.32Å; L282-L372 HydrophobicContact CG-CB 4.44Å; K283-L372 PolarHBondContact O-N 3.06Å; V284-L372 CarbonylContact C-O 3.49Å; V284-L372 WeakPolarHBondContact CA-O 3.48Å; V284-L372 HydrophobicContact CG1-CD2 4.29Å; V284-L372 HydrophobicContact CG2-CB 4.44Å; V284-L372 HydrophobicContact CG2-CD2 4.37Å; W285-L372 PolarHBondContact N-O 3.2Å; L299-L372 HydrophobicContact CD1-CD2 3.8Å; L372-I374 HydrophobicContact CD1-CG1 4.36Å; L372-I374 HydrophobicContact CD2-CD1 4.21Å; L372-I374 HydrophobicContact CD2-CG1 4.23Å; L372-I374 HydrophobicContact CG-CG1 4.08Å
373V98.9Very high97.9Very high0 Ų015 Ų150%07%0.065CC..EExtended strand (participates in β ladder)trans-110112174.6-171.30000109.4Y238 L239 C240 W285 L309 L365 V371 C375 L383Y238-V373 PolarHBondContact O-N 3.49Å; L239-V373 HydrophobicContact CD2-CB 3.7Å; L239-V373 HydrophobicContact CD2-CG2 3.9Å; C240-V373 PolarHBondContact N-O 2.77Å; C240-V373 VanDerWaalsContact N-O 3.09Å; C240-V373 VanDerWaalsContact O-O 3.1Å; W285-V373 HydrophobicContact CE3-CG2 3.92Å; L309-V373 HydrophobicContact CD1-CG1 3.82Å; L309-V373 HydrophobicContact CD2-CG1 4Å; L365-V373 HydrophobicContact CD2-CG2 3.93Å; V371-V373 HydrophobicContact CG1-CG2 3.89Å; V373-C375 HydrophobicContact CG1-CB 4.1Å; V373-L383 HydrophobicContact CG1-CD1 4.14Å
374I98.9Very high97.9Very high0 Ų015.1 Ų15.10%07%0.066CC..EExtended strand (participates in β ladder)trans-96.4104.2173.6-55.4168.2000108C240 L270 V284 W285 T286 T292 T295 A296 L299 L372C240-I374 WeakPolarHBondContact O-CA 3.33Å; L270-I374 HydrophobicContact CD2-CD1 4.04Å; L270-I374 HydrophobicContact CD2-CG1 4.34Å; V284-I374 HydrophobicContact CG1-CD1 4.14Å; W285-I374 PolarHBondContact O-N 2.75Å; T286-I374 WeakPolarHBondContact CA-O 3.4Å; T286-I374 HydrophobicContact CG2-CB 4.33Å; T292-I374 WeakPolarHBondContact CB-O 3.34Å; T292-I374 HydrophobicContact CG2-CG2 4.26Å; T292-I374 VanDerWaalsContact CG2-O 3.3Å; T292-I374 WeakPolarHBondContact CG2-O 3.46Å; T295-I374 HydrophobicContact CG2-CD1 4.22Å; T295-I374 HydrophobicContact CG2-CG2 3.91Å; A296-I374 HydrophobicContact CB-CD1 3.86Å; L299-I374 HydrophobicContact CD1-CD1 4.05Å; L372-I374 HydrophobicContact CD1-CG1 4.36Å; L372-I374 HydrophobicContact CD2-CD1 4.21Å; L372-I374 HydrophobicContact CD2-CG1 4.23Å; L372-I374 HydrophobicContact CG-CG1 4.08Å
375C98.9Very high97.9Very high0 Ų013.4 Ų13.40%06%0.059CC..EExtended strand (participates in β ladder)trans-132.7-143.5-17161.40000112.1C240 R241 H242 V373 V379C240-C375 PolarHBondContact O-N 3.19Å; R241-C375 CarbonylContact C-O 3.58Å; R241-C375 VanDerWaalsContact CA-O 3.29Å; R241-C375 WeakPolarHBondContact CA-O 3.5Å; H242-C375 PolarHBondContact CD2-O 3.17Å; H242-C375 VanDerWaalsContact CD2-O 3.25Å; H242-C375 PolarHBondContact N-O 2.91Å; V373-C375 HydrophobicContact CG1-CB 4.1Å; C375-V379 HydrophobicContact CB-CB 4.23Å; C375-V379 HydrophobicContact CB-CG1 3.77Å
376H98.9Very high98Very high0 Ų013.4 Ų13.40%06%0.059CC..  trans-133.1177.5-170.2-51.1-90.4000111.5H242 S287 M289 R291 L309 E311 V379 M380H242-H376 AromaticContact CD2-CE1 3.86Å; H242-H376 AromaticContact CD2-ND1 3.19Å; H242-H376 PolarHBondContact CD2-ND1 3.4Å; H242-H376 AromaticContact NE2-ND1 3.52Å; S287-H376 VanDerWaalsContact CB-NE2 3.33Å; S287-H376 WeakPolarHBondContact CB-NE2 3.3Å; S287-H376 PolarHBondContact OG-NE2 2.89Å; M289-H376 PolarHBondContact SD-CE1 3.2Å; M289-H376 PolarHBondContact SD-NE2 3.14Å; R291-H376 VanDerWaalsContact CZ-CE1 3.4Å; R291-H376 PolarHBondContact NE-CE1 2.88Å; R291-H376 PolarHBondContact NE-ND1 2.9Å; R291-H376 PolarHBondContact NH2-CE1 3.14Å; R291-H376 VanDerWaalsContact NH2-CE1 3.26Å; R291-H376 PolarHBondContact NH2-ND1 3.21Å; L309-H376 PolarHBondContact O-CD2 2.97Å; L309-H376 VanDerWaalsContact O-CD2 3.23Å; E311-H376 HydrophobicContact CB-CB 3.77Å; E311-H376 HydrophobicContact CG-CB 3.91Å; E311-H376 PolarHBondContact N-CD2 2.84Å; E311-H376 VanDerWaalsContact N-CD2 3.34Å; E311-H376 WeakPolarHBondContact OE1-CB 3.39Å; E311-H376 WeakPolarHBondContact OE2-CB 3.39Å; H376-V379 HydrophobicContact CB-CG2 4.47Å; H376-M380 WeakPolarHBondContact O-CB 3.44Å; H376-M380 PolarHBondContact O-N 2.84Å
377Q98.8Very high98Very high18 Ų1813.5 Ų13.58%0.0846%0.059CC..Hα-helixtrans-67.6-48.5-171.7-175.8167.5-9800112.1E311 R381 T429E311-Q377 PolarHBondContact OE2-N 3.45Å; Q377-R381 WeakPolarHBondContact O-CG 3.5Å; Q377-R381 PolarHBondContact O-N 2.92Å; Q377-T429 PolarHBondContact NE2-O 2.91Å; Q377-T429 PolarHBondContact OE1-O 2.74Å; Q377-T429 PolarHBondContact OE1-OG1 3.37Å
378A98.8Very high98.1Very high2 Ų29.9 Ų9.92%0.0175%0.049CC..Hα-helixtrans-72.3-40.1-178.500000111.5E311 I312 Y351 L354 R381 C382E311-A378 WeakPolarHBondContact OE1-CB 3.19Å; E311-A378 PolarHBondContact OE1-N 3.43Å; E311-A378 VanDerWaalsContact OE1-N 3.1Å; E311-A378 PolarHBondContact OE2-N 2.84Å; I312-A378 HydrophobicContact CB-CB 3.76Å; I312-A378 HydrophobicContact CG2-CB 3.51Å; Y351-A378 HydrophobicContact CD1-CB 4.46Å; Y351-A378 HydrophobicContact CE1-CB 3.55Å; Y351-A378 WeakPolarHBondContact OH-CB 3.47Å; L354-A378 HydrophobicContact CD2-CB 3.74Å; A378-R381 WeakPolarHBondContact O-CB 3.33Å; A378-R381 PolarHBondContact O-N 3.09Å; A378-C382 PolarHBondContact O-N 3.18Å; A378-C382 VanDerWaalsContact O-N 3.15Å; A378-C382 PolarHBondContact O-SG 3.37Å
379V98.9Very high98.2Very high0 Ų014.1 Ų14.10%07%0.072CC..Hα-helixtrans-58.8-50.6175.4176.10000111.5L309 N310 E311 L354 L358 C375 H376 R381 C382 L383L309-V379 HydrophobicContact CD2-CG1 3.77Å; N310-V379 VanDerWaalsContact O-CG2 3.24Å; N310-V379 WeakPolarHBondContact O-CG2 3.43Å; E311-V379 PolarHBondContact OE1-N 3.04Å; L354-V379 HydrophobicContact CD1-CG2 4.16Å; L354-V379 HydrophobicContact CD2-CG2 4.4Å; L358-V379 HydrophobicContact CD1-CB 4.48Å; L358-V379 HydrophobicContact CD1-CG1 4.02Å; L358-V379 HydrophobicContact CD2-CG1 3.97Å; C375-V379 HydrophobicContact CB-CB 4.23Å; C375-V379 HydrophobicContact CB-CG1 3.77Å; H376-V379 HydrophobicContact CB-CG2 4.47Å; V379-R381 VanDerWaalsContact C-N 3.28Å; V379-R381 PolarHBondContact O-N 3.19Å; V379-C382 WeakPolarHBondContact O-CB 3.42Å; V379-C382 PolarHBondContact O-N 3.27Å; V379-C382 VanDerWaalsContact O-N 3.11Å; V379-L383 HydrophobicContact CG1-CD1 4.27Å; V379-L383 HydrophobicContact CG1-CG 4.5Å; V379-L383 WeakPolarHBondContact O-CG 3.36Å; V379-L383 PolarHBondContact O-N 3.19Å
