A0A087XVD5_POEFO Loading...

Tubulin folding cofactor B

AlphaFold DB , UniProt , Accession A0A087XVD5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 246 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
1M41.9Very low60.9Low241 Ų241124.8 Ų124.8100%1.18772%0.722SS**  083.60-81.9178.7175.300105.3G3M1-G3 PolarHBondContact O-N 3.41Å
2D44.9Very low63.5Low167 Ų167121 Ų12189%0.89369%0.691SS**  trans-82.5100.8179.3-61.5-43.1000106.9E4D2-E4 PolarHBondContact O-N 2.94Å; D2-E4 VanDerWaalsContact O-N 3.07Å
3G51.1Low65.8Low69 Ų69111.8 Ų111.871%0.71164%0.638SS**  trans-67.5103.4175.700000109M1 V5M1-G3 PolarHBondContact O-N 3.41Å; G3-V5 PolarHBondContact O-N 3.31Å
4E57.7Low67.8Low179 Ų179107.8 Ų107.884%0.83661%0.614SS**  trans-67.4100.8172.9-163.5174.5-164.200108.6D2 T6D2-E4 PolarHBondContact O-N 2.94Å; D2-E4 VanDerWaalsContact O-N 3.07Å; E4-T6 PolarHBondContact O-N 3.37Å; E4-T6 VanDerWaalsContact O-N 3.1Å
5V59.6Low69.6Low126 Ų126100.6 Ų100.676%0.76457%0.573SS**  trans-74.799.9178.1179.40000108.4G3 V7G3-V5 PolarHBondContact O-N 3.31Å; V5-V7 HydrophobicContact CG1-CG2 4.06Å; V5-V7 PolarHBondContact O-N 3.21Å
6T55.8Low71.2Confident113 Ų11396.3 Ų96.369%0.69355%0.545SS*.  trans-83.1100173.7-24.90000109.5E4 V8E4-T6 PolarHBondContact O-N 3.37Å; E4-T6 VanDerWaalsContact O-N 3.1Å; T6-V8 PolarHBondContact O-N 3.21Å
7V60.2Low72.6Confident111 Ų11190.9 Ų90.967%0.67351%0.514SS*.  trans-78.799.8173.4-173.10000108.7V5 T9V5-V7 HydrophobicContact CG1-CG2 4.06Å; V5-V7 PolarHBondContact O-N 3.21Å; V7-T9 HydrophobicContact CG1-CG2 3.81Å; V7-T9 PolarHBondContact O-N 2.8Å
8V61.4Low73.7Confident134 Ų13487 Ų8781%0.81249%0.492SS*.  trans-80.685.3176.4-174.90000109.1T6T6-V8 PolarHBondContact O-N 3.21Å
9T68.1Low74.6Confident86 Ų8682.9 Ų82.953%0.52847%0.47SS..  trans-81.6150169.360.60000110.7V7V7-T9 HydrophobicContact CG1-CG2 3.81Å; V7-T9 PolarHBondContact O-N 2.8Å
10N80.7Confident75.2Confident97 Ų9781.8 Ų81.852%0.51947%0.468SS..  trans-52.1126.6173.3-173-11.4000110.2F12N10-F12 PolarHBondContact O-N 2.95Å; N10-F12 VanDerWaalsContact O-N 3.13Å; N10-F12 PolarHBondContact OD1-N 3.12Å; N10-F12 VanDerWaalsContact OD1-N 3.11Å
11P88.1Confident75.5Confident50 Ų5078.9 Ų78.933%0.32545%0.451SS..SBendtrans-68.3-9.4-179.126.2-34.3000113N31 K32P11-N31 CarbonylContact O-C 3.45Å; P11-N31 WeakPolarHBondContact O-CA 3.34Å; P11-N31 PolarHBondContact O-OD1 2.78Å; P11-K32 PolarHBondContact O-N 2.87Å
12F92.1Very high77.2Confident79 Ų7969 Ų6935%0.34641%0.405SS..EExtended strand (participates in β ladder)trans-114.7153.4174.9-62.1-92.1000111.8N10 R29 F30 N31N10-F12 PolarHBondContact O-N 2.95Å; N10-F12 VanDerWaalsContact O-N 3.13Å; N10-F12 PolarHBondContact OD1-N 3.12Å; N10-F12 VanDerWaalsContact OD1-N 3.11Å; F12-R29 HydrophobicContact CB-CG 4.06Å; F12-R29 HydrophobicContact CD1-CG 4.31Å; F12-F30 CarbonylContact C-O 3.58Å; F12-F30 VanDerWaalsContact CA-O 3.23Å; F12-F30 WeakPolarHBondContact CA-O 3.28Å; F12-N31 HydrophobicContact CD1-CB 3.93Å; F12-N31 HydrophobicContact CE1-CB 3.73Å; F12-N31 HydrophobicContact CZ-CB 4.43Å
13V93.4Very high79Confident1 Ų166.8 Ų66.81%0.00640%0.402CS..EExtended strand (participates in β ladder)trans-137.7136.7175610000109.6V15 R29 F30 K32 F76 D82V13-V15 HydrophobicContact CG1-CG1 4.01Å; V13-V15 HydrophobicContact CG2-CG1 4.07Å; V13-R29 WeakPolarHBondContact O-CA 3.34Å; V13-F30 PolarHBondContact N-O 2.91Å; V13-F30 PolarHBondContact O-N 2.63Å; V13-K32 HydrophobicContact CB-CG 4.47Å; V13-K32 HydrophobicContact CG1-CG 4.1Å; V13-F76 HydrophobicContact CG1-CD1 4.3Å; V13-F76 HydrophobicContact CG1-CE1 3.45Å; V13-F76 VanDerWaalsContact CG1-CE1 3.45Å; V13-F76 HydrophobicContact CG1-CZ 4.23Å; V13-D82 WeakPolarHBondContact CG2-O 3.33Å
14N94.5Very high80.5Confident56 Ų5669.9 Ų69.930%0.29940%0.397SS..EExtended strand (participates in β ladder)trans-87.2130.1169.7-53.3-70.8000108.2R28 R29 D83 E84N14-R28 CarbonylContact C-O 3.59Å; N14-R28 WeakPolarHBondContact CA-O 3.49Å; N14-R29 WeakPolarHBondContact OD1-CB 3.48Å; N14-R29 WeakPolarHBondContact OD1-CG 3.27Å; N14-D83 VanDerWaalsContact CB-OD1 3.28Å; N14-D83 WeakPolarHBondContact CB-OD1 3.39Å; N14-D83 PolarHBondContact N-OD1 2.91Å; N14-D83 PolarHBondContact ND2-OD1 3.41Å; N14-E84 PolarHBondContact O-N 3.24Å
15V94.5Very high82Confident0 Ų065.4 Ų65.40%038%0.376CS..EExtended strand (participates in β ladder)trans-129.5147.3-178.2-56.40000110.4V13 I17 R27 R28 F30 F76 C85 I87V13-V15 HydrophobicContact CG1-CG1 4.01Å; V13-V15 HydrophobicContact CG2-CG1 4.07Å; V15-I17 HydrophobicContact CG2-CG1 4.24Å; V15-R27 WeakPolarHBondContact O-CA 3.16Å; V15-R28 PolarHBondContact N-O 2.65Å; V15-R28 PolarHBondContact O-N 3.42Å; V15-F30 HydrophobicContact CG2-CD2 3.46Å; V15-F30 VanDerWaalsContact CG2-CD2 3.46Å; V15-F30 HydrophobicContact CG2-CE2 3.52Å; V15-F76 HydrophobicContact CG1-CZ 4.17Å; V15-C85 WeakPolarHBondContact CA-O 3.45Å; V15-I87 HydrophobicContact CB-CD1 4.13Å; V15-I87 HydrophobicContact CB-CG1 4.28Å; V15-I87 HydrophobicContact CG1-CD1 4.23Å; V15-I87 HydrophobicContact CG2-CD1 3.84Å; V15-I87 HydrophobicContact CG2-CG1 4.38Å
16R95.3Very high83.4Confident32 Ų3262.3 Ų62.312%0.12136%0.355CS..EExtended strand (participates in β ladder)trans-89.3120171.2-66-178.1-70.8160.1-1.5108.4E25 N26 R27 T61 D63 E84 C85 R86 I87R16-E25 HydrophobicContact CB-CG 4.07Å; R16-E25 WeakPolarHBondContact CD-OE1 3.5Å; R16-E25 HydrophobicContact CG-CG 4.49Å; R16-E25 IonicContact NH1-OE2 2.79Å; R16-N26 CarbonylContact C-O 3.53Å; R16-R27 HydrophobicContact CG-CG 4.18Å; R16-T61 PolarHBondContact NH2-O 3.01Å; R16-D63 IonicContact NH2-OD1 2.94Å; R16-E84 PolarHBondContact NE-O 3.48Å; R16-E84 PolarHBondContact NH2-O 2.75Å; R16-C85 PolarHBondContact N-O 3.23Å; R16-R86 HydrophobicContact CB-CB 4.24Å; R16-R86 HydrophobicContact CB-CG 4.39Å; R16-R86 CarbonylContact O-C 3.57Å; R16-R86 VanDerWaalsContact O-CA 3.23Å; R16-R86 WeakPolarHBondContact O-CA 3.37Å; R16-I87 PolarHBondContact O-N 2.94Å
17I94.5Very high85.3Confident4 Ų464 Ų642%0.02135%0.349CS..EExtended strand (participates in β ladder)trans-99128.3178-56.9162.6000107.7V15 E25 N26 R28 F30 L43 V47 I87 V89V15-I17 HydrophobicContact CG2-CG1 4.24Å; I17-E25 WeakPolarHBondContact O-CA 3.38Å; I17-N26 PolarHBondContact N-O 3.2Å; I17-N26 PolarHBondContact O-N 3.13Å; I17-R28 HydrophobicContact CD1-CB 3.64Å; I17-R28 HydrophobicContact CD1-CG 3.41Å; I17-R28 VanDerWaalsContact CD1-CG 3.41Å; I17-F30 HydrophobicContact CD1-CE2 3.94Å; I17-F30 HydrophobicContact CD1-CZ 4.02Å; I17-F30 HydrophobicContact CG1-CE2 4.44Å; I17-L43 HydrophobicContact CD1-CD2 3.41Å; I17-L43 VanDerWaalsContact CD1-CD2 3.41Å; I17-L43 HydrophobicContact CG1-CD2 3.83Å; I17-L43 HydrophobicContact CG2-CD2 3.99Å; I17-V47 HydrophobicContact CG2-CG2 3.76Å; I17-I87 WeakPolarHBondContact CA-O 3.26Å; I17-V89 HydrophobicContact CG2-CG2 4.07Å
18T93.4Very high86.8Confident21 Ų2163.7 Ų63.713%0.12934%0.336CS..EExtended strand (participates in β ladder)trans-127.8160.2172.454.50000109.3E25 R86 I87 H88 V89T18-E25 HydrophobicContact CG2-CB 4.24Å; T18-E25 HydrophobicContact CG2-CG 4.03Å; T18-R86 HydrophobicContact CG2-CG 4.05Å; T18-I87 PolarHBondContact N-O 3.26Å; T18-I87 PolarHBondContact OG1-O 2.87Å; T18-H88 WeakPolarHBondContact OG1-CA 3.48Å; T18-H88 PolarHBondContact OG1-ND1 3.17Å; T18-V89 WeakPolarHBondContact O-CB 3.18Å; T18-V89 PolarHBondContact O-N 2.94Å
19S89.5Confident88.4Confident10 Ų1064.3 Ų64.37%0.0732%0.323CS..EExtended strand (participates in β ladder)trans-132.4153-177.8-178.60000111.1L21 S22 V47 V89S19-L21 PolarHBondContact O-N 2.98Å; S19-L21 PolarHBondContact OG-N 3.44Å; S19-L21 VanDerWaalsContact OG-N 3.08Å; S19-S22 VanDerWaalsContact O-O 3.05Å; S19-V47 VanDerWaalsContact CB-CG1 3.42Å; S19-V47 WeakPolarHBondContact OG-CG1 3.2Å; S19-V89 CarbonylContact C-O 3.52Å; S19-V89 WeakPolarHBondContact CA-O 3.46Å
20S86.8Confident89.7Confident60 Ų6061 Ų6142%0.4230%0.301SS..SBendtrans-68.1-16.8166.7610000113V89 D91S20-V89 PolarHBondContact N-O 3.38Å; S20-D91 PolarHBondContact OG-N 3.34Å; S20-D91 VanDerWaalsContact OG-N 3.12Å
21L81.6Confident90.3Very high21 Ų2158.6 Ų58.611%0.1129%0.288CS..SBendtrans-94.9-20.3-175.2-60.7173.6000114.1S19 V49 D91 T97 S98S19-L21 PolarHBondContact O-N 2.98Å; S19-L21 PolarHBondContact OG-N 3.44Å; S19-L21 VanDerWaalsContact OG-N 3.08Å; L21-V49 HydrophobicContact CD1-CG2 3.4Å; L21-D91 HydrophobicContact CD1-CB 3.97Å; L21-D91 HydrophobicContact CD2-CB 4.22Å; L21-D91 HydrophobicContact CG-CB 4.05Å; L21-T97 VanDerWaalsContact CD1-OG1 3.26Å; L21-T97 WeakPolarHBondContact CD1-OG1 3.26Å; L21-T97 WeakPolarHBondContact CD2-OG1 3.38Å; L21-S98 WeakPolarHBondContact O-CA 3.46Å
22S78.7Confident90.5Very high34 Ų3458.1 Ų58.124%0.23828%0.281CS..  trans-142.5147.1-175.172.20000111.6S19 F24S19-S22 VanDerWaalsContact O-O 3.05Å; S22-F24 PolarHBondContact O-N 2.71Å
23S81Confident90.6Very high119 Ų11963.3 Ų63.383%0.83230%0.299SS*.SBendtrans-80.8-2.3175.255.50000113.1
24F83.1Confident90.6Very high134 Ų13464.6 Ų64.659%0.58831%0.305SS*.  trans-79.5131.2-178-63.4-72.8000111.1S22 F101S22-F24 PolarHBondContact O-N 2.71Å; F24-F101 AromaticContact CE2-CD1 3.86Å; F24-F101 HydrophobicContact CE2-CD1 3.86Å; F24-F101 HydrophobicContact CE2-CE1 4.11Å; F24-F101 HydrophobicContact CE2-CG 4.5Å
25E90Very high90.7Very high85 Ų8563.8 Ų63.840%0.39730%0.302SS..  trans-96.5133.1169.7-175-177.2102.300109.6R16 I17 T18R16-E25 HydrophobicContact CB-CG 4.07Å; R16-E25 WeakPolarHBondContact CD-OE1 3.5Å; R16-E25 HydrophobicContact CG-CG 4.49Å; R16-E25 IonicContact NH1-OE2 2.79Å; I17-E25 WeakPolarHBondContact O-CA 3.38Å; T18-E25 HydrophobicContact CG2-CB 4.24Å; T18-E25 HydrophobicContact CG2-CG 4.03Å
26N89.7Confident90.8Very high62 Ų6263.8 Ų63.833%0.33230%0.302SS..EExtended strand (participates in β ladder)trans-119.2141.4174.9-162.5-83.1000111.2R16 I17 R28R16-N26 CarbonylContact C-O 3.53Å; I17-N26 PolarHBondContact N-O 3.2Å; I17-N26 PolarHBondContact O-N 3.13Å; N26-R28 WeakPolarHBondContact OD1-CG 3.22Å; N26-R28 PolarHBondContact OD1-NE 3.03Å; N26-R28 PolarHBondContact OD1-NH1 3.1Å
27R93.6Very high90.8Very high149 Ų14964.1 Ų64.156%0.56231%0.312SS*.EExtended strand (participates in β ladder)trans-101.8127.5174.5-63.6-172.5-171.9-168.85110.7V15 R16 E84V15-R27 WeakPolarHBondContact O-CA 3.16Å; R16-R27 HydrophobicContact CG-CG 4.18Å; R27-E84 IonicContact CZ-OE2 3.11Å; R27-E84 IonicContact NE-OE2 3.87Å; R27-E84 IonicContact NH1-OE2 2.8Å; R27-E84 PolarHBondContact NH1-OE2 3.4Å; R27-E84 IonicContact NH2-OE2 3.31Å
28R93.7Very high90.8Very high104 Ų10468 Ų6839%0.39233%0.33SS..EExtended strand (participates in β ladder)trans-136.3152177.7-68.6-64.6-175.2-119.14.6111.1N14 V15 I17 N26 F30 N46N14-R28 CarbonylContact C-O 3.59Å; N14-R28 WeakPolarHBondContact CA-O 3.49Å; V15-R28 PolarHBondContact N-O 2.65Å; V15-R28 PolarHBondContact O-N 3.42Å; I17-R28 HydrophobicContact CD1-CB 3.64Å; I17-R28 HydrophobicContact CD1-CG 3.41Å; I17-R28 VanDerWaalsContact CD1-CG 3.41Å; N26-R28 WeakPolarHBondContact OD1-CG 3.22Å; N26-R28 PolarHBondContact OD1-NE 3.03Å; N26-R28 PolarHBondContact OD1-NH1 3.1Å; R28-F30 HydrophobicContact CB-CD2 4.37Å; R28-F30 HydrophobicContact CB-CE2 3.61Å; R28-F30 HydrophobicContact CB-CZ 3.74Å; R28-F30 HydrophobicContact CG-CZ 4.36Å; R28-N46 PolarHBondContact NE-OD1 2.83Å; R28-N46 PolarHBondContact NH2-OD1 2.79Å; R28-N46 VanDerWaalsContact NH2-OD1 3.13Å
29R94.8Very high90.8Very high147 Ų14767 Ų6756%0.55532%0.324SS*.EExtended strand (participates in β ladder)trans-107.1124.7176.5-174.4175.3174.8178.8-0.5109.2F12 V13 N14F12-R29 HydrophobicContact CB-CG 4.06Å; F12-R29 HydrophobicContact CD1-CG 4.31Å; V13-R29 WeakPolarHBondContact O-CA 3.34Å; N14-R29 WeakPolarHBondContact OD1-CB 3.48Å; N14-R29 WeakPolarHBondContact OD1-CG 3.27Å
30F94.7Very high91.1Very high16 Ų1667.3 Ų67.37%0.0732%0.324CS..EExtended strand (participates in β ladder)trans-120.2153.7177.4-62.8-73.2000111.5F12 V13 V15 I17 R28 I34 L39 L42 L43 F76F12-F30 CarbonylContact C-O 3.58Å; F12-F30 VanDerWaalsContact CA-O 3.23Å; F12-F30 WeakPolarHBondContact CA-O 3.28Å; V13-F30 PolarHBondContact N-O 2.91Å; V13-F30 PolarHBondContact O-N 2.63Å; V15-F30 HydrophobicContact CG2-CD2 3.46Å; V15-F30 VanDerWaalsContact CG2-CD2 3.46Å; V15-F30 HydrophobicContact CG2-CE2 3.52Å; I17-F30 HydrophobicContact CD1-CE2 3.94Å; I17-F30 HydrophobicContact CD1-CZ 4.02Å; I17-F30 HydrophobicContact CG1-CE2 4.44Å; R28-F30 HydrophobicContact CB-CD2 4.37Å; R28-F30 HydrophobicContact CB-CE2 3.61Å; R28-F30 HydrophobicContact CB-CZ 3.74Å; R28-F30 HydrophobicContact CG-CZ 4.36Å; F30-I34 HydrophobicContact CB-CD1 4.24Å; F30-I34 HydrophobicContact CD1-CD1 4.26Å; F30-L39 HydrophobicContact CB-CD1 4.39Å; F30-L39 HydrophobicContact CD1-CD1 3.79Å; F30-L39 HydrophobicContact CD2-CD1 3.88Å; F30-L39 HydrophobicContact CE1-CD1 3.95Å; F30-L39 HydrophobicContact CE2-CD1 4.03Å; F30-L39 HydrophobicContact CG-CD1 3.75Å; F30-L39 HydrophobicContact CZ-CD1 4.07Å; F30-L42 HydrophobicContact CD1-CD1 4.05Å; F30-L42 HydrophobicContact CE1-CB 4.03Å; F30-L42 HydrophobicContact CE1-CD1 4.04Å; F30-L43 HydrophobicContact CE2-CD2 4.25Å; F30-L43 HydrophobicContact CZ-CD2 3.87Å; F30-F76 HydrophobicContact CB-CD1 4.32Å; F30-F76 HydrophobicContact CB-CE1 4.1Å
31N94.2Very high91.4Very high46 Ų4669.7 Ų69.725%0.24633%0.33CS..EExtended strand (participates in β ladder)trans-84.1130.8171.1-172.9-32.6000108.9P11 F12 R33 I34P11-N31 CarbonylContact O-C 3.45Å; P11-N31 WeakPolarHBondContact O-CA 3.34Å; P11-N31 PolarHBondContact O-OD1 2.78Å; F12-N31 HydrophobicContact CD1-CB 3.93Å; F12-N31 HydrophobicContact CE1-CB 3.73Å; F12-N31 HydrophobicContact CZ-CB 4.43Å; N31-R33 PolarHBondContact O-N 2.87Å; N31-R33 WeakPolarHBondContact OD1-CB 3.32Å; N31-R33 WeakPolarHBondContact OD1-CG 3.42Å; N31-R33 PolarHBondContact OD1-N 3.33Å; N31-I34 HydrophobicContact CB-CG2 4.2Å; N31-I34 VanDerWaalsContact O-CG1 3.28Å; N31-I34 WeakPolarHBondContact O-CG1 3.31Å; N31-I34 PolarHBondContact O-N 2.8Å
32K92.3Very high91.9Very high40 Ų4072.7 Ų72.717%0.17435%0.345CS..THydrogen-bonded Turntrans-64.3-15.7178.4-65.7-165.9-176.7-158.50113.3P11 V13 G77 V81P11-K32 PolarHBondContact O-N 2.87Å; V13-K32 HydrophobicContact CB-CG 4.47Å; V13-K32 HydrophobicContact CG1-CG 4.1Å; K32-G77 WeakPolarHBondContact O-CA 3.27Å; K32-G77 PolarHBondContact O-N 3.1Å; K32-V81 PolarHBondContact NZ-O 2.8Å
33R92.9Very high92.6Very high189 Ų18971.1 Ų71.171%0.71333%0.334SS*.THydrogen-bonded Turntrans-88.3-2.9-179-59.3-177.3-177.6176.10.1114.6N31 L75N31-R33 PolarHBondContact O-N 2.87Å; N31-R33 WeakPolarHBondContact OD1-CB 3.32Å; N31-R33 WeakPolarHBondContact OD1-CG 3.42Å; N31-R33 PolarHBondContact OD1-N 3.33Å; R33-L75 WeakPolarHBondContact O-CD2 3.4Å
34I94.6Very high93Very high28 Ų2869 Ų6914%0.14431%0.311CS..SBendtrans-76.4152.417471-170.3000109.8F30 N31 E38 L39 L42 L75 F76F30-I34 HydrophobicContact CB-CD1 4.24Å; F30-I34 HydrophobicContact CD1-CD1 4.26Å; N31-I34 HydrophobicContact CB-CG2 4.2Å; N31-I34 VanDerWaalsContact O-CG1 3.28Å; N31-I34 WeakPolarHBondContact O-CG1 3.31Å; N31-I34 PolarHBondContact O-N 2.8Å; I34-E38 WeakPolarHBondContact CA-OE2 3.42Å; I34-E38 HydrophobicContact CB-CB 4.18Å; I34-E38 WeakPolarHBondContact CB-OE2 3.43Å; I34-L39 HydrophobicContact CD1-CB 4Å; I34-L39 HydrophobicContact CD1-CD1 3.96Å; I34-L39 HydrophobicContact CG1-CB 4.39Å; I34-L42 HydrophobicContact CD1-CD1 4.19Å; I34-L75 CarbonylContact O-C 3.59Å; I34-L75 WeakPolarHBondContact O-CA 3.34Å; I34-F76 HydrophobicContact CG1-CB 4.03Å; I34-F76 PolarHBondContact O-N 3.08Å
35T96.6Very high93.1Very high39 Ų3970.5 Ų70.524%0.23932%0.322CS..BIsolated β-bridgetrans-73.1158.9170.560.90000110.8A37 E38 L39 A74T35-A37 PolarHBondContact O-N 3.5Å; T35-E38 PolarHBondContact N-OE2 2.74Å; T35-E38 PolarHBondContact O-N 3.09Å; T35-E38 VanDerWaalsContact OG1-CG 3.26Å; T35-E38 WeakPolarHBondContact OG1-CG 3.27Å; T35-E38 PolarHBondContact OG1-N 2.81Å; T35-E38 PolarHBondContact OG1-OE2 2.94Å; T35-L39 PolarHBondContact O-N 3.35Å; T35-A74 CarbonylContact C-O 3.58Å; T35-A74 WeakPolarHBondContact CA-O 3.46Å
