A0A077Z463_TRITR Loading...

Protein maternal effect lethal 26

AlphaFold DB , UniProt , Accession A0A077Z463, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 361 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1K38.3Very low42.2Very low250 Ų250145.6 Ų145.6100%1.08782%0.818SS**  0118.10-87.7-179.1173.3178.90107.8
2T37.7Very low43.4Very low123 Ų123144.7 Ų144.776%0.75582%0.817SS**  trans48.8104.1146.650.20000117.6
3S37.1Very low44.3Very low97 Ų97142.6 Ų142.668%0.67881%0.81SS**  66.8116.987.373.40000113.2
4N39.4Very low46Very low171 Ų171140.1 Ų140.191%0.91481%0.806SS**  trans159.6130.3151.8-82.2-10.1000106.9
5G41.9Very low48.1Very low62 Ų62139.1 Ų139.164%0.63980%0.797SS**  cis-162.3144.5-3.700000106.2V7G5-V7 PolarHBondContact O-N 3.31Å; G5-V7 VanDerWaalsContact O-N 3.1Å
6F41.1Very low50.2Low222 Ų222135.2 Ų135.297%0.97478%0.78SS**  trans-62.8109.9166.6-92-102.2000107.2A8F6-A8 PolarHBondContact O-N 3.37Å
7V42.7Very low52.2Low138 Ų138131.8 Ų131.884%0.83677%0.766SS**  trans-69.2120.5166.41790000105.5G5 D9G5-V7 PolarHBondContact O-N 3.31Å; G5-V7 VanDerWaalsContact O-N 3.1Å; V7-D9 PolarHBondContact O-N 2.56Å
8A46Very low54Low84 Ų84132.7 Ų132.769%0.69476%0.756SS**  trans-52.4126.8179.100000109.6F6 E10F6-A8 PolarHBondContact O-N 3.37Å; A8-E10 PolarHBondContact O-N 3.2Å; A8-E10 VanDerWaalsContact O-N 3.11Å
9D46.2Very low55.9Low154 Ų154129.5 Ų129.582%0.82474%0.739SS**  trans-55.4114.1169.8-144.6-5.4000106.9V7 T11V7-D9 PolarHBondContact O-N 2.56Å; D9-T11 PolarHBondContact O-N 3.3Å
10E46.1Very low57.5Low173 Ų173127.1 Ų127.181%0.80872%0.721SS**  trans-57.8106.8172.4-78-178.6161.900106.1A8 V12A8-E10 PolarHBondContact O-N 3.2Å; A8-E10 VanDerWaalsContact O-N 3.11Å; E10-V12 PolarHBondContact O-N 3.48Å
11T47.5Very low59Low128 Ų128126 Ų12679%0.78571%0.712SS**  trans-65.292.7175.734.40000107.2D9 T13D9-T11 PolarHBondContact O-N 3.3Å; T11-T13 PolarHBondContact O-N 3.31Å; T11-T13 PolarHBondContact O-OG1 3.09Å
12V56.4Low61.5Low134 Ų134119.1 Ų119.181%0.81268%0.68SS**  trans-60.7102.8172.8179.30000106.6E10 S14E10-V12 PolarHBondContact O-N 3.48Å; V12-S14 PolarHBondContact O-N 2.76Å
13T54.7Low64Low118 Ų118116.8 Ų116.872%0.72467%0.665SS**  trans-76.2110.2174.7-120000106.8T11T11-T13 PolarHBondContact O-N 3.31Å; T11-T13 PolarHBondContact O-OG1 3.09Å
14S68.5Low66.6Low107 Ų107115.7 Ų115.775%0.74865%0.648SS**  trans-96120.3176.577.90000109.8V12V12-S14 PolarHBondContact O-N 2.76Å
15N77.7Confident69.2Low126 Ų126114.7 Ų114.767%0.67463%0.632SS**  trans-102.3137.7173-62.63.7000108.6
16S82.1Confident71.6Confident76 Ų76112.8 Ų112.853%0.53161%0.608SS.*  trans-128.8148.7171.658.70000109.9A157S16-A157 WeakPolarHBondContact O-CB 3.18Å; S16-A157 PolarHBondContact O-N 3.26Å; S16-A157 WeakPolarHBondContact OG-CB 3.27Å
17S84.5Confident74.1Confident78 Ų78109.7 Ų109.755%0.54559%0.593SS.*EExtended strand (participates in β ladder)trans-128154.8174.859.50000110.5V155 D156S17-V155 CarbonylContact C-O 3.6Å; S17-V155 VanDerWaalsContact CA-O 3.24Å; S17-V155 WeakPolarHBondContact CA-O 3.32Å; S17-D156 VanDerWaalsContact CB-OD1 3.31Å; S17-D156 WeakPolarHBondContact CB-OD1 3.42Å
18Y84.2Confident76.6Confident148 Ų148105.3 Ų105.358%0.5856%0.564SS**EExtended strand (participates in β ladder)trans-125.1127.2178.2170.7-97.4000108.9E20 T154 V155Y18-E20 HydrophobicContact CE1-CB 3.84Å; Y18-T154 CarbonylContact O-C 3.53Å; Y18-T154 VanDerWaalsContact O-CA 3.25Å; Y18-T154 WeakPolarHBondContact O-CA 3.47Å; Y18-V155 PolarHBondContact N-O 3.32Å; Y18-V155 PolarHBondContact O-N 3.39Å
19T89Confident78.9Confident71 Ų71107 Ų10744%0.43656%0.557SS.*EExtended strand (participates in β ladder)trans-115125.6176.5-58.20000110.6T152 V153 T154T19-T152 HydrophobicContact CG2-CG2 3.59Å; T19-V153 CarbonylContact C-O 3.5Å; T19-V153 VanDerWaalsContact CA-O 3.24Å; T19-V153 WeakPolarHBondContact CA-O 3.5Å; T19-T154 WeakPolarHBondContact CG2-OG1 3.37Å; T19-T154 WeakPolarHBondContact OG1-CG2 3.12Å; T19-T154 PolarHBondContact OG1-OG1 3.06Å
20E88.5Confident81.3Confident81 Ų81101.5 Ų101.538%0.37953%0.525SS..EExtended strand (participates in β ladder)trans-107.3123.9170.2-175.8-175-158.300110Y18 R22 T152 V153Y18-E20 HydrophobicContact CE1-CB 3.84Å; E20-R22 HydrophobicContact CG-CG 4.11Å; E20-R22 IonicContact OE2-NE 2.88Å; E20-R22 PolarHBondContact OE2-NE 3.35Å; E20-T152 CarbonylContact O-C 3.52Å; E20-T152 WeakPolarHBondContact O-CA 3.33Å; E20-V153 PolarHBondContact N-O 3.01Å; E20-V153 PolarHBondContact O-N 3.19Å
21I89.8Confident83.6Confident104 Ų10495.7 Ų95.753%0.53350%0.501SS..EExtended strand (participates in β ladder)trans-92108.7166.9-58.1173.8000107.3V23 V149 T152I21-V23 HydrophobicContact CG2-CG2 4.27Å; I21-V149 HydrophobicContact CG2-CB 4.31Å; I21-V149 HydrophobicContact CG2-CG1 3.56Å; I21-V149 HydrophobicContact CG2-CG2 3.84Å; I21-T152 HydrophobicContact CG1-CG2 4.26Å
22R89.5Confident85.8Confident106 Ų10690.3 Ų90.340%0.447%0.469SS..EExtended strand (participates in β ladder)trans-80.2126.8-179.9-65.4175175.5170-6.4109.6E20 V150 D151E20-R22 HydrophobicContact CG-CG 4.11Å; E20-R22 IonicContact OE2-NE 2.88Å; E20-R22 PolarHBondContact OE2-NE 3.35Å; R22-V150 HydrophobicContact CB-CG2 3.87Å; R22-V150 VanDerWaalsContact O-CG2 3.26Å; R22-V150 WeakPolarHBondContact O-CG2 3.34Å; R22-V150 PolarHBondContact O-N 3.2Å; R22-D151 HydrophobicContact CB-CB 4.12Å; R22-D151 IonicContact CZ-OD2 2.62Å; R22-D151 PolarHBondContact N-O 3.01Å; R22-D151 IonicContact NH1-OD2 2.88Å; R22-D151 PolarHBondContact NH1-OD2 3.31Å
23V91.2Very high87.6Confident74 Ų7491.3 Ų91.345%0.44846%0.462SS..EExtended strand (participates in β ladder)trans-122.4130.2-176.3177.30000109.6I21 D147 V148 V149I21-V23 HydrophobicContact CG2-CG2 4.27Å; V23-D147 HydrophobicContact CG1-CB 3.66Å; V23-V148 CarbonylContact C-O 3.53Å; V23-V148 VanDerWaalsContact CA-O 3.28Å; V23-V148 WeakPolarHBondContact CA-O 3.5Å; V23-V149 HydrophobicContact CG2-CG2 4.33Å
24K92Very high89.6Confident74 Ų7490.6 Ų90.632%0.32245%0.453SS..EExtended strand (participates in β ladder)trans-100.1133164.6-77.7-165177.8-163.20109.6L49 V148 V150K24-L49 HydrophobicContact CB-CD2 4.02Å; K24-V148 PolarHBondContact N-O 3.36Å; K24-V148 PolarHBondContact O-N 3.28Å; K24-V150 HydrophobicContact CB-CG1 3.99Å; K24-V150 HydrophobicContact CD-CG1 4.16Å; K24-V150 HydrophobicContact CG-CG1 3.9Å; K24-V150 HydrophobicContact CG-CG2 4.21Å
25R93.6Very high90.9Very high151 Ų15185.6 Ų85.657%0.5742%0.418SS*.EExtended strand (participates in β ladder)trans-103.9135.8177.8178.4170.4-72.6165-0.1110.4K27 T145 I146 D147R25-K27 HydrophobicContact CG-CG 4.46Å; R25-T145 HydrophobicContact CG-CG2 3.8Å; R25-I146 CarbonylContact C-O 3.56Å; R25-I146 WeakPolarHBondContact CA-O 3.44Å; R25-D147 VanDerWaalsContact CB-OD1 3.32Å; R25-D147 WeakPolarHBondContact CB-OD1 3.22Å; R25-D147 VanDerWaalsContact CG-OD1 3.29Å; R25-D147 WeakPolarHBondContact CG-OD1 3.35Å; R25-D147 IonicContact CZ-OD1 3.24Å; R25-D147 IonicContact CZ-OD2 3.41Å; R25-D147 IonicContact NE-OD1 3.85Å; R25-D147 PolarHBondContact NE-OD1 3.37Å; R25-D147 IonicContact NE-OD2 2.75Å; R25-D147 IonicContact NH2-OD1 2.74Å; R25-D147 PolarHBondContact NH2-OD1 3.36Å; R25-D147 IonicContact NH2-OD2 3.03Å; R25-D147 PolarHBondContact NH2-OD2 2.88Å
26V93.1Very high91.8Very high22 Ų2281.2 Ų81.213%0.13340%0.397CS..EExtended strand (participates in β ladder)trans-120.1139.6165610000109.6I47 L49 W58 T145 I146V26-I47 HydrophobicContact CG1-CG2 3.93Å; V26-I47 HydrophobicContact CG2-CG2 3.71Å; V26-L49 HydrophobicContact CB-CB 4.44Å; V26-L49 HydrophobicContact CB-CD1 4.34Å; V26-L49 HydrophobicContact CG1-CB 4.41Å; V26-W58 HydrophobicContact CG1-CZ3 4.47Å; V26-T145 WeakPolarHBondContact O-CA 3.43Å; V26-I146 HydrophobicContact CG1-CB 3.72Å; V26-I146 HydrophobicContact CG1-CD1 4.3Å; V26-I146 HydrophobicContact CG1-CG1 4.28Å; V26-I146 PolarHBondContact N-O 2.74Å; V26-I146 PolarHBondContact O-N 3.35Å
27K93.2Very high92.4Very high156 Ų15683.4 Ų83.468%0.67840%0.399SS*.EExtended strand (participates in β ladder)trans-117.1144.5173.7-66.3-179.4-179.5177.30109.2R25 T144 T145R25-K27 HydrophobicContact CG-CG 4.46Å; K27-T144 CarbonylContact C-O 3.55Å; K27-T144 WeakPolarHBondContact CA-O 3.5Å; K27-T145 HydrophobicContact CG-CG2 4.33Å
28H93.9Very high92.9Very high47 Ų4780.4 Ų80.422%0.21838%0.378CS..EExtended strand (participates in β ladder)trans-142.7127176.8178.971.5000109.9S45 I47 F143 T144H28-S45 PolarHBondContact NE2-OG 3.12Å; H28-I47 HydrophobicContact CB-CD1 3.51Å; H28-I47 HydrophobicContact CB-CG1 3.63Å; H28-I47 HydrophobicContact CB-CG2 4.38Å; H28-F143 CarbonylContact O-C 3.56Å; H28-F143 WeakPolarHBondContact O-CA 3.31Å; H28-T144 PolarHBondContact N-O 3.22Å; H28-T144 PolarHBondContact O-N 3.44Å
29Q94.7Very high93.3Very high119 Ų11980.7 Ų80.756%0.55638%0.384SS*.EExtended strand (participates in β ladder)trans-103.6128.1171.7178-178.7-2600109.1F143Q29-F143 HydrophobicContact CB-CD1 3.94Å; Q29-F143 HydrophobicContact CB-CE1 3.94Å; Q29-F143 VanDerWaalsContact CD-CE1 3.43Å; Q29-F143 HydrophobicContact CG-CD1 3.94Å; Q29-F143 HydrophobicContact CG-CE1 3.55Å; Q29-F143 HydrophobicContact CG-CZ 3.95Å; Q29-F143 VanDerWaalsContact OE1-CE1 3.23Å
30W96.4Very high93.5Very high39 Ų3983.1 Ų83.115%0.14839%0.391CS..EExtended strand (participates in β ladder)trans-128.8123.8176.3-179.324.9000110.6V32 L43 V60 I62 A141 V142W30-V32 HydrophobicContact CZ2-CG2 4.4Å; W30-L43 HydrophobicContact CH2-CB 3.6Å; W30-L43 HydrophobicContact CZ2-CB 3.69Å; W30-V60 HydrophobicContact CE3-CG1 4.12Å; W30-V60 HydrophobicContact CZ3-CB 4.38Å; W30-V60 HydrophobicContact CZ3-CG1 4.03Å; W30-V60 WeakPolarHBondContact CZ3-O 3.47Å; W30-I62 HydrophobicContact CD2-CD1 4.36Å; W30-I62 HydrophobicContact CE3-CD1 3.85Å; W30-I62 HydrophobicContact CE3-CG1 4.01Å; W30-I62 HydrophobicContact CH2-CD1 3.93Å; W30-I62 HydrophobicContact CH2-CG1 3.62Å; W30-I62 HydrophobicContact CZ2-CD1 4.41Å; W30-I62 HydrophobicContact CZ3-CD1 3.65Å; W30-I62 HydrophobicContact CZ3-CG1 3.32Å; W30-A141 CarbonylContact O-C 3.54Å; W30-V142 PolarHBondContact N-O 2.82Å; W30-V142 PolarHBondContact O-N 3.26Å
31T94.3Very high93.8Very high50 Ų5086.2 Ų86.231%0.30741%0.405SS..EExtended strand (participates in β ladder)trans-110.9134.4-178.9-64.90000111F139 L140T31-F139 HydrophobicContact CG2-CD2 3.91Å; T31-F139 HydrophobicContact CG2-CE1 3.94Å; T31-F139 HydrophobicContact CG2-CE2 3.19Å; T31-F139 HydrophobicContact CG2-CZ 3.21Å; T31-L140 CarbonylContact C-O 3.57Å; T31-L140 WeakPolarHBondContact CA-O 3.46Å
32V94.1Very high94.2Very high16 Ų1685 Ų8510%0.09739%0.394CS..EExtended strand (participates in β ladder)trans-117.1115.6172.4-1730000108.9W30 F35 L43 I62 L140W30-V32 HydrophobicContact CZ2-CG2 4.4Å; V32-F35 HydrophobicContact CB-CD2 4.25Å; V32-F35 HydrophobicContact CG1-CB 4.17Å; V32-F35 HydrophobicContact CG1-CD2 3.96Å; V32-L43 HydrophobicContact CB-CD1 4.43Å; V32-L43 HydrophobicContact CG1-CD1 3.67Å; V32-L43 HydrophobicContact CG2-CD1 3.84Å; V32-I62 HydrophobicContact CG2-CD1 3.98Å; V32-L140 PolarHBondContact N-O 2.96Å; V32-L140 PolarHBondContact O-N 2.82Å
33K95.1Very high94.6Very high155 Ų15581 Ų8167%0.67438%0.381SS*.EExtended strand (participates in β ladder)trans-88.4151.3169.5-64.8-175.1179-178.10109.8F35 D138 F139K33-F35 PolarHBondContact O-N 2.96Å; K33-D138 CarbonylContact C-O 3.59Å; K33-F139 HydrophobicContact CG-CD2 4.07Å; K33-F139 HydrophobicContact CG-CE2 4.46Å
34N96.2Very high94.9Very high102 Ų10281 Ų8155%0.54538%0.376SS..SBendtrans55.839.3-177.2-57.4-33.8000112.2S36 H37 D138N34-S36 VanDerWaalsContact C-N 3.26Å; N34-S36 PolarHBondContact O-N 3.43Å; N34-H37 HydrophobicContact CB-CB 4.45Å; N34-H37 WeakPolarHBondContact O-CB 3.29Å; N34-H37 PolarHBondContact O-N 3.41Å; N34-H37 VanDerWaalsContact O-N 3.09Å; N34-D138 VanDerWaalsContact CA-CG 3.45Å; N34-D138 WeakPolarHBondContact CA-O 3.4Å; N34-D138 WeakPolarHBondContact CA-OD2 3.17Å; N34-D138 PolarHBondContact N-O 2.8Å
35F96.9Very high95.1Very high2 Ų278.4 Ų78.41%0.00937%0.367CS..G310 helixtrans-59.7-36.9-174.6177.5-96.9000112.2V32 K33 H37 C38 I62 P64 V75 V130 I134 D138 L140V32-F35 HydrophobicContact CB-CD2 4.25Å; V32-F35 HydrophobicContact CG1-CB 4.17Å; V32-F35 HydrophobicContact CG1-CD2 3.96Å; K33-F35 PolarHBondContact O-N 2.96Å; F35-H37 PolarHBondContact O-N 3.45Å; F35-C38 VanDerWaalsContact O-CB 3.29Å; F35-C38 WeakPolarHBondContact O-CB 3.35Å; F35-C38 PolarHBondContact O-N 2.69Å; F35-I62 HydrophobicContact CE2-CG2 3.88Å; F35-I62 HydrophobicContact CZ-CG2 4.33Å; F35-P64 HydrophobicContact CE1-CB 4.47Å; F35-P64 HydrophobicContact CE2-CB 3.95Å; F35-P64 HydrophobicContact CE2-CG 4.02Å; F35-P64 HydrophobicContact CZ-CB 3.74Å; F35-P64 HydrophobicContact CZ-CG 4.29Å; F35-V75 HydrophobicContact CE1-CG2 4.07Å; F35-V75 HydrophobicContact CZ-CG1 3.85Å; F35-V75 HydrophobicContact CZ-CG2 3.97Å; F35-V130 HydrophobicContact CE1-CG1 4.26Å; F35-I134 HydrophobicContact CB-CD1 4.05Å; F35-I134 HydrophobicContact CD1-CD1 3.65Å; F35-I134 HydrophobicContact CG-CD1 4.27Å; F35-D138 PolarHBondContact N-OD1 3.05Å; F35-D138 PolarHBondContact N-OD2 2.93Å; F35-L140 HydrophobicContact CB-CB 4.15Å; F35-L140 HydrophobicContact CD1-CD2 4.14Å; F35-L140 HydrophobicContact CD2-CB 4.46Å; F35-L140 HydrophobicContact CD2-CD2 3.68Å; F35-L140 HydrophobicContact CE1-CD2 4.12Å; F35-L140 HydrophobicContact CE2-CD2 3.69Å; F35-L140 HydrophobicContact CG-CB 4.22Å; F35-L140 HydrophobicContact CG-CD2 3.91Å; F35-L140 HydrophobicContact CZ-CD2 3.9Å
36S95.7Very high95.2Very high34 Ų3475.9 Ų75.924%0.23836%0.361CS..G310 helixtrans-61-26.9178.6810000112.8N34 D138N34-S36 VanDerWaalsContact C-N 3.26Å; N34-S36 PolarHBondContact O-N 3.43Å; S36-D138 WeakPolarHBondContact CB-OD1 3.31Å; S36-D138 VanDerWaalsContact CB-OD2 3.27Å; S36-D138 WeakPolarHBondContact CB-OD2 3.45Å; S36-D138 PolarHBondContact N-OD1 3.12Å; S36-D138 PolarHBondContact N-OD2 3.07Å; S36-D138 VanDerWaalsContact OG-CG 3.3Å; S36-D138 PolarHBondContact OG-OD2 2.86Å
37H95.3Very high95.3Very high123 Ų12375 Ų7557%0.56936%0.355SS*.G310 helixtrans-87.41177.4-62.3-73.5000113.9N34 F35 H39 D138N34-H37 HydrophobicContact CB-CB 4.45Å; N34-H37 WeakPolarHBondContact O-CB 3.29Å; N34-H37 PolarHBondContact O-N 3.41Å; N34-H37 VanDerWaalsContact O-N 3.09Å; F35-H37 PolarHBondContact O-N 3.45Å; H37-H39 PolarHBondContact O-CD2 3.35Å; H37-H39 PolarHBondContact O-N 3.25Å; H37-D138 IonicContact CD2-OD2 3.31Å; H37-D138 PolarHBondContact CD2-OD2 3.14Å; H37-D138 VanDerWaalsContact CD2-OD2 3.3Å; H37-D138 IonicContact NE2-OD2 3.94Å
38C94.2Very high95.3Very high14 Ų1470.3 Ų70.310%0.09534%0.342CS..  trans-69.4118.1-178.4-168.40000111.7F35 P64 K65F35-C38 VanDerWaalsContact O-CB 3.29Å; F35-C38 WeakPolarHBondContact O-CB 3.35Å; F35-C38 PolarHBondContact O-N 2.69Å; C38-P64 HydrophobicContact CB-CB 4.3Å; C38-P64 HydrophobicContact CB-CG 3.94Å; C38-K65 VanDerWaalsContact O-CE 3.31Å; C38-K65 WeakPolarHBondContact O-CE 3.44Å; C38-K65 PolarHBondContact O-NZ 3.47Å
39H91.8Very high95.1Very high154 Ų15469 Ų6971%0.71334%0.337SS*.  trans-103.5-9176.5-69.6-83.3000113.7H37 K65H37-H39 PolarHBondContact O-CD2 3.35Å; H37-H39 PolarHBondContact O-N 3.25Å; H39-K65 PolarHBondContact ND1-NZ 3.3Å
40Q94.1Very high94.7Very high123 Ų12365.5 Ų65.558%0.57532%0.324SS*.SBendtrans-66145.6176.2-63.4178.1-93.100109.8Y42 L43Q40-Y42 VanDerWaalsContact C-N 3.25Å; Q40-Y42 PolarHBondContact O-N 3.13Å; Q40-L43 HydrophobicContact CB-CD2 4.35Å
41E94.9Very high94.1Very high145 Ų14564.7 Ų64.768%0.67832%0.322SS*.SBendtrans-56.2-45.8174.9-176.7-175.5-18000110.5Y63E41-Y63 WeakPolarHBondContact O-CD1 3.34Å
42Y97.6Very high93.5Very high78 Ų7870.4 Ų70.431%0.30635%0.345SS..  trans-146.1159.7169.764.9-87.4000112.1Q40 E44 K61 I62 Y63Q40-Y42 VanDerWaalsContact C-N 3.25Å; Q40-Y42 PolarHBondContact O-N 3.13Å; Y42-E44 HydrophobicContact CD2-CB 4.08Å; Y42-E44 HydrophobicContact CE2-CB 3.97Å; Y42-K61 HydrophobicContact CD2-CB 4.36Å; Y42-K61 HydrophobicContact CD2-CD 3.74Å; Y42-K61 HydrophobicContact CD2-CG 3.95Å; Y42-K61 HydrophobicContact CE2-CD 3.84Å; Y42-K61 HydrophobicContact CE2-CG 4.31Å; Y42-K61 HydrophobicContact CG-CD 4.25Å; Y42-K61 PolarHBondContact OH-NZ 2.72Å; Y42-I62 CarbonylContact C-O 3.49Å; Y42-I62 WeakPolarHBondContact CA-O 3.25Å; Y42-I62 VanDerWaalsContact CB-O 3.24Å; Y42-I62 WeakPolarHBondContact CB-O 3.29Å; Y42-Y63 AromaticContact CD1-CE1 3.92Å; Y42-Y63 HydrophobicContact CD1-CE1 3.92Å; Y42-Y63 HydrophobicContact CG-CE1 4.1Å
43L97.7Very high92.8Very high24 Ų2477.4 Ų77.413%0.12638%0.382CS..EExtended strand (participates in β ladder)trans-102.5152.2161.4-57.6176.8000108.1W30 V32 Q40 K61 I62W30-L43 HydrophobicContact CH2-CB 3.6Å; W30-L43 HydrophobicContact CZ2-CB 3.69Å; V32-L43 HydrophobicContact CB-CD1 4.43Å; V32-L43 HydrophobicContact CG1-CD1 3.67Å; V32-L43 HydrophobicContact CG2-CD1 3.84Å; Q40-L43 HydrophobicContact CB-CD2 4.35Å; L43-K61 CarbonylContact O-C 3.56Å; L43-K61 VanDerWaalsContact O-CA 3.24Å; L43-K61 WeakPolarHBondContact O-CA 3.4Å; L43-I62 HydrophobicContact CB-CB 4.49Å; L43-I62 PolarHBondContact N-O 3.07Å; L43-I62 PolarHBondContact O-N 3.46Å
44E97.8Very high92.1Very high72 Ų7272.5 Ų72.534%0.33637%0.365SS..EExtended strand (participates in β ladder)trans-136137.4179.2-172.6167.6-15500111.9Y42 F46 S59 V60 K61Y42-E44 HydrophobicContact CD2-CB 4.08Å; Y42-E44 HydrophobicContact CE2-CB 3.97Å; E44-F46 HydrophobicContact CG-CE1 4.4Å; E44-F46 HydrophobicContact CG-CE2 4.08Å; E44-F46 HydrophobicContact CG-CZ 3.87Å; E44-S59 WeakPolarHBondContact CG-OG 3.19Å; E44-S59 VanDerWaalsContact OE1-CB 3.28Å; E44-S59 WeakPolarHBondContact OE1-CB 3.48Å; E44-S59 PolarHBondContact OE1-OG 2.94Å; E44-V60 CarbonylContact C-O 3.54Å; E44-V60 WeakPolarHBondContact CA-O 3.44Å; E44-K61 HydrophobicContact CB-CG 4.21Å; E44-K61 HydrophobicContact CG-CG 3.97Å; E44-K61 WeakPolarHBondContact OE1-CE 3.48Å; E44-K61 IonicContact OE1-NZ 3.72Å; E44-K61 WeakPolarHBondContact OE2-CE 3.45Å; E44-K61 IonicContact OE2-NZ 2.67Å
45S97.1Very high91.6Very high21 Ų2172.3 Ų72.315%0.14736%0.363CS..EExtended strand (participates in β ladder)trans-129.4162.2170.5-174.50000109.6H28 S59 V60H28-S45 PolarHBondContact NE2-OG 3.12Å; S45-S59 WeakPolarHBondContact O-CA 3.33Å; S45-V60 PolarHBondContact N-O 3.45Å; S45-V60 PolarHBondContact O-N 3.26Å
46F95.9Very high91.3Very high97 Ų9772.6 Ų72.643%0.42536%0.364SS..EExtended strand (participates in β ladder)trans-124.8140.5-177.9-62.3-85.5000111.7E44 W58 V82E44-F46 HydrophobicContact CG-CE1 4.4Å; E44-F46 HydrophobicContact CG-CE2 4.08Å; E44-F46 HydrophobicContact CG-CZ 3.87Å; F46-W58 CarbonylContact C-O 3.53Å; F46-W58 VanDerWaalsContact CA-O 3.28Å; F46-W58 WeakPolarHBondContact CA-O 3.47Å; F46-V82 HydrophobicContact CD1-CG2 4Å; F46-V82 HydrophobicContact CE1-CG2 4.05Å
47I95Very high91.2Very high5 Ų575.2 Ų75.23%0.02637%0.371CS..EExtended strand (participates in β ladder)trans-116.6137175.7-55.3174.7000107.3V26 H28 K57 W58 V60 T144 I146V26-I47 HydrophobicContact CG1-CG2 3.93Å; V26-I47 HydrophobicContact CG2-CG2 3.71Å; H28-I47 HydrophobicContact CB-CD1 3.51Å; H28-I47 HydrophobicContact CB-CG1 3.63Å; H28-I47 HydrophobicContact CB-CG2 4.38Å; I47-K57 CarbonylContact O-C 3.56Å; I47-K57 VanDerWaalsContact O-CA 3.3Å; I47-K57 WeakPolarHBondContact O-CA 3.41Å; I47-W58 HydrophobicContact CG2-CE3 4.46Å; I47-W58 PolarHBondContact N-O 3.03Å; I47-W58 PolarHBondContact O-N 2.97Å; I47-V60 HydrophobicContact CD1-CG2 3.58Å; I47-V60 HydrophobicContact CG1-CG2 4.14Å; I47-T144 HydrophobicContact CD1-CG2 3.58Å; I47-I146 HydrophobicContact CD1-CD1 4Å; I47-I146 HydrophobicContact CG2-CD1 4.3Å
48S92.9Very high91.2Very high57 Ų5769.7 Ų69.740%0.39935%0.345SS..EExtended strand (participates in β ladder)trans-130.5142.1176.4-64.50000110.7F56S48-F56 CarbonylContact C-O 3.55Å; S48-F56 VanDerWaalsContact CA-O 3.26Å; S48-F56 WeakPolarHBondContact CA-O 3.47Å
49L90.3Very high91.4Very high20 Ų2069.2 Ų69.211%0.10534%0.343CS..EExtended strand (participates in β ladder)trans-132.6108.3176176.663.7000108.4K24 V26 F56 W58 V148K24-L49 HydrophobicContact CB-CD2 4.02Å; V26-L49 HydrophobicContact CB-CB 4.44Å; V26-L49 HydrophobicContact CB-CD1 4.34Å; V26-L49 HydrophobicContact CG1-CB 4.41Å; L49-F56 HydrophobicContact CB-CB 4.39Å; L49-F56 HydrophobicContact CB-CD2 4.5Å; L49-F56 HydrophobicContact CD2-CD2 4.21Å; L49-F56 HydrophobicContact CG-CD2 4.39Å; L49-F56 PolarHBondContact N-O 2.92Å; L49-F56 PolarHBondContact O-N 2.94Å; L49-W58 HydrophobicContact CB-CH2 4.38Å; L49-W58 HydrophobicContact CB-CZ3 3.93Å; L49-V148 HydrophobicContact CD2-CB 4.22Å; L49-V148 HydrophobicContact CD2-CG2 3.79Å
50P86.6Confident91.7Very high44 Ų4461.9 Ų61.929%0.28631%0.309SS..EExtended strand (participates in β ladder)trans-63.9134.3170.3-20.133.1000111.3
51H83.8Confident91.9Very high22 Ų2257.8 Ų57.810%0.10229%0.289CS..EExtended strand (participates in β ladder)trans-153.6115.1174.3-178.454.1000111D53 T54 F56 V150H51-D53 PolarHBondContact O-N 3.39Å; H51-T54 CarbonylContact C-O 3.55Å; H51-T54 PolarHBondContact N-O 3.32Å; H51-T54 CarbonylContact O-C 3.58Å; H51-T54 PolarHBondContact O-N 3.49Å; H51-T54 PolarHBondContact O-OG1 3.42Å; H51-F56 HydrophobicContact CB-CD2 3.94Å; H51-F56 HydrophobicContact CB-CE2 3.44Å; H51-F56 VanDerWaalsContact CB-CE2 3.44Å; H51-F56 HydrophobicContact CB-CZ 4.24Å; H51-F56 AromaticContact CD2-CE2 3.57Å; H51-F56 AromaticContact CD2-CZ 3.7Å; H51-F56 AromaticContact CG-CE2 3.75Å; H51-V150 WeakPolarHBondContact NE2-CB 3.35Å
52E81.1Confident92Very high170 Ų17050.9 Ų50.979%0.79426%0.257SS*.THydrogen-bonded Turntrans53.4-127.6-175.3-57.6-179.6169.600110.5T54E52-T54 PolarHBondContact O-N 3.12Å
53D79.2Confident92Very high164 Ų16448.8 Ų48.888%0.87725%0.248SC*.THydrogen-bonded Turntrans-86.412.4178.5-61-39.2000113.1H51H51-D53 PolarHBondContact O-N 3.39Å
54T80.7Confident92Very high52 Ų5247.6 Ų47.632%0.31924%0.242SC..EExtended strand (participates in β ladder)trans-127.8155.8-175.473.20000112.4H51 E52H51-T54 CarbonylContact C-O 3.55Å; H51-T54 PolarHBondContact N-O 3.32Å; H51-T54 CarbonylContact O-C 3.58Å; H51-T54 PolarHBondContact O-N 3.49Å; H51-T54 PolarHBondContact O-OG1 3.42Å; E52-T54 PolarHBondContact O-N 3.12Å
55I85.9Confident91.9Very high98 Ų9848.2 Ų48.250%0.50324%0.244SC..EExtended strand (participates in β ladder)trans-118.9113.6169.1-58.5173.9000107Q84I55-Q84 PolarHBondContact O-NE2 3.3Å
56F89.9Confident91.8Very high7 Ų747.6 Ų47.63%0.03124%0.241CC..EExtended strand (participates in β ladder)trans-72.2133.4167.8-55.3-60000108.6S48 L49 H51 W58 T90 N92 V148S48-F56 CarbonylContact C-O 3.55Å; S48-F56 VanDerWaalsContact CA-O 3.26Å; S48-F56 WeakPolarHBondContact CA-O 3.47Å; L49-F56 HydrophobicContact CB-CB 4.39Å; L49-F56 HydrophobicContact CB-CD2 4.5Å; L49-F56 HydrophobicContact CD2-CD2 4.21Å; L49-F56 HydrophobicContact CG-CD2 4.39Å; L49-F56 PolarHBondContact N-O 2.92Å; L49-F56 PolarHBondContact O-N 2.94Å; H51-F56 HydrophobicContact CB-CD2 3.94Å; H51-F56 HydrophobicContact CB-CE2 3.44Å; H51-F56 VanDerWaalsContact CB-CE2 3.44Å; H51-F56 HydrophobicContact CB-CZ 4.24Å; H51-F56 AromaticContact CD2-CE2 3.57Å; H51-F56 AromaticContact CD2-CZ 3.7Å; H51-F56 AromaticContact CG-CE2 3.75Å; F56-W58 HydrophobicContact CB-CE3 4.41Å; F56-W58 HydrophobicContact CB-CH2 3.17Å; F56-W58 HydrophobicContact CB-CZ2 3.95Å; F56-W58 HydrophobicContact CB-CZ3 3.46Å; F56-W58 VanDerWaalsContact CB-CZ3 3.46Å; F56-W58 HydrophobicContact CD2-CH2 4.37Å; F56-W58 AromaticContact CG-CH2 3.98Å; F56-W58 HydrophobicContact CG-CH2 3.98Å; F56-T90 HydrophobicContact CD1-CG2 3.92Å; F56-T90 HydrophobicContact CE1-CG2 3.83Å; F56-N92 HydrophobicContact CE1-CB 4.21Å; F56-N92 WeakPolarHBondContact CE1-OD1 3.26Å; F56-N92 HydrophobicContact CZ-CB 4.19Å; F56-V148 HydrophobicContact CD2-CG1 4.15Å; F56-V148 HydrophobicContact CE2-CG1 3.92Å; F56-V148 HydrophobicContact CZ-CG1 4.36Å
57K93.5Very high91.7Very high90 Ų9046 Ų4639%0.39124%0.237SC..EExtended strand (participates in β ladder)trans-134135-179.1-170.3171.4-174.6177.20110.3I47 V82I47-K57 CarbonylContact O-C 3.56Å; I47-K57 VanDerWaalsContact O-CA 3.3Å; I47-K57 WeakPolarHBondContact O-CA 3.41Å; K57-V82 HydrophobicContact CB-CB 4.16Å; K57-V82 HydrophobicContact CB-CG2 4.46Å; K57-V82 HydrophobicContact CD-CB 4.36Å; K57-V82 HydrophobicContact CD-CG1 4.48Å; K57-V82 HydrophobicContact CD-CG2 4.37Å; K57-V82 HydrophobicContact CG-CB 4.08Å; K57-V82 HydrophobicContact CG-CG2 3.93Å; K57-V82 PolarHBondContact O-N 3.42Å
58W96.2Very high91.4Very high6 Ų647.5 Ų47.52%0.02325%0.253CS..EExtended strand (participates in β ladder)trans-123.3150.9173.9-60.6-98.7000110.8V26 F46 I47 L49 F56 L79 N80 F94 I146 V148V26-W58 HydrophobicContact CG1-CZ3 4.47Å; F46-W58 CarbonylContact C-O 3.53Å; F46-W58 VanDerWaalsContact CA-O 3.28Å; F46-W58 WeakPolarHBondContact CA-O 3.47Å; I47-W58 HydrophobicContact CG2-CE3 4.46Å; I47-W58 PolarHBondContact N-O 3.03Å; I47-W58 PolarHBondContact O-N 2.97Å; L49-W58 HydrophobicContact CB-CH2 4.38Å; L49-W58 HydrophobicContact CB-CZ3 3.93Å; F56-W58 HydrophobicContact CB-CE3 4.41Å; F56-W58 HydrophobicContact CB-CH2 3.17Å; F56-W58 HydrophobicContact CB-CZ2 3.95Å; F56-W58 HydrophobicContact CB-CZ3 3.46Å; F56-W58 VanDerWaalsContact CB-CZ3 3.46Å; F56-W58 HydrophobicContact CD2-CH2 4.37Å; F56-W58 AromaticContact CG-CH2 3.98Å; F56-W58 HydrophobicContact CG-CH2 3.98Å; W58-L79 HydrophobicContact CB-CD1 3.66Å; W58-L79 HydrophobicContact CB-CG 4.25Å; W58-L79 HydrophobicContact CG-CD1 4.15Å; W58-L79 HydrophobicContact CG-CG 4.35Å; W58-N80 CarbonylContact C-O 3.6Å; W58-N80 WeakPolarHBondContact CA-O 3.24Å; W58-F94 AromaticContact CD1-CE1 3.97Å; W58-F94 AromaticContact CD1-CZ 3.96Å; W58-F94 HydrophobicContact CZ2-CD1 4.2Å; W58-F94 AromaticContact NE1-CD1 3.52Å; W58-F94 AromaticContact NE1-CE1 3.17Å; W58-F94 AromaticContact NE1-CZ 3.53Å; W58-I146 HydrophobicContact CB-CD1 4.17Å; W58-I146 HydrophobicContact CD2-CD1 3.63Å; W58-I146 HydrophobicContact CE3-CD1 3.82Å; W58-I146 HydrophobicContact CG-CD1 3.79Å; W58-I146 HydrophobicContact CH2-CG2 4.33Å; W58-I146 HydrophobicContact CZ2-CG2 3.95Å; W58-I146 HydrophobicContact CZ3-CD1 4.47Å; W58-V148 HydrophobicContact CH2-CG2 3.48Å; W58-V148 VanDerWaalsContact CH2-CG2 3.48Å; W58-V148 HydrophobicContact CZ2-CG2 3.74Å
