A0A077ZFV3_TRITR Loading...

L-lactate dehydrogenase

AlphaFold DB , UniProt , Accession A0A077ZFV3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 339 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
1M42.2Very low56.5Low243 Ų243147.5 Ų147.5100%1.19779%0.789SS**  099.70-79.7173.7168.800109.2
2R39.7Very low59Low248 Ų248141.9 Ų141.994%0.93676%0.764SS**  trans-132.897.9161.3-91-175176.8178.5-0.8105.9M4R2-M4 PolarHBondContact O-N 3.05Å
3T42Very low61.2Low132 Ų132142.1 Ų142.181%0.8175%0.754SS**  trans-70.3106.6171.829.60000108T5T3-T5 PolarHBondContact O-N 2.7Å; T3-T5 VanDerWaalsContact O-N 3.12Å
4M44.7Very low63.4Low195 Ų195138.4 Ų138.496%0.96175%0.754SS**  trans-70.8100.1162.9-72.1-163.4-15700107.6R2 S6R2-M4 PolarHBondContact O-N 3.05Å; M4-S6 PolarHBondContact O-N 3.18Å
5T47.9Very low65.4Low120 Ų120137.9 Ų137.974%0.73675%0.749SS**  trans-71.7121.3168.1400000109.1T3 T7T3-T5 PolarHBondContact O-N 2.7Å; T3-T5 VanDerWaalsContact O-N 3.12Å; T5-T7 PolarHBondContact O-N 3.44Å
6S49.5Very low67.1Low88 Ų88136.9 Ų136.962%0.61574%0.74SS**  trans-45.7109.8178.1172.70000112.8M4 T8M4-S6 PolarHBondContact O-N 3.18Å; S6-T8 VanDerWaalsContact C-N 3.3Å; S6-T8 PolarHBondContact OG-OG1 2.85Å
7T59.1Low68.5Low134 Ų134135.4 Ų135.482%0.82274%0.742SS**  trans-91.28.2172.815.10000112.1T5 M9T5-T7 PolarHBondContact O-N 3.44Å; T7-M9 PolarHBondContact O-N 3.12Å
8T57Low69.7Low112 Ų112136.7 Ų136.769%0.68774%0.742SS**  trans-92.215.3-159.6-13.80000115.3S6S6-T8 VanDerWaalsContact C-N 3.3Å; S6-T8 PolarHBondContact OG-OG1 2.85Å
9M64.5Low70.9Confident108 Ų108138.6 Ų138.653%0.53275%0.749SS.*  trans-126.5-9.9-167.7-74-166170.600117.9T7 V12 K13T7-M9 PolarHBondContact O-N 3.12Å; M9-V12 PolarHBondContact O-N 3Å; M9-K13 HydrophobicContact CB-CD 4.46Å; M9-K13 WeakPolarHBondContact O-CB 3.41Å; M9-K13 VanDerWaalsContact O-CG 3.3Å; M9-K13 WeakPolarHBondContact O-CG 3.28Å; M9-K13 PolarHBondContact O-N 3.16Å
10D84Confident71.9Confident125 Ų125135.1 Ų135.167%0.66874%0.74SS**Hα-helixtrans-69.6-43.7-172.3-68.3-16.8000112.8V12 K13 A14D10-V12 PolarHBondContact O-N 2.72Å; D10-K13 PolarHBondContact O-N 2.87Å; D10-A14 WeakPolarHBondContact O-CB 3.48Å; D10-A14 PolarHBondContact O-N 3.01Å
11T90.6Very high72.5Confident117 Ų117133.5 Ų133.572%0.71874%0.736SS**Hα-helixtrans-64.2-40.5176.1-51.10000112.2A14 L15T11-A14 PolarHBondContact O-N 3.24Å; T11-L15 VanDerWaalsContact O-CB 3.27Å; T11-L15 WeakPolarHBondContact O-CB 3.47Å; T11-L15 PolarHBondContact O-N 2.9Å
12V87.4Confident74.5Confident81 Ų81126.4 Ų126.449%0.49172%0.716SS.*Hα-helixtrans-63.2-46.2179-179.50000110.4M9 D10 A14 L15 M16M9-V12 PolarHBondContact O-N 3Å; D10-V12 PolarHBondContact O-N 2.72Å; V12-A14 VanDerWaalsContact C-N 3.32Å; V12-A14 PolarHBondContact O-N 3.08Å; V12-L15 PolarHBondContact O-N 3.41Å; V12-M16 HydrophobicContact CG1-CE 4.35Å; V12-M16 PolarHBondContact O-N 3.36Å
13K86.7Confident76.4Confident144 Ų144120 Ų12063%0.62671%0.705SS**Hα-helixtrans-64-35.1176.5-72.9175.8179.71780112.8M9 D10M9-K13 HydrophobicContact CB-CD 4.46Å; M9-K13 WeakPolarHBondContact O-CB 3.41Å; M9-K13 VanDerWaalsContact O-CG 3.3Å; M9-K13 WeakPolarHBondContact O-CG 3.28Å; M9-K13 PolarHBondContact O-N 3.16Å; D10-K13 PolarHBondContact O-N 2.87Å
14A92.3Very high77.7Confident91 Ų91118.8 Ų118.875%0.75270%0.702SS**Hα-helixtrans-71.9-30.4175.600000112.8D10 T11 V12D10-A14 WeakPolarHBondContact O-CB 3.48Å; D10-A14 PolarHBondContact O-N 3.01Å; T11-A14 PolarHBondContact O-N 3.24Å; V12-A14 VanDerWaalsContact C-N 3.32Å; V12-A14 PolarHBondContact O-N 3.08Å
15L93.5Very high78.9Confident131 Ų131114.2 Ų114.269%0.68669%0.685SS**Hα-helixtrans-88.9-36.5-175.9-175.462000113.3T11 V12T11-L15 VanDerWaalsContact O-CB 3.27Å; T11-L15 WeakPolarHBondContact O-CB 3.47Å; T11-L15 PolarHBondContact O-N 2.9Å; V12-L15 PolarHBondContact O-N 3.41Å
16M92.5Very high79.9Confident122 Ų122110 Ų11060%0.60166%0.66SS**  trans-140.1144.9-169.8-64.8-178.2-80.900112.1V12V12-M16 HydrophobicContact CG1-CE 4.35Å; V12-M16 PolarHBondContact O-N 3.36Å
17S91.1Very high81.3Confident110 Ų110113.4 Ų113.477%0.76967%0.666SS**  trans-108.6124.2167.8-64.20000109.5I19S17-I19 PolarHBondContact O-N 3.09Å
18E89.1Confident82.9Confident159 Ų159108 Ų10874%0.74363%0.634SS**  trans-73116.7173.8-173.3179.6123.500109.6A20E18-A20 WeakPolarHBondContact CG-O 3.46Å
19I92.6Very high84.8Confident173 Ų173103.2 Ų103.289%0.88760%0.604SS**SBendtrans-90.4-25175.260.7172.1000112.5S17S17-I19 PolarHBondContact O-N 3.09Å
20A91.4Very high86.4Confident68 Ų6898 Ų9856%0.56258%0.578SS**SBendtrans-163.8149.1176.300000108.6E18E18-A20 WeakPolarHBondContact CG-O 3.46Å
21P85.7Confident87.1Confident102 Ų10292.1 Ų92.166%0.66255%0.547SS*.PPolyproline II helixtrans-68.4144.9179.628-35.1000111.3
22A82.9Confident87.5Confident94 Ų9486.5 Ų86.578%0.77751%0.512SS*.PPolyproline II helixtrans-64.3141.3172.700000111.2S24A22-S24 PolarHBondContact O-N 3.04Å
23T79.7Confident88.1Confident114 Ų11482.8 Ų82.870%0.69949%0.49SS*.PPolyproline II helixtrans-63.3123.6175.4-52.90000110.4V25T23-V25 HydrophobicContact CG2-CB 4.37Å
24S70.4Confident88.6Confident107 Ų10776.1 Ų76.175%0.74846%0.462SS*.  trans-87.1-11.6-17959.80000113.9A22 P26A22-S24 PolarHBondContact O-N 3.04Å; S24-P26 VanDerWaalsContact O-CD 3.28Å; S24-P26 WeakPolarHBondContact O-CD 3.16Å
25V69Low88.9Confident99 Ų9971.8 Ų71.860%0.643%0.426SS*.SBendtrans-90.7111.2-177.9-175.30000109.4T23 H27T23-V25 HydrophobicContact CG2-CB 4.37Å; V25-H27 PolarHBondContact O-N 3.19Å
26P69Low89.1Confident32 Ų3266.7 Ų66.721%0.20841%0.406CS..  trans-68131.2174.428.5-35000110.2S24 A28 K29 E54S24-P26 VanDerWaalsContact O-CD 3.28Å; S24-P26 WeakPolarHBondContact O-CD 3.16Å; P26-A28 VanDerWaalsContact C-N 3.32Å; P26-K29 HydrophobicContact CB-CB 4.2Å; P26-K29 HydrophobicContact CG-CB 3.82Å; P26-K29 HydrophobicContact CG-CD 3.92Å; P26-K29 HydrophobicContact CG-CG 4.33Å; P26-E54 HydrophobicContact CB-CB 3.58Å; P26-E54 HydrophobicContact CB-CG 4.45Å; P26-E54 HydrophobicContact CG-CB 4.01Å; P26-E54 HydrophobicContact CG-CG 4.42Å
27H78.9Confident89.3Confident159 Ų15964.7 Ų64.774%0.73640%0.395SS*.SBendtrans-69.5-32.4176.2-67-71.4000112.5V25V25-H27 PolarHBondContact O-N 3.19Å
28A92.7Very high89.6Confident20 Ų2061.1 Ų61.117%0.16537%0.368CS..SBendtrans-130.464.4-168.900000111.9P26 A52 S53 E54 M271P26-A28 VanDerWaalsContact C-N 3.32Å; A28-A52 CarbonylContact O-C 3.5Å; A28-A52 WeakPolarHBondContact O-CA 3.36Å; A28-A52 WeakPolarHBondContact O-CB 3.38Å; A28-S53 PolarHBondContact N-OG 2.96Å; A28-S53 VanDerWaalsContact N-OG 3.14Å; A28-S53 PolarHBondContact O-N 2.71Å; A28-S53 PolarHBondContact O-OG 3.16Å; A28-E54 PolarHBondContact O-N 3.39Å; A28-M271 HydrophobicContact CB-CE 3.31Å
29K97.3Very high90.1Very high11 Ų1153.6 Ų53.65%0.04833%0.333CS..EExtended strand (participates in β ladder)trans-88.1128.2-179.4-176.5174.9-178.2157.30112.8P26 E54 V92 A94 K97P26-K29 HydrophobicContact CB-CB 4.2Å; P26-K29 HydrophobicContact CG-CB 3.82Å; P26-K29 HydrophobicContact CG-CD 3.92Å; P26-K29 HydrophobicContact CG-CG 4.33Å; K29-E54 CarbonylContact C-O 3.59Å; K29-E54 WeakPolarHBondContact CA-O 3.3Å; K29-E54 HydrophobicContact CB-CB 4.23Å; K29-E54 HydrophobicContact CD-CG 4.42Å; K29-E54 WeakPolarHBondContact CD-OE1 3.12Å; K29-E54 WeakPolarHBondContact CE-OE1 3.48Å; K29-E54 HydrophobicContact CG-CB 4.17Å; K29-E54 HydrophobicContact CG-CG 4.17Å; K29-E54 IonicContact NZ-OE1 2.84Å; K29-E54 PolarHBondContact NZ-OE1 2.94Å; K29-V92 WeakPolarHBondContact CE-O 3.18Å; K29-V92 PolarHBondContact NZ-O 2.86Å; K29-A94 WeakPolarHBondContact CD-O 3.35Å; K29-A94 WeakPolarHBondContact CE-O 3.37Å; K29-A94 PolarHBondContact NZ-O 3.38Å; K29-K97 PolarHBondContact O-N 3.42Å
30I98.6Very high90.4Very high0 Ų046.4 Ų46.40%030%0.296CS..EExtended strand (participates in β ladder)trans-120.2127.8171.4-60.8-176.5000109.5I32 I46 T51 A52 E54 I55 C56 I98 V100 C267 M271I30-I32 HydrophobicContact CG2-CG1 4.47Å; I30-I46 HydrophobicContact CD1-CD1 4.41Å; I30-I46 HydrophobicContact CD1-CG2 4.08Å; I30-I46 HydrophobicContact CG2-CD1 4.18Å; I30-T51 HydrophobicContact CD1-CG2 4.04Å; I30-A52 HydrophobicContact CB-CB 4.22Å; I30-A52 HydrophobicContact CD1-CB 3.97Å; I30-A52 HydrophobicContact CG1-CB 3.93Å; I30-E54 PolarHBondContact N-O 3.25Å; I30-I55 WeakPolarHBondContact O-CA 3.28Å; I30-C56 PolarHBondContact O-N 3.37Å; I30-I98 WeakPolarHBondContact CA-O 2.95Å; I30-I98 HydrophobicContact CD1-CD1 4.13Å; I30-I98 HydrophobicContact CG1-CB 4.24Å; I30-I98 HydrophobicContact CG1-CD1 4.45Å; I30-I98 HydrophobicContact CG2-CB 4.36Å; I30-V100 HydrophobicContact CG2-CG2 4.07Å; I30-C267 HydrophobicContact CD1-CB 3.91Å; I30-M271 HydrophobicContact CD1-CG 4.2Å
31T98.8Very high90.7Very high0 Ų043.2 Ų43.20%027%0.27CS..EExtended strand (participates in β ladder)trans-97.3138.5170.3-81.70000110.3V33 C56 I58 T93 S96 I98 C99 V100 L131T31-V33 HydrophobicContact CG2-CG2 3.92Å; T31-C56 CarbonylContact C-O 3.56Å; T31-C56 WeakPolarHBondContact CA-O 3.22Å; T31-C56 WeakPolarHBondContact OG1-CB 3.4Å; T31-I58 HydrophobicContact CG2-CG1 4.2Å; T31-T93 HydrophobicContact CG2-CG2 3.61Å; T31-T93 WeakPolarHBondContact OG1-CB 3.33Å; T31-S96 PolarHBondContact OG1-OG 3.44Å; T31-I98 PolarHBondContact N-O 3.01Å; T31-C99 CarbonylContact O-C 3.54Å; T31-C99 WeakPolarHBondContact O-CA 3.32Å; T31-V100 PolarHBondContact O-N 3.13Å; T31-L131 HydrophobicContact CG2-CD2 4.21Å
32I98.9Very high91.4Very high0 Ų038.3 Ų38.30%024%0.238CC..EExtended strand (participates in β ladder)trans-119123.2171.9-60.3168.9000108I30 C42 A43 I46 I55 C56 L57 I58 V100 T102I30-I32 HydrophobicContact CG2-CG1 4.47Å; I32-C42 HydrophobicContact CD1-CB 4.32Å; I32-A43 HydrophobicContact CD1-CB 3.43Å; I32-A43 VanDerWaalsContact CD1-CB 3.43Å; I32-I46 HydrophobicContact CD1-CD1 4.22Å; I32-I55 HydrophobicContact CD1-CG2 4.26Å; I32-C56 PolarHBondContact N-O 2.89Å; I32-L57 HydrophobicContact CB-CD2 4.04Å; I32-L57 HydrophobicContact CD1-CD2 4.29Å; I32-I58 PolarHBondContact O-N 3.45Å; I32-V100 WeakPolarHBondContact CA-O 3.41Å; I32-V100 HydrophobicContact CG1-CB 4.22Å; I32-T102 HydrophobicContact CG2-CG2 4.41Å
33V98.7Very high92.1Very high2 Ų233.9 Ų33.91%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-103.8123.4177.9-166.60000109.8T31 I58 V100 T102 A103 M127 L131T31-V33 HydrophobicContact CG2-CG2 3.92Å; V33-I58 HydrophobicContact CG1-CB 4.16Å; V33-I58 HydrophobicContact CG1-CG2 4Å; V33-I58 HydrophobicContact CG2-CB 4.32Å; V33-V100 PolarHBondContact N-O 3.14Å; V33-T102 CarbonylContact O-C 3.57Å; V33-T102 WeakPolarHBondContact O-CA 3.08Å; V33-T102 PolarHBondContact O-N 3.26Å; V33-T102 PolarHBondContact O-OG1 3.17Å; V33-A103 HydrophobicContact CG1-CB 4.12Å; V33-A103 PolarHBondContact O-N 3.19Å; V33-M127 HydrophobicContact CB-SD 4.02Å; V33-M127 HydrophobicContact CG1-CG 4.29Å; V33-M127 HydrophobicContact CG1-SD 3.36Å; V33-M127 WeakPolarHBondContact CG1-SD 3.24Å; V33-M127 HydrophobicContact CG2-SD 4.5Å; V33-L131 HydrophobicContact CG2-CD1 4.07Å; V33-L131 HydrophobicContact CG2-CD2 3.83Å
34G98.2Very high93Very high4 Ų433.6 Ų33.64%0.04119%0.19CC..  trans92.5119.7-168.100000111.3G36 G39 I58 D59 T102G34-G36 VanDerWaalsContact C-N 3.33Å; G34-G39 WeakPolarHBondContact O-CA 3.43Å; G34-I58 PolarHBondContact N-O 3.4Å; G34-D59 VanDerWaalsContact CA-OD2 3.3Å; G34-D59 WeakPolarHBondContact CA-OD2 3.42Å; G34-T102 PolarHBondContact O-OG1 2.85Å; G34-T102 VanDerWaalsContact O-OG1 3.07Å
35V98.3Very high94.3Very high0 Ų028.8 Ų28.80%016%0.157CC..  trans-101.837.2171.2-59.60000111M40 L57 D59 K64 L65 E68V35-M40 HydrophobicContact CB-CG 4.26Å; V35-M40 HydrophobicContact CB-SD 3.78Å; V35-M40 HydrophobicContact CG1-SD 3.98Å; V35-L57 HydrophobicContact CG1-CB 3.98Å; V35-L57 HydrophobicContact CG1-CD1 4.19Å; V35-L57 HydrophobicContact CG1-CG 4.5Å; V35-D59 HydrophobicContact CB-CB 4.46Å; V35-D59 HydrophobicContact CG1-CB 4.31Å; V35-D59 HydrophobicContact CG2-CB 3.69Å; V35-D59 PolarHBondContact N-OD2 3.02Å; V35-K64 HydrophobicContact CG2-CD 4.18Å; V35-K64 HydrophobicContact CG2-CG 4.18Å; V35-K64 VanDerWaalsContact O-CE 3.26Å; V35-K64 WeakPolarHBondContact O-CE 3.34Å; V35-K64 PolarHBondContact O-NZ 3.01Å; V35-L65 HydrophobicContact CG1-CD1 3.55Å; V35-L65 HydrophobicContact CG2-CD1 4.29Å; V35-E68 HydrophobicContact CB-CG 4.27Å; V35-E68 HydrophobicContact CG2-CG 4.26Å
36G97.1Very high95.8Very high25 Ų2524.1 Ų24.126%0.25813%0.128SC..SBendtrans-71.3-176.616800000112.1G34 V38 G39 M40G34-G36 VanDerWaalsContact C-N 3.33Å; G36-V38 PolarHBondContact O-N 2.85Å; G36-G39 PolarHBondContact O-N 3.28Å; G36-G39 VanDerWaalsContact O-N 3.17Å; G36-M40 PolarHBondContact O-N 2.82Å
37Q97.4Very high97.1Very high80 Ų8022.9 Ų22.937%0.37412%0.12SC..Hα-helixtrans-55.6-38.6178-64.2-64.8-13.600113A41 F254 S256Q37-A41 WeakPolarHBondContact O-CB 3.32Å; Q37-A41 PolarHBondContact O-N 3.5Å; Q37-F254 HydrophobicContact CB-CD2 3.52Å; Q37-F254 HydrophobicContact CB-CE2 3.73Å; Q37-F254 HydrophobicContact CB-CG 4.18Å; Q37-F254 HydrophobicContact CG-CD1 4.19Å; Q37-F254 HydrophobicContact CG-CD2 3.56Å; Q37-F254 HydrophobicContact CG-CE1 4.22Å; Q37-F254 HydrophobicContact CG-CE2 3.57Å; Q37-F254 HydrophobicContact CG-CG 3.87Å; Q37-F254 HydrophobicContact CG-CZ 3.92Å; Q37-S256 WeakPolarHBondContact O-CB 3.42Å
38V98Very high98Very high34 Ų3418 Ų1821%0.20610%0.102CC..Hα-helixtrans-70.8-49.8176.2176.10000110.9G36 M40 A41 C42 T102 I143 T255 I259G36-V38 PolarHBondContact O-N 2.85Å; V38-M40 VanDerWaalsContact C-N 3.34Å; V38-M40 PolarHBondContact O-N 2.98Å; V38-A41 PolarHBondContact O-N 3.34Å; V38-C42 PolarHBondContact O-N 2.97Å; V38-C42 PolarHBondContact O-SG 2.91Å; V38-T102 HydrophobicContact CG1-CG2 4.02Å; V38-I143 HydrophobicContact CG1-CG2 3.83Å; V38-T255 WeakPolarHBondContact CG2-O 3.37Å; V38-I259 HydrophobicContact CG1-CG1 4.28Å; V38-I259 HydrophobicContact CG1-CG2 3.93Å; V38-I259 HydrophobicContact CG2-CG2 4.13Å
39G98.5Very high98.2Very high1 Ų120.3 Ų20.31%0.0111%0.109CC..Hα-helixtrans-56.4-45.7179.700000113.2G34 G36 C42 A43 T102G34-G39 WeakPolarHBondContact O-CA 3.43Å; G36-G39 PolarHBondContact O-N 3.28Å; G36-G39 VanDerWaalsContact O-N 3.17Å; G39-C42 WeakPolarHBondContact O-CB 3.44Å; G39-C42 PolarHBondContact O-N 3.01Å; G39-A43 WeakPolarHBondContact O-CB 3.22Å; G39-A43 PolarHBondContact O-N 3.19Å; G39-T102 WeakPolarHBondContact CA-OG1 3.26Å
40M98.7Very high98.1Very high22 Ų2223 Ų2311%0.10812%0.121CC..Hα-helixtrans-70.3-36.2178-65.3-49.5-59.200112.9V35 G36 V38 C42 A43 F44 L57 E68 L72V35-M40 HydrophobicContact CB-CG 4.26Å; V35-M40 HydrophobicContact CB-SD 3.78Å; V35-M40 HydrophobicContact CG1-SD 3.98Å; G36-M40 PolarHBondContact O-N 2.82Å; V38-M40 VanDerWaalsContact C-N 3.34Å; V38-M40 PolarHBondContact O-N 2.98Å; M40-C42 VanDerWaalsContact C-N 3.31Å; M40-C42 PolarHBondContact O-N 3.3Å; M40-A43 PolarHBondContact O-N 3.13Å; M40-F44 VanDerWaalsContact O-CB 3.27Å; M40-F44 WeakPolarHBondContact O-CB 3.47Å; M40-F44 PolarHBondContact O-N 3.22Å; M40-L57 HydrophobicContact SD-CD1 4.38Å; M40-E68 HydrophobicContact CE-CB 3.77Å; M40-E68 HydrophobicContact CE-CG 4.32Å; M40-E68 VanDerWaalsContact CE-OE2 3.27Å; M40-E68 WeakPolarHBondContact CE-OE2 3.49Å; M40-E68 HydrophobicContact CG-CG 4.27Å; M40-E68 HydrophobicContact SD-CB 3.77Å; M40-E68 HydrophobicContact SD-CG 4Å; M40-L72 HydrophobicContact CE-CD1 3.62Å; M40-L72 HydrophobicContact CE-CD2 4.36Å; M40-L72 HydrophobicContact CE-CG 3.91Å
41A98.7Very high98Very high1 Ų123.4 Ų23.41%0.00812%0.124CC..Hα-helixtrans-63.7-37.7172.100000112.2Q37 V38 S45 S256 W257Q37-A41 WeakPolarHBondContact O-CB 3.32Å; Q37-A41 PolarHBondContact O-N 3.5Å; V38-A41 PolarHBondContact O-N 3.34Å; A41-S45 VanDerWaalsContact O-CB 3.23Å; A41-S45 WeakPolarHBondContact O-CB 3.26Å; A41-S45 PolarHBondContact O-N 3.03Å; A41-S45 PolarHBondContact O-OG 2.94Å; A41-S256 VanDerWaalsContact CB-O 3.31Å; A41-S256 WeakPolarHBondContact CB-O 3.46Å; A41-W257 HydrophobicContact CB-CE3 3.94Å; A41-W257 HydrophobicContact CB-CZ3 4.21Å
42C98.8Very high97.9Very high0 Ų023.8 Ų23.80%013%0.127CC..Hα-helixtrans-64-49.7171.9-64.90000111I32 V38 G39 M40 F44 S45 I46 V263I32-C42 HydrophobicContact CD1-CB 4.32Å; V38-C42 PolarHBondContact O-N 2.97Å; V38-C42 PolarHBondContact O-SG 2.91Å; G39-C42 WeakPolarHBondContact O-CB 3.44Å; G39-C42 PolarHBondContact O-N 3.01Å; M40-C42 VanDerWaalsContact C-N 3.31Å; M40-C42 PolarHBondContact O-N 3.3Å; C42-F44 PolarHBondContact O-N 2.71Å; C42-S45 PolarHBondContact O-N 3.32Å; C42-I46 WeakPolarHBondContact O-CB 3.46Å; C42-I46 VanDerWaalsContact O-CG1 3.27Å; C42-I46 WeakPolarHBondContact O-CG1 3.22Å; C42-I46 PolarHBondContact O-N 3.35Å; C42-V263 HydrophobicContact CB-CG1 4.2Å
43A98.7Very high97.7Very high0 Ų025.9 Ų25.90%014%0.142CC..Hα-helixtrans-58.3-50.4-178.700000111.5I32 G39 M40 I46 L47 L57 L72I32-A43 HydrophobicContact CD1-CB 3.43Å; I32-A43 VanDerWaalsContact CD1-CB 3.43Å; G39-A43 WeakPolarHBondContact O-CB 3.22Å; G39-A43 PolarHBondContact O-N 3.19Å; M40-A43 PolarHBondContact O-N 3.13Å; A43-I46 PolarHBondContact O-N 3.13Å; A43-L47 WeakPolarHBondContact O-CB 3.49Å; A43-L47 PolarHBondContact O-N 2.88Å; A43-L57 HydrophobicContact CB-CD2 4.06Å; A43-L72 HydrophobicContact CB-CD1 4.15Å
44F98.6Very high97.6Very high108 Ų10826 Ų2647%0.47414%0.142SC..Hα-helixtrans-62-45.8178.5-169.7-100.4000111.5M40 C42 I46 L47 V48 L72M40-F44 VanDerWaalsContact O-CB 3.27Å; M40-F44 WeakPolarHBondContact O-CB 3.47Å; M40-F44 PolarHBondContact O-N 3.22Å; C42-F44 PolarHBondContact O-N 2.71Å; F44-I46 PolarHBondContact O-N 3.44Å; F44-L47 PolarHBondContact O-N 3.31Å; F44-V48 HydrophobicContact CD1-CG1 4.17Å; F44-V48 HydrophobicContact CD2-CG1 4.46Å; F44-V48 HydrophobicContact CE1-CG1 3.79Å; F44-V48 HydrophobicContact CE2-CG1 4.1Å; F44-V48 HydrophobicContact CG-CG1 4.49Å; F44-V48 HydrophobicContact CZ-CG1 3.75Å; F44-V48 WeakPolarHBondContact O-CG1 3.41Å; F44-V48 WeakPolarHBondContact O-CG2 3.3Å; F44-V48 PolarHBondContact O-N 3.36Å; F44-L72 HydrophobicContact CD2-CD2 4.05Å
45S98.6Very high97.6Very high7 Ų725.9 Ų25.95%0.04914%0.141CC..Hα-helixtrans-62.4-40.6179-59.50000112.5A41 C42 Q49 G260A41-S45 VanDerWaalsContact O-CB 3.23Å; A41-S45 WeakPolarHBondContact O-CB 3.26Å; A41-S45 PolarHBondContact O-N 3.03Å; A41-S45 PolarHBondContact O-OG 2.94Å; C42-S45 PolarHBondContact O-N 3.32Å; S45-Q49 VanDerWaalsContact O-CB 3.29Å; S45-Q49 WeakPolarHBondContact O-CB 3.27Å; S45-Q49 VanDerWaalsContact O-CG 3.23Å; S45-Q49 WeakPolarHBondContact O-CG 3.24Å; S45-Q49 PolarHBondContact O-N 3.42Å; S45-Q49 VanDerWaalsContact O-N 3.12Å; S45-G260 WeakPolarHBondContact CB-O 3.31Å
46I98.4Very high97.6Very high0 Ų025.9 Ų25.90%014%0.141CC..Hα-helixtrans-65.8-40.7176.7-73167.6000111I30 I32 C42 A43 F44 H50 T51 A52 I55 A264I30-I46 HydrophobicContact CD1-CD1 4.41Å; I30-I46 HydrophobicContact CD1-CG2 4.08Å; I30-I46 HydrophobicContact CG2-CD1 4.18Å; I32-I46 HydrophobicContact CD1-CD1 4.22Å; C42-I46 WeakPolarHBondContact O-CB 3.46Å; C42-I46 VanDerWaalsContact O-CG1 3.27Å; C42-I46 WeakPolarHBondContact O-CG1 3.22Å; C42-I46 PolarHBondContact O-N 3.35Å; A43-I46 PolarHBondContact O-N 3.13Å; F44-I46 PolarHBondContact O-N 3.44Å; I46-H50 PolarHBondContact O-N 3.47Å; I46-T51 PolarHBondContact O-N 3.11Å; I46-A52 HydrophobicContact CG2-CB 3.84Å; I46-I55 HydrophobicContact CB-CD1 4.38Å; I46-I55 HydrophobicContact CG2-CD1 3.82Å; I46-I55 HydrophobicContact CG2-CG1 4.13Å; I46-A264 HydrophobicContact CG1-CB 4Å
47L98Very high97.7Very high6 Ų624.7 Ų24.73%0.03113%0.128CC..Hα-helixtrans-64.3-52.7179-17862.6000111.8A43 F44 Q49 H50 I55 L72 L76 V79 C82 I84A43-L47 WeakPolarHBondContact O-CB 3.49Å; A43-L47 PolarHBondContact O-N 2.88Å; F44-L47 PolarHBondContact O-N 3.31Å; L47-Q49 VanDerWaalsContact C-N 3.33Å; L47-Q49 PolarHBondContact O-N 3.27Å; L47-H50 PolarHBondContact O-N 3.24Å; L47-H50 VanDerWaalsContact O-N 3.09Å; L47-H50 PolarHBondContact O-ND1 3.11Å; L47-H50 VanDerWaalsContact O-ND1 3.16Å; L47-I55 HydrophobicContact CB-CD1 3.81Å; L47-I55 HydrophobicContact CD1-CD1 4.17Å; L47-L72 HydrophobicContact CD2-CD2 4.12Å; L47-L76 HydrophobicContact CD1-CD2 4.35Å; L47-V79 HydrophobicContact CD1-CG2 3.87Å; L47-V79 HydrophobicContact CD2-CG2 4.42Å; L47-V79 HydrophobicContact CG-CG1 4.39Å; L47-V79 HydrophobicContact CG-CG2 4.05Å; L47-C82 HydrophobicContact CD1-CB 3.66Å; L47-I84 HydrophobicContact CD1-CD1 4.12Å; L47-I84 HydrophobicContact CD2-CD1 3.92Å
48V97.5Very high97.7Very high58 Ų5820.9 Ų20.935%0.35211%0.111SC..Hα-helixtrans-71.9-25.6-176.1-57.50000113.2F44 H50 V79F44-V48 HydrophobicContact CD1-CG1 4.17Å; F44-V48 HydrophobicContact CD2-CG1 4.46Å; F44-V48 HydrophobicContact CE1-CG1 3.79Å; F44-V48 HydrophobicContact CE2-CG1 4.1Å; F44-V48 HydrophobicContact CG-CG1 4.49Å; F44-V48 HydrophobicContact CZ-CG1 3.75Å; F44-V48 WeakPolarHBondContact O-CG1 3.41Å; F44-V48 WeakPolarHBondContact O-CG2 3.3Å; F44-V48 PolarHBondContact O-N 3.36Å; V48-H50 VanDerWaalsContact C-N 3.29Å; V48-H50 PolarHBondContact O-CE1 3.35Å; V48-V79 HydrophobicContact CG1-CG1 4.42Å
49Q96.5Very high97.7Very high68 Ų6820.7 Ų20.732%0.31811%0.108SC..THydrogen-bonded Turntrans-85.5-2.7172.6-65.6178.82500113S45 L47 T51S45-Q49 VanDerWaalsContact O-CB 3.29Å; S45-Q49 WeakPolarHBondContact O-CB 3.27Å; S45-Q49 VanDerWaalsContact O-CG 3.23Å; S45-Q49 WeakPolarHBondContact O-CG 3.24Å; S45-Q49 PolarHBondContact O-N 3.42Å; S45-Q49 VanDerWaalsContact O-N 3.12Å; L47-Q49 VanDerWaalsContact C-N 3.33Å; L47-Q49 PolarHBondContact O-N 3.27Å; Q49-T51 VanDerWaalsContact C-N 3.29Å; Q49-T51 PolarHBondContact O-N 2.9Å
50H95.6Very high97.6Very high66 Ų6628.3 Ų28.331%0.30615%0.147SC..THydrogen-bonded Turntrans57.441.2178.9-42.5-50.2000112.8I46 L47 V48 K80I46-H50 PolarHBondContact O-N 3.47Å; L47-H50 PolarHBondContact O-N 3.24Å; L47-H50 VanDerWaalsContact O-N 3.09Å; L47-H50 PolarHBondContact O-ND1 3.11Å; L47-H50 VanDerWaalsContact O-ND1 3.16Å; V48-H50 VanDerWaalsContact C-N 3.29Å; V48-H50 PolarHBondContact O-CE1 3.35Å; H50-K80 HydrophobicContact CB-CB 4.18Å; H50-K80 HydrophobicContact CB-CD 3.86Å; H50-K80 HydrophobicContact CB-CG 4.34Å; H50-K80 VanDerWaalsContact CD2-CD 3.41Å; H50-K80 WeakPolarHBondContact CD2-CD 3.39Å; H50-K80 WeakPolarHBondContact CD2-CE 3.29Å; H50-K80 PolarHBondContact CE1-N 3.17Å; H50-K80 VanDerWaalsContact CE1-N 3.3Å; H50-K80 WeakPolarHBondContact ND1-CB 3.48Å; H50-K80 PolarHBondContact ND1-N 2.72Å
51T96.1Very high97.5Very high9 Ų929.3 Ų29.36%0.05516%0.159CC..  trans-79.8-25.6-176.9-61.20000112.1I30 I46 Q49 C267 N268 M271I30-T51 HydrophobicContact CD1-CG2 4.04Å; I46-T51 PolarHBondContact O-N 3.11Å; Q49-T51 VanDerWaalsContact C-N 3.29Å; Q49-T51 PolarHBondContact O-N 2.9Å; T51-C267 HydrophobicContact CG2-CB 3.8Å; T51-N268 HydrophobicContact CG2-CB 4.07Å; T51-M271 HydrophobicContact CG2-CB 4.5Å; T51-M271 HydrophobicContact CG2-CG 4.1Å
52A96.6Very high97.5Very high8 Ų835.9 Ų35.97%0.06619%0.189CC..  trans-128147.2-177.600000112.1A28 I30 I46 I55 C82A28-A52 CarbonylContact O-C 3.5Å; A28-A52 WeakPolarHBondContact O-CA 3.36Å; A28-A52 WeakPolarHBondContact O-CB 3.38Å; I30-A52 HydrophobicContact CB-CB 4.22Å; I30-A52 HydrophobicContact CD1-CB 3.97Å; I30-A52 HydrophobicContact CG1-CB 3.93Å; I46-A52 HydrophobicContact CG2-CB 3.84Å; A52-I55 HydrophobicContact CB-CG1 3.97Å; A52-C82 PolarHBondContact O-SG 2.69Å; A52-C82 VanDerWaalsContact O-SG 3.41Å
53S94.9Very high97.5Very high44 Ų4442.7 Ų42.731%0.30823%0.226SC..SBendtrans-91.2-18.6169.669.40000112.4A28 C82 T83A28-S53 PolarHBondContact N-OG 2.96Å; A28-S53 VanDerWaalsContact N-OG 3.14Å; A28-S53 PolarHBondContact O-N 2.71Å; A28-S53 PolarHBondContact O-OG 3.16Å; S53-C82 WeakPolarHBondContact O-CA 3.33Å; S53-T83 PolarHBondContact O-N 2.99Å
54E96.7Very high97.4Very high6 Ų646.9 Ų46.93%0.02824%0.244CC..EExtended strand (participates in β ladder)trans-139.4127.5170.4-178.6169.2122.300109.4P26 A28 K29 I30 T83 K85P26-E54 HydrophobicContact CB-CB 3.58Å; P26-E54 HydrophobicContact CB-CG 4.45Å; P26-E54 HydrophobicContact CG-CB 4.01Å; P26-E54 HydrophobicContact CG-CG 4.42Å; A28-E54 PolarHBondContact O-N 3.39Å; K29-E54 CarbonylContact C-O 3.59Å; K29-E54 WeakPolarHBondContact CA-O 3.3Å; K29-E54 HydrophobicContact CB-CB 4.23Å; K29-E54 HydrophobicContact CD-CG 4.42Å; K29-E54 WeakPolarHBondContact CD-OE1 3.12Å; K29-E54 WeakPolarHBondContact CE-OE1 3.48Å; K29-E54 HydrophobicContact CG-CB 4.17Å; K29-E54 HydrophobicContact CG-CG 4.17Å; K29-E54 IonicContact NZ-OE1 2.84Å; K29-E54 PolarHBondContact NZ-OE1 2.94Å; I30-E54 PolarHBondContact N-O 3.25Å; E54-T83 CarbonylContact C-O 3.56Å; E54-T83 VanDerWaalsContact CA-O 3.23Å; E54-T83 WeakPolarHBondContact CA-O 3.5Å; E54-T83 HydrophobicContact CG-CG2 4.33Å; E54-K85 IonicContact OE1-NZ 2.74Å; E54-K85 IonicContact OE2-NZ 3.94Å; E54-K85 PolarHBondContact OE2-NZ 3.05Å
55I98.2Very high97.4Very high0 Ų042 Ų420%022%0.223CC..EExtended strand (participates in β ladder)trans-109.4128.3170.8-63172.8000108.1I30 I32 I46 L47 A52 L57 T83 I84 K85I30-I55 WeakPolarHBondContact O-CA 3.28Å; I32-I55 HydrophobicContact CD1-CG2 4.26Å; I46-I55 HydrophobicContact CB-CD1 4.38Å; I46-I55 HydrophobicContact CG2-CD1 3.82Å; I46-I55 HydrophobicContact CG2-CG1 4.13Å; L47-I55 HydrophobicContact CB-CD1 3.81Å; L47-I55 HydrophobicContact CD1-CD1 4.17Å; A52-I55 HydrophobicContact CB-CG1 3.97Å; I55-L57 HydrophobicContact CG2-CD2 3.88Å; I55-T83 PolarHBondContact N-O 3.32Å; I55-I84 WeakPolarHBondContact O-CA 3.31Å; I55-K85 PolarHBondContact O-N 3.28Å
56C98.1Very high97.4Very high0 Ų049.4 Ų49.40%025%0.25CC..EExtended strand (participates in β ladder)trans-119.9122.6-179.9174.40000110.3I30 T31 I32 K85 V92I30-C56 PolarHBondContact O-N 3.37Å; T31-C56 CarbonylContact C-O 3.56Å; T31-C56 WeakPolarHBondContact CA-O 3.22Å; T31-C56 WeakPolarHBondContact OG1-CB 3.4Å; I32-C56 PolarHBondContact N-O 2.89Å; C56-K85 CarbonylContact C-O 3.6Å; C56-K85 WeakPolarHBondContact CA-O 3.49Å; C56-V92 WeakPolarHBondContact SG-CG1 3.36Å; C56-V92 PolarHBondContact SG-O 2.98Å; C56-V92 VanDerWaalsContact SG-O 3.35Å
