A0A060YXR7_ONCMY Loading...

Alpha/beta-tubulin-N-acetyltransferase 9

N-acetyltransferase that mediates the acetylation of the N-terminal residues of alpha- and beta-tubulin.

AlphaFold DB , UniProt , Accession A0A060YXR7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 229 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
1M36.3Very low34.3Very low238 Ų238176.2 Ų176.2100%1.17285%0.853SS**  0114.30-74.9-170.2167.600108.1
2P32.4Very low34.8Very low130 Ų130171.4 Ų171.484%0.84484%0.842SS**  trans-84.7130.3-179.732.1-28.2000110.5R4P2-R4 PolarHBondContact O-N 3.03Å
3M30.3Very low35.2Very low186 Ų186166.4 Ų166.492%0.91683%0.827SS**  trans-66.4115.8175-132.9174.3-162.800108.7L5M3-L5 PolarHBondContact O-N 3.25Å
4R33.8Very low36Very low242 Ų242164.3 Ų164.391%0.91382%0.82SS**  trans-69.3107.7169-87.3-179172.4-178.1-2.8108.3P2 R6P2-R4 PolarHBondContact O-N 3.03Å; R4-R6 PolarHBondContact O-N 2.84Å
5L32Very low36.9Very low163 Ų163160.1 Ų160.185%0.85380%0.799SS**  trans-61.7113.6159.2-102.886.4000107.5M3 L7M3-L5 PolarHBondContact O-N 3.25Å; L5-L7 PolarHBondContact O-N 3.47Å
6R35.5Very low38.5Very low230 Ų230151.2 Ų151.287%0.86876%0.755SS**  trans-69.7109.8162.1-76.5-175.4-176.9-161.80.7106.6R4 V8R4-R6 PolarHBondContact O-N 2.84Å; R6-V8 VanDerWaalsContact C-N 3.33Å; R6-V8 PolarHBondContact O-N 2.89Å
7L33.6Very low40.5Very low170 Ų170148.9 Ų148.989%0.8974%0.736SS**  trans-60.1102.4158.9-86.1153.1000106.6L5 S9L5-L7 PolarHBondContact O-N 3.47Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 3.25Å
8V34.5Very low43Very low105 Ų105144.9 Ų144.964%0.63672%0.716SS**  trans-69.1101162.2178.80000104.7R6 Y10R6-V8 VanDerWaalsContact C-N 3.33Å; R6-V8 PolarHBondContact O-N 2.89Å; V8-Y10 VanDerWaalsContact C-N 3.32Å; V8-Y10 HydrophobicContact CG1-CE2 4.42Å; V8-Y10 WeakPolarHBondContact O-CD2 3.17Å; V8-Y10 PolarHBondContact O-N 2.74Å
9S37.4Very low45.6Very low99 Ų99138.1 Ų138.169%0.69268%0.683SS**  trans-59.599.7165.4159.80000106.8L7 Q11L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 3.25Å; S9-Q11 VanDerWaalsContact C-N 3.26Å; S9-Q11 PolarHBondContact O-N 2.89Å
10Y33.2Very low48Very low204 Ų204134.4 Ų134.480%0.866%0.664SS**  trans-64.796.8160.7-73.6-94000106V8 V12V8-Y10 VanDerWaalsContact C-N 3.32Å; V8-Y10 HydrophobicContact CG1-CE2 4.42Å; V8-Y10 WeakPolarHBondContact O-CD2 3.17Å; V8-Y10 PolarHBondContact O-N 2.74Å; Y10-V12 VanDerWaalsContact C-N 3.26Å; Y10-V12 PolarHBondContact O-N 3.45Å
11Q37.7Very low50.2Low171 Ų171129.9 Ų129.980%0.79964%0.643SS**  trans-62.5104.2155.4-87.1-178-22.600104.5S9 T13S9-Q11 VanDerWaalsContact C-N 3.26Å; S9-Q11 PolarHBondContact O-N 2.89Å; Q11-T13 VanDerWaalsContact C-N 3.31Å; Q11-T13 PolarHBondContact O-N 2.77Å
12V40.5Very low53.1Low119 Ų119119.1 Ų119.172%0.72159%0.59SS**  trans-58.1106.7160.5176.30000104.1Y10 L14Y10-V12 VanDerWaalsContact C-N 3.26Å; Y10-V12 PolarHBondContact O-N 3.45Å; V12-L14 VanDerWaalsContact C-N 3.27Å; V12-L14 PolarHBondContact O-N 3.33Å
13T40.9Very low56.2Low106 Ų106112.9 Ų112.965%0.6555%0.55SS*.  trans-57.5102.6164.5-350000104.6Q11 I15Q11-T13 VanDerWaalsContact C-N 3.31Å; Q11-T13 PolarHBondContact O-N 2.77Å; T13-I15 VanDerWaalsContact C-N 3.3Å; T13-I15 PolarHBondContact O-N 2.86Å
14L45.5Very low59.4Low137 Ų137104 Ų10472%0.71751%0.506SS*.  trans-65.998.6176.3-97.7143000105.4V12 M16V12-L14 VanDerWaalsContact C-N 3.27Å; V12-L14 PolarHBondContact O-N 3.33Å; L14-M16 PolarHBondContact O-N 3.23Å; L14-M16 VanDerWaalsContact O-N 3.12Å
15I50Low62.5Low101 Ų10194.1 Ų94.152%0.51847%0.47SS..  trans-60.1116.8169.8-64.8171.7000106.2T13 R17 D76T13-I15 VanDerWaalsContact C-N 3.3Å; T13-I15 PolarHBondContact O-N 2.86Å; I15-R17 HydrophobicContact CG2-CB 4.02Å; I15-R17 HydrophobicContact CG2-CG 3.66Å; I15-R17 PolarHBondContact O-N 3.32Å; I15-D76 WeakPolarHBondContact CA-OD1 3.04Å; I15-D76 WeakPolarHBondContact CG2-OD1 3.34Å
16M61.7Low65.6Low18 Ų1886.5 Ų86.59%0.08943%0.431CS..SBendtrans-75.637.5-178.8-85.2-137.6-58.800113.3L14 I18 D76 K78 C79 L108 L149L14-M16 PolarHBondContact O-N 3.23Å; L14-M16 VanDerWaalsContact O-N 3.12Å; M16-I18 PolarHBondContact O-N 3.05Å; M16-D76 WeakPolarHBondContact CB-O 3.35Å; M16-D76 WeakPolarHBondContact CE-O 3.39Å; M16-D76 WeakPolarHBondContact CG-O 3.39Å; M16-D76 PolarHBondContact N-OD1 2.84Å; M16-K78 VanDerWaalsContact CE-N 3.29Å; M16-C79 HydrophobicContact CE-CB 4.4Å; M16-L108 HydrophobicContact CE-CD1 3.79Å; M16-L108 HydrophobicContact CE-CG 3.84Å; M16-L108 HydrophobicContact SD-CD1 4.17Å; M16-L149 HydrophobicContact SD-CD1 4.41Å; M16-L149 HydrophobicContact SD-CD2 3.92Å
17R73Confident68.5Low113 Ų11384 Ų8443%0.42643%0.426SS..G310 helixtrans-78.814.4164.3-71179.9-169.6-167.30113I15 N19 E20I15-R17 HydrophobicContact CG2-CB 4.02Å; I15-R17 HydrophobicContact CG2-CG 3.66Å; I15-R17 PolarHBondContact O-N 3.32Å; R17-N19 PolarHBondContact O-N 3.45Å; R17-N19 VanDerWaalsContact O-N 3.13Å; R17-E20 HydrophobicContact CB-CB 4.35Å; R17-E20 HydrophobicContact CB-CG 4.49Å; R17-E20 VanDerWaalsContact O-CB 3.27Å; R17-E20 WeakPolarHBondContact O-CB 3.43Å; R17-E20 WeakPolarHBondContact O-CG 3.06Å; R17-E20 PolarHBondContact O-N 3.3Å
18I85.8Confident71.5Confident76 Ų7678 Ų7839%0.3940%0.399SS..G310 helixtrans-59-29.6-176.1-170.4169.2000112.6M16 T22 K148 L149M16-I18 PolarHBondContact O-N 3.05Å; I18-T22 PolarHBondContact O-OG1 3.17Å; I18-K148 HydrophobicContact CD1-CB 4.38Å; I18-L149 HydrophobicContact CG2-CD2 3.53Å
19N92.6Very high74.6Confident16 Ų1673 Ų739%0.08637%0.369CS..G310 helixtrans-87.4-0.9176.870.9-37.5000114.2R17 D21 T22 P33 T80 F81R17-N19 PolarHBondContact O-N 3.45Å; R17-N19 VanDerWaalsContact O-N 3.13Å; N19-D21 PolarHBondContact O-N 3.43Å; N19-T22 PolarHBondContact O-N 3.14Å; N19-P33 WeakPolarHBondContact O-CG 3.36Å; N19-T80 PolarHBondContact ND2-O 2.83Å; N19-F81 HydrophobicContact CB-CE1 3.95Å; N19-F81 HydrophobicContact CB-CE2 3.93Å; N19-F81 HydrophobicContact CB-CZ 3.41Å; N19-F81 VanDerWaalsContact CB-CZ 3.41Å
20E92.9Very high77.5Confident64 Ų6468.3 Ų68.330%0.29934%0.336SS..THydrogen-bonded Turntrans-60.5-24.1-168.774.2173.3-159.200115R17 R213R17-E20 HydrophobicContact CB-CB 4.35Å; R17-E20 HydrophobicContact CB-CG 4.49Å; R17-E20 VanDerWaalsContact O-CB 3.27Å; R17-E20 WeakPolarHBondContact O-CB 3.43Å; R17-E20 WeakPolarHBondContact O-CG 3.06Å; R17-E20 PolarHBondContact O-N 3.3Å; E20-R213 IonicContact OE1-CZ 2.92Å; E20-R213 IonicContact OE1-NH2 3.25Å; E20-R213 PolarHBondContact OE1-NH2 2.95Å
21D95.1Very high80.6Confident40 Ų4058.6 Ų58.621%0.21430%0.298CS..THydrogen-bonded Turntrans-125.822.3178.2-158.23.2000111.4N19 E211 Y212 R213N19-D21 PolarHBondContact O-N 3.43Å; D21-E211 WeakPolarHBondContact O-CA 3.37Å; D21-Y212 PolarHBondContact O-N 3.14Å; D21-Y212 PolarHBondContact OD1-N 3.23Å; D21-Y212 VanDerWaalsContact OD1-N 3.16Å; D21-R213 WeakPolarHBondContact OD1-CB 3.35Å; D21-R213 WeakPolarHBondContact OD1-CG 3.3Å; D21-R213 PolarHBondContact OD1-N 3.46Å; D21-R213 WeakPolarHBondContact OD2-CD 3.34Å; D21-R213 IonicContact OD2-CZ 3.62Å; D21-R213 IonicContact OD2-NE 3.98Å; D21-R213 IonicContact OD2-NH1 3.76Å; D21-R213 PolarHBondContact OD2-NH1 3.48Å
22T96.4Very high83.5Confident11 Ų1150.5 Ų50.57%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-99.6127.2-178.1-63.60000110.6I18 N19 L24 P33 F81 Y144 E209I18-T22 PolarHBondContact O-OG1 3.17Å; N19-T22 PolarHBondContact O-N 3.14Å; T22-L24 HydrophobicContact CG2-CD2 3.76Å; T22-L24 HydrophobicContact CG2-CG 4.01Å; T22-P33 WeakPolarHBondContact O-CD 3.14Å; T22-F81 HydrophobicContact CG2-CE1 4.14Å; T22-F81 HydrophobicContact CG2-CZ 4.05Å; T22-Y144 HydrophobicContact CG2-CE2 3.99Å; T22-E209 HydrophobicContact CG2-CG 4.06Å
23L97.8Very high86.2Confident0 Ų045 Ų450%023%0.226CC..EExtended strand (participates in β ladder)trans-112.5125.2165-178.8155.9000108.8E25 V30 L31 V32 E209 R210 Y212 D215L23-E25 HydrophobicContact CD2-CB 3.96Å; L23-V30 HydrophobicContact CD1-CG1 3.78Å; L23-V30 HydrophobicContact CD2-CG1 3.71Å; L23-V30 HydrophobicContact CG-CG1 3.56Å; L23-L31 WeakPolarHBondContact CA-O 3.33Å; L23-V32 HydrophobicContact CD1-CG1 4.26Å; L23-V32 HydrophobicContact CG-CG1 4.38Å; L23-E209 CarbonylContact O-C 3.53Å; L23-E209 WeakPolarHBondContact O-CA 3.39Å; L23-R210 HydrophobicContact CB-CB 4.44Å; L23-R210 HydrophobicContact CD2-CB 4.31Å; L23-R210 PolarHBondContact N-O 2.9Å; L23-R210 PolarHBondContact O-N 3.47Å; L23-Y212 HydrophobicContact CD1-CD2 4.38Å; L23-D215 HydrophobicContact CD1-CB 4.02Å
24L97.9Very high88.8Confident0 Ų040.5 Ų40.50%020%0.198CC..EExtended strand (participates in β ladder)trans-106.2112.9171.9-51.8172.9000109.4T22 V30 L31 F81 M140 Y144 M207 Q208 E209T22-L24 HydrophobicContact CG2-CD2 3.76Å; T22-L24 HydrophobicContact CG2-CG 4.01Å; L24-V30 CarbonylContact O-C 3.47Å; L24-V30 WeakPolarHBondContact O-CA 3.45Å; L24-L31 HydrophobicContact CB-CB 4.05Å; L24-L31 HydrophobicContact CB-CD1 4.36Å; L24-L31 HydrophobicContact CB-CG 4.41Å; L24-L31 HydrophobicContact CD1-CD1 4.1Å; L24-L31 PolarHBondContact N-O 3.22Å; L24-L31 PolarHBondContact O-N 2.88Å; L24-F81 HydrophobicContact CD1-CE2 4.3Å; L24-F81 HydrophobicContact CD1-CZ 4.08Å; L24-F81 HydrophobicContact CG-CZ 4.43Å; L24-M140 HydrophobicContact CB-CE 3.78Å; L24-M140 WeakPolarHBondContact O-CE 3.33Å; L24-Y144 HydrophobicContact CD1-CD2 3.77Å; L24-Y144 HydrophobicContact CD1-CG 4.03Å; L24-Y144 HydrophobicContact CD2-CD2 4.09Å; L24-Y144 HydrophobicContact CG-CD2 4.47Å; L24-M207 HydrophobicContact CB-CG 4.31Å; L24-M207 HydrophobicContact CB-SD 4.15Å; L24-M207 HydrophobicContact CD1-SD 4.14Å; L24-M207 HydrophobicContact CD2-CE 4.36Å; L24-M207 HydrophobicContact CD2-SD 4.24Å; L24-M207 HydrophobicContact CG-SD 4.42Å; L24-Q208 CarbonylContact C-O 3.54Å; L24-Q208 WeakPolarHBondContact CA-O 3.33Å; L24-E209 HydrophobicContact CD2-CB 4.1Å; L24-E209 HydrophobicContact CD2-CG 3.96Å
25E97.6Very high91.2Very high33 Ų3334.3 Ų34.315%0.15417%0.165CC..EExtended strand (participates in β ladder)trans-95.5120.6176.8-177.6177105.100110.6L23 V30 K86 M207 Q208 R210L23-E25 HydrophobicContact CD2-CB 3.96Å; E25-V30 HydrophobicContact CG-CG2 4.34Å; E25-K86 HydrophobicContact CG-CD 4.2Å; E25-K86 VanDerWaalsContact CG-NZ 3.32Å; E25-K86 WeakPolarHBondContact OE1-CE 3.42Å; E25-K86 IonicContact OE1-NZ 2.75Å; E25-K86 PolarHBondContact OE1-NZ 3.02Å; E25-K86 VanDerWaalsContact OE2-CE 3.31Å; E25-K86 WeakPolarHBondContact OE2-CE 3.46Å; E25-K86 IonicContact OE2-NZ 3.6Å; E25-M207 WeakPolarHBondContact O-CA 3.47Å; E25-Q208 HydrophobicContact CB-CB 4.42Å; E25-Q208 PolarHBondContact N-O 3.06Å; E25-Q208 PolarHBondContact O-N 3.19Å; E25-R210 IonicContact OE2-CZ 3.61Å; E25-R210 IonicContact OE2-NH2 2.6Å; E25-R210 PolarHBondContact OE2-NH2 2.95Å
26G97.1Very high93.4Very high3 Ų331.3 Ų31.33%0.03116%0.156CC..  trans-97.1-160.8169.800000113V29 K86G26-V29 WeakPolarHBondContact CA-O 3.37Å; G26-V29 PolarHBondContact N-O 2.89Å; G26-K86 PolarHBondContact O-NZ 2.77Å
27K96.5Very high95Very high177 Ų17735.2 Ų35.277%0.7718%0.177SC*.SBendtrans-73.9-46.8174.8-177.9179.9178.2-179.10112K86 E136K27-K86 WeakPolarHBondContact O-CD 3.23Å; K27-E136 WeakPolarHBondContact CA-OE1 3.28Å; K27-E136 PolarHBondContact N-OE1 3.16Å
28S97.9Very high96.2Very high46 Ų4629.9 Ų29.932%0.32216%0.157SC..SBendtrans-120.2-15.2-172-28.20000112.7K86 E136S28-K86 VanDerWaalsContact O-CB 3.27Å; S28-K86 WeakPolarHBondContact O-CB 3.35Å; S28-K86 PolarHBondContact O-N 2.9Å; S28-K86 VanDerWaalsContact O-N 3.1Å; S28-E136 VanDerWaalsContact CB-OE2 3.29Å; S28-E136 WeakPolarHBondContact CB-OE2 3.41Å; S28-E136 PolarHBondContact N-OE1 3.01Å; S28-E136 PolarHBondContact N-OE2 2.87Å; S28-E136 PolarHBondContact OG-OE2 2.92Å
29V98.4Very high96.8Very high0 Ų026.3 Ų26.30%014%0.138CC..EExtended strand (participates in β ladder)trans-127.1156.3-176.4-59.50000111.9G26 I83 L84 L133 E136 V137 M140G26-V29 WeakPolarHBondContact CA-O 3.37Å; G26-V29 PolarHBondContact N-O 2.89Å; V29-I83 HydrophobicContact CB-CG2 3.93Å; V29-I83 HydrophobicContact CG1-CG2 3.82Å; V29-L84 VanDerWaalsContact CA-O 3.26Å; V29-L84 WeakPolarHBondContact CA-O 3.42Å; V29-L133 HydrophobicContact CG1-CB 4.28Å; V29-L133 HydrophobicContact CG1-CD1 3.95Å; V29-L133 HydrophobicContact CG1-CD2 3.88Å; V29-L133 HydrophobicContact CG1-CG 4.26Å; V29-E136 HydrophobicContact CG2-CG 4.19Å; V29-V137 HydrophobicContact CB-CG2 4.36Å; V29-V137 HydrophobicContact CG1-CG2 4.28Å; V29-V137 HydrophobicContact CG2-CG2 3.74Å; V29-M140 HydrophobicContact CG2-CE 4.37Å; V29-M140 HydrophobicContact CG2-SD 3.71Å
30V98.3Very high97.1Very high0 Ų028 Ų280%015%0.15CC..EExtended strand (participates in β ladder)trans-121.2133.8166.1-178.60000107.6L23 L24 E25 V32 L84 K86L23-V30 HydrophobicContact CD1-CG1 3.78Å; L23-V30 HydrophobicContact CD2-CG1 3.71Å; L23-V30 HydrophobicContact CG-CG1 3.56Å; L24-V30 CarbonylContact O-C 3.47Å; L24-V30 WeakPolarHBondContact O-CA 3.45Å; E25-V30 HydrophobicContact CG-CG2 4.34Å; V30-V32 HydrophobicContact CG1-CG1 3.92Å; V30-L84 HydrophobicContact CB-CB 4.32Å; V30-L84 PolarHBondContact N-O 3.39Å; V30-L84 PolarHBondContact O-N 3.21Å; V30-K86 HydrophobicContact CG2-CB 4Å; V30-K86 HydrophobicContact CG2-CG 3.93Å
31L98.7Very high97.3Very high0 Ų028.6 Ų28.60%015%0.15CC..EExtended strand (participates in β ladder)trans-102.2124.6173.3-53.3-176.7000108.8L23 L24 F81 I82 I83 V104 V137 M140L23-L31 WeakPolarHBondContact CA-O 3.33Å; L24-L31 HydrophobicContact CB-CB 4.05Å; L24-L31 HydrophobicContact CB-CD1 4.36Å; L24-L31 HydrophobicContact CB-CG 4.41Å; L24-L31 HydrophobicContact CD1-CD1 4.1Å; L24-L31 PolarHBondContact N-O 3.22Å; L24-L31 PolarHBondContact O-N 2.88Å; L31-F81 HydrophobicContact CB-CB 3.89Å; L31-F81 HydrophobicContact CB-CD1 3.86Å; L31-F81 HydrophobicContact CB-CG 3.98Å; L31-I82 WeakPolarHBondContact CA-O 3.43Å; L31-I83 HydrophobicContact CD2-CB 4.14Å; L31-I83 HydrophobicContact CD2-CG1 3.71Å; L31-I83 HydrophobicContact CD2-CG2 4.15Å; L31-V104 HydrophobicContact CD1-CG1 4.23Å; L31-V104 HydrophobicContact CD2-CG1 4.32Å; L31-V137 HydrophobicContact CD1-CG1 4.43Å; L31-V137 HydrophobicContact CD2-CG1 4.09Å; L31-V137 HydrophobicContact CD2-CG2 4.14Å; L31-M140 HydrophobicContact CD1-CB 4.1Å; L31-M140 HydrophobicContact CD1-CE 3.86Å; L31-M140 HydrophobicContact CD1-SD 4.47Å; L31-M140 HydrophobicContact CG-CE 3.82Å
32V98.3Very high97.4Very high0 Ų027.6 Ų27.60%014%0.143CC..EExtended strand (participates in β ladder)trans-125.6156.8-179.7-61.20000110.8L23 V30 F81 I82 L84 E96 Y212L23-V32 HydrophobicContact CD1-CG1 4.26Å; L23-V32 HydrophobicContact CG-CG1 4.38Å; V30-V32 HydrophobicContact CG1-CG1 3.92Å; V32-F81 CarbonylContact O-C 3.51Å; V32-F81 VanDerWaalsContact O-CA 3.24Å; V32-F81 WeakPolarHBondContact O-CA 3.39Å; V32-F81 WeakPolarHBondContact O-CD1 3.31Å; V32-I82 HydrophobicContact CG2-CB 4.01Å; V32-I82 HydrophobicContact CG2-CG2 4.5Å; V32-I82 PolarHBondContact N-O 2.59Å; V32-I82 PolarHBondContact O-N 2.92Å; V32-L84 HydrophobicContact CB-CD1 4.42Å; V32-L84 HydrophobicContact CG1-CD1 3.7Å; V32-L84 HydrophobicContact CG1-CG 4.41Å; V32-L84 HydrophobicContact CG2-CD1 3.81Å; V32-L84 HydrophobicContact CG2-CD2 4.21Å; V32-L84 HydrophobicContact CG2-CG 3.93Å; V32-E96 WeakPolarHBondContact CG2-OE1 3.45Å; V32-Y212 HydrophobicContact CB-CD2 3.89Å; V32-Y212 HydrophobicContact CB-CE2 3.63Å; V32-Y212 HydrophobicContact CG1-CD2 3.77Å; V32-Y212 HydrophobicContact CG1-CE2 3.67Å; V32-Y212 HydrophobicContact CG2-CE2 4.5Å
33P97Very high97.4Very high3 Ų329.8 Ų29.82%0.01915%0.152CC..EExtended strand (participates in β ladder)trans-64.1145.9-179.1-18.133.3000111.3N19 T22 N35 H38 Y212N19-P33 WeakPolarHBondContact O-CG 3.36Å; T22-P33 WeakPolarHBondContact O-CD 3.14Å; P33-N35 PolarHBondContact O-N 3.48Å; P33-N35 VanDerWaalsContact O-N 3.08Å; P33-N35 PolarHBondContact O-ND2 3.07Å; P33-H38 PolarHBondContact O-CE1 3.21Å; P33-Y212 VanDerWaalsContact CD-CG 3.48Å; P33-Y212 HydrophobicContact CG-CD1 3.8Å; P33-Y212 HydrophobicContact CG-CE1 4.32Å; P33-Y212 HydrophobicContact CG-CG 3.99Å
34Y96.4Very high97.3Very high12 Ų1235.3 Ų35.35%0.04718%0.178CC..  trans-74.4101.7177.2-176.6-153.5000112H38 V39 Q69 T80 I82Y34-H38 HydrophobicContact CD2-CB 3.8Å; Y34-H38 AromaticContact CD2-ND1 3.99Å; Y34-H38 HydrophobicContact CE2-CB 3.7Å; Y34-V39 HydrophobicContact CE2-CG2 4.29Å; Y34-Q69 HydrophobicContact CD1-CB 4.45Å; Y34-Q69 HydrophobicContact CD1-CG 3.77Å; Y34-Q69 HydrophobicContact CD2-CG 4.09Å; Y34-Q69 HydrophobicContact CE1-CB 3.71Å; Y34-Q69 HydrophobicContact CE1-CG 3.43Å; Y34-Q69 VanDerWaalsContact CE1-CG 3.43Å; Y34-Q69 HydrophobicContact CE2-CG 3.77Å; Y34-Q69 HydrophobicContact CG-CG 4.1Å; Y34-Q69 VanDerWaalsContact CZ-CG 3.42Å; Y34-Q69 PolarHBondContact O-NE2 2.77Å; Y34-T80 HydrophobicContact CD1-CG2 4.02Å; Y34-T80 HydrophobicContact CG-CG2 4.23Å; Y34-I82 HydrophobicContact CD2-CD1 3.62Å; Y34-I82 HydrophobicContact CD2-CG1 3.7Å; Y34-I82 HydrophobicContact CE2-CD1 4.13Å; Y34-I82 HydrophobicContact CG-CD1 4.02Å; Y34-I82 HydrophobicContact CG-CG1 4.13Å
35N95.5Very high97.3Very high8 Ų835.9 Ų35.94%0.04318%0.181CC..  trans-98.5164.7177.4-64.9-53.7000113.2P33 D37 H38 R73 Y212P33-N35 PolarHBondContact O-N 3.48Å; P33-N35 VanDerWaalsContact O-N 3.08Å; P33-N35 PolarHBondContact O-ND2 3.07Å; N35-D37 VanDerWaalsContact C-N 3.25Å; N35-D37 PolarHBondContact O-N 3.45Å; N35-H38 PolarHBondContact N-ND1 3.26Å; N35-H38 WeakPolarHBondContact O-CB 3.37Å; N35-H38 PolarHBondContact O-N 2.9Å; N35-H38 VanDerWaalsContact O-N 3.15Å; N35-R73 PolarHBondContact OD1-NH1 2.96Å; N35-R73 PolarHBondContact OD1-NH2 3.46Å; N35-Y212 VanDerWaalsContact ND2-CE1 3.29Å; N35-Y212 WeakPolarHBondContact ND2-CE1 3.44Å; N35-Y212 PolarHBondContact ND2-OH 3.22Å
36A96.4Very high97.1Very high38 Ų3834.7 Ų34.731%0.31418%0.175SC..G310 helixtrans-58.9-33.817900000113.2H38 V39 Y66A36-H38 PolarHBondContact O-N 3.4Å; A36-H38 VanDerWaalsContact O-N 3.15Å; A36-V39 VanDerWaalsContact O-CB 3.3Å; A36-V39 WeakPolarHBondContact O-CB 3.49Å; A36-V39 WeakPolarHBondContact O-CG2 3.41Å; A36-V39 PolarHBondContact O-N 3.31Å; A36-Y66 HydrophobicContact CB-CD1 4.45Å; A36-Y66 HydrophobicContact CB-CE1 4.18Å; A36-Y66 WeakPolarHBondContact O-CE1 3.34Å