59S97.2Very high91.2Very high5 Ų551.1 Ų51.14%0.03527%0.268CS..EExtended strand (participates in β ladder)trans-102.5130.4166159.50000108.5E44 S45 L79 N80E44-S59 WeakPolarHBondContact CG-OG 3.19Å; E44-S59 VanDerWaalsContact OE1-CB 3.28Å; E44-S59 WeakPolarHBondContact OE1-CB 3.48Å; E44-S59 PolarHBondContact OE1-OG 2.94Å; S45-S59 WeakPolarHBondContact O-CA 3.33Å; S59-L79 CarbonylContact O-C 3.55Å; S59-L79 WeakPolarHBondContact O-CA 3.31Å; S59-N80 PolarHBondContact N-O 3.12Å; S59-N80 PolarHBondContact O-N 3.12Å
60V98.1Very high91.3Very high0 Ų055.1 Ų55.10%030%0.298CS..EExtended strand (participates in β ladder)trans-106.8119.6168.4-178.90000107.5W30 E44 S45 I47 C78 L79 F98 T144W30-V60 HydrophobicContact CE3-CG1 4.12Å; W30-V60 HydrophobicContact CZ3-CB 4.38Å; W30-V60 HydrophobicContact CZ3-CG1 4.03Å; W30-V60 WeakPolarHBondContact CZ3-O 3.47Å; E44-V60 CarbonylContact C-O 3.54Å; E44-V60 WeakPolarHBondContact CA-O 3.44Å; S45-V60 PolarHBondContact N-O 3.45Å; S45-V60 PolarHBondContact O-N 3.26Å; I47-V60 HydrophobicContact CD1-CG2 3.58Å; I47-V60 HydrophobicContact CG1-CG2 4.14Å; V60-C78 CarbonylContact C-O 3.48Å; V60-C78 WeakPolarHBondContact CA-O 3.26Å; V60-L79 HydrophobicContact CG2-CD1 3.57Å; V60-F98 HydrophobicContact CG1-CE1 3.69Å; V60-F98 HydrophobicContact CG1-CZ 3.96Å; V60-F98 HydrophobicContact CG2-CE1 4.16Å; V60-F98 HydrophobicContact CG2-CZ 4.49Å; V60-T144 HydrophobicContact CG2-CG2 4.3Å
61K98.2Very high91.6Very high37 Ų3755.4 Ų55.416%0.16130%0.297CS..EExtended strand (participates in β ladder)trans-110.9133.1176.1-67-173.7175.2-168.80111.3Y42 L43 E44 Y63 L77 C78Y42-K61 HydrophobicContact CD2-CB 4.36Å; Y42-K61 HydrophobicContact CD2-CD 3.74Å; Y42-K61 HydrophobicContact CD2-CG 3.95Å; Y42-K61 HydrophobicContact CE2-CD 3.84Å; Y42-K61 HydrophobicContact CE2-CG 4.31Å; Y42-K61 HydrophobicContact CG-CD 4.25Å; Y42-K61 PolarHBondContact OH-NZ 2.72Å; L43-K61 CarbonylContact O-C 3.56Å; L43-K61 VanDerWaalsContact O-CA 3.24Å; L43-K61 WeakPolarHBondContact O-CA 3.4Å; E44-K61 HydrophobicContact CB-CG 4.21Å; E44-K61 HydrophobicContact CG-CG 3.97Å; E44-K61 WeakPolarHBondContact OE1-CE 3.48Å; E44-K61 IonicContact OE1-NZ 3.72Å; E44-K61 WeakPolarHBondContact OE2-CE 3.45Å; E44-K61 IonicContact OE2-NZ 2.67Å; K61-Y63 HydrophobicContact CB-CD2 4.41Å; K61-Y63 HydrophobicContact CB-CE2 3.76Å; K61-Y63 HydrophobicContact CD-CE2 4.41Å; K61-L77 CarbonylContact O-C 3.57Å; K61-L77 WeakPolarHBondContact O-CA 3.41Å; K61-C78 HydrophobicContact CB-CB 4.48Å; K61-C78 PolarHBondContact N-O 2.96Å; K61-C78 PolarHBondContact O-N 3.17Å
62I98.1Very high92.1Very high0 Ų059.7 Ų59.70%032%0.315CS..EExtended strand (participates in β ladder)trans-104.3124.3167.4-41-169.2000107.9W30 V32 F35 Y42 L43 P64 V75 F76 L77 V142W30-I62 HydrophobicContact CD2-CD1 4.36Å; W30-I62 HydrophobicContact CE3-CD1 3.85Å; W30-I62 HydrophobicContact CE3-CG1 4.01Å; W30-I62 HydrophobicContact CH2-CD1 3.93Å; W30-I62 HydrophobicContact CH2-CG1 3.62Å; W30-I62 HydrophobicContact CZ2-CD1 4.41Å; W30-I62 HydrophobicContact CZ3-CD1 3.65Å; W30-I62 HydrophobicContact CZ3-CG1 3.32Å; V32-I62 HydrophobicContact CG2-CD1 3.98Å; F35-I62 HydrophobicContact CE2-CG2 3.88Å; F35-I62 HydrophobicContact CZ-CG2 4.33Å; Y42-I62 CarbonylContact C-O 3.49Å; Y42-I62 WeakPolarHBondContact CA-O 3.25Å; Y42-I62 VanDerWaalsContact CB-O 3.24Å; Y42-I62 WeakPolarHBondContact CB-O 3.29Å; L43-I62 HydrophobicContact CB-CB 4.49Å; L43-I62 PolarHBondContact N-O 3.07Å; L43-I62 PolarHBondContact O-N 3.46Å; I62-P64 WeakPolarHBondContact O-CD 3.45Å; I62-V75 HydrophobicContact CG2-CG1 3.92Å; I62-F76 CarbonylContact C-O 3.59Å; I62-F76 VanDerWaalsContact CA-O 3.31Å; I62-F76 WeakPolarHBondContact CA-O 3.47Å; I62-L77 HydrophobicContact CB-CD2 3.92Å; I62-L77 HydrophobicContact CD1-CD2 3.87Å; I62-L77 HydrophobicContact CG1-CD2 3.42Å; I62-L77 VanDerWaalsContact CG1-CD2 3.42Å; I62-L77 HydrophobicContact CG2-CD2 3.81Å; I62-V142 HydrophobicContact CD1-CG2 3.9Å
63Y97.8Very high92.8Very high33 Ų3357.1 Ų57.113%0.12931%0.307CS..EExtended strand (participates in β ladder)trans-103100.2169.1-62.9-98.8000108E41 Y42 K61 K65 N67 V75 F76 C78E41-Y63 WeakPolarHBondContact O-CD1 3.34Å; Y42-Y63 AromaticContact CD1-CE1 3.92Å; Y42-Y63 HydrophobicContact CD1-CE1 3.92Å; Y42-Y63 HydrophobicContact CG-CE1 4.1Å; K61-Y63 HydrophobicContact CB-CD2 4.41Å; K61-Y63 HydrophobicContact CB-CE2 3.76Å; K61-Y63 HydrophobicContact CD-CE2 4.41Å; Y63-K65 VanDerWaalsContact C-N 3.27Å; Y63-K65 PolarHBondContact O-N 3.38Å; Y63-N67 HydrophobicContact CD1-CB 3.94Å; Y63-N67 HydrophobicContact CD2-CB 4.04Å; Y63-N67 HydrophobicContact CE1-CB 4.27Å; Y63-N67 HydrophobicContact CE2-CB 4.37Å; Y63-N67 HydrophobicContact CG-CB 3.82Å; Y63-V75 WeakPolarHBondContact O-CA 3.34Å; Y63-F76 HydrophobicContact CD2-CB 4.14Å; Y63-F76 PolarHBondContact N-O 2.89Å; Y63-F76 PolarHBondContact O-N 3.5Å; Y63-C78 HydrophobicContact CE2-CB 4.33Å
64P97.2Very high93.7Very high0 Ų052.5 Ų52.50%028%0.278CS..THydrogen-bonded Turntrans-64.4-35.5-174.7-20.533.2000111.6F35 C38 I62 V75 R127F35-P64 HydrophobicContact CE1-CB 4.47Å; F35-P64 HydrophobicContact CE2-CB 3.95Å; F35-P64 HydrophobicContact CE2-CG 4.02Å; F35-P64 HydrophobicContact CZ-CB 3.74Å; F35-P64 HydrophobicContact CZ-CG 4.29Å; C38-P64 HydrophobicContact CB-CB 4.3Å; C38-P64 HydrophobicContact CB-CG 3.94Å; I62-P64 WeakPolarHBondContact O-CD 3.45Å; P64-V75 WeakPolarHBondContact O-CG2 3.17Å; P64-R127 VanDerWaalsContact C-NH1 3.34Å; P64-R127 WeakPolarHBondContact O-CD 3.41Å; P64-R127 PolarHBondContact O-NH1 3.48Å
65K95.9Very high94.5Very high85 Ų8550.1 Ų50.137%0.3726%0.263SS..THydrogen-bonded Turntrans-116.437.6-171.8-66176.4-177.4174.40112.8C38 H39 Y63 K72 R127C38-K65 VanDerWaalsContact O-CE 3.31Å; C38-K65 WeakPolarHBondContact O-CE 3.44Å; C38-K65 PolarHBondContact O-NZ 3.47Å; H39-K65 PolarHBondContact ND1-NZ 3.3Å; Y63-K65 VanDerWaalsContact C-N 3.27Å; Y63-K65 PolarHBondContact O-N 3.38Å; K65-K72 WeakPolarHBondContact O-CA 3.37Å; K65-R127 VanDerWaalsContact CG-NH1 3.32Å
66G94.9Very high95Very high8 Ų845.8 Ų45.88%0.08224%0.241CC..  trans85.3154.2-177.400000113.4G68 N71 Y74G66-G68 VanDerWaalsContact C-N 3.31Å; G66-N71 WeakPolarHBondContact CA-O 3.49Å; G66-Y74 VanDerWaalsContact CA-O 3.31Å; G66-Y74 WeakPolarHBondContact CA-O 3.21Å; G66-Y74 PolarHBondContact N-O 3.43Å
67N92.4Very high95.4Very high64 Ų6445.5 Ų45.534%0.34224%0.239SC..SBendtrans-93.921.8176.369.1-18.4000113.2Y63 N71 F76Y63-N67 HydrophobicContact CD1-CB 3.94Å; Y63-N67 HydrophobicContact CD2-CB 4.04Å; Y63-N67 HydrophobicContact CE1-CB 4.27Å; Y63-N67 HydrophobicContact CE2-CB 4.37Å; Y63-N67 HydrophobicContact CG-CB 3.82Å; N67-N71 PolarHBondContact OD1-ND2 3.01Å; N67-F76 HydrophobicContact CB-CB 4.49Å; N67-F76 HydrophobicContact CB-CD2 4.14Å; N67-F76 HydrophobicContact CB-CG 4.18Å; N67-F76 WeakPolarHBondContact OD1-CE2 3.16Å; N67-F76 WeakPolarHBondContact OD1-CZ 3.46Å
68G90.2Very high95.6Very high36 Ų3641.3 Ų41.337%0.37122%0.221SC..SBendtrans164.9168.9-17600000112.1G66 S70 N71G66-G68 VanDerWaalsContact C-N 3.31Å; G68-S70 VanDerWaalsContact C-N 3.3Å; G68-S70 PolarHBondContact O-N 2.88Å; G68-N71 PolarHBondContact O-N 2.99Å
69D88.5Confident95.7Very high132 Ų13241 Ų4171%0.70622%0.22SC*.G310 helixtrans-63.5-32.2-169.4-84.8-47.3000114.7N71 K72D69-N71 VanDerWaalsContact C-N 3.27Å; D69-N71 PolarHBondContact O-N 3.32Å; D69-K72 WeakPolarHBondContact O-CE 3.2Å; D69-K72 WeakPolarHBondContact OD1-CE 3.04Å; D69-K72 IonicContact OD1-NZ 3.3Å; D69-K72 PolarHBondContact OD1-NZ 3.44Å
70S90.9Very high95.6Very high104 Ų10442.7 Ų42.773%0.72723%0.229SC*.G310 helixtrans-77.3-11.7178.759.50000113.8G68G68-S70 VanDerWaalsContact C-N 3.3Å; G68-S70 PolarHBondContact O-N 2.88Å
71N93.5Very high95.4Very high50 Ų5046.3 Ų46.327%0.26724%0.242SC..G310 helixtrans-119.120.4-166.4-56-21000112.9G66 N67 G68 D69 D73 Y74 F76G66-N71 WeakPolarHBondContact CA-O 3.49Å; N67-N71 PolarHBondContact OD1-ND2 3.01Å; G68-N71 PolarHBondContact O-N 2.99Å; D69-N71 VanDerWaalsContact C-N 3.27Å; D69-N71 PolarHBondContact O-N 3.32Å; N71-D73 PolarHBondContact O-N 2.9Å; N71-D73 VanDerWaalsContact O-N 3.1Å; N71-Y74 PolarHBondContact O-N 3.42Å; N71-Y74 VanDerWaalsContact O-N 3.08Å; N71-F76 HydrophobicContact CB-CE2 3.6Å; N71-F76 HydrophobicContact CB-CZ 3.76Å
72K94.8Very high95.1Very high112 Ų11246.7 Ų46.749%0.48725%0.248SC..THydrogen-bonded Turntrans-59-25.2-173.3-69.5179.9-172.2179.60114.6K65 D69 Y74 R127K65-K72 WeakPolarHBondContact O-CA 3.37Å; D69-K72 WeakPolarHBondContact O-CE 3.2Å; D69-K72 WeakPolarHBondContact OD1-CE 3.04Å; D69-K72 IonicContact OD1-NZ 3.3Å; D69-K72 PolarHBondContact OD1-NZ 3.44Å; K72-Y74 PolarHBondContact O-N 3.32Å; K72-R127 WeakPolarHBondContact O-CD 3.37Å
73D95.7Very high94.5Very high117 Ų11752.3 Ų52.363%0.62628%0.284SS*.THydrogen-bonded Turntrans-80.10.8-179.3-59.1-37.4000113.7N71 K126 R127N71-D73 PolarHBondContact O-N 2.9Å; N71-D73 VanDerWaalsContact O-N 3.1Å; D73-K126 CarbonylContact O-C 3.58Å; D73-K126 WeakPolarHBondContact O-CA 3.43Å; D73-R127 WeakPolarHBondContact O-CB 3.48Å; D73-R127 WeakPolarHBondContact O-CG 3.46Å; D73-R127 PolarHBondContact O-N 3.22Å
74Y97.5Very high93.4Very high67 Ų6754.4 Ų54.426%0.26330%0.295SS..EExtended strand (participates in β ladder)trans-120.8150.6-173.6-63.6-92.5000112.6G66 N71 K72 F76 Y124 V125 K126G66-Y74 VanDerWaalsContact CA-O 3.31Å; G66-Y74 WeakPolarHBondContact CA-O 3.21Å; G66-Y74 PolarHBondContact N-O 3.43Å; N71-Y74 PolarHBondContact O-N 3.42Å; N71-Y74 VanDerWaalsContact O-N 3.08Å; K72-Y74 PolarHBondContact O-N 3.32Å; Y74-F76 VanDerWaalsContact CB-CE2 3.49Å; Y74-F76 HydrophobicContact CG-CE2 4.4Å; Y74-Y124 AromaticContact CD1-CD2 3.72Å; Y74-Y124 HydrophobicContact CD1-CD2 3.72Å; Y74-Y124 HydrophobicContact CD1-CE2 4.4Å; Y74-Y124 AromaticContact CE1-CD2 3.97Å; Y74-Y124 HydrophobicContact CE1-CD2 3.97Å; Y74-Y124 HydrophobicContact CE1-CE2 4.19Å; Y74-V125 CarbonylContact C-O 3.47Å; Y74-V125 VanDerWaalsContact CA-O 3.3Å; Y74-V125 WeakPolarHBondContact CA-O 3.35Å; Y74-K126 HydrophobicContact CD1-CB 4.35Å; Y74-K126 HydrophobicContact CD1-CG 3.78Å; Y74-K126 HydrophobicContact CE1-CB 4.33Å; Y74-K126 HydrophobicContact CE1-CD 4.4Å; Y74-K126 HydrophobicContact CE1-CG 3.3Å
75V97.7Very high92Very high1 Ų160.2 Ų60.21%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-94.4130.9161.3-178.90000107.5F35 I62 Y63 P64 M100 Y124 V125 R127 V130F35-V75 HydrophobicContact CE1-CG2 4.07Å; F35-V75 HydrophobicContact CZ-CG1 3.85Å; F35-V75 HydrophobicContact CZ-CG2 3.97Å; I62-V75 HydrophobicContact CG2-CG1 3.92Å; Y63-V75 WeakPolarHBondContact O-CA 3.34Å; P64-V75 WeakPolarHBondContact O-CG2 3.17Å; V75-M100 HydrophobicContact CG1-CE 4.19Å; V75-Y124 VanDerWaalsContact O-CA 3.24Å; V75-Y124 WeakPolarHBondContact O-CA 3.35Å; V75-V125 HydrophobicContact CB-CG1 4.1Å; V75-V125 PolarHBondContact N-O 3.44Å; V75-V125 PolarHBondContact O-N 2.78Å; V75-R127 HydrophobicContact CG2-CG 3.83Å; V75-V130 HydrophobicContact CG2-CB 4.49Å; V75-V130 HydrophobicContact CG2-CG2 4.06Å
76F97.6Very high90.5Very high8 Ų865.4 Ų65.44%0.03536%0.358CS..EExtended strand (participates in β ladder)trans-112.4144.2173.5-69-103.1000111.4I62 Y63 N67 N71 Y74 V122 T123 Y124I62-F76 CarbonylContact C-O 3.59Å; I62-F76 VanDerWaalsContact CA-O 3.31Å; I62-F76 WeakPolarHBondContact CA-O 3.47Å; Y63-F76 HydrophobicContact CD2-CB 4.14Å; Y63-F76 PolarHBondContact N-O 2.89Å; Y63-F76 PolarHBondContact O-N 3.5Å; N67-F76 HydrophobicContact CB-CB 4.49Å; N67-F76 HydrophobicContact CB-CD2 4.14Å; N67-F76 HydrophobicContact CB-CG 4.18Å; N67-F76 WeakPolarHBondContact OD1-CE2 3.16Å; N67-F76 WeakPolarHBondContact OD1-CZ 3.46Å; N71-F76 HydrophobicContact CB-CE2 3.6Å; N71-F76 HydrophobicContact CB-CZ 3.76Å; Y74-F76 VanDerWaalsContact CB-CE2 3.49Å; Y74-F76 HydrophobicContact CG-CE2 4.4Å; F76-V122 HydrophobicContact CD1-CG1 3.88Å; F76-T123 WeakPolarHBondContact CA-O 3.48Å; F76-Y124 HydrophobicContact CD1-CG 4.44Å; F76-Y124 HydrophobicContact CE1-CD1 4.37Å; F76-Y124 HydrophobicContact CE1-CG 4.03Å
77L98.1Very high88.7Confident0 Ų066.7 Ų66.70%037%0.371CS..EExtended strand (participates in β ladder)trans-114.6126.9161-62.2176.6000109K61 I62 F98 M100 M110 V122 T123 V142K61-L77 CarbonylContact O-C 3.57Å; K61-L77 WeakPolarHBondContact O-CA 3.41Å; I62-L77 HydrophobicContact CB-CD2 3.92Å; I62-L77 HydrophobicContact CD1-CD2 3.87Å; I62-L77 HydrophobicContact CG1-CD2 3.42Å; I62-L77 VanDerWaalsContact CG1-CD2 3.42Å; I62-L77 HydrophobicContact CG2-CD2 3.81Å; L77-F98 HydrophobicContact CB-CD2 3.67Å; L77-F98 HydrophobicContact CB-CE2 3.69Å; L77-F98 HydrophobicContact CB-CG 4.13Å; L77-F98 HydrophobicContact CB-CZ 4.16Å; L77-F98 HydrophobicContact CD1-CB 3.76Å; L77-F98 HydrophobicContact CD1-CD1 4.14Å; L77-F98 HydrophobicContact CD1-CD2 4.15Å; L77-F98 HydrophobicContact CD1-CG 3.78Å; L77-M100 HydrophobicContact CD1-CE 3.92Å; L77-M100 HydrophobicContact CD2-CE 4.43Å; L77-M100 HydrophobicContact CG-CE 4.13Å; L77-M110 HydrophobicContact CB-CE 4.34Å; L77-M110 HydrophobicContact CD1-CE 3.67Å; L77-M110 HydrophobicContact CD1-SD 3.76Å; L77-M110 HydrophobicContact CG-CE 3.8Å; L77-V122 WeakPolarHBondContact O-CA 3.49Å; L77-T123 PolarHBondContact N-O 3.31Å; L77-T123 PolarHBondContact O-N 3.32Å; L77-V142 HydrophobicContact CD1-CG1 3.6Å; L77-V142 HydrophobicContact CD1-CG2 4.11Å; L77-V142 HydrophobicContact CD2-CG1 4.2Å; L77-V142 HydrophobicContact CD2-CG2 4.08Å
78C97.8Very high87.1Confident3 Ų372.9 Ų72.92%0.0240%0.395CS..EExtended strand (participates in β ladder)trans-123133.8178.8-580000110.2V60 K61 Y63 Y121 V122V60-C78 CarbonylContact C-O 3.48Å; V60-C78 WeakPolarHBondContact CA-O 3.26Å; K61-C78 HydrophobicContact CB-CB 4.48Å; K61-C78 PolarHBondContact N-O 2.96Å; K61-C78 PolarHBondContact O-N 3.17Å; Y63-C78 HydrophobicContact CE2-CB 4.33Å; C78-Y121 CarbonylContact C-O 3.58Å; C78-Y121 WeakPolarHBondContact CA-O 3.42Å; C78-V122 HydrophobicContact CB-CG2 4.35Å
79L97.6Very high85.6Confident0 Ų076.4 Ų76.40%041%0.412CS..EExtended strand (participates in β ladder)trans-108.5135170.9-170.675.3000109.8W58 S59 V60 F94 A96 F98 D120 Y121 T144 I146W58-L79 HydrophobicContact CB-CD1 3.66Å; W58-L79 HydrophobicContact CB-CG 4.25Å; W58-L79 HydrophobicContact CG-CD1 4.15Å; W58-L79 HydrophobicContact CG-CG 4.35Å; S59-L79 CarbonylContact O-C 3.55Å; S59-L79 WeakPolarHBondContact O-CA 3.31Å; V60-L79 HydrophobicContact CG2-CD1 3.57Å; L79-F94 HydrophobicContact CD2-CD2 4.48Å; L79-F94 HydrophobicContact CD2-CE2 3.61Å; L79-F94 HydrophobicContact CD2-CZ 3.98Å; L79-A96 HydrophobicContact CD2-CB 3.43Å; L79-A96 VanDerWaalsContact CD2-CB 3.43Å; L79-F98 HydrophobicContact CB-CE2 4.27Å; L79-F98 HydrophobicContact CB-CZ 3.82Å; L79-F98 HydrophobicContact CD1-CZ 4.43Å; L79-D120 PolarHBondContact O-N 3.26Å; L79-Y121 PolarHBondContact N-O 2.93Å; L79-Y121 PolarHBondContact O-N 2.5Å; L79-T144 HydrophobicContact CD1-CG2 4.43Å; L79-I146 HydrophobicContact CD1-CD1 3.94Å; L79-I146 HydrophobicContact CD2-CD1 3.94Å; L79-I146 HydrophobicContact CD2-CG1 4.16Å
80N95.5Very high84.5Confident39 Ų3972 Ų7221%0.20939%0.389CS..EExtended strand (participates in β ladder)trans-139.3136.9177.1-71.1-80.1000110.9W58 S59 V82 H118 S119 D120W58-N80 CarbonylContact C-O 3.6Å; W58-N80 WeakPolarHBondContact CA-O 3.24Å; S59-N80 PolarHBondContact N-O 3.12Å; S59-N80 PolarHBondContact O-N 3.12Å; N80-V82 PolarHBondContact O-N 3.19Å; N80-H118 PolarHBondContact OD1-O 2.77Å; N80-S119 PolarHBondContact ND2-OG 3.45Å; N80-S119 WeakPolarHBondContact OD1-CA 3.07Å; N80-S119 WeakPolarHBondContact OD1-CB 3.4Å; N80-S119 PolarHBondContact OD1-OG 3.06Å; N80-D120 WeakPolarHBondContact CA-OD2 3.12Å
81R93.3Very high83.6Confident77 Ų7776 Ų7629%0.29139%0.393SS..EExtended strand (participates in β ladder)trans-61.7134.5164.5-62.4174.9-152.7-132.2-16.6109.3P83 T90 N92 F94 D120R81-P83 WeakPolarHBondContact O-CD 3.31Å; R81-T90 PolarHBondContact NH1-O 3.31Å; R81-N92 VanDerWaalsContact CZ-O 3.22Å; R81-N92 PolarHBondContact NH1-O 2.92Å; R81-N92 PolarHBondContact NH2-O 3.28Å; R81-F94 HydrophobicContact CG-CE1 3.75Å; R81-F94 VanDerWaalsContact NE-CE1 3.26Å; R81-F94 VanDerWaalsContact NH2-CE1 3.29Å; R81-D120 WeakPolarHBondContact CG-OD2 3.39Å; R81-D120 PolarHBondContact N-OD2 2.95Å; R81-D120 IonicContact NE-OD1 3.4Å
82V91.8Very high83.2Confident45 Ų4575.7 Ų75.727%0.27339%0.392SS..PPolyproline II helixtrans-82.3121.9172-179.80000108.5F46 K57 N80 Q84F46-V82 HydrophobicContact CD1-CG2 4Å; F46-V82 HydrophobicContact CE1-CG2 4.05Å; K57-V82 HydrophobicContact CB-CB 4.16Å; K57-V82 HydrophobicContact CB-CG2 4.46Å; K57-V82 HydrophobicContact CD-CB 4.36Å; K57-V82 HydrophobicContact CD-CG1 4.48Å; K57-V82 HydrophobicContact CD-CG2 4.37Å; K57-V82 HydrophobicContact CG-CB 4.08Å; K57-V82 HydrophobicContact CG-CG2 3.93Å; K57-V82 PolarHBondContact O-N 3.42Å; N80-V82 PolarHBondContact O-N 3.19Å; V82-Q84 PolarHBondContact O-N 3.05Å
83P84.9Confident83Confident117 Ų11773.7 Ų73.776%0.7639%0.392SS*.PPolyproline II helixtrans-60.4134.2176.1-22.133.1000111.4R81R81-P83 WeakPolarHBondContact O-CD 3.31Å
84Q75Confident82.9Confident77 Ų7769.6 Ų69.636%0.3637%0.369SS..PPolyproline II helixtrans-81.9134.9173.4-65.6-176.417.900110.1I55 V82 H86I55-Q84 PolarHBondContact O-NE2 3.3Å; V82-Q84 PolarHBondContact O-N 3.05Å; Q84-H86 VanDerWaalsContact C-N 3.25Å; Q84-H86 PolarHBondContact O-N 3.34Å
85P67.5Low82.8Confident122 Ų12274.4 Ų74.479%0.79239%0.391SS*.THydrogen-bonded Turntrans-62.9-24.8-173.219.7-30.1000114.7
86H66.3Low82.8Confident194 Ų19475.2 Ų75.290%0.89840%0.398SS*.THydrogen-bonded Turntrans-13613.3-178.3-62.4-56.5000114.3Q84Q84-H86 VanDerWaalsContact C-N 3.25Å; Q84-H86 PolarHBondContact O-N 3.34Å
87G56.1Low82.7Confident35 Ų3578.4 Ų78.436%0.36142%0.415SS..SBendtrans-98.6148.4-174.900000113.3
88K58.6Low82.7Confident195 Ų19579 Ų7985%0.84842%0.418SS*.PPolyproline II helixtrans-54.9143.7158.2-74.1178.2-179.51730108T90K88-T90 PolarHBondContact O-N 3.14Å; K88-T90 VanDerWaalsContact O-N 3.1Å
89P59.5Low82.7Confident110 Ų11081 Ų8171%0.71443%0.43SS*.PPolyproline II helixtrans-55.3122.5174.421.4-31000109.4K91P89-K91 PolarHBondContact O-N 2.88Å; P89-K91 VanDerWaalsContact O-N 3.09Å
90T65.4Low82.7Confident38 Ų3881 Ų8123%0.23343%0.43CS..  trans-63.3110.717446.50000108.3F56 R81 K88 N92F56-T90 HydrophobicContact CD1-CG2 3.92Å; F56-T90 HydrophobicContact CE1-CG2 3.83Å; R81-T90 PolarHBondContact NH1-O 3.31Å; K88-T90 PolarHBondContact O-N 3.14Å; K88-T90 VanDerWaalsContact O-N 3.1Å; T90-N92 VanDerWaalsContact C-N 3.34Å
91K71.3Confident82.7Confident188 Ų18881.3 Ų81.382%0.81743%0.43SS*.  trans-86.1-1.2-174.6-71.5-171.8178.5-1770114.1P89 S93P89-K91 PolarHBondContact O-N 2.88Å; P89-K91 VanDerWaalsContact O-N 3.09Å; K91-S93 PolarHBondContact O-N 3.1Å
92N84.7Confident82.5Confident45 Ų4578.2 Ų78.224%0.24142%0.419CS..  trans-54.8126.2-179-6276.9000110.2F56 R81 T90 V148 V149F56-N92 HydrophobicContact CE1-CB 4.21Å; F56-N92 WeakPolarHBondContact CE1-OD1 3.26Å; F56-N92 HydrophobicContact CZ-CB 4.19Å; R81-N92 VanDerWaalsContact CZ-O 3.22Å; R81-N92 PolarHBondContact NH1-O 2.92Å; R81-N92 PolarHBondContact NH2-O 3.28Å; T90-N92 VanDerWaalsContact C-N 3.34Å; N92-V148 HydrophobicContact CB-CG1 3.95Å; N92-V149 WeakPolarHBondContact CB-O 3.19Å; N92-V149 PolarHBondContact ND2-O 3.05Å
93S90.8Very high82.4Confident69 Ų6979.4 Ų79.448%0.48343%0.426SS..  trans-70148.1171.456.80000108.6K91 V149K91-S93 PolarHBondContact O-N 3.1Å; S93-V149 PolarHBondContact O-N 3.4Å; S93-V149 WeakPolarHBondContact OG-CB 3.3Å; S93-V149 VanDerWaalsContact OG-CG2 3.31Å; S93-V149 WeakPolarHBondContact OG-CG2 3.24Å
94F94.4Very high82.5Confident32 Ų3280.4 Ų80.414%0.1443%0.425CS..EExtended strand (participates in β ladder)trans-140.1156.6171.771.3-103.9000110.4W58 L79 R81 A96 D120 I146 D147 V148W58-F94 AromaticContact CD1-CE1 3.97Å; W58-F94 AromaticContact CD1-CZ 3.96Å; W58-F94 HydrophobicContact CZ2-CD1 4.2Å; W58-F94 AromaticContact NE1-CD1 3.52Å; W58-F94 AromaticContact NE1-CE1 3.17Å; W58-F94 AromaticContact NE1-CZ 3.53Å; L79-F94 HydrophobicContact CD2-CD2 4.48Å; L79-F94 HydrophobicContact CD2-CE2 3.61Å; L79-F94 HydrophobicContact CD2-CZ 3.98Å; R81-F94 HydrophobicContact CG-CE1 3.75Å; R81-F94 VanDerWaalsContact NE-CE1 3.26Å; R81-F94 VanDerWaalsContact NH2-CE1 3.29Å; F94-A96 HydrophobicContact CD2-CB 4.14Å; F94-A96 HydrophobicContact CE2-CB 3.98Å; F94-D120 HydrophobicContact CE1-CB 4.31Å; F94-D120 HydrophobicContact CE2-CB 4.36Å; F94-D120 HydrophobicContact CZ-CB 3.52Å; F94-I146 HydrophobicContact CB-CG2 3.97Å; F94-I146 HydrophobicContact CD2-CG2 3.86Å; F94-I146 HydrophobicContact CG-CG2 4.03Å; F94-D147 CarbonylContact C-O 3.55Å; F94-D147 WeakPolarHBondContact CA-O 3.44Å; F94-D147 WeakPolarHBondContact CB-O 3.4Å; F94-V148 HydrophobicContact CB-CG2 4.24Å
95K95.3Very high83.2Confident167 Ų16778.3 Ų78.373%0.72642%0.424SS*.EExtended strand (participates in β ladder)trans-112.2144163.5-67.9-176.7178.4178.70108.4I146 D147K95-I146 CarbonylContact O-C 3.58Å; K95-I146 WeakPolarHBondContact O-CA 3.44Å; K95-D147 HydrophobicContact CB-CB 4.44Å; K95-D147 PolarHBondContact N-O 3.03Å; K95-D147 PolarHBondContact O-N 3.15Å
96A96.5Very high84.3Confident19 Ų1976.6 Ų76.616%0.15741%0.408CS..EExtended strand (participates in β ladder)trans-131.1155.1178.300000110.8L79 F94 Y121 T145 I146L79-A96 HydrophobicContact CD2-CB 3.43Å; L79-A96 VanDerWaalsContact CD2-CB 3.43Å; F94-A96 HydrophobicContact CD2-CB 4.14Å; F94-A96 HydrophobicContact CE2-CB 3.98Å; A96-Y121 HydrophobicContact CB-CD1 3.86Å; A96-Y121 HydrophobicContact CB-CE1 4.36Å; A96-Y121 HydrophobicContact CB-CG 4.09Å; A96-T145 CarbonylContact C-O 3.59Å; A96-T145 VanDerWaalsContact CA-O 3.24Å; A96-T145 WeakPolarHBondContact CA-O 3.29Å; A96-I146 HydrophobicContact CB-CG1 4.36Å
97N97.2Very high85.7Confident75 Ų7570.6 Ų70.640%0.40139%0.385SS..EExtended strand (participates in β ladder)trans-143.1141.4173.7-175.457.6000110.3V99 T144 T145N97-V99 WeakPolarHBondContact ND2-CG2 3.24Å; N97-T144 WeakPolarHBondContact O-CA 3.37Å; N97-T145 PolarHBondContact N-O 2.95Å; N97-T145 PolarHBondContact O-N 3.17Å
98F98.1Very high87.5Confident11 Ų1169 Ų695%0.04837%0.368CS..EExtended strand (participates in β ladder)trans-111.2138.5169.8-67.3-57.9000110V60 L77 L79 Y121 T123 V142 F143 T144V60-F98 HydrophobicContact CG1-CE1 3.69Å; V60-F98 HydrophobicContact CG1-CZ 3.96Å; V60-F98 HydrophobicContact CG2-CE1 4.16Å; V60-F98 HydrophobicContact CG2-CZ 4.49Å; L77-F98 HydrophobicContact CB-CD2 3.67Å; L77-F98 HydrophobicContact CB-CE2 3.69Å; L77-F98 HydrophobicContact CB-CG 4.13Å; L77-F98 HydrophobicContact CB-CZ 4.16Å; L77-F98 HydrophobicContact CD1-CB 3.76Å; L77-F98 HydrophobicContact CD1-CD1 4.14Å; L77-F98 HydrophobicContact CD1-CD2 4.15Å; L77-F98 HydrophobicContact CD1-CG 3.78Å; L79-F98 HydrophobicContact CB-CE2 4.27Å; L79-F98 HydrophobicContact CB-CZ 3.82Å; L79-F98 HydrophobicContact CD1-CZ 4.43Å; F98-Y121 AromaticContact CD2-CD1 3.69Å; F98-Y121 HydrophobicContact CD2-CD1 3.69Å; F98-Y121 AromaticContact CD2-CE1 3.43Å; F98-Y121 HydrophobicContact CD2-CE1 3.43Å; F98-Y121 VanDerWaalsContact CD2-CE1 3.43Å; F98-Y121 AromaticContact CE2-CD1 3.57Å; F98-Y121 HydrophobicContact CE2-CD1 3.57Å; F98-Y121 AromaticContact CE2-CE1 3.85Å; F98-Y121 HydrophobicContact CE2-CE1 3.85Å; F98-Y121 HydrophobicContact CG-CE1 4.14Å; F98-Y121 HydrophobicContact CZ-CD1 4.41Å; F98-T123 HydrophobicContact CB-CG2 4.47Å; F98-T123 HydrophobicContact CD2-CG2 3.95Å; F98-T123 WeakPolarHBondContact CD2-OG1 3.49Å; F98-V142 HydrophobicContact CD1-CG1 4.1Å; F98-F143 CarbonylContact C-O 3.59Å; F98-F143 WeakPolarHBondContact CA-O 3.25Å; F98-T144 HydrophobicContact CD1-CG2 3.83Å; F98-T144 WeakPolarHBondContact CD1-OG1 3.46Å; F98-T144 HydrophobicContact CE1-CG2 3.49Å; F98-T144 VanDerWaalsContact CE1-CG2 3.49Å; F98-T144 VanDerWaalsContact CE1-OG1 3.26Å; F98-T144 WeakPolarHBondContact CE1-OG1 2.99Å; F98-T144 HydrophobicContact CZ-CG2 4.46Å
99V96.9Very high89.2Confident45 Ų4565.6 Ų65.627%0.27336%0.36SS..EExtended strand (participates in β ladder)trans-125.1126.6167.3-178.90000107.6N97 Q101 T107 V142 F143N97-V99 WeakPolarHBondContact ND2-CG2 3.24Å; V99-Q101 HydrophobicContact CG1-CG 4.18Å; V99-T107 HydrophobicContact CG1-CG2 3.95Å; V99-V142 CarbonylContact O-C 3.57Å; V99-V142 WeakPolarHBondContact O-CA 3.44Å; V99-F143 HydrophobicContact CB-CB 4.28Å; V99-F143 PolarHBondContact N-O 3.3Å; V99-F143 PolarHBondContact O-N 2.89Å
100M97.2Very high90.9Very high0 Ų062.2 Ų62.20%034%0.335CS..EExtended strand (participates in β ladder)trans-106.5131.2178.4-176.6177.9-74.100109.1V75 L77 T107 I108 M110 V125 V130 L140 A141 V142V75-M100 HydrophobicContact CG1-CE 4.19Å; L77-M100 HydrophobicContact CD1-CE 3.92Å; L77-M100 HydrophobicContact CD2-CE 4.43Å; L77-M100 HydrophobicContact CG-CE 4.13Å; M100-T107 CarbonylContact O-C 3.58Å; M100-T107 WeakPolarHBondContact O-CA 3Å; M100-I108 HydrophobicContact CB-CB 4.18Å; M100-I108 HydrophobicContact CG-CB 4.04Å; M100-I108 HydrophobicContact CG-CD1 4.05Å; M100-I108 HydrophobicContact CG-CG1 4.31Å; M100-I108 PolarHBondContact O-N 2.87Å; M100-I108 HydrophobicContact SD-CB 4.21Å; M100-I108 HydrophobicContact SD-CD1 4.16Å; M100-I108 HydrophobicContact SD-CG2 4.23Å; M100-M110 HydrophobicContact CB-CG 4.32Å; M100-M110 HydrophobicContact CB-SD 3.71Å; M100-M110 HydrophobicContact CE-CE 3.73Å; M100-M110 HydrophobicContact CE-SD 3.89Å; M100-M110 HydrophobicContact SD-SD 4.36Å; M100-V125 HydrophobicContact SD-CG1 4.24Å; M100-V130 HydrophobicContact SD-CG2 4.33Å; M100-L140 HydrophobicContact CE-CD2 4.05Å; M100-L140 HydrophobicContact CG-CD1 3.51Å; M100-L140 HydrophobicContact CG-CD2 4.46Å; M100-L140 HydrophobicContact CG-CG 4.1Å; M100-L140 HydrophobicContact SD-CD1 3.71Å; M100-L140 HydrophobicContact SD-CD2 4.17Å; M100-L140 HydrophobicContact SD-CG 4.36Å; M100-A141 CarbonylContact C-O 3.54Å; M100-A141 WeakPolarHBondContact CA-O 3.48Å; M100-V142 HydrophobicContact CE-CG2 4.37Å