57L98.8Very high97.4Very high0 Ų051.2 Ų51.20%027%0.269CS..EExtended strand (participates in β ladder)trans-103.1133.3-178.4-52.8-179.5000110.7I32 V35 M40 A43 I55 L65 L72 K85 A86 S87I32-L57 HydrophobicContact CB-CD2 4.04Å; I32-L57 HydrophobicContact CD1-CD2 4.29Å; V35-L57 HydrophobicContact CG1-CB 3.98Å; V35-L57 HydrophobicContact CG1-CD1 4.19Å; V35-L57 HydrophobicContact CG1-CG 4.5Å; M40-L57 HydrophobicContact SD-CD1 4.38Å; A43-L57 HydrophobicContact CB-CD2 4.06Å; I55-L57 HydrophobicContact CG2-CD2 3.88Å; L57-L65 HydrophobicContact CB-CD1 3.69Å; L57-L72 HydrophobicContact CD1-CD1 4.07Å; L57-K85 PolarHBondContact N-O 3.19Å; L57-A86 HydrophobicContact CB-CB 3.9Å; L57-A86 VanDerWaalsContact O-CA 3.23Å; L57-A86 WeakPolarHBondContact O-CA 3.15Å; L57-S87 PolarHBondContact O-N 2.78Å; L57-S87 VanDerWaalsContact O-N 3.13Å
58I98.6Very high97.5Very high1 Ų153.3 Ų53.31%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-123.3129.7173.7-62.2-63.2000109.1T31 I32 V33 G34 S87 Y90 V92 T93T31-I58 HydrophobicContact CG2-CG1 4.2Å; I32-I58 PolarHBondContact O-N 3.45Å; V33-I58 HydrophobicContact CG1-CB 4.16Å; V33-I58 HydrophobicContact CG1-CG2 4Å; V33-I58 HydrophobicContact CG2-CB 4.32Å; G34-I58 PolarHBondContact N-O 3.4Å; I58-S87 WeakPolarHBondContact CD1-O 3.4Å; I58-Y90 HydrophobicContact CG2-CD1 4.48Å; I58-Y90 HydrophobicContact CG2-CD2 4.37Å; I58-Y90 HydrophobicContact CG2-CE1 4.02Å; I58-Y90 HydrophobicContact CG2-CE2 3.89Å; I58-V92 HydrophobicContact CD1-CG1 3.39Å; I58-T93 HydrophobicContact CD1-CG2 3.61Å; I58-T93 HydrophobicContact CG1-CG2 3.4Å; I58-T93 VanDerWaalsContact CG1-CG2 3.4Å
59D98.2Very high97.5Very high30 Ų3052.1 Ų52.116%0.1627%0.269CS..  trans-153.3165.5167.4-156.8-70.3000109.1G34 V35 A61 L65 T88G34-D59 VanDerWaalsContact CA-OD2 3.3Å; G34-D59 WeakPolarHBondContact CA-OD2 3.42Å; V35-D59 HydrophobicContact CB-CB 4.46Å; V35-D59 HydrophobicContact CG1-CB 4.31Å; V35-D59 HydrophobicContact CG2-CB 3.69Å; V35-D59 PolarHBondContact N-OD2 3.02Å; D59-A61 PolarHBondContact OD1-N 3.37Å; D59-L65 HydrophobicContact CB-CB 4.32Å; D59-L65 HydrophobicContact CB-CD1 4.04Å; D59-L65 HydrophobicContact CB-CD2 4.43Å; D59-T88 WeakPolarHBondContact O-CA 3.37Å; D59-T88 WeakPolarHBondContact O-CG2 3.39Å
60I96.4Very high97.6Very high161 Ų16152.3 Ų52.383%0.82627%0.271SS*.SBendtrans-87.2-22.3174.860172.7000112.1E62I60-E62 PolarHBondContact O-N 3.48Å; I60-E62 VanDerWaalsContact O-N 3.13Å
61A96.6Very high97.7Very high43 Ų4354.7 Ų54.736%0.35529%0.286SS..  trans-82.385.7179.400000110.6D59 D63 K64 L65D59-A61 PolarHBondContact OD1-N 3.37Å; A61-D63 PolarHBondContact O-N 2.77Å; A61-K64 HydrophobicContact CB-CB 4Å; A61-K64 PolarHBondContact O-N 3.04Å; A61-L65 VanDerWaalsContact O-CB 3.3Å; A61-L65 WeakPolarHBondContact O-CB 3.38Å; A61-L65 PolarHBondContact O-N 3.45Å
62E97.5Very high97.8Very high138 Ų13855 Ų5565%0.64529%0.287SS*.Hα-helixtrans-51.4-51.5-171.8-173.7173.617900114I60 K64 L65 R66 T88I60-E62 PolarHBondContact O-N 3.48Å; I60-E62 VanDerWaalsContact O-N 3.13Å; E62-K64 PolarHBondContact O-N 2.96Å; E62-L65 WeakPolarHBondContact O-CB 3.32Å; E62-L65 PolarHBondContact O-N 3.2Å; E62-R66 WeakPolarHBondContact O-CB 3.43Å; E62-R66 PolarHBondContact O-N 3.08Å; E62-T88 HydrophobicContact CB-CG2 4.05Å; E62-T88 HydrophobicContact CG-CG2 4.34Å
63D98.2Very high97.9Very high143 Ų14357.8 Ų57.877%0.76530%0.299SS*.Hα-helixtrans-62.6-44.6-179-72.1-20000112A61 R66 G67A61-D63 PolarHBondContact O-N 2.77Å; D63-R66 PolarHBondContact O-N 3.29Å; D63-G67 PolarHBondContact O-N 2.93Å
64K98.4Very high98.1Very high88 Ų8862.1 Ų62.138%0.38331%0.314SS..Hα-helixtrans-62.4-47.6177.2-173.5-178.9-176.9-165.50110.2V35 A61 E62 R66 G67 E68V35-K64 HydrophobicContact CG2-CD 4.18Å; V35-K64 HydrophobicContact CG2-CG 4.18Å; V35-K64 VanDerWaalsContact O-CE 3.26Å; V35-K64 WeakPolarHBondContact O-CE 3.34Å; V35-K64 PolarHBondContact O-NZ 3.01Å; A61-K64 HydrophobicContact CB-CB 4Å; A61-K64 PolarHBondContact O-N 3.04Å; E62-K64 PolarHBondContact O-N 2.96Å; K64-R66 VanDerWaalsContact C-N 3.31Å; K64-R66 PolarHBondContact O-N 2.91Å; K64-G67 PolarHBondContact O-N 3.11Å; K64-E68 VanDerWaalsContact CE-OE1 3.25Å; K64-E68 WeakPolarHBondContact CE-OE1 3.43Å; K64-E68 HydrophobicContact CG-CG 4.1Å; K64-E68 IonicContact NZ-OE1 3.25Å; K64-E68 WeakPolarHBondContact O-CG 3.48Å; K64-E68 PolarHBondContact O-N 3.47Å
65L98.6Very high98.1Very high5 Ų562.9 Ų62.93%0.02632%0.324CS..Hα-helixtrans-57.1-44.7179.1-179.263000111.9V35 L57 D59 A61 E62 M69 A86 S87 T88V35-L65 HydrophobicContact CG1-CD1 3.55Å; V35-L65 HydrophobicContact CG2-CD1 4.29Å; L57-L65 HydrophobicContact CB-CD1 3.69Å; D59-L65 HydrophobicContact CB-CB 4.32Å; D59-L65 HydrophobicContact CB-CD1 4.04Å; D59-L65 HydrophobicContact CB-CD2 4.43Å; A61-L65 VanDerWaalsContact O-CB 3.3Å; A61-L65 WeakPolarHBondContact O-CB 3.38Å; A61-L65 PolarHBondContact O-N 3.45Å; E62-L65 WeakPolarHBondContact O-CB 3.32Å; E62-L65 PolarHBondContact O-N 3.2Å; L65-M69 WeakPolarHBondContact O-CB 3.38Å; L65-M69 PolarHBondContact O-N 2.91Å; L65-A86 HydrophobicContact CD1-CB 3.73Å; L65-A86 HydrophobicContact CD2-CB 4.28Å; L65-A86 HydrophobicContact CG-CB 3.74Å; L65-S87 VanDerWaalsContact CD2-O 3.32Å; L65-S87 WeakPolarHBondContact CD2-O 3.32Å; L65-T88 HydrophobicContact CD2-CG2 4.27Å
66R98.3Very high98Very high164 Ų16465.3 Ų65.362%0.61934%0.336SS*.Hα-helixtrans-64.2-44.8176-178.8176.9174145.8-0.3111.7E62 D63 K64 M69 M70E62-R66 WeakPolarHBondContact O-CB 3.43Å; E62-R66 PolarHBondContact O-N 3.08Å; D63-R66 PolarHBondContact O-N 3.29Å; K64-R66 VanDerWaalsContact C-N 3.31Å; K64-R66 PolarHBondContact O-N 2.91Å; R66-M69 PolarHBondContact O-N 3.25Å; R66-M70 HydrophobicContact CG-CG 4.47Å; R66-M70 HydrophobicContact CG-SD 3.91Å; R66-M70 VanDerWaalsContact O-CG 3.28Å; R66-M70 WeakPolarHBondContact O-CG 3.36Å; R66-M70 PolarHBondContact O-N 3.26Å
67G98.5Very high97.9Very high38 Ų3870.4 Ų70.439%0.39237%0.369SS..Hα-helixtrans-59-50.3177.500000112.4D63 K64 M69 M70 D71D63-G67 PolarHBondContact O-N 2.93Å; K64-G67 PolarHBondContact O-N 3.11Å; G67-M69 VanDerWaalsContact C-N 3.34Å; G67-M69 PolarHBondContact O-N 3.05Å; G67-M70 PolarHBondContact O-N 2.99Å; G67-D71 PolarHBondContact O-N 2.88Å
68E98.6Very high97.8Very high49 Ų4978.8 Ų78.823%0.22941%0.406CS..Hα-helixtrans-62.8-38.8179-63-76.7-168.800112V35 M40 K64 L72V35-E68 HydrophobicContact CB-CG 4.27Å; V35-E68 HydrophobicContact CG2-CG 4.26Å; M40-E68 HydrophobicContact CE-CB 3.77Å; M40-E68 HydrophobicContact CE-CG 4.32Å; M40-E68 VanDerWaalsContact CE-OE2 3.27Å; M40-E68 WeakPolarHBondContact CE-OE2 3.49Å; M40-E68 HydrophobicContact CG-CG 4.27Å; M40-E68 HydrophobicContact SD-CB 3.77Å; M40-E68 HydrophobicContact SD-CG 4Å; K64-E68 VanDerWaalsContact CE-OE1 3.25Å; K64-E68 WeakPolarHBondContact CE-OE1 3.43Å; K64-E68 HydrophobicContact CG-CG 4.1Å; K64-E68 IonicContact NZ-OE1 3.25Å; K64-E68 WeakPolarHBondContact O-CG 3.48Å; K64-E68 PolarHBondContact O-N 3.47Å; E68-L72 WeakPolarHBondContact O-CG 3.27Å; E68-L72 PolarHBondContact O-N 3.31Å
69M98.5Very high97.7Very high34 Ų3480.4 Ų80.417%0.16742%0.416CS..Hα-helixtrans-62.8-48.7174.2-177.8-169.565.900111.6L65 R66 G67 D71 L72 Q73 I84 A86L65-M69 WeakPolarHBondContact O-CB 3.38Å; L65-M69 PolarHBondContact O-N 2.91Å; R66-M69 PolarHBondContact O-N 3.25Å; G67-M69 VanDerWaalsContact C-N 3.34Å; G67-M69 PolarHBondContact O-N 3.05Å; M69-D71 VanDerWaalsContact C-N 3.34Å; M69-D71 PolarHBondContact O-N 3.17Å; M69-L72 PolarHBondContact O-N 2.61Å; M69-Q73 HydrophobicContact CG-CG 4.37Å; M69-Q73 WeakPolarHBondContact O-CB 3.44Å; M69-Q73 VanDerWaalsContact O-CG 3.27Å; M69-Q73 WeakPolarHBondContact O-CG 3.46Å; M69-Q73 PolarHBondContact O-N 2.94Å; M69-I84 HydrophobicContact CG-CG2 4.19Å; M69-A86 HydrophobicContact CB-CB 3.69Å; M69-A86 HydrophobicContact CG-CB 3.82Å; M69-A86 HydrophobicContact SD-CB 3.55Å; M69-A86 VanDerWaalsContact SD-CB 3.55Å; M69-A86 PolarHBondContact SD-N 3.33Å
70M98.5Very high97.4Very high71 Ų7185.4 Ų85.435%0.3544%0.436SS..Hα-helixtrans-62.5-42.1-178.8-73.3174.559.700111.4R66 G67 Q73 H74R66-M70 HydrophobicContact CG-CG 4.47Å; R66-M70 HydrophobicContact CG-SD 3.91Å; R66-M70 VanDerWaalsContact O-CG 3.28Å; R66-M70 WeakPolarHBondContact O-CG 3.36Å; R66-M70 PolarHBondContact O-N 3.26Å; G67-M70 PolarHBondContact O-N 2.99Å; M70-Q73 PolarHBondContact O-N 3.13Å; M70-H74 PolarHBondContact O-CD2 2.86Å; M70-H74 VanDerWaalsContact O-CG 3.29Å; M70-H74 PolarHBondContact O-N 2.86Å
71D98.5Very high97.2Very high117 Ų11783.5 Ų83.563%0.62644%0.437SS*.Hα-helixtrans-61.8-46.5178.8-162.817.1000111.4G67 M69 Q73 H74 G75G67-D71 PolarHBondContact O-N 2.88Å; M69-D71 VanDerWaalsContact C-N 3.34Å; M69-D71 PolarHBondContact O-N 3.17Å; D71-Q73 PolarHBondContact O-N 3.11Å; D71-H74 PolarHBondContact O-N 3.26Å; D71-G75 PolarHBondContact O-N 3.38Å
72L98.2Very high97Very high14 Ų1481.8 Ų81.87%0.07342%0.423CS..Hα-helixtrans-64-38.7174-70.3178.4000113M40 A43 F44 L47 L57 E68 M69 G75 I84M40-L72 HydrophobicContact CE-CD1 3.62Å; M40-L72 HydrophobicContact CE-CD2 4.36Å; M40-L72 HydrophobicContact CE-CG 3.91Å; A43-L72 HydrophobicContact CB-CD1 4.15Å; F44-L72 HydrophobicContact CD2-CD2 4.05Å; L47-L72 HydrophobicContact CD2-CD2 4.12Å; L57-L72 HydrophobicContact CD1-CD1 4.07Å; E68-L72 WeakPolarHBondContact O-CG 3.27Å; E68-L72 PolarHBondContact O-N 3.31Å; M69-L72 PolarHBondContact O-N 2.61Å; L72-G75 PolarHBondContact O-N 3.49Å; L72-G75 VanDerWaalsContact O-N 3.13Å; L72-I84 HydrophobicContact CB-CD1 3.61Å; L72-I84 HydrophobicContact CB-CG2 4.38Å; L72-I84 HydrophobicContact CD1-CD1 4.46Å; L72-I84 HydrophobicContact CD1-CG2 4.47Å
73Q98.1Very high96.9Very high68 Ų6878.3 Ų78.332%0.31841%0.411SS..Hα-helixtrans-63.9-39.8178.4-79.3175.7-1700112.1M69 M70 D71 G75 L76 I84M69-Q73 HydrophobicContact CG-CG 4.37Å; M69-Q73 WeakPolarHBondContact O-CB 3.44Å; M69-Q73 VanDerWaalsContact O-CG 3.27Å; M69-Q73 WeakPolarHBondContact O-CG 3.46Å; M69-Q73 PolarHBondContact O-N 2.94Å; M70-Q73 PolarHBondContact O-N 3.13Å; D71-Q73 PolarHBondContact O-N 3.11Å; Q73-G75 PolarHBondContact O-N 3.08Å; Q73-L76 HydrophobicContact CB-CD1 4.4Å; Q73-L76 HydrophobicContact CG-CD1 4.37Å; Q73-L76 VanDerWaalsContact O-CB 3.29Å; Q73-L76 WeakPolarHBondContact O-CB 3.27Å; Q73-L76 VanDerWaalsContact O-CG 3.3Å; Q73-L76 WeakPolarHBondContact O-CG 3.37Å; Q73-L76 PolarHBondContact O-N 3.47Å; Q73-L76 VanDerWaalsContact O-N 3.08Å; Q73-I84 HydrophobicContact CG-CB 4Å; Q73-I84 HydrophobicContact CG-CG2 4.42Å; Q73-I84 PolarHBondContact NE2-O 3.27Å
74H97.8Very high96.9Very high134 Ų13471.7 Ų71.762%0.6238%0.376SS*.Hα-helixtrans-64.1-22.5175.1-67.1173.5000112.5M70 D71 P77M70-H74 PolarHBondContact O-CD2 2.86Å; M70-H74 VanDerWaalsContact O-CG 3.29Å; M70-H74 PolarHBondContact O-N 2.86Å; D71-H74 PolarHBondContact O-N 3.26Å; H74-P77 WeakPolarHBondContact O-CD 3.47Å
75G96.9Very high96.8Very high23 Ų2371.5 Ų71.524%0.23738%0.375CS..THydrogen-bonded Turntrans-79.7-10.9173.700000115.4D71 L72 Q73 F78D71-G75 PolarHBondContact O-N 3.38Å; L72-G75 PolarHBondContact O-N 3.49Å; L72-G75 VanDerWaalsContact O-N 3.13Å; Q73-G75 PolarHBondContact O-N 3.08Å; G75-F78 WeakPolarHBondContact O-CD2 3.33Å; G75-F78 PolarHBondContact O-N 3.06Å
76L96.5Very high96.8Very high50 Ų5072.5 Ų72.526%0.26238%0.383SS..G310 helixtrans-56.3-34.9-174.1-72.8174.6000115.6L47 Q73 F78 V79 C82 I84L47-L76 HydrophobicContact CD1-CD2 4.35Å; Q73-L76 HydrophobicContact CB-CD1 4.4Å; Q73-L76 HydrophobicContact CG-CD1 4.37Å; Q73-L76 VanDerWaalsContact O-CB 3.29Å; Q73-L76 WeakPolarHBondContact O-CB 3.27Å; Q73-L76 VanDerWaalsContact O-CG 3.3Å; Q73-L76 WeakPolarHBondContact O-CG 3.37Å; Q73-L76 PolarHBondContact O-N 3.47Å; Q73-L76 VanDerWaalsContact O-N 3.08Å; L76-F78 PolarHBondContact O-N 2.96Å; L76-F78 VanDerWaalsContact O-N 3.11Å; L76-V79 HydrophobicContact CD2-CG2 4.24Å; L76-V79 PolarHBondContact O-N 2.97Å; L76-C82 HydrophobicContact CD2-CB 4.22Å; L76-C82 WeakPolarHBondContact CD2-O 3.29Å; L76-I84 HydrophobicContact CD2-CD1 3.85Å; L76-I84 HydrophobicContact CD2-CG1 4.13Å; L76-I84 HydrophobicContact CG-CD1 4.39Å
77P96.7Very high96.8Very high108 Ų10866.5 Ų66.570%0.70137%0.367SS*.G310 helixtrans-61.1-17.9176-26.236.7000114.8H74H74-P77 WeakPolarHBondContact O-CD 3.47Å
78F96.9Very high96.8Very high175 Ų17567.9 Ų67.977%0.76837%0.368SS*.G310 helixtrans-99.40.2-175.3-49.7-67.5000113.8G75 L76G75-F78 WeakPolarHBondContact O-CD2 3.33Å; G75-F78 PolarHBondContact O-N 3.06Å; L76-F78 PolarHBondContact O-N 2.96Å; L76-F78 VanDerWaalsContact O-N 3.11Å
79V95.4Very high96.7Very high35 Ų3569.7 Ų69.721%0.21238%0.379CS..SBendtrans-131.6171-176.7-650000111.1L47 V48 L76L47-V79 HydrophobicContact CD1-CG2 3.87Å; L47-V79 HydrophobicContact CD2-CG2 4.42Å; L47-V79 HydrophobicContact CG-CG1 4.39Å; L47-V79 HydrophobicContact CG-CG2 4.05Å; V48-V79 HydrophobicContact CG1-CG1 4.42Å; L76-V79 HydrophobicContact CD2-CG2 4.24Å; L76-V79 PolarHBondContact O-N 2.97Å
80K92.8Very high96.7Very high136 Ų13669.3 Ų69.359%0.59138%0.376SS*.SBendtrans-66.5154.7172.7-66.2-174.5-169.9179.30110.8H50 C82H50-K80 HydrophobicContact CB-CB 4.18Å; H50-K80 HydrophobicContact CB-CD 3.86Å; H50-K80 HydrophobicContact CB-CG 4.34Å; H50-K80 VanDerWaalsContact CD2-CD 3.41Å; H50-K80 WeakPolarHBondContact CD2-CD 3.39Å; H50-K80 WeakPolarHBondContact CD2-CE 3.29Å; H50-K80 PolarHBondContact CE1-N 3.17Å; H50-K80 VanDerWaalsContact CE1-N 3.3Å; H50-K80 WeakPolarHBondContact ND1-CB 3.48Å; H50-K80 PolarHBondContact ND1-N 2.72Å; K80-C82 PolarHBondContact O-N 2.83Å; K80-C82 VanDerWaalsContact O-N 3.14Å
81S90.9Very high96.7Very high120 Ų12067.7 Ų67.784%0.83937%0.374SS*.SBendtrans-46.4118.1-178.7-1710000112.1
82C94.4Very high96.6Very high8 Ų863.8 Ų63.85%0.05435%0.354CS..  trans-148.5133.5178.4-166.40000108.6L47 A52 S53 L76 K80L47-C82 HydrophobicContact CD1-CB 3.66Å; A52-C82 PolarHBondContact O-SG 2.69Å; A52-C82 VanDerWaalsContact O-SG 3.41Å; S53-C82 WeakPolarHBondContact O-CA 3.33Å; L76-C82 HydrophobicContact CD2-CB 4.22Å; L76-C82 WeakPolarHBondContact CD2-O 3.29Å; K80-C82 PolarHBondContact O-N 2.83Å; K80-C82 VanDerWaalsContact O-N 3.14Å
83T95.2Very high96.5Very high65 Ų6563.1 Ų63.140%0.39935%0.351SS..EExtended strand (participates in β ladder)trans-89.9129.8170.2-65.40000109S53 E54 I55 K85S53-T83 PolarHBondContact O-N 2.99Å; E54-T83 CarbonylContact C-O 3.56Å; E54-T83 VanDerWaalsContact CA-O 3.23Å; E54-T83 WeakPolarHBondContact CA-O 3.5Å; E54-T83 HydrophobicContact CG-CG2 4.33Å; I55-T83 PolarHBondContact N-O 3.32Å; T83-K85 HydrophobicContact CG2-CD 4.27Å; T83-K85 HydrophobicContact CG2-CG 4.08Å
84I97.1Very high96.5Very high4 Ų462.1 Ų62.12%0.02135%0.354CS..EExtended strand (participates in β ladder)trans-114.6123176.9-55.6-178.4000108.8L47 I55 M69 L72 Q73 L76L47-I84 HydrophobicContact CD1-CD1 4.12Å; L47-I84 HydrophobicContact CD2-CD1 3.92Å; I55-I84 WeakPolarHBondContact O-CA 3.31Å; M69-I84 HydrophobicContact CG-CG2 4.19Å; L72-I84 HydrophobicContact CB-CD1 3.61Å; L72-I84 HydrophobicContact CB-CG2 4.38Å; L72-I84 HydrophobicContact CD1-CD1 4.46Å; L72-I84 HydrophobicContact CD1-CG2 4.47Å; Q73-I84 HydrophobicContact CG-CB 4Å; Q73-I84 HydrophobicContact CG-CG2 4.42Å; Q73-I84 PolarHBondContact NE2-O 3.27Å; L76-I84 HydrophobicContact CD2-CD1 3.85Å; L76-I84 HydrophobicContact CD2-CG1 4.13Å; L76-I84 HydrophobicContact CG-CD1 4.39Å
85K97.2Very high96.4Very high83 Ų8358.1 Ų58.136%0.36135%0.349SS..EExtended strand (participates in β ladder)trans-127.4153.2177.8-68.2170.7-177.7153.30109.7E54 I55 C56 L57 T83 V92E54-K85 IonicContact OE1-NZ 2.74Å; E54-K85 IonicContact OE2-NZ 3.94Å; E54-K85 PolarHBondContact OE2-NZ 3.05Å; I55-K85 PolarHBondContact O-N 3.28Å; C56-K85 CarbonylContact C-O 3.6Å; C56-K85 WeakPolarHBondContact CA-O 3.49Å; L57-K85 PolarHBondContact N-O 3.19Å; T83-K85 HydrophobicContact CG2-CD 4.27Å; T83-K85 HydrophobicContact CG2-CG 4.08Å; K85-V92 HydrophobicContact CB-CG2 3.93Å; K85-V92 HydrophobicContact CD-CG2 4.28Å
86A98.2Very high96.4Very high26 Ų2657.1 Ų57.122%0.21534%0.339CS..EExtended strand (participates in β ladder)trans-145.4145.5173.400000111.2L57 L65 M69L57-A86 HydrophobicContact CB-CB 3.9Å; L57-A86 VanDerWaalsContact O-CA 3.23Å; L57-A86 WeakPolarHBondContact O-CA 3.15Å; L65-A86 HydrophobicContact CD1-CB 3.73Å; L65-A86 HydrophobicContact CD2-CB 4.28Å; L65-A86 HydrophobicContact CG-CB 3.74Å; M69-A86 HydrophobicContact CB-CB 3.69Å; M69-A86 HydrophobicContact CG-CB 3.82Å; M69-A86 HydrophobicContact SD-CB 3.55Å; M69-A86 VanDerWaalsContact SD-CB 3.55Å; M69-A86 PolarHBondContact SD-N 3.33Å
87S98.2Very high96.5Very high38 Ų3860.1 Ų60.127%0.26635%0.35SS..EExtended strand (participates in β ladder)trans-158.8155.1174.1-171.40000111.1L57 I58 L65 D89 V92L57-S87 PolarHBondContact O-N 2.78Å; L57-S87 VanDerWaalsContact O-N 3.13Å; I58-S87 WeakPolarHBondContact CD1-O 3.4Å; L65-S87 VanDerWaalsContact CD2-O 3.32Å; L65-S87 WeakPolarHBondContact CD2-O 3.32Å; S87-D89 VanDerWaalsContact C-N 3.28Å; S87-D89 PolarHBondContact OG-N 3.3Å; S87-V92 VanDerWaalsContact CB-CG1 3.47Å
88T98Very high96.6Very high67 Ų6755 Ų5541%0.41132%0.316SS..SBendtrans-76.7-20166.358.60000111.5D59 E62 L65D59-T88 WeakPolarHBondContact O-CA 3.37Å; D59-T88 WeakPolarHBondContact O-CG2 3.39Å; E62-T88 HydrophobicContact CB-CG2 4.05Å; E62-T88 HydrophobicContact CG-CG2 4.34Å; L65-T88 HydrophobicContact CD2-CG2 4.27Å
89D98Very high96.7Very high87 Ų8746.7 Ų46.747%0.46528%0.28SS..SBendtrans-88.1123.8175.8-176.9-0.5000111.6S87 A91 V92S87-D89 VanDerWaalsContact C-N 3.28Å; S87-D89 PolarHBondContact OG-N 3.3Å; D89-A91 PolarHBondContact O-N 3.41Å; D89-A91 PolarHBondContact OD1-N 3.24Å; D89-V92 WeakPolarHBondContact O-CG1 3.34Å; D89-V92 PolarHBondContact O-N 2.98Å
90Y98.2Very high96.8Very high26 Ų2645 Ų4510%0.10227%0.27CS..G310 helixtrans-61.3-14.7178-76.4-102.8000114.2I58 V92 T93 M127 K130 L131 Y134I58-Y90 HydrophobicContact CG2-CD1 4.48Å; I58-Y90 HydrophobicContact CG2-CD2 4.37Å; I58-Y90 HydrophobicContact CG2-CE1 4.02Å; I58-Y90 HydrophobicContact CG2-CE2 3.89Å; Y90-V92 PolarHBondContact O-N 3.44Å; Y90-T93 HydrophobicContact CD1-CG2 4.43Å; Y90-T93 VanDerWaalsContact O-CB 3.31Å; Y90-T93 WeakPolarHBondContact O-CB 3.23Å; Y90-T93 WeakPolarHBondContact O-CG2 3.48Å; Y90-T93 PolarHBondContact O-N 3.36Å; Y90-T93 PolarHBondContact O-OG1 3.46Å; Y90-M127 HydrophobicContact CE1-CG 3.92Å; Y90-M127 VanDerWaalsContact OH-CG 3.24Å; Y90-M127 WeakPolarHBondContact OH-CG 3.44Å; Y90-K130 HydrophobicContact CD1-CB 3.8Å; Y90-K130 HydrophobicContact CD2-CB 4.19Å; Y90-K130 HydrophobicContact CD2-CD 3.69Å; Y90-K130 HydrophobicContact CE1-CB 4.39Å; Y90-K130 HydrophobicContact CE2-CD 4.04Å; Y90-K130 HydrophobicContact CG-CB 3.68Å; Y90-K130 HydrophobicContact CG-CD 4.07Å; Y90-L131 HydrophobicContact CD1-CD2 3.7Å; Y90-L131 HydrophobicContact CD1-CG 3.95Å; Y90-L131 HydrophobicContact CE1-CD2 3.75Å; Y90-L131 HydrophobicContact CE1-CG 3.8Å; Y90-Y134 VanDerWaalsContact C-CD2 3.44Å; Y90-Y134 VanDerWaalsContact O-CD2 3.23Å; Y90-Y134 WeakPolarHBondContact O-CD2 3.17Å
91A97.5Very high97.1Very high38 Ų3838.5 Ų38.531%0.31424%0.241SC..G310 helixtrans-55.4-32.417500000112.9D89 T93 A94 Y134D89-A91 PolarHBondContact O-N 3.41Å; D89-A91 PolarHBondContact OD1-N 3.24Å; A91-T93 PolarHBondContact O-N 3.09Å; A91-T93 VanDerWaalsContact O-N 3.14Å; A91-A94 WeakPolarHBondContact O-CB 3.36Å; A91-A94 PolarHBondContact O-N 2.87Å; A91-A94 VanDerWaalsContact O-N 3.17Å; A91-Y134 HydrophobicContact CB-CD1 4.49Å; A91-Y134 HydrophobicContact CB-CE1 3.92Å; A91-Y134 HydrophobicContact CB-CE2 4.36Å
92V96.2Very high97.5Very high34 Ų3433.9 Ų33.921%0.20621%0.208CC..G310 helixtrans-64.9-17.3176.873.80000112.7K29 C56 I58 K85 S87 D89 Y90 A94K29-V92 WeakPolarHBondContact CE-O 3.18Å; K29-V92 PolarHBondContact NZ-O 2.86Å; C56-V92 WeakPolarHBondContact SG-CG1 3.36Å; C56-V92 PolarHBondContact SG-O 2.98Å; C56-V92 VanDerWaalsContact SG-O 3.35Å; I58-V92 HydrophobicContact CD1-CG1 3.39Å; K85-V92 HydrophobicContact CB-CG2 3.93Å; K85-V92 HydrophobicContact CD-CG2 4.28Å; S87-V92 VanDerWaalsContact CB-CG1 3.47Å; D89-V92 WeakPolarHBondContact O-CG1 3.34Å; D89-V92 PolarHBondContact O-N 2.98Å; Y90-V92 PolarHBondContact O-N 3.44Å; V92-A94 PolarHBondContact O-N 2.85Å
93T97.5Very high97.6Very high0 Ų034.5 Ų34.50%021%0.214CC..G310 helixtrans-77.7-8178.772.20000113.1T31 I58 Y90 A91 G95 S96 L131 S135T31-T93 HydrophobicContact CG2-CG2 3.61Å; T31-T93 WeakPolarHBondContact OG1-CB 3.33Å; I58-T93 HydrophobicContact CD1-CG2 3.61Å; I58-T93 HydrophobicContact CG1-CG2 3.4Å; I58-T93 VanDerWaalsContact CG1-CG2 3.4Å; Y90-T93 HydrophobicContact CD1-CG2 4.43Å; Y90-T93 VanDerWaalsContact O-CB 3.31Å; Y90-T93 WeakPolarHBondContact O-CB 3.23Å; Y90-T93 WeakPolarHBondContact O-CG2 3.48Å; Y90-T93 PolarHBondContact O-N 3.36Å; Y90-T93 PolarHBondContact O-OG1 3.46Å; A91-T93 PolarHBondContact O-N 3.09Å; A91-T93 VanDerWaalsContact O-N 3.14Å; T93-G95 PolarHBondContact O-N 3.19Å; T93-S96 WeakPolarHBondContact O-CB 3.34Å; T93-S96 PolarHBondContact O-N 3.06Å; T93-S96 PolarHBondContact O-OG 3.21Å; T93-L131 HydrophobicContact CG2-CD2 4.21Å; T93-S135 PolarHBondContact O-OG 3.24Å
94A96.9Very high97.5Very high47 Ų4733.1 Ų33.139%0.38821%0.213SC..THydrogen-bonded Turntrans-51.9133.3-171.800000113.3K29 A91 V92 Y134K29-A94 WeakPolarHBondContact CD-O 3.35Å; K29-A94 WeakPolarHBondContact CE-O 3.37Å; K29-A94 PolarHBondContact NZ-O 3.38Å; A91-A94 WeakPolarHBondContact O-CB 3.36Å; A91-A94 PolarHBondContact O-N 2.87Å; A91-A94 VanDerWaalsContact O-N 3.17Å; V92-A94 PolarHBondContact O-N 2.85Å; A94-Y134 VanDerWaalsContact CA-O 3.3Å; A94-Y134 WeakPolarHBondContact CA-O 3.36Å
95G95.7Very high97.2Very high50 Ų5034.1 Ų34.152%0.51522%0.222SC..THydrogen-bonded Turntrans77.217.4178.700000115.4T93 Y134 S135T93-G95 PolarHBondContact O-N 3.19Å; G95-Y134 PolarHBondContact N-O 3.44Å; G95-Y134 VanDerWaalsContact N-O 3.17Å; G95-S135 PolarHBondContact N-OG 2.99Å
96S98Very high96.6Very high3 Ų339.3 Ų39.32%0.02124%0.239CC..  trans-65.7139.8176.5-64.60000111.7T31 T93 S135 A138T31-S96 PolarHBondContact OG1-OG 3.44Å; T93-S96 WeakPolarHBondContact O-CB 3.34Å; T93-S96 PolarHBondContact O-N 3.06Å; T93-S96 PolarHBondContact O-OG 3.21Å; S96-S135 WeakPolarHBondContact CB-OG 3.31Å; S96-S135 PolarHBondContact N-OG 3.21Å; S96-A138 WeakPolarHBondContact O-CB 3.37Å
97K97.7Very high95.8Very high113 Ų11343.7 Ų43.749%0.49126%0.255SS..SBendtrans-82.6-36.6171.4-64.3-60.8-168176.40111.3K29 A138 I139 M271K29-K97 PolarHBondContact O-N 3.42Å; K97-A138 WeakPolarHBondContact O-CA 3.48Å; K97-I139 PolarHBondContact O-N 3.01Å; K97-M271 HydrophobicContact CB-CE 4.38Å; K97-M271 HydrophobicContact CB-SD 3.94Å; K97-M271 HydrophobicContact CG-CE 4.36Å
98I98.6Very high95.2Very high0 Ų049.9 Ų49.90%027%0.272CS..EExtended strand (participates in β ladder)trans-133.2133.5178.1-49.3175000108.6I30 T31 V100 I139 L141 C267 I270 M271I30-I98 WeakPolarHBondContact CA-O 2.95Å; I30-I98 HydrophobicContact CD1-CD1 4.13Å; I30-I98 HydrophobicContact CG1-CB 4.24Å; I30-I98 HydrophobicContact CG1-CD1 4.45Å; I30-I98 HydrophobicContact CG2-CB 4.36Å; T31-I98 PolarHBondContact N-O 3.01Å; I98-V100 HydrophobicContact CG2-CG2 4.14Å; I98-I139 CarbonylContact C-O 3.57Å; I98-I139 WeakPolarHBondContact CA-O 3.42Å; I98-L141 HydrophobicContact CG2-CB 4.27Å; I98-C267 HydrophobicContact CD1-CB 3.97Å; I98-I270 HydrophobicContact CD1-CB 3.82Å; I98-I270 HydrophobicContact CD1-CD1 4.09Å; I98-I270 HydrophobicContact CD1-CG2 3.67Å; I98-I270 HydrophobicContact CG1-CG2 4.02Å; I98-M271 HydrophobicContact CD1-CG 3.93Å; I98-M271 HydrophobicContact CD1-SD 3.8Å; I98-M271 HydrophobicContact CG1-SD 4.14Å
99C98.8Very high94.4Very high0 Ų056.4 Ų56.40%030%0.298CS..EExtended strand (participates in β ladder)trans-113.5110.4168.6-62.40000108.9T31 L131 I139 L140 L141T31-C99 CarbonylContact O-C 3.54Å; T31-C99 WeakPolarHBondContact O-CA 3.32Å; C99-L131 HydrophobicContact CB-CD1 4.4Å; C99-L131 HydrophobicContact CB-CD2 4.34Å; C99-I139 PolarHBondContact N-O 2.79Å; C99-L140 HydrophobicContact CB-CD2 3.68Å; C99-L141 PolarHBondContact O-N 2.93Å
100V98.9Very high93.6Very high0 Ų056.2 Ų56.20%032%0.317CS..EExtended strand (participates in β ladder)trans-89.3116.6178-175.20000109.1I30 T31 I32 V33 I98 T102 L141 I143 V263I30-V100 HydrophobicContact CG2-CG2 4.07Å; T31-V100 PolarHBondContact O-N 3.13Å; I32-V100 WeakPolarHBondContact CA-O 3.41Å; I32-V100 HydrophobicContact CG1-CB 4.22Å; V33-V100 PolarHBondContact N-O 3.14Å; I98-V100 HydrophobicContact CG2-CG2 4.14Å; V100-T102 HydrophobicContact CG1-CG2 3.9Å; V100-L141 CarbonylContact C-O 3.54Å; V100-L141 WeakPolarHBondContact CA-O 3.41Å; V100-L141 HydrophobicContact CG2-CD2 4.36Å; V100-I143 HydrophobicContact CG1-CD1 4.23Å; V100-I143 HydrophobicContact CG1-CG1 3.64Å; V100-V263 HydrophobicContact CG1-CG1 3.87Å; V100-V263 HydrophobicContact CG2-CG1 4.16Å
101I98.8Very high93.1Very high0 Ų056.1 Ų56.10%032%0.317CS..EExtended strand (participates in β ladder)trans-101.1105.4-176.2-58.1173.6000108.9F124 M127 V128 L131 L141 V142 I143 S144 T154I101-F124 HydrophobicContact CG2-CE1 4.06Å; I101-F124 HydrophobicContact CG2-CE2 4.22Å; I101-F124 HydrophobicContact CG2-CZ 3.62Å; I101-M127 HydrophobicContact CG2-CE 3.34Å; I101-M127 HydrophobicContact CG2-SD 3.95Å; I101-V128 HydrophobicContact CD1-CG2 4.35Å; I101-L131 HydrophobicContact CD1-CD1 3.92Å; I101-L131 HydrophobicContact CG1-CD1 4.04Å; I101-L141 PolarHBondContact N-O 3.3Å; I101-V142 HydrophobicContact CD1-CG2 4.44Å; I101-I143 WeakPolarHBondContact O-CA 3.32Å; I101-I143 WeakPolarHBondContact O-CB 3.43Å; I101-I143 PolarHBondContact O-N 3.3Å; I101-S144 PolarHBondContact O-N 3.19Å; I101-S144 PolarHBondContact O-OG 2.84Å; I101-T154 HydrophobicContact CD1-CG2 4.21Å
