G4LW63_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession G4LW63, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 632 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.5Very low41.9Very low245 Ų245138 Ų138100%1.20785%0.846SS**  0137.40-75165.1172.200106.9
2T44.8Very low42Very low126 Ų126139.9 Ų139.977%0.77385%0.846SS**  trans-92.2117.5-169.744.70000111.4
3D41Very low41.8Very low162 Ų162138.7 Ų138.787%0.86685%0.845SS**  trans-74.3136.7160.8-80.4-46.9000109.9
4F48Very low42.4Very low195 Ų195141.6 Ų141.686%0.85585%0.845SS**  trans-103.8105.7-179.1-125.6-88.2000110
5T45.3Very low43.3Very low134 Ų134140.3 Ų140.382%0.82284%0.839SS**PPolyproline II helixtrans-74.8124.2176.4-34.50000110.3G7T5-G7 PolarHBondContact O-N 3.38Å
6V43.3Very low45.2Very low140 Ų140139.1 Ų139.185%0.84884%0.835SS**PPolyproline II helixtrans-73.8119.2175.6177.90000109.9
7G38.9Very low47.3Very low64 Ų64135.2 Ų135.266%0.6681%0.808SS**PPolyproline II helixtrans-78.5136.6174.900000112.4T5T5-G7 PolarHBondContact O-N 3.38Å
8S38.5Very low49.4Very low127 Ų127137.1 Ų137.189%0.88881%0.807SS**PPolyproline II helixtrans-82123.9177-168.70000111.1
9T41.5Very low51.6Low136 Ų136131.6 Ų131.683%0.83477%0.771SS**PPolyproline II helixtrans-86.8117.4175.450.10000110.9
10G38.1Very low53.7Low70 Ų70126.2 Ų126.272%0.72274%0.74SS**PPolyproline II helixtrans-69.2148.4177.800000113.7L12G10-L12 PolarHBondContact O-N 3.39Å
11S37.8Very low55.5Low119 Ų119125.5 Ų125.583%0.83273%0.731SS**PPolyproline II helixtrans-70.3117.9175-1750000111
12L43Very low57.8Low161 Ų161117.3 Ų117.384%0.84370%0.695SS**PPolyproline II helixtrans-79.4120169.1-79.6160.3000109.5G10 E14G10-L12 PolarHBondContact O-N 3.39Å; L12-E14 PolarHBondContact O-N 3.25Å
13C39.9Very low60.1Low124 Ų124114.9 Ų114.984%0.83867%0.674SS**  trans-71.7110169.6-69.20000109.7T15C13-T15 PolarHBondContact O-N 3.38Å
14E50Low62.5Low180 Ų180111.9 Ų111.984%0.84167%0.671SS**PPolyproline II helixtrans-63.3126.9172.4-65.8-171.5154.100110.8L12L12-E14 PolarHBondContact O-N 3.25Å
15T56.6Low64.7Low122 Ų122104.9 Ų104.975%0.74865%0.647SS**PPolyproline II helixtrans-64.9139.317442.50000111C13 I17C13-T15 PolarHBondContact O-N 3.38Å; T15-I17 PolarHBondContact O-N 3.31Å; T15-I17 VanDerWaalsContact O-N 3.15Å
16P73.1Confident67.2Low120 Ų12099 Ų9978%0.77961%0.61SS**PPolyproline II helixtrans-55.8120.8179-25.434.1000112.1Q18P16-Q18 PolarHBondContact O-N 3.19Å
17I80.7Confident69.7Low74 Ų7497.9 Ų97.938%0.37960%0.595SS.*PPolyproline II helixtrans-64.6118.7-179.6-61.5173.7000109.3T15 N48 K50T15-I17 PolarHBondContact O-N 3.31Å; T15-I17 VanDerWaalsContact O-N 3.15Å; I17-N48 HydrophobicContact CG2-CB 3.97Å; I17-K50 HydrophobicContact CD1-CD 4.14Å
18Q85.8Confident72.4Confident168 Ų16898.5 Ų98.579%0.78558%0.58SS**PPolyproline II helixtrans-83.9140.3173.4-62.2-171.5400110.3P16 N48P16-Q18 PolarHBondContact O-N 3.19Å; Q18-N48 PolarHBondContact O-ND2 3.28Å
19W91.5Very high75Confident33 Ų3394.4 Ų94.413%0.12556%0.558CS.*  trans-113.9120.9177.1-70.892.6000108.3Y26 C45 K50 C52 Y90 A91 I102W19-Y26 HydrophobicContact CE3-CE1 4.15Å; W19-Y26 HydrophobicContact CZ3-CE1 4.46Å; W19-C45 HydrophobicContact CE3-CB 4.31Å; W19-C45 HydrophobicContact CZ3-CB 3.92Å; W19-K50 HydrophobicContact CH2-CB 3.99Å; W19-C52 HydrophobicContact CH2-CB 4Å; W19-C52 HydrophobicContact CZ3-CB 3.82Å; W19-Y90 HydrophobicContact CD2-CD2 4.24Å; W19-Y90 HydrophobicContact CD2-CG 4.15Å; W19-Y90 AromaticContact CE2-CD2 3.63Å; W19-Y90 AromaticContact CE2-CG 3.52Å; W19-Y90 AromaticContact CH2-CD2 3.72Å; W19-Y90 HydrophobicContact CH2-CD2 3.72Å; W19-Y90 AromaticContact CH2-CE2 3.79Å; W19-Y90 HydrophobicContact CH2-CE2 3.79Å; W19-Y90 HydrophobicContact CH2-CG 4.47Å; W19-Y90 HydrophobicContact CZ2-CD1 4.16Å; W19-Y90 AromaticContact CZ2-CD2 3.34Å; W19-Y90 HydrophobicContact CZ2-CD2 3.34Å; W19-Y90 HydrophobicContact CZ2-CE1 4.26Å; W19-Y90 AromaticContact CZ2-CE2 3.43Å; W19-Y90 HydrophobicContact CZ2-CE2 3.43Å; W19-Y90 VanDerWaalsContact CZ2-CE2 3.43Å; W19-Y90 AromaticContact CZ2-CG 3.71Å; W19-Y90 HydrophobicContact CZ2-CG 3.71Å; W19-Y90 AromaticContact CZ2-CZ 3.89Å; W19-Y90 HydrophobicContact CZ3-CD2 4.32Å; W19-Y90 AromaticContact NE1-CD1 3.69Å; W19-Y90 AromaticContact NE1-CG 3.57Å; W19-A91 HydrophobicContact CB-CB 3.97Å; W19-I102 HydrophobicContact CD2-CG2 4.46Å; W19-I102 HydrophobicContact CE3-CG2 3.81Å; W19-I102 HydrophobicContact CZ3-CG2 4.08Å
20P92.9Very high77.4Confident24 Ų2493.1 Ų93.116%0.15654%0.541CS..  trans-57.5147.9-180-27.235.3000113.7Y26 C45 S47P20-Y26 HydrophobicContact CB-CE2 3.99Å; P20-Y26 WeakPolarHBondContact CD-OH 3.31Å; P20-Y26 WeakPolarHBondContact O-CE2 3.29Å; P20-Y26 PolarHBondContact O-OH 3.18Å; P20-C45 WeakPolarHBondContact CD-SG 3.32Å; P20-S47 VanDerWaalsContact CG-OG 3.27Å; P20-S47 WeakPolarHBondContact CG-OG 3.4Å
21M91.9Very high79.9Confident111 Ų11191.2 Ų91.255%0.54752%0.517SS..SBendtrans-104.322.2-175.2-59.3-67.1-73.300113A91 S92 F93M21-A91 HydrophobicContact SD-CB 3.97Å; M21-S92 WeakPolarHBondContact CE-O 3.37Å; M21-F93 HydrophobicContact CB-CB 4.48Å; M21-F93 HydrophobicContact CE-CB 4.31Å; M21-F93 WeakPolarHBondContact O-CB 3.28Å; M21-F93 VanDerWaalsContact O-CG 3.3Å; M21-F93 WeakPolarHBondContact O-CG 3.43Å
22T92.2Very high82.3Confident74 Ų7487.1 Ų87.145%0.45449%0.485SS..SBendtrans-137.9140.8-176.353.80000110.9A24 S25 Y26T22-A24 VanDerWaalsContact C-N 3.27Å; T22-A24 PolarHBondContact O-N 3.15Å; T22-S25 PolarHBondContact O-N 3.19Å; T22-S25 PolarHBondContact OG1-OG 2.88Å; T22-S25 VanDerWaalsContact OG1-OG 3.08Å; T22-Y26 WeakPolarHBondContact O-CD2 3.38Å
23K91.4Very high84.1Confident74 Ų7480.9 Ų80.932%0.32246%0.46SS..G310 helixtrans-60.5-34.6-177.6-163.4173.1-176.9177.80112.8S25 Y26 F28 F93 A95 E98K23-S25 PolarHBondContact O-N 2.95Å; K23-Y26 PolarHBondContact O-N 3.31Å; K23-F28 HydrophobicContact CG-CE2 3.7Å; K23-F28 HydrophobicContact CG-CZ 3.83Å; K23-F93 HydrophobicContact CB-CE2 4.08Å; K23-A95 HydrophobicContact CB-CB 4.48Å; K23-E98 IonicContact NZ-OE1 2.69Å; K23-E98 IonicContact NZ-OE2 3.68Å; K23-E98 PolarHBondContact NZ-OE2 3.2Å
24A93Very high85.9Confident99 Ų9980.2 Ų80.282%0.81844%0.444SS*.G310 helixtrans-70.7-11.6-179.600000114.8T22 Y26T22-A24 VanDerWaalsContact C-N 3.27Å; T22-A24 PolarHBondContact O-N 3.15Å; A24-Y26 VanDerWaalsContact C-N 3.29Å
25S94.6Very high86.9Confident49 Ų4973.7 Ų73.734%0.34343%0.425SS..G310 helixtrans-91.214.7176.4-64.60000113.7T22 K23 P46T22-S25 PolarHBondContact O-N 3.19Å; T22-S25 PolarHBondContact OG1-OG 2.88Å; T22-S25 VanDerWaalsContact OG1-OG 3.08Å; K23-S25 PolarHBondContact O-N 2.95Å; S25-P46 VanDerWaalsContact O-CD 3.29Å; S25-P46 WeakPolarHBondContact O-CD 3.22Å
26Y95.8Very high87.3Confident11 Ų1170.4 Ų70.44%0.04341%0.41CS..SBendtrans-131.1133.8177.1-62.8-89.8000110.2W19 P20 T22 K23 A24 L44 C45 I54 F93 I102W19-Y26 HydrophobicContact CE3-CE1 4.15Å; W19-Y26 HydrophobicContact CZ3-CE1 4.46Å; P20-Y26 HydrophobicContact CB-CE2 3.99Å; P20-Y26 WeakPolarHBondContact CD-OH 3.31Å; P20-Y26 WeakPolarHBondContact O-CE2 3.29Å; P20-Y26 PolarHBondContact O-OH 3.18Å; T22-Y26 WeakPolarHBondContact O-CD2 3.38Å; K23-Y26 PolarHBondContact O-N 3.31Å; A24-Y26 VanDerWaalsContact C-N 3.29Å; Y26-L44 WeakPolarHBondContact CA-O 3.44Å; Y26-C45 HydrophobicContact CD1-CB 3.87Å; Y26-C45 HydrophobicContact CE1-CB 3.79Å; Y26-I54 HydrophobicContact CD1-CD1 3.82Å; Y26-I54 HydrophobicContact CD2-CD1 4.26Å; Y26-I54 HydrophobicContact CE1-CD1 4.47Å; Y26-I54 HydrophobicContact CG-CD1 3.69Å; Y26-F93 HydrophobicContact CD2-CE1 4.49Å; Y26-F93 HydrophobicContact CD2-CZ 4.33Å; Y26-F93 AromaticContact CE2-CE1 3.77Å; Y26-F93 HydrophobicContact CE2-CE1 3.77Å; Y26-F93 HydrophobicContact CE2-CZ 4.05Å; Y26-I102 HydrophobicContact CE1-CD1 4.26Å; Y26-I102 HydrophobicContact CE1-CG2 4.13Å; Y26-I102 HydrophobicContact CE2-CD1 4.15Å
27E96.5Very high87.1Confident115 Ų11567.2 Ų67.254%0.53739%0.388SS..EExtended strand (participates in β ladder)trans-87.5109.2171.4-71.4172.1-158.800108.4A43 L44 P46E27-A43 CarbonylContact O-C 3.54Å; E27-A43 VanDerWaalsContact O-CA 3.22Å; E27-A43 WeakPolarHBondContact O-CA 3.39Å; E27-L44 HydrophobicContact CB-CB 4.27Å; E27-L44 PolarHBondContact N-O 3.37Å; E27-L44 PolarHBondContact O-N 2.89Å; E27-P46 HydrophobicContact CG-CG 3.85Å; E27-P46 VanDerWaalsContact OE1-CG 3.31Å; E27-P46 WeakPolarHBondContact OE1-CG 3.33Å
28F95.1Very high87.2Confident77 Ų7764.5 Ų64.534%0.33838%0.376SS..EExtended strand (participates in β ladder)trans-76.4127.8-179.3-77.2-98000111.3K23 F41 I54 I56K23-F28 HydrophobicContact CG-CE2 3.7Å; K23-F28 HydrophobicContact CG-CZ 3.83Å; F28-F41 HydrophobicContact CD1-CB 3.76Å; F28-F41 HydrophobicContact CD1-CD1 4.39Å; F28-F41 HydrophobicContact CD1-CD2 4.3Å; F28-F41 AromaticContact CD1-CG 3.91Å; F28-F41 HydrophobicContact CD1-CG 3.91Å; F28-F41 HydrophobicContact CE1-CB 4.21Å; F28-F41 HydrophobicContact CE1-CD2 4.37Å; F28-F41 HydrophobicContact CE1-CG 4.37Å; F28-I54 HydrophobicContact CE1-CB 4.11Å; F28-I54 HydrophobicContact CE1-CD1 3.91Å; F28-I54 HydrophobicContact CE1-CG2 4.06Å; F28-I54 HydrophobicContact CE2-CD1 4.33Å; F28-I54 HydrophobicContact CZ-CD1 3.7Å; F28-I54 HydrophobicContact CZ-CG2 4.19Å; F28-I56 HydrophobicContact CE1-CD1 3.91Å; F28-I56 HydrophobicContact CZ-CD1 4.36Å
29G93Very high87.4Confident42 Ų4258.2 Ų58.243%0.43335%0.349SS..EExtended strand (participates in β ladder)trans-97.1-146.9170.500000112.1E42G29-E42 WeakPolarHBondContact CA-O 3.27Å; G29-E42 PolarHBondContact N-O 3.35Å
30K92.4Very high87.4Confident108 Ų10858 Ų5847%0.4735%0.352SS..EExtended strand (participates in β ladder)trans-67.6149.8-178.670.2-168.3-178-161.90112.3I32 F41 E42K30-I32 HydrophobicContact CD-CG2 4.33Å; K30-I32 HydrophobicContact CG-CG2 3.8Å; K30-F41 WeakPolarHBondContact O-CA 3.26Å; K30-E42 WeakPolarHBondContact CE-OE2 3.41Å; K30-E42 HydrophobicContact CG-CB 4.33Å; K30-E42 IonicContact NZ-OE2 2.97Å; K30-E42 PolarHBondContact O-N 3.08Å
31S91Very high87.4Confident31 Ų3159.5 Ų59.522%0.21736%0.356CS..EExtended strand (participates in β ladder)trans-66.5131.4161.5-178.60000109.2T39S31-T39 WeakPolarHBondContact OG-CG2 3.43Å
32I88.4Confident87.6Confident33 Ų3355.7 Ų55.717%0.16934%0.337CS..EExtended strand (participates in β ladder)trans-116.2-5.5-179.160.1174.6000112.9K30 V40 E42 A53 L105 P327K30-I32 HydrophobicContact CD-CG2 4.33Å; K30-I32 HydrophobicContact CG-CG2 3.8Å; I32-V40 HydrophobicContact CD1-CG1 3.88Å; I32-V40 HydrophobicContact CG1-CB 4.03Å; I32-V40 HydrophobicContact CG1-CG1 3.75Å; I32-V40 WeakPolarHBondContact CG1-O 3.22Å; I32-V40 PolarHBondContact N-O 2.9Å; I32-E42 HydrophobicContact CG2-CB 4.14Å; I32-A53 HydrophobicContact CD1-CB 4.21Å; I32-L105 HydrophobicContact CD1-CD1 3.62Å; I32-P327 HydrophobicContact CB-CG 4.47Å; I32-P327 WeakPolarHBondContact O-CB 3.34Å
33G79.6Confident87.8Confident30 Ų3052.3 Ų52.331%0.30932%0.316SS..EExtended strand (participates in β ladder)trans-170.5145.317600000111.6T39 V40G33-T39 CarbonylContact O-C 3.55Å; G33-T39 WeakPolarHBondContact O-CA 3.13Å; G33-V40 PolarHBondContact N-O 2.69Å; G33-V40 PolarHBondContact O-N 3.49Å
34Q79.2Confident88Confident110 Ų11051.5 Ų51.551%0.51432%0.315SS..EExtended strand (participates in β ladder)trans-142.5128177.7-171172-1.400109.6
35G70Confident88.2Confident42 Ų4246.8 Ų46.843%0.43328%0.276SS..  trans-120.6-177.3170.200000110.8T37 S38G35-T37 PolarHBondContact O-N 3.08Å; G35-S38 PolarHBondContact N-O 3.25Å
36A64.5Low88.1Confident53 Ų5347.6 Ų47.644%0.43828%0.28SS..SBendtrans-58.7-42.7-174.300000113.7F353A36-F353 HydrophobicContact CB-CB 4.42Å
37T69.9Low88Confident53 Ų5351.2 Ų51.233%0.32531%0.307SS..SBendtrans-110.6-4.3-175.857.60000114.3G35 N58 K61G35-T37 PolarHBondContact O-N 3.08Å; T37-N58 PolarHBondContact O-N 3.35Å; T37-K61 HydrophobicContact CG2-CB 4.29Å
38S82.9Confident87.8Confident18 Ų1847.7 Ų47.713%0.12629%0.292CS..EExtended strand (participates in β ladder)trans-146.8151.7-173.665.10000114.5G35 K55 I56G35-S38 PolarHBondContact N-O 3.25Å; S38-K55 WeakPolarHBondContact OG-CE 3.36Å; S38-I56 CarbonylContact C-O 3.53Å; S38-I56 WeakPolarHBondContact CA-O 3.45Å; S38-I56 VanDerWaalsContact CB-O 3.22Å; S38-I56 WeakPolarHBondContact CB-O 3.5Å
39T88.8Confident87.7Confident35 Ų3546.7 Ų46.722%0.21530%0.304CS..EExtended strand (participates in β ladder)trans-128.6140174.5-51.80000109.4S31 G33 F41 I56S31-T39 WeakPolarHBondContact OG-CG2 3.43Å; G33-T39 CarbonylContact O-C 3.55Å; G33-T39 WeakPolarHBondContact O-CA 3.13Å; T39-F41 HydrophobicContact CG2-CD2 4.14Å; T39-F41 HydrophobicContact CG2-CE1 4.47Å; T39-F41 HydrophobicContact CG2-CE2 3.46Å; T39-F41 VanDerWaalsContact CG2-CE2 3.46Å; T39-F41 HydrophobicContact CG2-CZ 3.66Å; T39-I56 PolarHBondContact N-O 3.47Å; T39-I56 PolarHBondContact O-N 2.7Å
40V91.9Very high87.7Confident30 Ų3049.2 Ų49.218%0.18230%0.303CS..EExtended strand (participates in β ladder)trans-111.6127179.7-168.50000108.9I32 G33 A53 I54 K55I32-V40 HydrophobicContact CD1-CG1 3.88Å; I32-V40 HydrophobicContact CG1-CB 4.03Å; I32-V40 HydrophobicContact CG1-CG1 3.75Å; I32-V40 WeakPolarHBondContact CG1-O 3.22Å; I32-V40 PolarHBondContact N-O 2.9Å; G33-V40 PolarHBondContact N-O 2.69Å; G33-V40 PolarHBondContact O-N 3.49Å; V40-A53 HydrophobicContact CG1-CB 4.12Å; V40-I54 WeakPolarHBondContact CA-O 3.31Å; V40-K55 HydrophobicContact CG2-CB 4.2Å; V40-K55 HydrophobicContact CG2-CD 4.41Å; V40-K55 HydrophobicContact CG2-CG 3.99Å
41F94.3Very high87.8Confident54 Ų5450.1 Ų50.124%0.23731%0.307CS..EExtended strand (participates in β ladder)trans-113.3144177-65.8-93.5000111F28 K30 T39 A53 I54 I56F28-F41 HydrophobicContact CD1-CB 3.76Å; F28-F41 HydrophobicContact CD1-CD1 4.39Å; F28-F41 HydrophobicContact CD1-CD2 4.3Å; F28-F41 AromaticContact CD1-CG 3.91Å; F28-F41 HydrophobicContact CD1-CG 3.91Å; F28-F41 HydrophobicContact CE1-CB 4.21Å; F28-F41 HydrophobicContact CE1-CD2 4.37Å; F28-F41 HydrophobicContact CE1-CG 4.37Å; K30-F41 WeakPolarHBondContact O-CA 3.26Å; T39-F41 HydrophobicContact CG2-CD2 4.14Å; T39-F41 HydrophobicContact CG2-CE1 4.47Å; T39-F41 HydrophobicContact CG2-CE2 3.46Å; T39-F41 VanDerWaalsContact CG2-CE2 3.46Å; T39-F41 HydrophobicContact CG2-CZ 3.66Å; F41-A53 CarbonylContact O-C 3.58Å; F41-A53 WeakPolarHBondContact O-CA 3.17Å; F41-I54 PolarHBondContact N-O 3.24Å; F41-I54 PolarHBondContact O-N 2.82Å; F41-I56 HydrophobicContact CD2-CD1 3.93Å; F41-I56 HydrophobicContact CD2-CG1 4.32Å; F41-I56 HydrophobicContact CE2-CD1 3.92Å
42E94.8Very high88Confident32 Ų3248.7 Ų48.715%0.1530%0.296CS..EExtended strand (participates in β ladder)trans-66.3138.3155.4178.2174.8177.200108G29 K30 I32 K51 L105G29-E42 WeakPolarHBondContact CA-O 3.27Å; G29-E42 PolarHBondContact N-O 3.35Å; K30-E42 WeakPolarHBondContact CE-OE2 3.41Å; K30-E42 HydrophobicContact CG-CB 4.33Å; K30-E42 IonicContact NZ-OE2 2.97Å; K30-E42 PolarHBondContact O-N 3.08Å; I32-E42 HydrophobicContact CG2-CB 4.14Å; E42-K51 IonicContact OE1-NZ 2.7Å; E42-K51 PolarHBondContact OE1-NZ 3.37Å; E42-L105 HydrophobicContact CB-CD1 4.44Å; E42-L105 HydrophobicContact CG-CD1 4.46Å; E42-L105 HydrophobicContact CG-CD2 3.9Å
43A96.4Very high88.3Confident2 Ų247.3 Ų47.32%0.01729%0.29CS..EExtended strand (participates in β ladder)trans-142.8154.717300000111.6E27 K51 C52 I54E27-A43 CarbonylContact O-C 3.54Å; E27-A43 VanDerWaalsContact O-CA 3.22Å; E27-A43 WeakPolarHBondContact O-CA 3.39Å; A43-K51 CarbonylContact O-C 3.56Å; A43-K51 VanDerWaalsContact O-CA 3.31Å; A43-K51 WeakPolarHBondContact O-CA 3.42Å; A43-C52 PolarHBondContact N-O 3.06Å; A43-C52 PolarHBondContact O-N 2.86Å; A43-I54 HydrophobicContact CB-CD1 3.49Å; A43-I54 VanDerWaalsContact CB-CD1 3.49Å; A43-I54 HydrophobicContact CB-CG1 3.8Å
44L96.5Very high89Confident57 Ų5745.9 Ų45.930%0.29828%0.275SS..EExtended strand (participates in β ladder)trans-103.5138.2166.4179.767.4000108.7Y26 E27 P46 K51Y26-L44 WeakPolarHBondContact CA-O 3.44Å; E27-L44 HydrophobicContact CB-CB 4.27Å; E27-L44 PolarHBondContact N-O 3.37Å; E27-L44 PolarHBondContact O-N 2.89Å; L44-P46 WeakPolarHBondContact O-CD 3.3Å; L44-K51 HydrophobicContact CD1-CG 4.16Å
45C96.3Very high89.5Confident0 Ų041.4 Ų41.40%025%0.254CS..EExtended strand (participates in β ladder)trans-101.399.9172-174.60000109.2W19 P20 Y26 S47 N48 G49 K50W19-C45 HydrophobicContact CE3-CB 4.31Å; W19-C45 HydrophobicContact CZ3-CB 3.92Å; P20-C45 WeakPolarHBondContact CD-SG 3.32Å; Y26-C45 HydrophobicContact CD1-CB 3.87Å; Y26-C45 HydrophobicContact CE1-CB 3.79Å; C45-S47 PolarHBondContact O-N 2.9Å; C45-S47 PolarHBondContact SG-OG 2.87Å; C45-S47 VanDerWaalsContact SG-OG 3.37Å; C45-N48 WeakPolarHBondContact CB-OD1 3.44Å; C45-N48 PolarHBondContact O-N 3.4Å; C45-N48 PolarHBondContact O-OD1 2.68Å; C45-N48 PolarHBondContact SG-ND2 2.94Å; C45-G49 PolarHBondContact O-N 2.75Å; C45-K50 PolarHBondContact N-O 2.93Å
46P93.5Very high90.5Very high67 Ų6740 Ų4044%0.43524%0.236SC..THydrogen-bonded Turntrans-64.9-27.4-169.8-23.836.8000113.3S25 E27 L44 N48S25-P46 VanDerWaalsContact O-CD 3.29Å; S25-P46 WeakPolarHBondContact O-CD 3.22Å; E27-P46 HydrophobicContact CG-CG 3.85Å; E27-P46 VanDerWaalsContact OE1-CG 3.31Å; E27-P46 WeakPolarHBondContact OE1-CG 3.33Å; L44-P46 WeakPolarHBondContact O-CD 3.3Å; P46-N48 VanDerWaalsContact C-N 3.26Å; P46-N48 PolarHBondContact O-N 3.29Å
47S92.9Very high91.5Very high86 Ų8637.8 Ų37.860%0.60122%0.217SC*.THydrogen-bonded Turntrans-69.2-18.4179.959.70000114.6P20 C45P20-S47 VanDerWaalsContact CG-OG 3.27Å; P20-S47 WeakPolarHBondContact CG-OG 3.4Å; C45-S47 PolarHBondContact O-N 2.9Å; C45-S47 PolarHBondContact SG-OG 2.87Å; C45-S47 VanDerWaalsContact SG-OG 3.37Å
48N92.1Very high92.1Very high41 Ų4136.9 Ų36.922%0.21921%0.21CC..THydrogen-bonded Turntrans-131.40.3177.666.834000113.7I17 Q18 C45 P46 K50I17-N48 HydrophobicContact CG2-CB 3.97Å; Q18-N48 PolarHBondContact O-ND2 3.28Å; C45-N48 WeakPolarHBondContact CB-OD1 3.44Å; C45-N48 PolarHBondContact O-N 3.4Å; C45-N48 PolarHBondContact O-OD1 2.68Å; C45-N48 PolarHBondContact SG-ND2 2.94Å; P46-N48 VanDerWaalsContact C-N 3.26Å; P46-N48 PolarHBondContact O-N 3.29Å; N48-K50 PolarHBondContact O-N 3.18Å; N48-K50 VanDerWaalsContact OD1-CB 3.28Å; N48-K50 WeakPolarHBondContact OD1-CB 3.27Å; N48-K50 PolarHBondContact OD1-N 3.29Å
49G92.7Very high91.8Very high57 Ų5738.1 Ų38.159%0.58822%0.215SC*.THydrogen-bonded Turntrans68.75.2178.900000115.2C45C45-G49 PolarHBondContact O-N 2.75Å
50K93.7Very high91.1Very high95 Ų9543.1 Ų43.141%0.41324%0.236SC..EExtended strand (participates in β ladder)trans-92.2139.1-175.9-61.7-163.5168.1-168.30112I17 W19 C45 N48I17-K50 HydrophobicContact CD1-CD 4.14Å; W19-K50 HydrophobicContact CH2-CB 3.99Å; C45-K50 PolarHBondContact N-O 2.93Å; N48-K50 PolarHBondContact O-N 3.18Å; N48-K50 VanDerWaalsContact OD1-CB 3.28Å; N48-K50 WeakPolarHBondContact OD1-CB 3.27Å; N48-K50 PolarHBondContact OD1-N 3.29Å
51K94.7Very high89.9Confident127 Ų12748.1 Ų48.155%0.55226%0.256SS*.EExtended strand (participates in β ladder)trans-74.9144.7163.9-68.5-169.2169.4-158.50110.3E42 A43 L44 L105E42-K51 IonicContact OE1-NZ 2.7Å; E42-K51 PolarHBondContact OE1-NZ 3.37Å; A43-K51 CarbonylContact O-C 3.56Å; A43-K51 VanDerWaalsContact O-CA 3.31Å; A43-K51 WeakPolarHBondContact O-CA 3.42Å; L44-K51 HydrophobicContact CD1-CG 4.16Å; K51-L105 HydrophobicContact CB-CD2 3.94Å; K51-L105 HydrophobicContact CD-CD2 4.29Å
52C94.9Very high88.2Confident0 Ų046.4 Ų46.40%025%0.25CS..EExtended strand (participates in β ladder)trans-143.9167.9176.356.80000110.5W19 A43 I102 M103W19-C52 HydrophobicContact CH2-CB 4Å; W19-C52 HydrophobicContact CZ3-CB 3.82Å; A43-C52 PolarHBondContact N-O 3.06Å; A43-C52 PolarHBondContact O-N 2.86Å; C52-I102 HydrophobicContact CB-CG2 4.07Å; C52-M103 WeakPolarHBondContact CB-O 3.27Å
53A94.5Very high86.2Confident4 Ų449.7 Ų49.73%0.03328%0.276CS..EExtended strand (participates in β ladder)trans-98.8141.216300000109.7I32 V40 F41 M103 L105I32-A53 HydrophobicContact CD1-CB 4.21Å; V40-A53 HydrophobicContact CG1-CB 4.12Å; F41-A53 CarbonylContact O-C 3.58Å; F41-A53 WeakPolarHBondContact O-CA 3.17Å; A53-M103 HydrophobicContact CB-CG 3.82Å; A53-M103 PolarHBondContact N-O 2.93Å; A53-M103 PolarHBondContact O-N 3.48Å; A53-L105 HydrophobicContact CB-CD1 4.06Å
54I94.2Very high84.1Confident0 Ų051.6 Ų51.60%029%0.288CS..EExtended strand (participates in β ladder)trans-119.5109.4175-55.8-173.7000108.4Y26 F28 V40 F41 A43 I56 C100 I101 I102Y26-I54 HydrophobicContact CD1-CD1 3.82Å; Y26-I54 HydrophobicContact CD2-CD1 4.26Å; Y26-I54 HydrophobicContact CE1-CD1 4.47Å; Y26-I54 HydrophobicContact CG-CD1 3.69Å; F28-I54 HydrophobicContact CE1-CB 4.11Å; F28-I54 HydrophobicContact CE1-CD1 3.91Å; F28-I54 HydrophobicContact CE1-CG2 4.06Å; F28-I54 HydrophobicContact CE2-CD1 4.33Å; F28-I54 HydrophobicContact CZ-CD1 3.7Å; F28-I54 HydrophobicContact CZ-CG2 4.19Å; V40-I54 WeakPolarHBondContact CA-O 3.31Å; F41-I54 PolarHBondContact N-O 3.24Å; F41-I54 PolarHBondContact O-N 2.82Å; A43-I54 HydrophobicContact CB-CD1 3.49Å; A43-I54 VanDerWaalsContact CB-CD1 3.49Å; A43-I54 HydrophobicContact CB-CG1 3.8Å; I54-I56 HydrophobicContact CG2-CG1 3.97Å; I54-C100 HydrophobicContact CG2-CB 4.3Å; I54-I101 WeakPolarHBondContact CA-O 3.19Å; I54-I102 HydrophobicContact CB-CD1 4.27Å; I54-I102 HydrophobicContact CD1-CD1 3.72Å; I54-I102 HydrophobicContact CG1-CD1 3.62Å; I54-I102 HydrophobicContact CG2-CD1 3.91Å
55K90.9Very high81.8Confident17 Ų1752.1 Ų52.17%0.07430%0.297CS..EExtended strand (participates in β ladder)trans-88.2114.5171.5-173.2172.4-161.8179.50108.8S38 V40 I57 C100 I101 M103 D175S38-K55 WeakPolarHBondContact OG-CE 3.36Å; V40-K55 HydrophobicContact CG2-CB 4.2Å; V40-K55 HydrophobicContact CG2-CD 4.41Å; V40-K55 HydrophobicContact CG2-CG 3.99Å; K55-I57 HydrophobicContact CG-CG1 4.23Å; K55-C100 CarbonylContact O-C 3.58Å; K55-C100 WeakPolarHBondContact O-CA 3.45Å; K55-I101 HydrophobicContact CB-CB 4.44Å; K55-I101 PolarHBondContact N-O 2.97Å; K55-I101 PolarHBondContact O-N 2.88Å; K55-M103 HydrophobicContact CB-CE 3.46Å; K55-M103 VanDerWaalsContact CB-CE 3.46Å; K55-M103 HydrophobicContact CD-CE 4.31Å; K55-D175 IonicContact NZ-OD1 2.66Å; K55-D175 PolarHBondContact NZ-OD1 3.19Å; K55-D175 IonicContact NZ-OD2 2.67Å; K55-D175 PolarHBondContact NZ-OD2 3.11Å