36I95.5Very high92.9Very high0 Ų069.6 Ų69.60%032%0.32CS..Hα-helixtrans-61.7-33.6172.7-66.5-52.9000111.7L39 K40 I69 N71 N72 A74 F76 Y79I36-L39 HydrophobicContact CD1-CD2 4.07Å; I36-L39 WeakPolarHBondContact O-CB 3.46Å; I36-L39 PolarHBondContact O-N 3.1Å; I36-K40 HydrophobicContact CG2-CD 4.43Å; I36-K40 HydrophobicContact CG2-CG 4.44Å; I36-K40 WeakPolarHBondContact O-CG 3.26Å; I36-K40 PolarHBondContact O-N 3.07Å; I36-I69 HydrophobicContact CB-CG2 4.12Å; I36-I69 HydrophobicContact CD1-CD1 4.24Å; I36-I69 HydrophobicContact CD1-CG2 3.59Å; I36-I69 HydrophobicContact CG1-CG2 3.55Å; I36-I69 HydrophobicContact CG2-CG2 3.44Å; I36-I69 VanDerWaalsContact CG2-CG2 3.44Å; I36-N71 WeakPolarHBondContact CB-O 3.34Å; I36-N71 WeakPolarHBondContact CG1-O 3.42Å; I36-N72 PolarHBondContact N-O 2.87Å; I36-A74 PolarHBondContact N-O 2.9Å; I36-F76 HydrophobicContact CD1-CB 4.16Å; I36-F76 HydrophobicContact CD1-CD2 3.88Å; I36-Y79 HydrophobicContact CD1-CD2 3.97Å; I36-Y79 HydrophobicContact CD1-CE2 3.75Å; I36-Y79 HydrophobicContact CG1-CD2 4.29Å; I36-Y79 HydrophobicContact CG1-CE2 3.57Å
37A94.9Very high92.7Very high38 Ų3868 Ų6831%0.31431%0.312SS..Hα-helixtrans-58.7-47.1173.300000111.9T35 K40 M41 N72T35-A37 PolarHBondContact O-N 3.5Å; A37-K40 PolarHBondContact O-N 2.7Å; A37-M41 WeakPolarHBondContact O-CG 3.37Å; A37-M41 PolarHBondContact O-N 3.43Å; A37-M41 VanDerWaalsContact O-N 3.12Å; A37-N72 HydrophobicContact CB-CB 4.27Å; A37-N72 PolarHBondContact N-O 3.11Å
38E94.9Very high92.3Very high86 Ų8663.9 Ų63.940%0.40232%0.316SS..Hα-helixtrans-63.7-40.8175.3-71166.8154.500112I34 T35 K40 M41 L42I34-E38 WeakPolarHBondContact CA-OE2 3.42Å; I34-E38 HydrophobicContact CB-CB 4.18Å; I34-E38 WeakPolarHBondContact CB-OE2 3.43Å; T35-E38 PolarHBondContact N-OE2 2.74Å; T35-E38 PolarHBondContact O-N 3.09Å; T35-E38 VanDerWaalsContact OG1-CG 3.26Å; T35-E38 WeakPolarHBondContact OG1-CG 3.27Å; T35-E38 PolarHBondContact OG1-N 2.81Å; T35-E38 PolarHBondContact OG1-OE2 2.94Å; E38-K40 PolarHBondContact O-N 3.36Å; E38-M41 HydrophobicContact CB-CE 4.35Å; E38-M41 HydrophobicContact CG-CE 4.01Å; E38-M41 PolarHBondContact O-N 3.34Å; E38-L42 WeakPolarHBondContact O-CG 3.43Å; E38-L42 PolarHBondContact O-N 3.2Å
39L94.6Very high92Very high0 Ų059 Ų590%030%0.298CS..Hα-helixtrans-59-46.7174.8-178.971000111.3F30 I34 T35 I36 M41 L42 L43 L56 F76 I87F30-L39 HydrophobicContact CB-CD1 4.39Å; F30-L39 HydrophobicContact CD1-CD1 3.79Å; F30-L39 HydrophobicContact CD2-CD1 3.88Å; F30-L39 HydrophobicContact CE1-CD1 3.95Å; F30-L39 HydrophobicContact CE2-CD1 4.03Å; F30-L39 HydrophobicContact CG-CD1 3.75Å; F30-L39 HydrophobicContact CZ-CD1 4.07Å; I34-L39 HydrophobicContact CD1-CB 4Å; I34-L39 HydrophobicContact CD1-CD1 3.96Å; I34-L39 HydrophobicContact CG1-CB 4.39Å; T35-L39 PolarHBondContact O-N 3.35Å; I36-L39 HydrophobicContact CD1-CD2 4.07Å; I36-L39 WeakPolarHBondContact O-CB 3.46Å; I36-L39 PolarHBondContact O-N 3.1Å; L39-M41 PolarHBondContact O-N 3.09Å; L39-L42 PolarHBondContact O-N 3.46Å; L39-L43 HydrophobicContact CD1-CD1 4.38Å; L39-L43 HydrophobicContact CD1-CG 4.43Å; L39-L43 HydrophobicContact CD2-CD1 4.44Å; L39-L43 HydrophobicContact CG-CD1 3.95Å; L39-L43 HydrophobicContact CG-CG 4.36Å; L39-L43 WeakPolarHBondContact O-CB 3.47Å; L39-L43 VanDerWaalsContact O-CG 3.29Å; L39-L43 WeakPolarHBondContact O-CG 3.14Å; L39-L43 PolarHBondContact O-N 3.02Å; L39-L56 HydrophobicContact CD2-CD1 4.04Å; L39-F76 HydrophobicContact CD2-CD2 3.51Å; L39-F76 HydrophobicContact CD2-CE2 3.68Å; L39-F76 HydrophobicContact CD2-CG 4.15Å; L39-F76 HydrophobicContact CD2-CZ 4.47Å; L39-I87 HydrophobicContact CD2-CD1 4.4Å
40K94.3Very high91.8Very high16 Ų1654.4 Ų54.47%0.0729%0.287CS..Hα-helixtrans-60.7-41.9178.1-73.5-178.2176.1-174.70112.2I36 A37 E38 L42 L43 E44 A51 M54 L56 N72I36-K40 HydrophobicContact CG2-CD 4.43Å; I36-K40 HydrophobicContact CG2-CG 4.44Å; I36-K40 WeakPolarHBondContact O-CG 3.26Å; I36-K40 PolarHBondContact O-N 3.07Å; A37-K40 PolarHBondContact O-N 2.7Å; E38-K40 PolarHBondContact O-N 3.36Å; K40-L42 VanDerWaalsContact C-N 3.33Å; K40-L42 PolarHBondContact O-N 3.47Å; K40-L43 PolarHBondContact O-N 2.78Å; K40-E44 PolarHBondContact O-N 2.93Å; K40-A51 HydrophobicContact CB-CB 3.8Å; K40-M54 HydrophobicContact CB-SD 4.05Å; K40-M54 HydrophobicContact CD-CB 4.46Å; K40-M54 WeakPolarHBondContact CE-O 3.07Å; K40-M54 HydrophobicContact CG-SD 3.92Å; K40-M54 PolarHBondContact NZ-O 3.46Å; K40-L56 HydrophobicContact CG-CD1 3.82Å; K40-L56 HydrophobicContact CG-CG 4.37Å; K40-N72 PolarHBondContact NZ-OD1 3.41Å; K40-N72 VanDerWaalsContact NZ-OD1 3.14Å
41M93Very high91.6Very high111 Ų11154.8 Ų54.855%0.54729%0.293SS..Hα-helixtrans-62.5-38.4174.9-69.4-172.4-67.500112.6A37 E38 L39 E44 A51A37-M41 WeakPolarHBondContact O-CG 3.37Å; A37-M41 PolarHBondContact O-N 3.43Å; A37-M41 VanDerWaalsContact O-N 3.12Å; E38-M41 HydrophobicContact CB-CE 4.35Å; E38-M41 HydrophobicContact CG-CE 4.01Å; E38-M41 PolarHBondContact O-N 3.34Å; L39-M41 PolarHBondContact O-N 3.09Å; M41-E44 WeakPolarHBondContact O-CB 3.44Å; M41-E44 PolarHBondContact O-N 3.37Å; M41-A51 HydrophobicContact CG-CB 4.37Å
42L93.3Very high91.4Very high84 Ų8458.3 Ų58.344%0.4432%0.322SS..Hα-helixtrans-69.1-39.1175.2-68.2172.9000111.7F30 I34 E38 L39 K40 E44 N46F30-L42 HydrophobicContact CD1-CD1 4.05Å; F30-L42 HydrophobicContact CE1-CB 4.03Å; F30-L42 HydrophobicContact CE1-CD1 4.04Å; I34-L42 HydrophobicContact CD1-CD1 4.19Å; E38-L42 WeakPolarHBondContact O-CG 3.43Å; E38-L42 PolarHBondContact O-N 3.2Å; L39-L42 PolarHBondContact O-N 3.46Å; K40-L42 VanDerWaalsContact C-N 3.33Å; K40-L42 PolarHBondContact O-N 3.47Å; L42-E44 VanDerWaalsContact C-N 3.31Å; L42-N46 PolarHBondContact O-ND2 2.91Å
43L92.1Very high91.3Very high0 Ų057.3 Ų57.30%032%0.32CS..Hα-helixtrans-68.7-29.7177.5-70.1175.5000112.3I17 F30 L39 K40 M45 N46 V47 M54 L56 I87 V89I17-L43 HydrophobicContact CD1-CD2 3.41Å; I17-L43 VanDerWaalsContact CD1-CD2 3.41Å; I17-L43 HydrophobicContact CG1-CD2 3.83Å; I17-L43 HydrophobicContact CG2-CD2 3.99Å; F30-L43 HydrophobicContact CE2-CD2 4.25Å; F30-L43 HydrophobicContact CZ-CD2 3.87Å; L39-L43 HydrophobicContact CD1-CD1 4.38Å; L39-L43 HydrophobicContact CD1-CG 4.43Å; L39-L43 HydrophobicContact CD2-CD1 4.44Å; L39-L43 HydrophobicContact CG-CD1 3.95Å; L39-L43 HydrophobicContact CG-CG 4.36Å; L39-L43 WeakPolarHBondContact O-CB 3.47Å; L39-L43 VanDerWaalsContact O-CG 3.29Å; L39-L43 WeakPolarHBondContact O-CG 3.14Å; L39-L43 PolarHBondContact O-N 3.02Å; K40-L43 PolarHBondContact O-N 2.78Å; L43-M45 VanDerWaalsContact C-N 3.31Å; L43-M45 PolarHBondContact O-N 2.81Å; L43-N46 PolarHBondContact O-N 2.87Å; L43-V47 PolarHBondContact O-N 2.77Å; L43-M54 HydrophobicContact CB-CE 3.85Å; L43-M54 HydrophobicContact CB-SD 3.82Å; L43-M54 HydrophobicContact CD1-SD 4.16Å; L43-L56 HydrophobicContact CD1-CD1 3.99Å; L43-L56 HydrophobicContact CD1-CD2 3.71Å; L43-I87 HydrophobicContact CD1-CG2 4.42Å; L43-V89 HydrophobicContact CD1-CG2 4.27Å
44E90.8Very high91.2Very high75 Ų7548.3 Ų48.335%0.3529%0.286SS..Hα-helixtrans-55.5-44.8176.1176.5168.2171.100111.8K40 M41 L42 N46 G48 V49 A51 M54K40-E44 PolarHBondContact O-N 2.93Å; M41-E44 WeakPolarHBondContact O-CB 3.44Å; M41-E44 PolarHBondContact O-N 3.37Å; L42-E44 VanDerWaalsContact C-N 3.31Å; E44-N46 PolarHBondContact O-N 3.14Å; E44-G48 WeakPolarHBondContact O-CA 3.45Å; E44-G48 PolarHBondContact O-N 2.93Å; E44-V49 WeakPolarHBondContact CA-O 3.42Å; E44-V49 WeakPolarHBondContact CB-O 3.28Å; E44-V49 VanDerWaalsContact CG-O 3.31Å; E44-V49 WeakPolarHBondContact CG-O 3.38Å; E44-A51 PolarHBondContact OE2-N 3.41Å; E44-M54 HydrophobicContact CB-CE 4.39Å
45M84.5Confident91.2Very high166 Ų16648.3 Ų48.382%0.81829%0.286SS*.Hα-helixtrans-68.7-20.4176-69.9-61.1-62.400114.1L43L43-M45 VanDerWaalsContact C-N 3.31Å; L43-M45 PolarHBondContact O-N 2.81Å
46N85Confident91.1Very high65 Ų6546.5 Ų46.535%0.34828%0.275SS..Hα-helixtrans-92.9-38.1-178.5-73.1-87000112.3R28 L42 L43 E44R28-N46 PolarHBondContact NE-OD1 2.83Å; R28-N46 PolarHBondContact NH2-OD1 2.79Å; R28-N46 VanDerWaalsContact NH2-OD1 3.13Å; L42-N46 PolarHBondContact O-ND2 2.91Å; L43-N46 PolarHBondContact O-N 2.87Å; E44-N46 PolarHBondContact O-N 3.14Å
47V85.9Confident91.1Very high28 Ų2848.5 Ų48.517%0.1728%0.284CS..Hα-helixtrans-107-15.9-172.8-174.90000112.1I17 S19 L43 V49 V89I17-V47 HydrophobicContact CG2-CG2 3.76Å; S19-V47 VanDerWaalsContact CB-CG1 3.42Å; S19-V47 WeakPolarHBondContact OG-CG1 3.2Å; L43-V47 PolarHBondContact O-N 2.77Å; V47-V49 VanDerWaalsContact C-N 3.33Å; V47-V49 HydrophobicContact CG1-CG2 3.95Å; V47-V89 HydrophobicContact CG1-CB 4.33Å; V47-V89 HydrophobicContact CG1-CG1 4.18Å; V47-V89 HydrophobicContact CG2-CG2 4.14Å
48G85.7Confident91.1Very high63 Ų6346.7 Ų46.765%0.64927%0.269SS*.  trans75.619.4179.900000114E44E44-G48 WeakPolarHBondContact O-CA 3.45Å; E44-G48 PolarHBondContact O-N 2.93Å
49V87.3Confident91.2Very high1 Ų143.8 Ų43.81%0.00626%0.255CS..  trans-109126.6-179.1176.30000109.4L21 E44 V47 M54 D91L21-V49 HydrophobicContact CD1-CG2 3.4Å; E44-V49 WeakPolarHBondContact CA-O 3.42Å; E44-V49 WeakPolarHBondContact CB-O 3.28Å; E44-V49 VanDerWaalsContact CG-O 3.31Å; E44-V49 WeakPolarHBondContact CG-O 3.38Å; V47-V49 VanDerWaalsContact C-N 3.33Å; V47-V49 HydrophobicContact CG1-CG2 3.95Å; V49-M54 HydrophobicContact CB-CE 4.13Å; V49-M54 HydrophobicContact CG1-CB 4.2Å; V49-M54 HydrophobicContact CG1-CE 4.41Å; V49-M54 WeakPolarHBondContact O-CE 3.44Å; V49-D91 HydrophobicContact CG1-CB 3.94Å; V49-D91 WeakPolarHBondContact CG1-OD1 3.44Å; V49-D91 HydrophobicContact CG2-CB 3.83Å
50P90.3Very high91.1Very high51 Ų5144.7 Ų44.733%0.33126%0.262SS..  trans-55.7137.8177.1-25.433.9000112.7S52 S53 M54P50-S52 PolarHBondContact O-N 3.14Å; P50-S53 PolarHBondContact O-N 3.36Å; P50-S53 PolarHBondContact O-OG 2.92Å; P50-M54 WeakPolarHBondContact O-CB 3.44Å; P50-M54 PolarHBondContact O-N 3.09Å
51A90.9Very high91Very high24 Ų2447.7 Ų47.720%0.19828%0.281CS..G310 helixtrans-56-27.7179.400000113.9K40 M41 E44K40-A51 HydrophobicContact CB-CB 3.8Å; M41-A51 HydrophobicContact CG-CB 4.37Å; E44-A51 PolarHBondContact OE2-N 3.41Å
52S90.4Very high91Very high120 Ų12047.6 Ų47.684%0.83929%0.287SS*.G310 helixtrans-73-27.2178.757.20000114.2P50P50-S52 PolarHBondContact O-N 3.14Å
53S89.8Confident90.9Very high19 Ų1947 Ų4713%0.13328%0.284CS..G310 helixtrans-106.712.4178.961.70000112.8P50 R92P50-S53 PolarHBondContact O-N 3.36Å; P50-S53 PolarHBondContact O-OG 2.92Å; S53-R92 PolarHBondContact O-N 2.8Å
54M91.6Very high91Very high1 Ų155.9 Ų55.91%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-97.5114.1-176.4-168.7-176.4-66.200111.5K40 L43 E44 V49 P50 L56 V89K40-M54 HydrophobicContact CB-SD 4.05Å; K40-M54 HydrophobicContact CD-CB 4.46Å; K40-M54 WeakPolarHBondContact CE-O 3.07Å; K40-M54 HydrophobicContact CG-SD 3.92Å; K40-M54 PolarHBondContact NZ-O 3.46Å; L43-M54 HydrophobicContact CB-CE 3.85Å; L43-M54 HydrophobicContact CB-SD 3.82Å; L43-M54 HydrophobicContact CD1-SD 4.16Å; E44-M54 HydrophobicContact CB-CE 4.39Å; V49-M54 HydrophobicContact CB-CE 4.13Å; V49-M54 HydrophobicContact CG1-CB 4.2Å; V49-M54 HydrophobicContact CG1-CE 4.41Å; V49-M54 WeakPolarHBondContact O-CE 3.44Å; P50-M54 WeakPolarHBondContact O-CB 3.44Å; P50-M54 PolarHBondContact O-N 3.09Å; M54-L56 HydrophobicContact CG-CD2 3.86Å; M54-L56 HydrophobicContact CG-CG 4.35Å; M54-L56 HydrophobicContact SD-CD2 3.69Å; M54-L56 HydrophobicContact SD-CG 4.34Å; M54-V89 HydrophobicContact CE-CG1 4.13Å; M54-V89 HydrophobicContact CG-CG1 3.5Å; M54-V89 VanDerWaalsContact CG-CG1 3.5Å; M54-V89 HydrophobicContact SD-CG1 3.87Å
55D93.4Very high91.3Very high28 Ų2857.1 Ų57.115%0.1532%0.322CS..EExtended strand (participates in β ladder)trans-98.3140.9165.3-81.78.4000109.1K68 I90 R92D55-K68 WeakPolarHBondContact OD2-CE 3.45Å; D55-K68 IonicContact OD2-NZ 2.67Å; D55-K68 PolarHBondContact OD2-NZ 2.86Å; D55-I90 HydrophobicContact CB-CB 4.13Å; D55-I90 PolarHBondContact N-O 2.93Å; D55-I90 PolarHBondContact O-N 3.08Å; D55-R92 VanDerWaalsContact CG-CD 3.45Å; D55-R92 IonicContact OD1-NH1 3.88Å; D55-R92 WeakPolarHBondContact OD2-CD 3.4Å; D55-R92 IonicContact OD2-NH1 2.92Å; D55-R92 PolarHBondContact OD2-NH1 2.93Å
56L94.8Very high91.7Very high0 Ų052.5 Ų52.50%030%0.3CS..EExtended strand (participates in β ladder)trans-121.2136-178-60.8178.7000110.8L39 K40 L43 M54 I69 I87 H88 V89L39-L56 HydrophobicContact CD2-CD1 4.04Å; K40-L56 HydrophobicContact CG-CD1 3.82Å; K40-L56 HydrophobicContact CG-CG 4.37Å; L43-L56 HydrophobicContact CD1-CD1 3.99Å; L43-L56 HydrophobicContact CD1-CD2 3.71Å; M54-L56 HydrophobicContact CG-CD2 3.86Å; M54-L56 HydrophobicContact CG-CG 4.35Å; M54-L56 HydrophobicContact SD-CD2 3.69Å; M54-L56 HydrophobicContact SD-CG 4.34Å; L56-I69 HydrophobicContact CB-CB 4Å; L56-I69 HydrophobicContact CB-CD1 3.87Å; L56-I69 HydrophobicContact CB-CG1 4.23Å; L56-I69 HydrophobicContact CD1-CD1 4.13Å; L56-I69 PolarHBondContact O-N 3.48Å; L56-I87 HydrophobicContact CB-CG2 4.47Å; L56-I87 HydrophobicContact CD2-CG2 4.01Å; L56-H88 WeakPolarHBondContact CA-O 3.49Å; L56-V89 HydrophobicContact CD2-CB 4.25Å; L56-V89 HydrophobicContact CD2-CG1 4.25Å; L56-V89 HydrophobicContact CD2-CG2 3.69Å
57E95.8Very high92.1Very high43 Ų4353.6 Ų53.620%0.20130%0.304CS..EExtended strand (participates in β ladder)trans-124.2139.9173.8-65.8-176165.800110.3F59 F65 K68 I87 H88 I90E57-F59 HydrophobicContact CB-CD2 4.44Å; E57-F59 HydrophobicContact CB-CE2 3.75Å; E57-F65 HydrophobicContact CB-CE2 4.07Å; E57-F65 HydrophobicContact CG-CE2 4.04Å; E57-K68 HydrophobicContact CG-CG 4.44Å; E57-I87 CarbonylContact O-C 3.48Å; E57-I87 WeakPolarHBondContact O-CA 3.32Å; E57-H88 HydrophobicContact CB-CB 4.38Å; E57-H88 PolarHBondContact N-O 3.13Å; E57-H88 PolarHBondContact O-N 3.12Å; E57-I90 VanDerWaalsContact CD-CD1 3.41Å; E57-I90 HydrophobicContact CG-CD1 3.92Å; E57-I90 WeakPolarHBondContact OE1-CD1 3.26Å
58I95.7Very high92.5Very high0 Ų056.2 Ų56.20%031%0.313CS..EExtended strand (participates in β ladder)trans-104133.2178.9-55166.5000109L66 Q67 I69 Y79 V81 R86I58-L66 HydrophobicContact CG2-CB 4.46Å; I58-L66 HydrophobicContact CG2-CD1 4.08Å; I58-L66 WeakPolarHBondContact O-CB 3.38Å; I58-L66 PolarHBondContact O-N 3.28Å; I58-Q67 PolarHBondContact N-O 3.38Å; I58-Q67 PolarHBondContact O-N 2.88Å; I58-I69 HydrophobicContact CD1-CD1 3.68Å; I58-I69 HydrophobicContact CD1-CG1 3.58Å; I58-I69 HydrophobicContact CG1-CD1 3.65Å; I58-I69 HydrophobicContact CG1-CG1 3.73Å; I58-Y79 HydrophobicContact CD1-CD1 4.13Å; I58-Y79 HydrophobicContact CD1-CG 4.06Å; I58-V81 HydrophobicContact CD1-CG1 3.8Å; I58-V81 HydrophobicContact CG2-CG1 4.43Å; I58-R86 CarbonylContact C-O 3.57Å
59F95.9Very high92.9Very high25 Ų2553.3 Ų53.311%0.1128%0.282CS..EExtended strand (participates in β ladder)trans-122.1148.4174.1-65.5-103.5000109.8E57 D63 R64 F65 C85 R86 H88E57-F59 HydrophobicContact CB-CD2 4.44Å; E57-F59 HydrophobicContact CB-CE2 3.75Å; F59-D63 WeakPolarHBondContact CD1-O 3.4Å; F59-R64 CarbonylContact C-O 3.13Å; F59-R64 VanDerWaalsContact CA-O 3.24Å; F59-R64 WeakPolarHBondContact CA-O 3.21Å; F59-F65 HydrophobicContact CD1-CB 4.07Å; F59-F65 HydrophobicContact CE1-CB 3.8Å; F59-F65 HydrophobicContact CE1-CD2 4.14Å; F59-F65 HydrophobicContact CE1-CG 4.49Å; F59-F65 HydrophobicContact CE2-CD2 4.32Å; F59-F65 HydrophobicContact CZ-CB 4.43Å; F59-F65 AromaticContact CZ-CD2 3.91Å; F59-F65 HydrophobicContact CZ-CD2 3.91Å; F59-C85 WeakPolarHBondContact O-CB 3.48Å; F59-R86 HydrophobicContact CB-CB 4.05Å; F59-R86 PolarHBondContact N-O 2.96Å; F59-R86 PolarHBondContact O-N 3.44Å; F59-H88 HydrophobicContact CD2-CB 4Å; F59-H88 HydrophobicContact CE2-CB 3.58Å
60S93.6Very high93Very high19 Ų1959.3 Ų59.313%0.13331%0.314CS..  trans-66.3174.5176.672.10000112.2T62 D63 R64S60-T62 PolarHBondContact O-N 3.18Å; S60-T62 PolarHBondContact OG-N 3.24Å; S60-T62 PolarHBondContact OG-OG1 3.06Å; S60-D63 PolarHBondContact O-N 3.47Å; S60-D63 PolarHBondContact OG-N 3.44Å; S60-R64 PolarHBondContact N-O 2.8Å; S60-R64 WeakPolarHBondContact OG-CB 3.21Å; S60-R64 PolarHBondContact OG-N 3.47Å