102T98.5Very high92.4Very high22 Ų2258.5 Ų58.514%0.13533%0.328CS..  trans-112.2-9.7176.976.70000112.9I32 V33 G34 V38 G39 V100 I143 S144I32-T102 HydrophobicContact CG2-CG2 4.41Å; V33-T102 CarbonylContact O-C 3.57Å; V33-T102 WeakPolarHBondContact O-CA 3.08Å; V33-T102 PolarHBondContact O-N 3.26Å; V33-T102 PolarHBondContact O-OG1 3.17Å; G34-T102 PolarHBondContact O-OG1 2.85Å; G34-T102 VanDerWaalsContact O-OG1 3.07Å; V38-T102 HydrophobicContact CG1-CG2 4.02Å; G39-T102 WeakPolarHBondContact CA-OG1 3.26Å; V100-T102 HydrophobicContact CG1-CG2 3.9Å; T102-I143 HydrophobicContact CG2-CB 4.14Å; T102-I143 HydrophobicContact CG2-CG1 4.01Å; T102-S144 VanDerWaalsContact C-OG 3.23Å
103A97.1Very high91.6Very high21 Ų2161.2 Ų61.217%0.17433%0.334CS..  trans-69134.4177.300000111.4V33 M127 S144V33-A103 HydrophobicContact CG1-CB 4.12Å; V33-A103 PolarHBondContact O-N 3.19Å; A103-M127 HydrophobicContact CB-SD 4.24Å; A103-S144 PolarHBondContact N-OG 3.25Å; A103-S144 WeakPolarHBondContact O-CB 3.19Å; A103-S144 PolarHBondContact O-OG 3.11Å
104G92.9Very high91Very high37 Ų3763.7 Ų63.738%0.38135%0.347SS..  trans-177.4155.7176.600000111N120G104-N120 VanDerWaalsContact CA-OD1 3.26Å; G104-N120 WeakPolarHBondContact CA-OD1 3.26Å
105A90.4Very high90.6Very high25 Ų2563.9 Ų63.921%0.20735%0.346CS..PPolyproline II helixtrans-63.2139.416700000110.1L116 R119 N120 I123A105-L116 HydrophobicContact CB-CD1 4.23Å; A105-L116 WeakPolarHBondContact O-CD1 3.45Å; A105-R119 HydrophobicContact CB-CB 4.26Å; A105-N120 PolarHBondContact N-OD1 2.81Å; A105-I123 HydrophobicContact CB-CD1 3.93Å
106R84.5Confident90.4Very high191 Ų19162.3 Ų62.372%0.72133%0.326SS*.PPolyproline II helixtrans-80.9146.2167.4-62.9-177.3-177.3-175.60.9109.4R108 R119R106-R108 PolarHBondContact O-N 2.91Å; R106-R119 PolarHBondContact O-NH2 2.7Å
107Q81.3Confident90.1Very high119 Ų11962.1 Ų62.156%0.55633%0.325SS*.PPolyproline II helixtrans-60.1131.7171.2-163.3170.75.600109.6E111 L116Q107-E111 WeakPolarHBondContact CA-OE2 3.26Å; Q107-E111 HydrophobicContact CG-CB 4.22Å; Q107-E111 PolarHBondContact NE2-O 3.12Å; Q107-L116 HydrophobicContact CB-CD1 4.5Å; Q107-L116 HydrophobicContact CB-CD2 3.85Å; Q107-L116 HydrophobicContact CG-CD2 4.1Å
108R85.5Confident89.8Confident168 Ų16860 Ų6063%0.63432%0.316SS*.PPolyproline II helixtrans-88155.4171.6-63.3175.8177.1169.30.4109.5R106 G110 E111R106-R108 PolarHBondContact O-N 2.91Å; R108-G110 PolarHBondContact O-N 3.42Å; R108-E111 HydrophobicContact CB-CB 4.1Å; R108-E111 PolarHBondContact N-OE2 3.32Å; R108-E111 WeakPolarHBondContact O-CB 3.4Å; R108-E111 PolarHBondContact O-N 3.04Å
109E81.5Confident89.6Confident204 Ų20462.9 Ų62.995%0.95333%0.327SS*.THydrogen-bonded Turntrans-57.4131.9173.6-169.9175.5179.700110.3E111E109-E111 PolarHBondContact O-N 2.81Å
110G82.1Confident89.4Confident83 Ų8362.9 Ų62.986%0.85633%0.327SS*.THydrogen-bonded Turntrans74-0.9-176.800000115.7R108R108-G110 PolarHBondContact O-N 3.42Å
111E87.1Confident89.3Confident23 Ų2363 Ų6311%0.10733%0.327CS..  trans-75.5132-179.1-172.2-173.3-160.600112.3Q107 R108 E109 L116 R119Q107-E111 WeakPolarHBondContact CA-OE2 3.26Å; Q107-E111 HydrophobicContact CG-CB 4.22Å; Q107-E111 PolarHBondContact NE2-O 3.12Å; R108-E111 HydrophobicContact CB-CB 4.1Å; R108-E111 PolarHBondContact N-OE2 3.32Å; R108-E111 WeakPolarHBondContact O-CB 3.4Å; R108-E111 PolarHBondContact O-N 3.04Å; E109-E111 PolarHBondContact O-N 2.81Å; E111-L116 VanDerWaalsContact OE1-CA 3.29Å; E111-L116 WeakPolarHBondContact OE1-CA 3.29Å; E111-L116 PolarHBondContact OE1-N 3.43Å; E111-R119 IonicContact OE1-CZ 3.91Å; E111-R119 IonicContact OE1-NE 2.61Å; E111-R119 PolarHBondContact OE1-NE 3.43Å; E111-R119 IonicContact OE1-NH2 3.71Å; E111-R119 PolarHBondContact OE1-NH2 2.9Å; E111-R119 IonicContact OE2-CZ 2.7Å; E111-R119 IonicContact OE2-NE 3.11Å; E111-R119 IonicContact OE2-NH2 3.78Å; E111-R119 PolarHBondContact OE2-NH2 3.3Å
112T82.5Confident89.1Confident88 Ų8868.2 Ų68.254%0.5435%0.352SS..  trans-68.1148.7175.271.50000111.4L114 S115 L116T112-L114 PolarHBondContact O-N 3.05Å; T112-S115 PolarHBondContact O-N 3.48Å; T112-S115 VanDerWaalsContact O-N 3.11Å; T112-S115 VanDerWaalsContact OG1-CB 3.31Å; T112-S115 WeakPolarHBondContact OG1-CB 3.31Å; T112-S115 PolarHBondContact OG1-N 2.88Å; T112-S115 VanDerWaalsContact OG1-N 3.15Å; T112-L116 PolarHBondContact O-N 3.36Å; T112-L116 VanDerWaalsContact O-N 3.09Å
113R80.1Confident89Confident91 Ų9170.5 Ų70.534%0.34336%0.363SS..Hα-helixtrans-54.3-40.3175.9-173.5174.2178.8169.61.4112.1L116 V117 E199R113-L116 PolarHBondContact O-N 3.35Å; R113-V117 VanDerWaalsContact O-CG2 3.29Å; R113-V117 WeakPolarHBondContact O-CG2 3.41Å; R113-V117 PolarHBondContact O-N 3.41Å; R113-E199 IonicContact CZ-OE1 3.58Å; R113-E199 IonicContact NH1-OE1 2.8Å; R113-E199 PolarHBondContact NH1-OE1 3.43Å; R113-E199 IonicContact NH2-OE1 2.86Å; R113-E199 PolarHBondContact NH2-OE1 2.93Å
114L84.6Confident89Confident52 Ų5269.5 Ų69.527%0.27235%0.354SS..Hα-helixtrans-64.6-44.3177.5-175.568.3000112.3T112 L116 V117 H118 I333 E336T112-L114 PolarHBondContact O-N 3.05Å; L114-L116 VanDerWaalsContact C-N 3.33Å; L114-L116 PolarHBondContact O-N 3.39Å; L114-V117 WeakPolarHBondContact O-CB 3.39Å; L114-V117 PolarHBondContact O-N 2.89Å; L114-V117 VanDerWaalsContact O-N 3.16Å; L114-H118 PolarHBondContact O-CD2 3.48Å; L114-H118 PolarHBondContact O-N 3.43Å; L114-I333 HydrophobicContact CD1-CG2 4.08Å; L114-E336 HydrophobicContact CD1-CB 3.92Å; L114-E336 VanDerWaalsContact CD1-OE2 3.24Å; L114-E336 WeakPolarHBondContact CD1-OE2 3.3Å; L114-E336 WeakPolarHBondContact CD2-OE2 3.12Å
115S88.6Confident89.2Confident51 Ų5171.7 Ų71.736%0.35735%0.351SS..Hα-helixtrans-61.5-42177.8-175.10000111.8T112 V117 H118 R119T112-S115 PolarHBondContact O-N 3.48Å; T112-S115 VanDerWaalsContact O-N 3.11Å; T112-S115 VanDerWaalsContact OG1-CB 3.31Å; T112-S115 WeakPolarHBondContact OG1-CB 3.31Å; T112-S115 PolarHBondContact OG1-N 2.88Å; T112-S115 VanDerWaalsContact OG1-N 3.15Å; S115-V117 VanDerWaalsContact C-N 3.35Å; S115-V117 PolarHBondContact O-N 2.96Å; S115-H118 PolarHBondContact O-N 3.15Å; S115-R119 PolarHBondContact O-N 2.91Å; S115-R119 VanDerWaalsContact O-N 3.1Å
116L90.3Very high89.5Confident17 Ų1772.2 Ų72.29%0.08936%0.359CS..Hα-helixtrans-60.3-44.4173.817663000111.8A105 Q107 E111 T112 R113 L114 R119 N120A105-L116 HydrophobicContact CB-CD1 4.23Å; A105-L116 WeakPolarHBondContact O-CD1 3.45Å; Q107-L116 HydrophobicContact CB-CD1 4.5Å; Q107-L116 HydrophobicContact CB-CD2 3.85Å; Q107-L116 HydrophobicContact CG-CD2 4.1Å; E111-L116 VanDerWaalsContact OE1-CA 3.29Å; E111-L116 WeakPolarHBondContact OE1-CA 3.29Å; E111-L116 PolarHBondContact OE1-N 3.43Å; T112-L116 PolarHBondContact O-N 3.36Å; T112-L116 VanDerWaalsContact O-N 3.09Å; R113-L116 PolarHBondContact O-N 3.35Å; L114-L116 VanDerWaalsContact C-N 3.33Å; L114-L116 PolarHBondContact O-N 3.39Å; L116-R119 PolarHBondContact O-N 2.59Å; L116-N120 PolarHBondContact O-N 3.38Å
117V91.8Very high90.1Very high0 Ų063.3 Ų63.30%033%0.326CS..Hα-helixtrans-59.5-48.7176.9173.60000110.4R113 L114 S115 R119 N120 V121 P146 I149 I333 L337R113-V117 VanDerWaalsContact O-CG2 3.29Å; R113-V117 WeakPolarHBondContact O-CG2 3.41Å; R113-V117 PolarHBondContact O-N 3.41Å; L114-V117 WeakPolarHBondContact O-CB 3.39Å; L114-V117 PolarHBondContact O-N 2.89Å; L114-V117 VanDerWaalsContact O-N 3.16Å; S115-V117 VanDerWaalsContact C-N 3.35Å; S115-V117 PolarHBondContact O-N 2.96Å; V117-R119 VanDerWaalsContact C-N 3.35Å; V117-R119 PolarHBondContact O-N 3.31Å; V117-N120 CarbonylContact O-C 3.58Å; V117-N120 PolarHBondContact O-N 3.32Å; V117-N120 VanDerWaalsContact O-N 3.1Å; V117-V121 HydrophobicContact CG1-CG2 4.14Å; V117-V121 WeakPolarHBondContact O-CG2 3.38Å; V117-V121 PolarHBondContact O-N 2.95Å; V117-P146 HydrophobicContact CG2-CG 3.45Å; V117-P146 VanDerWaalsContact CG2-CG 3.45Å; V117-I149 HydrophobicContact CG1-CG2 3.74Å; V117-I149 HydrophobicContact CG2-CD1 4.19Å; V117-I149 HydrophobicContact CG2-CG2 4.5Å; V117-I333 HydrophobicContact CG2-CG2 4.44Å; V117-L337 HydrophobicContact CB-CD2 4.5Å; V117-L337 HydrophobicContact CG1-CD1 3.93Å; V117-L337 HydrophobicContact CG1-CD2 3.47Å; V117-L337 VanDerWaalsContact CG1-CD2 3.47Å; V117-L337 HydrophobicContact CG1-CG 4.34Å
118H92.4Very high90.9Very high67 Ų6757.6 Ų57.631%0.3130%0.299SS..Hα-helixtrans-57.7-44.2178.7-75.5-63.6000112.8L114 S115 N120 V121 E122 E336L114-H118 PolarHBondContact O-CD2 3.48Å; L114-H118 PolarHBondContact O-N 3.43Å; S115-H118 PolarHBondContact O-N 3.15Å; H118-N120 VanDerWaalsContact C-N 3.29Å; H118-N120 PolarHBondContact O-N 3.04Å; H118-V121 WeakPolarHBondContact O-CB 3.27Å; H118-V121 PolarHBondContact O-N 3.4Å; H118-E122 PolarHBondContact O-N 2.98Å; H118-E122 VanDerWaalsContact O-N 3.11Å; H118-E336 PolarHBondContact CE1-O 3.28Å
119R94Very high91.5Very high61 Ų6152.4 Ų52.423%0.2329%0.287CS..Hα-helixtrans-60.9-40.8176.4-68.4-167.7-60.5138.56.8111.8A105 R106 E111 S115 L116 V117 E122 I123A105-R119 HydrophobicContact CB-CB 4.26Å; R106-R119 PolarHBondContact O-NH2 2.7Å; E111-R119 IonicContact OE1-CZ 3.91Å; E111-R119 IonicContact OE1-NE 2.61Å; E111-R119 PolarHBondContact OE1-NE 3.43Å; E111-R119 IonicContact OE1-NH2 3.71Å; E111-R119 PolarHBondContact OE1-NH2 2.9Å; E111-R119 IonicContact OE2-CZ 2.7Å; E111-R119 IonicContact OE2-NE 3.11Å; E111-R119 IonicContact OE2-NH2 3.78Å; E111-R119 PolarHBondContact OE2-NH2 3.3Å; S115-R119 PolarHBondContact O-N 2.91Å; S115-R119 VanDerWaalsContact O-N 3.1Å; L116-R119 PolarHBondContact O-N 2.59Å; V117-R119 VanDerWaalsContact C-N 3.35Å; V117-R119 PolarHBondContact O-N 3.31Å; R119-E122 PolarHBondContact O-N 3.04Å; R119-I123 WeakPolarHBondContact O-CG1 3.42Å; R119-I123 PolarHBondContact O-N 2.96Å
120N95.6Very high92.3Very high0 Ų047.6 Ų47.60%026%0.263CS..Hα-helixtrans-69-35.4176-80.1-34.6000112.8G104 A105 L116 V117 H118 E122 I123 F124 N145 L150G104-N120 VanDerWaalsContact CA-OD1 3.26Å; G104-N120 WeakPolarHBondContact CA-OD1 3.26Å; A105-N120 PolarHBondContact N-OD1 2.81Å; L116-N120 PolarHBondContact O-N 3.38Å; V117-N120 CarbonylContact O-C 3.58Å; V117-N120 PolarHBondContact O-N 3.32Å; V117-N120 VanDerWaalsContact O-N 3.1Å; H118-N120 VanDerWaalsContact C-N 3.29Å; H118-N120 PolarHBondContact O-N 3.04Å; N120-E122 VanDerWaalsContact C-N 3.32Å; N120-E122 PolarHBondContact O-N 3.33Å; N120-I123 PolarHBondContact O-N 3.43Å; N120-F124 WeakPolarHBondContact O-CB 3.26Å; N120-F124 WeakPolarHBondContact O-CD2 3.49Å; N120-F124 PolarHBondContact O-N 3.2Å; N120-N145 PolarHBondContact ND2-O 3.03Å; N120-N145 VanDerWaalsContact ND2-O 3.09Å; N120-L150 HydrophobicContact CB-CD1 3.88Å; N120-L150 HydrophobicContact CB-CD2 3.68Å; N120-L150 HydrophobicContact CB-CG 4.43Å
121V95.2Very high93.1Very high2 Ų243.7 Ų43.71%0.01222%0.222CC..Hα-helixtrans-58.3-45.5173.3171.50000110.6V117 H118 I123 F124 R125 V153 L337V117-V121 HydrophobicContact CG1-CG2 4.14Å; V117-V121 WeakPolarHBondContact O-CG2 3.38Å; V117-V121 PolarHBondContact O-N 2.95Å; H118-V121 WeakPolarHBondContact O-CB 3.27Å; H118-V121 PolarHBondContact O-N 3.4Å; V121-I123 PolarHBondContact O-N 3.41Å; V121-F124 CarbonylContact O-C 3.52Å; V121-F124 PolarHBondContact O-N 3.08Å; V121-F124 VanDerWaalsContact O-N 3.13Å; V121-R125 WeakPolarHBondContact O-CG 3.37Å; V121-R125 PolarHBondContact O-N 3.04Å; V121-V153 HydrophobicContact CG1-CG1 4.38Å; V121-V153 HydrophobicContact CG2-CG1 4.12Å; V121-V153 HydrophobicContact CG2-CG2 3.76Å; V121-L337 HydrophobicContact CG2-CD1 4.43Å; V121-L337 HydrophobicContact CG2-CD2 4.39Å
122E95Very high93.6Very high110 Ų11043.8 Ų43.851%0.51423%0.225SC..Hα-helixtrans-64.8-40.2178.2-65.6-49.8122.400112.8H118 R119 N120 F124 R125 G126H118-E122 PolarHBondContact O-N 2.98Å; H118-E122 VanDerWaalsContact O-N 3.11Å; R119-E122 PolarHBondContact O-N 3.04Å; N120-E122 VanDerWaalsContact C-N 3.32Å; N120-E122 PolarHBondContact O-N 3.33Å; E122-F124 VanDerWaalsContact C-N 3.29Å; E122-F124 PolarHBondContact O-N 3.43Å; E122-R125 PolarHBondContact O-N 2.8Å; E122-R125 IonicContact OE1-CZ 3.74Å; E122-R125 IonicContact OE1-NE 3.57Å; E122-R125 PolarHBondContact OE1-NE 3.27Å; E122-R125 IonicContact OE1-NH2 3.1Å; E122-R125 PolarHBondContact OE1-NH2 2.76Å; E122-R125 VanDerWaalsContact OE1-NH2 3.1Å; E122-R125 IonicContact OE2-NE 2.65Å; E122-G126 PolarHBondContact O-N 3.47Å
123I96.2Very high94.4Very high70 Ų7046.6 Ų46.636%0.35923%0.229SC..Hα-helixtrans-59.2-43.6171.7-67.1167.7000110.4A105 R119 N120 V121 G126 M127A105-I123 HydrophobicContact CB-CD1 3.93Å; R119-I123 WeakPolarHBondContact O-CG1 3.42Å; R119-I123 PolarHBondContact O-N 2.96Å; N120-I123 PolarHBondContact O-N 3.43Å; V121-I123 PolarHBondContact O-N 3.41Å; I123-G126 PolarHBondContact O-N 3.26Å; I123-M127 WeakPolarHBondContact O-CB 3.48Å; I123-M127 PolarHBondContact O-N 2.93Å
124F98Very high95.2Very high0 Ų045.5 Ų45.50%023%0.226CC..Hα-helixtrans-69.2-36.7-178.3-83.9-128.9000112.1I101 N120 V121 E122 G126 M127 V128 V142 L150 V153 T154 L157I101-F124 HydrophobicContact CG2-CE1 4.06Å; I101-F124 HydrophobicContact CG2-CE2 4.22Å; I101-F124 HydrophobicContact CG2-CZ 3.62Å; N120-F124 WeakPolarHBondContact O-CB 3.26Å; N120-F124 WeakPolarHBondContact O-CD2 3.49Å; N120-F124 PolarHBondContact O-N 3.2Å; V121-F124 CarbonylContact O-C 3.52Å; V121-F124 PolarHBondContact O-N 3.08Å; V121-F124 VanDerWaalsContact O-N 3.13Å; E122-F124 VanDerWaalsContact C-N 3.29Å; E122-F124 PolarHBondContact O-N 3.43Å; F124-G126 VanDerWaalsContact C-N 3.25Å; F124-G126 PolarHBondContact O-N 3.08Å; F124-M127 HydrophobicContact CD1-CE 4.27Å; F124-M127 HydrophobicContact CD2-CE 3.59Å; F124-M127 HydrophobicContact CE1-CE 4.33Å; F124-M127 HydrophobicContact CE2-CE 3.67Å; F124-M127 HydrophobicContact CG-CE 3.91Å; F124-M127 HydrophobicContact CZ-CE 4.04Å; F124-M127 PolarHBondContact O-N 3.23Å; F124-M127 VanDerWaalsContact O-N 3.11Å; F124-V128 HydrophobicContact CB-CG2 4.18Å; F124-V128 HydrophobicContact CD1-CG2 3.92Å; F124-V128 HydrophobicContact CG-CG2 4.33Å; F124-V128 WeakPolarHBondContact O-CB 3.46Å; F124-V128 PolarHBondContact O-N 2.79Å; F124-V142 HydrophobicContact CE1-CG1 4.08Å; F124-V142 HydrophobicContact CZ-CG1 4.21Å; F124-L150 HydrophobicContact CE1-CB 3.94Å; F124-L150 HydrophobicContact CE2-CD1 4.03Å; F124-L150 HydrophobicContact CZ-CB 4.04Å; F124-L150 HydrophobicContact CZ-CD1 3.89Å; F124-L150 HydrophobicContact CZ-CG 4.41Å; F124-V153 HydrophobicContact CB-CG1 4.1Å; F124-V153 HydrophobicContact CD1-CG1 4.44Å; F124-T154 VanDerWaalsContact CD1-OG1 3.27Å; F124-T154 WeakPolarHBondContact CD1-OG1 3.48Å; F124-T154 WeakPolarHBondContact CE1-OG1 3.44Å; F124-L157 HydrophobicContact CB-CD1 3.87Å
125R96.7Very high95.9Very high83 Ų8343.1 Ų43.131%0.31321%0.213SC..Hα-helixtrans-57.2-38.9172.5-74.5-168.1-140.2-98.51.4112.2V121 E122 M127 P129 L157 H338V121-R125 WeakPolarHBondContact O-CG 3.37Å; V121-R125 PolarHBondContact O-N 3.04Å; E122-R125 PolarHBondContact O-N 2.8Å; E122-R125 IonicContact OE1-CZ 3.74Å; E122-R125 IonicContact OE1-NE 3.57Å; E122-R125 PolarHBondContact OE1-NE 3.27Å; E122-R125 IonicContact OE1-NH2 3.1Å; E122-R125 PolarHBondContact OE1-NH2 2.76Å; E122-R125 VanDerWaalsContact OE1-NH2 3.1Å; E122-R125 IonicContact OE2-NE 2.65Å; R125-M127 VanDerWaalsContact C-N 3.33Å; R125-P129 VanDerWaalsContact O-CD 3.27Å; R125-P129 WeakPolarHBondContact O-CD 3.36Å; R125-L157 HydrophobicContact CG-CD1 4.09Å; R125-L157 HydrophobicContact CG-CD2 3.89Å; R125-H338 PolarHBondContact NH1-O 3.47Å; R125-H338 PolarHBondContact NH2-O 3.32Å
126G95.7Very high96.3Very high36 Ų3644 Ų4437%0.37122%0.218SC..Hα-helixtrans-76.5-15.9178.400000115.2E122 I123 F124 K130E122-G126 PolarHBondContact O-N 3.47Å; I123-G126 PolarHBondContact O-N 3.26Å; F124-G126 VanDerWaalsContact C-N 3.25Å; F124-G126 PolarHBondContact O-N 3.08Å; G126-K130 VanDerWaalsContact O-CD 3.24Å; G126-K130 WeakPolarHBondContact O-CD 3.41Å; G126-K130 WeakPolarHBondContact O-CE 3.39Å; G126-K130 PolarHBondContact O-NZ 3.46Å; G126-K130 VanDerWaalsContact O-NZ 3.11Å
127M97.3Very high96.6Very high4 Ų449.3 Ų49.32%0.0225%0.247CC..Hα-helixtrans-112.4-53.1-169.4167.2175.163.900113.1V33 Y90 I101 A103 I123 F124 R125 K130 L131V33-M127 HydrophobicContact CB-SD 4.02Å; V33-M127 HydrophobicContact CG1-CG 4.29Å; V33-M127 HydrophobicContact CG1-SD 3.36Å; V33-M127 WeakPolarHBondContact CG1-SD 3.24Å; V33-M127 HydrophobicContact CG2-SD 4.5Å; Y90-M127 HydrophobicContact CE1-CG 3.92Å; Y90-M127 VanDerWaalsContact OH-CG 3.24Å; Y90-M127 WeakPolarHBondContact OH-CG 3.44Å; I101-M127 HydrophobicContact CG2-CE 3.34Å; I101-M127 HydrophobicContact CG2-SD 3.95Å; A103-M127 HydrophobicContact CB-SD 4.24Å; I123-M127 WeakPolarHBondContact O-CB 3.48Å; I123-M127 PolarHBondContact O-N 2.93Å; F124-M127 HydrophobicContact CD1-CE 4.27Å; F124-M127 HydrophobicContact CD2-CE 3.59Å; F124-M127 HydrophobicContact CE1-CE 4.33Å; F124-M127 HydrophobicContact CE2-CE 3.67Å; F124-M127 HydrophobicContact CG-CE 3.91Å; F124-M127 HydrophobicContact CZ-CE 4.04Å; F124-M127 PolarHBondContact O-N 3.23Å; F124-M127 VanDerWaalsContact O-N 3.11Å; R125-M127 VanDerWaalsContact C-N 3.33Å; M127-K130 WeakPolarHBondContact O-CB 3.11Å; M127-K130 PolarHBondContact O-N 3.21Å; M127-K130 VanDerWaalsContact O-N 3.13Å; M127-L131 HydrophobicContact CG-CD1 3.94Å; M127-L131 HydrophobicContact CG-CG 4.44Å; M127-L131 PolarHBondContact O-N 3.45Å; M127-L131 VanDerWaalsContact O-N 3.13Å
128V98.5Very high96.9Very high0 Ų049.3 Ų49.30%025%0.247CC..Hα-helixtrans-60.2-47.9-170172.60000112.2I101 F124 K130 L131 V132 L140 T154 L157I101-V128 HydrophobicContact CD1-CG2 4.35Å; F124-V128 HydrophobicContact CB-CG2 4.18Å; F124-V128 HydrophobicContact CD1-CG2 3.92Å; F124-V128 HydrophobicContact CG-CG2 4.33Å; F124-V128 WeakPolarHBondContact O-CB 3.46Å; F124-V128 PolarHBondContact O-N 2.79Å; V128-K130 PolarHBondContact O-N 2.97Å; V128-L131 PolarHBondContact O-N 3.08Å; V128-L131 VanDerWaalsContact O-N 3.16Å; V128-V132 PolarHBondContact O-N 2.94Å; V128-V132 VanDerWaalsContact O-N 3.11Å; V128-L140 HydrophobicContact CG1-CD1 4.2Å; V128-T154 HydrophobicContact CG1-CG2 4.15Å; V128-T154 HydrophobicContact CG2-CG2 4.1Å; V128-L157 HydrophobicContact CB-CB 4.12Å; V128-L157 HydrophobicContact CG1-CB 3.92Å
129P98.4Very high97.2Very high59 Ų5946.3 Ų46.338%0.38323%0.233SC..Hα-helixtrans-60-33.4177.4-25.836.3000113.5R125 K133R125-P129 VanDerWaalsContact O-CD 3.27Å; R125-P129 WeakPolarHBondContact O-CD 3.36Å; P129-K133 VanDerWaalsContact O-CB 3.32Å; P129-K133 WeakPolarHBondContact O-CB 3.48Å; P129-K133 PolarHBondContact O-N 3.02Å
130K98.4Very high97.4Very high103 Ų10343.4 Ų43.445%0.44822%0.222SC..Hα-helixtrans-69.3-40.5177.5-62.4178.6-175.2161.20111.6Y90 G126 M127 V128 K133 Y134Y90-K130 HydrophobicContact CD1-CB 3.8Å; Y90-K130 HydrophobicContact CD2-CB 4.19Å; Y90-K130 HydrophobicContact CD2-CD 3.69Å; Y90-K130 HydrophobicContact CE1-CB 4.39Å; Y90-K130 HydrophobicContact CE2-CD 4.04Å; Y90-K130 HydrophobicContact CG-CB 3.68Å; Y90-K130 HydrophobicContact CG-CD 4.07Å; G126-K130 VanDerWaalsContact O-CD 3.24Å; G126-K130 WeakPolarHBondContact O-CD 3.41Å; G126-K130 WeakPolarHBondContact O-CE 3.39Å; G126-K130 PolarHBondContact O-NZ 3.46Å; G126-K130 VanDerWaalsContact O-NZ 3.11Å; M127-K130 WeakPolarHBondContact O-CB 3.11Å; M127-K130 PolarHBondContact O-N 3.21Å; M127-K130 VanDerWaalsContact O-N 3.13Å; V128-K130 PolarHBondContact O-N 2.97Å; K130-K133 WeakPolarHBondContact O-CB 3.07Å; K130-K133 PolarHBondContact O-N 2.92Å; K130-Y134 WeakPolarHBondContact O-CD2 3.35Å; K130-Y134 PolarHBondContact O-N 3.39Å
131L98.5Very high97.5Very high0 Ų043.4 Ų43.40%022%0.222CC..Hα-helixtrans-60.6-47.2174.7-69.1169.5000111.3T31 V33 Y90 T93 C99 I101 M127 V128 K133 Y134 S135T31-L131 HydrophobicContact CG2-CD2 4.21Å; V33-L131 HydrophobicContact CG2-CD1 4.07Å; V33-L131 HydrophobicContact CG2-CD2 3.83Å; Y90-L131 HydrophobicContact CD1-CD2 3.7Å; Y90-L131 HydrophobicContact CD1-CG 3.95Å; Y90-L131 HydrophobicContact CE1-CD2 3.75Å; Y90-L131 HydrophobicContact CE1-CG 3.8Å; T93-L131 HydrophobicContact CG2-CD2 4.21Å; C99-L131 HydrophobicContact CB-CD1 4.4Å; C99-L131 HydrophobicContact CB-CD2 4.34Å; I101-L131 HydrophobicContact CD1-CD1 3.92Å; I101-L131 HydrophobicContact CG1-CD1 4.04Å; M127-L131 HydrophobicContact CG-CD1 3.94Å; M127-L131 HydrophobicContact CG-CG 4.44Å; M127-L131 PolarHBondContact O-N 3.45Å; M127-L131 VanDerWaalsContact O-N 3.13Å; V128-L131 PolarHBondContact O-N 3.08Å; V128-L131 VanDerWaalsContact O-N 3.16Å; L131-K133 VanDerWaalsContact C-N 3.35Å; L131-K133 PolarHBondContact O-N 2.91Å; L131-Y134 PolarHBondContact O-N 3.29Å; L131-S135 PolarHBondContact O-N 2.5Å
132V98.5Very high97.7Very high26 Ų2643.3 Ų43.316%0.15822%0.221CC..Hα-helixtrans-66.1-38.2179.3179.80000111.5V128 Y134 S135 P136 L140 L160V128-V132 PolarHBondContact O-N 2.94Å; V128-V132 VanDerWaalsContact O-N 3.11Å; V132-Y134 VanDerWaalsContact C-N 3.29Å; V132-Y134 PolarHBondContact O-N 2.69Å; V132-S135 CarbonylContact O-C 3.59Å; V132-S135 PolarHBondContact O-N 3.04Å; V132-P136 VanDerWaalsContact O-CA 3.3Å; V132-P136 WeakPolarHBondContact O-CA 3.02Å; V132-P136 WeakPolarHBondContact O-CD 3.39Å; V132-P136 VanDerWaalsContact O-N 3.08Å; V132-L140 HydrophobicContact CG2-CD1 4.21Å; V132-L160 HydrophobicContact CG1-CD2 4.18Å; V132-L160 HydrophobicContact CG2-CD1 4.14Å; V132-L160 HydrophobicContact CG2-CG 4.21Å
133K98.5Very high97.9Very high147 Ų14738.6 Ų38.664%0.63920%0.199SC*.Hα-helixtrans-53.9-44.9175.4177-175.5176.3-172.30112.2P129 K130 L131P129-K133 VanDerWaalsContact O-CB 3.32Å; P129-K133 WeakPolarHBondContact O-CB 3.48Å; P129-K133 PolarHBondContact O-N 3.02Å; K130-K133 WeakPolarHBondContact O-CB 3.07Å; K130-K133 PolarHBondContact O-N 2.92Å; L131-K133 VanDerWaalsContact C-N 3.35Å; L131-K133 PolarHBondContact O-N 2.91Å
134Y98.1Very high97.9Very high67 Ų6735.7 Ų35.726%0.26319%0.185SC..Hα-helixtrans-92.4-21.3-176.5-65.5-65.5000113.5Y90 A91 A94 G95 K130 L131 V132Y90-Y134 VanDerWaalsContact C-CD2 3.44Å; Y90-Y134 VanDerWaalsContact O-CD2 3.23Å; Y90-Y134 WeakPolarHBondContact O-CD2 3.17Å; A91-Y134 HydrophobicContact CB-CD1 4.49Å; A91-Y134 HydrophobicContact CB-CE1 3.92Å; A91-Y134 HydrophobicContact CB-CE2 4.36Å; A94-Y134 VanDerWaalsContact CA-O 3.3Å; A94-Y134 WeakPolarHBondContact CA-O 3.36Å; G95-Y134 PolarHBondContact N-O 3.44Å; G95-Y134 VanDerWaalsContact N-O 3.17Å; K130-Y134 WeakPolarHBondContact O-CD2 3.35Å; K130-Y134 PolarHBondContact O-N 3.39Å; L131-Y134 PolarHBondContact O-N 3.29Å; V132-Y134 VanDerWaalsContact C-N 3.29Å; V132-Y134 PolarHBondContact O-N 2.69Å
135S97.6Very high97.7Very high2 Ų239.5 Ų39.51%0.01421%0.206CC..  trans-136.467.7-179.9-580000111.7T93 G95 S96 L131 V132 N137 A138T93-S135 PolarHBondContact O-OG 3.24Å; G95-S135 PolarHBondContact N-OG 2.99Å; S96-S135 WeakPolarHBondContact CB-OG 3.31Å; S96-S135 PolarHBondContact N-OG 3.21Å; L131-S135 PolarHBondContact O-N 2.5Å; V132-S135 CarbonylContact O-C 3.59Å; V132-S135 PolarHBondContact O-N 3.04Å; S135-N137 PolarHBondContact O-N 2.89Å; S135-N137 VanDerWaalsContact O-N 3.09Å; S135-A138 WeakPolarHBondContact O-CB 3.21Å; S135-A138 PolarHBondContact O-N 3.03Å
136P97.4Very high97.6Very high69 Ų6936.3 Ų36.345%0.44820%0.196SC..THydrogen-bonded Turntrans-64.8-18.2-175.126.2-36.2000113.7V132 R164V132-P136 VanDerWaalsContact O-CA 3.3Å; V132-P136 WeakPolarHBondContact O-CA 3.02Å; V132-P136 WeakPolarHBondContact O-CD 3.39Å; V132-P136 VanDerWaalsContact O-N 3.08Å; P136-R164 PolarHBondContact O-NH1 3.36Å
137N96.2Very high97.7Very high130 Ų13034.6 Ų34.670%0.69518%0.178SC*.THydrogen-bonded Turntrans-98.42.2178.9-64.1-33.9000113.5S135 R164S135-N137 PolarHBondContact O-N 2.89Å; S135-N137 VanDerWaalsContact O-N 3.09Å; N137-R164 VanDerWaalsContact CA-NH1 3.31Å
138A98Very high97.7Very high0 Ų034.6 Ų34.60%018%0.178CC..PPolyproline II helixtrans-69.4156.1-178.900000112.4S96 K97 S135 R164S96-A138 WeakPolarHBondContact O-CB 3.37Å; K97-A138 WeakPolarHBondContact O-CA 3.48Å; S135-A138 WeakPolarHBondContact O-CB 3.21Å; S135-A138 PolarHBondContact O-N 3.03Å; A138-R164 PolarHBondContact O-NH1 2.83Å
139I98.7Very high97.6Very high4 Ų434.7 Ų34.72%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-90.3129.8156.6-66.4155.9000107.8K97 I98 C99 R164 I166 I270 E304K97-I139 PolarHBondContact O-N 3.01Å; I98-I139 CarbonylContact C-O 3.57Å; I98-I139 WeakPolarHBondContact CA-O 3.42Å; C99-I139 PolarHBondContact N-O 2.79Å; I139-R164 CarbonylContact C-O 3.4Å; I139-R164 WeakPolarHBondContact CA-O 3.19Å; I139-R164 HydrophobicContact CG1-CB 4.39Å; I139-R164 HydrophobicContact CG1-CG 4.2Å; I139-I166 HydrophobicContact CG2-CD1 3.66Å; I139-I166 HydrophobicContact CG2-CG1 4.18Å; I139-I270 HydrophobicContact CD1-CD1 4.32Å; I139-I270 HydrophobicContact CD1-CG1 4.48Å; I139-I270 HydrophobicContact CD1-CG2 3.43Å; I139-I270 VanDerWaalsContact CD1-CG2 3.43Å; I139-I270 HydrophobicContact CG2-CD1 4.31Å; I139-E304 WeakPolarHBondContact CD1-O 3.46Å
140L98.8Very high97.5Very high0 Ų031.9 Ų31.90%016%0.16CC..EExtended strand (participates in β ladder)trans-93.6116.6174-55.6-175.6000108.9C99 V128 V132 T154 L160 R164 V165 I166C99-L140 HydrophobicContact CB-CD2 3.68Å; V128-L140 HydrophobicContact CG1-CD1 4.2Å; V132-L140 HydrophobicContact CG2-CD1 4.21Å; L140-T154 HydrophobicContact CB-CG2 4.03Å; L140-T154 HydrophobicContact CD1-CG2 3.54Å; L140-T154 HydrophobicContact CG-CG2 4.44Å; L140-L160 HydrophobicContact CD1-CD1 3.76Å; L140-L160 HydrophobicContact CG-CD1 3.76Å; L140-R164 PolarHBondContact N-O 3.18Å; L140-V165 HydrophobicContact CD1-CG2 4.5Å; L140-I166 PolarHBondContact O-N 2.95Å
