Q6MG98_RAT Loading...

Histocompatibility 2, class II antigen E alpha

AlphaFold DB , UniProt , Accession Q6MG98, Species RAT (Rattus norvegicus, Rat), Gene RT1-Da, Length 255 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
1M53.4Low74.5Confident240 Ų240115.3 Ų115.3100%1.18261%0.608SS**  0106.60-94.8169.4170.700107T3M1-T3 PolarHBondContact O-N 3.29Å
2A60Low75Confident65 Ų65117.5 Ų117.554%0.53761%0.609SS.*  trans-62.6132.9167.600000107.5D6A2-D6 HydrophobicContact CB-CB 4.25Å
3T71.6Confident75.5Confident84 Ų84118.8 Ų118.852%0.51561%0.608SS.*  trans-68.7156.3179.364.50000109.2M1 G5 D6 L7M1-T3 PolarHBondContact O-N 3.29Å; T3-G5 PolarHBondContact O-N 3.36Å; T3-G5 VanDerWaalsContact O-N 3.09Å; T3-D6 PolarHBondContact N-OD2 3.23Å; T3-D6 PolarHBondContact O-N 3.47Å; T3-D6 VanDerWaalsContact OG1-CG 3.26Å; T3-D6 PolarHBondContact OG1-N 3.46Å; T3-D6 PolarHBondContact OG1-OD2 2.89Å; T3-L7 PolarHBondContact O-N 2.99Å
4L76Confident75.8Confident146 Ų146118.6 Ų118.676%0.76461%0.605SS**Hα-helixtrans-52.8-32.6174.3-174.364.8000111.3L7 V8L4-L7 PolarHBondContact O-N 3.48Å; L4-V8 VanDerWaalsContact O-CG2 3.31Å; L4-V8 WeakPolarHBondContact O-CG2 3.28Å; L4-V8 PolarHBondContact O-N 2.82Å
5G77Confident76Confident38 Ų38113.9 Ų113.939%0.39259%0.591SS.*Hα-helixtrans-63.9-43.3174.500000114T3 L7 V8 I9T3-G5 PolarHBondContact O-N 3.36Å; T3-G5 VanDerWaalsContact O-N 3.09Å; G5-L7 VanDerWaalsContact C-N 3.28Å; G5-L7 PolarHBondContact O-N 3.31Å; G5-V8 PolarHBondContact O-N 3.21Å; G5-I9 WeakPolarHBondContact O-CG1 3.33Å; G5-I9 PolarHBondContact O-N 2.95Å
6D78.4Confident76.2Confident72 Ų72112.5 Ų112.539%0.38559%0.589SS.*Hα-helixtrans-62.6-37.3177.6-61.8-46.6000111.9A2 T3 R10A2-D6 HydrophobicContact CB-CB 4.25Å; T3-D6 PolarHBondContact N-OD2 3.23Å; T3-D6 PolarHBondContact O-N 3.47Å; T3-D6 VanDerWaalsContact OG1-CG 3.26Å; T3-D6 PolarHBondContact OG1-N 3.46Å; T3-D6 PolarHBondContact OG1-OD2 2.89Å; D6-R10 WeakPolarHBondContact O-CB 3.39Å; D6-R10 VanDerWaalsContact O-CG 3.32Å; D6-R10 WeakPolarHBondContact O-CG 3.33Å; D6-R10 PolarHBondContact O-N 2.89Å; D6-R10 VanDerWaalsContact O-N 3.08Å
7L77.8Confident76.1Confident114 Ų114113.2 Ų113.260%0.59759%0.592SS**Hα-helixtrans-68.6-41.5179.3-13398.3000111.5T3 L4 G5 F11T3-L7 PolarHBondContact O-N 2.99Å; L4-L7 PolarHBondContact O-N 3.48Å; G5-L7 VanDerWaalsContact C-N 3.28Å; G5-L7 PolarHBondContact O-N 3.31Å; L7-F11 WeakPolarHBondContact O-CB 3.37Å; L7-F11 PolarHBondContact O-N 3.49Å
8V81Confident75.9Confident73 Ų73114.9 Ų114.944%0.44260%0.599SS.*Hα-helixtrans-65.8-45.1178173.40000110.9L4 G5 R10 F11 F12L4-V8 VanDerWaalsContact O-CG2 3.31Å; L4-V8 WeakPolarHBondContact O-CG2 3.28Å; L4-V8 PolarHBondContact O-N 2.82Å; G5-V8 PolarHBondContact O-N 3.21Å; V8-R10 PolarHBondContact O-N 3.34Å; V8-F11 PolarHBondContact O-N 3.48Å; V8-F12 HydrophobicContact CG1-CD2 3.92Å; V8-F12 HydrophobicContact CG1-CE2 4.13Å; V8-F12 PolarHBondContact O-N 3.4Å
9I81.9Confident75.4Confident95 Ų95111.8 Ų111.849%0.48759%0.588SS.*Hα-helixtrans-60.9-47.1178-68.3168.2000110.3G5 F11 F12 F13G5-I9 WeakPolarHBondContact O-CG1 3.33Å; G5-I9 PolarHBondContact O-N 2.95Å; I9-F11 VanDerWaalsContact C-N 3.31Å; I9-F11 PolarHBondContact O-N 3.44Å; I9-F12 PolarHBondContact O-N 3.28Å; I9-F13 HydrophobicContact CG2-CD2 3.66Å; I9-F13 HydrophobicContact CG2-CE2 3.69Å; I9-F13 WeakPolarHBondContact O-CD2 3.47Å; I9-F13 PolarHBondContact O-N 3.45Å
10R81.5Confident74.6Confident185 Ų185111.8 Ų111.870%0.69860%0.595SS**Hα-helixtrans-60.8-40.2177-75.9178.8-179.8-161.1-0.4112.5D6 V8 F13 M14D6-R10 WeakPolarHBondContact O-CB 3.39Å; D6-R10 VanDerWaalsContact O-CG 3.32Å; D6-R10 WeakPolarHBondContact O-CG 3.33Å; D6-R10 PolarHBondContact O-N 2.89Å; D6-R10 VanDerWaalsContact O-N 3.08Å; V8-R10 PolarHBondContact O-N 3.34Å; R10-F13 PolarHBondContact O-N 3.17Å; R10-M14 WeakPolarHBondContact O-CB 3.38Å; R10-M14 WeakPolarHBondContact O-CG 3.42Å; R10-M14 PolarHBondContact O-N 2.99Å
11F80.9Confident73.9Confident156 Ų156113.9 Ų113.968%0.68460%0.601SS**Hα-helixtrans-65.6-41.1177.2-164.8-90.3000111.7L7 V8 I9 M14 A15L7-F11 WeakPolarHBondContact O-CB 3.37Å; L7-F11 PolarHBondContact O-N 3.49Å; V8-F11 PolarHBondContact O-N 3.48Å; I9-F11 VanDerWaalsContact C-N 3.31Å; I9-F11 PolarHBondContact O-N 3.44Å; F11-M14 PolarHBondContact O-N 3.26Å; F11-A15 VanDerWaalsContact O-CB 3.26Å; F11-A15 WeakPolarHBondContact O-CB 3.09Å; F11-A15 PolarHBondContact O-N 2.94Å
12F80.8Confident74.1Confident142 Ų142110.6 Ų110.662%0.62358%0.58SS**Hα-helixtrans-62.8-46.3174.2-98.7-83.5000112.4V8 I9 M14 A15 V16V8-F12 HydrophobicContact CG1-CD2 3.92Å; V8-F12 HydrophobicContact CG1-CE2 4.13Å; V8-F12 PolarHBondContact O-N 3.4Å; I9-F12 PolarHBondContact O-N 3.28Å; F12-M14 PolarHBondContact O-N 3.44Å; F12-A15 PolarHBondContact O-N 3.48Å; F12-V16 WeakPolarHBondContact O-CG2 3.11Å; F12-V16 PolarHBondContact O-N 2.91Å
13F81.7Confident74Confident135 Ų135112.3 Ų112.359%0.59259%0.588SS**Hα-helixtrans-61.6-44.3176.6-88.4-78000111.9I9 R10 V16 L17I9-F13 HydrophobicContact CG2-CD2 3.66Å; I9-F13 HydrophobicContact CG2-CE2 3.69Å; I9-F13 WeakPolarHBondContact O-CD2 3.47Å; I9-F13 PolarHBondContact O-N 3.45Å; R10-F13 PolarHBondContact O-N 3.17Å; F13-V16 PolarHBondContact O-N 2.84Å; F13-L17 WeakPolarHBondContact O-CB 3.38Å; F13-L17 VanDerWaalsContact O-CG 3.28Å; F13-L17 WeakPolarHBondContact O-CG 3.49Å; F13-L17 PolarHBondContact O-N 3.47Å
14M78.8Confident73.3Confident115 Ų115119.3 Ų119.357%0.56761%0.605SS**Hα-helixtrans-61.7-43.1173.8-79.9-91.4-79.800111.6R10 F11 F12 V16 L17 M18R10-M14 WeakPolarHBondContact O-CB 3.38Å; R10-M14 WeakPolarHBondContact O-CG 3.42Å; R10-M14 PolarHBondContact O-N 2.99Å; F11-M14 PolarHBondContact O-N 3.26Å; F12-M14 PolarHBondContact O-N 3.44Å; M14-V16 PolarHBondContact O-N 3.37Å; M14-L17 PolarHBondContact O-N 3.39Å; M14-M18 HydrophobicContact CE-SD 4.28Å; M14-M18 WeakPolarHBondContact O-CA 3.32Å; M14-M18 WeakPolarHBondContact O-CB 3.33Å; M14-M18 WeakPolarHBondContact O-CG 3.3Å; M14-M18 PolarHBondContact O-N 3.49Å
15A78.6Confident72.8Confident49 Ų49116.5 Ų116.541%0.40560%0.603SS.*Hα-helixtrans-65.9-34.317800000112.9F11 F12 S19F11-A15 VanDerWaalsContact O-CB 3.26Å; F11-A15 WeakPolarHBondContact O-CB 3.09Å; F11-A15 PolarHBondContact O-N 2.94Å; F12-A15 PolarHBondContact O-N 3.48Å; A15-S19 WeakPolarHBondContact O-CA 3.4Å; A15-S19 VanDerWaalsContact O-CB 3.26Å; A15-S19 WeakPolarHBondContact O-CB 3.4Å; A15-S19 PolarHBondContact O-N 2.92Å
16V79.5Confident72.5Confident91 Ų91120.8 Ų120.855%0.55262%0.616SS**Hα-helixtrans-71.9-42.5174.3172.10000110.8F12 F13 M14 S19F12-V16 WeakPolarHBondContact O-CG2 3.11Å; F12-V16 PolarHBondContact O-N 2.91Å; F13-V16 PolarHBondContact O-N 2.84Å; M14-V16 PolarHBondContact O-N 3.37Å; V16-S19 PolarHBondContact O-OG 3.03Å
17L74.9Confident72.3Confident124 Ų124128.2 Ų128.265%0.64964%0.638SS**Hα-helixtrans-70.3-33.7177.7-71.7167000113.1F13 M14F13-L17 WeakPolarHBondContact O-CB 3.38Å; F13-L17 VanDerWaalsContact O-CG 3.28Å; F13-L17 WeakPolarHBondContact O-CG 3.49Å; F13-L17 PolarHBondContact O-N 3.47Å; M14-L17 PolarHBondContact O-N 3.39Å
18M72.9Confident72.3Confident145 Ų145128.7 Ų128.771%0.71464%0.638SS**Hα-helixtrans-94.3-8.9178-62.6-169106.600113.2M14M14-M18 HydrophobicContact CE-SD 4.28Å; M14-M18 WeakPolarHBondContact O-CA 3.32Å; M14-M18 WeakPolarHBondContact O-CB 3.33Å; M14-M18 WeakPolarHBondContact O-CG 3.3Å; M14-M18 PolarHBondContact O-N 3.49Å
19S66.7Low72.6Confident56 Ų56133.5 Ų133.539%0.39266%0.655SS.*SBendtrans-55.4129.7160.574.80000104.4A15 V16 Q21A15-S19 WeakPolarHBondContact O-CA 3.4Å; A15-S19 VanDerWaalsContact O-CB 3.26Å; A15-S19 WeakPolarHBondContact O-CB 3.4Å; A15-S19 PolarHBondContact O-N 2.92Å; V16-S19 PolarHBondContact O-OG 3.03Å; S19-Q21 PolarHBondContact O-N 3.08Å
20P57.7Low73Confident111 Ų111134.1 Ų134.172%0.72166%0.656SS**  trans-55.4104.5170.421.6-28.8000104.1K22P20-K22 PolarHBondContact O-N 3.33Å
21Q60.9Low73.6Confident156 Ų156128.8 Ų128.873%0.72964%0.644SS**  trans-56.888.2152.1-70.9-174.4-44.400100.4S19 S23S19-Q21 PolarHBondContact O-N 3.08Å; Q21-S23 PolarHBondContact O-N 3.02Å
22K57Low74.2Confident171 Ų171126.8 Ų126.874%0.74364%0.639SS**  trans-49.698.1149.7-74.7-177.6177-176.9099.6P20 W24P20-K22 PolarHBondContact O-N 3.33Å; K22-W24 PolarHBondContact O-N 3.31Å
23S58.5Low74.8Confident100 Ų100123.3 Ų123.370%0.69963%0.626SS**  trans-43.9110.7151.943.40000100.5Q21 A25Q21-S23 PolarHBondContact O-N 3.02Å; S23-A25 PolarHBondContact O-N 2.85Å
24W57.4Low75.4Confident232 Ų232121.3 Ų121.388%0.87962%0.619SS**  trans-61.490.6165.8-76.570.4000100.5K22 I26K22-W24 PolarHBondContact O-N 3.31Å; W24-I26 PolarHBondContact O-N 3.24Å
25A64.1Low76.2Confident87 Ų87116.8 Ų116.872%0.71960%0.6SS**  trans-63.188.5163.900000100.7S23 R27S23-A25 PolarHBondContact O-N 2.85Å; A25-R27 VanDerWaalsContact C-N 3.28Å; A25-R27 PolarHBondContact O-N 2.97Å
26I71.4Confident77.1Confident127 Ų127117.5 Ų117.565%0.65160%0.595SS**  trans-56.3110.6169-60.3174.6000101.5W24 E28W24-I26 PolarHBondContact O-N 3.24Å; I26-E28 HydrophobicContact CB-CG 4.45Å; I26-E28 HydrophobicContact CG2-CG 3.68Å; I26-E28 PolarHBondContact O-N 3.28Å
27R73.9Confident77.8Confident229 Ų229114.8 Ų114.886%0.86458%0.576SS**  trans-76.490.4175.9-166-179.2-145.2-167.62.9104.4A25A25-R27 VanDerWaalsContact C-N 3.28Å; A25-R27 PolarHBondContact O-N 2.97Å
28E78.3Confident78.8Confident124 Ų124110.6 Ų110.658%0.57955%0.551SS**  trans-79.6130.2168.6-64.6-165.4176.300107.7I26 H30I26-E28 HydrophobicContact CB-CG 4.45Å; I26-E28 HydrophobicContact CG2-CG 3.68Å; I26-E28 PolarHBondContact O-N 3.28Å; E28-H30 IonicContact OE2-CE1 3.69Å
29E87.4Confident79.8Confident173 Ų173105 Ų10581%0.80852%0.524SS*.  trans-86.6111.8171.1-69.1-173.517100106.8
30H91.2Very high80.9Confident109 Ų109105.1 Ų105.151%0.50553%0.525SS..  trans-91.5139.8175.8-62.5-67.7000110.1E28 F51 D52E28-H30 IonicContact OE2-CE1 3.69Å; H30-F51 HydrophobicContact CB-CE2 3.86Å; H30-F51 HydrophobicContact CB-CZ 3.67Å; H30-F51 AromaticContact CG-CZ 3.74Å; H30-F51 AromaticContact ND1-CZ 3.71Å; H30-D52 VanDerWaalsContact CA-OD1 3.26Å; H30-D52 WeakPolarHBondContact CA-OD1 3.31Å; H30-D52 IonicContact CE1-OD2 3.14Å; H30-D52 IonicContact CG-OD2 2.92Å; H30-D52 IonicContact ND1-OD2 3.47Å; H30-D52 PolarHBondContact ND1-OD2 3.04Å
31T92.2Very high82.3Confident72 Ų72104.5 Ų104.544%0.44252%0.521SS..  trans-124.3137-176.955.30000110.3F51 D52T31-F51 CarbonylContact O-C 3.6Å; T31-F51 WeakPolarHBondContact O-CA 2.88Å; T31-D52 PolarHBondContact N-OD1 2.84Å; T31-D52 PolarHBondContact O-N 2.73Å; T31-D52 PolarHBondContact OG1-OD1 3.02Å
32I93.4Very high83.2Confident114 Ų114100.9 Ų100.959%0.58551%0.507SS*.EExtended strand (participates in β ladder)trans-111.8120.2167.9-68.2166.7000106F49 D50 F51I32-F49 HydrophobicContact CG2-CD1 3.77Å; I32-F49 HydrophobicContact CG2-CE1 4.23Å; I32-D50 WeakPolarHBondContact CA-O 2.86Å; I32-F51 HydrophobicContact CD1-CD2 4.39Å; I32-F51 HydrophobicContact CG1-CD2 3.67Å; I32-F51 HydrophobicContact CG1-CE2 4.29Å
33I93.6Very high84.4Confident70 Ų7098.9 Ų98.936%0.35950%0.5SS..EExtended strand (participates in β ladder)trans-108127.6178.2-55.1173.3000108.6F49 D50 P164I33-F49 CarbonylContact O-C 3.55Å; I33-F49 VanDerWaalsContact O-CA 3.28Å; I33-F49 WeakPolarHBondContact O-CA 3.29Å; I33-D50 WeakPolarHBondContact CB-OD1 3Å; I33-D50 WeakPolarHBondContact CG1-OD1 3.4Å; I33-D50 PolarHBondContact N-O 2.85Å; I33-D50 PolarHBondContact N-OD1 2.84Å; I33-D50 PolarHBondContact O-N 2.69Å; I33-P164 HydrophobicContact CG2-CG 4.47Å
34Q95.7Very high85.7Confident92 Ų9298.1 Ų98.143%0.4349%0.488SS..EExtended strand (participates in β ladder)trans-92.9126.4160.2-177.4-171.5-57.200107.4E36 F47 M48 F49Q34-E36 PolarHBondContact NE2-OE2 2.9Å; Q34-F47 HydrophobicContact CG-CE2 4Å; Q34-F47 HydrophobicContact CG-CZ 3.83Å; Q34-M48 WeakPolarHBondContact CA-O 3.1Å; Q34-F49 HydrophobicContact CB-CD1 4.22Å; Q34-F49 HydrophobicContact CB-CE1 3.79Å; Q34-F49 HydrophobicContact CB-CE2 4.18Å; Q34-F49 HydrophobicContact CB-CZ 3.77Å; Q34-F49 HydrophobicContact CG-CD2 4.27Å; Q34-F49 HydrophobicContact CG-CE1 4.28Å; Q34-F49 HydrophobicContact CG-CE2 3.75Å; Q34-F49 HydrophobicContact CG-CZ 3.74Å; Q34-F49 VanDerWaalsContact OE1-CZ 3.27Å
35A95.9Very high87.5Confident21 Ų2188 Ų8817%0.17446%0.457CS..EExtended strand (participates in β ladder)trans-126.3135.4175.400000110.6F47 M48 P164A35-F47 WeakPolarHBondContact O-CA 3.44Å; A35-M48 HydrophobicContact CB-CG 4.06Å; A35-M48 PolarHBondContact N-O 3.42Å; A35-M48 PolarHBondContact O-N 2.72Å; A35-P164 HydrophobicContact CB-CB 4.28Å; A35-P164 HydrophobicContact CB-CG 3.75Å
36E95.9Very high89Confident64 Ų6485.3 Ų85.330%0.29943%0.429SS..EExtended strand (participates in β ladder)trans-143.1144.8176.262.9-166.2-161.700109.9Q34 E46 F47 N87 I88 D91Q34-E36 PolarHBondContact NE2-OE2 2.9Å; E36-E46 WeakPolarHBondContact CA-O 3.37Å; E36-F47 HydrophobicContact CB-CD2 3.86Å; E36-F47 WeakPolarHBondContact OE2-CD2 3.12Å; E36-F47 WeakPolarHBondContact OE2-CE2 3.29Å; E36-N87 VanDerWaalsContact OE2-CB 3.29Å; E36-N87 WeakPolarHBondContact OE2-CB 3.35Å; E36-N87 PolarHBondContact OE2-ND2 3.38Å; E36-I88 HydrophobicContact CB-CD1 4.39Å; E36-D91 WeakPolarHBondContact CG-OD2 3.23Å
37F95.1Very high90.3Very high33 Ų3379.3 Ų79.315%0.14540%0.398CS..EExtended strand (participates in β ladder)trans-151.7158.9172.263-96.6000110.8L39 G45 E46 P140 F162 F170F37-L39 HydrophobicContact CD2-CD1 4.39Å; F37-L39 HydrophobicContact CD2-CG 4.04Å; F37-L39 HydrophobicContact CE2-CD1 4.14Å; F37-L39 HydrophobicContact CE2-CG 4.28Å; F37-G45 CarbonylContact O-C 3.55Å; F37-G45 WeakPolarHBondContact O-CA 3.43Å; F37-E46 HydrophobicContact CD1-CB 4.27Å; F37-E46 HydrophobicContact CE1-CB 3.62Å; F37-E46 HydrophobicContact CE1-CG 4.34Å; F37-E46 HydrophobicContact CE2-CB 4.04Å; F37-E46 HydrophobicContact CZ-CB 3.48Å; F37-E46 VanDerWaalsContact CZ-CB 3.48Å; F37-E46 HydrophobicContact CZ-CG 4.37Å; F37-E46 PolarHBondContact N-O 3.21Å; F37-E46 VanDerWaalsContact N-O 3.09Å; F37-E46 PolarHBondContact O-N 2.9Å; F37-P140 HydrophobicContact CD1-CG 4.16Å; F37-P140 HydrophobicContact CD2-CG 3.68Å; F37-P140 HydrophobicContact CE1-CB 4.11Å; F37-P140 HydrophobicContact CE1-CG 3.97Å; F37-P140 HydrophobicContact CE2-CB 3.99Å; F37-P140 HydrophobicContact CE2-CG 3.47Å; F37-P140 VanDerWaalsContact CE2-CG 3.47Å; F37-P140 HydrophobicContact CG-CG 4.02Å; F37-P140 HydrophobicContact CZ-CB 3.7Å; F37-P140 HydrophobicContact CZ-CG 3.62Å; F37-F162 HydrophobicContact CE1-CB 3.94Å; F37-F162 HydrophobicContact CZ-CB 3.97Å; F37-F162 AromaticContact CZ-CD2 3.79Å; F37-F162 HydrophobicContact CZ-CD2 3.79Å; F37-F162 HydrophobicContact CZ-CG 4.08Å; F37-F170 AromaticContact CD1-CE1 3.85Å; F37-F170 HydrophobicContact CD1-CE1 3.85Å; F37-F170 HydrophobicContact CD1-CZ 4.27Å; F37-F170 AromaticContact CE1-CE1 3.94Å; F37-F170 HydrophobicContact CE1-CE1 3.94Å
38Y95.6Very high91.4Very high36 Ų3668.5 Ų68.514%0.14136%0.357CS..EExtended strand (participates in β ladder)trans-135.3132.6172.9-166.5-91.5000109.9I88 K92 L95Y38-I88 HydrophobicContact CD2-CG2 3.75Å; Y38-I88 HydrophobicContact CE2-CG2 4.08Å; Y38-K92 HydrophobicContact CD1-CB 3.97Å; Y38-K92 HydrophobicContact CD1-CG 4.23Å; Y38-K92 HydrophobicContact CD2-CB 4.36Å; Y38-K92 HydrophobicContact CE1-CB 3.87Å; Y38-K92 HydrophobicContact CE1-CD 4.13Å; Y38-K92 HydrophobicContact CE1-CG 3.68Å; Y38-K92 HydrophobicContact CE2-CB 4.22Å; Y38-K92 HydrophobicContact CE2-CD 4.41Å; Y38-K92 HydrophobicContact CG-CB 4.21Å; Y38-K92 WeakPolarHBondContact OH-CD 3.43Å; Y38-L95 HydrophobicContact CD1-CD2 3.83Å; Y38-L95 WeakPolarHBondContact O-CD2 3.33Å
39L93.8Very high92.3Very high28 Ų2864.4 Ų64.415%0.14734%0.338CS..  trans-113.7147.5-176.8-67.7176.7000112.2F37 Q43 N44 P139 P140 A141F37-L39 HydrophobicContact CD2-CD1 4.39Å; F37-L39 HydrophobicContact CD2-CG 4.04Å; F37-L39 HydrophobicContact CE2-CD1 4.14Å; F37-L39 HydrophobicContact CE2-CG 4.28Å; L39-Q43 WeakPolarHBondContact O-CA 3.39Å; L39-Q43 PolarHBondContact O-N 2.88Å; L39-Q43 VanDerWaalsContact O-N 3.13Å; L39-N44 PolarHBondContact N-O 3.14Å; L39-P139 HydrophobicContact CD2-CB 4.06Å; L39-P140 HydrophobicContact CD1-CG 4Å; L39-P140 WeakPolarHBondContact CD1-O 3.45Å; L39-P140 HydrophobicContact CD2-CG 4.49Å; L39-P140 HydrophobicContact CG-CG 4.49Å; L39-A141 HydrophobicContact CD1-CB 4.3Å
40S91Very high92.7Very high58 Ų5856.2 Ų56.241%0.40630%0.3SS..THydrogen-bonded Turntrans-127.8141.2171.3-175.40000108.1
41P85.4Confident92.8Very high99 Ų9955.2 Ų55.264%0.64329%0.294SS*.THydrogen-bonded Turncis-87.7-610.335.7-36.6000115.5Q43P41-Q43 WeakPolarHBondContact O-CG 3.35Å; P41-Q43 PolarHBondContact O-N 2.73Å
42D81.1Confident92.7Very high80 Ų8054.9 Ų54.943%0.42829%0.289SS..THydrogen-bonded Turntrans-65.4-12.8-173.4-70.9-3.5000114.1N44 W193D42-N44 HydrophobicContact CB-CB 4.5Å; D42-N44 PolarHBondContact O-N 3.07Å; D42-N44 VanDerWaalsContact O-N 3.13Å; D42-N44 PolarHBondContact O-OD1 3.45Å; D42-W193 WeakPolarHBondContact OD2-CZ2 3.44Å
43Q82.7Confident92.6Very high129 Ų12950 Ų5060%0.60327%0.267SS*.  trans52.832.7-179.1-59.6-168.4-41.900112.7L39 P41L39-Q43 WeakPolarHBondContact O-CA 3.39Å; L39-Q43 PolarHBondContact O-N 2.88Å; L39-Q43 VanDerWaalsContact O-N 3.13Å; P41-Q43 WeakPolarHBondContact O-CG 3.35Å; P41-Q43 PolarHBondContact O-N 2.73Å
44N85.7Confident92.6Very high83 Ų8352.6 Ų52.644%0.44428%0.282SS..  trans-100.7134.9177.1-73.5-22.6000108.9L39 D42L39-N44 PolarHBondContact N-O 3.14Å; D42-N44 HydrophobicContact CB-CB 4.5Å; D42-N44 PolarHBondContact O-N 3.07Å; D42-N44 VanDerWaalsContact O-N 3.13Å; D42-N44 PolarHBondContact O-OD1 3.45Å
45G93.3Very high92.6Very high21 Ų2149 Ų4922%0.21627%0.265CS..EExtended strand (participates in β ladder)trans-132156.5169.400000109.9F37F37-G45 CarbonylContact O-C 3.55Å; F37-G45 WeakPolarHBondContact O-CA 3.43Å
46E96.5Very high92.7Very high29 Ų2949.8 Ų49.814%0.13627%0.266CS..EExtended strand (participates in β ladder)trans-134.4145.4179.8-167.1170.388.900108.8E36 F37 V161 F162E36-E46 WeakPolarHBondContact CA-O 3.37Å; F37-E46 HydrophobicContact CD1-CB 4.27Å; F37-E46 HydrophobicContact CE1-CB 3.62Å; F37-E46 HydrophobicContact CE1-CG 4.34Å; F37-E46 HydrophobicContact CE2-CB 4.04Å; F37-E46 HydrophobicContact CZ-CB 3.48Å; F37-E46 VanDerWaalsContact CZ-CB 3.48Å; F37-E46 HydrophobicContact CZ-CG 4.37Å; F37-E46 PolarHBondContact N-O 3.21Å; F37-E46 VanDerWaalsContact N-O 3.09Å; F37-E46 PolarHBondContact O-N 2.9Å; E46-V161 HydrophobicContact CG-CB 4.49Å; E46-V161 WeakPolarHBondContact OE1-CB 2.9Å; E46-V161 WeakPolarHBondContact OE2-CB 3.32Å; E46-F162 WeakPolarHBondContact OE1-CA 3.48Å; E46-F162 WeakPolarHBondContact OE1-CB 3.31Å; E46-F162 PolarHBondContact OE1-N 2.98Å; E46-F162 VanDerWaalsContact OE1-O 3.14Å; E46-F162 WeakPolarHBondContact OE2-CD2 3.46Å; E46-F162 PolarHBondContact OE2-N 3.29Å