101Q96.2Very high92.3Very high47 Ų4769 Ų6922%0.2236%0.356CS..EExtended strand (participates in β ladder)trans-133.5150.6-178.8-71.6179.6-19.800112.1V99 G105 D106 A141 F143V99-Q101 HydrophobicContact CG1-CG 4.18Å; Q101-G105 PolarHBondContact NE2-O 3.35Å; Q101-D106 VanDerWaalsContact CA-O 3.25Å; Q101-D106 WeakPolarHBondContact CA-O 3.43Å; Q101-A141 PolarHBondContact N-O 2.77Å; Q101-A141 PolarHBondContact O-N 2.84Å; Q101-F143 HydrophobicContact CB-CE2 4.25Å; Q101-F143 HydrophobicContact CG-CE2 4.33Å
102N89.7Confident93.4Very high12 Ų1263.9 Ų63.96%0.06434%0.341CS..  trans-82.5-174.5167.571.47.1000111.1L104 G105 D106 K133 I134N102-L104 PolarHBondContact O-N 2.99Å; N102-L104 WeakPolarHBondContact OD1-CA 3.47Å; N102-L104 WeakPolarHBondContact OD1-CB 3.28Å; N102-L104 PolarHBondContact OD1-N 3.2Å; N102-G105 PolarHBondContact O-N 3.35Å; N102-G105 PolarHBondContact OD1-N 2.81Å; N102-G105 VanDerWaalsContact OD1-N 3.12Å; N102-D106 PolarHBondContact N-O 2.76Å; N102-D106 VanDerWaalsContact N-O 3.14Å; N102-D106 PolarHBondContact ND2-OD2 3.09Å; N102-D106 WeakPolarHBondContact OD1-CB 3.43Å; N102-D106 PolarHBondContact OD1-N 2.84Å; N102-K133 WeakPolarHBondContact CB-O 3.4Å; N102-K133 PolarHBondContact ND2-O 2.63Å; N102-K133 VanDerWaalsContact ND2-O 3.12Å; N102-I134 HydrophobicContact CB-CG2 4.29Å
103V88.9Confident93.6Very high69 Ų6965.1 Ų65.142%0.41835%0.345SS..THydrogen-bonded Turntrans-64.6-24.4179.171.10000114G105 Q137 F139V103-G105 VanDerWaalsContact C-N 3.31Å; V103-Q137 HydrophobicContact CB-CB 4.5Å; V103-Q137 HydrophobicContact CG1-CB 3.97Å; V103-Q137 HydrophobicContact CG1-CG 3.98Å; V103-F139 HydrophobicContact CB-CB 4.08Å; V103-F139 HydrophobicContact CB-CD1 3.93Å; V103-F139 HydrophobicContact CB-CG 4.13Å; V103-F139 HydrophobicContact CG2-CD1 4.29Å; V103-F139 HydrophobicContact CG2-CG 4.28Å
104L88.2Confident93.3Very high138 Ų13867.2 Ų67.272%0.72336%0.357SS*.THydrogen-bonded Turntrans-84.6-6.7179-61-179.2000112.7N102 D106N102-L104 PolarHBondContact O-N 2.99Å; N102-L104 WeakPolarHBondContact OD1-CA 3.47Å; N102-L104 WeakPolarHBondContact OD1-CB 3.28Å; N102-L104 PolarHBondContact OD1-N 3.2Å; L104-D106 VanDerWaalsContact C-N 3.35Å
105G89.2Confident92.8Very high34 Ų3469.7 Ų69.735%0.35138%0.378SS..  trans85.83.7-173.900000114Q101 N102 V103 T107Q101-G105 PolarHBondContact NE2-O 3.35Å; N102-G105 PolarHBondContact O-N 3.35Å; N102-G105 PolarHBondContact OD1-N 2.81Å; N102-G105 VanDerWaalsContact OD1-N 3.12Å; V103-G105 VanDerWaalsContact C-N 3.31Å; G105-T107 PolarHBondContact O-N 3.06Å
106D90.3Very high92.2Very high86 Ų8663.7 Ų63.746%0.4636%0.356SS..  trans-66.4128.1176.2-57.6-45.7000110Q101 N102 L104Q101-D106 VanDerWaalsContact CA-O 3.25Å; Q101-D106 WeakPolarHBondContact CA-O 3.43Å; N102-D106 PolarHBondContact N-O 2.76Å; N102-D106 VanDerWaalsContact N-O 3.14Å; N102-D106 PolarHBondContact ND2-OD2 3.09Å; N102-D106 WeakPolarHBondContact OD1-CB 3.43Å; N102-D106 PolarHBondContact OD1-N 2.84Å; L104-D106 VanDerWaalsContact C-N 3.35Å
107T95Very high91.4Very high67 Ų6767.9 Ų67.941%0.41138%0.384SS..EExtended strand (participates in β ladder)trans-72137.5176.5-56.80000111.4V99 M100 G105 K133V99-T107 HydrophobicContact CG1-CG2 3.95Å; M100-T107 CarbonylContact O-C 3.58Å; M100-T107 WeakPolarHBondContact O-CA 3Å; G105-T107 PolarHBondContact O-N 3.06Å; T107-K133 PolarHBondContact O-NZ 3.2Å
108I94.2Very high90.9Very high2 Ų272.6 Ų72.61%0.0140%0.404CS..EExtended strand (participates in β ladder)trans-99.9111.5171.3-53.1-174.5000107.4M100 M110 V125 V130 K133 I134 L140M100-I108 HydrophobicContact CB-CB 4.18Å; M100-I108 HydrophobicContact CG-CB 4.04Å; M100-I108 HydrophobicContact CG-CD1 4.05Å; M100-I108 HydrophobicContact CG-CG1 4.31Å; M100-I108 PolarHBondContact O-N 2.87Å; M100-I108 HydrophobicContact SD-CB 4.21Å; M100-I108 HydrophobicContact SD-CD1 4.16Å; M100-I108 HydrophobicContact SD-CG2 4.23Å; I108-M110 WeakPolarHBondContact O-CG 3.02Å; I108-M110 PolarHBondContact O-N 2.91Å; I108-V125 HydrophobicContact CG2-CG2 4.13Å; I108-V130 HydrophobicContact CD1-CG1 4.24Å; I108-V130 HydrophobicContact CG2-CG2 4.18Å; I108-K133 HydrophobicContact CD1-CB 4.12Å; I108-K133 HydrophobicContact CD1-CD 4.41Å; I108-K133 HydrophobicContact CG1-CB 4.41Å; I108-K133 HydrophobicContact CG1-CD 3.88Å; I108-K133 HydrophobicContact CG2-CD 4.41Å; I108-I134 HydrophobicContact CD1-CG2 3.99Å; I108-L140 HydrophobicContact CD1-CD1 3.9Å
109D93.5Very high90.6Very high124 Ų12473.2 Ų73.266%0.66341%0.409SS*.  trans-63.1126.9-178.1-61.6-48.7000111.6V125D109-V125 VanDerWaalsContact O-CG2 3.29Å; D109-V125 WeakPolarHBondContact O-CG2 3.42Å
110M95.9Very high90.4Very high39 Ų3974.7 Ų74.719%0.19242%0.415CS..  trans-117.3151.5179.1-55.3-173.276.200110.4L77 M100 I108 T123 V125L77-M110 HydrophobicContact CB-CE 4.34Å; L77-M110 HydrophobicContact CD1-CE 3.67Å; L77-M110 HydrophobicContact CD1-SD 3.76Å; L77-M110 HydrophobicContact CG-CE 3.8Å; M100-M110 HydrophobicContact CB-CG 4.32Å; M100-M110 HydrophobicContact CB-SD 3.71Å; M100-M110 HydrophobicContact CE-CE 3.73Å; M100-M110 HydrophobicContact CE-SD 3.89Å; M100-M110 HydrophobicContact SD-SD 4.36Å; I108-M110 WeakPolarHBondContact O-CG 3.02Å; I108-M110 PolarHBondContact O-N 2.91Å; M110-T123 WeakPolarHBondContact CE-OG1 3.47Å; M110-V125 HydrophobicContact CE-CG1 4.08Å; M110-V125 HydrophobicContact CG-CB 4.28Å; M110-V125 HydrophobicContact CG-CG1 4.31Å
111R95Very high90.4Very high179 Ų17976.3 Ų76.368%0.67542%0.422SS*.EExtended strand (participates in β ladder)trans-97.7135172.5-64.8-173.7178.7-154.3-1.9109.9T123 Y124R111-T123 CarbonylContact O-C 3.57Å; R111-T123 WeakPolarHBondContact O-CA 3.28Å; R111-Y124 HydrophobicContact CB-CD1 4.32Å; R111-Y124 HydrophobicContact CB-CD2 4.48Å; R111-Y124 HydrophobicContact CB-CE1 3.84Å; R111-Y124 HydrophobicContact CB-CE2 4.01Å; R111-Y124 PolarHBondContact N-O 3.1Å; R111-Y124 WeakPolarHBondContact O-CD1 3.09Å; R111-Y124 PolarHBondContact O-N 2.88Å
112V93.6Very high90.4Very high82 Ų8274.5 Ų74.550%0.49741%0.414SS..EExtended strand (participates in β ladder)trans-77.8132.3170.3-175.90000108.8Y121 T123V112-Y121 HydrophobicContact CG1-CD2 4.47Å; V112-Y121 HydrophobicContact CG1-CE2 3.74Å; V112-Y121 HydrophobicContact CG2-CE2 4.45Å; V112-T123 HydrophobicContact CG2-CG2 4.16Å
113H89.5Confident90.8Very high70 Ų7074 Ų7432%0.32441%0.412SS..PPolyproline II helixtrans-75.3125173.4-166.9-81000109.6S115 V122 Y124H113-S115 VanDerWaalsContact C-N 3.35Å; H113-S115 PolarHBondContact CE1-O 2.9Å; H113-S115 VanDerWaalsContact ND1-C 3.27Å; H113-S115 PolarHBondContact ND1-N 2.89Å; H113-S115 PolarHBondContact ND1-O 2.82Å; H113-S115 PolarHBondContact O-N 2.84Å; H113-V122 HydrophobicContact CB-CB 3.89Å; H113-V122 HydrophobicContact CB-CG1 4.05Å; H113-V122 PolarHBondContact N-O 3.01Å; H113-Y124 HydrophobicContact CB-CD1 4.33Å; H113-Y124 HydrophobicContact CB-CE1 4.24Å
114P84.8Confident91.2Very high113 Ų11373.3 Ų73.373%0.73440%0.402SS*.SBendtrans-71.8-26.1-170.527.5-35.3000113.9
115S84Confident91.7Very high85 Ų8567.2 Ų67.259%0.59437%0.37SS*.SBendtrans-146.974.4-177.2-55.80000111.2H113 S117H113-S115 VanDerWaalsContact C-N 3.35Å; H113-S115 PolarHBondContact CE1-O 2.9Å; H113-S115 VanDerWaalsContact ND1-C 3.27Å; H113-S115 PolarHBondContact ND1-N 2.89Å; H113-S115 PolarHBondContact ND1-O 2.82Å; H113-S115 PolarHBondContact O-N 2.84Å; S115-S117 PolarHBondContact O-N 2.83Å
116P82.9Confident92Very high41 Ų4170.2 Ų70.227%0.26637%0.374SS..  trans-69123.3-179.129.5-33.8000111S119 V122P116-S119 VanDerWaalsContact CB-O 3.29Å; P116-S119 WeakPolarHBondContact CB-O 3.27Å; P116-S119 VanDerWaalsContact CG-O 3.26Å; P116-S119 WeakPolarHBondContact CG-O 3.49Å; P116-V122 HydrophobicContact CB-CB 4.07Å; P116-V122 HydrophobicContact CB-CG2 3.55Å; P116-V122 HydrophobicContact CG-CG2 4.48Å
117S79.8Confident92.3Very high107 Ų10768.3 Ų68.375%0.74836%0.36SS*.SBendtrans-82.5-26.2-174.8-49.70000114.4S115S115-S117 PolarHBondContact O-N 2.83Å
118H85.6Confident92.4Very high174 Ų17470.2 Ų70.281%0.80637%0.368SS*.SBendtrans-128.112.6-172.8-57.4-55.9000113N80N80-H118 PolarHBondContact OD1-O 2.77Å
119S93Very high92.5Very high24 Ų2473.1 Ų73.117%0.16839%0.385CS..  trans-150.1150.9178-63.90000111.8N80 P116 Y121 V122N80-S119 PolarHBondContact ND2-OG 3.45Å; N80-S119 WeakPolarHBondContact OD1-CA 3.07Å; N80-S119 WeakPolarHBondContact OD1-CB 3.4Å; N80-S119 PolarHBondContact OD1-OG 3.06Å; P116-S119 VanDerWaalsContact CB-O 3.29Å; P116-S119 WeakPolarHBondContact CB-O 3.27Å; P116-S119 VanDerWaalsContact CG-O 3.26Å; P116-S119 WeakPolarHBondContact CG-O 3.49Å; S119-Y121 VanDerWaalsContact C-N 3.34Å; S119-V122 VanDerWaalsContact CB-CG2 3.5Å
120D92.8Very high92.7Very high75 Ų7567.2 Ų67.240%0.40135%0.354SS..SBendtrans-68.8-36.2-178.6-66.7-61.5000111.6L79 N80 R81 F94L79-D120 PolarHBondContact O-N 3.26Å; N80-D120 WeakPolarHBondContact CA-OD2 3.12Å; R81-D120 WeakPolarHBondContact CG-OD2 3.39Å; R81-D120 PolarHBondContact N-OD2 2.95Å; R81-D120 IonicContact NE-OD1 3.4Å; F94-D120 HydrophobicContact CE1-CB 4.31Å; F94-D120 HydrophobicContact CE2-CB 4.36Å; F94-D120 HydrophobicContact CZ-CB 3.52Å
121Y96.2Very high92.7Very high34 Ų3467.4 Ų67.413%0.13336%0.356CS..EExtended strand (participates in β ladder)trans-149.4132.4179.2-179.9-110.7000110.5C78 L79 A96 F98 V112 S119 T123C78-Y121 CarbonylContact C-O 3.58Å; C78-Y121 WeakPolarHBondContact CA-O 3.42Å; L79-Y121 PolarHBondContact N-O 2.93Å; L79-Y121 PolarHBondContact O-N 2.5Å; A96-Y121 HydrophobicContact CB-CD1 3.86Å; A96-Y121 HydrophobicContact CB-CE1 4.36Å; A96-Y121 HydrophobicContact CB-CG 4.09Å; F98-Y121 AromaticContact CD2-CD1 3.69Å; F98-Y121 HydrophobicContact CD2-CD1 3.69Å; F98-Y121 AromaticContact CD2-CE1 3.43Å; F98-Y121 HydrophobicContact CD2-CE1 3.43Å; F98-Y121 VanDerWaalsContact CD2-CE1 3.43Å; F98-Y121 AromaticContact CE2-CD1 3.57Å; F98-Y121 HydrophobicContact CE2-CD1 3.57Å; F98-Y121 AromaticContact CE2-CE1 3.85Å; F98-Y121 HydrophobicContact CE2-CE1 3.85Å; F98-Y121 HydrophobicContact CG-CE1 4.14Å; F98-Y121 HydrophobicContact CZ-CD1 4.41Å; V112-Y121 HydrophobicContact CG1-CD2 4.47Å; V112-Y121 HydrophobicContact CG1-CE2 3.74Å; V112-Y121 HydrophobicContact CG2-CE2 4.45Å; S119-Y121 VanDerWaalsContact C-N 3.34Å; Y121-T123 HydrophobicContact CE1-CG2 3.73Å; Y121-T123 HydrophobicContact CE2-CG2 4.48Å; Y121-T123 WeakPolarHBondContact OH-CG2 3.37Å
122V96.9Very high92.8Very high9 Ų963.3 Ų63.36%0.05535%0.352CS..EExtended strand (participates in β ladder)trans-136.2133.7-176.3-179.80000110.2F76 L77 C78 H113 P116 S119F76-V122 HydrophobicContact CD1-CG1 3.88Å; L77-V122 WeakPolarHBondContact O-CA 3.49Å; C78-V122 HydrophobicContact CB-CG2 4.35Å; H113-V122 HydrophobicContact CB-CB 3.89Å; H113-V122 HydrophobicContact CB-CG1 4.05Å; H113-V122 PolarHBondContact N-O 3.01Å; P116-V122 HydrophobicContact CB-CB 4.07Å; P116-V122 HydrophobicContact CB-CG2 3.55Å; P116-V122 HydrophobicContact CG-CG2 4.48Å; S119-V122 VanDerWaalsContact CB-CG2 3.5Å
123T97.7Very high92.9Very high3 Ų363.1 Ų63.12%0.01835%0.345CS..EExtended strand (participates in β ladder)trans-127.1153.9168.663.70000110.3F76 L77 F98 M110 R111 V112 Y121F76-T123 WeakPolarHBondContact CA-O 3.48Å; L77-T123 PolarHBondContact N-O 3.31Å; L77-T123 PolarHBondContact O-N 3.32Å; F98-T123 HydrophobicContact CB-CG2 4.47Å; F98-T123 HydrophobicContact CD2-CG2 3.95Å; F98-T123 WeakPolarHBondContact CD2-OG1 3.49Å; M110-T123 WeakPolarHBondContact CE-OG1 3.47Å; R111-T123 CarbonylContact O-C 3.57Å; R111-T123 WeakPolarHBondContact O-CA 3.28Å; V112-T123 HydrophobicContact CG2-CG2 4.16Å; Y121-T123 HydrophobicContact CE1-CG2 3.73Å; Y121-T123 HydrophobicContact CE2-CG2 4.48Å; Y121-T123 WeakPolarHBondContact OH-CG2 3.37Å
124Y97.2Very high93.1Very high53 Ų5359.9 Ų59.921%0.20833%0.329CS..EExtended strand (participates in β ladder)trans-148.6154.4-178.365.6-83000112.3Y74 V75 F76 R111 H113Y74-Y124 AromaticContact CD1-CD2 3.72Å; Y74-Y124 HydrophobicContact CD1-CD2 3.72Å; Y74-Y124 HydrophobicContact CD1-CE2 4.4Å; Y74-Y124 AromaticContact CE1-CD2 3.97Å; Y74-Y124 HydrophobicContact CE1-CD2 3.97Å; Y74-Y124 HydrophobicContact CE1-CE2 4.19Å; V75-Y124 VanDerWaalsContact O-CA 3.24Å; V75-Y124 WeakPolarHBondContact O-CA 3.35Å; F76-Y124 HydrophobicContact CD1-CG 4.44Å; F76-Y124 HydrophobicContact CE1-CD1 4.37Å; F76-Y124 HydrophobicContact CE1-CG 4.03Å; R111-Y124 HydrophobicContact CB-CD1 4.32Å; R111-Y124 HydrophobicContact CB-CD2 4.48Å; R111-Y124 HydrophobicContact CB-CE1 3.84Å; R111-Y124 HydrophobicContact CB-CE2 4.01Å; R111-Y124 PolarHBondContact N-O 3.1Å; R111-Y124 WeakPolarHBondContact O-CD1 3.09Å; R111-Y124 PolarHBondContact O-N 2.88Å; H113-Y124 HydrophobicContact CB-CD1 4.33Å; H113-Y124 HydrophobicContact CB-CE1 4.24Å
125V97.7Very high93.6Very high10 Ų1058.2 Ų58.26%0.06131%0.314CS..EExtended strand (participates in β ladder)trans-149.2147.3178.657.30000109.1Y74 V75 M100 I108 D109 M110 V129 V130Y74-V125 CarbonylContact C-O 3.47Å; Y74-V125 VanDerWaalsContact CA-O 3.3Å; Y74-V125 WeakPolarHBondContact CA-O 3.35Å; V75-V125 HydrophobicContact CB-CG1 4.1Å; V75-V125 PolarHBondContact N-O 3.44Å; V75-V125 PolarHBondContact O-N 2.78Å; M100-V125 HydrophobicContact SD-CG1 4.24Å; I108-V125 HydrophobicContact CG2-CG2 4.13Å; D109-V125 VanDerWaalsContact O-CG2 3.29Å; D109-V125 WeakPolarHBondContact O-CG2 3.42Å; M110-V125 HydrophobicContact CE-CG1 4.08Å; M110-V125 HydrophobicContact CG-CB 4.28Å; M110-V125 HydrophobicContact CG-CG1 4.31Å; V125-V129 HydrophobicContact CG2-CB 4.13Å; V125-V129 HydrophobicContact CG2-CG1 4.12Å; V125-V130 HydrophobicContact CB-CG2 4.31Å; V125-V130 HydrophobicContact CG1-CG2 3.37Å; V125-V130 HydrophobicContact CG2-CG2 3.99Å
126K97.4Very high94.1Very high98 Ų9859.5 Ų59.543%0.42632%0.32SS..EExtended strand (participates in β ladder)trans-67.5141177.9-69.2-174170.3-170.40111D73 Y74 D128 V129 V130D73-K126 CarbonylContact O-C 3.58Å; D73-K126 WeakPolarHBondContact O-CA 3.43Å; Y74-K126 HydrophobicContact CD1-CB 4.35Å; Y74-K126 HydrophobicContact CD1-CG 3.78Å; Y74-K126 HydrophobicContact CE1-CB 4.33Å; Y74-K126 HydrophobicContact CE1-CD 4.4Å; Y74-K126 HydrophobicContact CE1-CG 3.3Å; K126-D128 VanDerWaalsContact C-N 3.29Å; K126-D128 WeakPolarHBondContact CB-OD1 3.37Å; K126-D128 PolarHBondContact O-N 3.28Å; K126-V129 HydrophobicContact CB-CG2 4.19Å; K126-V129 WeakPolarHBondContact O-CB 3.34Å; K126-V129 PolarHBondContact O-N 3.35Å; K126-V129 VanDerWaalsContact O-N 3.09Å; K126-V130 PolarHBondContact O-N 2.95Å
127R96.7Very high94.7Very high46 Ų4663 Ų6317%0.17433%0.333CS..Hα-helixtrans-61.3-36.8178.9-74.5174.159.180.54.3112.4P64 K65 K72 D73 V75 V129 V130 L131P64-R127 VanDerWaalsContact C-NH1 3.34Å; P64-R127 WeakPolarHBondContact O-CD 3.41Å; P64-R127 PolarHBondContact O-NH1 3.48Å; K65-R127 VanDerWaalsContact CG-NH1 3.32Å; K72-R127 WeakPolarHBondContact O-CD 3.37Å; D73-R127 WeakPolarHBondContact O-CB 3.48Å; D73-R127 WeakPolarHBondContact O-CG 3.46Å; D73-R127 PolarHBondContact O-N 3.22Å; V75-R127 HydrophobicContact CG2-CG 3.83Å; R127-V129 PolarHBondContact O-N 3.34Å; R127-V130 PolarHBondContact O-N 2.67Å; R127-V130 VanDerWaalsContact O-N 3.17Å; R127-L131 WeakPolarHBondContact O-CG 3.21Å; R127-L131 PolarHBondContact O-N 3.07Å
128D95.9Very high95.4Very high106 Ų10658.2 Ų58.257%0.56730%0.299SS*.Hα-helixtrans-65.4-20176.563.4-0.8000113.3K126 P132K126-D128 VanDerWaalsContact C-N 3.29Å; K126-D128 WeakPolarHBondContact CB-OD1 3.37Å; K126-D128 PolarHBondContact O-N 3.28Å; D128-P132 WeakPolarHBondContact O-CD 3.15Å; D128-P132 WeakPolarHBondContact O-CG 3.44Å
129V97.1Very high95.8Very high63 Ų6352.1 Ų52.138%0.38227%0.27SS..Hα-helixtrans-85-37.1171.1177.10000111.5V125 K126 R127V125-V129 HydrophobicContact CG2-CB 4.13Å; V125-V129 HydrophobicContact CG2-CG1 4.12Å; K126-V129 HydrophobicContact CB-CG2 4.19Å; K126-V129 WeakPolarHBondContact O-CB 3.34Å; K126-V129 PolarHBondContact O-N 3.35Å; K126-V129 VanDerWaalsContact O-N 3.09Å; R127-V129 PolarHBondContact O-N 3.34Å
130V97.1Very high96Very high0 Ų051 Ų510%026%0.262CS..Hα-helixtrans-73.6-51.3-177.5179.30000111.7F35 V75 M100 I108 V125 K126 R127 K133 I134 L140F35-V130 HydrophobicContact CE1-CG1 4.26Å; V75-V130 HydrophobicContact CG2-CB 4.49Å; V75-V130 HydrophobicContact CG2-CG2 4.06Å; M100-V130 HydrophobicContact SD-CG2 4.33Å; I108-V130 HydrophobicContact CD1-CG1 4.24Å; I108-V130 HydrophobicContact CG2-CG2 4.18Å; V125-V130 HydrophobicContact CB-CG2 4.31Å; V125-V130 HydrophobicContact CG1-CG2 3.37Å; V125-V130 HydrophobicContact CG2-CG2 3.99Å; K126-V130 PolarHBondContact O-N 2.95Å; R127-V130 PolarHBondContact O-N 2.67Å; R127-V130 VanDerWaalsContact O-N 3.17Å; V130-K133 PolarHBondContact O-N 3.3Å; V130-I134 HydrophobicContact CG1-CD1 4.25Å; V130-I134 HydrophobicContact CG1-CG2 4.38Å; V130-I134 PolarHBondContact O-N 3.47Å; V130-L140 HydrophobicContact CG1-CD1 4.22Å
131L96.4Very high96.2Very high44 Ų4447.6 Ų47.623%0.2325%0.245CC..Hα-helixtrans-59.8-44.8-168.8-66.1174.9000113.5R127 K133 I134 L135R127-L131 WeakPolarHBondContact O-CG 3.21Å; R127-L131 PolarHBondContact O-N 3.07Å; L131-K133 PolarHBondContact O-N 3.3Å; L131-I134 HydrophobicContact CD2-CD1 4.37Å; L131-I134 PolarHBondContact O-N 3.18Å; L131-L135 HydrophobicContact CB-CD1 4.5Å; L131-L135 WeakPolarHBondContact O-CB 3.39Å; L131-L135 WeakPolarHBondContact O-CG 3.31Å; L131-L135 PolarHBondContact O-N 3.29Å; L131-L135 VanDerWaalsContact O-N 3.12Å
132P96.2Very high96.2Very high93 Ų9346 Ų4660%0.60424%0.238SC*.Hα-helixtrans-65.4-24.6177.4-21.735.2000113.7D128D128-P132 WeakPolarHBondContact O-CD 3.15Å; D128-P132 WeakPolarHBondContact O-CG 3.44Å
133K95.4Very high96.3Very high78 Ų7848.4 Ų48.434%0.33925%0.248SC..Hα-helixtrans-81.8-21.6-179.4-73.5-169.4170.7-168.80113.7N102 T107 I108 V130 L131N102-K133 WeakPolarHBondContact CB-O 3.4Å; N102-K133 PolarHBondContact ND2-O 2.63Å; N102-K133 VanDerWaalsContact ND2-O 3.12Å; T107-K133 PolarHBondContact O-NZ 3.2Å; I108-K133 HydrophobicContact CD1-CB 4.12Å; I108-K133 HydrophobicContact CD1-CD 4.41Å; I108-K133 HydrophobicContact CG1-CB 4.41Å; I108-K133 HydrophobicContact CG1-CD 3.88Å; I108-K133 HydrophobicContact CG2-CD 4.41Å; V130-K133 PolarHBondContact O-N 3.3Å; L131-K133 PolarHBondContact O-N 3.3Å
134I95.4Very high96.3Very high1 Ų148.3 Ų48.31%0.00525%0.248CC..Hα-helixtrans-105.5-21.5-177.866.7172.1000113.4F35 N102 I108 V130 L131 Q137 D138 F139 L140F35-I134 HydrophobicContact CB-CD1 4.05Å; F35-I134 HydrophobicContact CD1-CD1 3.65Å; F35-I134 HydrophobicContact CG-CD1 4.27Å; N102-I134 HydrophobicContact CB-CG2 4.29Å; I108-I134 HydrophobicContact CD1-CG2 3.99Å; V130-I134 HydrophobicContact CG1-CD1 4.25Å; V130-I134 HydrophobicContact CG1-CG2 4.38Å; V130-I134 PolarHBondContact O-N 3.47Å; L131-I134 HydrophobicContact CD2-CD1 4.37Å; L131-I134 PolarHBondContact O-N 3.18Å; I134-Q137 CarbonylContact O-C 3.47Å; I134-Q137 PolarHBondContact O-N 2.64Å; I134-D138 WeakPolarHBondContact O-CA 3.36Å; I134-D138 PolarHBondContact O-N 3.3Å; I134-F139 WeakPolarHBondContact CG2-O 3.49Å; I134-L140 HydrophobicContact CG2-CD1 3.73Å
135L94.9Very high96.3Very high79 Ų7947.5 Ų47.541%0.41425%0.248SC..THydrogen-bonded Turntrans-85.1145.5177-67.3174.7000110.6L131 D138L131-L135 HydrophobicContact CB-CD1 4.5Å; L131-L135 WeakPolarHBondContact O-CB 3.39Å; L131-L135 WeakPolarHBondContact O-CG 3.31Å; L131-L135 PolarHBondContact O-N 3.29Å; L131-L135 VanDerWaalsContact O-N 3.12Å; L135-D138 HydrophobicContact CD2-CB 3.89Å
136P94.6Very high96.3Very high111 Ų11147 Ų4772%0.72125%0.245SC*.THydrogen-bonded Turncis-88.1-5.38.634.6-37.6000115.7D138P136-D138 PolarHBondContact O-N 2.93Å
137Q94.6Very high96.2Very high116 Ų11644.1 Ų44.154%0.54224%0.235SC..THydrogen-bonded Turntrans-72.8-16.9-175.2-63.379.114.500113.4V103 I134 F139V103-Q137 HydrophobicContact CB-CB 4.5Å; V103-Q137 HydrophobicContact CG1-CB 3.97Å; V103-Q137 HydrophobicContact CG1-CG 3.98Å; I134-Q137 CarbonylContact O-C 3.47Å; I134-Q137 PolarHBondContact O-N 2.64Å; Q137-F139 PolarHBondContact O-N 2.98Å
138D95.4Very high96.1Very high5 Ų542 Ų423%0.02723%0.227CC..THydrogen-bonded Turntrans46.954178.6-158.23.7000113.1K33 N34 F35 S36 H37 I134 L135 P136K33-D138 CarbonylContact C-O 3.59Å; N34-D138 VanDerWaalsContact CA-CG 3.45Å; N34-D138 WeakPolarHBondContact CA-O 3.4Å; N34-D138 WeakPolarHBondContact CA-OD2 3.17Å; N34-D138 PolarHBondContact N-O 2.8Å; F35-D138 PolarHBondContact N-OD1 3.05Å; F35-D138 PolarHBondContact N-OD2 2.93Å; S36-D138 WeakPolarHBondContact CB-OD1 3.31Å; S36-D138 VanDerWaalsContact CB-OD2 3.27Å; S36-D138 WeakPolarHBondContact CB-OD2 3.45Å; S36-D138 PolarHBondContact N-OD1 3.12Å; S36-D138 PolarHBondContact N-OD2 3.07Å; S36-D138 VanDerWaalsContact OG-CG 3.3Å; S36-D138 PolarHBondContact OG-OD2 2.86Å; H37-D138 IonicContact CD2-OD2 3.31Å; H37-D138 PolarHBondContact CD2-OD2 3.14Å; H37-D138 VanDerWaalsContact CD2-OD2 3.3Å; H37-D138 IonicContact NE2-OD2 3.94Å; I134-D138 WeakPolarHBondContact O-CA 3.36Å; I134-D138 PolarHBondContact O-N 3.3Å; L135-D138 HydrophobicContact CD2-CB 3.89Å; P136-D138 PolarHBondContact O-N 2.93Å
139F93.9Very high95.9Very high46 Ų4638.5 Ų38.520%0.20221%0.209CC..EExtended strand (participates in β ladder)trans-128126.4-174.9-178.9-79.2000110.1T31 K33 V103 I134 Q137 A141T31-F139 HydrophobicContact CG2-CD2 3.91Å; T31-F139 HydrophobicContact CG2-CE1 3.94Å; T31-F139 HydrophobicContact CG2-CE2 3.19Å; T31-F139 HydrophobicContact CG2-CZ 3.21Å; K33-F139 HydrophobicContact CG-CD2 4.07Å; K33-F139 HydrophobicContact CG-CE2 4.46Å; V103-F139 HydrophobicContact CB-CB 4.08Å; V103-F139 HydrophobicContact CB-CD1 3.93Å; V103-F139 HydrophobicContact CB-CG 4.13Å; V103-F139 HydrophobicContact CG2-CD1 4.29Å; V103-F139 HydrophobicContact CG2-CG 4.28Å; I134-F139 WeakPolarHBondContact CG2-O 3.49Å; Q137-F139 PolarHBondContact O-N 2.98Å; F139-A141 HydrophobicContact CE1-CB 4.05Å
140L96.5Very high95.6Very high0 Ų036.8 Ų36.80%020%0.199CC..EExtended strand (participates in β ladder)trans-127124.2178.2-168.274.5000110.3T31 V32 F35 M100 I108 V130 I134T31-L140 CarbonylContact C-O 3.57Å; T31-L140 WeakPolarHBondContact CA-O 3.46Å; V32-L140 PolarHBondContact N-O 2.96Å; V32-L140 PolarHBondContact O-N 2.82Å; F35-L140 HydrophobicContact CB-CB 4.15Å; F35-L140 HydrophobicContact CD1-CD2 4.14Å; F35-L140 HydrophobicContact CD2-CB 4.46Å; F35-L140 HydrophobicContact CD2-CD2 3.68Å; F35-L140 HydrophobicContact CE1-CD2 4.12Å; F35-L140 HydrophobicContact CE2-CD2 3.69Å; F35-L140 HydrophobicContact CG-CB 4.22Å; F35-L140 HydrophobicContact CG-CD2 3.91Å; F35-L140 HydrophobicContact CZ-CD2 3.9Å; M100-L140 HydrophobicContact CE-CD2 4.05Å; M100-L140 HydrophobicContact CG-CD1 3.51Å; M100-L140 HydrophobicContact CG-CD2 4.46Å; M100-L140 HydrophobicContact CG-CG 4.1Å; M100-L140 HydrophobicContact SD-CD1 3.71Å; M100-L140 HydrophobicContact SD-CD2 4.17Å; M100-L140 HydrophobicContact SD-CG 4.36Å; I108-L140 HydrophobicContact CD1-CD1 3.9Å; V130-L140 HydrophobicContact CG1-CD1 4.22Å; I134-L140 HydrophobicContact CG2-CD1 3.73Å
141A96.6Very high95.1Very high4 Ų439.9 Ų39.93%0.03322%0.216CC..EExtended strand (participates in β ladder)trans-107.5137171.200000110.5W30 M100 Q101 F139 F143W30-A141 CarbonylContact O-C 3.54Å; M100-A141 CarbonylContact C-O 3.54Å; M100-A141 WeakPolarHBondContact CA-O 3.48Å; Q101-A141 PolarHBondContact N-O 2.77Å; Q101-A141 PolarHBondContact O-N 2.84Å; F139-A141 HydrophobicContact CE1-CB 4.05Å; A141-F143 HydrophobicContact CB-CD2 4.48Å; A141-F143 HydrophobicContact CB-CE2 3.74Å; A141-F143 HydrophobicContact CB-CZ 4.34Å
142V97.7Very high94.7Very high0 Ų041.5 Ų41.50%023%0.227CC..EExtended strand (participates in β ladder)trans-121.6117.2175.3177.60000108.3W30 I62 L77 F98 V99 M100W30-V142 PolarHBondContact N-O 2.82Å; W30-V142 PolarHBondContact O-N 3.26Å; I62-V142 HydrophobicContact CD1-CG2 3.9Å; L77-V142 HydrophobicContact CD1-CG1 3.6Å; L77-V142 HydrophobicContact CD1-CG2 4.11Å; L77-V142 HydrophobicContact CD2-CG1 4.2Å; L77-V142 HydrophobicContact CD2-CG2 4.08Å; F98-V142 HydrophobicContact CD1-CG1 4.1Å; V99-V142 CarbonylContact O-C 3.57Å; V99-V142 WeakPolarHBondContact O-CA 3.44Å; M100-V142 HydrophobicContact CE-CG2 4.37Å
143F97.5Very high94.3Very high60 Ų6038.9 Ų38.926%0.26321%0.21SC..EExtended strand (participates in β ladder)trans-101.1123.5174.2-60.5-97.7000108.7H28 Q29 F98 V99 Q101 A141H28-F143 CarbonylContact O-C 3.56Å; H28-F143 WeakPolarHBondContact O-CA 3.31Å; Q29-F143 HydrophobicContact CB-CD1 3.94Å; Q29-F143 HydrophobicContact CB-CE1 3.94Å; Q29-F143 VanDerWaalsContact CD-CE1 3.43Å; Q29-F143 HydrophobicContact CG-CD1 3.94Å; Q29-F143 HydrophobicContact CG-CE1 3.55Å; Q29-F143 HydrophobicContact CG-CZ 3.95Å; Q29-F143 VanDerWaalsContact OE1-CE1 3.23Å; F98-F143 CarbonylContact C-O 3.59Å; F98-F143 WeakPolarHBondContact CA-O 3.25Å; V99-F143 HydrophobicContact CB-CB 4.28Å; V99-F143 PolarHBondContact N-O 3.3Å; V99-F143 PolarHBondContact O-N 2.89Å; Q101-F143 HydrophobicContact CB-CE2 4.25Å; Q101-F143 HydrophobicContact CG-CE2 4.33Å; A141-F143 HydrophobicContact CB-CD2 4.48Å; A141-F143 HydrophobicContact CB-CE2 3.74Å; A141-F143 HydrophobicContact CB-CZ 4.34Å
144T97.8Very high93.9Very high2 Ų239 Ų391%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-112128.4178.3-49.50000108.8K27 H28 I47 V60 L79 N97 F98 I146K27-T144 CarbonylContact C-O 3.55Å; K27-T144 WeakPolarHBondContact CA-O 3.5Å; H28-T144 PolarHBondContact N-O 3.22Å; H28-T144 PolarHBondContact O-N 3.44Å; I47-T144 HydrophobicContact CD1-CG2 3.58Å; V60-T144 HydrophobicContact CG2-CG2 4.3Å; L79-T144 HydrophobicContact CD1-CG2 4.43Å; N97-T144 WeakPolarHBondContact O-CA 3.37Å; F98-T144 HydrophobicContact CD1-CG2 3.83Å; F98-T144 WeakPolarHBondContact CD1-OG1 3.46Å; F98-T144 HydrophobicContact CE1-CG2 3.49Å; F98-T144 VanDerWaalsContact CE1-CG2 3.49Å; F98-T144 VanDerWaalsContact CE1-OG1 3.26Å; F98-T144 WeakPolarHBondContact CE1-OG1 2.99Å; F98-T144 HydrophobicContact CZ-CG2 4.46Å; T144-I146 HydrophobicContact CG2-CD1 4.38Å; T144-I146 HydrophobicContact CG2-CG1 4.06Å