141L98.9Very high97.5Very high0 Ų027 Ų270%014%0.139CC..EExtended strand (participates in β ladder)trans-107.8105.7177.917961.1000109.8I98 C99 V100 I101 I143 I166 V263 I266I98-L141 HydrophobicContact CG2-CB 4.27Å; C99-L141 PolarHBondContact O-N 2.93Å; V100-L141 CarbonylContact C-O 3.54Å; V100-L141 WeakPolarHBondContact CA-O 3.41Å; V100-L141 HydrophobicContact CG2-CD2 4.36Å; I101-L141 PolarHBondContact N-O 3.3Å; L141-I143 HydrophobicContact CD1-CD1 4.4Å; L141-I143 HydrophobicContact CD2-CD1 4.25Å; L141-I143 HydrophobicContact CG-CD1 3.87Å; L141-I166 CarbonylContact C-O 3.58Å; L141-I166 WeakPolarHBondContact CA-O 3.44Å; L141-I166 HydrophobicContact CD1-CB 4.31Å; L141-I166 HydrophobicContact CD1-CG2 4.25Å; L141-V263 HydrophobicContact CD2-CG1 4.02Å; L141-I266 HydrophobicContact CD1-CG2 4.2Å; L141-I266 HydrophobicContact CD2-CB 4.36Å; L141-I266 HydrophobicContact CD2-CG2 3.74Å
142V98.8Very high97.5Very high0 Ų028.5 Ų28.50%015%0.145CC..EExtended strand (participates in β ladder)trans-88.3125.1-176.6-173.20000110.3I101 F124 V147 L150 T154 I166 G167 S168I101-V142 HydrophobicContact CD1-CG2 4.44Å; F124-V142 HydrophobicContact CE1-CG1 4.08Å; F124-V142 HydrophobicContact CZ-CG1 4.21Å; V142-V147 HydrophobicContact CB-CG2 4.49Å; V142-V147 HydrophobicContact CG1-CG2 4.36Å; V142-V147 WeakPolarHBondContact O-CG2 3.27Å; V142-L150 HydrophobicContact CG1-CB 4Å; V142-T154 HydrophobicContact CG2-CG2 3.97Å; V142-T154 WeakPolarHBondContact CG2-OG1 3.23Å; V142-I166 PolarHBondContact N-O 3.32Å; V142-G167 CarbonylContact O-C 3.52Å; V142-G167 WeakPolarHBondContact O-CA 3.47Å; V142-S168 PolarHBondContact O-N 2.85Å
143I98.3Very high97.5Very high11 Ų1127.3 Ų27.36%0.05614%0.137CC..  trans-112.5-29.1176-44.7-56.2000110.8V38 V100 I101 T102 L141 I259 V263V38-I143 HydrophobicContact CG1-CG2 3.83Å; V100-I143 HydrophobicContact CG1-CD1 4.23Å; V100-I143 HydrophobicContact CG1-CG1 3.64Å; I101-I143 WeakPolarHBondContact O-CA 3.32Å; I101-I143 WeakPolarHBondContact O-CB 3.43Å; I101-I143 PolarHBondContact O-N 3.3Å; T102-I143 HydrophobicContact CG2-CB 4.14Å; T102-I143 HydrophobicContact CG2-CG1 4.01Å; L141-I143 HydrophobicContact CD1-CD1 4.4Å; L141-I143 HydrophobicContact CD2-CD1 4.25Å; L141-I143 HydrophobicContact CG-CD1 3.87Å; I143-I259 HydrophobicContact CG2-CD1 4.01Å; I143-I259 HydrophobicContact CG2-CG1 3.7Å; I143-V263 HydrophobicContact CD1-CG2 3.34Å; I143-V263 HydrophobicContact CG1-CG2 4.02Å
144S97.1Very high97.5Very high8 Ų820.3 Ų20.36%0.05611%0.107CC..SBendtrans-56.2142-178.7-50.50000111.7I101 T102 A103 V147I101-S144 PolarHBondContact O-N 3.19Å; I101-S144 PolarHBondContact O-OG 2.84Å; T102-S144 VanDerWaalsContact C-OG 3.23Å; A103-S144 PolarHBondContact N-OG 3.25Å; A103-S144 WeakPolarHBondContact O-CB 3.19Å; A103-S144 PolarHBondContact O-OG 3.11Å; S144-V147 WeakPolarHBondContact O-CA 3.45Å; S144-V147 PolarHBondContact O-N 2.98Å
145N94.1Very high97.5Very high81 Ų8118.9 Ų18.943%0.43310%0.101SC..SBendtrans-98.8148.9-176.7-83.1-41.6000113.7N120 V147 L150 H200N120-N145 PolarHBondContact ND2-O 3.03Å; N120-N145 VanDerWaalsContact ND2-O 3.09Å; N145-V147 PolarHBondContact OD1-N 3.24Å; N145-V147 VanDerWaalsContact OD1-N 3.11Å; N145-L150 WeakPolarHBondContact O-CD1 3.28Å; N145-H200 PolarHBondContact OD1-CD2 2.99Å
146P94.2Very high97.5Very high16 Ų1622.5 Ų22.510%0.10412%0.117CC..SBendcis-75.4117.3-1.928.2-31.1000111.9V117 D148 I149 L150V117-P146 HydrophobicContact CG2-CG 3.45Å; V117-P146 VanDerWaalsContact CG2-CG 3.45Å; P146-D148 PolarHBondContact O-N 2.97Å; P146-I149 HydrophobicContact CB-CD1 4.42Å; P146-I149 HydrophobicContact CG-CB 4.22Å; P146-I149 HydrophobicContact CG-CD1 4.01Å; P146-I149 PolarHBondContact O-N 3.31Å; P146-L150 WeakPolarHBondContact O-CG 3.47Å; P146-L150 PolarHBondContact O-N 2.92Å
147V97.1Very high97.5Very high0 Ų020.9 Ų20.90%010%0.104CC..Hα-helixtrans-60.5-42-163.262.90000113.1V142 S144 N145 I149 L150 T151 H200V142-V147 HydrophobicContact CB-CG2 4.49Å; V142-V147 HydrophobicContact CG1-CG2 4.36Å; V142-V147 WeakPolarHBondContact O-CG2 3.27Å; S144-V147 WeakPolarHBondContact O-CA 3.45Å; S144-V147 PolarHBondContact O-N 2.98Å; N145-V147 PolarHBondContact OD1-N 3.24Å; N145-V147 VanDerWaalsContact OD1-N 3.11Å; V147-I149 PolarHBondContact O-N 3.42Å; V147-L150 PolarHBondContact O-N 3.3Å; V147-T151 WeakPolarHBondContact O-CB 3.49Å; V147-T151 PolarHBondContact O-N 3.11Å; V147-T151 PolarHBondContact O-OG1 3.47Å; V147-H200 HydrophobicContact CG1-CB 3.55Å
148D97.7Very high97.6Very high3 Ų315.3 Ų15.32%0.0168%0.075CC..Hα-helixtrans-62.1-44.7-177.4-59.1-61.1000112.3P146 T151 Y152 E199 H200 S281 Y295 L330P146-D148 PolarHBondContact O-N 2.97Å; D148-T151 PolarHBondContact O-N 3.39Å; D148-Y152 PolarHBondContact O-N 2.85Å; D148-E199 WeakPolarHBondContact OD2-CA 3.37Å; D148-H200 PolarHBondContact OD2-N 3Å; D148-S281 WeakPolarHBondContact CA-OG 3.42Å; D148-S281 WeakPolarHBondContact OD1-CB 3.09Å; D148-S281 PolarHBondContact OD1-OG 3.31Å; D148-Y295 WeakPolarHBondContact CB-O 3.09Å; D148-Y295 VanDerWaalsContact O-CB 3.32Å; D148-Y295 WeakPolarHBondContact O-CB 3.35Å; D148-L330 HydrophobicContact CB-CD1 3.89Å; D148-L330 HydrophobicContact CB-CD2 4.11Å
149I96.5Very high97.5Very high2 Ų218.7 Ų18.71%0.0111%0.11CC..Hα-helixtrans-69.9-43.2177.1-62.9167.2000110.2V117 P146 V147 T151 Y152 V153 L330 I333 L337V117-I149 HydrophobicContact CG1-CG2 3.74Å; V117-I149 HydrophobicContact CG2-CD1 4.19Å; V117-I149 HydrophobicContact CG2-CG2 4.5Å; P146-I149 HydrophobicContact CB-CD1 4.42Å; P146-I149 HydrophobicContact CG-CB 4.22Å; P146-I149 HydrophobicContact CG-CD1 4.01Å; P146-I149 PolarHBondContact O-N 3.31Å; V147-I149 PolarHBondContact O-N 3.42Å; I149-T151 VanDerWaalsContact C-N 3.27Å; I149-T151 PolarHBondContact O-N 2.88Å; I149-Y152 WeakPolarHBondContact O-CB 3.46Å; I149-Y152 PolarHBondContact O-N 2.93Å; I149-V153 HydrophobicContact CG2-CG2 4.3Å; I149-V153 WeakPolarHBondContact O-CG2 3.4Å; I149-V153 PolarHBondContact O-N 3.37Å; I149-L330 HydrophobicContact CD1-CD2 4.17Å; I149-L330 HydrophobicContact CG1-CD2 3.97Å; I149-I333 HydrophobicContact CD1-CB 3.95Å; I149-I333 HydrophobicContact CD1-CD1 4.07Å; I149-I333 HydrophobicContact CD1-CG2 3.62Å; I149-L337 HydrophobicContact CG2-CD1 3.57Å
150L97.3Very high97.5Very high0 Ų019 Ų190%011%0.112CC..Hα-helixtrans-69.9-24.1180-65.4-174.2000112.8N120 F124 V142 N145 P146 V147 V153 T154N120-L150 HydrophobicContact CB-CD1 3.88Å; N120-L150 HydrophobicContact CB-CD2 3.68Å; N120-L150 HydrophobicContact CB-CG 4.43Å; F124-L150 HydrophobicContact CE1-CB 3.94Å; F124-L150 HydrophobicContact CE2-CD1 4.03Å; F124-L150 HydrophobicContact CZ-CB 4.04Å; F124-L150 HydrophobicContact CZ-CD1 3.89Å; F124-L150 HydrophobicContact CZ-CG 4.41Å; V142-L150 HydrophobicContact CG1-CB 4Å; N145-L150 WeakPolarHBondContact O-CD1 3.28Å; P146-L150 WeakPolarHBondContact O-CG 3.47Å; P146-L150 PolarHBondContact O-N 2.92Å; V147-L150 PolarHBondContact O-N 3.3Å; L150-V153 HydrophobicContact CD2-CG2 4.38Å; L150-T154 VanDerWaalsContact O-CB 3.3Å; L150-T154 WeakPolarHBondContact O-CB 3.35Å; L150-T154 PolarHBondContact O-N 2.96Å; L150-T154 PolarHBondContact O-OG1 3.4Å
151T98.5Very high97.5Very high0 Ų021.2 Ų21.20%013%0.126CC..Hα-helixtrans-68.6-44.4168.4-56.30000111.1V147 D148 I149 V153 T154 W155 V165 G167 Y295V147-T151 WeakPolarHBondContact O-CB 3.49Å; V147-T151 PolarHBondContact O-N 3.11Å; V147-T151 PolarHBondContact O-OG1 3.47Å; D148-T151 PolarHBondContact O-N 3.39Å; I149-T151 VanDerWaalsContact C-N 3.27Å; I149-T151 PolarHBondContact O-N 2.88Å; T151-V153 PolarHBondContact O-N 2.91Å; T151-T154 PolarHBondContact O-N 3.14Å; T151-W155 WeakPolarHBondContact O-CB 3.46Å; T151-W155 PolarHBondContact O-N 3.37Å; T151-V165 HydrophobicContact CG2-CG1 3.97Å; T151-G167 WeakPolarHBondContact OG1-CA 3.49Å; T151-G167 PolarHBondContact OG1-N 3.13Å; T151-Y295 HydrophobicContact CG2-CD1 3.31Å; T151-Y295 HydrophobicContact CG2-CE1 3.49Å; T151-Y295 VanDerWaalsContact CG2-CE1 3.49Å; T151-Y295 HydrophobicContact CG2-CG 4.19Å
152Y97.8Very high97.4Very high33 Ų3327.5 Ų27.513%0.12915%0.15CC..Hα-helixtrans-58-47171.9171.2-95000112D148 I149 T154 W155 K156 Y295 Q334 I339D148-Y152 PolarHBondContact O-N 2.85Å; I149-Y152 WeakPolarHBondContact O-CB 3.46Å; I149-Y152 PolarHBondContact O-N 2.93Å; Y152-T154 PolarHBondContact O-N 3.43Å; Y152-W155 AromaticContact CD2-CE3 3.96Å; Y152-W155 HydrophobicContact CD2-CE3 3.96Å; Y152-W155 HydrophobicContact CD2-CZ3 4.17Å; Y152-W155 HydrophobicContact CE2-CE3 4.14Å; Y152-W155 AromaticContact CE2-CZ3 3.99Å; Y152-W155 HydrophobicContact CE2-CZ3 3.99Å; Y152-W155 WeakPolarHBondContact O-CB 3.27Å; Y152-W155 PolarHBondContact O-N 3.03Å; Y152-K156 HydrophobicContact CD1-CG 4.43Å; Y152-K156 HydrophobicContact CE1-CG 3.96Å; Y152-K156 HydrophobicContact CE2-CD 4.35Å; Y152-K156 HydrophobicContact CE2-CG 4.05Å; Y152-K156 VanDerWaalsContact CZ-CE 3.43Å; Y152-K156 PolarHBondContact O-N 3.46Å; Y152-K156 VanDerWaalsContact OH-CE 3.24Å; Y152-K156 WeakPolarHBondContact OH-CE 3.37Å; Y152-Y295 HydrophobicContact CD2-CD2 4.09Å; Y152-Y295 HydrophobicContact CD2-CE2 4.28Å; Y152-Y295 HydrophobicContact CG-CD2 4.47Å; Y152-Q334 HydrophobicContact CD1-CG 3.44Å; Y152-Q334 VanDerWaalsContact CD1-CG 3.44Å; Y152-Q334 HydrophobicContact CD2-CG 4.33Å; Y152-Q334 HydrophobicContact CE1-CG 3.34Å; Y152-Q334 VanDerWaalsContact CE2-CD 3.49Å; Y152-Q334 HydrophobicContact CE2-CG 4.25Å; Y152-Q334 HydrophobicContact CG-CG 3.94Å; Y152-Q334 VanDerWaalsContact CZ-CD 3.5Å; Y152-Q334 PolarHBondContact OH-NE2 2.84Å; Y152-I339 HydrophobicContact CD1-CD1 4.03Å; Y152-I339 HydrophobicContact CE1-CD1 3.8Å
153V97.7Very high97.3Very high0 Ų031.2 Ų31.20%017%0.167CC..Hα-helixtrans-58.8-47.8177.1173.50000110.6V121 F124 I149 L150 T151 W155 K156 L157 L337 I339V121-V153 HydrophobicContact CG1-CG1 4.38Å; V121-V153 HydrophobicContact CG2-CG1 4.12Å; V121-V153 HydrophobicContact CG2-CG2 3.76Å; F124-V153 HydrophobicContact CB-CG1 4.1Å; F124-V153 HydrophobicContact CD1-CG1 4.44Å; I149-V153 HydrophobicContact CG2-CG2 4.3Å; I149-V153 WeakPolarHBondContact O-CG2 3.4Å; I149-V153 PolarHBondContact O-N 3.37Å; L150-V153 HydrophobicContact CD2-CG2 4.38Å; T151-V153 PolarHBondContact O-N 2.91Å; V153-W155 VanDerWaalsContact C-N 3.28Å; V153-W155 PolarHBondContact O-N 3.48Å; V153-K156 PolarHBondContact O-N 2.9Å; V153-L157 HydrophobicContact CG1-CD1 3.59Å; V153-L157 HydrophobicContact CG1-CG 4.2Å; V153-L157 WeakPolarHBondContact O-CB 3.4Å; V153-L157 VanDerWaalsContact O-CG 3.27Å; V153-L157 WeakPolarHBondContact O-CG 3.29Å; V153-L157 PolarHBondContact O-N 3.29Å; V153-L337 HydrophobicContact CG2-CD1 4Å; V153-I339 HydrophobicContact CB-CD1 4.03Å; V153-I339 HydrophobicContact CG1-CD1 4.21Å; V153-I339 HydrophobicContact CG2-CD1 3.48Å; V153-I339 VanDerWaalsContact CG2-CD1 3.48Å
154T98.4Very high97.4Very high0 Ų033 Ų330%017%0.173CC..Hα-helixtrans-58.6-42.3177.1-60.10000111.1I101 F124 V128 L140 V142 L150 T151 Y152 L157 S158 V165I101-T154 HydrophobicContact CD1-CG2 4.21Å; F124-T154 VanDerWaalsContact CD1-OG1 3.27Å; F124-T154 WeakPolarHBondContact CD1-OG1 3.48Å; F124-T154 WeakPolarHBondContact CE1-OG1 3.44Å; V128-T154 HydrophobicContact CG1-CG2 4.15Å; V128-T154 HydrophobicContact CG2-CG2 4.1Å; L140-T154 HydrophobicContact CB-CG2 4.03Å; L140-T154 HydrophobicContact CD1-CG2 3.54Å; L140-T154 HydrophobicContact CG-CG2 4.44Å; V142-T154 HydrophobicContact CG2-CG2 3.97Å; V142-T154 WeakPolarHBondContact CG2-OG1 3.23Å; L150-T154 VanDerWaalsContact O-CB 3.3Å; L150-T154 WeakPolarHBondContact O-CB 3.35Å; L150-T154 PolarHBondContact O-N 2.96Å; L150-T154 PolarHBondContact O-OG1 3.4Å; T151-T154 PolarHBondContact O-N 3.14Å; Y152-T154 PolarHBondContact O-N 3.43Å; T154-L157 PolarHBondContact O-N 3.16Å; T154-S158 WeakPolarHBondContact O-CB 3.28Å; T154-S158 PolarHBondContact O-N 3.09Å; T154-S158 PolarHBondContact O-OG 3.12Å; T154-V165 HydrophobicContact CG2-CG1 3.73Å
155W98.2Very high97.4Very high38 Ų3832.6 Ų32.614%0.14417%0.17CC..Hα-helixtrans-61.9-50.4179.1171.353.4000111.4T151 Y152 V153 L157 S158 G159 L160 V165 E293 Y295T151-W155 WeakPolarHBondContact O-CB 3.46Å; T151-W155 PolarHBondContact O-N 3.37Å; Y152-W155 AromaticContact CD2-CE3 3.96Å; Y152-W155 HydrophobicContact CD2-CE3 3.96Å; Y152-W155 HydrophobicContact CD2-CZ3 4.17Å; Y152-W155 HydrophobicContact CE2-CE3 4.14Å; Y152-W155 AromaticContact CE2-CZ3 3.99Å; Y152-W155 HydrophobicContact CE2-CZ3 3.99Å; Y152-W155 WeakPolarHBondContact O-CB 3.27Å; Y152-W155 PolarHBondContact O-N 3.03Å; V153-W155 VanDerWaalsContact C-N 3.28Å; V153-W155 PolarHBondContact O-N 3.48Å; W155-L157 PolarHBondContact O-N 3.21Å; W155-S158 PolarHBondContact O-N 2.87Å; W155-S158 PolarHBondContact O-OG 3.2Å; W155-G159 PolarHBondContact O-N 3.37Å; W155-L160 VanDerWaalsContact CD1-O 3.26Å; W155-L160 PolarHBondContact NE1-O 3.25Å; W155-V165 HydrophobicContact CB-CB 4.12Å; W155-V165 HydrophobicContact CB-CG1 3.89Å; W155-V165 HydrophobicContact CB-CG2 4.38Å; W155-E293 WeakPolarHBondContact CH2-OE1 3.38Å; W155-E293 WeakPolarHBondContact CH2-OE2 3.4Å; W155-E293 WeakPolarHBondContact CZ3-OE2 3.1Å; W155-Y295 HydrophobicContact CB-CE2 4.26Å; W155-Y295 WeakPolarHBondContact CB-OH 3.4Å; W155-Y295 HydrophobicContact CD2-CE2 4.05Å; W155-Y295 AromaticContact CE3-CE2 3.61Å; W155-Y295 HydrophobicContact CE3-CE2 3.61Å; W155-Y295 HydrophobicContact CG-CE2 4.33Å; W155-Y295 HydrophobicContact CZ3-CE2 4.26Å
156K97.4Very high97.6Very high77 Ų7728.8 Ų28.834%0.33515%0.15SC..Hα-helixtrans-62-43.6177.9-67.1-59.5-174-170.60112.8Y152 V153 E293 I339Y152-K156 HydrophobicContact CD1-CG 4.43Å; Y152-K156 HydrophobicContact CE1-CG 3.96Å; Y152-K156 HydrophobicContact CE2-CD 4.35Å; Y152-K156 HydrophobicContact CE2-CG 4.05Å; Y152-K156 VanDerWaalsContact CZ-CE 3.43Å; Y152-K156 PolarHBondContact O-N 3.46Å; Y152-K156 VanDerWaalsContact OH-CE 3.24Å; Y152-K156 WeakPolarHBondContact OH-CE 3.37Å; V153-K156 PolarHBondContact O-N 2.9Å; K156-E293 IonicContact NZ-OE2 3.02Å; K156-E293 PolarHBondContact NZ-OE2 2.87Å; K156-I339 HydrophobicContact CB-CG2 3.63Å; K156-I339 HydrophobicContact CG-CG2 4.41Å
157L97.7Very high97.9Very high36 Ų3628 Ų2819%0.18815%0.145CC..Hα-helixtrans-73.5-27.8-179.1-67176.6000113.9F124 R125 V128 V153 T154 W155 I339F124-L157 HydrophobicContact CB-CD1 3.87Å; R125-L157 HydrophobicContact CG-CD1 4.09Å; R125-L157 HydrophobicContact CG-CD2 3.89Å; V128-L157 HydrophobicContact CB-CB 4.12Å; V128-L157 HydrophobicContact CG1-CB 3.92Å; V153-L157 HydrophobicContact CG1-CD1 3.59Å; V153-L157 HydrophobicContact CG1-CG 4.2Å; V153-L157 WeakPolarHBondContact O-CB 3.4Å; V153-L157 VanDerWaalsContact O-CG 3.27Å; V153-L157 WeakPolarHBondContact O-CG 3.29Å; V153-L157 PolarHBondContact O-N 3.29Å; T154-L157 PolarHBondContact O-N 3.16Å; W155-L157 PolarHBondContact O-N 3.21Å; L157-I339 HydrophobicContact CD2-CG2 4.04Å; L157-I339 HydrophobicContact CG-CG2 4.29Å
158S98.1Very high97.9Very high12 Ų1228.2 Ų28.28%0.08415%0.147CC..Hα-helixtrans-81.7-30-176.167.60000113.5T154 W155 L160T154-S158 WeakPolarHBondContact O-CB 3.28Å; T154-S158 PolarHBondContact O-N 3.09Å; T154-S158 PolarHBondContact O-OG 3.12Å; W155-S158 PolarHBondContact O-N 2.87Å; W155-S158 PolarHBondContact O-OG 3.2Å; S158-L160 PolarHBondContact O-N 3.38Å; S158-L160 PolarHBondContact OG-N 3.18Å
159G97.2Very high97.9Very high71 Ų7128.2 Ų28.273%0.73215%0.147SC*.  trans65.48.6-169.400000114W155W155-G159 PolarHBondContact O-N 3.37Å
160L98.1Very high98Very high12 Ų1228.1 Ų28.16%0.06315%0.146CC..  trans-74.6154.6177.1-67.3-178.7000110.8V132 L140 W155 S158 V165V132-L160 HydrophobicContact CG1-CD2 4.18Å; V132-L160 HydrophobicContact CG2-CD1 4.14Å; V132-L160 HydrophobicContact CG2-CG 4.21Å; L140-L160 HydrophobicContact CD1-CD1 3.76Å; L140-L160 HydrophobicContact CG-CD1 3.76Å; W155-L160 VanDerWaalsContact CD1-O 3.26Å; W155-L160 PolarHBondContact NE1-O 3.25Å; S158-L160 PolarHBondContact O-N 3.38Å; S158-L160 PolarHBondContact OG-N 3.18Å; L160-V165 HydrophobicContact CB-CG2 3.89Å; L160-V165 HydrophobicContact CD1-CG2 4.39Å
161P97.9Very high98.1Very high46 Ų4629.1 Ų29.130%0.29915%0.152SC..  trans-66.1148.7173.134-39000110.1E163 R164P161-E163 VanDerWaalsContact CB-OE1 3.3Å; P161-E163 WeakPolarHBondContact CB-OE1 3.26Å; P161-E163 PolarHBondContact O-N 3.33Å; P161-E163 VanDerWaalsContact O-N 3.11Å; P161-R164 VanDerWaalsContact CD-NH2 3.32Å; P161-R164 HydrophobicContact CG-CB 4.47Å; P161-R164 HydrophobicContact CG-CG 4.32Å; P161-R164 PolarHBondContact O-N 3.28Å
162R97Very high98.1Very high132 Ų13230 Ų3050%0.49816%0.156SC..G310 helixtrans-58.3-30-168.164.4179.4179.7172.8-0.2113.8R164 V165R162-R164 PolarHBondContact O-N 3.25Å; R162-V165 PolarHBondContact O-N 2.8Å
163E98Very high98.1Very high77 Ų7728.7 Ų28.736%0.3615%0.152SC..G310 helixtrans-67.7-18.4178.662.4-84.1-16800113.8P161 G306 I307P161-E163 VanDerWaalsContact CB-OE1 3.3Å; P161-E163 WeakPolarHBondContact CB-OE1 3.26Å; P161-E163 PolarHBondContact O-N 3.33Å; P161-E163 VanDerWaalsContact O-N 3.11Å; E163-G306 CarbonylContact O-C 3.49Å; E163-G306 WeakPolarHBondContact O-CA 3.39Å; E163-I307 HydrophobicContact CB-CB 4.17Å; E163-I307 VanDerWaalsContact CB-O 3.25Å; E163-I307 WeakPolarHBondContact CB-O 3.43Å; E163-I307 PolarHBondContact O-N 3.18Å
164R98.6Very high98.1Very high49 Ų4928.9 Ų28.919%0.18515%0.153CC..G310 helixtrans-100.35.5178.4-67.6-164.5-71.3145.2-9.8113.8P136 N137 A138 I139 L140 P161 R162 G305P136-R164 PolarHBondContact O-NH1 3.36Å; N137-R164 VanDerWaalsContact CA-NH1 3.31Å; A138-R164 PolarHBondContact O-NH1 2.83Å; I139-R164 CarbonylContact C-O 3.4Å; I139-R164 WeakPolarHBondContact CA-O 3.19Å; I139-R164 HydrophobicContact CG1-CB 4.39Å; I139-R164 HydrophobicContact CG1-CG 4.2Å; L140-R164 PolarHBondContact N-O 3.18Å; P161-R164 VanDerWaalsContact CD-NH2 3.32Å; P161-R164 HydrophobicContact CG-CB 4.47Å; P161-R164 HydrophobicContact CG-CG 4.32Å; P161-R164 PolarHBondContact O-N 3.28Å; R162-R164 PolarHBondContact O-N 3.25Å; R164-G305 WeakPolarHBondContact CG-O 3.43Å
165V98.7Very high98.1Very high0 Ų031.2 Ų31.20%017%0.172CC..EExtended strand (participates in β ladder)trans-124.6110.3176.1-174.70000109.2L140 T151 T154 W155 L160 R162L140-V165 HydrophobicContact CD1-CG2 4.5Å; T151-V165 HydrophobicContact CG2-CG1 3.97Å; T154-V165 HydrophobicContact CG2-CG1 3.73Å; W155-V165 HydrophobicContact CB-CB 4.12Å; W155-V165 HydrophobicContact CB-CG1 3.89Å; W155-V165 HydrophobicContact CB-CG2 4.38Å; L160-V165 HydrophobicContact CB-CG2 3.89Å; L160-V165 HydrophobicContact CD1-CG2 4.39Å; R162-V165 PolarHBondContact O-N 2.8Å
166I98.6Very high98.1Very high0 Ų030.9 Ų30.90%017%0.171CC..EExtended strand (participates in β ladder)trans-132.1134.7-163.9-48.6177.9000108.1I139 L140 L141 V142 L280 L302 I307I139-I166 HydrophobicContact CG2-CD1 3.66Å; I139-I166 HydrophobicContact CG2-CG1 4.18Å; L140-I166 PolarHBondContact O-N 2.95Å; L141-I166 CarbonylContact C-O 3.58Å; L141-I166 WeakPolarHBondContact CA-O 3.44Å; L141-I166 HydrophobicContact CD1-CB 4.31Å; L141-I166 HydrophobicContact CD1-CG2 4.25Å; V142-I166 PolarHBondContact N-O 3.32Å; I166-L280 HydrophobicContact CG2-CB 3.81Å; I166-L280 HydrophobicContact CG2-CD1 3.53Å; I166-L280 HydrophobicContact CG2-CG 4.19Å; I166-L302 HydrophobicContact CD1-CD2 3.57Å; I166-I307 HydrophobicContact CD1-CD1 3.97Å; I166-I307 HydrophobicContact CD1-CG1 3.8Å; I166-I307 HydrophobicContact CG1-CD1 4.28Å; I166-I307 HydrophobicContact CG1-CG1 3.92Å; I166-I307 HydrophobicContact CG2-CD1 4.23Å
167G98.8Very high98.1Very high0 Ų027.2 Ų27.20%016%0.155CC..EExtended strand (participates in β ladder)trans-98.1148.616900000111.4V142 T151 G169 L280 S281V142-G167 CarbonylContact O-C 3.52Å; V142-G167 WeakPolarHBondContact O-CA 3.47Å; T151-G167 WeakPolarHBondContact OG1-CA 3.49Å; T151-G167 PolarHBondContact OG1-N 3.13Å; G167-G169 PolarHBondContact O-N 3.06Å; G167-G169 VanDerWaalsContact O-N 3.13Å; G167-L280 WeakPolarHBondContact O-CB 3.35Å; G167-S281 PolarHBondContact N-O 3.47Å; G167-S281 PolarHBondContact O-N 3.03Å
168S98.5Very high98.2Very high5 Ų529.1 Ų29.14%0.03516%0.16CC..  trans-57.7-27.3174.157.60000113V142 N171V142-S168 PolarHBondContact O-N 2.85Å; S168-N171 WeakPolarHBondContact O-CB 3.36Å; S168-N171 PolarHBondContact O-N 3.44Å
169G98.1Very high98.2Very high2 Ų233.7 Ų33.72%0.02118%0.178CC..THydrogen-bonded Turntrans52.7-142.2171.300000113G167 N171 S297G167-G169 PolarHBondContact O-N 3.06Å; G167-G169 VanDerWaalsContact O-N 3.13Å; G169-N171 VanDerWaalsContact C-N 3.27Å; G169-N171 PolarHBondContact O-N 2.9Å; G169-S297 WeakPolarHBondContact CA-OG 3.34Å
170T98.5Very high98.2Very high0 Ų031.7 Ų31.70%015%0.151CC..THydrogen-bonded Turntrans-88.319.9-177.959.60000113.8L172 D173 S174 I196 H200 A279 S297T170-L172 VanDerWaalsContact C-N 3.35Å; T170-L172 PolarHBondContact O-N 3.1Å; T170-D173 WeakPolarHBondContact CA-OD2 3.16Å; T170-D173 PolarHBondContact O-N 3.06Å; T170-S174 WeakPolarHBondContact O-CB 3.27Å; T170-S174 PolarHBondContact O-N 2.84Å; T170-S174 PolarHBondContact O-OG 3.33Å; T170-I196 VanDerWaalsContact CB-O 3.26Å; T170-I196 WeakPolarHBondContact CB-O 3.38Å; T170-I196 HydrophobicContact CG2-CG2 3.93Å; T170-I196 PolarHBondContact OG1-O 3.49Å; T170-H200 HydrophobicContact CG2-CB 4.41Å; T170-A279 CarbonylContact C-O 3.55Å; T170-A279 PolarHBondContact N-O 2.84Å; T170-A279 WeakPolarHBondContact OG1-CB 3.49Å; T170-S297 PolarHBondContact N-OG 3.22Å; T170-S297 WeakPolarHBondContact OG1-CB 3.4Å; T170-S297 PolarHBondContact OG1-OG 3.21Å
171N98.5Very high98.1Very high22 Ų2231.1 Ų31.112%0.11815%0.148CC..Hα-helixtrans-63.4-43.7179.6-167.762.6000111.2S168 G169 A175 S262 F278 A279 L280S168-N171 WeakPolarHBondContact O-CB 3.36Å; S168-N171 PolarHBondContact O-N 3.44Å; G169-N171 VanDerWaalsContact C-N 3.27Å; G169-N171 PolarHBondContact O-N 2.9Å; N171-A175 PolarHBondContact O-N 3.35Å; N171-S262 PolarHBondContact ND2-OG 2.85Å; N171-F278 WeakPolarHBondContact OD1-CD1 3.28Å; N171-A279 WeakPolarHBondContact CA-O 3.22Å; N171-A279 WeakPolarHBondContact CB-O 3.42Å; N171-A279 PolarHBondContact N-O 3.07Å; N171-L280 HydrophobicContact CB-CD2 4.1Å
172L98.1Very high98.1Very high17 Ų1729.3 Ų29.39%0.08914%0.136CC..Hα-helixtrans-68.9-38175.9178.358.6000111.4T170 A175 R176 A258 I259T170-L172 VanDerWaalsContact C-N 3.35Å; T170-L172 PolarHBondContact O-N 3.1Å; L172-A175 WeakPolarHBondContact O-CB 3.33Å; L172-A175 PolarHBondContact O-N 3.21Å; L172-R176 WeakPolarHBondContact O-CG 3.44Å; L172-R176 PolarHBondContact O-N 3.23Å; L172-A258 HydrophobicContact CD1-CB 3.63Å; L172-I259 HydrophobicContact CD2-CB 4.03Å; L172-I259 HydrophobicContact CD2-CD1 4.42Å
173D98Very high98.1Very high6 Ų628.7 Ų28.73%0.03214%0.139CC..Hα-helixtrans-65.5-40.6178-54.6-80.2000111.7T170 A175 R176 L177 I196 H200 V241T170-D173 WeakPolarHBondContact CA-OD2 3.16Å; T170-D173 PolarHBondContact O-N 3.06Å; D173-A175 VanDerWaalsContact C-N 3.33Å; D173-A175 PolarHBondContact O-N 3Å; D173-R176 WeakPolarHBondContact O-CB 3.33Å; D173-R176 PolarHBondContact O-N 3.18Å; D173-R176 IonicContact OD1-NH1 3.44Å; D173-R176 PolarHBondContact OD1-NH1 2.92Å; D173-L177 PolarHBondContact O-N 3.17Å; D173-I196 HydrophobicContact CB-CB 4.02Å; D173-I196 HydrophobicContact CB-CG1 4.17Å; D173-I196 HydrophobicContact CB-CG2 3.94Å; D173-H200 IonicContact OD1-CE1 3.99Å; D173-H200 IonicContact OD1-ND1 2.65Å; D173-H200 IonicContact OD2-CE1 3.01Å; D173-H200 PolarHBondContact OD2-CE1 2.9Å; D173-H200 VanDerWaalsContact OD2-CE1 3.25Å; D173-H200 IonicContact OD2-CG 2.76Å; D173-H200 IonicContact OD2-ND1 2.62Å; D173-H200 PolarHBondContact OD2-ND1 3.3Å; D173-V241 HydrophobicContact CB-CG1 3.71Å; D173-V241 WeakPolarHBondContact O-CG1 3.4Å
174S98.4Very high98Very high5 Ų529.6 Ų29.64%0.03514%0.139CC..Hα-helixtrans-62.5-40.7171.6-61.20000111.3T170 L177 R178 I196T170-S174 WeakPolarHBondContact O-CB 3.27Å; T170-S174 PolarHBondContact O-N 2.84Å; T170-S174 PolarHBondContact O-OG 3.33Å; S174-L177 PolarHBondContact O-N 2.61Å; S174-R178 VanDerWaalsContact O-CG 3.22Å; S174-R178 WeakPolarHBondContact O-CG 3.44Å; S174-R178 PolarHBondContact O-N 2.74Å; S174-I196 PolarHBondContact OG-N 3.49Å; S174-I196 PolarHBondContact OG-O 3.3Å
175A98.1Very high97.9Very high48 Ų4831 Ų3140%0.39715%0.147SC..Hα-helixtrans-64.1-40.1174.600000112.4N171 L172 D173 R178 F179N171-A175 PolarHBondContact O-N 3.35Å; L172-A175 WeakPolarHBondContact O-CB 3.33Å; L172-A175 PolarHBondContact O-N 3.21Å; D173-A175 VanDerWaalsContact C-N 3.33Å; D173-A175 PolarHBondContact O-N 3Å; A175-R178 PolarHBondContact O-N 3.13Å; A175-F179 PolarHBondContact O-N 3.25Å
176R97.8Very high97.9Very high31 Ų3138.3 Ų38.312%0.11719%0.185CC..Hα-helixtrans-62.9-45173.7-72.9169.2173.1160.8-5.1111.6L172 D173 R178 F179 L180 V241L172-R176 WeakPolarHBondContact O-CG 3.44Å; L172-R176 PolarHBondContact O-N 3.23Å; D173-R176 WeakPolarHBondContact O-CB 3.33Å; D173-R176 PolarHBondContact O-N 3.18Å; D173-R176 IonicContact OD1-NH1 3.44Å; D173-R176 PolarHBondContact OD1-NH1 2.92Å; R176-R178 VanDerWaalsContact C-N 3.34Å; R176-R178 PolarHBondContact O-N 3.39Å; R176-F179 WeakPolarHBondContact O-CB 3.47Å; R176-F179 PolarHBondContact O-N 3.38Å; R176-L180 WeakPolarHBondContact O-CG 3.41Å; R176-L180 PolarHBondContact O-N 3.22Å; R176-V241 HydrophobicContact CB-CG1 4.18Å; R176-V241 HydrophobicContact CB-CG2 4.06Å
177L98Very high97.8Very high0 Ų041.4 Ų41.40%020%0.201CC..Hα-helixtrans-56.9-50.2175.4178.564.1000110.4D173 S174 F179 L180 M181 I196 M211 L237 V241D173-L177 PolarHBondContact O-N 3.17Å; S174-L177 PolarHBondContact O-N 2.61Å; L177-F179 VanDerWaalsContact C-N 3.3Å; L177-F179 PolarHBondContact O-N 2.95Å; L177-L180 PolarHBondContact O-N 2.91Å; L177-L180 VanDerWaalsContact O-N 3.16Å; L177-M181 HydrophobicContact CD1-CG 4.49Å; L177-M181 HydrophobicContact CG-CG 4.46Å; L177-M181 HydrophobicContact CG-SD 4.18Å; L177-M181 VanDerWaalsContact O-CG 3.28Å; L177-M181 WeakPolarHBondContact O-CG 3.34Å; L177-M181 PolarHBondContact O-N 3.18Å; L177-I196 HydrophobicContact CB-CD1 4.3Å; L177-I196 HydrophobicContact CB-CG1 4.08Å; L177-I196 HydrophobicContact CD2-CD1 3.73Å; L177-I196 HydrophobicContact CD2-CG1 4.07Å; L177-I196 HydrophobicContact CG-CD1 4.43Å; L177-M211 HydrophobicContact CD2-SD 4.26Å; L177-L237 HydrophobicContact CD1-CB 4.1Å; L177-L237 HydrophobicContact CD1-CD2 4.49Å; L177-V241 HydrophobicContact CB-CG2 3.92Å; L177-V241 HydrophobicContact CD1-CG2 4.39Å