37D95.9Very high97Very high100 Ų10037.1 Ų37.154%0.53520%0.2SC..G310 helixtrans-63.3-22.2-179.9-55.2-45.3000112.7N35 P40 E97N35-D37 VanDerWaalsContact C-N 3.25Å; N35-D37 PolarHBondContact O-N 3.45Å; D37-P40 WeakPolarHBondContact O-CD 3.34Å; D37-E97 HydrophobicContact CB-CG 4.5Å; D37-E97 WeakPolarHBondContact CB-OE1 3.45Å; D37-E97 WeakPolarHBondContact O-CG 3.17Å
38H97.9Very high96.9Very high1 Ų130.8 Ų30.81%0.00518%0.177CC..G310 helixtrans-77.9-20.5176.3-59.6143.9000113.8P33 Y34 N35 A36 R41 Y42 I82 E96 M100P33-H38 PolarHBondContact O-CE1 3.21Å; Y34-H38 HydrophobicContact CD2-CB 3.8Å; Y34-H38 AromaticContact CD2-ND1 3.99Å; Y34-H38 HydrophobicContact CE2-CB 3.7Å; N35-H38 PolarHBondContact N-ND1 3.26Å; N35-H38 WeakPolarHBondContact O-CB 3.37Å; N35-H38 PolarHBondContact O-N 2.9Å; N35-H38 VanDerWaalsContact O-N 3.15Å; A36-H38 PolarHBondContact O-N 3.4Å; A36-H38 VanDerWaalsContact O-N 3.15Å; H38-R41 PolarHBondContact O-N 3.38Å; H38-R41 VanDerWaalsContact O-N 3.14Å; H38-Y42 PolarHBondContact O-N 2.75Å; H38-I82 HydrophobicContact CB-CG1 4.4Å; H38-E96 IonicContact CE1-OE1 2.67Å; H38-E96 PolarHBondContact CE1-OE1 3.42Å; H38-E96 WeakPolarHBondContact NE2-CG 3.4Å; H38-E96 IonicContact NE2-OE1 2.87Å; H38-E96 PolarHBondContact NE2-OE1 2.74Å; H38-M100 HydrophobicContact CB-CE 3.85Å; H38-M100 HydrophobicContact CB-SD 3.73Å; H38-M100 VanDerWaalsContact CD2-SD 3.52Å
39V98.1Very high96.7Very high0 Ų033.1 Ų33.10%019%0.192CC..Hα-helixtrans-57.5-44.8-172.3173.30000112.7Y34 A36 R41 Y42 H43 L62 E65 Y66 Q69Y34-V39 HydrophobicContact CE2-CG2 4.29Å; A36-V39 VanDerWaalsContact O-CB 3.3Å; A36-V39 WeakPolarHBondContact O-CB 3.49Å; A36-V39 WeakPolarHBondContact O-CG2 3.41Å; A36-V39 PolarHBondContact O-N 3.31Å; V39-R41 VanDerWaalsContact C-N 3.28Å; V39-R41 PolarHBondContact O-N 3.28Å; V39-Y42 PolarHBondContact O-N 2.86Å; V39-H43 VanDerWaalsContact O-CB 3.26Å; V39-H43 WeakPolarHBondContact O-CB 3.37Å; V39-H43 PolarHBondContact O-N 3.04Å; V39-L62 HydrophobicContact CG1-CD1 3.96Å; V39-E65 HydrophobicContact CG1-CB 3.72Å; V39-Y66 HydrophobicContact CB-CD1 3.87Å; V39-Y66 HydrophobicContact CB-CE1 3.6Å; V39-Y66 HydrophobicContact CB-CE2 4.39Å; V39-Y66 HydrophobicContact CB-CG 4.38Å; V39-Y66 HydrophobicContact CG1-CD1 3.85Å; V39-Y66 HydrophobicContact CG1-CD2 3.85Å; V39-Y66 HydrophobicContact CG1-CE1 3.88Å; V39-Y66 HydrophobicContact CG1-CE2 3.86Å; V39-Y66 HydrophobicContact CG1-CG 3.83Å; V39-Y66 HydrophobicContact CG2-CD1 3.76Å; V39-Y66 HydrophobicContact CG2-CE1 3.86Å; V39-Y66 HydrophobicContact CG2-CG 4.44Å; V39-Q69 HydrophobicContact CG2-CB 3.64Å; V39-Q69 HydrophobicContact CG2-CG 3.66Å
40P98.1Very high96.5Very high52 Ų5237.6 Ų37.634%0.33821%0.213SC..Hα-helixtrans-58.7-38.3178.3-25.936.1000113.4D37 Q44D37-P40 WeakPolarHBondContact O-CD 3.34Å; P40-Q44 WeakPolarHBondContact O-CG 3.31Å; P40-Q44 PolarHBondContact O-N 2.68Å
41R97.3Very high96.2Very high77 Ų7738 Ų3829%0.29122%0.215SC..Hα-helixtrans-73.9-42.7177.8-17760173.7178.4-2.5111.3H38 V39 H43 Q44 W45 M100 E125H38-R41 PolarHBondContact O-N 3.38Å; H38-R41 VanDerWaalsContact O-N 3.14Å; V39-R41 VanDerWaalsContact C-N 3.28Å; V39-R41 PolarHBondContact O-N 3.28Å; R41-H43 VanDerWaalsContact C-N 3.34Å; R41-H43 PolarHBondContact O-N 3.21Å; R41-Q44 WeakPolarHBondContact O-CB 3.47Å; R41-Q44 PolarHBondContact O-N 3.29Å; R41-W45 HydrophobicContact CG-CZ2 4.19Å; R41-W45 PolarHBondContact O-N 3.16Å; R41-M100 HydrophobicContact CB-CE 4.01Å; R41-M100 HydrophobicContact CB-SD 3.73Å; R41-M100 HydrophobicContact CG-CB 4.2Å; R41-M100 HydrophobicContact CG-CE 4.01Å; R41-M100 HydrophobicContact CG-SD 3.85Å; R41-E125 IonicContact CZ-OE1 2.6Å; R41-E125 IonicContact NE-OE1 3.86Å; R41-E125 IonicContact NH2-OE1 3.16Å; R41-E125 PolarHBondContact NH2-OE1 3.02Å; R41-E125 IonicContact NH2-OE2 3.57Å
42Y97.1Very high95.9Very high18 Ų1839.9 Ų39.97%0.07122%0.223CC..Hα-helixtrans-60.6-44.7177-161.6-81.3000111.6H38 V39 Q44 W45 M46 I82 D103 M122H38-Y42 PolarHBondContact O-N 2.75Å; V39-Y42 PolarHBondContact O-N 2.86Å; Y42-Q44 VanDerWaalsContact C-N 3.29Å; Y42-Q44 PolarHBondContact O-N 2.92Å; Y42-W45 AromaticContact CD2-CE3 3.92Å; Y42-W45 HydrophobicContact CD2-CE3 3.92Å; Y42-W45 HydrophobicContact CD2-CZ3 4.04Å; Y42-W45 HydrophobicContact CE2-CE3 4.43Å; Y42-W45 HydrophobicContact CG-CE3 4.36Å; Y42-W45 WeakPolarHBondContact O-CA 3.47Å; Y42-W45 VanDerWaalsContact O-CB 3.32Å; Y42-W45 WeakPolarHBondContact O-CB 3.43Å; Y42-W45 PolarHBondContact O-N 2.97Å; Y42-M46 HydrophobicContact CD1-CG 3.73Å; Y42-M46 HydrophobicContact CE1-CE 4.22Å; Y42-M46 HydrophobicContact CE1-CG 3.53Å; Y42-M46 HydrophobicContact CE1-SD 4.04Å; Y42-M46 PolarHBondContact O-N 2.69Å; Y42-I82 HydrophobicContact CD2-CD1 4.29Å; Y42-D103 HydrophobicContact CE2-CB 4.18Å; Y42-M122 HydrophobicContact CE2-CE 4.25Å
43H97.1Very high95.5Very high57 Ų5747 Ų4726%0.26426%0.256SS..Hα-helixtrans-58.9-37.9175.5179.362.4000112.4V39 R41 W45 M46 G47 L60 L62 E65V39-H43 VanDerWaalsContact O-CB 3.26Å; V39-H43 WeakPolarHBondContact O-CB 3.37Å; V39-H43 PolarHBondContact O-N 3.04Å; R41-H43 VanDerWaalsContact C-N 3.34Å; R41-H43 PolarHBondContact O-N 3.21Å; H43-W45 VanDerWaalsContact C-N 3.32Å; H43-W45 PolarHBondContact O-N 3.49Å; H43-M46 PolarHBondContact O-N 3.24Å; H43-G47 PolarHBondContact O-N 2.98Å; H43-G47 VanDerWaalsContact O-N 3.14Å; H43-L60 PolarHBondContact CE1-O 2.81Å; H43-L62 HydrophobicContact CB-CD1 3.9Å; H43-E65 HydrophobicContact CB-CG 4.13Å
44Q96.6Very high95.1Very high116 Ų11650.3 Ų50.354%0.54227%0.274SS..Hα-helixtrans-61.5-40.3173.1-70.8167.88.400112P40 R41 Y42 G47P40-Q44 WeakPolarHBondContact O-CG 3.31Å; P40-Q44 PolarHBondContact O-N 2.68Å; R41-Q44 WeakPolarHBondContact O-CB 3.47Å; R41-Q44 PolarHBondContact O-N 3.29Å; Y42-Q44 VanDerWaalsContact C-N 3.29Å; Y42-Q44 PolarHBondContact O-N 2.92Å; Q44-G47 PolarHBondContact O-N 3.42Å
45W96.4Very high94.7Very high13 Ų1351.8 Ų51.85%0.04928%0.284CS..Hα-helixtrans-64.8-44174.7-63.7-28.8000111.8R41 Y42 H43 G47 C48 L51 M100 M122 A124 E125R41-W45 HydrophobicContact CG-CZ2 4.19Å; R41-W45 PolarHBondContact O-N 3.16Å; Y42-W45 AromaticContact CD2-CE3 3.92Å; Y42-W45 HydrophobicContact CD2-CE3 3.92Å; Y42-W45 HydrophobicContact CD2-CZ3 4.04Å; Y42-W45 HydrophobicContact CE2-CE3 4.43Å; Y42-W45 HydrophobicContact CG-CE3 4.36Å; Y42-W45 WeakPolarHBondContact O-CA 3.47Å; Y42-W45 VanDerWaalsContact O-CB 3.32Å; Y42-W45 WeakPolarHBondContact O-CB 3.43Å; Y42-W45 PolarHBondContact O-N 2.97Å; H43-W45 VanDerWaalsContact C-N 3.32Å; H43-W45 PolarHBondContact O-N 3.49Å; W45-G47 PolarHBondContact O-N 3.49Å; W45-G47 VanDerWaalsContact O-N 3.1Å; W45-C48 VanDerWaalsContact O-CB 3.22Å; W45-C48 WeakPolarHBondContact O-CB 3.27Å; W45-C48 PolarHBondContact O-N 3.06Å; W45-L51 HydrophobicContact CB-CD1 3.82Å; W45-L51 HydrophobicContact CG-CD1 4.43Å; W45-L51 WeakPolarHBondContact O-CD1 3.21Å; W45-M100 HydrophobicContact CE3-CE 4.46Å; W45-M100 HydrophobicContact CH2-CB 3.6Å; W45-M100 HydrophobicContact CH2-CE 3.69Å; W45-M100 HydrophobicContact CZ2-CB 3.81Å; W45-M100 HydrophobicContact CZ2-CE 4.45Å; W45-M100 HydrophobicContact CZ3-CE 3.68Å; W45-M122 HydrophobicContact CE3-CE 4.12Å; W45-A124 HydrophobicContact CB-CB 4.25Å; W45-A124 HydrophobicContact CD2-CB 3.32Å; W45-A124 VanDerWaalsContact CE2-CB 3.47Å; W45-A124 HydrophobicContact CE3-CB 3.61Å; W45-A124 HydrophobicContact CG-CB 3.64Å; W45-A124 HydrophobicContact CH2-CB 4.09Å; W45-A124 HydrophobicContact CZ2-CB 3.87Å; W45-A124 HydrophobicContact CZ3-CB 3.99Å; W45-E125 HydrophobicContact CZ2-CG 4.25Å; W45-E125 PolarHBondContact NE1-OE1 2.87Å
46M95.1Very high94.3Very high8 Ų855 Ų554%0.03931%0.312CS..Hα-helixtrans-69.1-3.5178-65.9-57.410300113.5Y42 H43 C48 L51 Q52 M122Y42-M46 HydrophobicContact CD1-CG 3.73Å; Y42-M46 HydrophobicContact CE1-CE 4.22Å; Y42-M46 HydrophobicContact CE1-CG 3.53Å; Y42-M46 HydrophobicContact CE1-SD 4.04Å; Y42-M46 PolarHBondContact O-N 2.69Å; H43-M46 PolarHBondContact O-N 3.24Å; M46-C48 VanDerWaalsContact C-N 3.35Å; M46-L51 HydrophobicContact CE-CB 4.37Å; M46-Q52 PolarHBondContact O-NE2 3.08Å; M46-M122 HydrophobicContact CE-CE 3.58Å; M46-M122 HydrophobicContact CE-SD 3.72Å
47G93.5Very high93.9Very high54 Ų5455.1 Ų55.156%0.55731%0.311SS*.THydrogen-bonded Turntrans-81.5-8.7165.100000114.5H43 Q44 W45 P49H43-G47 PolarHBondContact O-N 2.98Å; H43-G47 VanDerWaalsContact O-N 3.14Å; Q44-G47 PolarHBondContact O-N 3.42Å; W45-G47 PolarHBondContact O-N 3.49Å; W45-G47 VanDerWaalsContact O-N 3.1Å; G47-P49 WeakPolarHBondContact O-CD 3.5Å
48C95.5Very high93.5Very high43 Ų4357.8 Ų57.829%0.29132%0.32SS..  trans-87.3119.7-178.6-176.70000111.4W45 M46 E50 L51 Q52W45-C48 VanDerWaalsContact O-CB 3.22Å; W45-C48 WeakPolarHBondContact O-CB 3.27Å; W45-C48 PolarHBondContact O-N 3.06Å; M46-C48 VanDerWaalsContact C-N 3.35Å; C48-E50 VanDerWaalsContact C-N 3.27Å; C48-E50 PolarHBondContact O-N 3.46Å; C48-L51 HydrophobicContact CB-CB 4.09Å; C48-L51 HydrophobicContact CB-CD1 4.06Å; C48-L51 HydrophobicContact CB-CG 4.06Å; C48-L51 PolarHBondContact O-N 2.95Å; C48-L51 VanDerWaalsContact O-N 3.1Å; C48-Q52 WeakPolarHBondContact O-CG 3.29Å; C48-Q52 PolarHBondContact O-N 2.8Å
49P94.1Very high93.2Very high96 Ų9661.4 Ų61.462%0.62334%0.344SS*.Hα-helixtrans-61-33.4179.9-25.635.2000114G47 Q53G47-P49 WeakPolarHBondContact O-CD 3.5Å; P49-Q53 WeakPolarHBondContact O-CB 3.43Å; P49-Q53 PolarHBondContact O-N 3.45Å
50E92.8Very high93Very high94 Ų9463.8 Ų63.844%0.43936%0.356SS..Hα-helixtrans-62.9-44.8176-171.8-160.9-171.500110.7C48 Q53 L54 R129C48-E50 VanDerWaalsContact C-N 3.27Å; C48-E50 PolarHBondContact O-N 3.46Å; E50-Q53 PolarHBondContact O-N 3.15Å; E50-L54 HydrophobicContact CG-CD1 4.01Å; E50-L54 WeakPolarHBondContact O-CB 3.45Å; E50-L54 VanDerWaalsContact O-CG 3.22Å; E50-L54 WeakPolarHBondContact O-CG 3.48Å; E50-L54 PolarHBondContact O-N 3.37Å; E50-R129 VanDerWaalsContact CD-NH1 3.28Å; E50-R129 IonicContact OE1-NH1 2.77Å; E50-R129 PolarHBondContact OE1-NH1 3.04Å; E50-R129 IonicContact OE2-CZ 2.7Å; E50-R129 IonicContact OE2-NH1 2.69Å; E50-R129 PolarHBondContact OE2-NH1 3.31Å; E50-R129 IonicContact OE2-NH2 3.01Å
51L93Very high93Very high8 Ų865 Ų654%0.04236%0.362CS..Hα-helixtrans-67-48.4179.5-70.2-179.7000111W45 M46 C48 Q53 L54 T55 M122 A124 R129W45-L51 HydrophobicContact CB-CD1 3.82Å; W45-L51 HydrophobicContact CG-CD1 4.43Å; W45-L51 WeakPolarHBondContact O-CD1 3.21Å; M46-L51 HydrophobicContact CE-CB 4.37Å; C48-L51 HydrophobicContact CB-CB 4.09Å; C48-L51 HydrophobicContact CB-CD1 4.06Å; C48-L51 HydrophobicContact CB-CG 4.06Å; C48-L51 PolarHBondContact O-N 2.95Å; C48-L51 VanDerWaalsContact O-N 3.1Å; L51-Q53 VanDerWaalsContact C-N 3.26Å; L51-Q53 PolarHBondContact O-N 2.79Å; L51-L54 PolarHBondContact O-N 3.03Å; L51-T55 PolarHBondContact O-N 3.18Å; L51-T55 PolarHBondContact O-OG1 3.32Å; L51-M122 HydrophobicContact CB-SD 4.44Å; L51-M122 HydrophobicContact CD1-SD 4.3Å; L51-M122 HydrophobicContact CD2-CG 4.32Å; L51-M122 HydrophobicContact CD2-SD 3.86Å; L51-M122 HydrophobicContact CG-SD 4.44Å; L51-A124 HydrophobicContact CD1-CB 4.04Å; L51-R129 VanDerWaalsContact CD2-NH2 3.32Å
52Q92.5Very high93Very high39 Ų3964.8 Ų64.818%0.18237%0.367CS..Hα-helixtrans-50.8-46.2174.8-73173.30.300112.2M46 C48 A56 S57M46-Q52 PolarHBondContact O-NE2 3.08Å; C48-Q52 WeakPolarHBondContact O-CG 3.29Å; C48-Q52 PolarHBondContact O-N 2.8Å; Q52-A56 CarbonylContact O-C 3.44Å; Q52-A56 WeakPolarHBondContact O-CA 3.4Å; Q52-A56 PolarHBondContact O-N 2.92Å; Q52-S57 WeakPolarHBondContact CB-O 3.46Å; Q52-S57 PolarHBondContact O-N 3.09Å
53Q90.2Very high93Very high149 Ų14970.8 Ų70.870%0.69640%0.395SS*.Hα-helixtrans-65.4-41.2177.5-175.1-178.2-5.300112.2P49 E50 L51 T55P49-Q53 WeakPolarHBondContact O-CB 3.43Å; P49-Q53 PolarHBondContact O-N 3.45Å; E50-Q53 PolarHBondContact O-N 3.15Å; L51-Q53 VanDerWaalsContact C-N 3.26Å; L51-Q53 PolarHBondContact O-N 2.79Å; Q53-T55 VanDerWaalsContact C-N 3.35Å
54L87.6Confident93Very high73 Ų7372.4 Ų72.438%0.38240%0.403SS..Hα-helixtrans-72.4-26.8-178.4-72172.3000113.5E50 L51 N162E50-L54 HydrophobicContact CG-CD1 4.01Å; E50-L54 WeakPolarHBondContact O-CB 3.45Å; E50-L54 VanDerWaalsContact O-CG 3.22Å; E50-L54 WeakPolarHBondContact O-CG 3.48Å; E50-L54 PolarHBondContact O-N 3.37Å; L51-L54 PolarHBondContact O-N 3.03Å; L54-N162 HydrophobicContact CD2-CB 4.07Å
55T87.6Confident93Very high43 Ų4367.3 Ų67.326%0.26438%0.379SS..THydrogen-bonded Turntrans-104.75.4179.362.10000113.1L51 Q53 S57 M122L51-T55 PolarHBondContact O-N 3.18Å; L51-T55 PolarHBondContact O-OG1 3.32Å; Q53-T55 VanDerWaalsContact C-N 3.35Å; T55-S57 WeakPolarHBondContact CB-OG 3.24Å; T55-S57 PolarHBondContact O-N 3.25Å; T55-S57 VanDerWaalsContact O-N 3.14Å; T55-S57 PolarHBondContact O-OG 3.08Å; T55-S57 VanDerWaalsContact O-OG 3.1Å; T55-S57 WeakPolarHBondContact OG1-CB 3.48Å; T55-S57 PolarHBondContact OG1-OG 2.99Å; T55-M122 HydrophobicContact CG2-CB 4.44Å; T55-M122 HydrophobicContact CG2-CG 4.24Å; T55-M122 HydrophobicContact CG2-SD 3.69Å
56A87.1Confident93.1Very high77 Ų7770 Ų7064%0.63639%0.39SS*.THydrogen-bonded Turntrans4839-174.200000113.1Q52Q52-A56 CarbonylContact O-C 3.44Å; Q52-A56 WeakPolarHBondContact O-CA 3.4Å; Q52-A56 PolarHBondContact O-N 2.92Å
57S87.8Confident93.1Very high40 Ų4073.7 Ų73.728%0.2841%0.41SS..  trans-105.2146.8-174.9-53.30000111.8Q52 T55Q52-S57 WeakPolarHBondContact CB-O 3.46Å; Q52-S57 PolarHBondContact O-N 3.09Å; T55-S57 WeakPolarHBondContact CB-OG 3.24Å; T55-S57 PolarHBondContact O-N 3.25Å; T55-S57 VanDerWaalsContact O-N 3.14Å; T55-S57 PolarHBondContact O-OG 3.08Å; T55-S57 VanDerWaalsContact O-OG 3.1Å; T55-S57 WeakPolarHBondContact OG1-CB 3.48Å; T55-S57 PolarHBondContact OG1-OG 2.99Å
58E88.4Confident93.1Very high156 Ų15674.4 Ų74.473%0.72940%0.4SS*.  trans-98.7149173-67.4-65.215300110.4L60E58-L60 PolarHBondContact O-N 3.36Å
59P91.6Very high93.1Very high77 Ų7772.8 Ų72.850%0.539%0.388SS..  trans-65131.6176.425.8-32.4000111.3
60L94.6Very high93Very high49 Ų4973.5 Ų73.526%0.25738%0.378SS..  trans-106.8157.4172.8-64-177.5000110.6H43 E58 Q64 E65 M68H43-L60 PolarHBondContact CE1-O 2.81Å; E58-L60 PolarHBondContact O-N 3.36Å; L60-Q64 HydrophobicContact CB-CB 3.9Å; L60-Q64 HydrophobicContact CD1-CB 4.45Å; L60-Q64 HydrophobicContact CD2-CB 4.34Å; L60-Q64 HydrophobicContact CG-CB 4.46Å; L60-E65 HydrophobicContact CB-CG 3.9Å; L60-E65 HydrophobicContact CD1-CG 4.49Å; L60-M68 HydrophobicContact CD1-CB 4.36Å; L60-M68 HydrophobicContact CD1-CE 3.91Å
61T96.9Very high93Very high77 Ų7770.9 Ų70.947%0.47237%0.37SS..  trans-69.5159.2163.771.10000110E63 Q64 E65T61-E63 PolarHBondContact O-N 3.08Å; T61-Q64 WeakPolarHBondContact O-CB 3.34Å; T61-Q64 PolarHBondContact O-N 3.43Å; T61-Q64 VanDerWaalsContact O-N 3.09Å; T61-Q64 VanDerWaalsContact OG1-CG 3.29Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.38Å; T61-Q64 PolarHBondContact OG1-N 3.36Å; T61-Q64 PolarHBondContact OG1-OE1 2.84Å; T61-E65 PolarHBondContact O-N 2.92Å
62L97.1Very high92.8Very high73 Ų7373 Ų7338%0.38238%0.377SS..Hα-helixtrans-56.9-38.3177.3-179.262.9000112.5V39 H43 E65 Y66V39-L62 HydrophobicContact CG1-CD1 3.96Å; H43-L62 HydrophobicContact CB-CD1 3.9Å; L62-E65 PolarHBondContact O-N 3.1Å; L62-Y66 HydrophobicContact CD1-CD2 4.35Å; L62-Y66 HydrophobicContact CD1-CE2 3.91Å; L62-Y66 HydrophobicContact CD2-CE2 4.36Å; L62-Y66 HydrophobicContact CG-CD2 4.18Å; L62-Y66 HydrophobicContact CG-CE2 3.85Å; L62-Y66 WeakPolarHBondContact O-CD2 3.39Å; L62-Y66 PolarHBondContact O-N 3.42Å; L62-Y66 VanDerWaalsContact O-N 3.15Å
63E97.4Very high92.5Very high145 Ų14575.6 Ų75.668%0.67839%0.386SS*.Hα-helixtrans-64.5-43176.5-175175.5-16600111.8T61 E65 Y66 D67T61-E63 PolarHBondContact O-N 3.08Å; E63-E65 VanDerWaalsContact C-N 3.3Å; E63-E65 PolarHBondContact O-N 2.98Å; E63-Y66 WeakPolarHBondContact O-CB 3.38Å; E63-Y66 PolarHBondContact O-N 3.47Å; E63-Y66 VanDerWaalsContact O-N 3.13Å; E63-D67 PolarHBondContact O-N 2.88Å
64Q97.1Very high92.2Very high90 Ų9074 Ų7442%0.42138%0.378SS..Hα-helixtrans-63.9-33.5175.1-73.4171.6-30.300112.4L60 T61 Y66 D67 M68L60-Q64 HydrophobicContact CB-CB 3.9Å; L60-Q64 HydrophobicContact CD1-CB 4.45Å; L60-Q64 HydrophobicContact CD2-CB 4.34Å; L60-Q64 HydrophobicContact CG-CB 4.46Å; T61-Q64 WeakPolarHBondContact O-CB 3.34Å; T61-Q64 PolarHBondContact O-N 3.43Å; T61-Q64 VanDerWaalsContact O-N 3.09Å; T61-Q64 VanDerWaalsContact OG1-CG 3.29Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.38Å; T61-Q64 PolarHBondContact OG1-N 3.36Å; T61-Q64 PolarHBondContact OG1-OE1 2.84Å; Q64-Y66 VanDerWaalsContact C-N 3.35Å; Q64-D67 WeakPolarHBondContact O-CB 3.28Å; Q64-D67 PolarHBondContact O-N 2.78Å; Q64-M68 WeakPolarHBondContact O-CB 3.41Å; Q64-M68 PolarHBondContact O-N 3.41Å
65E97Very high92.1Very high10 Ų1073.1 Ų73.15%0.04737%0.374CS..Hα-helixtrans-66.7-37.2173-70.2-70.9-167.500112.1V39 H43 L60 T61 L62 E63 M68 Q69V39-E65 HydrophobicContact CG1-CB 3.72Å; H43-E65 HydrophobicContact CB-CG 4.13Å; L60-E65 HydrophobicContact CB-CG 3.9Å; L60-E65 HydrophobicContact CD1-CG 4.49Å; T61-E65 PolarHBondContact O-N 2.92Å; L62-E65 PolarHBondContact O-N 3.1Å; E63-E65 VanDerWaalsContact C-N 3.3Å; E63-E65 PolarHBondContact O-N 2.98Å; E65-M68 PolarHBondContact O-N 3.03Å; E65-Q69 VanDerWaalsContact O-CB 3.32Å; E65-Q69 WeakPolarHBondContact O-CB 3.23Å; E65-Q69 PolarHBondContact O-N 3.4Å