47F98Very high92.8Very high2 Ų247.3 Ų47.31%0.00925%0.254CS..EExtended strand (participates in β ladder)trans-137.8129.8175.3179.4-77.9000108Q34 A35 E36 F49 F57 H58 V59 F79 A84 I88Q34-F47 HydrophobicContact CG-CE2 4Å; Q34-F47 HydrophobicContact CG-CZ 3.83Å; A35-F47 WeakPolarHBondContact O-CA 3.44Å; E36-F47 HydrophobicContact CB-CD2 3.86Å; E36-F47 WeakPolarHBondContact OE2-CD2 3.12Å; E36-F47 WeakPolarHBondContact OE2-CE2 3.29Å; F47-F49 AromaticContact CE1-CD2 3.75Å; F47-F49 HydrophobicContact CE1-CD2 3.75Å; F47-F49 AromaticContact CE1-CE2 3.56Å; F47-F49 HydrophobicContact CE1-CE2 3.56Å; F47-F49 HydrophobicContact CZ-CD2 4.22Å; F47-F49 AromaticContact CZ-CE2 3.59Å; F47-F49 HydrophobicContact CZ-CE2 3.59Å; F47-F57 HydrophobicContact CE1-CE2 4.37Å; F47-H58 CarbonylContact O-C 3.59Å; F47-H58 VanDerWaalsContact O-CA 3.29Å; F47-H58 WeakPolarHBondContact O-CA 3.29Å; F47-H58 WeakPolarHBondContact O-CB 3.32Å; F47-V59 HydrophobicContact CD1-CG2 3.96Å; F47-V59 PolarHBondContact O-N 2.79Å; F47-F79 HydrophobicContact CD1-CE1 4.45Å; F47-F79 AromaticContact CE1-CE1 3.79Å; F47-F79 HydrophobicContact CE1-CE1 3.79Å; F47-F79 HydrophobicContact CE1-CE2 4.36Å; F47-F79 AromaticContact CE1-CZ 3.52Å; F47-F79 HydrophobicContact CE1-CZ 3.52Å; F47-F79 HydrophobicContact CZ-CE1 4.4Å; F47-F79 AromaticContact CZ-CZ 3.74Å; F47-F79 HydrophobicContact CZ-CZ 3.74Å; F47-A84 HydrophobicContact CB-CB 3.92Å; F47-A84 HydrophobicContact CD1-CB 3.46Å; F47-A84 VanDerWaalsContact CD1-CB 3.46Å; F47-A84 HydrophobicContact CD2-CB 3.64Å; F47-A84 HydrophobicContact CE1-CB 3.8Å; F47-A84 HydrophobicContact CE2-CB 3.96Å; F47-A84 HydrophobicContact CG-CB 3.38Å; F47-A84 HydrophobicContact CZ-CB 4.04Å; F47-I88 HydrophobicContact CB-CD1 4.46Å; F47-I88 HydrophobicContact CB-CG1 4.48Å
48M97.7Very high92.9Very high1 Ų147.8 Ų47.81%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-150.4162.6-177.671148.6-62.600113.4Q34 A35 D50 E55 F57 H58 V161 L163Q34-M48 WeakPolarHBondContact CA-O 3.1Å; A35-M48 HydrophobicContact CB-CG 4.06Å; A35-M48 PolarHBondContact N-O 3.42Å; A35-M48 PolarHBondContact O-N 2.72Å; M48-D50 HydrophobicContact CE-CB 3.61Å; M48-E55 HydrophobicContact CE-CB 4.18Å; M48-E55 HydrophobicContact CE-CG 4.02Å; M48-F57 WeakPolarHBondContact CA-O 3.19Å; M48-H58 HydrophobicContact CB-CB 3.97Å; M48-V161 HydrophobicContact SD-CG2 3.82Å; M48-L163 HydrophobicContact CE-CD2 4.03Å; M48-L163 HydrophobicContact SD-CD2 3.91Å
49F97.2Very high93Very high38 Ų3846.3 Ų46.317%0.16725%0.251CS..EExtended strand (participates in β ladder)trans-121.6134.4166.4-86.3-99.9000110.2I32 I33 Q34 F47 I56 F57 F79I32-F49 HydrophobicContact CG2-CD1 3.77Å; I32-F49 HydrophobicContact CG2-CE1 4.23Å; I33-F49 CarbonylContact O-C 3.55Å; I33-F49 VanDerWaalsContact O-CA 3.28Å; I33-F49 WeakPolarHBondContact O-CA 3.29Å; Q34-F49 HydrophobicContact CB-CD1 4.22Å; Q34-F49 HydrophobicContact CB-CE1 3.79Å; Q34-F49 HydrophobicContact CB-CE2 4.18Å; Q34-F49 HydrophobicContact CB-CZ 3.77Å; Q34-F49 HydrophobicContact CG-CD2 4.27Å; Q34-F49 HydrophobicContact CG-CE1 4.28Å; Q34-F49 HydrophobicContact CG-CE2 3.75Å; Q34-F49 HydrophobicContact CG-CZ 3.74Å; Q34-F49 VanDerWaalsContact OE1-CZ 3.27Å; F47-F49 AromaticContact CE1-CD2 3.75Å; F47-F49 HydrophobicContact CE1-CD2 3.75Å; F47-F49 AromaticContact CE1-CE2 3.56Å; F47-F49 HydrophobicContact CE1-CE2 3.56Å; F47-F49 HydrophobicContact CZ-CD2 4.22Å; F47-F49 AromaticContact CZ-CE2 3.59Å; F47-F49 HydrophobicContact CZ-CE2 3.59Å; F49-I56 HydrophobicContact CB-CB 4.46Å; F49-I56 HydrophobicContact CB-CD1 4.35Å; F49-I56 PolarHBondContact O-N 3.32Å; F49-F57 HydrophobicContact CB-CD1 4.23Å; F49-F57 HydrophobicContact CB-CE1 3.8Å; F49-F57 HydrophobicContact CB-CE2 4.41Å; F49-F57 HydrophobicContact CB-CZ 3.89Å; F49-F57 AromaticContact CD2-CE1 3.95Å; F49-F57 HydrophobicContact CD2-CE1 3.95Å; F49-F57 AromaticContact CD2-CE2 3.67Å; F49-F57 HydrophobicContact CD2-CE2 3.67Å; F49-F57 AromaticContact CD2-CZ 3.2Å; F49-F57 HydrophobicContact CD2-CZ 3.2Å; F49-F57 HydrophobicContact CE2-CE2 4.41Å; F49-F57 AromaticContact CE2-CZ 3.86Å; F49-F57 HydrophobicContact CE2-CZ 3.86Å; F49-F57 AromaticContact CG-CE1 4Å; F49-F57 HydrophobicContact CG-CE1 4Å; F49-F57 HydrophobicContact CG-CE2 4.42Å; F49-F57 AromaticContact CG-CZ 3.73Å; F49-F57 HydrophobicContact CG-CZ 3.73Å; F49-F57 PolarHBondContact N-O 2.77Å; F49-F57 PolarHBondContact O-N 2.99Å; F49-F79 AromaticContact CE2-CE2 3.91Å; F49-F79 HydrophobicContact CE2-CE2 3.91Å; F49-F79 HydrophobicContact CE2-CZ 4.28Å
50D94.8Very high93.1Very high2 Ų246.5 Ų46.51%0.01125%0.253CS..EExtended strand (participates in β ladder)trans-114.2163.4167.679.326.9000112.2I32 I33 M48 G53 D54I32-D50 WeakPolarHBondContact CA-O 2.86Å; I33-D50 WeakPolarHBondContact CB-OD1 3Å; I33-D50 WeakPolarHBondContact CG1-OD1 3.4Å; I33-D50 PolarHBondContact N-O 2.85Å; I33-D50 PolarHBondContact N-OD1 2.84Å; I33-D50 PolarHBondContact O-N 2.69Å; M48-D50 HydrophobicContact CE-CB 3.61Å; D50-G53 WeakPolarHBondContact OD2-CA 3.22Å; D50-D54 CarbonylContact C-O 3.56Å; D50-D54 VanDerWaalsContact CA-O 3.23Å; D50-D54 WeakPolarHBondContact CA-O 3.21Å; D50-D54 VanDerWaalsContact CB-O 3.32Å; D50-D54 WeakPolarHBondContact CB-O 3.12Å
51F93.8Very high93.3Very high87 Ų8746.2 Ų46.238%0.38225%0.246SC..EExtended strand (participates in β ladder)trans-127118.4166.1-178.2-98.9000107.8H30 T31 I32 G53 D54 I56H30-F51 HydrophobicContact CB-CE2 3.86Å; H30-F51 HydrophobicContact CB-CZ 3.67Å; H30-F51 AromaticContact CG-CZ 3.74Å; H30-F51 AromaticContact ND1-CZ 3.71Å; T31-F51 CarbonylContact O-C 3.6Å; T31-F51 WeakPolarHBondContact O-CA 2.88Å; I32-F51 HydrophobicContact CD1-CD2 4.39Å; I32-F51 HydrophobicContact CG1-CD2 3.67Å; I32-F51 HydrophobicContact CG1-CE2 4.29Å; F51-G53 PolarHBondContact O-N 2.71Å; F51-G53 VanDerWaalsContact O-N 3.15Å; F51-D54 PolarHBondContact N-O 2.68Å; F51-D54 PolarHBondContact O-N 2.74Å; F51-I56 HydrophobicContact CB-CD1 3.89Å; F51-I56 HydrophobicContact CB-CG1 3.9Å
52D91.5Very high93.6Very high66 Ų6650.1 Ų50.135%0.35325%0.253SS..THydrogen-bonded Turntrans51.334.8-176.5-64.1-24.4000113.9H30 T31 D54H30-D52 VanDerWaalsContact CA-OD1 3.26Å; H30-D52 WeakPolarHBondContact CA-OD1 3.31Å; H30-D52 IonicContact CE1-OD2 3.14Å; H30-D52 IonicContact CG-OD2 2.92Å; H30-D52 IonicContact ND1-OD2 3.47Å; H30-D52 PolarHBondContact ND1-OD2 3.04Å; T31-D52 PolarHBondContact N-OD1 2.84Å; T31-D52 PolarHBondContact O-N 2.73Å; T31-D52 PolarHBondContact OG1-OD1 3.02Å; D52-D54 VanDerWaalsContact C-N 3.33Å
53G90.9Very high94.3Very high11 Ų1152.4 Ų52.411%0.11326%0.259CS..THydrogen-bonded Turntrans83.11-18000000115.3D50 F51 R171D50-G53 WeakPolarHBondContact OD2-CA 3.22Å; F51-G53 PolarHBondContact O-N 2.71Å; F51-G53 VanDerWaalsContact O-N 3.15Å; G53-R171 PolarHBondContact O-NH2 3.4Å
54D93.1Very high94.9Very high124 Ų12449.5 Ų49.566%0.66325%0.253SS*.EExtended strand (participates in β ladder)trans-99.4127171-75.5-46.6000110.8D50 F51 D52 I56D50-D54 CarbonylContact C-O 3.56Å; D50-D54 VanDerWaalsContact CA-O 3.23Å; D50-D54 WeakPolarHBondContact CA-O 3.21Å; D50-D54 VanDerWaalsContact CB-O 3.32Å; D50-D54 WeakPolarHBondContact CB-O 3.12Å; F51-D54 PolarHBondContact N-O 2.68Å; F51-D54 PolarHBondContact O-N 2.74Å; D52-D54 VanDerWaalsContact C-N 3.33Å; D54-I56 PolarHBondContact O-N 3.47Å
55E96.4Very high95.4Very high17 Ų1750.4 Ų50.48%0.07925%0.254CS..EExtended strand (participates in β ladder)trans-56.5128.1179.9-174.9-170.5177.300112.1M48 H58 R69 V161 L163M48-E55 HydrophobicContact CE-CB 4.18Å; M48-E55 HydrophobicContact CE-CG 4.02Å; E55-H58 IonicContact OE1-CE1 2.8Å; E55-H58 IonicContact OE1-CG 3.31Å; E55-H58 IonicContact OE1-ND1 3.47Å; E55-H58 PolarHBondContact OE1-ND1 3.39Å; E55-R69 HydrophobicContact CB-CB 4.36Å; E55-R69 HydrophobicContact CB-CG 4.37Å; E55-R69 HydrophobicContact CG-CB 4.24Å; E55-R69 WeakPolarHBondContact O-CB 3.37Å; E55-R69 WeakPolarHBondContact O-CG 3.39Å; E55-R69 WeakPolarHBondContact OE2-CD 3.47Å; E55-V161 HydrophobicContact CG-CG2 4.22Å; E55-L163 HydrophobicContact CB-CD2 4.17Å
56I96.5Very high95.6Very high37 Ų3750.8 Ų50.819%0.1925%0.252CS..EExtended strand (participates in β ladder)trans-85.4-55.1167.5-50.2177.4000109F49 F51 D54 W68 R69 F73F49-I56 HydrophobicContact CB-CB 4.46Å; F49-I56 HydrophobicContact CB-CD1 4.35Å; F49-I56 PolarHBondContact O-N 3.32Å; F51-I56 HydrophobicContact CB-CD1 3.89Å; F51-I56 HydrophobicContact CB-CG1 3.9Å; D54-I56 PolarHBondContact O-N 3.47Å; I56-W68 HydrophobicContact CG2-CE3 4.15Å; I56-W68 HydrophobicContact CG2-CZ3 3.71Å; I56-R69 WeakPolarHBondContact O-CB 3.27Å; I56-R69 PolarHBondContact O-N 2.92Å; I56-F73 HydrophobicContact CG2-CD2 4.41Å
57F97.7Very high95.6Very high13 Ų1352.1 Ų52.16%0.05726%0.26CS..EExtended strand (participates in β ladder)trans-159.4163.4178.468.4-97.9000111.1F47 M48 F49 T66 I67 W68 F79F47-F57 HydrophobicContact CE1-CE2 4.37Å; M48-F57 WeakPolarHBondContact CA-O 3.19Å; F49-F57 HydrophobicContact CB-CD1 4.23Å; F49-F57 HydrophobicContact CB-CE1 3.8Å; F49-F57 HydrophobicContact CB-CE2 4.41Å; F49-F57 HydrophobicContact CB-CZ 3.89Å; F49-F57 AromaticContact CD2-CE1 3.95Å; F49-F57 HydrophobicContact CD2-CE1 3.95Å; F49-F57 AromaticContact CD2-CE2 3.67Å; F49-F57 HydrophobicContact CD2-CE2 3.67Å; F49-F57 AromaticContact CD2-CZ 3.2Å; F49-F57 HydrophobicContact CD2-CZ 3.2Å; F49-F57 HydrophobicContact CE2-CE2 4.41Å; F49-F57 AromaticContact CE2-CZ 3.86Å; F49-F57 HydrophobicContact CE2-CZ 3.86Å; F49-F57 AromaticContact CG-CE1 4Å; F49-F57 HydrophobicContact CG-CE1 4Å; F49-F57 HydrophobicContact CG-CE2 4.42Å; F49-F57 AromaticContact CG-CZ 3.73Å; F49-F57 HydrophobicContact CG-CZ 3.73Å; F49-F57 PolarHBondContact N-O 2.77Å; F49-F57 PolarHBondContact O-N 2.99Å; F57-T66 HydrophobicContact CB-CG2 4.09Å; F57-T66 HydrophobicContact CD2-CG2 3.63Å; F57-T66 HydrophobicContact CE2-CG2 4.24Å; F57-T66 HydrophobicContact CG-CG2 3.91Å; F57-I67 CarbonylContact C-O 3.57Å; F57-I67 WeakPolarHBondContact CA-O 3.3Å; F57-I67 VanDerWaalsContact CB-O 3.25Å; F57-I67 WeakPolarHBondContact CB-O 3.4Å; F57-W68 HydrophobicContact CB-CD2 4.1Å; F57-W68 HydrophobicContact CB-CE3 3.94Å; F57-W68 HydrophobicContact CB-CG 4.47Å; F57-W68 HydrophobicContact CB-CZ3 4.36Å; F57-W68 HydrophobicContact CD1-CE3 4.14Å; F57-W68 AromaticContact CD1-CH2 3.81Å; F57-W68 HydrophobicContact CD1-CH2 3.81Å; F57-W68 HydrophobicContact CD1-CZ2 4.42Å; F57-W68 AromaticContact CD1-CZ3 3.68Å; F57-W68 HydrophobicContact CD1-CZ3 3.68Å; F57-W68 HydrophobicContact CE1-CH2 4.28Å; F57-W68 HydrophobicContact CE1-CZ3 4.47Å; F57-W68 HydrophobicContact CG-CE3 4.46Å; F57-W68 HydrophobicContact CG-CZ3 4.41Å; F57-F79 HydrophobicContact CD2-CD1 4.39Å; F57-F79 HydrophobicContact CD2-CG 4.49Å; F57-F79 HydrophobicContact CE1-CB 4.08Å; F57-F79 HydrophobicContact CE1-CD2 4.36Å; F57-F79 HydrophobicContact CE1-CG 4.26Å; F57-F79 HydrophobicContact CE2-CB 3.88Å; F57-F79 AromaticContact CE2-CD1 3.49Å; F57-F79 HydrophobicContact CE2-CD1 3.49Å; F57-F79 VanDerWaalsContact CE2-CD1 3.49Å; F57-F79 AromaticContact CE2-CD2 3.97Å; F57-F79 HydrophobicContact CE2-CD2 3.97Å; F57-F79 AromaticContact CE2-CE1 3.97Å; F57-F79 HydrophobicContact CE2-CE1 3.97Å; F57-F79 HydrophobicContact CE2-CE2 4.38Å; F57-F79 AromaticContact CE2-CG 3.5Å; F57-F79 HydrophobicContact CE2-CG 3.5Å; F57-F79 VanDerWaalsContact CE2-CG 3.5Å; F57-F79 HydrophobicContact CE2-CZ 4.38Å; F57-F79 HydrophobicContact CZ-CB 3.63Å; F57-F79 AromaticContact CZ-CD1 3.87Å; F57-F79 HydrophobicContact CZ-CD1 3.87Å; F57-F79 AromaticContact CZ-CD2 3.44Å; F57-F79 HydrophobicContact CZ-CD2 3.44Å; F57-F79 VanDerWaalsContact CZ-CD2 3.44Å; F57-F79 HydrophobicContact CZ-CE1 4.39Å; F57-F79 HydrophobicContact CZ-CE2 4.01Å; F57-F79 AromaticContact CZ-CG 3.35Å; F57-F79 HydrophobicContact CZ-CG 3.35Å; F57-F79 HydrophobicContact CZ-CZ 4.45Å
58H98Very high95.6Very high42 Ų4253.9 Ų53.919%0.19427%0.266CS..EExtended strand (participates in β ladder)trans-129.5170.9164.966.9-87.8000111F47 M48 E55 I67 V161F47-H58 CarbonylContact O-C 3.59Å; F47-H58 VanDerWaalsContact O-CA 3.29Å; F47-H58 WeakPolarHBondContact O-CA 3.29Å; F47-H58 WeakPolarHBondContact O-CB 3.32Å; M48-H58 HydrophobicContact CB-CB 3.97Å; E55-H58 IonicContact OE1-CE1 2.8Å; E55-H58 IonicContact OE1-CG 3.31Å; E55-H58 IonicContact OE1-ND1 3.47Å; E55-H58 PolarHBondContact OE1-ND1 3.39Å; H58-I67 PolarHBondContact N-O 3.31Å; H58-I67 PolarHBondContact O-N 2.88Å; H58-V161 HydrophobicContact CB-CG1 3.7Å; H58-V161 VanDerWaalsContact CG-CG1 3.41Å; H58-V161 WeakPolarHBondContact ND1-CG1 3.37Å
59V98Very high95.5Very high5 Ų558.9 Ų58.93%0.0329%0.285CS..EExtended strand (participates in β ladder)trans-107.8121.8173.4177.90000109.9F47 I61 E65 F79 A81 A84F47-V59 HydrophobicContact CD1-CG2 3.96Å; F47-V59 PolarHBondContact O-N 2.79Å; V59-I61 HydrophobicContact CB-CD1 4.37Å; V59-I61 HydrophobicContact CG1-CD1 4.05Å; V59-I61 PolarHBondContact O-N 2.93Å; V59-I61 VanDerWaalsContact O-N 3.08Å; V59-E65 WeakPolarHBondContact CA-O 3.31Å; V59-F79 HydrophobicContact CG2-CD1 4.08Å; V59-F79 HydrophobicContact CG2-CE1 3.86Å; V59-A81 HydrophobicContact CG1-CB 3.72Å; V59-A81 HydrophobicContact CG2-CB 4.38Å; V59-A84 HydrophobicContact CB-CB 4.06Å; V59-A84 HydrophobicContact CG1-CB 4.22Å; V59-A84 HydrophobicContact CG2-CB 3.69Å
60D96.2Very high95.4Very high33 Ų3361.1 Ų61.118%0.17630%0.299CS..EExtended strand (participates in β ladder)trans-7399.3166.6-174.9-35.1000108.1K62 K63 S64 E65 I67D60-K62 PolarHBondContact O-N 3.29Å; D60-K62 PolarHBondContact OD1-N 3.41Å; D60-K63 HydrophobicContact CB-CB 4.16Å; D60-K63 PolarHBondContact O-N 3.48Å; D60-K63 PolarHBondContact OD1-N 3.44Å; D60-K63 VanDerWaalsContact OD2-CD 3.31Å; D60-K63 WeakPolarHBondContact OD2-CD 3.28Å; D60-K63 VanDerWaalsContact OD2-CE 3.28Å; D60-K63 WeakPolarHBondContact OD2-CE 3.48Å; D60-K63 WeakPolarHBondContact OD2-CG 3.34Å; D60-K63 IonicContact OD2-NZ 3.96Å; D60-K63 PolarHBondContact OD2-NZ 2.86Å; D60-S64 WeakPolarHBondContact O-CA 3.26Å; D60-S64 PolarHBondContact O-N 3.27Å; D60-E65 PolarHBondContact N-O 2.94Å; D60-E65 PolarHBondContact O-N 3.47Å; D60-I67 HydrophobicContact CB-CD1 4.49Å; D60-I67 HydrophobicContact CB-CG1 3.99Å
61I93.9Very high95.3Very high51 Ų5169.1 Ų69.126%0.26234%0.336SS..THydrogen-bonded Turntrans-59.5-30.6-176.2-56.6-59.2000112.3V59 L85 I88V59-I61 HydrophobicContact CB-CD1 4.37Å; V59-I61 HydrophobicContact CG1-CD1 4.05Å; V59-I61 PolarHBondContact O-N 2.93Å; V59-I61 VanDerWaalsContact O-N 3.08Å; I61-L85 HydrophobicContact CB-CD2 4.31Å; I61-L85 HydrophobicContact CD1-CD2 3.84Å; I61-L85 HydrophobicContact CG2-CD2 3.86Å; I61-I88 HydrophobicContact CD1-CG1 3.83Å
62K92.6Very high95.4Very high182 Ų18270 Ų7079%0.79134%0.341SS*.THydrogen-bonded Turntrans-79.8-36.7-178.2-68.6177.1-178169.20111.6D60D60-K62 PolarHBondContact O-N 3.29Å; D60-K62 PolarHBondContact OD1-N 3.41Å
63K95Very high95.5Very high128 Ų12870 Ų7056%0.55734%0.338SS*.THydrogen-bonded Turntrans-87-14.9177.7-62.2-175.9-163.3123.40113.1D60 E65D60-K63 HydrophobicContact CB-CB 4.16Å; D60-K63 PolarHBondContact O-N 3.48Å; D60-K63 PolarHBondContact OD1-N 3.44Å; D60-K63 VanDerWaalsContact OD2-CD 3.31Å; D60-K63 WeakPolarHBondContact OD2-CD 3.28Å; D60-K63 VanDerWaalsContact OD2-CE 3.28Å; D60-K63 WeakPolarHBondContact OD2-CE 3.48Å; D60-K63 WeakPolarHBondContact OD2-CG 3.34Å; D60-K63 IonicContact OD2-NZ 3.96Å; D60-K63 PolarHBondContact OD2-NZ 2.86Å; K63-E65 VanDerWaalsContact C-N 3.27Å; K63-E65 HydrophobicContact CB-CB 4.16Å; K63-E65 HydrophobicContact CB-CG 4.07Å
64S95.7Very high95.7Very high67 Ų6772 Ų7247%0.46935%0.353SS..THydrogen-bonded Turntrans58.640-172.3-55.60000112.1D60 A81 L85D60-S64 WeakPolarHBondContact O-CA 3.26Å; D60-S64 PolarHBondContact O-N 3.27Å; S64-A81 WeakPolarHBondContact O-CB 3.43Å; S64-L85 WeakPolarHBondContact OG-CD1 3.35Å
65E96.3Very high95.8Very high103 Ų10373.8 Ų73.848%0.48136%0.357SS..EExtended strand (participates in β ladder)trans-125.5141.2-173.4-73.8175.1175.500111.1V59 D60 K63 I67V59-E65 WeakPolarHBondContact CA-O 3.31Å; D60-E65 PolarHBondContact N-O 2.94Å; D60-E65 PolarHBondContact O-N 3.47Å; K63-E65 VanDerWaalsContact C-N 3.27Å; K63-E65 HydrophobicContact CB-CB 4.16Å; K63-E65 HydrophobicContact CB-CG 4.07Å; E65-I67 HydrophobicContact CB-CD1 4.23Å
66T97.7Very high95.7Very high28 Ų2880.5 Ų80.517%0.17239%0.387CS..EExtended strand (participates in β ladder)trans-82121.2170.2-57.10000109F57 W68 F79F57-T66 HydrophobicContact CB-CG2 4.09Å; F57-T66 HydrophobicContact CD2-CG2 3.63Å; F57-T66 HydrophobicContact CE2-CG2 4.24Å; F57-T66 HydrophobicContact CG-CG2 3.91Å; T66-W68 HydrophobicContact CG2-CZ2 4.34Å; T66-F79 HydrophobicContact CG2-CB 3.91Å; T66-F79 HydrophobicContact CG2-CD1 4.39Å; T66-F79 PolarHBondContact OG1-O 2.92Å
67I97.1Very high95.6Very high57 Ų5780.4 Ų80.429%0.29239%0.392SS..EExtended strand (participates in β ladder)trans-106.5113.4179-52.3-57.5000108.8F57 H58 D60 E65F57-I67 CarbonylContact C-O 3.57Å; F57-I67 WeakPolarHBondContact CA-O 3.3Å; F57-I67 VanDerWaalsContact CB-O 3.25Å; F57-I67 WeakPolarHBondContact CB-O 3.4Å; H58-I67 PolarHBondContact N-O 3.31Å; H58-I67 PolarHBondContact O-N 2.88Å; D60-I67 HydrophobicContact CB-CD1 4.49Å; D60-I67 HydrophobicContact CB-CG1 3.99Å; E65-I67 HydrophobicContact CB-CD1 4.23Å
68W97.2Very high95.5Very high40 Ų4085.1 Ų85.115%0.15243%0.426CS..EExtended strand (participates in β ladder)trans-80.5139178.2-64.886.3000110.8I56 F57 T66 L70 F73 A74 A77I56-W68 HydrophobicContact CG2-CE3 4.15Å; I56-W68 HydrophobicContact CG2-CZ3 3.71Å; F57-W68 HydrophobicContact CB-CD2 4.1Å; F57-W68 HydrophobicContact CB-CE3 3.94Å; F57-W68 HydrophobicContact CB-CG 4.47Å; F57-W68 HydrophobicContact CB-CZ3 4.36Å; F57-W68 HydrophobicContact CD1-CE3 4.14Å; F57-W68 AromaticContact CD1-CH2 3.81Å; F57-W68 HydrophobicContact CD1-CH2 3.81Å; F57-W68 HydrophobicContact CD1-CZ2 4.42Å; F57-W68 AromaticContact CD1-CZ3 3.68Å; F57-W68 HydrophobicContact CD1-CZ3 3.68Å; F57-W68 HydrophobicContact CE1-CH2 4.28Å; F57-W68 HydrophobicContact CE1-CZ3 4.47Å; F57-W68 HydrophobicContact CG-CE3 4.46Å; F57-W68 HydrophobicContact CG-CZ3 4.41Å; T66-W68 HydrophobicContact CG2-CZ2 4.34Å; W68-L70 WeakPolarHBondContact CB-O 3.49Å; W68-L70 PolarHBondContact O-N 3.28Å; W68-F73 HydrophobicContact CB-CB 4.46Å; W68-F73 HydrophobicContact CD2-CB 4.06Å; W68-F73 HydrophobicContact CE3-CB 3.45Å; W68-F73 VanDerWaalsContact CE3-CB 3.45Å; W68-F73 HydrophobicContact CE3-CD2 4.37Å; W68-F73 HydrophobicContact CE3-CG 4.44Å; W68-F73 HydrophobicContact CG-CB 4.5Å; W68-F73 HydrophobicContact CZ3-CB 4.07Å; W68-A74 HydrophobicContact CB-CB 4.49Å; W68-A74 VanDerWaalsContact CD1-CB 3.4Å; W68-A74 HydrophobicContact CD2-CB 4.47Å; W68-A74 HydrophobicContact CG-CB 3.87Å; W68-A77 HydrophobicContact CH2-CB 3.35Å; W68-A77 VanDerWaalsContact CZ2-C 3.5Å; W68-A77 HydrophobicContact CZ2-CB 4Å; W68-A77 WeakPolarHBondContact CZ2-O 3.34Å; W68-A77 HydrophobicContact CZ3-CB 3.81Å