380M98.9Very high98.4Very high1 Ų113.7 Ų13.71%0.0057%0.069CC..Hα-helixtrans-62.1-36.2-179.3-171.6170171.100112L239 R241 H376 L383 L384 C400 L406L239-M380 HydrophobicContact CB-CE 3.85Å; L239-M380 HydrophobicContact CB-CG 4.28Å; L239-M380 HydrophobicContact CB-SD 4.45Å; L239-M380 WeakPolarHBondContact O-CE 3.37Å; R241-M380 HydrophobicContact CG-SD 3.9Å; H376-M380 WeakPolarHBondContact O-CB 3.44Å; H376-M380 PolarHBondContact O-N 2.84Å; M380-L383 PolarHBondContact O-N 3.17Å; M380-L384 HydrophobicContact CE-CD1 4.31Å; M380-L384 HydrophobicContact CG-CD1 4.09Å; M380-L384 HydrophobicContact CG-CG 4.38Å; M380-L384 WeakPolarHBondContact O-CB 3.45Å; M380-L384 VanDerWaalsContact O-CG 3.27Å; M380-L384 WeakPolarHBondContact O-CG 3.22Å; M380-L384 PolarHBondContact O-N 2.73Å; M380-C400 HydrophobicContact CB-CB 4.3Å; M380-C400 HydrophobicContact CE-CB 4.4Å; M380-C400 HydrophobicContact CG-CB 4.12Å; M380-C400 HydrophobicContact SD-CB 3.84Å; M380-L406 HydrophobicContact CE-CB 4.01Å; M380-L406 HydrophobicContact CE-CD1 3.49Å; M380-L406 VanDerWaalsContact CE-CD1 3.49Å; M380-L406 HydrophobicContact CE-CG 3.58Å
381R98.9Very high98.4Very high4 Ų416.1 Ų16.12%0.0158%0.084CC..Hα-helixtrans-59.6-46.5172.7-74.5172.5167.1154.9-0.1112Y351 Q377 A378 V379 L384 A385 L395 P396 L398 H430Y351-R381 HydrophobicContact CE1-CB 4.29Å; Y351-R381 WeakPolarHBondContact OH-CD 3.4Å; Y351-R381 PolarHBondContact OH-NH1 3.22Å; Q377-R381 WeakPolarHBondContact O-CG 3.5Å; Q377-R381 PolarHBondContact O-N 2.92Å; A378-R381 WeakPolarHBondContact O-CB 3.33Å; A378-R381 PolarHBondContact O-N 3.09Å; V379-R381 VanDerWaalsContact C-N 3.28Å; V379-R381 PolarHBondContact O-N 3.19Å; R381-L384 PolarHBondContact O-N 3.45Å; R381-A385 WeakPolarHBondContact O-CB 3.29Å; R381-A385 PolarHBondContact O-N 2.89Å; R381-L395 HydrophobicContact CB-CD2 4.43Å; R381-L395 WeakPolarHBondContact CB-O 3.48Å; R381-P396 PolarHBondContact NE-O 3.12Å; R381-P396 PolarHBondContact NH1-O 3.31Å; R381-P396 VanDerWaalsContact NH1-O 3.12Å; R381-L398 HydrophobicContact CB-CB 4.5Å; R381-L398 HydrophobicContact CG-CB 4.06Å; R381-L398 PolarHBondContact NE-O 3.14Å; R381-L398 PolarHBondContact NH2-O 2.94Å; R381-H430 PolarHBondContact NH2-CE1 3.44Å; R381-H430 PolarHBondContact NH2-ND1 3.03Å
382C98.9Very high98.3Very high0 Ų017.9 Ų17.90%010%0.099CC..Hα-helixtrans-61.7-44.7178.2-67.40000112.1W50 L354 V355 L358 A378 V379 A385 Y386W50-C382 HydrophobicContact CZ2-CB 4.37Å; W50-C382 PolarHBondContact NE1-O 2.83Å; W50-C382 VanDerWaalsContact NE1-O 3.07Å; L354-C382 VanDerWaalsContact CD2-SG 3.58Å; V355-C382 HydrophobicContact CG2-CB 4.41Å; L358-C382 HydrophobicContact CD1-CB 3.5Å; L358-C382 VanDerWaalsContact CD1-CB 3.5Å; A378-C382 PolarHBondContact O-N 3.18Å; A378-C382 VanDerWaalsContact O-N 3.15Å; A378-C382 PolarHBondContact O-SG 3.37Å; V379-C382 WeakPolarHBondContact O-CB 3.42Å; V379-C382 PolarHBondContact O-N 3.27Å; V379-C382 VanDerWaalsContact O-N 3.11Å; C382-A385 PolarHBondContact O-N 3.45Å; C382-Y386 PolarHBondContact O-N 2.96Å
383L98.8Very high98.2Very high0 Ų025.1 Ų25.10%013%0.133CC..Hα-helixtrans-63.8-45.4177.6-61.1-179.6000111.4L239 L309 L358 V361 I362 L365 V373 V379 M380 A385 Y386 F387L239-L383 HydrophobicContact CD1-CB 3.92Å; L239-L383 HydrophobicContact CD2-CD1 4.05Å; L309-L383 HydrophobicContact CD2-CD1 4.48Å; L358-L383 HydrophobicContact CD1-CD2 4.49Å; V361-L383 HydrophobicContact CG1-CD2 4.08Å; I362-L383 HydrophobicContact CD1-CD2 3.58Å; I362-L383 HydrophobicContact CG1-CD2 4.41Å; L365-L383 HydrophobicContact CD1-CD2 4.19Å; V373-L383 HydrophobicContact CG1-CD1 4.14Å; V379-L383 HydrophobicContact CG1-CD1 4.27Å; V379-L383 HydrophobicContact CG1-CG 4.5Å; V379-L383 WeakPolarHBondContact O-CG 3.36Å; V379-L383 PolarHBondContact O-N 3.19Å; M380-L383 PolarHBondContact O-N 3.17Å; L383-A385 VanDerWaalsContact C-N 3.35Å; L383-A385 PolarHBondContact O-N 2.72Å; L383-Y386 WeakPolarHBondContact O-CB 3.39Å; L383-Y386 PolarHBondContact O-N 3.3Å; L383-F387 WeakPolarHBondContact O-CD2 3.45Å; L383-F387 PolarHBondContact O-N 3.07Å
384L98.4Very high98.1Very high5 Ų528.8 Ų28.83%0.02615%0.15CC..Hα-helixtrans-62.9-41.7177-75.9171.1000112.2L239 M380 R381 Y386 F387 L388 L398 C400 L406 L408L239-L384 HydrophobicContact CD1-CD2 3.87Å; L239-L384 HydrophobicContact CD1-CG 4.02Å; M380-L384 HydrophobicContact CE-CD1 4.31Å; M380-L384 HydrophobicContact CG-CD1 4.09Å; M380-L384 HydrophobicContact CG-CG 4.38Å; M380-L384 WeakPolarHBondContact O-CB 3.45Å; M380-L384 VanDerWaalsContact O-CG 3.27Å; M380-L384 WeakPolarHBondContact O-CG 3.22Å; M380-L384 PolarHBondContact O-N 2.73Å; R381-L384 PolarHBondContact O-N 3.45Å; L384-Y386 PolarHBondContact O-N 3.28Å; L384-F387 PolarHBondContact O-N 3.01Å; L384-L388 HydrophobicContact CB-CD1 4.47Å; L384-L388 HydrophobicContact CD2-CD1 4.23Å; L384-L388 VanDerWaalsContact O-CB 3.25Å; L384-L388 WeakPolarHBondContact O-CB 3.49Å; L384-L388 WeakPolarHBondContact O-CG 3.33Å; L384-L388 PolarHBondContact O-N 3.28Å; L384-L398 HydrophobicContact CB-CD1 4.06Å; L384-C400 WeakPolarHBondContact CD1-SG 3.02Å; L384-L406 HydrophobicContact CD1-CD1 3.46Å; L384-L406 VanDerWaalsContact CD1-CD1 3.46Å; L384-L406 HydrophobicContact CD2-CD1 3.61Å; L384-L406 HydrophobicContact CG-CD1 4.13Å; L384-L408 HydrophobicContact CD2-CD1 4.22Å; L384-L408 HydrophobicContact CD2-CD2 4.03Å
385A98.5Very high98.1Very high1 Ų128.9 Ų28.91%0.00815%0.151CC..Hα-helixtrans-60.9-36.7178.700000112.1R381 C382 L383 D389 K390 L395 L398R381-A385 WeakPolarHBondContact O-CB 3.29Å; R381-A385 PolarHBondContact O-N 2.89Å; C382-A385 PolarHBondContact O-N 3.45Å; L383-A385 VanDerWaalsContact C-N 3.35Å; L383-A385 PolarHBondContact O-N 2.72Å; A385-D389 WeakPolarHBondContact O-CA 3.49Å; A385-D389 PolarHBondContact O-N 2.94Å; A385-K390 HydrophobicContact CB-CB 3.86Å; A385-K390 PolarHBondContact O-N 3.48Å; A385-L395 HydrophobicContact CB-CB 3.78Å; A385-L395 HydrophobicContact CB-CD1 3.48Å; A385-L395 VanDerWaalsContact CB-CD1 3.48Å; A385-L395 HydrophobicContact CB-CG 3.46Å; A385-L395 VanDerWaalsContact CB-CG 3.46Å; A385-L398 HydrophobicContact CB-CD1 3.84Å