61T91.9Very high93.2Very high78 Ų7860.5 Ų60.548%0.47932%0.318SS..THydrogen-bonded Turntrans-57.6-27.7169.852.10000112.8R16 D63 D83 E84R16-T61 PolarHBondContact NH2-O 3.01Å; T61-D63 VanDerWaalsContact C-N 3.33Å; T61-D83 VanDerWaalsContact CG2-O 3.27Å; T61-D83 WeakPolarHBondContact CG2-O 3.35Å; T61-E84 HydrophobicContact CG2-CB 4.23Å
62T93.1Very high93.3Very high110 Ų11063 Ų6368%0.67533%0.328SS*.THydrogen-bonded Turntrans-92.617.6175.967.60000113.3S60 R64S60-T62 PolarHBondContact O-N 3.18Å; S60-T62 PolarHBondContact OG-N 3.24Å; S60-T62 PolarHBondContact OG-OG1 3.06Å; T62-R64 PolarHBondContact O-N 2.99Å; T62-R64 VanDerWaalsContact O-N 3.16Å
63D90.9Very high93.4Very high70 Ų7065.3 Ų65.337%0.37433%0.326SS..  trans57.926-179.1-66.4-50.3000115R16 F59 S60 T61 R86R16-D63 IonicContact NH2-OD1 2.94Å; F59-D63 WeakPolarHBondContact CD1-O 3.4Å; S60-D63 PolarHBondContact O-N 3.47Å; S60-D63 PolarHBondContact OG-N 3.44Å; T61-D63 VanDerWaalsContact C-N 3.33Å; D63-R86 VanDerWaalsContact CG-NH1 3.35Å; D63-R86 WeakPolarHBondContact OD1-CD 3.4Å; D63-R86 IonicContact OD1-CZ 2.7Å; D63-R86 IonicContact OD1-NE 3.42Å; D63-R86 PolarHBondContact OD1-NE 2.95Å; D63-R86 IonicContact OD1-NH1 2.75Å; D63-R86 PolarHBondContact OD1-NH1 2.93Å; D63-R86 IonicContact OD2-NH1 2.75Å
64R94.7Very high93.6Very high187 Ų18765.3 Ų65.371%0.70633%0.326SS*.  trans-84.5129.3171.8-176.9-178.9174.2176.8-0109.3F59 S60 T62 L66F59-R64 CarbonylContact C-O 3.13Å; F59-R64 VanDerWaalsContact CA-O 3.24Å; F59-R64 WeakPolarHBondContact CA-O 3.21Å; S60-R64 PolarHBondContact N-O 2.8Å; S60-R64 WeakPolarHBondContact OG-CB 3.21Å; S60-R64 PolarHBondContact OG-N 3.47Å; T62-R64 PolarHBondContact O-N 2.99Å; T62-R64 VanDerWaalsContact O-N 3.16Å; R64-L66 PolarHBondContact O-N 2.88Å
65F95.3Very high93.8Very high102 Ų10269.5 Ų69.545%0.44735%0.348SS..EExtended strand (participates in β ladder)trans-56.5129.4174177.2-96.4000110.7E57 F59E57-F65 HydrophobicContact CB-CE2 4.07Å; E57-F65 HydrophobicContact CG-CE2 4.04Å; F59-F65 HydrophobicContact CD1-CB 4.07Å; F59-F65 HydrophobicContact CE1-CB 3.8Å; F59-F65 HydrophobicContact CE1-CD2 4.14Å; F59-F65 HydrophobicContact CE1-CG 4.49Å; F59-F65 HydrophobicContact CE2-CD2 4.32Å; F59-F65 HydrophobicContact CZ-CB 4.43Å; F59-F65 AromaticContact CZ-CD2 3.91Å; F59-F65 HydrophobicContact CZ-CD2 3.91Å
66L93.4Very high93.8Very high68 Ų6868.1 Ų68.136%0.35634%0.341SS..EExtended strand (participates in β ladder)trans-105.4-64.4177.9-62.1-177.4000110.6I58 R64 P80I58-L66 HydrophobicContact CG2-CB 4.46Å; I58-L66 HydrophobicContact CG2-CD1 4.08Å; I58-L66 WeakPolarHBondContact O-CB 3.38Å; I58-L66 PolarHBondContact O-N 3.28Å; R64-L66 PolarHBondContact O-N 2.88Å; L66-P80 HydrophobicContact CB-CG 4.31Å; L66-P80 HydrophobicContact CD1-CB 4.39Å; L66-P80 HydrophobicContact CD1-CG 4.36Å
67Q94.1Very high93.6Very high89 Ų8969.9 Ų69.942%0.41636%0.359SS..EExtended strand (participates in β ladder)trans-160.1152.2-172.6-159.9178.77.300111.9I58I58-Q67 PolarHBondContact N-O 3.38Å; I58-Q67 PolarHBondContact O-N 2.88Å
68K94.3Very high93.4Very high83 Ų8371.7 Ų71.736%0.36138%0.376SS..EExtended strand (participates in β ladder)trans-84.2138.6166.1-172173.9-177.1171.90110.4D55 E57D55-K68 WeakPolarHBondContact OD2-CE 3.45Å; D55-K68 IonicContact OD2-NZ 2.67Å; D55-K68 PolarHBondContact OD2-NZ 2.86Å; E57-K68 HydrophobicContact CG-CG 4.44Å
69I93.4Very high93.2Very high2 Ų272.6 Ų72.61%0.0138%0.38CS..EExtended strand (participates in β ladder)trans-92.2112.1173.8-55.3176.7000108.2I36 L56 I58 Y79I36-I69 HydrophobicContact CB-CG2 4.12Å; I36-I69 HydrophobicContact CD1-CD1 4.24Å; I36-I69 HydrophobicContact CD1-CG2 3.59Å; I36-I69 HydrophobicContact CG1-CG2 3.55Å; I36-I69 HydrophobicContact CG2-CG2 3.44Å; I36-I69 VanDerWaalsContact CG2-CG2 3.44Å; L56-I69 HydrophobicContact CB-CB 4Å; L56-I69 HydrophobicContact CB-CD1 3.87Å; L56-I69 HydrophobicContact CB-CG1 4.23Å; L56-I69 HydrophobicContact CD1-CD1 4.13Å; L56-I69 PolarHBondContact O-N 3.48Å; I58-I69 HydrophobicContact CD1-CD1 3.68Å; I58-I69 HydrophobicContact CD1-CG1 3.58Å; I58-I69 HydrophobicContact CG1-CD1 3.65Å; I58-I69 HydrophobicContact CG1-CG1 3.73Å; I69-Y79 HydrophobicContact CB-CE1 4.2Å; I69-Y79 HydrophobicContact CG1-CD1 4.12Å; I69-Y79 HydrophobicContact CG1-CE1 4.14Å; I69-Y79 HydrophobicContact CG1-CG 4.44Å; I69-Y79 HydrophobicContact CG2-CE1 4.05Å; I69-Y79 HydrophobicContact CG2-CE2 3.97Å
70D90.1Very high93Very high126 Ų12674.1 Ų74.167%0.67439%0.392SS*.  trans-119.8-16.7-173.659.7-3.8000114.2
71N93.3Very high92.8Very high76 Ų7673.4 Ų73.441%0.40639%0.387SS..  trans-103.1111.8178.9-173.9-8.8000112.1I36 E73 A74 Y79I36-N71 WeakPolarHBondContact CB-O 3.34Å; I36-N71 WeakPolarHBondContact CG1-O 3.42Å; N71-E73 PolarHBondContact OD1-N 3.03Å; N71-A74 HydrophobicContact CB-CB 3.99Å; N71-A74 PolarHBondContact OD1-N 3.26Å; N71-Y79 PolarHBondContact N-OH 2.63Å; N71-Y79 PolarHBondContact O-OH 3.34Å
72N92.9Very high92.7Very high76 Ų7674.7 Ų74.741%0.40639%0.391SS..SBendtrans-70.7-25.6-179.9-74.7-16.6000114I36 A37 K40I36-N72 PolarHBondContact N-O 2.87Å; A37-N72 HydrophobicContact CB-CB 4.27Å; A37-N72 PolarHBondContact N-O 3.11Å; K40-N72 PolarHBondContact NZ-OD1 3.41Å; K40-N72 VanDerWaalsContact NZ-OD1 3.14Å
73E94.1Very high92.7Very high170 Ų17073.5 Ų73.579%0.79438%0.381SS*.SBendtrans-86.7-19.4-178.5-61.5-177.6176.700112.4N71N71-E73 PolarHBondContact OD1-N 3.03Å
74A94.3Very high92.8Very high18 Ų1872.8 Ų72.815%0.14938%0.375CS..SBendtrans-64.3148.8177.500000111.5T35 I36 N71 Y79T35-A74 CarbonylContact C-O 3.58Å; T35-A74 WeakPolarHBondContact CA-O 3.46Å; I36-A74 PolarHBondContact N-O 2.9Å; N71-A74 HydrophobicContact CB-CB 3.99Å; N71-A74 PolarHBondContact OD1-N 3.26Å; A74-Y79 HydrophobicContact CB-CE2 3.85Å
75L94.6Very high92.7Very high89 Ų8964 Ų6447%0.46634%0.342SS..BIsolated β-bridgetrans-71143.4172.8-62.5179.6000109.8R33 I34 G77 S78R33-L75 WeakPolarHBondContact O-CD2 3.4Å; I34-L75 CarbonylContact O-C 3.59Å; I34-L75 WeakPolarHBondContact O-CA 3.34Å; L75-G77 PolarHBondContact O-N 3.23Å; L75-S78 WeakPolarHBondContact O-CB 3.44Å; L75-S78 PolarHBondContact O-N 2.96Å; L75-S78 PolarHBondContact O-OG 3.44Å
76F93.6Very high92.7Very high0 Ų061.6 Ų61.60%033%0.33CS..G310 helixtrans-57.7-36.7177178.9-129.5000112.3V13 V15 F30 I34 I36 L39 S78 Y79 V81 I87V13-F76 HydrophobicContact CG1-CD1 4.3Å; V13-F76 HydrophobicContact CG1-CE1 3.45Å; V13-F76 VanDerWaalsContact CG1-CE1 3.45Å; V13-F76 HydrophobicContact CG1-CZ 4.23Å; V15-F76 HydrophobicContact CG1-CZ 4.17Å; F30-F76 HydrophobicContact CB-CD1 4.32Å; F30-F76 HydrophobicContact CB-CE1 4.1Å; I34-F76 HydrophobicContact CG1-CB 4.03Å; I34-F76 PolarHBondContact O-N 3.08Å; I36-F76 HydrophobicContact CD1-CB 4.16Å; I36-F76 HydrophobicContact CD1-CD2 3.88Å; L39-F76 HydrophobicContact CD2-CD2 3.51Å; L39-F76 HydrophobicContact CD2-CE2 3.68Å; L39-F76 HydrophobicContact CD2-CG 4.15Å; L39-F76 HydrophobicContact CD2-CZ 4.47Å; F76-S78 PolarHBondContact O-N 3.15Å; F76-Y79 PolarHBondContact O-N 2.93Å; F76-V81 HydrophobicContact CD1-CG2 4.45Å; F76-V81 HydrophobicContact CD2-CG1 4.22Å; F76-V81 HydrophobicContact CE1-CB 4.43Å; F76-V81 HydrophobicContact CE1-CG2 4.17Å; F76-V81 HydrophobicContact CE2-CB 4.24Å; F76-V81 HydrophobicContact CE2-CG1 3.52Å; F76-V81 HydrophobicContact CE2-CG2 4.37Å; F76-V81 HydrophobicContact CZ-CB 3.93Å; F76-V81 HydrophobicContact CZ-CG1 3.69Å; F76-V81 HydrophobicContact CZ-CG2 4.09Å; F76-V81 WeakPolarHBondContact O-CG2 3.4Å; F76-I87 HydrophobicContact CE2-CD1 3.71Å; F76-I87 HydrophobicContact CZ-CD1 3.64Å
77G90.4Very high92.8Very high36 Ų3658.3 Ų58.337%0.37131%0.313SS..G310 helixtrans-69.9-8.4175.300000115.9K32 L75K32-G77 WeakPolarHBondContact O-CA 3.27Å; K32-G77 PolarHBondContact O-N 3.1Å; L75-G77 PolarHBondContact O-N 3.23Å
78S91.8Very high92.8Very high81 Ų8156.1 Ų56.157%0.56630%0.303SS*.G310 helixtrans-78.6-11.8173.770.30000112.9L75 F76L75-S78 WeakPolarHBondContact O-CB 3.44Å; L75-S78 PolarHBondContact O-N 2.96Å; L75-S78 PolarHBondContact O-OG 3.44Å; F76-S78 PolarHBondContact O-N 3.15Å
79Y92.6Very high92.8Very high19 Ų1952.2 Ų52.28%0.07529%0.285CS..SBendtrans-92.9161.1175.9-66.7-89000111I36 I58 I69 N71 A74 F76 V81I36-Y79 HydrophobicContact CD1-CD2 3.97Å; I36-Y79 HydrophobicContact CD1-CE2 3.75Å; I36-Y79 HydrophobicContact CG1-CD2 4.29Å; I36-Y79 HydrophobicContact CG1-CE2 3.57Å; I58-Y79 HydrophobicContact CD1-CD1 4.13Å; I58-Y79 HydrophobicContact CD1-CG 4.06Å; I69-Y79 HydrophobicContact CB-CE1 4.2Å; I69-Y79 HydrophobicContact CG1-CD1 4.12Å; I69-Y79 HydrophobicContact CG1-CE1 4.14Å; I69-Y79 HydrophobicContact CG1-CG 4.44Å; I69-Y79 HydrophobicContact CG2-CE1 4.05Å; I69-Y79 HydrophobicContact CG2-CE2 3.97Å; N71-Y79 PolarHBondContact N-OH 2.63Å; N71-Y79 PolarHBondContact O-OH 3.34Å; A74-Y79 HydrophobicContact CB-CE2 3.85Å; F76-Y79 PolarHBondContact O-N 2.93Å; Y79-V81 PolarHBondContact O-N 2.8Å
80P90.9Very high92.7Very high57 Ų5754.2 Ų54.237%0.3730%0.296SS..  trans-72.671.7178.231-36.6000111.4L66L66-P80 HydrophobicContact CB-CG 4.31Å; L66-P80 HydrophobicContact CD1-CB 4.39Å; L66-P80 HydrophobicContact CD1-CG 4.36Å
81V89.5Confident92.7Very high4 Ų449.3 Ų49.32%0.02427%0.269CS..  trans-108.1102.9-176.2-62.20000110.7K32 I58 F76 Y79K32-V81 PolarHBondContact NZ-O 2.8Å; I58-V81 HydrophobicContact CD1-CG1 3.8Å; I58-V81 HydrophobicContact CG2-CG1 4.43Å; F76-V81 HydrophobicContact CD1-CG2 4.45Å; F76-V81 HydrophobicContact CD2-CG1 4.22Å; F76-V81 HydrophobicContact CE1-CB 4.43Å; F76-V81 HydrophobicContact CE1-CG2 4.17Å; F76-V81 HydrophobicContact CE2-CB 4.24Å; F76-V81 HydrophobicContact CE2-CG1 3.52Å; F76-V81 HydrophobicContact CE2-CG2 4.37Å; F76-V81 HydrophobicContact CZ-CB 3.93Å; F76-V81 HydrophobicContact CZ-CG1 3.69Å; F76-V81 HydrophobicContact CZ-CG2 4.09Å; F76-V81 WeakPolarHBondContact O-CG2 3.4Å; Y79-V81 PolarHBondContact O-N 2.8Å
82D90.3Very high92.4Very high106 Ų10654 Ų5457%0.56728%0.282SS*.  trans-102.9163.9176-67.8-48.2000111.4V13 E84 C85V13-D82 WeakPolarHBondContact CG2-O 3.33Å; D82-E84 PolarHBondContact O-N 2.85Å; D82-C85 VanDerWaalsContact O-CB 3.22Å; D82-C85 WeakPolarHBondContact O-CB 3.33Å; D82-C85 PolarHBondContact O-N 3.3Å; D82-C85 VanDerWaalsContact O-N 3.11Å; D82-C85 PolarHBondContact O-SG 2.89Å
83D91.9Very high91.9Very high85 Ų8553.6 Ų53.646%0.45529%0.285SS..THydrogen-bonded Turntrans-60.9137.1177-153.555.6000110.5N14 T61 C85N14-D83 VanDerWaalsContact CB-OD1 3.28Å; N14-D83 WeakPolarHBondContact CB-OD1 3.39Å; N14-D83 PolarHBondContact N-OD1 2.91Å; N14-D83 PolarHBondContact ND2-OD1 3.41Å; T61-D83 VanDerWaalsContact CG2-O 3.27Å; T61-D83 WeakPolarHBondContact CG2-O 3.35Å; D83-C85 PolarHBondContact O-N 3.37Å
84E93.3Very high90.7Very high54 Ų5448.7 Ų48.725%0.25228%0.279SS..THydrogen-bonded Turntrans6413.8-174.1-57.1-70.710400115.3N14 R16 R27 T61 D82N14-E84 PolarHBondContact O-N 3.24Å; R16-E84 PolarHBondContact NE-O 3.48Å; R16-E84 PolarHBondContact NH2-O 2.75Å; R27-E84 IonicContact CZ-OE2 3.11Å; R27-E84 IonicContact NE-OE2 3.87Å; R27-E84 IonicContact NH1-OE2 2.8Å; R27-E84 PolarHBondContact NH1-OE2 3.4Å; R27-E84 IonicContact NH2-OE2 3.31Å; T61-E84 HydrophobicContact CG2-CB 4.23Å; D82-E84 PolarHBondContact O-N 2.85Å
85C93.1Very high89.4Confident2 Ų249.3 Ų49.31%0.01429%0.288CS..EExtended strand (participates in β ladder)trans-62.8151.7169.379.50000110.8V15 R16 F59 D82 D83V15-C85 WeakPolarHBondContact CA-O 3.45Å; R16-C85 PolarHBondContact N-O 3.23Å; F59-C85 WeakPolarHBondContact O-CB 3.48Å; D82-C85 VanDerWaalsContact O-CB 3.22Å; D82-C85 WeakPolarHBondContact O-CB 3.33Å; D82-C85 PolarHBondContact O-N 3.3Å; D82-C85 VanDerWaalsContact O-N 3.11Å; D82-C85 PolarHBondContact O-SG 2.89Å; D83-C85 PolarHBondContact O-N 3.37Å
86R95.4Very high87.8Confident52 Ų5251.8 Ų51.820%0.19630%0.297CS..EExtended strand (participates in β ladder)trans-102.1122-178.9179-175.680.3-177.17.8110.6R16 T18 I58 F59 D63R16-R86 HydrophobicContact CB-CB 4.24Å; R16-R86 HydrophobicContact CB-CG 4.39Å; R16-R86 CarbonylContact O-C 3.57Å; R16-R86 VanDerWaalsContact O-CA 3.23Å; R16-R86 WeakPolarHBondContact O-CA 3.37Å; T18-R86 HydrophobicContact CG2-CG 4.05Å; I58-R86 CarbonylContact C-O 3.57Å; F59-R86 HydrophobicContact CB-CB 4.05Å; F59-R86 PolarHBondContact N-O 2.96Å; F59-R86 PolarHBondContact O-N 3.44Å; D63-R86 VanDerWaalsContact CG-NH1 3.35Å; D63-R86 WeakPolarHBondContact OD1-CD 3.4Å; D63-R86 IonicContact OD1-CZ 2.7Å; D63-R86 IonicContact OD1-NE 3.42Å; D63-R86 PolarHBondContact OD1-NE 2.95Å; D63-R86 IonicContact OD1-NH1 2.75Å; D63-R86 PolarHBondContact OD1-NH1 2.93Å; D63-R86 IonicContact OD2-NH1 2.75Å
87I95.4Very high86.3Confident0 Ų054.2 Ų54.20%031%0.312CS..EExtended strand (participates in β ladder)trans-95.7117.5168.5-57.4179.4000107.4V15 R16 I17 T18 L39 L43 L56 E57 F76V15-I87 HydrophobicContact CB-CD1 4.13Å; V15-I87 HydrophobicContact CB-CG1 4.28Å; V15-I87 HydrophobicContact CG1-CD1 4.23Å; V15-I87 HydrophobicContact CG2-CD1 3.84Å; V15-I87 HydrophobicContact CG2-CG1 4.38Å; R16-I87 PolarHBondContact O-N 2.94Å; I17-I87 WeakPolarHBondContact CA-O 3.26Å; T18-I87 PolarHBondContact N-O 3.26Å; T18-I87 PolarHBondContact OG1-O 2.87Å; L39-I87 HydrophobicContact CD2-CD1 4.4Å; L43-I87 HydrophobicContact CD1-CG2 4.42Å; L56-I87 HydrophobicContact CB-CG2 4.47Å; L56-I87 HydrophobicContact CD2-CG2 4.01Å; E57-I87 CarbonylContact O-C 3.48Å; E57-I87 WeakPolarHBondContact O-CA 3.32Å; F76-I87 HydrophobicContact CE2-CD1 3.71Å; F76-I87 HydrophobicContact CZ-CD1 3.64Å
88H94.8Very high84.9Confident43 Ų4355.6 Ų55.620%0.19932%0.316CS..EExtended strand (participates in β ladder)trans-98.6123.2174.9-168.563.8000109.7T18 L56 E57 F59T18-H88 WeakPolarHBondContact OG1-CA 3.48Å; T18-H88 PolarHBondContact OG1-ND1 3.17Å; L56-H88 WeakPolarHBondContact CA-O 3.49Å; E57-H88 HydrophobicContact CB-CB 4.38Å; E57-H88 PolarHBondContact N-O 3.13Å; E57-H88 PolarHBondContact O-N 3.12Å; F59-H88 HydrophobicContact CD2-CB 4Å; F59-H88 HydrophobicContact CE2-CB 3.58Å
89V93.4Very high83.5Confident0 Ų055.7 Ų55.70%031%0.307CS..EExtended strand (participates in β ladder)trans-95.8118.3179.5-175.70000108.9I17 T18 S19 S20 L43 V47 M54 L56I17-V89 HydrophobicContact CG2-CG2 4.07Å; T18-V89 WeakPolarHBondContact O-CB 3.18Å; T18-V89 PolarHBondContact O-N 2.94Å; S19-V89 CarbonylContact C-O 3.52Å; S19-V89 WeakPolarHBondContact CA-O 3.46Å; S20-V89 PolarHBondContact N-O 3.38Å; L43-V89 HydrophobicContact CD1-CG2 4.27Å; V47-V89 HydrophobicContact CG1-CB 4.33Å; V47-V89 HydrophobicContact CG1-CG1 4.18Å; V47-V89 HydrophobicContact CG2-CG2 4.14Å; M54-V89 HydrophobicContact CE-CG1 4.13Å; M54-V89 HydrophobicContact CG-CG1 3.5Å; M54-V89 VanDerWaalsContact CG-CG1 3.5Å; M54-V89 HydrophobicContact SD-CG1 3.87Å; L56-V89 HydrophobicContact CD2-CB 4.25Å; L56-V89 HydrophobicContact CD2-CG1 4.25Å; L56-V89 HydrophobicContact CD2-CG2 3.69Å
90I91.4Very high82.3Confident45 Ų4561.5 Ų61.523%0.23134%0.339CS..EExtended strand (participates in β ladder)trans-104.4117.9177.1-59.2173.9000108D55 E57D55-I90 HydrophobicContact CB-CB 4.13Å; D55-I90 PolarHBondContact N-O 2.93Å; D55-I90 PolarHBondContact O-N 3.08Å; E57-I90 VanDerWaalsContact CD-CD1 3.41Å; E57-I90 HydrophobicContact CG-CD1 3.92Å; E57-I90 WeakPolarHBondContact OE1-CD1 3.26Å
91D89.1Confident81.1Confident22 Ų2264.5 Ų64.512%0.11835%0.346CS..EExtended strand (participates in β ladder)trans-82.7124.1173.7-178.725.7000111.3S20 L21 V49 S93S20-D91 PolarHBondContact OG-N 3.34Å; S20-D91 VanDerWaalsContact OG-N 3.12Å; L21-D91 HydrophobicContact CD1-CB 3.97Å; L21-D91 HydrophobicContact CD2-CB 4.22Å; L21-D91 HydrophobicContact CG-CB 4.05Å; V49-D91 HydrophobicContact CG1-CB 3.94Å; V49-D91 WeakPolarHBondContact CG1-OD1 3.44Å; V49-D91 HydrophobicContact CG2-CB 3.83Å; D91-S93 WeakPolarHBondContact OD1-CB 3.21Å; D91-S93 PolarHBondContact OD1-N 2.91Å; D91-S93 PolarHBondContact OD1-OG 3.25Å; D91-S93 PolarHBondContact OD2-OG 3.46Å