56I90.6Very high79.9Confident12 Ų1252.8 Ų52.86%0.06230%0.302CS..EExtended strand (participates in β ladder)trans-99.7117.2176.9-55.2-173.4000107.5F28 S38 T39 F41 I54 E98 L99F28-I56 HydrophobicContact CE1-CD1 3.91Å; F28-I56 HydrophobicContact CZ-CD1 4.36Å; S38-I56 CarbonylContact C-O 3.53Å; S38-I56 WeakPolarHBondContact CA-O 3.45Å; S38-I56 VanDerWaalsContact CB-O 3.22Å; S38-I56 WeakPolarHBondContact CB-O 3.5Å; T39-I56 PolarHBondContact N-O 3.47Å; T39-I56 PolarHBondContact O-N 2.7Å; F41-I56 HydrophobicContact CD2-CD1 3.93Å; F41-I56 HydrophobicContact CD2-CG1 4.32Å; F41-I56 HydrophobicContact CE2-CD1 3.92Å; I54-I56 HydrophobicContact CG2-CG1 3.97Å; I56-E98 HydrophobicContact CG2-CB 3.76Å; I56-E98 HydrophobicContact CG2-CG 3.81Å; I56-L99 WeakPolarHBondContact CA-O 3.31Å
57I85.1Confident78.5Confident6 Ų651.6 Ų51.63%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-108.1124.1177-51.4178.6000107.9K55 L59 E98 L99 I101 V178K55-I57 HydrophobicContact CG-CG1 4.23Å; I57-L59 PolarHBondContact O-N 3.03Å; I57-E98 CarbonylContact O-C 3.44Å; I57-E98 WeakPolarHBondContact O-CA 3.04Å; I57-L99 HydrophobicContact CB-CB 4.37Å; I57-L99 HydrophobicContact CD1-CD2 4.39Å; I57-L99 PolarHBondContact N-O 3.17Å; I57-L99 PolarHBondContact O-N 3.43Å; I57-I101 HydrophobicContact CD1-CD1 3.9Å; I57-V178 HydrophobicContact CD1-CG1 4.06Å
58N83.1Confident77.4Confident35 Ų3551.1 Ų51.119%0.18729%0.285CS..EExtended strand (participates in β ladder)trans-80.7117.1173.9177.9-67000109.1T37 E60 K61 C62T37-N58 PolarHBondContact O-N 3.35Å; N58-E60 WeakPolarHBondContact OD1-CB 3.38Å; N58-E60 PolarHBondContact OD1-N 3.37Å; N58-K61 HydrophobicContact CB-CB 4.36Å; N58-K61 HydrophobicContact CB-CD 4.24Å; N58-K61 HydrophobicContact CB-CG 4.38Å; N58-K61 WeakPolarHBondContact OD1-CG 3.19Å; N58-K61 PolarHBondContact OD1-N 2.92Å; N58-C62 PolarHBondContact O-N 2.82Å
59L76.3Confident76.3Confident44 Ų4455.3 Ų55.323%0.2330%0.304CS..THydrogen-bonded Turntrans-74.5-25.2-173.2-64.2172.5000113.2I57 L68 I71 V94 T97 L99I57-L59 PolarHBondContact O-N 3.03Å; L59-L68 HydrophobicContact CD1-CD1 3.82Å; L59-I71 HydrophobicContact CD2-CD1 4.39Å; L59-V94 HydrophobicContact CD1-CG1 4.29Å; L59-T97 WeakPolarHBondContact CB-O 3.41Å; L59-T97 PolarHBondContact N-O 2.9Å; L59-L99 HydrophobicContact CD1-CB 4.25Å; L59-L99 HydrophobicContact CD2-CB 3.88Å; L59-L99 HydrophobicContact CD2-CD2 4.46Å; L59-L99 HydrophobicContact CG-CB 4.14Å
60E73.4Confident75Confident140 Ų14055.5 Ų55.565%0.65429%0.289SS*.THydrogen-bonded Turntrans-73.8-35.2177-61.8167.3129.500111.8N58 T97N58-E60 WeakPolarHBondContact OD1-CB 3.38Å; N58-E60 PolarHBondContact OD1-N 3.37Å; E60-T97 HydrophobicContact CG-CG2 4.04Å; E60-T97 PolarHBondContact OE2-OG1 3.3Å
61K66.9Low73.9Confident135 Ų13551.4 Ų51.459%0.58727%0.272SS*.THydrogen-bonded Turntrans-75.2-24.9175.6-69.6-178.1-178.1-174.50112.9T37 N58 S63T37-K61 HydrophobicContact CG2-CB 4.29Å; N58-K61 HydrophobicContact CB-CB 4.36Å; N58-K61 HydrophobicContact CB-CD 4.24Å; N58-K61 HydrophobicContact CB-CG 4.38Å; N58-K61 WeakPolarHBondContact OD1-CG 3.19Å; N58-K61 PolarHBondContact OD1-N 2.92Å; K61-S63 PolarHBondContact O-N 3.07Å; K61-S63 VanDerWaalsContact O-N 3.1Å
62C59.3Low72.8Confident18 Ų1846.9 Ų46.912%0.12225%0.254CS..  trans-76.988.4169.9-77.40000109.4N58 T64N58-C62 PolarHBondContact O-N 2.82Å; C62-T64 PolarHBondContact O-N 3.04Å; C62-T64 PolarHBondContact O-OG1 3.14Å
63S51.4Low71.7Confident100 Ų10054.7 Ų54.770%0.69928%0.283SS*.  trans-65.822.6175.4-45.10000114.8K61K61-S63 PolarHBondContact O-N 3.07Å; K61-S63 VanDerWaalsContact O-N 3.1Å
64T52.7Low70.6Confident43 Ų4356.3 Ų56.326%0.26429%0.29SS..  trans-73.7136.1176.237.50000111.3C62 A66 L182C62-T64 PolarHBondContact O-N 3.04Å; C62-T64 PolarHBondContact O-OG1 3.14Å; T64-A66 PolarHBondContact O-N 3.12Å; T64-A66 VanDerWaalsContact O-N 3.13Å; T64-L182 HydrophobicContact CG2-CB 4.13Å; T64-L182 HydrophobicContact CG2-CD2 3.96Å; T64-L182 WeakPolarHBondContact CG2-O 3.5Å
65S49.2Very low69.7Low68 Ų6856.6 Ų56.648%0.47629%0.291SS..  trans-63.2-6.8163.244.30000114.1S67 Q185S65-S67 PolarHBondContact O-N 3.39Å; S65-Q185 PolarHBondContact OG-OE1 2.75Å
66A55.9Low69Low14 Ų1462.8 Ų62.812%0.11632%0.318CS..  trans-55117.5179.700000111.6T64 E70 I71 F181 L182 Q185T64-A66 PolarHBondContact O-N 3.12Å; T64-A66 VanDerWaalsContact O-N 3.13Å; A66-E70 WeakPolarHBondContact CA-OE2 3.46Å; A66-I71 HydrophobicContact CB-CD1 4.29Å; A66-I71 HydrophobicContact CB-CG1 4.2Å; A66-F181 HydrophobicContact CB-CE1 3.86Å; A66-L182 HydrophobicContact CB-CD2 4.09Å; A66-Q185 VanDerWaalsContact CA-NE2 3.33Å
67S63.4Low68.2Low42 Ų4264.6 Ų64.629%0.29433%0.332SS..  trans-71.3153.2177.399.10000110.4S65 E69 E70 I71S65-S67 PolarHBondContact O-N 3.39Å; S67-E69 WeakPolarHBondContact CB-OE2 3.28Å; S67-E69 PolarHBondContact O-N 2.89Å; S67-E69 PolarHBondContact OG-N 2.77Å; S67-E69 PolarHBondContact OG-OE2 2.85Å; S67-E70 PolarHBondContact N-OE2 2.9Å; S67-E70 VanDerWaalsContact N-OE2 3.11Å; S67-E70 WeakPolarHBondContact O-CB 3.47Å; S67-E70 PolarHBondContact O-N 3.41Å; S67-E70 PolarHBondContact OG-N 2.72Å; S67-I71 PolarHBondContact O-N 2.92Å
68L69.3Low67.8Low75 Ų7564.3 Ų64.339%0.39333%0.331SS..Hα-helixtrans-63.3-26.1178.4-167.9135.4000111.6L59 N72 V94L59-L68 HydrophobicContact CD1-CD1 3.82Å; L68-N72 WeakPolarHBondContact CD2-ND2 3.41Å; L68-N72 WeakPolarHBondContact O-CB 3.35Å; L68-N72 PolarHBondContact O-N 3.29Å; L68-N72 VanDerWaalsContact O-N 3.15Å; L68-N72 PolarHBondContact O-ND2 2.8Å; L68-V94 HydrophobicContact CD1-CG1 4.39Å; L68-V94 HydrophobicContact CD1-CG2 3.87Å; L68-V94 HydrophobicContact CD2-CG2 4.16Å; L68-V94 HydrophobicContact CG-CG2 4.39Å
69E69.1Low67.7Low129 Ų12967.8 Ų67.860%0.60334%0.344SS*.Hα-helixtrans-67.1-37.8170.7-58.477.7-16400112.6S67 R73S67-E69 WeakPolarHBondContact CB-OE2 3.28Å; S67-E69 PolarHBondContact O-N 2.89Å; S67-E69 PolarHBondContact OG-N 2.77Å; S67-E69 PolarHBondContact OG-OE2 2.85Å; E69-R73 VanDerWaalsContact O-CB 3.31Å; E69-R73 WeakPolarHBondContact O-CB 3.44Å; E69-R73 PolarHBondContact O-N 3.07Å
70E67.1Low68Low62 Ų6271.5 Ų71.529%0.2936%0.364SS..Hα-helixtrans-69-46.5179.6-64.4179.8142.700111.5A66 S67 N72 R73 E74 F181 Q185A66-E70 WeakPolarHBondContact CA-OE2 3.46Å; S67-E70 PolarHBondContact N-OE2 2.9Å; S67-E70 VanDerWaalsContact N-OE2 3.11Å; S67-E70 WeakPolarHBondContact O-CB 3.47Å; S67-E70 PolarHBondContact O-N 3.41Å; S67-E70 PolarHBondContact OG-N 2.72Å; E70-N72 VanDerWaalsContact C-N 3.3Å; E70-N72 PolarHBondContact O-N 2.89Å; E70-R73 WeakPolarHBondContact O-CB 3.43Å; E70-R73 PolarHBondContact O-N 3.27Å; E70-E74 PolarHBondContact O-N 2.96Å; E70-F181 HydrophobicContact CB-CE1 3.67Å; E70-F181 HydrophobicContact CB-CZ 3.55Å; E70-F181 HydrophobicContact CG-CZ 4.22Å; E70-Q185 PolarHBondContact OE2-NE2 2.87Å
71I68.8Low68.6Low8 Ų865.5 Ų65.54%0.04134%0.336CS..Hα-helixtrans-61-42.6176.6-56.8168.7000110.1L59 A66 S67 R73 E74 I75 L99 L182L59-I71 HydrophobicContact CD2-CD1 4.39Å; A66-I71 HydrophobicContact CB-CD1 4.29Å; A66-I71 HydrophobicContact CB-CG1 4.2Å; S67-I71 PolarHBondContact O-N 2.92Å; I71-R73 VanDerWaalsContact C-N 3.34Å; I71-R73 PolarHBondContact O-N 3.46Å; I71-E74 PolarHBondContact O-N 3.3Å; I71-I75 HydrophobicContact CG2-CD1 3.9Å; I71-I75 VanDerWaalsContact O-CG1 3.3Å; I71-I75 WeakPolarHBondContact O-CG1 3.37Å; I71-I75 PolarHBondContact O-N 3.4Å; I71-L99 HydrophobicContact CG2-CD2 3.43Å; I71-L99 VanDerWaalsContact CG2-CD2 3.43Å; I71-L182 HydrophobicContact CD1-CD2 3.89Å; I71-L182 HydrophobicContact CG1-CD2 4.11Å
72N72.1Confident69.5Low32 Ų3267.3 Ų67.317%0.17134%0.344CS..Hα-helixtrans-68.1-29.7174.7-82.4-63000113.5L68 E70 K76L68-N72 WeakPolarHBondContact CD2-ND2 3.41Å; L68-N72 WeakPolarHBondContact O-CB 3.35Å; L68-N72 PolarHBondContact O-N 3.29Å; L68-N72 VanDerWaalsContact O-N 3.15Å; L68-N72 PolarHBondContact O-ND2 2.8Å; E70-N72 VanDerWaalsContact C-N 3.3Å; E70-N72 PolarHBondContact O-N 2.89Å; N72-K76 WeakPolarHBondContact O-CB 3.38Å; N72-K76 WeakPolarHBondContact O-CD 3.08Å; N72-K76 WeakPolarHBondContact O-CG 3.18Å; N72-K76 PolarHBondContact O-N 2.81Å
73R72.3Confident71.1Confident165 Ų16568.6 Ų68.662%0.62335%0.35SS*.Hα-helixtrans-65.8-46.6174-170.9-173.4-55.9173.86110.3E69 E70 I71 K76 S77E69-R73 VanDerWaalsContact O-CB 3.31Å; E69-R73 WeakPolarHBondContact O-CB 3.44Å; E69-R73 PolarHBondContact O-N 3.07Å; E70-R73 WeakPolarHBondContact O-CB 3.43Å; E70-R73 PolarHBondContact O-N 3.27Å; I71-R73 VanDerWaalsContact C-N 3.34Å; I71-R73 PolarHBondContact O-N 3.46Å; R73-K76 WeakPolarHBondContact O-CB 3.48Å; R73-K76 PolarHBondContact O-N 2.91Å; R73-S77 PolarHBondContact O-N 2.97Å; R73-S77 PolarHBondContact O-OG 2.84Å
74E71.5Confident73.2Confident38 Ų3868.9 Ų68.918%0.17834%0.34CS..Hα-helixtrans-63.1-46.1177.6-168.565.5-179.300111.3E70 I71 K76 S77 M78 G177E70-E74 PolarHBondContact O-N 2.96Å; I71-E74 PolarHBondContact O-N 3.3Å; E74-K76 VanDerWaalsContact C-N 3.29Å; E74-K76 PolarHBondContact O-N 3.5Å; E74-S77 WeakPolarHBondContact O-CA 3.31Å; E74-S77 VanDerWaalsContact O-CB 3.31Å; E74-S77 WeakPolarHBondContact O-CB 3.26Å; E74-S77 PolarHBondContact O-N 2.84Å; E74-M78 WeakPolarHBondContact O-CG 3.42Å; E74-M78 PolarHBondContact O-N 2.69Å; E74-G177 WeakPolarHBondContact OE1-CA 3.48Å
75I74.7Confident75.3Confident5 Ų567 Ų673%0.02633%0.328CS..Hα-helixtrans-61.8-35.7176.5-62.8162.9000112.2I71 M78 K79 S92 L99 I101 V178I71-I75 HydrophobicContact CG2-CD1 3.9Å; I71-I75 VanDerWaalsContact O-CG1 3.3Å; I71-I75 WeakPolarHBondContact O-CG1 3.37Å; I71-I75 PolarHBondContact O-N 3.4Å; I75-M78 HydrophobicContact CB-CE 4.2Å; I75-M78 HydrophobicContact CG1-CE 3.8Å; I75-M78 HydrophobicContact CG2-CE 4.37Å; I75-M78 PolarHBondContact O-N 2.79Å; I75-K79 WeakPolarHBondContact O-CB 3.28Å; I75-K79 PolarHBondContact O-N 3.19Å; I75-S92 WeakPolarHBondContact CG2-OG 3.21Å; I75-L99 HydrophobicContact CD1-CD1 4.37Å; I75-L99 HydrophobicContact CD1-CD2 4.06Å; I75-I101 HydrophobicContact CD1-CD1 3.74Å; I75-I101 HydrophobicContact CD1-CG1 4.05Å; I75-I101 HydrophobicContact CG1-CD1 4.31Å; I75-V178 HydrophobicContact CD1-CG2 4.5Å; I75-V178 HydrophobicContact CG1-CG2 3.85Å
76K76.3Confident77.4Confident148 Ų14863.8 Ų63.864%0.64331%0.306SS*.Hα-helixtrans-64.1-39.3172.8-77.6169.6-177.8178.10112.2N72 R73 E74 K79N72-K76 WeakPolarHBondContact O-CB 3.38Å; N72-K76 WeakPolarHBondContact O-CD 3.08Å; N72-K76 WeakPolarHBondContact O-CG 3.18Å; N72-K76 PolarHBondContact O-N 2.81Å; R73-K76 WeakPolarHBondContact O-CB 3.48Å; R73-K76 PolarHBondContact O-N 2.91Å; E74-K76 VanDerWaalsContact C-N 3.29Å; E74-K76 PolarHBondContact O-N 3.5Å; K76-K79 PolarHBondContact O-N 2.97Å
77S73.6Confident79.2Confident49 Ų4963.2 Ų63.234%0.34330%0.301SS..Hα-helixtrans-60.4-48.1172.3-56.70000110.9R73 E74 K79 N80R73-S77 PolarHBondContact O-N 2.97Å; R73-S77 PolarHBondContact O-OG 2.84Å; E74-S77 WeakPolarHBondContact O-CA 3.31Å; E74-S77 VanDerWaalsContact O-CB 3.31Å; E74-S77 WeakPolarHBondContact O-CB 3.26Å; E74-S77 PolarHBondContact O-N 2.84Å; S77-K79 PolarHBondContact O-N 3.14Å; S77-N80 PolarHBondContact O-N 3.3Å
78M77.1Confident80.5Confident1 Ų162.4 Ų62.41%0.00530%0.297CS..Hα-helixtrans-62.5-37.1179.4-60.9-165.2-58.100113.6E74 I75 N80 M81 Y89 F176 V178E74-M78 WeakPolarHBondContact O-CG 3.42Å; E74-M78 PolarHBondContact O-N 2.69Å; I75-M78 HydrophobicContact CB-CE 4.2Å; I75-M78 HydrophobicContact CG1-CE 3.8Å; I75-M78 HydrophobicContact CG2-CE 4.37Å; I75-M78 PolarHBondContact O-N 2.79Å; M78-N80 PolarHBondContact O-N 3.4Å; M78-N80 VanDerWaalsContact O-N 3.14Å; M78-M81 VanDerWaalsContact O-CB 3.28Å; M78-M81 WeakPolarHBondContact O-CB 3.48Å; M78-M81 PolarHBondContact O-N 2.95Å; M78-Y89 HydrophobicContact CB-CD2 3.7Å; M78-Y89 HydrophobicContact CB-CE2 4.23Å; M78-Y89 HydrophobicContact CB-CG 4.21Å; M78-Y89 HydrophobicContact CE-CD1 3.94Å; M78-Y89 HydrophobicContact CE-CD2 3.98Å; M78-Y89 HydrophobicContact CE-CE1 3.81Å; M78-Y89 HydrophobicContact CE-CE2 3.84Å; M78-Y89 HydrophobicContact CE-CG 4.02Å; M78-Y89 HydrophobicContact CG-CD2 4.45Å; M78-Y89 HydrophobicContact SD-CD2 4Å; M78-Y89 HydrophobicContact SD-CE2 3.58Å; M78-Y89 VanDerWaalsContact SD-CE2 3.58Å; M78-F176 HydrophobicContact CB-CE2 4.08Å; M78-F176 HydrophobicContact CB-CZ 3.91Å; M78-F176 HydrophobicContact CG-CD2 4.17Å; M78-F176 HydrophobicContact CG-CE2 3.6Å; M78-F176 HydrophobicContact CG-CZ 3.88Å; M78-F176 HydrophobicContact SD-CD2 4.18Å; M78-F176 HydrophobicContact SD-CE1 4.47Å; M78-F176 HydrophobicContact SD-CE2 4.08Å; M78-F176 HydrophobicContact SD-CG 4.43Å; M78-F176 HydrophobicContact SD-CZ 4.22Å; M78-V178 HydrophobicContact CE-CG2 3.44Å; M78-V178 VanDerWaalsContact CE-CG2 3.44Å; M78-V178 HydrophobicContact SD-CG2 4.21Å
79K81.9Confident81.4Confident107 Ų10759.5 Ų59.547%0.46528%0.281SS..Hα-helixtrans-60.5-22.8-179.9177.7164176.1159.70113.8I75 K76 S77 Y90I75-K79 WeakPolarHBondContact O-CB 3.28Å; I75-K79 PolarHBondContact O-N 3.19Å; K76-K79 PolarHBondContact O-N 2.97Å; S77-K79 PolarHBondContact O-N 3.14Å; K79-Y90 WeakPolarHBondContact CE-O 3.42Å; K79-Y90 PolarHBondContact NZ-O 2.82Å
80N82.4Confident82.4Confident123 Ų12356 Ų5666%0.65826%0.262SS*.THydrogen-bonded Turntrans-85.4-12.8176.4-66.4-33.5000113.4S77 M78 K82S77-N80 PolarHBondContact O-N 3.3Å; M78-N80 PolarHBondContact O-N 3.4Å; M78-N80 VanDerWaalsContact O-N 3.14Å; N80-K82 PolarHBondContact O-N 3.49Å
81M84.4Confident83.4Confident13 Ų1353.3 Ų53.36%0.06425%0.251CS..  trans-75.1111.6-179.7-60.4-64-77.600110.3M78 I86 Y147 I148 N151 L153 F176M78-M81 VanDerWaalsContact O-CB 3.28Å; M78-M81 WeakPolarHBondContact O-CB 3.48Å; M78-M81 PolarHBondContact O-N 2.95Å; M81-I86 HydrophobicContact CE-CD1 4.41Å; M81-Y147 HydrophobicContact CB-CE1 4.13Å; M81-Y147 HydrophobicContact CE-CD1 3.48Å; M81-Y147 VanDerWaalsContact CE-CD1 3.48Å; M81-Y147 HydrophobicContact CE-CE1 3.47Å; M81-Y147 VanDerWaalsContact CE-CE1 3.47Å; M81-Y147 HydrophobicContact SD-CD1 4.48Å; M81-Y147 HydrophobicContact SD-CE1 3.87Å; M81-I148 HydrophobicContact CE-CG1 4.14Å; M81-N151 HydrophobicContact CE-CB 4.06Å; M81-N151 HydrophobicContact SD-CB 4.06Å; M81-L153 HydrophobicContact CE-CD1 4Å; M81-L153 HydrophobicContact CG-CD1 4.36Å; M81-L153 HydrophobicContact SD-CD1 3.91Å; M81-F176 HydrophobicContact CB-CZ 4.02Å; M81-F176 HydrophobicContact CG-CE2 4.05Å; M81-F176 HydrophobicContact CG-CZ 3.89Å
82K86.4Confident84.4Confident174 Ų17453.8 Ų53.876%0.75726%0.255SS*.  trans-120.797.3-178.6-67.2-177.7-178.2179.40110.3N80 Y147N80-K82 PolarHBondContact O-N 3.49Å; K82-Y147 PolarHBondContact N-OH 3.34Å
83N93.1Very high85.2Confident44 Ų4453 Ų5324%0.23525%0.25CC..  trans-145.8141.6-179.8-171-77.3000109.9N85 I86 Y147N83-N85 PolarHBondContact O-N 3.33Å; N83-N85 PolarHBondContact OD1-N 3.26Å; N83-I86 HydrophobicContact CB-CB 4.18Å; N83-I86 HydrophobicContact CB-CD1 3.73Å; N83-I86 HydrophobicContact CB-CG1 3.88Å; N83-I86 PolarHBondContact O-N 3.31Å; N83-Y147 HydrophobicContact CB-CD1 3.77Å; N83-Y147 HydrophobicContact CB-CE1 4.05Å; N83-Y147 HydrophobicContact CB-CG 4.1Å; N83-Y147 WeakPolarHBondContact ND2-CB 3.39Å
84E95.1Very high85.9Confident106 Ų10648.1 Ų48.150%0.49524%0.238SC..THydrogen-bonded Turntrans-59.2-34.4179.6-174.2179.5-169.500112.2I170 Q172 R312E84-I170 HydrophobicContact CG-CD1 3.79Å; E84-I170 HydrophobicContact CG-CG1 4.42Å; E84-I170 HydrophobicContact CG-CG2 4.15Å; E84-I170 VanDerWaalsContact OE1-CD1 3.26Å; E84-I170 WeakPolarHBondContact OE1-CD1 3.49Å; E84-Q172 WeakPolarHBondContact O-CG 3.43Å; E84-Q172 PolarHBondContact O-NE2 2.97Å; E84-R312 IonicContact OE1-NH1 3.59Å
85N96.3Very high86.7Confident3 Ų347.3 Ų47.32%0.01624%0.238CC..THydrogen-bonded Turntrans-9721-175.8-57.4120.9000113.8N83 D140 R143 I171 Q172 I173N83-N85 PolarHBondContact O-N 3.33Å; N83-N85 PolarHBondContact OD1-N 3.26Å; N85-D140 WeakPolarHBondContact CB-O 3.44Å; N85-D140 VanDerWaalsContact CG-O 3.27Å; N85-D140 VanDerWaalsContact ND2-CB 3.26Å; N85-D140 WeakPolarHBondContact ND2-CB 3.2Å; N85-D140 VanDerWaalsContact ND2-CG 3.3Å; N85-D140 PolarHBondContact ND2-OD2 3.04Å; N85-D140 PolarHBondContact OD1-O 3.01Å; N85-R143 VanDerWaalsContact OD1-CB 3.31Å; N85-R143 WeakPolarHBondContact OD1-CB 3.48Å; N85-R143 WeakPolarHBondContact OD1-CD 3.3Å; N85-I171 WeakPolarHBondContact CA-O 3.19Å; N85-I171 PolarHBondContact ND2-O 2.61Å; N85-Q172 WeakPolarHBondContact O-CA 3.48Å; N85-I173 PolarHBondContact O-N 3.48Å
86I94.2Very high87.2Confident2 Ų256 Ų561%0.0128%0.279CS..BIsolated β-bridgetrans-130.2138.2174.6-58.7178000108.4M81 N83 A88 Y147 I148 Q172 F176M81-I86 HydrophobicContact CE-CD1 4.41Å; N83-I86 HydrophobicContact CB-CB 4.18Å; N83-I86 HydrophobicContact CB-CD1 3.73Å; N83-I86 HydrophobicContact CB-CG1 3.88Å; N83-I86 PolarHBondContact O-N 3.31Å; I86-A88 PolarHBondContact O-N 3.35Å; I86-Y147 HydrophobicContact CD1-CD1 3.65Å; I86-Y147 HydrophobicContact CD1-CE1 4.38Å; I86-I148 HydrophobicContact CD1-CD1 4.07Å; I86-I148 HydrophobicContact CD1-CG1 3.62Å; I86-I148 HydrophobicContact CG1-CD1 4.48Å; I86-Q172 PolarHBondContact O-NE2 3.39Å; I86-Q172 VanDerWaalsContact O-NE2 3.07Å; I86-F176 HydrophobicContact CG2-CD1 3.9Å; I86-F176 HydrophobicContact CG2-CE1 3.22Å; I86-F176 HydrophobicContact CG2-CZ 3.92Å
87V93Very high87.5Confident1 Ų151.5 Ų51.51%0.00626%0.264CS..PPolyproline II helixtrans-64.6121.9174.2175.20000109.5Y89 M103 D104 L164 Q172 I173 A174V87-Y89 PolarHBondContact O-N 3.05Å; V87-M103 HydrophobicContact CG1-CB 4.03Å; V87-M103 HydrophobicContact CG1-CG 4.18Å; V87-M103 HydrophobicContact CG1-SD 4.29Å; V87-D104 HydrophobicContact CG1-CB 3.95Å; V87-L164 HydrophobicContact CG2-CD1 4.13Å; V87-Q172 HydrophobicContact CG2-CB 3.78Å; V87-I173 PolarHBondContact N-O 2.8Å; V87-A174 HydrophobicContact CB-CB 4.45Å; V87-A174 HydrophobicContact CG2-CB 3.74Å
88A91Very high88.3Confident26 Ų2651.7 Ų51.722%0.21526%0.259CS..PPolyproline II helixtrans-72.7127.7-179.400000111.4I86 Y90 M103 D104I86-A88 PolarHBondContact O-N 3.35Å; A88-Y90 HydrophobicContact CB-CD1 4.47Å; A88-Y90 HydrophobicContact CB-CE1 3.86Å; A88-M103 CarbonylContact O-C 3.5Å; A88-M103 WeakPolarHBondContact O-CA 3.4Å; A88-M103 WeakPolarHBondContact O-CB 3.41Å; A88-D104 HydrophobicContact CB-CB 4.25Å; A88-D104 PolarHBondContact O-N 2.82Å
89Y89.3Confident88.8Confident13 Ų1351.8 Ų51.85%0.05126%0.26CS..EExtended strand (participates in β ladder)trans-94.5119.8172.1-69.2-81.1000110.5M78 V87 I101 M103 D175 F176M78-Y89 HydrophobicContact CB-CD2 3.7Å; M78-Y89 HydrophobicContact CB-CE2 4.23Å; M78-Y89 HydrophobicContact CB-CG 4.21Å; M78-Y89 HydrophobicContact CE-CD1 3.94Å; M78-Y89 HydrophobicContact CE-CD2 3.98Å; M78-Y89 HydrophobicContact CE-CE1 3.81Å; M78-Y89 HydrophobicContact CE-CE2 3.84Å; M78-Y89 HydrophobicContact CE-CG 4.02Å; M78-Y89 HydrophobicContact CG-CD2 4.45Å; M78-Y89 HydrophobicContact SD-CD2 4Å; M78-Y89 HydrophobicContact SD-CE2 3.58Å; M78-Y89 VanDerWaalsContact SD-CE2 3.58Å; V87-Y89 PolarHBondContact O-N 3.05Å; Y89-I101 HydrophobicContact CD1-CG2 3.59Å; Y89-I101 HydrophobicContact CE1-CG2 3.9Å; Y89-M103 HydrophobicContact CD1-CB 4.1Å; Y89-M103 HydrophobicContact CD1-CE 4.33Å; Y89-M103 HydrophobicContact CE1-CB 4.36Å; Y89-M103 HydrophobicContact CE1-CE 3.8Å; Y89-M103 HydrophobicContact CE1-SD 4.21Å; Y89-D175 PolarHBondContact OH-N 3.38Å; Y89-F176 HydrophobicContact CD2-CE1 4.01Å; Y89-F176 HydrophobicContact CD2-CZ 4.29Å; Y89-F176 AromaticContact CE2-CD1 3.94Å; Y89-F176 HydrophobicContact CE2-CD1 3.94Å; Y89-F176 AromaticContact CE2-CE1 3.48Å; Y89-F176 HydrophobicContact CE2-CE1 3.48Å; Y89-F176 VanDerWaalsContact CE2-CE1 3.48Å; Y89-F176 HydrophobicContact CE2-CZ 4.1Å
90Y89.4Confident89.2Confident56 Ų5646.7 Ų46.722%0.2224%0.238CC..EExtended strand (participates in β ladder)trans-96-46.9-172.1-64.7-44.7000113.2W19 K79 A88 I102 D104W19-Y90 HydrophobicContact CD2-CD2 4.24Å; W19-Y90 HydrophobicContact CD2-CG 4.15Å; W19-Y90 AromaticContact CE2-CD2 3.63Å; W19-Y90 AromaticContact CE2-CG 3.52Å; W19-Y90 AromaticContact CH2-CD2 3.72Å; W19-Y90 HydrophobicContact CH2-CD2 3.72Å; W19-Y90 AromaticContact CH2-CE2 3.79Å; W19-Y90 HydrophobicContact CH2-CE2 3.79Å; W19-Y90 HydrophobicContact CH2-CG 4.47Å; W19-Y90 HydrophobicContact CZ2-CD1 4.16Å; W19-Y90 AromaticContact CZ2-CD2 3.34Å; W19-Y90 HydrophobicContact CZ2-CD2 3.34Å; W19-Y90 HydrophobicContact CZ2-CE1 4.26Å; W19-Y90 AromaticContact CZ2-CE2 3.43Å; W19-Y90 HydrophobicContact CZ2-CE2 3.43Å; W19-Y90 VanDerWaalsContact CZ2-CE2 3.43Å; W19-Y90 AromaticContact CZ2-CG 3.71Å; W19-Y90 HydrophobicContact CZ2-CG 3.71Å; W19-Y90 AromaticContact CZ2-CZ 3.89Å; W19-Y90 HydrophobicContact CZ3-CD2 4.32Å; W19-Y90 AromaticContact NE1-CD1 3.69Å; W19-Y90 AromaticContact NE1-CG 3.57Å; K79-Y90 WeakPolarHBondContact CE-O 3.42Å; K79-Y90 PolarHBondContact NZ-O 2.82Å; A88-Y90 HydrophobicContact CB-CD1 4.47Å; A88-Y90 HydrophobicContact CB-CE1 3.86Å; Y90-I102 HydrophobicContact CD2-CG2 4.46Å; Y90-I102 PolarHBondContact N-O 2.94Å; Y90-D104 PolarHBondContact OH-OD1 3.31Å
91A88.7Confident89.5Confident5 Ų541 Ų414%0.04121%0.207CC..EExtended strand (participates in β ladder)trans-158.1162.8-17800000110.8W19 M21 I102W19-A91 HydrophobicContact CB-CB 3.97Å; M21-A91 HydrophobicContact SD-CB 3.97Å; A91-I102 HydrophobicContact CB-CB 4.24Å; A91-I102 HydrophobicContact CB-CG1 4.11Å; A91-I102 PolarHBondContact N-O 3.31Å; A91-I102 PolarHBondContact O-N 3.2Å
92S88.7Confident89.9Confident19 Ų1940.4 Ų40.413%0.13320%0.204CC..EExtended strand (participates in β ladder)trans-142.9145.6165.556.70000110.1M21 I75 C100M21-S92 WeakPolarHBondContact CE-O 3.37Å; I75-S92 WeakPolarHBondContact CG2-OG 3.21Å; S92-C100 CarbonylContact C-O 3.53Å; S92-C100 WeakPolarHBondContact CA-O 3.2Å; S92-C100 WeakPolarHBondContact CB-O 3.45Å
93F89.6Confident90.2Very high14 Ų1432.7 Ų32.76%0.06117%0.171CC..EExtended strand (participates in β ladder)trans-149.3159.4175.156.4-97.1000110.3M21 K23 Y26 C100 I102M21-F93 HydrophobicContact CB-CB 4.48Å; M21-F93 HydrophobicContact CE-CB 4.31Å; M21-F93 WeakPolarHBondContact O-CB 3.28Å; M21-F93 VanDerWaalsContact O-CG 3.3Å; M21-F93 WeakPolarHBondContact O-CG 3.43Å; K23-F93 HydrophobicContact CB-CE2 4.08Å; Y26-F93 HydrophobicContact CD2-CE1 4.49Å; Y26-F93 HydrophobicContact CD2-CZ 4.33Å; Y26-F93 AromaticContact CE2-CE1 3.77Å; Y26-F93 HydrophobicContact CE2-CE1 3.77Å; Y26-F93 HydrophobicContact CE2-CZ 4.05Å; F93-C100 HydrophobicContact CD2-CB 3.86Å; F93-C100 HydrophobicContact CE1-CB 4.27Å; F93-C100 HydrophobicContact CE2-CB 3.49Å; F93-C100 VanDerWaalsContact CE2-CB 3.49Å; F93-C100 HydrophobicContact CG-CB 4.38Å; F93-C100 HydrophobicContact CZ-CB 3.72Å; F93-C100 PolarHBondContact N-O 2.63Å; F93-C100 PolarHBondContact O-N 2.93Å; F93-I102 HydrophobicContact CE1-CD1 3.74Å; F93-I102 HydrophobicContact CE1-CG1 3.95Å; F93-I102 HydrophobicContact CZ-CD1 4.19Å