386Y98.4Very high98.1Very high0 Ų029 Ų290%015%0.151CC..Hα-helixtrans-61.9-53.1172.4174.8-98000111.9R46 Y47 W50 Y226 I362 E366 C382 L383 L384 L388R46-Y386 WeakPolarHBondContact CD-O 3.37Å; R46-Y386 PolarHBondContact NE-O 2.94Å; Y47-Y386 HydrophobicContact CD2-CE2 4.36Å; W50-Y386 HydrophobicContact CB-CD2 4.02Å; W50-Y386 AromaticContact CD2-CD2 3.99Å; W50-Y386 HydrophobicContact CD2-CD2 3.99Å; W50-Y386 HydrophobicContact CE3-CD2 4.34Å; W50-Y386 AromaticContact CG-CD2 3.83Å; W50-Y386 HydrophobicContact CG-CD2 3.83Å; W50-Y386 HydrophobicContact CG-CG 4.45Å; Y226-Y386 WeakPolarHBondContact CE2-OH 3.22Å; Y226-Y386 PolarHBondContact OH-OH 3.21Å; I362-Y386 HydrophobicContact CD1-CD1 3.73Å; I362-Y386 HydrophobicContact CD1-CD2 4.46Å; I362-Y386 HydrophobicContact CD1-CE1 4.46Å; I362-Y386 HydrophobicContact CD1-CG 3.72Å; I362-Y386 HydrophobicContact CG1-CG 4.26Å; I362-Y386 HydrophobicContact CG2-CD1 3.84Å; I362-Y386 HydrophobicContact CG2-CD2 3.78Å; I362-Y386 HydrophobicContact CG2-CE1 3.58Å; I362-Y386 HydrophobicContact CG2-CE2 3.51Å; I362-Y386 HydrophobicContact CG2-CG 3.93Å; I362-Y386 VanDerWaalsContact CG2-CZ 3.41Å; E366-Y386 VanDerWaalsContact CD-OH 3.29Å; E366-Y386 HydrophobicContact CG-CE1 4.22Å; E366-Y386 WeakPolarHBondContact CG-OH 3.4Å; E366-Y386 VanDerWaalsContact OE1-CE1 3.25Å; E366-Y386 WeakPolarHBondContact OE1-CE1 3.1Å; E366-Y386 VanDerWaalsContact OE1-CZ 3.3Å; E366-Y386 PolarHBondContact OE1-OH 3.02Å; C382-Y386 PolarHBondContact O-N 2.96Å; L383-Y386 WeakPolarHBondContact O-CB 3.39Å; L383-Y386 PolarHBondContact O-N 3.3Å; L384-Y386 PolarHBondContact O-N 3.28Å; Y386-L388 PolarHBondContact O-N 3.47Å
387F97.4Very high98.1Very high2 Ų231 Ų311%0.00916%0.159CC..Hα-helixtrans-72.3-30.3-174.9-71.9-70.6000113.8R46 I237 I362 L365 L383 L384 L408 C415R46-F387 PolarHBondContact NH1-O 3.41Å; I237-F387 HydrophobicContact CD1-CD1 4.24Å; I237-F387 HydrophobicContact CD1-CE1 3.48Å; I237-F387 VanDerWaalsContact CD1-CE1 3.48Å; I237-F387 HydrophobicContact CD1-CE2 4.05Å; I237-F387 HydrophobicContact CD1-CZ 3.39Å; I362-F387 HydrophobicContact CD1-CE2 4.41Å; L365-F387 HydrophobicContact CB-CZ 3.94Å; L365-F387 HydrophobicContact CD1-CE2 3.72Å; L365-F387 HydrophobicContact CD1-CZ 3.96Å; L383-F387 WeakPolarHBondContact O-CD2 3.45Å; L383-F387 PolarHBondContact O-N 3.07Å; L384-F387 PolarHBondContact O-N 3.01Å; F387-L408 HydrophobicContact CB-CD1 3.89Å; F387-L408 HydrophobicContact CD2-CD1 3.67Å; F387-L408 HydrophobicContact CG-CD1 3.87Å; F387-C415 HydrophobicContact CB-CB 4.4Å; F387-C415 VanDerWaalsContact O-CB 3.26Å; F387-C415 WeakPolarHBondContact O-CB 3.36Å
388L96.8Very high98.1Very high49 Ų4931.5 Ų31.526%0.25716%0.162SC..THydrogen-bonded Turntrans-97.46.3-178.1-56.8-177.9000113.6L384 Y386 K390 L408 C415 V417L384-L388 HydrophobicContact CB-CD1 4.47Å; L384-L388 HydrophobicContact CD2-CD1 4.23Å; L384-L388 VanDerWaalsContact O-CB 3.25Å; L384-L388 WeakPolarHBondContact O-CB 3.49Å; L384-L388 WeakPolarHBondContact O-CG 3.33Å; L384-L388 PolarHBondContact O-N 3.28Å; Y386-L388 PolarHBondContact O-N 3.47Å; L388-K390 HydrophobicContact CB-CG 3.98Å; L388-K390 PolarHBondContact O-N 3.33Å; L388-L408 HydrophobicContact CD2-CD2 4.38Å; L388-C415 HydrophobicContact CD2-CB 4.25Å; L388-V417 HydrophobicContact CD2-CB 4.22Å; L388-V417 HydrophobicContact CD2-CG1 4.29Å
389D96.7Very high98Very high106 Ų10637.5 Ų37.557%0.56719%0.188SC*.THydrogen-bonded Turntrans53.151178.1-163.429.1000112.4R46 A385R46-D389 HydrophobicContact CG-CB 4.23Å; R46-D389 WeakPolarHBondContact CG-OD1 3.33Å; A385-D389 WeakPolarHBondContact O-CA 3.49Å; A385-D389 PolarHBondContact O-N 2.94Å
390K97.8Very high98Very high76 Ų7637.6 Ų37.633%0.3319%0.188SC..  trans-93.4140.6-178.9-60.9-60.4-165.4172.60111.4A385 L388 E394 L398A385-K390 HydrophobicContact CB-CB 3.86Å; A385-K390 PolarHBondContact O-N 3.48Å; L388-K390 HydrophobicContact CB-CG 3.98Å; L388-K390 PolarHBondContact O-N 3.33Å; K390-E394 HydrophobicContact CB-CB 4.35Å; K390-E394 IonicContact NZ-OE1 2.74Å; K390-E394 PolarHBondContact NZ-OE1 3.32Å; K390-L398 HydrophobicContact CB-CD1 4.18Å; K390-L398 HydrophobicContact CD-CD2 4.42Å; K390-L398 HydrophobicContact CG-CD1 4.04Å; K390-L398 HydrophobicContact CG-CD2 3.94Å
391T97.3Very high98Very high74 Ų7440.5 Ų40.545%0.45421%0.207SC..  trans-67.2160.2-179.162.30000111.7E393 E394 L395T391-E393 PolarHBondContact O-N 2.94Å; T391-E394 WeakPolarHBondContact CG2-OE2 3.29Å; T391-E394 PolarHBondContact N-OE2 3.28Å; T391-E394 PolarHBondContact O-N 3.14Å; T391-E394 WeakPolarHBondContact OG1-CG 3.27Å; T391-E394 PolarHBondContact OG1-N 2.84Å; T391-E394 PolarHBondContact OG1-OE2 3.13Å; T391-L395 WeakPolarHBondContact O-CB 3.46Å; T391-L395 PolarHBondContact O-N 2.86Å
392A96.2Very high98Very high37 Ų3740.9 Ų40.931%0.30621%0.21SC..THydrogen-bonded Turntrans-57-29.3173.500000112.8Y341 P396Y341-A392 WeakPolarHBondContact CB-O 3.46Å; Y341-A392 HydrophobicContact CD1-CB 3.77Å; Y341-A392 HydrophobicContact CD2-CB 3.96Å; Y341-A392 VanDerWaalsContact CD2-O 3.31Å; Y341-A392 WeakPolarHBondContact CD2-O 3.25Å; Y341-A392 HydrophobicContact CE1-CB 3.75Å; Y341-A392 HydrophobicContact CE2-CB 3.94Å; Y341-A392 HydrophobicContact CG-CB 3.88Å; A392-P396 WeakPolarHBondContact O-CD 3.38Å
393E96.4Very high98Very high152 Ų15241 Ų4171%0.7121%0.21SC*.THydrogen-bonded Turntrans-75.1-41.1177.3-173.1173.3-172.400112.3T391 Y397T391-E393 PolarHBondContact O-N 2.94Å; E393-Y397 WeakPolarHBondContact O-CD2 3.4Å
394E98.1Very high98Very high77 Ų7741.6 Ų41.636%0.3621%0.214SC..THydrogen-bonded Turntrans-73.2-35.3177.7-70.3168.3101.500112.8K390 T391 Y397 L398K390-E394 HydrophobicContact CB-CB 4.35Å; K390-E394 IonicContact NZ-OE1 2.74Å; K390-E394 PolarHBondContact NZ-OE1 3.32Å; T391-E394 WeakPolarHBondContact CG2-OE2 3.29Å; T391-E394 PolarHBondContact N-OE2 3.28Å; T391-E394 PolarHBondContact O-N 3.14Å; T391-E394 WeakPolarHBondContact OG1-CG 3.27Å; T391-E394 PolarHBondContact OG1-N 2.84Å; T391-E394 PolarHBondContact OG1-OE2 3.13Å; E394-Y397 CarbonylContact O-C 3.55Å; E394-Y397 WeakPolarHBondContact O-CA 3.35Å; E394-Y397 PolarHBondContact O-N 3.39Å; E394-L398 PolarHBondContact O-N 3.17Å