145T97.4Very high93.2Very high35 Ų3542 Ų4222%0.21524%0.235CC..EExtended strand (participates in β ladder)trans-116.9133.1169-56.80000108.8R25 V26 K27 A96 N97R25-T145 HydrophobicContact CG-CG2 3.8Å; V26-T145 WeakPolarHBondContact O-CA 3.43Å; K27-T145 HydrophobicContact CG-CG2 4.33Å; A96-T145 CarbonylContact C-O 3.59Å; A96-T145 VanDerWaalsContact CA-O 3.24Å; A96-T145 WeakPolarHBondContact CA-O 3.29Å; N97-T145 PolarHBondContact N-O 2.95Å; N97-T145 PolarHBondContact O-N 3.17Å
146I97.4Very high92.5Very high0 Ų043.2 Ų43.20%024%0.242CC..EExtended strand (participates in β ladder)trans-128.1122.9176.5-49.4173.7000108.5R25 V26 I47 W58 L79 F94 K95 A96 T144 V148R25-I146 CarbonylContact C-O 3.56Å; R25-I146 WeakPolarHBondContact CA-O 3.44Å; V26-I146 HydrophobicContact CG1-CB 3.72Å; V26-I146 HydrophobicContact CG1-CD1 4.3Å; V26-I146 HydrophobicContact CG1-CG1 4.28Å; V26-I146 PolarHBondContact N-O 2.74Å; V26-I146 PolarHBondContact O-N 3.35Å; I47-I146 HydrophobicContact CD1-CD1 4Å; I47-I146 HydrophobicContact CG2-CD1 4.3Å; W58-I146 HydrophobicContact CB-CD1 4.17Å; W58-I146 HydrophobicContact CD2-CD1 3.63Å; W58-I146 HydrophobicContact CE3-CD1 3.82Å; W58-I146 HydrophobicContact CG-CD1 3.79Å; W58-I146 HydrophobicContact CH2-CG2 4.33Å; W58-I146 HydrophobicContact CZ2-CG2 3.95Å; W58-I146 HydrophobicContact CZ3-CD1 4.47Å; L79-I146 HydrophobicContact CD1-CD1 3.94Å; L79-I146 HydrophobicContact CD2-CD1 3.94Å; L79-I146 HydrophobicContact CD2-CG1 4.16Å; F94-I146 HydrophobicContact CB-CG2 3.97Å; F94-I146 HydrophobicContact CD2-CG2 3.86Å; F94-I146 HydrophobicContact CG-CG2 4.03Å; K95-I146 CarbonylContact O-C 3.58Å; K95-I146 WeakPolarHBondContact O-CA 3.44Å; A96-I146 HydrophobicContact CB-CG1 4.36Å; T144-I146 HydrophobicContact CG2-CD1 4.38Å; T144-I146 HydrophobicContact CG2-CG1 4.06Å; I146-V148 HydrophobicContact CG2-CG2 3.92Å
147D95.6Very high91.1Very high38 Ų3840.4 Ų40.420%0.20323%0.228CC..EExtended strand (participates in β ladder)trans-105.3109.5176.3-76.4-18.5000109V23 R25 F94 K95V23-D147 HydrophobicContact CG1-CB 3.66Å; R25-D147 VanDerWaalsContact CB-OD1 3.32Å; R25-D147 WeakPolarHBondContact CB-OD1 3.22Å; R25-D147 VanDerWaalsContact CG-OD1 3.29Å; R25-D147 WeakPolarHBondContact CG-OD1 3.35Å; R25-D147 IonicContact CZ-OD1 3.24Å; R25-D147 IonicContact CZ-OD2 3.41Å; R25-D147 IonicContact NE-OD1 3.85Å; R25-D147 PolarHBondContact NE-OD1 3.37Å; R25-D147 IonicContact NE-OD2 2.75Å; R25-D147 IonicContact NH2-OD1 2.74Å; R25-D147 PolarHBondContact NH2-OD1 3.36Å; R25-D147 IonicContact NH2-OD2 3.03Å; R25-D147 PolarHBondContact NH2-OD2 2.88Å; F94-D147 CarbonylContact C-O 3.55Å; F94-D147 WeakPolarHBondContact CA-O 3.44Å; F94-D147 WeakPolarHBondContact CB-O 3.4Å; K95-D147 HydrophobicContact CB-CB 4.44Å; K95-D147 PolarHBondContact N-O 3.03Å; K95-D147 PolarHBondContact O-N 3.15Å
148V94.4Very high89.2Confident1 Ų142.4 Ų42.41%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-103.9123.6-174.7-172.80000109.2V23 K24 L49 F56 W58 N92 F94 I146 V150V23-V148 CarbonylContact C-O 3.53Å; V23-V148 VanDerWaalsContact CA-O 3.28Å; V23-V148 WeakPolarHBondContact CA-O 3.5Å; K24-V148 PolarHBondContact N-O 3.36Å; K24-V148 PolarHBondContact O-N 3.28Å; L49-V148 HydrophobicContact CD2-CB 4.22Å; L49-V148 HydrophobicContact CD2-CG2 3.79Å; F56-V148 HydrophobicContact CD2-CG1 4.15Å; F56-V148 HydrophobicContact CE2-CG1 3.92Å; F56-V148 HydrophobicContact CZ-CG1 4.36Å; W58-V148 HydrophobicContact CH2-CG2 3.48Å; W58-V148 VanDerWaalsContact CH2-CG2 3.48Å; W58-V148 HydrophobicContact CZ2-CG2 3.74Å; N92-V148 HydrophobicContact CB-CG1 3.95Å; F94-V148 HydrophobicContact CB-CG2 4.24Å; I146-V148 HydrophobicContact CG2-CG2 3.92Å; V148-V150 PolarHBondContact O-N 3.25Å
149V91.9Very high86.8Confident32 Ų3248.7 Ų48.719%0.19427%0.271CS..EExtended strand (participates in β ladder)trans-71.8115.3170.4178.30000108.1I21 V23 N92 S93I21-V149 HydrophobicContact CG2-CB 4.31Å; I21-V149 HydrophobicContact CG2-CG1 3.56Å; I21-V149 HydrophobicContact CG2-CG2 3.84Å; V23-V149 HydrophobicContact CG2-CG2 4.33Å; N92-V149 WeakPolarHBondContact CB-O 3.19Å; N92-V149 PolarHBondContact ND2-O 3.05Å; S93-V149 PolarHBondContact O-N 3.4Å; S93-V149 WeakPolarHBondContact OG-CB 3.3Å; S93-V149 VanDerWaalsContact OG-CG2 3.31Å; S93-V149 WeakPolarHBondContact OG-CG2 3.24Å
150V90.4Very high84Confident27 Ų2751.6 Ų51.616%0.16430%0.296CS..EExtended strand (participates in β ladder)trans-97.6-35.4-178.9-71.20000111.9R22 K24 H51 V148R22-V150 HydrophobicContact CB-CG2 3.87Å; R22-V150 VanDerWaalsContact O-CG2 3.26Å; R22-V150 WeakPolarHBondContact O-CG2 3.34Å; R22-V150 PolarHBondContact O-N 3.2Å; K24-V150 HydrophobicContact CB-CG1 3.99Å; K24-V150 HydrophobicContact CD-CG1 4.16Å; K24-V150 HydrophobicContact CG-CG1 3.9Å; K24-V150 HydrophobicContact CG-CG2 4.21Å; H51-V150 WeakPolarHBondContact NE2-CB 3.35Å; V148-V150 PolarHBondContact O-N 3.25Å
151D87Confident81.2Confident66 Ų6655.6 Ų55.635%0.35332%0.324SS..EExtended strand (participates in β ladder)trans-156.9157.4-174.4-17621.2000110.4R22 V153R22-D151 HydrophobicContact CB-CB 4.12Å; R22-D151 IonicContact CZ-OD2 2.62Å; R22-D151 PolarHBondContact N-O 3.01Å; R22-D151 IonicContact NH1-OD2 2.88Å; R22-D151 PolarHBondContact NH1-OD2 3.31Å; D151-V153 VanDerWaalsContact OD2-CG2 3.28Å; D151-V153 WeakPolarHBondContact OD2-CG2 3.26Å
152T88.7Confident78.6Confident78 Ų7861.8 Ų61.848%0.47936%0.364SS..EExtended strand (participates in β ladder)trans-133.8110.8174.2-59.30000107.9T19 E20 I21T19-T152 HydrophobicContact CG2-CG2 3.59Å; E20-T152 CarbonylContact O-C 3.52Å; E20-T152 WeakPolarHBondContact O-CA 3.33Å; I21-T152 HydrophobicContact CG1-CG2 4.26Å
153V87Confident75.6Confident38 Ų3867 Ų6723%0.2340%0.396CS..EExtended strand (participates in β ladder)trans-107.4126.3-178.3-179.30000109.3T19 E20 D151 V155T19-V153 CarbonylContact C-O 3.5Å; T19-V153 VanDerWaalsContact CA-O 3.24Å; T19-V153 WeakPolarHBondContact CA-O 3.5Å; E20-V153 PolarHBondContact N-O 3.01Å; E20-V153 PolarHBondContact O-N 3.19Å; D151-V153 VanDerWaalsContact OD2-CG2 3.28Å; D151-V153 WeakPolarHBondContact OD2-CG2 3.26Å; V153-V155 HydrophobicContact CG1-CG2 4.05Å
154T86.8Confident72.5Confident81 Ų8168.7 Ų68.750%0.49742%0.415SS..EExtended strand (participates in β ladder)trans-113.8129.4170.9-57.20000109.2Y18 T19Y18-T154 CarbonylContact O-C 3.53Å; Y18-T154 VanDerWaalsContact O-CA 3.25Å; Y18-T154 WeakPolarHBondContact O-CA 3.47Å; T19-T154 WeakPolarHBondContact CG2-OG1 3.37Å; T19-T154 WeakPolarHBondContact OG1-CG2 3.12Å; T19-T154 PolarHBondContact OG1-OG1 3.06Å
155V82.3Confident69.6Low62 Ų6273.3 Ų73.338%0.37645%0.447SS..EExtended strand (participates in β ladder)trans-119.1133.4177.8-173.70000108.9S17 Y18 V153S17-V155 CarbonylContact C-O 3.6Å; S17-V155 VanDerWaalsContact CA-O 3.24Å; S17-V155 WeakPolarHBondContact CA-O 3.32Å; Y18-V155 PolarHBondContact N-O 3.32Å; Y18-V155 PolarHBondContact O-N 3.39Å; V153-V155 HydrophobicContact CG1-CG2 4.05Å
156D78.8Confident66.5Low106 Ų10679.7 Ų79.757%0.56748%0.479SS*.EExtended strand (participates in β ladder)trans-87.8139171.7-63.1-41.7000109.9S17 E158 D159S17-D156 VanDerWaalsContact CB-OD1 3.31Å; S17-D156 WeakPolarHBondContact CB-OD1 3.42Å; D156-E158 PolarHBondContact O-N 2.95Å; D156-D159 PolarHBondContact O-N 2.89Å
157A64.5Low63.5Low52 Ų5285 Ų8543%0.4351%0.511SS..G310 helixtrans-64.3-13.7-168.500000115.4S16 D159S16-A157 WeakPolarHBondContact O-CB 3.18Å; S16-A157 PolarHBondContact O-N 3.26Å; S16-A157 WeakPolarHBondContact OG-CB 3.27Å; A157-D159 VanDerWaalsContact C-N 3.3Å; A157-D159 PolarHBondContact O-N 3.46Å
158E55.7Low60.5Low157 Ų15789.4 Ų89.473%0.73454%0.544SS*.G310 helixtrans-74.9-14.6179.4-67.3-170.2160.900113.9D156D156-E158 PolarHBondContact O-N 2.95Å
159D46Very low57.4Low138 Ų13897 Ų9774%0.73858%0.577SS**G310 helixtrans-95.111.3-179-85.8-27.1000115D156 A157 S161D156-D159 PolarHBondContact O-N 2.89Å; A157-D159 VanDerWaalsContact C-N 3.3Å; A157-D159 PolarHBondContact O-N 3.46Å; D159-S161 VanDerWaalsContact C-N 3.33Å; D159-S161 PolarHBondContact O-N 3.49Å
160C34.8Very low54.3Low106 Ų106105 Ų10572%0.71661%0.605SS**  trans-83.372.6174.5-75.50000112.2
161S37.5Very low51.7Low85 Ų85112.8 Ų112.859%0.59464%0.637SS**  trans-92.9137.9151.469.60000109.1D159 V163D159-S161 VanDerWaalsContact C-N 3.33Å; D159-S161 PolarHBondContact O-N 3.49Å; S161-V163 VanDerWaalsContact C-N 3.34Å; S161-V163 PolarHBondContact O-N 3.34Å
162P41Very low49.6Very low133 Ų133115.5 Ų115.586%0.86466%0.658SS**  trans-79.385.5-170.631.7-32.2000109.4
163V34.3Very low47Very low111 Ų111117.1 Ų117.167%0.67367%0.668SS**  trans-95.2102.1171.7-173.20000108.7S161S161-V163 VanDerWaalsContact C-N 3.34Å; S161-V163 PolarHBondContact O-N 3.34Å
164S33.9Very low44.7Very low95 Ų95124.3 Ų124.366%0.66470%0.696SS**  trans-39.2136.2157.552.70000112.7
165S35.3Very low42.6Very low99 Ų99125.9 Ų125.969%0.69271%0.708SS**  trans57.988.6157.265.50000117.3
166L34Very low41.1Very low168 Ų168128.3 Ų128.388%0.8872%0.723SS**  trans-115.477.9145.7-78.1164.8000108.8C168L166-C168 PolarHBondContact O-N 2.78Å; L166-C168 VanDerWaalsContact O-N 3.13Å
167T33Very low40.2Very low111 Ų111128.1 Ų128.168%0.68172%0.722SS**  trans-62.7105151.949.40000106.9K169T167-K169 PolarHBondContact O-N 2.84Å
168C33.4Very low39.8Very low131 Ų131132.2 Ų132.289%0.88574%0.736SS**  trans-60.3120.4168.8-172.40000108.1L166L166-C168 PolarHBondContact O-N 2.78Å; L166-C168 VanDerWaalsContact O-N 3.13Å
169K30Very low40Very low162 Ų162128.3 Ų128.370%0.70472%0.724SS**  trans-94.9133.7-174.5-101-179.1-175.2175.10108.9T167T167-K169 PolarHBondContact O-N 2.84Å
170Y26.6Very low41.5Very low199 Ų199126.8 Ų126.878%0.7872%0.716SS**  trans75.694.7152.3-76.3-108.5000119.3
171F36Very low43.9Very low191 Ų191126.2 Ų126.284%0.83871%0.713SS**  -131.9130.4127-84-83.7000108.6T173F171-T173 VanDerWaalsContact C-N 3.28Å; F171-T173 PolarHBondContact O-N 2.96Å
172P41Very low46.2Very low123 Ų123128.4 Ų128.480%0.79971%0.714SS**  trans-80.582173.431.9-28.2000108.3
173T36Very low48.4Very low112 Ų112125.6 Ų125.669%0.68770%0.697SS**  trans-93.8132.9165.548.30000108.4F171F171-T173 VanDerWaalsContact C-N 3.28Å; F171-T173 PolarHBondContact O-N 2.96Å
174F37.6Very low51Low188 Ų188123.4 Ų123.483%0.82568%0.681SS**  trans-52.3133.8177.4-77.7-96.3000109.7T176F174-T176 PolarHBondContact O-N 3.29Å
175P43.2Very low53.8Low114 Ų114124.7 Ų124.774%0.7468%0.675SS**  trans-66.996.9-177.7-8.722000109.4
176T50.5Low56.6Low113 Ų113121.5 Ų121.569%0.69365%0.65SS**  trans-94.4-11.8166.650.90000112.2F174 I178F174-T176 PolarHBondContact O-N 3.29Å; T176-I178 VanDerWaalsContact C-N 3.27Å; T176-I178 PolarHBondContact O-N 3.42Å
177D59.7Low59.3Low102 Ų102116.8 Ų116.855%0.54563%0.631SS.*  trans-87.871.2166.4-70.8-11.6000108P179D177-P179 VanDerWaalsContact O-CD 3.22Å; D177-P179 WeakPolarHBondContact O-CD 3.43Å; D177-P179 VanDerWaalsContact O-N 3.15Å
178I55.4Low62.2Low139 Ų139116.4 Ų116.471%0.71363%0.625SS**PPolyproline II helixtrans-60.2116.9156.2-58.4174.1000103.6T176 D180T176-I178 VanDerWaalsContact C-N 3.27Å; T176-I178 PolarHBondContact O-N 3.42Å; I178-D180 PolarHBondContact O-N 2.97Å
179P60Low65.2Low75 Ų75111.6 Ų111.649%0.48759%0.589SS.*PPolyproline II helixtrans-55.5140.6177.3-1526000107.7D177 S181 L184D177-P179 VanDerWaalsContact O-CD 3.22Å; D177-P179 WeakPolarHBondContact O-CD 3.43Å; D177-P179 VanDerWaalsContact O-N 3.15Å; P179-S181 PolarHBondContact O-N 3.38Å; P179-S181 VanDerWaalsContact O-N 3.09Å; P179-L184 HydrophobicContact CB-CD1 3.77Å; P179-L184 HydrophobicContact CB-CD2 3.89Å; P179-L184 HydrophobicContact CB-CG 3.72Å; P179-L184 HydrophobicContact CG-CD1 3.98Å; P179-L184 HydrophobicContact CG-CD2 4.09Å; P179-L184 HydrophobicContact CG-CG 4.27Å; P179-L184 WeakPolarHBondContact O-CD1 3.44Å
180D79.1Confident68.2Low106 Ų106106.4 Ų106.457%0.56757%0.567SS**PPolyproline II helixtrans-47.3124.2-177.1175.530.8000110.1I178 E182 S183 L184I178-D180 PolarHBondContact O-N 2.97Å; D180-E182 PolarHBondContact O-N 3.09Å; D180-E182 VanDerWaalsContact O-N 3.1Å; D180-S183 WeakPolarHBondContact O-CB 3.42Å; D180-S183 PolarHBondContact O-N 2.8Å; D180-L184 PolarHBondContact O-N 3.36Å
181S84.6Confident71.4Confident94 Ų9498.6 Ų98.666%0.65754%0.543SS*.Hα-helixtrans-58.1-31-170.7-175.90000111.4P179 F185P179-S181 PolarHBondContact O-N 3.38Å; P179-S181 VanDerWaalsContact O-N 3.09Å; S181-F185 WeakPolarHBondContact O-CB 3.36Å; S181-F185 PolarHBondContact O-N 3.23Å
182E86.5Confident74.1Confident131 Ų13191.8 Ų91.861%0.61252%0.516SS*.Hα-helixtrans-69.5-45.8175.8-172.2176.2-18000111.5D180 L184 F185 I186D180-E182 PolarHBondContact O-N 3.09Å; D180-E182 VanDerWaalsContact O-N 3.1Å; E182-L184 VanDerWaalsContact C-N 3.33Å; E182-L184 PolarHBondContact O-N 2.76Å; E182-F185 PolarHBondContact O-N 2.8Å; E182-I186 HydrophobicContact CG-CD1 4.15Å; E182-I186 VanDerWaalsContact O-CG1 3.31Å; E182-I186 WeakPolarHBondContact O-CG1 3.26Å; E182-I186 PolarHBondContact O-N 2.78Å
183S85.9Confident76.7Confident73 Ų7387.2 Ų87.251%0.5148%0.484SS..Hα-helixtrans-62.2-38.8175.7-175.60000112.6D180 S187D180-S183 WeakPolarHBondContact O-CB 3.42Å; D180-S183 PolarHBondContact O-N 2.8Å; S183-S187 WeakPolarHBondContact O-CB 3.33Å; S183-S187 PolarHBondContact O-N 2.89Å
184L89.4Confident79.5Confident66 Ų6687.8 Ų87.835%0.34648%0.479SS..Hα-helixtrans-64.4-48.6174.6-75.5171.4000111P179 D180 E182 I186 S187 D188P179-L184 HydrophobicContact CB-CD1 3.77Å; P179-L184 HydrophobicContact CB-CD2 3.89Å; P179-L184 HydrophobicContact CB-CG 3.72Å; P179-L184 HydrophobicContact CG-CD1 3.98Å; P179-L184 HydrophobicContact CG-CD2 4.09Å; P179-L184 HydrophobicContact CG-CG 4.27Å; P179-L184 WeakPolarHBondContact O-CD1 3.44Å; D180-L184 PolarHBondContact O-N 3.36Å; E182-L184 VanDerWaalsContact C-N 3.33Å; E182-L184 PolarHBondContact O-N 2.76Å; L184-I186 VanDerWaalsContact C-N 3.3Å; L184-I186 PolarHBondContact O-N 3.1Å; L184-S187 WeakPolarHBondContact O-CA 3.47Å; L184-S187 WeakPolarHBondContact O-CB 3.32Å; L184-S187 PolarHBondContact O-N 2.91Å; L184-D188 VanDerWaalsContact O-CG 3.27Å; L184-D188 PolarHBondContact O-N 2.85Å
185F93.1Very high82Confident122 Ų12284.9 Ų84.954%0.53547%0.472SS..Hα-helixtrans-55-46.4177175.4-104.7000111.7S181 E182 S187 D188 M189S181-F185 WeakPolarHBondContact O-CB 3.36Å; S181-F185 PolarHBondContact O-N 3.23Å; E182-F185 PolarHBondContact O-N 2.8Å; F185-S187 VanDerWaalsContact C-N 3.32Å; F185-S187 PolarHBondContact O-N 2.87Å; F185-D188 PolarHBondContact O-N 3.03Å; F185-M189 HydrophobicContact CD1-CG 4.25Å; F185-M189 HydrophobicContact CD2-CG 4.2Å; F185-M189 HydrophobicContact CE1-CG 3.86Å; F185-M189 HydrophobicContact CE2-CG 3.8Å; F185-M189 HydrophobicContact CE2-SD 3.88Å; F185-M189 HydrophobicContact CG-CG 4.41Å; F185-M189 HydrophobicContact CZ-CE 4.33Å; F185-M189 HydrophobicContact CZ-CG 3.62Å; F185-M189 HydrophobicContact CZ-SD 3.82Å; F185-M189 WeakPolarHBondContact O-CB 3.39Å; F185-M189 WeakPolarHBondContact O-CG 3.35Å; F185-M189 PolarHBondContact O-N 2.84Å
186I93.5Very high84.2Confident32 Ų3280.3 Ų80.316%0.16445%0.446CS..Hα-helixtrans-62.6-39.4177.8-67166.7000111.5E182 L184 M189 K190E182-I186 HydrophobicContact CG-CD1 4.15Å; E182-I186 VanDerWaalsContact O-CG1 3.31Å; E182-I186 WeakPolarHBondContact O-CG1 3.26Å; E182-I186 PolarHBondContact O-N 2.78Å; L184-I186 VanDerWaalsContact C-N 3.3Å; L184-I186 PolarHBondContact O-N 3.1Å; I186-M189 PolarHBondContact O-N 3.27Å; I186-K190 HydrophobicContact CG2-CD 4.47Å; I186-K190 WeakPolarHBondContact O-CG 3.3Å; I186-K190 PolarHBondContact O-N 3.08Å
187S91.5Very high86Confident68 Ų6877 Ų7748%0.47643%0.43SS..Hα-helixtrans-63.9-45.3175.5-172.90000111.8S183 L184 F185 M189 K190 A191S183-S187 WeakPolarHBondContact O-CB 3.33Å; S183-S187 PolarHBondContact O-N 2.89Å; L184-S187 WeakPolarHBondContact O-CA 3.47Å; L184-S187 WeakPolarHBondContact O-CB 3.32Å; L184-S187 PolarHBondContact O-N 2.91Å; F185-S187 VanDerWaalsContact C-N 3.32Å; F185-S187 PolarHBondContact O-N 2.87Å; S187-M189 VanDerWaalsContact C-N 3.32Å; S187-M189 PolarHBondContact O-N 3.07Å; S187-K190 PolarHBondContact O-N 2.82Å; S187-A191 PolarHBondContact O-N 2.78Å
188D93.4Very high87.6Confident103 Ų10382.4 Ų82.455%0.55144%0.444SS*.Hα-helixtrans-63.8-39.5178.4-66-21.3000111L184 F185 A191 L192L184-D188 VanDerWaalsContact O-CG 3.27Å; L184-D188 PolarHBondContact O-N 2.85Å; F185-D188 PolarHBondContact O-N 3.03Å; D188-A191 PolarHBondContact O-N 2.82Å; D188-L192 WeakPolarHBondContact O-CB 3.14Å; D188-L192 PolarHBondContact O-N 3.48Å
189M96Very high89.4Confident30 Ų3077.6 Ų77.615%0.14843%0.425CS..Hα-helixtrans-66.4-38.6175.6-68.3-64.9-72.100112.4F185 I186 S187 L192 L193 I216 Y258F185-M189 HydrophobicContact CD1-CG 4.25Å; F185-M189 HydrophobicContact CD2-CG 4.2Å; F185-M189 HydrophobicContact CE1-CG 3.86Å; F185-M189 HydrophobicContact CE2-CG 3.8Å; F185-M189 HydrophobicContact CE2-SD 3.88Å; F185-M189 HydrophobicContact CG-CG 4.41Å; F185-M189 HydrophobicContact CZ-CE 4.33Å; F185-M189 HydrophobicContact CZ-CG 3.62Å; F185-M189 HydrophobicContact CZ-SD 3.82Å; F185-M189 WeakPolarHBondContact O-CB 3.39Å; F185-M189 WeakPolarHBondContact O-CG 3.35Å; F185-M189 PolarHBondContact O-N 2.84Å; I186-M189 PolarHBondContact O-N 3.27Å; S187-M189 VanDerWaalsContact C-N 3.32Å; S187-M189 PolarHBondContact O-N 3.07Å; M189-L192 WeakPolarHBondContact O-CB 3.44Å; M189-L192 PolarHBondContact O-N 2.86Å; M189-L192 HydrophobicContact SD-CD2 4.41Å; M189-L193 PolarHBondContact O-N 2.93Å; M189-I216 HydrophobicContact CE-CD1 3.49Å; M189-I216 VanDerWaalsContact CE-CD1 3.49Å; M189-I216 HydrophobicContact CE-CG1 3.98Å; M189-I216 HydrophobicContact CE-CG2 4.14Å; M189-I216 HydrophobicContact SD-CD1 4.44Å; M189-Y258 WeakPolarHBondContact CB-O 3.26Å; M189-Y258 HydrophobicContact CE-CD1 4.29Å; M189-Y258 VanDerWaalsContact O-CD1 3.31Å; M189-Y258 WeakPolarHBondContact O-CD1 3.49Å
190K93.8Very high91Very high54 Ų5477.6 Ų77.624%0.23542%0.421CS..Hα-helixtrans-63.2-45.8172.4-73.2175-177.2179.30111.1I186 S187 L192 L193 E194I186-K190 HydrophobicContact CG2-CD 4.47Å; I186-K190 WeakPolarHBondContact O-CG 3.3Å; I186-K190 PolarHBondContact O-N 3.08Å; S187-K190 PolarHBondContact O-N 2.82Å; K190-L192 VanDerWaalsContact C-N 3.27Å; K190-L192 PolarHBondContact O-N 2.85Å; K190-L193 PolarHBondContact O-N 2.92Å; K190-E194 WeakPolarHBondContact O-CG 3.17Å; K190-E194 PolarHBondContact O-N 3.02Å
191A93Very high91.7Very high34 Ų3472.7 Ų72.728%0.28140%0.395SS..Hα-helixtrans-62.5-34.4177.300000112.3S187 D188 E194 N195S187-A191 PolarHBondContact O-N 2.78Å; D188-A191 PolarHBondContact O-N 2.82Å; A191-E194 PolarHBondContact O-N 3.27Å; A191-N195 VanDerWaalsContact O-CB 3.25Å; A191-N195 WeakPolarHBondContact O-CB 3.24Å; A191-N195 PolarHBondContact O-N 3.45Å; A191-N195 PolarHBondContact O-ND2 2.79Å
192L94.2Very high92.2Very high49 Ų4970 Ų7026%0.25738%0.376SS..Hα-helixtrans-62-42175.5-178.463.1000112D188 M189 K190 G196 A197 H213 I216 Y258D188-L192 WeakPolarHBondContact O-CB 3.14Å; D188-L192 PolarHBondContact O-N 3.48Å; M189-L192 WeakPolarHBondContact O-CB 3.44Å; M189-L192 PolarHBondContact O-N 2.86Å; M189-L192 HydrophobicContact SD-CD2 4.41Å; K190-L192 VanDerWaalsContact C-N 3.27Å; K190-L192 PolarHBondContact O-N 2.85Å; L192-G196 PolarHBondContact O-N 3.25Å; L192-G196 VanDerWaalsContact O-N 3.16Å; L192-A197 WeakPolarHBondContact CD1-O 3.26Å; L192-H213 VanDerWaalsContact CG-CE1 3.49Å; L192-H213 WeakPolarHBondContact CG-CE1 3.3Å; L192-I216 HydrophobicContact CD2-CD1 3.63Å; L192-Y258 HydrophobicContact CD2-CE1 4.35Å; L192-Y258 HydrophobicContact CG-CE1 4.4Å
193L95.1Very high92.7Very high26 Ų2663.9 Ų63.914%0.13635%0.347CS..Hα-helixtrans-66.5-48.5174175.961.7000111.6M189 K190 N195 G196 I210 V254 Y258M189-L193 PolarHBondContact O-N 2.93Å; K190-L193 PolarHBondContact O-N 2.92Å; L193-N195 PolarHBondContact O-N 2.85Å; L193-G196 PolarHBondContact O-N 3.38Å; L193-I210 HydrophobicContact CD1-CG2 4.27Å; L193-V254 HydrophobicContact CD1-CG1 3.61Å; L193-V254 HydrophobicContact CD2-CG1 3.92Å; L193-V254 HydrophobicContact CG-CG1 4.44Å; L193-Y258 HydrophobicContact CB-CD1 3.82Å; L193-Y258 HydrophobicContact CB-CD2 4.36Å; L193-Y258 HydrophobicContact CB-CE1 3.94Å; L193-Y258 HydrophobicContact CB-CE2 4.47Å; L193-Y258 HydrophobicContact CB-CG 4.02Å; L193-Y258 HydrophobicContact CD1-CD2 4.31Å; L193-Y258 HydrophobicContact CD1-CE2 3.93Å; L193-Y258 HydrophobicContact CD2-CD2 4.15Å; L193-Y258 HydrophobicContact CD2-CG 4.3Å
194E93.5Very high93.3Very high125 Ų12562 Ų6258%0.58433%0.334SS*.Hα-helixtrans-65.3-37.3-175.5-71.3171.5-178.600112.6K190 A191 R255K190-E194 WeakPolarHBondContact O-CG 3.17Å; K190-E194 PolarHBondContact O-N 3.02Å; A191-E194 PolarHBondContact O-N 3.27Å; E194-R255 IonicContact OE1-NH1 3.43Å
195N91.7Very high93.6Very high127 Ų12759 Ų5968%0.67932%0.318SS*.Hα-helixtrans-82.4-23.1178.7-65.4-33.9000113.2A191 L193 A197A191-N195 VanDerWaalsContact O-CB 3.25Å; A191-N195 WeakPolarHBondContact O-CB 3.24Å; A191-N195 PolarHBondContact O-N 3.45Å; A191-N195 PolarHBondContact O-ND2 2.79Å; L193-N195 PolarHBondContact O-N 2.85Å; N195-A197 PolarHBondContact O-N 3.18Å; N195-A197 VanDerWaalsContact O-N 3.15Å
196G89.6Confident93.7Very high18 Ų1856.4 Ų56.419%0.18633%0.326CS..  trans6315.4-176.400000114.8L192 L193 Y198 A199L192-G196 PolarHBondContact O-N 3.25Å; L192-G196 VanDerWaalsContact O-N 3.16Å; L193-G196 PolarHBondContact O-N 3.38Å; G196-Y198 PolarHBondContact O-N 2.9Å; G196-A199 WeakPolarHBondContact O-CB 3.41Å; G196-A199 PolarHBondContact O-N 2.98Å
197A87.2Confident93.6Very high44 Ų4458.4 Ų58.436%0.36436%0.355SS..THydrogen-bonded Turntrans-65.7125.8-177.500000110.6L192 N195 A199 H213L192-A197 WeakPolarHBondContact CD1-O 3.26Å; N195-A197 PolarHBondContact O-N 3.18Å; N195-A197 VanDerWaalsContact O-N 3.15Å; A197-A199 VanDerWaalsContact C-N 3.25Å; A197-A199 PolarHBondContact O-N 2.77Å; A197-H213 PolarHBondContact O-NE2 3.3Å
198Y92.4Very high93.8Very high215 Ų21559 Ų5984%0.84335%0.352SS*.THydrogen-bonded Turntrans67.216.5-176.6-44.9-77000115.6G196 D200 H213G196-Y198 PolarHBondContact O-N 2.9Å; Y198-D200 PolarHBondContact O-N 3.07Å; Y198-H213 PolarHBondContact O-CD2 3.27Å; Y198-H213 VanDerWaalsContact O-CD2 3.32Å
199A93.9Very high93.9Very high37 Ų3758.1 Ų58.131%0.30635%0.35SS..  trans-58.2128.5172.300000111G196 A197 P211 A212 H213G196-A199 WeakPolarHBondContact O-CB 3.41Å; G196-A199 PolarHBondContact O-N 2.98Å; A197-A199 VanDerWaalsContact C-N 3.25Å; A197-A199 PolarHBondContact O-N 2.77Å; A199-P211 HydrophobicContact CB-CB 3.71Å; A199-A212 WeakPolarHBondContact CA-O 3.43Å; A199-A212 WeakPolarHBondContact CB-O 3.33Å; A199-H213 PolarHBondContact N-NE2 3.21Å
200D93.3Very high94Very high76 Ų7657.5 Ų57.541%0.40635%0.348SS..  trans-119.311.8-178.365.5-15.3000112.2Y198 A212 H213 R214Y198-D200 PolarHBondContact O-N 3.07Å; D200-A212 PolarHBondContact N-O 3.41Å; D200-A212 VanDerWaalsContact N-O 3.14Å; D200-H213 VanDerWaalsContact OD1-CA 3.29Å; D200-H213 WeakPolarHBondContact OD1-CA 3.44Å; D200-R214 PolarHBondContact O-NE 3.16Å; D200-R214 WeakPolarHBondContact OD1-CG 3.35Å; D200-R214 PolarHBondContact OD1-N 3.35Å; D200-R214 WeakPolarHBondContact OD2-CD 3.42Å
201F94.7Very high94.1Very high3 Ų357.4 Ų57.41%0.01335%0.353CS..EExtended strand (participates in β ladder)trans-149.1153.6176.8-157.2-111.8000111.1I203 A212 R214 L217 L228 E234 C238 L240F201-I203 HydrophobicContact CD1-CG1 4.2Å; F201-I203 HydrophobicContact CE1-CG1 4.17Å; F201-A212 PolarHBondContact N-O 2.97Å; F201-A212 PolarHBondContact O-N 2.91Å; F201-A212 VanDerWaalsContact O-O 3.05Å; F201-R214 HydrophobicContact CB-CG 3.8Å; F201-R214 HydrophobicContact CD2-CG 4.11Å; F201-R214 HydrophobicContact CG-CG 4.2Å; F201-L217 HydrophobicContact CD1-CD1 3.68Å; F201-L217 HydrophobicContact CE1-CD1 4.26Å; F201-L217 HydrophobicContact CG-CD1 4.42Å; F201-L228 HydrophobicContact CD2-CD2 3.82Å; F201-L228 HydrophobicContact CE1-CD2 4.48Å; F201-L228 HydrophobicContact CE2-CD2 3.47Å; F201-L228 VanDerWaalsContact CE2-CD2 3.47Å; F201-L228 HydrophobicContact CG-CD2 4.47Å; F201-L228 HydrophobicContact CZ-CD2 3.84Å; F201-E234 WeakPolarHBondContact CE2-O 3.44Å; F201-E234 HydrophobicContact CZ-CB 4.25Å; F201-C238 CarbonylContact C-O 3.6Å; F201-C238 WeakPolarHBondContact CA-O 3.3Å; F201-C238 WeakPolarHBondContact CD2-O 3.45Å; F201-L240 HydrophobicContact CE1-CB 3.67Å; F201-L240 HydrophobicContact CZ-CB 3.71Å
202S95.6Very high94.3Very high38 Ų3855.8 Ų55.827%0.26634%0.339SS..EExtended strand (participates in β ladder)trans-132.5132.5176-65.10000110.9C238 T239 L240S202-C238 PolarHBondContact N-O 3.41Å; S202-T239 CarbonylContact O-C 3.45Å; S202-T239 VanDerWaalsContact O-CA 3.24Å; S202-T239 WeakPolarHBondContact O-CA 3.48Å; S202-L240 PolarHBondContact O-N 3.47Å
203I97.2Very high94.3Very high1 Ų154 Ų541%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-103.4118.8172.6-61.8171000107.8F201 T209 I210 L217 F224 L240 I242 I250 V254F201-I203 HydrophobicContact CD1-CG1 4.2Å; F201-I203 HydrophobicContact CE1-CG1 4.17Å; I203-T209 CarbonylContact O-C 3.59Å; I203-T209 WeakPolarHBondContact O-CA 3.28Å; I203-I210 HydrophobicContact CB-CB 4.4Å; I203-I210 PolarHBondContact N-O 3.46Å; I203-I210 PolarHBondContact O-N 2.79Å; I203-L217 HydrophobicContact CD1-CD1 4.33Å; I203-L217 HydrophobicContact CD1-CD2 4.32Å; I203-F224 HydrophobicContact CD1-CE1 4.42Å; I203-F224 HydrophobicContact CD1-CZ 4.2Å; I203-L240 CarbonylContact C-O 3.55Å; I203-L240 WeakPolarHBondContact CA-O 3.19Å; I203-I242 HydrophobicContact CG2-CD1 3.45Å; I203-I242 VanDerWaalsContact CG2-CD1 3.45Å; I203-I242 HydrophobicContact CG2-CG1 4.05Å; I203-I250 HydrophobicContact CG2-CG2 3.91Å; I203-V254 HydrophobicContact CD1-CG2 3.77Å