92R87.1Confident80.3Confident175 Ų17567.1 Ų67.166%0.6636%0.36SS*.  trans-103.80.2174.3-63.5-175.267.7-174.52.9113.6S53 D55 G94S53-R92 PolarHBondContact O-N 2.8Å; D55-R92 VanDerWaalsContact CG-CD 3.45Å; D55-R92 IonicContact OD1-NH1 3.88Å; D55-R92 WeakPolarHBondContact OD2-CD 3.4Å; D55-R92 IonicContact OD2-NH1 2.92Å; D55-R92 PolarHBondContact OD2-NH1 2.93Å; R92-G94 PolarHBondContact O-N 2.84Å
93S81.9Confident79.6Confident68 Ų6866.2 Ų66.248%0.47636%0.355SS..SBendtrans-68.9-19.7179.775.10000113.1D91 G95D91-S93 WeakPolarHBondContact OD1-CB 3.21Å; D91-S93 PolarHBondContact OD1-N 2.91Å; D91-S93 PolarHBondContact OD1-OG 3.25Å; D91-S93 PolarHBondContact OD2-OG 3.46Å; S93-G95 VanDerWaalsContact C-N 3.31Å; S93-G95 PolarHBondContact OG-N 2.82Å
94G70.1Confident79Confident66 Ų6666.9 Ų66.968%0.6837%0.367SS*.  trans77.716.4-174.600000113.3R92 Q96R92-G94 PolarHBondContact O-N 2.84Å; G94-Q96 PolarHBondContact O-N 3.3Å
95G66.3Low78.2Confident31 Ų3170.5 Ų70.532%0.3238%0.381SS..  trans-62.4126.8175.900000112S93 T97S93-G95 VanDerWaalsContact C-N 3.31Å; S93-G95 PolarHBondContact OG-N 2.82Å; G95-T97 PolarHBondContact O-N 3.49Å; G95-T97 PolarHBondContact O-OG1 3.07Å
96Q61.4Low77.8Confident142 Ų14274.9 Ų74.966%0.66441%0.408SS*.  trans-78.740.7172.5-75.3-170.6-29.800112.3G94 S98 E99G94-Q96 PolarHBondContact O-N 3.3Å; Q96-S98 PolarHBondContact O-N 3.1Å; Q96-E99 HydrophobicContact CB-CG 4.2Å; Q96-E99 PolarHBondContact O-N 2.86Å
97T61.9Low77.3Confident51 Ų5181.6 Ų81.631%0.31344%0.442SS..G310 helixtrans-69.1-18.5-177.86.20000112.7L21 G95 E99 L100L21-T97 VanDerWaalsContact CD1-OG1 3.26Å; L21-T97 WeakPolarHBondContact CD1-OG1 3.26Å; L21-T97 WeakPolarHBondContact CD2-OG1 3.38Å; G95-T97 PolarHBondContact O-N 3.49Å; G95-T97 PolarHBondContact O-OG1 3.07Å; T97-E99 PolarHBondContact O-N 2.63Å; T97-L100 HydrophobicContact CG2-CD1 4.11Å; T97-L100 PolarHBondContact O-N 3.04Å
98S61.5Low76.9Confident64 Ų6487.6 Ų87.645%0.44847%0.468SS..G310 helixtrans-61.9-27.1172.360.90000112.9L21 Q96 L100 F101L21-S98 WeakPolarHBondContact O-CA 3.46Å; Q96-S98 PolarHBondContact O-N 3.1Å; S98-L100 VanDerWaalsContact C-N 3.25Å; S98-L100 PolarHBondContact O-N 2.94Å; S98-F101 PolarHBondContact O-N 3.31Å
99E62.4Low76.6Confident83 Ų8393.2 Ų93.239%0.38849%0.492SS..G310 helixtrans-71.2-19.5-179.2-57.5-161.1160.300113.4Q96 T97 F101 D102 K105Q96-E99 HydrophobicContact CB-CG 4.2Å; Q96-E99 PolarHBondContact O-N 2.86Å; T97-E99 PolarHBondContact O-N 2.63Å; E99-F101 PolarHBondContact O-N 3.07Å; E99-D102 PolarHBondContact O-N 3.3Å; E99-K105 IonicContact OE1-NZ 3.31Å; E99-K105 PolarHBondContact OE1-NZ 3.17Å; E99-K105 IonicContact OE2-NZ 3.38Å; E99-K105 PolarHBondContact OE2-NZ 2.95Å
100L66.5Low76.2Confident142 Ų142101.5 Ų101.574%0.74353%0.53SS*.G310 helixtrans-72.1-20.5177-65174.5000112.9T97 S98T97-L100 HydrophobicContact CG2-CD1 4.11Å; T97-L100 PolarHBondContact O-N 3.04Å; S98-L100 VanDerWaalsContact C-N 3.25Å; S98-L100 PolarHBondContact O-N 2.94Å
101F67.3Low76.1Confident120 Ų120102 Ų10253%0.52653%0.534SS..G310 helixtrans-102.7-3.9179.8-57.7-72.6000112.8F24 S98 E99 D103F24-F101 AromaticContact CE2-CD1 3.86Å; F24-F101 HydrophobicContact CE2-CD1 3.86Å; F24-F101 HydrophobicContact CE2-CE1 4.11Å; F24-F101 HydrophobicContact CE2-CG 4.5Å; S98-F101 PolarHBondContact O-N 3.31Å; E99-F101 PolarHBondContact O-N 3.07Å; F101-D103 PolarHBondContact O-N 2.9Å
102D71.6Confident76.2Confident58 Ų58103.8 Ų103.831%0.3155%0.548SS..  trans-90.995176.7-177.516.3000110.2E99 S104 K105E99-D102 PolarHBondContact O-N 3.3Å; D102-S104 PolarHBondContact O-N 2.94Å; D102-S104 WeakPolarHBondContact OD1-CB 3.34Å; D102-S104 PolarHBondContact OD1-N 2.87Å; D102-S104 PolarHBondContact OD1-OG 2.79Å; D102-K105 WeakPolarHBondContact OD2-CE 3.37Å
103D74.7Confident76.2Confident88 Ų88100.5 Ų100.547%0.47154%0.543SS..G310 helixtrans-77-3.5176.872.6-32.7000112.9F101 K105 V106 K108F101-D103 PolarHBondContact O-N 2.9Å; D103-K105 PolarHBondContact O-N 3.48Å; D103-V106 PolarHBondContact O-N 3.49Å; D103-K108 WeakPolarHBondContact OD2-CE 3.37Å; D103-K108 IonicContact OD2-NZ 3.96Å; D103-K108 PolarHBondContact OD2-NZ 3.34Å
104S80Confident76.5Confident99 Ų99103.8 Ų103.869%0.69255%0.551SS**G310 helixtrans-66.6-27.1177.2-43.80000112.4D102 V106D102-S104 PolarHBondContact O-N 2.94Å; D102-S104 WeakPolarHBondContact OD1-CB 3.34Å; D102-S104 PolarHBondContact OD1-N 2.87Å; D102-S104 PolarHBondContact OD1-OG 2.79Å; S104-V106 VanDerWaalsContact C-N 3.33Å
105K77.8Confident77.4Confident129 Ų129102.4 Ų102.456%0.56153%0.533SS*.G310 helixtrans-84.7-8.5177.7-60.6-178.5-173.2178.90112.9E99 D102 D103E99-K105 IonicContact OE1-NZ 3.31Å; E99-K105 PolarHBondContact OE1-NZ 3.17Å; E99-K105 IonicContact OE2-NZ 3.38Å; E99-K105 PolarHBondContact OE2-NZ 2.95Å; D102-K105 WeakPolarHBondContact OD2-CE 3.37Å; D103-K105 PolarHBondContact O-N 3.48Å
106V83Confident78.2Confident94 Ų94104.8 Ų104.857%0.5753%0.533SS*.SBendtrans-89.7118.4179.6-177.60000108.8D103 S104 K108D103-V106 PolarHBondContact O-N 3.49Å; S104-V106 VanDerWaalsContact C-N 3.33Å; V106-K108 PolarHBondContact O-N 2.67Å
107E85.4Confident79.4Confident194 Ų194101 Ų10191%0.90752%0.516SS*.  trans-63.2107171.8-170.4178.2177.900109.2
108K86.9Confident80.7Confident125 Ų125106.3 Ų106.354%0.54354%0.537SS..  trans-78130.4178.7-65.8179.9-178.2176.90108.4D103 V106 E110D103-K108 WeakPolarHBondContact OD2-CE 3.37Å; D103-K108 IonicContact OD2-NZ 3.96Å; D103-K108 PolarHBondContact OD2-NZ 3.34Å; V106-K108 PolarHBondContact O-N 2.67Å; K108-E110 PolarHBondContact O-N 3.2Å; K108-E110 VanDerWaalsContact O-N 3.14Å
109F88.7Confident82Confident161 Ų161109.1 Ų109.171%0.70654%0.538SS*.  trans-69.2110.5172177.1-101000109.7L111F109-L111 HydrophobicContact CE1-CB 3.81Å; F109-L111 HydrophobicContact CE1-CD1 4.23Å; F109-L111 HydrophobicContact CE1-CG 4.44Å; F109-L111 HydrophobicContact CZ-CB 4.3Å; F109-L111 HydrophobicContact CZ-CD1 3.99Å
110E85.7Confident83.1Confident174 Ų174114.4 Ų114.481%0.81356%0.559SS**  trans-98.6127.5172.1-65.1-170.6170.900110K108K108-E110 PolarHBondContact O-N 3.2Å; K108-E110 VanDerWaalsContact O-N 3.14Å
111L88.5Confident84.1Confident57 Ų57117.2 Ų117.230%0.29857%0.569SS.*  trans-106.9118.8176.2-174.264.1000108.7F109 A115 Y116F109-L111 HydrophobicContact CE1-CB 3.81Å; F109-L111 HydrophobicContact CE1-CD1 4.23Å; F109-L111 HydrophobicContact CE1-CG 4.44Å; F109-L111 HydrophobicContact CZ-CB 4.3Å; F109-L111 HydrophobicContact CZ-CD1 3.99Å; L111-A115 HydrophobicContact CD1-CB 3.56Å; L111-A115 HydrophobicContact CG-CB 4.25Å; L111-Y116 HydrophobicContact CD2-CD2 3.5Å; L111-Y116 VanDerWaalsContact CD2-CD2 3.5Å; L111-Y116 HydrophobicContact CD2-CE2 4.46Å; L111-Y116 HydrophobicContact CD2-CG 4.12Å
112S91.8Very high85.1Confident59 Ų59112.1 Ų112.141%0.41355%0.548SS..  trans-60.7153.817894.40000111.4E114 A115 Y116S112-E114 VanDerWaalsContact C-N 3.25Å; S112-E114 WeakPolarHBondContact CB-OE2 3.25Å; S112-E114 PolarHBondContact O-N 2.96Å; S112-E114 PolarHBondContact OG-N 2.78Å; S112-E114 PolarHBondContact OG-OE2 3.28Å; S112-A115 PolarHBondContact O-N 3.23Å; S112-A115 WeakPolarHBondContact OG-CB 3.34Å; S112-A115 PolarHBondContact OG-N 3.18Å; S112-A115 VanDerWaalsContact OG-N 3.15Å; S112-Y116 WeakPolarHBondContact O-CB 3.31Å; S112-Y116 PolarHBondContact O-N 2.84Å
113D87.1Confident85.7Confident105 Ų105114.1 Ų114.156%0.56156%0.562SS**Hα-helixtrans-59.5-38179.5-93.3-47.4000112.1Y116 E117 R124D113-Y116 PolarHBondContact O-N 3.21Å; D113-E117 WeakPolarHBondContact O-CB 3.34Å; D113-E117 PolarHBondContact O-N 2.87Å; D113-R124 IonicContact OD1-NH1 2.72Å; D113-R124 PolarHBondContact OD1-NH1 3.01Å
114E88.5Confident86.1Confident137 Ų137112.5 Ų112.564%0.6455%0.549SS*.Hα-helixtrans-67.2-43.6177.4-53.673.6-157.300111S112 Y116 E117 Q118S112-E114 VanDerWaalsContact C-N 3.25Å; S112-E114 WeakPolarHBondContact CB-OE2 3.25Å; S112-E114 PolarHBondContact O-N 2.96Å; S112-E114 PolarHBondContact OG-N 2.78Å; S112-E114 PolarHBondContact OG-OE2 3.28Å; E114-Y116 VanDerWaalsContact C-N 3.32Å; E114-Y116 PolarHBondContact O-N 2.92Å; E114-E117 PolarHBondContact O-N 3.11Å; E114-Q118 VanDerWaalsContact O-CG 3.29Å; E114-Q118 WeakPolarHBondContact O-CG 3.32Å; E114-Q118 PolarHBondContact O-N 3.46Å
115A87.9Confident86.5Confident38 Ų38109.1 Ų109.131%0.31453%0.526SS..Hα-helixtrans-67-33.7177.900000111.9L111 S112L111-A115 HydrophobicContact CD1-CB 3.56Å; L111-A115 HydrophobicContact CG-CB 4.25Å; S112-A115 PolarHBondContact O-N 3.23Å; S112-A115 WeakPolarHBondContact OG-CB 3.34Å; S112-A115 PolarHBondContact OG-N 3.18Å; S112-A115 VanDerWaalsContact OG-N 3.15Å
116Y84.6Confident86.9Confident80 Ų80108.6 Ų108.631%0.31452%0.523SS..Hα-helixtrans-71.7-38.4174.4-168.6-122.2000112.3L111 S112 D113 E114 Q118 R119 R124L111-Y116 HydrophobicContact CD2-CD2 3.5Å; L111-Y116 VanDerWaalsContact CD2-CD2 3.5Å; L111-Y116 HydrophobicContact CD2-CE2 4.46Å; L111-Y116 HydrophobicContact CD2-CG 4.12Å; S112-Y116 WeakPolarHBondContact O-CB 3.31Å; S112-Y116 PolarHBondContact O-N 2.84Å; D113-Y116 PolarHBondContact O-N 3.21Å; E114-Y116 VanDerWaalsContact C-N 3.32Å; E114-Y116 PolarHBondContact O-N 2.92Å; Y116-Q118 VanDerWaalsContact C-N 3.29Å; Y116-Q118 PolarHBondContact O-N 3.13Å; Y116-R119 WeakPolarHBondContact O-CB 3.19Å; Y116-R119 PolarHBondContact O-N 2.88Å; Y116-R119 VanDerWaalsContact O-N 3.11Å; Y116-R124 HydrophobicContact CD1-CB 4.14Å; Y116-R124 VanDerWaalsContact CD1-CD 3.48Å; Y116-R124 HydrophobicContact CD1-CG 4.47Å; Y116-R124 HydrophobicContact CE1-CB 3.49Å; Y116-R124 VanDerWaalsContact CE1-CB 3.49Å; Y116-R124 HydrophobicContact CE1-CG 4.22Å
117E86.6Confident87Confident64 Ų64106.6 Ų106.630%0.29951%0.509SS..Hα-helixtrans-63.6-33.2176.7-171.372.5-154.700112.3D113 E114 R119 R124 K128D113-E117 WeakPolarHBondContact O-CB 3.34Å; D113-E117 PolarHBondContact O-N 2.87Å; E114-E117 PolarHBondContact O-N 3.11Å; E117-R119 PolarHBondContact O-N 3.29Å; E117-R124 IonicContact OE2-CZ 2.91Å; E117-R124 IonicContact OE2-NE 2.63Å; E117-R124 PolarHBondContact OE2-NE 2.94Å; E117-R124 IonicContact OE2-NH2 2.63Å; E117-R124 PolarHBondContact OE2-NH2 3.31Å; E117-K128 IonicContact OE1-NZ 4Å; E117-K128 PolarHBondContact OE1-NZ 3.16Å
118Q88.9Confident87Confident162 Ų162102.4 Ų102.476%0.75749%0.488SS*.THydrogen-bonded Turntrans-68-19175.4-68.5-87.9-9.100113.1E114 Y116 K120E114-Q118 VanDerWaalsContact O-CG 3.29Å; E114-Q118 WeakPolarHBondContact O-CG 3.32Å; E114-Q118 PolarHBondContact O-N 3.46Å; Y116-Q118 VanDerWaalsContact C-N 3.29Å; Y116-Q118 PolarHBondContact O-N 3.13Å; Q118-K120 PolarHBondContact O-N 3.24Å
119R88Confident87Confident123 Ų123104.9 Ų104.946%0.46450%0.499SS..  trans-78111.1-177.8-67.2-168.7-178.6-166.12.2111.6Y116 E117 E121 S122 S125Y116-R119 WeakPolarHBondContact O-CB 3.19Å; Y116-R119 PolarHBondContact O-N 2.88Å; Y116-R119 VanDerWaalsContact O-N 3.11Å; E117-R119 PolarHBondContact O-N 3.29Å; R119-E121 VanDerWaalsContact C-N 3.34Å; R119-E121 PolarHBondContact O-N 3.03Å; R119-S122 PolarHBondContact O-N 3.45Å; R119-S122 PolarHBondContact O-OG 3.07Å; R119-S125 WeakPolarHBondContact O-CB 3.27Å; R119-S125 PolarHBondContact O-OG 3.3Å
120K85.3Confident86.9Confident193 Ų193102.2 Ų102.284%0.83949%0.489SS*.THydrogen-bonded Turntrans-68.9-26.1-178.9-64.5-178.5-178.4176.20114.4Q118 S125Q118-K120 PolarHBondContact O-N 3.24Å; K120-S125 PolarHBondContact O-OG 2.88Å
121E87.8Confident86.8Confident202 Ų20298.4 Ų98.494%0.94447%0.474SS*.THydrogen-bonded Turntrans-101.320.2-179.2-58.9-176128.500112.9R119R119-E121 VanDerWaalsContact C-N 3.34Å; R119-E121 PolarHBondContact O-N 3.03Å
122S88.2Confident86.3Confident12 Ų1299.6 Ų99.68%0.08448%0.48CS..SBendtrans-83.7155.417767.90000111.8R119 R124 S125 F126R119-S122 PolarHBondContact O-N 3.45Å; R119-S122 PolarHBondContact O-OG 3.07Å; S122-R124 PolarHBondContact O-N 2.76Å; S122-S125 PolarHBondContact N-OG 2.84Å; S122-S125 VanDerWaalsContact N-OG 3.15Å; S122-S125 PolarHBondContact O-N 3.22Å; S122-S125 PolarHBondContact O-OG 3.33Å; S122-S125 WeakPolarHBondContact OG-CB 3.4Å; S122-S125 PolarHBondContact OG-N 3.24Å; S122-S125 PolarHBondContact OG-OG 3.16Å; S122-F126 PolarHBondContact O-N 2.96Å
123V84.9Confident85.7Confident101 Ų10199.5 Ų99.561%0.61249%0.488SS*.Hα-helixtrans-58.5-36.6170.9177.20000110.4F126 L127V123-F126 PolarHBondContact O-N 3.5Å; V123-L127 HydrophobicContact CG1-CD1 3.94Å; V123-L127 HydrophobicContact CG1-CG 4.23Å; V123-L127 WeakPolarHBondContact O-CB 3.24Å; V123-L127 VanDerWaalsContact O-CG 3.24Å; V123-L127 WeakPolarHBondContact O-CG 3.37Å; V123-L127 PolarHBondContact O-N 2.99Å
124R83.8Confident85.1Confident54 Ų54103.4 Ų103.420%0.20450%0.495CS..Hα-helixtrans-63-45.5176.6-177.9175.9173.8163.3-6.7112.5D113 Y116 E117 S122 F126 L127 K128 F135D113-R124 IonicContact OD1-NH1 2.72Å; D113-R124 PolarHBondContact OD1-NH1 3.01Å; Y116-R124 HydrophobicContact CD1-CB 4.14Å; Y116-R124 VanDerWaalsContact CD1-CD 3.48Å; Y116-R124 HydrophobicContact CD1-CG 4.47Å; Y116-R124 HydrophobicContact CE1-CB 3.49Å; Y116-R124 VanDerWaalsContact CE1-CB 3.49Å; Y116-R124 HydrophobicContact CE1-CG 4.22Å; E117-R124 IonicContact OE2-CZ 2.91Å; E117-R124 IonicContact OE2-NE 2.63Å; E117-R124 PolarHBondContact OE2-NE 2.94Å; E117-R124 IonicContact OE2-NH2 2.63Å; E117-R124 PolarHBondContact OE2-NH2 3.31Å; S122-R124 PolarHBondContact O-N 2.76Å; R124-F126 VanDerWaalsContact C-N 3.34Å; R124-L127 PolarHBondContact O-N 2.93Å; R124-K128 WeakPolarHBondContact O-CB 3.23Å; R124-K128 PolarHBondContact O-N 2.95Å; R124-F135 HydrophobicContact CG-CZ 4.09Å
125S86.6Confident84.5Confident28 Ų2898.8 Ų98.820%0.19647%0.473CS..Hα-helixtrans-65.7-37.6176.663.20000111.8R119 K120 S122 K129R119-S125 WeakPolarHBondContact O-CB 3.27Å; R119-S125 PolarHBondContact O-OG 3.3Å; K120-S125 PolarHBondContact O-OG 2.88Å; S122-S125 PolarHBondContact N-OG 2.84Å; S122-S125 VanDerWaalsContact N-OG 3.15Å; S122-S125 PolarHBondContact O-N 3.22Å; S122-S125 PolarHBondContact O-OG 3.33Å; S122-S125 WeakPolarHBondContact OG-CB 3.4Å; S122-S125 PolarHBondContact OG-N 3.24Å; S122-S125 PolarHBondContact OG-OG 3.16Å; S125-K129 VanDerWaalsContact O-CB 3.28Å; S125-K129 WeakPolarHBondContact O-CB 3.35Å; S125-K129 PolarHBondContact O-N 3.11Å
126F86.9Confident84.2Confident117 Ų11798.8 Ų98.851%0.51347%0.468SS..Hα-helixtrans-61.8-50.3173.4176.3-94.9000111.9S122 V123 R124 K128 K129 Q130 L132S122-F126 PolarHBondContact O-N 2.96Å; V123-F126 PolarHBondContact O-N 3.5Å; R124-F126 VanDerWaalsContact C-N 3.34Å; F126-K128 VanDerWaalsContact C-N 3.31Å; F126-K128 PolarHBondContact O-N 2.81Å; F126-K129 PolarHBondContact O-N 2.77Å; F126-Q130 HydrophobicContact CD2-CG 4.26Å; F126-Q130 HydrophobicContact CE1-CG 4.16Å; F126-Q130 HydrophobicContact CE2-CG 3.87Å; F126-Q130 HydrophobicContact CZ-CG 3.82Å; F126-Q130 WeakPolarHBondContact O-CB 3.36Å; F126-Q130 WeakPolarHBondContact O-CG 3.41Å; F126-Q130 PolarHBondContact O-N 3.01Å; F126-L132 HydrophobicContact CE1-CD1 4.21Å
127L86Confident83.8Confident53 Ų53102.5 Ų102.528%0.27749%0.488SS..Hα-helixtrans-61.4-38.9179.4-70.9172.4000112.2V123 R124 N131 L132 F135V123-L127 HydrophobicContact CG1-CD1 3.94Å; V123-L127 HydrophobicContact CG1-CG 4.23Å; V123-L127 WeakPolarHBondContact O-CB 3.24Å; V123-L127 VanDerWaalsContact O-CG 3.24Å; V123-L127 WeakPolarHBondContact O-CG 3.37Å; V123-L127 PolarHBondContact O-N 2.99Å; R124-L127 PolarHBondContact O-N 2.93Å; L127-N131 PolarHBondContact O-N 2.94Å; L127-N131 VanDerWaalsContact O-N 3.12Å; L127-L132 HydrophobicContact CD2-CB 3.76Å; L127-L132 HydrophobicContact CD2-CD1 4.14Å; L127-L132 PolarHBondContact O-N 2.95Å; L127-F135 HydrophobicContact CB-CD2 3.83Å; L127-F135 HydrophobicContact CB-CE2 3.87Å