66Y97.4Very high92Very high69 Ų6974.1 Ų74.127%0.27138%0.378SS..Hα-helixtrans-65.6-38.7172.1-81.5-70.4000112.1A36 V39 L62 E63 Q64 R70A36-Y66 HydrophobicContact CB-CD1 4.45Å; A36-Y66 HydrophobicContact CB-CE1 4.18Å; A36-Y66 WeakPolarHBondContact O-CE1 3.34Å; V39-Y66 HydrophobicContact CB-CD1 3.87Å; V39-Y66 HydrophobicContact CB-CE1 3.6Å; V39-Y66 HydrophobicContact CB-CE2 4.39Å; V39-Y66 HydrophobicContact CB-CG 4.38Å; V39-Y66 HydrophobicContact CG1-CD1 3.85Å; V39-Y66 HydrophobicContact CG1-CD2 3.85Å; V39-Y66 HydrophobicContact CG1-CE1 3.88Å; V39-Y66 HydrophobicContact CG1-CE2 3.86Å; V39-Y66 HydrophobicContact CG1-CG 3.83Å; V39-Y66 HydrophobicContact CG2-CD1 3.76Å; V39-Y66 HydrophobicContact CG2-CE1 3.86Å; V39-Y66 HydrophobicContact CG2-CG 4.44Å; L62-Y66 HydrophobicContact CD1-CD2 4.35Å; L62-Y66 HydrophobicContact CD1-CE2 3.91Å; L62-Y66 HydrophobicContact CD2-CE2 4.36Å; L62-Y66 HydrophobicContact CG-CD2 4.18Å; L62-Y66 HydrophobicContact CG-CE2 3.85Å; L62-Y66 WeakPolarHBondContact O-CD2 3.39Å; L62-Y66 PolarHBondContact O-N 3.42Å; L62-Y66 VanDerWaalsContact O-N 3.15Å; E63-Y66 WeakPolarHBondContact O-CB 3.38Å; E63-Y66 PolarHBondContact O-N 3.47Å; E63-Y66 VanDerWaalsContact O-N 3.13Å; Q64-Y66 VanDerWaalsContact C-N 3.35Å; Y66-R70 WeakPolarHBondContact O-CG 3.47Å; Y66-R70 PolarHBondContact O-N 2.98Å; Y66-R70 VanDerWaalsContact O-N 3.07Å
67D96.2Very high92Very high85 Ų8573.9 Ų73.946%0.45537%0.366SS..Hα-helixtrans-61.9-46.4172.4-75.2-38.9000111.4E63 Q64 R70 S71E63-D67 PolarHBondContact O-N 2.88Å; Q64-D67 WeakPolarHBondContact O-CB 3.28Å; Q64-D67 PolarHBondContact O-N 2.78Å; D67-R70 PolarHBondContact O-N 2.86Å; D67-R70 IonicContact OD1-CZ 2.81Å; D67-R70 IonicContact OD1-NE 3.63Å; D67-R70 IonicContact OD1-NH2 3.44Å; D67-R70 PolarHBondContact OD1-NH2 2.8Å; D67-S71 PolarHBondContact O-N 2.9Å
68M92.9Very high92.2Very high70 Ų7074.1 Ų74.135%0.34536%0.362SS..Hα-helixtrans-61.3-48.3178.5-165.665.470.400111.1L60 Q64 E65 R70 S71 W72L60-M68 HydrophobicContact CD1-CB 4.36Å; L60-M68 HydrophobicContact CD1-CE 3.91Å; Q64-M68 WeakPolarHBondContact O-CB 3.41Å; Q64-M68 PolarHBondContact O-N 3.41Å; E65-M68 PolarHBondContact O-N 3.03Å; M68-R70 VanDerWaalsContact C-N 3.31Å; M68-R70 PolarHBondContact O-N 2.6Å; M68-S71 PolarHBondContact O-N 2.74Å; M68-S71 PolarHBondContact O-OG 2.7Å; M68-W72 HydrophobicContact CG-CZ2 4.29Å; M68-W72 VanDerWaalsContact O-CD1 3.26Å; M68-W72 PolarHBondContact O-N 2.79Å; M68-W72 PolarHBondContact SD-NE1 3.32Å
69Q95.2Very high92.5Very high9 Ų966.7 Ų66.74%0.04233%0.327CS..Hα-helixtrans-57.4-43.1177-176.7-81-38.500112Y34 V39 E65 W72 R73Y34-Q69 HydrophobicContact CD1-CB 4.45Å; Y34-Q69 HydrophobicContact CD1-CG 3.77Å; Y34-Q69 HydrophobicContact CD2-CG 4.09Å; Y34-Q69 HydrophobicContact CE1-CB 3.71Å; Y34-Q69 HydrophobicContact CE1-CG 3.43Å; Y34-Q69 VanDerWaalsContact CE1-CG 3.43Å; Y34-Q69 HydrophobicContact CE2-CG 3.77Å; Y34-Q69 HydrophobicContact CG-CG 4.1Å; Y34-Q69 VanDerWaalsContact CZ-CG 3.42Å; Y34-Q69 PolarHBondContact O-NE2 2.77Å; V39-Q69 HydrophobicContact CG2-CB 3.64Å; V39-Q69 HydrophobicContact CG2-CG 3.66Å; E65-Q69 VanDerWaalsContact O-CB 3.32Å; E65-Q69 WeakPolarHBondContact O-CB 3.23Å; E65-Q69 PolarHBondContact O-N 3.4Å; Q69-W72 PolarHBondContact O-N 2.81Å; Q69-R73 WeakPolarHBondContact O-CB 3.26Å; Q69-R73 PolarHBondContact O-N 3.5Å
70R93.6Very high92.7Very high110 Ų11063.4 Ų63.442%0.41531%0.305SS..Hα-helixtrans-60.6-50.3175.6-78.9-172.5-70.1-88.97.4111.2Y66 D67 M68 W72 R73 E74Y66-R70 WeakPolarHBondContact O-CG 3.47Å; Y66-R70 PolarHBondContact O-N 2.98Å; Y66-R70 VanDerWaalsContact O-N 3.07Å; D67-R70 PolarHBondContact O-N 2.86Å; D67-R70 IonicContact OD1-CZ 2.81Å; D67-R70 IonicContact OD1-NE 3.63Å; D67-R70 IonicContact OD1-NH2 3.44Å; D67-R70 PolarHBondContact OD1-NH2 2.8Å; M68-R70 VanDerWaalsContact C-N 3.31Å; M68-R70 PolarHBondContact O-N 2.6Å; R70-W72 PolarHBondContact O-N 2.97Å; R70-R73 PolarHBondContact O-N 2.82Å; R70-E74 WeakPolarHBondContact O-CB 3.42Å; R70-E74 WeakPolarHBondContact O-CG 3.25Å; R70-E74 PolarHBondContact O-N 3.33Å
71S91Very high92.9Very high40 Ų4061 Ų6128%0.2829%0.293SS..Hα-helixtrans-57.6-47.2178.370.20000112D67 M68 R73 E74 D75D67-S71 PolarHBondContact O-N 2.9Å; M68-S71 PolarHBondContact O-N 2.74Å; M68-S71 PolarHBondContact O-OG 2.7Å; S71-R73 PolarHBondContact O-N 3.24Å; S71-E74 PolarHBondContact O-N 2.78Å; S71-E74 VanDerWaalsContact O-N 3.09Å; S71-D75 VanDerWaalsContact O-CB 3.3Å; S71-D75 WeakPolarHBondContact O-CB 3.37Å; S71-D75 PolarHBondContact O-N 3.5Å
72W89.1Confident93Very high51 Ų5157.4 Ų57.419%0.19327%0.271CS..Hα-helixtrans-64.5-29.8-179.1-73.524.7000113.2M68 Q69 R70 K78 T80M68-W72 HydrophobicContact CG-CZ2 4.29Å; M68-W72 VanDerWaalsContact O-CD1 3.26Å; M68-W72 PolarHBondContact O-N 2.79Å; M68-W72 PolarHBondContact SD-NE1 3.32Å; Q69-W72 PolarHBondContact O-N 2.81Å; R70-W72 PolarHBondContact O-N 2.97Å; W72-K78 HydrophobicContact CB-CD 4.41Å; W72-K78 HydrophobicContact CG-CD 4.09Å; W72-T80 HydrophobicContact CE3-CG2 4.39Å
73R85.9Confident93.1Very high94 Ų9453.9 Ų53.936%0.35525%0.252SS..Hα-helixtrans-77.9-29.9176.7-175.6167.5-166.4167.817.5113.1N35 Q69 R70 S71N35-R73 PolarHBondContact OD1-NH1 2.96Å; N35-R73 PolarHBondContact OD1-NH2 3.46Å; Q69-R73 WeakPolarHBondContact O-CB 3.26Å; Q69-R73 PolarHBondContact O-N 3.5Å; R70-R73 PolarHBondContact O-N 2.82Å; S71-R73 PolarHBondContact O-N 3.24Å
74E85.3Confident93.1Very high115 Ų11547 Ų4754%0.53722%0.22SC..Hα-helixtrans-95.5-17.6-176-66.6-176.6164.100113.2R70 S71R70-E74 WeakPolarHBondContact O-CB 3.42Å; R70-E74 WeakPolarHBondContact O-CG 3.25Å; R70-E74 PolarHBondContact O-N 3.33Å; S71-E74 PolarHBondContact O-N 2.78Å; S71-E74 VanDerWaalsContact O-N 3.09Å
75D85.7Confident93.2Very high56 Ų5643.8 Ų43.830%0.29921%0.206SC..  trans-71.3131.1-179.2-80.2-19.1000112.6S71 D77 K78S71-D75 VanDerWaalsContact O-CB 3.3Å; S71-D75 WeakPolarHBondContact O-CB 3.37Å; S71-D75 PolarHBondContact O-N 3.5Å; D75-D77 PolarHBondContact O-N 3.3Å; D75-K78 HydrophobicContact CB-CB 4.36Å; D75-K78 HydrophobicContact CB-CD 4.04Å; D75-K78 HydrophobicContact CB-CG 3.87Å; D75-K78 PolarHBondContact O-N 3.05Å; D75-K78 WeakPolarHBondContact OD2-CE 3Å; D75-K78 IonicContact OD2-NZ 3.22Å; D75-K78 PolarHBondContact OD2-NZ 2.88Å
76D84.1Confident93.2Very high63 Ų6345.9 Ų45.934%0.33722%0.215SC..THydrogen-bonded Turntrans-76.6-5-178.6-66.9-20.1000113.4I15 M16I15-D76 WeakPolarHBondContact CA-OD1 3.04Å; I15-D76 WeakPolarHBondContact CG2-OD1 3.34Å; M16-D76 WeakPolarHBondContact CB-O 3.35Å; M16-D76 WeakPolarHBondContact CE-O 3.39Å; M16-D76 WeakPolarHBondContact CG-O 3.39Å; M16-D76 PolarHBondContact N-OD1 2.84Å
77D87.5Confident93.2Very high72 Ų7250.4 Ų50.439%0.38524%0.239SC..THydrogen-bonded Turntrans-110.44.1-179.764.9-5.1000113.3D75 F107 L108D75-D77 PolarHBondContact O-N 3.3Å; D77-F107 CarbonylContact O-C 3.51Å; D77-F107 WeakPolarHBondContact O-CA 3.41Å; D77-L108 HydrophobicContact CB-CB 4.01Å; D77-L108 PolarHBondContact O-N 3.1Å
78K91.8Very high93.2Very high46 Ų4651.1 Ų51.120%0.224%0.235CC..EExtended strand (participates in β ladder)trans-122.3141.3-178.4-46.9-170176143.80112.3M16 W72 D75 I106 F107M16-K78 VanDerWaalsContact CE-N 3.29Å; W72-K78 HydrophobicContact CB-CD 4.41Å; W72-K78 HydrophobicContact CG-CD 4.09Å; D75-K78 HydrophobicContact CB-CB 4.36Å; D75-K78 HydrophobicContact CB-CD 4.04Å; D75-K78 HydrophobicContact CB-CG 3.87Å; D75-K78 PolarHBondContact O-N 3.05Å; D75-K78 WeakPolarHBondContact OD2-CE 3Å; D75-K78 IonicContact OD2-NZ 3.22Å; D75-K78 PolarHBondContact OD2-NZ 2.88Å; K78-I106 CarbonylContact C-O 3.57Å; K78-I106 WeakPolarHBondContact CA-O 3.4Å; K78-F107 HydrophobicContact CB-CD1 4.04Å; K78-F107 HydrophobicContact CB-CE1 4.18Å; K78-F107 HydrophobicContact CD-CD1 4.03Å; K78-F107 HydrophobicContact CD-CE1 3.9Å; K78-F107 HydrophobicContact CG-CD1 3.76Å; K78-F107 HydrophobicContact CG-CE1 4.04Å
79C95.4Very high93.4Very high0 Ų048.6 Ų48.60%022%0.221CC..EExtended strand (participates in β ladder)trans-136.2100.7172176.80000109M16 N105 I106 M141 L149M16-C79 HydrophobicContact CE-CB 4.4Å; C79-N105 WeakPolarHBondContact O-CA 3.35Å; C79-I106 HydrophobicContact CB-CB 4.29Å; C79-I106 PolarHBondContact N-O 2.84Å; C79-I106 PolarHBondContact O-N 2.9Å; C79-M141 HydrophobicContact CB-CE 4.38Å; C79-M141 VanDerWaalsContact O-CE 3.3Å; C79-M141 WeakPolarHBondContact O-CE 3.18Å; C79-L149 HydrophobicContact CB-CD1 4.1Å
80T96.2Very high93.3Very high7 Ų751.7 Ų51.74%0.04325%0.249CC..EExtended strand (participates in β ladder)trans-107.9132.4-177.6-57.70000111.6N19 Y34 W72 N105N19-T80 PolarHBondContact ND2-O 2.83Å; Y34-T80 HydrophobicContact CD1-CG2 4.02Å; Y34-T80 HydrophobicContact CG-CG2 4.23Å; W72-T80 HydrophobicContact CE3-CG2 4.39Å; T80-N105 VanDerWaalsContact CB-OD1 3.26Å; T80-N105 WeakPolarHBondContact CB-OD1 3.12Å; T80-N105 WeakPolarHBondContact CG2-OD1 3.45Å; T80-N105 PolarHBondContact OG1-OD1 3.28Å
81F98.4Very high93.4Very high0 Ų050.1 Ų50.10%025%0.249CC..EExtended strand (participates in β ladder)trans-118.5144.8165.5-69.8-89.8000111N19 T22 L24 L31 V32 D103 V104 M141 Y144N19-F81 HydrophobicContact CB-CE1 3.95Å; N19-F81 HydrophobicContact CB-CE2 3.93Å; N19-F81 HydrophobicContact CB-CZ 3.41Å; N19-F81 VanDerWaalsContact CB-CZ 3.41Å; T22-F81 HydrophobicContact CG2-CE1 4.14Å; T22-F81 HydrophobicContact CG2-CZ 4.05Å; L24-F81 HydrophobicContact CD1-CE2 4.3Å; L24-F81 HydrophobicContact CD1-CZ 4.08Å; L24-F81 HydrophobicContact CG-CZ 4.43Å; L31-F81 HydrophobicContact CB-CB 3.89Å; L31-F81 HydrophobicContact CB-CD1 3.86Å; L31-F81 HydrophobicContact CB-CG 3.98Å; V32-F81 CarbonylContact O-C 3.51Å; V32-F81 VanDerWaalsContact O-CA 3.24Å; V32-F81 WeakPolarHBondContact O-CA 3.39Å; V32-F81 WeakPolarHBondContact O-CD1 3.31Å; F81-D103 CarbonylContact O-C 3.54Å; F81-D103 VanDerWaalsContact O-CA 3.28Å; F81-D103 WeakPolarHBondContact O-CA 3.28Å; F81-D103 WeakPolarHBondContact O-CB 3.43Å; F81-V104 HydrophobicContact CB-CG1 3.91Å; F81-V104 PolarHBondContact N-O 3.37Å; F81-V104 PolarHBondContact O-N 2.57Å; F81-M141 HydrophobicContact CD2-CE 3.86Å; F81-M141 HydrophobicContact CD2-SD 3.79Å; F81-M141 HydrophobicContact CE2-CE 4.13Å; F81-M141 HydrophobicContact CE2-SD 4.07Å; F81-Y144 HydrophobicContact CE2-CD1 4.15Å; F81-Y144 HydrophobicContact CE2-CE1 4.01Å; F81-Y144 HydrophobicContact CZ-CE1 4.28Å; F81-Y144 HydrophobicContact CZ-CE2 4.34Å
82I98.6Very high93.4Very high0 Ų050.1 Ų50.10%025%0.247CC..EExtended strand (participates in β ladder)trans-87.8135.2165.6-61.4-59.8000108.9L31 V32 Y34 H38 Y42 L84 M100 D103L31-I82 WeakPolarHBondContact CA-O 3.43Å; V32-I82 HydrophobicContact CG2-CB 4.01Å; V32-I82 HydrophobicContact CG2-CG2 4.5Å; V32-I82 PolarHBondContact N-O 2.59Å; V32-I82 PolarHBondContact O-N 2.92Å; Y34-I82 HydrophobicContact CD2-CD1 3.62Å; Y34-I82 HydrophobicContact CD2-CG1 3.7Å; Y34-I82 HydrophobicContact CE2-CD1 4.13Å; Y34-I82 HydrophobicContact CG-CD1 4.02Å; Y34-I82 HydrophobicContact CG-CG1 4.13Å; H38-I82 HydrophobicContact CB-CG1 4.4Å; Y42-I82 HydrophobicContact CD2-CD1 4.29Å; I82-L84 HydrophobicContact CG2-CD2 3.88Å; I82-M100 HydrophobicContact CD1-CE 4.27Å; I82-M100 HydrophobicContact CG2-CB 4.33Å; I82-M100 HydrophobicContact CG2-CE 3.87Å; I82-M100 HydrophobicContact CG2-CG 3.68Å; I82-M100 HydrophobicContact CG2-SD 4.23Å; I82-D103 HydrophobicContact CD1-CB 4.02Å
83I98.8Very high93.5Very high0 Ų051 Ų510%027%0.265CS..EExtended strand (participates in β ladder)trans-91.5122.5177.9-50.7164.6000108.1V29 L31 V101 G102 D103 I121 I123 V137V29-I83 HydrophobicContact CB-CG2 3.93Å; V29-I83 HydrophobicContact CG1-CG2 3.82Å; L31-I83 HydrophobicContact CD2-CB 4.14Å; L31-I83 HydrophobicContact CD2-CG1 3.71Å; L31-I83 HydrophobicContact CD2-CG2 4.15Å; I83-V101 HydrophobicContact CB-CG2 4Å; I83-V101 HydrophobicContact CG2-CG2 3.55Å; I83-V101 WeakPolarHBondContact O-CG2 3.25Å; I83-V101 PolarHBondContact O-N 3.05Å; I83-G102 PolarHBondContact N-O 2.98Å; I83-G102 PolarHBondContact O-N 2.89Å; I83-D103 WeakPolarHBondContact CD1-O 3.4Å; I83-I121 HydrophobicContact CD1-CG1 4.31Å; I83-I123 HydrophobicContact CD1-CD1 3.77Å; I83-V137 HydrophobicContact CD1-CB 4.37Å; I83-V137 HydrophobicContact CD1-CG1 3.84Å; I83-V137 HydrophobicContact CD1-CG2 3.99Å; I83-V137 HydrophobicContact CG1-CG1 4.09Å; I83-V137 HydrophobicContact CG1-CG2 4.15Å; I83-V137 HydrophobicContact CG2-CG2 3.86Å
84L98.7Very high93.9Very high0 Ų047.7 Ų47.70%026%0.256CS..EExtended strand (participates in β ladder)trans-108.2146.5174.7-50.1-178.1000111.2V29 V30 V32 I82 K86 W89 E96 C99 M100V29-L84 VanDerWaalsContact CA-O 3.26Å; V29-L84 WeakPolarHBondContact CA-O 3.42Å; V30-L84 HydrophobicContact CB-CB 4.32Å; V30-L84 PolarHBondContact N-O 3.39Å; V30-L84 PolarHBondContact O-N 3.21Å; V32-L84 HydrophobicContact CB-CD1 4.42Å; V32-L84 HydrophobicContact CG1-CD1 3.7Å; V32-L84 HydrophobicContact CG1-CG 4.41Å; V32-L84 HydrophobicContact CG2-CD1 3.81Å; V32-L84 HydrophobicContact CG2-CD2 4.21Å; V32-L84 HydrophobicContact CG2-CG 3.93Å; I82-L84 HydrophobicContact CG2-CD2 3.88Å; L84-K86 PolarHBondContact O-N 2.88Å; L84-W89 HydrophobicContact CD1-CD2 3.68Å; L84-W89 HydrophobicContact CD1-CE3 3.76Å; L84-W89 HydrophobicContact CD1-CG 4.14Å; L84-W89 HydrophobicContact CD1-CZ2 4.42Å; L84-W89 HydrophobicContact CD1-CZ3 4.23Å; L84-E96 HydrophobicContact CD1-CG 3.81Å; L84-E96 HydrophobicContact CD2-CG 4.22Å; L84-C99 CarbonylContact C-O 3.54Å; L84-C99 VanDerWaalsContact CA-O 3.3Å; L84-C99 WeakPolarHBondContact CA-O 3.46Å; L84-C99 HydrophobicContact CB-CB 4.13Å; L84-C99 HydrophobicContact CD2-CB 4.23Å; L84-M100 HydrophobicContact CD2-CB 4.4Å; L84-M100 HydrophobicContact CD2-CG 3.81Å
85D98.4Very high94.4Very high22 Ų2246.7 Ų46.712%0.11825%0.251CS..EExtended strand (participates in β ladder)trans-67114.5162.3177.4-14.1000109.3Q87 R88 W89 C99 V101 Y128D85-Q87 VanDerWaalsContact C-N 3.3Å; D85-Q87 PolarHBondContact O-N 2.7Å; D85-Q87 WeakPolarHBondContact OD1-CB 3.41Å; D85-Q87 PolarHBondContact OD1-N 2.9Å; D85-R88 HydrophobicContact CB-CB 4.23Å; D85-R88 HydrophobicContact CB-CG 4.33Å; D85-R88 PolarHBondContact O-N 2.77Å; D85-R88 PolarHBondContact OD1-N 2.84Å; D85-R88 WeakPolarHBondContact OD2-CG 3.27Å; D85-W89 WeakPolarHBondContact O-CB 3.26Å; D85-W89 PolarHBondContact O-N 3.17Å; D85-C99 PolarHBondContact N-O 3.43Å; D85-V101 HydrophobicContact CB-CG1 4.06Å; D85-Y128 HydrophobicContact CB-CE1 3.89Å; D85-Y128 VanDerWaalsContact OD2-CE1 3.26Å; D85-Y128 WeakPolarHBondContact OD2-CE1 3.26Å; D85-Y128 PolarHBondContact OD2-OH 2.99Å
86K97.6Very high94.9Very high54 Ų5444.8 Ų44.824%0.23524%0.24CC..Hα-helixtrans-59.9-37.2-179.2-176.4177.6-176.2170.90113E25 G26 K27 S28 V30 L84 W89 A90E25-K86 HydrophobicContact CG-CD 4.2Å; E25-K86 VanDerWaalsContact CG-NZ 3.32Å; E25-K86 WeakPolarHBondContact OE1-CE 3.42Å; E25-K86 IonicContact OE1-NZ 2.75Å; E25-K86 PolarHBondContact OE1-NZ 3.02Å; E25-K86 VanDerWaalsContact OE2-CE 3.31Å; E25-K86 WeakPolarHBondContact OE2-CE 3.46Å; E25-K86 IonicContact OE2-NZ 3.6Å; G26-K86 PolarHBondContact O-NZ 2.77Å; K27-K86 WeakPolarHBondContact O-CD 3.23Å; S28-K86 VanDerWaalsContact O-CB 3.27Å; S28-K86 WeakPolarHBondContact O-CB 3.35Å; S28-K86 PolarHBondContact O-N 2.9Å; S28-K86 VanDerWaalsContact O-N 3.1Å; V30-K86 HydrophobicContact CG2-CB 4Å; V30-K86 HydrophobicContact CG2-CG 3.93Å; L84-K86 PolarHBondContact O-N 2.88Å; K86-W89 CarbonylContact O-C 3.49Å; K86-W89 PolarHBondContact O-N 2.97Å; K86-A90 PolarHBondContact O-N 3.29Å
87Q96.9Very high95.4Very high165 Ų16544.2 Ų44.277%0.77124%0.236SC*.Hα-helixtrans-69.6-43.2-177.4-176178.7-8.200110.9D85 A90D85-Q87 VanDerWaalsContact C-N 3.3Å; D85-Q87 PolarHBondContact O-N 2.7Å; D85-Q87 WeakPolarHBondContact OD1-CB 3.41Å; D85-Q87 PolarHBondContact OD1-N 2.9Å; Q87-A90 WeakPolarHBondContact O-CB 3.4Å; Q87-A90 PolarHBondContact O-N 2.81Å
88R96.8Very high95.9Very high100 Ų10045.8 Ų45.838%0.37724%0.241SC..Hα-helixtrans-69.2-40.1174.8-65.4-172.776.9-160.6-2.3111.3D85 A90 D91 Q98D85-R88 HydrophobicContact CB-CB 4.23Å; D85-R88 HydrophobicContact CB-CG 4.33Å; D85-R88 PolarHBondContact O-N 2.77Å; D85-R88 PolarHBondContact OD1-N 2.84Å; D85-R88 WeakPolarHBondContact OD2-CG 3.27Å; R88-A90 PolarHBondContact O-N 2.88Å; R88-D91 PolarHBondContact O-N 3.13Å; R88-D91 VanDerWaalsContact O-N 3.11Å; R88-Q98 VanDerWaalsContact CZ-O 3.3Å; R88-Q98 PolarHBondContact NH1-O 3.41Å
89W95.8Very high96.1Very high16 Ų1643.6 Ų43.66%0.06123%0.231CC..Hα-helixtrans-63.5-18.7173.7-174.7-109.3000112.8L84 D85 K86 D91 E96 C99 R219L84-W89 HydrophobicContact CD1-CD2 3.68Å; L84-W89 HydrophobicContact CD1-CE3 3.76Å; L84-W89 HydrophobicContact CD1-CG 4.14Å; L84-W89 HydrophobicContact CD1-CZ2 4.42Å; L84-W89 HydrophobicContact CD1-CZ3 4.23Å; D85-W89 WeakPolarHBondContact O-CB 3.26Å; D85-W89 PolarHBondContact O-N 3.17Å; K86-W89 CarbonylContact O-C 3.49Å; K86-W89 PolarHBondContact O-N 2.97Å; W89-D91 VanDerWaalsContact C-N 3.27Å; W89-D91 PolarHBondContact O-N 3.04Å; W89-E96 HydrophobicContact CE3-CB 4.31Å; W89-E96 HydrophobicContact CE3-CG 4.14Å; W89-E96 HydrophobicContact CH2-CB 3.86Å; W89-E96 HydrophobicContact CH2-CG 3.64Å; W89-E96 WeakPolarHBondContact CH2-OE2 3.42Å; W89-E96 VanDerWaalsContact CZ3-CA 3.41Å; W89-E96 HydrophobicContact CZ3-CB 3.36Å; W89-E96 HydrophobicContact CZ3-CG 3.39Å; W89-C99 HydrophobicContact CB-CB 4.37Å; W89-C99 HydrophobicContact CE3-CB 4.28Å; W89-R219 PolarHBondContact O-NH1 2.84Å; W89-R219 PolarHBondContact O-NH2 3.16Å
90A94.1Very high96.3Very high75 Ų7543.8 Ų43.862%0.6223%0.232SC*.THydrogen-bonded Turntrans-72.1-22.3174.800000112.9K86 Q87 R88 P92K86-A90 PolarHBondContact O-N 3.29Å; Q87-A90 WeakPolarHBondContact O-CB 3.4Å; Q87-A90 PolarHBondContact O-N 2.81Å; R88-A90 PolarHBondContact O-N 2.88Å; A90-P92 WeakPolarHBondContact O-CD 3.5Å
91D94.5Very high96.4Very high77 Ų7743.5 Ų43.541%0.41223%0.231SC..  trans-85.5114.2177.5-174.8-10.5000109.8R88 W89 A93 V94 R219R88-D91 PolarHBondContact O-N 3.13Å; R88-D91 VanDerWaalsContact O-N 3.11Å; W89-D91 VanDerWaalsContact C-N 3.27Å; W89-D91 PolarHBondContact O-N 3.04Å; D91-A93 PolarHBondContact O-N 2.88Å; D91-A93 VanDerWaalsContact OD1-CB 3.31Å; D91-A93 WeakPolarHBondContact OD1-CB 3.44Å; D91-A93 PolarHBondContact OD1-N 3.17Å; D91-V94 HydrophobicContact CB-CG2 3.91Å; D91-V94 PolarHBondContact O-N 2.92Å; D91-R219 PolarHBondContact O-NH2 3.3Å
92P91.1Very high96.4Very high39 Ų3943.5 Ų43.525%0.25323%0.231SC..THydrogen-bonded Turntrans-64.8-24.4179.726.9-33.5000112.5A90 V94 V222 T223A90-P92 WeakPolarHBondContact O-CD 3.5Å; P92-V94 PolarHBondContact O-N 2.84Å; P92-V222 HydrophobicContact CB-CB 4.1Å; P92-V222 HydrophobicContact CB-CG1 3.96Å; P92-V222 HydrophobicContact CG-CB 4.32Å; P92-V222 HydrophobicContact CG-CG1 3.64Å; P92-T223 VanDerWaalsContact C-CG2 3.49Å; P92-T223 HydrophobicContact CB-CG2 4.24Å; P92-T223 WeakPolarHBondContact O-CG2 3.41Å