69R95.4Very high95.4Very high106 Ų10686 Ų8640%0.443%0.429SS..SBendtrans-59.7-39.7177.6178.561.8-176.1132.8-8.6111.9E55 I56E55-R69 HydrophobicContact CB-CB 4.36Å; E55-R69 HydrophobicContact CB-CG 4.37Å; E55-R69 HydrophobicContact CG-CB 4.24Å; E55-R69 WeakPolarHBondContact O-CB 3.37Å; E55-R69 WeakPolarHBondContact O-CG 3.39Å; E55-R69 WeakPolarHBondContact OE2-CD 3.47Å; I56-R69 WeakPolarHBondContact O-CB 3.27Å; I56-R69 PolarHBondContact O-N 2.92Å
70L95.1Very high95.3Very high85 Ų8593.1 Ų93.145%0.44546%0.462SS..SBendtrans-118.5129172.2-62.7-178.2000108.9W68 E72 F73W68-L70 WeakPolarHBondContact CB-O 3.49Å; W68-L70 PolarHBondContact O-N 3.28Å; L70-E72 PolarHBondContact O-N 3.27Å; L70-F73 HydrophobicContact CB-CD1 4.27Å; L70-F73 HydrophobicContact CB-CD2 4.16Å; L70-F73 HydrophobicContact CB-CE1 4.4Å; L70-F73 HydrophobicContact CB-CE2 4.28Å; L70-F73 HydrophobicContact CB-CG 4.17Å; L70-F73 HydrophobicContact CB-CZ 4.42Å; L70-F73 HydrophobicContact CD1-CE1 4Å; L70-F73 HydrophobicContact CD1-CE2 4.14Å; L70-F73 HydrophobicContact CD1-CZ 3.72Å; L70-F73 HydrophobicContact CG-CE2 4.37Å; L70-F73 HydrophobicContact CG-CZ 4.41Å; L70-F73 WeakPolarHBondContact O-CB 3.49Å; L70-F73 PolarHBondContact O-N 3.48Å
71E93.6Very high95.4Very high169 Ų16992 Ų9279%0.7946%0.458SS*.G310 helixtrans-60.9-29.4-176.5-66.2-177179.500112.3F73 A74E71-F73 PolarHBondContact O-N 2.85Å; E71-A74 WeakPolarHBondContact O-CB 3.43Å; E71-A74 PolarHBondContact O-N 2.94Å
72E95.3Very high95.5Very high107 Ų10795.2 Ų95.250%0.547%0.472SS..G310 helixtrans-63.4-29.4177.9-60.186.916600112.6L70 A74 Q75 F76L70-E72 PolarHBondContact O-N 3.27Å; E72-A74 PolarHBondContact O-N 2.92Å; E72-Q75 VanDerWaalsContact O-CB 3.28Å; E72-Q75 WeakPolarHBondContact O-CB 3.26Å; E72-Q75 WeakPolarHBondContact O-CG 3.42Å; E72-Q75 PolarHBondContact O-N 3.33Å; E72-Q75 VanDerWaalsContact O-N 3.09Å; E72-F76 WeakPolarHBondContact O-CD1 3.46Å; E72-F76 WeakPolarHBondContact O-CE1 3.12Å
73F94.6Very high95.7Very high66 Ų6688.2 Ų88.229%0.28945%0.452SS..G310 helixtrans-65.7-31.6178.8-66.7-6.6000111.8I56 W68 L70 E71 Q75 F76 A77I56-F73 HydrophobicContact CG2-CD2 4.41Å; W68-F73 HydrophobicContact CB-CB 4.46Å; W68-F73 HydrophobicContact CD2-CB 4.06Å; W68-F73 HydrophobicContact CE3-CB 3.45Å; W68-F73 VanDerWaalsContact CE3-CB 3.45Å; W68-F73 HydrophobicContact CE3-CD2 4.37Å; W68-F73 HydrophobicContact CE3-CG 4.44Å; W68-F73 HydrophobicContact CG-CB 4.5Å; W68-F73 HydrophobicContact CZ3-CB 4.07Å; L70-F73 HydrophobicContact CB-CD1 4.27Å; L70-F73 HydrophobicContact CB-CD2 4.16Å; L70-F73 HydrophobicContact CB-CE1 4.4Å; L70-F73 HydrophobicContact CB-CE2 4.28Å; L70-F73 HydrophobicContact CB-CG 4.17Å; L70-F73 HydrophobicContact CB-CZ 4.42Å; L70-F73 HydrophobicContact CD1-CE1 4Å; L70-F73 HydrophobicContact CD1-CE2 4.14Å; L70-F73 HydrophobicContact CD1-CZ 3.72Å; L70-F73 HydrophobicContact CG-CE2 4.37Å; L70-F73 HydrophobicContact CG-CZ 4.41Å; L70-F73 WeakPolarHBondContact O-CB 3.49Å; L70-F73 PolarHBondContact O-N 3.48Å; E71-F73 PolarHBondContact O-N 2.85Å; F73-Q75 PolarHBondContact O-N 3.46Å; F73-Q75 VanDerWaalsContact O-N 3.11Å; F73-F76 HydrophobicContact CB-CZ 4.26Å; F73-F76 AromaticContact CD1-CE1 3.9Å; F73-F76 HydrophobicContact CD1-CE1 3.9Å; F73-F76 AromaticContact CD1-CZ 3.47Å; F73-F76 HydrophobicContact CD1-CZ 3.47Å; F73-F76 VanDerWaalsContact CD1-CZ 3.47Å; F73-F76 HydrophobicContact CE1-CZ 4.12Å; F73-F76 HydrophobicContact CG-CZ 4.14Å; F73-F76 PolarHBondContact O-N 3.44Å; F73-A77 PolarHBondContact O-N 3.48Å
74A94Very high95.8Very high51 Ų5182.1 Ų82.142%0.42143%0.425SS..G310 helixtrans-64.2-14.3175.300000113.4W68 E71 E72W68-A74 HydrophobicContact CB-CB 4.49Å; W68-A74 VanDerWaalsContact CD1-CB 3.4Å; W68-A74 HydrophobicContact CD2-CB 4.47Å; W68-A74 HydrophobicContact CG-CB 3.87Å; E71-A74 WeakPolarHBondContact O-CB 3.43Å; E71-A74 PolarHBondContact O-N 2.94Å; E72-A74 PolarHBondContact O-N 2.92Å
75Q94.8Very high95.9Very high162 Ų16280.5 Ų80.576%0.75741%0.411SS*.G310 helixtrans-80-25.8-179.4-58.4179.316.900113E72 F73E72-Q75 VanDerWaalsContact O-CB 3.28Å; E72-Q75 WeakPolarHBondContact O-CB 3.26Å; E72-Q75 WeakPolarHBondContact O-CG 3.42Å; E72-Q75 PolarHBondContact O-N 3.33Å; E72-Q75 VanDerWaalsContact O-N 3.09Å; F73-Q75 PolarHBondContact O-N 3.46Å; F73-Q75 VanDerWaalsContact O-N 3.11Å
76F94.8Very high95.9Very high159 Ų15977.9 Ų77.970%0.69741%0.407SS*.THydrogen-bonded Turntrans-127.8-7.9-175.360.7-98.4000114E72 F73E72-F76 WeakPolarHBondContact O-CD1 3.46Å; E72-F76 WeakPolarHBondContact O-CE1 3.12Å; F73-F76 HydrophobicContact CB-CZ 4.26Å; F73-F76 AromaticContact CD1-CE1 3.9Å; F73-F76 HydrophobicContact CD1-CE1 3.9Å; F73-F76 AromaticContact CD1-CZ 3.47Å; F73-F76 HydrophobicContact CD1-CZ 3.47Å; F73-F76 VanDerWaalsContact CD1-CZ 3.47Å; F73-F76 HydrophobicContact CE1-CZ 4.12Å; F73-F76 HydrophobicContact CG-CZ 4.14Å; F73-F76 PolarHBondContact O-N 3.44Å
77A94.6Very high95.9Very high35 Ų3579.2 Ų79.229%0.28941%0.413SS..  trans-129.5155.2175.400000110.9W68 F73W68-A77 HydrophobicContact CH2-CB 3.35Å; W68-A77 VanDerWaalsContact CZ2-C 3.5Å; W68-A77 HydrophobicContact CZ2-CB 4Å; W68-A77 WeakPolarHBondContact CZ2-O 3.34Å; W68-A77 HydrophobicContact CZ3-CB 3.81Å; F73-A77 PolarHBondContact O-N 3.48Å
78S95.4Very high95.9Very high112 Ų11277 Ų7778%0.78340%0.401SS*.  trans-145.7146.5179.562.60000109.7
79F96.4Very high95.8Very high60 Ų6078 Ų7826%0.26342%0.418SS..  trans-136.2135.9171.4179.5-94.7000109.4F47 F49 F57 V59 T66 A81 A84F47-F79 HydrophobicContact CD1-CE1 4.45Å; F47-F79 AromaticContact CE1-CE1 3.79Å; F47-F79 HydrophobicContact CE1-CE1 3.79Å; F47-F79 HydrophobicContact CE1-CE2 4.36Å; F47-F79 AromaticContact CE1-CZ 3.52Å; F47-F79 HydrophobicContact CE1-CZ 3.52Å; F47-F79 HydrophobicContact CZ-CE1 4.4Å; F47-F79 AromaticContact CZ-CZ 3.74Å; F47-F79 HydrophobicContact CZ-CZ 3.74Å; F49-F79 AromaticContact CE2-CE2 3.91Å; F49-F79 HydrophobicContact CE2-CE2 3.91Å; F49-F79 HydrophobicContact CE2-CZ 4.28Å; F57-F79 HydrophobicContact CD2-CD1 4.39Å; F57-F79 HydrophobicContact CD2-CG 4.49Å; F57-F79 HydrophobicContact CE1-CB 4.08Å; F57-F79 HydrophobicContact CE1-CD2 4.36Å; F57-F79 HydrophobicContact CE1-CG 4.26Å; F57-F79 HydrophobicContact CE2-CB 3.88Å; F57-F79 AromaticContact CE2-CD1 3.49Å; F57-F79 HydrophobicContact CE2-CD1 3.49Å; F57-F79 VanDerWaalsContact CE2-CD1 3.49Å; F57-F79 AromaticContact CE2-CD2 3.97Å; F57-F79 HydrophobicContact CE2-CD2 3.97Å; F57-F79 AromaticContact CE2-CE1 3.97Å; F57-F79 HydrophobicContact CE2-CE1 3.97Å; F57-F79 HydrophobicContact CE2-CE2 4.38Å; F57-F79 AromaticContact CE2-CG 3.5Å; F57-F79 HydrophobicContact CE2-CG 3.5Å; F57-F79 VanDerWaalsContact CE2-CG 3.5Å; F57-F79 HydrophobicContact CE2-CZ 4.38Å; F57-F79 HydrophobicContact CZ-CB 3.63Å; F57-F79 AromaticContact CZ-CD1 3.87Å; F57-F79 HydrophobicContact CZ-CD1 3.87Å; F57-F79 AromaticContact CZ-CD2 3.44Å; F57-F79 HydrophobicContact CZ-CD2 3.44Å; F57-F79 VanDerWaalsContact CZ-CD2 3.44Å; F57-F79 HydrophobicContact CZ-CE1 4.39Å; F57-F79 HydrophobicContact CZ-CE2 4.01Å; F57-F79 AromaticContact CZ-CG 3.35Å; F57-F79 HydrophobicContact CZ-CG 3.35Å; F57-F79 HydrophobicContact CZ-CZ 4.45Å; V59-F79 HydrophobicContact CG2-CD1 4.08Å; V59-F79 HydrophobicContact CG2-CE1 3.86Å; T66-F79 HydrophobicContact CG2-CB 3.91Å; T66-F79 HydrophobicContact CG2-CD1 4.39Å; T66-F79 PolarHBondContact OG1-O 2.92Å; F79-A81 PolarHBondContact O-N 2.98Å; F79-A84 HydrophobicContact CE1-CB 4.05Å; F79-A84 HydrophobicContact CZ-CB 4.45Å
80E96.5Very high95.9Very high154 Ų15476.7 Ų76.772%0.7242%0.422SS*.  trans-85.2106.8178.5-174.6175.9-14700110.2Q82 G83E80-Q82 HydrophobicContact CG-CB 3.97Å; E80-Q82 PolarHBondContact O-N 3.45Å; E80-G83 PolarHBondContact O-N 3.33Å
81A97.2Very high96Very high10 Ų1074.2 Ų74.28%0.08341%0.409CS..Hα-helixtrans-54.5-27.1-178.900000113.6V59 S64 F79 G83 A84 L85V59-A81 HydrophobicContact CG1-CB 3.72Å; V59-A81 HydrophobicContact CG2-CB 4.38Å; S64-A81 WeakPolarHBondContact O-CB 3.43Å; F79-A81 PolarHBondContact O-N 2.98Å; A81-G83 PolarHBondContact O-N 2.91Å; A81-A84 WeakPolarHBondContact O-CB 3.33Å; A81-A84 PolarHBondContact O-N 3.31Å; A81-A84 VanDerWaalsContact O-N 3.1Å; A81-L85 WeakPolarHBondContact O-CG 3.32Å; A81-L85 PolarHBondContact O-N 2.93Å
82Q97.2Very high96.2Very high118 Ų11870 Ų7055%0.55139%0.388SS*.Hα-helixtrans-57.9-34-179.1-170.458.349.900113.3E80 L85 A86E80-Q82 HydrophobicContact CG-CB 3.97Å; E80-Q82 PolarHBondContact O-N 3.45Å; Q82-L85 PolarHBondContact O-N 2.89Å; Q82-A86 PolarHBondContact O-N 2.95Å; Q82-A86 VanDerWaalsContact O-N 3.08Å
83G96Very high96.3Very high36 Ų3667.2 Ų67.237%0.37138%0.384SS..Hα-helixtrans-64.1-47175.400000111.9E80 A81 L85 A86 N87E80-G83 PolarHBondContact O-N 3.33Å; A81-G83 PolarHBondContact O-N 2.91Å; G83-L85 PolarHBondContact O-N 3.43Å; G83-A86 WeakPolarHBondContact O-CB 3.45Å; G83-A86 PolarHBondContact O-N 2.81Å; G83-N87 PolarHBondContact O-N 3.33Å; G83-N87 VanDerWaalsContact O-N 3.09Å
84A97.3Very high96.4Very high0 Ų067.9 Ų67.90%039%0.39CS..Hα-helixtrans-61.1-42.7175.100000112.1F47 V59 F79 A81 A86 N87 I88F47-A84 HydrophobicContact CB-CB 3.92Å; F47-A84 HydrophobicContact CD1-CB 3.46Å; F47-A84 VanDerWaalsContact CD1-CB 3.46Å; F47-A84 HydrophobicContact CD2-CB 3.64Å; F47-A84 HydrophobicContact CE1-CB 3.8Å; F47-A84 HydrophobicContact CE2-CB 3.96Å; F47-A84 HydrophobicContact CG-CB 3.38Å; F47-A84 HydrophobicContact CZ-CB 4.04Å; V59-A84 HydrophobicContact CB-CB 4.06Å; V59-A84 HydrophobicContact CG1-CB 4.22Å; V59-A84 HydrophobicContact CG2-CB 3.69Å; F79-A84 HydrophobicContact CE1-CB 4.05Å; F79-A84 HydrophobicContact CZ-CB 4.45Å; A81-A84 WeakPolarHBondContact O-CB 3.33Å; A81-A84 PolarHBondContact O-N 3.31Å; A81-A84 VanDerWaalsContact O-N 3.1Å; A84-A86 VanDerWaalsContact C-N 3.26Å; A84-A86 PolarHBondContact O-N 2.97Å; A84-N87 PolarHBondContact O-N 2.95Å; A84-I88 WeakPolarHBondContact O-CG1 3.36Å; A84-I88 PolarHBondContact O-N 2.85Å
85L96.8Very high96.5Very high32 Ų3267.3 Ų67.317%0.16838%0.38CS..Hα-helixtrans-60.3-36.9176.5-63.1177.9000112.2I61 S64 A81 Q82 G83 A89I61-L85 HydrophobicContact CB-CD2 4.31Å; I61-L85 HydrophobicContact CD1-CD2 3.84Å; I61-L85 HydrophobicContact CG2-CD2 3.86Å; S64-L85 WeakPolarHBondContact OG-CD1 3.35Å; A81-L85 WeakPolarHBondContact O-CG 3.32Å; A81-L85 PolarHBondContact O-N 2.93Å; Q82-L85 PolarHBondContact O-N 2.89Å; G83-L85 PolarHBondContact O-N 3.43Å; L85-A89 PolarHBondContact O-N 2.98Å; L85-A89 VanDerWaalsContact O-N 3.11Å
86A97.3Very high96.5Very high49 Ų4963.2 Ų63.241%0.40536%0.363SS..Hα-helixtrans-67.5-41.8175.700000111.9Q82 G83 A84 A89 V90Q82-A86 PolarHBondContact O-N 2.95Å; Q82-A86 VanDerWaalsContact O-N 3.08Å; G83-A86 WeakPolarHBondContact O-CB 3.45Å; G83-A86 PolarHBondContact O-N 2.81Å; A84-A86 VanDerWaalsContact C-N 3.26Å; A84-A86 PolarHBondContact O-N 2.97Å; A86-A89 PolarHBondContact O-N 2.99Å; A86-V90 WeakPolarHBondContact O-CG2 3.31Å; A86-V90 PolarHBondContact O-N 3.46Å; A86-V90 VanDerWaalsContact O-N 3.13Å
87N97.3Very high96.6Very high55 Ų5559.4 Ų59.429%0.29435%0.349SS..Hα-helixtrans-62.2-47.5174.9-757.7000111.7E36 G83 A84 A89 V90 D91E36-N87 VanDerWaalsContact OE2-CB 3.29Å; E36-N87 WeakPolarHBondContact OE2-CB 3.35Å; E36-N87 PolarHBondContact OE2-ND2 3.38Å; G83-N87 PolarHBondContact O-N 3.33Å; G83-N87 VanDerWaalsContact O-N 3.09Å; A84-N87 PolarHBondContact O-N 2.95Å; N87-A89 PolarHBondContact O-N 2.83Å; N87-V90 CarbonylContact O-C 3.53Å; N87-V90 WeakPolarHBondContact O-CA 3.47Å; N87-V90 WeakPolarHBondContact O-CB 3.32Å; N87-V90 PolarHBondContact O-N 3.26Å; N87-D91 PolarHBondContact O-N 3.05Å
88I97.2Very high96.7Very high10 Ų1063.9 Ų63.95%0.05137%0.366CS..Hα-helixtrans-59.5-35.3177.5-67.8-61.1000112.1E36 Y38 F47 I61 A84 V90 D91 K92E36-I88 HydrophobicContact CB-CD1 4.39Å; Y38-I88 HydrophobicContact CD2-CG2 3.75Å; Y38-I88 HydrophobicContact CE2-CG2 4.08Å; F47-I88 HydrophobicContact CB-CD1 4.46Å; F47-I88 HydrophobicContact CB-CG1 4.48Å; I61-I88 HydrophobicContact CD1-CG1 3.83Å; A84-I88 WeakPolarHBondContact O-CG1 3.36Å; A84-I88 PolarHBondContact O-N 2.85Å; I88-V90 VanDerWaalsContact C-N 3.35Å; I88-D91 PolarHBondContact O-N 2.96Å; I88-K92 WeakPolarHBondContact O-CB 3.3Å; I88-K92 PolarHBondContact O-N 3.46Å
89A95.9Very high96.7Very high61 Ų6160.6 Ų60.650%0.50434%0.339SS..Hα-helixtrans-66.3-36.5173.400000112.6L85 A86 N87 A93L85-A89 PolarHBondContact O-N 2.98Å; L85-A89 VanDerWaalsContact O-N 3.11Å; A86-A89 PolarHBondContact O-N 2.99Å; N87-A89 PolarHBondContact O-N 2.83Å; A89-A93 PolarHBondContact O-N 3.1Å
90V97.6Very high96.7Very high80 Ų8065.2 Ų65.249%0.48536%0.359SS..Hα-helixtrans-67.8-44.2173.4171.70000110.8A86 N87 I88 K92 A93 N94A86-V90 WeakPolarHBondContact O-CG2 3.31Å; A86-V90 PolarHBondContact O-N 3.46Å; A86-V90 VanDerWaalsContact O-N 3.13Å; N87-V90 CarbonylContact O-C 3.53Å; N87-V90 WeakPolarHBondContact O-CA 3.47Å; N87-V90 WeakPolarHBondContact O-CB 3.32Å; N87-V90 PolarHBondContact O-N 3.26Å; I88-V90 VanDerWaalsContact C-N 3.35Å; V90-K92 VanDerWaalsContact C-N 3.34Å; V90-K92 PolarHBondContact O-N 3.45Å; V90-A93 PolarHBondContact O-N 3.01Å; V90-A93 VanDerWaalsContact O-N 3.12Å; V90-N94 WeakPolarHBondContact O-CB 3.28Å; V90-N94 VanDerWaalsContact O-CG 3.31Å; V90-N94 PolarHBondContact O-N 2.9Å; V90-N94 PolarHBondContact O-ND2 2.65Å
91D97.1Very high96.8Very high33 Ų3368 Ų6818%0.17636%0.363CS..Hα-helixtrans-60.3-43.8177.8-72.2-23.1000112E36 N87 I88 A93 N94 L95E36-D91 WeakPolarHBondContact CG-OD2 3.23Å; N87-D91 PolarHBondContact O-N 3.05Å; I88-D91 PolarHBondContact O-N 2.96Å; D91-A93 VanDerWaalsContact C-N 3.34Å; D91-A93 PolarHBondContact O-N 2.94Å; D91-N94 PolarHBondContact O-N 3.38Å; D91-L95 WeakPolarHBondContact O-CB 3.46Å; D91-L95 PolarHBondContact O-N 2.82Å
92K96.6Very high96.8Very high80 Ų8069.8 Ų69.835%0.34838%0.375SS..Hα-helixtrans-56.4-47.9172.7179.6178.3-176.2168.40111.9Y38 I88 V90 N94 L95 D96Y38-K92 HydrophobicContact CD1-CB 3.97Å; Y38-K92 HydrophobicContact CD1-CG 4.23Å; Y38-K92 HydrophobicContact CD2-CB 4.36Å; Y38-K92 HydrophobicContact CE1-CB 3.87Å; Y38-K92 HydrophobicContact CE1-CD 4.13Å; Y38-K92 HydrophobicContact CE1-CG 3.68Å; Y38-K92 HydrophobicContact CE2-CB 4.22Å; Y38-K92 HydrophobicContact CE2-CD 4.41Å; Y38-K92 HydrophobicContact CG-CB 4.21Å; Y38-K92 WeakPolarHBondContact OH-CD 3.43Å; I88-K92 WeakPolarHBondContact O-CB 3.3Å; I88-K92 PolarHBondContact O-N 3.46Å; V90-K92 VanDerWaalsContact C-N 3.34Å; V90-K92 PolarHBondContact O-N 3.45Å; K92-N94 VanDerWaalsContact C-N 3.34Å; K92-N94 PolarHBondContact O-N 3.47Å; K92-L95 PolarHBondContact O-N 3.23Å; K92-D96 PolarHBondContact O-N 2.91Å
93A96.9Very high96.7Very high48 Ų4870.6 Ų70.640%0.39738%0.383SS..Hα-helixtrans-64.7-38.9179.100000112.2A89 V90 D91 I97A89-A93 PolarHBondContact O-N 3.1Å; V90-A93 PolarHBondContact O-N 3.01Å; V90-A93 VanDerWaalsContact O-N 3.12Å; D91-A93 VanDerWaalsContact C-N 3.34Å; D91-A93 PolarHBondContact O-N 2.94Å; A93-I97 WeakPolarHBondContact O-CG1 3.32Å; A93-I97 PolarHBondContact O-N 3.24Å
94N97.1Very high96.6Very high80 Ų8074 Ų7443%0.42839%0.393SS..Hα-helixtrans-65-44.6175.4-72.5-21.4000111.3V90 D91 K92 D96 I97 M98V90-N94 WeakPolarHBondContact O-CB 3.28Å; V90-N94 VanDerWaalsContact O-CG 3.31Å; V90-N94 PolarHBondContact O-N 2.9Å; V90-N94 PolarHBondContact O-ND2 2.65Å; D91-N94 PolarHBondContact O-N 3.38Å; K92-N94 VanDerWaalsContact C-N 3.34Å; K92-N94 PolarHBondContact O-N 3.47Å; N94-D96 PolarHBondContact O-N 3.17Å; N94-I97 WeakPolarHBondContact O-CB 3.26Å; N94-I97 PolarHBondContact O-N 3.42Å; N94-I97 VanDerWaalsContact O-N 3.14Å; N94-M98 WeakPolarHBondContact O-CG 3.48Å; N94-M98 PolarHBondContact O-N 3.37Å
95L96.1Very high96.5Very high40 Ų4078.8 Ų78.821%0.20942%0.422CS..Hα-helixtrans-60.2-44.4176.9-17863.9000111.3Y38 D91 K92 I97 M98 I99Y38-L95 HydrophobicContact CD1-CD2 3.83Å; Y38-L95 WeakPolarHBondContact O-CD2 3.33Å; D91-L95 WeakPolarHBondContact O-CB 3.46Å; D91-L95 PolarHBondContact O-N 2.82Å; K92-L95 PolarHBondContact O-N 3.23Å; L95-I97 PolarHBondContact O-N 2.98Å; L95-M98 PolarHBondContact O-N 3.21Å; L95-M98 VanDerWaalsContact O-N 3.07Å; L95-I99 HydrophobicContact CD1-CD1 4.21Å; L95-I99 HydrophobicContact CD1-CG1 4.18Å; L95-I99 HydrophobicContact CD2-CD1 4.4Å; L95-I99 HydrophobicContact CG-CD1 3.86Å; L95-I99 HydrophobicContact CG-CG1 4.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.44Å; L95-I99 PolarHBondContact O-N 3.38Å
96D95.8Very high96.2Very high76 Ų7682.7 Ų82.741%0.40645%0.449SS..Hα-helixtrans-58.9-35.3176.2-77.7-18.9000112.4K92 N94 K100K92-D96 PolarHBondContact O-N 2.91Å; N94-D96 PolarHBondContact O-N 3.17Å; D96-K100 WeakPolarHBondContact O-CD 3.45Å; D96-K100 VanDerWaalsContact O-CG 3.31Å; D96-K100 WeakPolarHBondContact O-CG 3.33Å; D96-K100 PolarHBondContact O-N 3.29Å
97I97.4Very high95.9Very high79 Ų7986.4 Ų86.441%0.40546%0.462SS..Hα-helixtrans-72.2-43.9174.2-66.1168.2000110.4A93 N94 L95 K100 R101A93-I97 WeakPolarHBondContact O-CG1 3.32Å; A93-I97 PolarHBondContact O-N 3.24Å; N94-I97 WeakPolarHBondContact O-CB 3.26Å; N94-I97 PolarHBondContact O-N 3.42Å; N94-I97 VanDerWaalsContact O-N 3.14Å; L95-I97 PolarHBondContact O-N 2.98Å; I97-K100 PolarHBondContact O-N 2.99Å; I97-R101 HydrophobicContact CG2-CG 4.32Å; I97-R101 WeakPolarHBondContact O-CG 3.44Å; I97-R101 PolarHBondContact O-N 3.01Å
98M95.8Very high95.7Very high128 Ų12887 Ų8763%0.63148%0.475SS*.Hα-helixtrans-62.3-45.1179.9-73.9-177.467.700112N94 L95 K100 R101 S102N94-M98 WeakPolarHBondContact O-CG 3.48Å; N94-M98 PolarHBondContact O-N 3.37Å; L95-M98 PolarHBondContact O-N 3.21Å; L95-M98 VanDerWaalsContact O-N 3.07Å; M98-K100 VanDerWaalsContact C-N 3.3Å; M98-K100 PolarHBondContact O-N 3.31Å; M98-R101 PolarHBondContact O-N 3.08Å; M98-R101 VanDerWaalsContact O-N 3.15Å; M98-S102 WeakPolarHBondContact O-CB 3.28Å; M98-S102 PolarHBondContact O-N 3.48Å; M98-S102 PolarHBondContact O-OG 3.19Å