128K85.3Confident83.5Confident105 Ų105105 Ų10546%0.45750%0.5SS..Hα-helixtrans-66.6-44.7174.8-168.9-179.6-171.8179.30111.7E117 R124 F126 Q130 N131 F135E117-K128 IonicContact OE1-NZ 4Å; E117-K128 PolarHBondContact OE1-NZ 3.16Å; R124-K128 WeakPolarHBondContact O-CB 3.23Å; R124-K128 PolarHBondContact O-N 2.95Å; F126-K128 VanDerWaalsContact C-N 3.31Å; F126-K128 PolarHBondContact O-N 2.81Å; K128-Q130 VanDerWaalsContact C-N 3.3Å; K128-Q130 PolarHBondContact O-N 3.16Å; K128-N131 PolarHBondContact O-N 3.32Å; K128-N131 PolarHBondContact O-OD1 3.29Å; K128-F135 HydrophobicContact CB-CD1 4.23Å; K128-F135 HydrophobicContact CB-CE1 4.43Å; K128-F135 HydrophobicContact CB-CG 4.26Å; K128-F135 HydrophobicContact CG-CD1 4.15Å
129K85.4Confident83Confident177 Ų177100.8 Ų100.877%0.7748%0.48SS*.Hα-helixtrans-64.3-34179.1-174.4175.9179.7-178.10112.7S125 F126S125-K129 VanDerWaalsContact O-CB 3.28Å; S125-K129 WeakPolarHBondContact O-CB 3.35Å; S125-K129 PolarHBondContact O-N 3.11Å; F126-K129 PolarHBondContact O-N 2.77Å
130Q87.8Confident82.5Confident105 Ų10596.8 Ų96.849%0.49147%0.473SS..THydrogen-bonded Turntrans-92.12.4179.5-63.2-61.5-34.600113.4F126 K128 L132F126-Q130 HydrophobicContact CD2-CG 4.26Å; F126-Q130 HydrophobicContact CE1-CG 4.16Å; F126-Q130 HydrophobicContact CE2-CG 3.87Å; F126-Q130 HydrophobicContact CZ-CG 3.82Å; F126-Q130 WeakPolarHBondContact O-CB 3.36Å; F126-Q130 WeakPolarHBondContact O-CG 3.41Å; F126-Q130 PolarHBondContact O-N 3.01Å; K128-Q130 VanDerWaalsContact C-N 3.3Å; K128-Q130 PolarHBondContact O-N 3.16Å; Q130-L132 VanDerWaalsContact C-N 3.29Å; Q130-L132 HydrophobicContact CB-CD1 3.69Å; Q130-L132 HydrophobicContact CB-CG 3.83Å; Q130-L132 HydrophobicContact CG-CD1 4.49Å; Q130-L132 PolarHBondContact O-N 3.32Å
131N83.3Confident82.4Confident94 Ų9491.6 Ų91.650%0.50346%0.457SS..THydrogen-bonded Turntrans48.248.6-174.4-88.3-11.1000113L127 K128 F135 N136L127-N131 PolarHBondContact O-N 2.94Å; L127-N131 VanDerWaalsContact O-N 3.12Å; K128-N131 PolarHBondContact O-N 3.32Å; K128-N131 PolarHBondContact O-OD1 3.29Å; N131-F135 PolarHBondContact OD1-O 2.95Å; N131-N136 WeakPolarHBondContact O-CB 3.27Å
132L77.6Confident82.2Confident83 Ų8387.8 Ų87.844%0.43544%0.438SS..  trans-98.6142.4-178.6-71.4169.3000112F126 L127 Q130 R134 F135F126-L132 HydrophobicContact CE1-CD1 4.21Å; L127-L132 HydrophobicContact CD2-CB 3.76Å; L127-L132 HydrophobicContact CD2-CD1 4.14Å; L127-L132 PolarHBondContact O-N 2.95Å; Q130-L132 VanDerWaalsContact C-N 3.29Å; Q130-L132 HydrophobicContact CB-CD1 3.69Å; Q130-L132 HydrophobicContact CB-CG 3.83Å; Q130-L132 HydrophobicContact CG-CD1 4.49Å; Q130-L132 PolarHBondContact O-N 3.32Å; L132-R134 PolarHBondContact O-N 3.25Å; L132-F135 PolarHBondContact O-N 3.4Å
133G80Confident82Confident56 Ų5692.5 Ų92.558%0.57746%0.457SS*.G310 helixtrans60.9-121.1174.100000112.6F135 N136G133-F135 PolarHBondContact O-N 3.12Å; G133-F135 VanDerWaalsContact O-N 3.16Å; G133-N136 PolarHBondContact O-N 3.44Å
134R73.5Confident81.9Confident187 Ų18794.7 Ų94.771%0.70646%0.458SS*.G310 helixtrans-65.8-14.1-17768.1-177.3178-137.32.9114.9L132L132-R134 PolarHBondContact O-N 3.25Å
135F76.1Confident82Confident40 Ų4094.2 Ų94.218%0.17547%0.466CS..G310 helixtrans-92.6-8.1-179.9-59.7-73.5000113.1R124 L127 K128 N131 L132 G133 E137R124-F135 HydrophobicContact CG-CZ 4.09Å; L127-F135 HydrophobicContact CB-CD2 3.83Å; L127-F135 HydrophobicContact CB-CE2 3.87Å; K128-F135 HydrophobicContact CB-CD1 4.23Å; K128-F135 HydrophobicContact CB-CE1 4.43Å; K128-F135 HydrophobicContact CB-CG 4.26Å; K128-F135 HydrophobicContact CG-CD1 4.15Å; N131-F135 PolarHBondContact OD1-O 2.95Å; L132-F135 PolarHBondContact O-N 3.4Å; G133-F135 PolarHBondContact O-N 3.12Å; G133-F135 VanDerWaalsContact O-N 3.16Å; F135-E137 PolarHBondContact O-N 2.83Å
136N81.8Confident82.1Confident39 Ų3999.1 Ų99.121%0.20949%0.486CS..  trans-7789.1172.1-166.4-9.9000109.9N131 G133 E138 E139 A140N131-N136 WeakPolarHBondContact O-CB 3.27Å; G133-N136 PolarHBondContact O-N 3.44Å; N136-E138 PolarHBondContact O-N 2.83Å; N136-E138 PolarHBondContact OD1-N 3.39Å; N136-E139 HydrophobicContact CB-CB 3.91Å; N136-E139 WeakPolarHBondContact ND2-CB 3.28Å; N136-E139 PolarHBondContact ND2-OE2 2.9Å; N136-E139 PolarHBondContact O-N 3.32Å; N136-E139 PolarHBondContact OD1-N 2.76Å; N136-A140 WeakPolarHBondContact O-CB 3.5Å; N136-A140 PolarHBondContact O-N 3.44Å
137E77.3Confident82Confident157 Ų15798.3 Ų98.373%0.73449%0.486SS*.Hα-helixtrans-59.8-33.9-178.8-65.4-176.6174.300112.4F135 A140 T141F135-E137 PolarHBondContact O-N 2.83Å; E137-A140 PolarHBondContact O-N 2.8Å; E137-T141 WeakPolarHBondContact O-CB 3.45Å; E137-T141 VanDerWaalsContact O-CG2 3.24Å; E137-T141 WeakPolarHBondContact O-CG2 3.4Å; E137-T141 PolarHBondContact O-N 2.95Å; E137-T141 PolarHBondContact O-OG1 3.27Å
138E78.9Confident82Confident117 Ų11799 Ų9955%0.54749%0.493SS..Hα-helixtrans-68-42.9177.8-165.9-173.6161.900111.5N136 T141 K142N136-E138 PolarHBondContact O-N 2.83Å; N136-E138 PolarHBondContact OD1-N 3.39Å; E138-T141 WeakPolarHBondContact CA-OG1 3.35Å; E138-T141 PolarHBondContact O-OG1 3.2Å; E138-K142 HydrophobicContact CG-CD 4.36Å; E138-K142 VanDerWaalsContact O-CB 3.32Å; E138-K142 WeakPolarHBondContact O-CB 3.42Å; E138-K142 WeakPolarHBondContact O-CG 3.24Å; E138-K142 PolarHBondContact O-N 2.8Å; E138-K142 VanDerWaalsContact OE1-CE 3.25Å; E138-K142 WeakPolarHBondContact OE1-CE 3.42Å; E138-K142 IonicContact OE1-NZ 3.17Å; E138-K142 PolarHBondContact OE1-NZ 2.93Å
139E78.1Confident82.1Confident74 Ų7498.1 Ų98.135%0.34649%0.492SS..Hα-helixtrans-71.4-36.1176.4-169.4-175.7161.700111.6N136 K142 K143N136-E139 HydrophobicContact CB-CB 3.91Å; N136-E139 WeakPolarHBondContact ND2-CB 3.28Å; N136-E139 PolarHBondContact ND2-OE2 2.9Å; N136-E139 PolarHBondContact O-N 3.32Å; N136-E139 PolarHBondContact OD1-N 2.76Å; E139-K142 PolarHBondContact O-N 2.8Å; E139-K143 HydrophobicContact CG-CD 4.35Å; E139-K143 WeakPolarHBondContact O-CB 3.49Å; E139-K143 VanDerWaalsContact O-CG 3.31Å; E139-K143 WeakPolarHBondContact O-CG 3.22Å; E139-K143 PolarHBondContact O-N 2.76Å; E139-K143 VanDerWaalsContact OE1-CE 3.23Å; E139-K143 WeakPolarHBondContact OE1-CE 3.42Å; E139-K143 IonicContact OE1-NZ 2.65Å; E139-K143 PolarHBondContact OE1-NZ 2.95Å
140A78.7Confident82.2Confident38 Ų3896.5 Ų96.531%0.31448%0.481SS..Hα-helixtrans-65.7-42.3175.700000111.9N136 E137 K144N136-A140 WeakPolarHBondContact O-CB 3.5Å; N136-A140 PolarHBondContact O-N 3.44Å; E137-A140 PolarHBondContact O-N 2.8Å; A140-K144 WeakPolarHBondContact O-CB 3.39Å; A140-K144 VanDerWaalsContact O-CG 3.27Å; A140-K144 WeakPolarHBondContact O-CG 3.46Å; A140-K144 PolarHBondContact O-N 3.35Å
141T82.4Confident82.1Confident84 Ų8496.8 Ų96.852%0.51548%0.483SS..Hα-helixtrans-68.2-42.3175.549.80000111.4E137 E138 K144 A145E137-T141 WeakPolarHBondContact O-CB 3.45Å; E137-T141 VanDerWaalsContact O-CG2 3.24Å; E137-T141 WeakPolarHBondContact O-CG2 3.4Å; E137-T141 PolarHBondContact O-N 2.95Å; E137-T141 PolarHBondContact O-OG1 3.27Å; E138-T141 WeakPolarHBondContact CA-OG1 3.35Å; E138-T141 PolarHBondContact O-OG1 3.2Å; T141-K144 PolarHBondContact O-N 2.88Å; T141-A145 WeakPolarHBondContact O-CB 3.42Å; T141-A145 PolarHBondContact O-N 2.85Å
142K84.5Confident82.3Confident122 Ų12298.4 Ų98.453%0.5349%0.487SS..Hα-helixtrans-58.6-47.5172.7-76172.7-176172.60112.2E138 E139 K144 A145 E146E138-K142 HydrophobicContact CG-CD 4.36Å; E138-K142 VanDerWaalsContact O-CB 3.32Å; E138-K142 WeakPolarHBondContact O-CB 3.42Å; E138-K142 WeakPolarHBondContact O-CG 3.24Å; E138-K142 PolarHBondContact O-N 2.8Å; E138-K142 VanDerWaalsContact OE1-CE 3.25Å; E138-K142 WeakPolarHBondContact OE1-CE 3.42Å; E138-K142 IonicContact OE1-NZ 3.17Å; E138-K142 PolarHBondContact OE1-NZ 2.93Å; E139-K142 PolarHBondContact O-N 2.8Å; K142-K144 PolarHBondContact O-N 2.8Å; K142-A145 PolarHBondContact O-N 3.23Å; K142-E146 WeakPolarHBondContact O-CB 3.37Å; K142-E146 PolarHBondContact O-N 3.13Å
143K83.2Confident82.7Confident112 Ų11299.5 Ų99.549%0.48749%0.49SS..Hα-helixtrans-62.8-41.2176.4-76.8177.1-177.2168.30112.2E139 E146 L147E139-K143 HydrophobicContact CG-CD 4.35Å; E139-K143 WeakPolarHBondContact O-CB 3.49Å; E139-K143 VanDerWaalsContact O-CG 3.31Å; E139-K143 WeakPolarHBondContact O-CG 3.22Å; E139-K143 PolarHBondContact O-N 2.76Å; E139-K143 VanDerWaalsContact OE1-CE 3.23Å; E139-K143 WeakPolarHBondContact OE1-CE 3.42Å; E139-K143 IonicContact OE1-NZ 2.65Å; E139-K143 PolarHBondContact OE1-NZ 2.95Å; K143-E146 PolarHBondContact O-N 2.73Å; K143-L147 WeakPolarHBondContact O-CB 3.15Å; K143-L147 WeakPolarHBondContact O-CG 3.23Å; K143-L147 PolarHBondContact O-N 2.8Å
144K83.4Confident83Confident146 Ų14697.6 Ų97.664%0.63547%0.466SS*.Hα-helixtrans-63.1-45.1174.9-76.6176.5-179.3-176.50111.4A140 T141 K142 L147 T148A140-K144 WeakPolarHBondContact O-CB 3.39Å; A140-K144 VanDerWaalsContact O-CG 3.27Å; A140-K144 WeakPolarHBondContact O-CG 3.46Å; A140-K144 PolarHBondContact O-N 3.35Å; T141-K144 PolarHBondContact O-N 2.88Å; K142-K144 PolarHBondContact O-N 2.8Å; K144-L147 PolarHBondContact O-N 2.75Å; K144-T148 WeakPolarHBondContact O-CG2 3.39Å; K144-T148 PolarHBondContact O-N 3.3Å; K144-T148 PolarHBondContact O-OG1 3.17Å
145A86Confident83.7Confident45 Ų4593.8 Ų93.837%0.37246%0.455SS..Hα-helixtrans-63.8-41.1176.900000112.1T141 K142 T148 I149T141-A145 WeakPolarHBondContact O-CB 3.42Å; T141-A145 PolarHBondContact O-N 2.85Å; K142-A145 PolarHBondContact O-N 3.23Å; A145-T148 WeakPolarHBondContact CA-OG1 3.48Å; A145-T148 PolarHBondContact O-N 2.9Å; A145-T148 PolarHBondContact O-OG1 2.99Å; A145-I149 WeakPolarHBondContact O-CB 3.46Å; A145-I149 WeakPolarHBondContact O-CD1 3.2Å; A145-I149 WeakPolarHBondContact O-CG1 3.32Å; A145-I149 PolarHBondContact O-N 3.39Å
146E87.6Confident84.3Confident131 Ų13196.3 Ų96.361%0.61247%0.474SS*.Hα-helixtrans-64.6-41.4175.5-172.4-176.3172.200111.6K142 K143 I149 R150K142-E146 WeakPolarHBondContact O-CB 3.37Å; K142-E146 PolarHBondContact O-N 3.13Å; K143-E146 PolarHBondContact O-N 2.73Å; E146-I149 PolarHBondContact O-N 3.01Å; E146-R150 VanDerWaalsContact O-CB 3.26Å; E146-R150 WeakPolarHBondContact O-CB 3.38Å; E146-R150 PolarHBondContact O-N 3.02Å
147L85Confident84.6Confident100 Ų10095.6 Ų95.652%0.52447%0.473SS..Hα-helixtrans-62.5-45.1174.3-74.6169.3000111.6K143 K144 R150 E151K143-L147 WeakPolarHBondContact O-CB 3.15Å; K143-L147 WeakPolarHBondContact O-CG 3.23Å; K143-L147 PolarHBondContact O-N 2.8Å; K144-L147 PolarHBondContact O-N 2.75Å; L147-R150 PolarHBondContact O-N 3.26Å; L147-E151 WeakPolarHBondContact O-CB 3.24Å; L147-E151 WeakPolarHBondContact O-CG 3.46Å; L147-E151 PolarHBondContact O-N 3.21Å
148T85.9Confident85.1Confident67 Ų6788.4 Ų88.441%0.41144%0.44SS..Hα-helixtrans-63.3-43.3177.350.90000111.5K144 A145 R150 E151 E152K144-T148 WeakPolarHBondContact O-CG2 3.39Å; K144-T148 PolarHBondContact O-N 3.3Å; K144-T148 PolarHBondContact O-OG1 3.17Å; A145-T148 WeakPolarHBondContact CA-OG1 3.48Å; A145-T148 PolarHBondContact O-N 2.9Å; A145-T148 PolarHBondContact O-OG1 2.99Å; T148-R150 VanDerWaalsContact C-N 3.31Å; T148-R150 PolarHBondContact O-N 3.37Å; T148-E151 PolarHBondContact O-N 3.04Å; T148-E152 WeakPolarHBondContact O-CG 3.45Å; T148-E152 PolarHBondContact O-N 3.28Å
149I88.4Confident85.6Confident87 Ų8789.3 Ų89.345%0.44644%0.444SS..Hα-helixtrans-59.9-43.9175.1-68.7162.2000110.3A145 E146 E151 E152 Q153A145-I149 WeakPolarHBondContact O-CB 3.46Å; A145-I149 WeakPolarHBondContact O-CD1 3.2Å; A145-I149 WeakPolarHBondContact O-CG1 3.32Å; A145-I149 PolarHBondContact O-N 3.39Å; E146-I149 PolarHBondContact O-N 3.01Å; I149-E151 VanDerWaalsContact C-N 3.34Å; I149-E151 PolarHBondContact O-N 2.92Å; I149-E152 PolarHBondContact O-N 3.35Å; I149-Q153 HydrophobicContact CG2-CG 4.49Å; I149-Q153 WeakPolarHBondContact O-CB 3.49Å; I149-Q153 VanDerWaalsContact O-CG 3.27Å; I149-Q153 WeakPolarHBondContact O-CG 3.41Å; I149-Q153 PolarHBondContact O-N 2.93Å
150R86.8Confident86.2Confident142 Ų14289.6 Ų89.654%0.53646%0.459SS..Hα-helixtrans-68.6-32179.7-168.5-174.8176.2168.40.8112.8E146 L147 T148 Q154E146-R150 VanDerWaalsContact O-CB 3.26Å; E146-R150 WeakPolarHBondContact O-CB 3.38Å; E146-R150 PolarHBondContact O-N 3.02Å; L147-R150 PolarHBondContact O-N 3.26Å; T148-R150 VanDerWaalsContact C-N 3.31Å; T148-R150 PolarHBondContact O-N 3.37Å; R150-Q154 WeakPolarHBondContact O-CB 3.23Å; R150-Q154 WeakPolarHBondContact O-CG 3.48Å; R150-Q154 PolarHBondContact O-N 3.41Å; R150-Q154 PolarHBondContact O-NE2 3.4Å; R150-Q154 VanDerWaalsContact O-NE2 3.1Å
151E85.3Confident86.8Confident112 Ų11288.5 Ų88.552%0.52345%0.448SS..Hα-helixtrans-71.2-43.6174.3-76.8178.7170.200111.3L147 T148 I149 Q154 K155L147-E151 WeakPolarHBondContact O-CB 3.24Å; L147-E151 WeakPolarHBondContact O-CG 3.46Å; L147-E151 PolarHBondContact O-N 3.21Å; T148-E151 PolarHBondContact O-N 3.04Å; I149-E151 VanDerWaalsContact C-N 3.34Å; I149-E151 PolarHBondContact O-N 2.92Å; E151-Q154 PolarHBondContact O-N 2.96Å; E151-K155 WeakPolarHBondContact O-CB 3.47Å; E151-K155 PolarHBondContact O-N 2.81Å
152E87.3Confident87.3Confident127 Ų12787.6 Ų87.659%0.59345%0.445SS*.Hα-helixtrans-60.3-46.7173-73.1173.2-178.700111.2T148 I149 Q154 K155 T156T148-E152 WeakPolarHBondContact O-CG 3.45Å; T148-E152 PolarHBondContact O-N 3.28Å; I149-E152 PolarHBondContact O-N 3.35Å; E152-Q154 VanDerWaalsContact C-N 3.34Å; E152-Q154 PolarHBondContact O-N 3.41Å; E152-K155 WeakPolarHBondContact O-CB 3.48Å; E152-K155 PolarHBondContact O-N 3.45Å; E152-K155 VanDerWaalsContact O-N 3.11Å; E152-T156 PolarHBondContact O-N 3.23Å; E152-T156 PolarHBondContact O-OG1 2.87Å; E152-T156 VanDerWaalsContact O-OG1 3.08Å
153Q86.6Confident87.7Confident106 Ų10686 Ų8650%0.49545%0.445SS..Hα-helixtrans-59.4-42.6174.5-74.6175.2-5.100112.3I149 K155 A157I149-Q153 HydrophobicContact CG2-CG 4.49Å; I149-Q153 WeakPolarHBondContact O-CB 3.49Å; I149-Q153 VanDerWaalsContact O-CG 3.27Å; I149-Q153 WeakPolarHBondContact O-CG 3.41Å; I149-Q153 PolarHBondContact O-N 2.93Å; Q153-K155 VanDerWaalsContact C-N 3.31Å; Q153-K155 PolarHBondContact O-N 3.4Å; Q153-A157 VanDerWaalsContact O-CB 3.26Å; Q153-A157 WeakPolarHBondContact O-CB 3.41Å; Q153-A157 PolarHBondContact O-N 2.85Å
154Q87.2Confident88.1Confident17 Ų1783.2 Ų83.28%0.07945%0.448CS..Hα-helixtrans-63.8-36.9174.9-84.4171.378.100112.2R150 E151 E152 A158 K227 L229R150-Q154 WeakPolarHBondContact O-CB 3.23Å; R150-Q154 WeakPolarHBondContact O-CG 3.48Å; R150-Q154 PolarHBondContact O-N 3.41Å; R150-Q154 PolarHBondContact O-NE2 3.4Å; R150-Q154 VanDerWaalsContact O-NE2 3.1Å; E151-Q154 PolarHBondContact O-N 2.96Å; E152-Q154 VanDerWaalsContact C-N 3.34Å; E152-Q154 PolarHBondContact O-N 3.41Å; Q154-A158 WeakPolarHBondContact O-CB 3.47Å; Q154-A158 PolarHBondContact O-N 3.28Å; Q154-K227 VanDerWaalsContact OE1-NZ 3.1Å; Q154-L229 HydrophobicContact CG-CD1 4.02Å; Q154-L229 HydrophobicContact CG-CG 4.23Å
155K87Confident88.5Confident107 Ų10777.8 Ų77.847%0.46543%0.429SS..Hα-helixtrans-68.5-49.4178.3-174.2-177.9177-164.50111.1E151 E152 Q153 A157 A158 E159E151-K155 WeakPolarHBondContact O-CB 3.47Å; E151-K155 PolarHBondContact O-N 2.81Å; E152-K155 WeakPolarHBondContact O-CB 3.48Å; E152-K155 PolarHBondContact O-N 3.45Å; E152-K155 VanDerWaalsContact O-N 3.11Å; Q153-K155 VanDerWaalsContact C-N 3.31Å; Q153-K155 PolarHBondContact O-N 3.4Å; K155-A157 VanDerWaalsContact C-N 3.3Å; K155-A157 PolarHBondContact O-N 3.19Å; K155-A158 WeakPolarHBondContact O-CB 3.37Å; K155-A158 PolarHBondContact O-N 2.95Å; K155-A158 VanDerWaalsContact O-N 3.09Å; K155-E159 WeakPolarHBondContact CE-OE1 3.28Å; K155-E159 WeakPolarHBondContact O-CG 3.35Å; K155-E159 PolarHBondContact O-N 3.37Å
156T88.4Confident88.9Confident93 Ų9378.3 Ų78.357%0.57142%0.421SS*.Hα-helixtrans-59.8-41.7176-53.50000111.5E152 E159 A160E152-T156 PolarHBondContact O-N 3.23Å; E152-T156 PolarHBondContact O-OG1 2.87Å; E152-T156 VanDerWaalsContact O-OG1 3.08Å; T156-E159 PolarHBondContact O-N 2.89Å; T156-A160 PolarHBondContact O-N 3.24Å; T156-A160 VanDerWaalsContact O-N 3.14Å