94V88Confident90.2Very high63 Ų6332.2 Ų32.238%0.38217%0.168SC..EExtended strand (participates in β ladder)trans-103130.5178.2-174.70000108.1L59 L68 E98 L99L59-V94 HydrophobicContact CD1-CG1 4.29Å; L68-V94 HydrophobicContact CD1-CG1 4.39Å; L68-V94 HydrophobicContact CD1-CG2 3.87Å; L68-V94 HydrophobicContact CD2-CG2 4.16Å; L68-V94 HydrophobicContact CG-CG2 4.39Å; V94-E98 CarbonylContact C-O 3.44Å; V94-E98 WeakPolarHBondContact CA-O 3.32Å; V94-L99 HydrophobicContact CG2-CD1 4.37Å
95A86.5Confident90Very high22 Ų2227.9 Ų27.918%0.18215%0.149CC..EExtended strand (participates in β ladder)trans-124.2105.5174.100000108K23 T97 E98K23-A95 HydrophobicContact CB-CB 4.48Å; A95-T97 PolarHBondContact O-N 3.47Å; A95-T97 VanDerWaalsContact O-N 3.16Å; A95-E98 PolarHBondContact N-O 3.42Å; A95-E98 WeakPolarHBondContact O-CB 3.4Å; A95-E98 PolarHBondContact O-N 2.87Å
96Q85.8Confident89.7Confident188 Ų18828.3 Ų28.388%0.87915%0.152SC*.THydrogen-bonded Turntrans55.3-116.4-172.6-57.2171.2-11.300110.8
97T83.9Confident89.2Confident53 Ų5332.1 Ų32.133%0.32517%0.17SC..THydrogen-bonded Turntrans-97.810.8178.560.70000113.2L59 E60 A95L59-T97 WeakPolarHBondContact CB-O 3.41Å; L59-T97 PolarHBondContact N-O 2.9Å; E60-T97 HydrophobicContact CG-CG2 4.04Å; E60-T97 PolarHBondContact OE2-OG1 3.3Å; A95-T97 PolarHBondContact O-N 3.47Å; A95-T97 VanDerWaalsContact O-N 3.16Å
98E88.7Confident88.9Confident52 Ų5235.3 Ų35.324%0.24318%0.181CC..EExtended strand (participates in β ladder)trans-107.9126.3179.4-61.7-176.6146.800112.2K23 I56 I57 V94 A95K23-E98 IonicContact NZ-OE1 2.69Å; K23-E98 IonicContact NZ-OE2 3.68Å; K23-E98 PolarHBondContact NZ-OE2 3.2Å; I56-E98 HydrophobicContact CG2-CB 3.76Å; I56-E98 HydrophobicContact CG2-CG 3.81Å; I57-E98 CarbonylContact O-C 3.44Å; I57-E98 WeakPolarHBondContact O-CA 3.04Å; V94-E98 CarbonylContact C-O 3.44Å; V94-E98 WeakPolarHBondContact CA-O 3.32Å; A95-E98 PolarHBondContact N-O 3.42Å; A95-E98 WeakPolarHBondContact O-CB 3.4Å; A95-E98 PolarHBondContact O-N 2.87Å
99L87.4Confident88.8Confident4 Ų434.4 Ų34.42%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-87.5115.2164.217162.6000109.3I56 I57 L59 I71 I75 V94 I101I56-L99 WeakPolarHBondContact CA-O 3.31Å; I57-L99 HydrophobicContact CB-CB 4.37Å; I57-L99 HydrophobicContact CD1-CD2 4.39Å; I57-L99 PolarHBondContact N-O 3.17Å; I57-L99 PolarHBondContact O-N 3.43Å; L59-L99 HydrophobicContact CD1-CB 4.25Å; L59-L99 HydrophobicContact CD2-CB 3.88Å; L59-L99 HydrophobicContact CD2-CD2 4.46Å; L59-L99 HydrophobicContact CG-CB 4.14Å; I71-L99 HydrophobicContact CG2-CD2 3.43Å; I71-L99 VanDerWaalsContact CG2-CD2 3.43Å; I75-L99 HydrophobicContact CD1-CD1 4.37Å; I75-L99 HydrophobicContact CD1-CD2 4.06Å; V94-L99 HydrophobicContact CG2-CD1 4.37Å; L99-I101 HydrophobicContact CD1-CG1 4.49Å; L99-I101 HydrophobicContact CD2-CD1 4.37Å; L99-I101 HydrophobicContact CD2-CG1 4.48Å; L99-I101 HydrophobicContact CG-CG1 4.11Å
100C91Very high89Confident0 Ų034.1 Ų34.10%018%0.175CC..EExtended strand (participates in β ladder)trans-95.8127.5174.4-63.70000109.8I54 K55 S92 F93I54-C100 HydrophobicContact CG2-CB 4.3Å; K55-C100 CarbonylContact O-C 3.58Å; K55-C100 WeakPolarHBondContact O-CA 3.45Å; S92-C100 CarbonylContact C-O 3.53Å; S92-C100 WeakPolarHBondContact CA-O 3.2Å; S92-C100 WeakPolarHBondContact CB-O 3.45Å; F93-C100 HydrophobicContact CD2-CB 3.86Å; F93-C100 HydrophobicContact CE1-CB 4.27Å; F93-C100 HydrophobicContact CE2-CB 3.49Å; F93-C100 VanDerWaalsContact CE2-CB 3.49Å; F93-C100 HydrophobicContact CG-CB 4.38Å; F93-C100 HydrophobicContact CZ-CB 3.72Å; F93-C100 PolarHBondContact N-O 2.63Å; F93-C100 PolarHBondContact O-N 2.93Å
101I89.6Confident89.2Confident3 Ų331.5 Ų31.52%0.01516%0.164CC..EExtended strand (participates in β ladder)trans-119.1120.3175.7-49.2179.2000108.6I54 K55 I57 I75 Y89 L99 M103 V178I54-I101 WeakPolarHBondContact CA-O 3.19Å; K55-I101 HydrophobicContact CB-CB 4.44Å; K55-I101 PolarHBondContact N-O 2.97Å; K55-I101 PolarHBondContact O-N 2.88Å; I57-I101 HydrophobicContact CD1-CD1 3.9Å; I75-I101 HydrophobicContact CD1-CD1 3.74Å; I75-I101 HydrophobicContact CD1-CG1 4.05Å; I75-I101 HydrophobicContact CG1-CD1 4.31Å; Y89-I101 HydrophobicContact CD1-CG2 3.59Å; Y89-I101 HydrophobicContact CE1-CG2 3.9Å; L99-I101 HydrophobicContact CD1-CG1 4.49Å; L99-I101 HydrophobicContact CD2-CD1 4.37Å; L99-I101 HydrophobicContact CD2-CG1 4.48Å; L99-I101 HydrophobicContact CG-CG1 4.11Å; I101-M103 HydrophobicContact CB-CE 3.96Å; I101-M103 HydrophobicContact CG2-CE 3.79Å; I101-V178 HydrophobicContact CD1-CG2 4.42Å
102I92.8Very high89.4Confident0 Ų033 Ų330%017%0.172CC..EExtended strand (participates in β ladder)trans-95.9124.6-177.9-43.6-59.4000108.7W19 Y26 C52 I54 Y90 A91 F93W19-I102 HydrophobicContact CD2-CG2 4.46Å; W19-I102 HydrophobicContact CE3-CG2 3.81Å; W19-I102 HydrophobicContact CZ3-CG2 4.08Å; Y26-I102 HydrophobicContact CE1-CD1 4.26Å; Y26-I102 HydrophobicContact CE1-CG2 4.13Å; Y26-I102 HydrophobicContact CE2-CD1 4.15Å; C52-I102 HydrophobicContact CB-CG2 4.07Å; I54-I102 HydrophobicContact CB-CD1 4.27Å; I54-I102 HydrophobicContact CD1-CD1 3.72Å; I54-I102 HydrophobicContact CG1-CD1 3.62Å; I54-I102 HydrophobicContact CG2-CD1 3.91Å; Y90-I102 HydrophobicContact CD2-CG2 4.46Å; Y90-I102 PolarHBondContact N-O 2.94Å; A91-I102 HydrophobicContact CB-CB 4.24Å; A91-I102 HydrophobicContact CB-CG1 4.11Å; A91-I102 PolarHBondContact N-O 3.31Å; A91-I102 PolarHBondContact O-N 3.2Å; F93-I102 HydrophobicContact CE1-CD1 3.74Å; F93-I102 HydrophobicContact CE1-CG1 3.95Å; F93-I102 HydrophobicContact CZ-CD1 4.19Å
103M92.3Very high89.6Confident13 Ų1333.7 Ų33.76%0.06417%0.174CC..EExtended strand (participates in β ladder)trans-146.7172.8-173.269.4-167.97200113.2C52 A53 K55 V87 A88 Y89 I101C52-M103 WeakPolarHBondContact CB-O 3.27Å; A53-M103 HydrophobicContact CB-CG 3.82Å; A53-M103 PolarHBondContact N-O 2.93Å; A53-M103 PolarHBondContact O-N 3.48Å; K55-M103 HydrophobicContact CB-CE 3.46Å; K55-M103 VanDerWaalsContact CB-CE 3.46Å; K55-M103 HydrophobicContact CD-CE 4.31Å; V87-M103 HydrophobicContact CG1-CB 4.03Å; V87-M103 HydrophobicContact CG1-CG 4.18Å; V87-M103 HydrophobicContact CG1-SD 4.29Å; A88-M103 CarbonylContact O-C 3.5Å; A88-M103 WeakPolarHBondContact O-CA 3.4Å; A88-M103 WeakPolarHBondContact O-CB 3.41Å; Y89-M103 HydrophobicContact CD1-CB 4.1Å; Y89-M103 HydrophobicContact CD1-CE 4.33Å; Y89-M103 HydrophobicContact CE1-CB 4.36Å; Y89-M103 HydrophobicContact CE1-CE 3.8Å; Y89-M103 HydrophobicContact CE1-SD 4.21Å; I101-M103 HydrophobicContact CB-CE 3.96Å; I101-M103 HydrophobicContact CG2-CE 3.79Å
104D92.1Very high89.7Confident33 Ų3333.4 Ų33.418%0.17617%0.173CC..  trans-56.7136174.7-124.6-10.4000112V87 A88 Y90 K166V87-D104 HydrophobicContact CG1-CB 3.95Å; A88-D104 HydrophobicContact CB-CB 4.25Å; A88-D104 PolarHBondContact O-N 2.82Å; Y90-D104 PolarHBondContact OH-OD1 3.31Å; D104-K166 IonicContact OD1-NZ 3.35Å; D104-K166 IonicContact OD2-NZ 3.52Å; D104-K166 PolarHBondContact OD2-NZ 2.85Å
105L92.1Very high89.9Confident15 Ų1530.4 Ų30.48%0.07916%0.155CC..  trans-90.2107.9178-179.965.3000110.5I32 E42 K51 A53 Q107I32-L105 HydrophobicContact CD1-CD1 3.62Å; E42-L105 HydrophobicContact CB-CD1 4.44Å; E42-L105 HydrophobicContact CG-CD1 4.46Å; E42-L105 HydrophobicContact CG-CD2 3.9Å; K51-L105 HydrophobicContact CB-CD2 3.94Å; K51-L105 HydrophobicContact CD-CD2 4.29Å; A53-L105 HydrophobicContact CB-CD1 4.06Å; L105-Q107 HydrophobicContact CG-CG 4.47Å; L105-Q107 PolarHBondContact O-OE1 2.72Å
106C89.5Confident90.1Very high12 Ų1232.6 Ų32.68%0.08116%0.16CC..  trans-88.7108169.7-63.60000110R108 L164 Q172C106-R108 VanDerWaalsContact C-N 3.3Å; C106-R108 PolarHBondContact O-N 3.45Å; C106-L164 HydrophobicContact CB-CB 3.52Å; C106-L164 HydrophobicContact CB-CD1 3.9Å; C106-L164 HydrophobicContact CB-CG 4.34Å; C106-Q172 PolarHBondContact SG-OE1 2.79Å; C106-Q172 VanDerWaalsContact SG-OE1 3.41Å
107Q84.8Confident90.2Very high83 Ų8326.5 Ų26.539%0.38813%0.13SC..THydrogen-bonded Turntrans-74.1-18.4-163.8-5287.7-23.200113.7L105 D167L105-Q107 HydrophobicContact CG-CG 4.47Å; L105-Q107 PolarHBondContact O-OE1 2.72Å; Q107-D167 HydrophobicContact CB-CB 4.34Å; Q107-D167 VanDerWaalsContact CD-CG 3.44Å; Q107-D167 HydrophobicContact CG-CB 4.25Å; Q107-D167 PolarHBondContact NE2-OD1 2.88Å; Q107-D167 PolarHBondContact NE2-OD2 3.24Å; Q107-D167 VanDerWaalsContact NE2-OD2 3.08Å; Q107-D167 PolarHBondContact OE1-OD1 3.46Å
108R85.1Confident90.5Very high67 Ų6724.9 Ų24.925%0.25312%0.12SC..THydrogen-bonded Turntrans-113.129.5-173.9-63179.7-178.1-96.42.4113.2C106 V165 L320 M324C106-R108 VanDerWaalsContact C-N 3.3Å; C106-R108 PolarHBondContact O-N 3.45Å; R108-V165 HydrophobicContact CB-CB 4.06Å; R108-V165 HydrophobicContact CB-CG1 4.24Å; R108-V165 PolarHBondContact N-O 2.92Å; R108-L320 VanDerWaalsContact CZ-CB 3.5Å; R108-M324 HydrophobicContact CB-CE 4.29Å; R108-M324 WeakPolarHBondContact O-CE 3.31Å
109G89.2Confident90.6Very high7 Ų727.3 Ų27.37%0.07213%0.131CC..  trans59.9-151.5173.300000113L164 V165G109-L164 VanDerWaalsContact O-CA 3.28Å; G109-L164 WeakPolarHBondContact O-CA 3.5Å; G109-V165 PolarHBondContact O-N 3.36Å
110S93.3Very high90.7Very high8 Ų833.3 Ų33.36%0.05616%0.163CC..BIsolated β-bridgetrans-98.1160.4-179.4710000112.7L112 D113 V114 G161 L163S110-L112 PolarHBondContact O-N 2.93Å; S110-L112 PolarHBondContact OG-N 2.99Å; S110-D113 WeakPolarHBondContact CB-OD2 3.44Å; S110-D113 PolarHBondContact N-OD2 3.33Å; S110-D113 WeakPolarHBondContact O-CB 3.46Å; S110-D113 PolarHBondContact O-N 2.9Å; S110-D113 VanDerWaalsContact OG-CG 3.27Å; S110-D113 PolarHBondContact OG-N 2.93Å; S110-D113 PolarHBondContact OG-OD2 2.63Å; S110-V114 PolarHBondContact O-N 3.15Å; S110-G161 VanDerWaalsContact CB-O 3.27Å; S110-G161 WeakPolarHBondContact CB-O 3.42Å; S110-L163 CarbonylContact C-O 3.57Å; S110-L163 VanDerWaalsContact CA-O 3.3Å; S110-L163 WeakPolarHBondContact CA-O 3.19Å
111L94.9Very high90.5Very high0 Ų040.3 Ų40.30%019%0.194CC..Hα-helixtrans-59.5-27.2169.6-71.6176.9000112.2D113 V114 I115 I137 C160 L163 V165 I171 M234 L319L111-D113 VanDerWaalsContact C-N 3.32Å; L111-D113 PolarHBondContact O-N 3.34Å; L111-V114 HydrophobicContact CD2-CG2 4.48Å; L111-V114 PolarHBondContact O-N 3.42Å; L111-I115 VanDerWaalsContact O-CG1 3.23Å; L111-I115 WeakPolarHBondContact O-CG1 3.45Å; L111-I115 PolarHBondContact O-N 2.91Å; L111-I137 HydrophobicContact CD1-CD1 4.13Å; L111-I137 HydrophobicContact CD1-CG2 3.59Å; L111-I137 HydrophobicContact CD2-CD1 4.01Å; L111-C160 HydrophobicContact CB-CB 3.98Å; L111-C160 PolarHBondContact N-O 3.13Å; L111-L163 HydrophobicContact CB-CB 4.47Å; L111-L163 HydrophobicContact CD1-CB 3.77Å; L111-L163 HydrophobicContact CD1-CD1 3.92Å; L111-L163 HydrophobicContact CG-CB 4.16Å; L111-L163 PolarHBondContact N-O 3.48Å; L111-V165 HydrophobicContact CD2-CG2 3.65Å; L111-V165 HydrophobicContact CG-CG2 4.12Å; L111-I171 HydrophobicContact CD1-CG2 4.47Å; L111-I171 HydrophobicContact CD2-CD1 4.25Å; L111-M234 HydrophobicContact CD1-SD 4.18Å; L111-L319 HydrophobicContact CD2-CD1 4.15Å; L111-L319 HydrophobicContact CD2-CD2 4.24Å
112L92.8Very high90.5Very high38 Ų3846 Ų4620%0.19922%0.215CC..Hα-helixtrans-64.3-35.4171.6-179.963.1000112.2S110 I115 K116 C160S110-L112 PolarHBondContact O-N 2.93Å; S110-L112 PolarHBondContact OG-N 2.99Å; L112-I115 PolarHBondContact O-N 2.84Å; L112-K116 HydrophobicContact CG-CD 4.49Å; L112-K116 WeakPolarHBondContact O-CB 3.28Å; L112-K116 WeakPolarHBondContact O-CG 3.45Å; L112-K116 PolarHBondContact O-N 3.22Å; L112-C160 HydrophobicContact CB-CB 4.25Å; L112-C160 PolarHBondContact N-O 3.1Å
113D91.2Very high90.3Very high32 Ų3251.1 Ų51.117%0.17124%0.242CC..Hα-helixtrans-68.9-39174.8-56.6-57.8000110.9S110 L111 K116 Y117S110-D113 WeakPolarHBondContact CB-OD2 3.44Å; S110-D113 PolarHBondContact N-OD2 3.33Å; S110-D113 WeakPolarHBondContact O-CB 3.46Å; S110-D113 PolarHBondContact O-N 2.9Å; S110-D113 VanDerWaalsContact OG-CG 3.27Å; S110-D113 PolarHBondContact OG-N 2.93Å; S110-D113 PolarHBondContact OG-OD2 2.63Å; L111-D113 VanDerWaalsContact C-N 3.32Å; L111-D113 PolarHBondContact O-N 3.34Å; D113-K116 PolarHBondContact O-N 3.43Å; D113-Y117 WeakPolarHBondContact O-CB 3.14Å; D113-Y117 PolarHBondContact O-N 3.35Å
114V91.7Very high90.2Very high8 Ų851.6 Ų51.65%0.04825%0.245CC..Hα-helixtrans-63-43.5172.9-171.50000111.4S110 L111 Y117 T118 F129 V165 L319 M324S110-V114 PolarHBondContact O-N 3.15Å; L111-V114 HydrophobicContact CD2-CG2 4.48Å; L111-V114 PolarHBondContact O-N 3.42Å; V114-Y117 PolarHBondContact O-N 2.9Å; V114-T118 WeakPolarHBondContact O-CB 3.49Å; V114-T118 PolarHBondContact O-N 2.91Å; V114-T118 PolarHBondContact O-OG1 2.98Å; V114-F129 HydrophobicContact CB-CZ 4.18Å; V114-F129 HydrophobicContact CG1-CE1 4Å; V114-F129 HydrophobicContact CG1-CZ 3.69Å; V114-V165 HydrophobicContact CG2-CG2 4.47Å; V114-L319 HydrophobicContact CG1-CD2 4.07Å; V114-M324 HydrophobicContact CG2-SD 3.74Å
115I92.4Very high90Very high1 Ų152.5 Ų52.51%0.00525%0.252CS..Hα-helixtrans-59.1-51.7176.1-72.1164.5000110L111 L112 Y117 T118 Q119 V128 F129 C160 E233L111-I115 VanDerWaalsContact O-CG1 3.23Å; L111-I115 WeakPolarHBondContact O-CG1 3.45Å; L111-I115 PolarHBondContact O-N 2.91Å; L112-I115 PolarHBondContact O-N 2.84Å; I115-Y117 PolarHBondContact O-N 2.85Å; I115-T118 WeakPolarHBondContact O-CB 3.49Å; I115-T118 PolarHBondContact O-N 2.84Å; I115-Q119 WeakPolarHBondContact O-CB 3.37Å; I115-Q119 PolarHBondContact O-N 3.17Å; I115-V128 HydrophobicContact CG1-CG1 4.09Å; I115-F129 HydrophobicContact CD1-CE2 4.37Å; I115-F129 HydrophobicContact CG1-CE2 3.76Å; I115-F129 HydrophobicContact CG1-CZ 4.25Å; I115-C160 HydrophobicContact CD1-CB 3.99Å; I115-E233 HydrophobicContact CD1-CG 4.44Å
116K90.7Very high89.9Confident67 Ų6758.5 Ų58.529%0.29127%0.274SS..Hα-helixtrans-61.1-42.4178.8-74.6179.4175.3-1650112.6L112 D113 T118 Q119 N120L112-K116 HydrophobicContact CG-CD 4.49Å; L112-K116 WeakPolarHBondContact O-CB 3.28Å; L112-K116 WeakPolarHBondContact O-CG 3.45Å; L112-K116 PolarHBondContact O-N 3.22Å; D113-K116 PolarHBondContact O-N 3.43Å; K116-T118 VanDerWaalsContact C-N 3.34Å; K116-Q119 PolarHBondContact O-N 3.48Å; K116-N120 VanDerWaalsContact O-CG 3.26Å; K116-N120 PolarHBondContact O-N 2.86Å; K116-N120 VanDerWaalsContact O-N 3.07Å; K116-N120 PolarHBondContact O-ND2 2.95Å
117Y89.5Confident90Very high61 Ų6158.3 Ų58.324%0.23927%0.274CS..Hα-helixtrans-61.7-43.5174.8177.9-104000111.8D113 V114 I115 N120 K121 E323 M324 P325D113-Y117 WeakPolarHBondContact O-CB 3.14Å; D113-Y117 PolarHBondContact O-N 3.35Å; V114-Y117 PolarHBondContact O-N 2.9Å; I115-Y117 PolarHBondContact O-N 2.85Å; Y117-N120 PolarHBondContact O-N 3.23Å; Y117-K121 HydrophobicContact CD1-CG 4.38Å; Y117-K121 HydrophobicContact CD2-CG 4.34Å; Y117-K121 HydrophobicContact CE1-CG 4.03Å; Y117-K121 HydrophobicContact CE2-CD 4.47Å; Y117-K121 HydrophobicContact CE2-CG 4.01Å; Y117-K121 WeakPolarHBondContact O-CB 3.46Å; Y117-K121 WeakPolarHBondContact O-CG 3.41Å; Y117-K121 PolarHBondContact O-N 3.42Å; Y117-K121 VanDerWaalsContact O-N 3.15Å; Y117-K121 WeakPolarHBondContact OH-CE 3.42Å; Y117-E323 PolarHBondContact OH-O 2.96Å; Y117-M324 HydrophobicContact CD1-CG 4.36Å; Y117-M324 HydrophobicContact CG-CG 4.32Å; Y117-P325 HydrophobicContact CD2-CG 3.75Å; Y117-P325 HydrophobicContact CE2-CG 4.09Å
118T90.3Very high90.5Very high19 Ų1954.5 Ų54.512%0.11726%0.257CS..Hα-helixtrans-63-45.8178.4-56.40000111.3V114 I115 K116 N120 K121 R122 I124 V128V114-T118 WeakPolarHBondContact O-CB 3.49Å; V114-T118 PolarHBondContact O-N 2.91Å; V114-T118 PolarHBondContact O-OG1 2.98Å; I115-T118 WeakPolarHBondContact O-CB 3.49Å; I115-T118 PolarHBondContact O-N 2.84Å; K116-T118 VanDerWaalsContact C-N 3.34Å; T118-N120 VanDerWaalsContact C-N 3.28Å; T118-N120 PolarHBondContact O-N 2.83Å; T118-K121 PolarHBondContact O-N 3.16Å; T118-R122 HydrophobicContact CG2-CG 4.04Å; T118-R122 PolarHBondContact O-N 3.43Å; T118-I124 HydrophobicContact CG2-CG2 4.05Å; T118-V128 HydrophobicContact CG2-CG1 4.17Å
119Q89.1Confident90.9Very high103 Ų10351.8 Ų51.848%0.48125%0.247SC..Hα-helixtrans-59.1-35.9176.2-174.8174.213.200112.8I115 K116 K121 I124I115-Q119 WeakPolarHBondContact O-CB 3.37Å; I115-Q119 PolarHBondContact O-N 3.17Å; K116-Q119 PolarHBondContact O-N 3.48Å; Q119-K121 VanDerWaalsContact C-N 3.33Å; Q119-I124 HydrophobicContact CB-CD1 3.9Å; Q119-I124 HydrophobicContact CB-CG1 4.42Å; Q119-I124 HydrophobicContact CB-CG2 4.5Å; Q119-I124 HydrophobicContact CG-CD1 3.67Å; Q119-I124 HydrophobicContact CG-CG1 4.12Å
120N89.5Confident91.2Very high130 Ų13054.9 Ų54.970%0.69526%0.262SS*.Hα-helixtrans-78.6-14.4176.4-69.2-18.4000113.7K116 Y117 T118K116-N120 VanDerWaalsContact O-CG 3.26Å; K116-N120 PolarHBondContact O-N 2.86Å; K116-N120 VanDerWaalsContact O-N 3.07Å; K116-N120 PolarHBondContact O-ND2 2.95Å; Y117-N120 PolarHBondContact O-N 3.23Å; T118-N120 VanDerWaalsContact C-N 3.28Å; T118-N120 PolarHBondContact O-N 2.83Å
121K87.7Confident91.4Very high147 Ų14755.3 Ų55.364%0.63926%0.263SS*.Hα-helixtrans-105.9-27.1-175.6-76.8-70-171.9177.10114.1Y117 T118 Q119Y117-K121 HydrophobicContact CD1-CG 4.38Å; Y117-K121 HydrophobicContact CD2-CG 4.34Å; Y117-K121 HydrophobicContact CE1-CG 4.03Å; Y117-K121 HydrophobicContact CE2-CD 4.47Å; Y117-K121 HydrophobicContact CE2-CG 4.01Å; Y117-K121 WeakPolarHBondContact O-CB 3.46Å; Y117-K121 WeakPolarHBondContact O-CG 3.41Å; Y117-K121 PolarHBondContact O-N 3.42Å; Y117-K121 VanDerWaalsContact O-N 3.15Å; Y117-K121 WeakPolarHBondContact OH-CE 3.42Å; T118-K121 PolarHBondContact O-N 3.16Å; Q119-K121 VanDerWaalsContact C-N 3.33Å
122R88.9Confident91.5Very high123 Ų12357.4 Ų57.446%0.46427%0.274SS..SBendtrans-151.7163.2178.163.9169.217693.3-7.1111.6T118 I124 G127 V128T118-R122 HydrophobicContact CG2-CG 4.04Å; T118-R122 PolarHBondContact O-N 3.43Å; R122-I124 PolarHBondContact O-N 2.94Å; R122-G127 PolarHBondContact NH1-O 2.82Å; R122-V128 PolarHBondContact NH2-O 3.31Å
123D88.8Confident91.7Very high107 Ų10755.7 Ų55.757%0.57227%0.265SS*.  trans-59.5133.8165.8-175.220.7000110.8T125D123-T125 WeakPolarHBondContact OD1-CB 3.36Å; D123-T125 PolarHBondContact OD1-N 3.07Å; D123-T125 PolarHBondContact OD1-OG1 3.26Å; D123-T125 WeakPolarHBondContact OD2-CB 3.36Å; D123-T125 PolarHBondContact OD2-OG1 3.25Å
124I90.3Very high92Very high22 Ų2254.1 Ų54.111%0.11326%0.257CS..  trans-115.56.7176.860.9159.5000112.1T118 Q119 R122 Y126 G127 V128T118-I124 HydrophobicContact CG2-CG2 4.05Å; Q119-I124 HydrophobicContact CB-CD1 3.9Å; Q119-I124 HydrophobicContact CB-CG1 4.42Å; Q119-I124 HydrophobicContact CB-CG2 4.5Å; Q119-I124 HydrophobicContact CG-CD1 3.67Å; Q119-I124 HydrophobicContact CG-CG1 4.12Å; R122-I124 PolarHBondContact O-N 2.94Å; I124-Y126 PolarHBondContact O-N 3.05Å; I124-Y126 VanDerWaalsContact O-N 3.09Å; I124-G127 PolarHBondContact O-N 3.02Å; I124-V128 HydrophobicContact CB-CG2 3.91Å; I124-V128 HydrophobicContact CD1-CG2 3.84Å; I124-V128 HydrophobicContact CG1-CG2 4.5Å; I124-V128 HydrophobicContact CG2-CG2 4.01Å
125T87.7Confident92.3Very high52 Ų5253.8 Ų53.832%0.31925%0.254SS..THydrogen-bonded Turntrans-49.6-39.2-178.5-64.30000112.5D123 Q270D123-T125 WeakPolarHBondContact OD1-CB 3.36Å; D123-T125 PolarHBondContact OD1-N 3.07Å; D123-T125 PolarHBondContact OD1-OG1 3.26Å; D123-T125 WeakPolarHBondContact OD2-CB 3.36Å; D123-T125 PolarHBondContact OD2-OG1 3.25Å; T125-Q270 HydrophobicContact CG2-CG 4.5Å; T125-Q270 WeakPolarHBondContact O-CG 3.14Å; T125-Q270 PolarHBondContact O-NE2 3.26Å
126Y90.6Very high92.6Very high142 Ų14253.7 Ų53.756%0.55725%0.254SS*.THydrogen-bonded Turntrans-100.39.9179.9-60-77.2000114.6I124 Q270I124-Y126 PolarHBondContact O-N 3.05Å; I124-Y126 VanDerWaalsContact O-N 3.09Å; Y126-Q270 WeakPolarHBondContact CD1-O 3.44Å
127G92Very high92.9Very high8 Ų850.5 Ų50.58%0.08224%0.24CC..  trans135.1143.9173.600000115.3R122 I124 A235 Y274R122-G127 PolarHBondContact NH1-O 2.82Å; I124-G127 PolarHBondContact O-N 3.02Å; G127-A235 CarbonylContact C-O 3.5Å; G127-A235 VanDerWaalsContact CA-O 3.32Å; G127-A235 WeakPolarHBondContact CA-O 3.41Å; G127-Y274 WeakPolarHBondContact CA-OH 3.5Å
128V94.1Very high93.4Very high3 Ų347.6 Ų47.62%0.01823%0.229CC..SBendtrans-83.7-66.9172.5-173.30000110.4I115 T118 R122 I124 A235I115-V128 HydrophobicContact CG1-CG1 4.09Å; T118-V128 HydrophobicContact CG2-CG1 4.17Å; R122-V128 PolarHBondContact NH2-O 3.31Å; I124-V128 HydrophobicContact CB-CG2 3.91Å; I124-V128 HydrophobicContact CD1-CG2 3.84Å; I124-V128 HydrophobicContact CG1-CG2 4.5Å; I124-V128 HydrophobicContact CG2-CG2 4.01Å; V128-A235 PolarHBondContact N-O 3.41Å
129F95.2Very high93.7Very high10 Ų1049.1 Ų49.14%0.04423%0.233CC..SBendtrans-107.6145.9177.5-60.3-58000112.4V114 I115 T133 I134 M234 Y274 V318 L319V114-F129 HydrophobicContact CB-CZ 4.18Å; V114-F129 HydrophobicContact CG1-CE1 4Å; V114-F129 HydrophobicContact CG1-CZ 3.69Å; I115-F129 HydrophobicContact CD1-CE2 4.37Å; I115-F129 HydrophobicContact CG1-CE2 3.76Å; I115-F129 HydrophobicContact CG1-CZ 4.25Å; F129-T133 HydrophobicContact CB-CG2 4.21Å; F129-T133 HydrophobicContact CD1-CG2 4.04Å; F129-T133 HydrophobicContact CG-CG2 4.23Å; F129-I134 HydrophobicContact CB-CD1 4.08Å; F129-I134 HydrophobicContact CB-CG1 3.57Å; F129-I134 WeakPolarHBondContact O-CD1 3.36Å; F129-M234 HydrophobicContact CD2-CB 4.09Å; F129-M234 HydrophobicContact CD2-CG 4.37Å; F129-M234 VanDerWaalsContact CD2-O 3.27Å; F129-M234 WeakPolarHBondContact CD2-O 3.42Å; F129-M234 PolarHBondContact N-O 3.48Å; F129-Y274 WeakPolarHBondContact O-CE1 3.39Å; F129-Y274 PolarHBondContact O-OH 2.82Å; F129-V318 HydrophobicContact CD1-CG1 4.48Å; F129-L319 HydrophobicContact CE1-CD2 3.9Å; F129-L319 HydrophobicContact CZ-CD2 4.12Å
130D94.7Very high94.1Very high71 Ų7144.5 Ų44.538%0.3821%0.211SC..  trans-75.3161.817590-56.6000111.6N132 T133 I134D130-N132 PolarHBondContact O-N 3.23Å; D130-N132 VanDerWaalsContact O-N 3.13Å; D130-N132 VanDerWaalsContact OD2-CB 3.26Å; D130-N132 WeakPolarHBondContact OD2-CB 3.22Å; D130-N132 PolarHBondContact OD2-N 3.4Å; D130-N132 VanDerWaalsContact OD2-N 3.1Å; D130-N132 PolarHBondContact OD2-ND2 3.03Å; D130-T133 PolarHBondContact O-N 3.06Å; D130-T133 VanDerWaalsContact O-N 3.16Å; D130-T133 WeakPolarHBondContact OD1-CB 3.42Å; D130-T133 PolarHBondContact OD1-N 3.15Å; D130-T133 PolarHBondContact OD1-OG1 2.55Å; D130-I134 WeakPolarHBondContact O-CG1 3.31Å; D130-I134 PolarHBondContact O-N 3.43Å