178R98.2Very high97.8Very high77 Ų7744.6 Ų44.629%0.29122%0.223SC..Hα-helixtrans-61.2-37.5179.4-69.3171.463.2-175.16.2112.7S174 A175 R176 S182 A189 S190 C192S174-R178 VanDerWaalsContact O-CG 3.22Å; S174-R178 WeakPolarHBondContact O-CG 3.44Å; S174-R178 PolarHBondContact O-N 2.74Å; A175-R178 PolarHBondContact O-N 3.13Å; R176-R178 VanDerWaalsContact C-N 3.34Å; R176-R178 PolarHBondContact O-N 3.39Å; R178-S182 WeakPolarHBondContact O-CB 3.4Å; R178-S182 PolarHBondContact O-N 2.87Å; R178-A189 PolarHBondContact NE-O 3.48Å; R178-A189 PolarHBondContact NH2-O 3.36Å; R178-S190 VanDerWaalsContact NH2-CA 3.28Å; R178-S190 PolarHBondContact NH2-O 3.25Å; R178-C192 HydrophobicContact CB-CB 4.4Å; R178-C192 WeakPolarHBondContact CG-O 3.3Å; R178-C192 PolarHBondContact NE-O 3.5Å; R178-C192 PolarHBondContact NH2-O 3.08Å
179F98.3Very high97.8Very high108 Ų10845.9 Ų45.947%0.47423%0.234SC..Hα-helixtrans-62-50.1172.2167.2-103.9000111.6A175 R176 L177 M181 S182 Q183A175-F179 PolarHBondContact O-N 3.25Å; R176-F179 WeakPolarHBondContact O-CB 3.47Å; R176-F179 PolarHBondContact O-N 3.38Å; L177-F179 VanDerWaalsContact C-N 3.3Å; L177-F179 PolarHBondContact O-N 2.95Å; F179-M181 VanDerWaalsContact C-N 3.32Å; F179-M181 PolarHBondContact O-N 3.44Å; F179-S182 WeakPolarHBondContact O-CA 3.44Å; F179-S182 VanDerWaalsContact O-CB 3.24Å; F179-S182 WeakPolarHBondContact O-CB 3.48Å; F179-S182 PolarHBondContact O-N 3.47Å; F179-S182 PolarHBondContact O-OG 3.3Å; F179-Q183 HydrophobicContact CD2-CG 4.44Å; F179-Q183 HydrophobicContact CE1-CG 4.11Å; F179-Q183 HydrophobicContact CE2-CG 3.95Å; F179-Q183 HydrophobicContact CZ-CG 3.77Å; F179-Q183 WeakPolarHBondContact O-CG 3.16Å; F179-Q183 PolarHBondContact O-N 2.86Å
180L97.5Very high97.7Very high29 Ų2949.4 Ų49.415%0.15226%0.259CS..Hα-helixtrans-64.3-36.4-179.9-64.5171.5000112.5R176 L177 S182 Q183 R184 L237 K240 V241R176-L180 WeakPolarHBondContact O-CG 3.41Å; R176-L180 PolarHBondContact O-N 3.22Å; L177-L180 PolarHBondContact O-N 2.91Å; L177-L180 VanDerWaalsContact O-N 3.16Å; L180-S182 VanDerWaalsContact C-N 3.34Å; L180-Q183 PolarHBondContact O-N 3.41Å; L180-R184 PolarHBondContact O-N 3.23Å; L180-L237 HydrophobicContact CB-CD1 4.39Å; L180-L237 HydrophobicContact CB-CD2 4.18Å; L180-L237 HydrophobicContact CB-CG 3.76Å; L180-L237 HydrophobicContact CD1-CG 4.31Å; L180-K240 HydrophobicContact CD1-CB 3.73Å; L180-V241 HydrophobicContact CD1-CG2 3.83Å
181M97.3Very high97.7Very high0 Ų052 Ų520%028%0.277CS..Hα-helixtrans-59-47.4169.3-68.1171.470.900110.8L177 F179 Q183 R184 F185 C192 M211 L218 W234 L237L177-M181 HydrophobicContact CD1-CG 4.49Å; L177-M181 HydrophobicContact CG-CG 4.46Å; L177-M181 HydrophobicContact CG-SD 4.18Å; L177-M181 VanDerWaalsContact O-CG 3.28Å; L177-M181 WeakPolarHBondContact O-CG 3.34Å; L177-M181 PolarHBondContact O-N 3.18Å; F179-M181 VanDerWaalsContact C-N 3.32Å; F179-M181 PolarHBondContact O-N 3.44Å; M181-Q183 PolarHBondContact O-N 3.46Å; M181-R184 PolarHBondContact O-N 3.29Å; M181-F185 VanDerWaalsContact O-CD2 3.26Å; M181-F185 WeakPolarHBondContact O-CD2 3.43Å; M181-F185 PolarHBondContact O-N 2.91Å; M181-C192 HydrophobicContact CB-CB 3.92Å; M181-C192 HydrophobicContact CE-CB 4.01Å; M181-C192 HydrophobicContact SD-CB 4.17Å; M181-M211 HydrophobicContact CE-CE 3.64Å; M181-M211 HydrophobicContact CG-CE 3.83Å; M181-M211 HydrophobicContact SD-CE 3.52Å; M181-M211 VanDerWaalsContact SD-CE 3.52Å; M181-L218 HydrophobicContact CE-CD1 4.12Å; M181-W234 HydrophobicContact CG-CZ3 4.23Å; M181-L237 HydrophobicContact CG-CD2 4.14Å
182S97.8Very high97.7Very high7 Ų751 Ų515%0.04927%0.272CS..Hα-helixtrans-58-37.3179.4127.20000112.3R178 F179 L180 N186 I187R178-S182 WeakPolarHBondContact O-CB 3.4Å; R178-S182 PolarHBondContact O-N 2.87Å; F179-S182 WeakPolarHBondContact O-CA 3.44Å; F179-S182 VanDerWaalsContact O-CB 3.24Å; F179-S182 WeakPolarHBondContact O-CB 3.48Å; F179-S182 PolarHBondContact O-N 3.47Å; F179-S182 PolarHBondContact O-OG 3.3Å; L180-S182 VanDerWaalsContact C-N 3.34Å; S182-N186 VanDerWaalsContact O-CA 3.28Å; S182-N186 WeakPolarHBondContact O-CA 3.49Å; S182-N186 PolarHBondContact O-N 3.21Å; S182-I187 WeakPolarHBondContact CB-O 3.35Å; S182-I187 PolarHBondContact O-N 3.38Å; S182-I187 VanDerWaalsContact O-N 3.12Å; S182-I187 PolarHBondContact OG-O 3.11Å
183Q97.4Very high97.7Very high120 Ų12053.8 Ų53.856%0.56128%0.284SS*.Hα-helixtrans-67.1-40.4174.6-62.2-53.5-73.500112.1F179 L180 M181F179-Q183 HydrophobicContact CD2-CG 4.44Å; F179-Q183 HydrophobicContact CE1-CG 4.11Å; F179-Q183 HydrophobicContact CE2-CG 3.95Å; F179-Q183 HydrophobicContact CZ-CG 3.77Å; F179-Q183 WeakPolarHBondContact O-CG 3.16Å; F179-Q183 PolarHBondContact O-N 2.86Å; L180-Q183 PolarHBondContact O-N 3.41Å; M181-Q183 PolarHBondContact O-N 3.46Å
184R95.9Very high97.7Very high96 Ų9653.6 Ų53.636%0.36228%0.284SS..Hα-helixtrans-65.2-38.4176.6-74.5-168.6173-165.51.3112.7L180 M181 E232 M233 W234 L237L180-R184 PolarHBondContact O-N 3.23Å; M181-R184 PolarHBondContact O-N 3.29Å; R184-E232 PolarHBondContact NH1-O 3.24Å; R184-M233 PolarHBondContact NH2-O 3.45Å; R184-M233 VanDerWaalsContact NH2-O 3.13Å; R184-W234 HydrophobicContact CB-CH2 4.46Å; R184-W234 VanDerWaalsContact NH1-CD2 3.31Å; R184-L237 VanDerWaalsContact NH2-CD1 3.29Å
185F95.8Very high97.7Very high79 Ų7956.6 Ų56.635%0.34629%0.294SS..Hα-helixtrans-94.6-6.2-177.5-69.1-67.8000114.3M181 I187 I213 L218 W234M181-F185 VanDerWaalsContact O-CD2 3.26Å; M181-F185 WeakPolarHBondContact O-CD2 3.43Å; M181-F185 PolarHBondContact O-N 2.91Å; F185-I187 VanDerWaalsContact C-N 3.34Å; F185-I187 HydrophobicContact CB-CD1 4.1Å; F185-I187 HydrophobicContact CB-CG1 3.89Å; F185-I187 PolarHBondContact O-N 3.28Å; F185-I213 HydrophobicContact CB-CD1 4.29Å; F185-I213 HydrophobicContact CD1-CD1 4.12Å; F185-I213 HydrophobicContact CD2-CD1 3.34Å; F185-I213 HydrophobicContact CE1-CD1 4.28Å; F185-I213 HydrophobicContact CE2-CD1 3.5Å; F185-I213 VanDerWaalsContact CE2-CD1 3.5Å; F185-I213 HydrophobicContact CG-CD1 3.67Å; F185-I213 HydrophobicContact CZ-CD1 3.99Å; F185-L218 HydrophobicContact CE2-CD1 3.91Å; F185-L218 HydrophobicContact CE2-CD2 4.48Å; F185-L218 HydrophobicContact CZ-CD1 3.9Å; F185-L218 HydrophobicContact CZ-CD2 3.9Å; F185-W234 HydrophobicContact CD2-CH2 4.31Å; F185-W234 AromaticContact CE2-CH2 3.37Å; F185-W234 HydrophobicContact CE2-CH2 3.37Å; F185-W234 HydrophobicContact CE2-CZ2 4.08Å; F185-W234 HydrophobicContact CE2-CZ3 4.29Å; F185-W234 AromaticContact CZ-CH2 3.56Å; F185-W234 HydrophobicContact CZ-CH2 3.56Å; F185-W234 AromaticContact CZ-CZ2 3.77Å; F185-W234 HydrophobicContact CZ-CZ2 3.77Å
186N97.6Very high97.7Very high152 Ų15254.3 Ų54.381%0.81328%0.275SS*.THydrogen-bonded Turntrans51.448.4-172.6-168.335.1000113.4S182S182-N186 VanDerWaalsContact O-CA 3.28Å; S182-N186 WeakPolarHBondContact O-CA 3.49Å; S182-N186 PolarHBondContact O-N 3.21Å
187I98.1Very high97.8Very high66 Ų6652.9 Ų52.934%0.33827%0.27SS..SBendtrans-131.8172.717764.2176.4000111S182 F185 I213S182-I187 WeakPolarHBondContact CB-O 3.35Å; S182-I187 PolarHBondContact O-N 3.38Å; S182-I187 VanDerWaalsContact O-N 3.12Å; S182-I187 PolarHBondContact OG-O 3.11Å; F185-I187 VanDerWaalsContact C-N 3.34Å; F185-I187 HydrophobicContact CB-CD1 4.1Å; F185-I187 HydrophobicContact CB-CG1 3.89Å; F185-I187 PolarHBondContact O-N 3.28Å; I187-I213 HydrophobicContact CD1-CD1 3.67Å; I187-I213 HydrophobicContact CD1-CG1 4.16Å; I187-I213 HydrophobicContact CD1-CG2 4.01Å
188S98Very high97.8Very high66 Ų6652.9 Ų52.946%0.46227%0.27SS..  trans-62.9135.9174.2-178.90000111.8S190 S191S188-S190 PolarHBondContact O-N 3.41Å; S188-S190 VanDerWaalsContact O-N 3.13Å; S188-S190 PolarHBondContact OG-N 3.09Å; S188-S190 PolarHBondContact OG-OG 3.43Å; S188-S191 WeakPolarHBondContact O-CB 3.19Å; S188-S191 PolarHBondContact O-N 3.21Å
189A97.9Very high97.7Very high32 Ų3249.4 Ų49.426%0.26426%0.257SS..G310 helixtrans-59.3-24.4172.700000112.5R178 S191 C192R178-A189 PolarHBondContact NE-O 3.48Å; R178-A189 PolarHBondContact NH2-O 3.36Å; A189-S191 PolarHBondContact O-N 2.96Å; A189-C192 PolarHBondContact O-N 3.22Å
190S97.3Very high97.6Very high77 Ų7746.2 Ų46.254%0.53824%0.243SC..G310 helixtrans-63.9-27.217463.10000112.9R178 S188R178-S190 VanDerWaalsContact NH2-CA 3.28Å; R178-S190 PolarHBondContact NH2-O 3.25Å; S188-S190 PolarHBondContact O-N 3.41Å; S188-S190 VanDerWaalsContact O-N 3.13Å; S188-S190 PolarHBondContact OG-N 3.09Å; S188-S190 PolarHBondContact OG-OG 3.43Å
191S98.2Very high97.2Very high55 Ų5545.9 Ų45.939%0.38525%0.247SC..G310 helixtrans-94.1-5.9-179.6-56.30000113.7S188 A189S188-S191 WeakPolarHBondContact O-CB 3.19Å; S188-S191 PolarHBondContact O-N 3.21Å; A189-S191 PolarHBondContact O-N 2.96Å
192C98.3Very high96.8Very high0 Ų050.7 Ų50.70%027%0.273CS..EExtended strand (participates in β ladder)trans-93.2129.3170.3-62.10000109.6R178 M181 A189R178-C192 HydrophobicContact CB-CB 4.4Å; R178-C192 WeakPolarHBondContact CG-O 3.3Å; R178-C192 PolarHBondContact NE-O 3.5Å; R178-C192 PolarHBondContact NH2-O 3.08Å; M181-C192 HydrophobicContact CB-CB 3.92Å; M181-C192 HydrophobicContact CE-CB 4.01Å; M181-C192 HydrophobicContact SD-CB 4.17Å; A189-C192 PolarHBondContact O-N 3.22Å
193H98.3Very high96.6Very high76 Ų7652 Ų5235%0.35228%0.281SS..EExtended strand (participates in β ladder)trans-116.5117.1176.9-55.8-71.1000109.9M211 N212H193-M211 WeakPolarHBondContact O-CA 3.29Å; H193-N212 PolarHBondContact N-O 2.84Å; H193-N212 PolarHBondContact O-N 2.96Å
194G97.7Very high96.6Very high2 Ų246.5 Ų46.52%0.02126%0.256CS..  trans-156.7146.6177.700000109.3
195W98.4Very high96.7Very high68 Ų6842 Ų4226%0.25824%0.239SC..  trans-124.2127.4-174.3-65.794.4000109.9I197 V207 V277 A279 P299W195-I197 HydrophobicContact CB-CG2 4.42Å; W195-V207 HydrophobicContact CB-CB 4.44Å; W195-V207 HydrophobicContact CB-CG2 4.38Å; W195-V207 PolarHBondContact O-N 3.04Å; W195-V277 HydrophobicContact CH2-CB 4.17Å; W195-V277 HydrophobicContact CH2-CG1 3.62Å; W195-V277 HydrophobicContact CZ2-CG1 4.11Å; W195-V277 HydrophobicContact CZ3-CG1 4.39Å; W195-A279 HydrophobicContact CE3-CB 3.88Å; W195-A279 HydrophobicContact CZ3-CB 3.92Å; W195-P299 HydrophobicContact CD2-CG 4.31Å; W195-P299 HydrophobicContact CE3-CB 4.26Å; W195-P299 HydrophobicContact CE3-CG 4.13Å; W195-P299 HydrophobicContact CH2-CB 4.32Å; W195-P299 HydrophobicContact CZ3-CB 4.1Å; W195-P299 HydrophobicContact CZ3-CG 4.46Å
196I98.4Very high96.8Very high0 Ų038.2 Ų38.20%022%0.223CC..EExtended strand (participates in β ladder)trans-97.7129.4160.4-57.2-61.6000106.4T170 D173 S174 L177 V205 A206 V241T170-I196 VanDerWaalsContact CB-O 3.26Å; T170-I196 WeakPolarHBondContact CB-O 3.38Å; T170-I196 HydrophobicContact CG2-CG2 3.93Å; T170-I196 PolarHBondContact OG1-O 3.49Å; D173-I196 HydrophobicContact CB-CB 4.02Å; D173-I196 HydrophobicContact CB-CG1 4.17Å; D173-I196 HydrophobicContact CB-CG2 3.94Å; S174-I196 PolarHBondContact OG-N 3.49Å; S174-I196 PolarHBondContact OG-O 3.3Å; L177-I196 HydrophobicContact CB-CD1 4.3Å; L177-I196 HydrophobicContact CB-CG1 4.08Å; L177-I196 HydrophobicContact CD2-CD1 3.73Å; L177-I196 HydrophobicContact CD2-CG1 4.07Å; L177-I196 HydrophobicContact CG-CD1 4.43Å; I196-V205 WeakPolarHBondContact CA-O 3.36Å; I196-A206 HydrophobicContact CD1-CB 3.65Å; I196-V241 HydrophobicContact CG1-CG1 4.38Å
197I98.5Very high96.8Very high0 Ų031 Ų310%019%0.185CC..EExtended strand (participates in β ladder)trans-127.7-178.1177.566.4171.2000110.2W195 V205 V207 S297 L298 P299 L315 L323W195-I197 HydrophobicContact CB-CG2 4.42Å; I197-V205 HydrophobicContact CG1-CB 3.97Å; I197-V205 HydrophobicContact CG1-CG1 4.49Å; I197-V205 PolarHBondContact N-O 2.88Å; I197-V205 PolarHBondContact O-N 2.89Å; I197-V207 HydrophobicContact CD1-CG2 3.64Å; I197-V207 HydrophobicContact CG1-CG2 3.71Å; I197-V207 HydrophobicContact CG2-CG2 4.15Å; I197-S297 VanDerWaalsContact CB-O 3.31Å; I197-S297 WeakPolarHBondContact CB-O 3.37Å; I197-L298 HydrophobicContact CD1-CD2 4.19Å; I197-P299 HydrophobicContact CG2-CG 4.47Å; I197-L315 HydrophobicContact CD1-CD1 3.94Å; I197-L315 HydrophobicContact CD1-CD2 3.99Å; I197-L323 HydrophobicContact CD1-CD1 4.02Å; I197-L323 HydrophobicContact CD1-CD2 4.15Å; I197-L323 HydrophobicContact CG1-CD1 4.14Å
198G98Very high96.7Very high0 Ų028.8 Ų28.80%017%0.172CC..BIsolated β-bridgetrans83.3-153.1-178.100000112.6S297G198-S297 PolarHBondContact N-O 2.6Å; G198-S297 VanDerWaalsContact O-CB 3.28Å; G198-S297 WeakPolarHBondContact O-CB 3.42Å; G198-S297 PolarHBondContact O-N 2.87Å; G198-S297 PolarHBondContact O-OG 3.38Å
199E97.1Very high96.6Very high4 Ų427.2 Ų27.22%0.01916%0.161CC..SBendtrans-58.7138.5174.6176.6-172.8-137.100111.6R113 D148 G201 S203 S204 S326 L330R113-E199 IonicContact CZ-OE1 3.58Å; R113-E199 IonicContact NH1-OE1 2.8Å; R113-E199 PolarHBondContact NH1-OE1 3.43Å; R113-E199 IonicContact NH2-OE1 2.86Å; R113-E199 PolarHBondContact NH2-OE1 2.93Å; D148-E199 WeakPolarHBondContact OD2-CA 3.37Å; E199-G201 VanDerWaalsContact C-N 3.32Å; E199-G201 PolarHBondContact O-N 3.25Å; E199-S203 VanDerWaalsContact CB-OG 3.28Å; E199-S203 WeakPolarHBondContact CB-OG 3.12Å; E199-S203 VanDerWaalsContact CD-OG 3.3Å; E199-S203 WeakPolarHBondContact OE2-CA 3.44Å; E199-S203 WeakPolarHBondContact OE2-CB 3.19Å; E199-S203 PolarHBondContact OE2-N 3.41Å; E199-S203 PolarHBondContact OE2-OG 3.29Å; E199-S204 WeakPolarHBondContact O-CA 3.5Å; E199-S204 WeakPolarHBondContact O-CB 3.4Å; E199-S326 WeakPolarHBondContact CB-OG 3.2Å; E199-S326 PolarHBondContact N-OG 3.19Å; E199-L330 HydrophobicContact CB-CD1 3.99Å; E199-L330 HydrophobicContact CB-CG 4.39Å; E199-L330 HydrophobicContact CG-CD1 4.42Å; E199-L330 HydrophobicContact CG-CD2 4.1Å; E199-L330 HydrophobicContact CG-CG 4.48Å
200H95.8Very high96.6Very high41 Ų4127 Ų2719%0.1916%0.162CC..SBendtrans-7389.2159.6175.757.8000109.7N145 V147 D148 T170 D173N145-H200 PolarHBondContact OD1-CD2 2.99Å; V147-H200 HydrophobicContact CG1-CB 3.55Å; D148-H200 PolarHBondContact OD2-N 3Å; T170-H200 HydrophobicContact CG2-CB 4.41Å; D173-H200 IonicContact OD1-CE1 3.99Å; D173-H200 IonicContact OD1-ND1 2.65Å; D173-H200 IonicContact OD2-CE1 3.01Å; D173-H200 PolarHBondContact OD2-CE1 2.9Å; D173-H200 VanDerWaalsContact OD2-CE1 3.25Å; D173-H200 IonicContact OD2-CG 2.76Å; D173-H200 IonicContact OD2-ND1 2.62Å; D173-H200 PolarHBondContact OD2-ND1 3.3Å
201G90.1Very high96.5Very high22 Ų2223.3 Ų23.323%0.22714%0.136CC..SBendtrans158.5-153.3-177.500000113E199 S203 S204E199-G201 VanDerWaalsContact C-N 3.32Å; E199-G201 PolarHBondContact O-N 3.25Å; G201-S203 VanDerWaalsContact C-N 3.29Å; G201-S203 PolarHBondContact O-N 3.05Å; G201-S204 WeakPolarHBondContact O-CB 3.46Å; G201-S204 PolarHBondContact O-N 3.48Å; G201-S204 VanDerWaalsContact O-N 3.08Å; G201-S204 PolarHBondContact O-OG 3.14Å
202D88.6Confident96.5Very high102 Ų10222.3 Ų22.355%0.54513%0.126SC..THydrogen-bonded Turntrans-66.2-26-170.4-62.2-17000113.8I242D202-I242 WeakPolarHBondContact OD1-CG2 3.3Å
203S93.3Very high96.5Very high33 Ų3324.1 Ų24.123%0.23114%0.136CC..THydrogen-bonded Turntrans-9516.1175.378.20000114.1E199 G201 S326E199-S203 VanDerWaalsContact CB-OG 3.28Å; E199-S203 WeakPolarHBondContact CB-OG 3.12Å; E199-S203 VanDerWaalsContact CD-OG 3.3Å; E199-S203 WeakPolarHBondContact OE2-CA 3.44Å; E199-S203 WeakPolarHBondContact OE2-CB 3.19Å; E199-S203 PolarHBondContact OE2-N 3.41Å; E199-S203 PolarHBondContact OE2-OG 3.29Å; G201-S203 VanDerWaalsContact C-N 3.29Å; G201-S203 PolarHBondContact O-N 3.05Å; S203-S326 WeakPolarHBondContact O-CB 3.41Å; S203-S326 PolarHBondContact O-OG 3.06Å; S203-S326 WeakPolarHBondContact OG-CB 3.5Å; S203-S326 PolarHBondContact OG-OG 3.05Å
204S96.8Very high96.5Very high5 Ų525 Ų254%0.03516%0.156CC..  trans-56.9153.7170.960.50000111.9E199 G201 H238E199-S204 WeakPolarHBondContact O-CA 3.5Å; E199-S204 WeakPolarHBondContact O-CB 3.4Å; G201-S204 WeakPolarHBondContact O-CB 3.46Å; G201-S204 PolarHBondContact O-N 3.48Å; G201-S204 VanDerWaalsContact O-N 3.08Å; G201-S204 PolarHBondContact O-OG 3.14Å; S204-H238 PolarHBondContact O-CE1 2.82Å; S204-H238 PolarHBondContact O-NE2 2.79Å; S204-H238 PolarHBondContact OG-NE2 3.17Å
205V97.8Very high96.4Very high1 Ų127.7 Ų27.71%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-123116-175.8-174.30000109.9I196 I197 E319 Q322 L323I196-V205 WeakPolarHBondContact CA-O 3.36Å; I197-V205 HydrophobicContact CG1-CB 3.97Å; I197-V205 HydrophobicContact CG1-CG1 4.49Å; I197-V205 PolarHBondContact N-O 2.88Å; I197-V205 PolarHBondContact O-N 2.89Å; V205-E319 HydrophobicContact CG1-CB 4.39Å; V205-Q322 HydrophobicContact CG1-CB 4.05Å; V205-Q322 HydrophobicContact CG2-CB 3.75Å; V205-L323 HydrophobicContact CG2-CB 4.5Å
206A97.8Very high96.4Very high0 Ų028.3 Ų28.30%020%0.195CC..EExtended strand (participates in β ladder)trans-76.9122.6168.200000110.6I196 W208 H238I196-A206 HydrophobicContact CD1-CB 3.65Å; A206-W208 VanDerWaalsContact C-N 3.34Å; A206-W208 HydrophobicContact CB-CD2 4.21Å; A206-W208 HydrophobicContact CB-CH2 4.13Å; A206-W208 HydrophobicContact CB-CZ2 3.54Å; A206-W208 VanDerWaalsContact O-CD1 3.32Å; A206-W208 PolarHBondContact O-N 3.23Å; A206-W208 VanDerWaalsContact O-N 3.11Å; A206-H238 HydrophobicContact CB-CB 3.97Å
207V98Very high96.3Very high2 Ų230 Ų301%0.01221%0.206CC..  trans-87.175.3179.4-170.60000109.6W195 I197 S209 G210 M211 L315 E319W195-V207 HydrophobicContact CB-CB 4.44Å; W195-V207 HydrophobicContact CB-CG2 4.38Å; W195-V207 PolarHBondContact O-N 3.04Å; I197-V207 HydrophobicContact CD1-CG2 3.64Å; I197-V207 HydrophobicContact CG1-CG2 3.71Å; I197-V207 HydrophobicContact CG2-CG2 4.15Å; V207-S209 PolarHBondContact O-N 2.99Å; V207-G210 PolarHBondContact O-N 3.27Å; V207-G210 VanDerWaalsContact O-N 3.08Å; V207-M211 PolarHBondContact O-N 2.75Å; V207-L315 HydrophobicContact CG1-CD2 3.69Å; V207-L315 HydrophobicContact CG2-CD2 4.01Å; V207-E319 WeakPolarHBondContact CA-OE1 3.32Å
208W97.2Very high96.2Very high18 Ų1830.7 Ų30.77%0.06821%0.209CC..G310 helixtrans-56.6-35.5179.9-55.7109.1000112.6A206 G210 M211 I225 W234 H238 E319A206-W208 VanDerWaalsContact C-N 3.34Å; A206-W208 HydrophobicContact CB-CD2 4.21Å; A206-W208 HydrophobicContact CB-CH2 4.13Å; A206-W208 HydrophobicContact CB-CZ2 3.54Å; A206-W208 VanDerWaalsContact O-CD1 3.32Å; A206-W208 PolarHBondContact O-N 3.23Å; A206-W208 VanDerWaalsContact O-N 3.11Å; W208-G210 PolarHBondContact O-N 3.35Å; W208-M211 HydrophobicContact CD2-SD 4.18Å; W208-M211 HydrophobicContact CE3-CE 4.16Å; W208-M211 HydrophobicContact CE3-SD 3.23Å; W208-M211 HydrophobicContact CZ3-CE 4Å; W208-M211 HydrophobicContact CZ3-SD 3.49Å; W208-M211 WeakPolarHBondContact CZ3-SD 3.35Å; W208-M211 PolarHBondContact O-N 3.06Å; W208-I225 HydrophobicContact CB-CG2 4.32Å; W208-I225 HydrophobicContact CE3-CG1 4.11Å; W208-W234 HydrophobicContact CE3-CB 4.44Å; W208-W234 HydrophobicContact CH2-CB 4.42Å; W208-W234 WeakPolarHBondContact CH2-O 3.36Å; W208-W234 HydrophobicContact CZ3-CB 3.94Å; W208-W234 HydrophobicContact CZ3-CE3 4.44Å; W208-H238 HydrophobicContact CH2-CB 3.98Å; W208-H238 HydrophobicContact CZ2-CB 3.71Å; W208-E319 PolarHBondContact N-OE1 3.05Å
209S96Very high96Very high34 Ų3433.4 Ų33.424%0.23822%0.221CC..G310 helixtrans-62.6-23.9177.859.60000113.9V207 T217 E319V207-S209 PolarHBondContact O-N 2.99Å; S209-T217 WeakPolarHBondContact O-CG2 3.4Å; S209-E319 WeakPolarHBondContact CB-OE1 3.5Å; S209-E319 WeakPolarHBondContact CB-OE2 3.44Å; S209-E319 PolarHBondContact N-OE1 2.85Å; S209-E319 VanDerWaalsContact OG-CD 3.23Å; S209-E319 PolarHBondContact OG-OE1 3Å; S209-E319 PolarHBondContact OG-OE2 3.03Å
210G96Very high96Very high26 Ų2639.4 Ų39.427%0.26825%0.253SS..G310 helixtrans-101.4-3.6179.400000114.7V207 W208 N212V207-G210 PolarHBondContact O-N 3.27Å; V207-G210 VanDerWaalsContact O-N 3.08Å; W208-G210 PolarHBondContact O-N 3.35Å; G210-N212 PolarHBondContact O-N 3.41Å; G210-N212 PolarHBondContact O-ND2 2.94Å
211M96.8Very high96Very high0 Ų043.6 Ų43.60%028%0.276CS..  trans-70.1126.3-177.4-75.4-178.557.500111.2L177 M181 H193 V207 W208 T217 L218 W234L177-M211 HydrophobicContact CD2-SD 4.26Å; M181-M211 HydrophobicContact CE-CE 3.64Å; M181-M211 HydrophobicContact CG-CE 3.83Å; M181-M211 HydrophobicContact SD-CE 3.52Å; M181-M211 VanDerWaalsContact SD-CE 3.52Å; H193-M211 WeakPolarHBondContact O-CA 3.29Å; V207-M211 PolarHBondContact O-N 2.75Å; W208-M211 HydrophobicContact CD2-SD 4.18Å; W208-M211 HydrophobicContact CE3-CE 4.16Å; W208-M211 HydrophobicContact CE3-SD 3.23Å; W208-M211 HydrophobicContact CZ3-CE 4Å; W208-M211 HydrophobicContact CZ3-SD 3.49Å; W208-M211 WeakPolarHBondContact CZ3-SD 3.35Å; W208-M211 PolarHBondContact O-N 3.06Å; M211-T217 WeakPolarHBondContact O-CA 3.39Å; M211-L218 HydrophobicContact CB-CD1 4.34Å; M211-L218 HydrophobicContact CE-CD1 4.21Å; M211-L218 PolarHBondContact O-N 3.09Å; M211-W234 HydrophobicContact CE-CE3 4.02Å; M211-W234 HydrophobicContact CE-CZ3 4.01Å
212N98.1Very high96.2Very high35 Ų3543.5 Ų43.519%0.18727%0.27CS..EExtended strand (participates in β ladder)trans-153.3161.4-176.272.590.2000113.5H193 G210 G215 V216H193-N212 PolarHBondContact N-O 2.84Å; H193-N212 PolarHBondContact O-N 2.96Å; G210-N212 PolarHBondContact O-N 3.41Å; G210-N212 PolarHBondContact O-ND2 2.94Å; N212-G215 PolarHBondContact OD1-N 2.74Å; N212-V216 VanDerWaalsContact CA-O 3.24Å; N212-V216 WeakPolarHBondContact CA-O 3.4Å; N212-V216 VanDerWaalsContact CB-O 3.3Å; N212-V216 WeakPolarHBondContact CB-O 3.28Å
213I98Very high96.5Very high38 Ų3842.8 Ų42.820%0.19527%0.271CS..EExtended strand (participates in β ladder)trans-129.2128.8166.2-67.3167000107F185 I187 G215 V216F185-I213 HydrophobicContact CB-CD1 4.29Å; F185-I213 HydrophobicContact CD1-CD1 4.12Å; F185-I213 HydrophobicContact CD2-CD1 3.34Å; F185-I213 HydrophobicContact CE1-CD1 4.28Å; F185-I213 HydrophobicContact CE2-CD1 3.5Å; F185-I213 VanDerWaalsContact CE2-CD1 3.5Å; F185-I213 HydrophobicContact CG-CD1 3.67Å; F185-I213 HydrophobicContact CZ-CD1 3.99Å; I187-I213 HydrophobicContact CD1-CD1 3.67Å; I187-I213 HydrophobicContact CD1-CG1 4.16Å; I187-I213 HydrophobicContact CD1-CG2 4.01Å; I213-G215 PolarHBondContact O-N 2.98Å; I213-G215 VanDerWaalsContact O-N 3.08Å; I213-V216 PolarHBondContact N-O 3.49Å; I213-V216 WeakPolarHBondContact O-CB 3.33Å; I213-V216 PolarHBondContact O-N 2.91Å
214A97.1Very high96.6Very high95 Ų9545.4 Ų45.479%0.78528%0.279SS*.THydrogen-bonded Turntrans51.132-17800000114V216A214-V216 VanDerWaalsContact C-N 3.28Å; A214-V216 PolarHBondContact O-N 3.43Å
215G96.6Very high96.6Very high58 Ų5845.3 Ų45.360%0.59828%0.277SS*.THydrogen-bonded Turntrans81.1-4.7-177.400000115.4N212 I213 T217N212-G215 PolarHBondContact OD1-N 2.74Å; I213-G215 PolarHBondContact O-N 2.98Å; I213-G215 VanDerWaalsContact O-N 3.08Å; G215-T217 PolarHBondContact O-N 3.25Å
216V97.6Very high96.3Very high80 Ų8045.7 Ų45.749%0.48528%0.282SS..EExtended strand (participates in β ladder)trans-82.1107.9173.8-175.90000109.3N212 I213 A214 L218 L221N212-V216 VanDerWaalsContact CA-O 3.24Å; N212-V216 WeakPolarHBondContact CA-O 3.4Å; N212-V216 VanDerWaalsContact CB-O 3.3Å; N212-V216 WeakPolarHBondContact CB-O 3.28Å; I213-V216 PolarHBondContact N-O 3.49Å; I213-V216 WeakPolarHBondContact O-CB 3.33Å; I213-V216 PolarHBondContact O-N 2.91Å; A214-V216 VanDerWaalsContact C-N 3.28Å; A214-V216 PolarHBondContact O-N 3.43Å; V216-L218 PolarHBondContact O-N 3.07Å; V216-L221 HydrophobicContact CG1-CD1 4Å; V216-L221 HydrophobicContact CG1-CG 4.35Å
217T97.1Very high96.1Very high37 Ų3749.8 Ų49.823%0.22730%0.301CS..EExtended strand (participates in β ladder)trans-69124.7179.9-51.60000111S209 M211 G215 K219 N220S209-T217 WeakPolarHBondContact O-CG2 3.4Å; M211-T217 WeakPolarHBondContact O-CA 3.39Å; G215-T217 PolarHBondContact O-N 3.25Å; T217-K219 VanDerWaalsContact C-N 3.27Å; T217-K219 HydrophobicContact CG2-CB 4.17Å; T217-K219 PolarHBondContact O-N 3.03Å; T217-N220 WeakPolarHBondContact O-CB 3.37Å; T217-N220 PolarHBondContact O-N 2.78Å; T217-N220 VanDerWaalsContact O-N 3.09Å
218L96.2Very high95.8Very high13 Ų1356.5 Ų56.57%0.06834%0.337CS..Hα-helixtrans-64.7-32.5-177.3-60.8-173.2000112.4M181 F185 M211 V216 N220 L221 N222 I225 W234M181-L218 HydrophobicContact CE-CD1 4.12Å; F185-L218 HydrophobicContact CE2-CD1 3.91Å; F185-L218 HydrophobicContact CE2-CD2 4.48Å; F185-L218 HydrophobicContact CZ-CD1 3.9Å; F185-L218 HydrophobicContact CZ-CD2 3.9Å; M211-L218 HydrophobicContact CB-CD1 4.34Å; M211-L218 HydrophobicContact CE-CD1 4.21Å; M211-L218 PolarHBondContact O-N 3.09Å; V216-L218 PolarHBondContact O-N 3.07Å; L218-N220 PolarHBondContact O-N 3.44Å; L218-L221 PolarHBondContact O-N 3.07Å; L218-N222 PolarHBondContact O-N 3Å; L218-I225 HydrophobicContact CB-CD1 3.59Å; L218-I225 HydrophobicContact CD1-CD1 4.16Å; L218-W234 HydrophobicContact CD1-CH2 4.09Å; L218-W234 HydrophobicContact CD1-CZ2 4.44Å; L218-W234 HydrophobicContact CD1-CZ3 4.27Å
219K95.1Very high95.6Very high57 Ų5759.8 Ų59.825%0.24836%0.356CS..Hα-helixtrans-62-24.7175.3-170.4160-172.7160.90113.8T217 L221 N222 P223 I225T217-K219 VanDerWaalsContact C-N 3.27Å; T217-K219 HydrophobicContact CG2-CB 4.17Å; T217-K219 PolarHBondContact O-N 3.03Å; K219-L221 VanDerWaalsContact C-N 3.32Å; K219-N222 WeakPolarHBondContact CA-O 3.38Å; K219-N222 CarbonylContact O-C 3.47Å; K219-N222 VanDerWaalsContact O-C 3.3Å; K219-P223 WeakPolarHBondContact CE-O 3.25Å; K219-P223 VanDerWaalsContact O-CA 3.22Å; K219-P223 WeakPolarHBondContact O-CA 3.41Å; K219-I225 HydrophobicContact CB-CG2 3.61Å; K219-I225 HydrophobicContact CD-CG2 4.24Å; K219-I225 HydrophobicContact CG-CG2 3.81Å