157A88.8Confident89.1Confident24 Ų2472.1 Ų72.120%0.19839%0.392CS..Hα-helixtrans-65.2-37.9174.900000112.4Q153 K155 A160 I161 P228 L229Q153-A157 VanDerWaalsContact O-CB 3.26Å; Q153-A157 WeakPolarHBondContact O-CB 3.41Å; Q153-A157 PolarHBondContact O-N 2.85Å; K155-A157 VanDerWaalsContact C-N 3.3Å; K155-A157 PolarHBondContact O-N 3.19Å; A157-A160 PolarHBondContact O-N 3.33Å; A157-I161 WeakPolarHBondContact O-CD1 3.45Å; A157-I161 VanDerWaalsContact O-CG1 3.27Å; A157-I161 WeakPolarHBondContact O-CG1 3.45Å; A157-I161 PolarHBondContact O-N 3.48Å; A157-P228 HydrophobicContact CB-CB 3.79Å; A157-L229 HydrophobicContact CB-CD2 4Å
158A88.3Confident89.5Confident5 Ų569.6 Ų69.64%0.04138%0.377CS..Hα-helixtrans-65.5-40.917500000111.7Q154 K155 A160 I161 V184 H193 P228Q154-A158 WeakPolarHBondContact O-CB 3.47Å; Q154-A158 PolarHBondContact O-N 3.28Å; K155-A158 WeakPolarHBondContact O-CB 3.37Å; K155-A158 PolarHBondContact O-N 2.95Å; K155-A158 VanDerWaalsContact O-N 3.09Å; A158-A160 VanDerWaalsContact C-N 3.26Å; A158-A160 PolarHBondContact O-N 2.9Å; A158-I161 PolarHBondContact O-N 3.22Å; A158-I161 VanDerWaalsContact O-N 3.14Å; A158-V184 HydrophobicContact CB-CG1 3.89Å; A158-V184 WeakPolarHBondContact O-CG1 3.26Å; A158-H193 HydrophobicContact CB-CB 4Å; A158-P228 HydrophobicContact CB-CB 4.22Å; A158-P228 HydrophobicContact CB-CG 3.86Å
159E89.1Confident89.9Confident136 Ų13666.5 Ų66.564%0.63636%0.358SS*.Hα-helixtrans-65.5-28.4177.9-71.4172.5-173.100112.9K155 T156 I161K155-E159 WeakPolarHBondContact CE-OE1 3.28Å; K155-E159 WeakPolarHBondContact O-CG 3.35Å; K155-E159 PolarHBondContact O-N 3.37Å; T156-E159 PolarHBondContact O-N 2.89Å; E159-I161 VanDerWaalsContact C-N 3.3Å
160A90.1Very high90.1Very high80 Ų8066.3 Ų66.366%0.66136%0.356SS*.Hα-helixtrans-75-17.117500000113.7T156 A157 A158T156-A160 PolarHBondContact O-N 3.24Å; T156-A160 VanDerWaalsContact O-N 3.14Å; A157-A160 PolarHBondContact O-N 3.33Å; A158-A160 VanDerWaalsContact C-N 3.26Å; A158-A160 PolarHBondContact O-N 2.9Å
161I92.1Very high90.3Very high16 Ų1661.4 Ų61.48%0.08234%0.341CS..  trans-95.4115.8-176.1-64.5167.7000109.4A157 A158 E159 V181 V184 V195 P228 V231 V233A157-I161 WeakPolarHBondContact O-CD1 3.45Å; A157-I161 VanDerWaalsContact O-CG1 3.27Å; A157-I161 WeakPolarHBondContact O-CG1 3.45Å; A157-I161 PolarHBondContact O-N 3.48Å; A158-I161 PolarHBondContact O-N 3.22Å; A158-I161 VanDerWaalsContact O-N 3.14Å; E159-I161 VanDerWaalsContact C-N 3.3Å; I161-V181 HydrophobicContact CG2-CB 4.41Å; I161-V181 HydrophobicContact CG2-CG1 3.89Å; I161-V181 HydrophobicContact CG2-CG2 3.86Å; I161-V184 HydrophobicContact CB-CG2 4.29Å; I161-V184 HydrophobicContact CG2-CG2 3.72Å; I161-V195 HydrophobicContact CD1-CG2 3.83Å; I161-V195 HydrophobicContact CG2-CG1 4.33Å; I161-P228 HydrophobicContact CD1-CB 4.17Å; I161-V231 HydrophobicContact CD1-CB 3.93Å; I161-V231 HydrophobicContact CD1-CG1 4.15Å; I161-V233 HydrophobicContact CB-CG2 4.19Å; I161-V233 HydrophobicContact CG1-CG2 3.91Å; I161-V233 HydrophobicContact CG2-CG2 3.77Å
162S91.6Very high90.4Very high64 Ų6461.6 Ų61.645%0.44835%0.352SS..  trans-88.8137.2173.549.40000112S165S162-S165 WeakPolarHBondContact O-CB 3.43Å; S162-S165 PolarHBondContact O-N 3.45Å; S162-S165 PolarHBondContact O-OG 2.94Å; S162-S165 PolarHBondContact OG-OG 3.03Å
163V94Very high90.4Very high89 Ų8959.8 Ų59.854%0.53937%0.368SS..THydrogen-bonded Turntrans-66138.1172.8-179.90000109.6V184V163-V184 HydrophobicContact CG2-CB 4.31Å; V163-V184 HydrophobicContact CG2-CG2 3.97Å
164G91.9Very high90.4Very high53 Ų5359.1 Ų59.155%0.54636%0.364SS..THydrogen-bonded Turntrans93-10.2-17700000114.4V181G164-V181 WeakPolarHBondContact CA-O 3.42Å; G164-V181 PolarHBondContact N-O 2.82Å
165S91.1Very high90.4Very high33 Ų3362.7 Ų62.723%0.23139%0.389CS..  trans-79.5148.7180-610000112.5S162 V181 V233S162-S165 WeakPolarHBondContact O-CB 3.43Å; S162-S165 PolarHBondContact O-N 3.45Å; S162-S165 PolarHBondContact O-OG 2.94Å; S162-S165 PolarHBondContact OG-OG 3.03Å; S165-V181 PolarHBondContact O-N 3.19Å; S165-V233 VanDerWaalsContact CB-CG1 3.41Å
166R94.2Very high90.6Very high56 Ų5661.2 Ų61.221%0.21139%0.39CS..EExtended strand (participates in β ladder)trans-67.8138.1170.5-67.1-63.7-63.3170.4-0.2110T180 D200 V233 G234 F236R166-T180 PolarHBondContact NH1-OG1 3.33Å; R166-T180 VanDerWaalsContact NH1-OG1 3.13Å; R166-D200 IonicContact CZ-OD1 3.91Å; R166-D200 IonicContact CZ-OD2 3.77Å; R166-D200 IonicContact NH1-OD1 3.9Å; R166-D200 PolarHBondContact NH1-OD1 3.47Å; R166-D200 IonicContact NH1-OD2 3.69Å; R166-D200 PolarHBondContact NH1-OD2 2.96Å; R166-D200 IonicContact NH2-OD1 2.92Å; R166-D200 IonicContact NH2-OD2 3.2Å; R166-D200 PolarHBondContact NH2-OD2 2.72Å; R166-V233 WeakPolarHBondContact O-CA 3.42Å; R166-G234 WeakPolarHBondContact CB-O 3.28Å; R166-G234 PolarHBondContact O-N 2.78Å; R166-G234 VanDerWaalsContact O-N 3.1Å; R166-G234 VanDerWaalsContact O-O 3.13Å; R166-F236 PolarHBondContact NE-O 3.29Å; R166-F236 PolarHBondContact NH2-O 3.05Å
167C93Very high90.8Very high0 Ų058 Ų580%037%0.367CS..EExtended strand (participates in β ladder)trans-143151.6-177.169.20000112.8G179 V181 V231 T232 V233C167-G179 PolarHBondContact N-O 3.11Å; C167-G179 PolarHBondContact O-N 3.42Å; C167-V181 HydrophobicContact CB-CG2 3.78Å; C167-V181 VanDerWaalsContact SG-CG2 3.55Å; C167-V231 HydrophobicContact CB-CG1 3.68Å; C167-T232 CarbonylContact C-O 3.48Å; C167-T232 VanDerWaalsContact CA-O 3.26Å; C167-T232 WeakPolarHBondContact CA-O 3.43Å; C167-V233 HydrophobicContact CB-CG2 4.38Å
168K93.3Very high91Very high48 Ų4858.3 Ų58.321%0.20937%0.366CS..EExtended strand (participates in β ladder)trans-107.6128.6170-176.2-178.367.2146.10108.3E170 T176 L178 T232 F236K168-E170 HydrophobicContact CD-CG 4.41Å; K168-E170 VanDerWaalsContact CE-CD 3.45Å; K168-E170 WeakPolarHBondContact CE-OE2 3.47Å; K168-E170 HydrophobicContact CG-CG 4.27Å; K168-E170 IonicContact NZ-OE1 2.94Å; K168-E170 PolarHBondContact NZ-OE1 2.7Å; K168-E170 IonicContact NZ-OE2 2.75Å; K168-E170 PolarHBondContact NZ-OE2 3.35Å; K168-T176 HydrophobicContact CD-CG2 3.61Å; K168-T176 HydrophobicContact CG-CG2 3.37Å; K168-L178 HydrophobicContact CB-CD2 3.88Å; K168-L178 HydrophobicContact CG-CD2 3.84Å; K168-T232 PolarHBondContact N-O 3.33Å; K168-T232 PolarHBondContact O-N 3.42Å; K168-F236 HydrophobicContact CB-CD1 4.09Å; K168-F236 HydrophobicContact CB-CD2 3.88Å; K168-F236 HydrophobicContact CB-CE1 3.92Å; K168-F236 HydrophobicContact CB-CE2 3.69Å; K168-F236 HydrophobicContact CB-CG 4.07Å; K168-F236 HydrophobicContact CB-CZ 3.72Å; K168-F236 HydrophobicContact CD-CD1 4.43Å; K168-F236 HydrophobicContact CD-CE1 3.89Å; K168-F236 HydrophobicContact CD-CZ 4.19Å; K168-F236 HydrophobicContact CG-CE1 4.48Å
169V93.7Very high91.3Very high2 Ų258 Ų581%0.01236%0.364CS..EExtended strand (participates in β ladder)trans-108.7120.4179.7-1790000109.7V171 K177 V197 Y199 V226 N230 V231V169-V171 HydrophobicContact CG1-CG2 4.08Å; V169-K177 PolarHBondContact N-O 3.22Å; V169-K177 PolarHBondContact O-N 3.42Å; V169-K177 VanDerWaalsContact O-N 3.09Å; V169-V197 HydrophobicContact CG2-CB 4.41Å; V169-V197 HydrophobicContact CG2-CG1 4.16Å; V169-V197 HydrophobicContact CG2-CG2 3.98Å; V169-Y199 HydrophobicContact CB-CE1 4.02Å; V169-Y199 HydrophobicContact CG1-CE1 4.49Å; V169-Y199 HydrophobicContact CG2-CE1 3.83Å; V169-V226 HydrophobicContact CG1-CB 4.29Å; V169-V226 HydrophobicContact CG1-CG1 3.86Å; V169-V226 HydrophobicContact CG1-CG2 4.05Å; V169-V226 HydrophobicContact CG2-CG2 4.38Å; V169-N230 WeakPolarHBondContact CA-O 3.38Å; V169-V231 HydrophobicContact CG2-CG2 4.35Å
170E92.6Very high91.5Very high83 Ų8353 Ų5339%0.38834%0.342SS..  trans-120.1106.7-178.8-69177.4129.100109.3K168 T176 N230K168-E170 HydrophobicContact CD-CG 4.41Å; K168-E170 VanDerWaalsContact CE-CD 3.45Å; K168-E170 WeakPolarHBondContact CE-OE2 3.47Å; K168-E170 HydrophobicContact CG-CG 4.27Å; K168-E170 IonicContact NZ-OE1 2.94Å; K168-E170 PolarHBondContact NZ-OE1 2.7Å; K168-E170 IonicContact NZ-OE2 2.75Å; K168-E170 PolarHBondContact NZ-OE2 3.35Å; E170-T176 HydrophobicContact CG-CG2 4.05Å; E170-N230 PolarHBondContact N-O 3.43Å; E170-N230 WeakPolarHBondContact O-CB 3.4Å
171V90.4Very high91.8Very high38 Ų3849.2 Ų49.223%0.2331%0.311CS..  trans-111.3128.2177.2-179.90000108.3V169 G173 Q174 V226 N230V169-V171 HydrophobicContact CG1-CG2 4.08Å; V171-G173 PolarHBondContact O-N 2.93Å; V171-Q174 HydrophobicContact CB-CB 4.27Å; V171-Q174 HydrophobicContact CB-CG 4.47Å; V171-Q174 HydrophobicContact CG1-CG 4.42Å; V171-Q174 PolarHBondContact O-N 3.19Å; V171-V226 HydrophobicContact CG2-CG1 4.39Å; V171-N230 HydrophobicContact CG2-CB 4.5Å
172P88.3Confident91.9Very high116 Ų11651.7 Ų51.775%0.75332%0.323SS*.THydrogen-bonded Turntrans-52.7124.4177.2-26.934.1000111.9
173G86.9Confident92.1Very high90 Ų9051.4 Ų51.493%0.92831%0.312SS*.THydrogen-bonded Turntrans847.9-179.700000115.7V171V171-G173 PolarHBondContact O-N 2.93Å
174Q86.5Confident92.1Very high91 Ų9149.1 Ų49.143%0.42530%0.299SS..SBendtrans-123.2154.2171.9-62.7-165.5-5.600110.7V171V171-Q174 HydrophobicContact CB-CB 4.27Å; V171-Q174 HydrophobicContact CB-CG 4.47Å; V171-Q174 HydrophobicContact CG1-CG 4.42Å; V171-Q174 PolarHBondContact O-N 3.19Å
175P87.7Confident92.1Very high93 Ų9347.2 Ų47.260%0.60428%0.278SS*.  trans-61.415117027.5-34.8000110.2
176T90.6Very high92.2Very high76 Ų7649.7 Ų49.747%0.46629%0.293SS..  trans-60.8136171.5-57.80000109.5K168 E170K168-T176 HydrophobicContact CD-CG2 3.61Å; K168-T176 HydrophobicContact CG-CG2 3.37Å; E170-T176 HydrophobicContact CG-CG2 4.05Å
177K92.2Very high92.1Very high24 Ų2447.9 Ų47.910%0.10429%0.288CS..EExtended strand (participates in β ladder)trans-124.7134.8-179.2-59.7174.6-174.6178.60109.9V169 Y199 L203V169-K177 PolarHBondContact N-O 3.22Å; V169-K177 PolarHBondContact O-N 3.42Å; V169-K177 VanDerWaalsContact O-N 3.09Å; K177-Y199 HydrophobicContact CB-CD1 3.69Å; K177-Y199 HydrophobicContact CB-CE1 3.5Å; K177-Y199 VanDerWaalsContact CB-CE1 3.5Å; K177-Y199 HydrophobicContact CB-CG 4.45Å; K177-Y199 HydrophobicContact CD-CD1 4.42Å; K177-Y199 HydrophobicContact CD-CD2 4.36Å; K177-Y199 HydrophobicContact CD-CE1 3.98Å; K177-Y199 HydrophobicContact CD-CE2 3.86Å; K177-Y199 HydrophobicContact CG-CE1 4.38Å; K177-L203 HydrophobicContact CD-CB 3.8Å; K177-L203 HydrophobicContact CD-CD1 4.2Å; K177-L203 HydrophobicContact CG-CB 4.37Å; K177-L203 HydrophobicContact CG-CD1 3.9Å; K177-L203 PolarHBondContact NZ-O 3.18Å
178L93.8Very high92Very high31 Ų3154.3 Ų54.316%0.16232%0.318CS..EExtended strand (participates in β ladder)trans-97.3149.3174-58.2-176.8000110.3K168 Y199 D200 F236 E239K168-L178 HydrophobicContact CB-CD2 3.88Å; K168-L178 HydrophobicContact CG-CD2 3.84Å; L178-Y199 WeakPolarHBondContact O-CA 3.43Å; L178-Y199 WeakPolarHBondContact O-CD1 3.36Å; L178-D200 PolarHBondContact O-N 3.06Å; L178-F236 HydrophobicContact CD2-CB 4.02Å; L178-F236 HydrophobicContact CD2-CD1 4.28Å; L178-F236 HydrophobicContact CD2-CG 4.25Å; L178-E239 HydrophobicContact CD1-CG 3.99Å
179G93.4Very high91.8Very high0 Ų053.9 Ų53.90%032%0.316CS..EExtended strand (participates in β ladder)trans-178.1-166.8178.300000113.3C167 K198C167-G179 PolarHBondContact N-O 3.11Å; C167-G179 PolarHBondContact O-N 3.42Å; G179-K198 CarbonylContact C-O 3.52Å; G179-K198 WeakPolarHBondContact CA-O 3.33Å
180T94.8Very high91.6Very high31 Ų3159.9 Ų59.919%0.1934%0.342CS..EExtended strand (participates in β ladder)trans-121.6134-178.9-50.70000109.9R166 M182 V197 K198R166-T180 PolarHBondContact NH1-OG1 3.33Å; R166-T180 VanDerWaalsContact NH1-OG1 3.13Å; T180-M182 HydrophobicContact CG2-SD 4.47Å; T180-M182 PolarHBondContact O-N 3.4Å; T180-V197 WeakPolarHBondContact O-CA 3.48Å; T180-K198 PolarHBondContact N-O 3.43Å; T180-K198 PolarHBondContact O-N 3.08Å
181V95.8Very high91.4Very high0 Ų061 Ų610%036%0.359CS..EExtended strand (participates in β ladder)trans-70.6121.2175.8-179.40000109.5I161 G164 S165 C167 V184 V195 V231 V233I161-V181 HydrophobicContact CG2-CB 4.41Å; I161-V181 HydrophobicContact CG2-CG1 3.89Å; I161-V181 HydrophobicContact CG2-CG2 3.86Å; G164-V181 WeakPolarHBondContact CA-O 3.42Å; G164-V181 PolarHBondContact N-O 2.82Å; S165-V181 PolarHBondContact O-N 3.19Å; C167-V181 HydrophobicContact CB-CG2 3.78Å; C167-V181 VanDerWaalsContact SG-CG2 3.55Å; V181-V184 HydrophobicContact CG1-CG2 3.6Å; V181-V195 HydrophobicContact CG1-CG1 3.73Å; V181-V195 HydrophobicContact CG2-CG1 4.19Å; V181-V231 HydrophobicContact CG2-CG1 4.43Å; V181-V233 HydrophobicContact CG2-CG2 4.49Å
182M94.6Very high91.4Very high67 Ų6760.4 Ų60.433%0.3336%0.36SS..EExtended strand (participates in β ladder)trans-109.8-21.2179.5-63.3-60.9-69.700113T180 G196 K198 F216T180-M182 HydrophobicContact CG2-SD 4.47Å; T180-M182 PolarHBondContact O-N 3.4Å; M182-G196 PolarHBondContact N-O 3.15Å; M182-K198 HydrophobicContact CG-CB 3.58Å; M182-K198 HydrophobicContact SD-CB 4.42Å; M182-F216 HydrophobicContact CB-CB 3.66Å; M182-F216 HydrophobicContact CB-CD1 4.13Å; M182-F216 HydrophobicContact CB-CD2 3.64Å; M182-F216 HydrophobicContact CB-CE2 4.24Å; M182-F216 HydrophobicContact CB-CG 3.56Å; M182-F216 HydrophobicContact CG-CD2 3.93Å; M182-F216 HydrophobicContact CG-CE2 4.39Å; M182-F216 HydrophobicContact CG-CG 4.35Å
183Y94.8Very high91.5Very high59 Ų5957.3 Ų57.323%0.23134%0.335CS..EExtended strand (participates in β ladder)trans-149.9140.4-178.3-176-90.1000110.9T186 T187 V195 G196 Y215 F225Y183-T186 PolarHBondContact OH-O 2.75Å; Y183-T187 HydrophobicContact CE1-CG2 4.3Å; Y183-V195 CarbonylContact O-C 3.6Å; Y183-V195 VanDerWaalsContact O-CA 3.28Å; Y183-V195 WeakPolarHBondContact O-CA 3.49Å; Y183-G196 PolarHBondContact N-O 2.7Å; Y183-G196 VanDerWaalsContact N-O 3.09Å; Y183-G196 PolarHBondContact O-N 2.91Å; Y183-Y215 HydrophobicContact CD1-CD1 4.43Å; Y183-Y215 HydrophobicContact CD2-CD1 4.24Å; Y183-Y215 HydrophobicContact CE1-CD1 4.02Å; Y183-Y215 HydrophobicContact CE1-CE1 4.46Å; Y183-Y215 AromaticContact CE2-CD1 3.85Å; Y183-Y215 HydrophobicContact CE2-CD1 3.85Å; Y183-Y215 AromaticContact CZ-CD1 3.73Å; Y183-F225 AromaticContact CD1-CE1 3.74Å; Y183-F225 HydrophobicContact CD1-CE1 3.74Å; Y183-F225 HydrophobicContact CD1-CZ 4.42Å; Y183-F225 HydrophobicContact CE1-CE1 4.36Å; Y183-F225 HydrophobicContact CG-CE1 4.35Å
184V94.6Very high91.9Very high41 Ų4154.4 Ų54.425%0.24830%0.296CS..EExtended strand (participates in β ladder)trans-138.5119.6170.8-178.10000108A158 I161 V163 V181 V195A158-V184 HydrophobicContact CB-CG1 3.89Å; A158-V184 WeakPolarHBondContact O-CG1 3.26Å; I161-V184 HydrophobicContact CB-CG2 4.29Å; I161-V184 HydrophobicContact CG2-CG2 3.72Å; V163-V184 HydrophobicContact CG2-CB 4.31Å; V163-V184 HydrophobicContact CG2-CG2 3.97Å; V181-V184 HydrophobicContact CG1-CG2 3.6Å; V184-V195 HydrophobicContact CG2-CG1 4.26Å; V184-V195 HydrophobicContact CG2-CG2 4.46Å
185G92.4Very high92.3Very high12 Ų1250.1 Ų50.112%0.12428%0.276CS..EExtended strand (participates in β ladder)trans165.9-170.1-177.400000114.6W194G185-W194 PolarHBondContact N-O 2.9Å; G185-W194 PolarHBondContact O-N 3.42Å
186T92.6Very high92.7Very high86 Ų8645.7 Ų45.753%0.52825%0.247SC..EExtended strand (participates in β ladder)trans-84154172.352.60000110.7Y183Y183-T186 PolarHBondContact OH-O 2.75Å
187T91.8Very high92.9Very high17 Ų1742 Ų4210%0.10423%0.225CC..  trans-125.5160.3-176.660.20000111.5Y183 F189 K190 W194 Y215 F225Y183-T187 HydrophobicContact CE1-CG2 4.3Å; T187-F189 HydrophobicContact CG2-CD1 4.26Å; T187-F189 HydrophobicContact CG2-CE1 3.45Å; T187-F189 VanDerWaalsContact CG2-CE1 3.45Å; T187-F189 HydrophobicContact CG2-CZ 3.74Å; T187-F189 WeakPolarHBondContact OG1-CE1 3.49Å; T187-F189 WeakPolarHBondContact OG1-CZ 3.29Å; T187-K190 VanDerWaalsContact O-O 3.11Å; T187-K190 PolarHBondContact OG1-O 2.82Å; T187-W194 HydrophobicContact CG2-CB 3.76Å; T187-W194 HydrophobicContact CG2-CG 3.92Å; T187-W194 PolarHBondContact OG1-NE1 2.98Å; T187-Y215 HydrophobicContact CG2-CE1 3.95Å; T187-F225 HydrophobicContact CG2-CD1 4.3Å; T187-F225 HydrophobicContact CG2-CE1 4.03Å
188E90.4Very high93.1Very high135 Ų13545 Ų4563%0.63124%0.238SC*.SBendtrans-84.6-30.2179.5-69.6-177.8-173.600111.6K213 Y215E188-K213 HydrophobicContact CG-CD 4.1Å; E188-K213 WeakPolarHBondContact OE1-CD 3.48Å; E188-K213 IonicContact OE1-NZ 3.33Å; E188-K213 PolarHBondContact OE1-NZ 2.96Å; E188-K213 WeakPolarHBondContact OE2-CD 3.42Å; E188-Y215 PolarHBondContact N-OH 2.8Å