131E97.3Very high94.6Very high18 Ų1838.4 Ų38.48%0.08418%0.178CC..Hα-helixtrans-58-29.6-179.1-74.8-169140.400113.8A135 Y274 G275 F278 Y304 K308E131-A135 WeakPolarHBondContact O-CB 3.38Å; E131-A135 PolarHBondContact O-N 3.4Å; E131-Y274 HydrophobicContact CG-CD1 4Å; E131-G275 PolarHBondContact OE1-N 3.1Å; E131-F278 HydrophobicContact CG-CB 4.48Å; E131-F278 WeakPolarHBondContact OE1-CB 3.31Å; E131-Y304 WeakPolarHBondContact CA-OH 3.29Å; E131-Y304 HydrophobicContact CB-CE2 4.07Å; E131-Y304 HydrophobicContact CG-CE2 4.14Å; E131-Y304 PolarHBondContact O-OH 3.4Å; E131-K308 HydrophobicContact CB-CD 3.96Å; E131-K308 HydrophobicContact CB-CG 4.43Å; E131-K308 WeakPolarHBondContact OE2-CE 3.4Å; E131-K308 IonicContact OE2-NZ 3.95Å; E131-K308 PolarHBondContact OE2-NZ 3.43Å
132N97Very high95.1Very high43 Ų4331.4 Ų31.423%0.2315%0.148CC..Hα-helixtrans-72.1-44.9178.7-55.5-72000110.6D130 T136 K308 K310 L314D130-N132 PolarHBondContact O-N 3.23Å; D130-N132 VanDerWaalsContact O-N 3.13Å; D130-N132 VanDerWaalsContact OD2-CB 3.26Å; D130-N132 WeakPolarHBondContact OD2-CB 3.22Å; D130-N132 PolarHBondContact OD2-N 3.4Å; D130-N132 VanDerWaalsContact OD2-N 3.1Å; D130-N132 PolarHBondContact OD2-ND2 3.03Å; N132-T136 WeakPolarHBondContact O-CB 3.49Å; N132-T136 PolarHBondContact O-N 2.97Å; N132-T136 PolarHBondContact O-OG1 2.92Å; N132-K308 WeakPolarHBondContact CA-O 3.33Å; N132-K308 PolarHBondContact OD1-O 3.22Å; N132-K310 HydrophobicContact CB-CG 4.12Å; N132-K310 WeakPolarHBondContact OD1-CE 3.45Å; N132-L314 HydrophobicContact CB-CD2 3.86Å
133T96.8Very high95.5Very high2 Ų230.7 Ų30.71%0.01215%0.145CC..Hα-helixtrans-61.5-49.9175.7-57.80000110.6F129 D130 A135 T136 I137 L315 V318F129-T133 HydrophobicContact CB-CG2 4.21Å; F129-T133 HydrophobicContact CD1-CG2 4.04Å; F129-T133 HydrophobicContact CG-CG2 4.23Å; D130-T133 PolarHBondContact O-N 3.06Å; D130-T133 VanDerWaalsContact O-N 3.16Å; D130-T133 WeakPolarHBondContact OD1-CB 3.42Å; D130-T133 PolarHBondContact OD1-N 3.15Å; D130-T133 PolarHBondContact OD1-OG1 2.55Å; T133-A135 PolarHBondContact O-N 2.86Å; T133-T136 PolarHBondContact O-N 3.31Å; T133-T136 VanDerWaalsContact O-N 3.11Å; T133-I137 HydrophobicContact CG2-CD1 3.91Å; T133-I137 WeakPolarHBondContact O-CG1 3.3Å; T133-I137 PolarHBondContact O-N 3.22Å; T133-L315 HydrophobicContact CG2-CD2 4.21Å; T133-V318 HydrophobicContact CG2-CB 4.48Å; T133-V318 HydrophobicContact CG2-CG1 3.93Å
134I98Very high95.9Very high0 Ų025.6 Ų25.60%012%0.118CC..Hα-helixtrans-58.7-48.2179.2-64.7-179.9000111.4F129 D130 T136 I137 L138 T231 M234 A235 Y274 F278F129-I134 HydrophobicContact CB-CD1 4.08Å; F129-I134 HydrophobicContact CB-CG1 3.57Å; F129-I134 WeakPolarHBondContact O-CD1 3.36Å; D130-I134 WeakPolarHBondContact O-CG1 3.31Å; D130-I134 PolarHBondContact O-N 3.43Å; I134-T136 PolarHBondContact O-N 3.1Å; I134-I137 PolarHBondContact O-N 2.97Å; I134-L138 HydrophobicContact CG2-CD1 3.63Å; I134-L138 HydrophobicContact CG2-CG 4.17Å; I134-L138 WeakPolarHBondContact O-CB 3.24Å; I134-L138 VanDerWaalsContact O-CG 3.27Å; I134-L138 WeakPolarHBondContact O-CG 3.35Å; I134-L138 PolarHBondContact O-N 2.8Å; I134-T231 HydrophobicContact CG2-CG2 4.22Å; I134-M234 HydrophobicContact CD1-CB 4.11Å; I134-M234 HydrophobicContact CG1-CB 4.09Å; I134-M234 HydrophobicContact CG2-CE 4.16Å; I134-A235 HydrophobicContact CD1-CB 3.9Å; I134-Y274 HydrophobicContact CD1-CE1 3.9Å; I134-F278 HydrophobicContact CD1-CE2 4.12Å; I134-F278 HydrophobicContact CG2-CE2 4.26Å
135A98.2Very high96.2Very high0 Ų024.6 Ų24.60%011%0.113CC..Hα-helixtrans-64.1-30.6178.700000113.1E131 T133 R139 Y304 I305 K308 A309E131-A135 WeakPolarHBondContact O-CB 3.38Å; E131-A135 PolarHBondContact O-N 3.4Å; T133-A135 PolarHBondContact O-N 2.86Å; A135-R139 PolarHBondContact O-N 2.72Å; A135-R139 VanDerWaalsContact O-N 3.11Å; A135-Y304 HydrophobicContact CB-CD1 4.38Å; A135-Y304 HydrophobicContact CB-CE1 3.83Å; A135-Y304 HydrophobicContact CB-CE2 4.41Å; A135-I305 HydrophobicContact CB-CD1 4.48Å; A135-K308 HydrophobicContact CB-CB 3.45Å; A135-K308 VanDerWaalsContact CB-CB 3.45Å; A135-A309 HydrophobicContact CB-CB 4.2Å; A135-A309 WeakPolarHBondContact O-CB 3.18Å
136T97.8Very high96.6Very high0 Ų022.5 Ų22.50%010%0.101CC..Hα-helixtrans-73.6-43.9178.2-52.90000111.1N132 T133 I134 R139 A309 K310 D311 L315N132-T136 WeakPolarHBondContact O-CB 3.49Å; N132-T136 PolarHBondContact O-N 2.97Å; N132-T136 PolarHBondContact O-OG1 2.92Å; T133-T136 PolarHBondContact O-N 3.31Å; T133-T136 VanDerWaalsContact O-N 3.11Å; I134-T136 PolarHBondContact O-N 3.1Å; T136-R139 PolarHBondContact O-N 2.6Å; T136-A309 WeakPolarHBondContact OG1-CA 3.19Å; T136-K310 PolarHBondContact OG1-N 3.21Å; T136-D311 WeakPolarHBondContact CG2-O 3.34Å; T136-L315 HydrophobicContact CG2-CD1 3.91Å; T136-L315 HydrophobicContact CG2-CD2 3.86Å; T136-L315 HydrophobicContact CG2-CG 3.66Å
137I98.1Very high96.8Very high0 Ų018.5 Ų18.50%09%0.085CC..Hα-helixtrans-58.8-51.8170.7-68.6169.4000110.4L111 T133 I134 R139 D140 V141 I171 M234 L315 L319L111-I137 HydrophobicContact CD1-CD1 4.13Å; L111-I137 HydrophobicContact CD1-CG2 3.59Å; L111-I137 HydrophobicContact CD2-CD1 4.01Å; T133-I137 HydrophobicContact CG2-CD1 3.91Å; T133-I137 WeakPolarHBondContact O-CG1 3.3Å; T133-I137 PolarHBondContact O-N 3.22Å; I134-I137 PolarHBondContact O-N 2.97Å; I137-R139 VanDerWaalsContact C-N 3.26Å; I137-R139 PolarHBondContact O-N 3.37Å; I137-D140 PolarHBondContact O-N 3.45Å; I137-V141 HydrophobicContact CG2-CG2 4.11Å; I137-V141 WeakPolarHBondContact O-CG2 3.26Å; I137-V141 PolarHBondContact O-N 3.13Å; I137-I171 HydrophobicContact CB-CG1 4.4Å; I137-I171 HydrophobicContact CG1-CD1 4.29Å; I137-I171 HydrophobicContact CG1-CG1 4.17Å; I137-I171 HydrophobicContact CG2-CG1 4.18Å; I137-I171 HydrophobicContact CG2-CG2 4.38Å; I137-M234 HydrophobicContact CB-SD 4.19Å; I137-M234 HydrophobicContact CD1-SD 4.1Å; I137-M234 HydrophobicContact CG2-CE 4.31Å; I137-M234 HydrophobicContact CG2-SD 3.59Å; I137-M234 VanDerWaalsContact CG2-SD 3.59Å; I137-L315 HydrophobicContact CG1-CD2 3.77Å; I137-L319 HydrophobicContact CD1-CD1 4.45Å
138L98.5Very high96.8Very high0 Ų018.1 Ų18.10%08%0.081CC..Hα-helixtrans-60.9-32.4-177.4-76.1171.1000113.2I134 D140 V141 L142 L227 T231 M234 F281 Y304 I305I134-L138 HydrophobicContact CG2-CD1 3.63Å; I134-L138 HydrophobicContact CG2-CG 4.17Å; I134-L138 WeakPolarHBondContact O-CB 3.24Å; I134-L138 VanDerWaalsContact O-CG 3.27Å; I134-L138 WeakPolarHBondContact O-CG 3.35Å; I134-L138 PolarHBondContact O-N 2.8Å; L138-D140 VanDerWaalsContact C-N 3.27Å; L138-D140 PolarHBondContact O-N 2.97Å; L138-V141 PolarHBondContact O-N 3.27Å; L138-L142 WeakPolarHBondContact O-CB 3.16Å; L138-L142 WeakPolarHBondContact O-CD1 3.41Å; L138-L142 WeakPolarHBondContact O-CG 3.17Å; L138-L142 PolarHBondContact O-N 2.85Å; L138-L227 HydrophobicContact CD2-CD1 3.65Å; L138-L227 HydrophobicContact CD2-CG 4.22Å; L138-T231 HydrophobicContact CD1-CG2 3.89Å; L138-T231 WeakPolarHBondContact CD2-OG1 3.46Å; L138-M234 HydrophobicContact CD1-CE 4.49Å; L138-M234 HydrophobicContact CD2-CE 3.65Å; L138-M234 HydrophobicContact CG-CE 3.82Å; L138-F281 HydrophobicContact CD1-CD1 4.29Å; L138-F281 HydrophobicContact CD1-CE1 3.62Å; L138-F281 HydrophobicContact CD1-CZ 3.97Å; L138-F281 HydrophobicContact CD2-CE1 4.39Å; L138-F281 HydrophobicContact CD2-CZ 4.5Å; L138-Y304 HydrophobicContact CD1-CE1 3.97Å; L138-I305 HydrophobicContact CB-CD1 3.67Å; L138-I305 HydrophobicContact CD1-CD1 4.26Å
139R98.1Very high96.7Very high51 Ų5119.1 Ų19.119%0.1929%0.086CC..Hα-helixtrans-59.9-41.1175.1-177.5-176.362.2-147.6-8.2111.6A135 T136 I137 R143 L300 I305 A309 K310A135-R139 PolarHBondContact O-N 2.72Å; A135-R139 VanDerWaalsContact O-N 3.11Å; T136-R139 PolarHBondContact O-N 2.6Å; I137-R139 VanDerWaalsContact C-N 3.26Å; I137-R139 PolarHBondContact O-N 3.37Å; R139-R143 WeakPolarHBondContact O-CD 3.28Å; R139-R143 VanDerWaalsContact O-CG 3.28Å; R139-R143 WeakPolarHBondContact O-CG 3.45Å; R139-R143 PolarHBondContact O-N 2.94Å; R139-R143 VanDerWaalsContact O-N 3.13Å; R139-L300 HydrophobicContact CG-CD2 4.29Å; R139-L300 WeakPolarHBondContact O-CD2 3.2Å; R139-I305 HydrophobicContact CB-CG2 4.02Å; R139-I305 HydrophobicContact CG-CG2 4.25Å; R139-A309 HydrophobicContact CB-CB 4.42Å; R139-K310 VanDerWaalsContact CZ-O 3.22Å; R139-K310 PolarHBondContact NH1-O 3Å; R139-K310 PolarHBondContact NH2-O 3.03Å
140D97.6Very high96.5Very high6 Ų623.8 Ų23.83%0.03211%0.107CC..Hα-helixtrans-74-45.2180-81.716.4000110.8N85 I137 L138 L142 R143 G144 I171N85-D140 WeakPolarHBondContact CB-O 3.44Å; N85-D140 VanDerWaalsContact CG-O 3.27Å; N85-D140 VanDerWaalsContact ND2-CB 3.26Å; N85-D140 WeakPolarHBondContact ND2-CB 3.2Å; N85-D140 VanDerWaalsContact ND2-CG 3.3Å; N85-D140 PolarHBondContact ND2-OD2 3.04Å; N85-D140 PolarHBondContact OD1-O 3.01Å; I137-D140 PolarHBondContact O-N 3.45Å; L138-D140 VanDerWaalsContact C-N 3.27Å; L138-D140 PolarHBondContact O-N 2.97Å; D140-L142 VanDerWaalsContact C-N 3.31Å; D140-L142 PolarHBondContact O-N 2.93Å; D140-R143 WeakPolarHBondContact O-CB 3.35Å; D140-R143 PolarHBondContact O-N 3.11Å; D140-R143 VanDerWaalsContact O-N 3.15Å; D140-R143 IonicContact OD1-NH1 2.82Å; D140-R143 PolarHBondContact OD1-NH1 3.16Å; D140-G144 PolarHBondContact O-N 3.43Å; D140-G144 VanDerWaalsContact O-N 3.1Å; D140-I171 HydrophobicContact CB-CB 4.1Å
141V98.3Very high96.1Very high1 Ų124.4 Ų24.41%0.00611%0.111CC..Hα-helixtrans-57.1-44.2172.4-178.80000111.4I137 L138 R143 G144 L145 L158 L163 I171 I173 L227I137-V141 HydrophobicContact CG2-CG2 4.11Å; I137-V141 WeakPolarHBondContact O-CG2 3.26Å; I137-V141 PolarHBondContact O-N 3.13Å; L138-V141 PolarHBondContact O-N 3.27Å; V141-R143 VanDerWaalsContact C-N 3.34Å; V141-R143 PolarHBondContact O-N 3.4Å; V141-G144 PolarHBondContact O-N 2.95Å; V141-L145 VanDerWaalsContact O-CB 3.23Å; V141-L145 WeakPolarHBondContact O-CB 3.36Å; V141-L145 PolarHBondContact O-N 2.67Å; V141-L158 HydrophobicContact CG1-CD1 4.42Å; V141-L163 HydrophobicContact CG1-CD2 4.08Å; V141-L163 HydrophobicContact CG2-CD1 3.69Å; V141-L163 HydrophobicContact CG2-CD2 3.78Å; V141-L163 HydrophobicContact CG2-CG 4.34Å; V141-I171 HydrophobicContact CG2-CG2 3.99Å; V141-I173 HydrophobicContact CG1-CD1 4.17Å; V141-I173 HydrophobicContact CG1-CG1 4.4Å; V141-I173 WeakPolarHBondContact O-CD1 3.39Å; V141-L227 HydrophobicContact CB-CD1 4.45Å; V141-L227 HydrophobicContact CG1-CD1 3.65Å
142L98.4Very high95.4Very high0 Ų026.7 Ų26.70%014%0.139CC..Hα-helixtrans-67.4-30.4179.3-77168000113.2L138 D140 A146 L227 F281 A296 L299 L300 I305L138-L142 WeakPolarHBondContact O-CB 3.16Å; L138-L142 WeakPolarHBondContact O-CD1 3.41Å; L138-L142 WeakPolarHBondContact O-CG 3.17Å; L138-L142 PolarHBondContact O-N 2.85Å; D140-L142 VanDerWaalsContact C-N 3.31Å; D140-L142 PolarHBondContact O-N 2.93Å; L142-A146 WeakPolarHBondContact O-CB 3.27Å; L142-A146 PolarHBondContact O-N 3.22Å; L142-L227 HydrophobicContact CD2-CD2 3.42Å; L142-L227 VanDerWaalsContact CD2-CD2 3.42Å; L142-L227 HydrophobicContact CG-CD2 4.1Å; L142-F281 HydrophobicContact CD1-CE2 4.13Å; L142-F281 HydrophobicContact CD1-CZ 4.11Å; L142-A296 HydrophobicContact CD2-CB 4.03Å; L142-L299 HydrophobicContact CD1-CB 3.92Å; L142-L299 HydrophobicContact CD2-CB 3.61Å; L142-L299 HydrophobicContact CD2-CD1 4.05Å; L142-L299 HydrophobicContact CD2-CG 4.5Å; L142-L299 HydrophobicContact CG-CB 4.44Å; L142-L300 HydrophobicContact CB-CD2 3.42Å; L142-L300 VanDerWaalsContact CB-CD2 3.42Å; L142-L300 HydrophobicContact CB-CG 3.76Å; L142-L300 HydrophobicContact CD1-CD2 4.28Å; L142-I305 HydrophobicContact CD1-CD1 4.08Å; L142-I305 HydrophobicContact CD1-CG1 4Å
143R97.7Very high94.8Very high109 Ų10926.6 Ų26.641%0.41114%0.139SC..Hα-helixtrans-67.3-46.4172.9-78161.3168.6176.6-14.9111.5N85 R139 D140 V141 Y147 L300N85-R143 VanDerWaalsContact OD1-CB 3.31Å; N85-R143 WeakPolarHBondContact OD1-CB 3.48Å; N85-R143 WeakPolarHBondContact OD1-CD 3.3Å; R139-R143 WeakPolarHBondContact O-CD 3.28Å; R139-R143 VanDerWaalsContact O-CG 3.28Å; R139-R143 WeakPolarHBondContact O-CG 3.45Å; R139-R143 PolarHBondContact O-N 2.94Å; R139-R143 VanDerWaalsContact O-N 3.13Å; D140-R143 WeakPolarHBondContact O-CB 3.35Å; D140-R143 PolarHBondContact O-N 3.11Å; D140-R143 VanDerWaalsContact O-N 3.15Å; D140-R143 IonicContact OD1-NH1 2.82Å; D140-R143 PolarHBondContact OD1-NH1 3.16Å; V141-R143 VanDerWaalsContact C-N 3.34Å; V141-R143 PolarHBondContact O-N 3.4Å; R143-Y147 PolarHBondContact O-N 2.64Å; R143-L300 HydrophobicContact CG-CD1 4.37Å; R143-L300 HydrophobicContact CG-CD2 4.12Å
144G96.7Very high94.2Very high0 Ų027.6 Ų27.60%015%0.145CC..Hα-helixtrans-62.9-48.7174.900000111.3D140 V141 A146 Y147 I148D140-G144 PolarHBondContact O-N 3.43Å; D140-G144 VanDerWaalsContact O-N 3.1Å; V141-G144 PolarHBondContact O-N 2.95Å; G144-A146 PolarHBondContact O-N 3.22Å; G144-Y147 WeakPolarHBondContact O-CB 3.2Å; G144-Y147 PolarHBondContact O-N 2.86Å; G144-Y147 VanDerWaalsContact O-N 3.17Å; G144-I148 WeakPolarHBondContact O-CG1 3.47Å; G144-I148 PolarHBondContact O-N 2.88Å
145L96.3Very high93.7Very high0 Ų027.6 Ų27.60%015%0.145CC..Hα-helixtrans-65.8-39.8-177.7-167.565.6000112.7V141 Y147 I148 H149 H155 L158 I173 D223 I224 L227 A296V141-L145 VanDerWaalsContact O-CB 3.23Å; V141-L145 WeakPolarHBondContact O-CB 3.36Å; V141-L145 PolarHBondContact O-N 2.67Å; L145-Y147 VanDerWaalsContact C-N 3.31Å; L145-Y147 PolarHBondContact O-N 3.1Å; L145-I148 PolarHBondContact O-N 3.36Å; L145-H149 WeakPolarHBondContact CD1-NE2 3.41Å; L145-H149 WeakPolarHBondContact O-CB 3.34Å; L145-H149 PolarHBondContact O-CD2 3.3Å; L145-H149 PolarHBondContact O-N 2.86Å; L145-H155 HydrophobicContact CD1-CB 4.23Å; L145-L158 HydrophobicContact CD1-CD2 4.47Å; L145-L158 HydrophobicContact CD2-CD2 3.99Å; L145-I173 HydrophobicContact CB-CD1 4.14Å; L145-D223 HydrophobicContact CD1-CB 3.9Å; L145-D223 HydrophobicContact CD2-CB 4.17Å; L145-I224 HydrophobicContact CD2-CD1 4.02Å; L145-L227 HydrophobicContact CD2-CD2 4.49Å; L145-A296 HydrophobicContact CB-CB 4.24Å; L145-A296 HydrophobicContact CD2-CB 4.29Å; L145-A296 HydrophobicContact CG-CB 4.22Å
146A96.5Very high93Very high8 Ų831.7 Ų31.77%0.06616%0.16CC..Hα-helixtrans-59.7-42.1172.800000111.6L142 G144 H149 E150 A296L142-A146 WeakPolarHBondContact O-CB 3.27Å; L142-A146 PolarHBondContact O-N 3.22Å; G144-A146 PolarHBondContact O-N 3.22Å; A146-H149 PolarHBondContact O-N 3.14Å; A146-E150 VanDerWaalsContact O-CB 3.29Å; A146-E150 WeakPolarHBondContact O-CB 3.46Å; A146-E150 VanDerWaalsContact O-CG 3.22Å; A146-E150 WeakPolarHBondContact O-CG 3.27Å; A146-E150 PolarHBondContact O-N 3.08Å; A146-A296 HydrophobicContact CB-CB 3.93Å
147Y94.9Very high92.3Very high59 Ų5933 Ų3323%0.23117%0.167CC..Hα-helixtrans-66.7-37.3176.7-177.9-95.6000112.7M81 K82 N83 I86 R143 G144 L145 N151M81-Y147 HydrophobicContact CB-CE1 4.13Å; M81-Y147 HydrophobicContact CE-CD1 3.48Å; M81-Y147 VanDerWaalsContact CE-CD1 3.48Å; M81-Y147 HydrophobicContact CE-CE1 3.47Å; M81-Y147 VanDerWaalsContact CE-CE1 3.47Å; M81-Y147 HydrophobicContact SD-CD1 4.48Å; M81-Y147 HydrophobicContact SD-CE1 3.87Å; K82-Y147 PolarHBondContact N-OH 3.34Å; N83-Y147 HydrophobicContact CB-CD1 3.77Å; N83-Y147 HydrophobicContact CB-CE1 4.05Å; N83-Y147 HydrophobicContact CB-CG 4.1Å; N83-Y147 WeakPolarHBondContact ND2-CB 3.39Å; I86-Y147 HydrophobicContact CD1-CD1 3.65Å; I86-Y147 HydrophobicContact CD1-CE1 4.38Å; R143-Y147 PolarHBondContact O-N 2.64Å; G144-Y147 WeakPolarHBondContact O-CB 3.2Å; G144-Y147 PolarHBondContact O-N 2.86Å; G144-Y147 VanDerWaalsContact O-N 3.17Å; L145-Y147 VanDerWaalsContact C-N 3.31Å; L145-Y147 PolarHBondContact O-N 3.1Å; Y147-N151 PolarHBondContact O-N 2.94Å; Y147-N151 PolarHBondContact O-ND2 3.46Å
148I91.9Very high92.1Very high0 Ų033 Ų330%017%0.167CC..Hα-helixtrans-59.6-49.6171.5-66.4170.8000110.1M81 I86 G144 L145 N151 L153 I173 F176M81-I148 HydrophobicContact CE-CG1 4.14Å; I86-I148 HydrophobicContact CD1-CD1 4.07Å; I86-I148 HydrophobicContact CD1-CG1 3.62Å; I86-I148 HydrophobicContact CG1-CD1 4.48Å; G144-I148 WeakPolarHBondContact O-CG1 3.47Å; G144-I148 PolarHBondContact O-N 2.88Å; L145-I148 PolarHBondContact O-N 3.36Å; I148-N151 PolarHBondContact O-N 3.31Å; I148-L153 HydrophobicContact CG2-CB 3.7Å; I148-L153 PolarHBondContact O-N 3.11Å; I148-I173 HydrophobicContact CD1-CD1 4.33Å; I148-I173 HydrophobicContact CD1-CG2 4.34Å; I148-F176 HydrophobicContact CD1-CG 4.43Å
149H91.9Very high91.8Very high23 Ų2334 Ų3411%0.10617%0.172CC..Hα-helixtrans-68.5-36.8-177.3-65.2-177.2000113.1L145 A146 N151 G152 Q220 D223L145-H149 WeakPolarHBondContact CD1-NE2 3.41Å; L145-H149 WeakPolarHBondContact O-CB 3.34Å; L145-H149 PolarHBondContact O-CD2 3.3Å; L145-H149 PolarHBondContact O-N 2.86Å; A146-H149 PolarHBondContact O-N 3.14Å; H149-N151 VanDerWaalsContact C-N 3.25Å; H149-N151 PolarHBondContact O-N 2.83Å; H149-G152 PolarHBondContact O-N 2.78Å; H149-Q220 HydrophobicContact CB-CB 4.28Å; H149-Q220 HydrophobicContact CB-CG 4.24Å; H149-Q220 PolarHBondContact CE1-O 3.03Å; H149-Q220 PolarHBondContact NE2-O 3.04Å; H149-D223 IonicContact CD2-OD2 3.76Å; H149-D223 IonicContact CE1-OD2 2.93Å; H149-D223 IonicContact NE2-OD2 2.63Å; H149-D223 PolarHBondContact NE2-OD2 3.24Å
150E91.9Very high91.7Very high108 Ų10831.6 Ų31.651%0.50516%0.163SC..Hα-helixtrans-66.7-25.4175.6-76.4171.9-174.100112.5A146 G152 R297A146-E150 VanDerWaalsContact O-CB 3.29Å; A146-E150 WeakPolarHBondContact O-CB 3.46Å; A146-E150 VanDerWaalsContact O-CG 3.22Å; A146-E150 WeakPolarHBondContact O-CG 3.27Å; A146-E150 PolarHBondContact O-N 3.08Å; E150-G152 VanDerWaalsContact C-N 3.3Å; E150-R297 WeakPolarHBondContact OE1-CD 3.02Å; E150-R297 IonicContact OE1-CZ 3.91Å; E150-R297 IonicContact OE1-NE 3.75Å; E150-R297 IonicContact OE1-NH1 3.6Å; E150-R297 PolarHBondContact OE1-NH1 3.07Å; E150-R297 IonicContact OE2-NH1 2.72Å
151N86.8Confident91.4Very high85 Ų8532.2 Ų32.246%0.45517%0.17SC..THydrogen-bonded Turntrans-87.88.6171-74.4-87.7000113.2M81 Y147 I148 H149 L153M81-N151 HydrophobicContact CE-CB 4.06Å; M81-N151 HydrophobicContact SD-CB 4.06Å; Y147-N151 PolarHBondContact O-N 2.94Å; Y147-N151 PolarHBondContact O-ND2 3.46Å; I148-N151 PolarHBondContact O-N 3.31Å; H149-N151 VanDerWaalsContact C-N 3.25Å; H149-N151 PolarHBondContact O-N 2.83Å; N151-L153 VanDerWaalsContact C-N 3.28Å; N151-L153 PolarHBondContact O-N 3.35Å
152G83Confident91.1Very high66 Ų6633 Ų3368%0.6817%0.174SC*.THydrogen-bonded Turntrans74.313.3178.900000114.9H149 E150H149-G152 PolarHBondContact O-N 2.78Å; E150-G152 VanDerWaalsContact C-N 3.3Å
153L83.7Confident91Very high41 Ų4133 Ų3322%0.21517%0.174CC..  trans-95.8163.1180-59.6177.4000111.5M81 I148 N151 F176M81-L153 HydrophobicContact CE-CD1 4Å; M81-L153 HydrophobicContact CG-CD1 4.36Å; M81-L153 HydrophobicContact SD-CD1 3.91Å; I148-L153 HydrophobicContact CG2-CB 3.7Å; I148-L153 PolarHBondContact O-N 3.11Å; N151-L153 VanDerWaalsContact C-N 3.28Å; N151-L153 PolarHBondContact O-N 3.35Å; L153-F176 HydrophobicContact CD1-CE2 4.48Å
154V83.8Confident90.9Very high23 Ų2329.6 Ų29.614%0.13916%0.164CC..  trans-133.4134.3177.9-173.50000108.6R156 Y218 Q220 D223V154-R156 HydrophobicContact CB-CG 4.33Å; V154-R156 HydrophobicContact CG1-CG 4.02Å; V154-Y218 HydrophobicContact CB-CE2 4.47Å; V154-Y218 HydrophobicContact CG1-CD2 4.17Å; V154-Y218 HydrophobicContact CG1-CE2 3.99Å; V154-Q220 HydrophobicContact CG2-CB 4.21Å; V154-D223 WeakPolarHBondContact CG1-OD1 3.47Å; V154-D223 WeakPolarHBondContact CG1-OD2 3.36Å
155H86.9Confident90.7Very high0 Ų029.7 Ų29.70%017%0.165CC..  trans-73.6-42.8-174.9-174.1-78.2000113.4L145 D157 L158 I173 A174 F176 D223L145-H155 HydrophobicContact CD1-CB 4.23Å; H155-D157 VanDerWaalsContact CE1-C 3.45Å; H155-D157 PolarHBondContact CE1-O 3.19Å; H155-D157 VanDerWaalsContact CE1-O 3.24Å; H155-D157 VanDerWaalsContact ND1-C 3.25Å; H155-D157 PolarHBondContact ND1-N 3.03Å; H155-D157 PolarHBondContact O-N 3.09Å; H155-L158 PolarHBondContact ND1-N 3.1Å; H155-I173 WeakPolarHBondContact CD2-CG2 3.36Å; H155-I173 WeakPolarHBondContact NE2-CG2 3.33Å; H155-A174 PolarHBondContact NE2-O 2.79Å; H155-A174 VanDerWaalsContact NE2-O 3.09Å; H155-F176 WeakPolarHBondContact CD2-CB 3.23Å; H155-D223 WeakPolarHBondContact CB-OD1 3.45Å; H155-D223 WeakPolarHBondContact CB-OD2 3.49Å; H155-D223 PolarHBondContact N-OD1 2.81Å; H155-D223 PolarHBondContact N-OD2 2.9Å
156R83.3Confident90.5Very high85 Ų8531 Ų3132%0.32117%0.17SC..SBendtrans73.2-30.6175.5-51.7162.3-175.9-148.31.8116.5V154 G180 T184 Y218 D223V154-R156 HydrophobicContact CB-CG 4.33Å; V154-R156 HydrophobicContact CG1-CG 4.02Å; R156-G180 PolarHBondContact NH1-O 3.17Å; R156-T184 PolarHBondContact NH1-OG1 3.26Å; R156-Y218 WeakPolarHBondContact CD-OH 3.39Å; R156-Y218 HydrophobicContact CG-CE2 3.77Å; R156-Y218 WeakPolarHBondContact CG-OH 3.46Å; R156-Y218 PolarHBondContact NE-OH 3.31Å; R156-Y218 PolarHBondContact NH1-OH 3.46Å; R156-Y218 VanDerWaalsContact NH1-OH 3.11Å; R156-D223 PolarHBondContact N-OD1 3.22Å
157D84.8Confident90.1Very high28 Ų2834.5 Ų34.515%0.1519%0.188CC..  trans-126.750.6-179.3-167.235.2000113.4H155 K159 N162H155-D157 VanDerWaalsContact CE1-C 3.45Å; H155-D157 PolarHBondContact CE1-O 3.19Å; H155-D157 VanDerWaalsContact CE1-O 3.24Å; H155-D157 VanDerWaalsContact ND1-C 3.25Å; H155-D157 PolarHBondContact ND1-N 3.03Å; H155-D157 PolarHBondContact O-N 3.09Å; D157-K159 PolarHBondContact O-N 2.9Å; D157-K159 WeakPolarHBondContact OD1-CE 3.14Å; D157-K159 IonicContact OD1-NZ 2.72Å; D157-K159 PolarHBondContact OD1-NZ 2.81Å; D157-K159 VanDerWaalsContact OD2-CE 3.32Å; D157-K159 WeakPolarHBondContact OD2-CE 3.4Å; D157-K159 IonicContact OD2-NZ 3.54Å; D157-K159 PolarHBondContact OD2-NZ 3.09Å; D157-N162 PolarHBondContact O-ND2 3.29Å; D157-N162 PolarHBondContact OD2-ND2 3.23Å
158L92.7Very high89.9Confident0 Ų034.2 Ų34.20%019%0.191CC..  trans-82.2116-175.7-16872000111.6V141 L145 H155 L163 I173 S226 L227 T230V141-L158 HydrophobicContact CG1-CD1 4.42Å; L145-L158 HydrophobicContact CD1-CD2 4.47Å; L145-L158 HydrophobicContact CD2-CD2 3.99Å; H155-L158 PolarHBondContact ND1-N 3.1Å; L158-L163 HydrophobicContact CD1-CD2 4.08Å; L158-I173 HydrophobicContact CD1-CG2 4.28Å; L158-S226 WeakPolarHBondContact O-CB 3.13Å; L158-L227 HydrophobicContact CD2-CB 3.86Å; L158-L227 HydrophobicContact CD2-CD1 4Å; L158-T230 PolarHBondContact O-OG1 2.77Å