220N95.1Very high95.6Very high131 Ų13158.5 Ų58.570%0.70135%0.346SS*.Hα-helixtrans-75.6-25.5174.6-67.6-6.9000112.1T217 L218T217-N220 WeakPolarHBondContact O-CB 3.37Å; T217-N220 PolarHBondContact O-N 2.78Å; T217-N220 VanDerWaalsContact O-N 3.09Å; L218-N220 PolarHBondContact O-N 3.44Å
221L95.8Very high95.4Very high128 Ų12862.3 Ų62.367%0.6737%0.366SS*.Hα-helixtrans-88.1-41.6178-56.6178.4000111.3V216 L218 K219V216-L221 HydrophobicContact CG1-CD1 4Å; V216-L221 HydrophobicContact CG1-CG 4.35Å; L218-L221 PolarHBondContact O-N 3.07Å; K219-L221 VanDerWaalsContact C-N 3.32Å
222N96Very high95.3Very high20 Ų2067.4 Ų67.411%0.10739%0.39CS..  trans-122.493173.3178.20.8000109.1L218 K219 K224 I225 D230L218-N222 PolarHBondContact O-N 3Å; K219-N222 WeakPolarHBondContact CA-O 3.38Å; K219-N222 CarbonylContact O-C 3.47Å; K219-N222 VanDerWaalsContact O-C 3.3Å; N222-K224 PolarHBondContact O-N 3.48Å; N222-K224 VanDerWaalsContact O-N 3.13Å; N222-K224 PolarHBondContact OD1-N 2.81Å; N222-K224 VanDerWaalsContact OD1-N 3.16Å; N222-I225 HydrophobicContact CB-CB 4.29Å; N222-I225 VanDerWaalsContact O-CB 3.26Å; N222-I225 WeakPolarHBondContact O-CB 3.26Å; N222-I225 VanDerWaalsContact O-CG2 3.27Å; N222-I225 WeakPolarHBondContact O-CG2 3.34Å; N222-I225 PolarHBondContact O-N 2.61Å; N222-I225 PolarHBondContact OD1-N 2.85Å; N222-D230 PolarHBondContact ND2-OD1 3.41Å
223P95.2Very high95.1Very high87 Ų8771.6 Ų71.657%0.56541%0.41SS*.THydrogen-bonded Turntrans-57.3-27-180-28.636.9000114.6K219 I225K219-P223 WeakPolarHBondContact CE-O 3.25Å; K219-P223 VanDerWaalsContact O-CA 3.22Å; K219-P223 WeakPolarHBondContact O-CA 3.41Å; P223-I225 VanDerWaalsContact C-N 3.32Å
224K95.3Very high95Very high89 Ų8970.1 Ų70.139%0.38740%0.402SS..THydrogen-bonded Turntrans-87.23.8179.7-60.7-168.9176-163.10113.4N222 G226 E227 D229 D230N222-K224 PolarHBondContact O-N 3.48Å; N222-K224 VanDerWaalsContact O-N 3.13Å; N222-K224 PolarHBondContact OD1-N 2.81Å; N222-K224 VanDerWaalsContact OD1-N 3.16Å; K224-G226 PolarHBondContact O-N 2.83Å; K224-E227 VanDerWaalsContact O-CB 3.22Å; K224-E227 WeakPolarHBondContact O-CB 3.2Å; K224-E227 WeakPolarHBondContact O-CG 3.25Å; K224-E227 PolarHBondContact O-N 3.24Å; K224-D229 WeakPolarHBondContact CE-OD2 3.18Å; K224-D229 IonicContact NZ-OD2 2.7Å; K224-D229 PolarHBondContact NZ-OD2 3.22Å; K224-D230 WeakPolarHBondContact O-CB 3.35Å
225I95.3Very high94.8Very high2 Ų269.7 Ų69.71%0.0138%0.382CS..THydrogen-bonded Turntrans-52.7125.5-176.1-168169.2000111.9W208 L218 K219 N222 P223 E227 W234W208-I225 HydrophobicContact CB-CG2 4.32Å; W208-I225 HydrophobicContact CE3-CG1 4.11Å; L218-I225 HydrophobicContact CB-CD1 3.59Å; L218-I225 HydrophobicContact CD1-CD1 4.16Å; K219-I225 HydrophobicContact CB-CG2 3.61Å; K219-I225 HydrophobicContact CD-CG2 4.24Å; K219-I225 HydrophobicContact CG-CG2 3.81Å; N222-I225 HydrophobicContact CB-CB 4.29Å; N222-I225 VanDerWaalsContact O-CB 3.26Å; N222-I225 WeakPolarHBondContact O-CB 3.26Å; N222-I225 VanDerWaalsContact O-CG2 3.27Å; N222-I225 WeakPolarHBondContact O-CG2 3.34Å; N222-I225 PolarHBondContact O-N 2.61Å; N222-I225 PolarHBondContact OD1-N 2.85Å; P223-I225 VanDerWaalsContact C-N 3.32Å; I225-E227 PolarHBondContact O-N 2.97Å; I225-W234 HydrophobicContact CD1-CB 4.34Å; I225-W234 HydrophobicContact CD1-CD2 3.76Å; I225-W234 HydrophobicContact CD1-CE3 4.21Å; I225-W234 HydrophobicContact CD1-CG 3.8Å; I225-W234 HydrophobicContact CG1-CB 3.62Å; I225-W234 HydrophobicContact CG1-CD2 4.02Å; I225-W234 HydrophobicContact CG1-CG 3.49Å; I225-W234 VanDerWaalsContact CG1-CG 3.49Å
226G92.3Very high94.7Very high10 Ų1071.2 Ų71.210%0.10337%0.374CS..THydrogen-bonded Turntrans79.3-2.2-179.500000115.4K224 D230K224-G226 PolarHBondContact O-N 2.83Å; G226-D230 PolarHBondContact N-OD2 3.36Å
227E93.4Very high94.6Very high85 Ų8567.6 Ų67.640%0.39735%0.352SS..SBendtrans-79.5166.8171.2-56.8-175.217200110.7K224 I225 D229 D230K224-E227 VanDerWaalsContact O-CB 3.22Å; K224-E227 WeakPolarHBondContact O-CB 3.2Å; K224-E227 WeakPolarHBondContact O-CG 3.25Å; K224-E227 PolarHBondContact O-N 3.24Å; I225-E227 PolarHBondContact O-N 2.97Å; E227-D229 VanDerWaalsContact C-N 3.3Å; E227-D229 PolarHBondContact O-N 3.27Å; E227-D230 WeakPolarHBondContact O-CB 3.29Å
228N92Very high94.6Very high143 Ų14366.9 Ų66.977%0.76535%0.346SS*.THydrogen-bonded Turntrans-72.4-26-177.6-71.2-24.2000112.6K235N228-K235 PolarHBondContact OD1-NZ 3.26Å
229D93.3Very high94.5Very high88 Ų8872.5 Ų72.547%0.47137%0.366SS..THydrogen-bonded Turntrans-102.220.7179.468.1-39.4000112.5K224 E227 P231K224-D229 WeakPolarHBondContact CE-OD2 3.18Å; K224-D229 IonicContact NZ-OD2 2.7Å; K224-D229 PolarHBondContact NZ-OD2 3.22Å; E227-D229 VanDerWaalsContact C-N 3.3Å; E227-D229 PolarHBondContact O-N 3.27Å; D229-P231 WeakPolarHBondContact O-CD 3.27Å
230D94.5Very high94.6Very high6 Ų675.4 Ų75.43%0.03238%0.379CS..  trans-65.2114.6169-178.10.8000110.6N222 K224 G226 E227 E232 M233 W234N222-D230 PolarHBondContact ND2-OD1 3.41Å; K224-D230 WeakPolarHBondContact O-CB 3.35Å; G226-D230 PolarHBondContact N-OD2 3.36Å; E227-D230 WeakPolarHBondContact O-CB 3.29Å; D230-E232 PolarHBondContact O-N 3.43Å; D230-E232 PolarHBondContact OD1-N 3.03Å; D230-M233 PolarHBondContact O-N 2.92Å; D230-W234 WeakPolarHBondContact OD2-CB 3.4Å; D230-W234 VanDerWaalsContact OD2-CD1 3.24Å; D230-W234 PolarHBondContact OD2-N 2.65Å
231P92.7Very high94.6Very high106 Ų10669.1 Ų69.169%0.68835%0.345SS*.THydrogen-bonded Turntrans-64.2-23.1-178.127.1-35.2000113.3D229D229-P231 WeakPolarHBondContact O-CD 3.27Å
232E94.7Very high94.5Very high108 Ų10863.7 Ų63.751%0.50532%0.317SS..THydrogen-bonded Turntrans-93.71.6178.2-67.3179.2-156.600113R184 D230 W234R184-E232 PolarHBondContact NH1-O 3.24Å; D230-E232 PolarHBondContact O-N 3.43Å; D230-E232 PolarHBondContact OD1-N 3.03Å; E232-W234 VanDerWaalsContact C-N 3.28Å; E232-W234 PolarHBondContact O-N 2.93Å; E232-W234 PolarHBondContact OE2-NE1 3.28Å
233M94.4Very high94.3Very high122 Ų12265.9 Ų65.960%0.60133%0.328SS*.  trans47.348.7177.5-55.2-176.7-65.600112R184 D230 K235 E236R184-M233 PolarHBondContact NH2-O 3.45Å; R184-M233 VanDerWaalsContact NH2-O 3.13Å; D230-M233 PolarHBondContact O-N 2.92Å; M233-K235 PolarHBondContact O-N 3.48Å; M233-E236 HydrophobicContact CB-CG 3.95Å; M233-E236 WeakPolarHBondContact O-CB 3.4Å; M233-E236 PolarHBondContact O-N 3.02Å; M233-E236 VanDerWaalsContact O-N 3.14Å
234W94.9Very high94.2Very high8 Ų862.7 Ų62.73%0.0331%0.308CS..THydrogen-bonded Turntrans-62-28.5178.6-79.985.6000112.3M181 R184 F185 W208 M211 L218 I225 D230 E232 E236 L237M181-W234 HydrophobicContact CG-CZ3 4.23Å; R184-W234 HydrophobicContact CB-CH2 4.46Å; R184-W234 VanDerWaalsContact NH1-CD2 3.31Å; F185-W234 HydrophobicContact CD2-CH2 4.31Å; F185-W234 AromaticContact CE2-CH2 3.37Å; F185-W234 HydrophobicContact CE2-CH2 3.37Å; F185-W234 HydrophobicContact CE2-CZ2 4.08Å; F185-W234 HydrophobicContact CE2-CZ3 4.29Å; F185-W234 AromaticContact CZ-CH2 3.56Å; F185-W234 HydrophobicContact CZ-CH2 3.56Å; F185-W234 AromaticContact CZ-CZ2 3.77Å; F185-W234 HydrophobicContact CZ-CZ2 3.77Å; W208-W234 HydrophobicContact CE3-CB 4.44Å; W208-W234 HydrophobicContact CH2-CB 4.42Å; W208-W234 WeakPolarHBondContact CH2-O 3.36Å; W208-W234 HydrophobicContact CZ3-CB 3.94Å; W208-W234 HydrophobicContact CZ3-CE3 4.44Å; M211-W234 HydrophobicContact CE-CE3 4.02Å; M211-W234 HydrophobicContact CE-CZ3 4.01Å; L218-W234 HydrophobicContact CD1-CH2 4.09Å; L218-W234 HydrophobicContact CD1-CZ2 4.44Å; L218-W234 HydrophobicContact CD1-CZ3 4.27Å; I225-W234 HydrophobicContact CD1-CB 4.34Å; I225-W234 HydrophobicContact CD1-CD2 3.76Å; I225-W234 HydrophobicContact CD1-CE3 4.21Å; I225-W234 HydrophobicContact CD1-CG 3.8Å; I225-W234 HydrophobicContact CG1-CB 3.62Å; I225-W234 HydrophobicContact CG1-CD2 4.02Å; I225-W234 HydrophobicContact CG1-CG 3.49Å; I225-W234 VanDerWaalsContact CG1-CG 3.49Å; D230-W234 WeakPolarHBondContact OD2-CB 3.4Å; D230-W234 VanDerWaalsContact OD2-CD1 3.24Å; D230-W234 PolarHBondContact OD2-N 2.65Å; E232-W234 VanDerWaalsContact C-N 3.28Å; E232-W234 PolarHBondContact O-N 2.93Å; E232-W234 PolarHBondContact OE2-NE1 3.28Å; W234-E236 PolarHBondContact O-N 2.99Å; W234-E236 VanDerWaalsContact O-N 3.11Å; W234-L237 HydrophobicContact CE3-CD2 3.7Å; W234-L237 HydrophobicContact CZ3-CD2 3.54Å; W234-L237 VanDerWaalsContact O-CB 3.3Å; W234-L237 WeakPolarHBondContact O-CB 3.4Å; W234-L237 PolarHBondContact O-N 2.91Å
235K93.9Very high93.8Very high86 Ų8659.7 Ų59.737%0.37430%0.3SS..Hα-helixtrans-55.6-29.1175.3-165.8172.7-178.7170.10113.4N228 M233 L237 H238 R239N228-K235 PolarHBondContact OD1-NZ 3.26Å; M233-K235 PolarHBondContact O-N 3.48Å; K235-L237 PolarHBondContact O-N 2.83Å; K235-H238 PolarHBondContact O-N 2.95Å; K235-H238 VanDerWaalsContact O-N 3.11Å; K235-R239 PolarHBondContact O-N 2.84Å
236E94.8Very high93.5Very high90 Ų9066.1 Ų66.142%0.42133%0.325SS..Hα-helixtrans-63.6-24.3175-66.9-58.1136.900113.1M233 W234 R239 K240M233-E236 HydrophobicContact CB-CG 3.95Å; M233-E236 WeakPolarHBondContact O-CB 3.4Å; M233-E236 PolarHBondContact O-N 3.02Å; M233-E236 VanDerWaalsContact O-N 3.14Å; W234-E236 PolarHBondContact O-N 2.99Å; W234-E236 VanDerWaalsContact O-N 3.11Å; E236-R239 PolarHBondContact O-N 2.8Å; E236-K240 WeakPolarHBondContact O-CB 3.46Å; E236-K240 VanDerWaalsContact O-CG 3.29Å; E236-K240 WeakPolarHBondContact O-CG 3.35Å; E236-K240 PolarHBondContact O-N 2.78Å
237L95.3Very high93.6Very high4 Ų471.4 Ų71.42%0.02135%0.347CS..Hα-helixtrans-64-44.5171.7-105.252000111.6L177 L180 M181 R184 W234 K235 K240 V241L177-L237 HydrophobicContact CD1-CB 4.1Å; L177-L237 HydrophobicContact CD1-CD2 4.49Å; L180-L237 HydrophobicContact CB-CD1 4.39Å; L180-L237 HydrophobicContact CB-CD2 4.18Å; L180-L237 HydrophobicContact CB-CG 3.76Å; L180-L237 HydrophobicContact CD1-CG 4.31Å; M181-L237 HydrophobicContact CG-CD2 4.14Å; R184-L237 VanDerWaalsContact NH2-CD1 3.29Å; W234-L237 HydrophobicContact CE3-CD2 3.7Å; W234-L237 HydrophobicContact CZ3-CD2 3.54Å; W234-L237 VanDerWaalsContact O-CB 3.3Å; W234-L237 WeakPolarHBondContact O-CB 3.4Å; W234-L237 PolarHBondContact O-N 2.91Å; K235-L237 PolarHBondContact O-N 2.83Å; L237-K240 PolarHBondContact O-N 3.38Å; L237-V241 WeakPolarHBondContact O-CG2 3.37Å; L237-V241 PolarHBondContact O-N 2.88Å
238H95.8Very high93.6Very high21 Ų2170.6 Ų70.610%0.09735%0.345CS..Hα-helixtrans-66.6-40.1177.9-179.7-147.6000111.2S204 A206 W208 K235 K240 V241 I242S204-H238 PolarHBondContact O-CE1 2.82Å; S204-H238 PolarHBondContact O-NE2 2.79Å; S204-H238 PolarHBondContact OG-NE2 3.17Å; A206-H238 HydrophobicContact CB-CB 3.97Å; W208-H238 HydrophobicContact CH2-CB 3.98Å; W208-H238 HydrophobicContact CZ2-CB 3.71Å; K235-H238 PolarHBondContact O-N 2.95Å; K235-H238 VanDerWaalsContact O-N 3.11Å; H238-K240 PolarHBondContact O-N 3.49Å; H238-V241 WeakPolarHBondContact O-CB 3.17Å; H238-V241 PolarHBondContact O-N 2.68Å; H238-V241 VanDerWaalsContact O-N 3.13Å; H238-I242 PolarHBondContact O-N 2.77Å; H238-I242 VanDerWaalsContact O-N 3.11Å
239R95Very high93.6Very high132 Ų13267.6 Ų67.650%0.49833%0.328SS..Hα-helixtrans-56.1-50.1171.6-178.160.664.6-172.72111.6K235 E236 V241 I242 D243K235-R239 PolarHBondContact O-N 2.84Å; E236-R239 PolarHBondContact O-N 2.8Å; R239-V241 VanDerWaalsContact C-N 3.28Å; R239-V241 PolarHBondContact O-N 3.21Å; R239-I242 PolarHBondContact O-N 2.83Å; R239-D243 WeakPolarHBondContact CD-OD2 3.33Å; R239-D243 WeakPolarHBondContact CG-OD2 3.21Å; R239-D243 WeakPolarHBondContact O-CB 3.44Å; R239-D243 VanDerWaalsContact O-CG 3.25Å; R239-D243 PolarHBondContact O-N 3.41Å
240K96.1Very high93.6Very high117 Ų11772.1 Ų72.151%0.50934%0.343SS..Hα-helixtrans-59.8-34.5175.6-74.7178.9-178.8-171.50113.2L180 E236 L237 H238 S244L180-K240 HydrophobicContact CD1-CB 3.73Å; E236-K240 WeakPolarHBondContact O-CB 3.46Å; E236-K240 VanDerWaalsContact O-CG 3.29Å; E236-K240 WeakPolarHBondContact O-CG 3.35Å; E236-K240 PolarHBondContact O-N 2.78Å; L237-K240 PolarHBondContact O-N 3.38Å; H238-K240 PolarHBondContact O-N 3.49Å; K240-S244 WeakPolarHBondContact O-CB 3.38Å; K240-S244 PolarHBondContact O-N 2.92Å; K240-S244 PolarHBondContact O-OG 2.83Å
241V96.3Very high93.7Very high0 Ų078.4 Ų78.40%038%0.376CS..Hα-helixtrans-63-47.1175.21700000111.2D173 R176 L177 L180 I196 L237 H238 R239 S244D173-V241 HydrophobicContact CB-CG1 3.71Å; D173-V241 WeakPolarHBondContact O-CG1 3.4Å; R176-V241 HydrophobicContact CB-CG1 4.18Å; R176-V241 HydrophobicContact CB-CG2 4.06Å; L177-V241 HydrophobicContact CB-CG2 3.92Å; L177-V241 HydrophobicContact CD1-CG2 4.39Å; L180-V241 HydrophobicContact CD1-CG2 3.83Å; I196-V241 HydrophobicContact CG1-CG1 4.38Å; L237-V241 WeakPolarHBondContact O-CG2 3.37Å; L237-V241 PolarHBondContact O-N 2.88Å; H238-V241 WeakPolarHBondContact O-CB 3.17Å; H238-V241 PolarHBondContact O-N 2.68Å; H238-V241 VanDerWaalsContact O-N 3.13Å; R239-V241 VanDerWaalsContact C-N 3.28Å; R239-V241 PolarHBondContact O-N 3.21Å; V241-S244 WeakPolarHBondContact O-CB 3.45Å; V241-S244 PolarHBondContact O-N 3.34Å
242I92.4Very high93.9Very high14 Ų1477.2 Ų77.27%0.07236%0.36CS..Hα-helixtrans-61.8-50.3176.6-64.8166.9000109.5D202 H238 R239 S244 Y246D202-I242 WeakPolarHBondContact OD1-CG2 3.3Å; H238-I242 PolarHBondContact O-N 2.77Å; H238-I242 VanDerWaalsContact O-N 3.11Å; R239-I242 PolarHBondContact O-N 2.83Å; I242-S244 PolarHBondContact O-N 2.94Å; I242-Y246 HydrophobicContact CG2-CE2 4.39Å
243D93.5Very high93.8Very high65 Ų6574.5 Ų74.535%0.34836%0.361SS..Hα-helixtrans-68.9-21.5-175.4-64.1-14.6000112.9R239 A245 Y246 E247R239-D243 WeakPolarHBondContact CD-OD2 3.33Å; R239-D243 WeakPolarHBondContact CG-OD2 3.21Å; R239-D243 WeakPolarHBondContact O-CB 3.44Å; R239-D243 VanDerWaalsContact O-CG 3.25Å; R239-D243 PolarHBondContact O-N 3.41Å; D243-A245 VanDerWaalsContact C-N 3.27Å; D243-A245 PolarHBondContact O-N 2.91Å; D243-Y246 PolarHBondContact O-N 2.9Å; D243-E247 WeakPolarHBondContact O-CB 3.4Å; D243-E247 PolarHBondContact O-N 2.89Å
244S91.8Very high93.7Very high21 Ų2171.5 Ų71.515%0.14735%0.345CS..Hα-helixtrans-54.3-40.4-178.3-71.70000112.8K240 V241 I242 I248K240-S244 WeakPolarHBondContact O-CB 3.38Å; K240-S244 PolarHBondContact O-N 2.92Å; K240-S244 PolarHBondContact O-OG 2.83Å; V241-S244 WeakPolarHBondContact O-CB 3.45Å; V241-S244 PolarHBondContact O-N 3.34Å; I242-S244 PolarHBondContact O-N 2.94Å; S244-I248 WeakPolarHBondContact O-CB 3.38Å; S244-I248 VanDerWaalsContact O-CD1 3.31Å; S244-I248 WeakPolarHBondContact O-CD1 3.41Å; S244-I248 WeakPolarHBondContact O-CG1 3.37Å; S244-I248 PolarHBondContact O-N 3.17Å; S244-I248 VanDerWaalsContact O-N 3.09Å
245A86.9Confident93.6Very high25 Ų2573 Ų7321%0.20736%0.355CS..Hα-helixtrans-67.3-45.1179.400000111.1D243 I249D243-A245 VanDerWaalsContact C-N 3.27Å; D243-A245 PolarHBondContact O-N 2.91Å; A245-I249 WeakPolarHBondContact O-CB 3.3Å; A245-I249 WeakPolarHBondContact O-CD1 3.4Å; A245-I249 WeakPolarHBondContact O-CG1 3.32Å; A245-I249 PolarHBondContact O-N 2.94Å
246Y90Very high93.8Very high137 Ų13769.1 Ų69.154%0.53734%0.339SS..Hα-helixtrans-65.1-43.3179.4-61.3-72.2000112I242 D243 I249 K250I242-Y246 HydrophobicContact CG2-CE2 4.39Å; D243-Y246 PolarHBondContact O-N 2.9Å; Y246-I249 PolarHBondContact O-N 2.89Å; Y246-K250 WeakPolarHBondContact O-CB 3.2Å; Y246-K250 PolarHBondContact O-N 2.82Å
247E94.1Very high94Very high121 Ų12172.3 Ų72.357%0.56535%0.347SS*.Hα-helixtrans-63.5-46.5177.8-173.7174.7-163.400111.7D243 I249 K250 L251D243-E247 WeakPolarHBondContact O-CB 3.4Å; D243-E247 PolarHBondContact O-N 2.89Å; E247-I249 VanDerWaalsContact C-N 3.34Å; E247-I249 PolarHBondContact O-N 2.91Å; E247-K250 WeakPolarHBondContact O-CB 3.23Å; E247-K250 PolarHBondContact O-N 2.89Å; E247-L251 HydrophobicContact CG-CD1 4Å; E247-L251 WeakPolarHBondContact O-CG 3.39Å; E247-L251 PolarHBondContact O-N 3.22Å
248I93.8Very high94.1Very high68 Ų6874.7 Ų74.735%0.34937%0.367SS..Hα-helixtrans-62.7-42.5176.5-67.2165.5000110.8S244 K250 L251 K252 T255S244-I248 WeakPolarHBondContact O-CB 3.38Å; S244-I248 VanDerWaalsContact O-CD1 3.31Å; S244-I248 WeakPolarHBondContact O-CD1 3.41Å; S244-I248 WeakPolarHBondContact O-CG1 3.37Å; S244-I248 PolarHBondContact O-N 3.17Å; S244-I248 VanDerWaalsContact O-N 3.09Å; I248-K250 VanDerWaalsContact C-N 3.34Å; I248-L251 PolarHBondContact O-N 2.85Å; I248-K252 HydrophobicContact CG2-CB 4.37Å; I248-K252 VanDerWaalsContact O-CB 3.29Å; I248-K252 WeakPolarHBondContact O-CB 3.33Å; I248-K252 PolarHBondContact O-N 3.41Å; I248-T255 HydrophobicContact CB-CG2 4.31Å; I248-T255 HydrophobicContact CG2-CG2 3.97Å
249I91.8Very high94.2Very high81 Ų8174.4 Ų74.442%0.41537%0.366SS..Hα-helixtrans-64.1-41.4177.5-70165.5000110.5A245 Y246 E247 L251 G253 T255A245-I249 WeakPolarHBondContact O-CB 3.3Å; A245-I249 WeakPolarHBondContact O-CD1 3.4Å; A245-I249 WeakPolarHBondContact O-CG1 3.32Å; A245-I249 PolarHBondContact O-N 2.94Å; Y246-I249 PolarHBondContact O-N 2.89Å; E247-I249 VanDerWaalsContact C-N 3.34Å; E247-I249 PolarHBondContact O-N 2.91Å; I249-L251 VanDerWaalsContact C-N 3.31Å; I249-L251 PolarHBondContact O-N 2.93Å; I249-G253 WeakPolarHBondContact O-CA 3.41Å; I249-G253 PolarHBondContact O-N 2.97Å; I249-T255 HydrophobicContact CD1-CG2 4.43Å; I249-T255 HydrophobicContact CG1-CG2 4.04Å
250K93.8Very high94.4Very high183 Ų18368.1 Ų68.180%0.79634%0.342SS*.Hα-helixtrans-60.2-39.9175.7-178.2-177.5176.3-1760112.2Y246 E247 I248Y246-K250 WeakPolarHBondContact O-CB 3.2Å; Y246-K250 PolarHBondContact O-N 2.82Å; E247-K250 WeakPolarHBondContact O-CB 3.23Å; E247-K250 PolarHBondContact O-N 2.89Å; I248-K250 VanDerWaalsContact C-N 3.34Å
251L96.1Very high94.5Very high138 Ų13867 Ų6772%0.72334%0.342SS*.Hα-helixtrans-85.7-38.2-176.1-66.5172.1000114.1E247 I248 I249E247-L251 HydrophobicContact CG-CD1 4Å; E247-L251 WeakPolarHBondContact O-CG 3.39Å; E247-L251 PolarHBondContact O-N 3.22Å; I248-L251 PolarHBondContact O-N 2.85Å; I249-L251 VanDerWaalsContact C-N 3.31Å; I249-L251 PolarHBondContact O-N 2.93Å
252K95.6Very high94.6Very high81 Ų8167.6 Ų67.635%0.35235%0.345SS..Hα-helixtrans-111.2-16.8-171.8-177179.7170.3-166.50113.4I248 F254 S256 W257I248-K252 HydrophobicContact CG2-CB 4.37Å; I248-K252 VanDerWaalsContact O-CB 3.29Å; I248-K252 WeakPolarHBondContact O-CB 3.33Å; I248-K252 PolarHBondContact O-N 3.41Å; K252-F254 VanDerWaalsContact C-N 3.3Å; K252-F254 VanDerWaalsContact CE-CE2 3.45Å; K252-F254 HydrophobicContact CG-CE1 4.47Å; K252-F254 PolarHBondContact O-N 3.3Å; K252-S256 PolarHBondContact NZ-OG 3.29Å; K252-W257 VanDerWaalsContact NZ-CD1 3.35Å; K252-W257 VanDerWaalsContact NZ-NE1 3.14Å
253G93.3Very high94.9Very high51 Ų5166.9 Ų66.953%0.52634%0.342SS..SBendtrans86.3-16.6-174.500000114.8I249I249-G253 WeakPolarHBondContact O-CA 3.41Å; I249-G253 PolarHBondContact O-N 2.97Å
254F92.3Very high95.1Very high59 Ų5963.8 Ų63.826%0.25933%0.325SS..SBendtrans-163.6164.4-179.358.9-88.4000112.8Q37 K252Q37-F254 HydrophobicContact CB-CD2 3.52Å; Q37-F254 HydrophobicContact CB-CE2 3.73Å; Q37-F254 HydrophobicContact CB-CG 4.18Å; Q37-F254 HydrophobicContact CG-CD1 4.19Å; Q37-F254 HydrophobicContact CG-CD2 3.56Å; Q37-F254 HydrophobicContact CG-CE1 4.22Å; Q37-F254 HydrophobicContact CG-CE2 3.57Å; Q37-F254 HydrophobicContact CG-CG 3.87Å; Q37-F254 HydrophobicContact CG-CZ 3.92Å; K252-F254 VanDerWaalsContact C-N 3.3Å; K252-F254 VanDerWaalsContact CE-CE2 3.45Å; K252-F254 HydrophobicContact CG-CE1 4.47Å; K252-F254 PolarHBondContact O-N 3.3Å
255T93.7Very high95.4Very high40 Ų4066 Ų6625%0.24534%0.336CS..  trans-103.3146.9167.860.50000110.4V38 I248 I249V38-T255 WeakPolarHBondContact CG2-O 3.37Å; I248-T255 HydrophobicContact CB-CG2 4.31Å; I248-T255 HydrophobicContact CG2-CG2 3.97Å; I249-T255 HydrophobicContact CD1-CG2 4.43Å; I249-T255 HydrophobicContact CG1-CG2 4.04Å
256S97.4Very high96Very high4 Ų464.9 Ų64.93%0.02833%0.326CS..  trans-156.1-62.7-179.762.90000113.6Q37 A41 K252 A258 I259 G260Q37-S256 WeakPolarHBondContact O-CB 3.42Å; A41-S256 VanDerWaalsContact CB-O 3.31Å; A41-S256 WeakPolarHBondContact CB-O 3.46Å; K252-S256 PolarHBondContact NZ-OG 3.29Å; S256-A258 PolarHBondContact O-N 3.11Å; S256-I259 WeakPolarHBondContact O-CG2 3.49Å; S256-I259 PolarHBondContact O-N 3.44Å; S256-G260 PolarHBondContact O-N 3.35Å
257W98.3Very high96.4Very high157 Ų15758.3 Ų58.360%0.59530%0.3SS*.Hα-helixtrans-61.8-50.9-166.7-52.4134.5000114.3A41 K252 I259 G260 L261A41-W257 HydrophobicContact CB-CE3 3.94Å; A41-W257 HydrophobicContact CB-CZ3 4.21Å; K252-W257 VanDerWaalsContact NZ-CD1 3.35Å; K252-W257 VanDerWaalsContact NZ-NE1 3.14Å; W257-I259 VanDerWaalsContact C-N 3.34Å; W257-I259 PolarHBondContact O-N 3.25Å; W257-G260 PolarHBondContact O-N 3.45Å; W257-L261 PolarHBondContact O-N 2.65Å
258A98.1Very high96.6Very high53 Ų5353.8 Ų53.844%0.43828%0.28SS..Hα-helixtrans-66.2-36.7-176.600000112.4L172 S256 S262L172-A258 HydrophobicContact CD1-CB 3.63Å; S256-A258 PolarHBondContact O-N 3.11Å; A258-S262 WeakPolarHBondContact O-CB 3.27Å; A258-S262 PolarHBondContact O-N 3.2Å
259I98.1Very high96.8Very high15 Ų1550.6 Ų50.68%0.07726%0.263CS..Hα-helixtrans-69.9-39.5174-17660.2000111.1V38 I143 L172 S256 W257 L261 S262 V263V38-I259 HydrophobicContact CG1-CG1 4.28Å; V38-I259 HydrophobicContact CG1-CG2 3.93Å; V38-I259 HydrophobicContact CG2-CG2 4.13Å; I143-I259 HydrophobicContact CG2-CD1 4.01Å; I143-I259 HydrophobicContact CG2-CG1 3.7Å; L172-I259 HydrophobicContact CD2-CB 4.03Å; L172-I259 HydrophobicContact CD2-CD1 4.42Å; S256-I259 WeakPolarHBondContact O-CG2 3.49Å; S256-I259 PolarHBondContact O-N 3.44Å; W257-I259 VanDerWaalsContact C-N 3.34Å; W257-I259 PolarHBondContact O-N 3.25Å; I259-L261 PolarHBondContact O-N 3.1Å; I259-S262 WeakPolarHBondContact O-CB 3.42Å; I259-S262 PolarHBondContact O-N 2.82Å; I259-V263 HydrophobicContact CD1-CG2 4.12Å; I259-V263 HydrophobicContact CG1-CG2 4.32Å; I259-V263 VanDerWaalsContact O-CG2 3.32Å; I259-V263 WeakPolarHBondContact O-CG2 3.38Å; I259-V263 PolarHBondContact O-N 2.62Å
260G98.6Very high97.1Very high0 Ų047 Ų470%025%0.245CC..Hα-helixtrans-57.3-46.1174.100000113.1S45 S256 W257 V263 A264S45-G260 WeakPolarHBondContact CB-O 3.31Å; S256-G260 PolarHBondContact O-N 3.35Å; W257-G260 PolarHBondContact O-N 3.45Å; G260-V263 PolarHBondContact O-N 2.76Å; G260-A264 WeakPolarHBondContact O-CB 3.3Å; G260-A264 PolarHBondContact O-N 3.15Å
261L98.6Very high97.2Very high95 Ų9540.6 Ų40.650%0.49722%0.218SC..Hα-helixtrans-64.8-41.9175-69.3172.7000112.4W257 I259 V263 A264 N265W257-L261 PolarHBondContact O-N 2.65Å; I259-L261 PolarHBondContact O-N 3.1Å; L261-V263 VanDerWaalsContact C-N 3.34Å; L261-V263 PolarHBondContact O-N 3.47Å; L261-A264 PolarHBondContact O-N 3.31Å; L261-N265 PolarHBondContact O-N 3.19Å
262S98.6Very high97.2Very high11 Ų1141 Ų418%0.07721%0.21CC..Hα-helixtrans-58.3-46.3175.3172.50000111.5N171 A258 I259 N265 I266N171-S262 PolarHBondContact ND2-OG 2.85Å; A258-S262 WeakPolarHBondContact O-CB 3.27Å; A258-S262 PolarHBondContact O-N 3.2Å; I259-S262 WeakPolarHBondContact O-CB 3.42Å; I259-S262 PolarHBondContact O-N 2.82Å; S262-N265 PolarHBondContact O-N 3.09Å; S262-I266 WeakPolarHBondContact O-CG1 3.35Å; S262-I266 PolarHBondContact O-N 3.43Å; S262-I266 VanDerWaalsContact O-N 3.11Å
263V98.7Very high97.3Very high0 Ų040.1 Ų40.10%021%0.209CC..Hα-helixtrans-66-44.8178.9171.30000111.6C42 V100 L141 I143 I259 G260 L261 N265 I266 C267C42-V263 HydrophobicContact CB-CG1 4.2Å; V100-V263 HydrophobicContact CG1-CG1 3.87Å; V100-V263 HydrophobicContact CG2-CG1 4.16Å; L141-V263 HydrophobicContact CD2-CG1 4.02Å; I143-V263 HydrophobicContact CD1-CG2 3.34Å; I143-V263 HydrophobicContact CG1-CG2 4.02Å; I259-V263 HydrophobicContact CD1-CG2 4.12Å; I259-V263 HydrophobicContact CG1-CG2 4.32Å; I259-V263 VanDerWaalsContact O-CG2 3.32Å; I259-V263 WeakPolarHBondContact O-CG2 3.38Å; I259-V263 PolarHBondContact O-N 2.62Å; G260-V263 PolarHBondContact O-N 2.76Å; L261-V263 VanDerWaalsContact C-N 3.34Å; L261-V263 PolarHBondContact O-N 3.47Å; V263-N265 VanDerWaalsContact C-N 3.26Å; V263-N265 PolarHBondContact O-N 3.23Å; V263-I266 PolarHBondContact O-N 3.4Å; V263-C267 WeakPolarHBondContact O-CB 3.49Å; V263-C267 PolarHBondContact O-N 3.4Å; V263-C267 PolarHBondContact O-SG 3.47Å; V263-C267 VanDerWaalsContact O-SG 3.38Å
264A98.6Very high97.6Very high0 Ų041.1 Ų41.10%020%0.203CC..Hα-helixtrans-59.1-38.8177.100000112I46 G260 L261 C267 N268I46-A264 HydrophobicContact CG1-CB 4Å; G260-A264 WeakPolarHBondContact O-CB 3.3Å; G260-A264 PolarHBondContact O-N 3.15Å; L261-A264 PolarHBondContact O-N 3.31Å; A264-C267 PolarHBondContact O-N 3.11Å; A264-N268 VanDerWaalsContact O-CB 3.27Å; A264-N268 WeakPolarHBondContact O-CB 3.31Å; A264-N268 PolarHBondContact O-N 2.84Å
265N98.2Very high97.8Very high68 Ų6843.7 Ų43.736%0.36421%0.211SC..Hα-helixtrans-64.4-44.6175.4-170.328.3000112.4L261 S262 V263 N268 S269L261-N265 PolarHBondContact O-N 3.19Å; S262-N265 PolarHBondContact O-N 3.09Å; V263-N265 VanDerWaalsContact C-N 3.26Å; V263-N265 PolarHBondContact O-N 3.23Å; N265-N268 PolarHBondContact O-N 3.18Å; N265-S269 PolarHBondContact O-N 2.93Å
266I98.6Very high98Very high0 Ų045.8 Ų45.80%022%0.217CC..Hα-helixtrans-59.3-51.1174.5-69.8162.8000110.5L141 S262 V263 N268 S269 I270 F278 L280 L302L141-I266 HydrophobicContact CD1-CG2 4.2Å; L141-I266 HydrophobicContact CD2-CB 4.36Å; L141-I266 HydrophobicContact CD2-CG2 3.74Å; S262-I266 WeakPolarHBondContact O-CG1 3.35Å; S262-I266 PolarHBondContact O-N 3.43Å; S262-I266 VanDerWaalsContact O-N 3.11Å; V263-I266 PolarHBondContact O-N 3.4Å; I266-N268 VanDerWaalsContact C-N 3.3Å; I266-N268 PolarHBondContact O-N 3.36Å; I266-S269 PolarHBondContact O-N 2.97Å; I266-I270 HydrophobicContact CG2-CD1 4.04Å; I266-I270 PolarHBondContact O-N 3.39Å; I266-I270 VanDerWaalsContact O-N 3.12Å; I266-F278 HydrophobicContact CG1-CD1 3.79Å; I266-F278 HydrophobicContact CG1-CE1 3.92Å; I266-F278 HydrophobicContact CG1-CG 4.45Å; I266-L280 HydrophobicContact CD1-CD2 3.58Å; I266-L280 HydrophobicContact CG1-CD2 4.16Å; I266-L302 HydrophobicContact CG2-CD1 3.73Å