99I95.6Very high95.6Very high43 Ų4390.3 Ų90.322%0.22149%0.493CS..Hα-helixtrans-56-44.7175.5-71.4170.8000110.7L95 S102 N103 N104L95-I99 HydrophobicContact CD1-CD1 4.21Å; L95-I99 HydrophobicContact CD1-CG1 4.18Å; L95-I99 HydrophobicContact CD2-CD1 4.4Å; L95-I99 HydrophobicContact CG-CD1 3.86Å; L95-I99 HydrophobicContact CG-CG1 4.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.44Å; L95-I99 PolarHBondContact O-N 3.38Å; I99-S102 PolarHBondContact O-OG 3.44Å; I99-N103 PolarHBondContact O-N 3.09Å; I99-N104 HydrophobicContact CG2-CB 4.37Å; I99-N104 WeakPolarHBondContact CG2-OD1 3.28Å; I99-N104 PolarHBondContact O-N 3.47Å
100K97Very high95.7Very high157 Ų15790.2 Ų90.268%0.68349%0.486SS*.Hα-helixtrans-66.1-43.2177.6-68.4168.8-168.1169.20111.8D96 I97 M98 N103D96-K100 WeakPolarHBondContact O-CD 3.45Å; D96-K100 VanDerWaalsContact O-CG 3.31Å; D96-K100 WeakPolarHBondContact O-CG 3.33Å; D96-K100 PolarHBondContact O-N 3.29Å; I97-K100 PolarHBondContact O-N 2.99Å; M98-K100 VanDerWaalsContact C-N 3.3Å; M98-K100 PolarHBondContact O-N 3.31Å; K100-N103 PolarHBondContact O-N 3.23Å
101R97.7Very high95.8Very high212 Ų21290.9 Ų90.980%0.849%0.486SS*.Hα-helixtrans-68.1-32.8-179.9-74.4-178.4178.5-175.62112.8I97 M98 N103I97-R101 HydrophobicContact CG2-CG 4.32Å; I97-R101 WeakPolarHBondContact O-CG 3.44Å; I97-R101 PolarHBondContact O-N 3.01Å; M98-R101 PolarHBondContact O-N 3.08Å; M98-R101 VanDerWaalsContact O-N 3.15Å; R101-N103 VanDerWaalsContact C-N 3.26Å; R101-N103 PolarHBondContact O-N 2.84Å
102S96.5Very high95.8Very high49 Ų4989.7 Ų89.734%0.34348%0.479SS..THydrogen-bonded Turntrans-84.52.917773.30000113.3M98 I99 N104 T105M98-S102 WeakPolarHBondContact O-CB 3.28Å; M98-S102 PolarHBondContact O-N 3.48Å; M98-S102 PolarHBondContact O-OG 3.19Å; I99-S102 PolarHBondContact O-OG 3.44Å; S102-N104 PolarHBondContact O-N 2.92Å; S102-T105 WeakPolarHBondContact O-CB 3.36Å; S102-T105 PolarHBondContact O-N 2.8Å; S102-T105 VanDerWaalsContact O-N 3.13Å; S102-T105 PolarHBondContact O-OG1 2.86Å; S102-T105 PolarHBondContact OG-N 2.76Å
103N96.7Very high95.9Very high134 Ų13490.9 Ų90.972%0.71749%0.486SS*.THydrogen-bonded Turntrans53.639.2-171.9-165.241.9000112.9I99 K100 R101 T105I99-N103 PolarHBondContact O-N 3.09Å; K100-N103 PolarHBondContact O-N 3.23Å; R101-N103 VanDerWaalsContact C-N 3.26Å; R101-N103 PolarHBondContact O-N 2.84Å; N103-T105 VanDerWaalsContact C-N 3.26Å; N103-T105 PolarHBondContact O-N 2.9Å
104N94.1Very high96Very high109 Ų10989 Ų8958%0.58347%0.47SS*.THydrogen-bonded Turntrans62.527.7-177.9-47.2-94000113.9I99 S102 P106I99-N104 HydrophobicContact CG2-CB 4.37Å; I99-N104 WeakPolarHBondContact CG2-OD1 3.28Å; I99-N104 PolarHBondContact O-N 3.47Å; S102-N104 PolarHBondContact O-N 2.92Å; N104-P106 VanDerWaalsContact O-CD 3.3Å; N104-P106 WeakPolarHBondContact O-CD 3.33Å
105T94.4Very high96.1Very high100 Ų10088.6 Ų88.661%0.61347%0.471SS*.PPolyproline II helixtrans-64.6121.9171.3-57.10000108.8S102 N103S102-T105 WeakPolarHBondContact O-CB 3.36Å; S102-T105 PolarHBondContact O-N 2.8Å; S102-T105 VanDerWaalsContact O-N 3.13Å; S102-T105 PolarHBondContact O-OG1 2.86Å; S102-T105 PolarHBondContact OG-N 2.76Å; N103-T105 VanDerWaalsContact C-N 3.26Å; N103-T105 PolarHBondContact O-N 2.9Å
106P91.1Very high96.2Very high114 Ų11487.8 Ų87.874%0.7447%0.467SS*.PPolyproline II helixtrans-64.7155176.3-20.433.4000111.8N104N104-P106 VanDerWaalsContact O-CD 3.3Å; N104-P106 WeakPolarHBondContact O-CD 3.33Å
107D89.8Confident96.3Very high126 Ų12687.5 Ų87.567%0.67447%0.465SS*.PPolyproline II helixtrans-70.6159.6170.1-158.97.3000111.1
108A93.3Very high96.3Very high67 Ų6785.6 Ų85.655%0.55446%0.458SS*.PPolyproline II helixtrans-76.1127.3-179.700000111.3
109N95.9Very high96.4Very high81 Ų8186.2 Ų86.243%0.43346%0.457SS..PPolyproline II helixtrans-80130.6173-64.5-28.1000110.6S138 P139 W193N109-S138 CarbonylContact C-O 3.53Å; N109-S138 WeakPolarHBondContact CA-O 3.21Å; N109-P139 WeakPolarHBondContact OD1-CD 3.17Å; N109-W193 PolarHBondContact ND2-O 2.78Å
110V98Very high96.4Very high58 Ų5886.9 Ų86.935%0.35247%0.465SS..BIsolated β-bridgetrans-118.1117.7168.7-174.70000107.4K136 F137 S138 L169 H192V110-K136 WeakPolarHBondContact CG1-O 3.28Å; V110-F137 VanDerWaalsContact O-CA 3.28Å; V110-F137 WeakPolarHBondContact O-CA 3.5Å; V110-F137 WeakPolarHBondContact O-CB 3.44Å; V110-S138 PolarHBondContact N-O 3.4Å; V110-S138 PolarHBondContact O-N 3.44Å; V110-L169 HydrophobicContact CB-CD2 4.25Å; V110-L169 HydrophobicContact CG1-CD1 4.36Å; V110-L169 HydrophobicContact CG1-CD2 4.41Å; V110-L169 HydrophobicContact CG2-CD2 4.07Å; V110-H192 PolarHBondContact O-CE1 2.69Å; V110-H192 VanDerWaalsContact O-CE1 3.22Å
111I98.1Very high96.3Very high95 Ų9584.2 Ų84.249%0.48746%0.464SS..PPolyproline II helixtrans-71.1148.4-176.757.2165.6000111.9G194 L195I111-G194 VanDerWaalsContact CG2-O 3.26Å; I111-G194 WeakPolarHBondContact CG2-O 3.43Å; I111-L195 HydrophobicContact CB-CD2 4.03Å; I111-L195 HydrophobicContact CG2-CD2 3.77Å; I111-L195 HydrophobicContact CG2-CG 4.16Å
112P98.3Very high96.2Very high7 Ų775.4 Ų75.45%0.04543%0.434CS..PPolyproline II helixtrans-74.6145.7-178.627.7-33.8000114V114 I134 D135 F137 V190 H192 L195P112-V114 HydrophobicContact CB-CG2 4.1Å; P112-V114 HydrophobicContact CG-CG2 4.32Å; P112-I134 HydrophobicContact CB-CG2 3.59Å; P112-I134 HydrophobicContact CG-CG2 4.38Å; P112-D135 WeakPolarHBondContact CA-O 3.4Å; P112-F137 HydrophobicContact CB-CB 3.82Å; P112-F137 HydrophobicContact CB-CD1 4.16Å; P112-F137 HydrophobicContact CB-CG 4.23Å; P112-V190 HydrophobicContact CG-CG1 4.14Å; P112-H192 HydrophobicContact CG-CB 4.25Å; P112-L195 HydrophobicContact CG-CD1 4.27Å
113E98.4Very high96Very high105 Ų10577.2 Ų77.249%0.49144%0.44SS..EExtended strand (participates in β ladder)trans-87.4124.7157.4-69.1178.7-161.700108.8D135 K136E113-D135 PolarHBondContact N-O 3.13Å; E113-D135 PolarHBondContact O-N 2.93Å; E113-K136 WeakPolarHBondContact OE1-CD 3.44Å; E113-K136 IonicContact OE1-NZ 3.98Å; E113-K136 PolarHBondContact OE1-NZ 2.67Å; E113-K136 IonicContact OE2-NZ 3.85Å; E113-K136 PolarHBondContact OE2-NZ 2.93Å
114V98.7Very high95.8Very high8 Ų875.1 Ų75.15%0.04843%0.428CS..EExtended strand (participates in β ladder)trans-118.8131.4-176.5-173.80000110.8P112 C132 F133 I134 V190 L199 K201P112-V114 HydrophobicContact CB-CG2 4.1Å; P112-V114 HydrophobicContact CG-CG2 4.32Å; V114-C132 VanDerWaalsContact CG1-SG 3.53Å; V114-F133 WeakPolarHBondContact CA-O 3.26Å; V114-I134 HydrophobicContact CG1-CG1 4.31Å; V114-I134 HydrophobicContact CG2-CG1 4.32Å; V114-I134 HydrophobicContact CG2-CG2 4.2Å; V114-V190 HydrophobicContact CG1-CG2 3.92Å; V114-V190 HydrophobicContact CG2-CB 4.12Å; V114-V190 HydrophobicContact CG2-CG1 4.26Å; V114-V190 HydrophobicContact CG2-CG2 3.9Å; V114-L199 HydrophobicContact CB-CD2 3.9Å; V114-L199 HydrophobicContact CG2-CD2 3.58Å; V114-L199 HydrophobicContact CG2-CG 4.45Å; V114-K201 HydrophobicContact CB-CG 3.73Å; V114-K201 HydrophobicContact CG1-CB 4.2Å; V114-K201 HydrophobicContact CG1-CG 3.59Å; V114-K201 WeakPolarHBondContact O-CD 3.39Å; V114-K201 WeakPolarHBondContact O-CE 3.18Å
115T98.5Very high95.6Very high73 Ų7372.5 Ų72.545%0.44843%0.427SS..EExtended strand (participates in β ladder)trans-129.5136.4176.2-56.60000110L117 C132 F133T115-L117 HydrophobicContact CG2-CD2 4.16Å; T115-C132 CarbonylContact O-C 3.6Å; T115-C132 WeakPolarHBondContact O-CA 3.3Å; T115-F133 PolarHBondContact N-O 3.45Å; T115-F133 PolarHBondContact O-N 2.75Å
116V98.6Very high95.7Very high22 Ų2272.9 Ų72.913%0.13342%0.422CS..EExtended strand (participates in β ladder)trans-114.4127.5173.51790000109.7L130 I131 C132 W146 C188 K201 W203V116-L130 HydrophobicContact CG1-CD2 4.48Å; V116-I131 WeakPolarHBondContact CA-O 3.04Å; V116-C132 HydrophobicContact CG2-CB 4.25Å; V116-W146 HydrophobicContact CG1-CH2 3.91Å; V116-W146 HydrophobicContact CG1-CZ3 4.17Å; V116-W146 HydrophobicContact CG2-CH2 4.37Å; V116-C188 HydrophobicContact CG2-CB 3.52Å; V116-K201 HydrophobicContact CG2-CB 3.63Å; V116-W203 HydrophobicContact CB-CB 4.35Å; V116-W203 HydrophobicContact CG1-CB 3.62Å; V116-W203 HydrophobicContact CG1-CG 4.05Å
117L97.6Very high96Very high71 Ų7173 Ų7337%0.37242%0.423SS..EExtended strand (participates in β ladder)trans-146.5148.3-179.361.396000111.8T115 I131T115-L117 HydrophobicContact CG2-CD2 4.16Å; L117-I131 HydrophobicContact CD1-CB 4.19Å; L117-I131 HydrophobicContact CD1-CD1 4.03Å; L117-I131 HydrophobicContact CD1-CG1 4.43Å; L117-I131 HydrophobicContact CG-CB 4.37Å; L117-I131 PolarHBondContact N-O 3.23Å; L117-I131 PolarHBondContact O-N 3.49Å
118P97.8Very high96.4Very high38 Ų3867.7 Ų67.725%0.24739%0.394CS..EExtended strand (participates in β ladder)trans-75.1144.2171.732.7-34000110.3S120 V122 I129 L130P118-S120 PolarHBondContact O-N 2.79Å; P118-V122 HydrophobicContact CB-CG2 3.57Å; P118-V122 HydrophobicContact CG-CG2 3.72Å; P118-I129 CarbonylContact C-O 3.56Å; P118-I129 WeakPolarHBondContact CA-O 3.43Å; P118-L130 HydrophobicContact CB-CD2 4.3Å
119K97.6Very high96.7Very high141 Ų14166.6 Ų66.661%0.61338%0.378SS*.SBendtrans-57-33.7177.8177.2178.6178.2177.40112.8I129 I131K119-I129 HydrophobicContact CB-CB 4Å; K119-I129 HydrophobicContact CD-CB 4.31Å; K119-I129 HydrophobicContact CD-CD1 3.89Å; K119-I129 PolarHBondContact N-O 3.23Å; K119-I131 HydrophobicContact CB-CD1 4.02Å; K119-I131 HydrophobicContact CB-CG1 4.42Å; K119-I131 HydrophobicContact CG-CD1 4.48Å
120S96.2Very high96.8Very high57 Ų5762.8 Ų62.840%0.39936%0.358SS..SBendtrans-145.4162.5-177.460.60000110.2P118 V122 N128P118-S120 PolarHBondContact O-N 2.79Å; S120-V122 PolarHBondContact O-N 2.79Å; S120-N128 PolarHBondContact O-ND2 3.46Å; S120-N128 PolarHBondContact OG-ND2 2.94Å; S120-N128 PolarHBondContact OG-OD1 2.88Å
121P94.8Very high96.9Very high101 Ų10161.2 Ų61.266%0.65635%0.347SS*.  trans-48.4135.8174.7-27.835.8000111.8
122V95Very high96.9Very high28 Ų2856.7 Ų56.717%0.1732%0.324CS..  trans-86.7121.1-171179.10000110.8P118 S120 P180 W203 F205P118-V122 HydrophobicContact CB-CG2 3.57Å; P118-V122 HydrophobicContact CG-CG2 3.72Å; S120-V122 PolarHBondContact O-N 2.79Å; V122-P180 HydrophobicContact CG1-CB 3.39Å; V122-P180 HydrophobicContact CG1-CG 3.58Å; V122-W203 HydrophobicContact CG2-CZ2 3.98Å; V122-F205 HydrophobicContact CB-CD2 4.03Å; V122-F205 HydrophobicContact CB-CE2 4.07Å; V122-F205 HydrophobicContact CG1-CD2 3.54Å; V122-F205 HydrophobicContact CG1-CE2 3.82Å
123N92.6Very high96.9Very high87 Ų8758.5 Ų58.547%0.46533%0.331SS..  trans-106130.9165.1-63.6-35.7000108.6G125 E126N123-G125 PolarHBondContact O-N 3.19Å; N123-E126 HydrophobicContact CB-CB 4.08Å; N123-E126 HydrophobicContact CB-CG 4.02Å; N123-E126 WeakPolarHBondContact CB-OE2 3.27Å; N123-E126 PolarHBondContact ND2-OE2 3.36Å; N123-E126 PolarHBondContact O-N 3.22Å
124L93.4Very high96.9Very high90 Ų9053.5 Ų53.547%0.47131%0.308SS..THydrogen-bonded Turntrans-63.1135178.1-66.9175.8000110.6E126 P180 T182 F205L124-E126 VanDerWaalsContact C-N 3.25Å; L124-E126 PolarHBondContact O-N 3.32Å; L124-P180 HydrophobicContact CD2-CB 4.42Å; L124-T182 HydrophobicContact CD1-CG2 3.79Å; L124-T182 HydrophobicContact CD2-CG2 4.12Å; L124-F205 HydrophobicContact CD1-CE1 4.01Å; L124-F205 HydrophobicContact CD1-CZ 4.4Å; L124-F205 HydrophobicContact CD2-CD1 3.84Å; L124-F205 HydrophobicContact CD2-CD2 4.25Å; L124-F205 HydrophobicContact CD2-CE1 3.97Å; L124-F205 HydrophobicContact CD2-CE2 4.36Å; L124-F205 HydrophobicContact CD2-CG 3.97Å; L124-F205 HydrophobicContact CD2-CZ 4.23Å; L124-F205 HydrophobicContact CG-CD1 4.45Å; L124-F205 HydrophobicContact CG-CE1 4.07Å; L124-F205 HydrophobicContact CG-CZ 4.1Å
125G90.4Very high96.9Very high53 Ų5353.9 Ų53.955%0.54631%0.31SS..THydrogen-bonded Turntrans76.40.6-179.200000115.8N123 L179 P180N123-G125 PolarHBondContact O-N 3.19Å; G125-L179 VanDerWaalsContact C-CD1 3.47Å; G125-L179 WeakPolarHBondContact O-CD1 3.13Å; G125-P180 PolarHBondContact N-O 2.74Å
126E95.9Very high96.9Very high109 Ų10953.6 Ų53.651%0.50930%0.302SS..SBendtrans-103.2131.7171.6-66.6-176.6-178.200110.8N123 L124 N128 P180N123-E126 HydrophobicContact CB-CB 4.08Å; N123-E126 HydrophobicContact CB-CG 4.02Å; N123-E126 WeakPolarHBondContact CB-OE2 3.27Å; N123-E126 PolarHBondContact ND2-OE2 3.36Å; N123-E126 PolarHBondContact O-N 3.22Å; L124-E126 VanDerWaalsContact C-N 3.25Å; L124-E126 PolarHBondContact O-N 3.32Å; E126-N128 PolarHBondContact O-N 2.91Å; E126-P180 WeakPolarHBondContact O-CD 3.32Å
127P97.9Very high96.8Very high117 Ų11752.5 Ų52.576%0.7630%0.296SS*.  trans-56.8136.7179.6-25.334.1000112.8L179P127-L179 HydrophobicContact CG-CD1 4.33Å
128N98Very high96.8Very high14 Ų1449.8 Ų49.88%0.07528%0.282CS..EExtended strand (participates in β ladder)trans-141.6176.9177.3-153.2-24.8000109.9S120 E126 F178 P180S120-N128 PolarHBondContact O-ND2 3.46Å; S120-N128 PolarHBondContact OG-ND2 2.94Å; S120-N128 PolarHBondContact OG-OD1 2.88Å; E126-N128 PolarHBondContact O-N 2.91Å; N128-F178 HydrophobicContact CB-CD1 4.35Å; N128-F178 HydrophobicContact CB-CE1 3.66Å; N128-F178 HydrophobicContact CB-CZ 4.18Å; N128-F178 PolarHBondContact N-O 2.65Å; N128-F178 VanDerWaalsContact O-CD1 3.27Å; N128-F178 WeakPolarHBondContact O-CD1 3.43Å; N128-F178 PolarHBondContact O-N 2.98Å; N128-P180 HydrophobicContact CB-CG 4.05Å
129I98.5Very high96.6Very high44 Ų4448.2 Ų48.223%0.22627%0.273CS..EExtended strand (participates in β ladder)trans-125.4122.7-179.5-61.9171000108.1P118 K119 I131 Y175 L176 T177P118-I129 CarbonylContact C-O 3.56Å; P118-I129 WeakPolarHBondContact CA-O 3.43Å; K119-I129 HydrophobicContact CB-CB 4Å; K119-I129 HydrophobicContact CD-CB 4.31Å; K119-I129 HydrophobicContact CD-CD1 3.89Å; K119-I129 PolarHBondContact N-O 3.23Å; I129-I131 HydrophobicContact CG2-CG1 4.42Å; I129-Y175 HydrophobicContact CG2-CD1 4.08Å; I129-L176 WeakPolarHBondContact CA-O 3.45Å; I129-T177 HydrophobicContact CG1-CG2 4.17Å
130L98.6Very high96.5Very high0 Ų041.9 Ų41.90%025%0.246CC..EExtended strand (participates in β ladder)trans-80.7137.2164.3-68.3177.1000109.2V116 P118 W146 Y175 L176 F178 Y186 W203V116-L130 HydrophobicContact CG1-CD2 4.48Å; P118-L130 HydrophobicContact CB-CD2 4.3Å; L130-W146 HydrophobicContact CB-CH2 3.68Å; L130-W146 HydrophobicContact CB-CZ2 4.24Å; L130-W146 HydrophobicContact CB-CZ3 4.18Å; L130-W146 HydrophobicContact CD1-CH2 4.45Å; L130-W146 HydrophobicContact CD1-CZ3 4.11Å; L130-Y175 CarbonylContact O-C 3.58Å; L130-Y175 VanDerWaalsContact O-CA 3.32Å; L130-Y175 WeakPolarHBondContact O-CA 2.97Å; L130-L176 HydrophobicContact CB-CB 4.44Å; L130-L176 PolarHBondContact N-O 2.7Å; L130-L176 PolarHBondContact O-N 2.95Å; L130-F178 HydrophobicContact CB-CD1 4.49Å; L130-F178 HydrophobicContact CB-CE1 4.4Å; L130-F178 HydrophobicContact CD1-CD1 4.44Å; L130-F178 HydrophobicContact CD1-CE1 4.39Å; L130-F178 HydrophobicContact CD1-CE2 4.44Å; L130-F178 HydrophobicContact CD1-CZ 4.37Å; L130-F178 HydrophobicContact CD2-CE1 3.8Å; L130-F178 HydrophobicContact CD2-CE2 4.47Å; L130-F178 HydrophobicContact CD2-CZ 3.72Å; L130-F178 HydrophobicContact CG-CD1 3.78Å; L130-F178 HydrophobicContact CG-CE1 3.49Å; L130-F178 VanDerWaalsContact CG-CE1 3.49Å; L130-F178 HydrophobicContact CG-CE2 4.3Å; L130-F178 HydrophobicContact CG-CG 4.32Å; L130-F178 HydrophobicContact CG-CZ 3.76Å; L130-Y186 HydrophobicContact CD1-CD1 4.24Å; L130-Y186 HydrophobicContact CD1-CD2 4.05Å; L130-Y186 HydrophobicContact CD1-CG 3.67Å; L130-W203 HydrophobicContact CD1-CD2 4.06Å; L130-W203 HydrophobicContact CD1-CE3 3.71Å; L130-W203 HydrophobicContact CD1-CG 4.42Å; L130-W203 HydrophobicContact CD1-CZ3 4.35Å; L130-W203 HydrophobicContact CD2-CD2 3.43Å; L130-W203 VanDerWaalsContact CD2-CD2 3.43Å; L130-W203 HydrophobicContact CD2-CE3 3.77Å; L130-W203 HydrophobicContact CD2-CG 3.8Å; L130-W203 HydrophobicContact CD2-CH2 4.42Å; L130-W203 HydrophobicContact CD2-CZ2 4.12Å; L130-W203 HydrophobicContact CD2-CZ3 4.25Å; L130-W203 HydrophobicContact CG-CD2 4.39Å; L130-W203 HydrophobicContact CG-CE3 4.33Å
131I98.7Very high96.5Very high26 Ų2639.8 Ų39.813%0.13323%0.232CC..EExtended strand (participates in β ladder)trans-115116.3177.3-51.2179.2000106.6V116 L117 K119 I129 F173 Y175V116-I131 WeakPolarHBondContact CA-O 3.04Å; L117-I131 HydrophobicContact CD1-CB 4.19Å; L117-I131 HydrophobicContact CD1-CD1 4.03Å; L117-I131 HydrophobicContact CD1-CG1 4.43Å; L117-I131 HydrophobicContact CG-CB 4.37Å; L117-I131 PolarHBondContact N-O 3.23Å; L117-I131 PolarHBondContact O-N 3.49Å; K119-I131 HydrophobicContact CB-CD1 4.02Å; K119-I131 HydrophobicContact CB-CG1 4.42Å; K119-I131 HydrophobicContact CG-CD1 4.48Å; I129-I131 HydrophobicContact CG2-CG1 4.42Å; I131-F173 HydrophobicContact CG2-CD1 3.88Å; I131-Y175 HydrophobicContact CB-CD1 4.43Å; I131-Y175 HydrophobicContact CD1-CE1 4.37Å; I131-Y175 HydrophobicContact CG1-CD1 3.97Å; I131-Y175 HydrophobicContact CG1-CE1 4.08Å; I131-Y175 HydrophobicContact CG2-CD1 4.22Å; I131-Y175 HydrophobicContact CG2-CE1 3.92Å
132C98.8Very high96.5Very high0 Ų035.6 Ų35.60%020%0.204CC..EExtended strand (participates in β ladder)trans-93.5105.6164.9-172.90000107.8V114 T115 V116 W146 H174 C188V114-C132 VanDerWaalsContact CG1-SG 3.53Å; T115-C132 CarbonylContact O-C 3.6Å; T115-C132 WeakPolarHBondContact O-CA 3.3Å; V116-C132 HydrophobicContact CG2-CB 4.25Å; C132-W146 HydrophobicContact CB-CH2 3.72Å; C132-W146 HydrophobicContact CB-CZ2 3.44Å; C132-W146 VanDerWaalsContact CB-CZ2 3.44Å; C132-H174 HydrophobicContact CB-CB 4.03Å; C132-H174 PolarHBondContact N-O 3.03Å; C132-H174 PolarHBondContact O-N 3.4Å; C132-C188 HydrophobicContact CB-CB 3.65Å; C132-C188 WeakPolarHBondContact CB-SG 3.45Å; C132-C188 WeakPolarHBondContact SG-CB 3.49Å; C132-C188 CovalentContact SG-SG 2.03Å; C132-C188 PolarHBondContact SG-SG 2.85Å
133F98.7Very high96.6Very high45 Ų4539.6 Ų39.620%0.19723%0.225CC..EExtended strand (participates in β ladder)trans-93.2117.6176.1178.6-133.4000109.1V114 T115 D135 R171 F173V114-F133 WeakPolarHBondContact CA-O 3.26Å; T115-F133 PolarHBondContact N-O 3.45Å; T115-F133 PolarHBondContact O-N 2.75Å; F133-D135 HydrophobicContact CD1-CB 4.33Å; F133-D135 HydrophobicContact CE1-CB 3.71Å; F133-D135 HydrophobicContact CE2-CB 4.1Å; F133-D135 HydrophobicContact CZ-CB 3.59Å; F133-D135 WeakPolarHBondContact CZ-OD2 3.47Å; F133-R171 HydrophobicContact CE2-CB 4.02Å; F133-R171 HydrophobicContact CE2-CG 4.44Å; F133-F173 HydrophobicContact CB-CD1 4.24Å; F133-F173 HydrophobicContact CB-CE1 4.2Å; F133-F173 AromaticContact CD2-CD1 3.6Å; F133-F173 HydrophobicContact CD2-CD1 3.6Å; F133-F173 AromaticContact CD2-CE1 3.14Å; F133-F173 HydrophobicContact CD2-CE1 3.14Å; F133-F173 HydrophobicContact CD2-CE2 4.15Å; F133-F173 HydrophobicContact CD2-CG 4.28Å; F133-F173 AromaticContact CD2-CZ 3.46Å; F133-F173 HydrophobicContact CD2-CZ 3.46Å; F133-F173 VanDerWaalsContact CD2-CZ 3.46Å; F133-F173 HydrophobicContact CE2-CD1 4.38Å; F133-F173 AromaticContact CE2-CE1 3.62Å; F133-F173 HydrophobicContact CE2-CE1 3.62Å; F133-F173 HydrophobicContact CE2-CE2 4Å; F133-F173 AromaticContact CE2-CZ 3.39Å; F133-F173 HydrophobicContact CE2-CZ 3.39Å; F133-F173 HydrophobicContact CG-CD1 4.28Å; F133-F173 AromaticContact CG-CE1 3.84Å; F133-F173 HydrophobicContact CG-CE1 3.84Å; F133-F173 HydrophobicContact CG-CZ 4.46Å; F133-F173 HydrophobicContact CZ-CZ 4.36Å