395L98.4Very high98Very high3 Ų341.3 Ų41.32%0.01621%0.212CC..G310 helixtrans-51.1-50.4-169.8177169.5000113.6Y341 Y351 V355 R381 A385 T391 Y397 L398Y341-L395 HydrophobicContact CE2-CD1 4.21Å; Y351-L395 HydrophobicContact CD1-CD2 3.35Å; Y351-L395 HydrophobicContact CE1-CD2 3.9Å; Y351-L395 HydrophobicContact CG-CD2 4.07Å; V355-L395 HydrophobicContact CG2-CD1 3.99Å; R381-L395 HydrophobicContact CB-CD2 4.43Å; R381-L395 WeakPolarHBondContact CB-O 3.48Å; A385-L395 HydrophobicContact CB-CB 3.78Å; A385-L395 HydrophobicContact CB-CD1 3.48Å; A385-L395 VanDerWaalsContact CB-CD1 3.48Å; A385-L395 HydrophobicContact CB-CG 3.46Å; A385-L395 VanDerWaalsContact CB-CG 3.46Å; T391-L395 WeakPolarHBondContact O-CB 3.46Å; T391-L395 PolarHBondContact O-N 2.86Å; L395-Y397 PolarHBondContact O-N 3.35Å; L395-L398 PolarHBondContact O-N 3.37Å
396P98.7Very high98Very high1 Ų142 Ų421%0.00622%0.215CC..G310 helixtrans-64.3-9-179.3-2436000115K340 Y341 Y351 R381 A392K340-P396 HydrophobicContact CB-CB 4Å; K340-P396 HydrophobicContact CB-CG 4.34Å; K340-P396 HydrophobicContact CD-CB 3.77Å; K340-P396 HydrophobicContact CG-CB 3.79Å; K340-P396 PolarHBondContact NZ-O 3.12Å; Y341-P396 HydrophobicContact CD2-CG 4.29Å; Y351-P396 HydrophobicContact CD2-CB 3.85Å; Y351-P396 HydrophobicContact CD2-CG 3.98Å; Y351-P396 HydrophobicContact CE2-CB 3.73Å; Y351-P396 HydrophobicContact CE2-CG 4.37Å; Y351-P396 HydrophobicContact CG-CB 4.3Å; Y351-P396 HydrophobicContact CG-CG 4.09Å; R381-P396 PolarHBondContact NE-O 3.12Å; R381-P396 PolarHBondContact NH1-O 3.31Å; R381-P396 VanDerWaalsContact NH1-O 3.12Å; A392-P396 WeakPolarHBondContact O-CD 3.38Å
397Y98.5Very high98Very high44 Ų4443.7 Ų43.717%0.17322%0.223CC..G310 helixtrans-117.85.8-175.5-57.6-78.9000113.2K340 E393 E394 L395 K399 H430 K433K340-Y397 HydrophobicContact CB-CE2 4.24Å; K340-Y397 WeakPolarHBondContact CB-OH 3.22Å; K340-Y397 HydrophobicContact CD-CD1 4.39Å; K340-Y397 HydrophobicContact CD-CE1 3.61Å; K340-Y397 HydrophobicContact CD-CE2 4.15Å; K340-Y397 VanDerWaalsContact CD-CZ 3.48Å; K340-Y397 WeakPolarHBondContact CD-OH 3.43Å; E393-Y397 WeakPolarHBondContact O-CD2 3.4Å; E394-Y397 CarbonylContact O-C 3.55Å; E394-Y397 WeakPolarHBondContact O-CA 3.35Å; E394-Y397 PolarHBondContact O-N 3.39Å; L395-Y397 PolarHBondContact O-N 3.35Å; Y397-K399 PolarHBondContact O-N 2.89Å; Y397-H430 PolarHBondContact O-CE1 2.96Å; Y397-H430 VanDerWaalsContact O-CE1 3.27Å; Y397-K433 HydrophobicContact CD1-CB 4.37Å; Y397-K433 HydrophobicContact CE1-CB 3.62Å; Y397-K433 HydrophobicContact CE1-CG 4.33Å
398L98.5Very high98Very high27 Ų2743.6 Ų43.614%0.14122%0.223CC..  trans-61.6139.3172.3-62.5173.5000110.8R381 L384 A385 K390 E394 L395 C400R381-L398 HydrophobicContact CB-CB 4.5Å; R381-L398 HydrophobicContact CG-CB 4.06Å; R381-L398 PolarHBondContact NE-O 3.14Å; R381-L398 PolarHBondContact NH2-O 2.94Å; L384-L398 HydrophobicContact CB-CD1 4.06Å; A385-L398 HydrophobicContact CB-CD1 3.84Å; K390-L398 HydrophobicContact CB-CD1 4.18Å; K390-L398 HydrophobicContact CD-CD2 4.42Å; K390-L398 HydrophobicContact CG-CD1 4.04Å; K390-L398 HydrophobicContact CG-CD2 3.94Å; E394-L398 PolarHBondContact O-N 3.17Å; L395-L398 PolarHBondContact O-N 3.37Å; L398-C400 PolarHBondContact O-N 2.97Å
399K98.1Very high98Very high129 Ų12943 Ų4356%0.56122%0.221SC*.  trans-83.6116.4-179.1-68.9-175.7179.7-173.10109.6Y397 E432Y397-K399 PolarHBondContact O-N 2.89Å; K399-E432 WeakPolarHBondContact CE-OE1 3.32Å; K399-E432 IonicContact NZ-OE1 3.38Å; K399-E432 PolarHBondContact NZ-OE1 2.87Å
400C98.2Very high97.6Very high2 Ų239.3 Ų39.31%0.01420%0.203CC..  trans-125.376.2176.1-56.60000108.6R241 M380 L384 L398R241-C400 WeakPolarHBondContact CD-O 3.21Å; R241-C400 PolarHBondContact NH1-O 3.47Å; M380-C400 HydrophobicContact CB-CB 4.3Å; M380-C400 HydrophobicContact CE-CB 4.4Å; M380-C400 HydrophobicContact CG-CB 4.12Å; M380-C400 HydrophobicContact SD-CB 3.84Å; L384-C400 WeakPolarHBondContact CD1-SG 3.02Å; L398-C400 PolarHBondContact O-N 2.97Å
401P98.3Very high97Very high62 Ų6238.5 Ų38.540%0.40320%0.204SC..  trans-60.1151.2-177-2133.5000111.9
402L98.8Very high95.9Very high12 Ų1236 Ų366%0.06319%0.191CC..THydrogen-bonded Turntrans-62.6153.2164.5-76.8169.5000109.6R241 H242 E244 N248 T404 A426 V427 T429R241-L402 HydrophobicContact CB-CD2 4.13Å; H242-L402 WeakPolarHBondContact O-CD2 3.39Å; E244-L402 HydrophobicContact CB-CD1 4.2Å; E244-L402 HydrophobicContact CG-CD1 4.26Å; N248-L402 HydrophobicContact CB-CD1 4.35Å; L402-T404 PolarHBondContact O-N 3.44Å; L402-T404 VanDerWaalsContact O-N 3.14Å; L402-A426 HydrophobicContact CB-CB 3.5Å; L402-A426 VanDerWaalsContact CB-CB 3.5Å; L402-A426 HydrophobicContact CD1-CB 4Å; L402-A426 HydrophobicContact CG-CB 4.4Å; L402-V427 HydrophobicContact CD1-CG2 4.17Å; L402-T429 HydrophobicContact CD1-CG2 4.49Å
403H98.7Very high94.9Very high2 Ų239 Ų391%0.00920%0.195CC..THydrogen-bonded Turntrans62.218173-54.8173.3000116.6E244 F266 L422 V424 D425E244-H403 PolarHBondContact N-NE2 3.32Å; F266-H403 HydrophobicContact CB-CB 4.42Å; F266-H403 WeakPolarHBondContact CB-CD2 3.24Å; F266-H403 WeakPolarHBondContact CB-NE2 3.47Å; F266-H403 AromaticContact CD1-CD2 3.77Å; F266-H403 VanDerWaalsContact CD2-CA 3.4Å; F266-H403 HydrophobicContact CD2-CB 3.58Å; F266-H403 AromaticContact CD2-CD2 3.71Å; F266-H403 AromaticContact CD2-CG 3.75Å; F266-H403 HydrophobicContact CE2-CB 4.09Å; F266-H403 HydrophobicContact CG-CB 4.12Å; F266-H403 AromaticContact CG-CD2 3.29Å; F266-H403 WeakPolarHBondContact CG-CD2 3.35Å; F266-H403 AromaticContact CG-CG 3.74Å; F266-H403 AromaticContact CG-NE2 3.93Å; H403-L422 PolarHBondContact O-N 3.35Å; H403-V424 WeakPolarHBondContact CB-O 3.48Å; H403-V424 PolarHBondContact ND1-O 3.35Å; H403-D425 PolarHBondContact CE1-O 3.4Å; H403-D425 VanDerWaalsContact CE1-O 3.26Å; H403-D425 PolarHBondContact ND1-O 2.88Å