159K93.2Very high89.8Confident22 Ų2234.2 Ų34.210%0.09619%0.191CC..SBendtrans-160.6164.7-177.762.9-161.8178.1-1540111.2D157 G161 N162 L163 T203 W206 T230D157-K159 PolarHBondContact O-N 2.9Å; D157-K159 WeakPolarHBondContact OD1-CE 3.14Å; D157-K159 IonicContact OD1-NZ 2.72Å; D157-K159 PolarHBondContact OD1-NZ 2.81Å; D157-K159 VanDerWaalsContact OD2-CE 3.32Å; D157-K159 WeakPolarHBondContact OD2-CE 3.4Å; D157-K159 IonicContact OD2-NZ 3.54Å; D157-K159 PolarHBondContact OD2-NZ 3.09Å; K159-G161 PolarHBondContact O-N 3.4Å; K159-G161 VanDerWaalsContact O-N 3.09Å; K159-N162 HydrophobicContact CG-CB 4.41Å; K159-N162 PolarHBondContact O-N 2.99Å; K159-L163 PolarHBondContact O-N 2.94Å; K159-T203 PolarHBondContact NZ-OG1 3.43Å; K159-W206 HydrophobicContact CB-CD2 4.09Å; K159-W206 HydrophobicContact CB-CG 4.03Å; K159-W206 HydrophobicContact CB-CZ2 4.34Å; K159-W206 VanDerWaalsContact CB-NE1 3.34Å; K159-T230 WeakPolarHBondContact CA-OG1 3.4Å
160C94.7Very high89.9Confident0 Ų033.6 Ų33.60%019%0.188CC..G310 helixtrans-59.5-26.5-178.6-66.50000113.8L111 L112 I115 N162 L163 E233 M234L111-C160 HydrophobicContact CB-CB 3.98Å; L111-C160 PolarHBondContact N-O 3.13Å; L112-C160 HydrophobicContact CB-CB 4.25Å; L112-C160 PolarHBondContact N-O 3.1Å; I115-C160 HydrophobicContact CD1-CB 3.99Å; C160-N162 VanDerWaalsContact C-N 3.25Å; C160-N162 PolarHBondContact O-N 2.98Å; C160-L163 PolarHBondContact O-N 3.44Å; C160-E233 VanDerWaalsContact CB-CD 3.44Å; C160-E233 HydrophobicContact CB-CG 4.27Å; C160-E233 WeakPolarHBondContact CB-OE1 3.22Å; C160-E233 WeakPolarHBondContact CB-OE2 3.11Å; C160-E233 PolarHBondContact N-OE2 2.65Å; C160-E233 PolarHBondContact SG-OE2 2.7Å; C160-M234 WeakPolarHBondContact SG-CG 3.35Å
161G91.2Very high90.1Very high19 Ų1928.5 Ų28.520%0.19616%0.164CC..G310 helixtrans-65.3-23.3173.800000114.8S110 K159S110-G161 VanDerWaalsContact CB-O 3.27Å; S110-G161 WeakPolarHBondContact CB-O 3.42Å; K159-G161 PolarHBondContact O-N 3.4Å; K159-G161 VanDerWaalsContact O-N 3.09Å
162N93.1Very high90.6Very high16 Ų1624.7 Ų24.79%0.08614%0.143CC..G310 helixtrans-10711.1179.5-65.4-5.6000112.2D157 K159 C160 A174D157-N162 PolarHBondContact O-ND2 3.29Å; D157-N162 PolarHBondContact OD2-ND2 3.23Å; K159-N162 HydrophobicContact CG-CB 4.41Å; K159-N162 PolarHBondContact O-N 2.99Å; C160-N162 VanDerWaalsContact C-N 3.25Å; C160-N162 PolarHBondContact O-N 2.98Å; N162-A174 PolarHBondContact O-N 3.24Å
163L95.8Very high91.1Very high0 Ų021.5 Ų21.50%011%0.111CC..EExtended strand (participates in β ladder)trans-106.7103.7171.9-64.2-176.8000108.5S110 L111 V141 L158 K159 C160 I171 I173 T230S110-L163 CarbonylContact C-O 3.57Å; S110-L163 VanDerWaalsContact CA-O 3.3Å; S110-L163 WeakPolarHBondContact CA-O 3.19Å; L111-L163 HydrophobicContact CB-CB 4.47Å; L111-L163 HydrophobicContact CD1-CB 3.77Å; L111-L163 HydrophobicContact CD1-CD1 3.92Å; L111-L163 HydrophobicContact CG-CB 4.16Å; L111-L163 PolarHBondContact N-O 3.48Å; V141-L163 HydrophobicContact CG1-CD2 4.08Å; V141-L163 HydrophobicContact CG2-CD1 3.69Å; V141-L163 HydrophobicContact CG2-CD2 3.78Å; V141-L163 HydrophobicContact CG2-CG 4.34Å; L158-L163 HydrophobicContact CD1-CD2 4.08Å; K159-L163 PolarHBondContact O-N 2.94Å; C160-L163 PolarHBondContact O-N 3.44Å; L163-I171 HydrophobicContact CB-CG2 4.25Å; L163-I173 HydrophobicContact CD2-CG1 3.91Å; L163-T230 HydrophobicContact CD1-CG2 3.85Å
164L94.8Very high91.5Very high39 Ų3919.9 Ų19.920%0.20410%0.103CC..EExtended strand (participates in β ladder)trans-93.8148.6-175.2-54.2-174.3000112V87 C106 G109 I171 Q172 A174V87-L164 HydrophobicContact CG2-CD1 4.13Å; C106-L164 HydrophobicContact CB-CB 3.52Å; C106-L164 HydrophobicContact CB-CD1 3.9Å; C106-L164 HydrophobicContact CB-CG 4.34Å; G109-L164 VanDerWaalsContact O-CA 3.28Å; G109-L164 WeakPolarHBondContact O-CA 3.5Å; L164-I171 WeakPolarHBondContact O-CA 3.12Å; L164-Q172 PolarHBondContact N-O 3.06Å; L164-Q172 PolarHBondContact O-N 3.07Å; L164-A174 HydrophobicContact CD1-CB 3.63Å; L164-A174 HydrophobicContact CG-CB 3.74Å
165V93.4Very high91.2Very high1 Ų120.6 Ų20.61%0.00611%0.106CC..EExtended strand (participates in β ladder)trans-108.4123.4-178.5-172.10000109.6R108 G109 L111 V114 I171 L319 L320R108-V165 HydrophobicContact CB-CB 4.06Å; R108-V165 HydrophobicContact CB-CG1 4.24Å; R108-V165 PolarHBondContact N-O 2.92Å; G109-V165 PolarHBondContact O-N 3.36Å; L111-V165 HydrophobicContact CD2-CG2 3.65Å; L111-V165 HydrophobicContact CG-CG2 4.12Å; V114-V165 HydrophobicContact CG2-CG2 4.47Å; V165-I171 HydrophobicContact CG1-CD1 4.42Å; V165-I171 HydrophobicContact CG2-CD1 3.95Å; V165-L319 HydrophobicContact CG1-CB 4.31Å; V165-L319 HydrophobicContact CG1-CD1 4.11Å; V165-L319 HydrophobicContact CG2-CD1 4.33Å; V165-L320 HydrophobicContact CG1-CD2 4Å
166K91.4Very high90.4Very high28 Ų2820.8 Ų20.812%0.12211%0.107CC..  trans-79157.2171.1-81-175.5158166.70111.8D104 D168 G169 I170 Q172D104-K166 IonicContact OD1-NZ 3.35Å; D104-K166 IonicContact OD2-NZ 3.52Å; D104-K166 PolarHBondContact OD2-NZ 2.85Å; K166-D168 WeakPolarHBondContact CB-OD1 3.19Å; K166-D168 PolarHBondContact O-N 3.23Å; K166-D168 VanDerWaalsContact O-N 3.14Å; K166-G169 PolarHBondContact O-N 3.11Å; K166-G169 VanDerWaalsContact O-N 3.12Å; K166-I170 HydrophobicContact CB-CB 4.26Å; K166-I170 HydrophobicContact CD-CB 4.39Å; K166-I170 PolarHBondContact N-O 3.5Å; K166-Q172 HydrophobicContact CD-CG 4.21Å; K166-Q172 VanDerWaalsContact CE-CD 3.44Å; K166-Q172 HydrophobicContact CG-CG 4.49Å; K166-Q172 VanDerWaalsContact NZ-CD 3.29Å; K166-Q172 VanDerWaalsContact NZ-OE1 3.16Å
167D89Confident89.3Confident82 Ų8216.8 Ų16.844%0.4399%0.092SC..THydrogen-bonded Turntrans-55.7-24.6174.761-22000114Q107 L320Q107-D167 HydrophobicContact CB-CB 4.34Å; Q107-D167 VanDerWaalsContact CD-CG 3.44Å; Q107-D167 HydrophobicContact CG-CB 4.25Å; Q107-D167 PolarHBondContact NE2-OD1 2.88Å; Q107-D167 PolarHBondContact NE2-OD2 3.24Å; Q107-D167 VanDerWaalsContact NE2-OD2 3.08Å; Q107-D167 PolarHBondContact OE1-OD1 3.46Å; D167-L320 VanDerWaalsContact O-CD1 3.27Å; D167-L320 WeakPolarHBondContact O-CD1 3.38Å
168D89.8Confident88Confident53 Ų5315.8 Ų15.828%0.2839%0.087SC..THydrogen-bonded Turntrans-96.42.8-177.680.2-15.3000114.4K166 I170 R312 C316K166-D168 WeakPolarHBondContact CB-OD1 3.19Å; K166-D168 PolarHBondContact O-N 3.23Å; K166-D168 VanDerWaalsContact O-N 3.14Å; D168-I170 WeakPolarHBondContact OD1-CB 3.36Å; D168-I170 WeakPolarHBondContact OD1-CD1 3.46Å; D168-I170 VanDerWaalsContact OD1-CG1 3.28Å; D168-I170 WeakPolarHBondContact OD1-CG1 3.23Å; D168-I170 PolarHBondContact OD1-N 3.23Å; D168-I170 VanDerWaalsContact OD1-N 3.07Å; D168-I170 WeakPolarHBondContact OD2-CD1 3.41Å; D168-R312 VanDerWaalsContact O-CZ 3.26Å; D168-R312 PolarHBondContact O-NE 2.87Å; D168-R312 PolarHBondContact O-NH2 3.37Å; D168-R312 IonicContact OD1-NH2 3.7Å; D168-R312 IonicContact OD2-CZ 3.38Å; D168-R312 IonicContact OD2-NH1 3.8Å; D168-R312 IonicContact OD2-NH2 2.69Å; D168-R312 PolarHBondContact OD2-NH2 3.31Å; D168-C316 PolarHBondContact O-SG 3.49Å; D168-C316 VanDerWaalsContact O-SG 3.37Å
169G91.3Very high86.1Confident0 Ų017.3 Ų17.30%010%0.1CC..SBendtrans90.1-0.4177.200000116.2K166 L315K166-G169 PolarHBondContact O-N 3.11Å; K166-G169 VanDerWaalsContact O-N 3.12Å; G169-L315 WeakPolarHBondContact O-CD1 3.32Å
170I93.9Very high84.1Confident10 Ų1016.3 Ų16.35%0.05110%0.096CC..  trans-67.5139.8173.1-62.3166.1000110.4E84 K166 D168 Q172E84-I170 HydrophobicContact CG-CD1 3.79Å; E84-I170 HydrophobicContact CG-CG1 4.42Å; E84-I170 HydrophobicContact CG-CG2 4.15Å; E84-I170 VanDerWaalsContact OE1-CD1 3.26Å; E84-I170 WeakPolarHBondContact OE1-CD1 3.49Å; K166-I170 HydrophobicContact CB-CB 4.26Å; K166-I170 HydrophobicContact CD-CB 4.39Å; K166-I170 PolarHBondContact N-O 3.5Å; D168-I170 WeakPolarHBondContact OD1-CB 3.36Å; D168-I170 WeakPolarHBondContact OD1-CD1 3.46Å; D168-I170 VanDerWaalsContact OD1-CG1 3.28Å; D168-I170 WeakPolarHBondContact OD1-CG1 3.23Å; D168-I170 PolarHBondContact OD1-N 3.23Å; D168-I170 VanDerWaalsContact OD1-N 3.07Å; D168-I170 WeakPolarHBondContact OD2-CD1 3.41Å; I170-Q172 HydrophobicContact CG2-CG 3.96Å
171I96.3Very high82.2Confident1 Ų118.3 Ų18.31%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-94.5129.1166.3-49.9-59.3000109.7N85 L111 I137 D140 V141 L163 L164 V165 L315 L319N85-I171 WeakPolarHBondContact CA-O 3.19Å; N85-I171 PolarHBondContact ND2-O 2.61Å; L111-I171 HydrophobicContact CD1-CG2 4.47Å; L111-I171 HydrophobicContact CD2-CD1 4.25Å; I137-I171 HydrophobicContact CB-CG1 4.4Å; I137-I171 HydrophobicContact CG1-CD1 4.29Å; I137-I171 HydrophobicContact CG1-CG1 4.17Å; I137-I171 HydrophobicContact CG2-CG1 4.18Å; I137-I171 HydrophobicContact CG2-CG2 4.38Å; D140-I171 HydrophobicContact CB-CB 4.1Å; V141-I171 HydrophobicContact CG2-CG2 3.99Å; L163-I171 HydrophobicContact CB-CG2 4.25Å; L164-I171 WeakPolarHBondContact O-CA 3.12Å; V165-I171 HydrophobicContact CG1-CD1 4.42Å; V165-I171 HydrophobicContact CG2-CD1 3.95Å; I171-L315 HydrophobicContact CD1-CD1 4.42Å; I171-L315 HydrophobicContact CG1-CD1 4.04Å; I171-L319 HydrophobicContact CD1-CD1 3.77Å
172Q95.5Very high80Confident4 Ų419 Ų192%0.01910%0.104CC..EExtended strand (participates in β ladder)trans-121137.9176.6-61.6-157.5-51.700112.2E84 N85 I86 V87 C106 L164 K166 I170E84-Q172 WeakPolarHBondContact O-CG 3.43Å; E84-Q172 PolarHBondContact O-NE2 2.97Å; N85-Q172 WeakPolarHBondContact O-CA 3.48Å; I86-Q172 PolarHBondContact O-NE2 3.39Å; I86-Q172 VanDerWaalsContact O-NE2 3.07Å; V87-Q172 HydrophobicContact CG2-CB 3.78Å; C106-Q172 PolarHBondContact SG-OE1 2.79Å; C106-Q172 VanDerWaalsContact SG-OE1 3.41Å; L164-Q172 PolarHBondContact N-O 3.06Å; L164-Q172 PolarHBondContact O-N 3.07Å; K166-Q172 HydrophobicContact CD-CG 4.21Å; K166-Q172 VanDerWaalsContact CE-CD 3.44Å; K166-Q172 HydrophobicContact CG-CG 4.49Å; K166-Q172 VanDerWaalsContact NZ-CD 3.29Å; K166-Q172 VanDerWaalsContact NZ-OE1 3.16Å; I170-Q172 HydrophobicContact CG2-CG 3.96Å
173I95.2Very high77.6Confident0 Ų019.3 Ų19.30%011%0.109CC..EExtended strand (participates in β ladder)trans-80.1126.8172-59.1175.9000109.4N85 V87 V141 L145 I148 H155 L158 L163N85-I173 PolarHBondContact O-N 3.48Å; V87-I173 PolarHBondContact N-O 2.8Å; V141-I173 HydrophobicContact CG1-CD1 4.17Å; V141-I173 HydrophobicContact CG1-CG1 4.4Å; V141-I173 WeakPolarHBondContact O-CD1 3.39Å; L145-I173 HydrophobicContact CB-CD1 4.14Å; I148-I173 HydrophobicContact CD1-CD1 4.33Å; I148-I173 HydrophobicContact CD1-CG2 4.34Å; H155-I173 WeakPolarHBondContact CD2-CG2 3.36Å; H155-I173 WeakPolarHBondContact NE2-CG2 3.33Å; L158-I173 HydrophobicContact CD1-CG2 4.28Å; L163-I173 HydrophobicContact CD2-CG1 3.91Å
174A90.3Very high75Confident6 Ų621.6 Ų21.65%0.0512%0.122CC..  trans-116.7165.3179.800000112.2V87 H155 N162 L164 F176V87-A174 HydrophobicContact CB-CB 4.45Å; V87-A174 HydrophobicContact CG2-CB 3.74Å; H155-A174 PolarHBondContact NE2-O 2.79Å; H155-A174 VanDerWaalsContact NE2-O 3.09Å; N162-A174 PolarHBondContact O-N 3.24Å; L164-A174 HydrophobicContact CD1-CB 3.63Å; L164-A174 HydrophobicContact CG-CB 3.74Å; A174-F176 PolarHBondContact O-N 3.02Å; A174-F176 VanDerWaalsContact O-N 3.1Å
175D79.2Confident72.3Confident39 Ų3922.2 Ų22.221%0.20913%0.125CC..SBendtrans61.314.7172.4-82.30.8000117K55 Y89K55-D175 IonicContact NZ-OD1 2.66Å; K55-D175 PolarHBondContact NZ-OD1 3.19Å; K55-D175 IonicContact NZ-OD2 2.67Å; K55-D175 PolarHBondContact NZ-OD2 3.11Å; Y89-D175 PolarHBondContact OH-N 3.38Å
176F69.5Low69.4Low3 Ų327.7 Ų27.71%0.01316%0.16CC..THydrogen-bonded Turntrans-60.2156.8167.982.9-88.4000111.6M78 M81 I86 Y89 I148 L153 H155 A174 V178M78-F176 HydrophobicContact CB-CE2 4.08Å; M78-F176 HydrophobicContact CB-CZ 3.91Å; M78-F176 HydrophobicContact CG-CD2 4.17Å; M78-F176 HydrophobicContact CG-CE2 3.6Å; M78-F176 HydrophobicContact CG-CZ 3.88Å; M78-F176 HydrophobicContact SD-CD2 4.18Å; M78-F176 HydrophobicContact SD-CE1 4.47Å; M78-F176 HydrophobicContact SD-CE2 4.08Å; M78-F176 HydrophobicContact SD-CG 4.43Å; M78-F176 HydrophobicContact SD-CZ 4.22Å; M81-F176 HydrophobicContact CB-CZ 4.02Å; M81-F176 HydrophobicContact CG-CE2 4.05Å; M81-F176 HydrophobicContact CG-CZ 3.89Å; I86-F176 HydrophobicContact CG2-CD1 3.9Å; I86-F176 HydrophobicContact CG2-CE1 3.22Å; I86-F176 HydrophobicContact CG2-CZ 3.92Å; Y89-F176 HydrophobicContact CD2-CE1 4.01Å; Y89-F176 HydrophobicContact CD2-CZ 4.29Å; Y89-F176 AromaticContact CE2-CD1 3.94Å; Y89-F176 HydrophobicContact CE2-CD1 3.94Å; Y89-F176 AromaticContact CE2-CE1 3.48Å; Y89-F176 HydrophobicContact CE2-CE1 3.48Å; Y89-F176 VanDerWaalsContact CE2-CE1 3.48Å; Y89-F176 HydrophobicContact CE2-CZ 4.1Å; I148-F176 HydrophobicContact CD1-CG 4.43Å; L153-F176 HydrophobicContact CD1-CE2 4.48Å; H155-F176 WeakPolarHBondContact CD2-CB 3.23Å; A174-F176 PolarHBondContact O-N 3.02Å; A174-F176 VanDerWaalsContact O-N 3.1Å; F176-V178 VanDerWaalsContact C-N 3.33Å; F176-V178 PolarHBondContact O-N 2.82Å
177G60.2Low66.5Low1 Ų132.1 Ų32.11%0.0118%0.184CC..THydrogen-bonded Turntrans72.2-75.517900000113.9E74 A179 G180 F181E74-G177 WeakPolarHBondContact OE1-CA 3.48Å; G177-A179 PolarHBondContact O-N 3.3Å; G177-G180 PolarHBondContact O-N 2.67Å; G177-F181 VanDerWaalsContact O-CB 3.23Å; G177-F181 WeakPolarHBondContact O-CB 3.23Å; G177-F181 PolarHBondContact O-N 3.34Å
178V57.1Low63.8Low8 Ų831.8 Ų31.85%0.04819%0.185CC..Hα-helixtrans-65.7-45.5-167.5178.90000113.2I57 I75 M78 I101 F176 F181 L182I57-V178 HydrophobicContact CD1-CG1 4.06Å; I75-V178 HydrophobicContact CD1-CG2 4.5Å; I75-V178 HydrophobicContact CG1-CG2 3.85Å; M78-V178 HydrophobicContact CE-CG2 3.44Å; M78-V178 VanDerWaalsContact CE-CG2 3.44Å; M78-V178 HydrophobicContact SD-CG2 4.21Å; I101-V178 HydrophobicContact CD1-CG2 4.42Å; F176-V178 VanDerWaalsContact C-N 3.33Å; F176-V178 PolarHBondContact O-N 2.82Å; V178-F181 PolarHBondContact O-N 2.99Å; V178-L182 HydrophobicContact CG1-CD1 3.78Å; V178-L182 HydrophobicContact CG1-CG 4.33Å; V178-L182 WeakPolarHBondContact O-CB 3.22Å; V178-L182 VanDerWaalsContact O-CG 3.31Å; V178-L182 WeakPolarHBondContact O-CG 3.31Å; V178-L182 PolarHBondContact O-N 3.21Å
179A53.2Low61Low31 Ų3134.8 Ų34.826%0.25622%0.218SC..Hα-helixtrans-63.6-46.2179.700000110.8G177 A183G177-A179 PolarHBondContact O-N 3.3Å; A179-A183 WeakPolarHBondContact O-CB 3.46Å; A179-A183 PolarHBondContact O-N 3.05Å
180G51.3Low58.2Low2 Ų239 Ų392%0.02124%0.243CC..Hα-helixtrans-68.4-31.2176.900000114.4R156 G177 T184R156-G180 PolarHBondContact NH1-O 3.17Å; G177-G180 PolarHBondContact O-N 2.67Å; G180-T184 WeakPolarHBondContact O-CB 3.37Å; G180-T184 WeakPolarHBondContact O-CG2 3.46Å; G180-T184 PolarHBondContact O-N 2.91Å; G180-T184 PolarHBondContact O-OG1 3.15Å
181F53.7Low55.2Low42 Ų4242.7 Ų42.718%0.18428%0.284CS..Hα-helixtrans-71.7-46176.7-176.2-99.3000112A66 E70 G177 V178 A183 Q185A66-F181 HydrophobicContact CB-CE1 3.86Å; E70-F181 HydrophobicContact CB-CE1 3.67Å; E70-F181 HydrophobicContact CB-CZ 3.55Å; E70-F181 HydrophobicContact CG-CZ 4.22Å; G177-F181 VanDerWaalsContact O-CB 3.23Å; G177-F181 WeakPolarHBondContact O-CB 3.23Å; G177-F181 PolarHBondContact O-N 3.34Å; V178-F181 PolarHBondContact O-N 2.99Å; F181-A183 PolarHBondContact O-N 3.29Å; F181-Q185 HydrophobicContact CZ-CG 4.5Å
182L45.2Very low52.1Low33 Ų3346.7 Ų46.717%0.17331%0.312CS..Hα-helixtrans-66.6-26.8174.7-65.1173.7000112T64 A66 I71 V178T64-L182 HydrophobicContact CG2-CB 4.13Å; T64-L182 HydrophobicContact CG2-CD2 3.96Å; T64-L182 WeakPolarHBondContact CG2-O 3.5Å; A66-L182 HydrophobicContact CB-CD2 4.09Å; I71-L182 HydrophobicContact CD1-CD2 3.89Å; I71-L182 HydrophobicContact CG1-CD2 4.11Å; V178-L182 HydrophobicContact CG1-CD1 3.78Å; V178-L182 HydrophobicContact CG1-CG 4.33Å; V178-L182 WeakPolarHBondContact O-CB 3.22Å; V178-L182 VanDerWaalsContact O-CG 3.31Å; V178-L182 WeakPolarHBondContact O-CG 3.31Å; V178-L182 PolarHBondContact O-N 3.21Å
183A43.3Very low49.2Very low23 Ų2350.3 Ų50.319%0.1933%0.334CS..Hα-helixtrans-79.8-36.9178.200000114.7A179 F181 V201A179-A183 WeakPolarHBondContact O-CB 3.46Å; A179-A183 PolarHBondContact O-N 3.05Å; F181-A183 PolarHBondContact O-N 3.29Å; A183-V201 HydrophobicContact CB-CB 3.59Å; A183-V201 HydrophobicContact CB-CG1 3.38Å
184T41.8Very low46.2Very low47 Ų4752.9 Ų52.929%0.28835%0.348SS..  trans-123.543.1-164.181.50000114R156 G180 P186 Y218R156-T184 PolarHBondContact NH1-OG1 3.26Å; G180-T184 WeakPolarHBondContact O-CB 3.37Å; G180-T184 WeakPolarHBondContact O-CG2 3.46Å; G180-T184 PolarHBondContact O-N 2.91Å; G180-T184 PolarHBondContact O-OG1 3.15Å; T184-P186 WeakPolarHBondContact O-CD 3.33Å; T184-Y218 PolarHBondContact OG1-OH 3.24Å; T184-Y218 VanDerWaalsContact OG1-OH 3.05Å
185Q37.5Very low43.6Very low53 Ų5357.3 Ų57.325%0.24837%0.37CS..  trans-70.4118169.5-74.2-144.6-26.600110.8S65 A66 E70 F181S65-Q185 PolarHBondContact OG-OE1 2.75Å; A66-Q185 VanDerWaalsContact CA-NE2 3.33Å; E70-Q185 PolarHBondContact OE2-NE2 2.87Å; F181-Q185 HydrophobicContact CZ-CG 4.5Å
186P33.5Very low41.3Very low115 Ų11565.3 Ų65.375%0.74740%0.397SS*.  trans-77.3153.5168.1-4.424.7000110T184 T188T184-P186 WeakPolarHBondContact O-CD 3.33Å; P186-T188 PolarHBondContact O-N 3.45Å
187L30.4Very low39.4Very low121 Ų12171.6 Ų71.663%0.63442%0.421SS*.  trans-23.5121.2169.7-63.1158.5000114.7
188T31Very low38.1Very low76 Ų7677.3 Ų77.347%0.46644%0.443SS..  trans-56.9152.6162.942.70000110.5P186 T190P186-T188 PolarHBondContact O-N 3.45Å; T188-T190 PolarHBondContact O-N 2.88Å
189A32.1Very low36.9Very low116 Ų11680.4 Ų80.496%0.95946%0.462SS*.SBendtrans-64.417.6-169.300000117.4
190T31.8Very low36.1Very low88 Ų8882.8 Ų82.854%0.5447%0.467SS..SBendtrans-105.4117169.752.70000107.9T188 S192T188-T190 PolarHBondContact O-N 2.88Å; T190-S192 PolarHBondContact O-N 3.45Å
191G31.8Very low35.2Very low87 Ų8785.6 Ų85.690%0.89748%0.483SS*.  trans-66.823.2-173.600000117V193G191-V193 PolarHBondContact O-N 2.89Å
192S30.6Very low34.9Very low85 Ų8584.8 Ų84.859%0.59449%0.487SS*.  trans-81.4102.2172.139.30000110.6T190 D194T190-S192 PolarHBondContact O-N 3.45Å; S192-D194 PolarHBondContact O-N 3.44Å
193V34.6Very low35.7Very low80 Ų8083.9 Ų83.949%0.48548%0.483SS..  trans-73.190.2174.5-174.40000109.6G191 L195G191-V193 PolarHBondContact O-N 2.89Å; V193-L195 HydrophobicContact CG1-CD1 4.24Å; V193-L195 PolarHBondContact O-N 3.44Å
194D32Very low36.8Very low54 Ų5483 Ų8329%0.28948%0.475SS..  trans-78.596.3168.4-170.114.2000108.8S192 R196 R197S192-D194 PolarHBondContact O-N 3.44Å; D194-R196 PolarHBondContact O-N 2.98Å; D194-R196 IonicContact OD1-CZ 3.28Å; D194-R196 IonicContact OD1-NE 3.63Å; D194-R196 PolarHBondContact OD1-NE 3.21Å; D194-R196 IonicContact OD1-NH2 2.7Å; D194-R196 PolarHBondContact OD1-NH2 3.3Å; D194-R196 IonicContact OD2-NE 3.26Å; D194-R196 IonicContact OD2-NH2 2.69Å; D194-R197 PolarHBondContact O-N 2.92Å; D194-R197 VanDerWaalsContact O-N 3.15Å; D194-R197 IonicContact OD2-NE 3.6Å
195L35Very low38.4Very low100 Ų10081 Ų8152%0.52446%0.463SS..G310 helixtrans-52-20.5-176.7-83.481.7000113.6V193 R197 Y198V193-L195 HydrophobicContact CG1-CD1 4.24Å; V193-L195 PolarHBondContact O-N 3.44Å; L195-R197 PolarHBondContact O-N 2.8Å; L195-Y198 WeakPolarHBondContact O-CD2 3.44Å; L195-Y198 PolarHBondContact O-N 2.62Å
196R30.9Very low40.6Very low206 Ų20679.7 Ų79.778%0.77746%0.456SS*.G310 helixtrans-62.3-6.5177.2-72.7176.3-73.8-160.2-6.7115D194D194-R196 PolarHBondContact O-N 2.98Å; D194-R196 IonicContact OD1-CZ 3.28Å; D194-R196 IonicContact OD1-NE 3.63Å; D194-R196 PolarHBondContact OD1-NE 3.21Å; D194-R196 IonicContact OD1-NH2 2.7Å; D194-R196 PolarHBondContact OD1-NH2 3.3Å; D194-R196 IonicContact OD2-NE 3.26Å; D194-R196 IonicContact OD2-NH2 2.69Å
197R31.1Very low42.7Very low135 Ų13575.5 Ų75.551%0.50943%0.426SS..G310 helixtrans-99.1-0.9-179.4-56.3-170.7-162.8179.49.7115.3D194 L195 T199D194-R197 PolarHBondContact O-N 2.92Å; D194-R197 VanDerWaalsContact O-N 3.15Å; D194-R197 IonicContact OD2-NE 3.6Å; L195-R197 PolarHBondContact O-N 2.8Å; R197-T199 PolarHBondContact O-N 2.71Å
198Y32.3Very low44.6Very low122 Ų12269.8 Ų69.848%0.47840%0.397SS..  trans-73.538.2170.5-68.7-73.6000113.5L195 F200 I493L195-Y198 WeakPolarHBondContact O-CD2 3.44Å; L195-Y198 PolarHBondContact O-N 2.62Å; Y198-F200 PolarHBondContact O-N 3.49Å; Y198-F200 VanDerWaalsContact O-N 3.14Å; Y198-I493 HydrophobicContact CE1-CD1 4.45Å
199T32.2Very low46.7Very low72 Ų7266.4 Ų66.444%0.44238%0.376SS..  trans-67.4116.1164.443.70000107.4R197 V201R197-T199 PolarHBondContact O-N 2.71Å; T199-V201 WeakPolarHBondContact O-CG2 3.46Å; T199-V201 PolarHBondContact O-N 3.25Å
200F35.2Very low48.9Very low82 Ų8262.1 Ų62.136%0.3634%0.336SS..  trans-73.375.6178.2-167.6-84.8000108.6Y198 G202 P204 M207 M212Y198-F200 PolarHBondContact O-N 3.49Å; Y198-F200 VanDerWaalsContact O-N 3.14Å; F200-G202 PolarHBondContact O-N 2.99Å; F200-P204 HydrophobicContact CD1-CB 4.41Å; F200-P204 HydrophobicContact CE1-CB 3.62Å; F200-P204 HydrophobicContact CE1-CG 4.39Å; F200-P204 HydrophobicContact CZ-CB 4.26Å; F200-M207 HydrophobicContact CD1-SD 4.2Å; F200-M207 HydrophobicContact CE1-CE 3.71Å; F200-M207 HydrophobicContact CE1-SD 3.25Å; F200-M207 WeakPolarHBondContact CE1-SD 3.49Å; F200-M207 HydrophobicContact CE2-CE 4.04Å; F200-M207 HydrophobicContact CZ-CE 3.4Å; F200-M207 VanDerWaalsContact CZ-CE 3.4Å; F200-M207 HydrophobicContact CZ-SD 3.52Å; F200-M207 VanDerWaalsContact CZ-SD 3.52Å; F200-M212 HydrophobicContact CZ-CG 4.43Å
201V33.4Very low50.6Low61 Ų6159.3 Ų59.337%0.3732%0.319SS..  trans-81.9105-177-166.80000108.9A183 T199A183-V201 HydrophobicContact CB-CB 3.59Å; A183-V201 HydrophobicContact CB-CG1 3.38Å; T199-V201 WeakPolarHBondContact O-CG2 3.46Å; T199-V201 PolarHBondContact O-N 3.25Å
202G46.3Very low52.3Low25 Ų2555.5 Ų55.526%0.25828%0.278SS..SBendtrans158.6154.9-174.400000108.1F200 P204F200-G202 PolarHBondContact O-N 2.99Å; G202-P204 VanDerWaalsContact O-CD 3.25Å; G202-P204 WeakPolarHBondContact O-CD 3.35Å
203T62.3Low53.7Low13 Ų1356.1 Ų56.18%0.0827%0.272CS..  trans-90104.5176.5-39.10000108.1K159 C205 W206K159-T203 PolarHBondContact NZ-OG1 3.43Å; T203-C205 PolarHBondContact O-N 3.18Å; T203-W206 HydrophobicContact CG2-CE3 3.6Å; T203-W206 HydrophobicContact CG2-CH2 4.33Å; T203-W206 HydrophobicContact CG2-CZ3 3.3Å; T203-W206 PolarHBondContact O-N 2.95Å; T203-W206 VanDerWaalsContact O-N 3.08Å