134I98.7Very high96.9Very high0 Ų036.6 Ų36.60%021%0.209CC..EExtended strand (participates in β ladder)trans-113.5116-176.8-53.8167.8000106P112 V114 F137 V142 V144 R171 K172 V190P112-I134 HydrophobicContact CB-CG2 3.59Å; P112-I134 HydrophobicContact CG-CG2 4.38Å; V114-I134 HydrophobicContact CG1-CG1 4.31Å; V114-I134 HydrophobicContact CG2-CG1 4.32Å; V114-I134 HydrophobicContact CG2-CG2 4.2Å; I134-F137 HydrophobicContact CB-CE1 4.28Å; I134-F137 HydrophobicContact CG2-CD1 3.79Å; I134-F137 HydrophobicContact CG2-CE1 3.67Å; I134-F137 HydrophobicContact CG2-CZ 4.46Å; I134-V142 HydrophobicContact CG2-CG1 4.49Å; I134-V144 HydrophobicContact CD1-CB 4.4Å; I134-V144 HydrophobicContact CD1-CG1 4.19Å; I134-V144 HydrophobicContact CD1-CG2 3.29Å; I134-R171 CarbonylContact O-C 3.6Å; I134-R171 VanDerWaalsContact O-CA 3.22Å; I134-R171 WeakPolarHBondContact O-CA 3.32Å; I134-K172 PolarHBondContact N-O 2.94Å; I134-K172 PolarHBondContact O-N 2.81Å; I134-V190 HydrophobicContact CD1-CG1 4.12Å; I134-V190 HydrophobicContact CD1-CG2 3.69Å; I134-V190 HydrophobicContact CG1-CG2 3.96Å; I134-V190 HydrophobicContact CG2-CG1 4.13Å
135D98.2Very high97.1Very high16 Ų1635 Ų359%0.08620%0.204CC..EExtended strand (participates in β ladder)trans-131.1157.5-166.4-160.119.7000112.3P112 E113 F133 F137 R165 R171P112-D135 WeakPolarHBondContact CA-O 3.4Å; E113-D135 PolarHBondContact N-O 3.13Å; E113-D135 PolarHBondContact O-N 2.93Å; F133-D135 HydrophobicContact CD1-CB 4.33Å; F133-D135 HydrophobicContact CE1-CB 3.71Å; F133-D135 HydrophobicContact CE2-CB 4.1Å; F133-D135 HydrophobicContact CZ-CB 3.59Å; F133-D135 WeakPolarHBondContact CZ-OD2 3.47Å; D135-F137 PolarHBondContact O-N 3.25Å; D135-R165 WeakPolarHBondContact OD1-CD 3.34Å; D135-R165 IonicContact OD1-CZ 3.64Å; D135-R165 IonicContact OD1-NE 3.69Å; D135-R165 IonicContact OD1-NH1 2.67Å; D135-R165 PolarHBondContact OD1-NH1 2.77Å; D135-R165 IonicContact OD2-CZ 2.71Å; D135-R165 IonicContact OD2-NH1 3.12Å; D135-R165 PolarHBondContact OD2-NH1 3.43Å; D135-R171 VanDerWaalsContact OD1-CB 3.27Å; D135-R171 WeakPolarHBondContact OD1-CB 3.23Å
136K97.9Very high97.5Very high66 Ų6632.6 Ų32.629%0.28718%0.178SC..EExtended strand (participates in β ladder)trans54.844.8172.3-53.1178-167.8153.70115.2V110 E113 L169 F170V110-K136 WeakPolarHBondContact CG1-O 3.28Å; E113-K136 WeakPolarHBondContact OE1-CD 3.44Å; E113-K136 IonicContact OE1-NZ 3.98Å; E113-K136 PolarHBondContact OE1-NZ 2.67Å; E113-K136 IonicContact OE2-NZ 3.85Å; E113-K136 PolarHBondContact OE2-NZ 2.93Å; K136-L169 HydrophobicContact CB-CD1 3.98Å; K136-F170 PolarHBondContact N-O 2.99Å
137F97.8Very high97.6Very high0 Ų027.9 Ų27.90%016%0.156CC..EExtended strand (participates in β ladder)trans-114.4156.9177.963.6-84.3000113.2V110 P112 I134 D135 P139 V142 F162 F170 K172V110-F137 VanDerWaalsContact O-CA 3.28Å; V110-F137 WeakPolarHBondContact O-CA 3.5Å; V110-F137 WeakPolarHBondContact O-CB 3.44Å; P112-F137 HydrophobicContact CB-CB 3.82Å; P112-F137 HydrophobicContact CB-CD1 4.16Å; P112-F137 HydrophobicContact CB-CG 4.23Å; I134-F137 HydrophobicContact CB-CE1 4.28Å; I134-F137 HydrophobicContact CG2-CD1 3.79Å; I134-F137 HydrophobicContact CG2-CE1 3.67Å; I134-F137 HydrophobicContact CG2-CZ 4.46Å; D135-F137 PolarHBondContact O-N 3.25Å; F137-P139 WeakPolarHBondContact CD2-O 3.34Å; F137-V142 HydrophobicContact CD2-CG1 3.7Å; F137-V142 HydrophobicContact CE2-CG1 3.54Å; F137-V142 HydrophobicContact CE2-CG2 4.35Å; F137-V142 HydrophobicContact CG-CG1 4.28Å; F137-V142 HydrophobicContact CZ-CG1 4.01Å; F137-V142 HydrophobicContact CZ-CG2 4.24Å; F137-F162 AromaticContact CE2-CD1 3.75Å; F137-F162 HydrophobicContact CE2-CD1 3.75Å; F137-F162 AromaticContact CE2-CE1 3.73Å; F137-F162 HydrophobicContact CE2-CE1 3.73Å; F137-F162 AromaticContact CZ-CD1 3.71Å; F137-F162 HydrophobicContact CZ-CD1 3.71Å; F137-F162 AromaticContact CZ-CE1 3.93Å; F137-F162 HydrophobicContact CZ-CE1 3.93Å; F137-F170 VanDerWaalsContact CD1-O 3.23Å; F137-F170 WeakPolarHBondContact CD1-O 3.46Å; F137-F170 HydrophobicContact CD2-CB 4.3Å; F137-F170 HydrophobicContact CE1-CB 4.27Å; F137-F170 WeakPolarHBondContact CE1-O 3.2Å; F137-F170 HydrophobicContact CE2-CB 3.94Å; F137-F170 HydrophobicContact CZ-CB 3.92Å; F137-F170 PolarHBondContact N-O 3.12Å; F137-F170 PolarHBondContact O-N 2.84Å; F137-K172 HydrophobicContact CE1-CB 4.29Å; F137-K172 HydrophobicContact CZ-CB 4.06Å
138S96.7Very high97.7Very high13 Ų1327.4 Ų27.49%0.09114%0.139CC..BIsolated β-bridgetrans-153.2142.6170.3-175.70000109N109 V110 H192N109-S138 CarbonylContact C-O 3.53Å; N109-S138 WeakPolarHBondContact CA-O 3.21Å; V110-S138 PolarHBondContact N-O 3.4Å; V110-S138 PolarHBondContact O-N 3.44Å; S138-H192 PolarHBondContact O-CE1 2.89Å; S138-H192 PolarHBondContact O-NE2 3.21Å
139P95.1Very high97.7Very high6 Ų629.7 Ų29.74%0.03915%0.151CC..SBendcis-69.6170.6-5.228.3-32.9000112.3L39 N109 F137 A141 H192 W193L39-P139 HydrophobicContact CD2-CB 4.06Å; N109-P139 WeakPolarHBondContact OD1-CD 3.17Å; F137-P139 WeakPolarHBondContact CD2-O 3.34Å; P139-A141 HydrophobicContact CG-CB 4.39Å; P139-A141 PolarHBondContact O-N 2.85Å; P139-H192 PolarHBondContact O-NE2 3.08Å; P139-H192 VanDerWaalsContact O-NE2 3.16Å; P139-W193 HydrophobicContact CB-CZ3 4.41Å; P139-W193 HydrophobicContact CG-CD2 3.97Å; P139-W193 HydrophobicContact CG-CE3 3.28Å; P139-W193 HydrophobicContact CG-CH2 4.43Å; P139-W193 HydrophobicContact CG-CZ3 3.55Å
140P95.4Very high97.6Very high8 Ų829.1 Ų29.15%0.05216%0.156CC..SBendtrans-72.164.6174.628.1-30.8000111.7F37 L39 F162 F170F37-P140 HydrophobicContact CD1-CG 4.16Å; F37-P140 HydrophobicContact CD2-CG 3.68Å; F37-P140 HydrophobicContact CE1-CB 4.11Å; F37-P140 HydrophobicContact CE1-CG 3.97Å; F37-P140 HydrophobicContact CE2-CB 3.99Å; F37-P140 HydrophobicContact CE2-CG 3.47Å; F37-P140 VanDerWaalsContact CE2-CG 3.47Å; F37-P140 HydrophobicContact CG-CG 4.02Å; F37-P140 HydrophobicContact CZ-CB 3.7Å; F37-P140 HydrophobicContact CZ-CG 3.62Å; L39-P140 HydrophobicContact CD1-CG 4Å; L39-P140 WeakPolarHBondContact CD1-O 3.45Å; L39-P140 HydrophobicContact CD2-CG 4.49Å; L39-P140 HydrophobicContact CG-CG 4.49Å; P140-F162 HydrophobicContact CB-CB 3.96Å; P140-F162 HydrophobicContact CB-CD1 3.53Å; P140-F162 HydrophobicContact CB-CD2 4.28Å; P140-F162 HydrophobicContact CB-CE1 4.01Å; P140-F162 HydrophobicContact CB-CG 3.67Å; P140-F162 VanDerWaalsContact O-CE1 3.32Å; P140-F162 WeakPolarHBondContact O-CE1 3.44Å; P140-F162 WeakPolarHBondContact O-CE2 3.42Å; P140-F162 WeakPolarHBondContact O-CZ 3.46Å; P140-F170 HydrophobicContact CB-CB 4.32Å; P140-F170 HydrophobicContact CB-CD1 3.71Å; P140-F170 HydrophobicContact CB-CD2 3.85Å; P140-F170 HydrophobicContact CB-CE1 3.89Å; P140-F170 HydrophobicContact CB-CE2 4.07Å; P140-F170 HydrophobicContact CB-CG 3.67Å; P140-F170 HydrophobicContact CB-CZ 4.07Å; P140-F170 VanDerWaalsContact CD-CE2 3.48Å; P140-F170 HydrophobicContact CG-CD1 4.17Å; P140-F170 HydrophobicContact CG-CD2 4Å; P140-F170 HydrophobicContact CG-CE1 3.84Å; P140-F170 HydrophobicContact CG-CE2 3.71Å; P140-F170 HydrophobicContact CG-CG 4.24Å; P140-F170 HydrophobicContact CG-CZ 3.6Å
141A94.4Very high97.6Very high13 Ų1335.5 Ų35.511%0.10719%0.186CC..  trans-138.588.9-178.500000109.7L39 P139 H192 W193L39-A141 HydrophobicContact CD1-CB 4.3Å; P139-A141 HydrophobicContact CG-CB 4.39Å; P139-A141 PolarHBondContact O-N 2.85Å; A141-H192 PolarHBondContact O-CD2 2.84Å; A141-W193 HydrophobicContact CB-CD2 4.08Å; A141-W193 HydrophobicContact CB-CG 4.48Å; A141-W193 HydrophobicContact CB-CH2 4.39Å; A141-W193 HydrophobicContact CB-CZ2 3.76Å
142V96.2Very high97.6Very high13 Ų1338.5 Ų38.58%0.07921%0.207CC..EExtended strand (participates in β ladder)trans-124.8143.9174.8-59.90000111.2I134 F137 V144 F162 K172 V190 D191 H192I134-V142 HydrophobicContact CG2-CG1 4.49Å; F137-V142 HydrophobicContact CD2-CG1 3.7Å; F137-V142 HydrophobicContact CE2-CG1 3.54Å; F137-V142 HydrophobicContact CE2-CG2 4.35Å; F137-V142 HydrophobicContact CG-CG1 4.28Å; F137-V142 HydrophobicContact CZ-CG1 4.01Å; F137-V142 HydrophobicContact CZ-CG2 4.24Å; V142-V144 HydrophobicContact CG2-CG2 4.1Å; V142-F162 HydrophobicContact CG2-CE1 3.87Å; V142-F162 HydrophobicContact CG2-CZ 4.35Å; V142-K172 HydrophobicContact CG2-CD 3.69Å; V142-V190 HydrophobicContact CB-CG1 4.41Å; V142-V190 HydrophobicContact CG1-CG1 4.46Å; V142-D191 CarbonylContact C-O 3.57Å; V142-D191 VanDerWaalsContact CA-O 3.26Å; V142-D191 WeakPolarHBondContact CA-O 3.44Å; V142-H192 HydrophobicContact CG1-CB 4.18Å
143N96.8Very high97.5Very high112 Ų11240.4 Ų40.460%0.59922%0.219SC*.EExtended strand (participates in β ladder)trans-111.9130.1167.4-68.3-34.9000108.6D191N143-D191 HydrophobicContact CB-CB 4.29Å; N143-D191 PolarHBondContact N-O 2.84Å; N143-D191 PolarHBondContact O-N 3.43Å
144V98.4Very high97.5Very high23 Ų2344.3 Ų44.314%0.13925%0.246CC..EExtended strand (participates in β ladder)trans-123.2126.4-174.6-168.90000110.3I134 V142 H174 C188 E189 V190I134-V144 HydrophobicContact CD1-CB 4.4Å; I134-V144 HydrophobicContact CD1-CG1 4.19Å; I134-V144 HydrophobicContact CD1-CG2 3.29Å; V142-V144 HydrophobicContact CG2-CG2 4.1Å; V144-H174 HydrophobicContact CG1-CB 3.9Å; V144-H174 VanDerWaalsContact CG1-ND1 3.27Å; V144-H174 WeakPolarHBondContact CG1-ND1 3.34Å; V144-H174 PolarHBondContact O-CE1 3.46Å; V144-C188 VanDerWaalsContact CG1-SG 3.53Å; V144-E189 CarbonylContact C-O 3.52Å; V144-E189 WeakPolarHBondContact CA-O 3.46Å; V144-V190 HydrophobicContact CG1-CG2 4.22Å; V144-V190 HydrophobicContact CG2-CG2 4.47Å
145T98.5Very high97.5Very high57 Ų5753.4 Ų53.435%0.3529%0.286SS..EExtended strand (participates in β ladder)trans-122129177.3-57.50000109.9L147 P152 E189T145-L147 HydrophobicContact CG2-CD2 3.93Å; T145-P152 HydrophobicContact CG2-CB 4.34Å; T145-E189 PolarHBondContact N-O 2.03Å; T145-E189 PolarHBondContact O-N 2.9Å
146W98.7Very high97.4Very high3 Ų354 Ų541%0.01130%0.296CS..EExtended strand (participates in β ladder)trans-88.9134.3169-78.2108.3000110.3V116 L130 C132 P152 V153 V157 H174 Y175 L176 D187 C188V116-W146 HydrophobicContact CG1-CH2 3.91Å; V116-W146 HydrophobicContact CG1-CZ3 4.17Å; V116-W146 HydrophobicContact CG2-CH2 4.37Å; L130-W146 HydrophobicContact CB-CH2 3.68Å; L130-W146 HydrophobicContact CB-CZ2 4.24Å; L130-W146 HydrophobicContact CB-CZ3 4.18Å; L130-W146 HydrophobicContact CD1-CH2 4.45Å; L130-W146 HydrophobicContact CD1-CZ3 4.11Å; C132-W146 HydrophobicContact CB-CH2 3.72Å; C132-W146 HydrophobicContact CB-CZ2 3.44Å; C132-W146 VanDerWaalsContact CB-CZ2 3.44Å; W146-P152 WeakPolarHBondContact O-CA 3.43Å; W146-V153 HydrophobicContact CB-CG2 3.72Å; W146-V153 PolarHBondContact O-N 2.74Å; W146-V157 HydrophobicContact CB-CG2 4.41Å; W146-V157 HydrophobicContact CG-CG2 4.41Å; W146-H174 AromaticContact CD1-ND1 3.34Å; W146-H174 VanDerWaalsContact CD1-ND1 3.34Å; W146-H174 AromaticContact NE1-CG 3.85Å; W146-H174 AromaticContact NE1-ND1 3.2Å; W146-H174 PolarHBondContact NE1-ND1 3.35Å; W146-Y175 PolarHBondContact NE1-O 2.79Å; W146-L176 HydrophobicContact CB-CD2 4.15Å; W146-L176 HydrophobicContact CD2-CB 3.81Å; W146-L176 HydrophobicContact CD2-CD2 3.96Å; W146-L176 HydrophobicContact CD2-CG 4.46Å; W146-L176 HydrophobicContact CE3-CB 4.38Å; W146-L176 HydrophobicContact CE3-CD2 3.95Å; W146-L176 HydrophobicContact CG-CB 4Å; W146-L176 HydrophobicContact CG-CD2 4.07Å; W146-L176 HydrophobicContact CG-CG 4.44Å; W146-L176 HydrophobicContact CZ2-CB 4.1Å; W146-D187 WeakPolarHBondContact CA-O 3.39Å; W146-C188 HydrophobicContact CE3-CB 4.05Å; W146-C188 HydrophobicContact CH2-CB 3.93Å; W146-C188 HydrophobicContact CZ2-CB 4.4Å; W146-C188 HydrophobicContact CZ3-CB 3.73Å
147L98.6Very high97.5Very high9 Ų953 Ų535%0.04730%0.295CS..EExtended strand (participates in β ladder)trans-115.8138.5173.5-50.1176.1000109.5T145 Q151 P152 Y186 D187T145-L147 HydrophobicContact CG2-CD2 3.93Å; L147-Q151 CarbonylContact C-O 3.54Å; L147-Q151 WeakPolarHBondContact CA-O 3.46Å; L147-P152 HydrophobicContact CD2-CB 4.26Å; L147-P152 HydrophobicContact CD2-CG 3.96Å; L147-Y186 CarbonylContact O-C 3.53Å; L147-Y186 VanDerWaalsContact O-CA 3.23Å; L147-Y186 WeakPolarHBondContact O-CA 3.44Å; L147-D187 HydrophobicContact CB-CB 4.15Å; L147-D187 HydrophobicContact CD1-CB 4.28Å; L147-D187 HydrophobicContact CG-CB 4.49Å; L147-D187 PolarHBondContact N-O 3.2Å; L147-D187 PolarHBondContact O-N 2.83Å
148R98.2Very high97.5Very high108 Ų10856 Ų5641%0.40832%0.316SS..EExtended strand (participates in β ladder)trans-115.5119.5165.6178.8-175.6175.9176.45.5108G150 Q151 V153 D184 Y185 Y186R148-G150 PolarHBondContact O-N 2.95Å; R148-Q151 PolarHBondContact N-O 2.77Å; R148-Q151 PolarHBondContact O-N 2.78Å; R148-V153 HydrophobicContact CB-CG1 3.74Å; R148-D184 IonicContact CZ-OD1 3.75Å; R148-D184 IonicContact CZ-OD2 3.89Å; R148-D184 IonicContact NE-OD1 3.51Å; R148-D184 PolarHBondContact NE-OD1 2.7Å; R148-D184 IonicContact NE-OD2 2.69Å; R148-D184 VanDerWaalsContact NH2-CG 3.25Å; R148-D184 IonicContact NH2-OD1 2.7Å; R148-D184 PolarHBondContact NH2-OD1 2.65Å; R148-D184 VanDerWaalsContact NH2-OD1 3.14Å; R148-D184 IonicContact NH2-OD2 2.74Å; R148-D184 PolarHBondContact NH2-OD2 2.96Å; R148-Y185 WeakPolarHBondContact CA-O 3.48Å; R148-Y186 HydrophobicContact CB-CD1 4.05Å; R148-Y186 HydrophobicContact CB-CE1 3.94Å; R148-Y186 HydrophobicContact CG-CD1 4.22Å; R148-Y186 HydrophobicContact CG-CE1 3.75Å
149N97.8Very high97.5Very high61 Ų6160.4 Ų60.433%0.32634%0.336SS..THydrogen-bonded Turntrans50.141.6-174.4-53.7-31.1000112.8Q151 D184 Y185N149-Q151 PolarHBondContact O-N 2.91Å; N149-D184 PolarHBondContact ND2-OD1 2.65Å; N149-D184 WeakPolarHBondContact OD1-CA 3.4Å; N149-Y185 VanDerWaalsContact CA-CZ 3.49Å; N149-Y185 HydrophobicContact CB-CE1 4.24Å; N149-Y185 PolarHBondContact N-O 2.86Å; N149-Y185 WeakPolarHBondContact OD1-CD1 3.36Å; N149-Y185 PolarHBondContact OD1-N 2.8Å; N149-Y185 PolarHBondContact OD1-O 2.81Å
150G97.6Very high97.6Very high32 Ų3260.6 Ų60.633%0.3334%0.336SS..THydrogen-bonded Turntrans73.90.4-177.400000116.1R148R148-G150 PolarHBondContact O-N 2.95Å
151Q98.4Very high97.6Very high135 Ų13560.7 Ų60.763%0.63134%0.337SS*.EExtended strand (participates in β ladder)trans-100.8133.7176.6-64.4-60.2-48.800111.4L147 R148 N149 V153L147-Q151 CarbonylContact C-O 3.54Å; L147-Q151 WeakPolarHBondContact CA-O 3.46Å; R148-Q151 PolarHBondContact N-O 2.77Å; R148-Q151 PolarHBondContact O-N 2.78Å; N149-Q151 PolarHBondContact O-N 2.91Å; Q151-V153 PolarHBondContact O-N 3.01Å
152P98.4Very high97.7Very high89 Ų8961.5 Ų61.558%0.57834%0.338SS*.EExtended strand (participates in β ladder)trans-59.1135178.1-24.433.8000113.3T145 W146 L147T145-P152 HydrophobicContact CG2-CB 4.34Å; W146-P152 WeakPolarHBondContact O-CA 3.43Å; L147-P152 HydrophobicContact CD2-CB 4.26Å; L147-P152 HydrophobicContact CD2-CG 3.96Å
153V98Very high97.7Very high39 Ų3961.2 Ų61.224%0.23634%0.336CS..EExtended strand (participates in β ladder)trans-124.2132.6174.2-64.70000110.8W146 R148 Q151 L176W146-V153 HydrophobicContact CB-CG2 3.72Å; W146-V153 PolarHBondContact O-N 2.74Å; R148-V153 HydrophobicContact CB-CG1 3.74Å; Q151-V153 PolarHBondContact O-N 3.01Å; V153-L176 HydrophobicContact CG2-CD1 3.98Å; V153-L176 HydrophobicContact CG2-CD2 4.09Å
154T97.7Very high97.6Very high127 Ų12757.2 Ų57.278%0.77932%0.316SS*.  trans-118.8-22-179.955.40000112.6G156 V157T154-G156 PolarHBondContact O-N 3.06Å; T154-V157 WeakPolarHBondContact O-CB 3.36Å; T154-V157 PolarHBondContact O-N 3.35Å
155K98.1Very high97.4Very high191 Ų19159.3 Ų59.383%0.8332%0.322SS*.THydrogen-bonded Turntrans-70.8130.1178.7-175.2179.4178.8-177.70109.9V157K155-V157 PolarHBondContact O-N 2.97Å
156G97.7Very high97.1Very high29 Ų2966 Ų6630%0.29935%0.349SS..THydrogen-bonded Turntrans78.88.3178.300000114T154 T177T154-G156 PolarHBondContact O-N 3.06Å; G156-T177 WeakPolarHBondContact CA-OG1 3.26Å; G156-T177 PolarHBondContact O-N 2.83Å; G156-T177 PolarHBondContact O-OG1 3.31Å
157V98.6Very high96.9Very high44 Ų4469.3 Ų69.327%0.26737%0.367SS..EExtended strand (participates in β ladder)trans-83.1138.3173.2177.80000109.9W146 T154 K155 H174 Y175 L176W146-V157 HydrophobicContact CB-CG2 4.41Å; W146-V157 HydrophobicContact CG-CG2 4.41Å; T154-V157 WeakPolarHBondContact O-CB 3.36Å; T154-V157 PolarHBondContact O-N 3.35Å; K155-V157 PolarHBondContact O-N 2.97Å; V157-H174 VanDerWaalsContact CG1-CE1 3.44Å; V157-H174 WeakPolarHBondContact CG1-CE1 3.11Å; V157-Y175 VanDerWaalsContact CA-O 3.26Å; V157-Y175 WeakPolarHBondContact CA-O 3.44Å; V157-L176 HydrophobicContact CG2-CD1 3.72Å
158S97.5Very high96.6Very high63 Ų6376.9 Ų76.944%0.44140%0.402SS..EExtended strand (participates in β ladder)trans-147.5165.2169.562.10000110.5Y175S158-Y175 PolarHBondContact N-O 2.86Å; S158-Y175 VanDerWaalsContact N-O 3.13Å; S158-Y175 PolarHBondContact O-N 3.11Å
159E97.2Very high96.6Very high107 Ų10773.4 Ų73.450%0.539%0.391SS..EExtended strand (participates in β ladder)trans-146.1162.3-173.669.3-177.1135.900112.6K172 F173 H174E159-K172 WeakPolarHBondContact OE2-CE 3.39Å; E159-K172 IonicContact OE2-NZ 3.5Å; E159-K172 PolarHBondContact OE2-NZ 3.09Å; E159-F173 WeakPolarHBondContact CA-O 3.49Å; E159-H174 WeakPolarHBondContact CB-CD2 3.26Å; E159-H174 IonicContact OE2-NE2 3.59Å
160T96.6Very high96.5Very high9 Ų972 Ų726%0.05538%0.382CS..  trans-92.5167.316663.40000110.9K172 F173 Y175T160-K172 PolarHBondContact O-NZ 3.02Å; T160-F173 HydrophobicContact CG2-CB 3.89Å; T160-F173 HydrophobicContact CG2-CD2 4.16Å; T160-F173 HydrophobicContact CG2-CG 4.48Å; T160-F173 PolarHBondContact N-O 3.25Å; T160-F173 PolarHBondContact OG1-N 2.97Å; T160-Y175 HydrophobicContact CG2-CE2 4.03Å
161V96Very high96.5Very high11 Ų1173.4 Ų73.47%0.06738%0.377CS..  trans-62.4176.5158.5-65.20000112.1E46 M48 E55 H58 L163E46-V161 HydrophobicContact CG-CB 4.49Å; E46-V161 WeakPolarHBondContact OE1-CB 2.9Å; E46-V161 WeakPolarHBondContact OE2-CB 3.32Å; M48-V161 HydrophobicContact SD-CG2 3.82Å; E55-V161 HydrophobicContact CG-CG2 4.22Å; H58-V161 HydrophobicContact CB-CG1 3.7Å; H58-V161 VanDerWaalsContact CG-CG1 3.41Å; H58-V161 WeakPolarHBondContact ND1-CG1 3.37Å; V161-L163 HydrophobicContact CG2-CD2 4.04Å; V161-L163 PolarHBondContact O-N 3.37Å