404T98.8Very high94.5Very high12 Ų1233.1 Ų33.17%0.07418%0.175CC..EExtended strand (participates in β ladder)trans-118.3134.2176.8-62.30000109.7C240 L402 L406 S419 I420C240-T404 WeakPolarHBondContact CB-O 3.2Å; L402-T404 PolarHBondContact O-N 3.44Å; L402-T404 VanDerWaalsContact O-N 3.14Å; T404-L406 HydrophobicContact CG2-CD2 4.2Å; T404-S419 VanDerWaalsContact CG2-OG 3.27Å; T404-S419 WeakPolarHBondContact CG2-OG 3.28Å; T404-I420 WeakPolarHBondContact CA-O 3.34Å
405V98.8Very high94.2Very high0 Ų030.5 Ų30.50%017%0.165CC..EExtended strand (participates in β ladder)trans-96.3127.7170.6-177.80000108.5Y238 C240 L270 F273 I420 L422Y238-V405 HydrophobicContact CD1-CG1 3.95Å; C240-V405 HydrophobicContact CB-CG2 4.15Å; L270-V405 HydrophobicContact CD1-CG2 3.53Å; F273-V405 HydrophobicContact CD1-CG2 4.3Å; F273-V405 HydrophobicContact CE1-CB 4.35Å; F273-V405 HydrophobicContact CE1-CG1 4.01Å; F273-V405 HydrophobicContact CE1-CG2 4.32Å; V405-I420 HydrophobicContact CB-CB 4.48Å; V405-I420 PolarHBondContact N-O 3.49Å; V405-I420 PolarHBondContact O-N 2.76Å; V405-L422 HydrophobicContact CG2-CD1 4.05Å; V405-L422 HydrophobicContact CG2-CD2 4.4Å; V405-L422 HydrophobicContact CG2-CG 4.26Å
406L98.7Very high94Very high14 Ų1436.9 Ų36.97%0.07319%0.192CC..EExtended strand (participates in β ladder)trans-97.9112.6167.6-62-172.6000108.7Y238 L239 M380 L384 T404 V417 E418Y238-L406 WeakPolarHBondContact CA-O 3.4Å; L239-L406 PolarHBondContact N-O 3.1Å; L239-L406 PolarHBondContact O-N 2.91Å; M380-L406 HydrophobicContact CE-CB 4.01Å; M380-L406 HydrophobicContact CE-CD1 3.49Å; M380-L406 VanDerWaalsContact CE-CD1 3.49Å; M380-L406 HydrophobicContact CE-CG 3.58Å; L384-L406 HydrophobicContact CD1-CD1 3.46Å; L384-L406 VanDerWaalsContact CD1-CD1 3.46Å; L384-L406 HydrophobicContact CD2-CD1 3.61Å; L384-L406 HydrophobicContact CG-CD1 4.13Å; T404-L406 HydrophobicContact CG2-CD2 4.2Å; L406-V417 HydrophobicContact CB-CG2 4.34Å; L406-V417 HydrophobicContact CD2-CG2 4.35Å; L406-E418 WeakPolarHBondContact CA-O 3.36Å
407K98.5Very high94Very high37 Ų3740.2 Ų40.216%0.16121%0.213CC..EExtended strand (participates in β ladder)trans-89.8120.1172.4178.5-174.6179.8-175.80108.6S236 Y238 V417 E418 I420S236-K407 WeakPolarHBondContact OG-CE 3.26Å; Y238-K407 HydrophobicContact CD1-CB 4.07Å; Y238-K407 HydrophobicContact CD1-CG 4.14Å; Y238-K407 HydrophobicContact CE1-CB 4.05Å; Y238-K407 HydrophobicContact CE1-CD 3.88Å; Y238-K407 HydrophobicContact CE1-CG 3.74Å; K407-V417 WeakPolarHBondContact O-CA 3.34Å; K407-E418 HydrophobicContact CB-CB 4.29Å; K407-E418 PolarHBondContact N-O 3.07Å; K407-E418 PolarHBondContact O-N 3.39Å; K407-I420 HydrophobicContact CB-CD1 4.27Å
408L98.2Very high94Very high0 Ų042.5 Ų42.50%023%0.225CC..EExtended strand (participates in β ladder)trans-105.2125178.6-60.3-179.3000109.1S236 I237 L239 L384 F387 L388 K416 V417S236-L408 WeakPolarHBondContact CA-O 3.33Å; I237-L408 HydrophobicContact CB-CB 4.16Å; I237-L408 PolarHBondContact N-O 3.03Å; I237-L408 WeakPolarHBondContact O-CB 3.35Å; I237-L408 PolarHBondContact O-N 3.32Å; L239-L408 HydrophobicContact CD1-CD1 3.63Å; L239-L408 HydrophobicContact CG-CD1 4.04Å; L384-L408 HydrophobicContact CD2-CD1 4.22Å; L384-L408 HydrophobicContact CD2-CD2 4.03Å; F387-L408 HydrophobicContact CB-CD1 3.89Å; F387-L408 HydrophobicContact CD2-CD1 3.67Å; F387-L408 HydrophobicContact CG-CD1 3.87Å; L388-L408 HydrophobicContact CD2-CD2 4.38Å; L408-K416 WeakPolarHBondContact CA-O 3.11Å; L408-V417 HydrophobicContact CD2-CB 3.89Å; L408-V417 HydrophobicContact CD2-CG2 3.75Å
409T95.6Very high93.9Very high37 Ų3745.2 Ų45.223%0.22725%0.246CC..EExtended strand (participates in β ladder)trans-118.799.1175-50.50000108.2V411 K416T409-V411 PolarHBondContact O-N 3.29Å; T409-K416 PolarHBondContact N-O 3.43Å; T409-K416 PolarHBondContact O-N 3.47Å
410P90.1Very high94Very high27 Ų2741.1 Ų41.118%0.17523%0.23CC..EExtended strand (participates in β ladder)trans-56.4134.6175.4-25.235.3000111.1R235R235-P410 WeakPolarHBondContact O-CD 3.46Å
411V85.3Confident93.9Very high59 Ų5944.1 Ų44.136%0.35825%0.251SS..EExtended strand (participates in β ladder)trans-130.3169.6176.9-66.10000109.7T409 Y413 G414 K416T409-V411 PolarHBondContact O-N 3.29Å; V411-Y413 PolarHBondContact O-N 3.23Å; V411-G414 WeakPolarHBondContact CG2-O 3.45Å; V411-G414 PolarHBondContact N-O 3.11Å; V411-G414 PolarHBondContact O-N 3.16Å; V411-K416 HydrophobicContact CG1-CD 4.29Å; V411-K416 HydrophobicContact CG1-CG 4.16Å
412A73.1Confident93.9Very high22 Ų2242 Ų4218%0.18224%0.236CC..THydrogen-bonded Turntrans-51.6-28.1-171.100000115.9Y39 V157Y39-A412 WeakPolarHBondContact CD2-O 3.37Å; V157-A412 HydrophobicContact CG1-CB 4.48Å; V157-A412 HydrophobicContact CG2-CB 3.52Å
413Y76.1Confident93.7Very high101 Ų10148.2 Ų48.240%0.39627%0.27SS..THydrogen-bonded Turntrans-130.119.1-177.6-57.5-54.3000114.1T38 K42 V157 V411T38-Y413 HydrophobicContact CG2-CD1 4.48Å; T38-Y413 HydrophobicContact CG2-CE1 3.77Å; K42-Y413 HydrophobicContact CD-CD1 3.9Å; V157-Y413 HydrophobicContact CG1-CE1 4.01Å; V157-Y413 HydrophobicContact CG1-CE2 3.58Å; V157-Y413 WeakPolarHBondContact CG1-OH 3.48Å; V411-Y413 PolarHBondContact O-N 3.23Å
414G86.5Confident93.7Very high27 Ų2748.6 Ų48.628%0.27827%0.272SS..EExtended strand (participates in β ladder)trans168-148.4-178.200000112.6V411V411-G414 WeakPolarHBondContact CG2-O 3.45Å; V411-G414 PolarHBondContact N-O 3.11Å; V411-G414 PolarHBondContact O-N 3.16Å
415C92.9Very high93.6Very high23 Ų2354 Ų5416%0.15530%0.301CS..EExtended strand (participates in β ladder)trans-143.9128.9178.8-1690000109.4F387 L388F387-C415 HydrophobicContact CB-CB 4.4Å; F387-C415 VanDerWaalsContact O-CB 3.26Å; F387-C415 WeakPolarHBondContact O-CB 3.36Å; L388-C415 HydrophobicContact CD2-CB 4.25Å
416K94.8Very high93.6Very high136 Ų13655.8 Ų55.859%0.59132%0.315SS*.EExtended strand (participates in β ladder)trans-76.1143.2167.7-63.4-178.2178.4177.40108.5L408 T409 V411L408-K416 WeakPolarHBondContact CA-O 3.11Å; T409-K416 PolarHBondContact N-O 3.43Å; T409-K416 PolarHBondContact O-N 3.47Å; V411-K416 HydrophobicContact CG1-CD 4.29Å; V411-K416 HydrophobicContact CG1-CG 4.16Å