267C98.5Very high98Very high0 Ų048.6 Ų48.60%023%0.234CC..Hα-helixtrans-58.6-42.7178.3-70.60000111.3I30 T51 I98 V263 A264 S269 I270 M271I30-C267 HydrophobicContact CD1-CB 3.91Å; T51-C267 HydrophobicContact CG2-CB 3.8Å; I98-C267 HydrophobicContact CD1-CB 3.97Å; V263-C267 WeakPolarHBondContact O-CB 3.49Å; V263-C267 PolarHBondContact O-N 3.4Å; V263-C267 PolarHBondContact O-SG 3.47Å; V263-C267 VanDerWaalsContact O-SG 3.38Å; A264-C267 PolarHBondContact O-N 3.11Å; C267-S269 VanDerWaalsContact C-N 3.35Å; C267-S269 PolarHBondContact O-N 2.9Å; C267-I270 PolarHBondContact O-N 3.28Å; C267-M271 WeakPolarHBondContact O-CB 3.26Å; C267-M271 VanDerWaalsContact O-CG 3.22Å; C267-M271 WeakPolarHBondContact O-CG 3.29Å; C267-M271 PolarHBondContact O-N 3.37Å
268N97.7Very high98.1Very high26 Ų2641.4 Ų41.414%0.13921%0.207CC..Hα-helixtrans-62.8-39.7178.6-173.760.8000112.4T51 A264 N265 I266 I270 R272T51-N268 HydrophobicContact CG2-CB 4.07Å; A264-N268 VanDerWaalsContact O-CB 3.27Å; A264-N268 WeakPolarHBondContact O-CB 3.31Å; A264-N268 PolarHBondContact O-N 2.84Å; N265-N268 PolarHBondContact O-N 3.18Å; I266-N268 VanDerWaalsContact C-N 3.3Å; I266-N268 PolarHBondContact O-N 3.36Å; N268-I270 VanDerWaalsContact C-N 3.35Å; N268-I270 PolarHBondContact O-N 2.94Å; N268-R272 WeakPolarHBondContact O-CB 3.28Å; N268-R272 WeakPolarHBondContact O-CG 3.45Å; N268-R272 PolarHBondContact O-N 2.69Å; N268-R272 WeakPolarHBondContact OD1-CD 3.33Å; N268-R272 PolarHBondContact OD1-NE 3.16Å
269S97.9Very high98.1Very high0 Ų038.9 Ų38.90%019%0.186CC..Hα-helixtrans-63.2-39.8174.3-176.80000112.7N265 I266 C267 N273 L274 F278 L302N265-S269 PolarHBondContact O-N 2.93Å; I266-S269 PolarHBondContact O-N 2.97Å; C267-S269 VanDerWaalsContact C-N 3.35Å; C267-S269 PolarHBondContact O-N 2.9Å; S269-N273 CarbonylContact O-C 3.54Å; S269-N273 WeakPolarHBondContact O-CA 3.47Å; S269-N273 PolarHBondContact O-N 3.1Å; S269-L274 PolarHBondContact O-N 3.07Å; S269-F278 VanDerWaalsContact CB-CE2 3.48Å; S269-F278 WeakPolarHBondContact OG-CE2 3.3Å; S269-L302 PolarHBondContact OG-O 3.39Å
270I97.9Very high98.1Very high5 Ų538.1 Ų38.13%0.02618%0.183CC..Hα-helixtrans-67.4-53.3177-66.7166.4000110I98 I139 I266 C267 N268 R272 N273 L302 E304I98-I270 HydrophobicContact CD1-CB 3.82Å; I98-I270 HydrophobicContact CD1-CD1 4.09Å; I98-I270 HydrophobicContact CD1-CG2 3.67Å; I98-I270 HydrophobicContact CG1-CG2 4.02Å; I139-I270 HydrophobicContact CD1-CD1 4.32Å; I139-I270 HydrophobicContact CD1-CG1 4.48Å; I139-I270 HydrophobicContact CD1-CG2 3.43Å; I139-I270 VanDerWaalsContact CD1-CG2 3.43Å; I139-I270 HydrophobicContact CG2-CD1 4.31Å; I266-I270 HydrophobicContact CG2-CD1 4.04Å; I266-I270 PolarHBondContact O-N 3.39Å; I266-I270 VanDerWaalsContact O-N 3.12Å; C267-I270 PolarHBondContact O-N 3.28Å; N268-I270 VanDerWaalsContact C-N 3.35Å; N268-I270 PolarHBondContact O-N 2.94Å; I270-R272 PolarHBondContact O-N 2.82Å; I270-N273 PolarHBondContact O-N 3.38Å; I270-N273 VanDerWaalsContact O-N 3.1Å; I270-L302 HydrophobicContact CD1-CD1 4.36Å; I270-L302 HydrophobicContact CG1-CB 4.4Å; I270-L302 HydrophobicContact CG1-CD1 4.21Å; I270-L302 HydrophobicContact CG1-CD2 4.38Å; I270-E304 WeakPolarHBondContact O-CA 3.3Å
271M96.7Very high98.1Very high49 Ų4938.1 Ų38.124%0.24118%0.183CC..Hα-helixtrans-62.5-29.2-174.7-69.4-51.5-66.200113.4A28 I30 T51 K97 I98 C267A28-M271 HydrophobicContact CB-CE 3.31Å; I30-M271 HydrophobicContact CD1-CG 4.2Å; T51-M271 HydrophobicContact CG2-CB 4.5Å; T51-M271 HydrophobicContact CG2-CG 4.1Å; K97-M271 HydrophobicContact CB-CE 4.38Å; K97-M271 HydrophobicContact CB-SD 3.94Å; K97-M271 HydrophobicContact CG-CE 4.36Å; I98-M271 HydrophobicContact CD1-CG 3.93Å; I98-M271 HydrophobicContact CD1-SD 3.8Å; I98-M271 HydrophobicContact CG1-SD 4.14Å; C267-M271 WeakPolarHBondContact O-CB 3.26Å; C267-M271 VanDerWaalsContact O-CG 3.22Å; C267-M271 WeakPolarHBondContact O-CG 3.29Å; C267-M271 PolarHBondContact O-N 3.37Å
272R96.9Very high98.1Very high147 Ų14733.9 Ų33.956%0.55516%0.16SC*.THydrogen-bonded Turntrans-105.56.9178.7-58-175.8-172.4-143.72.2113.6N268 I270 L274N268-R272 WeakPolarHBondContact O-CB 3.28Å; N268-R272 WeakPolarHBondContact O-CG 3.45Å; N268-R272 PolarHBondContact O-N 2.69Å; N268-R272 WeakPolarHBondContact OD1-CD 3.33Å; N268-R272 PolarHBondContact OD1-NE 3.16Å; I270-R272 PolarHBondContact O-N 2.82Å; R272-L274 HydrophobicContact CB-CD1 4.49Å; R272-L274 HydrophobicContact CB-CD2 3.61Å; R272-L274 HydrophobicContact CB-CG 3.79Å; R272-L274 PolarHBondContact O-N 3.18Å
273N97.7Very high98.1Very high62 Ų6233.7 Ų33.733%0.33216%0.159SC..THydrogen-bonded Turntrans48.543.9-177-163.523.1000113.3S269 I270 R275 G303 E304S269-N273 CarbonylContact O-C 3.54Å; S269-N273 WeakPolarHBondContact O-CA 3.47Å; S269-N273 PolarHBondContact O-N 3.1Å; I270-N273 PolarHBondContact O-N 3.38Å; I270-N273 VanDerWaalsContact O-N 3.1Å; N273-R275 PolarHBondContact O-N 2.93Å; N273-G303 WeakPolarHBondContact OD1-CA 3.45Å; N273-E304 HydrophobicContact CB-CB 4.12Å; N273-E304 HydrophobicContact CB-CG 4.49Å; N273-E304 PolarHBondContact OD1-N 2.96Å
274L97.8Very high98Very high73 Ų7333.7 Ų33.738%0.38216%0.159SC..  trans-71.5-16.4-170.9-59.3-178.2000113.7S269 R272 Q276S269-L274 PolarHBondContact O-N 3.07Å; R272-L274 HydrophobicContact CB-CD1 4.49Å; R272-L274 HydrophobicContact CB-CD2 3.61Å; R272-L274 HydrophobicContact CB-CG 3.79Å; R272-L274 PolarHBondContact O-N 3.18Å; L274-Q276 HydrophobicContact CB-CG 3.89Å; L274-Q276 PolarHBondContact O-N 3.31Å
275R97.7Very high97.9Very high113 Ų11338.6 Ų38.643%0.42618%0.18SC..  trans55.836.2-177.9-53.7-174.763747.5112.6N273 I301 L302 T308 H309N273-R275 PolarHBondContact O-N 2.93Å; R275-I301 HydrophobicContact CB-CG2 3.87Å; R275-I301 WeakPolarHBondContact O-CG2 3.06Å; R275-L302 WeakPolarHBondContact CA-O 3.49Å; R275-L302 PolarHBondContact N-O 2.77Å; R275-L302 VanDerWaalsContact N-O 3.08Å; R275-T308 PolarHBondContact NH2-OG1 3.48Å; R275-H309 PolarHBondContact NH2-CE1 3.3Å; R275-H309 VanDerWaalsContact NH2-CE1 3.3Å; R275-H309 PolarHBondContact NH2-ND1 2.89Å
276Q97.5Very high97.9Very high83 Ų8338.1 Ų38.139%0.38819%0.192SC..EExtended strand (participates in β ladder)trans-78.1156175.9-72.4178.5-41.800111.3L274 F278 I301 L302L274-Q276 HydrophobicContact CB-CG 3.89Å; L274-Q276 PolarHBondContact O-N 3.31Å; Q276-F278 HydrophobicContact CB-CD2 4.29Å; Q276-F278 HydrophobicContact CB-CE2 3.5Å; Q276-F278 HydrophobicContact CB-CZ 3.99Å; Q276-F278 WeakPolarHBondContact O-CD2 3.32Å; Q276-I301 WeakPolarHBondContact O-CA 3.04Å; Q276-L302 PolarHBondContact O-N 3.44Å; Q276-L302 VanDerWaalsContact O-N 3.08Å
277V98.4Very high97.8Very high64 Ų6440.5 Ų40.539%0.38820%0.203SC..EExtended strand (participates in β ladder)trans-92.8129178.7-1720000110.3W195 P299 C300 I301 V311W195-V277 HydrophobicContact CH2-CB 4.17Å; W195-V277 HydrophobicContact CH2-CG1 3.62Å; W195-V277 HydrophobicContact CZ2-CG1 4.11Å; W195-V277 HydrophobicContact CZ3-CG1 4.39Å; V277-P299 HydrophobicContact CG1-CB 3.66Å; V277-C300 CarbonylContact C-O 3.54Å; V277-C300 VanDerWaalsContact CA-O 3.26Å; V277-C300 WeakPolarHBondContact CA-O 3.24Å; V277-I301 HydrophobicContact CG2-CG1 4.23Å; V277-V311 HydrophobicContact CG1-CG2 4.25Å
278F98.7Very high97.7Very high5 Ų541.2 Ų41.22%0.02221%0.206CC..EExtended strand (participates in β ladder)trans-132.9152.5177.9-62.6-96.9000110.8N171 I266 S269 Q276 L280 P299 C300 L302N171-F278 WeakPolarHBondContact OD1-CD1 3.28Å; I266-F278 HydrophobicContact CG1-CD1 3.79Å; I266-F278 HydrophobicContact CG1-CE1 3.92Å; I266-F278 HydrophobicContact CG1-CG 4.45Å; S269-F278 VanDerWaalsContact CB-CE2 3.48Å; S269-F278 WeakPolarHBondContact OG-CE2 3.3Å; Q276-F278 HydrophobicContact CB-CD2 4.29Å; Q276-F278 HydrophobicContact CB-CE2 3.5Å; Q276-F278 HydrophobicContact CB-CZ 3.99Å; Q276-F278 WeakPolarHBondContact O-CD2 3.32Å; F278-L280 HydrophobicContact CB-CD1 3.86Å; F278-L280 HydrophobicContact CB-CD2 3.95Å; F278-L280 HydrophobicContact CB-CG 3.62Å; F278-L280 PolarHBondContact O-N 3.19Å; F278-P299 CarbonylContact O-C 3.3Å; F278-P299 VanDerWaalsContact O-CA 3.26Å; F278-P299 WeakPolarHBondContact O-CA 3.46Å; F278-C300 PolarHBondContact N-O 3.38Å; F278-C300 PolarHBondContact O-N 3.31Å; F278-C300 PolarHBondContact O-SG 3.19Å; F278-L302 HydrophobicContact CD2-CB 4.2Å; F278-L302 HydrophobicContact CD2-CD1 3.61Å; F278-L302 HydrophobicContact CD2-CG 4.02Å; F278-L302 HydrophobicContact CE2-CB 4.25Å; F278-L302 HydrophobicContact CE2-CD1 3.89Å; F278-L302 HydrophobicContact CE2-CG 4.46Å; F278-L302 HydrophobicContact CG-CD1 4.16Å
279A98.6Very high97.6Very high0 Ų042.4 Ų42.40%023%0.225CC..EExtended strand (participates in β ladder)trans-90.795.8172.100000109T170 N171 W195T170-A279 CarbonylContact C-O 3.55Å; T170-A279 PolarHBondContact N-O 2.84Å; T170-A279 WeakPolarHBondContact OG1-CB 3.49Å; N171-A279 WeakPolarHBondContact CA-O 3.22Å; N171-A279 WeakPolarHBondContact CB-O 3.42Å; N171-A279 PolarHBondContact N-O 3.07Å; W195-A279 HydrophobicContact CE3-CB 3.88Å; W195-A279 HydrophobicContact CZ3-CB 3.92Å
280L98.8Very high97.6Very high0 Ų042.5 Ų42.50%023%0.226CC..EExtended strand (participates in β ladder)trans-124.5151.3-172.2-56.3176.1000110.7I166 G167 N171 I266 F278 V282 S297 L298 C300 L302 I307I166-L280 HydrophobicContact CG2-CB 3.81Å; I166-L280 HydrophobicContact CG2-CD1 3.53Å; I166-L280 HydrophobicContact CG2-CG 4.19Å; G167-L280 WeakPolarHBondContact O-CB 3.35Å; N171-L280 HydrophobicContact CB-CD2 4.1Å; I266-L280 HydrophobicContact CD1-CD2 3.58Å; I266-L280 HydrophobicContact CG1-CD2 4.16Å; F278-L280 HydrophobicContact CB-CD1 3.86Å; F278-L280 HydrophobicContact CB-CD2 3.95Å; F278-L280 HydrophobicContact CB-CG 3.62Å; F278-L280 PolarHBondContact O-N 3.19Å; L280-V282 PolarHBondContact O-N 3.13Å; L280-S297 VanDerWaalsContact O-CA 3.26Å; L280-S297 WeakPolarHBondContact O-CA 3.4Å; L280-L298 PolarHBondContact N-O 3.19Å; L280-L298 PolarHBondContact O-N 3.35Å; L280-C300 VanDerWaalsContact CB-SG 3.6Å; L280-C300 VanDerWaalsContact CD1-SG 3.52Å; L280-L302 HydrophobicContact CD1-CD1 3.41Å; L280-L302 VanDerWaalsContact CD1-CD1 3.41Å; L280-L302 HydrophobicContact CD1-CD2 3.92Å; L280-L302 HydrophobicContact CD1-CG 3.77Å; L280-I307 HydrophobicContact CD1-CD1 4.25Å
281S98.8Very high97.5Very high0 Ų048.2 Ų48.20%026%0.256CS..EExtended strand (participates in β ladder)trans-70.6117.3174.9-160.40000110.3D148 G167 L296D148-S281 WeakPolarHBondContact CA-OG 3.42Å; D148-S281 WeakPolarHBondContact OD1-CB 3.09Å; D148-S281 PolarHBondContact OD1-OG 3.31Å; G167-S281 PolarHBondContact N-O 3.47Å; G167-S281 PolarHBondContact O-N 3.03Å; S281-L296 WeakPolarHBondContact CA-O 3.36Å; S281-L296 PolarHBondContact OG-N 2.92Å
282V98.5Very high97.5Very high5 Ų548.2 Ų48.23%0.0326%0.255CS..EExtended strand (participates in β ladder)trans-138.1160.8-177.1-64.20000109.8L280 V284 Y295 L296 L298 C300 I307 I310L280-V282 PolarHBondContact O-N 3.13Å; V282-V284 HydrophobicContact CG2-CG1 4.19Å; V282-V284 WeakPolarHBondContact O-CG1 3.34Å; V282-V284 PolarHBondContact O-N 3.36Å; V282-Y295 VanDerWaalsContact O-CA 3.28Å; V282-Y295 WeakPolarHBondContact O-CA 3.24Å; V282-L296 PolarHBondContact N-O 3.32Å; V282-L296 PolarHBondContact O-N 2.94Å; V282-L298 HydrophobicContact CG2-CB 4.45Å; V282-C300 HydrophobicContact CG1-CB 4.48Å; V282-I307 HydrophobicContact CG1-CD1 3.7Å; V282-I307 HydrophobicContact CG1-CG1 3.89Å; V282-I310 HydrophobicContact CB-CD1 4.18Å; V282-I310 HydrophobicContact CG2-CD1 3.68Å; V282-I310 HydrophobicContact CG2-CG1 4.17Å
283N97.6Very high97.4Very high8 Ų844.1 Ų44.14%0.04324%0.242CC..EExtended strand (participates in β ladder)trans-67.1118.7173.3-173.2-50.2000110.2K285 T294 Y295N283-K285 VanDerWaalsContact OD1-CB 3.31Å; N283-K285 WeakPolarHBondContact OD1-CB 3.23Å; N283-K285 PolarHBondContact OD1-N 2.8Å; N283-T294 WeakPolarHBondContact CA-O 3.44Å; N283-Y295 HydrophobicContact CB-CD2 4.2Å; N283-Y295 HydrophobicContact CB-CE1 4.25Å; N283-Y295 HydrophobicContact CB-CE2 3.71Å
284V97.5Very high97.3Very high0 Ų041.3 Ų41.30%023%0.227CC..  trans-104.311.3-174.2-60.30000114.6V282 G286 M287 I290 T294 L296 L298V282-V284 HydrophobicContact CG2-CG1 4.19Å; V282-V284 WeakPolarHBondContact O-CG1 3.34Å; V282-V284 PolarHBondContact O-N 3.36Å; V284-G286 PolarHBondContact O-N 3.47Å; V284-M287 WeakPolarHBondContact O-CB 3.43Å; V284-M287 PolarHBondContact O-N 3.49Å; V284-I290 HydrophobicContact CG2-CD1 3.97Å; V284-I290 HydrophobicContact CG2-CG2 4.15Å; V284-T294 HydrophobicContact CG2-CG2 3.69Å; V284-T294 PolarHBondContact N-O 2.67Å; V284-L296 HydrophobicContact CB-CD1 4.37Å; V284-L296 HydrophobicContact CB-CG 4.35Å; V284-L296 HydrophobicContact CG1-CD1 3.55Å; V284-L296 HydrophobicContact CG1-CG 3.78Å; V284-L296 HydrophobicContact CG2-CD1 4.2Å; V284-L296 HydrophobicContact CG2-CD2 3.96Å; V284-L296 HydrophobicContact CG2-CG 3.7Å; V284-L298 HydrophobicContact CB-CD1 4.19Å; V284-L298 HydrophobicContact CG1-CD1 3.51Å; V284-L298 HydrophobicContact CG1-CG 3.9Å
285K97.1Very high97.3Very high102 Ų10237.9 Ų37.944%0.44321%0.209SC..THydrogen-bonded Turntrans-57129.3178.4-176.8177.4176-177.40110.7N283 I290 D291 F292 E293N283-K285 VanDerWaalsContact OD1-CB 3.31Å; N283-K285 WeakPolarHBondContact OD1-CB 3.23Å; N283-K285 PolarHBondContact OD1-N 2.8Å; K285-I290 CarbonylContact C-O 3.6Å; K285-D291 WeakPolarHBondContact CE-O 3.27Å; K285-F292 WeakPolarHBondContact CB-O 3.27Å; K285-E293 HydrophobicContact CD-CG 3.73Å
286G96.4Very high97.4Very high59 Ų5932.5 Ų32.561%0.60819%0.189SC*.THydrogen-bonded Turntrans85.75.5-176.500000114.4V284 I290V284-G286 PolarHBondContact O-N 3.47Å; G286-I290 PolarHBondContact N-O 3.39Å
287M96.7Very high97.4Very high50 Ų5028.5 Ų28.525%0.24617%0.17CC..BIsolated β-bridgetrans-111.6139.2-178.9-56.4-172.7179.100111.2V284 G289 I290 L298 I310V284-M287 WeakPolarHBondContact O-CB 3.43Å; V284-M287 PolarHBondContact O-N 3.49Å; M287-G289 PolarHBondContact O-N 2.86Å; M287-I290 WeakPolarHBondContact O-CB 3.18Å; M287-I290 PolarHBondContact O-N 2.8Å; M287-L298 HydrophobicContact CB-CD1 4.33Å; M287-L298 HydrophobicContact SD-CD1 3.82Å; M287-I310 HydrophobicContact CE-CB 3.85Å; M287-I310 HydrophobicContact CE-CD1 3.53Å; M287-I310 HydrophobicContact CE-CG1 4.23Å; M287-I310 HydrophobicContact CE-CG2 4.12Å; M287-I310 HydrophobicContact SD-CB 4Å; M287-I310 HydrophobicContact SD-CD1 3.94Å; M287-I310 HydrophobicContact SD-CG2 3.56Å; M287-I310 VanDerWaalsContact SD-CG2 3.56Å
288H97Very high97.4Very high14 Ų1425.5 Ų25.57%0.06515%0.152CC..THydrogen-bonded Turntrans51.729.8177.2-58.3-68.1000114.9H312 Q313 R320 L323 Q324H288-H312 AromaticContact CE1-CD2 3.47Å; H288-H312 PolarHBondContact CE1-CD2 3.42Å; H288-H312 VanDerWaalsContact CE1-CD2 3.47Å; H288-H312 AromaticContact CE1-NE2 3.91Å; H288-H312 AromaticContact ND1-CD2 3.99Å; H288-H312 AromaticContact ND1-NE2 3.96Å; H288-H312 AromaticContact NE2-CD2 3.97Å; H288-Q313 PolarHBondContact CE1-O 3.02Å; H288-Q313 VanDerWaalsContact CE1-O 3.27Å; H288-R320 HydrophobicContact CB-CG 4.44Å; H288-L323 HydrophobicContact CB-CD2 3.93Å; H288-Q324 PolarHBondContact O-NE2 2.74Å
289G96Very high97.4Very high52 Ų5225.4 Ų25.454%0.53615%0.152SC..THydrogen-bonded Turntrans76.821.6-178.400000114.8M287M287-G289 PolarHBondContact O-N 2.86Å
290I97.3Very high97.4Very high2 Ų225.4 Ų25.41%0.0115%0.152CC..BIsolated β-bridgetrans-98.1107.1175.3-60.2163000108.8V284 K285 G286 M287 F292 T294 L296 L323 Q324 A327V284-I290 HydrophobicContact CG2-CD1 3.97Å; V284-I290 HydrophobicContact CG2-CG2 4.15Å; K285-I290 CarbonylContact C-O 3.6Å; G286-I290 PolarHBondContact N-O 3.39Å; M287-I290 WeakPolarHBondContact O-CB 3.18Å; M287-I290 PolarHBondContact O-N 2.8Å; I290-F292 HydrophobicContact CG2-CD1 4.42Å; I290-F292 HydrophobicContact CG2-CD2 3.94Å; I290-F292 HydrophobicContact CG2-CE1 4.17Å; I290-F292 HydrophobicContact CG2-CE2 3.68Å; I290-F292 HydrophobicContact CG2-CG 4.32Å; I290-F292 HydrophobicContact CG2-CZ 3.81Å; I290-T294 HydrophobicContact CG2-CG2 4.17Å; I290-L296 HydrophobicContact CD1-CD2 4.25Å; I290-L323 HydrophobicContact CD1-CG 4.48Å; I290-Q324 HydrophobicContact CG1-CG 4.28Å; I290-A327 HydrophobicContact CD1-CB 3.59Å; I290-A327 HydrophobicContact CG1-CB 4.01Å; I290-A327 HydrophobicContact CG2-CB 4.25Å
291D96.1Very high97.4Very high124 Ų12427.2 Ų27.266%0.66316%0.161SC*.  trans-990.7-172.8-61.2-37.8000114.6K285K285-D291 WeakPolarHBondContact CE-O 3.27Å
292F96.5Very high97.3Very high49 Ų4927.2 Ų27.222%0.21516%0.161CC..SBendtrans-105.6154.617846.7-95000112K285 I290 T294 A327 K328 F331K285-F292 WeakPolarHBondContact CB-O 3.27Å; I290-F292 HydrophobicContact CG2-CD1 4.42Å; I290-F292 HydrophobicContact CG2-CD2 3.94Å; I290-F292 HydrophobicContact CG2-CE1 4.17Å; I290-F292 HydrophobicContact CG2-CE2 3.68Å; I290-F292 HydrophobicContact CG2-CG 4.32Å; I290-F292 HydrophobicContact CG2-CZ 3.81Å; F292-T294 HydrophobicContact CD2-CG2 3.95Å; F292-T294 HydrophobicContact CE2-CG2 3.74Å; F292-T294 PolarHBondContact O-N 2.91Å; F292-T294 VanDerWaalsContact O-N 3.17Å; F292-A327 HydrophobicContact CE2-CB 4.09Å; F292-A327 HydrophobicContact CZ-CB 4.11Å; F292-K328 HydrophobicContact CZ-CB 4.5Å; F292-F331 HydrophobicContact CB-CD1 4.2Å; F292-F331 HydrophobicContact CB-CD2 4.21Å; F292-F331 HydrophobicContact CB-CE1 3.71Å; F292-F331 HydrophobicContact CB-CE2 3.79Å; F292-F331 HydrophobicContact CB-CG 4.41Å; F292-F331 HydrophobicContact CB-CZ 3.51Å; F292-F331 HydrophobicContact CD1-CD1 4.04Å; F292-F331 AromaticContact CD1-CE1 4Å; F292-F331 HydrophobicContact CD1-CE1 4Å; F292-F331 HydrophobicContact CD2-CB 3.67Å; F292-F331 AromaticContact CD2-CD1 3.62Å; F292-F331 HydrophobicContact CD2-CD1 3.62Å; F292-F331 AromaticContact CD2-CD2 3.72Å; F292-F331 HydrophobicContact CD2-CD2 3.72Å; F292-F331 HydrophobicContact CD2-CE1 4.04Å; F292-F331 HydrophobicContact CD2-CE2 4.2Å; F292-F331 AromaticContact CD2-CG 3.41Å; F292-F331 HydrophobicContact CD2-CG 3.41Å; F292-F331 VanDerWaalsContact CD2-CG 3.41Å; F292-F331 HydrophobicContact CD2-CZ 4.34Å; F292-F331 HydrophobicContact CE1-CD1 4.32Å; F292-F331 HydrophobicContact CE2-CB 3.48Å; F292-F331 VanDerWaalsContact CE2-CB 3.48Å; F292-F331 AromaticContact CE2-CD1 3.92Å; F292-F331 HydrophobicContact CE2-CD1 3.92Å; F292-F331 HydrophobicContact CE2-CD2 4.43Å; F292-F331 AromaticContact CE2-CG 3.74Å; F292-F331 HydrophobicContact CE2-CG 3.74Å; F292-F331 AromaticContact CG-CD1 3.68Å; F292-F331 HydrophobicContact CG-CD1 3.68Å; F292-F331 HydrophobicContact CG-CD2 4.17Å; F292-F331 AromaticContact CG-CE1 3.65Å; F292-F331 HydrophobicContact CG-CE1 3.65Å; F292-F331 HydrophobicContact CG-CE2 4.22Å; F292-F331 AromaticContact CG-CG 3.92Å; F292-F331 HydrophobicContact CG-CG 3.92Å; F292-F331 AromaticContact CG-CZ 3.95Å; F292-F331 HydrophobicContact CG-CZ 3.95Å; F292-F331 HydrophobicContact CZ-CB 4.28Å; F292-F331 HydrophobicContact CZ-CD1 4.25Å; F292-F331 HydrophobicContact CZ-CG 4.49Å
293E94.9Very high97.3Very high62 Ų6227 Ų2729%0.2916%0.16SC..  trans-72.3108.3174.5-65.7-169.2154.600109.8W155 K156 K285 Q334W155-E293 WeakPolarHBondContact CH2-OE1 3.38Å; W155-E293 WeakPolarHBondContact CH2-OE2 3.4Å; W155-E293 WeakPolarHBondContact CZ3-OE2 3.1Å; K156-E293 IonicContact NZ-OE2 3.02Å; K156-E293 PolarHBondContact NZ-OE2 2.87Å; K285-E293 HydrophobicContact CD-CG 3.73Å; E293-Q334 PolarHBondContact O-NE2 3.1Å; E293-Q334 PolarHBondContact O-OE1 2.74Å
294T96.1Very high97.2Very high2 Ų233.5 Ų33.51%0.01219%0.19CC..  trans-143.5157.6168.8-1640000109.6N283 V284 I290 F292 A327N283-T294 WeakPolarHBondContact CA-O 3.44Å; V284-T294 HydrophobicContact CG2-CG2 3.69Å; V284-T294 PolarHBondContact N-O 2.67Å; I290-T294 HydrophobicContact CG2-CG2 4.17Å; F292-T294 HydrophobicContact CD2-CG2 3.95Å; F292-T294 HydrophobicContact CE2-CG2 3.74Å; F292-T294 PolarHBondContact O-N 2.91Å; F292-T294 VanDerWaalsContact O-N 3.17Å; T294-A327 HydrophobicContact CG2-CB 4.1Å
295Y98.2Very high97.2Very high1 Ų135.6 Ų35.60%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-105.1134.2173.7-83.5-110.9000108.7D148 T151 Y152 W155 V282 N283 L330D148-Y295 WeakPolarHBondContact CB-O 3.09Å; D148-Y295 VanDerWaalsContact O-CB 3.32Å; D148-Y295 WeakPolarHBondContact O-CB 3.35Å; T151-Y295 HydrophobicContact CG2-CD1 3.31Å; T151-Y295 HydrophobicContact CG2-CE1 3.49Å; T151-Y295 VanDerWaalsContact CG2-CE1 3.49Å; T151-Y295 HydrophobicContact CG2-CG 4.19Å; Y152-Y295 HydrophobicContact CD2-CD2 4.09Å; Y152-Y295 HydrophobicContact CD2-CE2 4.28Å; Y152-Y295 HydrophobicContact CG-CD2 4.47Å; W155-Y295 HydrophobicContact CB-CE2 4.26Å; W155-Y295 WeakPolarHBondContact CB-OH 3.4Å; W155-Y295 HydrophobicContact CD2-CE2 4.05Å; W155-Y295 AromaticContact CE3-CE2 3.61Å; W155-Y295 HydrophobicContact CE3-CE2 3.61Å; W155-Y295 HydrophobicContact CG-CE2 4.33Å; W155-Y295 HydrophobicContact CZ3-CE2 4.26Å; V282-Y295 VanDerWaalsContact O-CA 3.28Å; V282-Y295 WeakPolarHBondContact O-CA 3.24Å; N283-Y295 HydrophobicContact CB-CD2 4.2Å; N283-Y295 HydrophobicContact CB-CE1 4.25Å; N283-Y295 HydrophobicContact CB-CE2 3.71Å; Y295-L330 WeakPolarHBondContact O-CD1 3.48Å
296L98.3Very high97.2Very high0 Ų030.7 Ų30.70%019%0.19CC..EExtended strand (participates in β ladder)trans-159.2172.5169.261.776.4000108.9S281 V282 V284 I290 L298 L323 A327 L330S281-L296 WeakPolarHBondContact CA-O 3.36Å; S281-L296 PolarHBondContact OG-N 2.92Å; V282-L296 PolarHBondContact N-O 3.32Å; V282-L296 PolarHBondContact O-N 2.94Å; V284-L296 HydrophobicContact CB-CD1 4.37Å; V284-L296 HydrophobicContact CB-CG 4.35Å; V284-L296 HydrophobicContact CG1-CD1 3.55Å; V284-L296 HydrophobicContact CG1-CG 3.78Å; V284-L296 HydrophobicContact CG2-CD1 4.2Å; V284-L296 HydrophobicContact CG2-CD2 3.96Å; V284-L296 HydrophobicContact CG2-CG 3.7Å; I290-L296 HydrophobicContact CD1-CD2 4.25Å; L296-L298 HydrophobicContact CD1-CD2 4.25Å; L296-L298 HydrophobicContact CD1-CG 3.97Å; L296-L323 HydrophobicContact CD1-CD1 3.77Å; L296-L323 HydrophobicContact CD2-CD1 4.17Å; L296-A327 HydrophobicContact CD2-CB 3.49Å; L296-A327 VanDerWaalsContact CD2-CB 3.49Å; L296-L330 HydrophobicContact CB-CD1 3.95Å
297S98.8Very high97.3Very high0 Ų028.9 Ų28.90%017%0.166CC..EExtended strand (participates in β ladder)trans-81.8126.6-174.4-55.60000113.4G169 T170 I197 G198 L280G169-S297 WeakPolarHBondContact CA-OG 3.34Å; T170-S297 PolarHBondContact N-OG 3.22Å; T170-S297 WeakPolarHBondContact OG1-CB 3.4Å; T170-S297 PolarHBondContact OG1-OG 3.21Å; I197-S297 VanDerWaalsContact CB-O 3.31Å; I197-S297 WeakPolarHBondContact CB-O 3.37Å; G198-S297 PolarHBondContact N-O 2.6Å; G198-S297 VanDerWaalsContact O-CB 3.28Å; G198-S297 WeakPolarHBondContact O-CB 3.42Å; G198-S297 PolarHBondContact O-N 2.87Å; G198-S297 PolarHBondContact O-OG 3.38Å; L280-S297 VanDerWaalsContact O-CA 3.26Å; L280-S297 WeakPolarHBondContact O-CA 3.4Å
298L98.6Very high97.4Very high1 Ų129 Ų291%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-133.1158.9165.6-70.3179.4000109.2I197 L280 V282 V284 M287 L296 C300 I310 L323I197-L298 HydrophobicContact CD1-CD2 4.19Å; L280-L298 PolarHBondContact N-O 3.19Å; L280-L298 PolarHBondContact O-N 3.35Å; V282-L298 HydrophobicContact CG2-CB 4.45Å; V284-L298 HydrophobicContact CB-CD1 4.19Å; V284-L298 HydrophobicContact CG1-CD1 3.51Å; V284-L298 HydrophobicContact CG1-CG 3.9Å; M287-L298 HydrophobicContact CB-CD1 4.33Å; M287-L298 HydrophobicContact SD-CD1 3.82Å; L296-L298 HydrophobicContact CD1-CD2 4.25Å; L296-L298 HydrophobicContact CD1-CG 3.97Å; L298-C300 PolarHBondContact O-N 3.03Å; L298-I310 HydrophobicContact CB-CG2 3.84Å; L298-I310 HydrophobicContact CD1-CG2 3.85Å; L298-L323 HydrophobicContact CD2-CD2 4.08Å
299P98.5Very high97.4Very high3 Ų333.3 Ų33.32%0.01919%0.19CC..EExtended strand (participates in β ladder)trans-66.7127.2173.4-11.726000109.8W195 I197 V277 F278 V311 Q313W195-P299 HydrophobicContact CD2-CG 4.31Å; W195-P299 HydrophobicContact CE3-CB 4.26Å; W195-P299 HydrophobicContact CE3-CG 4.13Å; W195-P299 HydrophobicContact CH2-CB 4.32Å; W195-P299 HydrophobicContact CZ3-CB 4.1Å; W195-P299 HydrophobicContact CZ3-CG 4.46Å; I197-P299 HydrophobicContact CG2-CG 4.47Å; V277-P299 HydrophobicContact CG1-CB 3.66Å; F278-P299 CarbonylContact O-C 3.3Å; F278-P299 VanDerWaalsContact O-CA 3.26Å; F278-P299 WeakPolarHBondContact O-CA 3.46Å; P299-V311 HydrophobicContact CB-CB 4.07Å; P299-V311 HydrophobicContact CB-CG2 4.22Å; P299-V311 WeakPolarHBondContact O-CB 3.28Å; P299-V311 PolarHBondContact O-N 3.3Å; P299-Q313 HydrophobicContact CG-CG 3.84Å; P299-Q313 VanDerWaalsContact CG-OE1 3.32Å
300C98.5Very high97.5Very high0 Ų032.8 Ų32.80%018%0.175CC..EExtended strand (participates in β ladder)trans-137.5150.5-173.662.70000111V277 F278 L280 V282 L298 I307 H309 I310V277-C300 CarbonylContact C-O 3.54Å; V277-C300 VanDerWaalsContact CA-O 3.26Å; V277-C300 WeakPolarHBondContact CA-O 3.24Å; F278-C300 PolarHBondContact N-O 3.38Å; F278-C300 PolarHBondContact O-N 3.31Å; F278-C300 PolarHBondContact O-SG 3.19Å; L280-C300 VanDerWaalsContact CB-SG 3.6Å; L280-C300 VanDerWaalsContact CD1-SG 3.52Å; V282-C300 HydrophobicContact CG1-CB 4.48Å; L298-C300 PolarHBondContact O-N 3.03Å; C300-I307 HydrophobicContact CB-CD1 3.78Å; C300-I307 HydrophobicContact CB-CG2 4.18Å; C300-I307 WeakPolarHBondContact SG-CD1 3.31Å; C300-H309 CarbonylContact C-O 3.56Å; C300-H309 VanDerWaalsContact CA-O 3.28Å; C300-H309 WeakPolarHBondContact CA-O 3.46Å; C300-I310 HydrophobicContact CB-CG1 4.39Å