162F96.5Very high96.5Very high29 Ų2967.5 Ų67.513%0.12735%0.35CS..  trans-77.5113.3171.1-64.3-89.9000109.5F37 E46 F137 P140 V142 F170 K172F37-F162 HydrophobicContact CE1-CB 3.94Å; F37-F162 HydrophobicContact CZ-CB 3.97Å; F37-F162 AromaticContact CZ-CD2 3.79Å; F37-F162 HydrophobicContact CZ-CD2 3.79Å; F37-F162 HydrophobicContact CZ-CG 4.08Å; E46-F162 WeakPolarHBondContact OE1-CA 3.48Å; E46-F162 WeakPolarHBondContact OE1-CB 3.31Å; E46-F162 PolarHBondContact OE1-N 2.98Å; E46-F162 VanDerWaalsContact OE1-O 3.14Å; E46-F162 WeakPolarHBondContact OE2-CD2 3.46Å; E46-F162 PolarHBondContact OE2-N 3.29Å; F137-F162 AromaticContact CE2-CD1 3.75Å; F137-F162 HydrophobicContact CE2-CD1 3.75Å; F137-F162 AromaticContact CE2-CE1 3.73Å; F137-F162 HydrophobicContact CE2-CE1 3.73Å; F137-F162 AromaticContact CZ-CD1 3.71Å; F137-F162 HydrophobicContact CZ-CD1 3.71Å; F137-F162 AromaticContact CZ-CE1 3.93Å; F137-F162 HydrophobicContact CZ-CE1 3.93Å; P140-F162 HydrophobicContact CB-CB 3.96Å; P140-F162 HydrophobicContact CB-CD1 3.53Å; P140-F162 HydrophobicContact CB-CD2 4.28Å; P140-F162 HydrophobicContact CB-CE1 4.01Å; P140-F162 HydrophobicContact CB-CG 3.67Å; P140-F162 VanDerWaalsContact O-CE1 3.32Å; P140-F162 WeakPolarHBondContact O-CE1 3.44Å; P140-F162 WeakPolarHBondContact O-CE2 3.42Å; P140-F162 WeakPolarHBondContact O-CZ 3.46Å; V142-F162 HydrophobicContact CG2-CE1 3.87Å; V142-F162 HydrophobicContact CG2-CZ 4.35Å; F162-F170 HydrophobicContact CB-CD1 4.04Å; F162-K172 HydrophobicContact CD1-CD 4.18Å; F162-K172 HydrophobicContact CE1-CD 3.97Å; F162-K172 HydrophobicContact CZ-CD 4.31Å
163L96.3Very high96.5Very high8 Ų865.4 Ų65.44%0.04233%0.332CS..EExtended strand (participates in β ladder)trans-90128-178.4-60.5167.8000109.1M48 E55 V161 F170 R171 F173M48-L163 HydrophobicContact CE-CD2 4.03Å; M48-L163 HydrophobicContact SD-CD2 3.91Å; E55-L163 HydrophobicContact CB-CD2 4.17Å; V161-L163 HydrophobicContact CG2-CD2 4.04Å; V161-L163 PolarHBondContact O-N 3.37Å; L163-F170 WeakPolarHBondContact O-CA 3.32Å; L163-R171 HydrophobicContact CB-CG 3.64Å; L163-R171 HydrophobicContact CD1-CG 4.3Å; L163-R171 PolarHBondContact N-O 2.71Å; L163-R171 PolarHBondContact O-N 2.7Å; L163-F173 HydrophobicContact CD1-CD2 3.9Å; L163-F173 HydrophobicContact CD1-CE2 3.78Å
164P95.2Very high96.5Very high28 Ų2864.1 Ų64.118%0.18232%0.323CS..EExtended strand (participates in β ladder)trans-68.7157.5175.333.3-39000110.7I33 A35I33-P164 HydrophobicContact CG2-CG 4.47Å; A35-P164 HydrophobicContact CB-CB 4.28Å; A35-P164 HydrophobicContact CB-CG 3.75Å
165R94.7Very high96.5Very high66 Ų6660.1 Ų60.125%0.24929%0.294CS..  trans-119.4161.7170.4-65.1170.955869.6110.1D135 D167 H168 L169 R171D135-R165 WeakPolarHBondContact OD1-CD 3.34Å; D135-R165 IonicContact OD1-CZ 3.64Å; D135-R165 IonicContact OD1-NE 3.69Å; D135-R165 IonicContact OD1-NH1 2.67Å; D135-R165 PolarHBondContact OD1-NH1 2.77Å; D135-R165 IonicContact OD2-CZ 2.71Å; D135-R165 IonicContact OD2-NH1 3.12Å; D135-R165 PolarHBondContact OD2-NH1 3.43Å; R165-D167 WeakPolarHBondContact CB-OD1 3.44Å; R165-D167 IonicContact CZ-OD2 2.74Å; R165-D167 IonicContact NE-OD1 3.1Å; R165-D167 PolarHBondContact NE-OD1 2.83Å; R165-D167 VanDerWaalsContact NE-OD1 3.14Å; R165-D167 IonicContact NE-OD2 2.7Å; R165-D167 PolarHBondContact NE-OD2 3.46Å; R165-D167 VanDerWaalsContact NE-OD2 3.1Å; R165-D167 IonicContact NH2-OD2 2.93Å; R165-D167 PolarHBondContact NH2-OD2 3.39Å; R165-D167 PolarHBondContact O-N 2.7Å; R165-H168 PolarHBondContact O-N 3.36Å; R165-H168 VanDerWaalsContact O-N 3.1Å; R165-L169 WeakPolarHBondContact CB-O 3.22Å; R165-L169 PolarHBondContact N-O 2.89Å; R165-R171 HydrophobicContact CG-CB 4.38Å; R165-R171 HydrophobicContact CG-CG 4.34Å
166E91.5Very high96.6Very high197 Ų19751.2 Ų51.292%0.92126%0.256SS*.THydrogen-bonded Turntrans-60.4-25.3175.5-63.2-177.917500113.2H168E166-H168 VanDerWaalsContact C-N 3.28Å; E166-H168 PolarHBondContact O-N 2.86Å
167D94.6Very high96.6Very high73 Ų7353.7 Ų53.739%0.3927%0.265SS..THydrogen-bonded Turntrans-8710.8178.856.320.3000113.6R165 L169R165-D167 WeakPolarHBondContact CB-OD1 3.44Å; R165-D167 IonicContact CZ-OD2 2.74Å; R165-D167 IonicContact NE-OD1 3.1Å; R165-D167 PolarHBondContact NE-OD1 2.83Å; R165-D167 VanDerWaalsContact NE-OD1 3.14Å; R165-D167 IonicContact NE-OD2 2.7Å; R165-D167 PolarHBondContact NE-OD2 3.46Å; R165-D167 VanDerWaalsContact NE-OD2 3.1Å; R165-D167 IonicContact NH2-OD2 2.93Å; R165-D167 PolarHBondContact NH2-OD2 3.39Å; R165-D167 PolarHBondContact O-N 2.7Å; D167-L169 PolarHBondContact O-N 2.95Å; D167-L169 WeakPolarHBondContact OD1-CB 3.25Å; D167-L169 PolarHBondContact OD1-N 2.79Å; D167-L169 VanDerWaalsContact OD1-N 3.17Å
168H92.6Very high96.6Very high169 Ų16952.4 Ų52.478%0.78226%0.256SS*.SBendtrans6215.2-176-51.9-61.1000115R165 E166R165-H168 PolarHBondContact O-N 3.36Å; R165-H168 VanDerWaalsContact O-N 3.1Å; E166-H168 VanDerWaalsContact C-N 3.28Å; E166-H168 PolarHBondContact O-N 2.86Å
169L96.7Very high96.5Very high35 Ų3553.8 Ų53.818%0.18326%0.258CS..  trans-93.6178.5165.8-55.4177.2000110.2V110 K136 R165 D167V110-L169 HydrophobicContact CB-CD2 4.25Å; V110-L169 HydrophobicContact CG1-CD1 4.36Å; V110-L169 HydrophobicContact CG1-CD2 4.41Å; V110-L169 HydrophobicContact CG2-CD2 4.07Å; K136-L169 HydrophobicContact CB-CD1 3.98Å; R165-L169 WeakPolarHBondContact CB-O 3.22Å; R165-L169 PolarHBondContact N-O 2.89Å; D167-L169 PolarHBondContact O-N 2.95Å; D167-L169 WeakPolarHBondContact OD1-CB 3.25Å; D167-L169 PolarHBondContact OD1-N 2.79Å; D167-L169 VanDerWaalsContact OD1-N 3.17Å
170F96.8Very high96.4Very high31 Ų3148.9 Ų48.914%0.13624%0.235CC..EExtended strand (participates in β ladder)trans-117.5156.4-177.8-62.6-92.5000111.8F37 K136 F137 P140 F162 L163F37-F170 AromaticContact CD1-CE1 3.85Å; F37-F170 HydrophobicContact CD1-CE1 3.85Å; F37-F170 HydrophobicContact CD1-CZ 4.27Å; F37-F170 AromaticContact CE1-CE1 3.94Å; F37-F170 HydrophobicContact CE1-CE1 3.94Å; K136-F170 PolarHBondContact N-O 2.99Å; F137-F170 VanDerWaalsContact CD1-O 3.23Å; F137-F170 WeakPolarHBondContact CD1-O 3.46Å; F137-F170 HydrophobicContact CD2-CB 4.3Å; F137-F170 HydrophobicContact CE1-CB 4.27Å; F137-F170 WeakPolarHBondContact CE1-O 3.2Å; F137-F170 HydrophobicContact CE2-CB 3.94Å; F137-F170 HydrophobicContact CZ-CB 3.92Å; F137-F170 PolarHBondContact N-O 3.12Å; F137-F170 PolarHBondContact O-N 2.84Å; P140-F170 HydrophobicContact CB-CB 4.32Å; P140-F170 HydrophobicContact CB-CD1 3.71Å; P140-F170 HydrophobicContact CB-CD2 3.85Å; P140-F170 HydrophobicContact CB-CE1 3.89Å; P140-F170 HydrophobicContact CB-CE2 4.07Å; P140-F170 HydrophobicContact CB-CG 3.67Å; P140-F170 HydrophobicContact CB-CZ 4.07Å; P140-F170 VanDerWaalsContact CD-CE2 3.48Å; P140-F170 HydrophobicContact CG-CD1 4.17Å; P140-F170 HydrophobicContact CG-CD2 4Å; P140-F170 HydrophobicContact CG-CE1 3.84Å; P140-F170 HydrophobicContact CG-CE2 3.71Å; P140-F170 HydrophobicContact CG-CG 4.24Å; P140-F170 HydrophobicContact CG-CZ 3.6Å; F162-F170 HydrophobicContact CB-CD1 4.04Å; L163-F170 WeakPolarHBondContact O-CA 3.32Å
171R97.7Very high96.3Very high61 Ų6150 Ų5023%0.2324%0.244CC..EExtended strand (participates in β ladder)trans-133.3154.2168.471.9-174179.5173.51.5110.3G53 F133 I134 D135 L163 R165G53-R171 PolarHBondContact O-NH2 3.4Å; F133-R171 HydrophobicContact CE2-CB 4.02Å; F133-R171 HydrophobicContact CE2-CG 4.44Å; I134-R171 CarbonylContact O-C 3.6Å; I134-R171 VanDerWaalsContact O-CA 3.22Å; I134-R171 WeakPolarHBondContact O-CA 3.32Å; D135-R171 VanDerWaalsContact OD1-CB 3.27Å; D135-R171 WeakPolarHBondContact OD1-CB 3.23Å; L163-R171 HydrophobicContact CB-CG 3.64Å; L163-R171 HydrophobicContact CD1-CG 4.3Å; L163-R171 PolarHBondContact N-O 2.71Å; L163-R171 PolarHBondContact O-N 2.7Å; R165-R171 HydrophobicContact CG-CB 4.38Å; R165-R171 HydrophobicContact CG-CG 4.34Å
172K97.8Very high96.2Very high11 Ų1153.8 Ų53.85%0.04827%0.267CS..EExtended strand (participates in β ladder)trans-149.7145.8179.1-171.4176.4172.882.70109.9I134 F137 V142 E159 T160 F162I134-K172 PolarHBondContact N-O 2.94Å; I134-K172 PolarHBondContact O-N 2.81Å; F137-K172 HydrophobicContact CE1-CB 4.29Å; F137-K172 HydrophobicContact CZ-CB 4.06Å; V142-K172 HydrophobicContact CG2-CD 3.69Å; E159-K172 WeakPolarHBondContact OE2-CE 3.39Å; E159-K172 IonicContact OE2-NZ 3.5Å; E159-K172 PolarHBondContact OE2-NZ 3.09Å; T160-K172 PolarHBondContact O-NZ 3.02Å; F162-K172 HydrophobicContact CD1-CD 4.18Å; F162-K172 HydrophobicContact CE1-CD 3.97Å; F162-K172 HydrophobicContact CZ-CD 4.31Å
173F98.3Very high96.1Very high45 Ų4559.8 Ų59.820%0.19730%0.295CS..EExtended strand (participates in β ladder)trans-113.4131.9175.1-60.7-94.8000110.1I131 F133 E159 T160 L163 Y175I131-F173 HydrophobicContact CG2-CD1 3.88Å; F133-F173 HydrophobicContact CB-CD1 4.24Å; F133-F173 HydrophobicContact CB-CE1 4.2Å; F133-F173 AromaticContact CD2-CD1 3.6Å; F133-F173 HydrophobicContact CD2-CD1 3.6Å; F133-F173 AromaticContact CD2-CE1 3.14Å; F133-F173 HydrophobicContact CD2-CE1 3.14Å; F133-F173 HydrophobicContact CD2-CE2 4.15Å; F133-F173 HydrophobicContact CD2-CG 4.28Å; F133-F173 AromaticContact CD2-CZ 3.46Å; F133-F173 HydrophobicContact CD2-CZ 3.46Å; F133-F173 VanDerWaalsContact CD2-CZ 3.46Å; F133-F173 HydrophobicContact CE2-CD1 4.38Å; F133-F173 AromaticContact CE2-CE1 3.62Å; F133-F173 HydrophobicContact CE2-CE1 3.62Å; F133-F173 HydrophobicContact CE2-CE2 4Å; F133-F173 AromaticContact CE2-CZ 3.39Å; F133-F173 HydrophobicContact CE2-CZ 3.39Å; F133-F173 HydrophobicContact CG-CD1 4.28Å; F133-F173 AromaticContact CG-CE1 3.84Å; F133-F173 HydrophobicContact CG-CE1 3.84Å; F133-F173 HydrophobicContact CG-CZ 4.46Å; F133-F173 HydrophobicContact CZ-CZ 4.36Å; E159-F173 WeakPolarHBondContact CA-O 3.49Å; T160-F173 HydrophobicContact CG2-CB 3.89Å; T160-F173 HydrophobicContact CG2-CD2 4.16Å; T160-F173 HydrophobicContact CG2-CG 4.48Å; T160-F173 PolarHBondContact N-O 3.25Å; T160-F173 PolarHBondContact OG1-N 2.97Å; L163-F173 HydrophobicContact CD1-CD2 3.9Å; L163-F173 HydrophobicContact CD1-CE2 3.78Å; F173-Y175 HydrophobicContact CB-CE1 4.2Å; F173-Y175 HydrophobicContact CB-CE2 3.91Å; F173-Y175 WeakPolarHBondContact CB-OH 3.41Å
174H98.5Very high96.1Very high12 Ų1260.4 Ų60.46%0.05630%0.298CS..EExtended strand (participates in β ladder)trans-114.4136.1169.5-137.4-130.8000109C132 V144 W146 V157 E159C132-H174 HydrophobicContact CB-CB 4.03Å; C132-H174 PolarHBondContact N-O 3.03Å; C132-H174 PolarHBondContact O-N 3.4Å; V144-H174 HydrophobicContact CG1-CB 3.9Å; V144-H174 VanDerWaalsContact CG1-ND1 3.27Å; V144-H174 WeakPolarHBondContact CG1-ND1 3.34Å; V144-H174 PolarHBondContact O-CE1 3.46Å; W146-H174 AromaticContact CD1-ND1 3.34Å; W146-H174 VanDerWaalsContact CD1-ND1 3.34Å; W146-H174 AromaticContact NE1-CG 3.85Å; W146-H174 AromaticContact NE1-ND1 3.2Å; W146-H174 PolarHBondContact NE1-ND1 3.35Å; V157-H174 VanDerWaalsContact CG1-CE1 3.44Å; V157-H174 WeakPolarHBondContact CG1-CE1 3.11Å; E159-H174 WeakPolarHBondContact CB-CD2 3.26Å; E159-H174 IonicContact OE2-NE2 3.59Å
175Y98.7Very high96.2Very high43 Ų4363.1 Ų63.117%0.16931%0.306CS..EExtended strand (participates in β ladder)trans-119.1145.8-176.1-54.2-77.4000110.2I129 L130 I131 W146 V157 S158 T160 F173I129-Y175 HydrophobicContact CG2-CD1 4.08Å; L130-Y175 CarbonylContact O-C 3.58Å; L130-Y175 VanDerWaalsContact O-CA 3.32Å; L130-Y175 WeakPolarHBondContact O-CA 2.97Å; I131-Y175 HydrophobicContact CB-CD1 4.43Å; I131-Y175 HydrophobicContact CD1-CE1 4.37Å; I131-Y175 HydrophobicContact CG1-CD1 3.97Å; I131-Y175 HydrophobicContact CG1-CE1 4.08Å; I131-Y175 HydrophobicContact CG2-CD1 4.22Å; I131-Y175 HydrophobicContact CG2-CE1 3.92Å; W146-Y175 PolarHBondContact NE1-O 2.79Å; V157-Y175 VanDerWaalsContact CA-O 3.26Å; V157-Y175 WeakPolarHBondContact CA-O 3.44Å; S158-Y175 PolarHBondContact N-O 2.86Å; S158-Y175 VanDerWaalsContact N-O 3.13Å; S158-Y175 PolarHBondContact O-N 3.11Å; T160-Y175 HydrophobicContact CG2-CE2 4.03Å; F173-Y175 HydrophobicContact CB-CE1 4.2Å; F173-Y175 HydrophobicContact CB-CE2 3.91Å; F173-Y175 WeakPolarHBondContact CB-OH 3.41Å
176L98.8Very high96.4Very high5 Ų560.3 Ų60.33%0.02630%0.295CS..EExtended strand (participates in β ladder)trans-133.9116.2169.6175.467.4000109.2I129 L130 W146 V153 V157 F178 Y186I129-L176 WeakPolarHBondContact CA-O 3.45Å; L130-L176 HydrophobicContact CB-CB 4.44Å; L130-L176 PolarHBondContact N-O 2.7Å; L130-L176 PolarHBondContact O-N 2.95Å; W146-L176 HydrophobicContact CB-CD2 4.15Å; W146-L176 HydrophobicContact CD2-CB 3.81Å; W146-L176 HydrophobicContact CD2-CD2 3.96Å; W146-L176 HydrophobicContact CD2-CG 4.46Å; W146-L176 HydrophobicContact CE3-CB 4.38Å; W146-L176 HydrophobicContact CE3-CD2 3.95Å; W146-L176 HydrophobicContact CG-CB 4Å; W146-L176 HydrophobicContact CG-CD2 4.07Å; W146-L176 HydrophobicContact CG-CG 4.44Å; W146-L176 HydrophobicContact CZ2-CB 4.1Å; V153-L176 HydrophobicContact CG2-CD1 3.98Å; V153-L176 HydrophobicContact CG2-CD2 4.09Å; V157-L176 HydrophobicContact CG2-CD1 3.72Å; L176-F178 HydrophobicContact CG-CB 4.49Å; L176-Y186 HydrophobicContact CD2-CD1 3.57Å; L176-Y186 HydrophobicContact CD2-CE1 3.99Å
177T98.5Very high96.7Very high80 Ų8051.2 Ų51.249%0.49125%0.253SS..EExtended strand (participates in β ladder)trans-72.7127167.958.50000109.2I129 G156I129-T177 HydrophobicContact CG1-CG2 4.17Å; G156-T177 WeakPolarHBondContact CA-OG1 3.26Å; G156-T177 PolarHBondContact O-N 2.83Å; G156-T177 PolarHBondContact O-OG1 3.31Å
178F97.4Very high96.9Very high17 Ų1747.8 Ų47.88%0.07523%0.234CC..EExtended strand (participates in β ladder)trans-146.8164.4-174.582.2-63.8000112.1N128 L130 L176 P180 Y186 W203N128-F178 HydrophobicContact CB-CD1 4.35Å; N128-F178 HydrophobicContact CB-CE1 3.66Å; N128-F178 HydrophobicContact CB-CZ 4.18Å; N128-F178 PolarHBondContact N-O 2.65Å; N128-F178 VanDerWaalsContact O-CD1 3.27Å; N128-F178 WeakPolarHBondContact O-CD1 3.43Å; N128-F178 PolarHBondContact O-N 2.98Å; L130-F178 HydrophobicContact CB-CD1 4.49Å; L130-F178 HydrophobicContact CB-CE1 4.4Å; L130-F178 HydrophobicContact CD1-CD1 4.44Å; L130-F178 HydrophobicContact CD1-CE1 4.39Å; L130-F178 HydrophobicContact CD1-CE2 4.44Å; L130-F178 HydrophobicContact CD1-CZ 4.37Å; L130-F178 HydrophobicContact CD2-CE1 3.8Å; L130-F178 HydrophobicContact CD2-CE2 4.47Å; L130-F178 HydrophobicContact CD2-CZ 3.72Å; L130-F178 HydrophobicContact CG-CD1 3.78Å; L130-F178 HydrophobicContact CG-CE1 3.49Å; L130-F178 VanDerWaalsContact CG-CE1 3.49Å; L130-F178 HydrophobicContact CG-CE2 4.3Å; L130-F178 HydrophobicContact CG-CG 4.32Å; L130-F178 HydrophobicContact CG-CZ 3.76Å; L176-F178 HydrophobicContact CG-CB 4.49Å; F178-P180 HydrophobicContact CD2-CG 4.3Å; F178-P180 HydrophobicContact CE1-CG 4.42Å; F178-P180 HydrophobicContact CE2-CB 3.86Å; F178-P180 HydrophobicContact CE2-CG 3.65Å; F178-P180 HydrophobicContact CZ-CB 4.31Å; F178-P180 HydrophobicContact CZ-CG 3.72Å; F178-Y186 HydrophobicContact CB-CE1 4.06Å; F178-Y186 HydrophobicContact CD2-CD2 4.22Å; F178-Y186 HydrophobicContact CD2-CE1 4.33Å; F178-Y186 AromaticContact CD2-CE2 3.57Å; F178-Y186 HydrophobicContact CD2-CE2 3.57Å; F178-Y186 AromaticContact CD2-CZ 3.63Å; F178-Y186 HydrophobicContact CE2-CD2 4.49Å; F178-Y186 HydrophobicContact CE2-CE2 4.09Å; F178-W203 HydrophobicContact CD2-CZ3 4.35Å; F178-W203 HydrophobicContact CE2-CE3 4.32Å; F178-W203 AromaticContact CE2-CH2 3.51Å; F178-W203 HydrophobicContact CE2-CH2 3.51Å; F178-W203 AromaticContact CE2-CZ3 3.39Å; F178-W203 HydrophobicContact CE2-CZ3 3.39Å; F178-W203 AromaticContact CZ-CH2 3.63Å; F178-W203 HydrophobicContact CZ-CH2 3.63Å; F178-W203 HydrophobicContact CZ-CZ2 4.23Å; F178-W203 AromaticContact CZ-CZ3 3.85Å; F178-W203 HydrophobicContact CZ-CZ3 3.85Å
179L96.7Very high97.2Very high93 Ų9341.8 Ų41.849%0.48721%0.207SC..  trans-109110.4170.8-168.965000107.9G125 P127G125-L179 VanDerWaalsContact C-CD1 3.47Å; G125-L179 WeakPolarHBondContact O-CD1 3.13Å; P127-L179 HydrophobicContact CG-CD1 4.33Å
180P95.4Very high97.3Very high4 Ų440.1 Ų40.13%0.02620%0.198CC..  trans-59136.2-179.9-19.829.7000112.6V122 L124 G125 E126 N128 F178V122-P180 HydrophobicContact CG1-CB 3.39Å; V122-P180 HydrophobicContact CG1-CG 3.58Å; L124-P180 HydrophobicContact CD2-CB 4.42Å; G125-P180 PolarHBondContact N-O 2.74Å; E126-P180 WeakPolarHBondContact O-CD 3.32Å; N128-P180 HydrophobicContact CB-CG 4.05Å; F178-P180 HydrophobicContact CD2-CG 4.3Å; F178-P180 HydrophobicContact CE1-CG 4.42Å; F178-P180 HydrophobicContact CE2-CB 3.86Å; F178-P180 HydrophobicContact CE2-CG 3.65Å; F178-P180 HydrophobicContact CZ-CB 4.31Å; F178-P180 HydrophobicContact CZ-CG 3.72Å
181S94.1Very high97.4Very high33 Ų3341.7 Ų41.723%0.23121%0.208CC..  trans-146.6148.3-176.9174.80000108.9E183 D184S181-E183 VanDerWaalsContact C-N 3.26Å; S181-E183 PolarHBondContact OG-N 2.81Å; S181-D184 VanDerWaalsContact CB-OD2 3.32Å; S181-D184 WeakPolarHBondContact CB-OD2 3.23Å; S181-D184 PolarHBondContact OG-OD2 3.14Å
182T93.8Very high97.3Very high90 Ų9039 Ų3955%0.55220%0.198SC*.SBendtrans-76.2-15.5173.351.60000113L124 F205L124-T182 HydrophobicContact CD1-CG2 3.79Å; L124-T182 HydrophobicContact CD2-CG2 4.12Å; T182-F205 HydrophobicContact CG2-CD1 4.02Å; T182-F205 HydrophobicContact CG2-CE1 4.41Å
183E94Very high97.1Very high154 Ų15443.7 Ų43.772%0.7222%0.215SC*.SBendtrans-95.8-9.8-177-53.2-56.5134.900113.1S181S181-E183 VanDerWaalsContact C-N 3.26Å; S181-E183 PolarHBondContact OG-N 2.81Å
184D96.1Very high96.8Very high21 Ų2142.9 Ų42.911%0.11222%0.22CC..  trans-114.9137.9-176.2-66.9-70000110.9R148 N149 S181 Y186R148-D184 IonicContact CZ-OD1 3.75Å; R148-D184 IonicContact CZ-OD2 3.89Å; R148-D184 IonicContact NE-OD1 3.51Å; R148-D184 PolarHBondContact NE-OD1 2.7Å; R148-D184 IonicContact NE-OD2 2.69Å; R148-D184 VanDerWaalsContact NH2-CG 3.25Å; R148-D184 IonicContact NH2-OD1 2.7Å; R148-D184 PolarHBondContact NH2-OD1 2.65Å; R148-D184 VanDerWaalsContact NH2-OD1 3.14Å; R148-D184 IonicContact NH2-OD2 2.74Å; R148-D184 PolarHBondContact NH2-OD2 2.96Å; N149-D184 PolarHBondContact ND2-OD1 2.65Å; N149-D184 WeakPolarHBondContact OD1-CA 3.4Å; S181-D184 VanDerWaalsContact CB-OD2 3.32Å; S181-D184 WeakPolarHBondContact CB-OD2 3.23Å; S181-D184 PolarHBondContact OG-OD2 3.14Å; D184-Y186 HydrophobicContact CB-CE2 3.94Å