417V97.4Very high93.5Very high71 Ų7156.2 Ų56.243%0.4332%0.318SS..EExtended strand (participates in β ladder)trans-126.6127.3175.360.10000109.8L388 L406 K407 L408L388-V417 HydrophobicContact CD2-CB 4.22Å; L388-V417 HydrophobicContact CD2-CG1 4.29Å; L406-V417 HydrophobicContact CB-CG2 4.34Å; L406-V417 HydrophobicContact CD2-CG2 4.35Å; K407-V417 WeakPolarHBondContact O-CA 3.34Å; L408-V417 HydrophobicContact CD2-CB 3.89Å; L408-V417 HydrophobicContact CD2-CG2 3.75Å
418E98.1Very high93.5Very high92 Ų9259.1 Ų59.143%0.4334%0.336SS..EExtended strand (participates in β ladder)trans-115.5127.1172.8-65.4169.6-131.600108.4L406 K407L406-E418 WeakPolarHBondContact CA-O 3.36Å; K407-E418 HydrophobicContact CB-CB 4.29Å; K407-E418 PolarHBondContact N-O 3.07Å; K407-E418 PolarHBondContact O-N 3.39Å
419S98Very high93.5Very high85 Ų8560.3 Ų60.359%0.59434%0.343SS*.EExtended strand (participates in β ladder)trans-101.4116.1179.9176.70000110.2T404T404-S419 VanDerWaalsContact CG2-OG 3.27Å; T404-S419 WeakPolarHBondContact CG2-OG 3.28Å
420I98.4Very high93.6Very high42 Ų4259.4 Ų59.422%0.21534%0.336CS..EExtended strand (participates in β ladder)trans-119.6101-171.3-53.3166.4000108.5F273 T404 V405 K407 L422F273-I420 HydrophobicContact CD2-CG2 4.29Å; F273-I420 HydrophobicContact CE2-CD1 3.82Å; F273-I420 HydrophobicContact CE2-CG2 3.86Å; F273-I420 HydrophobicContact CZ-CD1 3.58Å; F273-I420 HydrophobicContact CZ-CG2 4.42Å; T404-I420 WeakPolarHBondContact CA-O 3.34Å; V405-I420 HydrophobicContact CB-CB 4.48Å; V405-I420 PolarHBondContact N-O 3.49Å; V405-I420 PolarHBondContact O-N 2.76Å; K407-I420 HydrophobicContact CB-CD1 4.27Å; I420-L422 HydrophobicContact CG2-CD2 4.07Å
421S97.5Very high94Very high66 Ų6658.2 Ų58.246%0.46233%0.328SS..EExtended strand (participates in β ladder)trans-74.4132.6172.8178.40000110N423S421-N423 VanDerWaalsContact C-N 3.28Å; S421-N423 PolarHBondContact O-N 3.1Å
422L97.3Very high94.6Very high17 Ų1759.3 Ų59.39%0.08933%0.329CS..  trans-91.416.5-179.5-57.3-165.6000113.8F266 K269 L270 F273 H403 V405 I420 V424F266-L422 HydrophobicContact CD2-CB 4.22Å; F266-L422 HydrophobicContact CD2-CD1 3.99Å; F266-L422 HydrophobicContact CD2-CG 4.44Å; F266-L422 HydrophobicContact CE2-CB 4.33Å; F266-L422 HydrophobicContact CE2-CD1 3.54Å; F266-L422 HydrophobicContact CE2-CG 4.06Å; F266-L422 HydrophobicContact CZ-CD1 4.47Å; K269-L422 HydrophobicContact CB-CB 4.09Å; K269-L422 HydrophobicContact CB-CD1 4.33Å; L270-L422 VanDerWaalsContact CA-CD1 3.46Å; L270-L422 HydrophobicContact CB-CD1 3.9Å; L270-L422 HydrophobicContact CD1-CD1 3.95Å; F273-L422 HydrophobicContact CB-CD1 4.29Å; F273-L422 HydrophobicContact CB-CD2 3.96Å; F273-L422 HydrophobicContact CD2-CD2 4.13Å; F273-L422 HydrophobicContact CG-CD2 3.95Å; H403-L422 PolarHBondContact O-N 3.35Å; V405-L422 HydrophobicContact CG2-CD1 4.05Å; V405-L422 HydrophobicContact CG2-CD2 4.4Å; V405-L422 HydrophobicContact CG2-CG 4.26Å; I420-L422 HydrophobicContact CG2-CD2 4.07Å; L422-V424 VanDerWaalsContact C-N 3.33Å; L422-V424 PolarHBondContact O-N 3.33Å
423N95.1Very high95.7Very high142 Ų14262.4 Ų62.476%0.75934%0.339SS*.SBendtrans5642.3174.4-57.8-38.2000113.8S421S421-N423 VanDerWaalsContact C-N 3.28Å; S421-N423 PolarHBondContact O-N 3.1Å
424V97.9Very high96.7Very high11 Ų1157.8 Ų57.87%0.06732%0.321CS..  trans-124122.1169.8-176.60000107.6R262 E265 F266 K269 H403 L422R262-V424 HydrophobicContact CB-CG1 4.2Å; R262-V424 WeakPolarHBondContact O-CG1 3.18Å; E265-V424 HydrophobicContact CB-CG1 4.15Å; E265-V424 HydrophobicContact CG-CG1 4.24Å; E265-V424 HydrophobicContact CG-CG2 3.96Å; F266-V424 HydrophobicContact CB-CB 4.42Å; F266-V424 HydrophobicContact CB-CG1 4.44Å; F266-V424 HydrophobicContact CB-CG2 4.49Å; K269-V424 HydrophobicContact CB-CG2 4.37Å; K269-V424 HydrophobicContact CG-CG2 3.72Å; H403-V424 WeakPolarHBondContact CB-O 3.48Å; H403-V424 PolarHBondContact ND1-O 3.35Å; L422-V424 VanDerWaalsContact C-N 3.33Å; L422-V424 PolarHBondContact O-N 3.33Å
425D97.3Very high97.2Very high126 Ų12666.2 Ų66.267%0.67435%0.353SS*.  trans-59.9148.1-179.8-67-27.3000111.7R262 H403R262-D425 WeakPolarHBondContact CD-O 3.42Å; H403-D425 PolarHBondContact CE1-O 3.4Å; H403-D425 VanDerWaalsContact CE1-O 3.26Å; H403-D425 PolarHBondContact ND1-O 2.88Å
426A97.9Very high97.4Very high37 Ų3767.2 Ų67.231%0.30636%0.357SS..  trans-148155.9175.400000110.6E244 L402E244-A426 WeakPolarHBondContact OE1-CA 3.36Å; L402-A426 HydrophobicContact CB-CB 3.5Å; L402-A426 VanDerWaalsContact CB-CB 3.5Å; L402-A426 HydrophobicContact CD1-CB 4Å; L402-A426 HydrophobicContact CG-CB 4.4Å
427V97.9Very high97.5Very high22 Ų2262 Ų6213%0.13334%0.336CS..  trans-62.8150.3166.9-65.80000111.5E244 N248 V249 L402 T429E244-V427 HydrophobicContact CG-CG2 4.39Å; E244-V427 WeakPolarHBondContact OE1-CG2 3.27Å; E244-V427 PolarHBondContact OE1-N 2.91Å; N248-V427 HydrophobicContact CB-CG2 3.8Å; V249-V427 HydrophobicContact CG2-CG1 4.45Å; L402-V427 HydrophobicContact CD1-CG2 4.17Å; V427-T429 HydrophobicContact CG2-CG2 4.16Å
428N97.8Very high97.5Very high98 Ų9863.2 Ų63.252%0.52434%0.34SS..  trans-81.4131.6168.5-176.619000109.6H430 P451N428-H430 VanDerWaalsContact OD1-CB 3.27Å; N428-H430 WeakPolarHBondContact OD1-CB 3.23Å; N428-H430 PolarHBondContact OD1-N 3.46Å; N428-P451 HydrophobicContact CB-CB 4.19Å; N428-P451 VanDerWaalsContact O-CB 3.23Å; N428-P451 WeakPolarHBondContact O-CB 3.46Å
429T97.9Very high97.4Very high25 Ų2562.2 Ų62.215%0.15334%0.341CS..  trans-119.47177.346.10000112.1R241 N248 Q377 L402 V427R241-T429 PolarHBondContact NH1-OG1 3.28Å; R241-T429 PolarHBondContact NH2-OG1 2.86Å; N248-T429 HydrophobicContact CB-CG2 4.18Å; Q377-T429 PolarHBondContact NE2-O 2.91Å; Q377-T429 PolarHBondContact OE1-O 2.74Å; Q377-T429 PolarHBondContact OE1-OG1 3.37Å; L402-T429 HydrophobicContact CD1-CG2 4.49Å; V427-T429 HydrophobicContact CG2-CG2 4.16Å