93A92.7Very high96.4Very high69 Ų6943.7 Ų43.757%0.5723%0.232SC*.THydrogen-bonded Turntrans-69.6-19.9178.200000113D91D91-A93 PolarHBondContact O-N 2.88Å; D91-A93 VanDerWaalsContact OD1-CB 3.31Å; D91-A93 WeakPolarHBondContact OD1-CB 3.44Å; D91-A93 PolarHBondContact OD1-N 3.17Å
94V94.4Very high96.4Very high25 Ų2543.7 Ų43.715%0.15223%0.232CC..SBendtrans-88.4123.1177.5-173.60000109.7D91 P92 Q98 C99 R219D91-V94 HydrophobicContact CB-CG2 3.91Å; D91-V94 PolarHBondContact O-N 2.92Å; P92-V94 PolarHBondContact O-N 2.84Å; V94-Q98 HydrophobicContact CG1-CB 3.84Å; V94-C99 VanDerWaalsContact CG1-SG 3.54Å; V94-R219 PolarHBondContact O-NH2 3.37Å
95Q94.3Very high96.3Very high95 Ų9543.8 Ų43.844%0.44423%0.232SC..  trans-66.4152.6176.9-56.3-62.8-54.500111.6E97 Q98 C99Q95-E97 VanDerWaalsContact C-N 3.3Å; Q95-E97 WeakPolarHBondContact CB-OE2 3.45Å; Q95-E97 PolarHBondContact O-N 3.43Å; Q95-Q98 HydrophobicContact CB-CG 4.37Å; Q95-Q98 WeakPolarHBondContact O-CB 3.33Å; Q95-Q98 PolarHBondContact O-N 3.46Å; Q95-Q98 VanDerWaalsContact O-N 3.12Å; Q95-C99 PolarHBondContact O-N 3.16Å; Q95-C99 PolarHBondContact O-SG 3.29Å; Q95-C99 VanDerWaalsContact O-SG 3.38Å
96E96.4Very high96.2Very high15 Ų1542.8 Ų42.87%0.0723%0.227CC..Hα-helixtrans-57.9-43.2-175.5-166.8165137.500112.2V32 H38 L84 W89 Q98 C99 M100 Y212V32-E96 WeakPolarHBondContact CG2-OE1 3.45Å; H38-E96 IonicContact CE1-OE1 2.67Å; H38-E96 PolarHBondContact CE1-OE1 3.42Å; H38-E96 WeakPolarHBondContact NE2-CG 3.4Å; H38-E96 IonicContact NE2-OE1 2.87Å; H38-E96 PolarHBondContact NE2-OE1 2.74Å; L84-E96 HydrophobicContact CD1-CG 3.81Å; L84-E96 HydrophobicContact CD2-CG 4.22Å; W89-E96 HydrophobicContact CE3-CB 4.31Å; W89-E96 HydrophobicContact CE3-CG 4.14Å; W89-E96 HydrophobicContact CH2-CB 3.86Å; W89-E96 HydrophobicContact CH2-CG 3.64Å; W89-E96 WeakPolarHBondContact CH2-OE2 3.42Å; W89-E96 VanDerWaalsContact CZ3-CA 3.41Å; W89-E96 HydrophobicContact CZ3-CB 3.36Å; W89-E96 HydrophobicContact CZ3-CG 3.39Å; E96-Q98 PolarHBondContact O-N 2.89Å; E96-C99 WeakPolarHBondContact O-CA 3.01Å; E96-C99 WeakPolarHBondContact O-CB 3.43Å; E96-C99 PolarHBondContact O-N 2.9Å; E96-M100 PolarHBondContact O-N 2.69Å; E96-Y212 VanDerWaalsContact CD-OH 3.23Å; E96-Y212 PolarHBondContact OE1-OH 3.3Å; E96-Y212 PolarHBondContact OE2-OH 3.23Å
97E95.8Very high96.1Very high52 Ų5241.6 Ų41.624%0.24322%0.221CC..Hα-helixtrans-63.8-28.3-177.6-47.871.9-155.300111.5D37 Q95 C99 M100D37-E97 HydrophobicContact CB-CG 4.5Å; D37-E97 WeakPolarHBondContact CB-OE1 3.45Å; D37-E97 WeakPolarHBondContact O-CG 3.17Å; Q95-E97 VanDerWaalsContact C-N 3.3Å; Q95-E97 WeakPolarHBondContact CB-OE2 3.45Å; Q95-E97 PolarHBondContact O-N 3.43Å; E97-C99 VanDerWaalsContact C-N 3.3Å; E97-M100 HydrophobicContact CB-SD 4.22Å; E97-M100 WeakPolarHBondContact O-CB 3.32Å; E97-M100 WeakPolarHBondContact O-CG 3.22Å
98Q96.3Very high95.9Very high104 Ų10435.4 Ų35.449%0.48619%0.193SC..Hα-helixtrans-79.6-16176.7-60.6-178.442.500112.7R88 V94 Q95 E96R88-Q98 VanDerWaalsContact CZ-O 3.3Å; R88-Q98 PolarHBondContact NH1-O 3.41Å; V94-Q98 HydrophobicContact CG1-CB 3.84Å; Q95-Q98 HydrophobicContact CB-CG 4.37Å; Q95-Q98 WeakPolarHBondContact O-CB 3.33Å; Q95-Q98 PolarHBondContact O-N 3.46Å; Q95-Q98 VanDerWaalsContact O-N 3.12Å; E96-Q98 PolarHBondContact O-N 2.89Å
99C97.9Very high95.6Very high1 Ų133.5 Ų33.51%0.00719%0.193CC..Hα-helixtrans-89-12.8176.1-57.40000112.3L84 D85 W89 V94 Q95 E96 E97 V101L84-C99 CarbonylContact C-O 3.54Å; L84-C99 VanDerWaalsContact CA-O 3.3Å; L84-C99 WeakPolarHBondContact CA-O 3.46Å; L84-C99 HydrophobicContact CB-CB 4.13Å; L84-C99 HydrophobicContact CD2-CB 4.23Å; D85-C99 PolarHBondContact N-O 3.43Å; W89-C99 HydrophobicContact CB-CB 4.37Å; W89-C99 HydrophobicContact CE3-CB 4.28Å; V94-C99 VanDerWaalsContact CG1-SG 3.54Å; Q95-C99 PolarHBondContact O-N 3.16Å; Q95-C99 PolarHBondContact O-SG 3.29Å; Q95-C99 VanDerWaalsContact O-SG 3.38Å; E96-C99 WeakPolarHBondContact O-CA 3.01Å; E96-C99 WeakPolarHBondContact O-CB 3.43Å; E96-C99 PolarHBondContact O-N 2.9Å; E97-C99 VanDerWaalsContact C-N 3.3Å; C99-V101 PolarHBondContact O-N 2.88Å
100M98.6Very high95.2Very high4 Ų435.5 Ų35.52%0.0221%0.205CC..EExtended strand (participates in β ladder)trans-59.2132.1-178.7-65.7179.156.400112.4H38 R41 W45 I82 L84 E96 E97H38-M100 HydrophobicContact CB-CE 3.85Å; H38-M100 HydrophobicContact CB-SD 3.73Å; H38-M100 VanDerWaalsContact CD2-SD 3.52Å; R41-M100 HydrophobicContact CB-CE 4.01Å; R41-M100 HydrophobicContact CB-SD 3.73Å; R41-M100 HydrophobicContact CG-CB 4.2Å; R41-M100 HydrophobicContact CG-CE 4.01Å; R41-M100 HydrophobicContact CG-SD 3.85Å; W45-M100 HydrophobicContact CE3-CE 4.46Å; W45-M100 HydrophobicContact CH2-CB 3.6Å; W45-M100 HydrophobicContact CH2-CE 3.69Å; W45-M100 HydrophobicContact CZ2-CB 3.81Å; W45-M100 HydrophobicContact CZ2-CE 4.45Å; W45-M100 HydrophobicContact CZ3-CE 3.68Å; I82-M100 HydrophobicContact CD1-CE 4.27Å; I82-M100 HydrophobicContact CG2-CB 4.33Å; I82-M100 HydrophobicContact CG2-CE 3.87Å; I82-M100 HydrophobicContact CG2-CG 3.68Å; I82-M100 HydrophobicContact CG2-SD 4.23Å; L84-M100 HydrophobicContact CD2-CB 4.4Å; L84-M100 HydrophobicContact CD2-CG 3.81Å; E96-M100 PolarHBondContact O-N 2.69Å; E97-M100 HydrophobicContact CB-SD 4.22Å; E97-M100 WeakPolarHBondContact O-CB 3.32Å; E97-M100 WeakPolarHBondContact O-CG 3.22Å
101V98.5Very high94.9Very high1 Ų138.4 Ų38.41%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-128.5-11.1177.1-59.70000114.2I83 D85 C99 I123 A124 E125 Y128 L133I83-V101 HydrophobicContact CB-CG2 4Å; I83-V101 HydrophobicContact CG2-CG2 3.55Å; I83-V101 WeakPolarHBondContact O-CG2 3.25Å; I83-V101 PolarHBondContact O-N 3.05Å; D85-V101 HydrophobicContact CB-CG1 4.06Å; C99-V101 PolarHBondContact O-N 2.88Å; V101-I123 CarbonylContact O-C 3.59Å; V101-A124 PolarHBondContact O-N 2.98Å; V101-E125 HydrophobicContact CB-CB 4.48Å; V101-E125 HydrophobicContact CB-CG 4.31Å; V101-E125 HydrophobicContact CG1-CG 4.4Å; V101-E125 PolarHBondContact O-N 2.91Å; V101-Y128 HydrophobicContact CB-CD1 4.47Å; V101-Y128 HydrophobicContact CB-CD2 4.34Å; V101-Y128 HydrophobicContact CB-CG 4.19Å; V101-Y128 HydrophobicContact CG1-CD1 3.82Å; V101-Y128 HydrophobicContact CG1-CD2 3.77Å; V101-Y128 HydrophobicContact CG1-CE1 3.76Å; V101-Y128 HydrophobicContact CG1-CE2 3.69Å; V101-Y128 HydrophobicContact CG1-CG 3.8Å; V101-L133 HydrophobicContact CG2-CD1 4.35Å
102G98.4Very high94.7Very high0 Ų039.8 Ų39.80%023%0.233CC..EExtended strand (participates in β ladder)trans169.4-161.3176.500000112.6I83 M122I83-G102 PolarHBondContact N-O 2.98Å; I83-G102 PolarHBondContact O-N 2.89Å; G102-M122 CarbonylContact C-O 3.57Å; G102-M122 WeakPolarHBondContact CA-O 3.3Å
103D98.3Very high94.8Very high4 Ų439.7 Ų39.72%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-146164.2177.767.5-78000111.6Y42 F81 I82 I83 N105 M122Y42-D103 HydrophobicContact CE2-CB 4.18Å; F81-D103 CarbonylContact O-C 3.54Å; F81-D103 VanDerWaalsContact O-CA 3.28Å; F81-D103 WeakPolarHBondContact O-CA 3.28Å; F81-D103 WeakPolarHBondContact O-CB 3.43Å; I82-D103 HydrophobicContact CD1-CB 4.02Å; I83-D103 WeakPolarHBondContact CD1-O 3.4Å; D103-N105 PolarHBondContact OD2-ND2 3.44Å; D103-M122 PolarHBondContact N-O 3.11Å; D103-M122 PolarHBondContact O-N 2.96Å; D103-M122 WeakPolarHBondContact OD1-CE 3.47Å
104V98.4Very high94.7Very high0 Ų040.6 Ų40.60%023%0.233CC..EExtended strand (participates in β ladder)trans-141.9136.1174.563.70000109.7L31 F81 L119 E120 I121 V137 M141L31-V104 HydrophobicContact CD1-CG1 4.23Å; L31-V104 HydrophobicContact CD2-CG1 4.32Å; F81-V104 HydrophobicContact CB-CG1 3.91Å; F81-V104 PolarHBondContact N-O 3.37Å; F81-V104 PolarHBondContact O-N 2.57Å; V104-L119 HydrophobicContact CG2-CD1 3.81Å; V104-E120 CarbonylContact C-O 3.27Å; V104-E120 WeakPolarHBondContact CA-O 3.46Å; V104-E120 VanDerWaalsContact CG2-O 3.27Å; V104-E120 WeakPolarHBondContact CG2-O 3.37Å; V104-I121 HydrophobicContact CB-CG1 4.45Å; V104-I121 HydrophobicContact CG2-CB 4.24Å; V104-I121 HydrophobicContact CG2-CG1 4.48Å; V104-V137 HydrophobicContact CB-CG1 3.65Å; V104-V137 HydrophobicContact CG1-CG1 3.69Å; V104-V137 HydrophobicContact CG2-CG1 3.89Å; V104-M141 HydrophobicContact CG1-CG 4.43Å; V104-M141 HydrophobicContact CG1-SD 4.1Å; V104-M141 HydrophobicContact CG2-CB 3.78Å; V104-M141 HydrophobicContact CG2-CG 3.66Å; V104-M141 HydrophobicContact CG2-SD 4.37Å
105N97.4Very high94.7Very high2 Ų240.6 Ų40.61%0.01123%0.234CC..EExtended strand (participates in β ladder)trans-127.9142.1-174.1-52.3-75.9000111C79 T80 D103 F107 L119 E120C79-N105 WeakPolarHBondContact O-CA 3.35Å; T80-N105 VanDerWaalsContact CB-OD1 3.26Å; T80-N105 WeakPolarHBondContact CB-OD1 3.12Å; T80-N105 WeakPolarHBondContact CG2-OD1 3.45Å; T80-N105 PolarHBondContact OG1-OD1 3.28Å; D103-N105 PolarHBondContact OD2-ND2 3.44Å; N105-F107 HydrophobicContact CB-CD2 4.29Å; N105-F107 HydrophobicContact CB-CE1 3.9Å; N105-F107 HydrophobicContact CB-CE2 3.57Å; N105-F107 HydrophobicContact CB-CZ 3.35Å; N105-L119 WeakPolarHBondContact O-CA 3.45Å; N105-L119 WeakPolarHBondContact O-CD1 3.37Å; N105-E120 HydrophobicContact CB-CB 4.34Å; N105-E120 PolarHBondContact N-O 3.21Å; N105-E120 PolarHBondContact O-N 2.94Å
106I96.7Very high94.8Very high0 Ų037 Ų370%022%0.218CC..EExtended strand (participates in β ladder)trans-113.8128.8160.3-78.7-178.9000107.8K78 C79 A117 E118 L119 M141 L149 F154K78-I106 CarbonylContact C-O 3.57Å; K78-I106 WeakPolarHBondContact CA-O 3.4Å; C79-I106 HydrophobicContact CB-CB 4.29Å; C79-I106 PolarHBondContact N-O 2.84Å; C79-I106 PolarHBondContact O-N 2.9Å; I106-A117 HydrophobicContact CG2-CB 3.68Å; I106-E118 CarbonylContact C-O 3.57Å; I106-E118 VanDerWaalsContact CA-O 3.28Å; I106-E118 WeakPolarHBondContact CA-O 3.19Å; I106-L119 HydrophobicContact CG1-CD1 4.07Å; I106-M141 HydrophobicContact CB-CE 3.85Å; I106-M141 HydrophobicContact CD1-CE 3.71Å; I106-M141 HydrophobicContact CD1-CG 3.83Å; I106-M141 HydrophobicContact CD1-SD 4.34Å; I106-M141 HydrophobicContact CG1-CE 3.52Å; I106-M141 HydrophobicContact CG1-CG 3.9Å; I106-L149 HydrophobicContact CB-CD1 4.43Å; I106-L149 HydrophobicContact CD1-CD1 4.02Å; I106-L149 HydrophobicContact CG2-CD1 3.96Å; I106-F154 HydrophobicContact CD1-CE1 3.94Å
107F95.1Very high94.8Very high29 Ų2936.3 Ų36.313%0.12722%0.215CC..EExtended strand (participates in β ladder)trans-119.4127.6175.1-54.6-59.7000110.6D77 K78 N105 T109 A117 E118 E120D77-F107 CarbonylContact O-C 3.51Å; D77-F107 WeakPolarHBondContact O-CA 3.41Å; K78-F107 HydrophobicContact CB-CD1 4.04Å; K78-F107 HydrophobicContact CB-CE1 4.18Å; K78-F107 HydrophobicContact CD-CD1 4.03Å; K78-F107 HydrophobicContact CD-CE1 3.9Å; K78-F107 HydrophobicContact CG-CD1 3.76Å; K78-F107 HydrophobicContact CG-CE1 4.04Å; N105-F107 HydrophobicContact CB-CD2 4.29Å; N105-F107 HydrophobicContact CB-CE1 3.9Å; N105-F107 HydrophobicContact CB-CE2 3.57Å; N105-F107 HydrophobicContact CB-CZ 3.35Å; F107-T109 HydrophobicContact CB-CG2 4.39Å; F107-T109 PolarHBondContact O-N 3.18Å; F107-A117 CarbonylContact O-C 3.59Å; F107-A117 WeakPolarHBondContact O-CA 3.48Å; F107-A117 WeakPolarHBondContact O-CB 3.41Å; F107-E118 HydrophobicContact CB-CB 4.32Å; F107-E118 HydrophobicContact CD2-CG 4.42Å; F107-E118 PolarHBondContact N-O 3.47Å; F107-E118 PolarHBondContact O-N 2.86Å; F107-E120 HydrophobicContact CD2-CG 4.46Å; F107-E120 HydrophobicContact CE2-CB 4.38Å; F107-E120 VanDerWaalsContact CE2-CD 3.49Å; F107-E120 HydrophobicContact CE2-CG 4.15Å; F107-E120 WeakPolarHBondContact CE2-OE1 3.45Å
108L93.1Very high94.9Very high35 Ų3534.5 Ų34.518%0.18321%0.206CC..  trans-82.3103172.3-52.2-177.6000108.6M16 D77 A117 I151M16-L108 HydrophobicContact CE-CD1 3.79Å; M16-L108 HydrophobicContact CE-CG 3.84Å; M16-L108 HydrophobicContact SD-CD1 4.17Å; D77-L108 HydrophobicContact CB-CB 4.01Å; D77-L108 PolarHBondContact O-N 3.1Å; L108-A117 HydrophobicContact CD2-CB 3.92Å; L108-I151 HydrophobicContact CD2-CD1 3.61Å
109T89Confident95Very high61 Ų6129.6 Ų29.637%0.37418%0.183SC..  trans-90.4-17.1-169.952.90000114F107 E118F107-T109 HydrophobicContact CB-CG2 4.39Å; F107-T109 PolarHBondContact O-N 3.18Å; T109-E118 HydrophobicContact CG2-CB 3.68Å; T109-E118 WeakPolarHBondContact CG2-OE2 3.3Å
110D89.3Confident94.9Very high57 Ų5732.9 Ų32.931%0.30520%0.198SC..  trans-121105.4179.3-171.7-14.9000110.7S112 D113 L116D110-S112 VanDerWaalsContact CG-OG 3.3Å; D110-S112 PolarHBondContact O-N 3.36Å; D110-S112 WeakPolarHBondContact OD1-CA 3.42Å; D110-S112 VanDerWaalsContact OD1-CB 3.32Å; D110-S112 WeakPolarHBondContact OD1-CB 3.41Å; D110-S112 PolarHBondContact OD1-N 3.4Å; D110-S112 PolarHBondContact OD1-OG 2.81Å; D110-S112 PolarHBondContact OD2-OG 3.01Å; D110-D113 HydrophobicContact CB-CB 4.32Å; D110-D113 CarbonylContact O-C 3.59Å; D110-D113 VanDerWaalsContact O-C 3.27Å; D110-D113 PolarHBondContact O-N 2.94Å; D110-L116 HydrophobicContact CB-CD2 4.26Å
111P86.1Confident94.9Very high137 Ų13734 Ų3489%0.8920%0.204SC*.THydrogen-bonded Turntrans-59.6-17.7176.8-24.334.1000114.2
112S91.6Very high94.8Very high106 Ų10634.6 Ų34.674%0.74121%0.207SC*.THydrogen-bonded Turntrans-91.1-15.8176.877.30000113.9D110D110-S112 VanDerWaalsContact CG-OG 3.3Å; D110-S112 PolarHBondContact O-N 3.36Å; D110-S112 WeakPolarHBondContact OD1-CA 3.42Å; D110-S112 VanDerWaalsContact OD1-CB 3.32Å; D110-S112 WeakPolarHBondContact OD1-CB 3.41Å; D110-S112 PolarHBondContact OD1-N 3.4Å; D110-S112 PolarHBondContact OD1-OG 2.81Å; D110-S112 PolarHBondContact OD2-OG 3.01Å
113D92.3Very high94.7Very high36 Ų3635.9 Ų35.919%0.19321%0.214CC..  trans-133.882.9176.8-172.40.5000110.8D110 S115 L116 K153D110-D113 HydrophobicContact CB-CB 4.32Å; D110-D113 CarbonylContact O-C 3.59Å; D110-D113 VanDerWaalsContact O-C 3.27Å; D110-D113 PolarHBondContact O-N 2.94Å; D113-S115 PolarHBondContact O-N 3.01Å; D113-S115 WeakPolarHBondContact OD1-CA 3.31Å; D113-S115 WeakPolarHBondContact OD1-CB 3.4Å; D113-S115 PolarHBondContact OD1-N 2.85Å; D113-S115 PolarHBondContact OD1-OG 3.49Å; D113-L116 HydrophobicContact CB-CB 4.39Å; D113-L116 PolarHBondContact O-N 2.81Å; D113-K153 IonicContact OD2-NZ 2.74Å; D113-K153 PolarHBondContact OD2-NZ 3.22Å
114S90.8Very high94.7Very high89 Ų8935.8 Ų35.862%0.62221%0.214SC*.THydrogen-bonded Turntrans-65.5-1.5175.261.40000114.4I151S114-I151 WeakPolarHBondContact O-CD1 3.35Å
115S93.9Very high94.6Very high24 Ų2437.3 Ų37.317%0.16822%0.221CC..THydrogen-bonded Turntrans-92.7-5.1173.183.20000113.3D113 I151 R152 K153D113-S115 PolarHBondContact O-N 3.01Å; D113-S115 WeakPolarHBondContact OD1-CA 3.31Å; D113-S115 WeakPolarHBondContact OD1-CB 3.4Å; D113-S115 PolarHBondContact OD1-N 2.85Å; D113-S115 PolarHBondContact OD1-OG 3.49Å; S115-I151 WeakPolarHBondContact O-CG2 3.4Å; S115-R152 PolarHBondContact O-N 3.17Å; S115-K153 PolarHBondContact O-N 3.21Å
116L96.2Very high94.5Very high21 Ų2141.1 Ų41.111%0.1125%0.246CC..EExtended strand (participates in β ladder)trans-99.5131.2172.2176.563.9000109.8D110 D113 K153 E155D110-L116 HydrophobicContact CB-CD2 4.26Å; D113-L116 HydrophobicContact CB-CB 4.39Å; D113-L116 PolarHBondContact O-N 2.81Å; L116-K153 WeakPolarHBondContact CA-O 3.41Å; L116-K153 HydrophobicContact CB-CB 4.44Å; L116-K153 HydrophobicContact CD1-CB 3.58Å; L116-K153 HydrophobicContact CD1-CD 4.35Å; L116-E155 HydrophobicContact CD1-CG 3.94Å
117A97.1Very high94.5Very high0 Ų044.5 Ų44.50%027%0.269CS..EExtended strand (participates in β ladder)trans-143.1147.9173.100000113.2I106 F107 L108 I151 K153 F154 E155I106-A117 HydrophobicContact CG2-CB 3.68Å; F107-A117 CarbonylContact O-C 3.59Å; F107-A117 WeakPolarHBondContact O-CA 3.48Å; F107-A117 WeakPolarHBondContact O-CB 3.41Å; L108-A117 HydrophobicContact CD2-CB 3.92Å; A117-I151 HydrophobicContact CB-CD1 3.86Å; A117-I151 HydrophobicContact CB-CG1 4.08Å; A117-I151 HydrophobicContact CB-CG2 3.99Å; A117-K153 PolarHBondContact N-O 3.28Å; A117-F154 CarbonylContact O-C 3.55Å; A117-F154 VanDerWaalsContact O-CA 3.28Å; A117-F154 WeakPolarHBondContact O-CA 3.33Å; A117-E155 PolarHBondContact O-N 3.32Å
118E97.8Very high94.6Very high14 Ų1444.9 Ų44.97%0.06527%0.27CS..EExtended strand (participates in β ladder)trans-84133.9167.5176.3159.6-144.100109.9I106 F107 T109 E120 E155 K157I106-E118 CarbonylContact C-O 3.57Å; I106-E118 VanDerWaalsContact CA-O 3.28Å; I106-E118 WeakPolarHBondContact CA-O 3.19Å; F107-E118 HydrophobicContact CB-CB 4.32Å; F107-E118 HydrophobicContact CD2-CG 4.42Å; F107-E118 PolarHBondContact N-O 3.47Å; F107-E118 PolarHBondContact O-N 2.86Å; T109-E118 HydrophobicContact CG2-CB 3.68Å; T109-E118 WeakPolarHBondContact CG2-OE2 3.3Å; E118-E120 HydrophobicContact CG-CG 4.22Å; E118-E155 CarbonylContact C-O 3.59Å; E118-E155 WeakPolarHBondContact CA-O 3.2Å; E118-K157 VanDerWaalsContact CD-NZ 3.31Å; E118-K157 WeakPolarHBondContact OE1-CB 3.27Å; E118-K157 WeakPolarHBondContact OE1-CD 3.36Å; E118-K157 WeakPolarHBondContact OE1-CG 2.97Å; E118-K157 IonicContact OE1-NZ 2.62Å; E118-K157 PolarHBondContact OE1-NZ 2.8Å; E118-K157 VanDerWaalsContact OE1-NZ 3.16Å; E118-K157 IonicContact OE2-NZ 3.78Å; E118-K157 PolarHBondContact OE2-NZ 2.92Å
119L97.9Very high94.7Very high1 Ų146.8 Ų46.81%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-115.3116.6178.9173.460.8000109.5V104 N105 I106 T138 M141 I142 F154 E155 F169V104-L119 HydrophobicContact CG2-CD1 3.81Å; N105-L119 WeakPolarHBondContact O-CA 3.45Å; N105-L119 WeakPolarHBondContact O-CD1 3.37Å; I106-L119 HydrophobicContact CG1-CD1 4.07Å; L119-T138 HydrophobicContact CD2-CG2 4.13Å; L119-M141 HydrophobicContact CD1-CB 3.98Å; L119-M141 HydrophobicContact CD1-CG 3.6Å; L119-I142 HydrophobicContact CD2-CD1 4.2Å; L119-I142 HydrophobicContact CD2-CG1 3.68Å; L119-F154 HydrophobicContact CB-CD1 4.13Å; L119-F154 HydrophobicContact CD2-CD1 4.34Å; L119-E155 PolarHBondContact N-O 2.88Å; L119-F169 HydrophobicContact CD2-CE1 4.11Å; L119-F169 HydrophobicContact CG-CE1 4.37Å; L119-F169 HydrophobicContact CG-CZ 4.41Å