185Y97.4Very high96.8Very high86 Ų8644.1 Ų44.134%0.33723%0.227SC..EExtended strand (participates in β ladder)trans-118.1157.9164.667.9-93.4000110.6R148 N149 D187 H202R148-Y185 WeakPolarHBondContact CA-O 3.48Å; N149-Y185 VanDerWaalsContact CA-CZ 3.49Å; N149-Y185 HydrophobicContact CB-CE1 4.24Å; N149-Y185 PolarHBondContact N-O 2.86Å; N149-Y185 WeakPolarHBondContact OD1-CD1 3.36Å; N149-Y185 PolarHBondContact OD1-N 2.8Å; N149-Y185 PolarHBondContact OD1-O 2.81Å; Y185-D187 WeakPolarHBondContact CE2-OD2 3.42Å; Y185-H202 WeakPolarHBondContact CB-CE1 3.22Å; Y185-H202 AromaticContact CD2-CE1 3.3Å; Y185-H202 WeakPolarHBondContact CD2-CE1 3.4Å; Y185-H202 AromaticContact CD2-ND1 3.69Å; Y185-H202 AromaticContact CG-CE1 3.45Å; Y185-H202 VanDerWaalsContact CG-CE1 3.45Å
186Y98.5Very high96.7Very high6 Ų651.9 Ų51.92%0.02426%0.264CS..EExtended strand (participates in β ladder)trans-129.2138.4-176.8-61.5-96.2000109.8L130 L147 R148 L176 F178 D184 W203L130-Y186 HydrophobicContact CD1-CD1 4.24Å; L130-Y186 HydrophobicContact CD1-CD2 4.05Å; L130-Y186 HydrophobicContact CD1-CG 3.67Å; L147-Y186 CarbonylContact O-C 3.53Å; L147-Y186 VanDerWaalsContact O-CA 3.23Å; L147-Y186 WeakPolarHBondContact O-CA 3.44Å; R148-Y186 HydrophobicContact CB-CD1 4.05Å; R148-Y186 HydrophobicContact CB-CE1 3.94Å; R148-Y186 HydrophobicContact CG-CD1 4.22Å; R148-Y186 HydrophobicContact CG-CE1 3.75Å; L176-Y186 HydrophobicContact CD2-CD1 3.57Å; L176-Y186 HydrophobicContact CD2-CE1 3.99Å; F178-Y186 HydrophobicContact CB-CE1 4.06Å; F178-Y186 HydrophobicContact CD2-CD2 4.22Å; F178-Y186 HydrophobicContact CD2-CE1 4.33Å; F178-Y186 AromaticContact CD2-CE2 3.57Å; F178-Y186 HydrophobicContact CD2-CE2 3.57Å; F178-Y186 AromaticContact CD2-CZ 3.63Å; F178-Y186 HydrophobicContact CE2-CD2 4.49Å; F178-Y186 HydrophobicContact CE2-CE2 4.09Å; D184-Y186 HydrophobicContact CB-CE2 3.94Å; Y186-W203 AromaticContact CD2-CE3 3.75Å; Y186-W203 HydrophobicContact CD2-CE3 3.75Å; Y186-W203 AromaticContact CD2-CZ3 3.8Å; Y186-W203 HydrophobicContact CD2-CZ3 3.8Å; Y186-W203 HydrophobicContact CE2-CZ3 4.21Å; Y186-W203 HydrophobicContact CG-CE3 4.45Å; Y186-W203 PolarHBondContact N-O 3.04Å; Y186-W203 PolarHBondContact O-N 3.4Å; Y186-W203 VanDerWaalsContact O-O 3.08Å
187D98.6Very high96.6Very high7 Ų758.9 Ų58.94%0.03730%0.297CS..EExtended strand (participates in β ladder)trans-121.6134.5173.8-57-64.1000110.1W146 L147 Y185 R200 K201 H202W146-D187 WeakPolarHBondContact CA-O 3.39Å; L147-D187 HydrophobicContact CB-CB 4.15Å; L147-D187 HydrophobicContact CD1-CB 4.28Å; L147-D187 HydrophobicContact CG-CB 4.49Å; L147-D187 PolarHBondContact N-O 3.2Å; L147-D187 PolarHBondContact O-N 2.83Å; Y185-D187 WeakPolarHBondContact CE2-OD2 3.42Å; D187-R200 HydrophobicContact CB-CG 3.65Å; D187-K201 WeakPolarHBondContact CA-O 3.27Å; D187-H202 VanDerWaalsContact OD1-CA 3.28Å; D187-H202 WeakPolarHBondContact OD1-CA 3.37Å; D187-H202 WeakPolarHBondContact OD1-CB 3.28Å; D187-H202 IonicContact OD1-CE1 3.55Å; D187-H202 IonicContact OD1-CG 3.63Å; D187-H202 IonicContact OD1-ND1 2.72Å; D187-H202 PolarHBondContact OD1-ND1 3.19Å
188C98.7Very high96.6Very high0 Ų057.9 Ų57.90%029%0.292CS..EExtended strand (participates in β ladder)trans-92.7115.3161.6-177.40000108.3V116 C132 V144 W146 R200 K201V116-C188 HydrophobicContact CG2-CB 3.52Å; C132-C188 HydrophobicContact CB-CB 3.65Å; C132-C188 WeakPolarHBondContact CB-SG 3.45Å; C132-C188 WeakPolarHBondContact SG-CB 3.49Å; C132-C188 CovalentContact SG-SG 2.03Å; C132-C188 PolarHBondContact SG-SG 2.85Å; V144-C188 VanDerWaalsContact CG1-SG 3.53Å; W146-C188 HydrophobicContact CE3-CB 4.05Å; W146-C188 HydrophobicContact CH2-CB 3.93Å; W146-C188 HydrophobicContact CZ2-CB 4.4Å; W146-C188 HydrophobicContact CZ3-CB 3.73Å; C188-R200 WeakPolarHBondContact O-CA 3.49Å; C188-K201 PolarHBondContact N-O 2.74Å; C188-K201 PolarHBondContact O-N 3.44Å
189E98.6Very high96.6Very high43 Ų4359.6 Ų59.620%0.20130%0.301CS..EExtended strand (participates in β ladder)trans-102.4121.4175.8-175.6169.692.500109.5V144 T145 P198 R200V144-E189 CarbonylContact C-O 3.52Å; V144-E189 WeakPolarHBondContact CA-O 3.46Å; T145-E189 PolarHBondContact N-O 2.03Å; T145-E189 PolarHBondContact O-N 2.9Å; E189-P198 HydrophobicContact CG-CB 3.59Å; E189-R200 IonicContact OE2-CZ 2.89Å; E189-R200 VanDerWaalsContact OE2-CZ 3.31Å; E189-R200 IonicContact OE2-NE 3.43Å; E189-R200 PolarHBondContact OE2-NE 3.21Å; E189-R200 VanDerWaalsContact OE2-NE 3.12Å; E189-R200 IonicContact OE2-NH2 3.62Å; E189-R200 PolarHBondContact OE2-NH2 3.15Å
190V98.7Very high96.7Very high0 Ų061.5 Ų61.50%030%0.302CS..EExtended strand (participates in β ladder)trans-119.8118-174.9-179.60000109.3P112 V114 I134 V142 V144 P198 L199P112-V190 HydrophobicContact CG-CG1 4.14Å; V114-V190 HydrophobicContact CG1-CG2 3.92Å; V114-V190 HydrophobicContact CG2-CB 4.12Å; V114-V190 HydrophobicContact CG2-CG1 4.26Å; V114-V190 HydrophobicContact CG2-CG2 3.9Å; I134-V190 HydrophobicContact CD1-CG1 4.12Å; I134-V190 HydrophobicContact CD1-CG2 3.69Å; I134-V190 HydrophobicContact CG1-CG2 3.96Å; I134-V190 HydrophobicContact CG2-CG1 4.13Å; V142-V190 HydrophobicContact CB-CG1 4.41Å; V142-V190 HydrophobicContact CG1-CG1 4.46Å; V144-V190 HydrophobicContact CG1-CG2 4.22Å; V144-V190 HydrophobicContact CG2-CG2 4.47Å; V190-P198 CarbonylContact O-C 3.47Å; V190-P198 WeakPolarHBondContact O-CA 3.42Å; V190-L199 PolarHBondContact N-O 3.42Å; V190-L199 PolarHBondContact O-N 2.94Å
191D98.2Very high96.8Very high65 Ų6565.1 Ų65.135%0.34832%0.317SS..EExtended strand (participates in β ladder)trans-103.4141.9172.6-176.431000110.2V142 N143 P198V142-D191 CarbonylContact C-O 3.57Å; V142-D191 VanDerWaalsContact CA-O 3.26Å; V142-D191 WeakPolarHBondContact CA-O 3.44Å; N143-D191 HydrophobicContact CB-CB 4.29Å; N143-D191 PolarHBondContact N-O 2.84Å; N143-D191 PolarHBondContact O-N 3.43Å; D191-P198 HydrophobicContact CB-CB 4.31Å; D191-P198 HydrophobicContact CB-CG 4.26Å
192H97.3Very high97Very high3 Ų368 Ų681%0.01433%0.327CS..EExtended strand (participates in β ladder)trans-155.5148.5-174.6178.2-98.8000109.8V110 P112 S138 P139 A141 V142 G194 L195V110-H192 PolarHBondContact O-CE1 2.69Å; V110-H192 VanDerWaalsContact O-CE1 3.22Å; P112-H192 HydrophobicContact CG-CB 4.25Å; S138-H192 PolarHBondContact O-CE1 2.89Å; S138-H192 PolarHBondContact O-NE2 3.21Å; P139-H192 PolarHBondContact O-NE2 3.08Å; P139-H192 VanDerWaalsContact O-NE2 3.16Å; A141-H192 PolarHBondContact O-CD2 2.84Å; V142-H192 HydrophobicContact CG1-CB 4.18Å; H192-G194 PolarHBondContact ND1-N 2.97Å; H192-G194 PolarHBondContact O-N 2.81Å; H192-L195 HydrophobicContact CB-CD1 3.9Å; H192-L195 HydrophobicContact CB-CG 4.16Å; H192-L195 WeakPolarHBondContact O-CB 3.42Å; H192-L195 PolarHBondContact O-N 2.87Å
193W92.7Very high97.2Very high110 Ų11065 Ų6542%0.41731%0.306SS..THydrogen-bonded Turntrans-59.7-22.6-175.6-62.9-2.1000115D42 N109 P139 A141D42-W193 WeakPolarHBondContact OD2-CZ2 3.44Å; N109-W193 PolarHBondContact ND2-O 2.78Å; P139-W193 HydrophobicContact CB-CZ3 4.41Å; P139-W193 HydrophobicContact CG-CD2 3.97Å; P139-W193 HydrophobicContact CG-CE3 3.28Å; P139-W193 HydrophobicContact CG-CH2 4.43Å; P139-W193 HydrophobicContact CG-CZ3 3.55Å; A141-W193 HydrophobicContact CB-CD2 4.08Å; A141-W193 HydrophobicContact CB-CG 4.48Å; A141-W193 HydrophobicContact CB-CH2 4.39Å; A141-W193 HydrophobicContact CB-CZ2 3.76Å
194G93.2Very high97.3Very high29 Ų2962.6 Ų62.630%0.29929%0.294SS..THydrogen-bonded Turntrans-83.9-8.417600000114.5I111 H192I111-G194 VanDerWaalsContact CG2-O 3.26Å; I111-G194 WeakPolarHBondContact CG2-O 3.43Å; H192-G194 PolarHBondContact ND1-N 2.97Å; H192-G194 PolarHBondContact O-N 2.81Å
195L97.3Very high97.2Very high37 Ų3764 Ų6419%0.19430%0.3CS..  trans-98.4137.6-177.9-64.7172.4000110.7I111 P112 H192 E197 L199I111-L195 HydrophobicContact CB-CD2 4.03Å; I111-L195 HydrophobicContact CG2-CD2 3.77Å; I111-L195 HydrophobicContact CG2-CG 4.16Å; P112-L195 HydrophobicContact CG-CD1 4.27Å; H192-L195 HydrophobicContact CB-CD1 3.9Å; H192-L195 HydrophobicContact CB-CG 4.16Å; H192-L195 WeakPolarHBondContact O-CB 3.42Å; H192-L195 PolarHBondContact O-N 2.87Å; L195-E197 WeakPolarHBondContact CB-O 3.29Å; L195-L199 HydrophobicContact CD1-CB 3.93Å
196E96.2Very high96.7Very high206 Ų20667.1 Ų67.196%0.96332%0.317SS*.SBendtrans-76.9-31.8171.3-65.9-177.2178.300111.8
197E97.4Very high95.7Very high153 Ų15374.5 Ų74.572%0.71535%0.352SS*.SBendtrans-137.4150176.462.1-179.2177.500110.3L195 L199L195-E197 WeakPolarHBondContact CB-O 3.29Å; E197-L199 PolarHBondContact O-N 2.88Å
198P98.1Very high94.3Very high59 Ų5982.3 Ų82.338%0.38339%0.386SS..PPolyproline II helixtrans-58.3133.6179-25.334.8000112.6E189 V190 D191 R200E189-P198 HydrophobicContact CG-CB 3.59Å; V190-P198 CarbonylContact O-C 3.47Å; V190-P198 WeakPolarHBondContact O-CA 3.42Å; D191-P198 HydrophobicContact CB-CB 4.31Å; D191-P198 HydrophobicContact CB-CG 4.26Å; P198-R200 PolarHBondContact O-N 2.8Å
199L98Very high92.4Very high52 Ų5288.1 Ų88.127%0.27242%0.421SS..EExtended strand (participates in β ladder)trans-78.1118.8175.4178.763.2000109.8V114 V190 L195 E197V114-L199 HydrophobicContact CB-CD2 3.9Å; V114-L199 HydrophobicContact CG2-CD2 3.58Å; V114-L199 HydrophobicContact CG2-CG 4.45Å; V190-L199 PolarHBondContact N-O 3.42Å; V190-L199 PolarHBondContact O-N 2.94Å; L195-L199 HydrophobicContact CD1-CB 3.93Å; E197-L199 PolarHBondContact O-N 2.88Å
200R98.2Very high90.4Very high133 Ų13392.8 Ų92.850%0.50245%0.447SS..EExtended strand (participates in β ladder)trans-102.4129.9177.3-165.1176.3-68.4171.61.6111.8D187 C188 E189 P198D187-R200 HydrophobicContact CB-CG 3.65Å; C188-R200 WeakPolarHBondContact O-CA 3.49Å; E189-R200 IonicContact OE2-CZ 2.89Å; E189-R200 VanDerWaalsContact OE2-CZ 3.31Å; E189-R200 IonicContact OE2-NE 3.43Å; E189-R200 PolarHBondContact OE2-NE 3.21Å; E189-R200 VanDerWaalsContact OE2-NE 3.12Å; E189-R200 IonicContact OE2-NH2 3.62Å; E189-R200 PolarHBondContact OE2-NH2 3.15Å; P198-R200 PolarHBondContact O-N 2.8Å
201K98.5Very high88.5Confident80 Ų80100.1 Ų100.135%0.34849%0.485SS..EExtended strand (participates in β ladder)trans-117.3116.9172-68.3-64.3176.5170.10110.7V114 V116 D187 C188V114-K201 HydrophobicContact CB-CG 3.73Å; V114-K201 HydrophobicContact CG1-CB 4.2Å; V114-K201 HydrophobicContact CG1-CG 3.59Å; V114-K201 WeakPolarHBondContact O-CD 3.39Å; V114-K201 WeakPolarHBondContact O-CE 3.18Å; V116-K201 HydrophobicContact CG2-CB 3.63Å; D187-K201 WeakPolarHBondContact CA-O 3.27Å; C188-K201 PolarHBondContact N-O 2.74Å; C188-K201 PolarHBondContact O-N 3.44Å
202H98.1Very high86.3Confident94 Ų94100.3 Ų100.344%0.43549%0.49SS..EExtended strand (participates in β ladder)trans-83.4143-178.1-171.677.2000111.7Y185 D187 E204Y185-H202 WeakPolarHBondContact CB-CE1 3.22Å; Y185-H202 AromaticContact CD2-CE1 3.3Å; Y185-H202 WeakPolarHBondContact CD2-CE1 3.4Å; Y185-H202 AromaticContact CD2-ND1 3.69Å; Y185-H202 AromaticContact CG-CE1 3.45Å; Y185-H202 VanDerWaalsContact CG-CE1 3.45Å; D187-H202 VanDerWaalsContact OD1-CA 3.28Å; D187-H202 WeakPolarHBondContact OD1-CA 3.37Å; D187-H202 WeakPolarHBondContact OD1-CB 3.28Å; D187-H202 IonicContact OD1-CE1 3.55Å; D187-H202 IonicContact OD1-CG 3.63Å; D187-H202 IonicContact OD1-ND1 2.72Å; D187-H202 PolarHBondContact OD1-ND1 3.19Å; H202-E204 IonicContact NE2-OE2 2.89Å
203W97.8Very high84.5Confident28 Ų28106.2 Ų106.211%0.10652%0.518CS..EExtended strand (participates in β ladder)trans-138.7127.1169.1-177.189.3000109.3V116 V122 L130 F178 Y186 F205V116-W203 HydrophobicContact CB-CB 4.35Å; V116-W203 HydrophobicContact CG1-CB 3.62Å; V116-W203 HydrophobicContact CG1-CG 4.05Å; V122-W203 HydrophobicContact CG2-CZ2 3.98Å; L130-W203 HydrophobicContact CD1-CD2 4.06Å; L130-W203 HydrophobicContact CD1-CE3 3.71Å; L130-W203 HydrophobicContact CD1-CG 4.42Å; L130-W203 HydrophobicContact CD1-CZ3 4.35Å; L130-W203 HydrophobicContact CD2-CD2 3.43Å; L130-W203 VanDerWaalsContact CD2-CD2 3.43Å; L130-W203 HydrophobicContact CD2-CE3 3.77Å; L130-W203 HydrophobicContact CD2-CG 3.8Å; L130-W203 HydrophobicContact CD2-CH2 4.42Å; L130-W203 HydrophobicContact CD2-CZ2 4.12Å; L130-W203 HydrophobicContact CD2-CZ3 4.25Å; L130-W203 HydrophobicContact CG-CD2 4.39Å; L130-W203 HydrophobicContact CG-CE3 4.33Å; F178-W203 HydrophobicContact CD2-CZ3 4.35Å; F178-W203 HydrophobicContact CE2-CE3 4.32Å; F178-W203 AromaticContact CE2-CH2 3.51Å; F178-W203 HydrophobicContact CE2-CH2 3.51Å; F178-W203 AromaticContact CE2-CZ3 3.39Å; F178-W203 HydrophobicContact CE2-CZ3 3.39Å; F178-W203 AromaticContact CZ-CH2 3.63Å; F178-W203 HydrophobicContact CZ-CH2 3.63Å; F178-W203 HydrophobicContact CZ-CZ2 4.23Å; F178-W203 AromaticContact CZ-CZ3 3.85Å; F178-W203 HydrophobicContact CZ-CZ3 3.85Å; Y186-W203 AromaticContact CD2-CE3 3.75Å; Y186-W203 HydrophobicContact CD2-CE3 3.75Å; Y186-W203 AromaticContact CD2-CZ3 3.8Å; Y186-W203 HydrophobicContact CD2-CZ3 3.8Å; Y186-W203 HydrophobicContact CE2-CZ3 4.21Å; Y186-W203 HydrophobicContact CG-CE3 4.45Å; Y186-W203 PolarHBondContact N-O 3.04Å; Y186-W203 PolarHBondContact O-N 3.4Å; Y186-W203 VanDerWaalsContact O-O 3.08Å; W203-F205 HydrophobicContact CH2-CB 4.21Å
204E95.7Very high83.1Confident102 Ų102104.6 Ų104.648%0.47752%0.52SS..EExtended strand (participates in β ladder)trans-134.3158.3169.860.9-179.4-178.900109.2H202 E206H202-E204 IonicContact NE2-OE2 2.89Å; E204-E206 PolarHBondContact O-N 3.02Å; E204-E206 VanDerWaalsContact O-N 3.1Å
205F93.8Very high82.1Confident51 Ų51111 Ų11122%0.22454%0.54CS..  trans-73.2105.4174.3177.2-99.3000109.6V122 L124 T182 W203 E207V122-F205 HydrophobicContact CB-CD2 4.03Å; V122-F205 HydrophobicContact CB-CE2 4.07Å; V122-F205 HydrophobicContact CG1-CD2 3.54Å; V122-F205 HydrophobicContact CG1-CE2 3.82Å; L124-F205 HydrophobicContact CD1-CE1 4.01Å; L124-F205 HydrophobicContact CD1-CZ 4.4Å; L124-F205 HydrophobicContact CD2-CD1 3.84Å; L124-F205 HydrophobicContact CD2-CD2 4.25Å; L124-F205 HydrophobicContact CD2-CE1 3.97Å; L124-F205 HydrophobicContact CD2-CE2 4.36Å; L124-F205 HydrophobicContact CD2-CG 3.97Å; L124-F205 HydrophobicContact CD2-CZ 4.23Å; L124-F205 HydrophobicContact CG-CD1 4.45Å; L124-F205 HydrophobicContact CG-CE1 4.07Å; L124-F205 HydrophobicContact CG-CZ 4.1Å; T182-F205 HydrophobicContact CG2-CD1 4.02Å; T182-F205 HydrophobicContact CG2-CE1 4.41Å; W203-F205 HydrophobicContact CH2-CB 4.21Å; F205-E207 HydrophobicContact CE1-CB 4.17Å
206E86.5Confident81Confident151 Ų151116.1 Ų116.171%0.70656%0.563SS**  trans-82.4115.5165.9-66.2-180-171.100108.8E204 K208E204-E206 PolarHBondContact O-N 3.02Å; E204-E206 VanDerWaalsContact O-N 3.1Å; E206-K208 PolarHBondContact O-N 3.17Å
207E77.6Confident80.3Confident162 Ų162110.1 Ų110.176%0.75754%0.537SS*.  trans-57.7116.4165.7-172.1171.6-158.200106.4F205 T209F205-E207 HydrophobicContact CE1-CB 4.17Å; E207-T209 PolarHBondContact O-N 2.76Å
208K70.8Confident79.6Confident171 Ų171106.4 Ų106.474%0.74353%0.525SS*.  trans-56.499.6171.1-70.6178.9-177.3174.20105.4E206 L210E206-K208 PolarHBondContact O-N 3.17Å; K208-L210 VanDerWaalsContact C-N 3.29Å; K208-L210 PolarHBondContact O-N 3.3Å
209T57.4Low79Confident121 Ų121109.7 Ų109.774%0.74254%0.538SS*.  trans-50.8112.6155.141.20000102.8E207 L211E207-T209 PolarHBondContact O-N 2.76Å; T209-L211 PolarHBondContact O-N 2.71Å
210L57.5Low78.4Confident141 Ų141110.8 Ų110.874%0.73855%0.549SS*.  trans-52.198.8169.3-71.7163.8000103.2K208 P212K208-L210 VanDerWaalsContact C-N 3.29Å; K208-L210 PolarHBondContact O-N 3.3Å; L210-P212 VanDerWaalsContact C-N 3.33Å; L210-P212 WeakPolarHBondContact O-CA 3.34Å; L210-P212 WeakPolarHBondContact O-CD 3.26Å
211L57.5Low78Confident154 Ų154107.8 Ų107.881%0.80655%0.546SS*.  trans-48.3112.9166.3-85.3171.3000102T209 E213T209-L211 PolarHBondContact O-N 2.71Å; L211-E213 PolarHBondContact O-N 2.97Å
212P53.1Low77.7Confident70 Ų70108.6 Ų108.646%0.45555%0.554SS.*  trans-68.2112.1-144.827.5-37.6000103.9L210 T214 K215L210-P212 VanDerWaalsContact C-N 3.33Å; L210-P212 WeakPolarHBondContact O-CA 3.34Å; L210-P212 WeakPolarHBondContact O-CD 3.26Å; P212-T214 HydrophobicContact CB-CG2 3.79Å; P212-T214 WeakPolarHBondContact CB-OG1 3.45Å; P212-T214 VanDerWaalsContact CG-OG1 3.29Å; P212-T214 WeakPolarHBondContact CG-OG1 3.28Å; P212-T214 CarbonylContact O-C 3.42Å; P212-T214 VanDerWaalsContact O-CA 3.29Å; P212-T214 WeakPolarHBondContact O-CA 3.26Å; P212-T214 PolarHBondContact O-N 2.74Å; P212-T214 PolarHBondContact O-OG1 3.01Å; P212-K215 PolarHBondContact O-N 2.87Å
213E59.3Low77.4Confident127 Ų127106.2 Ų106.259%0.59355%0.554SS**THydrogen-bonded Turntrans-45.5-24.9179.3-74.6-175.9152.700109.2L211 K215 E216 N217L211-E213 PolarHBondContact O-N 2.97Å; E213-K215 VanDerWaalsContact C-N 3.26Å; E213-K215 PolarHBondContact O-N 3.28Å; E213-E216 CarbonylContact O-C 3.59Å; E213-E216 PolarHBondContact O-N 2.91Å; E213-N217 WeakPolarHBondContact CB-ND2 3.46Å; E213-N217 VanDerWaalsContact O-CB 3.22Å; E213-N217 WeakPolarHBondContact O-CB 3.49Å; E213-N217 PolarHBondContact O-N 3.05Å
214T64.3Low77.2Confident75 Ų75110.6 Ų110.646%0.4658%0.579SS.*Hα-helixtrans-26.6-46.3157.375.10000116.6P212 V218P212-T214 HydrophobicContact CB-CG2 3.79Å; P212-T214 WeakPolarHBondContact CB-OG1 3.45Å; P212-T214 VanDerWaalsContact CG-OG1 3.29Å; P212-T214 WeakPolarHBondContact CG-OG1 3.28Å; P212-T214 CarbonylContact O-C 3.42Å; P212-T214 VanDerWaalsContact O-CA 3.29Å; P212-T214 WeakPolarHBondContact O-CA 3.26Å; P212-T214 PolarHBondContact O-N 2.74Å; P212-T214 PolarHBondContact O-OG1 3.01Å; T214-V218 VanDerWaalsContact O-CA 3.31Å; T214-V218 WeakPolarHBondContact O-CA 3.07Å; T214-V218 WeakPolarHBondContact O-CB 3.4Å; T214-V218 WeakPolarHBondContact O-CG2 3.07Å; T214-V218 PolarHBondContact O-N 3.04Å
215K72.1Confident77.1Confident165 Ų165111.8 Ų111.872%0.71758%0.583SS**Hα-helixtrans-69.1-45.6-178.7-76.2-171.6-175.6173.80111.2P212 E213 L219P212-K215 PolarHBondContact O-N 2.87Å; E213-K215 VanDerWaalsContact C-N 3.26Å; E213-K215 PolarHBondContact O-N 3.28Å; K215-L219 WeakPolarHBondContact O-CB 3.34Å; K215-L219 WeakPolarHBondContact O-CD1 3.37Å; K215-L219 VanDerWaalsContact O-CG 3.26Å; K215-L219 WeakPolarHBondContact O-CG 3.49Å; K215-L219 PolarHBondContact O-N 2.91Å
216E73.8Confident77.2Confident144 Ų144114.4 Ų114.467%0.67360%0.603SS**Hα-helixtrans-72.1-43.6179.3-154.7170.1-169.200111E213 V218 L219 C220E213-E216 CarbonylContact O-C 3.59Å; E213-E216 PolarHBondContact O-N 2.91Å; E216-V218 PolarHBondContact O-N 3.13Å; E216-L219 WeakPolarHBondContact O-CB 3.48Å; E216-L219 PolarHBondContact O-N 3.16Å; E216-C220 WeakPolarHBondContact O-CB 3.43Å; E216-C220 PolarHBondContact O-N 3.29Å; E216-C220 PolarHBondContact O-SG 3.22Å; E216-C220 VanDerWaalsContact O-SG 3.38Å