204S96.7Very high94.3Very high35 Ų3555.6 Ų55.625%0.24533%0.334CS..EExtended strand (participates in β ladder)trans-98.8127.7175.7-166.60000110.2I208 L240 I242S204-I208 CarbonylContact C-O 3.6Å; S204-I208 VanDerWaalsContact CA-O 3.3Å; S204-I208 WeakPolarHBondContact CA-O 3.47Å; S204-L240 PolarHBondContact N-O 2.91Å; S204-I242 PolarHBondContact O-N 2.93Å
205V97.2Very high94.3Very high1 Ų153.9 Ų53.91%0.00633%0.334CS..EExtended strand (participates in β ladder)trans-147123.7179.557.30000109.7G207 I208 I210 I242 F245 P247 I250V205-G207 PolarHBondContact O-N 3Å; V205-G207 VanDerWaalsContact O-N 3.1Å; V205-I208 PolarHBondContact N-O 2.93Å; V205-I208 WeakPolarHBondContact O-CA 3.43Å; V205-I208 WeakPolarHBondContact O-CB 3.42Å; V205-I208 PolarHBondContact O-N 3.12Å; V205-I210 HydrophobicContact CG1-CD1 4.12Å; V205-I242 WeakPolarHBondContact CA-O 3.46Å; V205-I242 HydrophobicContact CB-CB 4.37Å; V205-F245 WeakPolarHBondContact CG2-O 3.43Å; V205-P247 HydrophobicContact CG1-CB 4.23Å; V205-P247 HydrophobicContact CG2-CB 4.4Å; V205-P247 HydrophobicContact CG2-CG 4.29Å; V205-I250 HydrophobicContact CB-CB 4.41Å; V205-I250 HydrophobicContact CB-CG1 4.34Å; V205-I250 HydrophobicContact CB-CG2 4.42Å; V205-I250 HydrophobicContact CG1-CB 4.06Å; V205-I250 HydrophobicContact CG1-CG2 4.01Å; V205-I250 HydrophobicContact CG2-CB 4.24Å; V205-I250 HydrophobicContact CG2-CG1 3.83Å
206G94.2Very high94.6Very high68 Ų6848.7 Ų48.770%0.70131%0.306SS*.THydrogen-bonded Turntrans53.933.117900000114.6I208G206-I208 PolarHBondContact O-N 3.18Å
207G92.3Very high95Very high75 Ų7547.8 Ų47.877%0.77330%0.298SS*.THydrogen-bonded Turntrans79.2-4.2-175.900000115.3V205V205-G207 PolarHBondContact O-N 3Å; V205-G207 VanDerWaalsContact O-N 3.1Å
208I95.5Very high95.3Very high80 Ų8047.1 Ų47.141%0.4129%0.292SS..EExtended strand (participates in β ladder)trans-88.1141.4171.3-63.1171.5000108.6S204 V205 G206 I210 P247S204-I208 CarbonylContact C-O 3.6Å; S204-I208 VanDerWaalsContact CA-O 3.3Å; S204-I208 WeakPolarHBondContact CA-O 3.47Å; V205-I208 PolarHBondContact N-O 2.93Å; V205-I208 WeakPolarHBondContact O-CA 3.43Å; V205-I208 WeakPolarHBondContact O-CB 3.42Å; V205-I208 PolarHBondContact O-N 3.12Å; G206-I208 PolarHBondContact O-N 3.18Å; I208-I210 HydrophobicContact CG2-CG1 4.39Å; I208-P247 HydrophobicContact CD1-CB 3.86Å; I208-P247 HydrophobicContact CD1-CG 4.32Å
209T95.4Very high95.5Very high84 Ų8440.7 Ų40.752%0.51528%0.283SS..EExtended strand (participates in β ladder)trans-114.7124174.2-58.10000109.7I203I203-T209 CarbonylContact O-C 3.59Å; I203-T209 WeakPolarHBondContact O-CA 3.28Å
210I97Very high95.6Very high18 Ų1844.7 Ų44.79%0.09229%0.29CS..EExtended strand (participates in β ladder)trans-105.2110.6178.8-56.3170.1000107.9L193 I203 V205 I208 I250 Q251 V254L193-I210 HydrophobicContact CD1-CG2 4.27Å; I203-I210 HydrophobicContact CB-CB 4.4Å; I203-I210 PolarHBondContact N-O 3.46Å; I203-I210 PolarHBondContact O-N 2.79Å; V205-I210 HydrophobicContact CG1-CD1 4.12Å; I208-I210 HydrophobicContact CG2-CG1 4.39Å; I210-I250 HydrophobicContact CD1-CG2 3.96Å; I210-Q251 HydrophobicContact CD1-CG 3.77Å; I210-V254 HydrophobicContact CG2-CG1 4.23Å
211P96Very high95.8Very high52 Ų5241.1 Ų41.134%0.33827%0.272SS..EExtended strand (participates in β ladder)trans-67.4136.4172.928.4-32.8000110.2A199A199-P211 HydrophobicContact CB-CB 3.71Å
212A96.9Very high95.7Very high0 Ų046.4 Ų46.40%030%0.3CS..EExtended strand (participates in β ladder)trans-146.4171.2-176.900000112.5A199 D200 F201 L217 Y258A199-A212 WeakPolarHBondContact CA-O 3.43Å; A199-A212 WeakPolarHBondContact CB-O 3.33Å; D200-A212 PolarHBondContact N-O 3.41Å; D200-A212 VanDerWaalsContact N-O 3.14Å; F201-A212 PolarHBondContact N-O 2.97Å; F201-A212 PolarHBondContact O-N 2.91Å; F201-A212 VanDerWaalsContact O-O 3.05Å; A212-L217 HydrophobicContact CB-CD1 3.95Å; A212-L217 HydrophobicContact CB-CG 4.41Å; A212-Y258 WeakPolarHBondContact CA-OH 3.49Å
213H95.9Very high95.6Very high11 Ų1146.9 Ų46.95%0.05130%0.301CS..  trans-114.5120.2-177.4-56.685.1000110L192 A197 Y198 A199 D200 C215 I216 L217 Y258L192-H213 VanDerWaalsContact CG-CE1 3.49Å; L192-H213 WeakPolarHBondContact CG-CE1 3.3Å; A197-H213 PolarHBondContact O-NE2 3.3Å; Y198-H213 PolarHBondContact O-CD2 3.27Å; Y198-H213 VanDerWaalsContact O-CD2 3.32Å; A199-H213 PolarHBondContact N-NE2 3.21Å; D200-H213 VanDerWaalsContact OD1-CA 3.29Å; D200-H213 WeakPolarHBondContact OD1-CA 3.44Å; H213-C215 PolarHBondContact O-N 3.43Å; H213-I216 HydrophobicContact CB-CB 4.32Å; H213-I216 HydrophobicContact CB-CD1 3.94Å; H213-I216 HydrophobicContact CB-CG1 4.12Å; H213-I216 PolarHBondContact O-N 3.16Å; H213-I216 VanDerWaalsContact O-N 3.12Å; H213-L217 WeakPolarHBondContact O-CG 3.48Å; H213-L217 PolarHBondContact O-N 3.16Å; H213-Y258 PolarHBondContact N-OH 3.01Å; H213-Y258 AromaticContact ND1-CE1 3.63Å; H213-Y258 AromaticContact ND1-CZ 3.61Å; H213-Y258 PolarHBondContact ND1-OH 3.31Å
214R94.1Very high95.5Very high60 Ų6046.9 Ų46.923%0.22630%0.301CS..Hα-helixtrans-52.3-43.8-179.5-66.8177.7178.8-142.5-9.2111.9D200 F201 I216 L217 A218 L228 S235 C238D200-R214 PolarHBondContact O-NE 3.16Å; D200-R214 WeakPolarHBondContact OD1-CG 3.35Å; D200-R214 PolarHBondContact OD1-N 3.35Å; D200-R214 WeakPolarHBondContact OD2-CD 3.42Å; F201-R214 HydrophobicContact CB-CG 3.8Å; F201-R214 HydrophobicContact CD2-CG 4.11Å; F201-R214 HydrophobicContact CG-CG 4.2Å; R214-I216 VanDerWaalsContact C-N 3.34Å; R214-I216 PolarHBondContact O-N 3.45Å; R214-L217 PolarHBondContact O-N 3.33Å; R214-A218 VanDerWaalsContact O-CB 3.25Å; R214-A218 WeakPolarHBondContact O-CB 3.41Å; R214-A218 PolarHBondContact O-N 3.3Å; R214-L228 HydrophobicContact CB-CD1 3.99Å; R214-L228 HydrophobicContact CG-CD1 4.27Å; R214-L228 HydrophobicContact CG-CD2 4.13Å; R214-S235 PolarHBondContact NH1-O 2.78Å; R214-S235 PolarHBondContact NH2-O 3.15Å; R214-C238 PolarHBondContact NH2-SG 3.33Å
215C94.7Very high95.3Very high88 Ų8846.6 Ų46.660%0.59530%0.301SS*.Hα-helixtrans-63.1-38.6-177.459.70000112.6H213 A219H213-C215 PolarHBondContact O-N 3.43Å; C215-A219 WeakPolarHBondContact O-CB 3.25Å; C215-A219 PolarHBondContact O-N 2.71Å
216I97.3Very high94.9Very high18 Ų1848.8 Ų48.89%0.09232%0.319CS..Hα-helixtrans-74.2-45.9179-61.3172000109.7M189 L192 H213 R214 A218 A219 R220 I257 Y258M189-I216 HydrophobicContact CE-CD1 3.49Å; M189-I216 VanDerWaalsContact CE-CD1 3.49Å; M189-I216 HydrophobicContact CE-CG1 3.98Å; M189-I216 HydrophobicContact CE-CG2 4.14Å; M189-I216 HydrophobicContact SD-CD1 4.44Å; L192-I216 HydrophobicContact CD2-CD1 3.63Å; H213-I216 HydrophobicContact CB-CB 4.32Å; H213-I216 HydrophobicContact CB-CD1 3.94Å; H213-I216 HydrophobicContact CB-CG1 4.12Å; H213-I216 PolarHBondContact O-N 3.16Å; H213-I216 VanDerWaalsContact O-N 3.12Å; R214-I216 VanDerWaalsContact C-N 3.34Å; R214-I216 PolarHBondContact O-N 3.45Å; I216-A218 PolarHBondContact O-N 3.25Å; I216-A219 PolarHBondContact O-N 3.24Å; I216-R220 HydrophobicContact CG2-CG 4.35Å; I216-R220 WeakPolarHBondContact O-CB 3.35Å; I216-R220 WeakPolarHBondContact O-CG 3.38Å; I216-R220 PolarHBondContact O-N 3.12Å; I216-I257 HydrophobicContact CG2-CG2 4.01Å; I216-Y258 HydrophobicContact CB-CE1 4.46Å; I216-Y258 HydrophobicContact CD1-CD1 3.84Å; I216-Y258 HydrophobicContact CD1-CE1 3.35Å; I216-Y258 HydrophobicContact CG1-CE1 4.47Å; I216-Y258 HydrophobicContact CG2-CD1 4.18Å; I216-Y258 HydrophobicContact CG2-CD2 4.08Å; I216-Y258 HydrophobicContact CG2-CE1 4.21Å; I216-Y258 HydrophobicContact CG2-CE2 4.09Å; I216-Y258 HydrophobicContact CG2-CG 4.14Å
217L97Very high94.7Very high0 Ų047.1 Ų47.10%029%0.293CS..Hα-helixtrans-56.3-50.6176.5-66.4174.2000111.2F201 I203 A212 H213 R214 R220 S221 F224 L228 I257F201-L217 HydrophobicContact CD1-CD1 3.68Å; F201-L217 HydrophobicContact CE1-CD1 4.26Å; F201-L217 HydrophobicContact CG-CD1 4.42Å; I203-L217 HydrophobicContact CD1-CD1 4.33Å; I203-L217 HydrophobicContact CD1-CD2 4.32Å; A212-L217 HydrophobicContact CB-CD1 3.95Å; A212-L217 HydrophobicContact CB-CG 4.41Å; H213-L217 WeakPolarHBondContact O-CG 3.48Å; H213-L217 PolarHBondContact O-N 3.16Å; R214-L217 PolarHBondContact O-N 3.33Å; L217-R220 PolarHBondContact O-N 3.05Å; L217-S221 PolarHBondContact O-N 3.26Å; L217-F224 HydrophobicContact CB-CB 3.92Å; L217-F224 HydrophobicContact CB-CD1 4.28Å; L217-F224 HydrophobicContact CB-CD2 4.29Å; L217-F224 HydrophobicContact CB-CG 3.93Å; L217-F224 HydrophobicContact CD1-CD1 4.31Å; L217-F224 HydrophobicContact CD1-CE1 4.39Å; L217-F224 HydrophobicContact CD2-CD2 4.26Å; L217-F224 HydrophobicContact CD2-CE2 4.19Å; L217-F224 HydrophobicContact CD2-CZ 4.36Å; L217-L228 HydrophobicContact CB-CD1 4.24Å; L217-I257 HydrophobicContact CD2-CD1 3.96Å; L217-I257 HydrophobicContact CD2-CG2 4.13Å
218A94.6Very high94.5Very high30 Ų3044.7 Ų44.725%0.24826%0.263CS..Hα-helixtrans-66-37.7179.700000113.1R214 I216 R220 A225 L228R214-A218 VanDerWaalsContact O-CB 3.25Å; R214-A218 WeakPolarHBondContact O-CB 3.41Å; R214-A218 PolarHBondContact O-N 3.3Å; I216-A218 PolarHBondContact O-N 3.25Å; A218-R220 PolarHBondContact O-N 2.76Å; A218-A225 HydrophobicContact CB-CB 4.01Å; A218-A225 WeakPolarHBondContact O-CB 3.42Å; A218-L228 HydrophobicContact CB-CD1 4.34Å
219A95.8Very high93.8Very high80 Ų8047.6 Ų47.666%0.66128%0.278SS*.Hα-helixtrans-68-23.4178.700000113.1C215 I216C215-A219 WeakPolarHBondContact O-CB 3.25Å; C215-A219 PolarHBondContact O-N 2.71Å; I216-A219 PolarHBondContact O-N 3.24Å
220R96.4Very high92.6Very high120 Ų12049.1 Ų49.145%0.45328%0.279SS..Hα-helixtrans-109.1-16.8-171-58.5-63.7-64.3141-0.5113.5I216 L217 A218 I257 L281I216-R220 HydrophobicContact CG2-CG 4.35Å; I216-R220 WeakPolarHBondContact O-CB 3.35Å; I216-R220 WeakPolarHBondContact O-CG 3.38Å; I216-R220 PolarHBondContact O-N 3.12Å; L217-R220 PolarHBondContact O-N 3.05Å; A218-R220 PolarHBondContact O-N 2.76Å; R220-I257 HydrophobicContact CB-CG2 3.8Å; R220-I257 HydrophobicContact CG-CG2 4.07Å; R220-I257 WeakPolarHBondContact CG-O 3.32Å; R220-L281 WeakPolarHBondContact O-CD2 3.48Å
221S97.1Very high91.2Very high2 Ų253.3 Ų53.31%0.01432%0.317CS..  trans-139.3123.5178.8165.60000110.7L217 V223 F224 A225 Y279L217-S221 PolarHBondContact O-N 3.26Å; S221-V223 PolarHBondContact O-N 3.2Å; S221-V223 PolarHBondContact OG-N 3.04Å; S221-F224 PolarHBondContact O-N 2.92Å; S221-F224 WeakPolarHBondContact OG-CD2 3.4Å; S221-F224 PolarHBondContact OG-N 2.77Å; S221-A225 WeakPolarHBondContact O-CB 3.47Å; S221-A225 PolarHBondContact O-N 3.01Å; S221-Y279 PolarHBondContact OG-O 3.4Å
222N93.1Very high90Very high114 Ų11452.9 Ų52.961%0.6131%0.313SS*.Hα-helixtrans-63.1-29.5175.8-68.2-32.1000112.5A225 A226N222-A225 PolarHBondContact O-N 3Å; N222-A226 WeakPolarHBondContact O-CB 3.24Å; N222-A226 PolarHBondContact O-N 3.41Å
223V94.3Very high88.9Confident48 Ų4859.2 Ų59.229%0.29134%0.343SS..Hα-helixtrans-69.9-47.3177.8176.30000110.1S221 A225 A226 M227 Y279 N280S221-V223 PolarHBondContact O-N 3.2Å; S221-V223 PolarHBondContact OG-N 3.04Å; V223-A225 VanDerWaalsContact C-N 3.32Å; V223-A225 PolarHBondContact O-N 2.96Å; V223-A226 PolarHBondContact O-N 3.26Å; V223-M227 VanDerWaalsContact O-CB 3.27Å; V223-M227 WeakPolarHBondContact O-CB 3.43Å; V223-M227 PolarHBondContact O-N 2.83Å; V223-Y279 HydrophobicContact CG1-CD1 4.15Å; V223-N280 HydrophobicContact CG2-CB 3.81Å
224F94.3Very high88Confident0 Ų061.4 Ų61.40%035%0.353CS..Hα-helixtrans-62.9-39172.5-79-64.7000111.8I203 L217 S221 A226 M227 L228 L240 I257 Y279I203-F224 HydrophobicContact CD1-CE1 4.42Å; I203-F224 HydrophobicContact CD1-CZ 4.2Å; L217-F224 HydrophobicContact CB-CB 3.92Å; L217-F224 HydrophobicContact CB-CD1 4.28Å; L217-F224 HydrophobicContact CB-CD2 4.29Å; L217-F224 HydrophobicContact CB-CG 3.93Å; L217-F224 HydrophobicContact CD1-CD1 4.31Å; L217-F224 HydrophobicContact CD1-CE1 4.39Å; L217-F224 HydrophobicContact CD2-CD2 4.26Å; L217-F224 HydrophobicContact CD2-CE2 4.19Å; L217-F224 HydrophobicContact CD2-CZ 4.36Å; S221-F224 PolarHBondContact O-N 2.92Å; S221-F224 WeakPolarHBondContact OG-CD2 3.4Å; S221-F224 PolarHBondContact OG-N 2.77Å; F224-A226 PolarHBondContact O-N 3.3Å; F224-M227 HydrophobicContact CD1-SD 4.31Å; F224-M227 PolarHBondContact O-N 2.87Å; F224-L228 HydrophobicContact CB-CD1 4.44Å; F224-L228 VanDerWaalsContact O-CB 3.26Å; F224-L228 WeakPolarHBondContact O-CB 3.46Å; F224-L228 WeakPolarHBondContact O-CD1 3.17Å; F224-L228 WeakPolarHBondContact O-CG 3.39Å; F224-L228 PolarHBondContact O-N 2.91Å; F224-L240 HydrophobicContact CE1-CD2 3.57Å; F224-L240 HydrophobicContact CZ-CD2 4.15Å; F224-I257 HydrophobicContact CD2-CD1 4.2Å; F224-I257 HydrophobicContact CE2-CD1 3.82Å; F224-Y279 HydrophobicContact CD2-CD1 4.16Å; F224-Y279 HydrophobicContact CE1-CD1 4.46Å; F224-Y279 HydrophobicContact CE1-CE1 4.25Å; F224-Y279 AromaticContact CE2-CD1 3.61Å; F224-Y279 HydrophobicContact CE2-CD1 3.61Å; F224-Y279 HydrophobicContact CE2-CE1 4.07Å; F224-Y279 HydrophobicContact CE2-CG 4.1Å; F224-Y279 AromaticContact CZ-CD1 3.78Å; F224-Y279 HydrophobicContact CZ-CD1 3.78Å; F224-Y279 AromaticContact CZ-CE1 3.73Å; F224-Y279 HydrophobicContact CZ-CE1 3.73Å
225A91.8Very high86.8Confident30 Ų3059.5 Ų59.525%0.24835%0.349CS..Hα-helixtrans-59.2-48.8176.200000111.9A218 S221 N222 V223 L228 L229A218-A225 HydrophobicContact CB-CB 4.01Å; A218-A225 WeakPolarHBondContact O-CB 3.42Å; S221-A225 WeakPolarHBondContact O-CB 3.47Å; S221-A225 PolarHBondContact O-N 3.01Å; N222-A225 PolarHBondContact O-N 3Å; V223-A225 VanDerWaalsContact C-N 3.32Å; V223-A225 PolarHBondContact O-N 2.96Å; A225-L228 PolarHBondContact O-N 2.88Å; A225-L229 WeakPolarHBondContact O-CB 3.29Å; A225-L229 PolarHBondContact O-N 2.88Å
226A89.5Confident85.9Confident46 Ų4664.3 Ų64.338%0.3836%0.355SS..Hα-helixtrans-63.8-45.4177.700000111.8N222 V223 F224 L228 L229 H230N222-A226 WeakPolarHBondContact O-CB 3.24Å; N222-A226 PolarHBondContact O-N 3.41Å; V223-A226 PolarHBondContact O-N 3.26Å; F224-A226 PolarHBondContact O-N 3.3Å; A226-L228 VanDerWaalsContact C-N 3.34Å; A226-L228 PolarHBondContact O-N 3.33Å; A226-L229 PolarHBondContact O-N 2.85Å; A226-H230 PolarHBondContact O-CD2 3.35Å; A226-H230 PolarHBondContact O-N 2.87Å
227M90.4Very high85.1Confident33 Ų3365.9 Ų65.916%0.16337%0.365CS..Hα-helixtrans-59.4-41.8178-176.8-169.8-61.300112.2V223 F224 T232 E234 L240V223-M227 VanDerWaalsContact O-CB 3.27Å; V223-M227 WeakPolarHBondContact O-CB 3.43Å; V223-M227 PolarHBondContact O-N 2.83Å; F224-M227 HydrophobicContact CD1-SD 4.31Å; F224-M227 PolarHBondContact O-N 2.87Å; M227-T232 WeakPolarHBondContact O-CG2 3.26Å; M227-T232 PolarHBondContact O-OG1 2.96Å; M227-E234 HydrophobicContact CG-CB 4.19Å; M227-E234 HydrophobicContact CG-CG 4.39Å; M227-E234 HydrophobicContact SD-CB 4.19Å; M227-E234 HydrophobicContact SD-CG 4.13Å; M227-L240 HydrophobicContact CE-CD1 4.11Å; M227-L240 HydrophobicContact CE-CD2 4.14Å; M227-L240 HydrophobicContact SD-CD1 3.96Å; M227-L240 HydrophobicContact SD-CD2 4.03Å; M227-L240 HydrophobicContact SD-CG 4.44Å
228L87.4Confident84.6Confident25 Ų2568.4 Ų68.413%0.13138%0.382CS..Hα-helixtrans-85.6-23.6-175.6-66.1169.7000113.6F201 R214 L217 A218 F224 A225 A226F201-L228 HydrophobicContact CD2-CD2 3.82Å; F201-L228 HydrophobicContact CE1-CD2 4.48Å; F201-L228 HydrophobicContact CE2-CD2 3.47Å; F201-L228 VanDerWaalsContact CE2-CD2 3.47Å; F201-L228 HydrophobicContact CG-CD2 4.47Å; F201-L228 HydrophobicContact CZ-CD2 3.84Å; R214-L228 HydrophobicContact CB-CD1 3.99Å; R214-L228 HydrophobicContact CG-CD1 4.27Å; R214-L228 HydrophobicContact CG-CD2 4.13Å; L217-L228 HydrophobicContact CB-CD1 4.24Å; A218-L228 HydrophobicContact CB-CD1 4.34Å; F224-L228 HydrophobicContact CB-CD1 4.44Å; F224-L228 VanDerWaalsContact O-CB 3.26Å; F224-L228 WeakPolarHBondContact O-CB 3.46Å; F224-L228 WeakPolarHBondContact O-CD1 3.17Å; F224-L228 WeakPolarHBondContact O-CG 3.39Å; F224-L228 PolarHBondContact O-N 2.91Å; A225-L228 PolarHBondContact O-N 2.88Å; A226-L228 VanDerWaalsContact C-N 3.34Å; A226-L228 PolarHBondContact O-N 3.33Å
229L80Confident84.4Confident141 Ų14170.1 Ų70.174%0.73839%0.39SS*.Hα-helixtrans-77.8-40.5179.2-178.566.7000112.1A225 A226A225-L229 WeakPolarHBondContact O-CB 3.29Å; A225-L229 PolarHBondContact O-N 2.88Å; A226-L229 PolarHBondContact O-N 2.85Å
230H70.7Confident84.3Confident115 Ų11566.8 Ų66.853%0.53236%0.361SS..THydrogen-bonded Turntrans-79.9149.5177.7-62.7-53.7000109.9A226 T232 S235A226-H230 PolarHBondContact O-CD2 3.35Å; A226-H230 PolarHBondContact O-N 2.87Å; H230-T232 HydrophobicContact CB-CG2 3.89Å; H230-T232 PolarHBondContact O-N 3.05Å; H230-S235 VanDerWaalsContact O-CB 3.26Å; H230-S235 WeakPolarHBondContact O-CB 3.46Å; H230-S235 PolarHBondContact O-OG 3.07Å; H230-S235 VanDerWaalsContact O-OG 3.12Å
231A67.1Low84.3Confident107 Ų10768.2 Ų68.288%0.88437%0.372SS*.THydrogen-bonded Turntrans-70.653.8174.700000111.5S235A231-S235 WeakPolarHBondContact CA-OG 3.35Å
232T72.4Confident84.3Confident42 Ų4268.3 Ų68.326%0.25837%0.373SS..  trans-71.2168.1173.376.20000110M227 H230 E234 S235 R236M227-T232 WeakPolarHBondContact O-CG2 3.26Å; M227-T232 PolarHBondContact O-OG1 2.96Å; H230-T232 HydrophobicContact CB-CG2 3.89Å; H230-T232 PolarHBondContact O-N 3.05Å; T232-E234 WeakPolarHBondContact CB-OE2 3.37Å; T232-E234 PolarHBondContact O-N 2.97Å; T232-E234 PolarHBondContact OG1-N 3.03Å; T232-E234 PolarHBondContact OG1-OE2 3.46Å; T232-S235 PolarHBondContact N-OG 3.38Å; T232-S235 VanDerWaalsContact N-OG 3.13Å; T232-S235 PolarHBondContact O-N 2.91Å; T232-S235 PolarHBondContact O-OG 3.1Å; T232-S235 PolarHBondContact OG1-N 2.87Å; T232-R236 PolarHBondContact O-N 2.62Å
233E73.4Confident84.4Confident134 Ų13468.5 Ų68.563%0.62638%0.378SS*.Hα-helixtrans-56.8-43.4177.5-177.9164.1-165.600111.5S235 R236 T237E233-S235 PolarHBondContact O-N 2.88Å; E233-R236 WeakPolarHBondContact O-CB 3.39Å; E233-R236 PolarHBondContact O-N 2.78Å; E233-R236 VanDerWaalsContact O-N 3.1Å; E233-T237 HydrophobicContact CG-CG2 4.09Å; E233-T237 WeakPolarHBondContact O-CG2 3.18Å; E233-T237 PolarHBondContact O-N 2.88Å; E233-T237 PolarHBondContact O-OG1 3.26Å
234E76.1Confident84.5Confident57 Ų5770.2 Ų70.227%0.26639%0.386SS..Hα-helixtrans-62.9-40179.9-54.982.5177.300112.1F201 M227 T232 R236 T237 C238 L240F201-E234 WeakPolarHBondContact CE2-O 3.44Å; F201-E234 HydrophobicContact CZ-CB 4.25Å; M227-E234 HydrophobicContact CG-CB 4.19Å; M227-E234 HydrophobicContact CG-CG 4.39Å; M227-E234 HydrophobicContact SD-CB 4.19Å; M227-E234 HydrophobicContact SD-CG 4.13Å; T232-E234 WeakPolarHBondContact CB-OE2 3.37Å; T232-E234 PolarHBondContact O-N 2.97Å; T232-E234 PolarHBondContact OG1-N 3.03Å; T232-E234 PolarHBondContact OG1-OE2 3.46Å; E234-R236 PolarHBondContact O-N 2.78Å; E234-T237 WeakPolarHBondContact CA-OG1 3.29Å; E234-T237 PolarHBondContact O-OG1 3.08Å; E234-C238 WeakPolarHBondContact O-CA 3.48Å; E234-C238 PolarHBondContact O-N 2.96Å; E234-L240 HydrophobicContact CG-CB 4.44Å; E234-L240 HydrophobicContact CG-CD1 3.89Å
235S68.8Low84.7Confident20 Ų2071.3 Ų71.314%0.1439%0.391CS..Hα-helixtrans-62-33.817678.60000112.3R214 H230 A231 T232 E233R214-S235 PolarHBondContact NH1-O 2.78Å; R214-S235 PolarHBondContact NH2-O 3.15Å; H230-S235 VanDerWaalsContact O-CB 3.26Å; H230-S235 WeakPolarHBondContact O-CB 3.46Å; H230-S235 PolarHBondContact O-OG 3.07Å; H230-S235 VanDerWaalsContact O-OG 3.12Å; A231-S235 WeakPolarHBondContact CA-OG 3.35Å; T232-S235 PolarHBondContact N-OG 3.38Å; T232-S235 VanDerWaalsContact N-OG 3.13Å; T232-S235 PolarHBondContact O-N 2.91Å; T232-S235 PolarHBondContact O-OG 3.1Å; T232-S235 PolarHBondContact OG1-N 2.87Å; E233-S235 PolarHBondContact O-N 2.88Å
236R75.9Confident85Confident188 Ų18876.4 Ų76.471%0.70941%0.409SS*.Hα-helixtrans-84.8-38.4-176.5-173.2-17667.392.92.1112.4T232 E233 E234T232-R236 PolarHBondContact O-N 2.62Å; E233-R236 WeakPolarHBondContact O-CB 3.39Å; E233-R236 PolarHBondContact O-N 2.78Å; E233-R236 VanDerWaalsContact O-N 3.1Å; E234-R236 PolarHBondContact O-N 2.78Å
237T82.2Confident85.4Confident52 Ų5275.2 Ų75.232%0.31940%0.398SS..Hα-helixtrans-83-17.9179.256.70000112.5E233 E234 T239E233-T237 HydrophobicContact CG-CG2 4.09Å; E233-T237 WeakPolarHBondContact O-CG2 3.18Å; E233-T237 PolarHBondContact O-N 2.88Å; E233-T237 PolarHBondContact O-OG1 3.26Å; E234-T237 WeakPolarHBondContact CA-OG1 3.29Å; E234-T237 PolarHBondContact O-OG1 3.08Å; T237-T239 WeakPolarHBondContact CB-OG1 3.39Å; T237-T239 PolarHBondContact O-N 3.48Å; T237-T239 PolarHBondContact OG1-N 2.8Å; T237-T239 PolarHBondContact OG1-O 2.65Å; T237-T239 PolarHBondContact OG1-OG1 2.73Å; T237-T239 VanDerWaalsContact OG1-OG1 3.07Å
238C85.8Confident85.7Confident53 Ų5376.6 Ų76.636%0.35841%0.406SS..SBendtrans6220-168.9-45.60000113F201 S202 R214 E234F201-C238 CarbonylContact C-O 3.6Å; F201-C238 WeakPolarHBondContact CA-O 3.3Å; F201-C238 WeakPolarHBondContact CD2-O 3.45Å; S202-C238 PolarHBondContact N-O 3.41Å; R214-C238 PolarHBondContact NH2-SG 3.33Å; E234-C238 WeakPolarHBondContact O-CA 3.48Å; E234-C238 PolarHBondContact O-N 2.96Å
239T91.1Very high86.2Confident66 Ų6675.5 Ų75.541%0.40540%0.4SS..EExtended strand (participates in β ladder)trans-135.6133.4-176.761.30000111.2S202 T237S202-T239 CarbonylContact O-C 3.45Å; S202-T239 VanDerWaalsContact O-CA 3.24Å; S202-T239 WeakPolarHBondContact O-CA 3.48Å; T237-T239 WeakPolarHBondContact CB-OG1 3.39Å; T237-T239 PolarHBondContact O-N 3.48Å; T237-T239 PolarHBondContact OG1-N 2.8Å; T237-T239 PolarHBondContact OG1-O 2.65Å; T237-T239 PolarHBondContact OG1-OG1 2.73Å; T237-T239 VanDerWaalsContact OG1-OG1 3.07Å
240L93.8Very high87.1Confident10 Ų1068.8 Ų68.85%0.05237%0.365CS..EExtended strand (participates in β ladder)trans-110.4124.9168.1171.465.8000109.2F201 S202 I203 S204 F224 M227 E234 I242 Y279F201-L240 HydrophobicContact CE1-CB 3.67Å; F201-L240 HydrophobicContact CZ-CB 3.71Å; S202-L240 PolarHBondContact O-N 3.47Å; I203-L240 CarbonylContact C-O 3.55Å; I203-L240 WeakPolarHBondContact CA-O 3.19Å; S204-L240 PolarHBondContact N-O 2.91Å; F224-L240 HydrophobicContact CE1-CD2 3.57Å; F224-L240 HydrophobicContact CZ-CD2 4.15Å; M227-L240 HydrophobicContact CE-CD1 4.11Å; M227-L240 HydrophobicContact CE-CD2 4.14Å; M227-L240 HydrophobicContact SD-CD1 3.96Å; M227-L240 HydrophobicContact SD-CD2 4.03Å; M227-L240 HydrophobicContact SD-CG 4.44Å; E234-L240 HydrophobicContact CG-CB 4.44Å; E234-L240 HydrophobicContact CG-CD1 3.89Å; L240-I242 HydrophobicContact CD2-CD1 4.02Å; L240-I242 HydrophobicContact CD2-CG1 3.98Å; L240-I242 HydrophobicContact CG-CD1 4.49Å; L240-I242 HydrophobicContact CG-CG1 3.95Å; L240-Y279 HydrophobicContact CD2-CE1 4.47Å
241E95.1Very high88.4Confident149 Ų14967 Ų6770%0.69636%0.357SS*.EExtended strand (participates in β ladder)trans-94.6126.6171-170.8176.6-174.300110T243E241-T243 HydrophobicContact CG-CG2 4.03Å
242I96.8Very high89.9Confident4 Ų462.4 Ų62.42%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-116.7117177.7-57.3178.4000108I203 S204 V205 L240 D244 F245 I250 Y279I203-I242 HydrophobicContact CG2-CD1 3.45Å; I203-I242 VanDerWaalsContact CG2-CD1 3.45Å; I203-I242 HydrophobicContact CG2-CG1 4.05Å; S204-I242 PolarHBondContact O-N 2.93Å; V205-I242 WeakPolarHBondContact CA-O 3.46Å; V205-I242 HydrophobicContact CB-CB 4.37Å; L240-I242 HydrophobicContact CD2-CD1 4.02Å; L240-I242 HydrophobicContact CD2-CG1 3.98Å; L240-I242 HydrophobicContact CG-CD1 4.49Å; L240-I242 HydrophobicContact CG-CG1 3.95Å; I242-D244 WeakPolarHBondContact CG2-OD1 3.12Å; I242-F245 HydrophobicContact CG2-CB 4.36Å; I242-F245 HydrophobicContact CG2-CD2 3.88Å; I242-I250 HydrophobicContact CD1-CD1 3.93Å; I242-I250 HydrophobicContact CD1-CG1 4.19Å; I242-I250 HydrophobicContact CD1-CG2 3.97Å; I242-I250 HydrophobicContact CG2-CD1 3.98Å; I242-I250 HydrophobicContact CG2-CG1 4.05Å; I242-Y279 WeakPolarHBondContact CD1-OH 3.39Å; I242-Y279 WeakPolarHBondContact CG1-OH 3.25Å
243T96.7Very high91.1Very high118 Ų11860.5 Ų60.572%0.72431%0.305SS*.  trans-114.1-7.7-176.661.40000113.6E241E241-T243 HydrophobicContact CG-CG2 4.03Å
244D96.2Very high92.3Very high84 Ų8454.2 Ų54.245%0.44928%0.276SS..SBendtrans-102.76.1-17263.2-38.7000114.2I242 K278I242-D244 WeakPolarHBondContact CG2-OD1 3.12Å; D244-K278 IonicContact OD1-NZ 3.93Å; D244-K278 PolarHBondContact OD1-NZ 3.17Å; D244-K278 IonicContact OD2-NZ 2.9Å; D244-K278 PolarHBondContact OD2-NZ 3.46Å
245F97.8Very high93.3Very high24 Ų2454.9 Ų54.911%0.10528%0.276CS..SBendtrans-137.7150.4176.3-64.9-79.2000111.7V205 I242 V249 I250 T274 A275 K278V205-F245 WeakPolarHBondContact CG2-O 3.43Å; I242-F245 HydrophobicContact CG2-CB 4.36Å; I242-F245 HydrophobicContact CG2-CD2 3.88Å; F245-V249 HydrophobicContact CB-CB 4.49Å; F245-V249 HydrophobicContact CD1-CG1 4.11Å; F245-I250 HydrophobicContact CB-CD1 3.69Å; F245-I250 HydrophobicContact CB-CG1 3.77Å; F245-I250 HydrophobicContact CD2-CD1 3.91Å; F245-I250 HydrophobicContact CG-CD1 3.92Å; F245-T274 HydrophobicContact CE1-CG2 3.78Å; F245-T274 HydrophobicContact CZ-CG2 3.95Å; F245-A275 HydrophobicContact CD1-CB 4.05Å; F245-A275 HydrophobicContact CE1-CB 3.67Å; F245-A275 HydrophobicContact CE2-CB 4.4Å; F245-A275 HydrophobicContact CZ-CB 3.86Å; F245-K278 HydrophobicContact CE2-CD 3.61Å; F245-K278 HydrophobicContact CZ-CD 4.11Å
246E97.3Very high94.7Very high136 Ų13654.1 Ų54.164%0.63627%0.27SS*.  trans-64.3146.5170-70.5-61147.700111.3D248 V249 I250E246-D248 PolarHBondContact O-N 2.92Å; E246-D248 VanDerWaalsContact O-N 3.14Å; E246-V249 HydrophobicContact CB-CG2 4.24Å; E246-V249 WeakPolarHBondContact O-CB 3.27Å; E246-V249 PolarHBondContact O-N 3.36Å; E246-V249 VanDerWaalsContact O-N 3.09Å; E246-I250 PolarHBondContact O-N 3.08Å