120E96.9Very high94.9Very high69 Ų6948.1 Ų48.132%0.32230%0.301SS..EExtended strand (participates in β ladder)trans-116.4146.8177.1-68.6-179.1-153.400111V104 N105 F107 E118V104-E120 CarbonylContact C-O 3.27Å; V104-E120 WeakPolarHBondContact CA-O 3.46Å; V104-E120 VanDerWaalsContact CG2-O 3.27Å; V104-E120 WeakPolarHBondContact CG2-O 3.37Å; N105-E120 HydrophobicContact CB-CB 4.34Å; N105-E120 PolarHBondContact N-O 3.21Å; N105-E120 PolarHBondContact O-N 2.94Å; F107-E120 HydrophobicContact CD2-CG 4.46Å; F107-E120 HydrophobicContact CE2-CB 4.38Å; F107-E120 VanDerWaalsContact CE2-CD 3.49Å; F107-E120 HydrophobicContact CE2-CG 4.15Å; F107-E120 WeakPolarHBondContact CE2-OE1 3.45Å; E118-E120 HydrophobicContact CG-CG 4.22Å
121I97.1Very high95.1Very high29 Ų2952 Ų5215%0.14932%0.315CS..EExtended strand (participates in β ladder)trans-147.5132.6179.3-176.6173.6000110.5I83 V104 G134 V137 M168 F169I83-I121 HydrophobicContact CD1-CG1 4.31Å; V104-I121 HydrophobicContact CB-CG1 4.45Å; V104-I121 HydrophobicContact CG2-CB 4.24Å; V104-I121 HydrophobicContact CG2-CG1 4.48Å; I121-G134 WeakPolarHBondContact CD1-O 3.36Å; I121-V137 HydrophobicContact CD1-CB 3.59Å; I121-V137 HydrophobicContact CD1-CG1 3.55Å; I121-V137 HydrophobicContact CG1-CG1 4.28Å; I121-M168 HydrophobicContact CG2-CE 3.83Å; I121-F169 HydrophobicContact CG2-CE2 4.2Å; I121-F169 HydrophobicContact CG2-CZ 4.28Å
122M96.8Very high95.6Very high12 Ų1247 Ų476%0.05929%0.289CS..EExtended strand (participates in β ladder)trans-123.7130.6172.6-178.1179.857.700110Y42 W45 M46 L51 T55 G102 D103 A124Y42-M122 HydrophobicContact CE2-CE 4.25Å; W45-M122 HydrophobicContact CE3-CE 4.12Å; M46-M122 HydrophobicContact CE-CE 3.58Å; M46-M122 HydrophobicContact CE-SD 3.72Å; L51-M122 HydrophobicContact CB-SD 4.44Å; L51-M122 HydrophobicContact CD1-SD 4.3Å; L51-M122 HydrophobicContact CD2-CG 4.32Å; L51-M122 HydrophobicContact CD2-SD 3.86Å; L51-M122 HydrophobicContact CG-SD 4.44Å; T55-M122 HydrophobicContact CG2-CB 4.44Å; T55-M122 HydrophobicContact CG2-CG 4.24Å; T55-M122 HydrophobicContact CG2-SD 3.69Å; G102-M122 CarbonylContact C-O 3.57Å; G102-M122 WeakPolarHBondContact CA-O 3.3Å; D103-M122 PolarHBondContact N-O 3.11Å; D103-M122 PolarHBondContact O-N 2.96Å; D103-M122 WeakPolarHBondContact OD1-CE 3.47Å; M122-A124 HydrophobicContact CE-CB 3.93Å; M122-A124 HydrophobicContact CG-CB 4.35Å; M122-A124 HydrophobicContact SD-CB 4.19Å
123I97.9Very high95.9Very high27 Ų2742.6 Ų42.614%0.13826%0.256CS..EExtended strand (participates in β ladder)trans-104.492.4162-55.2-61.3000106.8I83 V101 R129 L133I83-I123 HydrophobicContact CD1-CD1 3.77Å; V101-I123 CarbonylContact O-C 3.59Å; I123-R129 HydrophobicContact CB-CG 4.33Å; I123-R129 HydrophobicContact CG2-CG 4.01Å; I123-R129 PolarHBondContact O-NE 2.82Å; I123-L133 HydrophobicContact CD1-CB 4.11Å
124A97.1Very high96.1Very high3 Ų341.4 Ų41.43%0.02525%0.253CS..  trans-64.8-45.1-171.800000111.4W45 L51 V101 M122 P126 R129W45-A124 HydrophobicContact CB-CB 4.25Å; W45-A124 HydrophobicContact CD2-CB 3.32Å; W45-A124 VanDerWaalsContact CE2-CB 3.47Å; W45-A124 HydrophobicContact CE3-CB 3.61Å; W45-A124 HydrophobicContact CG-CB 3.64Å; W45-A124 HydrophobicContact CH2-CB 4.09Å; W45-A124 HydrophobicContact CZ2-CB 3.87Å; W45-A124 HydrophobicContact CZ3-CB 3.99Å; L51-A124 HydrophobicContact CD1-CB 4.04Å; V101-A124 PolarHBondContact O-N 2.98Å; M122-A124 HydrophobicContact CE-CB 3.93Å; M122-A124 HydrophobicContact CG-CB 4.35Å; M122-A124 HydrophobicContact SD-CB 4.19Å; A124-P126 VanDerWaalsContact O-CD 3.27Å; A124-P126 WeakPolarHBondContact O-CD 3.45Å; A124-R129 PolarHBondContact O-NH2 3.13Å
125E96.9Very high96.3Very high32 Ų3240.9 Ų40.915%0.1524%0.239CC..  trans-74.2114.7-175.3-66.7-64.9152.300112.5R41 W45 V101 S127 Y128R41-E125 IonicContact CZ-OE1 2.6Å; R41-E125 IonicContact NE-OE1 3.86Å; R41-E125 IonicContact NH2-OE1 3.16Å; R41-E125 PolarHBondContact NH2-OE1 3.02Å; R41-E125 IonicContact NH2-OE2 3.57Å; W45-E125 HydrophobicContact CZ2-CG 4.25Å; W45-E125 PolarHBondContact NE1-OE1 2.87Å; V101-E125 HydrophobicContact CB-CB 4.48Å; V101-E125 HydrophobicContact CB-CG 4.31Å; V101-E125 HydrophobicContact CG1-CG 4.4Å; V101-E125 PolarHBondContact O-N 2.91Å; E125-S127 PolarHBondContact O-N 2.88Å; E125-S127 VanDerWaalsContact O-N 3.16Å; E125-Y128 HydrophobicContact CB-CD2 3.47Å; E125-Y128 VanDerWaalsContact CB-CD2 3.47Å; E125-Y128 HydrophobicContact CB-CE2 4.15Å; E125-Y128 HydrophobicContact CB-CG 4.34Å; E125-Y128 HydrophobicContact CG-CD2 4.23Å; E125-Y128 HydrophobicContact CG-CE2 4.49Å; E125-Y128 PolarHBondContact O-N 2.81Å
126P94.8Very high96.4Very high82 Ų8241.3 Ų41.353%0.53224%0.239SC..G310 helixtrans-58.3-34.7-176.8-26.135.4000113.4A124 Y128 R129A124-P126 VanDerWaalsContact O-CD 3.27Å; A124-P126 WeakPolarHBondContact O-CD 3.45Å; P126-Y128 PolarHBondContact O-N 3.32Å; P126-Y128 VanDerWaalsContact O-N 3.13Å; P126-R129 PolarHBondContact O-N 2.62Å; P126-R129 VanDerWaalsContact O-N 3.17Å
127S96.4Very high96.5Very high71 Ų7140.3 Ų40.350%0.49723%0.233SC..G310 helixtrans-66.3-11.4178.963.40000113.6E125 K131E125-S127 PolarHBondContact O-N 2.88Å; E125-S127 VanDerWaalsContact O-N 3.16Å; S127-K131 WeakPolarHBondContact O-CE 3.4Å; S127-K131 PolarHBondContact O-NZ 3.29Å
128Y96.8Very high96.5Very high36 Ų3640.3 Ų40.314%0.14123%0.233CC..G310 helixtrans-106.5-10.2177-67.8-95.6000113.6D85 V101 E125 P126 L133D85-Y128 HydrophobicContact CB-CE1 3.89Å; D85-Y128 VanDerWaalsContact OD2-CE1 3.26Å; D85-Y128 WeakPolarHBondContact OD2-CE1 3.26Å; D85-Y128 PolarHBondContact OD2-OH 2.99Å; V101-Y128 HydrophobicContact CB-CD1 4.47Å; V101-Y128 HydrophobicContact CB-CD2 4.34Å; V101-Y128 HydrophobicContact CB-CG 4.19Å; V101-Y128 HydrophobicContact CG1-CD1 3.82Å; V101-Y128 HydrophobicContact CG1-CD2 3.77Å; V101-Y128 HydrophobicContact CG1-CE1 3.76Å; V101-Y128 HydrophobicContact CG1-CE2 3.69Å; V101-Y128 HydrophobicContact CG1-CG 3.8Å; E125-Y128 HydrophobicContact CB-CD2 3.47Å; E125-Y128 VanDerWaalsContact CB-CD2 3.47Å; E125-Y128 HydrophobicContact CB-CE2 4.15Å; E125-Y128 HydrophobicContact CB-CG 4.34Å; E125-Y128 HydrophobicContact CG-CD2 4.23Å; E125-Y128 HydrophobicContact CG-CE2 4.49Å; E125-Y128 PolarHBondContact O-N 2.81Å; P126-Y128 PolarHBondContact O-N 3.32Å; P126-Y128 VanDerWaalsContact O-N 3.13Å; Y128-L133 HydrophobicContact CD1-CD1 3.88Å; Y128-L133 HydrophobicContact CG-CD1 4.38Å
129R95Very high96.3Very high75 Ų7542.8 Ų42.828%0.28324%0.242SC..THydrogen-bonded Turntrans-67.1152.1175.7-60-179.2-167.2160.59.2110.6E50 L51 I123 A124 P126 K131E50-R129 VanDerWaalsContact CD-NH1 3.28Å; E50-R129 IonicContact OE1-NH1 2.77Å; E50-R129 PolarHBondContact OE1-NH1 3.04Å; E50-R129 IonicContact OE2-CZ 2.7Å; E50-R129 IonicContact OE2-NH1 2.69Å; E50-R129 PolarHBondContact OE2-NH1 3.31Å; E50-R129 IonicContact OE2-NH2 3.01Å; L51-R129 VanDerWaalsContact CD2-NH2 3.32Å; I123-R129 HydrophobicContact CB-CG 4.33Å; I123-R129 HydrophobicContact CG2-CG 4.01Å; I123-R129 PolarHBondContact O-NE 2.82Å; A124-R129 PolarHBondContact O-NH2 3.13Å; P126-R129 PolarHBondContact O-N 2.62Å; P126-R129 VanDerWaalsContact O-N 3.17Å; R129-K131 PolarHBondContact O-N 2.96Å; R129-K131 VanDerWaalsContact O-N 3.1Å
130G93.3Very high96.3Very high90 Ų9042.8 Ų42.893%0.92824%0.242SC*.THydrogen-bonded Turntrans72-3.5179.800000116
131K95.3Very high96.3Very high138 Ų13839.5 Ų39.560%0.623%0.227SC*.SBendtrans-88.62.7179.3-63.2-176.8177.3168.60114.7S127 R129S127-K131 WeakPolarHBondContact O-CE 3.4Å; S127-K131 PolarHBondContact O-NZ 3.29Å; R129-K131 PolarHBondContact O-N 2.96Å; R129-K131 VanDerWaalsContact O-N 3.1Å
132G95.8Very high96.2Very high32 Ų3238.1 Ų38.133%0.3322%0.22SC..SBendtrans88.40179.700000115.4G134 K135 E136G132-G134 VanDerWaalsContact C-N 3.34Å; G132-G134 PolarHBondContact O-N 2.91Å; G132-K135 WeakPolarHBondContact O-CB 3.27Å; G132-K135 PolarHBondContact O-N 2.69Å; G132-K135 VanDerWaalsContact O-N 3.09Å; G132-E136 PolarHBondContact O-N 3.16Å
133L97.4Very high96.1Very high13 Ų1337.5 Ų37.57%0.06822%0.217CC..Hα-helixtrans-58.2-43.5-179.5-58.5-161.8000112.8V29 V101 I123 Y128 K135 E136 V137V29-L133 HydrophobicContact CG1-CB 4.28Å; V29-L133 HydrophobicContact CG1-CD1 3.95Å; V29-L133 HydrophobicContact CG1-CD2 3.88Å; V29-L133 HydrophobicContact CG1-CG 4.26Å; V101-L133 HydrophobicContact CG2-CD1 4.35Å; I123-L133 HydrophobicContact CD1-CB 4.11Å; Y128-L133 HydrophobicContact CD1-CD1 3.88Å; Y128-L133 HydrophobicContact CG-CD1 4.38Å; L133-K135 PolarHBondContact O-N 2.94Å; L133-E136 WeakPolarHBondContact O-CB 3.42Å; L133-E136 PolarHBondContact O-N 3.06Å; L133-V137 WeakPolarHBondContact O-CG2 3.32Å; L133-V137 PolarHBondContact O-N 3.01Å
134G96.8Very high95.9Very high11 Ų1136.3 Ų36.311%0.11321%0.21CC..Hα-helixtrans-55.3-39.4177.100000112.8I121 G132 T138 M168I121-G134 WeakPolarHBondContact CD1-O 3.36Å; G132-G134 VanDerWaalsContact C-N 3.34Å; G132-G134 PolarHBondContact O-N 2.91Å; G134-T138 VanDerWaalsContact O-CB 3.28Å; G134-T138 WeakPolarHBondContact O-CB 3.42Å; G134-T138 PolarHBondContact O-N 2.91Å; G134-T138 PolarHBondContact O-OG1 2.79Å; G134-M168 VanDerWaalsContact C-SD 3.5Å
135K95.4Very high95.8Very high79 Ų7936.2 Ų36.234%0.34321%0.209SC..Hα-helixtrans-68.3-42176.4-65.9173.1-176.6162.20112G132 L133 R139 M168 F172G132-K135 WeakPolarHBondContact O-CB 3.27Å; G132-K135 PolarHBondContact O-N 2.69Å; G132-K135 VanDerWaalsContact O-N 3.09Å; L133-K135 PolarHBondContact O-N 2.94Å; K135-R139 WeakPolarHBondContact O-CB 3.17Å; K135-R139 PolarHBondContact O-N 3.25Å; K135-R139 VanDerWaalsContact O-N 3.08Å; K135-M168 HydrophobicContact CG-CG 3.87Å; K135-M168 HydrophobicContact CG-SD 4.16Å; K135-F172 HydrophobicContact CB-CE2 4.04Å; K135-F172 HydrophobicContact CB-CZ 3.96Å; K135-F172 HydrophobicContact CG-CE2 4.06Å; K135-F172 HydrophobicContact CG-CZ 4.41Å; K135-F172 WeakPolarHBondContact O-CZ 3.33Å
136E96.3Very high95.6Very high32 Ų3235.2 Ų35.215%0.1521%0.206CC..Hα-helixtrans-60.5-51.3178.2-172176.8161.500110.6K27 S28 V29 G132 L133 R139 M140K27-E136 WeakPolarHBondContact CA-OE1 3.28Å; K27-E136 PolarHBondContact N-OE1 3.16Å; S28-E136 VanDerWaalsContact CB-OE2 3.29Å; S28-E136 WeakPolarHBondContact CB-OE2 3.41Å; S28-E136 PolarHBondContact N-OE1 3.01Å; S28-E136 PolarHBondContact N-OE2 2.87Å; S28-E136 PolarHBondContact OG-OE2 2.92Å; V29-E136 HydrophobicContact CG2-CG 4.19Å; G132-E136 PolarHBondContact O-N 3.16Å; L133-E136 WeakPolarHBondContact O-CB 3.42Å; L133-E136 PolarHBondContact O-N 3.06Å; E136-R139 WeakPolarHBondContact O-CB 3.48Å; E136-R139 PolarHBondContact O-N 2.82Å; E136-M140 HydrophobicContact CG-SD 4.08Å; E136-M140 VanDerWaalsContact O-CG 3.31Å; E136-M140 WeakPolarHBondContact O-CG 3.33Å; E136-M140 PolarHBondContact O-N 3.36Å
137V97.8Very high95.4Very high0 Ų034.1 Ų34.10%020%0.198CC..Hα-helixtrans-65.1-45.2-179.6175.40000112V29 L31 I83 V104 I121 L133 R139 M140 M141V29-V137 HydrophobicContact CB-CG2 4.36Å; V29-V137 HydrophobicContact CG1-CG2 4.28Å; V29-V137 HydrophobicContact CG2-CG2 3.74Å; L31-V137 HydrophobicContact CD1-CG1 4.43Å; L31-V137 HydrophobicContact CD2-CG1 4.09Å; L31-V137 HydrophobicContact CD2-CG2 4.14Å; I83-V137 HydrophobicContact CD1-CB 4.37Å; I83-V137 HydrophobicContact CD1-CG1 3.84Å; I83-V137 HydrophobicContact CD1-CG2 3.99Å; I83-V137 HydrophobicContact CG1-CG1 4.09Å; I83-V137 HydrophobicContact CG1-CG2 4.15Å; I83-V137 HydrophobicContact CG2-CG2 3.86Å; V104-V137 HydrophobicContact CB-CG1 3.65Å; V104-V137 HydrophobicContact CG1-CG1 3.69Å; V104-V137 HydrophobicContact CG2-CG1 3.89Å; I121-V137 HydrophobicContact CD1-CB 3.59Å; I121-V137 HydrophobicContact CD1-CG1 3.55Å; I121-V137 HydrophobicContact CG1-CG1 4.28Å; L133-V137 WeakPolarHBondContact O-CG2 3.32Å; L133-V137 PolarHBondContact O-N 3.01Å; V137-R139 VanDerWaalsContact C-N 3.27Å; V137-R139 PolarHBondContact O-N 3.07Å; V137-M140 PolarHBondContact O-N 2.74Å; V137-M140 VanDerWaalsContact O-N 3.16Å; V137-M141 WeakPolarHBondContact O-CB 3.21Å; V137-M141 PolarHBondContact O-N 3.3Å
138T96.4Very high95.3Very high0 Ų034.8 Ų34.80%019%0.191CC..Hα-helixtrans-56.7-43174.9-64.80000111.1L119 G134 I142 F169 F172L119-T138 HydrophobicContact CD2-CG2 4.13Å; G134-T138 VanDerWaalsContact O-CB 3.28Å; G134-T138 WeakPolarHBondContact O-CB 3.42Å; G134-T138 PolarHBondContact O-N 2.91Å; G134-T138 PolarHBondContact O-OG1 2.79Å; T138-I142 HydrophobicContact CG2-CD1 3.73Å; T138-I142 HydrophobicContact CG2-CG1 4.45Å; T138-I142 WeakPolarHBondContact O-CB 3.38Å; T138-I142 WeakPolarHBondContact O-CD1 3.22Å; T138-I142 VanDerWaalsContact O-CG1 3.24Å; T138-I142 WeakPolarHBondContact O-CG1 3.49Å; T138-I142 PolarHBondContact O-N 3.42Å; T138-F169 HydrophobicContact CG2-CE1 4.31Å; T138-F172 HydrophobicContact CG2-CD1 4.48Å; T138-F172 HydrophobicContact CG2-CD2 3.81Å; T138-F172 HydrophobicContact CG2-CE2 3.85Å; T138-F172 HydrophobicContact CG2-CG 4.15Å; T138-F172 HydrophobicContact CG2-CZ 4.24Å
139R94.8Very high95Very high67 Ų6734.5 Ų34.525%0.25319%0.192SC..Hα-helixtrans-63.2-47.7176.5-173.5-175.7175.2-161.9-5.3111.2K135 E136 V137 M141 I142 C143 F172 L200 D203 F206K135-R139 WeakPolarHBondContact O-CB 3.17Å; K135-R139 PolarHBondContact O-N 3.25Å; K135-R139 VanDerWaalsContact O-N 3.08Å; E136-R139 WeakPolarHBondContact O-CB 3.48Å; E136-R139 PolarHBondContact O-N 2.82Å; V137-R139 VanDerWaalsContact C-N 3.27Å; V137-R139 PolarHBondContact O-N 3.07Å; R139-M141 PolarHBondContact O-N 3.41Å; R139-I142 PolarHBondContact O-N 2.94Å; R139-C143 PolarHBondContact O-N 3.12Å; R139-C143 PolarHBondContact O-SG 3.22Å; R139-F172 HydrophobicContact CB-CE1 4.01Å; R139-F172 HydrophobicContact CB-CZ 4.35Å; R139-L200 HydrophobicContact CG-CD2 4.45Å; R139-L200 PolarHBondContact NH2-O 3.2Å; R139-D203 PolarHBondContact NH2-O 3.15Å; R139-D203 VanDerWaalsContact NH2-O 3.17Å; R139-F206 HydrophobicContact CB-CE2 4.38Å; R139-F206 HydrophobicContact CG-CE2 3.82Å; R139-F206 HydrophobicContact CG-CZ 3.8Å
140M96.6Very high94.9Very high0 Ų032.9 Ų32.90%020%0.199CC..Hα-helixtrans-57.7-48.2178.6-69.9168.970.400111.2L24 V29 L31 E136 V137 C143 Y144 F206 M207L24-M140 HydrophobicContact CB-CE 3.78Å; L24-M140 WeakPolarHBondContact O-CE 3.33Å; V29-M140 HydrophobicContact CG2-CE 4.37Å; V29-M140 HydrophobicContact CG2-SD 3.71Å; L31-M140 HydrophobicContact CD1-CB 4.1Å; L31-M140 HydrophobicContact CD1-CE 3.86Å; L31-M140 HydrophobicContact CD1-SD 4.47Å; L31-M140 HydrophobicContact CG-CE 3.82Å; E136-M140 HydrophobicContact CG-SD 4.08Å; E136-M140 VanDerWaalsContact O-CG 3.31Å; E136-M140 WeakPolarHBondContact O-CG 3.33Å; E136-M140 PolarHBondContact O-N 3.36Å; V137-M140 PolarHBondContact O-N 2.74Å; V137-M140 VanDerWaalsContact O-N 3.16Å; M140-C143 WeakPolarHBondContact O-CB 3.5Å; M140-C143 PolarHBondContact O-N 3.02Å; M140-C143 VanDerWaalsContact O-N 3.15Å; M140-Y144 PolarHBondContact O-N 3.37Å; M140-F206 HydrophobicContact CG-CD2 4.48Å; M140-F206 HydrophobicContact CG-CE2 3.81Å; M140-M207 HydrophobicContact CB-SD 3.66Å; M140-M207 HydrophobicContact CE-CG 4.09Å; M140-M207 HydrophobicContact CE-SD 4.18Å; M140-M207 HydrophobicContact CG-CG 4.28Å; M140-M207 HydrophobicContact CG-SD 3.8Å
141M96.8Very high95Very high0 Ų028.7 Ų28.70%016%0.155CC..Hα-helixtrans-69.2-37.5-176.8-162.565.7175.200112.8C79 F81 V104 I106 L119 V137 R139 C143 Y144 G145C79-M141 HydrophobicContact CB-CE 4.38Å; C79-M141 VanDerWaalsContact O-CE 3.3Å; C79-M141 WeakPolarHBondContact O-CE 3.18Å; F81-M141 HydrophobicContact CD2-CE 3.86Å; F81-M141 HydrophobicContact CD2-SD 3.79Å; F81-M141 HydrophobicContact CE2-CE 4.13Å; F81-M141 HydrophobicContact CE2-SD 4.07Å; V104-M141 HydrophobicContact CG1-CG 4.43Å; V104-M141 HydrophobicContact CG1-SD 4.1Å; V104-M141 HydrophobicContact CG2-CB 3.78Å; V104-M141 HydrophobicContact CG2-CG 3.66Å; V104-M141 HydrophobicContact CG2-SD 4.37Å; I106-M141 HydrophobicContact CB-CE 3.85Å; I106-M141 HydrophobicContact CD1-CE 3.71Å; I106-M141 HydrophobicContact CD1-CG 3.83Å; I106-M141 HydrophobicContact CD1-SD 4.34Å; I106-M141 HydrophobicContact CG1-CE 3.52Å; I106-M141 HydrophobicContact CG1-CG 3.9Å; L119-M141 HydrophobicContact CD1-CB 3.98Å; L119-M141 HydrophobicContact CD1-CG 3.6Å; V137-M141 WeakPolarHBondContact O-CB 3.21Å; V137-M141 PolarHBondContact O-N 3.3Å; R139-M141 PolarHBondContact O-N 3.41Å; M141-C143 VanDerWaalsContact C-N 3.3Å; M141-C143 PolarHBondContact O-N 3.08Å; M141-Y144 PolarHBondContact O-N 3.12Å; M141-G145 PolarHBondContact O-N 3.33Å
142I95.1Very high95Very high0 Ų030 Ų300%016%0.156CC..Hα-helixtrans-61.3-42.8171.2-68.7165.6000110.2L119 T138 R139 G145 V146 F154 F174 M190 L200L119-I142 HydrophobicContact CD2-CD1 4.2Å; L119-I142 HydrophobicContact CD2-CG1 3.68Å; T138-I142 HydrophobicContact CG2-CD1 3.73Å; T138-I142 HydrophobicContact CG2-CG1 4.45Å; T138-I142 WeakPolarHBondContact O-CB 3.38Å; T138-I142 WeakPolarHBondContact O-CD1 3.22Å; T138-I142 VanDerWaalsContact O-CG1 3.24Å; T138-I142 WeakPolarHBondContact O-CG1 3.49Å; T138-I142 PolarHBondContact O-N 3.42Å; R139-I142 PolarHBondContact O-N 2.94Å; I142-G145 PolarHBondContact O-N 3.46Å; I142-V146 HydrophobicContact CG2-CG2 4.31Å; I142-V146 VanDerWaalsContact O-CG2 3.27Å; I142-V146 WeakPolarHBondContact O-CG2 3.49Å; I142-V146 PolarHBondContact O-N 3.35Å; I142-F154 HydrophobicContact CB-CZ 4.33Å; I142-F154 HydrophobicContact CG1-CE1 4.39Å; I142-F154 HydrophobicContact CG1-CZ 4.42Å; I142-F154 HydrophobicContact CG2-CD2 4.38Å; I142-F154 HydrophobicContact CG2-CE2 3.84Å; I142-F154 HydrophobicContact CG2-CZ 4.08Å; I142-F174 HydrophobicContact CD1-CE2 3.93Å; I142-F174 HydrophobicContact CD1-CZ 4.22Å; I142-M190 HydrophobicContact CD1-CE 4.04Å; I142-M190 HydrophobicContact CG2-CE 4.04Å; I142-L200 HydrophobicContact CG2-CD1 3.61Å