204P67Low55.1Low6 Ų657.7 Ų57.74%0.03927%0.274CS..G310 helixtrans-55.9-32.3-160.916.4-31.2000114.2F200 G202 W206 M207 M212 P246 V249 W351F200-P204 HydrophobicContact CD1-CB 4.41Å; F200-P204 HydrophobicContact CE1-CB 3.62Å; F200-P204 HydrophobicContact CE1-CG 4.39Å; F200-P204 HydrophobicContact CZ-CB 4.26Å; G202-P204 VanDerWaalsContact O-CD 3.25Å; G202-P204 WeakPolarHBondContact O-CD 3.35Å; P204-W206 PolarHBondContact O-N 3.38Å; P204-W206 VanDerWaalsContact O-N 3.15Å; P204-M207 PolarHBondContact O-N 2.92Å; P204-M207 VanDerWaalsContact O-N 3.14Å; P204-M212 WeakPolarHBondContact O-CE 3.27Å; P204-P246 HydrophobicContact CG-CB 4.05Å; P204-P246 HydrophobicContact CG-CG 4.35Å; P204-V249 HydrophobicContact CB-CB 4.14Å; P204-V249 HydrophobicContact CB-CG1 3.87Å; P204-W351 HydrophobicContact CG-CH2 4.03Å; P204-W351 HydrophobicContact CG-CZ3 4.09Å
205C75.4Confident55.7Low4 Ų458.7 Ų58.73%0.02729%0.289CS..G310 helixtrans-64.4-20.3-176.5-51.80000114.2T203 I229 A239 V249T203-C205 PolarHBondContact O-N 3.18Å; C205-I229 WeakPolarHBondContact O-CG2 3.47Å; C205-A239 HydrophobicContact CB-CB 3.54Å; C205-V249 HydrophobicContact CB-CG1 4.27Å
206W84.1Confident56.2Low25 Ų2564.6 Ų64.610%0.09531%0.305CS..G310 helixtrans-101.7-5.4178.8-66-106.9000113K159 T203 P204 S226 I229 E233 A239K159-W206 HydrophobicContact CB-CD2 4.09Å; K159-W206 HydrophobicContact CB-CG 4.03Å; K159-W206 HydrophobicContact CB-CZ2 4.34Å; K159-W206 VanDerWaalsContact CB-NE1 3.34Å; T203-W206 HydrophobicContact CG2-CE3 3.6Å; T203-W206 HydrophobicContact CG2-CH2 4.33Å; T203-W206 HydrophobicContact CG2-CZ3 3.3Å; T203-W206 PolarHBondContact O-N 2.95Å; T203-W206 VanDerWaalsContact O-N 3.08Å; P204-W206 PolarHBondContact O-N 3.38Å; P204-W206 VanDerWaalsContact O-N 3.15Å; W206-S226 WeakPolarHBondContact O-CA 3.48Å; W206-S226 WeakPolarHBondContact O-CB 3.43Å; W206-S226 PolarHBondContact O-OG 3.5Å; W206-I229 HydrophobicContact CB-CG2 4.43Å; W206-I229 HydrophobicContact CD2-CG2 4.23Å; W206-I229 HydrophobicContact CG-CB 4.34Å; W206-I229 HydrophobicContact CG-CG2 3.83Å; W206-E233 HydrophobicContact CZ2-CG 4.32Å; W206-E233 WeakPolarHBondContact CZ2-OE1 3.06Å; W206-E233 PolarHBondContact NE1-OE2 2.79Å; W206-A239 HydrophobicContact CD2-CB 4.26Å; W206-A239 HydrophobicContact CE3-CB 4.35Å; W206-A239 HydrophobicContact CH2-CB 3.84Å; W206-A239 HydrophobicContact CZ2-CB 3.74Å; W206-A239 HydrophobicContact CZ3-CB 4.13Å
207M77Confident57.1Low27 Ų2758.6 Ų58.613%0.13331%0.307CS..  trans-80.7143.2-175.1-71.5172.465.300111.8F200 P204 V211 M212 W225F200-M207 HydrophobicContact CD1-SD 4.2Å; F200-M207 HydrophobicContact CE1-CE 3.71Å; F200-M207 HydrophobicContact CE1-SD 3.25Å; F200-M207 WeakPolarHBondContact CE1-SD 3.49Å; F200-M207 HydrophobicContact CE2-CE 4.04Å; F200-M207 HydrophobicContact CZ-CE 3.4Å; F200-M207 VanDerWaalsContact CZ-CE 3.4Å; F200-M207 HydrophobicContact CZ-SD 3.52Å; F200-M207 VanDerWaalsContact CZ-SD 3.52Å; P204-M207 PolarHBondContact O-N 2.92Å; P204-M207 VanDerWaalsContact O-N 3.14Å; M207-V211 HydrophobicContact CE-CG1 3.65Å; M207-M212 HydrophobicContact CB-CE 3.92Å; M207-M212 HydrophobicContact CB-CG 4.28Å; M207-W225 PolarHBondContact O-NE1 3.32Å
208A71.6Confident58.5Low1 Ų155.1 Ų55.11%0.00830%0.295CS..  trans-79.9150.3-178.500000111.6E210 V211 M212 A222 W225A208-E210 VanDerWaalsContact C-N 3.26Å; A208-E210 VanDerWaalsContact CB-CD 3.48Å; A208-E210 VanDerWaalsContact CB-OE1 3.31Å; A208-E210 WeakPolarHBondContact CB-OE1 3.43Å; A208-E210 WeakPolarHBondContact CB-OE2 3.37Å; A208-E210 PolarHBondContact O-N 2.73Å; A208-V211 HydrophobicContact CB-CG2 3.96Å; A208-V211 WeakPolarHBondContact O-CB 3.45Å; A208-V211 PolarHBondContact O-N 3.09Å; A208-M212 WeakPolarHBondContact O-CG 3.47Å; A208-M212 PolarHBondContact O-N 2.85Å; A208-A222 HydrophobicContact CB-CB 4.3Å; A208-W225 VanDerWaalsContact CA-CD1 3.46Å; A208-W225 HydrophobicContact CB-CB 3.62Å; A208-W225 HydrophobicContact CB-CD2 4.28Å; A208-W225 HydrophobicContact CB-CG 3.65Å
209P74.9Confident60.3Low6 Ų652.5 Ų52.54%0.03929%0.289CS..Hα-helixtrans-59.6-32.8-176.224.2-35.5000113.5M212 Q213 W225 L254 K288P209-M212 WeakPolarHBondContact O-CB 3.02Å; P209-M212 PolarHBondContact O-N 3.35Å; P209-Q213 WeakPolarHBondContact O-CB 3.49Å; P209-Q213 VanDerWaalsContact O-CG 3.23Å; P209-Q213 WeakPolarHBondContact O-CG 3.43Å; P209-Q213 PolarHBondContact O-N 3.06Å; P209-W225 HydrophobicContact CG-CE3 4.33Å; P209-W225 HydrophobicContact CG-CH2 4.36Å; P209-W225 HydrophobicContact CG-CZ3 4.12Å; P209-L254 HydrophobicContact CB-CD2 3.74Å; P209-L254 WeakPolarHBondContact O-CD2 3.43Å; P209-K288 HydrophobicContact CB-CD 4.4Å; P209-K288 HydrophobicContact CG-CD 3.97Å
210E76.9Confident62.8Low25 Ų2553.1 Ų53.112%0.11729%0.287CS..Hα-helixtrans-72.8-32175.875.4-74.9-173.200113.1A208 M212 Q214 P290 R293A208-E210 VanDerWaalsContact C-N 3.26Å; A208-E210 VanDerWaalsContact CB-CD 3.48Å; A208-E210 VanDerWaalsContact CB-OE1 3.31Å; A208-E210 WeakPolarHBondContact CB-OE1 3.43Å; A208-E210 WeakPolarHBondContact CB-OE2 3.37Å; A208-E210 PolarHBondContact O-N 2.73Å; E210-M212 VanDerWaalsContact C-N 3.34Å; E210-Q214 PolarHBondContact O-N 2.85Å; E210-P290 HydrophobicContact CB-CG 4.02Å; E210-P290 VanDerWaalsContact CD-CG 3.49Å; E210-P290 HydrophobicContact CG-CG 3.66Å; E210-R293 IonicContact OE1-CZ 2.7Å; E210-R293 IonicContact OE1-NH1 2.79Å; E210-R293 PolarHBondContact OE1-NH1 2.81Å; E210-R293 IonicContact OE1-NH2 3.51Å; E210-R293 IonicContact OE2-CZ 2.65Å; E210-R293 IonicContact OE2-NH1 3.8Å; E210-R293 PolarHBondContact OE2-NH1 3.24Å; E210-R293 IonicContact OE2-NH2 3.44Å; E210-R293 PolarHBondContact OE2-NH2 2.87Å
211V69.1Low65.5Low30 Ų3051 Ų5118%0.18228%0.277CS..Hα-helixtrans-67.8-41.6173.2-177.40000109.2M207 A208 Q214 Y218 A222M207-V211 HydrophobicContact CE-CG1 3.65Å; A208-V211 HydrophobicContact CB-CG2 3.96Å; A208-V211 WeakPolarHBondContact O-CB 3.45Å; A208-V211 PolarHBondContact O-N 3.09Å; V211-Q214 PolarHBondContact O-N 2.68Å; V211-Y218 HydrophobicContact CG1-CD1 4.2Å; V211-Y218 HydrophobicContact CG2-CD1 4.29Å; V211-Y218 HydrophobicContact CG2-CG 3.99Å; V211-A222 HydrophobicContact CG2-CB 3.59Å
212M65.7Low68.2Low6 Ų648.3 Ų48.33%0.0326%0.262CS..Hα-helixtrans-64.6-39.6176.1-76.3-179.8175.400113.3F200 P204 M207 A208 P209 E210 Q214 L250 T253 L254F200-M212 HydrophobicContact CZ-CG 4.43Å; P204-M212 WeakPolarHBondContact O-CE 3.27Å; M207-M212 HydrophobicContact CB-CE 3.92Å; M207-M212 HydrophobicContact CB-CG 4.28Å; A208-M212 WeakPolarHBondContact O-CG 3.47Å; A208-M212 PolarHBondContact O-N 2.85Å; P209-M212 WeakPolarHBondContact O-CB 3.02Å; P209-M212 PolarHBondContact O-N 3.35Å; E210-M212 VanDerWaalsContact C-N 3.34Å; M212-Q214 VanDerWaalsContact C-N 3.3Å; M212-Q214 PolarHBondContact O-N 3.36Å; M212-L250 HydrophobicContact CB-CD1 3.46Å; M212-L250 VanDerWaalsContact CB-CD1 3.46Å; M212-L250 HydrophobicContact CG-CD1 3.6Å; M212-L250 HydrophobicContact SD-CD1 3.68Å; M212-T253 HydrophobicContact CE-CG2 3.8Å; M212-T253 HydrophobicContact SD-CG2 3.57Å; M212-T253 VanDerWaalsContact SD-CG2 3.57Å; M212-L254 HydrophobicContact CB-CD2 3.95Å; M212-L254 HydrophobicContact CB-CG 4.49Å; M212-L254 HydrophobicContact SD-CD2 4.33Å; M212-L254 HydrophobicContact SD-CG 4.47Å
213Q60.8Low70.5Confident99 Ų9947.2 Ų47.246%0.46325%0.25SC..Hα-helixtrans-74.9-15.8179.7-76.5168.4-5.300113.9P209 A215 L254P209-Q213 WeakPolarHBondContact O-CB 3.49Å; P209-Q213 VanDerWaalsContact O-CG 3.23Å; P209-Q213 WeakPolarHBondContact O-CG 3.43Å; P209-Q213 PolarHBondContact O-N 3.06Å; Q213-A215 HydrophobicContact CB-CB 4.3Å; Q213-A215 PolarHBondContact O-N 3.21Å; Q213-L254 HydrophobicContact CG-CD1 4.27Å; Q213-L254 HydrophobicContact CG-CD2 3.76Å
214Q63.1Low72.1Confident113 Ų11346.6 Ų46.653%0.52825%0.246SC..  trans54.34.8-174.8-56.7-172-3.100115.6E210 V211 M212 R216 I493E210-Q214 PolarHBondContact O-N 2.85Å; V211-Q214 PolarHBondContact O-N 2.68Å; M212-Q214 VanDerWaalsContact C-N 3.3Å; M212-Q214 PolarHBondContact O-N 3.36Å; Q214-R216 VanDerWaalsContact C-N 3.29Å; Q214-R216 PolarHBondContact O-N 2.75Å; Q214-I493 HydrophobicContact CB-CD1 4.48Å; Q214-I493 VanDerWaalsContact CD-CD1 3.5Å; Q214-I493 HydrophobicContact CG-CD1 4.16Å
215A44.6Very low73.5Confident75 Ų7546.4 Ų46.462%0.6225%0.245SC*.SBendtrans-68.4-24.5-16200000114.5Q213Q213-A215 HydrophobicContact CB-CB 4.3Å; Q213-A215 PolarHBondContact O-N 3.21Å
216R45.3Very low74.4Confident223 Ų22346.5 Ų46.584%0.84225%0.245SC*.SBendtrans-148.1152.4167.7-64.1-171.8175.5160.1-0.1107.8Q214 Y218Q214-R216 VanDerWaalsContact C-N 3.29Å; Q214-R216 PolarHBondContact O-N 2.75Å; R216-Y218 PolarHBondContact O-N 2.83Å
217G50.1Low75.1Confident81 Ų8145.3 Ų45.384%0.83524%0.241SC*.  trans-52129.1175.300000111.2
218Y60.7Low76.1Confident62 Ų6244 Ų4424%0.24323%0.234CC..  trans-69.8152.2-176.760.8-96.5000111.3V154 R156 T184 V211 R216 A222V154-Y218 HydrophobicContact CB-CE2 4.47Å; V154-Y218 HydrophobicContact CG1-CD2 4.17Å; V154-Y218 HydrophobicContact CG1-CE2 3.99Å; R156-Y218 WeakPolarHBondContact CD-OH 3.39Å; R156-Y218 HydrophobicContact CG-CE2 3.77Å; R156-Y218 WeakPolarHBondContact CG-OH 3.46Å; R156-Y218 PolarHBondContact NE-OH 3.31Å; R156-Y218 PolarHBondContact NH1-OH 3.46Å; R156-Y218 VanDerWaalsContact NH1-OH 3.11Å; T184-Y218 PolarHBondContact OG1-OH 3.24Å; T184-Y218 VanDerWaalsContact OG1-OH 3.05Å; V211-Y218 HydrophobicContact CG1-CD1 4.2Å; V211-Y218 HydrophobicContact CG2-CD1 4.29Å; V211-Y218 HydrophobicContact CG2-CG 3.99Å; R216-Y218 PolarHBondContact O-N 2.83Å; Y218-A222 HydrophobicContact CD2-CB 4.37Å
219N71.3Confident77.3Confident67 Ų6744.1 Ų44.136%0.35824%0.235SC..  trans-114.4-177.4179.266.824.4000110.3K221 A222N219-K221 PolarHBondContact O-N 2.87Å; N219-K221 WeakPolarHBondContact OD1-CA 3.23Å; N219-K221 WeakPolarHBondContact OD1-CB 3.19Å; N219-K221 WeakPolarHBondContact OD1-CG 3.44Å; N219-K221 PolarHBondContact OD1-N 3.06Å; N219-A222 WeakPolarHBondContact O-CB 3.5Å; N219-A222 PolarHBondContact O-N 3.42Å
220Q84.6Confident78.4Confident84 Ų8443.9 Ų43.939%0.39323%0.233SC..THydrogen-bonded Turntrans-60.2-14.3-179.971.5-85.329.800114.8H149 V154 A222 D223H149-Q220 HydrophobicContact CB-CB 4.28Å; H149-Q220 HydrophobicContact CB-CG 4.24Å; H149-Q220 PolarHBondContact CE1-O 3.03Å; H149-Q220 PolarHBondContact NE2-O 3.04Å; V154-Q220 HydrophobicContact CG2-CB 4.21Å; Q220-A222 PolarHBondContact O-N 2.71Å; Q220-D223 PolarHBondContact O-N 2.8Å
221K92.2Very high79.4Confident37 Ų3742.7 Ų42.716%0.16123%0.228CC..Hα-helixtrans-72.7-15.1174.2-53.4-69.1-159.677.10112.6N219 I224 W225 P290 G291 R293N219-K221 PolarHBondContact O-N 2.87Å; N219-K221 WeakPolarHBondContact OD1-CA 3.23Å; N219-K221 WeakPolarHBondContact OD1-CB 3.19Å; N219-K221 WeakPolarHBondContact OD1-CG 3.44Å; N219-K221 PolarHBondContact OD1-N 3.06Å; K221-I224 WeakPolarHBondContact O-CB 3.41Å; K221-I224 PolarHBondContact O-N 3.27Å; K221-W225 PolarHBondContact O-N 3.4Å; K221-P290 HydrophobicContact CB-CB 3.92Å; K221-P290 HydrophobicContact CG-CB 4.41Å; K221-P290 WeakPolarHBondContact CG-O 3.49Å; K221-P290 PolarHBondContact NZ-O 3.39Å; K221-G291 PolarHBondContact NZ-O 3.3Å; K221-G291 VanDerWaalsContact NZ-O 3.15Å; K221-R293 HydrophobicContact CD-CB 4.29Å; K221-R293 WeakPolarHBondContact CE-O 3.31Å; K221-R293 PolarHBondContact NZ-O 3.03Å; K221-R293 WeakPolarHBondContact O-CD 3.26Å; K221-R293 PolarHBondContact O-NH1 3.07Å
222A90.2Very high80.8Confident6 Ų641.2 Ų41.25%0.0522%0.219CC..Hα-helixtrans-61.3-46.2170.500000111A208 V211 Y218 N219 Q220 I224 W225 S226A208-A222 HydrophobicContact CB-CB 4.3Å; V211-A222 HydrophobicContact CG2-CB 3.59Å; Y218-A222 HydrophobicContact CD2-CB 4.37Å; N219-A222 WeakPolarHBondContact O-CB 3.5Å; N219-A222 PolarHBondContact O-N 3.42Å; Q220-A222 PolarHBondContact O-N 2.71Å; A222-I224 PolarHBondContact O-N 3.03Å; A222-W225 WeakPolarHBondContact O-CB 3.35Å; A222-W225 PolarHBondContact O-N 2.99Å; A222-S226 PolarHBondContact O-N 2.8Å; A222-S226 VanDerWaalsContact O-N 3.1Å; A222-S226 PolarHBondContact O-OG 2.72Å
223D93.4Very high82.3Confident1 Ų141.2 Ų41.21%0.00522%0.219CC..Hα-helixtrans-61.5-29.1176.8-60.6-28.6000112.4L145 H149 V154 H155 R156 Q220 S226 L227L145-D223 HydrophobicContact CD1-CB 3.9Å; L145-D223 HydrophobicContact CD2-CB 4.17Å; H149-D223 IonicContact CD2-OD2 3.76Å; H149-D223 IonicContact CE1-OD2 2.93Å; H149-D223 IonicContact NE2-OD2 2.63Å; H149-D223 PolarHBondContact NE2-OD2 3.24Å; V154-D223 WeakPolarHBondContact CG1-OD1 3.47Å; V154-D223 WeakPolarHBondContact CG1-OD2 3.36Å; H155-D223 WeakPolarHBondContact CB-OD1 3.45Å; H155-D223 WeakPolarHBondContact CB-OD2 3.49Å; H155-D223 PolarHBondContact N-OD1 2.81Å; H155-D223 PolarHBondContact N-OD2 2.9Å; R156-D223 PolarHBondContact N-OD1 3.22Å; Q220-D223 PolarHBondContact O-N 2.8Å; D223-S226 PolarHBondContact O-N 3.37Å; D223-L227 WeakPolarHBondContact O-CB 3.39Å; D223-L227 PolarHBondContact O-N 3.29Å
224I97.1Very high84Confident1 Ų136.5 Ų36.51%0.00520%0.197CC..Hα-helixtrans-68.6-38.2176.8-56.1-59.2000111.1L145 K221 A222 L227 G228 C285 R293 L294 A296 L299L145-I224 HydrophobicContact CD2-CD1 4.02Å; K221-I224 WeakPolarHBondContact O-CB 3.41Å; K221-I224 PolarHBondContact O-N 3.27Å; A222-I224 PolarHBondContact O-N 3.03Å; I224-L227 WeakPolarHBondContact O-CB 3.41Å; I224-L227 PolarHBondContact O-N 3.2Å; I224-G228 PolarHBondContact O-N 3.06Å; I224-C285 HydrophobicContact CG2-CB 4.18Å; I224-C285 WeakPolarHBondContact O-CB 3.21Å; I224-R293 HydrophobicContact CG2-CB 4.13Å; I224-L294 WeakPolarHBondContact CG2-O 3.2Å; I224-A296 HydrophobicContact CD1-CB 4.04Å; I224-L299 HydrophobicContact CD1-CD1 4.14Å; I224-L299 HydrophobicContact CG2-CD1 3.84Å
225W95.7Very high85.6Confident1 Ų131.1 Ų31.10%0.00417%0.172CC..Hα-helixtrans-63.3-48.3170.9176-79.6000110.6M207 A208 P209 K221 A222 L227 G228 I229 T253 L286 K288M207-W225 PolarHBondContact O-NE1 3.32Å; A208-W225 VanDerWaalsContact CA-CD1 3.46Å; A208-W225 HydrophobicContact CB-CB 3.62Å; A208-W225 HydrophobicContact CB-CD2 4.28Å; A208-W225 HydrophobicContact CB-CG 3.65Å; P209-W225 HydrophobicContact CG-CE3 4.33Å; P209-W225 HydrophobicContact CG-CH2 4.36Å; P209-W225 HydrophobicContact CG-CZ3 4.12Å; K221-W225 PolarHBondContact O-N 3.4Å; A222-W225 WeakPolarHBondContact O-CB 3.35Å; A222-W225 PolarHBondContact O-N 2.99Å; W225-L227 VanDerWaalsContact C-N 3.26Å; W225-L227 PolarHBondContact O-N 2.82Å; W225-G228 WeakPolarHBondContact O-CA 3.36Å; W225-G228 PolarHBondContact O-N 2.99Å; W225-I229 PolarHBondContact O-N 3.46Å; W225-T253 HydrophobicContact CZ2-CG2 3.77Å; W225-L286 HydrophobicContact CD2-CD2 3.71Å; W225-L286 HydrophobicContact CE3-CB 4.37Å; W225-L286 HydrophobicContact CE3-CD2 4Å; W225-L286 HydrophobicContact CG-CD2 4.05Å; W225-L286 HydrophobicContact CH2-CD2 4.49Å; W225-L286 HydrophobicContact CZ2-CD2 4.25Å; W225-L286 HydrophobicContact CZ3-CB 4.24Å; W225-L286 HydrophobicContact CZ3-CD2 4.38Å; W225-L286 WeakPolarHBondContact CZ3-O 3.21Å; W225-L286 WeakPolarHBondContact O-CD2 3.44Å; W225-K288 HydrophobicContact CH2-CD 3.93Å; W225-K288 HydrophobicContact CZ3-CD 4.02Å
226S95.1Very high88Confident6 Ų627.9 Ų27.94%0.04214%0.144CC..Hα-helixtrans-58.9-36.4177-52.20000112.4L158 W206 A222 D223 I229 T230L158-S226 WeakPolarHBondContact O-CB 3.13Å; W206-S226 WeakPolarHBondContact O-CA 3.48Å; W206-S226 WeakPolarHBondContact O-CB 3.43Å; W206-S226 PolarHBondContact O-OG 3.5Å; A222-S226 PolarHBondContact O-N 2.8Å; A222-S226 VanDerWaalsContact O-N 3.1Å; A222-S226 PolarHBondContact O-OG 2.72Å; D223-S226 PolarHBondContact O-N 3.37Å; S226-I229 PolarHBondContact O-N 3Å; S226-T230 WeakPolarHBondContact O-CB 3.48Å; S226-T230 PolarHBondContact O-N 3.39Å; S226-T230 PolarHBondContact O-OG1 3.15Å
227L97.9Very high90.3Very high0 Ų017.9 Ų17.90%011%0.11CC..Hα-helixtrans-63-40.1171.2-176.572.8000112L138 V141 L142 L145 L158 D223 I224 W225 T230 T231 F281 L299L138-L227 HydrophobicContact CD2-CD1 3.65Å; L138-L227 HydrophobicContact CD2-CG 4.22Å; V141-L227 HydrophobicContact CB-CD1 4.45Å; V141-L227 HydrophobicContact CG1-CD1 3.65Å; L142-L227 HydrophobicContact CD2-CD2 3.42Å; L142-L227 VanDerWaalsContact CD2-CD2 3.42Å; L142-L227 HydrophobicContact CG-CD2 4.1Å; L145-L227 HydrophobicContact CD2-CD2 4.49Å; L158-L227 HydrophobicContact CD2-CB 3.86Å; L158-L227 HydrophobicContact CD2-CD1 4Å; D223-L227 WeakPolarHBondContact O-CB 3.39Å; D223-L227 PolarHBondContact O-N 3.29Å; I224-L227 WeakPolarHBondContact O-CB 3.41Å; I224-L227 PolarHBondContact O-N 3.2Å; W225-L227 VanDerWaalsContact C-N 3.26Å; W225-L227 PolarHBondContact O-N 2.82Å; L227-T230 PolarHBondContact O-N 3.41Å; L227-T231 WeakPolarHBondContact O-CB 3.48Å; L227-T231 PolarHBondContact O-N 3.4Å; L227-T231 PolarHBondContact O-OG1 3.02Å; L227-F281 HydrophobicContact CD2-CZ 4.41Å; L227-L299 HydrophobicContact CD2-CD1 4.16Å
228G98Very high92.3Very high0 Ų018.4 Ų18.40%09%0.091CC..Hα-helixtrans-59.9-45.9173.900000112.3I224 W225 T231 I232I224-G228 PolarHBondContact O-N 3.06Å; W225-G228 WeakPolarHBondContact O-CA 3.36Å; W225-G228 PolarHBondContact O-N 2.99Å; G228-T231 WeakPolarHBondContact O-CB 3.4Å; G228-T231 PolarHBondContact O-N 2.8Å; G228-I232 PolarHBondContact O-N 3.05Å
229I97.3Very high93.8Very high3 Ų315.5 Ų15.52%0.0158%0.08CC..Hα-helixtrans-64.9-44.5174.5-58.5-58.7000111.2C205 W206 W225 S226 T231 I232 E233 A239 P240 P259 L286C205-I229 WeakPolarHBondContact O-CG2 3.47Å; W206-I229 HydrophobicContact CB-CG2 4.43Å; W206-I229 HydrophobicContact CD2-CG2 4.23Å; W206-I229 HydrophobicContact CG-CB 4.34Å; W206-I229 HydrophobicContact CG-CG2 3.83Å; W225-I229 PolarHBondContact O-N 3.46Å; S226-I229 PolarHBondContact O-N 3Å; I229-T231 PolarHBondContact O-N 2.94Å; I229-I232 PolarHBondContact O-N 3.11Å; I229-E233 PolarHBondContact O-N 3.02Å; I229-A239 HydrophobicContact CG2-CB 3.65Å; I229-P240 HydrophobicContact CD1-CG 4.11Å; I229-P259 HydrophobicContact CD1-CG 3.84Å; I229-L286 HydrophobicContact CD1-CD1 4.34Å; I229-L286 HydrophobicContact CD1-CD2 3.71Å; I229-L286 HydrophobicContact CG1-CD2 3.96Å
230T97.6Very high94.8Very high1 Ų112.6 Ų12.61%0.0067%0.065CC..Hα-helixtrans-59.6-32.5175.9-53.80000111.8L158 K159 L163 S226 L227 E233 M234L158-T230 PolarHBondContact O-OG1 2.77Å; K159-T230 WeakPolarHBondContact CA-OG1 3.4Å; L163-T230 HydrophobicContact CD1-CG2 3.85Å; S226-T230 WeakPolarHBondContact O-CB 3.48Å; S226-T230 PolarHBondContact O-N 3.39Å; S226-T230 PolarHBondContact O-OG1 3.15Å; L227-T230 PolarHBondContact O-N 3.41Å; T230-E233 WeakPolarHBondContact O-CB 3.32Å; T230-E233 PolarHBondContact O-N 3.27Å; T230-M234 HydrophobicContact CG2-CE 4.39Å; T230-M234 WeakPolarHBondContact O-CG 3.44Å; T230-M234 PolarHBondContact O-N 3.13Å
231T98.3Very high95.1Very high0 Ų09.7 Ų9.70%05%0.05CC..Hα-helixtrans-68.5-37.3175.5-57.20000112I134 L138 L227 G228 I229 A235 F278 F281 T282I134-T231 HydrophobicContact CG2-CG2 4.22Å; L138-T231 HydrophobicContact CD1-CG2 3.89Å; L138-T231 WeakPolarHBondContact CD2-OG1 3.46Å; L227-T231 WeakPolarHBondContact O-CB 3.48Å; L227-T231 PolarHBondContact O-N 3.4Å; L227-T231 PolarHBondContact O-OG1 3.02Å; G228-T231 WeakPolarHBondContact O-CB 3.4Å; G228-T231 PolarHBondContact O-N 2.8Å; I229-T231 PolarHBondContact O-N 2.94Å; T231-A235 PolarHBondContact O-N 3.03Å; T231-F278 HydrophobicContact CG2-CD2 4.4Å; T231-F278 HydrophobicContact CG2-CE2 3.62Å; T231-F278 HydrophobicContact CG2-CZ 3.8Å; T231-F281 HydrophobicContact CG2-CD1 4.22Å; T231-F281 HydrophobicContact CG2-CE1 4.27Å; T231-T282 HydrophobicContact CG2-CG2 3.63Å
232I97.5Very high94.8Very high0 Ų08.6 Ų8.60%05%0.048CC..Hα-helixtrans-70.5-44172.9-63.5164000109.9G228 I229 M234 A235 T236 P240 V264 T282 L286G228-I232 PolarHBondContact O-N 3.05Å; I229-I232 PolarHBondContact O-N 3.11Å; I232-M234 VanDerWaalsContact C-N 3.31Å; I232-M234 PolarHBondContact O-N 3.44Å; I232-A235 WeakPolarHBondContact O-CA 3.49Å; I232-A235 WeakPolarHBondContact O-CB 3.4Å; I232-A235 PolarHBondContact O-N 2.94Å; I232-T236 HydrophobicContact CG2-CG2 3.9Å; I232-T236 PolarHBondContact O-N 3.36Å; I232-T236 PolarHBondContact O-OG1 3.07Å; I232-T236 VanDerWaalsContact O-OG1 3.09Å; I232-P240 HydrophobicContact CD1-CG 3.95Å; I232-P240 HydrophobicContact CG2-CG 4.13Å; I232-V264 HydrophobicContact CG2-CG2 4.05Å; I232-T282 HydrophobicContact CG1-CG2 4.32Å; I232-L286 HydrophobicContact CD1-CD1 3.7Å
233E97Very high94.5Very high5 Ų514.5 Ų14.52%0.0237%0.073CC..Hα-helixtrans-54-43.2175.9-174.6-170.6-171.300112.3I115 C160 W206 I229 T230 A235 G237I115-E233 HydrophobicContact CD1-CG 4.44Å; C160-E233 VanDerWaalsContact CB-CD 3.44Å; C160-E233 HydrophobicContact CB-CG 4.27Å; C160-E233 WeakPolarHBondContact CB-OE1 3.22Å; C160-E233 WeakPolarHBondContact CB-OE2 3.11Å; C160-E233 PolarHBondContact N-OE2 2.65Å; C160-E233 PolarHBondContact SG-OE2 2.7Å; W206-E233 HydrophobicContact CZ2-CG 4.32Å; W206-E233 WeakPolarHBondContact CZ2-OE1 3.06Å; W206-E233 PolarHBondContact NE1-OE2 2.79Å; I229-E233 PolarHBondContact O-N 3.02Å; T230-E233 WeakPolarHBondContact O-CB 3.32Å; T230-E233 PolarHBondContact O-N 3.27Å; E233-A235 VanDerWaalsContact C-N 3.28Å; E233-A235 PolarHBondContact O-N 3.04Å; E233-G237 CarbonylContact O-C 3.56Å; E233-G237 WeakPolarHBondContact O-CA 3.36Å; E233-G237 PolarHBondContact O-N 3.46Å
234M97.2Very high93.9Very high0 Ų016.9 Ų16.90%08%0.083CC..Hα-helixtrans-65.8-25.4174.3-76.1-171.8-76.100114.3L111 F129 I134 I137 L138 C160 T230 I232L111-M234 HydrophobicContact CD1-SD 4.18Å; F129-M234 HydrophobicContact CD2-CB 4.09Å; F129-M234 HydrophobicContact CD2-CG 4.37Å; F129-M234 VanDerWaalsContact CD2-O 3.27Å; F129-M234 WeakPolarHBondContact CD2-O 3.42Å; F129-M234 PolarHBondContact N-O 3.48Å; I134-M234 HydrophobicContact CD1-CB 4.11Å; I134-M234 HydrophobicContact CG1-CB 4.09Å; I134-M234 HydrophobicContact CG2-CE 4.16Å; I137-M234 HydrophobicContact CB-SD 4.19Å; I137-M234 HydrophobicContact CD1-SD 4.1Å; I137-M234 HydrophobicContact CG2-CE 4.31Å; I137-M234 HydrophobicContact CG2-SD 3.59Å; I137-M234 VanDerWaalsContact CG2-SD 3.59Å; L138-M234 HydrophobicContact CD1-CE 4.49Å; L138-M234 HydrophobicContact CD2-CE 3.65Å; L138-M234 HydrophobicContact CG-CE 3.82Å; C160-M234 WeakPolarHBondContact SG-CG 3.35Å; T230-M234 HydrophobicContact CG2-CE 4.39Å; T230-M234 WeakPolarHBondContact O-CG 3.44Å; T230-M234 PolarHBondContact O-N 3.13Å; I232-M234 VanDerWaalsContact C-N 3.31Å; I232-M234 PolarHBondContact O-N 3.44Å