247P97.9Very high95.8Very high21 Ų2145.2 Ų45.214%0.13624%0.237CC..Hα-helixtrans-55.6-34.4-178.6-2734.7000114.4V205 I208 V249 I250 Q251V205-P247 HydrophobicContact CG1-CB 4.23Å; V205-P247 HydrophobicContact CG2-CB 4.4Å; V205-P247 HydrophobicContact CG2-CG 4.29Å; I208-P247 HydrophobicContact CD1-CB 3.86Å; I208-P247 HydrophobicContact CD1-CG 4.32Å; P247-V249 VanDerWaalsContact C-N 3.35Å; P247-I250 PolarHBondContact O-N 3.29Å; P247-Q251 WeakPolarHBondContact O-CB 3.32Å; P247-Q251 VanDerWaalsContact O-CG 3.26Å; P247-Q251 WeakPolarHBondContact O-CG 3.48Å; P247-Q251 PolarHBondContact O-N 2.92Å; P247-Q251 PolarHBondContact O-NE2 3.5Å
248D97.7Very high96.5Very high63 Ų6343.2 Ų43.234%0.33722%0.223SC..Hα-helixtrans-66.4-36.4-179.5-79.26.7000112.4E246 Q251 E252 R264 L268E246-D248 PolarHBondContact O-N 2.92Å; E246-D248 VanDerWaalsContact O-N 3.14Å; D248-Q251 PolarHBondContact O-N 3.17Å; D248-E252 PolarHBondContact O-N 3.42Å; D248-E252 VanDerWaalsContact O-N 3.07Å; D248-R264 IonicContact OD1-NH1 3.41Å; D248-R264 IonicContact OD2-CZ 3.72Å; D248-R264 IonicContact OD2-NH1 3.61Å; D248-R264 PolarHBondContact OD2-NH1 3.33Å; D248-R264 IonicContact OD2-NH2 3.17Å; D248-R264 PolarHBondContact OD2-NH2 3.37Å; D248-L268 HydrophobicContact CB-CD1 4.12Å
249V98.4Very high97Very high1 Ų141.1 Ų41.11%0.00621%0.209CC..Hα-helixtrans-66.4-45.2177.6179.70000109.8F245 E246 P247 E252 L253 L268 D271 L272 A275F245-V249 HydrophobicContact CB-CB 4.49Å; F245-V249 HydrophobicContact CD1-CG1 4.11Å; E246-V249 HydrophobicContact CB-CG2 4.24Å; E246-V249 WeakPolarHBondContact O-CB 3.27Å; E246-V249 PolarHBondContact O-N 3.36Å; E246-V249 VanDerWaalsContact O-N 3.09Å; P247-V249 VanDerWaalsContact C-N 3.35Å; V249-E252 PolarHBondContact O-N 3.34Å; V249-L253 VanDerWaalsContact O-CB 3.32Å; V249-L253 WeakPolarHBondContact O-CB 3.14Å; V249-L253 PolarHBondContact O-N 2.72Å; V249-L268 HydrophobicContact CG2-CD2 4.48Å; V249-D271 HydrophobicContact CB-CB 4.49Å; V249-D271 HydrophobicContact CG1-CB 4.08Å; V249-D271 HydrophobicContact CG2-CB 3.58Å; V249-L272 HydrophobicContact CG1-CD2 3.94Å; V249-L272 HydrophobicContact CG1-CG 4.25Å; V249-A275 HydrophobicContact CG1-CB 3.98Å
250I98.3Very high97.1Very high0 Ų039.4 Ų39.40%020%0.204CC..Hα-helixtrans-68.9-37178.6-61.2-51.8000111.7I203 V205 I210 I242 F245 E246 P247 E252 L253 V254I203-I250 HydrophobicContact CG2-CG2 3.91Å; V205-I250 HydrophobicContact CB-CB 4.41Å; V205-I250 HydrophobicContact CB-CG1 4.34Å; V205-I250 HydrophobicContact CB-CG2 4.42Å; V205-I250 HydrophobicContact CG1-CB 4.06Å; V205-I250 HydrophobicContact CG1-CG2 4.01Å; V205-I250 HydrophobicContact CG2-CB 4.24Å; V205-I250 HydrophobicContact CG2-CG1 3.83Å; I210-I250 HydrophobicContact CD1-CG2 3.96Å; I242-I250 HydrophobicContact CD1-CD1 3.93Å; I242-I250 HydrophobicContact CD1-CG1 4.19Å; I242-I250 HydrophobicContact CD1-CG2 3.97Å; I242-I250 HydrophobicContact CG2-CD1 3.98Å; I242-I250 HydrophobicContact CG2-CG1 4.05Å; F245-I250 HydrophobicContact CB-CD1 3.69Å; F245-I250 HydrophobicContact CB-CG1 3.77Å; F245-I250 HydrophobicContact CD2-CD1 3.91Å; F245-I250 HydrophobicContact CG-CD1 3.92Å; E246-I250 PolarHBondContact O-N 3.08Å; P247-I250 PolarHBondContact O-N 3.29Å; I250-E252 PolarHBondContact O-N 3.05Å; I250-L253 HydrophobicContact CD1-CD2 4.11Å; I250-L253 WeakPolarHBondContact O-CB 3.41Å; I250-L253 PolarHBondContact O-N 3.37Å; I250-V254 HydrophobicContact CG2-CG2 4.31Å; I250-V254 VanDerWaalsContact O-CG2 3.28Å; I250-V254 WeakPolarHBondContact O-CG2 3.44Å; I250-V254 PolarHBondContact O-N 3.34Å
251Q97.6Very high97.1Very high78 Ų7843 Ų4336%0.36422%0.221SC..Hα-helixtrans-60.5-45.2173.9-77.1171.563.700111.9I210 P247 D248 V254 R255I210-Q251 HydrophobicContact CD1-CG 3.77Å; P247-Q251 WeakPolarHBondContact O-CB 3.32Å; P247-Q251 VanDerWaalsContact O-CG 3.26Å; P247-Q251 WeakPolarHBondContact O-CG 3.48Å; P247-Q251 PolarHBondContact O-N 2.92Å; P247-Q251 PolarHBondContact O-NE2 3.5Å; D248-Q251 PolarHBondContact O-N 3.17Å; Q251-V254 PolarHBondContact O-N 3.39Å; Q251-R255 WeakPolarHBondContact O-CB 3.4Å; Q251-R255 PolarHBondContact O-N 3.34Å
252E97.7Very high97Very high11 Ų1137 Ų375%0.05120%0.195CC..Hα-helixtrans-70.2-36.1176.9-77.5-66.5117.900112.6D248 V249 I250 V254 R255 F256 C262 N263 R264 L268 L272D248-E252 PolarHBondContact O-N 3.42Å; D248-E252 VanDerWaalsContact O-N 3.07Å; V249-E252 PolarHBondContact O-N 3.34Å; I250-E252 PolarHBondContact O-N 3.05Å; E252-V254 PolarHBondContact O-N 3.5Å; E252-R255 PolarHBondContact O-N 3.48Å; E252-R255 WeakPolarHBondContact OE1-CD 3.47Å; E252-R255 IonicContact OE1-NE 3.53Å; E252-R255 PolarHBondContact OE1-NE 2.91Å; E252-F256 WeakPolarHBondContact O-CB 3.43Å; E252-F256 PolarHBondContact O-N 2.88Å; E252-C262 PolarHBondContact OE2-SG 3.13Å; E252-C262 VanDerWaalsContact OE2-SG 3.36Å; E252-N263 PolarHBondContact OE2-N 3.19Å; E252-R264 HydrophobicContact CG-CB 4.11Å; E252-R264 HydrophobicContact CG-CG 4.32Å; E252-R264 PolarHBondContact OE2-N 3.18Å; E252-L268 HydrophobicContact CG-CD1 4.24Å; E252-L272 HydrophobicContact CB-CD1 4.47Å; E252-L272 HydrophobicContact CB-CD2 4.02Å
253L98.5Very high96.8Very high1 Ų142.1 Ų42.11%0.00522%0.222CC..Hα-helixtrans-57.4-48.9172.2-174.384000111.1V249 I250 F256 I257 A275 Y279 L281 L284V249-L253 VanDerWaalsContact O-CB 3.32Å; V249-L253 WeakPolarHBondContact O-CB 3.14Å; V249-L253 PolarHBondContact O-N 2.72Å; I250-L253 HydrophobicContact CD1-CD2 4.11Å; I250-L253 WeakPolarHBondContact O-CB 3.41Å; I250-L253 PolarHBondContact O-N 3.37Å; L253-F256 WeakPolarHBondContact O-CB 3.32Å; L253-F256 PolarHBondContact O-N 3.1Å; L253-I257 WeakPolarHBondContact O-CG1 3.08Å; L253-I257 PolarHBondContact O-N 3.15Å; L253-A275 HydrophobicContact CD1-CB 4Å; L253-Y279 HydrophobicContact CD2-CD2 3.45Å; L253-Y279 VanDerWaalsContact CD2-CD2 3.45Å; L253-Y279 HydrophobicContact CD2-CE2 3.76Å; L253-Y279 HydrophobicContact CD2-CG 4.18Å; L253-L281 HydrophobicContact CD1-CD1 3.51Å; L253-L281 HydrophobicContact CG-CD1 4.09Å; L253-L284 HydrophobicContact CD1-CD2 3.85Å
254V98.1Very high96.8Very high2 Ų239.8 Ų39.81%0.01220%0.201CC..Hα-helixtrans-68-40.9178.91780000110.6L193 I203 I210 I250 Q251 E252 F256 I257 Y258L193-V254 HydrophobicContact CD1-CG1 3.61Å; L193-V254 HydrophobicContact CD2-CG1 3.92Å; L193-V254 HydrophobicContact CG-CG1 4.44Å; I203-V254 HydrophobicContact CD1-CG2 3.77Å; I210-V254 HydrophobicContact CG2-CG1 4.23Å; I250-V254 HydrophobicContact CG2-CG2 4.31Å; I250-V254 VanDerWaalsContact O-CG2 3.28Å; I250-V254 WeakPolarHBondContact O-CG2 3.44Å; I250-V254 PolarHBondContact O-N 3.34Å; Q251-V254 PolarHBondContact O-N 3.39Å; E252-V254 PolarHBondContact O-N 3.5Å; V254-F256 VanDerWaalsContact C-N 3.27Å; V254-F256 PolarHBondContact O-N 3.46Å; V254-I257 WeakPolarHBondContact O-CB 3.28Å; V254-I257 PolarHBondContact O-N 3.17Å; V254-I257 VanDerWaalsContact O-N 3.16Å; V254-Y258 HydrophobicContact CG1-CD2 4.14Å; V254-Y258 HydrophobicContact CG1-CE2 3.95Å; V254-Y258 WeakPolarHBondContact O-CD2 3.43Å; V254-Y258 PolarHBondContact O-N 2.86Å
255R97.7Very high96.7Very high72 Ų7237.1 Ų37.127%0.27219%0.186SC..Hα-helixtrans-56.9-42.5173.1-176-173.4-71-82-0.7111.5E194 Q251 E252 Y258 S259E194-R255 IonicContact OE1-NH1 3.43Å; Q251-R255 WeakPolarHBondContact O-CB 3.4Å; Q251-R255 PolarHBondContact O-N 3.34Å; E252-R255 PolarHBondContact O-N 3.48Å; E252-R255 WeakPolarHBondContact OE1-CD 3.47Å; E252-R255 IonicContact OE1-NE 3.53Å; E252-R255 PolarHBondContact OE1-NE 2.91Å; R255-Y258 PolarHBondContact O-N 2.76Å; R255-S259 WeakPolarHBondContact O-CB 3.5Å; R255-S259 PolarHBondContact O-N 2.67Å; R255-S259 VanDerWaalsContact O-N 3.12Å; R255-S259 PolarHBondContact O-OG 2.8Å
256F98.3Very high96.6Very high4 Ų442 Ų422%0.01821%0.213CC..Hα-helixtrans-64-43.2176.6-178.2-88.9000111.7E252 L253 V254 Y258 S259 G260 H261 C262 L281 D283 L284E252-F256 WeakPolarHBondContact O-CB 3.43Å; E252-F256 PolarHBondContact O-N 2.88Å; L253-F256 WeakPolarHBondContact O-CB 3.32Å; L253-F256 PolarHBondContact O-N 3.1Å; V254-F256 VanDerWaalsContact C-N 3.27Å; V254-F256 PolarHBondContact O-N 3.46Å; F256-Y258 VanDerWaalsContact C-N 3.26Å; F256-Y258 PolarHBondContact O-N 3.07Å; F256-S259 PolarHBondContact O-N 3.38Å; F256-G260 VanDerWaalsContact CE2-O 3.3Å; F256-G260 WeakPolarHBondContact CE2-O 3.49Å; F256-G260 WeakPolarHBondContact O-CA 3.43Å; F256-G260 PolarHBondContact O-N 2.86Å; F256-H261 WeakPolarHBondContact CA-O 3.38Å; F256-C262 HydrophobicContact CD2-CB 4.24Å; F256-L281 HydrophobicContact CD1-CD1 4.46Å; F256-D283 HydrophobicContact CZ-CB 4.07Å; F256-L284 HydrophobicContact CB-CD2 4.21Å; F256-L284 HydrophobicContact CD1-CB 3.78Å; F256-L284 HydrophobicContact CD1-CD2 4.09Å; F256-L284 HydrophobicContact CD1-CG 4.36Å; F256-L284 HydrophobicContact CD2-CB 4.29Å; F256-L284 HydrophobicContact CD2-CD1 3.8Å; F256-L284 HydrophobicContact CD2-CG 4.45Å; F256-L284 HydrophobicContact CE1-CB 3.59Å; F256-L284 HydrophobicContact CE2-CB 4.09Å; F256-L284 HydrophobicContact CE2-CD1 4.11Å; F256-L284 HydrophobicContact CG-CB 4.14Å; F256-L284 HydrophobicContact CG-CD1 4.04Å; F256-L284 HydrophobicContact CG-CD2 4.04Å; F256-L284 HydrophobicContact CG-CG 4.3Å; F256-L284 HydrophobicContact CZ-CB 3.75Å
257I98.3Very high96.5Very high1 Ų141.6 Ų41.61%0.00521%0.211CC..Hα-helixtrans-54.6-43.5177.2-75.3167000111.6I216 L217 R220 F224 L253 V254 L281I216-I257 HydrophobicContact CG2-CG2 4.01Å; L217-I257 HydrophobicContact CD2-CD1 3.96Å; L217-I257 HydrophobicContact CD2-CG2 4.13Å; R220-I257 HydrophobicContact CB-CG2 3.8Å; R220-I257 HydrophobicContact CG-CG2 4.07Å; R220-I257 WeakPolarHBondContact CG-O 3.32Å; F224-I257 HydrophobicContact CD2-CD1 4.2Å; F224-I257 HydrophobicContact CE2-CD1 3.82Å; L253-I257 WeakPolarHBondContact O-CG1 3.08Å; L253-I257 PolarHBondContact O-N 3.15Å; V254-I257 WeakPolarHBondContact O-CB 3.28Å; V254-I257 PolarHBondContact O-N 3.17Å; V254-I257 VanDerWaalsContact O-N 3.16Å; I257-L281 HydrophobicContact CD1-CD1 4.21Å; I257-L281 HydrophobicContact CG1-CD1 3.92Å; I257-L281 HydrophobicContact CG1-CD2 4.23Å
258Y97.9Very high96.5Very high10 Ų1041.6 Ų41.64%0.03921%0.21CC..Hα-helixtrans-76.4-31.2-178.1-82.8-109.4000114M189 L192 L193 A212 H213 I216 V254 R255 F256M189-Y258 WeakPolarHBondContact CB-O 3.26Å; M189-Y258 HydrophobicContact CE-CD1 4.29Å; M189-Y258 VanDerWaalsContact O-CD1 3.31Å; M189-Y258 WeakPolarHBondContact O-CD1 3.49Å; L192-Y258 HydrophobicContact CD2-CE1 4.35Å; L192-Y258 HydrophobicContact CG-CE1 4.4Å; L193-Y258 HydrophobicContact CB-CD1 3.82Å; L193-Y258 HydrophobicContact CB-CD2 4.36Å; L193-Y258 HydrophobicContact CB-CE1 3.94Å; L193-Y258 HydrophobicContact CB-CE2 4.47Å; L193-Y258 HydrophobicContact CB-CG 4.02Å; L193-Y258 HydrophobicContact CD1-CD2 4.31Å; L193-Y258 HydrophobicContact CD1-CE2 3.93Å; L193-Y258 HydrophobicContact CD2-CD2 4.15Å; L193-Y258 HydrophobicContact CD2-CG 4.3Å; A212-Y258 WeakPolarHBondContact CA-OH 3.49Å; H213-Y258 PolarHBondContact N-OH 3.01Å; H213-Y258 AromaticContact ND1-CE1 3.63Å; H213-Y258 AromaticContact ND1-CZ 3.61Å; H213-Y258 PolarHBondContact ND1-OH 3.31Å; I216-Y258 HydrophobicContact CB-CE1 4.46Å; I216-Y258 HydrophobicContact CD1-CD1 3.84Å; I216-Y258 HydrophobicContact CD1-CE1 3.35Å; I216-Y258 HydrophobicContact CG1-CE1 4.47Å; I216-Y258 HydrophobicContact CG2-CD1 4.18Å; I216-Y258 HydrophobicContact CG2-CD2 4.08Å; I216-Y258 HydrophobicContact CG2-CE1 4.21Å; I216-Y258 HydrophobicContact CG2-CE2 4.09Å; I216-Y258 HydrophobicContact CG2-CG 4.14Å; V254-Y258 HydrophobicContact CG1-CD2 4.14Å; V254-Y258 HydrophobicContact CG1-CE2 3.95Å; V254-Y258 WeakPolarHBondContact O-CD2 3.43Å; V254-Y258 PolarHBondContact O-N 2.86Å; R255-Y258 PolarHBondContact O-N 2.76Å; F256-Y258 VanDerWaalsContact C-N 3.26Å; F256-Y258 PolarHBondContact O-N 3.07Å
259S95Very high96.4Very high9 Ų938.7 Ų38.76%0.06320%0.195CC..Hα-helixtrans-127.4-11.7-163.470.40000115.6R255 F256 H261R255-S259 WeakPolarHBondContact O-CB 3.5Å; R255-S259 PolarHBondContact O-N 2.67Å; R255-S259 VanDerWaalsContact O-N 3.12Å; R255-S259 PolarHBondContact O-OG 2.8Å; F256-S259 PolarHBondContact O-N 3.38Å; S259-H261 PolarHBondContact O-N 3.25Å; S259-H261 PolarHBondContact O-ND1 2.82Å; S259-H261 PolarHBondContact OG-N 2.89Å
260G95.2Very high96.4Very high29 Ų2940.3 Ų40.330%0.29921%0.209SC..SBendtrans66.210.1-169.900000114.1F256F256-G260 VanDerWaalsContact CE2-O 3.3Å; F256-G260 WeakPolarHBondContact CE2-O 3.49Å; F256-G260 WeakPolarHBondContact O-CA 3.43Å; F256-G260 PolarHBondContact O-N 2.86Å
261H92.9Very high96.4Very high86 Ų8644.2 Ų44.240%0.39823%0.23SC..  trans-115.2137.6-178.2-68.676.1000110.9F256 S259F256-H261 WeakPolarHBondContact CA-O 3.38Å; S259-H261 PolarHBondContact O-N 3.25Å; S259-H261 PolarHBondContact O-ND1 2.82Å; S259-H261 PolarHBondContact OG-N 2.89Å
262C93.3Very high96.5Very high24 Ų2440.5 Ų40.516%0.16221%0.212CC..  trans-127.5122.7169.9179.10000108.7E252 F256 L272 L284E252-C262 PolarHBondContact OE2-SG 3.13Å; E252-C262 VanDerWaalsContact OE2-SG 3.36Å; F256-C262 HydrophobicContact CD2-CB 4.24Å; C262-L272 VanDerWaalsContact SG-CD1 3.5Å; C262-L284 HydrophobicContact CB-CD1 4.06Å
263N91.4Very high96.5Very high110 Ų11040 Ų4059%0.58821%0.21SC*.SBendtrans-95.2-24.3-172.5-68.2-19.4000112.3E252E252-N263 PolarHBondContact OE2-N 3.19Å
264R96.4Very high96.5Very high70 Ų7041.7 Ų41.726%0.26422%0.22SC..SBendtrans-10726.1-176.3-59177.569.2-172.8-2.1112.7D248 E252 D266 E267 L268D248-R264 IonicContact OD1-NH1 3.41Å; D248-R264 IonicContact OD2-CZ 3.72Å; D248-R264 IonicContact OD2-NH1 3.61Å; D248-R264 PolarHBondContact OD2-NH1 3.33Å; D248-R264 IonicContact OD2-NH2 3.17Å; D248-R264 PolarHBondContact OD2-NH2 3.37Å; E252-R264 HydrophobicContact CG-CB 4.11Å; E252-R264 HydrophobicContact CG-CG 4.32Å; E252-R264 PolarHBondContact OE2-N 3.18Å; R264-D266 VanDerWaalsContact C-N 3.29Å; R264-D266 PolarHBondContact O-N 3.22Å; R264-E267 HydrophobicContact CB-CB 4.46Å; R264-E267 IonicContact CZ-OE1 2.73Å; R264-E267 IonicContact CZ-OE2 3.62Å; R264-E267 IonicContact NE-OE1 3.85Å; R264-E267 IonicContact NE-OE2 2.8Å; R264-E267 PolarHBondContact NE-OE2 2.73Å; R264-E267 VanDerWaalsContact NH2-CD 3.28Å; R264-E267 IonicContact NH2-OE1 3.61Å; R264-E267 PolarHBondContact NH2-OE1 3.31Å; R264-E267 IonicContact NH2-OE2 2.76Å; R264-E267 PolarHBondContact NH2-OE2 2.93Å; R264-E267 PolarHBondContact O-N 2.87Å; R264-E267 VanDerWaalsContact O-N 3.09Å; R264-L268 HydrophobicContact CB-CD1 4Å; R264-L268 HydrophobicContact CB-CG 4.21Å; R264-L268 PolarHBondContact O-N 2.84Å
265I96.1Very high96.5Very high27 Ų2741.6 Ų41.614%0.13822%0.219CC..Hα-helixtrans-63.9-32.8-175.5-159.5168.5000113.4E267 G269 H287 A291I265-E267 VanDerWaalsContact C-N 3.28Å; I265-E267 PolarHBondContact O-N 2.88Å; I265-G269 WeakPolarHBondContact O-CA 3.32Å; I265-G269 PolarHBondContact O-N 3.01Å; I265-H287 HydrophobicContact CD1-CB 3.61Å; I265-H287 WeakPolarHBondContact CD1-O 3.46Å; I265-A291 HydrophobicContact CD1-CB 4.44Å; I265-A291 HydrophobicContact CG1-CB 4.11Å; I265-A291 HydrophobicContact CG2-CB 4.3Å
266D93.7Very high96.6Very high128 Ų12838.1 Ų38.168%0.68421%0.207SC*.Hα-helixtrans-73.1-24.3177.4-67.5-38.3000111.9R264R264-D266 VanDerWaalsContact C-N 3.29Å; R264-D266 PolarHBondContact O-N 3.22Å
267E96Very high96.5Very high127 Ų12740.3 Ų40.359%0.59322%0.218SC*.Hα-helixtrans-90.5-45.3-179.3-175.9-171.417200111.8R264 I265R264-E267 HydrophobicContact CB-CB 4.46Å; R264-E267 IonicContact CZ-OE1 2.73Å; R264-E267 IonicContact CZ-OE2 3.62Å; R264-E267 IonicContact NE-OE1 3.85Å; R264-E267 IonicContact NE-OE2 2.8Å; R264-E267 PolarHBondContact NE-OE2 2.73Å; R264-E267 VanDerWaalsContact NH2-CD 3.28Å; R264-E267 IonicContact NH2-OE1 3.61Å; R264-E267 PolarHBondContact NH2-OE1 3.31Å; R264-E267 IonicContact NH2-OE2 2.76Å; R264-E267 PolarHBondContact NH2-OE2 2.93Å; R264-E267 PolarHBondContact O-N 2.87Å; R264-E267 VanDerWaalsContact O-N 3.09Å; I265-E267 VanDerWaalsContact C-N 3.28Å; I265-E267 PolarHBondContact O-N 2.88Å
268L97.6Very high96.5Very high20 Ų2044.6 Ų44.611%0.10524%0.237CC..Hα-helixtrans-106.612.5-171.9-57.1177.7000112.9D248 V249 E252 R264 A270 D271 L272D248-L268 HydrophobicContact CB-CD1 4.12Å; V249-L268 HydrophobicContact CG2-CD2 4.48Å; E252-L268 HydrophobicContact CG-CD1 4.24Å; R264-L268 HydrophobicContact CB-CD1 4Å; R264-L268 HydrophobicContact CB-CG 4.21Å; R264-L268 PolarHBondContact O-N 2.84Å; L268-A270 VanDerWaalsContact C-N 3.3Å; L268-A270 PolarHBondContact O-N 3.09Å; L268-A270 VanDerWaalsContact O-N 3.15Å; L268-D271 PolarHBondContact O-N 2.76Å; L268-L272 HydrophobicContact CB-CD1 3.71Å; L268-L272 HydrophobicContact CB-CG 3.92Å; L268-L272 WeakPolarHBondContact O-CB 3.49Å; L268-L272 WeakPolarHBondContact O-CG 3.37Å; L268-L272 PolarHBondContact O-N 2.94Å
269G97Very high96.5Very high3 Ų344.4 Ų44.43%0.03124%0.236CC..Hα-helixtrans-55.7-38.1-164.600000115.2I265 L273I265-G269 WeakPolarHBondContact O-CA 3.32Å; I265-G269 PolarHBondContact O-N 3.01Å; G269-L273 WeakPolarHBondContact O-CB 3.5Å; G269-L273 PolarHBondContact O-N 3.46Å
270A98Very high96.6Very high35 Ų3546.9 Ų46.929%0.28925%0.249SC..Hα-helixtrans-69.1-50.6179.700000111.8L268 L272 L273 T274 L292 L307L268-A270 VanDerWaalsContact C-N 3.3Å; L268-A270 PolarHBondContact O-N 3.09Å; L268-A270 VanDerWaalsContact O-N 3.15Å; A270-L272 VanDerWaalsContact C-N 3.35Å; A270-L272 PolarHBondContact O-N 3.18Å; A270-L273 WeakPolarHBondContact O-CB 3.41Å; A270-L273 PolarHBondContact O-N 3.12Å; A270-T274 PolarHBondContact O-N 3.33Å; A270-T274 PolarHBondContact O-OG1 3.1Å; A270-L292 HydrophobicContact CB-CD2 4.45Å; A270-L307 HydrophobicContact CB-CD2 3.82Å
271D98.3Very high96.7Very high82 Ų8246 Ų4644%0.43924%0.237SC..Hα-helixtrans-68.2-36.2179.3-60.3-42.4000111.9V249 L268 L273 T274 A275V249-D271 HydrophobicContact CB-CB 4.49Å; V249-D271 HydrophobicContact CG1-CB 4.08Å; V249-D271 HydrophobicContact CG2-CB 3.58Å; L268-D271 PolarHBondContact O-N 2.76Å; D271-L273 VanDerWaalsContact C-N 3.32Å; D271-L273 PolarHBondContact O-N 3.45Å; D271-T274 WeakPolarHBondContact O-CB 3.42Å; D271-T274 PolarHBondContact O-N 3.34Å; D271-A275 WeakPolarHBondContact O-CB 3.49Å; D271-A275 PolarHBondContact O-N 3.26Å
272L98.6Very high96.8Very high0 Ų048.7 Ų48.70%025%0.25CC..Hα-helixtrans-64.8-34.9173.2-78.9171.1000112.2V249 E252 C262 L268 A270 A275 A276 C288V249-L272 HydrophobicContact CG1-CD2 3.94Å; V249-L272 HydrophobicContact CG1-CG 4.25Å; E252-L272 HydrophobicContact CB-CD1 4.47Å; E252-L272 HydrophobicContact CB-CD2 4.02Å; C262-L272 VanDerWaalsContact SG-CD1 3.5Å; L268-L272 HydrophobicContact CB-CD1 3.71Å; L268-L272 HydrophobicContact CB-CG 3.92Å; L268-L272 WeakPolarHBondContact O-CB 3.49Å; L268-L272 WeakPolarHBondContact O-CG 3.37Å; L268-L272 PolarHBondContact O-N 2.94Å; A270-L272 VanDerWaalsContact C-N 3.35Å; A270-L272 PolarHBondContact O-N 3.18Å; L272-A275 PolarHBondContact O-N 3.28Å; L272-A276 WeakPolarHBondContact O-CB 3.26Å; L272-A276 PolarHBondContact O-N 3.4Å; L272-C288 VanDerWaalsContact CB-SG 3.6Å
273L98.7Very high97Very high0 Ų051.3 Ų51.30%026%0.262CS..Hα-helixtrans-63-48.3174.4-174.8152.5000110.4G269 A270 D271 A275 A276 D277 K285 C288 E289 L292 L307 H311 A313 L316G269-L273 WeakPolarHBondContact O-CB 3.5Å; G269-L273 PolarHBondContact O-N 3.46Å; A270-L273 WeakPolarHBondContact O-CB 3.41Å; A270-L273 PolarHBondContact O-N 3.12Å; D271-L273 VanDerWaalsContact C-N 3.32Å; D271-L273 PolarHBondContact O-N 3.45Å; L273-A275 PolarHBondContact O-N 3.38Å; L273-A276 PolarHBondContact O-N 3.36Å; L273-D277 WeakPolarHBondContact O-CB 3.41Å; L273-D277 PolarHBondContact O-N 2.85Å; L273-K285 HydrophobicContact CG-CG 4.41Å; L273-C288 HydrophobicContact CB-CB 3.83Å; L273-C288 HydrophobicContact CD1-CB 4.28Å; L273-C288 HydrophobicContact CG-CB 4.37Å; L273-E289 HydrophobicContact CD1-CG 3.93Å; L273-L292 HydrophobicContact CB-CD1 4.39Å; L273-L292 HydrophobicContact CD1-CD1 3.73Å; L273-L307 HydrophobicContact CD2-CD2 4.49Å; L273-L307 HydrophobicContact CD2-CG 4.25Å; L273-H311 HydrophobicContact CD2-CB 3.55Å; L273-A313 HydrophobicContact CD1-CB 4.08Å; L273-A313 HydrophobicContact CD2-CB 4.38Å; L273-L316 HydrophobicContact CD1-CD2 3.97Å
274T98.5Very high97.3Very high36 Ų3646.1 Ų46.122%0.22123%0.234CC..Hα-helixtrans-58.1-46.5176-55.20000111.4F245 A270 D271 D277 K278 H311F245-T274 HydrophobicContact CE1-CG2 3.78Å; F245-T274 HydrophobicContact CZ-CG2 3.95Å; A270-T274 PolarHBondContact O-N 3.33Å; A270-T274 PolarHBondContact O-OG1 3.1Å; D271-T274 WeakPolarHBondContact O-CB 3.42Å; D271-T274 PolarHBondContact O-N 3.34Å; T274-D277 PolarHBondContact O-N 2.86Å; T274-K278 PolarHBondContact O-N 3.22Å; T274-H311 PolarHBondContact OG1-NE2 3.2Å
275A98.4Very high97.4Very high0 Ų044 Ų440%023%0.227CC..Hα-helixtrans-66.3-43.4178.100000112.2F245 V249 L253 D271 L272 L273 D277 K278 Y279F245-A275 HydrophobicContact CD1-CB 4.05Å; F245-A275 HydrophobicContact CE1-CB 3.67Å; F245-A275 HydrophobicContact CE2-CB 4.4Å; F245-A275 HydrophobicContact CZ-CB 3.86Å; V249-A275 HydrophobicContact CG1-CB 3.98Å; L253-A275 HydrophobicContact CD1-CB 4Å; D271-A275 WeakPolarHBondContact O-CB 3.49Å; D271-A275 PolarHBondContact O-N 3.26Å; L272-A275 PolarHBondContact O-N 3.28Å; L273-A275 PolarHBondContact O-N 3.38Å; A275-D277 VanDerWaalsContact C-N 3.29Å; A275-D277 PolarHBondContact O-N 2.94Å; A275-K278 PolarHBondContact O-N 3.22Å; A275-Y279 VanDerWaalsContact O-CD2 3.26Å; A275-Y279 WeakPolarHBondContact O-CD2 3.46Å; A275-Y279 PolarHBondContact O-N 3.35Å
276A98.5Very high97.4Very high0 Ų046.7 Ų46.70%024%0.238CC..Hα-helixtrans-61-40177.900000111.5L272 L273 N280 L281 L284 K285L272-A276 WeakPolarHBondContact O-CB 3.26Å; L272-A276 PolarHBondContact O-N 3.4Å; L273-A276 PolarHBondContact O-N 3.36Å; A276-N280 CarbonylContact O-C 3.12Å; A276-N280 WeakPolarHBondContact O-CA 3.33Å; A276-N280 PolarHBondContact O-N 3.2Å; A276-L281 HydrophobicContact CB-CB 4.23Å; A276-L281 PolarHBondContact O-N 3.48Å; A276-L284 HydrophobicContact CB-CB 4Å; A276-L284 HydrophobicContact CB-CD2 3.94Å; A276-L284 HydrophobicContact CB-CG 3.87Å; A276-K285 HydrophobicContact CB-CB 3.96Å
277D97.9Very high97.6Very high49 Ų4944.4 Ų44.426%0.26222%0.223SC..Hα-helixtrans-64.2-49.3174.1-166.855.9000111.5L273 T274 A275 Y279 N280 K285 H311L273-D277 WeakPolarHBondContact O-CB 3.41Å; L273-D277 PolarHBondContact O-N 2.85Å; T274-D277 PolarHBondContact O-N 2.86Å; A275-D277 VanDerWaalsContact C-N 3.29Å; A275-D277 PolarHBondContact O-N 2.94Å; D277-Y279 VanDerWaalsContact C-N 3.3Å; D277-Y279 PolarHBondContact O-N 3.49Å; D277-N280 PolarHBondContact O-N 2.9Å; D277-K285 HydrophobicContact CB-CD 4.38Å; D277-K285 IonicContact OD1-NZ 3.89Å; D277-K285 PolarHBondContact OD1-NZ 3.24Å; D277-H311 HydrophobicContact CB-CB 4.4Å; D277-H311 IonicContact OD2-CE1 3.35Å; D277-H311 IonicContact OD2-CG 3.69Å; D277-H311 IonicContact OD2-ND1 2.77Å; D277-H311 PolarHBondContact OD2-ND1 3.18Å
278K97.6Very high97.7Very high91 Ų9138.3 Ų38.340%0.39620%0.195SC..Hα-helixtrans-56-41.4178-177.1-176.5177.9176.30113D244 F245 T274 A275D244-K278 IonicContact OD1-NZ 3.93Å; D244-K278 PolarHBondContact OD1-NZ 3.17Å; D244-K278 IonicContact OD2-NZ 2.9Å; D244-K278 PolarHBondContact OD2-NZ 3.46Å; F245-K278 HydrophobicContact CE2-CD 3.61Å; F245-K278 HydrophobicContact CZ-CD 4.11Å; T274-K278 PolarHBondContact O-N 3.22Å; A275-K278 PolarHBondContact O-N 3.22Å
279Y97.5Very high97.7Very high6 Ų638 Ų382%0.02419%0.193CC..THydrogen-bonded Turntrans-95.79.3-179.2-66-73.6000113.7S221 V223 F224 L240 I242 L253 A275 D277 L281S221-Y279 PolarHBondContact OG-O 3.4Å; V223-Y279 HydrophobicContact CG1-CD1 4.15Å; F224-Y279 HydrophobicContact CD2-CD1 4.16Å; F224-Y279 HydrophobicContact CE1-CD1 4.46Å; F224-Y279 HydrophobicContact CE1-CE1 4.25Å; F224-Y279 AromaticContact CE2-CD1 3.61Å; F224-Y279 HydrophobicContact CE2-CD1 3.61Å; F224-Y279 HydrophobicContact CE2-CE1 4.07Å; F224-Y279 HydrophobicContact CE2-CG 4.1Å; F224-Y279 AromaticContact CZ-CD1 3.78Å; F224-Y279 HydrophobicContact CZ-CD1 3.78Å; F224-Y279 AromaticContact CZ-CE1 3.73Å; F224-Y279 HydrophobicContact CZ-CE1 3.73Å; L240-Y279 HydrophobicContact CD2-CE1 4.47Å; I242-Y279 WeakPolarHBondContact CD1-OH 3.39Å; I242-Y279 WeakPolarHBondContact CG1-OH 3.25Å; L253-Y279 HydrophobicContact CD2-CD2 3.45Å; L253-Y279 VanDerWaalsContact CD2-CD2 3.45Å; L253-Y279 HydrophobicContact CD2-CE2 3.76Å; L253-Y279 HydrophobicContact CD2-CG 4.18Å; A275-Y279 VanDerWaalsContact O-CD2 3.26Å; A275-Y279 WeakPolarHBondContact O-CD2 3.46Å; A275-Y279 PolarHBondContact O-N 3.35Å; D277-Y279 VanDerWaalsContact C-N 3.3Å; D277-Y279 PolarHBondContact O-N 3.49Å; Y279-L281 PolarHBondContact O-N 3.49Å
280N96.8Very high97.8Very high61 Ų6143.1 Ų43.133%0.32621%0.214SC..THydrogen-bonded Turntrans51.552179.2-164.215.1000113.7V223 A276 D277V223-N280 HydrophobicContact CG2-CB 3.81Å; A276-N280 CarbonylContact O-C 3.12Å; A276-N280 WeakPolarHBondContact O-CA 3.33Å; A276-N280 PolarHBondContact O-N 3.2Å; D277-N280 PolarHBondContact O-N 2.9Å
281L98Very high97.7Very high10 Ų1041.9 Ų41.95%0.05220%0.204CC..  trans-10373.1174.6-62.3178.4000109.6R220 L253 F256 I257 A276 Y279 D283 L284 K285R220-L281 WeakPolarHBondContact O-CD2 3.48Å; L253-L281 HydrophobicContact CD1-CD1 3.51Å; L253-L281 HydrophobicContact CG-CD1 4.09Å; F256-L281 HydrophobicContact CD1-CD1 4.46Å; I257-L281 HydrophobicContact CD1-CD1 4.21Å; I257-L281 HydrophobicContact CG1-CD1 3.92Å; I257-L281 HydrophobicContact CG1-CD2 4.23Å; A276-L281 HydrophobicContact CB-CB 4.23Å; A276-L281 PolarHBondContact O-N 3.48Å; Y279-L281 PolarHBondContact O-N 3.49Å; L281-D283 PolarHBondContact O-N 3.36Å; L281-L284 HydrophobicContact CB-CB 4.1Å; L281-L284 HydrophobicContact CD1-CD2 4.26Å; L281-L284 PolarHBondContact O-N 3.14Å; L281-L284 VanDerWaalsContact O-N 3.12Å; L281-K285 PolarHBondContact O-N 3.01Å
282E95.5Very high97.7Very high144 Ų14438.8 Ų38.867%0.67319%0.187SC*.Hα-helixtrans-54.7-37.1-174.3-65.7-177.7171.500113.6K285 F286E282-K285 PolarHBondContact O-N 2.87Å; E282-F286 WeakPolarHBondContact O-CB 3.49Å; E282-F286 PolarHBondContact O-N 3.42Å