143C94.5Very high95Very high0 Ų032.4 Ų32.40%016%0.158CC..Hα-helixtrans-63.4-44.2178.8-64.50000111.5R139 M140 M141 V146 T147 L201 M204 F206 M207R139-C143 PolarHBondContact O-N 3.12Å; R139-C143 PolarHBondContact O-SG 3.22Å; M140-C143 WeakPolarHBondContact O-CB 3.5Å; M140-C143 PolarHBondContact O-N 3.02Å; M140-C143 VanDerWaalsContact O-N 3.15Å; M141-C143 VanDerWaalsContact C-N 3.3Å; M141-C143 PolarHBondContact O-N 3.08Å; C143-V146 PolarHBondContact O-N 3.23Å; C143-T147 WeakPolarHBondContact O-CB 3.45Å; C143-T147 WeakPolarHBondContact O-CG2 3.3Å; C143-T147 PolarHBondContact O-N 3.33Å; C143-T147 PolarHBondContact O-OG1 2.96Å; C143-L201 HydrophobicContact CB-CD2 3.7Å; C143-L201 WeakPolarHBondContact SG-CD2 3.32Å; C143-M204 HydrophobicContact CB-CE 4.36Å; C143-M204 HydrophobicContact CB-SD 4.43Å; C143-F206 HydrophobicContact CB-CZ 4.38Å; C143-M207 HydrophobicContact CB-CE 4.14Å
144Y95.1Very high95Very high2 Ų231.8 Ų31.81%0.00816%0.155CC..Hα-helixtrans-60.4-49.4174.5-173.1-97.4000111.5T22 L24 F81 M140 M141 V146 T147 K148 L149T22-Y144 HydrophobicContact CG2-CE2 3.99Å; L24-Y144 HydrophobicContact CD1-CD2 3.77Å; L24-Y144 HydrophobicContact CD1-CG 4.03Å; L24-Y144 HydrophobicContact CD2-CD2 4.09Å; L24-Y144 HydrophobicContact CG-CD2 4.47Å; F81-Y144 HydrophobicContact CE2-CD1 4.15Å; F81-Y144 HydrophobicContact CE2-CE1 4.01Å; F81-Y144 HydrophobicContact CZ-CE1 4.28Å; F81-Y144 HydrophobicContact CZ-CE2 4.34Å; M140-Y144 PolarHBondContact O-N 3.37Å; M141-Y144 PolarHBondContact O-N 3.12Å; Y144-V146 VanDerWaalsContact C-N 3.33Å; Y144-V146 PolarHBondContact O-N 3.45Å; Y144-T147 PolarHBondContact O-N 2.81Å; Y144-K148 HydrophobicContact CD1-CB 4.47Å; Y144-K148 HydrophobicContact CD2-CB 4.11Å; Y144-K148 HydrophobicContact CD2-CG 3.67Å; Y144-K148 HydrophobicContact CE1-CB 4.25Å; Y144-K148 HydrophobicContact CE2-CB 3.87Å; Y144-K148 HydrophobicContact CE2-CG 3.58Å; Y144-K148 HydrophobicContact CG-CB 4.41Å; Y144-K148 HydrophobicContact CG-CG 4.34Å; Y144-K148 WeakPolarHBondContact O-CB 3.39Å; Y144-K148 PolarHBondContact O-N 3.5Å; Y144-L149 HydrophobicContact CD1-CD1 4.19Å; Y144-L149 HydrophobicContact CD1-CG 4.18Å; Y144-L149 HydrophobicContact CE1-CD1 4.12Å; Y144-L149 HydrophobicContact CE1-CD2 4.01Å; Y144-L149 HydrophobicContact CE1-CG 3.97Å; Y144-L149 PolarHBondContact O-N 2.86Å
145G94.9Very high95.1Very high0 Ų033.4 Ų33.40%016%0.159CC..Iπ-helixtrans-56.5-43.8177.600000113M141 I142 L149 G150 I151M141-G145 PolarHBondContact O-N 3.33Å; I142-G145 PolarHBondContact O-N 3.46Å; G145-L149 CarbonylContact O-C 3.58Å; G145-L149 WeakPolarHBondContact O-CA 3.29Å; G145-L149 WeakPolarHBondContact O-CB 3.41Å; G145-L149 PolarHBondContact O-N 2.99Å; G145-G150 PolarHBondContact O-N 3.22Å; G145-I151 PolarHBondContact O-N 3.36Å
146V93.4Very high95.2Very high12 Ų1229.7 Ų29.77%0.07314%0.143CC..Iπ-helixtrans-70.2-40.9178.8174.40000112.6I142 C143 Y144 F154 V192 L201I142-V146 HydrophobicContact CG2-CG2 4.31Å; I142-V146 VanDerWaalsContact O-CG2 3.27Å; I142-V146 WeakPolarHBondContact O-CG2 3.49Å; I142-V146 PolarHBondContact O-N 3.35Å; C143-V146 PolarHBondContact O-N 3.23Å; Y144-V146 VanDerWaalsContact C-N 3.33Å; Y144-V146 PolarHBondContact O-N 3.45Å; V146-F154 HydrophobicContact CG2-CE2 3.84Å; V146-F154 HydrophobicContact CG2-CZ 4.21Å; V146-V192 HydrophobicContact CG1-CG1 4.3Å; V146-V192 HydrophobicContact CG2-CB 4.38Å; V146-V192 HydrophobicContact CG2-CG1 3.94Å; V146-V192 HydrophobicContact CG2-CG2 3.83Å; V146-L201 HydrophobicContact CG1-CD1 3.95Å
147T90.5Very high95.2Very high59 Ų5932.1 Ų32.136%0.36215%0.154SC..Iπ-helixtrans-91.2-28.8-169.557.90000114C143 Y144 L201C143-T147 WeakPolarHBondContact O-CB 3.45Å; C143-T147 WeakPolarHBondContact O-CG2 3.3Å; C143-T147 PolarHBondContact O-N 3.33Å; C143-T147 PolarHBondContact O-OG1 2.96Å; Y144-T147 PolarHBondContact O-N 2.81Å; T147-L201 HydrophobicContact CG2-CD1 3.88Å; T147-L201 HydrophobicContact CG2-CD2 4.17Å
148K92.3Very high95.2Very high84 Ų8432.7 Ų32.737%0.36516%0.156SC..Iπ-helixtrans-112-37.5-175-58.6-68179.6140.70112.9I18 Y144 E209I18-K148 HydrophobicContact CD1-CB 4.38Å; Y144-K148 HydrophobicContact CD1-CB 4.47Å; Y144-K148 HydrophobicContact CD2-CB 4.11Å; Y144-K148 HydrophobicContact CD2-CG 3.67Å; Y144-K148 HydrophobicContact CE1-CB 4.25Å; Y144-K148 HydrophobicContact CE2-CB 3.87Å; Y144-K148 HydrophobicContact CE2-CG 3.58Å; Y144-K148 HydrophobicContact CG-CB 4.41Å; Y144-K148 HydrophobicContact CG-CG 4.34Å; Y144-K148 WeakPolarHBondContact O-CB 3.39Å; Y144-K148 PolarHBondContact O-N 3.5Å; K148-E209 WeakPolarHBondContact CE-OE2 3.5Å; K148-E209 IonicContact NZ-OE1 3.12Å; K148-E209 PolarHBondContact NZ-OE1 3.23Å; K148-E209 IonicContact NZ-OE2 2.91Å; K148-E209 PolarHBondContact NZ-OE2 3.42Å
149L92.4Very high95.1Very high30 Ų3034 Ų3416%0.15717%0.17CC..Iπ-helixtrans-98.5-10.9-177.1-51.8-177.2000113.2M16 I18 C79 I106 Y144 G145 I151M16-L149 HydrophobicContact SD-CD1 4.41Å; M16-L149 HydrophobicContact SD-CD2 3.92Å; I18-L149 HydrophobicContact CG2-CD2 3.53Å; C79-L149 HydrophobicContact CB-CD1 4.1Å; I106-L149 HydrophobicContact CB-CD1 4.43Å; I106-L149 HydrophobicContact CD1-CD1 4.02Å; I106-L149 HydrophobicContact CG2-CD1 3.96Å; Y144-L149 HydrophobicContact CD1-CD1 4.19Å; Y144-L149 HydrophobicContact CD1-CG 4.18Å; Y144-L149 HydrophobicContact CE1-CD1 4.12Å; Y144-L149 HydrophobicContact CE1-CD2 4.01Å; Y144-L149 HydrophobicContact CE1-CG 3.97Å; Y144-L149 PolarHBondContact O-N 2.86Å; G145-L149 CarbonylContact O-C 3.58Å; G145-L149 WeakPolarHBondContact O-CA 3.29Å; G145-L149 WeakPolarHBondContact O-CB 3.41Å; G145-L149 PolarHBondContact O-N 2.99Å; L149-I151 VanDerWaalsContact C-N 3.3Å; L149-I151 HydrophobicContact CB-CD1 4.23Å; L149-I151 HydrophobicContact CB-CG1 3.92Å; L149-I151 PolarHBondContact O-N 3.07Å
150G92.1Very high95.1Very high42 Ų4232.3 Ų32.343%0.43317%0.166SC..  trans73.917.3-179.900000114.6G145G145-G150 PolarHBondContact O-N 3.22Å
151I95.1Very high94.9Very high2 Ų237.4 Ų37.41%0.0119%0.193CC..  trans-66.1135.6179.7-53.6-49.4000110.5L108 S114 S115 A117 G145 L149 K153 F154L108-I151 HydrophobicContact CD2-CD1 3.61Å; S114-I151 WeakPolarHBondContact O-CD1 3.35Å; S115-I151 WeakPolarHBondContact O-CG2 3.4Å; A117-I151 HydrophobicContact CB-CD1 3.86Å; A117-I151 HydrophobicContact CB-CG1 4.08Å; A117-I151 HydrophobicContact CB-CG2 3.99Å; G145-I151 PolarHBondContact O-N 3.36Å; L149-I151 VanDerWaalsContact C-N 3.3Å; L149-I151 HydrophobicContact CB-CD1 4.23Å; L149-I151 HydrophobicContact CB-CG1 3.92Å; L149-I151 PolarHBondContact O-N 3.07Å; I151-K153 WeakPolarHBondContact CG2-O 3.44Å; I151-F154 HydrophobicContact CB-CE1 4.22Å; I151-F154 HydrophobicContact CB-CE2 4.12Å; I151-F154 HydrophobicContact CB-CZ 3.75Å; I151-F154 HydrophobicContact CG2-CD1 4.04Å; I151-F154 HydrophobicContact CG2-CD2 3.97Å; I151-F154 HydrophobicContact CG2-CE1 3.72Å; I151-F154 HydrophobicContact CG2-CE2 3.62Å; I151-F154 HydrophobicContact CG2-CG 4.18Å; I151-F154 HydrophobicContact CG2-CZ 3.5Å; I151-F154 VanDerWaalsContact CG2-CZ 3.5Å
152R95Very high94.8Very high164 Ų16438.8 Ų38.862%0.61920%0.201SC*.  trans-121.9-18.8179.8-58.6-178.173.8132.11.5112.4S115 V192S115-R152 PolarHBondContact O-N 3.17Å; R152-V192 PolarHBondContact O-N 2.99Å
153K96.8Very high94.7Very high83 Ų8345.1 Ų45.136%0.36123%0.228SC..EExtended strand (participates in β ladder)trans-131.9129176.6-57.2172.2-164155.60108.3D113 S115 L116 A117 I151 M190D113-K153 IonicContact OD2-NZ 2.74Å; D113-K153 PolarHBondContact OD2-NZ 3.22Å; S115-K153 PolarHBondContact O-N 3.21Å; L116-K153 WeakPolarHBondContact CA-O 3.41Å; L116-K153 HydrophobicContact CB-CB 4.44Å; L116-K153 HydrophobicContact CD1-CB 3.58Å; L116-K153 HydrophobicContact CD1-CD 4.35Å; A117-K153 PolarHBondContact N-O 3.28Å; I151-K153 WeakPolarHBondContact CG2-O 3.44Å; K153-M190 WeakPolarHBondContact CA-O 3.32Å
154F97.8Very high94.7Very high1 Ų150.8 Ų50.80%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-111.7137.8173.5-69.8-89.9000109.3I106 A117 L119 I142 V146 I151 F174 G189 M190 V192I106-F154 HydrophobicContact CD1-CE1 3.94Å; A117-F154 CarbonylContact O-C 3.55Å; A117-F154 VanDerWaalsContact O-CA 3.28Å; A117-F154 WeakPolarHBondContact O-CA 3.33Å; L119-F154 HydrophobicContact CB-CD1 4.13Å; L119-F154 HydrophobicContact CD2-CD1 4.34Å; I142-F154 HydrophobicContact CB-CZ 4.33Å; I142-F154 HydrophobicContact CG1-CE1 4.39Å; I142-F154 HydrophobicContact CG1-CZ 4.42Å; I142-F154 HydrophobicContact CG2-CD2 4.38Å; I142-F154 HydrophobicContact CG2-CE2 3.84Å; I142-F154 HydrophobicContact CG2-CZ 4.08Å; V146-F154 HydrophobicContact CG2-CE2 3.84Å; V146-F154 HydrophobicContact CG2-CZ 4.21Å; I151-F154 HydrophobicContact CB-CE1 4.22Å; I151-F154 HydrophobicContact CB-CE2 4.12Å; I151-F154 HydrophobicContact CB-CZ 3.75Å; I151-F154 HydrophobicContact CG2-CD1 4.04Å; I151-F154 HydrophobicContact CG2-CD2 3.97Å; I151-F154 HydrophobicContact CG2-CE1 3.72Å; I151-F154 HydrophobicContact CG2-CE2 3.62Å; I151-F154 HydrophobicContact CG2-CG 4.18Å; I151-F154 HydrophobicContact CG2-CZ 3.5Å; I151-F154 VanDerWaalsContact CG2-CZ 3.5Å; F154-F174 HydrophobicContact CB-CE1 3.69Å; F154-F174 HydrophobicContact CB-CZ 3.58Å; F154-F174 HydrophobicContact CG-CZ 4.41Å; F154-G189 CarbonylContact O-C 3.58Å; F154-G189 VanDerWaalsContact O-CA 3.25Å; F154-G189 WeakPolarHBondContact O-CA 3.45Å; F154-M190 HydrophobicContact CD2-CE 3.86Å; F154-M190 HydrophobicContact CG-CE 4.48Å; F154-M190 PolarHBondContact N-O 3.19Å; F154-M190 PolarHBondContact O-N 3.03Å; F154-V192 HydrophobicContact CD2-CG2 3.91Å; F154-V192 HydrophobicContact CE2-CG2 3.79Å
155E98.2Very high94.6Very high44 Ų4451.7 Ų51.721%0.20627%0.269CS..EExtended strand (participates in β ladder)trans-117.1153.3166.7-71.5-177178.500110.1L116 A117 E118 L119 L177 T187 L188L116-E155 HydrophobicContact CD1-CG 3.94Å; A117-E155 PolarHBondContact O-N 3.32Å; E118-E155 CarbonylContact C-O 3.59Å; E118-E155 WeakPolarHBondContact CA-O 3.2Å; L119-E155 PolarHBondContact N-O 2.88Å; E155-L177 HydrophobicContact CG-CD1 4.02Å; E155-T187 HydrophobicContact CB-CG2 4.37Å; E155-T187 HydrophobicContact CG-CG2 4.37Å; E155-L188 CarbonylContact C-O 3.59Å; E155-L188 WeakPolarHBondContact CA-O 3.35Å
156A97.9Very high94.7Very high1 Ų152.6 Ų52.61%0.00827%0.274CS..EExtended strand (participates in β ladder)trans-139.9118.3169.800000107.7I158 F169 F174 L188A156-I158 HydrophobicContact CB-CD1 4.27Å; A156-I158 HydrophobicContact CB-CG1 4.29Å; A156-F169 HydrophobicContact CB-CD1 3.86Å; A156-F169 HydrophobicContact CB-CD2 4.32Å; A156-F169 HydrophobicContact CB-CE1 3.57Å; A156-F169 HydrophobicContact CB-CE2 4.06Å; A156-F169 HydrophobicContact CB-CG 4.22Å; A156-F169 HydrophobicContact CB-CZ 3.67Å; A156-F174 HydrophobicContact CB-CE1 4.48Å; A156-L188 PolarHBondContact N-O 3.1Å; A156-L188 PolarHBondContact O-N 3.14Å
157K96.5Very high94.9Very high84 Ų8454.6 Ų54.637%0.36529%0.292SS..EExtended strand (participates in β ladder)trans-90.9126.8171.8-60.9-175.6-160.2113.90108.7E118 V186 T187E118-K157 VanDerWaalsContact CD-NZ 3.31Å; E118-K157 WeakPolarHBondContact OE1-CB 3.27Å; E118-K157 WeakPolarHBondContact OE1-CD 3.36Å; E118-K157 WeakPolarHBondContact OE1-CG 2.97Å; E118-K157 IonicContact OE1-NZ 2.62Å; E118-K157 PolarHBondContact OE1-NZ 2.8Å; E118-K157 VanDerWaalsContact OE1-NZ 3.16Å; E118-K157 IonicContact OE2-NZ 3.78Å; E118-K157 PolarHBondContact OE2-NZ 2.92Å; K157-V186 WeakPolarHBondContact CA-O 3.2Å; K157-T187 HydrophobicContact CG-CG2 4.37Å
158I96.3Very high95.1Very high11 Ų1152.9 Ų52.96%0.05628%0.28CS..EExtended strand (participates in β ladder)trans-137.5128.3-171.4-50.7174.4000108.9A156 L160 N162 I166 F169 E185 V186 L188A156-I158 HydrophobicContact CB-CD1 4.27Å; A156-I158 HydrophobicContact CB-CG1 4.29Å; I158-L160 PolarHBondContact O-N 2.78Å; I158-N162 HydrophobicContact CG2-CB 3.83Å; I158-I166 HydrophobicContact CB-CG1 4.14Å; I158-I166 HydrophobicContact CD1-CG1 4.32Å; I158-I166 HydrophobicContact CG2-CD1 4.45Å; I158-I166 HydrophobicContact CG2-CG1 3.77Å; I158-F169 HydrophobicContact CD1-CB 4.37Å; I158-F169 HydrophobicContact CD1-CD2 3.47Å; I158-F169 VanDerWaalsContact CD1-CD2 3.47Å; I158-F169 HydrophobicContact CD1-CE2 3.99Å; I158-F169 HydrophobicContact CD1-CG 4.12Å; I158-E185 CarbonylContact O-C 3.39Å; I158-E185 WeakPolarHBondContact O-CA 3.29Å; I158-V186 HydrophobicContact CB-CG1 4.31Å; I158-V186 PolarHBondContact N-O 2.76Å; I158-V186 WeakPolarHBondContact O-CG1 3.23Å; I158-V186 PolarHBondContact O-N 2.91Å; I158-L188 HydrophobicContact CD1-CD1 3.88Å
159G95.4Very high95.3Very high29 Ų2949.1 Ų49.130%0.29926%0.263SS..EExtended strand (participates in β ladder)trans-52.9136172.100000111.6D161 N162 R184G159-D161 PolarHBondContact O-N 3.02Å; G159-N162 WeakPolarHBondContact O-CB 3.11Å; G159-N162 PolarHBondContact O-N 2.94Å; G159-R184 WeakPolarHBondContact CA-O 3.16Å
160L94.6Very high95.5Very high30 Ų3052.5 Ų52.516%0.15728%0.277CS..THydrogen-bonded Turntrans-58.2-24.9-173.9-73.5172.9000112.9I158 K163 V179 R184 V186I158-L160 PolarHBondContact O-N 2.78Å; L160-K163 WeakPolarHBondContact O-CD 3.19Å; L160-K163 WeakPolarHBondContact O-CE 3.33Å; L160-K163 PolarHBondContact O-NZ 2.87Å; L160-V179 HydrophobicContact CD1-CG1 4.32Å; L160-V179 HydrophobicContact CD2-CG1 4.17Å; L160-R184 WeakPolarHBondContact CB-O 3.45Å; L160-R184 VanDerWaalsContact CG-O 3.3Å; L160-R184 WeakPolarHBondContact CG-O 3.33Å; L160-R184 PolarHBondContact N-O 2.82Å; L160-V186 HydrophobicContact CD2-CB 3.98Å; L160-V186 HydrophobicContact CD2-CG1 4.36Å
161D92.8Very high95.4Very high108 Ų10858.5 Ų58.558%0.57829%0.286SS*.THydrogen-bonded Turntrans-85.3-14.7-179.8-59.5-43.9000112.8G159 K163 R184G159-D161 PolarHBondContact O-N 3.02Å; D161-K163 PolarHBondContact O-N 2.97Å; D161-R184 IonicContact OD1-NH2 3.58Å; D161-R184 PolarHBondContact OD1-NH2 3.13Å; D161-R184 IonicContact OD2-NH2 3.39Å; D161-R184 PolarHBondContact OD2-NH2 2.92Å
162N93.5Very high95.2Very high28 Ų2859.7 Ų59.715%0.1529%0.292CS..  trans-81.465.6175-168.9-11.3000111.6L54 I158 G159 V164 S165 I166L54-N162 HydrophobicContact CD2-CB 4.07Å; I158-N162 HydrophobicContact CG2-CB 3.83Å; G159-N162 WeakPolarHBondContact O-CB 3.11Å; G159-N162 PolarHBondContact O-N 2.94Å; N162-V164 PolarHBondContact O-N 3Å; N162-V164 VanDerWaalsContact O-N 3.17Å; N162-S165 PolarHBondContact ND2-OG 2.83Å; N162-S165 VanDerWaalsContact ND2-OG 3.16Å; N162-S165 PolarHBondContact O-N 2.94Å; N162-S165 WeakPolarHBondContact OD1-CB 3.45Å; N162-S165 PolarHBondContact OD1-N 3.33Å; N162-S165 PolarHBondContact OD1-OG 3.05Å; N162-I166 WeakPolarHBondContact O-CG1 3.32Å; N162-I166 PolarHBondContact O-N 2.98Å; N162-I166 VanDerWaalsContact O-N 3.13Å
163K94.1Very high95Very high133 Ų13356.5 Ų56.558%0.57828%0.284SS*.Hα-helixtrans-59.8-27.5-179.5-57.2-52.7-174.5-169.10112.9L160 D161 I166 A167L160-K163 WeakPolarHBondContact O-CD 3.19Å; L160-K163 WeakPolarHBondContact O-CE 3.33Å; L160-K163 PolarHBondContact O-NZ 2.87Å; D161-K163 PolarHBondContact O-N 2.97Å; K163-I166 HydrophobicContact CD-CD1 4.43Å; K163-A167 VanDerWaalsContact O-CB 3.25Å; K163-A167 WeakPolarHBondContact O-CB 3.49Å; K163-A167 PolarHBondContact O-N 2.91Å
164V93.4Very high95Very high119 Ų11952.9 Ų52.972%0.72127%0.268SS*.Hα-helixtrans-66.9-51.8179.2178.50000110.7N162 A167 M168N162-V164 PolarHBondContact O-N 3Å; N162-V164 VanDerWaalsContact O-N 3.17Å; V164-A167 PolarHBondContact O-N 3.12Å; V164-M168 WeakPolarHBondContact O-CB 3.24Å; V164-M168 PolarHBondContact O-N 2.69Å
165S94.8Very high94.9Very high22 Ų2257.6 Ų57.615%0.15429%0.29CS..Hα-helixtrans-65.2-42.8177.4-68.50000111.6N162 A167 M168 F169N162-S165 PolarHBondContact ND2-OG 2.83Å; N162-S165 VanDerWaalsContact ND2-OG 3.16Å; N162-S165 PolarHBondContact O-N 2.94Å; N162-S165 WeakPolarHBondContact OD1-CB 3.45Å; N162-S165 PolarHBondContact OD1-N 3.33Å; N162-S165 PolarHBondContact OD1-OG 3.05Å; S165-A167 VanDerWaalsContact C-N 3.34Å; S165-A167 PolarHBondContact O-N 3.21Å; S165-M168 WeakPolarHBondContact O-CB 3.45Å; S165-M168 PolarHBondContact O-N 2.99Å; S165-M168 VanDerWaalsContact O-N 3.08Å; S165-F169 WeakPolarHBondContact O-CD2 3.46Å; S165-F169 PolarHBondContact O-N 3.29Å
166I96.6Very high94.9Very high18 Ų1860.6 Ų60.69%0.09230%0.304CS..Hα-helixtrans-56.2-48.5175.9-65.4167.6000110.9I158 N162 K163 M168 F169 K170 V186 L188I158-I166 HydrophobicContact CB-CG1 4.14Å; I158-I166 HydrophobicContact CD1-CG1 4.32Å; I158-I166 HydrophobicContact CG2-CD1 4.45Å; I158-I166 HydrophobicContact CG2-CG1 3.77Å; N162-I166 WeakPolarHBondContact O-CG1 3.32Å; N162-I166 PolarHBondContact O-N 2.98Å; N162-I166 VanDerWaalsContact O-N 3.13Å; K163-I166 HydrophobicContact CD-CD1 4.43Å; I166-M168 VanDerWaalsContact C-N 3.3Å; I166-M168 PolarHBondContact O-N 3.21Å; I166-F169 PolarHBondContact O-N 3.47Å; I166-K170 HydrophobicContact CG2-CD 4.19Å; I166-K170 WeakPolarHBondContact O-CB 3.46Å; I166-K170 WeakPolarHBondContact O-CG 3.45Å; I166-K170 PolarHBondContact O-N 3.12Å; I166-V186 HydrophobicContact CD1-CG1 3.72Å; I166-V186 HydrophobicContact CG1-CG1 3.84Å; I166-L188 HydrophobicContact CG2-CD1 4.42Å
167A96.4Very high94.8Very high54 Ų5464.6 Ų64.645%0.44632%0.324SS..Hα-helixtrans-64.9-35.3178.600000112.2K163 V164 S165 R171K163-A167 VanDerWaalsContact O-CB 3.25Å; K163-A167 WeakPolarHBondContact O-CB 3.49Å; K163-A167 PolarHBondContact O-N 2.91Å; V164-A167 PolarHBondContact O-N 3.12Å; S165-A167 VanDerWaalsContact C-N 3.34Å; S165-A167 PolarHBondContact O-N 3.21Å; A167-R171 WeakPolarHBondContact O-CG 3.48Å; A167-R171 PolarHBondContact O-N 3.38Å
168M95.7Very high94.9Very high23 Ų2363.5 Ų63.511%0.11333%0.327CS..Hα-helixtrans-63.5-53.5175.5-176.8-178.974.800111.6I121 G134 K135 V164 S165 I166 K170 R171 F172I121-M168 HydrophobicContact CG2-CE 3.83Å; G134-M168 VanDerWaalsContact C-SD 3.5Å; K135-M168 HydrophobicContact CG-CG 3.87Å; K135-M168 HydrophobicContact CG-SD 4.16Å; V164-M168 WeakPolarHBondContact O-CB 3.24Å; V164-M168 PolarHBondContact O-N 2.69Å; S165-M168 WeakPolarHBondContact O-CB 3.45Å; S165-M168 PolarHBondContact O-N 2.99Å; S165-M168 VanDerWaalsContact O-N 3.08Å; I166-M168 VanDerWaalsContact C-N 3.3Å; I166-M168 PolarHBondContact O-N 3.21Å; M168-K170 VanDerWaalsContact C-N 3.34Å; M168-K170 PolarHBondContact O-N 2.85Å; M168-R171 WeakPolarHBondContact O-CB 3.28Å; M168-R171 PolarHBondContact O-N 3.46Å; M168-F172 HydrophobicContact CG-CD2 4.37Å; M168-F172 HydrophobicContact CG-CE2 4.12Å; M168-F172 WeakPolarHBondContact O-CD2 3.36Å; M168-F172 PolarHBondContact O-N 3.12Å