235A96.8Very high92.9Very high0 Ų019.5 Ų19.50%011%0.105CC..Hα-helixtrans-86.5-42.7178.900000112G127 V128 I134 T231 I232 E233 I261 Y274 F278G127-A235 CarbonylContact C-O 3.5Å; G127-A235 VanDerWaalsContact CA-O 3.32Å; G127-A235 WeakPolarHBondContact CA-O 3.41Å; V128-A235 PolarHBondContact N-O 3.41Å; I134-A235 HydrophobicContact CD1-CB 3.9Å; T231-A235 PolarHBondContact O-N 3.03Å; I232-A235 WeakPolarHBondContact O-CA 3.49Å; I232-A235 WeakPolarHBondContact O-CB 3.4Å; I232-A235 PolarHBondContact O-N 2.94Å; E233-A235 VanDerWaalsContact C-N 3.28Å; E233-A235 PolarHBondContact O-N 3.04Å; A235-I261 HydrophobicContact CB-CD1 3.58Å; A235-I261 HydrophobicContact CB-CG1 4.41Å; A235-Y274 HydrophobicContact CB-CD1 4.23Å; A235-Y274 HydrophobicContact CB-CE1 3.65Å; A235-Y274 HydrophobicContact CB-CE2 4.39Å; A235-Y274 PolarHBondContact O-OH 3.42Å; A235-F278 HydrophobicContact CB-CE2 4.33Å; A235-F278 HydrophobicContact CB-CZ 3.94Å
236T94.5Very high91.9Very high7 Ų722.5 Ų22.54%0.04313%0.125CC..Hα-helixtrans-105.5-13.6-169.668.30000114I232 Q238 I261 V264 Y271I232-T236 HydrophobicContact CG2-CG2 3.9Å; I232-T236 PolarHBondContact O-N 3.36Å; I232-T236 PolarHBondContact O-OG1 3.07Å; I232-T236 VanDerWaalsContact O-OG1 3.09Å; T236-Q238 VanDerWaalsContact C-N 3.35Å; T236-Q238 PolarHBondContact OG1-N 3.35Å; T236-Q238 PolarHBondContact OG1-O 2.89Å; T236-I261 HydrophobicContact CG2-CD1 4.47Å; T236-I261 HydrophobicContact CG2-CG1 3.83Å; T236-V264 HydrophobicContact CG2-CB 4.01Å; T236-V264 HydrophobicContact CG2-CG1 4.21Å; T236-V264 HydrophobicContact CG2-CG2 4.09Å; T236-Y271 HydrophobicContact CG2-CD1 4.49Å; T236-Y271 HydrophobicContact CG2-CD2 4.47Å; T236-Y271 HydrophobicContact CG2-CE1 3.92Å; T236-Y271 HydrophobicContact CG2-CE2 3.9Å
237G93.6Very high90.9Very high13 Ų1326 Ų2613%0.13414%0.141CC..SBendtrans86.1-5.4-173.100000115.1E233E233-G237 CarbonylContact O-C 3.56Å; E233-G237 WeakPolarHBondContact O-CA 3.36Å; E233-G237 PolarHBondContact O-N 3.46Å
238Q92.5Very high90Very high92 Ų9230.5 Ų30.543%0.4316%0.161SC..SBendtrans-153.6154-177.661.8-177.5-9.300113.2T236 A242 V264T236-Q238 VanDerWaalsContact C-N 3.35Å; T236-Q238 PolarHBondContact OG1-N 3.35Å; T236-Q238 PolarHBondContact OG1-O 2.89Å; Q238-A242 HydrophobicContact CB-CB 4.15Å; Q238-V264 HydrophobicContact CG-CG1 3.91Å
239A93.1Very high89.1Confident1 Ų130.5 Ų30.51%0.00816%0.161CC..  trans-66150.9171.700000111.7C205 W206 I229 Y241 A242C205-A239 HydrophobicContact CB-CB 3.54Å; W206-A239 HydrophobicContact CD2-CB 4.26Å; W206-A239 HydrophobicContact CE3-CB 4.35Å; W206-A239 HydrophobicContact CH2-CB 3.84Å; W206-A239 HydrophobicContact CZ2-CB 3.74Å; W206-A239 HydrophobicContact CZ3-CB 4.13Å; I229-A239 HydrophobicContact CG2-CB 3.65Å; A239-Y241 PolarHBondContact O-N 2.89Å; A239-A242 HydrophobicContact CB-CB 4.39Å; A239-A242 VanDerWaalsContact O-CB 3.26Å; A239-A242 WeakPolarHBondContact O-CB 3.46Å; A239-A242 PolarHBondContact O-N 2.86Å
240P92.4Very high88.2Confident7 Ų731.7 Ų31.75%0.04517%0.167CC..THydrogen-bonded Turntrans-46.8-39.6-175.6-32.537.4000115.9I229 I232 P259 V264I229-P240 HydrophobicContact CD1-CG 4.11Å; I232-P240 HydrophobicContact CD1-CG 3.95Å; I232-P240 HydrophobicContact CG2-CG 4.13Å; P240-P259 HydrophobicContact CB-CB 3.68Å; P240-P259 HydrophobicContact CB-CG 4.26Å; P240-P259 HydrophobicContact CG-CB 3.72Å; P240-P259 HydrophobicContact CG-CG 4.04Å; P240-V264 HydrophobicContact CB-CG2 4.47Å
241Y89.5Confident87.2Confident22 Ų2233.9 Ų33.99%0.08618%0.178CC..THydrogen-bonded Turntrans-110.916-174.1-57.8-36.6000113.6A239 K243 F244 V249 L252 P259A239-Y241 PolarHBondContact O-N 2.89Å; Y241-K243 PolarHBondContact O-N 2.94Å; Y241-F244 HydrophobicContact CD1-CD2 4.19Å; Y241-F244 HydrophobicContact CD1-CE2 4.11Å; Y241-F244 HydrophobicContact CG-CD2 4.41Å; Y241-F244 PolarHBondContact O-N 2.92Å; Y241-V249 HydrophobicContact CD2-CG1 4.47Å; Y241-V249 WeakPolarHBondContact O-CG2 3.45Å; Y241-L252 HydrophobicContact CD1-CD1 4.18Å; Y241-L252 HydrophobicContact CD2-CB 4.16Å; Y241-L252 HydrophobicContact CE1-CB 4.4Å; Y241-L252 HydrophobicContact CE1-CD1 4.47Å; Y241-L252 HydrophobicContact CE2-CB 3.94Å; Y241-L252 HydrophobicContact CG-CB 4.49Å; Y241-L252 HydrophobicContact CG-CD1 4.4Å; Y241-P259 HydrophobicContact CE2-CG 4.47Å
242A86.5Confident86.7Confident14 Ų1435.2 Ų35.212%0.11619%0.185CC..THydrogen-bonded Turntrans-58.1-17.7-175.400000115.5Q238 A239 W351Q238-A242 HydrophobicContact CB-CB 4.15Å; A239-A242 HydrophobicContact CB-CB 4.39Å; A239-A242 VanDerWaalsContact O-CB 3.26Å; A239-A242 WeakPolarHBondContact O-CB 3.46Å; A239-A242 PolarHBondContact O-N 2.86Å; A242-W351 WeakPolarHBondContact O-CZ2 3.33Å; A242-W351 PolarHBondContact O-NE1 2.94Å
243K83.2Confident86.2Confident131 Ų13135.4 Ų35.457%0.5719%0.186SC*.THydrogen-bonded Turntrans-84.5-2.9175.969.2-173.6177.3-169.10114.9Y241Y241-K243 PolarHBondContact O-N 2.94Å
244F82.1Confident85.6Confident50 Ų5036.7 Ų36.722%0.21919%0.193CC..SBendtrans-111.9149.5-175-60.3-56.6000111.9Y241 K248 V249 L252 W351Y241-F244 HydrophobicContact CD1-CD2 4.19Å; Y241-F244 HydrophobicContact CD1-CE2 4.11Å; Y241-F244 HydrophobicContact CG-CD2 4.41Å; Y241-F244 PolarHBondContact O-N 2.92Å; F244-K248 HydrophobicContact CB-CB 4.14Å; F244-K248 HydrophobicContact CB-CD 4.25Å; F244-K248 HydrophobicContact CB-CG 4Å; F244-K248 HydrophobicContact CD1-CD 3.71Å; F244-K248 HydrophobicContact CD1-CG 4.24Å; F244-K248 HydrophobicContact CE1-CD 4.26Å; F244-K248 HydrophobicContact CG-CD 4.1Å; F244-K248 HydrophobicContact CG-CG 4.12Å; F244-V249 HydrophobicContact CB-CG2 3.88Å; F244-V249 VanDerWaalsContact O-CG2 3.32Å; F244-V249 WeakPolarHBondContact O-CG2 3.44Å; F244-L252 HydrophobicContact CD2-CD1 3.34Å; F244-L252 HydrophobicContact CE2-CD1 3.39Å; F244-L252 HydrophobicContact CG-CD1 4.05Å; F244-L252 HydrophobicContact CZ-CD1 4.12Å; F244-W351 WeakPolarHBondContact O-CH2 3.48Å; F244-W351 WeakPolarHBondContact O-CZ2 3.3Å
245A75.3Confident85Confident57 Ų5740.3 Ų40.347%0.47121%0.21SC..  trans-64.2153.8174.200000111.9M247 K248 V249A245-M247 PolarHBondContact O-N 3.5Å; A245-M247 VanDerWaalsContact O-N 3.16Å; A245-K248 WeakPolarHBondContact O-CA 3.14Å; A245-K248 PolarHBondContact O-N 2.82Å; A245-V249 PolarHBondContact O-N 3.29Å
246P75.1Confident84.6Confident63 Ų6343.9 Ų43.941%0.40923%0.229SC..Hα-helixtrans-45.1-49.5-174.8-31.733.9000115.8P204 K248 V249 L250 W351P204-P246 HydrophobicContact CG-CB 4.05Å; P204-P246 HydrophobicContact CG-CG 4.35Å; P246-K248 VanDerWaalsContact C-N 3.33Å; P246-K248 PolarHBondContact O-N 2.89Å; P246-V249 WeakPolarHBondContact O-CB 3.18Å; P246-V249 PolarHBondContact O-N 3.3Å; P246-L250 WeakPolarHBondContact O-CB 3.36Å; P246-L250 PolarHBondContact O-N 2.83Å; P246-W351 HydrophobicContact CG-CH2 4.45Å; P246-W351 HydrophobicContact CG-CZ3 4.02Å
247M73.4Confident84.4Confident79 Ų7950.8 Ų50.839%0.38927%0.266SS..Hα-helixtrans-64.1-36.8-179.9-69.7-59.6-72.200112.6A245 L250 M251 A568A245-M247 PolarHBondContact O-N 3.5Å; A245-M247 VanDerWaalsContact O-N 3.16Å; M247-L250 HydrophobicContact CE-CD2 4.33Å; M247-L250 WeakPolarHBondContact O-CB 3.36Å; M247-L250 PolarHBondContact O-N 2.89Å; M247-L250 HydrophobicContact SD-CD2 4.05Å; M247-M251 VanDerWaalsContact O-CG 3.32Å; M247-M251 WeakPolarHBondContact O-CG 3.32Å; M247-M251 PolarHBondContact O-N 3.47Å; M247-A568 HydrophobicContact CG-CB 4.47Å
248K78.4Confident84.3Confident95 Ų9552 Ų5241%0.41327%0.272SS..Hα-helixtrans-72.2-35.4175.9-176.9163.9-176.8164.90112F244 A245 P246 L252F244-K248 HydrophobicContact CB-CB 4.14Å; F244-K248 HydrophobicContact CB-CD 4.25Å; F244-K248 HydrophobicContact CB-CG 4Å; F244-K248 HydrophobicContact CD1-CD 3.71Å; F244-K248 HydrophobicContact CD1-CG 4.24Å; F244-K248 HydrophobicContact CE1-CD 4.26Å; F244-K248 HydrophobicContact CG-CD 4.1Å; F244-K248 HydrophobicContact CG-CG 4.12Å; A245-K248 WeakPolarHBondContact O-CA 3.14Å; A245-K248 PolarHBondContact O-N 2.82Å; P246-K248 VanDerWaalsContact C-N 3.33Å; P246-K248 PolarHBondContact O-N 2.89Å; K248-L252 HydrophobicContact CG-CD1 3.9Å; K248-L252 HydrophobicContact CG-CG 4.3Å; K248-L252 WeakPolarHBondContact O-CB 3.33Å; K248-L252 WeakPolarHBondContact O-CD1 3.46Å; K248-L252 WeakPolarHBondContact O-CG 3.45Å; K248-L252 PolarHBondContact O-N 3.13Å
249V80.6Confident84.3Confident0 Ų048 Ų480%025%0.254CS..Hα-helixtrans-62.1-45.8171.8177.60000110.8P204 C205 Y241 F244 A245 P246 T253P204-V249 HydrophobicContact CB-CB 4.14Å; P204-V249 HydrophobicContact CB-CG1 3.87Å; C205-V249 HydrophobicContact CB-CG1 4.27Å; Y241-V249 HydrophobicContact CD2-CG1 4.47Å; Y241-V249 WeakPolarHBondContact O-CG2 3.45Å; F244-V249 HydrophobicContact CB-CG2 3.88Å; F244-V249 VanDerWaalsContact O-CG2 3.32Å; F244-V249 WeakPolarHBondContact O-CG2 3.44Å; A245-V249 PolarHBondContact O-N 3.29Å; P246-V249 WeakPolarHBondContact O-CB 3.18Å; P246-V249 PolarHBondContact O-N 3.3Å; V249-T253 VanDerWaalsContact O-CB 3.27Å; V249-T253 WeakPolarHBondContact O-CB 3.17Å; V249-T253 PolarHBondContact O-N 3.12Å; V249-T253 PolarHBondContact O-OG1 3.05Å
250L77.5Confident84.3Confident28 Ų2851 Ų5115%0.14727%0.27CS..Hα-helixtrans-55.2-55.9174.317063.3000110.8M212 P246 M247 L252 T253 L254M212-L250 HydrophobicContact CB-CD1 3.46Å; M212-L250 VanDerWaalsContact CB-CD1 3.46Å; M212-L250 HydrophobicContact CG-CD1 3.6Å; M212-L250 HydrophobicContact SD-CD1 3.68Å; P246-L250 WeakPolarHBondContact O-CB 3.36Å; P246-L250 PolarHBondContact O-N 2.83Å; M247-L250 HydrophobicContact CE-CD2 4.33Å; M247-L250 WeakPolarHBondContact O-CB 3.36Å; M247-L250 PolarHBondContact O-N 2.89Å; M247-L250 HydrophobicContact SD-CD2 4.05Å; L250-L252 PolarHBondContact O-N 3.37Å; L250-T253 PolarHBondContact O-N 3.05Å; L250-L254 HydrophobicContact CD1-CD1 3.78Å; L250-L254 HydrophobicContact CD1-CG 4.17Å; L250-L254 HydrophobicContact CG-CD1 4.38Å; L250-L254 WeakPolarHBondContact O-CG 3.13Å; L250-L254 PolarHBondContact O-N 2.91Å
251M77.8Confident84.4Confident47 Ų4750.7 Ų50.723%0.23227%0.268CS..Hα-helixtrans-56.1-52.8178.9-71.517672.700112.7M247 T253 L254 Q255 F500M247-M251 VanDerWaalsContact O-CG 3.32Å; M247-M251 WeakPolarHBondContact O-CG 3.32Å; M247-M251 PolarHBondContact O-N 3.47Å; M251-T253 VanDerWaalsContact C-N 3.29Å; M251-T253 PolarHBondContact O-N 3.31Å; M251-L254 PolarHBondContact O-N 3.26Å; M251-Q255 VanDerWaalsContact O-CB 3.3Å; M251-Q255 WeakPolarHBondContact O-CB 3.41Å; M251-Q255 WeakPolarHBondContact O-CG 3.35Å; M251-Q255 PolarHBondContact O-N 3.04Å; M251-F500 HydrophobicContact CE-CD1 3.78Å; M251-F500 HydrophobicContact CE-CD2 3.62Å; M251-F500 HydrophobicContact CE-CE1 3.65Å; M251-F500 HydrophobicContact CE-CE2 3.48Å; M251-F500 VanDerWaalsContact CE-CE2 3.48Å; M251-F500 HydrophobicContact CE-CG 3.77Å; M251-F500 HydrophobicContact CE-CZ 3.5Å
252L86.7Confident84.6Confident28 Ų2852.6 Ų52.615%0.14728%0.28CS..Hα-helixtrans-59.9-39.4-179.2-69.7168.6000112.1Y241 F244 K248 L250 N256Y241-L252 HydrophobicContact CD1-CD1 4.18Å; Y241-L252 HydrophobicContact CD2-CB 4.16Å; Y241-L252 HydrophobicContact CE1-CB 4.4Å; Y241-L252 HydrophobicContact CE1-CD1 4.47Å; Y241-L252 HydrophobicContact CE2-CB 3.94Å; Y241-L252 HydrophobicContact CG-CB 4.49Å; Y241-L252 HydrophobicContact CG-CD1 4.4Å; F244-L252 HydrophobicContact CD2-CD1 3.34Å; F244-L252 HydrophobicContact CE2-CD1 3.39Å; F244-L252 HydrophobicContact CG-CD1 4.05Å; F244-L252 HydrophobicContact CZ-CD1 4.12Å; K248-L252 HydrophobicContact CG-CD1 3.9Å; K248-L252 HydrophobicContact CG-CG 4.3Å; K248-L252 WeakPolarHBondContact O-CB 3.33Å; K248-L252 WeakPolarHBondContact O-CD1 3.46Å; K248-L252 WeakPolarHBondContact O-CG 3.45Å; K248-L252 PolarHBondContact O-N 3.13Å; L250-L252 PolarHBondContact O-N 3.37Å; L252-N256 WeakPolarHBondContact CD2-ND2 3.27Å; L252-N256 WeakPolarHBondContact O-CB 3.42Å; L252-N256 PolarHBondContact O-N 3.25Å; L252-N256 VanDerWaalsContact O-N 3.1Å
253T86.8Confident84.8Confident4 Ų454.2 Ų54.23%0.02529%0.29CS..Hα-helixtrans-68.9-34.1179.5-56.70000112.3M212 W225 V249 L250 M251 K288M212-T253 HydrophobicContact CE-CG2 3.8Å; M212-T253 HydrophobicContact SD-CG2 3.57Å; M212-T253 VanDerWaalsContact SD-CG2 3.57Å; W225-T253 HydrophobicContact CZ2-CG2 3.77Å; V249-T253 VanDerWaalsContact O-CB 3.27Å; V249-T253 WeakPolarHBondContact O-CB 3.17Å; V249-T253 PolarHBondContact O-N 3.12Å; V249-T253 PolarHBondContact O-OG1 3.05Å; L250-T253 PolarHBondContact O-N 3.05Å; M251-T253 VanDerWaalsContact C-N 3.29Å; M251-T253 PolarHBondContact O-N 3.31Å; T253-K288 WeakPolarHBondContact O-CE 3.5Å; T253-K288 PolarHBondContact O-NZ 2.86Å
254L83.9Confident85Confident32 Ų3248.5 Ų48.517%0.16827%0.266CS..Hα-helixtrans-78.2-47.6176.7-65-175.2000112.1P209 M212 Q213 L250 M251 K288P209-L254 HydrophobicContact CB-CD2 3.74Å; P209-L254 WeakPolarHBondContact O-CD2 3.43Å; M212-L254 HydrophobicContact CB-CD2 3.95Å; M212-L254 HydrophobicContact CB-CG 4.49Å; M212-L254 HydrophobicContact SD-CD2 4.33Å; M212-L254 HydrophobicContact SD-CG 4.47Å; Q213-L254 HydrophobicContact CG-CD1 4.27Å; Q213-L254 HydrophobicContact CG-CD2 3.76Å; L250-L254 HydrophobicContact CD1-CD1 3.78Å; L250-L254 HydrophobicContact CD1-CG 4.17Å; L250-L254 HydrophobicContact CG-CD1 4.38Å; L250-L254 WeakPolarHBondContact O-CG 3.13Å; L250-L254 PolarHBondContact O-N 2.91Å; M251-L254 PolarHBondContact O-N 3.26Å; L254-K288 PolarHBondContact O-NZ 2.62Å
255Q85.6Confident85.3Confident77 Ų7747.8 Ų47.836%0.3627%0.269SS..Hα-helixtrans-84.8-42.3-166.8-66.6167.3-11.300114.2M251M251-Q255 VanDerWaalsContact O-CB 3.3Å; M251-Q255 WeakPolarHBondContact O-CB 3.41Å; M251-Q255 WeakPolarHBondContact O-CG 3.35Å; M251-Q255 PolarHBondContact O-N 3.04Å
256N88Confident85.8Confident75 Ų7550.7 Ų50.740%0.40128%0.282SS..SBendtrans-80.9169.3-175.9-63.81.8000111.4L252 K288L252-N256 WeakPolarHBondContact CD2-ND2 3.27Å; L252-N256 WeakPolarHBondContact O-CB 3.42Å; L252-N256 PolarHBondContact O-N 3.25Å; L252-N256 VanDerWaalsContact O-N 3.1Å; N256-K288 VanDerWaalsContact O-CE 3.31Å; N256-K288 WeakPolarHBondContact O-CE 3.24Å; N256-K288 PolarHBondContact O-NZ 2.92Å
257D89.6Confident86.4Confident151 Ų15151.2 Ų51.281%0.80728%0.284SS*.PPolyproline II helixtrans-54.8155.5162-81.1-44.8000111.8
258S91.7Very high87Confident39 Ų3955 Ų5527%0.27331%0.306SS..PPolyproline II helixtrans-57.2136.1176.4-66.70000111.4L286 K288S258-L286 WeakPolarHBondContact CB-O 3.27Å; S258-L286 PolarHBondContact OG-O 3.41Å; S258-K288 WeakPolarHBondContact OG-CD 3.36Å; S258-K288 WeakPolarHBondContact OG-CE 3.41Å
259P93.4Very high87.4Confident8 Ų856 Ų565%0.05232%0.315CS..PPolyproline II helixtrans-66.7155.2-177.328.2-35000111.8I229 P240 Y241 L286I229-P259 HydrophobicContact CD1-CG 3.84Å; P240-P259 HydrophobicContact CB-CB 3.68Å; P240-P259 HydrophobicContact CB-CG 4.26Å; P240-P259 HydrophobicContact CG-CB 3.72Å; P240-P259 HydrophobicContact CG-CG 4.04Å; Y241-P259 HydrophobicContact CE2-CG 4.47Å; P259-L286 HydrophobicContact CG-CD1 4.49Å; P259-L286 WeakPolarHBondContact O-CD1 3.5Å
260D93.7Very high87.9Confident65 Ų6556.5 Ų56.535%0.34832%0.318SS..  trans-125.8-170.7171.370.81000110.9D262 S263D260-D262 PolarHBondContact OD1-N 2.92Å; D260-S263 PolarHBondContact N-OG 2.87Å; D260-S263 VanDerWaalsContact O-CB 3.31Å; D260-S263 WeakPolarHBondContact O-CB 3.43Å; D260-S263 PolarHBondContact O-N 2.96Å; D260-S263 PolarHBondContact O-OG 3.3Å; D260-S263 PolarHBondContact OD1-N 2.84Å; D260-S263 PolarHBondContact OD1-OG 3.07Å
261I94.4Very high88.7Confident0 Ų055.5 Ų55.50%031%0.312CS..SBendtrans-69.9-32.8178.6-170.9170.2000112.7A235 T236 S263 V264 Y271 Y274 F278A235-I261 HydrophobicContact CB-CD1 3.58Å; A235-I261 HydrophobicContact CB-CG1 4.41Å; T236-I261 HydrophobicContact CG2-CD1 4.47Å; T236-I261 HydrophobicContact CG2-CG1 3.83Å; I261-S263 VanDerWaalsContact C-N 3.25Å; I261-S263 PolarHBondContact O-N 3.15Å; I261-V264 PolarHBondContact O-N 3.42Å; I261-Y271 HydrophobicContact CD1-CD1 4.32Å; I261-Y271 HydrophobicContact CD1-CG 3.96Å; I261-Y271 HydrophobicContact CG1-CD1 4.41Å; I261-Y271 HydrophobicContact CG1-CD2 3.85Å; I261-Y271 HydrophobicContact CG1-CG 3.77Å; I261-Y271 VanDerWaalsContact O-CD2 3.28Å; I261-Y271 WeakPolarHBondContact O-CD2 3.41Å; I261-Y271 WeakPolarHBondContact O-CE2 3.43Å; I261-Y274 HydrophobicContact CD1-CD1 4.02Å; I261-Y274 HydrophobicContact CD1-CD2 3.57Å; I261-Y274 HydrophobicContact CD1-CE1 4.48Å; I261-Y274 HydrophobicContact CD1-CE2 4.05Å; I261-Y274 HydrophobicContact CD1-CG 3.54Å; I261-F278 HydrophobicContact CB-CE1 4.06Å; I261-F278 HydrophobicContact CD1-CE1 3.69Å; I261-F278 HydrophobicContact CD1-CZ 3.93Å; I261-F278 HydrophobicContact CG1-CE1 4.38Å; I261-F278 HydrophobicContact CG2-CE1 4.35Å
262D93.1Very high89.4Confident61 Ų6158.9 Ų58.933%0.32633%0.33SS..G310 helixtrans-78.6-13.3-179.2-58.2-30.3000111.8D260 V264 A265 R279D260-D262 PolarHBondContact OD1-N 2.92Å; D262-V264 PolarHBondContact O-N 3.26Å; D262-V264 VanDerWaalsContact O-N 3.15Å; D262-A265 WeakPolarHBondContact O-CB 3.46Å; D262-A265 PolarHBondContact O-N 3.02Å; D262-R279 IonicContact OD1-CZ 3.48Å; D262-R279 IonicContact OD1-NH1 3.61Å; D262-R279 IonicContact OD1-NH2 3.83Å; D262-R279 PolarHBondContact OD1-NH2 3.28Å; D262-R279 IonicContact OD2-CZ 2.62Å; D262-R279 IonicContact OD2-NH1 2.74Å; D262-R279 PolarHBondContact OD2-NH1 3.37Å; D262-R279 IonicContact OD2-NH2 2.71Å; D262-R279 PolarHBondContact OD2-NH2 3.43Å; D262-R279 VanDerWaalsContact OD2-NH2 3.13Å
263S90.2Very high89.7Confident48 Ų4863.7 Ų63.734%0.33636%0.356SS..G310 helixtrans-60.5-18.7169.9-57.20000113.7D260 I261D260-S263 PolarHBondContact N-OG 2.87Å; D260-S263 VanDerWaalsContact O-CB 3.31Å; D260-S263 WeakPolarHBondContact O-CB 3.43Å; D260-S263 PolarHBondContact O-N 2.96Å; D260-S263 PolarHBondContact O-OG 3.3Å; D260-S263 PolarHBondContact OD1-N 2.84Å; D260-S263 PolarHBondContact OD1-OG 3.07Å; I261-S263 VanDerWaalsContact C-N 3.25Å; I261-S263 PolarHBondContact O-N 3.15Å
264V87.9Confident90.1Very high11 Ų1164 Ų647%0.06736%0.357CS..G310 helixtrans-92.2-14.6171.6-175.30000112I232 T236 Q238 P240 I261 D262 Y271I232-V264 HydrophobicContact CG2-CG2 4.05Å; T236-V264 HydrophobicContact CG2-CB 4.01Å; T236-V264 HydrophobicContact CG2-CG1 4.21Å; T236-V264 HydrophobicContact CG2-CG2 4.09Å; Q238-V264 HydrophobicContact CG-CG1 3.91Å; P240-V264 HydrophobicContact CB-CG2 4.47Å; I261-V264 PolarHBondContact O-N 3.42Å; D262-V264 PolarHBondContact O-N 3.26Å; D262-V264 VanDerWaalsContact O-N 3.15Å; V264-Y271 HydrophobicContact CB-CE2 4.25Å
265A88.4Confident90.6Very high35 Ų3563.8 Ų63.829%0.28936%0.363SS..  trans-67.5140.1-170.500000112.2D262 Q270 Y271D262-A265 WeakPolarHBondContact O-CB 3.46Å; D262-A265 PolarHBondContact O-N 3.02Å; A265-Q270 VanDerWaalsContact CA-OE1 3.26Å; A265-Q270 HydrophobicContact CB-CB 4.01Å; A265-Y271 HydrophobicContact CB-CD2 4.13Å; A265-Y271 HydrophobicContact CB-CE2 3.96Å
266T86.7Confident91.1Very high119 Ų11967.1 Ų67.173%0.7338%0.378SS*.SBendtrans-105.6-15.4173.356.10000112Q270T266-Q270 PolarHBondContact OG1-OE1 3.12Å
267V87.4Confident91.6Very high74 Ų7467.9 Ų67.945%0.44838%0.377SS..SBendtrans-132.5150.5175.1-60.70000110.9N269 Q270V267-N269 PolarHBondContact O-N 3.36Å; V267-Q270 HydrophobicContact CG2-CB 3.8Å; V267-Q270 HydrophobicContact CG2-CG 4.08Å; V267-Q270 WeakPolarHBondContact O-CB 3.28Å; V267-Q270 PolarHBondContact O-N 2.74Å
268N85.4Confident92Very high159 Ų15960.7 Ų60.785%0.8534%0.339SS*.THydrogen-bonded Turntrans-59139.4177.8-68.3-22.6000110.8Q270N268-Q270 PolarHBondContact O-N 2.91Å
269N86.2Confident92.2Very high115 Ų11562 Ų6262%0.61534%0.338SS*.THydrogen-bonded Turntrans6117.4178.5-60.3-36.1000115.9V267 Y271 L272V267-N269 PolarHBondContact O-N 3.36Å; N269-Y271 PolarHBondContact O-N 2.94Å; N269-Y271 VanDerWaalsContact O-N 3.12Å; N269-L272 HydrophobicContact CB-CB 4.15Å; N269-L272 HydrophobicContact CB-CD2 4.32Å; N269-L272 VanDerWaalsContact O-CB 3.27Å; N269-L272 WeakPolarHBondContact O-CB 3.41Å; N269-L272 PolarHBondContact O-N 3.05Å; N269-L272 VanDerWaalsContact O-N 3.09Å
270Q91.5Very high92.4Very high11 Ų1166.9 Ų66.95%0.05136%0.359CS..THydrogen-bonded Turntrans-50.8-38.5179.9-171.8168.3-7.400113.7T125 Y126 A265 T266 V267 N268T125-Q270 HydrophobicContact CG2-CG 4.5Å; T125-Q270 WeakPolarHBondContact O-CG 3.14Å; T125-Q270 PolarHBondContact O-NE2 3.26Å; Y126-Q270 WeakPolarHBondContact CD1-O 3.44Å; A265-Q270 VanDerWaalsContact CA-OE1 3.26Å; A265-Q270 HydrophobicContact CB-CB 4.01Å; T266-Q270 PolarHBondContact OG1-OE1 3.12Å; V267-Q270 HydrophobicContact CG2-CB 3.8Å; V267-Q270 HydrophobicContact CG2-CG 4.08Å; V267-Q270 WeakPolarHBondContact O-CB 3.28Å; V267-Q270 PolarHBondContact O-N 2.74Å; N268-Q270 PolarHBondContact O-N 2.91Å
271Y93.8Very high92.6Very high7 Ų763.8 Ų63.83%0.02734%0.342CS..THydrogen-bonded Turntrans-111.832.2-178.7-53.4-63.2000113.1T236 I261 V264 A265 N269 N273 Y274 R279T236-Y271 HydrophobicContact CG2-CD1 4.49Å; T236-Y271 HydrophobicContact CG2-CD2 4.47Å; T236-Y271 HydrophobicContact CG2-CE1 3.92Å; T236-Y271 HydrophobicContact CG2-CE2 3.9Å; I261-Y271 HydrophobicContact CD1-CD1 4.32Å; I261-Y271 HydrophobicContact CD1-CG 3.96Å; I261-Y271 HydrophobicContact CG1-CD1 4.41Å; I261-Y271 HydrophobicContact CG1-CD2 3.85Å; I261-Y271 HydrophobicContact CG1-CG 3.77Å; I261-Y271 VanDerWaalsContact O-CD2 3.28Å; I261-Y271 WeakPolarHBondContact O-CD2 3.41Å; I261-Y271 WeakPolarHBondContact O-CE2 3.43Å; V264-Y271 HydrophobicContact CB-CE2 4.25Å; A265-Y271 HydrophobicContact CB-CD2 4.13Å; A265-Y271 HydrophobicContact CB-CE2 3.96Å; N269-Y271 PolarHBondContact O-N 2.94Å; N269-Y271 VanDerWaalsContact O-N 3.12Å; Y271-N273 PolarHBondContact O-N 3.15Å; Y271-Y274 HydrophobicContact CD1-CD2 4.31Å; Y271-Y274 HydrophobicContact CD1-CE2 4.02Å; Y271-Y274 PolarHBondContact O-N 3.44Å; Y271-Y274 VanDerWaalsContact O-N 3.13Å; Y271-R279 PolarHBondContact O-NH2 3.39Å
272L92.5Very high92.8Very high118 Ų11864 Ų6462%0.61834%0.343SS*.THydrogen-bonded Turntrans-61-27.2178.6-173.965000113.2N269 Y274N269-L272 HydrophobicContact CB-CB 4.15Å; N269-L272 HydrophobicContact CB-CD2 4.32Å; N269-L272 VanDerWaalsContact O-CB 3.27Å; N269-L272 WeakPolarHBondContact O-CB 3.41Å; N269-L272 PolarHBondContact O-N 3.05Å; N269-L272 VanDerWaalsContact O-N 3.09Å; L272-Y274 PolarHBondContact O-N 2.89Å
273N92.6Very high93Very high128 Ų12868.3 Ų68.368%0.68436%0.359SS*.THydrogen-bonded Turntrans-67.7-16.8177.1-68.5-29.3000113.8Y271Y271-N273 PolarHBondContact O-N 3.15Å