301I98.5Very high97.6Very high37 Ų3735.3 Ų35.319%0.1919%0.19CC..EExtended strand (participates in β ladder)trans-97116.4-178.6-56.9-176000109.3R275 Q276 V277 T308 H309R275-I301 HydrophobicContact CB-CG2 3.87Å; R275-I301 WeakPolarHBondContact O-CG2 3.06Å; Q276-I301 WeakPolarHBondContact O-CA 3.04Å; V277-I301 HydrophobicContact CG2-CG1 4.23Å; I301-T308 WeakPolarHBondContact CG2-OG1 3.45Å; I301-T308 PolarHBondContact O-N 3Å; I301-T308 PolarHBondContact O-OG1 2.81Å; I301-H309 HydrophobicContact CB-CB 4.09Å; I301-H309 HydrophobicContact CD1-CB 3.86Å; I301-H309 HydrophobicContact CG1-CB 4.02Å; I301-H309 PolarHBondContact N-O 2.88Å
302L97.3Very high97.5Very high0 Ų035.8 Ų35.80%019%0.188CC..EExtended strand (participates in β ladder)trans-95.6123.8-179.9-77.1-179.3000113.4I166 I266 S269 I270 R275 Q276 F278 L280 I307I166-L302 HydrophobicContact CD1-CD2 3.57Å; I266-L302 HydrophobicContact CG2-CD1 3.73Å; S269-L302 PolarHBondContact OG-O 3.39Å; I270-L302 HydrophobicContact CD1-CD1 4.36Å; I270-L302 HydrophobicContact CG1-CB 4.4Å; I270-L302 HydrophobicContact CG1-CD1 4.21Å; I270-L302 HydrophobicContact CG1-CD2 4.38Å; R275-L302 WeakPolarHBondContact CA-O 3.49Å; R275-L302 PolarHBondContact N-O 2.77Å; R275-L302 VanDerWaalsContact N-O 3.08Å; Q276-L302 PolarHBondContact O-N 3.44Å; Q276-L302 VanDerWaalsContact O-N 3.08Å; F278-L302 HydrophobicContact CD2-CB 4.2Å; F278-L302 HydrophobicContact CD2-CD1 3.61Å; F278-L302 HydrophobicContact CD2-CG 4.02Å; F278-L302 HydrophobicContact CE2-CB 4.25Å; F278-L302 HydrophobicContact CE2-CD1 3.89Å; F278-L302 HydrophobicContact CE2-CG 4.46Å; F278-L302 HydrophobicContact CG-CD1 4.16Å; L280-L302 HydrophobicContact CD1-CD1 3.41Å; L280-L302 VanDerWaalsContact CD1-CD1 3.41Å; L280-L302 HydrophobicContact CD1-CD2 3.92Å; L280-L302 HydrophobicContact CD1-CG 3.77Å; L302-I307 HydrophobicContact CD2-CD1 3.49Å; L302-I307 VanDerWaalsContact CD2-CD1 3.49Å; L302-I307 HydrophobicContact CD2-CG1 4.29Å; L302-I307 HydrophobicContact CG-CD1 4.35Å
303G97.2Very high97.5Very high0 Ų034.7 Ų34.70%018%0.183CC..EExtended strand (participates in β ladder)trans-119.4-172.5168.400000112.7N273 G305 G306N273-G303 WeakPolarHBondContact OD1-CA 3.45Å; G303-G305 PolarHBondContact O-N 3.32Å; G303-G306 PolarHBondContact N-O 3.41Å; G303-G306 PolarHBondContact O-N 3.49Å
304E96.8Very high97.5Very high145 Ų14539.4 Ų39.468%0.67821%0.205SC*.THydrogen-bonded Turntrans-61.3-26.9-179.365.3-180177.300114.1I139 I270 N273I139-E304 WeakPolarHBondContact CD1-O 3.46Å; I270-E304 WeakPolarHBondContact O-CA 3.3Å; N273-E304 HydrophobicContact CB-CB 4.12Å; N273-E304 HydrophobicContact CB-CG 4.49Å; N273-E304 PolarHBondContact OD1-N 2.96Å
305G96.4Very high97.5Very high44 Ų4439.7 Ų39.745%0.45421%0.207SC..THydrogen-bonded Turntrans-91.13.9176.800000114.6R164 G303R164-G305 WeakPolarHBondContact CG-O 3.43Å; G303-G305 PolarHBondContact O-N 3.32Å
306G97.9Very high97.4Very high0 Ų041.4 Ų41.40%022%0.219CC..EExtended strand (participates in β ladder)trans103.2-139.5-177.100000112.6E163 G303 T308E163-G306 CarbonylContact O-C 3.49Å; E163-G306 WeakPolarHBondContact O-CA 3.39Å; G303-G306 PolarHBondContact N-O 3.41Å; G303-G306 PolarHBondContact O-N 3.49Å; G306-T308 PolarHBondContact O-N 2.88Å
307I98.4Very high97.3Very high21 Ų2145.4 Ų45.411%0.10825%0.252CS..EExtended strand (participates in β ladder)trans-72.4116.3-179.6-55.6-71.6000110E163 I166 L280 V282 C300 L302 I310E163-I307 HydrophobicContact CB-CB 4.17Å; E163-I307 VanDerWaalsContact CB-O 3.25Å; E163-I307 WeakPolarHBondContact CB-O 3.43Å; E163-I307 PolarHBondContact O-N 3.18Å; I166-I307 HydrophobicContact CD1-CD1 3.97Å; I166-I307 HydrophobicContact CD1-CG1 3.8Å; I166-I307 HydrophobicContact CG1-CD1 4.28Å; I166-I307 HydrophobicContact CG1-CG1 3.92Å; I166-I307 HydrophobicContact CG2-CD1 4.23Å; L280-I307 HydrophobicContact CD1-CD1 4.25Å; V282-I307 HydrophobicContact CG1-CD1 3.7Å; V282-I307 HydrophobicContact CG1-CG1 3.89Å; C300-I307 HydrophobicContact CB-CD1 3.78Å; C300-I307 HydrophobicContact CB-CG2 4.18Å; C300-I307 WeakPolarHBondContact SG-CD1 3.31Å; L302-I307 HydrophobicContact CD2-CD1 3.49Å; L302-I307 VanDerWaalsContact CD2-CD1 3.49Å; L302-I307 HydrophobicContact CD2-CG1 4.29Å; L302-I307 HydrophobicContact CG-CD1 4.35Å; I307-I310 HydrophobicContact CG2-CG1 4.08Å
308T98Very high97.1Very high53 Ų5349 Ų4933%0.32528%0.277SS..EExtended strand (participates in β ladder)trans-93.9-33.3177.263.70000112.1R275 I301 G306R275-T308 PolarHBondContact NH2-OG1 3.48Å; I301-T308 WeakPolarHBondContact CG2-OG1 3.45Å; I301-T308 PolarHBondContact O-N 3Å; I301-T308 PolarHBondContact O-OG1 2.81Å; G306-T308 PolarHBondContact O-N 2.88Å
309H98.1Very high97Very high103 Ų10349.1 Ų49.148%0.47728%0.277SS..EExtended strand (participates in β ladder)trans-150153.4-177.9-58.172.6000110R275 C300 I301R275-H309 PolarHBondContact NH2-CE1 3.3Å; R275-H309 VanDerWaalsContact NH2-CE1 3.3Å; R275-H309 PolarHBondContact NH2-ND1 2.89Å; C300-H309 CarbonylContact C-O 3.56Å; C300-H309 VanDerWaalsContact CA-O 3.28Å; C300-H309 WeakPolarHBondContact CA-O 3.46Å; I301-H309 HydrophobicContact CB-CB 4.09Å; I301-H309 HydrophobicContact CD1-CB 3.86Å; I301-H309 HydrophobicContact CG1-CB 4.02Å; I301-H309 PolarHBondContact N-O 2.88Å
310I98.1Very high97Very high42 Ų4254 Ų5422%0.21530%0.296CS..EExtended strand (participates in β ladder)trans-115.4129.2166.5-60.7167.3000106.9V282 M287 L298 C300 I307 H312V282-I310 HydrophobicContact CB-CD1 4.18Å; V282-I310 HydrophobicContact CG2-CD1 3.68Å; V282-I310 HydrophobicContact CG2-CG1 4.17Å; M287-I310 HydrophobicContact CE-CB 3.85Å; M287-I310 HydrophobicContact CE-CD1 3.53Å; M287-I310 HydrophobicContact CE-CG1 4.23Å; M287-I310 HydrophobicContact CE-CG2 4.12Å; M287-I310 HydrophobicContact SD-CB 4Å; M287-I310 HydrophobicContact SD-CD1 3.94Å; M287-I310 HydrophobicContact SD-CG2 3.56Å; M287-I310 VanDerWaalsContact SD-CG2 3.56Å; L298-I310 HydrophobicContact CB-CG2 3.84Å; L298-I310 HydrophobicContact CD1-CG2 3.85Å; C300-I310 HydrophobicContact CB-CG1 4.39Å; I307-I310 HydrophobicContact CG2-CG1 4.08Å; I310-H312 PolarHBondContact O-N 3.46Å
311V97.7Very high97Very high55 Ų5558.9 Ų58.933%0.33332%0.322SS..  trans-77.6119-177.4-179.40000108.8V277 P299 Q313V277-V311 HydrophobicContact CG1-CG2 4.25Å; P299-V311 HydrophobicContact CB-CB 4.07Å; P299-V311 HydrophobicContact CB-CG2 4.22Å; P299-V311 WeakPolarHBondContact O-CB 3.28Å; P299-V311 PolarHBondContact O-N 3.3Å; V311-Q313 HydrophobicContact CG1-CG 4.42Å; V311-Q313 PolarHBondContact O-N 2.95Å
312H95.2Very high96.9Very high134 Ų13460.7 Ų60.762%0.6233%0.329SS*.  trans-78.190.7175.3-167.2-177.8000110.1H288 I310H288-H312 AromaticContact CE1-CD2 3.47Å; H288-H312 PolarHBondContact CE1-CD2 3.42Å; H288-H312 VanDerWaalsContact CE1-CD2 3.47Å; H288-H312 AromaticContact CE1-NE2 3.91Å; H288-H312 AromaticContact ND1-CD2 3.99Å; H288-H312 AromaticContact ND1-NE2 3.96Å; H288-H312 AromaticContact NE2-CD2 3.97Å; I310-H312 PolarHBondContact O-N 3.46Å
313Q95.2Very high97Very high25 Ų2560.7 Ų60.712%0.11733%0.329CS..  trans-67.6143.5-178.1-68-174.7-75.700112.3H288 P299 V311 L315H288-Q313 PolarHBondContact CE1-O 3.02Å; H288-Q313 VanDerWaalsContact CE1-O 3.27Å; P299-Q313 HydrophobicContact CG-CG 3.84Å; P299-Q313 VanDerWaalsContact CG-OE1 3.32Å; V311-Q313 HydrophobicContact CG1-CG 4.42Å; V311-Q313 PolarHBondContact O-N 2.95Å; Q313-L315 VanDerWaalsContact C-N 3.34Å; Q313-L315 HydrophobicContact CB-CD2 3.87Å; Q313-L315 HydrophobicContact CB-CG 4.18Å; Q313-L315 PolarHBondContact O-N 3.47Å
314Q95.2Very high97Very high162 Ų16263.9 Ų63.976%0.75734%0.344SS*.  trans-82.579.7172.8-62-58.5-39.500110
315L96.8Very high97Very high7 Ų764 Ų644%0.03734%0.342CS..  trans-78.7139.3-179.9-56.7-179.3000111.5I197 V207 Q313 E319 R320 L323I197-L315 HydrophobicContact CD1-CD1 3.94Å; I197-L315 HydrophobicContact CD1-CD2 3.99Å; V207-L315 HydrophobicContact CG1-CD2 3.69Å; V207-L315 HydrophobicContact CG2-CD2 4.01Å; Q313-L315 VanDerWaalsContact C-N 3.34Å; Q313-L315 HydrophobicContact CB-CD2 3.87Å; Q313-L315 HydrophobicContact CB-CG 4.18Å; Q313-L315 PolarHBondContact O-N 3.47Å; L315-E319 HydrophobicContact CB-CB 4.11Å; L315-E319 HydrophobicContact CD2-CB 4.43Å; L315-R320 HydrophobicContact CB-CB 4.3Å; L315-R320 PolarHBondContact O-NH2 3.43Å; L315-L323 HydrophobicContact CD1-CD2 3.72Å
316S95.4Very high97Very high38 Ų3861.9 Ų61.927%0.26632%0.321SS..  trans-61.4162.5166.467.50000111.4S318 E319 R320S316-S318 VanDerWaalsContact C-N 3.25Å; S316-S318 PolarHBondContact O-N 2.9Å; S316-E319 VanDerWaalsContact CB-OE2 3.27Å; S316-E319 WeakPolarHBondContact CB-OE2 3.41Å; S316-E319 PolarHBondContact N-OE2 3.09Å; S316-E319 PolarHBondContact O-N 3.17Å; S316-E319 VanDerWaalsContact OG-CG 3.27Å; S316-E319 WeakPolarHBondContact OG-CG 3.43Å; S316-E319 PolarHBondContact OG-N 3.36Å; S316-E319 PolarHBondContact OG-OE2 3.29Å; S316-R320 WeakPolarHBondContact O-CB 3.44Å; S316-R320 PolarHBondContact O-N 3.19Å
317A96Very high97Very high84 Ų8461.9 Ų61.969%0.69432%0.321SS*.Hα-helixtrans-57.5-38.9179.300000112.5N321A317-N321 WeakPolarHBondContact O-CB 3.43Å; A317-N321 PolarHBondContact O-N 3.13Å
318S95.2Very high96.9Very high74 Ų7465 Ų6552%0.51733%0.334SS..Hα-helixtrans-67.1-48.5177.1-178.10000112.1S316 R320 N321 Q322S316-S318 VanDerWaalsContact C-N 3.25Å; S316-S318 PolarHBondContact O-N 2.9Å; S318-R320 VanDerWaalsContact C-N 3.32Å; S318-R320 PolarHBondContact O-N 3.26Å; S318-N321 PolarHBondContact O-N 3.18Å; S318-Q322 WeakPolarHBondContact O-CG 3.48Å; S318-Q322 PolarHBondContact O-N 3.44Å; S318-Q322 PolarHBondContact O-NE2 3.47Å; S318-Q322 PolarHBondContact OG-NE2 3.3Å; S318-Q322 VanDerWaalsContact OG-NE2 3.08Å
319E97.3Very high96.6Very high4 Ų465.2 Ų65.22%0.01934%0.335CS..Hα-helixtrans-61.9-40.9178.1-70.4158.6156.400111.5V205 V207 W208 S209 L315 S316 Q322 L323V205-E319 HydrophobicContact CG1-CB 4.39Å; V207-E319 WeakPolarHBondContact CA-OE1 3.32Å; W208-E319 PolarHBondContact N-OE1 3.05Å; S209-E319 WeakPolarHBondContact CB-OE1 3.5Å; S209-E319 WeakPolarHBondContact CB-OE2 3.44Å; S209-E319 PolarHBondContact N-OE1 2.85Å; S209-E319 VanDerWaalsContact OG-CD 3.23Å; S209-E319 PolarHBondContact OG-OE1 3Å; S209-E319 PolarHBondContact OG-OE2 3.03Å; L315-E319 HydrophobicContact CB-CB 4.11Å; L315-E319 HydrophobicContact CD2-CB 4.43Å; S316-E319 VanDerWaalsContact CB-OE2 3.27Å; S316-E319 WeakPolarHBondContact CB-OE2 3.41Å; S316-E319 PolarHBondContact N-OE2 3.09Å; S316-E319 PolarHBondContact O-N 3.17Å; S316-E319 VanDerWaalsContact OG-CG 3.27Å; S316-E319 WeakPolarHBondContact OG-CG 3.43Å; S316-E319 PolarHBondContact OG-N 3.36Å; S316-E319 PolarHBondContact OG-OE2 3.29Å; E319-Q322 PolarHBondContact O-N 3.11Å; E319-L323 WeakPolarHBondContact O-CB 3.49Å; E319-L323 PolarHBondContact O-N 3.32Å
320R97.8Very high96.5Very high106 Ų10660.4 Ų60.440%0.431%0.313SS..Hα-helixtrans-62.7-44.8176.1-171.2-178.2-55.3158.26.6112H288 L315 S316 S318 L323 Q324H288-R320 HydrophobicContact CB-CG 4.44Å; L315-R320 HydrophobicContact CB-CB 4.3Å; L315-R320 PolarHBondContact O-NH2 3.43Å; S316-R320 WeakPolarHBondContact O-CB 3.44Å; S316-R320 PolarHBondContact O-N 3.19Å; S318-R320 VanDerWaalsContact C-N 3.32Å; S318-R320 PolarHBondContact O-N 3.26Å; R320-L323 PolarHBondContact O-N 3.33Å; R320-Q324 VanDerWaalsContact O-CG 3.29Å; R320-Q324 WeakPolarHBondContact O-CG 3.48Å; R320-Q324 PolarHBondContact O-N 2.77Å
321N97.8Very high96.3Very high102 Ų10260.3 Ų60.355%0.54531%0.311SS..Hα-helixtrans-63.2-43.3177.4-174.2-4.9000111.2A317 S318 L323 Q324 K325A317-N321 WeakPolarHBondContact O-CB 3.43Å; A317-N321 PolarHBondContact O-N 3.13Å; S318-N321 PolarHBondContact O-N 3.18Å; N321-L323 VanDerWaalsContact C-N 3.34Å; N321-L323 PolarHBondContact O-N 3.38Å; N321-Q324 PolarHBondContact O-N 3.13Å; N321-K325 WeakPolarHBondContact O-CB 3.24Å; N321-K325 PolarHBondContact O-N 3.31Å
322Q97.4Very high96.1Very high75 Ų7560.5 Ų60.535%0.3531%0.31SS..Hα-helixtrans-60-43.3175.1-69.5173.257.200111.9V205 S318 E319 K325 S326V205-Q322 HydrophobicContact CG1-CB 4.05Å; V205-Q322 HydrophobicContact CG2-CB 3.75Å; S318-Q322 WeakPolarHBondContact O-CG 3.48Å; S318-Q322 PolarHBondContact O-N 3.44Å; S318-Q322 PolarHBondContact O-NE2 3.47Å; S318-Q322 PolarHBondContact OG-NE2 3.3Å; S318-Q322 VanDerWaalsContact OG-NE2 3.08Å; E319-Q322 PolarHBondContact O-N 3.11Å; Q322-K325 PolarHBondContact O-N 3.19Å; Q322-S326 WeakPolarHBondContact O-CB 3.36Å; Q322-S326 PolarHBondContact O-N 3.41Å
323L98.2Very high95.9Very high1 Ų155.4 Ų55.41%0.00529%0.287CS..Hα-helixtrans-62.4-45.1176.8-176.368000111.7I197 V205 H288 I290 L296 L298 L315 E319 R320 N321 K325 S326 A327I197-L323 HydrophobicContact CD1-CD1 4.02Å; I197-L323 HydrophobicContact CD1-CD2 4.15Å; I197-L323 HydrophobicContact CG1-CD1 4.14Å; V205-L323 HydrophobicContact CG2-CB 4.5Å; H288-L323 HydrophobicContact CB-CD2 3.93Å; I290-L323 HydrophobicContact CD1-CG 4.48Å; L296-L323 HydrophobicContact CD1-CD1 3.77Å; L296-L323 HydrophobicContact CD2-CD1 4.17Å; L298-L323 HydrophobicContact CD2-CD2 4.08Å; L315-L323 HydrophobicContact CD1-CD2 3.72Å; E319-L323 WeakPolarHBondContact O-CB 3.49Å; E319-L323 PolarHBondContact O-N 3.32Å; R320-L323 PolarHBondContact O-N 3.33Å; N321-L323 VanDerWaalsContact C-N 3.34Å; N321-L323 PolarHBondContact O-N 3.38Å; L323-K325 VanDerWaalsContact C-N 3.34Å; L323-K325 PolarHBondContact O-N 2.85Å; L323-S326 WeakPolarHBondContact O-CB 3.46Å; L323-S326 PolarHBondContact O-N 3.34Å; L323-A327 WeakPolarHBondContact O-CB 3.14Å; L323-A327 PolarHBondContact O-N 3.42Å
324Q98.1Very high95.8Very high66 Ų6654.8 Ų54.831%0.30828%0.284SS..Hα-helixtrans-62.6-40176.8-72.1170.1-18.500112H288 I290 R320 N321 A327 K328H288-Q324 PolarHBondContact O-NE2 2.74Å; I290-Q324 HydrophobicContact CG1-CG 4.28Å; R320-Q324 VanDerWaalsContact O-CG 3.29Å; R320-Q324 WeakPolarHBondContact O-CG 3.48Å; R320-Q324 PolarHBondContact O-N 2.77Å; N321-Q324 PolarHBondContact O-N 3.13Å; Q324-A327 WeakPolarHBondContact O-CB 3.27Å; Q324-A327 PolarHBondContact O-N 3.13Å; Q324-K328 WeakPolarHBondContact O-CB 3.37Å; Q324-K328 PolarHBondContact O-N 3.13Å
325K97.3Very high95.6Very high148 Ų14852.6 Ų52.664%0.64327%0.272SS*.Hα-helixtrans-63-45.8174.4-175.1180177.8-1780111.5N321 Q322 L323 A327 K328 T329N321-K325 WeakPolarHBondContact O-CB 3.24Å; N321-K325 PolarHBondContact O-N 3.31Å; Q322-K325 PolarHBondContact O-N 3.19Å; L323-K325 VanDerWaalsContact C-N 3.34Å; L323-K325 PolarHBondContact O-N 2.85Å; K325-A327 PolarHBondContact O-N 3.49Å; K325-K328 WeakPolarHBondContact O-CB 3.23Å; K325-K328 PolarHBondContact O-N 3.18Å; K325-T329 PolarHBondContact O-N 3.11Å; K325-T329 PolarHBondContact O-OG1 3.17Å
326S96.2Very high95.3Very high0 Ų057.1 Ų57.10%029%0.293CS..Hα-helixtrans-58.3-47.4175.4-174.90000111.5E199 S203 Q322 L323 K328 T329 L330E199-S326 WeakPolarHBondContact CB-OG 3.2Å; E199-S326 PolarHBondContact N-OG 3.19Å; S203-S326 WeakPolarHBondContact O-CB 3.41Å; S203-S326 PolarHBondContact O-OG 3.06Å; S203-S326 WeakPolarHBondContact OG-CB 3.5Å; S203-S326 PolarHBondContact OG-OG 3.05Å; Q322-S326 WeakPolarHBondContact O-CB 3.36Å; Q322-S326 PolarHBondContact O-N 3.41Å; L323-S326 WeakPolarHBondContact O-CB 3.46Å; L323-S326 PolarHBondContact O-N 3.34Å; S326-K328 VanDerWaalsContact C-N 3.31Å; S326-K328 PolarHBondContact O-N 3.42Å; S326-T329 PolarHBondContact O-N 3.31Å; S326-L330 PolarHBondContact O-N 3.14Å; S326-L330 VanDerWaalsContact O-N 3.09Å
327A97.7Very high94.9Very high0 Ų056.1 Ų56.10%028%0.284CS..Hα-helixtrans-57.6-43.3175.300000112.4I290 F292 T294 L296 L323 Q324 K325 L330 F331I290-A327 HydrophobicContact CD1-CB 3.59Å; I290-A327 HydrophobicContact CG1-CB 4.01Å; I290-A327 HydrophobicContact CG2-CB 4.25Å; F292-A327 HydrophobicContact CE2-CB 4.09Å; F292-A327 HydrophobicContact CZ-CB 4.11Å; T294-A327 HydrophobicContact CG2-CB 4.1Å; L296-A327 HydrophobicContact CD2-CB 3.49Å; L296-A327 VanDerWaalsContact CD2-CB 3.49Å; L323-A327 WeakPolarHBondContact O-CB 3.14Å; L323-A327 PolarHBondContact O-N 3.42Å; Q324-A327 WeakPolarHBondContact O-CB 3.27Å; Q324-A327 PolarHBondContact O-N 3.13Å; K325-A327 PolarHBondContact O-N 3.49Å; A327-L330 PolarHBondContact O-N 2.92Å; A327-F331 VanDerWaalsContact O-CB 3.3Å; A327-F331 WeakPolarHBondContact O-CB 3.45Å; A327-F331 PolarHBondContact O-N 3.5Å
328K96.4Very high94.1Very high87 Ų8759.5 Ų59.538%0.37829%0.286SS..Hα-helixtrans-64.7-43.4178.8178.256173.2149.70111.9F292 Q324 K325 S326 L330 F331 D332F292-K328 HydrophobicContact CZ-CB 4.5Å; Q324-K328 WeakPolarHBondContact O-CB 3.37Å; Q324-K328 PolarHBondContact O-N 3.13Å; K325-K328 WeakPolarHBondContact O-CB 3.23Å; K325-K328 PolarHBondContact O-N 3.18Å; S326-K328 VanDerWaalsContact C-N 3.31Å; S326-K328 PolarHBondContact O-N 3.42Å; K328-L330 PolarHBondContact O-N 3.18Å; K328-F331 PolarHBondContact O-N 2.86Å; K328-D332 WeakPolarHBondContact CE-OD2 3.3Å; K328-D332 VanDerWaalsContact NZ-CG 3.25Å; K328-D332 IonicContact NZ-OD1 3.6Å; K328-D332 PolarHBondContact NZ-OD1 3.29Å; K328-D332 IonicContact NZ-OD2 2.81Å; K328-D332 PolarHBondContact NZ-OD2 3.24Å; K328-D332 PolarHBondContact O-N 3.39Å
329T92.5Very high93.3Very high57 Ų5760.1 Ų60.135%0.3528%0.282SS..Hα-helixtrans-58.7-46175.3-63.60000111.9K325 S326 D332 I333K325-T329 PolarHBondContact O-N 3.11Å; K325-T329 PolarHBondContact O-OG1 3.17Å; S326-T329 PolarHBondContact O-N 3.31Å; T329-D332 PolarHBondContact O-N 2.84Å; T329-I333 PolarHBondContact O-N 2.92Å
330L94.6Very high93.1Very high2 Ų263 Ų631%0.0130%0.296CS..Hα-helixtrans-64.4-42.9176.8-69.8171.2000112D148 I149 E199 Y295 L296 S326 A327 K328 D332 I333 Q334D148-L330 HydrophobicContact CB-CD1 3.89Å; D148-L330 HydrophobicContact CB-CD2 4.11Å; I149-L330 HydrophobicContact CD1-CD2 4.17Å; I149-L330 HydrophobicContact CG1-CD2 3.97Å; E199-L330 HydrophobicContact CB-CD1 3.99Å; E199-L330 HydrophobicContact CB-CG 4.39Å; E199-L330 HydrophobicContact CG-CD1 4.42Å; E199-L330 HydrophobicContact CG-CD2 4.1Å; E199-L330 HydrophobicContact CG-CG 4.48Å; Y295-L330 WeakPolarHBondContact O-CD1 3.48Å; L296-L330 HydrophobicContact CB-CD1 3.95Å; S326-L330 PolarHBondContact O-N 3.14Å; S326-L330 VanDerWaalsContact O-N 3.09Å; A327-L330 PolarHBondContact O-N 2.92Å; K328-L330 PolarHBondContact O-N 3.18Å; L330-D332 VanDerWaalsContact C-N 3.34Å; L330-D332 PolarHBondContact O-N 2.65Å; L330-I333 PolarHBondContact O-N 3.4Å; L330-Q334 WeakPolarHBondContact O-CB 3.17Å; L330-Q334 PolarHBondContact O-N 3.11Å
331F95Very high92.8Very high39 Ų3960.7 Ų60.717%0.17129%0.29CS..Hα-helixtrans-64.2-36.6179.5-178.7-130000113.2F292 A327 K328 Q334 K335F292-F331 HydrophobicContact CB-CD1 4.2Å; F292-F331 HydrophobicContact CB-CD2 4.21Å; F292-F331 HydrophobicContact CB-CE1 3.71Å; F292-F331 HydrophobicContact CB-CE2 3.79Å; F292-F331 HydrophobicContact CB-CG 4.41Å; F292-F331 HydrophobicContact CB-CZ 3.51Å; F292-F331 HydrophobicContact CD1-CD1 4.04Å; F292-F331 AromaticContact CD1-CE1 4Å; F292-F331 HydrophobicContact CD1-CE1 4Å; F292-F331 HydrophobicContact CD2-CB 3.67Å; F292-F331 AromaticContact CD2-CD1 3.62Å; F292-F331 HydrophobicContact CD2-CD1 3.62Å; F292-F331 AromaticContact CD2-CD2 3.72Å; F292-F331 HydrophobicContact CD2-CD2 3.72Å; F292-F331 HydrophobicContact CD2-CE1 4.04Å; F292-F331 HydrophobicContact CD2-CE2 4.2Å; F292-F331 AromaticContact CD2-CG 3.41Å; F292-F331 HydrophobicContact CD2-CG 3.41Å; F292-F331 VanDerWaalsContact CD2-CG 3.41Å; F292-F331 HydrophobicContact CD2-CZ 4.34Å; F292-F331 HydrophobicContact CE1-CD1 4.32Å; F292-F331 HydrophobicContact CE2-CB 3.48Å; F292-F331 VanDerWaalsContact CE2-CB 3.48Å; F292-F331 AromaticContact CE2-CD1 3.92Å; F292-F331 HydrophobicContact CE2-CD1 3.92Å; F292-F331 HydrophobicContact CE2-CD2 4.43Å; F292-F331 AromaticContact CE2-CG 3.74Å; F292-F331 HydrophobicContact CE2-CG 3.74Å; F292-F331 AromaticContact CG-CD1 3.68Å; F292-F331 HydrophobicContact CG-CD1 3.68Å; F292-F331 HydrophobicContact CG-CD2 4.17Å; F292-F331 AromaticContact CG-CE1 3.65Å; F292-F331 HydrophobicContact CG-CE1 3.65Å; F292-F331 HydrophobicContact CG-CE2 4.22Å; F292-F331 AromaticContact CG-CG 3.92Å; F292-F331 HydrophobicContact CG-CG 3.92Å; F292-F331 AromaticContact CG-CZ 3.95Å; F292-F331 HydrophobicContact CG-CZ 3.95Å; F292-F331 HydrophobicContact CZ-CB 4.28Å; F292-F331 HydrophobicContact CZ-CD1 4.25Å; F292-F331 HydrophobicContact CZ-CG 4.49Å; A327-F331 VanDerWaalsContact O-CB 3.3Å; A327-F331 WeakPolarHBondContact O-CB 3.45Å; A327-F331 PolarHBondContact O-N 3.5Å; K328-F331 PolarHBondContact O-N 2.86Å; F331-Q334 WeakPolarHBondContact O-CB 3.32Å; F331-Q334 PolarHBondContact O-N 3.36Å; F331-K335 VanDerWaalsContact CD1-CE 3.49Å; F331-K335 HydrophobicContact CD2-CG 4.4Å; F331-K335 HydrophobicContact CE1-CD 4.3Å; F331-K335 HydrophobicContact CE2-CG 4.14Å; F331-K335 HydrophobicContact CZ-CD 4.3Å; F331-K335 HydrophobicContact CZ-CG 4.31Å; F331-K335 WeakPolarHBondContact O-CG 3.3Å; F331-K335 PolarHBondContact O-N 3.16Å
332D93Very high92.6Very high60 Ų6058.4 Ų58.432%0.32128%0.276SS..Hα-helixtrans-66.7-38.8178.5-72.3-24.5000111.7K328 T329 L330 K335K328-D332 WeakPolarHBondContact CE-OD2 3.3Å; K328-D332 VanDerWaalsContact NZ-CG 3.25Å; K328-D332 IonicContact NZ-OD1 3.6Å; K328-D332 PolarHBondContact NZ-OD1 3.29Å; K328-D332 IonicContact NZ-OD2 2.81Å; K328-D332 PolarHBondContact NZ-OD2 3.24Å; K328-D332 PolarHBondContact O-N 3.39Å; T329-D332 PolarHBondContact O-N 2.84Å; L330-D332 VanDerWaalsContact C-N 3.34Å; L330-D332 PolarHBondContact O-N 2.65Å; D332-K335 IonicContact OD1-NZ 3.43Å
333I91.2Very high92.3Very high27 Ų2757.4 Ų57.414%0.13827%0.271CS..Hα-helixtrans-67.1-41.8171.1-58168.1000110.7L114 V117 I149 T329 L330 K335 E336L114-I333 HydrophobicContact CD1-CG2 4.08Å; V117-I333 HydrophobicContact CG2-CG2 4.44Å; I149-I333 HydrophobicContact CD1-CB 3.95Å; I149-I333 HydrophobicContact CD1-CD1 4.07Å; I149-I333 HydrophobicContact CD1-CG2 3.62Å; T329-I333 PolarHBondContact O-N 2.92Å; L330-I333 PolarHBondContact O-N 3.4Å; I333-K335 VanDerWaalsContact C-N 3.28Å; I333-K335 PolarHBondContact O-N 3.05Å; I333-E336 PolarHBondContact O-N 3.18Å
334Q92.4Very high91.9Very high11 Ų1160.9 Ų60.95%0.05129%0.288CS..Hα-helixtrans-60.3-35.6-178-170.1-170.5-67.300112.8Y152 E293 L330 F331 E336 L337Y152-Q334 HydrophobicContact CD1-CG 3.44Å; Y152-Q334 VanDerWaalsContact CD1-CG 3.44Å; Y152-Q334 HydrophobicContact CD2-CG 4.33Å; Y152-Q334 HydrophobicContact CE1-CG 3.34Å; Y152-Q334 VanDerWaalsContact CE2-CD 3.49Å; Y152-Q334 HydrophobicContact CE2-CG 4.25Å; Y152-Q334 HydrophobicContact CG-CG 3.94Å; Y152-Q334 VanDerWaalsContact CZ-CD 3.5Å; Y152-Q334 PolarHBondContact OH-NE2 2.84Å; E293-Q334 PolarHBondContact O-NE2 3.1Å; E293-Q334 PolarHBondContact O-OE1 2.74Å; L330-Q334 WeakPolarHBondContact O-CB 3.17Å; L330-Q334 PolarHBondContact O-N 3.11Å; F331-Q334 WeakPolarHBondContact O-CB 3.32Å; F331-Q334 PolarHBondContact O-N 3.36Å; Q334-E336 PolarHBondContact O-N 2.93Å; Q334-L337 WeakPolarHBondContact O-CB 3.45Å; Q334-L337 WeakPolarHBondContact O-CG 3.24Å; Q334-L337 PolarHBondContact O-N 3.33Å
335K91.8Very high91.5Very high117 Ų11760.6 Ų60.651%0.50929%0.287SS..Hα-helixtrans-65.8-26.2178.9-77.7174.8-177.6170.20114.2F331 D332 I333 L337F331-K335 VanDerWaalsContact CD1-CE 3.49Å; F331-K335 HydrophobicContact CD2-CG 4.4Å; F331-K335 HydrophobicContact CE1-CD 4.3Å; F331-K335 HydrophobicContact CE2-CG 4.14Å; F331-K335 HydrophobicContact CZ-CD 4.3Å; F331-K335 HydrophobicContact CZ-CG 4.31Å; F331-K335 WeakPolarHBondContact O-CG 3.3Å; F331-K335 PolarHBondContact O-N 3.16Å; D332-K335 IonicContact OD1-NZ 3.43Å; I333-K335 VanDerWaalsContact C-N 3.28Å; I333-K335 PolarHBondContact O-N 3.05Å; K335-L337 PolarHBondContact O-N 3.11Å
336E89.5Confident91.1Very high102 Ų10254.4 Ų54.448%0.47726%0.261SS..THydrogen-bonded Turntrans-80.1-3.6179.1-62.4177.4-176.800111.5L114 H118 I333 Q334L114-E336 HydrophobicContact CD1-CB 3.92Å; L114-E336 VanDerWaalsContact CD1-OE2 3.24Å; L114-E336 WeakPolarHBondContact CD1-OE2 3.3Å; L114-E336 WeakPolarHBondContact CD2-OE2 3.12Å; H118-E336 PolarHBondContact CE1-O 3.28Å; I333-E336 PolarHBondContact O-N 3.18Å; Q334-E336 PolarHBondContact O-N 2.93Å
337L87.8Confident90.7Very high16 Ų1658.5 Ų58.58%0.08428%0.281CS..  trans-88.2123.1178.6-50.6-179000111.2V117 V121 I149 V153 Q334 K335 I339V117-L337 HydrophobicContact CB-CD2 4.5Å; V117-L337 HydrophobicContact CG1-CD1 3.93Å; V117-L337 HydrophobicContact CG1-CD2 3.47Å; V117-L337 VanDerWaalsContact CG1-CD2 3.47Å; V117-L337 HydrophobicContact CG1-CG 4.34Å; V121-L337 HydrophobicContact CG2-CD1 4.43Å; V121-L337 HydrophobicContact CG2-CD2 4.39Å; I149-L337 HydrophobicContact CG2-CD1 3.57Å; V153-L337 HydrophobicContact CG2-CD1 4Å; Q334-L337 WeakPolarHBondContact O-CB 3.45Å; Q334-L337 WeakPolarHBondContact O-CG 3.24Å; Q334-L337 PolarHBondContact O-N 3.33Å; K335-L337 PolarHBondContact O-N 3.11Å; L337-I339 HydrophobicContact CB-CD1 3.96Å; L337-I339 HydrophobicContact CB-CG1 3.8Å; L337-I339 HydrophobicContact CD1-CD1 4.09Å; L337-I339 PolarHBondContact O-N 3.12Å
338H79Confident90.1Very high156 Ų15663.4 Ų63.472%0.72231%0.305SS*.  trans-84.480.9171-58.7-61.9000110.3R125R125-H338 PolarHBondContact NH1-O 3.47Å; R125-H338 PolarHBondContact NH2-O 3.32Å
339I78.3Confident89.5Confident87 Ų8761.3 Ų61.345%0.44630%0.298SS..  trans-105.10179.4-49179.9000110.7Y152 V153 K156 L157 L337Y152-I339 HydrophobicContact CD1-CD1 4.03Å; Y152-I339 HydrophobicContact CE1-CD1 3.8Å; V153-I339 HydrophobicContact CB-CD1 4.03Å; V153-I339 HydrophobicContact CG1-CD1 4.21Å; V153-I339 HydrophobicContact CG2-CD1 3.48Å; V153-I339 VanDerWaalsContact CG2-CD1 3.48Å; K156-I339 HydrophobicContact CB-CG2 3.63Å; K156-I339 HydrophobicContact CG-CG2 4.41Å; L157-I339 HydrophobicContact CD2-CG2 4.04Å; L157-I339 HydrophobicContact CG-CG2 4.29Å; L337-I339 HydrophobicContact CB-CD1 3.96Å; L337-I339 HydrophobicContact CB-CG1 3.8Å; L337-I339 HydrophobicContact CD1-CD1 4.09Å; L337-I339 PolarHBondContact O-N 3.12Å

Retrieved 339 of 339 residues in 231.1 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).