169F96.7Very high94.9Very high5 Ų566.2 Ų66.22%0.02234%0.344CS..Hα-helixtrans-63-37.9-179.5-85-83.4000112.3L119 I121 T138 A156 I158 S165 I166 R171 F172 H173 F174 L188L119-F169 HydrophobicContact CD2-CE1 4.11Å; L119-F169 HydrophobicContact CG-CE1 4.37Å; L119-F169 HydrophobicContact CG-CZ 4.41Å; I121-F169 HydrophobicContact CG2-CE2 4.2Å; I121-F169 HydrophobicContact CG2-CZ 4.28Å; T138-F169 HydrophobicContact CG2-CE1 4.31Å; A156-F169 HydrophobicContact CB-CD1 3.86Å; A156-F169 HydrophobicContact CB-CD2 4.32Å; A156-F169 HydrophobicContact CB-CE1 3.57Å; A156-F169 HydrophobicContact CB-CE2 4.06Å; A156-F169 HydrophobicContact CB-CG 4.22Å; A156-F169 HydrophobicContact CB-CZ 3.67Å; I158-F169 HydrophobicContact CD1-CB 4.37Å; I158-F169 HydrophobicContact CD1-CD2 3.47Å; I158-F169 VanDerWaalsContact CD1-CD2 3.47Å; I158-F169 HydrophobicContact CD1-CE2 3.99Å; I158-F169 HydrophobicContact CD1-CG 4.12Å; S165-F169 WeakPolarHBondContact O-CD2 3.46Å; S165-F169 PolarHBondContact O-N 3.29Å; I166-F169 PolarHBondContact O-N 3.47Å; F169-R171 PolarHBondContact O-N 2.89Å; F169-F172 CarbonylContact O-C 3.51Å; F169-F172 WeakPolarHBondContact O-CA 3.01Å; F169-F172 WeakPolarHBondContact O-CB 3.26Å; F169-F172 PolarHBondContact O-N 3.34Å; F169-H173 PolarHBondContact O-N 2.81Å; F169-F174 HydrophobicContact CB-CB 4.14Å; F169-F174 HydrophobicContact CB-CG 4.22Å; F169-F174 AromaticContact CD1-CD1 3.8Å; F169-F174 HydrophobicContact CD1-CD1 3.8Å; F169-F174 AromaticContact CD1-CD2 3.9Å; F169-F174 HydrophobicContact CD1-CD2 3.9Å; F169-F174 AromaticContact CD1-CE1 3.79Å; F169-F174 HydrophobicContact CD1-CE1 3.79Å; F169-F174 AromaticContact CD1-CE2 3.91Å; F169-F174 HydrophobicContact CD1-CE2 3.91Å; F169-F174 AromaticContact CD1-CG 3.87Å; F169-F174 HydrophobicContact CD1-CG 3.87Å; F169-F174 AromaticContact CD1-CZ 3.85Å; F169-F174 HydrophobicContact CD1-CZ 3.85Å; F169-F174 HydrophobicContact CE1-CD1 4.47Å; F169-F174 HydrophobicContact CE1-CE1 4.04Å; F169-F174 HydrophobicContact CE1-CE2 4.4Å; F169-F174 HydrophobicContact CE1-CZ 4Å; F169-F174 WeakPolarHBondContact O-CB 3.36Å; F169-F174 PolarHBondContact O-N 2.92Å; F169-L188 HydrophobicContact CB-CD1 3.66Å
170K95.1Very high94.9Very high102 Ų10266.5 Ų66.544%0.44334%0.342SS..Hα-helixtrans-59.4-32.8172.4-74.4-176177.4-173.90113I166 M168 F172 H173I166-K170 HydrophobicContact CG2-CD 4.19Å; I166-K170 WeakPolarHBondContact O-CB 3.46Å; I166-K170 WeakPolarHBondContact O-CG 3.45Å; I166-K170 PolarHBondContact O-N 3.12Å; M168-K170 VanDerWaalsContact C-N 3.34Å; M168-K170 PolarHBondContact O-N 2.85Å; K170-F172 PolarHBondContact O-N 3.38Å; K170-H173 PolarHBondContact O-N 3.44Å
171R91.9Very high94.8Very high167 Ų16773.3 Ų73.363%0.6337%0.373SS*.Hα-helixtrans-70.2-21173.3-70177.666.9153.45.6113.3A167 M168 F169 H173A167-R171 WeakPolarHBondContact O-CG 3.48Å; A167-R171 PolarHBondContact O-N 3.38Å; M168-R171 WeakPolarHBondContact O-CB 3.28Å; M168-R171 PolarHBondContact O-N 3.46Å; F169-R171 PolarHBondContact O-N 2.89Å; R171-H173 PolarHBondContact O-NE2 3.08Å
172F89.8Confident94.6Very high28 Ų2874.2 Ų74.212%0.12338%0.382CS..THydrogen-bonded Turntrans-86.713.9169.4-74-76.1000113K135 T138 R139 M168 F169 K170 F174K135-F172 HydrophobicContact CB-CE2 4.04Å; K135-F172 HydrophobicContact CB-CZ 3.96Å; K135-F172 HydrophobicContact CG-CE2 4.06Å; K135-F172 HydrophobicContact CG-CZ 4.41Å; K135-F172 WeakPolarHBondContact O-CZ 3.33Å; T138-F172 HydrophobicContact CG2-CD1 4.48Å; T138-F172 HydrophobicContact CG2-CD2 3.81Å; T138-F172 HydrophobicContact CG2-CE2 3.85Å; T138-F172 HydrophobicContact CG2-CG 4.15Å; T138-F172 HydrophobicContact CG2-CZ 4.24Å; R139-F172 HydrophobicContact CB-CE1 4.01Å; R139-F172 HydrophobicContact CB-CZ 4.35Å; M168-F172 HydrophobicContact CG-CD2 4.37Å; M168-F172 HydrophobicContact CG-CE2 4.12Å; M168-F172 WeakPolarHBondContact O-CD2 3.36Å; M168-F172 PolarHBondContact O-N 3.12Å; F169-F172 CarbonylContact O-C 3.51Å; F169-F172 WeakPolarHBondContact O-CA 3.01Å; F169-F172 WeakPolarHBondContact O-CB 3.26Å; F169-F172 PolarHBondContact O-N 3.34Å; K170-F172 PolarHBondContact O-N 3.38Å; F172-F174 HydrophobicContact CB-CD2 3.77Å; F172-F174 HydrophobicContact CB-CE2 3.97Å; F172-F174 PolarHBondContact O-N 3.18Å
173H90.7Very high94.4Very high97 Ų9780 Ų8045%0.44941%0.406SS..THydrogen-bonded Turntrans65.320.8179.4-50.2-73.2000113.7F169 K170 R171 R199F169-H173 PolarHBondContact O-N 2.81Å; K170-H173 PolarHBondContact O-N 3.44Å; R171-H173 PolarHBondContact O-NE2 3.08Å; H173-R199 PolarHBondContact CD2-NH1 2.92Å; H173-R199 PolarHBondContact CE1-NH1 3.14Å; H173-R199 VanDerWaalsContact CE1-NH1 3.32Å; H173-R199 PolarHBondContact NE2-NH1 2.87Å; H173-R199 PolarHBondContact NE2-NH2 3.35Å
174F96.1Very high94.4Very high6 Ų679.6 Ų79.63%0.02640%0.401CS..  trans-70.2133.9163.8-72.3-119.8000108.8I142 F154 A156 F169 F172 L188 G189 M190I142-F174 HydrophobicContact CD1-CE2 3.93Å; I142-F174 HydrophobicContact CD1-CZ 4.22Å; F154-F174 HydrophobicContact CB-CE1 3.69Å; F154-F174 HydrophobicContact CB-CZ 3.58Å; F154-F174 HydrophobicContact CG-CZ 4.41Å; A156-F174 HydrophobicContact CB-CE1 4.48Å; F169-F174 HydrophobicContact CB-CB 4.14Å; F169-F174 HydrophobicContact CB-CG 4.22Å; F169-F174 AromaticContact CD1-CD1 3.8Å; F169-F174 HydrophobicContact CD1-CD1 3.8Å; F169-F174 AromaticContact CD1-CD2 3.9Å; F169-F174 HydrophobicContact CD1-CD2 3.9Å; F169-F174 AromaticContact CD1-CE1 3.79Å; F169-F174 HydrophobicContact CD1-CE1 3.79Å; F169-F174 AromaticContact CD1-CE2 3.91Å; F169-F174 HydrophobicContact CD1-CE2 3.91Å; F169-F174 AromaticContact CD1-CG 3.87Å; F169-F174 HydrophobicContact CD1-CG 3.87Å; F169-F174 AromaticContact CD1-CZ 3.85Å; F169-F174 HydrophobicContact CD1-CZ 3.85Å; F169-F174 HydrophobicContact CE1-CD1 4.47Å; F169-F174 HydrophobicContact CE1-CE1 4.04Å; F169-F174 HydrophobicContact CE1-CE2 4.4Å; F169-F174 HydrophobicContact CE1-CZ 4Å; F169-F174 WeakPolarHBondContact O-CB 3.36Å; F169-F174 PolarHBondContact O-N 2.92Å; F172-F174 HydrophobicContact CB-CD2 3.77Å; F172-F174 HydrophobicContact CB-CE2 3.97Å; F172-F174 PolarHBondContact O-N 3.18Å; F174-L188 HydrophobicContact CB-CB 3.96Å; F174-L188 HydrophobicContact CD1-CB 4.23Å; F174-G189 CarbonylContact C-O 3.45Å; F174-G189 VanDerWaalsContact CA-O 3.23Å; F174-G189 WeakPolarHBondContact CA-O 3.49Å; F174-M190 HydrophobicContact CD1-CB 3.96Å; F174-M190 HydrophobicContact CD2-CB 3.69Å; F174-M190 HydrophobicContact CD2-CG 4.36Å; F174-M190 HydrophobicContact CD2-SD 4.06Å; F174-M190 HydrophobicContact CE1-CB 4.01Å; F174-M190 HydrophobicContact CE2-CB 3.73Å; F174-M190 HydrophobicContact CE2-CE 3.72Å; F174-M190 HydrophobicContact CE2-CG 4.34Å; F174-M190 HydrophobicContact CE2-SD 3.76Å; F174-M190 HydrophobicContact CG-CB 3.8Å; F174-M190 HydrophobicContact CZ-CB 3.9Å; F174-M190 HydrophobicContact CZ-CE 4.03Å
175H96.3Very high94.5Very high100 Ų10076.3 Ų76.346%0.46338%0.378SS..EExtended strand (participates in β ladder)trans-112.2156.8176.156-82.3000109.9L177 L188 G189H175-L177 WeakPolarHBondContact NE2-CD2 3.27Å; H175-L177 PolarHBondContact O-N 2.98Å; H175-L188 CarbonylContact O-C 3.49Å; H175-L188 VanDerWaalsContact O-CA 3.26Å; H175-L188 WeakPolarHBondContact O-CA 2.94Å; H175-G189 PolarHBondContact CE1-O 3.49Å; H175-G189 VanDerWaalsContact CE1-O 3.29Å; H175-G189 PolarHBondContact N-O 3.47Å; H175-G189 PolarHBondContact ND1-O 2.87Å; H175-G189 PolarHBondContact O-N 3.1Å
176E97.9Very high94.6Very high108 Ų10875.4 Ų75.451%0.50537%0.371SS..EExtended strand (participates in β ladder)trans-68.6126.5177.4-171.1171.4121.800110.4V179 V186 L188E176-V179 HydrophobicContact CG-CG2 4.28Å; E176-V179 WeakPolarHBondContact OE1-CG2 3.43Å; E176-V186 HydrophobicContact CG-CG2 3.69Å; E176-L188 HydrophobicContact CB-CD2 4.12Å
177L97.4Very high94.7Very high84 Ų8475.5 Ų75.544%0.4437%0.373SS..EExtended strand (participates in β ladder)trans-98.8-44.2174.3-64.1-177000111E155 H175 T187E155-L177 HydrophobicContact CG-CD1 4.02Å; H175-L177 WeakPolarHBondContact NE2-CD2 3.27Å; H175-L177 PolarHBondContact O-N 2.98Å; L177-T187 HydrophobicContact CB-CG2 4.42Å; L177-T187 HydrophobicContact CD1-CG2 4.33Å; L177-T187 PolarHBondContact N-O 3.28Å
178S97.7Very high94.8Very high61 Ų6173 Ų7343%0.42735%0.352SS..EExtended strand (participates in β ladder)trans-158.4162.7-179.463.50000111.6T187S178-T187 PolarHBondContact N-O 2.88Å; S178-T187 PolarHBondContact O-N 2.95Å; S178-T187 WeakPolarHBondContact OG-CB 3.47Å; S178-T187 PolarHBondContact OG-OG1 2.74Å
179V97Very high94.9Very high68 Ų6872 Ų7241%0.41235%0.348SS..EExtended strand (participates in β ladder)trans-127.7131.6172175.90000108.1L160 E176 E185 V186L160-V179 HydrophobicContact CD1-CG1 4.32Å; L160-V179 HydrophobicContact CD2-CG1 4.17Å; E176-V179 HydrophobicContact CG-CG2 4.28Å; E176-V179 WeakPolarHBondContact OE1-CG2 3.43Å; V179-E185 WeakPolarHBondContact CA-O 3.49Å; V179-V186 HydrophobicContact CG2-CB 4.32Å; V179-V186 HydrophobicContact CG2-CG2 4.01Å
180S94.5Very high94.9Very high36 Ų3672.1 Ų72.125%0.25235%0.349SS..EExtended strand (participates in β ladder)trans-103112.3172.4178.30000109.9V182 F183 R184 E185S180-V182 VanDerWaalsContact C-N 3.32Å; S180-F183 VanDerWaalsContact OG-CD2 3.23Å; S180-F183 WeakPolarHBondContact OG-CD2 3.36Å; S180-F183 PolarHBondContact OG-N 2.68Å; S180-F183 VanDerWaalsContact OG-N 3.12Å; S180-R184 VanDerWaalsContact O-CA 3.29Å; S180-R184 WeakPolarHBondContact O-CA 3.39Å; S180-R184 PolarHBondContact O-N 3.05Å; S180-E185 PolarHBondContact N-O 2.75Å; S180-E185 PolarHBondContact O-N 2.62Å; S180-E185 VanDerWaalsContact O-N 3.07Å
181E91.8Very high94.9Very high172 Ų17271.2 Ų71.280%0.80435%0.352SS*.THydrogen-bonded Turntrans-71.3-30.5174-64.8-163.2170.600112.4
182V90.3Very high94.9Very high128 Ų12864 Ų6478%0.77633%0.326SS*.THydrogen-bonded Turntrans-68.5-48.2179.9177.60000110.7S180 R184S180-V182 VanDerWaalsContact C-N 3.32Å; V182-R184 VanDerWaalsContact C-N 3.33Å
183F88.8Confident94.8Very high148 Ų14866.9 Ų66.965%0.64934%0.343SS*.THydrogen-bonded Turntrans-87.2-6179.4-60.7-63000112.8S180 E185S180-F183 VanDerWaalsContact OG-CD2 3.23Å; S180-F183 WeakPolarHBondContact OG-CD2 3.36Å; S180-F183 PolarHBondContact OG-N 2.68Å; S180-F183 VanDerWaalsContact OG-N 3.12Å; F183-E185 VanDerWaalsContact C-N 3.28Å; F183-E185 HydrophobicContact CB-CB 4.41Å; F183-E185 HydrophobicContact CB-CG 4.31Å; F183-E185 PolarHBondContact O-N 2.77Å
184R93.8Very high94.5Very high125 Ų12569 Ų6947%0.47235%0.353SS..THydrogen-bonded Turntrans55.344.3-176.7-67.3-79.6-59.2147.510.3111.8G159 L160 D161 S180 V182G159-R184 WeakPolarHBondContact CA-O 3.16Å; L160-R184 WeakPolarHBondContact CB-O 3.45Å; L160-R184 VanDerWaalsContact CG-O 3.3Å; L160-R184 WeakPolarHBondContact CG-O 3.33Å; L160-R184 PolarHBondContact N-O 2.82Å; D161-R184 IonicContact OD1-NH2 3.58Å; D161-R184 PolarHBondContact OD1-NH2 3.13Å; D161-R184 IonicContact OD2-NH2 3.39Å; D161-R184 PolarHBondContact OD2-NH2 2.92Å; S180-R184 VanDerWaalsContact O-CA 3.29Å; S180-R184 WeakPolarHBondContact O-CA 3.39Å; S180-R184 PolarHBondContact O-N 3.05Å; V182-R184 VanDerWaalsContact C-N 3.33Å
185E95.7Very high93.8Very high50 Ų5071.9 Ų71.923%0.23438%0.378CS..EExtended strand (participates in β ladder)trans-129153.5-174.4-76.7169.9171.800112.5I158 V179 S180 F183I158-E185 CarbonylContact O-C 3.39Å; I158-E185 WeakPolarHBondContact O-CA 3.29Å; V179-E185 WeakPolarHBondContact CA-O 3.49Å; S180-E185 PolarHBondContact N-O 2.75Å; S180-E185 PolarHBondContact O-N 2.62Å; S180-E185 VanDerWaalsContact O-N 3.07Å; F183-E185 VanDerWaalsContact C-N 3.28Å; F183-E185 HydrophobicContact CB-CB 4.41Å; F183-E185 HydrophobicContact CB-CG 4.31Å; F183-E185 PolarHBondContact O-N 2.77Å
186V97.3Very high93Very high3 Ų368.3 Ų68.32%0.01836%0.363CS..EExtended strand (participates in β ladder)trans-113.6134.1166.759.90000109.5K157 I158 L160 I166 E176 V179 L188K157-V186 WeakPolarHBondContact CA-O 3.2Å; I158-V186 HydrophobicContact CB-CG1 4.31Å; I158-V186 PolarHBondContact N-O 2.76Å; I158-V186 WeakPolarHBondContact O-CG1 3.23Å; I158-V186 PolarHBondContact O-N 2.91Å; L160-V186 HydrophobicContact CD2-CB 3.98Å; L160-V186 HydrophobicContact CD2-CG1 4.36Å; I166-V186 HydrophobicContact CD1-CG1 3.72Å; I166-V186 HydrophobicContact CG1-CG1 3.84Å; E176-V186 HydrophobicContact CG-CG2 3.69Å; V179-V186 HydrophobicContact CG2-CB 4.32Å; V179-V186 HydrophobicContact CG2-CG2 4.01Å; V186-L188 HydrophobicContact CG1-CG 4.49Å; V186-L188 HydrophobicContact CG2-CD2 3.77Å; V186-L188 HydrophobicContact CG2-CG 4.37Å
187T98Very high92.2Very high21 Ų2168.7 Ų68.713%0.12936%0.36CS..EExtended strand (participates in β ladder)trans-94.6117.4168.9-55.90000108.6E155 K157 L177 S178E155-T187 HydrophobicContact CB-CG2 4.37Å; E155-T187 HydrophobicContact CG-CG2 4.37Å; K157-T187 HydrophobicContact CG-CG2 4.37Å; L177-T187 HydrophobicContact CB-CG2 4.42Å; L177-T187 HydrophobicContact CD1-CG2 4.33Å; L177-T187 PolarHBondContact N-O 3.28Å; S178-T187 PolarHBondContact N-O 2.88Å; S178-T187 PolarHBondContact O-N 2.95Å; S178-T187 WeakPolarHBondContact OG-CB 3.47Å; S178-T187 PolarHBondContact OG-OG1 2.74Å
188L98.3Very high91.5Very high0 Ų069.1 Ų69.10%037%0.366CS..EExtended strand (participates in β ladder)trans-102.2142.6172.3-57.1-178.2000109.6E155 A156 I158 I166 F169 F174 H175 E176 V186E155-L188 CarbonylContact C-O 3.59Å; E155-L188 WeakPolarHBondContact CA-O 3.35Å; A156-L188 PolarHBondContact N-O 3.1Å; A156-L188 PolarHBondContact O-N 3.14Å; I158-L188 HydrophobicContact CD1-CD1 3.88Å; I166-L188 HydrophobicContact CG2-CD1 4.42Å; F169-L188 HydrophobicContact CB-CD1 3.66Å; F174-L188 HydrophobicContact CB-CB 3.96Å; F174-L188 HydrophobicContact CD1-CB 4.23Å; H175-L188 CarbonylContact O-C 3.49Å; H175-L188 VanDerWaalsContact O-CA 3.26Å; H175-L188 WeakPolarHBondContact O-CA 2.94Å; E176-L188 HydrophobicContact CB-CD2 4.12Å; V186-L188 HydrophobicContact CG1-CG 4.49Å; V186-L188 HydrophobicContact CG2-CD2 3.77Å; V186-L188 HydrophobicContact CG2-CG 4.37Å
189G97.6Very high90.6Very high3 Ų374 Ų743%0.03138%0.375CS..EExtended strand (participates in β ladder)trans-132.7151.2-178.100000113.8F154 F174 H175F154-G189 CarbonylContact O-C 3.58Å; F154-G189 VanDerWaalsContact O-CA 3.25Å; F154-G189 WeakPolarHBondContact O-CA 3.45Å; F174-G189 CarbonylContact C-O 3.45Å; F174-G189 VanDerWaalsContact CA-O 3.23Å; F174-G189 WeakPolarHBondContact CA-O 3.49Å; H175-G189 PolarHBondContact CE1-O 3.49Å; H175-G189 VanDerWaalsContact CE1-O 3.29Å; H175-G189 PolarHBondContact N-O 3.47Å; H175-G189 PolarHBondContact ND1-O 2.87Å; H175-G189 PolarHBondContact O-N 3.1Å
190M96.1Very high89.6Confident8 Ų871.7 Ų71.74%0.03936%0.36CS..EExtended strand (participates in β ladder)trans-141.9126.8172.6-177.2-17164.600110.3I142 K153 F154 F174 V192 V196 L200I142-M190 HydrophobicContact CD1-CE 4.04Å; I142-M190 HydrophobicContact CG2-CE 4.04Å; K153-M190 WeakPolarHBondContact CA-O 3.32Å; F154-M190 HydrophobicContact CD2-CE 3.86Å; F154-M190 HydrophobicContact CG-CE 4.48Å; F154-M190 PolarHBondContact N-O 3.19Å; F154-M190 PolarHBondContact O-N 3.03Å; F174-M190 HydrophobicContact CD1-CB 3.96Å; F174-M190 HydrophobicContact CD2-CB 3.69Å; F174-M190 HydrophobicContact CD2-CG 4.36Å; F174-M190 HydrophobicContact CD2-SD 4.06Å; F174-M190 HydrophobicContact CE1-CB 4.01Å; F174-M190 HydrophobicContact CE2-CB 3.73Å; F174-M190 HydrophobicContact CE2-CE 3.72Å; F174-M190 HydrophobicContact CE2-CG 4.34Å; F174-M190 HydrophobicContact CE2-SD 3.76Å; F174-M190 HydrophobicContact CG-CB 3.8Å; F174-M190 HydrophobicContact CZ-CB 3.9Å; F174-M190 HydrophobicContact CZ-CE 4.03Å; M190-V192 HydrophobicContact CE-CG2 4.14Å; M190-V196 HydrophobicContact CE-CG1 4.34Å; M190-V196 HydrophobicContact SD-CG1 4.01Å; M190-L200 HydrophobicContact CE-CD1 4.4Å
191T95.5Very high88.5Confident83 Ų8371.3 Ų71.351%0.50936%0.355SS..EExtended strand (participates in β ladder)trans-93.7131.8168.8-62.10000109.9D193T191-D193 PolarHBondContact O-N 3.26Å
192V91.9Very high87.3Confident15 Ų1566 Ų669%0.09135%0.347CS..  trans-84.492.1177.8-175.20000109.2V146 R152 F154 M190 V196 R197V146-V192 HydrophobicContact CG1-CG1 4.3Å; V146-V192 HydrophobicContact CG2-CB 4.38Å; V146-V192 HydrophobicContact CG2-CG1 3.94Å; V146-V192 HydrophobicContact CG2-CG2 3.83Å; R152-V192 PolarHBondContact O-N 2.99Å; F154-V192 HydrophobicContact CD2-CG2 3.91Å; F154-V192 HydrophobicContact CE2-CG2 3.79Å; M190-V192 HydrophobicContact CE-CG2 4.14Å; V192-V196 HydrophobicContact CB-CG1 4.48Å; V192-V196 HydrophobicContact CG1-CG1 4.17Å; V192-V196 HydrophobicContact CG2-CG1 4.41Å; V192-R197 HydrophobicContact CG1-CB 4.29Å
193D87.8Confident86.1Confident88 Ų8864.5 Ų64.547%0.47134%0.335SS..  trans-85.9-177.7167.770.221000111.7T191 A195 V196 R197T191-D193 PolarHBondContact O-N 3.26Å; D193-A195 VanDerWaalsContact C-N 3.29Å; D193-A195 PolarHBondContact O-N 2.93Å; D193-A195 WeakPolarHBondContact OD1-CA 2.88Å; D193-A195 WeakPolarHBondContact OD1-CB 3.48Å; D193-A195 PolarHBondContact OD1-N 3.27Å; D193-V196 PolarHBondContact O-N 3.43Å; D193-V196 WeakPolarHBondContact OD1-CG2 3.4Å; D193-V196 PolarHBondContact OD1-N 2.91Å; D193-R197 VanDerWaalsContact O-CB 3.23Å; D193-R197 WeakPolarHBondContact O-CB 3.22Å; D193-R197 PolarHBondContact O-N 3.38Å
194Q84.1Confident85.1Confident142 Ų14260.8 Ų60.866%0.66432%0.32SS*.Hα-helixtrans-63.8-31.9178.5-76.7-68.7800113.5T198Q194-T198 WeakPolarHBondContact O-CB 3.46Å; Q194-T198 PolarHBondContact O-N 3.08Å; Q194-T198 PolarHBondContact O-OG1 2.97Å
195A81.8Confident84.3Confident67 Ų6758.8 Ų58.855%0.55433%0.33SS*.Hα-helixtrans-72-45.1179.500000110.9D193 R197 T198 R199D193-A195 VanDerWaalsContact C-N 3.29Å; D193-A195 PolarHBondContact O-N 2.93Å; D193-A195 WeakPolarHBondContact OD1-CA 2.88Å; D193-A195 WeakPolarHBondContact OD1-CB 3.48Å; D193-A195 PolarHBondContact OD1-N 3.27Å; A195-R197 VanDerWaalsContact C-N 3.34Å; A195-T198 PolarHBondContact O-N 3.46Å; A195-R199 WeakPolarHBondContact O-CB 3.14Å; A195-R199 PolarHBondContact O-N 3.49Å