217N80.7Confident77.6Confident80 Ų80109 Ų10943%0.42859%0.588SS.*Hα-helixtrans-62-39.7171.7-70.1-12.6000111.9E213 C220 V221E213-N217 WeakPolarHBondContact CB-ND2 3.46Å; E213-N217 VanDerWaalsContact O-CB 3.22Å; E213-N217 WeakPolarHBondContact O-CB 3.49Å; E213-N217 PolarHBondContact O-N 3.05Å; N217-C220 PolarHBondContact O-N 3.11Å; N217-V221 WeakPolarHBondContact O-CB 3.39Å; N217-V221 WeakPolarHBondContact O-CG2 3.21Å; N217-V221 PolarHBondContact O-N 3.01Å
218V82.7Confident78.4Confident75 Ų75106.2 Ų106.246%0.45558%0.578SS.*Hα-helixtrans-67.6-41.5174.9166.80000109.8T214 E216 V221 L222T214-V218 VanDerWaalsContact O-CA 3.31Å; T214-V218 WeakPolarHBondContact O-CA 3.07Å; T214-V218 WeakPolarHBondContact O-CB 3.4Å; T214-V218 WeakPolarHBondContact O-CG2 3.07Å; T214-V218 PolarHBondContact O-N 3.04Å; E216-V218 PolarHBondContact O-N 3.13Å; V218-V221 PolarHBondContact O-N 3.13Å; V218-L222 HydrophobicContact CG1-CD1 3.55Å; V218-L222 HydrophobicContact CG1-CG 4.05Å; V218-L222 WeakPolarHBondContact O-CB 3.34Å; V218-L222 WeakPolarHBondContact O-CD1 3.33Å; V218-L222 WeakPolarHBondContact O-CG 3.43Å; V218-L222 PolarHBondContact O-N 2.89Å
219L84.9Confident79.6Confident127 Ų127102.5 Ų102.567%0.66557%0.569SS**Hα-helixtrans-60.7-44.2173-77.3163.7000111.6K215 E216 G223K215-L219 WeakPolarHBondContact O-CB 3.34Å; K215-L219 WeakPolarHBondContact O-CD1 3.37Å; K215-L219 VanDerWaalsContact O-CG 3.26Å; K215-L219 WeakPolarHBondContact O-CG 3.49Å; K215-L219 PolarHBondContact O-N 2.91Å; E216-L219 WeakPolarHBondContact O-CB 3.48Å; E216-L219 PolarHBondContact O-N 3.16Å; L219-G223 PolarHBondContact O-N 2.92Å
220C85.8Confident81.3Confident75 Ų7598.9 Ų98.951%0.50756%0.556SS.*Hα-helixtrans-63.4-46.6175.3-760000112.2E216 N217 G223 L224E216-C220 WeakPolarHBondContact O-CB 3.43Å; E216-C220 PolarHBondContact O-N 3.29Å; E216-C220 PolarHBondContact O-SG 3.22Å; E216-C220 VanDerWaalsContact O-SG 3.38Å; N217-C220 PolarHBondContact O-N 3.11Å; C220-G223 PolarHBondContact O-N 3.46Å; C220-L224 WeakPolarHBondContact O-CG 3.15Å; C220-L224 PolarHBondContact O-N 2.79Å
221V90.7Very high83.2Confident71 Ų7197.1 Ų97.143%0.4355%0.546SS..Hα-helixtrans-64.8-45178.9168.40000110.6N217 V218 G223 L224 F225N217-V221 WeakPolarHBondContact O-CB 3.39Å; N217-V221 WeakPolarHBondContact O-CG2 3.21Å; N217-V221 PolarHBondContact O-N 3.01Å; V218-V221 PolarHBondContact O-N 3.13Å; V221-G223 VanDerWaalsContact C-N 3.33Å; V221-G223 PolarHBondContact O-N 3.14Å; V221-L224 PolarHBondContact O-N 3.1Å; V221-F225 HydrophobicContact CG1-CD2 3.65Å; V221-F225 HydrophobicContact CG1-CE2 3.4Å; V221-F225 WeakPolarHBondContact O-CD2 3.45Å; V221-F225 PolarHBondContact O-N 3.03Å
222L90.8Very high84.9Confident97 Ų9794.1 Ų94.151%0.50853%0.534SS..Hα-helixtrans-60.7-43.3173.4-73.4169.1000111V218 L224 F225 V226V218-L222 HydrophobicContact CG1-CD1 3.55Å; V218-L222 HydrophobicContact CG1-CG 4.05Å; V218-L222 WeakPolarHBondContact O-CB 3.34Å; V218-L222 WeakPolarHBondContact O-CD1 3.33Å; V218-L222 WeakPolarHBondContact O-CG 3.43Å; V218-L222 PolarHBondContact O-N 2.89Å; L222-L224 PolarHBondContact O-N 3.21Å; L222-F225 PolarHBondContact O-N 2.92Å; L222-V226 VanDerWaalsContact O-CG2 3.29Å; L222-V226 WeakPolarHBondContact O-CG2 3.39Å; L222-V226 PolarHBondContact O-N 2.82Å
223G92.1Very high86.9Confident44 Ų4494.4 Ų94.445%0.45454%0.535SS..Hα-helixtrans-59.7-43.2175.200000112.8L219 C220 V221 V226 G227L219-G223 PolarHBondContact O-N 2.92Å; C220-G223 PolarHBondContact O-N 3.46Å; V221-G223 VanDerWaalsContact C-N 3.33Å; V221-G223 PolarHBondContact O-N 3.14Å; G223-V226 PolarHBondContact O-N 3.1Å; G223-G227 PolarHBondContact O-N 3.17Å
224L94.6Very high88.6Confident119 Ų11989.7 Ų89.762%0.62352%0.52SS*.Hα-helixtrans-63.3-44.7174.9-73.6169.7000111.9C220 V221 L222 G227 L228C220-L224 WeakPolarHBondContact O-CG 3.15Å; C220-L224 PolarHBondContact O-N 2.79Å; V221-L224 PolarHBondContact O-N 3.1Å; L222-L224 PolarHBondContact O-N 3.21Å; L224-G227 PolarHBondContact O-N 2.93Å; L224-L228 WeakPolarHBondContact O-CB 3.47Å; L224-L228 WeakPolarHBondContact O-CG 3.1Å; L224-L228 PolarHBondContact O-N 3.09Å
225F94Very high90Very high128 Ų12890.3 Ų90.356%0.56152%0.519SS*.Hα-helixtrans-62.5-45.1176.9-81.5-64.7000112.1V221 L222 G227 L228 V229V221-F225 HydrophobicContact CG1-CD2 3.65Å; V221-F225 HydrophobicContact CG1-CE2 3.4Å; V221-F225 WeakPolarHBondContact O-CD2 3.45Å; V221-F225 PolarHBondContact O-N 3.03Å; L222-F225 PolarHBondContact O-N 2.92Å; F225-G227 VanDerWaalsContact C-N 3.32Å; F225-G227 PolarHBondContact O-N 3.19Å; F225-L228 PolarHBondContact O-N 2.99Å; F225-V229 WeakPolarHBondContact O-CB 3.22Å; F225-V229 VanDerWaalsContact O-CG2 3.28Å; F225-V229 WeakPolarHBondContact O-CG2 3.36Å; F225-V229 PolarHBondContact O-N 3.18Å
226V94.6Very high91.1Very high106 Ų10685.6 Ų85.664%0.64250%0.504SS*.Hα-helixtrans-61.4-42.5176.1173.10000110.8L222 G223 V229 G230L222-V226 VanDerWaalsContact O-CG2 3.29Å; L222-V226 WeakPolarHBondContact O-CG2 3.39Å; L222-V226 PolarHBondContact O-N 2.82Å; G223-V226 PolarHBondContact O-N 3.1Å; V226-V229 PolarHBondContact O-N 3.33Å; V226-G230 PolarHBondContact O-N 3.21Å
227G94.5Very high92Very high38 Ų3884.1 Ų84.139%0.39250%0.5SS..Hα-helixtrans-60.4-47.5174.900000113G223 L224 F225 G230 I231G223-G227 PolarHBondContact O-N 3.17Å; L224-G227 PolarHBondContact O-N 2.93Å; F225-G227 VanDerWaalsContact C-N 3.32Å; F225-G227 PolarHBondContact O-N 3.19Å; G227-G230 PolarHBondContact O-N 2.77Å; G227-I231 WeakPolarHBondContact O-CG1 3.49Å; G227-I231 PolarHBondContact O-N 3.47Å
228L95.8Very high92.6Very high103 Ų10385.5 Ų85.554%0.53951%0.507SS..Hα-helixtrans-63.3-44.5177.9-74.3172.3000112.2L224 F225 G230 I231 V232L224-L228 WeakPolarHBondContact O-CB 3.47Å; L224-L228 WeakPolarHBondContact O-CG 3.1Å; L224-L228 PolarHBondContact O-N 3.09Å; F225-L228 PolarHBondContact O-N 2.99Å; L228-G230 VanDerWaalsContact C-N 3.3Å; L228-G230 PolarHBondContact O-N 3.23Å; L228-I231 PolarHBondContact O-N 3.46Å; L228-V232 WeakPolarHBondContact O-CG2 3.5Å; L228-V232 PolarHBondContact O-N 2.93Å
229V95.2Very high93Very high92 Ų9285.4 Ų85.456%0.55850%0.503SS*.Hα-helixtrans-61.1-42.1175.7171.90000110.4F225 V226 I231 V232 V233F225-V229 WeakPolarHBondContact O-CB 3.22Å; F225-V229 VanDerWaalsContact O-CG2 3.28Å; F225-V229 WeakPolarHBondContact O-CG2 3.36Å; F225-V229 PolarHBondContact O-N 3.18Å; V226-V229 PolarHBondContact O-N 3.33Å; V229-I231 PolarHBondContact O-N 2.87Å; V229-V232 PolarHBondContact O-N 2.98Å; V229-V233 HydrophobicContact CG1-CG2 4.27Å; V229-V233 WeakPolarHBondContact O-CB 3.44Å; V229-V233 VanDerWaalsContact O-CG2 3.26Å; V229-V233 WeakPolarHBondContact O-CG2 3.49Å; V229-V233 PolarHBondContact O-N 3.1Å
230G94.5Very high93.1Very high46 Ų4686 Ų8647%0.47450%0.5SS..Hα-helixtrans-58.4-43.2174.100000113.2V226 G227 L228 G234V226-G230 PolarHBondContact O-N 3.21Å; G227-G230 PolarHBondContact O-N 2.77Å; L228-G230 VanDerWaalsContact C-N 3.3Å; L228-G230 PolarHBondContact O-N 3.23Å; G230-G234 PolarHBondContact O-N 3.23Å
231I95.6Very high93.1Very high103 Ų10384.4 Ų84.453%0.52850%0.496SS..Hα-helixtrans-63.5-48.6176.2-68.3165.5000110.9G227 L228 V229 V233 G234 I235G227-I231 WeakPolarHBondContact O-CG1 3.49Å; G227-I231 PolarHBondContact O-N 3.47Å; L228-I231 PolarHBondContact O-N 3.46Å; V229-I231 PolarHBondContact O-N 2.87Å; I231-V233 PolarHBondContact O-N 3.33Å; I231-G234 PolarHBondContact O-N 3.11Å; I231-I235 HydrophobicContact CG2-CD1 3.77Å; I231-I235 HydrophobicContact CG2-CG1 4.42Å; I231-I235 WeakPolarHBondContact O-CG1 3.46Å; I231-I235 PolarHBondContact O-N 2.99Å
232V95Very high93Very high91 Ų9185.6 Ų85.655%0.55250%0.5SS*.Hα-helixtrans-61.3-45.9-179.8172.90000110.9L228 V229 G234 I235 V236L228-V232 WeakPolarHBondContact O-CG2 3.5Å; L228-V232 PolarHBondContact O-N 2.93Å; V229-V232 PolarHBondContact O-N 2.98Å; V232-G234 VanDerWaalsContact C-N 3.35Å; V232-G234 PolarHBondContact O-N 3.44Å; V232-I235 PolarHBondContact O-N 3.08Å; V232-V236 WeakPolarHBondContact O-CG2 3.29Å; V232-V236 PolarHBondContact O-N 2.84Å
233V94.6Very high92.7Very high77 Ų7789.7 Ų89.747%0.46751%0.508SS..Hα-helixtrans-61.7-43.6176.4172.40000110.7V229 I231 I235 V236 L237V229-V233 HydrophobicContact CG1-CG2 4.27Å; V229-V233 WeakPolarHBondContact O-CB 3.44Å; V229-V233 VanDerWaalsContact O-CG2 3.26Å; V229-V233 WeakPolarHBondContact O-CG2 3.49Å; V229-V233 PolarHBondContact O-N 3.1Å; I231-V233 PolarHBondContact O-N 3.33Å; V233-I235 PolarHBondContact O-N 3.19Å; V233-V236 PolarHBondContact O-N 3.25Å; V233-L237 HydrophobicContact CG1-CD1 4.03Å; V233-L237 HydrophobicContact CG1-CG 4.43Å; V233-L237 VanDerWaalsContact O-CG 3.31Å; V233-L237 WeakPolarHBondContact O-CG 3.47Å; V233-L237 PolarHBondContact O-N 3.37Å
234G93.8Very high92.2Very high27 Ų2795.1 Ų95.128%0.27852%0.519SS..Hα-helixtrans-58-47.2175.100000112.9G230 I231 V232 V236 L237 I238G230-G234 PolarHBondContact O-N 3.23Å; I231-G234 PolarHBondContact O-N 3.11Å; V232-G234 VanDerWaalsContact C-N 3.35Å; V232-G234 PolarHBondContact O-N 3.44Å; G234-V236 PolarHBondContact O-N 3.01Å; G234-L237 PolarHBondContact O-N 2.8Å; G234-I238 VanDerWaalsContact O-CG1 3.3Å; G234-I238 WeakPolarHBondContact O-CG1 3.33Å; G234-I238 PolarHBondContact O-N 3.46Å
235I94.9Very high91.4Very high89 Ų8997.1 Ų97.146%0.45652%0.519SS..Hα-helixtrans-61-45.5177-69.2168.1000111I231 V232 V233 L237 I238 I239I231-I235 HydrophobicContact CG2-CD1 3.77Å; I231-I235 HydrophobicContact CG2-CG1 4.42Å; I231-I235 WeakPolarHBondContact O-CG1 3.46Å; I231-I235 PolarHBondContact O-N 2.99Å; V232-I235 PolarHBondContact O-N 3.08Å; V233-I235 PolarHBondContact O-N 3.19Å; I235-L237 VanDerWaalsContact C-N 3.33Å; I235-L237 PolarHBondContact O-N 2.91Å; I235-I238 PolarHBondContact O-N 3.09Å; I235-I239 HydrophobicContact CG2-CD1 3.7Å; I235-I239 HydrophobicContact CG2-CG1 4.35Å; I235-I239 VanDerWaalsContact O-CG1 3.3Å; I235-I239 WeakPolarHBondContact O-CG1 3.37Å; I235-I239 PolarHBondContact O-N 3.13Å
236V93.8Very high90.6Very high66 Ų6695 Ų9540%0.451%0.513SS..Hα-helixtrans-62.4-41178.9170.90000111.4V232 V233 G234 I239 K240V232-V236 WeakPolarHBondContact O-CG2 3.29Å; V232-V236 PolarHBondContact O-N 2.84Å; V233-V236 PolarHBondContact O-N 3.25Å; G234-V236 PolarHBondContact O-N 3.01Å; V236-I239 PolarHBondContact O-N 3.47Å; V236-K240 HydrophobicContact CG1-CD 4.3Å; V236-K240 WeakPolarHBondContact O-CB 3.34Å; V236-K240 WeakPolarHBondContact O-CG 3.49Å; V236-K240 PolarHBondContact O-N 3.12Å
237L93.1Very high89.6Confident113 Ų11392.4 Ų92.459%0.59250%0.503SS*.Hα-helixtrans-65.3-42.2176.1-70.6174000111.8V233 G234 I235 K240 G241V233-L237 HydrophobicContact CG1-CD1 4.03Å; V233-L237 HydrophobicContact CG1-CG 4.43Å; V233-L237 VanDerWaalsContact O-CG 3.31Å; V233-L237 WeakPolarHBondContact O-CG 3.47Å; V233-L237 PolarHBondContact O-N 3.37Å; G234-L237 PolarHBondContact O-N 2.8Å; I235-L237 VanDerWaalsContact C-N 3.33Å; I235-L237 PolarHBondContact O-N 2.91Å; L237-K240 PolarHBondContact O-N 3.44Å; L237-G241 PolarHBondContact O-N 3.49Å
238I93.1Very high88.7Confident109 Ų10993.9 Ų93.956%0.55950%0.504SS*.Hα-helixtrans-61.7-47.9175-69.1166.5000110.7G234 I235 K240 G241 L242G234-I238 VanDerWaalsContact O-CG1 3.3Å; G234-I238 WeakPolarHBondContact O-CG1 3.33Å; G234-I238 PolarHBondContact O-N 3.46Å; I235-I238 PolarHBondContact O-N 3.09Å; I238-K240 PolarHBondContact O-N 2.83Å; I238-G241 PolarHBondContact O-N 3.22Å; I238-L242 HydrophobicContact CG2-CD1 3.83Å; I238-L242 HydrophobicContact CG2-CG 4.26Å; I238-L242 WeakPolarHBondContact O-CB 3.11Å; I238-L242 WeakPolarHBondContact O-CG 3.47Å; I238-L242 PolarHBondContact O-N 3.25Å
239I91.6Very high87.5Confident73 Ų7393.3 Ų93.337%0.37450%0.499SS..Hα-helixtrans-61-44.4178.2-68.2168.7000110.8I235 V236 G241 L242 R243I235-I239 HydrophobicContact CG2-CD1 3.7Å; I235-I239 HydrophobicContact CG2-CG1 4.35Å; I235-I239 VanDerWaalsContact O-CG1 3.3Å; I235-I239 WeakPolarHBondContact O-CG1 3.37Å; I235-I239 PolarHBondContact O-N 3.13Å; V236-I239 PolarHBondContact O-N 3.47Å; I239-G241 VanDerWaalsContact C-N 3.34Å; I239-L242 PolarHBondContact O-N 2.85Å; I239-R243 HydrophobicContact CG2-CG 4.42Å; I239-R243 WeakPolarHBondContact O-CB 3.3Å; I239-R243 VanDerWaalsContact O-CG 3.28Å; I239-R243 WeakPolarHBondContact O-CG 3.31Å; I239-R243 PolarHBondContact O-N 3.43Å
240K87.2Confident86.2Confident140 Ų14098.8 Ų98.861%0.60951%0.509SS*.Hα-helixtrans-62-41.6175.4-80.7-179173.7177.90111.6V236 L237 I238 R243 K244V236-K240 HydrophobicContact CG1-CD 4.3Å; V236-K240 WeakPolarHBondContact O-CB 3.34Å; V236-K240 WeakPolarHBondContact O-CG 3.49Å; V236-K240 PolarHBondContact O-N 3.12Å; L237-K240 PolarHBondContact O-N 3.44Å; I238-K240 PolarHBondContact O-N 2.83Å; K240-R243 PolarHBondContact O-N 3.41Å; K240-K244 WeakPolarHBondContact O-CB 3.35Å; K240-K244 PolarHBondContact O-N 3.32Å
241G86.2Confident84.9Confident41 Ų41106.3 Ų106.342%0.42352%0.524SS..Hα-helixtrans-61.4-48.7175.300000112.8L237 I238 I239 K244 R245L237-G241 PolarHBondContact O-N 3.49Å; I238-G241 PolarHBondContact O-N 3.22Å; I239-G241 VanDerWaalsContact C-N 3.34Å; G241-K244 PolarHBondContact O-N 2.83Å; G241-R245 PolarHBondContact O-N 3.3Å
242L87.9Confident83.5Confident96 Ų96108 Ų10850%0.50353%0.529SS..Hα-helixtrans-62.5-42.7176.9-69.3172.5000111.9I238 I239 K244 R245 N246I238-L242 HydrophobicContact CG2-CD1 3.83Å; I238-L242 HydrophobicContact CG2-CG 4.26Å; I238-L242 WeakPolarHBondContact O-CB 3.11Å; I238-L242 WeakPolarHBondContact O-CG 3.47Å; I238-L242 PolarHBondContact O-N 3.25Å; I239-L242 PolarHBondContact O-N 2.85Å; L242-K244 PolarHBondContact O-N 2.69Å; L242-R245 PolarHBondContact O-N 3.49Å; L242-N246 WeakPolarHBondContact O-CB 3.38Å; L242-N246 PolarHBondContact O-N 3.39Å; L242-N246 PolarHBondContact O-OD1 3.13Å
243R84.9Confident81.8Confident183 Ų183106.8 Ų106.869%0.69154%0.535SS*.Hα-helixtrans-62-41.1175.1-74.8178.4-177.6-172.92.4112.1I239 K240 A247I239-R243 HydrophobicContact CG2-CG 4.42Å; I239-R243 WeakPolarHBondContact O-CB 3.3Å; I239-R243 VanDerWaalsContact O-CG 3.28Å; I239-R243 WeakPolarHBondContact O-CG 3.31Å; I239-R243 PolarHBondContact O-N 3.43Å; K240-R243 PolarHBondContact O-N 3.41Å; R243-A247 WeakPolarHBondContact O-CB 3.41Å; R243-A247 PolarHBondContact O-N 2.84Å
244K80.6Confident80Confident158 Ų158107.2 Ų107.269%0.68755%0.547SS*.Hα-helixtrans-66.9-42.1177.5-165.4-179.5-179.2-173.70111.4K240 G241 L242 A247 V248K240-K244 WeakPolarHBondContact O-CB 3.35Å; K240-K244 PolarHBondContact O-N 3.32Å; G241-K244 PolarHBondContact O-N 2.83Å; L242-K244 PolarHBondContact O-N 2.69Å; K244-A247 PolarHBondContact O-N 3.22Å; K244-V248 WeakPolarHBondContact O-CG2 3.43Å; K244-V248 PolarHBondContact O-N 3.07Å
245R78.4Confident77.8Confident161 Ų161116 Ų11661%0.60859%0.587SS**Hα-helixtrans-61.9-48.2175-175.4177.6170.5164-0.3111.9G241 L242 A247 V248 E249G241-R245 PolarHBondContact O-N 3.3Å; L242-R245 PolarHBondContact O-N 3.49Å; R245-A247 VanDerWaalsContact C-N 3.27Å; R245-A247 PolarHBondContact O-N 2.84Å; R245-V248 PolarHBondContact O-N 2.88Å; R245-V248 VanDerWaalsContact O-N 3.08Å; R245-E249 IonicContact CZ-OE1 3.14Å; R245-E249 IonicContact NE-OE1 3.44Å; R245-E249 PolarHBondContact NE-OE1 3.47Å; R245-E249 IonicContact NH2-OE1 2.9Å; R245-E249 PolarHBondContact NH2-OE1 3.35Å; R245-E249 PolarHBondContact O-N 3.27Å
246N76.7Confident76.9Confident82 Ų82117.4 Ų117.444%0.43959%0.593SS.*Hα-helixtrans-60.8-36176.5-68.7-3.4000112.4L242 R250L242-N246 WeakPolarHBondContact O-CB 3.38Å; L242-N246 PolarHBondContact O-N 3.39Å; L242-N246 PolarHBondContact O-OD1 3.13Å; N246-R250 WeakPolarHBondContact O-CB 3.39Å; N246-R250 WeakPolarHBondContact O-CG 3.47Å; N246-R250 PolarHBondContact O-N 3.21Å
247A74.8Confident76Confident52 Ų52120.1 Ų120.143%0.4360%0.603SS.*Hα-helixtrans-69.2-34.5175.500000112.8R243 K244 R245 R251R243-A247 WeakPolarHBondContact O-CB 3.41Å; R243-A247 PolarHBondContact O-N 2.84Å; K244-A247 PolarHBondContact O-N 3.22Å; R245-A247 VanDerWaalsContact C-N 3.27Å; R245-A247 PolarHBondContact O-N 2.84Å; A247-R251 WeakPolarHBondContact O-CG 3.4Å; A247-R251 PolarHBondContact O-N 3.15Å
248V74.5Confident75.1Confident70 Ų70120.5 Ų120.542%0.42460%0.604SS.*Hα-helixtrans-72.4-45.2174.2173.40000111K244 R245 R250 R251 Q252K244-V248 WeakPolarHBondContact O-CG2 3.43Å; K244-V248 PolarHBondContact O-N 3.07Å; R245-V248 PolarHBondContact O-N 2.88Å; R245-V248 VanDerWaalsContact O-N 3.08Å; V248-R250 PolarHBondContact O-N 3.25Å; V248-R251 PolarHBondContact O-N 3.5Å; V248-R251 VanDerWaalsContact O-N 3.07Å; V248-Q252 PolarHBondContact O-N 3.31Å
249E71.4Confident74Confident91 Ų91121.2 Ų121.243%0.42561%0.607SS.*Hα-helixtrans-61.1-41.7176.1-75.6173.9-175.100111.5R245 R251 Q252 G253R245-E249 IonicContact CZ-OE1 3.14Å; R245-E249 IonicContact NE-OE1 3.44Å; R245-E249 PolarHBondContact NE-OE1 3.47Å; R245-E249 IonicContact NH2-OE1 2.9Å; R245-E249 PolarHBondContact NH2-OE1 3.35Å; R245-E249 PolarHBondContact O-N 3.27Å; E249-R251 VanDerWaalsContact C-N 3.3Å; E249-R251 PolarHBondContact O-N 3.28Å; E249-Q252 PolarHBondContact O-N 2.97Å; E249-G253 PolarHBondContact O-N 3.14Å
250R68.5Low72.9Confident206 Ų206124.2 Ų124.278%0.77762%0.621SS**Hα-helixtrans-63-32.1172.7-78.2-176.6-171-173.12.3113.5N246 V248 A254N246-R250 WeakPolarHBondContact O-CB 3.39Å; N246-R250 WeakPolarHBondContact O-CG 3.47Å; N246-R250 PolarHBondContact O-N 3.21Å; V248-R250 PolarHBondContact O-N 3.25Å; R250-A254 WeakPolarHBondContact O-CB 3.42Å
251R65.5Low72Confident205 Ų205123.1 Ų123.177%0.77462%0.622SS**Hα-helixtrans-76.9-33.5175.9-79.7-178.3178.6-173.9-0.4112.3A247 V248 E249A247-R251 WeakPolarHBondContact O-CG 3.4Å; A247-R251 PolarHBondContact O-N 3.15Å; V248-R251 PolarHBondContact O-N 3.5Å; V248-R251 VanDerWaalsContact O-N 3.07Å; E249-R251 VanDerWaalsContact C-N 3.3Å; E249-R251 PolarHBondContact O-N 3.28Å
252Q67.6Low71Confident137 Ų137129 Ų12964%0.6464%0.636SS**Hα-helixtrans-78.6-32.2177.5-75.1179.7-29.100112.9V248 E249 A254V248-Q252 PolarHBondContact O-N 3.31Å; E249-Q252 PolarHBondContact O-N 2.97Å; Q252-A254 VanDerWaalsContact C-N 3.3Å
253G59.3Low69.7Low67 Ų67131.5 Ų131.569%0.69165%0.647SS**THydrogen-bonded Turntrans-82-2.2174.800000115.1E249E249-G253 PolarHBondContact O-N 3.14Å
254A56.2Low68.4Low86 Ų86127.3 Ų127.371%0.71164%0.643SS**THydrogen-bonded Turntrans-1027.317600000113.3R250 Q252R250-A254 WeakPolarHBondContact O-CB 3.42Å; Q252-A254 VanDerWaalsContact C-N 3.3Å
255L47.3Very low67.3Low212 Ų212124.5 Ų124.5100%1.1164%0.639SS**  trans-102.40164.2-84.6159.3000108.7

Retrieved 255 of 255 residues in 48.4 ms (Link to these results)

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