430H98.1Very high97.3Very high18 Ų1864.1 Ų64.18%0.08335%0.349CS..  trans-88.4109.3179-173.289.5000110.7R381 Y397 N428 E432 P451R381-H430 PolarHBondContact NH2-CE1 3.44Å; R381-H430 PolarHBondContact NH2-ND1 3.03Å; Y397-H430 PolarHBondContact O-CE1 2.96Å; Y397-H430 VanDerWaalsContact O-CE1 3.27Å; N428-H430 VanDerWaalsContact OD1-CB 3.27Å; N428-H430 WeakPolarHBondContact OD1-CB 3.23Å; N428-H430 PolarHBondContact OD1-N 3.46Å; H430-E432 IonicContact CD2-OE1 2.86Å; H430-E432 VanDerWaalsContact NE2-CD 3.34Å; H430-E432 IonicContact NE2-OE1 3.97Å; H430-E432 PolarHBondContact NE2-OE1 3.27Å; H430-E432 IonicContact NE2-OE2 3.27Å; H430-E432 PolarHBondContact NE2-OE2 3.15Å; H430-P451 WeakPolarHBondContact O-CG 3.48Å
431R97.9Very high97.2Very high3 Ų363 Ų631%0.01134%0.342CS..PPolyproline II helixtrans-97.1117.1169.8178.2170.4176.7-81.47.1110.4Y322 F333 D337 A446 T449Y322-R431 HydrophobicContact CE2-CB 4.32Å; F333-R431 VanDerWaalsContact CZ-CZ 3.46Å; F333-R431 VanDerWaalsContact CZ-NH2 3.3Å; D337-R431 IonicContact OD1-CZ 3.34Å; D337-R431 IonicContact OD1-NH1 3.44Å; D337-R431 PolarHBondContact OD1-NH1 2.81Å; D337-R431 IonicContact OD1-NH2 3.45Å; D337-R431 IonicContact OD2-CZ 3.4Å; D337-R431 IonicContact OD2-NH1 3.07Å; D337-R431 PolarHBondContact OD2-NH1 2.88Å; D337-R431 IonicContact OD2-NH2 2.71Å; D337-R431 PolarHBondContact OD2-NH2 3.47Å; R431-A446 PolarHBondContact NH2-O 3.21Å; R431-T449 WeakPolarHBondContact CG-O 3.38Å; R431-T449 WeakPolarHBondContact CG-OG1 3.33Å; R431-T449 PolarHBondContact NE-OG1 3.18Å
432E97.6Very high97.2Very high81 Ų8165.9 Ų65.938%0.37935%0.35SS..PPolyproline II helixtrans-67.5157.9172.4-62.5-70.8179.300110.5K399 H430 T449K399-E432 WeakPolarHBondContact CE-OE1 3.32Å; K399-E432 IonicContact NZ-OE1 3.38Å; K399-E432 PolarHBondContact NZ-OE1 2.87Å; H430-E432 IonicContact CD2-OE1 2.86Å; H430-E432 VanDerWaalsContact NE2-CD 3.34Å; H430-E432 IonicContact NE2-OE1 3.97Å; H430-E432 PolarHBondContact NE2-OE1 3.27Å; H430-E432 IonicContact NE2-OE2 3.27Å; H430-E432 PolarHBondContact NE2-OE2 3.15Å; E432-T449 HydrophobicContact CB-CG2 4.23Å; E432-T449 WeakPolarHBondContact O-CB 3.49Å; E432-T449 PolarHBondContact O-OG1 3.01Å
433K97.3Very high97.1Very high88 Ų8868 Ų6838%0.38337%0.366SS..PPolyproline II helixtrans-66123.3173.1-169.6175.1177.7165.20108.5D337 Y397 V437D337-K433 WeakPolarHBondContact O-CE 3.5Å; Y397-K433 HydrophobicContact CD1-CB 4.37Å; Y397-K433 HydrophobicContact CE1-CB 3.62Å; Y397-K433 HydrophobicContact CE1-CG 4.33Å; K433-V437 HydrophobicContact CG-CG1 4.32Å
434P97.3Very high97.2Very high4 Ų469.3 Ų69.33%0.02637%0.367CS..PPolyproline II helixtrans-67.2153.8173.930.4-35.2000110.2D337 V437 I448 T449D337-P434 HydrophobicContact CB-CG 4.41Å; D337-P434 WeakPolarHBondContact OD2-CG 3.32Å; P434-V437 HydrophobicContact CG-CG1 4.16Å; P434-V437 WeakPolarHBondContact O-CG1 3.43Å; P434-I448 HydrophobicContact CB-CG2 4.36Å; P434-T449 HydrophobicContact CB-CG2 4.19Å
435E96.5Very high97.2Very high204 Ų20472.6 Ų72.695%0.95338%0.382SS*.SBendtrans-63.9-44.8177.3-66.5-175.7170.900111.3
436N96.6Very high97.1Very high44 Ų4466.6 Ų66.624%0.23535%0.35CS..  trans-90.6115.9175.4-166.6-6000111.4D438 R441 E445N436-D438 WeakPolarHBondContact OD1-CB 3.41Å; N436-D438 PolarHBondContact OD1-N 3.09Å; N436-R441 WeakPolarHBondContact ND2-CB 3.47Å; N436-R441 VanDerWaalsContact O-CD 3.22Å; N436-R441 WeakPolarHBondContact O-CD 3.45Å; N436-R441 PolarHBondContact O-NH1 3.28Å; N436-E445 HydrophobicContact CB-CB 4.34Å; N436-E445 PolarHBondContact ND2-OE2 3.26Å
437V97.4Very high97.1Very high26 Ų2666.7 Ų66.716%0.15835%0.345CS..  trans-116.710.3177-59.10000112.9D337 Q338 K433 P434D337-V437 HydrophobicContact CB-CB 4.09Å; D337-V437 HydrophobicContact CB-CG1 3.65Å; Q338-V437 HydrophobicContact CG-CB 3.89Å; Q338-V437 HydrophobicContact CG-CG2 3.71Å; Q338-V437 WeakPolarHBondContact CG-O 3.45Å; Q338-V437 PolarHBondContact NE2-O 3.38Å; K433-V437 HydrophobicContact CG-CG1 4.32Å; P434-V437 HydrophobicContact CG-CG1 4.16Å; P434-V437 WeakPolarHBondContact O-CG1 3.43Å
438D97.1Very high97.1Very high96 Ų9671.9 Ų71.951%0.51337%0.371SS..  trans-66.2145.8-179.3-72.3-29.5000111.8N436 T440 R441N436-D438 WeakPolarHBondContact OD1-CB 3.41Å; N436-D438 PolarHBondContact OD1-N 3.09Å; D438-T440 PolarHBondContact O-N 3.42Å; D438-T440 VanDerWaalsContact O-N 3.13Å; D438-R441 VanDerWaalsContact O-CB 3.29Å; D438-R441 WeakPolarHBondContact O-CB 3.4Å; D438-R441 WeakPolarHBondContact O-CD 3.45Å; D438-R441 WeakPolarHBondContact O-CG 3.24Å; D438-R441 PolarHBondContact O-N 3.36Å; D438-R441 VanDerWaalsContact O-N 3.09Å
439V96.4Very high97Very high72 Ų7268.9 Ų68.944%0.43636%0.356SS..THydrogen-bonded Turntrans-65.7-16-179.9-61.90000113.5L331 A334 L335L331-V439 HydrophobicContact CD1-CB 3.94Å; L331-V439 HydrophobicContact CD1-CG1 3.7Å; A334-V439 HydrophobicContact CB-CB 4.46Å; A334-V439 HydrophobicContact CB-CG1 4.18Å; L335-V439 HydrophobicContact CD2-CG1 4.11Å; L335-V439 HydrophobicContact CG-CG1 4.41Å
440T95.6Very high97Very high125 Ų12568.8 Ų68.877%0.76736%0.355SS*.THydrogen-bonded Turntrans-103.59.3177.755.60000113.4D438D438-T440 PolarHBondContact O-N 3.42Å; D438-T440 VanDerWaalsContact O-N 3.13Å
441R96.7Very high96.8Very high17 Ų1768.8 Ų68.86%0.06436%0.357CS..  trans-62.1153.4-178.670.6-170.4174.31710.2112.5F333 D337 N436 D438 A446F333-R441 PolarHBondContact O-NH2 3.47Å; D337-R441 IonicContact OD2-CZ 3.62Å; D337-R441 VanDerWaalsContact OD2-CZ 3.24Å; D337-R441 IonicContact OD2-NH1 3.62Å; D337-R441 PolarHBondContact OD2-NH1 3.27Å; D337-R441 IonicContact OD2-NH2 3.69Å; D337-R441 PolarHBondContact OD2-NH2 2.98Å; N436-R441 WeakPolarHBondContact ND2-CB 3.47Å; N436-R441 VanDerWaalsContact O-CD 3.22Å; N436-R441 WeakPolarHBondContact O-CD 3.45Å; N436-R441 PolarHBondContact O-NH1 3.28Å; D438-R441 VanDerWaalsContact O-CB 3.29Å; D438-R441 WeakPolarHBondContact O-CB 3.4Å; D438-R441 WeakPolarHBondContact O-CD 3.45Å; D438-R441 WeakPolarHBondContact O-CG 3.24Å; D438-R441 PolarHBondContact O-N 3.36Å; D438-R441 VanDerWaalsContact O-N 3.09Å; R441-A446 HydrophobicContact CG-CB 4.18Å
442M97.1Very high96.5Very high128 Ų12872 Ų7263%0.63139%0.391SS*.  trans-72.8149.3174.6-62.6-61.4-70.300110.5E444 E445 A446M442-E444 PolarHBondContact O-N 3.3Å; M442-E445 HydrophobicContact CB-CG 4.26Å; M442-E445 PolarHBondContact N-OE2 2.87Å; M442-E445 WeakPolarHBondContact O-CB 3.47Å; M442-E445 PolarHBondContact O-N 2.86Å; M442-E445 VanDerWaalsContact O-N 3.1Å; M442-A446 PolarHBondContact O-N 2.69Å; M442-A446 VanDerWaalsContact O-N 3.09Å