283D96.1Very high97.7Very high78 Ų7841.4 Ų41.442%0.41720%0.203SC..Hα-helixtrans-64.3-47.6178.2-172.324.3000111.8F256 L281 K285 F286 H287F256-D283 HydrophobicContact CZ-CB 4.07Å; L281-D283 PolarHBondContact O-N 3.36Å; D283-K285 PolarHBondContact O-N 3.4Å; D283-F286 PolarHBondContact O-N 2.96Å; D283-H287 PolarHBondContact O-CD2 3.39Å; D283-H287 PolarHBondContact O-N 2.88Å; D283-H287 IonicContact OD1-CD2 3.74Å; D283-H287 PolarHBondContact OD1-CD2 3.09Å; D283-H287 IonicContact OD1-NE2 2.86Å
284L98.3Very high97.7Very high1 Ų151.1 Ų51.11%0.00524%0.24CC..Hα-helixtrans-63-44.2175.1179.256.8000111.1L253 F256 C262 A276 L281 F286 H287 C288L253-L284 HydrophobicContact CD1-CD2 3.85Å; F256-L284 HydrophobicContact CB-CD2 4.21Å; F256-L284 HydrophobicContact CD1-CB 3.78Å; F256-L284 HydrophobicContact CD1-CD2 4.09Å; F256-L284 HydrophobicContact CD1-CG 4.36Å; F256-L284 HydrophobicContact CD2-CB 4.29Å; F256-L284 HydrophobicContact CD2-CD1 3.8Å; F256-L284 HydrophobicContact CD2-CG 4.45Å; F256-L284 HydrophobicContact CE1-CB 3.59Å; F256-L284 HydrophobicContact CE2-CB 4.09Å; F256-L284 HydrophobicContact CE2-CD1 4.11Å; F256-L284 HydrophobicContact CG-CB 4.14Å; F256-L284 HydrophobicContact CG-CD1 4.04Å; F256-L284 HydrophobicContact CG-CD2 4.04Å; F256-L284 HydrophobicContact CG-CG 4.3Å; F256-L284 HydrophobicContact CZ-CB 3.75Å; C262-L284 HydrophobicContact CB-CD1 4.06Å; A276-L284 HydrophobicContact CB-CB 4Å; A276-L284 HydrophobicContact CB-CD2 3.94Å; A276-L284 HydrophobicContact CB-CG 3.87Å; L281-L284 HydrophobicContact CB-CB 4.1Å; L281-L284 HydrophobicContact CD1-CD2 4.26Å; L281-L284 PolarHBondContact O-N 3.14Å; L281-L284 VanDerWaalsContact O-N 3.12Å; L284-F286 VanDerWaalsContact C-N 3.3Å; L284-F286 PolarHBondContact O-N 2.87Å; L284-H287 WeakPolarHBondContact O-CB 3.26Å; L284-H287 PolarHBondContact O-N 3.25Å; L284-H287 VanDerWaalsContact O-N 3.1Å; L284-C288 PolarHBondContact O-N 2.94Å; L284-C288 PolarHBondContact O-SG 3.23Å; L284-C288 VanDerWaalsContact O-SG 3.39Å
285K98Very high97.6Very high27 Ų2751.8 Ų51.812%0.11725%0.249CC..Hα-helixtrans-55.3-47.2177.5-177.7178.8176.8177.80110.9L273 A276 D277 L281 E282 D283 H287 C288 E289 H311L273-K285 HydrophobicContact CG-CG 4.41Å; A276-K285 HydrophobicContact CB-CB 3.96Å; D277-K285 HydrophobicContact CB-CD 4.38Å; D277-K285 IonicContact OD1-NZ 3.89Å; D277-K285 PolarHBondContact OD1-NZ 3.24Å; L281-K285 PolarHBondContact O-N 3.01Å; E282-K285 PolarHBondContact O-N 2.87Å; D283-K285 PolarHBondContact O-N 3.4Å; K285-H287 VanDerWaalsContact C-N 3.34Å; K285-H287 PolarHBondContact O-N 3.1Å; K285-C288 WeakPolarHBondContact O-CB 3.46Å; K285-C288 PolarHBondContact O-N 3.02Å; K285-C288 VanDerWaalsContact O-N 3.17Å; K285-E289 WeakPolarHBondContact O-CG 3.21Å; K285-E289 PolarHBondContact O-N 3.37Å; K285-H311 WeakPolarHBondContact CE-O 3.48Å; K285-H311 PolarHBondContact NZ-O 3.23Å
286F97Very high97.6Very high82 Ų8252.8 Ų52.836%0.3625%0.254SS..Hα-helixtrans-61.9-39.7176.7177.8-111.9000113.2E282 D283 L284 E289 K290E282-F286 WeakPolarHBondContact O-CB 3.49Å; E282-F286 PolarHBondContact O-N 3.42Å; D283-F286 PolarHBondContact O-N 2.96Å; L284-F286 VanDerWaalsContact C-N 3.3Å; L284-F286 PolarHBondContact O-N 2.87Å; F286-E289 PolarHBondContact O-N 3.25Å; F286-K290 HydrophobicContact CE1-CD 4.05Å; F286-K290 VanDerWaalsContact CE1-CE 3.41Å; F286-K290 HydrophobicContact CZ-CD 4.18Å; F286-K290 VanDerWaalsContact CZ-NZ 3.26Å; F286-K290 PolarHBondContact O-N 3.4Å; F286-K290 VanDerWaalsContact O-N 3.15Å
287H97.2Very high97.6Very high80 Ų8055.7 Ų55.737%0.3727%0.269SS..Hα-helixtrans-64.1-40.8174-81.6-69.1000112.1I265 D283 L284 K285 K290 A291I265-H287 HydrophobicContact CD1-CB 3.61Å; I265-H287 WeakPolarHBondContact CD1-O 3.46Å; D283-H287 PolarHBondContact O-CD2 3.39Å; D283-H287 PolarHBondContact O-N 2.88Å; D283-H287 IonicContact OD1-CD2 3.74Å; D283-H287 PolarHBondContact OD1-CD2 3.09Å; D283-H287 IonicContact OD1-NE2 2.86Å; L284-H287 WeakPolarHBondContact O-CB 3.26Å; L284-H287 PolarHBondContact O-N 3.25Å; L284-H287 VanDerWaalsContact O-N 3.1Å; K285-H287 VanDerWaalsContact C-N 3.34Å; K285-H287 PolarHBondContact O-N 3.1Å; H287-K290 PolarHBondContact O-N 3.36Å; H287-A291 PolarHBondContact O-N 3.49Å; H287-A291 VanDerWaalsContact O-N 3.12Å
288C98.5Very high97.6Very high0 Ų055.2 Ų55.20%027%0.268CS..Hα-helixtrans-63.3-44.7175.4-69.40000111.2L272 L273 L284 K285 K290 A291 L292L272-C288 VanDerWaalsContact CB-SG 3.6Å; L273-C288 HydrophobicContact CB-CB 3.83Å; L273-C288 HydrophobicContact CD1-CB 4.28Å; L273-C288 HydrophobicContact CG-CB 4.37Å; L284-C288 PolarHBondContact O-N 2.94Å; L284-C288 PolarHBondContact O-SG 3.23Å; L284-C288 VanDerWaalsContact O-SG 3.39Å; K285-C288 WeakPolarHBondContact O-CB 3.46Å; K285-C288 PolarHBondContact O-N 3.02Å; K285-C288 VanDerWaalsContact O-N 3.17Å; C288-K290 VanDerWaalsContact C-N 3.3Å; C288-K290 PolarHBondContact O-N 2.88Å; C288-A291 PolarHBondContact O-N 3.18Å; C288-L292 WeakPolarHBondContact O-CB 3.21Å; C288-L292 VanDerWaalsContact O-CG 3.28Å; C288-L292 WeakPolarHBondContact O-CG 3.41Å; C288-L292 PolarHBondContact O-N 2.89Å
289E98.3Very high97.5Very high14 Ų1461.4 Ų61.47%0.06529%0.289CS..Hα-helixtrans-55-46.1176-71.8-177.7-108.400111.7L273 K285 F286 A291 L292 V293 A313 G314 S315 L316L273-E289 HydrophobicContact CD1-CG 3.93Å; K285-E289 WeakPolarHBondContact O-CG 3.21Å; K285-E289 PolarHBondContact O-N 3.37Å; F286-E289 PolarHBondContact O-N 3.25Å; E289-A291 PolarHBondContact O-N 3.44Å; E289-L292 PolarHBondContact O-N 3.15Å; E289-V293 WeakPolarHBondContact O-CB 3.45Å; E289-V293 WeakPolarHBondContact O-CG2 3.31Å; E289-V293 PolarHBondContact O-N 3.36Å; E289-A313 HydrophobicContact CG-CB 3.82Å; E289-G314 PolarHBondContact OE2-N 3.42Å; E289-S315 VanDerWaalsContact OE2-CA 3.27Å; E289-S315 WeakPolarHBondContact OE2-CA 3.29Å; E289-S315 WeakPolarHBondContact OE2-CB 3.44Å; E289-S315 PolarHBondContact OE2-N 3.43Å; E289-L316 HydrophobicContact CB-CB 4.16Å; E289-L316 HydrophobicContact CG-CB 3.97Å; E289-L316 PolarHBondContact OE2-N 3.33Å
290K97.4Very high97.5Very high109 Ų10962.9 Ų62.947%0.47430%0.297SS..Hα-helixtrans-62.9-42.3178-78.2-179.1169.6172.10113.2F286 H287 C288 R294F286-K290 HydrophobicContact CE1-CD 4.05Å; F286-K290 VanDerWaalsContact CE1-CE 3.41Å; F286-K290 HydrophobicContact CZ-CD 4.18Å; F286-K290 VanDerWaalsContact CZ-NZ 3.26Å; F286-K290 PolarHBondContact O-N 3.4Å; F286-K290 VanDerWaalsContact O-N 3.15Å; H287-K290 PolarHBondContact O-N 3.36Å; C288-K290 VanDerWaalsContact C-N 3.3Å; C288-K290 PolarHBondContact O-N 2.88Å; K290-R294 WeakPolarHBondContact O-CG 3.33Å; K290-R294 PolarHBondContact O-N 3.42Å
291A97.1Very high97.6Very high10 Ų1060 Ų608%0.08328%0.282CS..Hα-helixtrans-64.4-47.617800000110.5I265 H287 C288 E289 V293 R294 A295I265-A291 HydrophobicContact CD1-CB 4.44Å; I265-A291 HydrophobicContact CG1-CB 4.11Å; I265-A291 HydrophobicContact CG2-CB 4.3Å; H287-A291 PolarHBondContact O-N 3.49Å; H287-A291 VanDerWaalsContact O-N 3.12Å; C288-A291 PolarHBondContact O-N 3.18Å; E289-A291 PolarHBondContact O-N 3.44Å; A291-V293 PolarHBondContact O-N 2.88Å; A291-R294 WeakPolarHBondContact O-CB 3.05Å; A291-R294 PolarHBondContact O-N 2.86Å; A291-R294 VanDerWaalsContact O-N 3.13Å; A291-A295 PolarHBondContact O-N 2.92Å
292L98.6Very high97.6Very high17 Ų1759.6 Ų59.69%0.08928%0.28CS..Hα-helixtrans-63.9-39.8179.6-68.5172000112.3A270 L273 C288 E289 R294 A295 I296 L304 L307 L316A270-L292 HydrophobicContact CB-CD2 4.45Å; L273-L292 HydrophobicContact CB-CD1 4.39Å; L273-L292 HydrophobicContact CD1-CD1 3.73Å; C288-L292 WeakPolarHBondContact O-CB 3.21Å; C288-L292 VanDerWaalsContact O-CG 3.28Å; C288-L292 WeakPolarHBondContact O-CG 3.41Å; C288-L292 PolarHBondContact O-N 2.89Å; E289-L292 PolarHBondContact O-N 3.15Å; L292-R294 PolarHBondContact O-N 3.36Å; L292-A295 CarbonylContact O-C 3.58Å; L292-A295 WeakPolarHBondContact O-CA 3.44Å; L292-A295 PolarHBondContact O-N 2.78Å; L292-I296 WeakPolarHBondContact O-CG1 3.46Å; L292-I296 PolarHBondContact O-N 3.12Å; L292-L304 HydrophobicContact CB-CD2 4.49Å; L292-L304 HydrophobicContact CD1-CD2 4.46Å; L292-L304 HydrophobicContact CD2-CD2 3.93Å; L292-L307 HydrophobicContact CD1-CD2 4.13Å; L292-L316 HydrophobicContact CB-CD1 3.62Å; L292-L316 HydrophobicContact CB-CD2 4.1Å; L292-L316 HydrophobicContact CB-CG 4.49Å; L292-L316 HydrophobicContact CD1-CD2 3.73Å
293V98.4Very high97.7Very high54 Ų5459.2 Ų59.233%0.32728%0.278SS..Hα-helixtrans-57.4-38.5174.4167.40000111.7E289 A291 A295 I296 L316E289-V293 WeakPolarHBondContact O-CB 3.45Å; E289-V293 WeakPolarHBondContact O-CG2 3.31Å; E289-V293 PolarHBondContact O-N 3.36Å; A291-V293 PolarHBondContact O-N 2.88Å; V293-A295 VanDerWaalsContact C-N 3.26Å; V293-A295 PolarHBondContact O-N 2.86Å; V293-I296 HydrophobicContact CB-CD1 4.4Å; V293-I296 HydrophobicContact CG1-CD1 4.49Å; V293-I296 HydrophobicContact CG2-CD1 4.37Å; V293-I296 PolarHBondContact O-N 3.36Å; V293-L316 HydrophobicContact CG2-CB 4.45Å; V293-L316 HydrophobicContact CG2-CD1 3.84Å
294R97.7Very high97.8Very high204 Ų20456.1 Ų56.177%0.7726%0.262SS*.Hα-helixtrans-71.2-22.3176.9-67.2171.362.4-153.4-4.6112.8K290 A291 L292K290-R294 WeakPolarHBondContact O-CG 3.33Å; K290-R294 PolarHBondContact O-N 3.42Å; A291-R294 WeakPolarHBondContact O-CB 3.05Å; A291-R294 PolarHBondContact O-N 2.86Å; A291-R294 VanDerWaalsContact O-N 3.13Å; L292-R294 PolarHBondContact O-N 3.36Å
295A97.1Very high97.7Very high50 Ų5056.1 Ų56.141%0.41326%0.262SS..Hα-helixtrans-93.6-2.9-179.300000113.8A291 L292 V293 N297 N300A291-A295 PolarHBondContact O-N 2.92Å; L292-A295 CarbonylContact O-C 3.58Å; L292-A295 WeakPolarHBondContact O-CA 3.44Å; L292-A295 PolarHBondContact O-N 2.78Å; V293-A295 VanDerWaalsContact C-N 3.26Å; V293-A295 PolarHBondContact O-N 2.86Å; A295-N297 PolarHBondContact O-N 3.23Å; A295-N297 PolarHBondContact O-ND2 3.4Å; A295-N297 VanDerWaalsContact O-ND2 3.11Å; A295-N300 PolarHBondContact O-ND2 3.39Å
296I98.3Very high97.7Very high21 Ų2155.7 Ų55.711%0.10826%0.261CS..  trans-59.9131.5-179.9-64.3171.9000110.8L292 V293 V301 L304 L316 G319 Y323L292-I296 WeakPolarHBondContact O-CG1 3.46Å; L292-I296 PolarHBondContact O-N 3.12Å; V293-I296 HydrophobicContact CB-CD1 4.4Å; V293-I296 HydrophobicContact CG1-CD1 4.49Å; V293-I296 HydrophobicContact CG2-CD1 4.37Å; V293-I296 PolarHBondContact O-N 3.36Å; I296-V301 HydrophobicContact CG2-CB 3.89Å; I296-V301 HydrophobicContact CG2-CG2 3.72Å; I296-L304 HydrophobicContact CG1-CD1 3.87Å; I296-L316 HydrophobicContact CD1-CD1 4.33Å; I296-G319 VanDerWaalsContact CD1-C 3.43Å; I296-Y323 HydrophobicContact CG2-CD1 3.74Å; I296-Y323 HydrophobicContact CG2-CD2 3.69Å; I296-Y323 HydrophobicContact CG2-CE1 4.31Å; I296-Y323 HydrophobicContact CG2-CE2 4.27Å; I296-Y323 HydrophobicContact CG2-CG 3.39Å
297N97.9Very high97.7Very high61 Ų6153.2 Ų53.233%0.32625%0.252SS..  trans-150.4172.3171.763.475.1000110.7A295 R299 N300 V301 Y323A295-N297 PolarHBondContact O-N 3.23Å; A295-N297 PolarHBondContact O-ND2 3.4Å; A295-N297 VanDerWaalsContact O-ND2 3.11Å; N297-R299 PolarHBondContact O-N 3.12Å; N297-R299 VanDerWaalsContact O-N 3.09Å; N297-R299 WeakPolarHBondContact OD1-CA 3.48Å; N297-R299 VanDerWaalsContact OD1-CB 3.31Å; N297-R299 WeakPolarHBondContact OD1-CB 3.3Å; N297-R299 PolarHBondContact OD1-N 3.17Å; N297-N300 PolarHBondContact N-OD1 3.45Å; N297-N300 PolarHBondContact ND2-ND2 3.19Å; N297-N300 PolarHBondContact ND2-OD1 3.24Å; N297-N300 PolarHBondContact O-N 3.49Å; N297-N300 PolarHBondContact O-OD1 3.36Å; N297-N300 PolarHBondContact OD1-N 3.3Å; N297-V301 WeakPolarHBondContact O-CB 3.3Å; N297-V301 PolarHBondContact O-N 3.17Å; N297-Y323 WeakPolarHBondContact CA-OH 3.5Å
298V98Very high97.8Very high39 Ų3949.4 Ų49.424%0.23623%0.234CC..THydrogen-bonded Turntrans-52.2-35.4-178.8175.70000112.9Y323 D330 T334V298-Y323 HydrophobicContact CG2-CE1 4.09Å; V298-Y323 WeakPolarHBondContact CG2-OH 3.42Å; V298-Y323 PolarHBondContact N-OH 3.03Å; V298-D330 HydrophobicContact CG1-CB 4.02Å; V298-D330 WeakPolarHBondContact CG1-O 3.28Å; V298-D330 HydrophobicContact CG2-CB 3.95Å; V298-T334 HydrophobicContact CG1-CG2 3.64Å
299R96.2Very high97.6Very high221 Ų22153 Ų5383%0.83425%0.253SS*.THydrogen-bonded Turntrans-77.3-30.7-174.2-58.6178.9178.8165.5-0.4113.5N297N297-R299 PolarHBondContact O-N 3.12Å; N297-R299 VanDerWaalsContact O-N 3.09Å; N297-R299 WeakPolarHBondContact OD1-CA 3.48Å; N297-R299 VanDerWaalsContact OD1-CB 3.31Å; N297-R299 WeakPolarHBondContact OD1-CB 3.3Å; N297-R299 PolarHBondContact OD1-N 3.17Å
300N97.7Very high97.4Very high37 Ų3755.6 Ų55.620%0.19827%0.273CS..THydrogen-bonded Turntrans-111.8-12.3-172.768.52.8000114.3A295 N297 C302 E303 L304A295-N300 PolarHBondContact O-ND2 3.39Å; N297-N300 PolarHBondContact N-OD1 3.45Å; N297-N300 PolarHBondContact ND2-ND2 3.19Å; N297-N300 PolarHBondContact ND2-OD1 3.24Å; N297-N300 PolarHBondContact O-N 3.49Å; N297-N300 PolarHBondContact O-OD1 3.36Å; N297-N300 PolarHBondContact OD1-N 3.3Å; N300-C302 VanDerWaalsContact C-N 3.25Å; N300-C302 PolarHBondContact O-N 3.49Å; N300-E303 PolarHBondContact O-N 2.99Å; N300-L304 HydrophobicContact CB-CD1 4.36Å; N300-L304 HydrophobicContact CB-CG 4.47Å; N300-L304 WeakPolarHBondContact O-CG 3.38Å; N300-L304 PolarHBondContact O-N 3.4Å
301V98Very high97.3Very high0 Ų051.9 Ų51.90%026%0.257CS..Hα-helixtrans-59.5-34-172.3660000113.3I296 N297 L305 C320 Y323 M324 V331I296-V301 HydrophobicContact CG2-CB 3.89Å; I296-V301 HydrophobicContact CG2-CG2 3.72Å; N297-V301 WeakPolarHBondContact O-CB 3.3Å; N297-V301 PolarHBondContact O-N 3.17Å; V301-L305 VanDerWaalsContact O-CB 3.29Å; V301-L305 WeakPolarHBondContact O-CB 3.37Å; V301-L305 PolarHBondContact O-N 3.22Å; V301-C320 HydrophobicContact CG2-CB 3.96Å; V301-Y323 HydrophobicContact CB-CD1 4.08Å; V301-Y323 HydrophobicContact CB-CE1 4.49Å; V301-Y323 HydrophobicContact CG1-CD1 4.21Å; V301-Y323 HydrophobicContact CG1-CE1 4.39Å; V301-Y323 HydrophobicContact CG2-CD1 3.91Å; V301-Y323 HydrophobicContact CG2-CG 4.46Å; V301-M324 HydrophobicContact CB-CE 4.39Å; V301-M324 HydrophobicContact CG1-CE 4.03Å; V301-M324 HydrophobicContact CG1-CG 4.17Å; V301-M324 HydrophobicContact CG2-CE 3.88Å; V301-M324 HydrophobicContact CG2-CG 3.65Å; V301-V331 HydrophobicContact CG1-CG1 4.07Å; V301-V331 HydrophobicContact CG1-CG2 3.68Å
302C97.8Very high97.2Very high2 Ų258.8 Ų58.81%0.01429%0.29CS..Hα-helixtrans-67.2-47.6177.7-66.30000112N300 L305 V306 M324 I340N300-C302 VanDerWaalsContact C-N 3.25Å; N300-C302 PolarHBondContact O-N 3.49Å; C302-L305 PolarHBondContact O-N 2.84Å; C302-V306 PolarHBondContact O-N 3.06Å; C302-V306 VanDerWaalsContact O-N 3.15Å; C302-M324 HydrophobicContact CB-CE 4.37Å; C302-I340 HydrophobicContact CB-CD1 3.51Å; C302-I340 HydrophobicContact CB-CG1 4.19Å
303E97.7Very high97.1Very high137 Ų13758 Ų5864%0.6429%0.286SS*.Hα-helixtrans-63.9-42.5177.3-65.2173.8179.100111.1N300 L305 V306 L307N300-E303 PolarHBondContact O-N 2.99Å; E303-L305 VanDerWaalsContact C-N 3.32Å; E303-L305 PolarHBondContact O-N 3.45Å; E303-V306 PolarHBondContact O-N 3.27Å; E303-L307 WeakPolarHBondContact O-CB 3.4Å; E303-L307 PolarHBondContact O-N 3.17Å
304L98.4Very high96.8Very high13 Ų1357.5 Ų57.57%0.06829%0.292CS..Hα-helixtrans-65.2-33.6176.6-69178.9000112.9L292 I296 N300 L307 A308L292-L304 HydrophobicContact CB-CD2 4.49Å; L292-L304 HydrophobicContact CD1-CD2 4.46Å; L292-L304 HydrophobicContact CD2-CD2 3.93Å; I296-L304 HydrophobicContact CG1-CD1 3.87Å; N300-L304 HydrophobicContact CB-CD1 4.36Å; N300-L304 HydrophobicContact CB-CG 4.47Å; N300-L304 WeakPolarHBondContact O-CG 3.38Å; N300-L304 PolarHBondContact O-N 3.4Å; L304-L307 HydrophobicContact CD2-CD2 4.36Å; L304-A308 VanDerWaalsContact O-CB 3.25Å; L304-A308 WeakPolarHBondContact O-CB 3.2Å; L304-A308 PolarHBondContact O-N 3.02Å
305L97.4Very high96.7Very high0 Ų050.3 Ų50.30%027%0.272CS..Hα-helixtrans-66.2-45.3175.3-178.673.5000111.2V301 C302 E303 L307 A308 D309 Y317 C320 M321 M324 I340 L347 L351V301-L305 VanDerWaalsContact O-CB 3.29Å; V301-L305 WeakPolarHBondContact O-CB 3.37Å; V301-L305 PolarHBondContact O-N 3.22Å; C302-L305 PolarHBondContact O-N 2.84Å; E303-L305 VanDerWaalsContact C-N 3.32Å; E303-L305 PolarHBondContact O-N 3.45Å; L305-L307 VanDerWaalsContact C-N 3.34Å; L305-A308 PolarHBondContact O-N 3.41Å; L305-D309 PolarHBondContact O-N 3.05Å; L305-Y317 HydrophobicContact CD1-CD2 3.85Å; L305-Y317 HydrophobicContact CD1-CE2 3.8Å; L305-Y317 HydrophobicContact CD1-CG 4.29Å; L305-C320 HydrophobicContact CB-CB 4.08Å; L305-C320 HydrophobicContact CD1-CB 3.78Å; L305-M321 HydrophobicContact CD1-CE 3.66Å; L305-M321 HydrophobicContact CD1-CG 4.46Å; L305-M321 HydrophobicContact CD1-SD 4.36Å; L305-M321 HydrophobicContact CD2-CE 3.95Å; L305-M321 HydrophobicContact CG-CE 4.45Å; L305-M324 HydrophobicContact CB-CE 3.95Å; L305-M324 HydrophobicContact CD2-CE 3.6Å; L305-M324 HydrophobicContact CD2-SD 3.89Å; L305-M324 HydrophobicContact CG-CE 4.36Å; L305-I340 HydrophobicContact CD2-CD1 4.15Å; L305-L347 HydrophobicContact CD2-CD1 4.2Å; L305-L347 HydrophobicContact CD2-CD2 3.7Å; L305-L347 HydrophobicContact CD2-CG 3.93Å; L305-L347 HydrophobicContact CG-CD1 4.28Å; L305-L347 HydrophobicContact CG-CD2 3.92Å; L305-L347 HydrophobicContact CG-CG 4.39Å; L305-L351 HydrophobicContact CD2-CD1 3.8Å; L305-L351 HydrophobicContact CD2-CD2 3.9Å; L305-L351 HydrophobicContact CD2-CG 4.35Å
306V97.1Very high96.7Very high19 Ų1947.9 Ų47.912%0.11525%0.253CS..Hα-helixtrans-61.2-44.9176.1171.70000110.8C302 E303 A308 D309 S310 I340 Y344 L347C302-V306 PolarHBondContact O-N 3.06Å; C302-V306 VanDerWaalsContact O-N 3.15Å; E303-V306 PolarHBondContact O-N 3.27Å; V306-A308 VanDerWaalsContact C-N 3.32Å; V306-A308 PolarHBondContact O-N 2.97Å; V306-D309 PolarHBondContact O-N 3.23Å; V306-S310 WeakPolarHBondContact O-CB 3.46Å; V306-S310 PolarHBondContact O-N 3.28Å; V306-S310 PolarHBondContact O-OG 3.43Å; V306-I340 HydrophobicContact CG2-CD1 4.38Å; V306-I340 HydrophobicContact CG2-CG1 3.97Å; V306-Y344 HydrophobicContact CB-CE2 4.47Å; V306-Y344 HydrophobicContact CG1-CD1 4.27Å; V306-Y344 HydrophobicContact CG1-CD2 4.29Å; V306-Y344 HydrophobicContact CG1-CE1 3.7Å; V306-Y344 HydrophobicContact CG1-CE2 3.73Å; V306-Y344 HydrophobicContact CG2-CD2 3.73Å; V306-Y344 HydrophobicContact CG2-CE2 3.85Å; V306-Y344 HydrophobicContact CG2-CG 4.12Å; V306-L347 HydrophobicContact CG2-CD2 4.02Å
307L97.9Very high96.6Very high29 Ų2949 Ų4915%0.15226%0.256CS..Hα-helixtrans-57.9-45.9174.6-177.674.5000111.1A270 L273 L292 E303 L304 L305 D309 S310 H311 L316A270-L307 HydrophobicContact CB-CD2 3.82Å; L273-L307 HydrophobicContact CD2-CD2 4.49Å; L273-L307 HydrophobicContact CD2-CG 4.25Å; L292-L307 HydrophobicContact CD1-CD2 4.13Å; E303-L307 WeakPolarHBondContact O-CB 3.4Å; E303-L307 PolarHBondContact O-N 3.17Å; L304-L307 HydrophobicContact CD2-CD2 4.36Å; L305-L307 VanDerWaalsContact C-N 3.34Å; L307-D309 PolarHBondContact O-N 3Å; L307-S310 PolarHBondContact O-N 2.93Å; L307-H311 PolarHBondContact O-CD2 3.45Å; L307-H311 PolarHBondContact O-N 2.94Å; L307-H311 VanDerWaalsContact O-N 3.12Å; L307-L316 HydrophobicContact CD2-CD2 4.42Å
308A97.7Very high96.5Very high0 Ų054.3 Ų54.30%027%0.271CS..Hα-helixtrans-64.8-40.4-178.500000112.7L304 L305 V306 M312 A313 L316 Y317L304-A308 VanDerWaalsContact O-CB 3.25Å; L304-A308 WeakPolarHBondContact O-CB 3.2Å; L304-A308 PolarHBondContact O-N 3.02Å; L305-A308 PolarHBondContact O-N 3.41Å; V306-A308 VanDerWaalsContact C-N 3.32Å; V306-A308 PolarHBondContact O-N 2.97Å; A308-M312 CarbonylContact O-C 3.4Å; A308-M312 WeakPolarHBondContact O-CA 3.03Å; A308-M312 PolarHBondContact O-N 2.93Å; A308-M312 VanDerWaalsContact O-N 3.08Å; A308-A313 HydrophobicContact CB-CB 4.33Å; A308-A313 PolarHBondContact O-N 3.45Å; A308-L316 HydrophobicContact CB-CB 3.99Å; A308-L316 HydrophobicContact CB-CD2 3.93Å; A308-L316 HydrophobicContact CB-CG 3.8Å; A308-Y317 HydrophobicContact CB-CD2 4.35Å
309D94.3Very high96.4Very high75 Ų7553.1 Ų53.140%0.40127%0.267SS..Hα-helixtrans-66.3-49.4176.2-167.874.9000111.2L305 V306 L307 H311 M312 Y317 L347L305-D309 PolarHBondContact O-N 3.05Å; V306-D309 PolarHBondContact O-N 3.23Å; L307-D309 PolarHBondContact O-N 3Å; D309-H311 PolarHBondContact O-N 3.15Å; D309-M312 PolarHBondContact O-N 3.32Å; D309-Y317 HydrophobicContact CB-CD2 4.22Å; D309-Y317 HydrophobicContact CB-CE2 4.08Å; D309-L347 HydrophobicContact CB-CD1 4.25Å
310S95.1Very high96.4Very high70 Ų7042.6 Ų42.649%0.4923%0.227SC..Hα-helixtrans-57.4-35.9-178.4-59.50000113.1V306 L307V306-S310 WeakPolarHBondContact O-CB 3.46Å; V306-S310 PolarHBondContact O-N 3.28Å; V306-S310 PolarHBondContact O-OG 3.43Å; L307-S310 PolarHBondContact O-N 2.93Å
311H95.3Very high96.2Very high31 Ų3141.2 Ų41.214%0.14422%0.22CC..THydrogen-bonded Turntrans-103.611.6179.9-66.6-65.9000113.3L273 T274 D277 K285 L307 D309 A313L273-H311 HydrophobicContact CD2-CB 3.55Å; T274-H311 PolarHBondContact OG1-NE2 3.2Å; D277-H311 HydrophobicContact CB-CB 4.4Å; D277-H311 IonicContact OD2-CE1 3.35Å; D277-H311 IonicContact OD2-CG 3.69Å; D277-H311 IonicContact OD2-ND1 2.77Å; D277-H311 PolarHBondContact OD2-ND1 3.18Å; K285-H311 WeakPolarHBondContact CE-O 3.48Å; K285-H311 PolarHBondContact NZ-O 3.23Å; L307-H311 PolarHBondContact O-CD2 3.45Å; L307-H311 PolarHBondContact O-N 2.94Å; L307-H311 VanDerWaalsContact O-N 3.12Å; D309-H311 PolarHBondContact O-N 3.15Å; H311-A313 PolarHBondContact O-N 2.99Å; H311-A313 VanDerWaalsContact O-N 3.07Å
312M94.8Very high96Very high154 Ų15444.3 Ų44.376%0.75924%0.236SC*.THydrogen-bonded Turntrans49.737.7-177.4-58.2173.6-78.500112.9A308 D309 G314A308-M312 CarbonylContact O-C 3.4Å; A308-M312 WeakPolarHBondContact O-CA 3.03Å; A308-M312 PolarHBondContact O-N 2.93Å; A308-M312 VanDerWaalsContact O-N 3.08Å; D309-M312 PolarHBondContact O-N 3.32Å; M312-G314 PolarHBondContact O-N 2.9Å; M312-G314 VanDerWaalsContact O-N 3.15Å
313A95.7Very high95.9Very high1 Ų146.9 Ų46.91%0.00825%0.246CC..  trans-85.781-176.900000109.9L273 E289 A308 H311 S315 L316 Y317L273-A313 HydrophobicContact CD1-CB 4.08Å; L273-A313 HydrophobicContact CD2-CB 4.38Å; E289-A313 HydrophobicContact CG-CB 3.82Å; A308-A313 HydrophobicContact CB-CB 4.33Å; A308-A313 PolarHBondContact O-N 3.45Å; H311-A313 PolarHBondContact O-N 2.99Å; H311-A313 VanDerWaalsContact O-N 3.07Å; A313-S315 PolarHBondContact O-N 2.85Å; A313-L316 HydrophobicContact CB-CB 4.29Å; A313-L316 PolarHBondContact O-N 3.28Å; A313-Y317 WeakPolarHBondContact O-CB 3.48Å; A313-Y317 PolarHBondContact O-N 3.03Å
314G93.4Very high95.8Very high44 Ų4440.6 Ų40.645%0.45422%0.217SC..Hα-helixtrans-65.3-31.1-165.100000116E289 M312 R318E289-G314 PolarHBondContact OE2-N 3.42Å; M312-G314 PolarHBondContact O-N 2.9Å; M312-G314 VanDerWaalsContact O-N 3.15Å; G314-R318 WeakPolarHBondContact O-CB 3.21Å; G314-R318 PolarHBondContact O-N 3.32Å; G314-R318 VanDerWaalsContact O-N 3.08Å
315S94.8Very high95.4Very high52 Ų5243 Ų4336%0.36423%0.225SC..Hα-helixtrans-71.9-41.5176-53.20000110.7E289 A313 G319E289-S315 VanDerWaalsContact OE2-CA 3.27Å; E289-S315 WeakPolarHBondContact OE2-CA 3.29Å; E289-S315 WeakPolarHBondContact OE2-CB 3.44Å; E289-S315 PolarHBondContact OE2-N 3.43Å; A313-S315 PolarHBondContact O-N 2.85Å; S315-G319 PolarHBondContact O-N 2.95Å
316L97.9Very high95.2Very high0 Ų050.9 Ų50.90%026%0.259CS..Hα-helixtrans-65.3-46174.5-178.559.3000111.3L273 E289 L292 V293 I296 L307 A308 A313 R318 G319 C320L273-L316 HydrophobicContact CD1-CD2 3.97Å; E289-L316 HydrophobicContact CB-CB 4.16Å; E289-L316 HydrophobicContact CG-CB 3.97Å; E289-L316 PolarHBondContact OE2-N 3.33Å; L292-L316 HydrophobicContact CB-CD1 3.62Å; L292-L316 HydrophobicContact CB-CD2 4.1Å; L292-L316 HydrophobicContact CB-CG 4.49Å; L292-L316 HydrophobicContact CD1-CD2 3.73Å; V293-L316 HydrophobicContact CG2-CB 4.45Å; V293-L316 HydrophobicContact CG2-CD1 3.84Å; I296-L316 HydrophobicContact CD1-CD1 4.33Å; L307-L316 HydrophobicContact CD2-CD2 4.42Å; A308-L316 HydrophobicContact CB-CB 3.99Å; A308-L316 HydrophobicContact CB-CD2 3.93Å; A308-L316 HydrophobicContact CB-CG 3.8Å; A313-L316 HydrophobicContact CB-CB 4.29Å; A313-L316 PolarHBondContact O-N 3.28Å; L316-R318 VanDerWaalsContact C-N 3.33Å; L316-R318 PolarHBondContact O-N 2.74Å; L316-G319 PolarHBondContact O-N 3.24Å; L316-G319 VanDerWaalsContact O-N 3.1Å; L316-C320 PolarHBondContact O-N 3.04Å; L316-C320 PolarHBondContact O-SG 2.86Å; L316-C320 VanDerWaalsContact O-SG 3.4Å
317Y95.7Very high95.1Very high43 Ų4352 Ų5217%0.16927%0.265CS..Hα-helixtrans-54.6-50.4177.4-171.1-81.8000110.8L305 A308 D309 A313 G319 C320 M321 L347L305-Y317 HydrophobicContact CD1-CD2 3.85Å; L305-Y317 HydrophobicContact CD1-CE2 3.8Å; L305-Y317 HydrophobicContact CD1-CG 4.29Å; A308-Y317 HydrophobicContact CB-CD2 4.35Å; D309-Y317 HydrophobicContact CB-CD2 4.22Å; D309-Y317 HydrophobicContact CB-CE2 4.08Å; A313-Y317 WeakPolarHBondContact O-CB 3.48Å; A313-Y317 PolarHBondContact O-N 3.03Å; Y317-G319 VanDerWaalsContact C-N 3.34Å; Y317-G319 PolarHBondContact O-N 3.28Å; Y317-C320 PolarHBondContact O-N 2.75Å; Y317-M321 HydrophobicContact CD1-CG 3.8Å; Y317-M321 HydrophobicContact CE1-CG 3.62Å; Y317-M321 HydrophobicContact CE1-SD 4.07Å; Y317-M321 WeakPolarHBondContact O-CG 3.23Å; Y317-M321 PolarHBondContact O-N 3.24Å; Y317-L347 HydrophobicContact CE2-CD1 3.83Å
318R94.8Very high94.8Very high174 Ų17453.4 Ų53.466%0.65727%0.274SS*.Hα-helixtrans-60.6-41.9177.4-172.1177.4-60.5158.94.8112.4G314 L316 M321 D322G314-R318 WeakPolarHBondContact O-CB 3.21Å; G314-R318 PolarHBondContact O-N 3.32Å; G314-R318 VanDerWaalsContact O-N 3.08Å; L316-R318 VanDerWaalsContact C-N 3.33Å; L316-R318 PolarHBondContact O-N 2.74Å; R318-M321 WeakPolarHBondContact O-CB 3.4Å; R318-M321 PolarHBondContact O-N 3.08Å; R318-D322 PolarHBondContact O-N 3.44Å