189F89.6Confident93.1Very high39 Ų3943.8 Ų43.817%0.17123%0.231CC..SBendtrans-71.1-32-178.663-98.6000112.9T187 W194 V210 Q211 Y215 F225T187-F189 HydrophobicContact CG2-CD1 4.26Å; T187-F189 HydrophobicContact CG2-CE1 3.45Å; T187-F189 VanDerWaalsContact CG2-CE1 3.45Å; T187-F189 HydrophobicContact CG2-CZ 3.74Å; T187-F189 WeakPolarHBondContact OG1-CE1 3.49Å; T187-F189 WeakPolarHBondContact OG1-CZ 3.29Å; F189-W194 HydrophobicContact CE2-CD2 4.18Å; F189-W194 AromaticContact CE2-CE2 3.93Å; F189-W194 HydrophobicContact CE2-CH2 4.42Å; F189-W194 HydrophobicContact CE2-CZ2 4.07Å; F189-W194 HydrophobicContact CZ-CD2 4.1Å; F189-W194 HydrophobicContact CZ-CE3 4.45Å; F189-W194 HydrophobicContact CZ-CG 4.28Å; F189-V210 HydrophobicContact CB-CG1 4.06Å; F189-V210 HydrophobicContact CD1-CB 4.04Å; F189-V210 HydrophobicContact CD1-CG1 3.57Å; F189-V210 HydrophobicContact CE1-CB 4.41Å; F189-V210 HydrophobicContact CE1-CG1 4.18Å; F189-V210 HydrophobicContact CG-CG1 3.88Å; F189-Q211 HydrophobicContact CB-CG 4.41Å; F189-Y215 HydrophobicContact CD1-CE2 4.25Å; F189-Y215 HydrophobicContact CE1-CE2 4.34Å; F189-F225 HydrophobicContact CE1-CD1 4.41Å; F189-F225 AromaticContact CE1-CD2 3.76Å; F189-F225 HydrophobicContact CE1-CD2 3.76Å; F189-F225 AromaticContact CE1-CE2 4Å; F189-F225 HydrophobicContact CE1-CE2 4Å; F189-F225 AromaticContact CE1-CG 3.99Å; F189-F225 HydrophobicContact CE1-CG 3.99Å; F189-F225 HydrophobicContact CE1-CZ 4.4Å; F189-F225 HydrophobicContact CZ-CB 3.85Å; F189-F225 HydrophobicContact CZ-CD1 4.21Å; F189-F225 AromaticContact CZ-CD2 3.88Å; F189-F225 HydrophobicContact CZ-CD2 3.88Å; F189-F225 AromaticContact CZ-CG 3.71Å; F189-F225 HydrophobicContact CZ-CG 3.71Å
190K90.1Very high93Very high129 Ų12945.4 Ų45.456%0.56124%0.24SC*.SBendtrans-150.2146.2178.9-77.5-179.9-175.2-175.10111.9T187 W194T187-K190 VanDerWaalsContact O-O 3.11Å; T187-K190 PolarHBondContact OG1-O 2.82Å; K190-W194 HydrophobicContact CB-CZ2 3.75Å; K190-W194 HydrophobicContact CD-CH2 4.21Å; K190-W194 HydrophobicContact CD-CZ2 3.79Å; K190-W194 HydrophobicContact CG-CZ2 4.39Å; K190-W194 PolarHBondContact O-NE1 2.69Å
191S88.5Confident92.8Very high107 Ų10747.9 Ų47.975%0.74825%0.249SC*.SBendtrans-69161.8174.759.10000113.4W194S191-W194 PolarHBondContact O-NE1 2.96Å
192G89.4Confident92.5Very high24 Ų2451.4 Ų51.425%0.24727%0.273CS..SBendtrans87.6176.8-176.800000113.4
193H91.8Very high92.2Very high51 Ų5151.4 Ų51.424%0.23627%0.273CS..EExtended strand (participates in β ladder)trans-79.8144.6176.9-71-86.1000111.4A158 K227 P228A158-H193 HydrophobicContact CB-CB 4Å; H193-K227 PolarHBondContact O-NZ 3.12Å; H193-P228 HydrophobicContact CB-CG 3.97Å; H193-P228 WeakPolarHBondContact O-CD 3.48Å
194W94.8Very high92Very high30 Ų3049.3 Ų49.311%0.11427%0.27CS..EExtended strand (participates in β ladder)trans-139.1147.4-179-67.891.6000110.3G185 T187 F189 K190 S191 F225 K227G185-W194 PolarHBondContact N-O 2.9Å; G185-W194 PolarHBondContact O-N 3.42Å; T187-W194 HydrophobicContact CG2-CB 3.76Å; T187-W194 HydrophobicContact CG2-CG 3.92Å; T187-W194 PolarHBondContact OG1-NE1 2.98Å; F189-W194 HydrophobicContact CE2-CD2 4.18Å; F189-W194 AromaticContact CE2-CE2 3.93Å; F189-W194 HydrophobicContact CE2-CH2 4.42Å; F189-W194 HydrophobicContact CE2-CZ2 4.07Å; F189-W194 HydrophobicContact CZ-CD2 4.1Å; F189-W194 HydrophobicContact CZ-CE3 4.45Å; F189-W194 HydrophobicContact CZ-CG 4.28Å; K190-W194 HydrophobicContact CB-CZ2 3.75Å; K190-W194 HydrophobicContact CD-CH2 4.21Å; K190-W194 HydrophobicContact CD-CZ2 3.79Å; K190-W194 HydrophobicContact CG-CZ2 4.39Å; K190-W194 PolarHBondContact O-NE1 2.69Å; S191-W194 PolarHBondContact O-NE1 2.96Å; W194-F225 HydrophobicContact CB-CD1 3.91Å; W194-F225 HydrophobicContact CE3-CB 3.89Å; W194-F225 HydrophobicContact CZ3-CB 4.41Å; W194-K227 HydrophobicContact CD2-CD 4.31Å; W194-K227 HydrophobicContact CE3-CD 4.23Å; W194-K227 HydrophobicContact CH2-CD 4.29Å; W194-K227 HydrophobicContact CZ2-CD 4.35Å; W194-K227 HydrophobicContact CZ3-CD 4.23Å; W194-K227 HydrophobicContact CZ3-CG 4.46Å
195V95.4Very high91.8Very high0 Ų055.4 Ų55.40%029%0.293CS..EExtended strand (participates in β ladder)trans-114.2118.8173.5-175.90000107.5I161 V181 Y183 V184 V197 F225 V226 P228 V231I161-V195 HydrophobicContact CD1-CG2 3.83Å; I161-V195 HydrophobicContact CG2-CG1 4.33Å; V181-V195 HydrophobicContact CG1-CG1 3.73Å; V181-V195 HydrophobicContact CG2-CG1 4.19Å; Y183-V195 CarbonylContact O-C 3.6Å; Y183-V195 VanDerWaalsContact O-CA 3.28Å; Y183-V195 WeakPolarHBondContact O-CA 3.49Å; V184-V195 HydrophobicContact CG2-CG1 4.26Å; V184-V195 HydrophobicContact CG2-CG2 4.46Å; V195-V197 HydrophobicContact CG1-CG2 3.91Å; V195-F225 WeakPolarHBondContact O-CA 3.38Å; V195-V226 HydrophobicContact CB-CG2 4.43Å; V195-V226 PolarHBondContact N-O 3.31Å; V195-V226 PolarHBondContact O-N 3.14Å; V195-P228 HydrophobicContact CG2-CB 4.13Å; V195-P228 HydrophobicContact CG2-CG 3.98Å; V195-V231 HydrophobicContact CB-CG2 4.07Å; V195-V231 HydrophobicContact CG1-CG1 4.47Å; V195-V231 HydrophobicContact CG1-CG2 4.16Å; V195-V231 HydrophobicContact CG2-CG2 4.34Å
196G95.6Very high91.9Very high0 Ų056 Ų560%029%0.292CS..EExtended strand (participates in β ladder)trans-84.6120.5169.900000109.2M182 Y183 A224M182-G196 PolarHBondContact N-O 3.15Å; Y183-G196 PolarHBondContact N-O 2.7Å; Y183-G196 VanDerWaalsContact N-O 3.09Å; Y183-G196 PolarHBondContact O-N 2.91Å; G196-A224 WeakPolarHBondContact CA-O 3.29Å
197V95.5Very high91.9Very high0 Ų055.4 Ų55.40%029%0.286CS..EExtended strand (participates in β ladder)trans-116.2134.1179.4-178.80000108.4V169 T180 V195 Y199 G223 A224 V226V169-V197 HydrophobicContact CG2-CB 4.41Å; V169-V197 HydrophobicContact CG2-CG1 4.16Å; V169-V197 HydrophobicContact CG2-CG2 3.98Å; T180-V197 WeakPolarHBondContact O-CA 3.48Å; V195-V197 HydrophobicContact CG1-CG2 3.91Å; V197-Y199 HydrophobicContact CB-CE1 4.34Å; V197-Y199 HydrophobicContact CG1-CD1 3.89Å; V197-Y199 HydrophobicContact CG1-CE1 3.87Å; V197-G223 WeakPolarHBondContact O-CA 3.47Å; V197-A224 PolarHBondContact N-O 3.49Å; V197-A224 PolarHBondContact O-N 2.78Å; V197-V226 HydrophobicContact CG2-CG2 4.12Å
198K95.4Very high91.8Very high86 Ų8654.6 Ų54.637%0.37428%0.281SS..EExtended strand (participates in β ladder)trans-92.1110.1163.1174-174.1172.3-1670106.8G179 T180 M182 C218G179-K198 CarbonylContact C-O 3.52Å; G179-K198 WeakPolarHBondContact CA-O 3.33Å; T180-K198 PolarHBondContact N-O 3.43Å; T180-K198 PolarHBondContact O-N 3.08Å; M182-K198 HydrophobicContact CG-CB 3.58Å; M182-K198 HydrophobicContact SD-CB 4.42Å; K198-C218 HydrophobicContact CB-CB 4.36Å; K198-C218 HydrophobicContact CD-CB 4.07Å; K198-C218 HydrophobicContact CG-CB 3.89Å
199Y94.6Very high92Very high6 Ų650.4 Ų50.42%0.02427%0.265CS..EExtended strand (participates in β ladder)trans-69.4159.7173.4-63.4-52.2000111V169 K177 L178 V197 E201 L203 Y222 A224V169-Y199 HydrophobicContact CB-CE1 4.02Å; V169-Y199 HydrophobicContact CG1-CE1 4.49Å; V169-Y199 HydrophobicContact CG2-CE1 3.83Å; K177-Y199 HydrophobicContact CB-CD1 3.69Å; K177-Y199 HydrophobicContact CB-CE1 3.5Å; K177-Y199 VanDerWaalsContact CB-CE1 3.5Å; K177-Y199 HydrophobicContact CB-CG 4.45Å; K177-Y199 HydrophobicContact CD-CD1 4.42Å; K177-Y199 HydrophobicContact CD-CD2 4.36Å; K177-Y199 HydrophobicContact CD-CE1 3.98Å; K177-Y199 HydrophobicContact CD-CE2 3.86Å; K177-Y199 HydrophobicContact CG-CE1 4.38Å; L178-Y199 WeakPolarHBondContact O-CA 3.43Å; L178-Y199 WeakPolarHBondContact O-CD1 3.36Å; V197-Y199 HydrophobicContact CB-CE1 4.34Å; V197-Y199 HydrophobicContact CG1-CD1 3.89Å; V197-Y199 HydrophobicContact CG1-CE1 3.87Å; Y199-E201 VanDerWaalsContact CB-O 3.31Å; Y199-E201 WeakPolarHBondContact CB-O 3.36Å; Y199-L203 HydrophobicContact CD2-CB 4.49Å; Y199-Y222 WeakPolarHBondContact CD2-O 3.35Å; Y199-Y222 PolarHBondContact N-O 2.91Å; Y199-Y222 WeakPolarHBondContact O-CD1 3.2Å; Y199-A224 HydrophobicContact CD2-CB 4.25Å; Y199-A224 HydrophobicContact CE2-CB 3.36Å
200D91.7Very high92.1Very high34 Ų3450 Ų5018%0.18227%0.265CS..SBendtrans-81.7-26.4173.2-53.5-35.1000111.1R166 L178 Y222 E238R166-D200 IonicContact CZ-OD1 3.91Å; R166-D200 IonicContact CZ-OD2 3.77Å; R166-D200 IonicContact NH1-OD1 3.9Å; R166-D200 PolarHBondContact NH1-OD1 3.47Å; R166-D200 IonicContact NH1-OD2 3.69Å; R166-D200 PolarHBondContact NH1-OD2 2.96Å; R166-D200 IonicContact NH2-OD1 2.92Å; R166-D200 IonicContact NH2-OD2 3.2Å; R166-D200 PolarHBondContact NH2-OD2 2.72Å; L178-D200 PolarHBondContact O-N 3.06Å; D200-Y222 VanDerWaalsContact O-CE1 3.27Å; D200-Y222 WeakPolarHBondContact O-CE1 3.46Å; D200-E238 HydrophobicContact CB-CG 4.12Å
201E88.9Confident92Very high82 Ų8251.5 Ų51.538%0.38327%0.274SS..SBendtrans-108.2159.8177.1-63.2-177.4135.300111.5Y199 L203Y199-E201 VanDerWaalsContact CB-O 3.31Å; Y199-E201 WeakPolarHBondContact CB-O 3.36Å; E201-L203 HydrophobicContact CB-CD1 4.12Å; E201-L203 HydrophobicContact CB-CG 3.94Å; E201-L203 PolarHBondContact O-N 3.36Å; E201-L203 WeakPolarHBondContact OE2-CD1 3.43Å
202P90.6Very high92Very high75 Ų7550 Ų5049%0.48728%0.276SS..SBendtrans-73.648.217932-37.5000113.5K221 Y222P202-K221 CarbonylContact C-O 3.43Å; P202-K221 VanDerWaalsContact CA-O 3.32Å; P202-K221 WeakPolarHBondContact CA-O 3.41Å; P202-K221 HydrophobicContact CB-CB 4.35Å; P202-Y222 HydrophobicContact CB-CD2 4.3Å; P202-Y222 HydrophobicContact CB-CE2 3.74Å
203L88.7Confident92.1Very high66 Ų6652.8 Ų52.835%0.34628%0.281SS..  trans-101.88.3-178.7-61.9-178.7000113.6K177 Y199 E201 K221K177-L203 HydrophobicContact CD-CB 3.8Å; K177-L203 HydrophobicContact CD-CD1 4.2Å; K177-L203 HydrophobicContact CG-CB 4.37Å; K177-L203 HydrophobicContact CG-CD1 3.9Å; K177-L203 PolarHBondContact NZ-O 3.18Å; Y199-L203 HydrophobicContact CD2-CB 4.49Å; E201-L203 HydrophobicContact CB-CD1 4.12Å; E201-L203 HydrophobicContact CB-CG 3.94Å; E201-L203 PolarHBondContact O-N 3.36Å; E201-L203 WeakPolarHBondContact OE2-CD1 3.43Å; L203-K221 PolarHBondContact N-O 3.48Å
204G90.4Very high92.2Very high15 Ų1556.3 Ų56.316%0.15530%0.298CS..SBendtrans-84.6-173.9174.800000113K221G204-K221 CarbonylContact C-O 3.38Å; G204-K221 WeakPolarHBondContact CA-O 3.15Å; G204-K221 PolarHBondContact N-O 3.19Å
205K90.6Very high92.2Very high169 Ų16956.2 Ų56.274%0.73530%0.297SS*.SBendtrans-120.9-22.2-174.5-64.4-175.5179.6-179.80113.6G223K205-G223 PolarHBondContact N-O 3.03Å
206H93.1Very high92.1Very high25 Ų2556.8 Ų56.812%0.11630%0.3CS..BIsolated β-bridgetrans-150.3168.6-172.85465.9000111.3G208 F216 G223 A224 F225H206-G208 VanDerWaalsContact C-N 3.27Å; H206-G208 WeakPolarHBondContact ND1-CA 3.04Å; H206-G208 PolarHBondContact ND1-N 3.12Å; H206-G208 PolarHBondContact O-N 2.98Å; H206-F216 AromaticContact CE1-CZ 3.7Å; H206-G223 PolarHBondContact CE1-O 3.26Å; H206-G223 PolarHBondContact N-O 2.84Å; H206-G223 PolarHBondContact ND1-O 2.83Å; H206-G223 CarbonylContact O-C 3.59Å; H206-G223 WeakPolarHBondContact O-CA 3.5Å; H206-G223 PolarHBondContact O-N 3.26Å; H206-A224 PolarHBondContact CE1-N 3.27Å; H206-A224 WeakPolarHBondContact NE2-CA 3.47Å; H206-F225 AromaticContact CE1-CD2 3.68Å; H206-F225 AromaticContact CE1-CE2 3.8Å; H206-F225 AromaticContact NE2-CD2 3.21Å; H206-F225 WeakPolarHBondContact NE2-CD2 3.19Å; H206-F225 AromaticContact NE2-CE2 3.76Å; H206-F225 PolarHBondContact NE2-N 3.37Å
207N93.1Very high92Very high73 Ų7364 Ų6439%0.3933%0.334SS..SBendtrans-85.79.2173.667.1-13000114.1T209 C218N207-T209 PolarHBondContact OD1-N 3.33Å; N207-C218 WeakPolarHBondContact CB-O 3.35Å; N207-C218 PolarHBondContact O-N 3.49Å; N207-C218 VanDerWaalsContact O-N 3.1Å; N207-C218 PolarHBondContact O-SG 3.32Å
208G89.8Confident91.8Very high0 Ų065 Ų650%034%0.34CS..SBendtrans101.7-3.2179.500000113.7H206 Y215 F216H206-G208 VanDerWaalsContact C-N 3.27Å; H206-G208 WeakPolarHBondContact ND1-CA 3.04Å; H206-G208 PolarHBondContact ND1-N 3.12Å; H206-G208 PolarHBondContact O-N 2.98Å; G208-Y215 PolarHBondContact O-N 2.85Å; G208-F216 CarbonylContact C-O 3.56Å; G208-F216 VanDerWaalsContact CA-O 3.26Å; G208-F216 WeakPolarHBondContact CA-O 3.44Å; G208-F216 PolarHBondContact O-N 2.78Å
209T93.6Very high91.7Very high48 Ų4866.8 Ų66.829%0.29435%0.35SS..EExtended strand (participates in β ladder)trans-99.5130.8166.1-58.90000110.3N207 K213N207-T209 PolarHBondContact OD1-N 3.33Å; T209-K213 WeakPolarHBondContact CA-O 3.21Å
210V92.2Very high91.5Very high29 Ų2971.5 Ų71.518%0.17638%0.376CS..EExtended strand (participates in β ladder)trans-130.6125.9176.1-179.10000108.6F189 G212 K213 Y215 F225F189-V210 HydrophobicContact CB-CG1 4.06Å; F189-V210 HydrophobicContact CD1-CB 4.04Å; F189-V210 HydrophobicContact CD1-CG1 3.57Å; F189-V210 HydrophobicContact CE1-CB 4.41Å; F189-V210 HydrophobicContact CE1-CG1 4.18Å; F189-V210 HydrophobicContact CG-CG1 3.88Å; V210-G212 PolarHBondContact O-N 2.89Å; V210-K213 PolarHBondContact N-O 3.45Å; V210-K213 PolarHBondContact O-N 3.5Å; V210-K213 VanDerWaalsContact O-N 3.15Å; V210-Y215 HydrophobicContact CB-CD2 4.47Å; V210-Y215 HydrophobicContact CB-CE2 4.15Å; V210-F225 HydrophobicContact CG2-CD2 3.85Å; V210-F225 HydrophobicContact CG2-CE2 3.72Å
211Q88.4Confident91.6Very high161 Ų16175.8 Ų75.875%0.75239%0.393SS*.THydrogen-bonded Turntrans52.937.5-179.8-64-179.7-1000114.2F189 K213F189-Q211 HydrophobicContact CB-CG 4.41Å; Q211-K213 VanDerWaalsContact C-N 3.32Å; Q211-K213 PolarHBondContact O-N 3.36Å
212G89.3Confident91.8Very high76 Ų7674.2 Ų74.278%0.78438%0.384SS*.THydrogen-bonded Turntrans84.5-4.1177.300000115.3V210V210-G212 PolarHBondContact O-N 2.89Å
213K91.6Very high92Very high83 Ų8370.7 Ų70.736%0.36136%0.361SS..EExtended strand (participates in β ladder)trans-103.2125.7172.1-175167.8-176.9174.70111.3E188 T209 V210 Q211 Y215E188-K213 HydrophobicContact CG-CD 4.1Å; E188-K213 WeakPolarHBondContact OE1-CD 3.48Å; E188-K213 IonicContact OE1-NZ 3.33Å; E188-K213 PolarHBondContact OE1-NZ 2.96Å; E188-K213 WeakPolarHBondContact OE2-CD 3.42Å; T209-K213 WeakPolarHBondContact CA-O 3.21Å; V210-K213 PolarHBondContact N-O 3.45Å; V210-K213 PolarHBondContact O-N 3.5Å; V210-K213 VanDerWaalsContact O-N 3.15Å; Q211-K213 VanDerWaalsContact C-N 3.32Å; Q211-K213 PolarHBondContact O-N 3.36Å; K213-Y215 HydrophobicContact CB-CE2 4.16Å; K213-Y215 HydrophobicContact CD-CE1 4.36Å; K213-Y215 HydrophobicContact CG-CE2 4.21Å; K213-Y215 WeakPolarHBondContact O-CD2 3.15Å
214Q93.4Very high92.3Very high125 Ų12567.8 Ų67.858%0.58435%0.346SS*.EExtended strand (participates in β ladder)trans-84.2123.4174.5-173.1175.5-10.200109.8
215Y93.9Very high92.5Very high27 Ų2768.3 Ų68.311%0.10634%0.344CS..  trans-102.7-41.1177.6-69.1-88.9000112Y183 T187 E188 F189 G208 V210 K213 F225Y183-Y215 HydrophobicContact CD1-CD1 4.43Å; Y183-Y215 HydrophobicContact CD2-CD1 4.24Å; Y183-Y215 HydrophobicContact CE1-CD1 4.02Å; Y183-Y215 HydrophobicContact CE1-CE1 4.46Å; Y183-Y215 AromaticContact CE2-CD1 3.85Å; Y183-Y215 HydrophobicContact CE2-CD1 3.85Å; Y183-Y215 AromaticContact CZ-CD1 3.73Å; T187-Y215 HydrophobicContact CG2-CE1 3.95Å; E188-Y215 PolarHBondContact N-OH 2.8Å; F189-Y215 HydrophobicContact CD1-CE2 4.25Å; F189-Y215 HydrophobicContact CE1-CE2 4.34Å; G208-Y215 PolarHBondContact O-N 2.85Å; V210-Y215 HydrophobicContact CB-CD2 4.47Å; V210-Y215 HydrophobicContact CB-CE2 4.15Å; K213-Y215 HydrophobicContact CB-CE2 4.16Å; K213-Y215 HydrophobicContact CD-CE1 4.36Å; K213-Y215 HydrophobicContact CG-CE2 4.21Å; K213-Y215 WeakPolarHBondContact O-CD2 3.15Å; Y215-F225 AromaticContact CD1-CZ 3.96Å; Y215-F225 HydrophobicContact CD1-CZ 3.96Å; Y215-F225 AromaticContact CD2-CE2 3.83Å; Y215-F225 HydrophobicContact CD2-CE2 3.83Å; Y215-F225 AromaticContact CD2-CZ 3.68Å; Y215-F225 HydrophobicContact CD2-CZ 3.68Å; Y215-F225 HydrophobicContact CE2-CE2 4.39Å; Y215-F225 HydrophobicContact CE2-CZ 4.34Å; Y215-F225 HydrophobicContact CG-CE1 4.45Å; Y215-F225 HydrophobicContact CG-CE2 4.1Å; Y215-F225 AromaticContact CG-CZ 3.47Å; Y215-F225 HydrophobicContact CG-CZ 3.47Å; Y215-F225 VanDerWaalsContact CG-CZ 3.47Å