443S96.5Very high96.3Very high61 Ų6171 Ų7143%0.42739%0.386SS..Hα-helixtrans-59.2-34.8-179.5-61.60000113.1Q326 E445 A446 L447Q326-S443 PolarHBondContact NE2-OG 2.71Å; Q326-S443 VanDerWaalsContact NE2-OG 3.13Å; S443-E445 VanDerWaalsContact C-N 3.34Å; S443-E445 PolarHBondContact O-N 3.07Å; S443-A446 PolarHBondContact O-N 2.82Å; S443-L447 WeakPolarHBondContact O-CB 3.29Å; S443-L447 VanDerWaalsContact O-CG 3.25Å; S443-L447 WeakPolarHBondContact O-CG 3.34Å; S443-L447 PolarHBondContact O-N 3.32Å
444E96.8Very high95.4Very high170 Ų17076.1 Ų76.179%0.79441%0.411SS*.Hα-helixtrans-60.8-42.3176.2-65.1175.4-171.900111.9M442 L447 I448M442-E444 PolarHBondContact O-N 3.3Å; E444-L447 PolarHBondContact O-N 2.86Å; E444-I448 PolarHBondContact O-N 3.06Å; E444-I448 VanDerWaalsContact O-N 3.09Å
445E96.4Very high95.3Very high80 Ų8079.7 Ų79.737%0.37443%0.431SS..Hα-helixtrans-69.3-37.2177.4-59.7172166.800111.5N436 M442 S443 L447 I448N436-E445 HydrophobicContact CB-CB 4.34Å; N436-E445 PolarHBondContact ND2-OE2 3.26Å; M442-E445 HydrophobicContact CB-CG 4.26Å; M442-E445 PolarHBondContact N-OE2 2.87Å; M442-E445 WeakPolarHBondContact O-CB 3.47Å; M442-E445 PolarHBondContact O-N 2.86Å; M442-E445 VanDerWaalsContact O-N 3.1Å; S443-E445 VanDerWaalsContact C-N 3.34Å; S443-E445 PolarHBondContact O-N 3.07Å; E445-L447 VanDerWaalsContact C-N 3.33Å; E445-L447 PolarHBondContact O-N 3.07Å; E445-I448 VanDerWaalsContact O-CG2 3.29Å; E445-I448 WeakPolarHBondContact O-CG2 3.37Å
446A96.3Very high95.3Very high0 Ų073.2 Ų73.20%040%0.403CS..Hα-helixtrans-66.3-34.9176.700000112.4Q326 F333 R431 R441 M442 S443Q326-A446 HydrophobicContact CG-CB 4.22Å; F333-A446 HydrophobicContact CD1-CB 4.19Å; F333-A446 HydrophobicContact CE1-CB 4.08Å; R431-A446 PolarHBondContact NH2-O 3.21Å; R441-A446 HydrophobicContact CG-CB 4.18Å; M442-A446 PolarHBondContact O-N 2.69Å; M442-A446 VanDerWaalsContact O-N 3.09Å; S443-A446 PolarHBondContact O-N 2.82Å
447L97.4Very high95.2Very high39 Ų3974.8 Ų74.820%0.20441%0.412CS..Hα-helixtrans-97.1-5.4-172.9-62.7169.9000113.5E323 Q326 F333 S443 E444 E445 T449 V450E323-L447 HydrophobicContact CG-CD1 4.23Å; E323-L447 HydrophobicContact CG-CD2 4.4Å; Q326-L447 HydrophobicContact CB-CD1 4.4Å; Q326-L447 HydrophobicContact CB-CD2 3.92Å; Q326-L447 HydrophobicContact CB-CG 4.28Å; Q326-L447 HydrophobicContact CG-CD1 4.24Å; Q326-L447 HydrophobicContact CG-CD2 4.4Å; Q326-L447 HydrophobicContact CG-CG 4.21Å; F333-L447 HydrophobicContact CE1-CD2 4.2Å; S443-L447 WeakPolarHBondContact O-CB 3.29Å; S443-L447 VanDerWaalsContact O-CG 3.25Å; S443-L447 WeakPolarHBondContact O-CG 3.34Å; S443-L447 PolarHBondContact O-N 3.32Å; E444-L447 PolarHBondContact O-N 2.86Å; E445-L447 VanDerWaalsContact C-N 3.33Å; E445-L447 PolarHBondContact O-N 3.07Å; L447-T449 PolarHBondContact O-N 3.45Å; L447-V450 HydrophobicContact CB-CG2 4.2Å; L447-V450 HydrophobicContact CD2-CG2 3.78Å; L447-V450 VanDerWaalsContact O-CB 3.29Å; L447-V450 WeakPolarHBondContact O-CB 3.49Å; L447-V450 WeakPolarHBondContact O-CG2 3.49Å; L447-V450 PolarHBondContact O-N 3.15Å
448I97.4Very high95Very high130 Ų13077.6 Ų77.667%0.66743%0.427SS*.THydrogen-bonded Turntrans-56.2-28.8-174.7-160169.1000114.6P434 E444 E445P434-I448 HydrophobicContact CB-CG2 4.36Å; E444-I448 PolarHBondContact O-N 3.06Å; E444-I448 VanDerWaalsContact O-N 3.09Å; E445-I448 VanDerWaalsContact O-CG2 3.29Å; E445-I448 WeakPolarHBondContact O-CG2 3.37Å
449T97Very high94.9Very high35 Ų3576.5 Ų76.522%0.21542%0.422CS..THydrogen-bonded Turntrans-97.12.5179.361.60000113.9R431 E432 P434 L447 P451R431-T449 WeakPolarHBondContact CG-O 3.38Å; R431-T449 WeakPolarHBondContact CG-OG1 3.33Å; R431-T449 PolarHBondContact NE-OG1 3.18Å; E432-T449 HydrophobicContact CB-CG2 4.23Å; E432-T449 WeakPolarHBondContact O-CB 3.49Å; E432-T449 PolarHBondContact O-OG1 3.01Å; P434-T449 HydrophobicContact CB-CG2 4.19Å; L447-T449 PolarHBondContact O-N 3.45Å; T449-P451 WeakPolarHBondContact O-CD 3.45Å
450V96.6Very high94.8Very high24 Ų2476.8 Ų76.815%0.14542%0.421CS..PPolyproline II helixtrans-68.7126.8177.91780000109.5Y322 E323 L447Y322-V450 HydrophobicContact CD2-CG1 4.12Å; Y322-V450 HydrophobicContact CD2-CG2 4.3Å; Y322-V450 HydrophobicContact CG-CG2 4.27Å; E323-V450 WeakPolarHBondContact OE1-CG1 3.46Å; L447-V450 HydrophobicContact CB-CG2 4.2Å; L447-V450 HydrophobicContact CD2-CG2 3.78Å; L447-V450 VanDerWaalsContact O-CB 3.29Å; L447-V450 WeakPolarHBondContact O-CB 3.49Å; L447-V450 WeakPolarHBondContact O-CG2 3.49Å; L447-V450 PolarHBondContact O-N 3.15Å
451P95.3Very high94.8Very high18 Ų1873.4 Ų73.412%0.11740%0.396CS..PPolyproline II helixtrans-64.9146.7176.1-23.135000112.5N428 H430 T449 H453N428-P451 HydrophobicContact CB-CB 4.19Å; N428-P451 VanDerWaalsContact O-CB 3.23Å; N428-P451 WeakPolarHBondContact O-CB 3.46Å; H430-P451 WeakPolarHBondContact O-CG 3.48Å; T449-P451 WeakPolarHBondContact O-CD 3.45Å; P451-H453 PolarHBondContact O-ND1 2.97Å; P451-H453 VanDerWaalsContact O-ND1 3.13Å
452G91.8Very high94.6Very high70 Ų7077.7 Ų77.772%0.72242%0.422SS*.PPolyproline II helixtrans-59.6137.9170.400000112
453H93.3Very high94.4Very high61 Ų6173.5 Ų73.528%0.28240%0.404SS..  trans-143.2170.3178.855.8-88.1000110K250 E323 P451K250-H453 PolarHBondContact O-CD2 3.46Å; E323-H453 IonicContact OE1-CE1 3.75Å; E323-H453 PolarHBondContact OE1-CE1 3.36Å; E323-H453 VanDerWaalsContact OE1-CE1 3.32Å; E323-H453 IonicContact OE2-CE1 3.32Å; E323-H453 PolarHBondContact OE2-CE1 3.02Å; E323-H453 IonicContact OE2-NE2 2.74Å; P451-H453 PolarHBondContact O-ND1 2.97Å; P451-H453 VanDerWaalsContact O-ND1 3.13Å
454Q78.2Confident94.2Very high194 Ų19474.6 Ų74.691%0.90740%0.402SS*.  trans-92.70-175-67.3-177.48.700113.6V249V249-Q454 HydrophobicContact CG1-CB 3.9Å; V249-Q454 HydrophobicContact CG1-CG 4.01Å; V249-Q454 PolarHBondContact O-N 3.19Å

Retrieved 454 of 454 residues in 201.3 ms (Link to these results)

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