319G96.2Very high94.6Very high14 Ų1459.2 Ų59.214%0.14431%0.305CS..Hα-helixtrans-60-45.3175.500000112.7I296 S315 L316 Y317 M321 D322 Y323I296-G319 VanDerWaalsContact CD1-C 3.43Å; S315-G319 PolarHBondContact O-N 2.95Å; L316-G319 PolarHBondContact O-N 3.24Å; L316-G319 VanDerWaalsContact O-N 3.1Å; Y317-G319 VanDerWaalsContact C-N 3.34Å; Y317-G319 PolarHBondContact O-N 3.28Å; G319-M321 VanDerWaalsContact C-N 3.3Å; G319-M321 PolarHBondContact O-N 3.44Å; G319-D322 PolarHBondContact O-N 3.33Å; G319-Y323 WeakPolarHBondContact O-CB 3.33Å; G319-Y323 PolarHBondContact O-N 2.8Å; G319-Y323 VanDerWaalsContact O-N 3.08Å
320C96.7Very high94.7Very high0 Ų060 Ų600%031%0.309CS..Hα-helixtrans-60.3-42.2174.7-67.30000111V301 L305 L316 Y317 Y323 M324V301-C320 HydrophobicContact CG2-CB 3.96Å; L305-C320 HydrophobicContact CB-CB 4.08Å; L305-C320 HydrophobicContact CD1-CB 3.78Å; L316-C320 PolarHBondContact O-N 3.04Å; L316-C320 PolarHBondContact O-SG 2.86Å; L316-C320 VanDerWaalsContact O-SG 3.4Å; Y317-C320 PolarHBondContact O-N 2.75Å; C320-Y323 PolarHBondContact O-N 3.13Å; C320-M324 WeakPolarHBondContact O-CB 3.48Å; C320-M324 WeakPolarHBondContact O-CG 3.28Å; C320-M324 PolarHBondContact O-N 3.5Å
321M93.6Very high94.8Very high7 Ų756.8 Ų56.83%0.03429%0.287CS..Hα-helixtrans-61.7-48.8177.7-66.7-69.677.200114.1L305 Y317 R318 G319 Y323 M324 R325 L351L305-M321 HydrophobicContact CD1-CE 3.66Å; L305-M321 HydrophobicContact CD1-CG 4.46Å; L305-M321 HydrophobicContact CD1-SD 4.36Å; L305-M321 HydrophobicContact CD2-CE 3.95Å; L305-M321 HydrophobicContact CG-CE 4.45Å; Y317-M321 HydrophobicContact CD1-CG 3.8Å; Y317-M321 HydrophobicContact CE1-CG 3.62Å; Y317-M321 HydrophobicContact CE1-SD 4.07Å; Y317-M321 WeakPolarHBondContact O-CG 3.23Å; Y317-M321 PolarHBondContact O-N 3.24Å; R318-M321 WeakPolarHBondContact O-CB 3.4Å; R318-M321 PolarHBondContact O-N 3.08Å; G319-M321 VanDerWaalsContact C-N 3.3Å; G319-M321 PolarHBondContact O-N 3.44Å; M321-Y323 PolarHBondContact O-N 3.17Å; M321-M324 HydrophobicContact CE-CB 4.26Å; M321-M324 HydrophobicContact CE-CG 4.26Å; M321-M324 HydrophobicContact CE-SD 3.54Å; M321-M324 VanDerWaalsContact CE-SD 3.54Å; M321-M324 PolarHBondContact O-N 3.49Å; M321-R325 WeakPolarHBondContact O-CB 3.4Å; M321-R325 VanDerWaalsContact O-CG 3.23Å; M321-R325 WeakPolarHBondContact O-CG 3.44Å; M321-R325 PolarHBondContact O-N 3.09Å; M321-L351 HydrophobicContact CE-CD1 4.15Å; M321-L351 HydrophobicContact CE-CD2 3.24Å; M321-L351 HydrophobicContact CE-CG 4.26Å; M321-L351 HydrophobicContact SD-CD2 3.21Å; M321-L351 WeakPolarHBondContact SD-CD2 3.31Å
322D93.9Very high94.7Very high65 Ų6557.6 Ų57.635%0.34829%0.294SS..Hα-helixtrans-65.7-29.6178.9-69.1-19.3000112R318 G319 R325 K326R318-D322 PolarHBondContact O-N 3.44Å; G319-D322 PolarHBondContact O-N 3.33Å; D322-R325 IonicContact OD1-NH1 3.95Å; D322-R325 PolarHBondContact OD1-NH1 2.86Å; D322-K326 WeakPolarHBondContact O-CD 3.37Å; D322-K326 WeakPolarHBondContact O-CG 3.37Å
323Y96.1Very high94.8Very high57 Ų5756.9 Ų56.922%0.22429%0.293CS..Hα-helixtrans-73.2-51.5174.2-171.8-87.7000112.5I296 N297 V298 V301 G319 C320 M321 R325 K326 N327 V331I296-Y323 HydrophobicContact CG2-CD1 3.74Å; I296-Y323 HydrophobicContact CG2-CD2 3.69Å; I296-Y323 HydrophobicContact CG2-CE1 4.31Å; I296-Y323 HydrophobicContact CG2-CE2 4.27Å; I296-Y323 HydrophobicContact CG2-CG 3.39Å; N297-Y323 WeakPolarHBondContact CA-OH 3.5Å; V298-Y323 HydrophobicContact CG2-CE1 4.09Å; V298-Y323 WeakPolarHBondContact CG2-OH 3.42Å; V298-Y323 PolarHBondContact N-OH 3.03Å; V301-Y323 HydrophobicContact CB-CD1 4.08Å; V301-Y323 HydrophobicContact CB-CE1 4.49Å; V301-Y323 HydrophobicContact CG1-CD1 4.21Å; V301-Y323 HydrophobicContact CG1-CE1 4.39Å; V301-Y323 HydrophobicContact CG2-CD1 3.91Å; V301-Y323 HydrophobicContact CG2-CG 4.46Å; G319-Y323 WeakPolarHBondContact O-CB 3.33Å; G319-Y323 PolarHBondContact O-N 2.8Å; G319-Y323 VanDerWaalsContact O-N 3.08Å; C320-Y323 PolarHBondContact O-N 3.13Å; M321-Y323 PolarHBondContact O-N 3.17Å; Y323-R325 PolarHBondContact O-N 2.88Å; Y323-K326 PolarHBondContact O-N 3.32Å; Y323-N327 HydrophobicContact CE1-CB 4.18Å; Y323-N327 PolarHBondContact O-N 2.87Å; Y323-N327 PolarHBondContact O-ND2 2.79Å; Y323-V331 HydrophobicContact CE1-CG2 4.48Å
324M94.5Very high94.8Very high5 Ų558 Ų583%0.02530%0.3CS..Hα-helixtrans-57.9-39.2179.3-72.2-170.7173.300111V301 C302 L305 C320 M321 K326 N327 V328 V331 I340 L351V301-M324 HydrophobicContact CB-CE 4.39Å; V301-M324 HydrophobicContact CG1-CE 4.03Å; V301-M324 HydrophobicContact CG1-CG 4.17Å; V301-M324 HydrophobicContact CG2-CE 3.88Å; V301-M324 HydrophobicContact CG2-CG 3.65Å; C302-M324 HydrophobicContact CB-CE 4.37Å; L305-M324 HydrophobicContact CB-CE 3.95Å; L305-M324 HydrophobicContact CD2-CE 3.6Å; L305-M324 HydrophobicContact CD2-SD 3.89Å; L305-M324 HydrophobicContact CG-CE 4.36Å; C320-M324 WeakPolarHBondContact O-CB 3.48Å; C320-M324 WeakPolarHBondContact O-CG 3.28Å; C320-M324 PolarHBondContact O-N 3.5Å; M321-M324 HydrophobicContact CE-CB 4.26Å; M321-M324 HydrophobicContact CE-CG 4.26Å; M321-M324 HydrophobicContact CE-SD 3.54Å; M321-M324 VanDerWaalsContact CE-SD 3.54Å; M321-M324 PolarHBondContact O-N 3.49Å; M324-K326 VanDerWaalsContact C-N 3.26Å; M324-K326 PolarHBondContact O-N 3.4Å; M324-N327 CarbonylContact O-C 3.58Å; M324-N327 PolarHBondContact O-N 2.95Å; M324-V328 WeakPolarHBondContact O-CA 3.44Å; M324-V328 VanDerWaalsContact O-CG2 3.27Å; M324-V328 WeakPolarHBondContact O-CG2 3.46Å; M324-V328 PolarHBondContact O-N 3.5Å; M324-V331 HydrophobicContact CE-CG1 4.25Å; M324-V331 HydrophobicContact CG-CG1 4.16Å; M324-V331 HydrophobicContact CG-CG2 4.42Å; M324-V331 HydrophobicContact SD-CG1 4.41Å; M324-I340 HydrophobicContact CE-CD1 4.26Å; M324-L351 HydrophobicContact SD-CD1 4.02Å
325R90.7Very high95Very high62 Ų6259.2 Ų59.223%0.23431%0.306CS..Hα-helixtrans-58.7-35.3176.2-77.2170-179.9150.1-4.4114.2M321 D322 Y323 Q354 F355M321-R325 WeakPolarHBondContact O-CB 3.4Å; M321-R325 VanDerWaalsContact O-CG 3.23Å; M321-R325 WeakPolarHBondContact O-CG 3.44Å; M321-R325 PolarHBondContact O-N 3.09Å; D322-R325 IonicContact OD1-NH1 3.95Å; D322-R325 PolarHBondContact OD1-NH1 2.86Å; Y323-R325 PolarHBondContact O-N 2.88Å; R325-Q354 PolarHBondContact NH2-O 3.41Å; R325-F355 HydrophobicContact CB-CE1 3.96Å; R325-F355 HydrophobicContact CB-CZ 4.49Å; R325-F355 HydrophobicContact CG-CD1 3.85Å; R325-F355 HydrophobicContact CG-CE1 3.36Å; R325-F355 HydrophobicContact CG-CZ 3.82Å
326K93Very high95Very high167 Ų16757.5 Ų57.573%0.72630%0.296SS*.Hα-helixtrans-84.3-19.5-178.4-68.3169.7-172.81690112.6D322 Y323 M324D322-K326 WeakPolarHBondContact O-CD 3.37Å; D322-K326 WeakPolarHBondContact O-CG 3.37Å; Y323-K326 PolarHBondContact O-N 3.32Å; M324-K326 VanDerWaalsContact C-N 3.26Å; M324-K326 PolarHBondContact O-N 3.4Å
327N94.6Very high95Very high42 Ų4259.4 Ų59.423%0.22530%0.303CS..SBendtrans-129.837.4-172.1-53.6-84.2000111.3Y323 M324 N329 D330 V331Y323-N327 HydrophobicContact CE1-CB 4.18Å; Y323-N327 PolarHBondContact O-N 2.87Å; Y323-N327 PolarHBondContact O-ND2 2.79Å; M324-N327 CarbonylContact O-C 3.58Å; M324-N327 PolarHBondContact O-N 2.95Å; N327-N329 PolarHBondContact O-N 3.14Å; N327-D330 HydrophobicContact CB-CB 4.48Å; N327-D330 PolarHBondContact O-N 3.31Å; N327-V331 HydrophobicContact CB-CG2 4.3Å; N327-V331 WeakPolarHBondContact O-CG2 3.38Å; N327-V331 PolarHBondContact O-N 3.18Å
328V92.1Very high95Very high59 Ų5963.6 Ų63.636%0.35833%0.325SS..Hα-helixtrans-52.5-53.9-170.6175.90000111.5M324 D330 V331 T332 F355M324-V328 WeakPolarHBondContact O-CA 3.44Å; M324-V328 VanDerWaalsContact O-CG2 3.27Å; M324-V328 WeakPolarHBondContact O-CG2 3.46Å; M324-V328 PolarHBondContact O-N 3.5Å; V328-D330 PolarHBondContact O-N 3.07Å; V328-V331 PolarHBondContact O-N 3.18Å; V328-T332 HydrophobicContact CG1-CG2 4.22Å; V328-T332 WeakPolarHBondContact O-CG2 3.27Å; V328-T332 PolarHBondContact O-N 3.28Å; V328-T332 PolarHBondContact O-OG1 2.95Å; V328-T332 VanDerWaalsContact O-OG1 3.05Å; V328-F355 HydrophobicContact CG2-CE1 3.76Å; V328-F355 HydrophobicContact CG2-CZ 3.99Å
329N93.8Very high95.1Very high122 Ų12257.9 Ų57.965%0.65231%0.309SS*.Hα-helixtrans-60.4-46.7-176.7-59.5-24.6000111.6N327 V331 T332 D333N327-N329 PolarHBondContact O-N 3.14Å; N329-V331 VanDerWaalsContact C-N 3.31Å; N329-V331 PolarHBondContact O-N 3.04Å; N329-T332 WeakPolarHBondContact CA-OG1 3.37Å; N329-T332 PolarHBondContact O-N 3.01Å; N329-T332 PolarHBondContact O-OG1 3.42Å; N329-D333 VanDerWaalsContact O-CG 3.32Å; N329-D333 PolarHBondContact O-N 2.79Å
330D96.9Very high95Very high90 Ų9057.3 Ų57.348%0.48130%0.303SS..Hα-helixtrans-64.7-37.8-178.1-58-42.6000111.5V298 N327 V328 T334V298-D330 HydrophobicContact CG1-CB 4.02Å; V298-D330 WeakPolarHBondContact CG1-O 3.28Å; V298-D330 HydrophobicContact CG2-CB 3.95Å; N327-D330 HydrophobicContact CB-CB 4.48Å; N327-D330 PolarHBondContact O-N 3.31Å; V328-D330 PolarHBondContact O-N 3.07Å; D330-T334 WeakPolarHBondContact O-CG2 3.36Å
331V96Very high95Very high3 Ų361.6 Ų61.62%0.01833%0.325CS..Hα-helixtrans-71.4-43.2177.8172.90000111.1V301 Y323 M324 N327 V328 N329 D333 T334 W337V301-V331 HydrophobicContact CG1-CG1 4.07Å; V301-V331 HydrophobicContact CG1-CG2 3.68Å; Y323-V331 HydrophobicContact CE1-CG2 4.48Å; M324-V331 HydrophobicContact CE-CG1 4.25Å; M324-V331 HydrophobicContact CG-CG1 4.16Å; M324-V331 HydrophobicContact CG-CG2 4.42Å; M324-V331 HydrophobicContact SD-CG1 4.41Å; N327-V331 HydrophobicContact CB-CG2 4.3Å; N327-V331 WeakPolarHBondContact O-CG2 3.38Å; N327-V331 PolarHBondContact O-N 3.18Å; V328-V331 PolarHBondContact O-N 3.18Å; N329-V331 VanDerWaalsContact C-N 3.31Å; N329-V331 PolarHBondContact O-N 3.04Å; V331-D333 PolarHBondContact O-N 3.29Å; V331-T334 WeakPolarHBondContact O-CB 3.44Å; V331-T334 PolarHBondContact O-N 3.18Å; V331-T334 PolarHBondContact O-OG1 3.05Å; V331-W337 HydrophobicContact CG1-CE3 4.3Å; V331-W337 VanDerWaalsContact O-CB 3.24Å; V331-W337 WeakPolarHBondContact O-CB 3.39Å
332T94.2Very high95.1Very high49 Ų4969.2 Ų69.230%0.30135%0.353SS..Hα-helixtrans-64.8-22.1-17951.50000113.5V328 N329 T334 W337V328-T332 HydrophobicContact CG1-CG2 4.22Å; V328-T332 WeakPolarHBondContact O-CG2 3.27Å; V328-T332 PolarHBondContact O-N 3.28Å; V328-T332 PolarHBondContact O-OG1 2.95Å; V328-T332 VanDerWaalsContact O-OG1 3.05Å; N329-T332 WeakPolarHBondContact CA-OG1 3.37Å; N329-T332 PolarHBondContact O-N 3.01Å; N329-T332 PolarHBondContact O-OG1 3.42Å; T332-T334 VanDerWaalsContact C-N 3.31Å; T332-W337 HydrophobicContact CG2-CD2 4.31Å; T332-W337 HydrophobicContact CG2-CG 4.5Å; T332-W337 HydrophobicContact CG2-CZ2 4.27Å; T332-W337 VanDerWaalsContact O-CD1 3.25Å
333D95.6Very high95.3Very high138 Ų13869.9 Ų69.974%0.73836%0.356SS*.THydrogen-bonded Turntrans-85.61.4176.8-68.4-14.9000113.2N329 V331N329-D333 VanDerWaalsContact O-CG 3.32Å; N329-D333 PolarHBondContact O-N 2.79Å; V331-D333 PolarHBondContact O-N 3.29Å
334T97.2Very high95.2Very high25 Ų2571.1 Ų71.115%0.15336%0.361CS..SBendtrans-89.5149.818067.30000113.6V298 D330 V331 T332 G336 W337 E338V298-T334 HydrophobicContact CG1-CG2 3.64Å; D330-T334 WeakPolarHBondContact O-CG2 3.36Å; V331-T334 WeakPolarHBondContact O-CB 3.44Å; V331-T334 PolarHBondContact O-N 3.18Å; V331-T334 PolarHBondContact O-OG1 3.05Å; T332-T334 VanDerWaalsContact C-N 3.31Å; T334-G336 PolarHBondContact O-N 2.92Å; T334-W337 WeakPolarHBondContact O-CB 3.24Å; T334-W337 PolarHBondContact O-N 3.22Å; T334-W337 PolarHBondContact OG1-N 3.09Å; T334-E338 PolarHBondContact O-N 2.88Å
335A96.5Very high95.2Very high69 Ų6974.1 Ų74.157%0.5738%0.381SS*.Hα-helixtrans-60.8-27.1169.700000113.1W337 E338 T339A335-W337 VanDerWaalsContact C-N 3.3Å; A335-W337 PolarHBondContact O-N 3.04Å; A335-E338 PolarHBondContact O-N 3.17Å; A335-T339 PolarHBondContact O-N 3.39Å; A335-T339 PolarHBondContact O-OG1 3.09Å
336G95.8Very high95.1Very high16 Ų1676.3 Ų76.317%0.16539%0.394CS..Hα-helixtrans-64.2-36.2173.300000112.1T334 T339 I340T334-G336 PolarHBondContact O-N 2.92Å; G336-T339 WeakPolarHBondContact O-CB 3.35Å; G336-T339 PolarHBondContact O-N 3.11Å; G336-I340 PolarHBondContact O-N 2.8Å
337W96.4Very high95Very high40 Ų4068.6 Ų68.615%0.15236%0.361CS..Hα-helixtrans-69.7-41.5175.3-178.5-108.8000112.6V331 T332 T334 A335 T339 I340 I341 V348 L351V331-W337 HydrophobicContact CG1-CE3 4.3Å; V331-W337 VanDerWaalsContact O-CB 3.24Å; V331-W337 WeakPolarHBondContact O-CB 3.39Å; T332-W337 HydrophobicContact CG2-CD2 4.31Å; T332-W337 HydrophobicContact CG2-CG 4.5Å; T332-W337 HydrophobicContact CG2-CZ2 4.27Å; T332-W337 VanDerWaalsContact O-CD1 3.25Å; T334-W337 WeakPolarHBondContact O-CB 3.24Å; T334-W337 PolarHBondContact O-N 3.22Å; T334-W337 PolarHBondContact OG1-N 3.09Å; A335-W337 VanDerWaalsContact C-N 3.3Å; A335-W337 PolarHBondContact O-N 3.04Å; W337-T339 PolarHBondContact O-N 2.87Å; W337-I340 HydrophobicContact CE3-CD1 4.44Å; W337-I340 PolarHBondContact O-N 2.82Å; W337-I340 VanDerWaalsContact O-N 3.14Å; W337-I341 HydrophobicContact CG-CD1 4.47Å; W337-I341 VanDerWaalsContact NE1-CD1 3.27Å; W337-I341 PolarHBondContact O-N 3.35Å; W337-V348 HydrophobicContact CH2-CG1 4.43Å; W337-V348 HydrophobicContact CZ2-CG1 4.47Å; W337-L351 HydrophobicContact CH2-CD1 3.87Å; W337-L351 HydrophobicContact CZ3-CD1 3.59Å
338E96Very high94.8Very high132 Ų13268.1 Ų68.162%0.61736%0.36SS*.Hα-helixtrans-58.4-39.5172.8-64.2-177.9167.800111.6T334 A335 I341 R342T334-E338 PolarHBondContact O-N 2.88Å; A335-E338 PolarHBondContact O-N 3.17Å; E338-I341 PolarHBondContact O-N 3.4Å; E338-R342 WeakPolarHBondContact O-CB 3.25Å; E338-R342 PolarHBondContact O-N 3.42Å
339T96.5Very high94.6Very high53 Ų5368.6 Ų68.633%0.32536%0.362SS..Hα-helixtrans-62.9-44.5174.7-57.60000111.4A335 G336 W337 I341 R342 D343A335-T339 PolarHBondContact O-N 3.39Å; A335-T339 PolarHBondContact O-OG1 3.09Å; G336-T339 WeakPolarHBondContact O-CB 3.35Å; G336-T339 PolarHBondContact O-N 3.11Å; W337-T339 PolarHBondContact O-N 2.87Å; T339-I341 PolarHBondContact O-N 3.03Å; T339-R342 PolarHBondContact O-N 3.31Å; T339-D343 WeakPolarHBondContact CG2-OD2 3.39Å; T339-D343 WeakPolarHBondContact O-CB 3.45Å; T339-D343 PolarHBondContact O-N 3.02Å
340I96Very high94.2Very high2 Ų265.8 Ų65.81%0.0135%0.345CS..Hα-helixtrans-59.9-47.3175-72.4178.2000111.4C302 L305 V306 M324 G336 W337 R342 Y344 L347 V348C302-I340 HydrophobicContact CB-CD1 3.51Å; C302-I340 HydrophobicContact CB-CG1 4.19Å; L305-I340 HydrophobicContact CD2-CD1 4.15Å; V306-I340 HydrophobicContact CG2-CD1 4.38Å; V306-I340 HydrophobicContact CG2-CG1 3.97Å; M324-I340 HydrophobicContact CE-CD1 4.26Å; G336-I340 PolarHBondContact O-N 2.8Å; W337-I340 HydrophobicContact CE3-CD1 4.44Å; W337-I340 PolarHBondContact O-N 2.82Å; W337-I340 VanDerWaalsContact O-N 3.14Å; I340-R342 VanDerWaalsContact C-N 3.26Å; I340-R342 PolarHBondContact O-N 3.5Å; I340-Y344 CarbonylContact O-C 3.48Å; I340-Y344 VanDerWaalsContact O-CA 3.3Å; I340-Y344 WeakPolarHBondContact O-CA 3.41Å; I340-Y344 PolarHBondContact O-N 3.2Å; I340-L347 HydrophobicContact CG2-CD2 4.4Å; I340-V348 HydrophobicContact CG2-CG2 3.59Å
341I95.8Very high93.6Very high90 Ų9061.5 Ų61.546%0.46232%0.323SS..Hα-helixtrans-58.6-41.8179.8-71.7170.7000111.3W337 E338 T339 V348W337-I341 HydrophobicContact CG-CD1 4.47Å; W337-I341 VanDerWaalsContact NE1-CD1 3.27Å; W337-I341 PolarHBondContact O-N 3.35Å; E338-I341 PolarHBondContact O-N 3.4Å; T339-I341 PolarHBondContact O-N 3.03Å; I341-V348 HydrophobicContact CG1-CG2 4.24Å
342R96.5Very high93.1Very high168 Ų16865.4 Ų65.463%0.63435%0.346SS*.Hα-helixtrans-76.3-46.4-175.1-172.2-175.363.6-138.3-9.8112.5E338 T339 I340E338-R342 WeakPolarHBondContact O-CB 3.25Å; E338-R342 PolarHBondContact O-N 3.42Å; T339-R342 PolarHBondContact O-N 3.31Å; I340-R342 VanDerWaalsContact C-N 3.26Å; I340-R342 PolarHBondContact O-N 3.5Å
343D96.7Very high92.5Very high78 Ų7870.2 Ų70.242%0.41736%0.359SS..Hα-helixtrans-104.4-19.6-165.1-56.1-23.6000112.6T339T339-D343 WeakPolarHBondContact CG2-OD2 3.39Å; T339-D343 WeakPolarHBondContact O-CB 3.45Å; T339-D343 PolarHBondContact O-N 3.02Å
344Y94.9Very high91.5Very high83 Ų8366.6 Ų66.633%0.32534%0.337SS..  trans-137.156.8-177-53.9-84.1000113V306 I340 E346 L347 V348V306-Y344 HydrophobicContact CB-CE2 4.47Å; V306-Y344 HydrophobicContact CG1-CD1 4.27Å; V306-Y344 HydrophobicContact CG1-CD2 4.29Å; V306-Y344 HydrophobicContact CG1-CE1 3.7Å; V306-Y344 HydrophobicContact CG1-CE2 3.73Å; V306-Y344 HydrophobicContact CG2-CD2 3.73Å; V306-Y344 HydrophobicContact CG2-CE2 3.85Å; V306-Y344 HydrophobicContact CG2-CG 4.12Å; I340-Y344 CarbonylContact O-C 3.48Å; I340-Y344 VanDerWaalsContact O-CA 3.3Å; I340-Y344 WeakPolarHBondContact O-CA 3.41Å; I340-Y344 PolarHBondContact O-N 3.2Å; Y344-E346 VanDerWaalsContact C-N 3.29Å; Y344-E346 WeakPolarHBondContact CA-OE1 3.45Å; Y344-E346 PolarHBondContact O-N 2.9Å; Y344-L347 VanDerWaalsContact O-CB 3.3Å; Y344-L347 WeakPolarHBondContact O-CB 3.24Å; Y344-L347 PolarHBondContact O-N 3.33Å; Y344-L347 VanDerWaalsContact O-N 3.12Å; Y344-V348 PolarHBondContact O-N 3.23Å
345P93.2Very high90.4Very high69 Ų6968.6 Ų68.645%0.44834%0.344SS..Hα-helixtrans-65.2-27.2-174.727.1-36000114.3L347 V348 T349P345-L347 VanDerWaalsContact C-N 3.31Å; P345-V348 WeakPolarHBondContact O-CB 3.39Å; P345-V348 PolarHBondContact O-N 2.91Å; P345-T349 PolarHBondContact O-N 3.33Å; P345-T349 PolarHBondContact O-OG1 2.96Å
346E90.5Very high88.8Confident108 Ų10870.5 Ų70.551%0.50535%0.345SS..Hα-helixtrans-64.4-37.5173.168.8-62.8145.600111.8Y344 V348 T349 E350Y344-E346 VanDerWaalsContact C-N 3.29Å; Y344-E346 WeakPolarHBondContact CA-OE1 3.45Å; Y344-E346 PolarHBondContact O-N 2.9Å; E346-V348 VanDerWaalsContact C-N 3.35Å; E346-V348 PolarHBondContact O-N 3.21Å; E346-T349 WeakPolarHBondContact O-CB 3.35Å; E346-T349 PolarHBondContact O-N 3.05Å; E346-E350 PolarHBondContact O-N 2.71Å
347L89.7Confident86.9Confident5 Ų574.3 Ų74.33%0.02636%0.36CS..Hα-helixtrans-61.2-47.2176-17258.9000109.4L305 V306 D309 Y317 I340 Y344 P345 T349 E350 L351L305-L347 HydrophobicContact CD2-CD1 4.2Å; L305-L347 HydrophobicContact CD2-CD2 3.7Å; L305-L347 HydrophobicContact CD2-CG 3.93Å; L305-L347 HydrophobicContact CG-CD1 4.28Å; L305-L347 HydrophobicContact CG-CD2 3.92Å; L305-L347 HydrophobicContact CG-CG 4.39Å; V306-L347 HydrophobicContact CG2-CD2 4.02Å; D309-L347 HydrophobicContact CB-CD1 4.25Å; Y317-L347 HydrophobicContact CE2-CD1 3.83Å; I340-L347 HydrophobicContact CG2-CD2 4.4Å; Y344-L347 VanDerWaalsContact O-CB 3.3Å; Y344-L347 WeakPolarHBondContact O-CB 3.24Å; Y344-L347 PolarHBondContact O-N 3.33Å; Y344-L347 VanDerWaalsContact O-N 3.12Å; P345-L347 VanDerWaalsContact C-N 3.31Å; L347-T349 VanDerWaalsContact C-N 3.28Å; L347-T349 PolarHBondContact O-N 3.29Å; L347-E350 WeakPolarHBondContact O-CB 3.34Å; L347-E350 PolarHBondContact O-N 3.43Å; L347-L351 HydrophobicContact CD1-CD2 4.45Å; L347-L351 WeakPolarHBondContact O-CG 3.33Å; L347-L351 PolarHBondContact O-N 3.02Å
348V90.6Very high84.7Confident32 Ų3278.1 Ų78.119%0.19438%0.38CS..Hα-helixtrans-54-44.2174.9-176.60000111.9W337 I340 I341 Y344 P345 E346 E350 L351 V352W337-V348 HydrophobicContact CH2-CG1 4.43Å; W337-V348 HydrophobicContact CZ2-CG1 4.47Å; I340-V348 HydrophobicContact CG2-CG2 3.59Å; I341-V348 HydrophobicContact CG1-CG2 4.24Å; Y344-V348 PolarHBondContact O-N 3.23Å; P345-V348 WeakPolarHBondContact O-CB 3.39Å; P345-V348 PolarHBondContact O-N 2.91Å; E346-V348 VanDerWaalsContact C-N 3.35Å; E346-V348 PolarHBondContact O-N 3.21Å; V348-E350 VanDerWaalsContact C-N 3.32Å; V348-E350 PolarHBondContact O-N 3.24Å; V348-L351 WeakPolarHBondContact O-CB 3.43Å; V348-L351 PolarHBondContact O-N 3.39Å; V348-V352 HydrophobicContact CG1-CG2 4.48Å; V348-V352 WeakPolarHBondContact O-CG2 3.34Å; V348-V352 PolarHBondContact O-N 2.92Å
349T87.7Confident82.3Confident68 Ų6882.3 Ų82.342%0.41739%0.39SS..Hα-helixtrans-61.7-43179.1-58.30000111.1P345 E346 L347 V352 R353P345-T349 PolarHBondContact O-N 3.33Å; P345-T349 PolarHBondContact O-OG1 2.96Å; E346-T349 WeakPolarHBondContact O-CB 3.35Å; E346-T349 PolarHBondContact O-N 3.05Å; L347-T349 VanDerWaalsContact C-N 3.28Å; L347-T349 PolarHBondContact O-N 3.29Å; T349-V352 PolarHBondContact O-N 2.81Å; T349-R353 WeakPolarHBondContact O-CG 3.47Å; T349-R353 PolarHBondContact O-N 3.04Å; T349-R353 VanDerWaalsContact O-N 3.17Å
350E84.6Confident79.8Confident63 Ų6384 Ų8429%0.29441%0.409SS..Hα-helixtrans-65.6-40.5175.5-174.154-151.500111.7E346 L347 V348 V352 R353 Q354E346-E350 PolarHBondContact O-N 2.71Å; L347-E350 WeakPolarHBondContact O-CB 3.34Å; L347-E350 PolarHBondContact O-N 3.43Å; V348-E350 VanDerWaalsContact C-N 3.32Å; V348-E350 PolarHBondContact O-N 3.24Å; E350-V352 PolarHBondContact O-N 3.44Å; E350-R353 PolarHBondContact O-N 3.3Å; E350-R353 IonicContact OE2-NH1 3.97Å; E350-Q354 HydrophobicContact CG-CG 4.45Å; E350-Q354 VanDerWaalsContact O-CG 3.26Å; E350-Q354 WeakPolarHBondContact O-CG 3.31Å; E350-Q354 PolarHBondContact O-N 3.39Å; E350-Q354 WeakPolarHBondContact OE1-CG 3.44Å; E350-Q354 PolarHBondContact OE1-NE2 2.9Å
351L85.5Confident77.1Confident1 Ų192.6 Ų92.61%0.00545%0.454CS..Hα-helixtrans-55.3-52.7175.5-60.3-161000111L305 M321 M324 W337 L347 V348 R353 Q354 F355L305-L351 HydrophobicContact CD2-CD1 3.8Å; L305-L351 HydrophobicContact CD2-CD2 3.9Å; L305-L351 HydrophobicContact CD2-CG 4.35Å; M321-L351 HydrophobicContact CE-CD1 4.15Å; M321-L351 HydrophobicContact CE-CD2 3.24Å; M321-L351 HydrophobicContact CE-CG 4.26Å; M321-L351 HydrophobicContact SD-CD2 3.21Å; M321-L351 WeakPolarHBondContact SD-CD2 3.31Å; M324-L351 HydrophobicContact SD-CD1 4.02Å; W337-L351 HydrophobicContact CH2-CD1 3.87Å; W337-L351 HydrophobicContact CZ3-CD1 3.59Å; L347-L351 HydrophobicContact CD1-CD2 4.45Å; L347-L351 WeakPolarHBondContact O-CG 3.33Å; L347-L351 PolarHBondContact O-N 3.02Å; V348-L351 WeakPolarHBondContact O-CB 3.43Å; V348-L351 PolarHBondContact O-N 3.39Å; L351-R353 VanDerWaalsContact C-N 3.32Å; L351-R353 PolarHBondContact O-N 3.02Å; L351-Q354 CarbonylContact O-C 3.49Å; L351-Q354 WeakPolarHBondContact O-CA 3.4Å; L351-Q354 WeakPolarHBondContact O-CB 3.24Å; L351-Q354 PolarHBondContact O-N 3.29Å; L351-F355 HydrophobicContact CB-CE2 4.36Å; L351-F355 WeakPolarHBondContact O-CD2 3.46Å; L351-F355 PolarHBondContact O-N 2.77Å
352V84.2Confident76.2Confident85 Ų8592.7 Ų92.752%0.51545%0.454SS..Hα-helixtrans-59.8-41.4-178.7174.70000111.4V348 T349 E350 Q354 F355 D356V348-V352 HydrophobicContact CG1-CG2 4.48Å; V348-V352 WeakPolarHBondContact O-CG2 3.34Å; V348-V352 PolarHBondContact O-N 2.92Å; T349-V352 PolarHBondContact O-N 2.81Å; E350-V352 PolarHBondContact O-N 3.44Å; V352-Q354 VanDerWaalsContact C-N 3.3Å; V352-Q354 PolarHBondContact O-N 2.83Å; V352-F355 WeakPolarHBondContact O-CB 3.12Å; V352-F355 PolarHBondContact O-N 2.91Å; V352-F355 VanDerWaalsContact O-N 3.17Å; V352-D356 PolarHBondContact O-N 3.3Å
353R82.5Confident75.1Confident150 Ų15088.7 Ų88.757%0.56644%0.444SS*.Hα-helixtrans-60.3-41.4174.4-72.5176-179.3149.71.7112.1T349 E350 L351 F355 D356 I357T349-R353 WeakPolarHBondContact O-CG 3.47Å; T349-R353 PolarHBondContact O-N 3.04Å; T349-R353 VanDerWaalsContact O-N 3.17Å; E350-R353 PolarHBondContact O-N 3.3Å; E350-R353 IonicContact OE2-NH1 3.97Å; L351-R353 VanDerWaalsContact C-N 3.32Å; L351-R353 PolarHBondContact O-N 3.02Å; R353-F355 VanDerWaalsContact C-N 3.26Å; R353-F355 PolarHBondContact O-N 3.22Å; R353-D356 PolarHBondContact O-N 2.93Å; R353-I357 WeakPolarHBondContact O-CG1 3.2Å; R353-I357 PolarHBondContact O-N 3.05Å
354Q74.5Confident73.9Confident61 Ų6189.3 Ų89.329%0.28545%0.446SS..Hα-helixtrans-70.2-21.1178.7-68.4-68.1-2300113.2R325 E350 L351 V352R325-Q354 PolarHBondContact NH2-O 3.41Å; E350-Q354 HydrophobicContact CG-CG 4.45Å; E350-Q354 VanDerWaalsContact O-CG 3.26Å; E350-Q354 WeakPolarHBondContact O-CG 3.31Å; E350-Q354 PolarHBondContact O-N 3.39Å; E350-Q354 WeakPolarHBondContact OE1-CG 3.44Å; E350-Q354 PolarHBondContact OE1-NE2 2.9Å; L351-Q354 CarbonylContact O-C 3.49Å; L351-Q354 WeakPolarHBondContact O-CA 3.4Å; L351-Q354 WeakPolarHBondContact O-CB 3.24Å; L351-Q354 PolarHBondContact O-N 3.29Å; V352-Q354 VanDerWaalsContact C-N 3.3Å; V352-Q354 PolarHBondContact O-N 2.83Å
355F74.4Confident72.7Confident68 Ų6889.7 Ų89.730%0.29845%0.453SS..Hα-helixtrans-75.7-39170.7-79.9-79000112.4R325 V328 L351 V352 R353R325-F355 HydrophobicContact CB-CE1 3.96Å; R325-F355 HydrophobicContact CB-CZ 4.49Å; R325-F355 HydrophobicContact CG-CD1 3.85Å; R325-F355 HydrophobicContact CG-CE1 3.36Å; R325-F355 HydrophobicContact CG-CZ 3.82Å; V328-F355 HydrophobicContact CG2-CE1 3.76Å; V328-F355 HydrophobicContact CG2-CZ 3.99Å; L351-F355 HydrophobicContact CB-CE2 4.36Å; L351-F355 WeakPolarHBondContact O-CD2 3.46Å; L351-F355 PolarHBondContact O-N 2.77Å; V352-F355 WeakPolarHBondContact O-CB 3.12Å; V352-F355 PolarHBondContact O-N 2.91Å; V352-F355 VanDerWaalsContact O-N 3.17Å; R353-F355 VanDerWaalsContact C-N 3.26Å; R353-F355 PolarHBondContact O-N 3.22Å
356D62.4Low71.4Confident109 Ų10991 Ų9158%0.58345%0.453SS*.Hα-helixtrans-70.6-39.3-178.2-105.2-10.3000112.8V352 R353 H358 R359 A360V352-D356 PolarHBondContact O-N 3.3Å; R353-D356 PolarHBondContact O-N 2.93Å; D356-H358 PolarHBondContact O-N 3.11Å; D356-R359 PolarHBondContact O-N 3.1Å; D356-A360 PolarHBondContact O-N 3.37Å
357I56.6Low70.1Confident95 Ų9589.9 Ų89.949%0.48745%0.45SS..Hα-helixtrans-60.6-31.2-179.6-65.5165.9000111.8R353R353-I357 WeakPolarHBondContact O-CG1 3.2Å; R353-I357 PolarHBondContact O-N 3.05Å
358H50.4Low68.7Low120 Ų12095.9 Ų95.956%0.55648%0.48SS*.Hα-helixtrans-89.9-10.3-178.6-122.669.9000114.5D356D356-H358 PolarHBondContact O-N 3.11Å
359R46.3Very low67Low220 Ų220100.8 Ų100.883%0.8350%0.502SS*.Hα-helixtrans-82.9-19.1167.3-85.4-173.5169.9-177.5-0.6112.8D356D356-R359 PolarHBondContact O-N 3.1Å
360A42.1Very low65.3Low89 Ų89103.6 Ų103.674%0.73651%0.509SS*.  trans-86.9-11.517900000113.8D356D356-A360 PolarHBondContact O-N 3.37Å
361L40.1Very low63.5Low182 Ų182107.3 Ų107.395%0.95353%0.529SS*.  trans-103.10171.6-66.8171.6000109.5

Retrieved 361 of 361 residues in 391.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).