216F93.9Very high92.7Very high13 Ų1360.9 Ų60.96%0.05731%0.313CS..SBendtrans-152.5171.2175.158.9-86.6000109.4M182 H206 G208 C218 F225M182-F216 HydrophobicContact CB-CB 3.66Å; M182-F216 HydrophobicContact CB-CD1 4.13Å; M182-F216 HydrophobicContact CB-CD2 3.64Å; M182-F216 HydrophobicContact CB-CE2 4.24Å; M182-F216 HydrophobicContact CB-CG 3.56Å; M182-F216 HydrophobicContact CG-CD2 3.93Å; M182-F216 HydrophobicContact CG-CE2 4.39Å; M182-F216 HydrophobicContact CG-CG 4.35Å; H206-F216 AromaticContact CE1-CZ 3.7Å; G208-F216 CarbonylContact C-O 3.56Å; G208-F216 VanDerWaalsContact CA-O 3.26Å; G208-F216 WeakPolarHBondContact CA-O 3.44Å; G208-F216 PolarHBondContact O-N 2.78Å; F216-C218 HydrophobicContact CD2-CB 4.38Å; F216-C218 HydrophobicContact CE2-CB 4.3Å; F216-C218 VanDerWaalsContact CE2-SG 3.56Å; F216-F225 HydrophobicContact CD1-CZ 4.28Å; F216-F225 HydrophobicContact CE1-CE1 4.34Å; F216-F225 HydrophobicContact CE1-CE2 4.04Å; F216-F225 AromaticContact CE1-CZ 3.82Å; F216-F225 HydrophobicContact CE1-CZ 3.82Å
217E93.6Very high92.7Very high152 Ų15262.2 Ų62.271%0.7132%0.319SS*.  trans-109.8128.1-179.7-172176.317200110.7
218C91.8Very high92.7Very high20 Ų2058.8 Ų58.814%0.13530%0.3CS..  trans-157.2170.3172.262.20000111.3K198 N207 F216 G223K198-C218 HydrophobicContact CB-CB 4.36Å; K198-C218 HydrophobicContact CD-CB 4.07Å; K198-C218 HydrophobicContact CG-CB 3.89Å; N207-C218 WeakPolarHBondContact CB-O 3.35Å; N207-C218 PolarHBondContact O-N 3.49Å; N207-C218 VanDerWaalsContact O-N 3.1Å; N207-C218 PolarHBondContact O-SG 3.32Å; F216-C218 HydrophobicContact CD2-CB 4.38Å; F216-C218 HydrophobicContact CE2-CB 4.3Å; F216-C218 VanDerWaalsContact CE2-SG 3.56Å; C218-G223 WeakPolarHBondContact SG-CA 3.4Å; C218-G223 PolarHBondContact SG-N 3.15Å; C218-G223 VanDerWaalsContact SG-N 3.35Å
219Q91.9Very high92.8Very high123 Ų12363 Ų6358%0.57532%0.322SS*.  trans-64.5154.6173.9-69.6178.4300111.2K221 Y222Q219-K221 PolarHBondContact O-N 2.88Å; Q219-Y222 HydrophobicContact CB-CD2 3.42Å; Q219-Y222 VanDerWaalsContact CB-CD2 3.42Å; Q219-Y222 HydrophobicContact CB-CE2 3.82Å; Q219-Y222 HydrophobicContact CB-CG 3.97Å; Q219-Y222 WeakPolarHBondContact O-CB 3.48Å; Q219-Y222 PolarHBondContact O-N 3.18Å; Q219-Y222 VanDerWaalsContact OE1-CE2 3.27Å
220D91.9Very high92.7Very high105 Ų10562.9 Ų62.956%0.56132%0.32SS*.THydrogen-bonded Turntrans-61.1136.8176.8-173.539.7000110.8Y222D220-Y222 VanDerWaalsContact C-N 3.29Å; D220-Y222 VanDerWaalsContact O-CD2 3.28Å; D220-Y222 WeakPolarHBondContact O-CD2 3.33Å; D220-Y222 PolarHBondContact O-N 3.28Å
221K92.7Very high92.8Very high124 Ų12462.1 Ų62.154%0.53932%0.316SS..THydrogen-bonded Turntrans66.514.7-171.2-48.5175.3-177.3173.50116.2P202 L203 G204 Q219P202-K221 CarbonylContact C-O 3.43Å; P202-K221 VanDerWaalsContact CA-O 3.32Å; P202-K221 WeakPolarHBondContact CA-O 3.41Å; P202-K221 HydrophobicContact CB-CB 4.35Å; L203-K221 PolarHBondContact N-O 3.48Å; G204-K221 CarbonylContact C-O 3.38Å; G204-K221 WeakPolarHBondContact CA-O 3.15Å; G204-K221 PolarHBondContact N-O 3.19Å; Q219-K221 PolarHBondContact O-N 2.88Å
222Y93.8Very high93Very high50 Ų5057.6 Ų57.620%0.19630%0.299CS..THydrogen-bonded Turntrans-102.5-26.9173.8-74.7-109.6000113Y199 D200 P202 Q219 D220Y199-Y222 WeakPolarHBondContact CD2-O 3.35Å; Y199-Y222 PolarHBondContact N-O 2.91Å; Y199-Y222 WeakPolarHBondContact O-CD1 3.2Å; D200-Y222 VanDerWaalsContact O-CE1 3.27Å; D200-Y222 WeakPolarHBondContact O-CE1 3.46Å; P202-Y222 HydrophobicContact CB-CD2 4.3Å; P202-Y222 HydrophobicContact CB-CE2 3.74Å; Q219-Y222 HydrophobicContact CB-CD2 3.42Å; Q219-Y222 VanDerWaalsContact CB-CD2 3.42Å; Q219-Y222 HydrophobicContact CB-CE2 3.82Å; Q219-Y222 HydrophobicContact CB-CG 3.97Å; Q219-Y222 WeakPolarHBondContact O-CB 3.48Å; Q219-Y222 PolarHBondContact O-N 3.18Å; Q219-Y222 VanDerWaalsContact OE1-CE2 3.27Å; D220-Y222 VanDerWaalsContact C-N 3.29Å; D220-Y222 VanDerWaalsContact O-CD2 3.28Å; D220-Y222 WeakPolarHBondContact O-CD2 3.33Å; D220-Y222 PolarHBondContact O-N 3.28Å
223G94.4Very high93Very high0 Ų056.5 Ų56.50%028%0.277CS..EExtended strand (participates in β ladder)trans-86138.8-179.400000112.8V197 K205 H206 C218V197-G223 WeakPolarHBondContact O-CA 3.47Å; K205-G223 PolarHBondContact N-O 3.03Å; H206-G223 PolarHBondContact CE1-O 3.26Å; H206-G223 PolarHBondContact N-O 2.84Å; H206-G223 PolarHBondContact ND1-O 2.83Å; H206-G223 CarbonylContact O-C 3.59Å; H206-G223 WeakPolarHBondContact O-CA 3.5Å; H206-G223 PolarHBondContact O-N 3.26Å; C218-G223 WeakPolarHBondContact SG-CA 3.4Å; C218-G223 PolarHBondContact SG-N 3.15Å; C218-G223 VanDerWaalsContact SG-N 3.35Å
224A94.7Very high92.9Very high6 Ų654 Ų545%0.0528%0.275CS..EExtended strand (participates in β ladder)trans-143.5150.7167.400000112.4G196 V197 Y199 H206G196-A224 WeakPolarHBondContact CA-O 3.29Å; V197-A224 PolarHBondContact N-O 3.49Å; V197-A224 PolarHBondContact O-N 2.78Å; Y199-A224 HydrophobicContact CD2-CB 4.25Å; Y199-A224 HydrophobicContact CE2-CB 3.36Å; H206-A224 PolarHBondContact CE1-N 3.27Å; H206-A224 WeakPolarHBondContact NE2-CA 3.47Å
225F94.8Very high92.5Very high25 Ų2555.3 Ų55.311%0.1129%0.286CS..EExtended strand (participates in β ladder)trans-100.2126.8167.2-80-76.2000111.3Y183 T187 F189 W194 V195 H206 V210 Y215 F216Y183-F225 AromaticContact CD1-CE1 3.74Å; Y183-F225 HydrophobicContact CD1-CE1 3.74Å; Y183-F225 HydrophobicContact CD1-CZ 4.42Å; Y183-F225 HydrophobicContact CE1-CE1 4.36Å; Y183-F225 HydrophobicContact CG-CE1 4.35Å; T187-F225 HydrophobicContact CG2-CD1 4.3Å; T187-F225 HydrophobicContact CG2-CE1 4.03Å; F189-F225 HydrophobicContact CE1-CD1 4.41Å; F189-F225 AromaticContact CE1-CD2 3.76Å; F189-F225 HydrophobicContact CE1-CD2 3.76Å; F189-F225 AromaticContact CE1-CE2 4Å; F189-F225 HydrophobicContact CE1-CE2 4Å; F189-F225 AromaticContact CE1-CG 3.99Å; F189-F225 HydrophobicContact CE1-CG 3.99Å; F189-F225 HydrophobicContact CE1-CZ 4.4Å; F189-F225 HydrophobicContact CZ-CB 3.85Å; F189-F225 HydrophobicContact CZ-CD1 4.21Å; F189-F225 AromaticContact CZ-CD2 3.88Å; F189-F225 HydrophobicContact CZ-CD2 3.88Å; F189-F225 AromaticContact CZ-CG 3.71Å; F189-F225 HydrophobicContact CZ-CG 3.71Å; W194-F225 HydrophobicContact CB-CD1 3.91Å; W194-F225 HydrophobicContact CE3-CB 3.89Å; W194-F225 HydrophobicContact CZ3-CB 4.41Å; V195-F225 WeakPolarHBondContact O-CA 3.38Å; H206-F225 AromaticContact CE1-CD2 3.68Å; H206-F225 AromaticContact CE1-CE2 3.8Å; H206-F225 AromaticContact NE2-CD2 3.21Å; H206-F225 WeakPolarHBondContact NE2-CD2 3.19Å; H206-F225 AromaticContact NE2-CE2 3.76Å; H206-F225 PolarHBondContact NE2-N 3.37Å; V210-F225 HydrophobicContact CG2-CD2 3.85Å; V210-F225 HydrophobicContact CG2-CE2 3.72Å; Y215-F225 AromaticContact CD1-CZ 3.96Å; Y215-F225 HydrophobicContact CD1-CZ 3.96Å; Y215-F225 AromaticContact CD2-CE2 3.83Å; Y215-F225 HydrophobicContact CD2-CE2 3.83Å; Y215-F225 AromaticContact CD2-CZ 3.68Å; Y215-F225 HydrophobicContact CD2-CZ 3.68Å; Y215-F225 HydrophobicContact CE2-CE2 4.39Å; Y215-F225 HydrophobicContact CE2-CZ 4.34Å; Y215-F225 HydrophobicContact CG-CE1 4.45Å; Y215-F225 HydrophobicContact CG-CE2 4.1Å; Y215-F225 AromaticContact CG-CZ 3.47Å; Y215-F225 HydrophobicContact CG-CZ 3.47Å; Y215-F225 VanDerWaalsContact CG-CZ 3.47Å; F216-F225 HydrophobicContact CD1-CZ 4.28Å; F216-F225 HydrophobicContact CE1-CE1 4.34Å; F216-F225 HydrophobicContact CE1-CE2 4.04Å; F216-F225 AromaticContact CE1-CZ 3.82Å; F216-F225 HydrophobicContact CE1-CZ 3.82Å
226V94.2Very high92.2Very high14 Ų1456.4 Ų56.49%0.08529%0.291CS..EExtended strand (participates in β ladder)trans-129.9163.1177.7-670000111.3V169 V171 V195 V197 V231V169-V226 HydrophobicContact CG1-CB 4.29Å; V169-V226 HydrophobicContact CG1-CG1 3.86Å; V169-V226 HydrophobicContact CG1-CG2 4.05Å; V169-V226 HydrophobicContact CG2-CG2 4.38Å; V171-V226 HydrophobicContact CG2-CG1 4.39Å; V195-V226 HydrophobicContact CB-CG2 4.43Å; V195-V226 PolarHBondContact N-O 3.31Å; V195-V226 PolarHBondContact O-N 3.14Å; V197-V226 HydrophobicContact CG2-CG2 4.12Å; V226-V231 HydrophobicContact CG2-CG2 3.37Å
227K93.8Very high91.6Very high52 Ų5260 Ų6023%0.22632%0.316CS..  trans-74.9142.9176.2-71.6-58.2-167.3170.40110.2Q154 H193 W194 L229 N230Q154-K227 VanDerWaalsContact OE1-NZ 3.1Å; H193-K227 PolarHBondContact O-NZ 3.12Å; W194-K227 HydrophobicContact CD2-CD 4.31Å; W194-K227 HydrophobicContact CE3-CD 4.23Å; W194-K227 HydrophobicContact CH2-CD 4.29Å; W194-K227 HydrophobicContact CZ2-CD 4.35Å; W194-K227 HydrophobicContact CZ3-CD 4.23Å; W194-K227 HydrophobicContact CZ3-CG 4.46Å; K227-L229 PolarHBondContact O-N 3.31Å; K227-L229 VanDerWaalsContact O-N 3.12Å; K227-N230 WeakPolarHBondContact O-CB 3.19Å; K227-N230 PolarHBondContact O-N 3.01Å
228P93.1Very high90.9Very high1 Ų159 Ų591%0.00631%0.312CS..G310 helixtrans-51.2-37.8-180-27.432.3000113.8A157 A158 I161 H193 V195 N230 V231A157-P228 HydrophobicContact CB-CB 3.79Å; A158-P228 HydrophobicContact CB-CB 4.22Å; A158-P228 HydrophobicContact CB-CG 3.86Å; I161-P228 HydrophobicContact CD1-CB 4.17Å; H193-P228 HydrophobicContact CB-CG 3.97Å; H193-P228 WeakPolarHBondContact O-CD 3.48Å; V195-P228 HydrophobicContact CG2-CB 4.13Å; V195-P228 HydrophobicContact CG2-CG 3.98Å; P228-N230 PolarHBondContact O-N 3.2Å; P228-N230 VanDerWaalsContact O-N 3.13Å; P228-V231 PolarHBondContact O-N 3.36Å; P228-V231 VanDerWaalsContact O-N 3.08Å
229L91.8Very high90.2Very high88 Ų8863.6 Ų63.646%0.46133%0.331SS..G310 helixtrans-63.9-16.8179.2-63.4173.2000114.7Q154 A157 K227Q154-L229 HydrophobicContact CG-CD1 4.02Å; Q154-L229 HydrophobicContact CG-CG 4.23Å; A157-L229 HydrophobicContact CB-CD2 4Å; K227-L229 PolarHBondContact O-N 3.31Å; K227-L229 VanDerWaalsContact O-N 3.12Å
230N92.6Very high89.1Confident47 Ų4764.4 Ų64.425%0.25134%0.339SS..G310 helixtrans-98.35.4179.3-65.82000112.1V169 E170 V171 K227 P228V169-N230 WeakPolarHBondContact CA-O 3.38Å; E170-N230 PolarHBondContact N-O 3.43Å; E170-N230 WeakPolarHBondContact O-CB 3.4Å; V171-N230 HydrophobicContact CG2-CB 4.5Å; K227-N230 WeakPolarHBondContact O-CB 3.19Å; K227-N230 PolarHBondContact O-N 3.01Å; P228-N230 PolarHBondContact O-N 3.2Å; P228-N230 VanDerWaalsContact O-N 3.13Å
231V92.9Very high87.8Confident13 Ų1366 Ų668%0.07934%0.338CS..EExtended strand (participates in β ladder)trans-116.5122.2-176.4-175.90000108.9I161 C167 V169 V181 V195 V226 P228 V233I161-V231 HydrophobicContact CD1-CB 3.93Å; I161-V231 HydrophobicContact CD1-CG1 4.15Å; C167-V231 HydrophobicContact CB-CG1 3.68Å; V169-V231 HydrophobicContact CG2-CG2 4.35Å; V181-V231 HydrophobicContact CG2-CG1 4.43Å; V195-V231 HydrophobicContact CB-CG2 4.07Å; V195-V231 HydrophobicContact CG1-CG1 4.47Å; V195-V231 HydrophobicContact CG1-CG2 4.16Å; V195-V231 HydrophobicContact CG2-CG2 4.34Å; V226-V231 HydrophobicContact CG2-CG2 3.37Å; P228-V231 PolarHBondContact O-N 3.36Å; P228-V231 VanDerWaalsContact O-N 3.08Å; V231-V233 HydrophobicContact CG1-CG2 4.48Å
232T92.2Very high86.3Confident65 Ų6562.3 Ų62.340%0.39934%0.335SS..EExtended strand (participates in β ladder)trans-108.8117.7170.8-58.20000108.4C167 K168 F236C167-T232 CarbonylContact C-O 3.48Å; C167-T232 VanDerWaalsContact CA-O 3.26Å; C167-T232 WeakPolarHBondContact CA-O 3.43Å; K168-T232 PolarHBondContact N-O 3.33Å; K168-T232 PolarHBondContact O-N 3.42Å; T232-F236 HydrophobicContact CG2-CE2 4.26Å; T232-F236 HydrophobicContact CG2-CZ 4.23Å; T232-F236 WeakPolarHBondContact O-CE2 3.26Å
233V91.1Very high84.7Confident54 Ų5466.1 Ų66.133%0.32736%0.358SS..EExtended strand (participates in β ladder)trans-85.7136.5174.9178.30000108.9I161 S165 R166 C167 V181 V231I161-V233 HydrophobicContact CB-CG2 4.19Å; I161-V233 HydrophobicContact CG1-CG2 3.91Å; I161-V233 HydrophobicContact CG2-CG2 3.77Å; S165-V233 VanDerWaalsContact CB-CG1 3.41Å; R166-V233 WeakPolarHBondContact O-CA 3.42Å; C167-V233 HydrophobicContact CB-CG2 4.38Å; V181-V233 HydrophobicContact CG2-CG2 4.49Å; V231-V233 HydrophobicContact CG1-CG2 4.48Å
234G88.4Confident83.1Confident31 Ų3173.9 Ų73.932%0.3240%0.4SS..SBendtrans178-172.9-177.600000112.4R166 F236R166-G234 WeakPolarHBondContact CB-O 3.28Å; R166-G234 PolarHBondContact O-N 2.78Å; R166-G234 VanDerWaalsContact O-N 3.1Å; R166-G234 VanDerWaalsContact O-O 3.13Å; G234-F236 PolarHBondContact O-N 2.98Å; G234-F236 VanDerWaalsContact O-N 3.12Å
235D85.8Confident81Confident152 Ų15282.5 Ų82.581%0.81344%0.439SS*.  trans-81.788.1174.7-167.514.3000109.9P237D235-P237 WeakPolarHBondContact O-CD 3.31Å
236F86.3Confident78.5Confident49 Ų4991.5 Ų91.522%0.21549%0.486CS..  trans-116.686.7177.8-61.4-71000108.7R166 K168 L178 T232 G234R166-F236 PolarHBondContact NE-O 3.29Å; R166-F236 PolarHBondContact NH2-O 3.05Å; K168-F236 HydrophobicContact CB-CD1 4.09Å; K168-F236 HydrophobicContact CB-CD2 3.88Å; K168-F236 HydrophobicContact CB-CE1 3.92Å; K168-F236 HydrophobicContact CB-CE2 3.69Å; K168-F236 HydrophobicContact CB-CG 4.07Å; K168-F236 HydrophobicContact CB-CZ 3.72Å; K168-F236 HydrophobicContact CD-CD1 4.43Å; K168-F236 HydrophobicContact CD-CE1 3.89Å; K168-F236 HydrophobicContact CD-CZ 4.19Å; K168-F236 HydrophobicContact CG-CE1 4.48Å; L178-F236 HydrophobicContact CD2-CB 4.02Å; L178-F236 HydrophobicContact CD2-CD1 4.28Å; L178-F236 HydrophobicContact CD2-CG 4.25Å; T232-F236 HydrophobicContact CG2-CE2 4.26Å; T232-F236 HydrophobicContact CG2-CZ 4.23Å; T232-F236 WeakPolarHBondContact O-CE2 3.26Å; G234-F236 PolarHBondContact O-N 2.98Å; G234-F236 VanDerWaalsContact O-N 3.12Å
237P82.3Confident77.8Confident89 Ų8995.4 Ų95.458%0.57851%0.506SS*.  trans-60.5156.9176.926.4-34000110.7D235D235-P237 WeakPolarHBondContact O-CD 3.31Å
238E79.2Confident76.9Confident132 Ų13297.6 Ų97.662%0.61752%0.521SS*.  trans-63.7135.1172.4-173.2169.7-171.800109.2D200 D240D200-E238 HydrophobicContact CB-CG 4.12Å; E238-D240 PolarHBondContact O-N 2.93Å
239E75.6Confident76Confident116 Ų116103 Ų10354%0.54255%0.549SS..  trans-78.8101.9175.1-72.5179.9167.100108.3L178 Y241L178-E239 HydrophobicContact CD1-CG 3.99Å; E239-Y241 HydrophobicContact CB-CD2 4.44Å; E239-Y241 HydrophobicContact CB-CE2 3.81Å; E239-Y241 WeakPolarHBondContact O-CD2 3.32Å; E239-Y241 PolarHBondContact O-N 3.32Å; E239-Y241 PolarHBondContact OE2-OH 3.42Å
240D69.3Low75.1Confident140 Ų140103.9 Ų103.975%0.74956%0.555SS**  trans-78.4109.5171.8-176.95.7000109.5E238 G242E238-D240 PolarHBondContact O-N 2.93Å; D240-G242 VanDerWaalsContact C-N 3.28Å; D240-G242 PolarHBondContact OD1-N 3.14Å
241Y64.9Low74Confident139 Ų139107.4 Ų107.455%0.54557%0.573SS.*  trans-84.13.5179-70.2-77.4000113.5E239 L243E239-Y241 HydrophobicContact CB-CD2 4.44Å; E239-Y241 HydrophobicContact CB-CE2 3.81Å; E239-Y241 WeakPolarHBondContact O-CD2 3.32Å; E239-Y241 PolarHBondContact O-N 3.32Å; E239-Y241 PolarHBondContact OE2-OH 3.42Å; Y241-L243 PolarHBondContact O-N 2.92Å
242G60.8Low72.7Confident46 Ų46113.7 Ų113.747%0.47461%0.606SS.*  trans61.827.8173.900000114D240 D244D240-G242 VanDerWaalsContact C-N 3.28Å; D240-G242 PolarHBondContact OD1-N 3.14Å; G242-D244 PolarHBondContact O-N 3.31Å
243L61Low71.4Confident129 Ų129117.2 Ų117.268%0.67562%0.621SS**G310 helixtrans-78.4-0.5-176.6-68.5173.1000113.7Y241 E245Y241-L243 PolarHBondContact O-N 2.92Å; L243-E245 VanDerWaalsContact C-N 3.25Å; L243-E245 PolarHBondContact O-N 3.26Å
244D60.2Low69.8Low164 Ų164122.1 Ų122.188%0.87764%0.644SS**G310 helixtrans-79.5-0.6177.5-69.1-17.3000113.6G242G242-D244 PolarHBondContact O-N 3.31Å
245E51.2Low68.3Low186 Ų186129.7 Ų129.787%0.86967%0.671SS**G310 helixtrans-108.319.8-178.7-75.4-166.3165.400115.8L243L243-E245 VanDerWaalsContact C-N 3.25Å; L243-E245 PolarHBondContact O-N 3.26Å
246I42.9Very low66.7Low214 Ų214127.6 Ų127.6100%1.09766%0.658SS**  trans-111.60175.3-67.2176.6000112.9

Retrieved 246 of 246 residues in 880.2 ms (Link to these results)

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