196V79.1Confident83.9Confident25 Ų2558.4 Ų58.415%0.15233%0.328CS..Hα-helixtrans-60.2-46.1172.8174.20000110.1M190 V192 D193 T198 R199 L200M190-V196 HydrophobicContact CE-CG1 4.34Å; M190-V196 HydrophobicContact SD-CG1 4.01Å; V192-V196 HydrophobicContact CB-CG1 4.48Å; V192-V196 HydrophobicContact CG1-CG1 4.17Å; V192-V196 HydrophobicContact CG2-CG1 4.41Å; D193-V196 PolarHBondContact O-N 3.43Å; D193-V196 WeakPolarHBondContact OD1-CG2 3.4Å; D193-V196 PolarHBondContact OD1-N 2.91Å; V196-T198 PolarHBondContact O-N 2.93Å; V196-R199 PolarHBondContact O-N 3.49Å; V196-L200 HydrophobicContact CG1-CD1 3.54Å; V196-L200 HydrophobicContact CG1-CG 4.19Å; V196-L200 WeakPolarHBondContact O-CB 3.36Å; V196-L200 WeakPolarHBondContact O-CG 3.35Å; V196-L200 PolarHBondContact O-N 2.81Å
197R82.1Confident83.7Confident116 Ų11659.1 Ų59.144%0.43833%0.331SS..Hα-helixtrans-57.9-48.2176.3-166.4-179.9-179.8110.9-0.1111.3V192 D193 A195 R199 L201V192-R197 HydrophobicContact CG1-CB 4.29Å; D193-R197 VanDerWaalsContact O-CB 3.23Å; D193-R197 WeakPolarHBondContact O-CB 3.22Å; D193-R197 PolarHBondContact O-N 3.38Å; A195-R197 VanDerWaalsContact C-N 3.34Å; R197-R199 PolarHBondContact O-N 3.06Å; R197-L201 HydrophobicContact CG-CD1 3.51Å; R197-L201 HydrophobicContact CG-CG 4.21Å; R197-L201 WeakPolarHBondContact O-CA 3.3Å; R197-L201 WeakPolarHBondContact O-CB 3.37Å; R197-L201 WeakPolarHBondContact O-CG 3.38Å; R197-L201 PolarHBondContact O-N 2.69Å
198T82.6Confident83.5Confident93 Ų9363.4 Ų63.457%0.57135%0.35SS*.Hα-helixtrans-64.5-39.3178.7-56.80000111.8Q194 A195 V196 G202Q194-T198 WeakPolarHBondContact O-CB 3.46Å; Q194-T198 PolarHBondContact O-N 3.08Å; Q194-T198 PolarHBondContact O-OG1 2.97Å; A195-T198 PolarHBondContact O-N 3.46Å; V196-T198 PolarHBondContact O-N 2.93Å; T198-G202 WeakPolarHBondContact O-CA 3.47Å; T198-G202 PolarHBondContact O-N 3.26Å
199R79.3Confident83.4Confident164 Ų16467.8 Ų67.862%0.61937%0.37SS*.Hα-helixtrans-73.1-41.8-178.7-179179.6175.4172.1-1.3113.1H173 A195 V196 R197H173-R199 PolarHBondContact CD2-NH1 2.92Å; H173-R199 PolarHBondContact CE1-NH1 3.14Å; H173-R199 VanDerWaalsContact CE1-NH1 3.32Å; H173-R199 PolarHBondContact NE2-NH1 2.87Å; H173-R199 PolarHBondContact NE2-NH2 3.35Å; A195-R199 WeakPolarHBondContact O-CB 3.14Å; A195-R199 PolarHBondContact O-N 3.49Å; V196-R199 PolarHBondContact O-N 3.49Å; R197-R199 PolarHBondContact O-N 3.06Å
200L74.6Confident83.3Confident19 Ų1971.4 Ų71.410%0.09938%0.383CS..Hα-helixtrans-80.4-40.5-176.9-67.3178.3000111.5R139 I142 M190 V196R139-L200 HydrophobicContact CG-CD2 4.45Å; R139-L200 PolarHBondContact NH2-O 3.2Å; I142-L200 HydrophobicContact CG2-CD1 3.61Å; M190-L200 HydrophobicContact CE-CD1 4.4Å; V196-L200 HydrophobicContact CG1-CD1 3.54Å; V196-L200 HydrophobicContact CG1-CG 4.19Å; V196-L200 WeakPolarHBondContact O-CB 3.36Å; V196-L200 WeakPolarHBondContact O-CG 3.35Å; V196-L200 PolarHBondContact O-N 2.81Å
201L71.9Confident83.3Confident27 Ų2776.5 Ų76.514%0.14141%0.407CS..Hα-helixtrans-102-5.9-175.2-44.9-177.3000114.2C143 V146 T147 R197 D203 M204C143-L201 HydrophobicContact CB-CD2 3.7Å; C143-L201 WeakPolarHBondContact SG-CD2 3.32Å; V146-L201 HydrophobicContact CG1-CD1 3.95Å; T147-L201 HydrophobicContact CG2-CD1 3.88Å; T147-L201 HydrophobicContact CG2-CD2 4.17Å; R197-L201 HydrophobicContact CG-CD1 3.51Å; R197-L201 HydrophobicContact CG-CG 4.21Å; R197-L201 WeakPolarHBondContact O-CA 3.3Å; R197-L201 WeakPolarHBondContact O-CB 3.37Å; R197-L201 WeakPolarHBondContact O-CG 3.38Å; R197-L201 PolarHBondContact O-N 2.69Å; L201-D203 PolarHBondContact O-N 3.15Å; L201-M204 HydrophobicContact CB-CG 4.43Å; L201-M204 HydrophobicContact CB-SD 3.94Å; L201-M204 HydrophobicContact CD2-SD 3.72Å; L201-M204 HydrophobicContact CG-SD 4.43Å; L201-M204 WeakPolarHBondContact O-CG 3.39Å
202G67.4Low83.3Confident61 Ų6172.8 Ų72.863%0.62938%0.383SS*.SBendtrans-66.6-22.9-174.300000114.2T198T198-G202 WeakPolarHBondContact O-CA 3.47Å; T198-G202 PolarHBondContact O-N 3.26Å
203D64.3Low83.4Confident97 Ų9777 Ų7752%0.51940%0.397SS..  trans-12893.4165.8178.811.7000107.3R139 L201 A205 F206R139-D203 PolarHBondContact NH2-O 3.15Å; R139-D203 VanDerWaalsContact NH2-O 3.17Å; L201-D203 PolarHBondContact O-N 3.15Å; D203-A205 VanDerWaalsContact C-N 3.26Å; D203-A205 WeakPolarHBondContact OD1-CB 3.46Å; D203-A205 PolarHBondContact OD1-N 3.28Å; D203-F206 WeakPolarHBondContact O-CD1 3.22Å
204M68.9Low83.6Confident69 Ų6979.6 Ų79.634%0.3441%0.405SS..G310 helixtrans-79.6-4.5173.7-70.8-63.9-73.800112.4C143 L201 F206 M207C143-M204 HydrophobicContact CB-CE 4.36Å; C143-M204 HydrophobicContact CB-SD 4.43Å; L201-M204 HydrophobicContact CB-CG 4.43Å; L201-M204 HydrophobicContact CB-SD 3.94Å; L201-M204 HydrophobicContact CD2-SD 3.72Å; L201-M204 HydrophobicContact CG-SD 4.43Å; L201-M204 WeakPolarHBondContact O-CG 3.39Å; M204-F206 PolarHBondContact O-N 3.09Å; M204-F206 HydrophobicContact SD-CE1 4.33Å; M204-M207 HydrophobicContact CE-CE 4.01Å; M204-M207 PolarHBondContact O-N 2.92Å; M204-M207 VanDerWaalsContact O-N 3.14Å; M204-M207 VanDerWaalsContact O-O 3.08Å
205A76.2Confident83.9Confident83 Ų8374.4 Ų74.469%0.68638%0.381SS*.G310 helixtrans-66.3-12.3-177.400000113.1D203 M207D203-A205 VanDerWaalsContact C-N 3.26Å; D203-A205 WeakPolarHBondContact OD1-CB 3.46Å; D203-A205 PolarHBondContact OD1-N 3.28Å; A205-M207 VanDerWaalsContact C-N 3.26Å; A205-M207 PolarHBondContact O-N 3.02Å
206F86.3Confident84.3Confident43 Ų4374.4 Ų74.419%0.18937%0.367CS..G310 helixtrans-71.8-15.4175.182.5-75.9000114.4R139 M140 C143 D203 M204R139-F206 HydrophobicContact CB-CE2 4.38Å; R139-F206 HydrophobicContact CG-CE2 3.82Å; R139-F206 HydrophobicContact CG-CZ 3.8Å; M140-F206 HydrophobicContact CG-CD2 4.48Å; M140-F206 HydrophobicContact CG-CE2 3.81Å; C143-F206 HydrophobicContact CB-CZ 4.38Å; D203-F206 WeakPolarHBondContact O-CD1 3.22Å; M204-F206 PolarHBondContact O-N 3.09Å; M204-F206 HydrophobicContact SD-CE1 4.33Å
207M93.7Very high84.7Confident18 Ų1876.4 Ų76.49%0.08938%0.377CS..  trans-135.5127.5-176.6-176.2177.87600110.6L24 E25 M140 C143 M204 A205L24-M207 HydrophobicContact CB-CG 4.31Å; L24-M207 HydrophobicContact CB-SD 4.15Å; L24-M207 HydrophobicContact CD1-SD 4.14Å; L24-M207 HydrophobicContact CD2-CE 4.36Å; L24-M207 HydrophobicContact CD2-SD 4.24Å; L24-M207 HydrophobicContact CG-SD 4.42Å; E25-M207 WeakPolarHBondContact O-CA 3.47Å; M140-M207 HydrophobicContact CB-SD 3.66Å; M140-M207 HydrophobicContact CE-CG 4.09Å; M140-M207 HydrophobicContact CE-SD 4.18Å; M140-M207 HydrophobicContact CG-CG 4.28Å; M140-M207 HydrophobicContact CG-SD 3.8Å; C143-M207 HydrophobicContact CB-CE 4.14Å; M204-M207 HydrophobicContact CE-CE 4.01Å; M204-M207 PolarHBondContact O-N 2.92Å; M204-M207 VanDerWaalsContact O-N 3.14Å; M204-M207 VanDerWaalsContact O-O 3.08Å; A205-M207 VanDerWaalsContact C-N 3.26Å; A205-M207 PolarHBondContact O-N 3.02Å
208Q94.8Very high84.9Confident110 Ų11073.5 Ų73.551%0.51438%0.375SS..EExtended strand (participates in β ladder)trans-110.4138.7175-62.5178.636.500110L24 E25L24-Q208 CarbonylContact C-O 3.54Å; L24-Q208 WeakPolarHBondContact CA-O 3.33Å; E25-Q208 HydrophobicContact CB-CB 4.42Å; E25-Q208 PolarHBondContact N-O 3.06Å; E25-Q208 PolarHBondContact O-N 3.19Å
209E95.3Very high85.2Confident92 Ų9270.6 Ų70.643%0.4335%0.353SS..EExtended strand (participates in β ladder)trans-104.6132.6174.6-172.4177.4144.400109.2T22 L23 L24 K148T22-E209 HydrophobicContact CG2-CG 4.06Å; L23-E209 CarbonylContact O-C 3.53Å; L23-E209 WeakPolarHBondContact O-CA 3.39Å; L24-E209 HydrophobicContact CD2-CB 4.1Å; L24-E209 HydrophobicContact CD2-CG 3.96Å; K148-E209 WeakPolarHBondContact CE-OE2 3.5Å; K148-E209 IonicContact NZ-OE1 3.12Å; K148-E209 PolarHBondContact NZ-OE1 3.23Å; K148-E209 IonicContact NZ-OE2 2.91Å; K148-E209 PolarHBondContact NZ-OE2 3.42Å
210R95.6Very high85.2Confident79 Ų7968.2 Ų68.230%0.29835%0.349SS..EExtended strand (participates in β ladder)trans-137.3166.1178.3-70.4-176.3-73.1175.7-7.6111.1L23 E25 Y212 D215L23-R210 HydrophobicContact CB-CB 4.44Å; L23-R210 HydrophobicContact CD2-CB 4.31Å; L23-R210 PolarHBondContact N-O 2.9Å; L23-R210 PolarHBondContact O-N 3.47Å; E25-R210 IonicContact OE2-CZ 3.61Å; E25-R210 IonicContact OE2-NH2 2.6Å; E25-R210 PolarHBondContact OE2-NH2 2.95Å; R210-Y212 PolarHBondContact O-N 2.67Å; R210-D215 IonicContact CZ-OD1 3.44Å; R210-D215 IonicContact CZ-OD2 3.98Å; R210-D215 IonicContact NE-OD1 3.97Å; R210-D215 IonicContact NE-OD2 3.76Å; R210-D215 IonicContact NH1-OD1 2.8Å; R210-D215 PolarHBondContact NH1-OD1 2.85Å; R210-D215 IonicContact NH1-OD2 3.85Å
211E95.8Very high85.5Confident116 Ų11673.9 Ų73.954%0.54238%0.375SS..EExtended strand (participates in β ladder)trans-75.9111.3172.8-67.1172.5170.900109.7D21 R213 K214 D215D21-E211 WeakPolarHBondContact O-CA 3.37Å; E211-R213 PolarHBondContact O-N 3.25Å; E211-K214 HydrophobicContact CB-CB 4.01Å; E211-K214 PolarHBondContact O-N 3.32Å; E211-D215 PolarHBondContact O-N 2.92Å
212Y96.3Very high85.6Confident5 Ų575.4 Ų75.42%0.0239%0.385CS..Hα-helixtrans-59.7-45.6-175.8167.9-111.6000112.5D21 L23 V32 P33 N35 E96 R210 K214 D215 R216D21-Y212 PolarHBondContact O-N 3.14Å; D21-Y212 PolarHBondContact OD1-N 3.23Å; D21-Y212 VanDerWaalsContact OD1-N 3.16Å; L23-Y212 HydrophobicContact CD1-CD2 4.38Å; V32-Y212 HydrophobicContact CB-CD2 3.89Å; V32-Y212 HydrophobicContact CB-CE2 3.63Å; V32-Y212 HydrophobicContact CG1-CD2 3.77Å; V32-Y212 HydrophobicContact CG1-CE2 3.67Å; V32-Y212 HydrophobicContact CG2-CE2 4.5Å; P33-Y212 VanDerWaalsContact CD-CG 3.48Å; P33-Y212 HydrophobicContact CG-CD1 3.8Å; P33-Y212 HydrophobicContact CG-CE1 4.32Å; P33-Y212 HydrophobicContact CG-CG 3.99Å; N35-Y212 VanDerWaalsContact ND2-CE1 3.29Å; N35-Y212 WeakPolarHBondContact ND2-CE1 3.44Å; N35-Y212 PolarHBondContact ND2-OH 3.22Å; E96-Y212 VanDerWaalsContact CD-OH 3.23Å; E96-Y212 PolarHBondContact OE1-OH 3.3Å; E96-Y212 PolarHBondContact OE2-OH 3.23Å; R210-Y212 PolarHBondContact O-N 2.67Å; Y212-K214 VanDerWaalsContact C-N 3.3Å; Y212-K214 PolarHBondContact O-N 3.3Å; Y212-D215 PolarHBondContact O-N 3.1Å; Y212-R216 HydrophobicContact CE2-CB 4.35Å; Y212-R216 WeakPolarHBondContact O-CB 3.26Å; Y212-R216 PolarHBondContact O-N 2.91Å
213R93.8Very high85.7Confident102 Ų10274.5 Ų74.539%0.38537%0.368SS..Hα-helixtrans-58.8-43.3-179.1-70172-163.4141.2-5.2111.2E20 D21 E211 R216 D217E20-R213 IonicContact OE1-CZ 2.92Å; E20-R213 IonicContact OE1-NH2 3.25Å; E20-R213 PolarHBondContact OE1-NH2 2.95Å; D21-R213 WeakPolarHBondContact OD1-CB 3.35Å; D21-R213 WeakPolarHBondContact OD1-CG 3.3Å; D21-R213 PolarHBondContact OD1-N 3.46Å; D21-R213 WeakPolarHBondContact OD2-CD 3.34Å; D21-R213 IonicContact OD2-CZ 3.62Å; D21-R213 IonicContact OD2-NE 3.98Å; D21-R213 IonicContact OD2-NH1 3.76Å; D21-R213 PolarHBondContact OD2-NH1 3.48Å; E211-R213 PolarHBondContact O-N 3.25Å; R213-R216 PolarHBondContact O-N 3Å; R213-D217 WeakPolarHBondContact O-CB 3.32Å; R213-D217 PolarHBondContact O-N 3.2Å
214K92.1Very high85.9Confident144 Ų14473 Ų7363%0.62637%0.365SS*.Hα-helixtrans-63.1-46.8179.6-174.6-180180178.90112.1E211 Y212 S218E211-K214 HydrophobicContact CB-CB 4.01Å; E211-K214 PolarHBondContact O-N 3.32Å; Y212-K214 VanDerWaalsContact C-N 3.3Å; Y212-K214 PolarHBondContact O-N 3.3Å; K214-S218 WeakPolarHBondContact O-CB 3.43Å; K214-S218 PolarHBondContact O-N 3.04Å; K214-S218 VanDerWaalsContact O-N 3.12Å; K214-S218 PolarHBondContact O-OG 3.35Å
215D91.3Very high85.6Confident32 Ų3272.7 Ų72.717%0.17137%0.369CS..Hα-helixtrans-63.9-43.5176.4-85.7-90.6000110.8L23 R210 E211 Y212 S218 R219L23-D215 HydrophobicContact CD1-CB 4.02Å; R210-D215 IonicContact CZ-OD1 3.44Å; R210-D215 IonicContact CZ-OD2 3.98Å; R210-D215 IonicContact NE-OD1 3.97Å; R210-D215 IonicContact NE-OD2 3.76Å; R210-D215 IonicContact NH1-OD1 2.8Å; R210-D215 PolarHBondContact NH1-OD1 2.85Å; R210-D215 IonicContact NH1-OD2 3.85Å; E211-D215 PolarHBondContact O-N 2.92Å; Y212-D215 PolarHBondContact O-N 3.1Å; D215-S218 PolarHBondContact O-N 3.18Å; D215-S218 PolarHBondContact O-OG 3.31Å; D215-R219 WeakPolarHBondContact O-CG 3.41Å; D215-R219 PolarHBondContact O-N 3.07Å
216R89Confident84.8Confident68 Ų6875 Ų7526%0.25737%0.365SS..Hα-helixtrans-61.9-48.7178.4-171.9-168.166.9-177.4-1.5112.5Y212 R213 S218 R219 Q220Y212-R216 HydrophobicContact CE2-CB 4.35Å; Y212-R216 WeakPolarHBondContact O-CB 3.26Å; Y212-R216 PolarHBondContact O-N 2.91Å; R213-R216 PolarHBondContact O-N 3Å; R216-S218 VanDerWaalsContact C-N 3.33Å; R216-S218 PolarHBondContact O-N 3Å; R216-R219 WeakPolarHBondContact O-CB 3.33Å; R216-R219 PolarHBondContact O-N 3.28Å; R216-Q220 PolarHBondContact O-N 2.73Å
217D87.9Confident83.4Confident67 Ų6777 Ų7736%0.35839%0.39SS..Hα-helixtrans-65.4-39.8-177.2-63-9.1000110.5R213 R219 Q220 E221R213-D217 WeakPolarHBondContact O-CB 3.32Å; R213-D217 PolarHBondContact O-N 3.2Å; D217-R219 PolarHBondContact O-N 3.02Å; D217-Q220 PolarHBondContact O-N 3.26Å; D217-Q220 VanDerWaalsContact O-N 3.08Å; D217-E221 PolarHBondContact O-N 3.01Å
218S86.4Confident81.4Confident55 Ų5581.9 Ų81.939%0.38542%0.421SS..Hα-helixtrans-59.8-32.4175.875.40000113.4K214 D215 R216 V222K214-S218 WeakPolarHBondContact O-CB 3.43Å; K214-S218 PolarHBondContact O-N 3.04Å; K214-S218 VanDerWaalsContact O-N 3.12Å; K214-S218 PolarHBondContact O-OG 3.35Å; D215-S218 PolarHBondContact O-N 3.18Å; D215-S218 PolarHBondContact O-OG 3.31Å; R216-S218 VanDerWaalsContact C-N 3.33Å; R216-S218 PolarHBondContact O-N 3Å; S218-V222 WeakPolarHBondContact O-CG2 3.18Å; S218-V222 PolarHBondContact O-N 2.7Å
219R88.8Confident79Confident32 Ų3286.7 Ų86.712%0.12145%0.449CS..Hα-helixtrans-72-37.3176-65.8170.760.766.4-2.9112W89 D91 V94 D215 R216 D217 V222 T223W89-R219 PolarHBondContact O-NH1 2.84Å; W89-R219 PolarHBondContact O-NH2 3.16Å; D91-R219 PolarHBondContact O-NH2 3.3Å; V94-R219 PolarHBondContact O-NH2 3.37Å; D215-R219 WeakPolarHBondContact O-CG 3.41Å; D215-R219 PolarHBondContact O-N 3.07Å; R216-R219 WeakPolarHBondContact O-CB 3.33Å; R216-R219 PolarHBondContact O-N 3.28Å; D217-R219 PolarHBondContact O-N 3.02Å; R219-V222 PolarHBondContact O-N 3.41Å; R219-T223 PolarHBondContact O-N 3.15Å; R219-T223 PolarHBondContact O-OG1 2.83Å
220Q79.9Confident78.2Confident113 Ų11386.4 Ų86.453%0.52845%0.45SS..Hα-helixtrans-69.8-34.5177.6-66.8-177.3-8.800112R216 D217 T223 S224R216-Q220 PolarHBondContact O-N 2.73Å; D217-Q220 PolarHBondContact O-N 3.26Å; D217-Q220 VanDerWaalsContact O-N 3.08Å; Q220-T223 WeakPolarHBondContact CA-OG1 3.48Å; Q220-T223 PolarHBondContact O-OG1 2.86Å; Q220-S224 WeakPolarHBondContact O-CB 3.29Å; Q220-S224 PolarHBondContact O-N 3.3Å; Q220-S224 PolarHBondContact O-OG 3.13Å
221E79.7Confident77.3Confident139 Ų13986.8 Ų86.865%0.6546%0.458SS*.Hα-helixtrans-63.7-43173.2-71.4-178.2174.300112.2D217 T223 S224 S225D217-E221 PolarHBondContact O-N 3.01Å; E221-T223 PolarHBondContact O-N 3.14Å; E221-S224 WeakPolarHBondContact CA-OG 3.45Å; E221-S224 PolarHBondContact O-N 3.29Å; E221-S224 PolarHBondContact O-OG 3.41Å; E221-S225 PolarHBondContact O-N 3.24Å; E221-S225 VanDerWaalsContact O-N 3.08Å
222V74.9Confident76.2Confident59 Ų5985.2 Ų85.236%0.35845%0.453SS..Hα-helixtrans-64-44178.31760000111.3P92 S218 R219 S225 H226P92-V222 HydrophobicContact CB-CB 4.1Å; P92-V222 HydrophobicContact CB-CG1 3.96Å; P92-V222 HydrophobicContact CG-CB 4.32Å; P92-V222 HydrophobicContact CG-CG1 3.64Å; S218-V222 WeakPolarHBondContact O-CG2 3.18Å; S218-V222 PolarHBondContact O-N 2.7Å; R219-V222 PolarHBondContact O-N 3.41Å; V222-S225 PolarHBondContact O-N 2.6Å; V222-S225 PolarHBondContact O-OG 2.95Å; V222-H226 PolarHBondContact O-N 3.32Å
223T69.8Low75.1Confident42 Ų4289.9 Ų89.926%0.25848%0.479SS..Hα-helixtrans-65.2-4217947.40000113.1P92 R219 Q220 E221 S225 H226 A227P92-T223 VanDerWaalsContact C-CG2 3.49Å; P92-T223 HydrophobicContact CB-CG2 4.24Å; P92-T223 WeakPolarHBondContact O-CG2 3.41Å; R219-T223 PolarHBondContact O-N 3.15Å; R219-T223 PolarHBondContact O-OG1 2.83Å; Q220-T223 WeakPolarHBondContact CA-OG1 3.48Å; Q220-T223 PolarHBondContact O-OG1 2.86Å; E221-T223 PolarHBondContact O-N 3.14Å; T223-S225 VanDerWaalsContact C-N 3.33Å; T223-S225 PolarHBondContact O-N 3.1Å; T223-H226 PolarHBondContact O-N 3.09Å; T223-A227 PolarHBondContact O-N 3.37Å; T223-A227 VanDerWaalsContact O-N 3.14Å
224S67.4Low73.9Confident65 Ų6589.1 Ų89.146%0.45549%0.485SS..Hα-helixtrans-65.3-34.8177.155.90000112.8Q220 E221 H226 A227 T228Q220-S224 WeakPolarHBondContact O-CB 3.29Å; Q220-S224 PolarHBondContact O-N 3.3Å; Q220-S224 PolarHBondContact O-OG 3.13Å; E221-S224 WeakPolarHBondContact CA-OG 3.45Å; E221-S224 PolarHBondContact O-N 3.29Å; E221-S224 PolarHBondContact O-OG 3.41Å; S224-H226 VanDerWaalsContact C-N 3.32Å; S224-H226 PolarHBondContact O-N 3.24Å; S224-A227 PolarHBondContact O-N 3.31Å; S224-T228 PolarHBondContact O-OG1 3Å
225S63.3Low72.7Confident62 Ų6285.5 Ų85.543%0.43448%0.475SS..Hα-helixtrans-66.6-30.5175.676.60000113.6E221 V222 T223E221-S225 PolarHBondContact O-N 3.24Å; E221-S225 VanDerWaalsContact O-N 3.08Å; V222-S225 PolarHBondContact O-N 2.6Å; V222-S225 PolarHBondContact O-OG 2.95Å; T223-S225 VanDerWaalsContact C-N 3.33Å; T223-S225 PolarHBondContact O-N 3.1Å
226H59.1Low71.3Confident131 Ų13189.3 Ų89.361%0.60650%0.497SS*.Hα-helixtrans-85.8-19.2177.3-71.7-17.4000114.1V222 T223 S224 T228V222-H226 PolarHBondContact O-N 3.32Å; T223-H226 PolarHBondContact O-N 3.09Å; S224-H226 VanDerWaalsContact C-N 3.32Å; S224-H226 PolarHBondContact O-N 3.24Å; H226-T228 VanDerWaalsContact C-N 3.31Å
227A57.3Low70Confident85 Ų8590.9 Ų90.970%0.70252%0.515SS*.THydrogen-bonded Turntrans-80.9-9.3175.100000113.8T223 S224T223-A227 PolarHBondContact O-N 3.37Å; T223-A227 VanDerWaalsContact O-N 3.14Å; S224-A227 PolarHBondContact O-N 3.31Å
228T51.8Low68.5Low121 Ų12192.9 Ų92.974%0.74253%0.529SS*.THydrogen-bonded Turntrans-103.97.8-174-44.20000113.2S224 H226S224-T228 PolarHBondContact O-OG1 3Å; H226-T228 VanDerWaalsContact C-N 3.31Å
229L43.6Very low66.9Low211 Ų21196.4 Ų96.4100%1.10554%0.542SS*.  trans-1160176.6-72.9168.1000110.6

Retrieved 229 of 229 residues in 211.8 ms (Link to these results)

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