274Y95.7Very high93.3Very high11 Ų1166.9 Ų66.94%0.04335%0.35CS..SBendtrans-89.6107.9175.7-63.1-90.6000109.3G127 F129 E131 I134 A235 I261 Y271 L272 F278 R279G127-Y274 WeakPolarHBondContact CA-OH 3.5Å; F129-Y274 WeakPolarHBondContact O-CE1 3.39Å; F129-Y274 PolarHBondContact O-OH 2.82Å; E131-Y274 HydrophobicContact CG-CD1 4Å; I134-Y274 HydrophobicContact CD1-CE1 3.9Å; A235-Y274 HydrophobicContact CB-CD1 4.23Å; A235-Y274 HydrophobicContact CB-CE1 3.65Å; A235-Y274 HydrophobicContact CB-CE2 4.39Å; A235-Y274 PolarHBondContact O-OH 3.42Å; I261-Y274 HydrophobicContact CD1-CD1 4.02Å; I261-Y274 HydrophobicContact CD1-CD2 3.57Å; I261-Y274 HydrophobicContact CD1-CE1 4.48Å; I261-Y274 HydrophobicContact CD1-CE2 4.05Å; I261-Y274 HydrophobicContact CD1-CG 3.54Å; Y271-Y274 HydrophobicContact CD1-CD2 4.31Å; Y271-Y274 HydrophobicContact CD1-CE2 4.02Å; Y271-Y274 PolarHBondContact O-N 3.44Å; Y271-Y274 VanDerWaalsContact O-N 3.13Å; L272-Y274 PolarHBondContact O-N 2.89Å; Y274-F278 HydrophobicContact CD1-CD2 4.01Å; Y274-F278 AromaticContact CD1-CE2 3.99Å; Y274-F278 HydrophobicContact CD1-CE2 3.99Å; Y274-F278 HydrophobicContact CD1-CG 4.3Å; Y274-F278 HydrophobicContact CD1-CZ 4.28Å; Y274-F278 HydrophobicContact CE1-CE2 4.49Å; Y274-R279 PolarHBondContact O-NE 3.32Å
275G95.8Very high93.8Very high28 Ų2866.4 Ų66.429%0.28935%0.347SS..  trans-80.5176.4-164.300000114.3E131 K277 F278 R279E131-G275 PolarHBondContact OE1-N 3.1Å; G275-K277 PolarHBondContact O-N 3.42Å; G275-F278 WeakPolarHBondContact O-CB 3.41Å; G275-F278 PolarHBondContact O-N 3.06Å; G275-R279 PolarHBondContact O-N 3.1Å; G275-R279 VanDerWaalsContact O-N 3.12Å
276H96.1Very high94.2Very high147 Ų14764.9 Ų64.968%0.68133%0.334SS*.Hα-helixtrans-52.5-31.9179.3174.4-104.1000113.8K280H276-K280 VanDerWaalsContact O-CB 3.24Å; H276-K280 WeakPolarHBondContact O-CB 3.36Å; H276-K280 PolarHBondContact O-N 3.2Å
277K97.2Very high94.6Very high90 Ų9062.3 Ų62.339%0.39132%0.315SS..Hα-helixtrans-68.1-43177.8-69.1-178178.3174.90112.8G275 F281 Y304 S307G275-K277 PolarHBondContact O-N 3.42Å; K277-F281 PolarHBondContact O-N 3.31Å; K277-Y304 HydrophobicContact CB-CD2 4Å; K277-S307 WeakPolarHBondContact CD-OG 3.49Å; K277-S307 PolarHBondContact NZ-OG 2.96Å
278F97.9Very high94.7Very high0 Ų061.9 Ų61.90%031%0.307CS..Hα-helixtrans-61.4-50.3173.4174.4-79.8000110.1E131 I134 T231 A235 I261 Y274 G275 K280 F281 T282 Y304E131-F278 HydrophobicContact CG-CB 4.48Å; E131-F278 WeakPolarHBondContact OE1-CB 3.31Å; I134-F278 HydrophobicContact CD1-CE2 4.12Å; I134-F278 HydrophobicContact CG2-CE2 4.26Å; T231-F278 HydrophobicContact CG2-CD2 4.4Å; T231-F278 HydrophobicContact CG2-CE2 3.62Å; T231-F278 HydrophobicContact CG2-CZ 3.8Å; A235-F278 HydrophobicContact CB-CE2 4.33Å; A235-F278 HydrophobicContact CB-CZ 3.94Å; I261-F278 HydrophobicContact CB-CE1 4.06Å; I261-F278 HydrophobicContact CD1-CE1 3.69Å; I261-F278 HydrophobicContact CD1-CZ 3.93Å; I261-F278 HydrophobicContact CG1-CE1 4.38Å; I261-F278 HydrophobicContact CG2-CE1 4.35Å; Y274-F278 HydrophobicContact CD1-CD2 4.01Å; Y274-F278 AromaticContact CD1-CE2 3.99Å; Y274-F278 HydrophobicContact CD1-CE2 3.99Å; Y274-F278 HydrophobicContact CD1-CG 4.3Å; Y274-F278 HydrophobicContact CD1-CZ 4.28Å; Y274-F278 HydrophobicContact CE1-CE2 4.49Å; G275-F278 WeakPolarHBondContact O-CB 3.41Å; G275-F278 PolarHBondContact O-N 3.06Å; F278-K280 VanDerWaalsContact C-N 3.29Å; F278-K280 PolarHBondContact O-N 2.85Å; F278-F281 WeakPolarHBondContact O-CA 3.37Å; F278-F281 WeakPolarHBondContact O-CB 3.5Å; F278-F281 PolarHBondContact O-N 3.28Å; F278-T282 HydrophobicContact CD1-CG2 4.16Å; F278-T282 HydrophobicContact CE1-CG2 3.68Å; F278-T282 HydrophobicContact CZ-CG2 3.96Å; F278-T282 PolarHBondContact O-N 2.69Å; F278-T282 PolarHBondContact O-OG1 3.29Å; F278-Y304 HydrophobicContact CB-CD2 4.17Å; F278-Y304 HydrophobicContact CB-CE2 3.81Å; F278-Y304 HydrophobicContact CD2-CE1 4.29Å; F278-Y304 HydrophobicContact CD2-CE2 4.19Å; F278-Y304 AromaticContact CD2-CZ 3.76Å
279R97.4Very high94.9Very high66 Ų6658 Ų5825%0.24929%0.286CS..Hα-helixtrans-61.9-35.1-179-65.7168.8177.1-90.9-1112.5D262 Y271 Y274 G275 T282 K283D262-R279 IonicContact OD1-CZ 3.48Å; D262-R279 IonicContact OD1-NH1 3.61Å; D262-R279 IonicContact OD1-NH2 3.83Å; D262-R279 PolarHBondContact OD1-NH2 3.28Å; D262-R279 IonicContact OD2-CZ 2.62Å; D262-R279 IonicContact OD2-NH1 2.74Å; D262-R279 PolarHBondContact OD2-NH1 3.37Å; D262-R279 IonicContact OD2-NH2 2.71Å; D262-R279 PolarHBondContact OD2-NH2 3.43Å; D262-R279 VanDerWaalsContact OD2-NH2 3.13Å; Y271-R279 PolarHBondContact O-NH2 3.39Å; Y274-R279 PolarHBondContact O-NE 3.32Å; G275-R279 PolarHBondContact O-N 3.1Å; G275-R279 VanDerWaalsContact O-N 3.12Å; R279-T282 PolarHBondContact O-OG1 3.23Å; R279-K283 VanDerWaalsContact O-CB 3.27Å; R279-K283 WeakPolarHBondContact O-CB 3.39Å; R279-K283 PolarHBondContact O-N 3.1Å; R279-K283 VanDerWaalsContact O-N 3.07Å
280K97.2Very high95.1Very high112 Ų11253.7 Ų53.749%0.48726%0.264SS..Hα-helixtrans-68.6-36.4171.5-174.4173.3178.8170.30112.7H276 F278 A284H276-K280 VanDerWaalsContact O-CB 3.24Å; H276-K280 WeakPolarHBondContact O-CB 3.36Å; H276-K280 PolarHBondContact O-N 3.2Å; F278-K280 VanDerWaalsContact C-N 3.29Å; F278-K280 PolarHBondContact O-N 2.85Å; K280-A284 WeakPolarHBondContact O-CB 3.31Å; K280-A284 PolarHBondContact O-N 2.77Å; K280-A284 VanDerWaalsContact O-N 3.12Å
281F98.3Very high95Very high0 Ų055.5 Ų55.50%029%0.286CS..Hα-helixtrans-67-50.6175.8179-89.4000111.3L138 L142 L227 T231 K277 F278 K283 A284 C285 L299 H302 Y304 I305L138-F281 HydrophobicContact CD1-CD1 4.29Å; L138-F281 HydrophobicContact CD1-CE1 3.62Å; L138-F281 HydrophobicContact CD1-CZ 3.97Å; L138-F281 HydrophobicContact CD2-CE1 4.39Å; L138-F281 HydrophobicContact CD2-CZ 4.5Å; L142-F281 HydrophobicContact CD1-CE2 4.13Å; L142-F281 HydrophobicContact CD1-CZ 4.11Å; L227-F281 HydrophobicContact CD2-CZ 4.41Å; T231-F281 HydrophobicContact CG2-CD1 4.22Å; T231-F281 HydrophobicContact CG2-CE1 4.27Å; K277-F281 PolarHBondContact O-N 3.31Å; F278-F281 WeakPolarHBondContact O-CA 3.37Å; F278-F281 WeakPolarHBondContact O-CB 3.5Å; F278-F281 PolarHBondContact O-N 3.28Å; F281-K283 VanDerWaalsContact C-N 3.35Å; F281-K283 PolarHBondContact O-N 2.7Å; F281-A284 PolarHBondContact O-N 3.02Å; F281-A284 VanDerWaalsContact O-N 3.15Å; F281-C285 PolarHBondContact O-N 3.27Å; F281-C285 PolarHBondContact O-SG 3.27Å; F281-C285 VanDerWaalsContact O-SG 3.39Å; F281-L299 HydrophobicContact CD2-CD2 3.98Å; F281-L299 HydrophobicContact CE2-CB 4.07Å; F281-L299 HydrophobicContact CE2-CD2 3.72Å; F281-L299 HydrophobicContact CE2-CG 4.38Å; F281-L299 HydrophobicContact CZ-CD2 4.35Å; F281-H302 HydrophobicContact CD2-CB 4.1Å; F281-H302 AromaticContact CD2-CG 3.98Å; F281-H302 AromaticContact CD2-ND1 3.56Å; F281-Y304 HydrophobicContact CB-CD1 3.91Å; F281-Y304 HydrophobicContact CB-CG 4.11Å; F281-Y304 HydrophobicContact CD1-CD1 4.22Å; F281-Y304 HydrophobicContact CD2-CD1 4.1Å; F281-Y304 AromaticContact CG-CD1 3.82Å; F281-Y304 HydrophobicContact CG-CD1 3.82Å; F281-Y304 HydrophobicContact CG-CG 4.46Å; F281-I305 HydrophobicContact CD2-CD1 4.47Å; F281-I305 HydrophobicContact CD2-CG1 4.27Å; F281-I305 HydrophobicContact CE2-CD1 3.92Å; F281-I305 HydrophobicContact CE2-CG1 3.81Å; F281-I305 HydrophobicContact CZ-CD1 4.26Å
282T97.7Very high95Very high4 Ų461 Ų613%0.02531%0.312CS..Hα-helixtrans-61.6-41.9178.3540000111.8T231 I232 F278 R279 A284 C285 L286T231-T282 HydrophobicContact CG2-CG2 3.63Å; I232-T282 HydrophobicContact CG1-CG2 4.32Å; F278-T282 HydrophobicContact CD1-CG2 4.16Å; F278-T282 HydrophobicContact CE1-CG2 3.68Å; F278-T282 HydrophobicContact CZ-CG2 3.96Å; F278-T282 PolarHBondContact O-N 2.69Å; F278-T282 PolarHBondContact O-OG1 3.29Å; R279-T282 PolarHBondContact O-OG1 3.23Å; T282-A284 VanDerWaalsContact C-N 3.33Å; T282-A284 PolarHBondContact O-N 2.98Å; T282-C285 WeakPolarHBondContact O-CB 3.46Å; T282-C285 PolarHBondContact O-N 3.46Å; T282-C285 VanDerWaalsContact O-N 3.1Å; T282-L286 WeakPolarHBondContact O-CB 3.45Å; T282-L286 WeakPolarHBondContact O-CG 3.34Å; T282-L286 PolarHBondContact O-N 3.41Å
283K97.1Very high95.2Very high152 Ų15255.5 Ų55.566%0.66128%0.283SS*.Hα-helixtrans-60.3-38174.4-174.7167.5-176.2166.30113.3R279 F281 C285 L286R279-K283 VanDerWaalsContact O-CB 3.27Å; R279-K283 WeakPolarHBondContact O-CB 3.39Å; R279-K283 PolarHBondContact O-N 3.1Å; R279-K283 VanDerWaalsContact O-N 3.07Å; F281-K283 VanDerWaalsContact C-N 3.35Å; F281-K283 PolarHBondContact O-N 2.7Å; K283-C285 VanDerWaalsContact C-N 3.26Å; K283-C285 PolarHBondContact O-N 3.26Å; K283-L286 PolarHBondContact O-N 2.72Å
284A97.2Very high95.3Very high18 Ų1851.9 Ų51.915%0.14926%0.263CS..Hα-helixtrans-68.9-23.9176.400000113.4K280 F281 T282 L294 L299K280-A284 WeakPolarHBondContact O-CB 3.31Å; K280-A284 PolarHBondContact O-N 2.77Å; K280-A284 VanDerWaalsContact O-N 3.12Å; F281-A284 PolarHBondContact O-N 3.02Å; F281-A284 VanDerWaalsContact O-N 3.15Å; T282-A284 VanDerWaalsContact C-N 3.33Å; T282-A284 PolarHBondContact O-N 2.98Å; A284-L294 HydrophobicContact CB-CD1 3.99Å; A284-L294 HydrophobicContact CB-CG 4.34Å; A284-L299 HydrophobicContact CB-CD2 4.47Å
285C97.7Very high95.4Very high0 Ų053 Ų530%027%0.273CS..Hα-helixtrans-82.8-41.1172.9-62.90000112.3I224 F281 T282 K283 M287 R293I224-C285 HydrophobicContact CG2-CB 4.18Å; I224-C285 WeakPolarHBondContact O-CB 3.21Å; F281-C285 PolarHBondContact O-N 3.27Å; F281-C285 PolarHBondContact O-SG 3.27Å; F281-C285 VanDerWaalsContact O-SG 3.39Å; T282-C285 WeakPolarHBondContact O-CB 3.46Å; T282-C285 PolarHBondContact O-N 3.46Å; T282-C285 VanDerWaalsContact O-N 3.1Å; K283-C285 VanDerWaalsContact C-N 3.26Å; K283-C285 PolarHBondContact O-N 3.26Å; C285-M287 PolarHBondContact O-N 2.8Å; C285-R293 VanDerWaalsContact O-CD 3.28Å; C285-R293 WeakPolarHBondContact O-CD 3.49Å; C285-R293 WeakPolarHBondContact O-CG 3.21Å
286L96.9Very high95.5Very high4 Ų451.8 Ų51.82%0.02126%0.26CS..  trans-94.738.3-170.8-60.8172.1000113.1W225 I229 I232 S258 P259 T282 K283W225-L286 HydrophobicContact CD2-CD2 3.71Å; W225-L286 HydrophobicContact CE3-CB 4.37Å; W225-L286 HydrophobicContact CE3-CD2 4Å; W225-L286 HydrophobicContact CG-CD2 4.05Å; W225-L286 HydrophobicContact CH2-CD2 4.49Å; W225-L286 HydrophobicContact CZ2-CD2 4.25Å; W225-L286 HydrophobicContact CZ3-CB 4.24Å; W225-L286 HydrophobicContact CZ3-CD2 4.38Å; W225-L286 WeakPolarHBondContact CZ3-O 3.21Å; W225-L286 WeakPolarHBondContact O-CD2 3.44Å; I229-L286 HydrophobicContact CD1-CD1 4.34Å; I229-L286 HydrophobicContact CD1-CD2 3.71Å; I229-L286 HydrophobicContact CG1-CD2 3.96Å; I232-L286 HydrophobicContact CD1-CD1 3.7Å; S258-L286 WeakPolarHBondContact CB-O 3.27Å; S258-L286 PolarHBondContact OG-O 3.41Å; P259-L286 HydrophobicContact CG-CD1 4.49Å; P259-L286 WeakPolarHBondContact O-CD1 3.5Å; T282-L286 WeakPolarHBondContact O-CB 3.45Å; T282-L286 WeakPolarHBondContact O-CG 3.34Å; T282-L286 PolarHBondContact O-N 3.41Å; K283-L286 PolarHBondContact O-N 2.72Å
287M94.3Very high95.5Very high64 Ų6452.4 Ų52.432%0.31526%0.256SS..  trans-75.4134.1170.2-64-64.7-71.800110C285 Q292 R293C285-M287 PolarHBondContact O-N 2.8Å; M287-Q292 HydrophobicContact CB-CB 3.96Å; M287-Q292 HydrophobicContact CE-CB 3.69Å; M287-Q292 HydrophobicContact CE-CG 3.96Å; M287-Q292 HydrophobicContact CG-CB 3.95Å; M287-R293 HydrophobicContact CB-CG 3.87Å; M287-R293 PolarHBondContact O-NE 2.98Å; M287-R293 PolarHBondContact O-NH2 3.09Å; M287-R293 VanDerWaalsContact O-NH2 3.15Å
288K89.2Confident95.5Very high66 Ų6653 Ų5329%0.28726%0.26SS..SBendtrans-59.3-51.1176.7-67.5-58.7-17194.80111.1P209 W225 T253 L254 N256 S258 P290 R293P209-K288 HydrophobicContact CB-CD 4.4Å; P209-K288 HydrophobicContact CG-CD 3.97Å; W225-K288 HydrophobicContact CH2-CD 3.93Å; W225-K288 HydrophobicContact CZ3-CD 4.02Å; T253-K288 WeakPolarHBondContact O-CE 3.5Å; T253-K288 PolarHBondContact O-NZ 2.86Å; L254-K288 PolarHBondContact O-NZ 2.62Å; N256-K288 VanDerWaalsContact O-CE 3.31Å; N256-K288 WeakPolarHBondContact O-CE 3.24Å; N256-K288 PolarHBondContact O-NZ 2.92Å; S258-K288 WeakPolarHBondContact OG-CD 3.36Å; S258-K288 WeakPolarHBondContact OG-CE 3.41Å; K288-P290 WeakPolarHBondContact O-CD 3.09Å; K288-R293 PolarHBondContact O-NH2 2.81Å
289D89.7Confident95.5Very high78 Ų7853 Ų5342%0.41726%0.26SS..SBendtrans-65.4118.6170.8173.421.1000111G291 Q292D289-G291 PolarHBondContact O-N 2.85Å; D289-G291 WeakPolarHBondContact OD1-CA 3.42Å; D289-G291 PolarHBondContact OD1-N 2.82Å; D289-Q292 HydrophobicContact CB-CG 4.08Å; D289-Q292 PolarHBondContact O-N 3.09Å; D289-Q292 WeakPolarHBondContact OD2-CG 3.28Å; D289-Q292 PolarHBondContact OD2-N 3.12Å; D289-Q292 PolarHBondContact OD2-NE2 3.09Å
290P90.4Very high95.5Very high24 Ų2452 Ų5216%0.15626%0.26CS..THydrogen-bonded Turntrans-61.9-24.5174.5-1932.2000113.2E210 K221 K288 R293E210-P290 HydrophobicContact CB-CG 4.02Å; E210-P290 VanDerWaalsContact CD-CG 3.49Å; E210-P290 HydrophobicContact CG-CG 3.66Å; K221-P290 HydrophobicContact CB-CB 3.92Å; K221-P290 HydrophobicContact CG-CB 4.41Å; K221-P290 WeakPolarHBondContact CG-O 3.49Å; K221-P290 PolarHBondContact NZ-O 3.39Å; K288-P290 WeakPolarHBondContact O-CD 3.09Å; P290-R293 PolarHBondContact O-N 2.8Å
291G90.9Very high95.5Very high49 Ų4949.9 Ų49.951%0.50526%0.259SS..THydrogen-bonded Turntrans-58-48.5173.900000112.1K221 D289 R293K221-G291 PolarHBondContact NZ-O 3.3Å; K221-G291 VanDerWaalsContact NZ-O 3.15Å; D289-G291 PolarHBondContact O-N 2.85Å; D289-G291 WeakPolarHBondContact OD1-CA 3.42Å; D289-G291 PolarHBondContact OD1-N 2.82Å; G291-R293 VanDerWaalsContact C-N 3.32Å; G291-R293 PolarHBondContact O-N 3Å
292Q93.9Very high95.5Very high121 Ų12150.8 Ų50.857%0.56526%0.263SS*.THydrogen-bonded Turntrans-72.5-15.2-178.8-55.7-44.1-57.500115.1M287 D289 L294M287-Q292 HydrophobicContact CB-CB 3.96Å; M287-Q292 HydrophobicContact CE-CB 3.69Å; M287-Q292 HydrophobicContact CE-CG 3.96Å; M287-Q292 HydrophobicContact CG-CB 3.95Å; D289-Q292 HydrophobicContact CB-CG 4.08Å; D289-Q292 PolarHBondContact O-N 3.09Å; D289-Q292 WeakPolarHBondContact OD2-CG 3.28Å; D289-Q292 PolarHBondContact OD2-N 3.12Å; D289-Q292 PolarHBondContact OD2-NE2 3.09Å; Q292-L294 PolarHBondContact O-N 3.32Å
293R95.4Very high95.5Very high3 Ų354 Ų541%0.01128%0.282CS..SBendtrans-68.8132.3178-62.4-178.9-158.314513.5110.2E210 K221 I224 C285 M287 K288 P290 G291E210-R293 IonicContact OE1-CZ 2.7Å; E210-R293 IonicContact OE1-NH1 2.79Å; E210-R293 PolarHBondContact OE1-NH1 2.81Å; E210-R293 IonicContact OE1-NH2 3.51Å; E210-R293 IonicContact OE2-CZ 2.65Å; E210-R293 IonicContact OE2-NH1 3.8Å; E210-R293 PolarHBondContact OE2-NH1 3.24Å; E210-R293 IonicContact OE2-NH2 3.44Å; E210-R293 PolarHBondContact OE2-NH2 2.87Å; K221-R293 HydrophobicContact CD-CB 4.29Å; K221-R293 WeakPolarHBondContact CE-O 3.31Å; K221-R293 PolarHBondContact NZ-O 3.03Å; K221-R293 WeakPolarHBondContact O-CD 3.26Å; K221-R293 PolarHBondContact O-NH1 3.07Å; I224-R293 HydrophobicContact CG2-CB 4.13Å; C285-R293 VanDerWaalsContact O-CD 3.28Å; C285-R293 WeakPolarHBondContact O-CD 3.49Å; C285-R293 WeakPolarHBondContact O-CG 3.21Å; M287-R293 HydrophobicContact CB-CG 3.87Å; M287-R293 PolarHBondContact O-NE 2.98Å; M287-R293 PolarHBondContact O-NH2 3.09Å; M287-R293 VanDerWaalsContact O-NH2 3.15Å; K288-R293 PolarHBondContact O-NH2 2.81Å; P290-R293 PolarHBondContact O-N 2.8Å; G291-R293 VanDerWaalsContact C-N 3.32Å; G291-R293 PolarHBondContact O-N 3Å
294L96.3Very high95.6Very high53 Ų5346.7 Ų46.728%0.27725%0.251SS..PPolyproline II helixtrans-64.5148.3171.6-64.8-179.6000110.8I224 A284 Q292 E298 L299I224-L294 WeakPolarHBondContact CG2-O 3.2Å; A284-L294 HydrophobicContact CB-CD1 3.99Å; A284-L294 HydrophobicContact CB-CG 4.34Å; Q292-L294 PolarHBondContact O-N 3.32Å; L294-E298 HydrophobicContact CB-CB 4.11Å; L294-E298 HydrophobicContact CD2-CB 4.34Å; L294-L299 HydrophobicContact CB-CD1 4.5Å; L294-L299 HydrophobicContact CB-CD2 3.95Å; L294-L299 HydrophobicContact CB-CG 3.81Å; L294-L299 HydrophobicContact CD1-CD2 3.93Å
295S96.7Very high95.6Very high35 Ų3546.1 Ų46.125%0.24525%0.245CC..PPolyproline II helixtrans-69.9161.5169.365.70000111.8R297 E298 L299S295-R297 PolarHBondContact O-N 2.66Å; S295-E298 VanDerWaalsContact CB-OE2 3.23Å; S295-E298 WeakPolarHBondContact CB-OE2 3.25Å; S295-E298 PolarHBondContact N-OE2 3.03Å; S295-E298 PolarHBondContact O-N 3.42Å; S295-E298 VanDerWaalsContact O-N 3.11Å; S295-E298 WeakPolarHBondContact OG-CG 3.48Å; S295-E298 PolarHBondContact OG-N 3.4Å; S295-E298 PolarHBondContact OG-OE2 3.13Å; S295-L299 WeakPolarHBondContact O-CG 3.48Å; S295-L299 PolarHBondContact O-N 3.44Å
296A97.6Very high95.6Very high1 Ų153.2 Ų53.21%0.00828%0.276CS..Hα-helixtrans-55.8-37.4174.600000112.2L142 L145 A146 I224 L299 L300L142-A296 HydrophobicContact CD2-CB 4.03Å; L145-A296 HydrophobicContact CB-CB 4.24Å; L145-A296 HydrophobicContact CD2-CB 4.29Å; L145-A296 HydrophobicContact CG-CB 4.22Å; A146-A296 HydrophobicContact CB-CB 3.93Å; I224-A296 HydrophobicContact CD1-CB 4.04Å; A296-L299 PolarHBondContact O-N 3.04Å; A296-L300 PolarHBondContact O-N 3.02Å
297R96.8Very high95.6Very high161 Ų16155.2 Ų55.261%0.60829%0.291SS*.Hα-helixtrans-67.3-37177.5-167.7178.6-178.1104.1-0.8113E150 S295E150-R297 WeakPolarHBondContact OE1-CD 3.02Å; E150-R297 IonicContact OE1-CZ 3.91Å; E150-R297 IonicContact OE1-NE 3.75Å; E150-R297 IonicContact OE1-NH1 3.6Å; E150-R297 PolarHBondContact OE1-NH1 3.07Å; E150-R297 IonicContact OE2-NH1 2.72Å; S295-R297 PolarHBondContact O-N 2.66Å
298E97.7Very high95.7Very high102 Ų10254.9 Ų54.948%0.47729%0.287SS..Hα-helixtrans-72.2-37.8173.9-71.1162.6119.500111.8L294 S295 L300 S301 H302L294-E298 HydrophobicContact CB-CB 4.11Å; L294-E298 HydrophobicContact CD2-CB 4.34Å; S295-E298 VanDerWaalsContact CB-OE2 3.23Å; S295-E298 WeakPolarHBondContact CB-OE2 3.25Å; S295-E298 PolarHBondContact N-OE2 3.03Å; S295-E298 PolarHBondContact O-N 3.42Å; S295-E298 VanDerWaalsContact O-N 3.11Å; S295-E298 WeakPolarHBondContact OG-CG 3.48Å; S295-E298 PolarHBondContact OG-N 3.4Å; S295-E298 PolarHBondContact OG-OE2 3.13Å; E298-L300 VanDerWaalsContact C-N 3.34Å; E298-L300 PolarHBondContact O-N 3.49Å; E298-S301 CarbonylContact O-C 3.53Å; E298-S301 WeakPolarHBondContact O-CA 3.5Å; E298-S301 WeakPolarHBondContact O-CB 3.12Å; E298-S301 PolarHBondContact O-N 2.94Å; E298-H302 PolarHBondContact O-N 3.39Å
299L98.2Very high96.1Very high0 Ų052.8 Ų52.80%028%0.282CS..Hα-helixtrans-64.7-33.3176.8-73.1169000112.9L142 I224 L227 F281 A284 L294 S295 A296 S301 H302 I305L142-L299 HydrophobicContact CD1-CB 3.92Å; L142-L299 HydrophobicContact CD2-CB 3.61Å; L142-L299 HydrophobicContact CD2-CD1 4.05Å; L142-L299 HydrophobicContact CD2-CG 4.5Å; L142-L299 HydrophobicContact CG-CB 4.44Å; I224-L299 HydrophobicContact CD1-CD1 4.14Å; I224-L299 HydrophobicContact CG2-CD1 3.84Å; L227-L299 HydrophobicContact CD2-CD1 4.16Å; F281-L299 HydrophobicContact CD2-CD2 3.98Å; F281-L299 HydrophobicContact CE2-CB 4.07Å; F281-L299 HydrophobicContact CE2-CD2 3.72Å; F281-L299 HydrophobicContact CE2-CG 4.38Å; F281-L299 HydrophobicContact CZ-CD2 4.35Å; A284-L299 HydrophobicContact CB-CD2 4.47Å; L294-L299 HydrophobicContact CB-CD1 4.5Å; L294-L299 HydrophobicContact CB-CD2 3.95Å; L294-L299 HydrophobicContact CB-CG 3.81Å; L294-L299 HydrophobicContact CD1-CD2 3.93Å; S295-L299 WeakPolarHBondContact O-CG 3.48Å; S295-L299 PolarHBondContact O-N 3.44Å; A296-L299 PolarHBondContact O-N 3.04Å; L299-S301 PolarHBondContact O-N 3.21Å; L299-H302 WeakPolarHBondContact O-CB 3.25Å; L299-H302 PolarHBondContact O-N 2.76Å; L299-I305 WeakPolarHBondContact O-CG1 3.45Å
300L97.4Very high96.3Very high46 Ų4653.3 Ų53.324%0.24128%0.281CS..Hα-helixtrans-56-32.6168-75.5172.8000112.3R139 L142 R143 A296 E298R139-L300 HydrophobicContact CG-CD2 4.29Å; R139-L300 WeakPolarHBondContact O-CD2 3.2Å; L142-L300 HydrophobicContact CB-CD2 3.42Å; L142-L300 VanDerWaalsContact CB-CD2 3.42Å; L142-L300 HydrophobicContact CB-CG 3.76Å; L142-L300 HydrophobicContact CD1-CD2 4.28Å; R143-L300 HydrophobicContact CG-CD1 4.37Å; R143-L300 HydrophobicContact CG-CD2 4.12Å; A296-L300 PolarHBondContact O-N 3.02Å; E298-L300 VanDerWaalsContact C-N 3.34Å; E298-L300 PolarHBondContact O-N 3.49Å
301S97.2Very high96.4Very high67 Ų6756.6 Ų56.647%0.46930%0.297SS..THydrogen-bonded Turntrans-86.3-2.7177.2-83.40000114.4E298 L299 K306E298-S301 CarbonylContact O-C 3.53Å; E298-S301 WeakPolarHBondContact O-CA 3.5Å; E298-S301 WeakPolarHBondContact O-CB 3.12Å; E298-S301 PolarHBondContact O-N 2.94Å; L299-S301 PolarHBondContact O-N 3.21Å; S301-K306 WeakPolarHBondContact O-CD 3.23Å; S301-K306 WeakPolarHBondContact O-CE 3.4Å; S301-K306 PolarHBondContact O-NZ 3.38Å; S301-K306 PolarHBondContact OG-NZ 2.62Å
302H98.1Very high96.4Very high19 Ų1958.6 Ų58.69%0.08829%0.289CS..SBendtrans-65.8145.3-176.7-170.3-106.5000112.4F281 E298 L299 Y304 I305 K306F281-H302 HydrophobicContact CD2-CB 4.1Å; F281-H302 AromaticContact CD2-CG 3.98Å; F281-H302 AromaticContact CD2-ND1 3.56Å; E298-H302 PolarHBondContact O-N 3.39Å; L299-H302 WeakPolarHBondContact O-CB 3.25Å; L299-H302 PolarHBondContact O-N 2.76Å; H302-Y304 WeakPolarHBondContact ND1-CB 3.33Å; H302-Y304 PolarHBondContact ND1-N 3.15Å; H302-Y304 PolarHBondContact O-N 2.99Å; H302-Y304 VanDerWaalsContact O-N 3.09Å; H302-I305 PolarHBondContact O-N 2.99Å; H302-K306 PolarHBondContact O-N 2.9Å
303T97.4Very high96.3Very high70 Ų7059.1 Ų59.143%0.42929%0.291SS..Hα-helixtrans-56.8-28.6-176.460.70000114.1S307T303-S307 WeakPolarHBondContact O-CB 3.43Å; T303-S307 PolarHBondContact O-N 2.99Å; T303-S307 PolarHBondContact O-OG 3.15Å
304Y98.2Very high96.2Very high0 Ų059.7 Ų59.70%030%0.295CS..Hα-helixtrans-64.5-62.4173.8-180-119.3000111.2E131 A135 L138 K277 F278 F281 H302 K306 S307 K308E131-Y304 WeakPolarHBondContact CA-OH 3.29Å; E131-Y304 HydrophobicContact CB-CE2 4.07Å; E131-Y304 HydrophobicContact CG-CE2 4.14Å; E131-Y304 PolarHBondContact O-OH 3.4Å; A135-Y304 HydrophobicContact CB-CD1 4.38Å; A135-Y304 HydrophobicContact CB-CE1 3.83Å; A135-Y304 HydrophobicContact CB-CE2 4.41Å; L138-Y304 HydrophobicContact CD1-CE1 3.97Å; K277-Y304 HydrophobicContact CB-CD2 4Å; F278-Y304 HydrophobicContact CB-CD2 4.17Å; F278-Y304 HydrophobicContact CB-CE2 3.81Å; F278-Y304 HydrophobicContact CD2-CE1 4.29Å; F278-Y304 HydrophobicContact CD2-CE2 4.19Å; F278-Y304 AromaticContact CD2-CZ 3.76Å; F281-Y304 HydrophobicContact CB-CD1 3.91Å; F281-Y304 HydrophobicContact CB-CG 4.11Å; F281-Y304 HydrophobicContact CD1-CD1 4.22Å; F281-Y304 HydrophobicContact CD2-CD1 4.1Å; F281-Y304 AromaticContact CG-CD1 3.82Å; F281-Y304 HydrophobicContact CG-CD1 3.82Å; F281-Y304 HydrophobicContact CG-CG 4.46Å; H302-Y304 WeakPolarHBondContact ND1-CB 3.33Å; H302-Y304 PolarHBondContact ND1-N 3.15Å; H302-Y304 PolarHBondContact O-N 2.99Å; H302-Y304 VanDerWaalsContact O-N 3.09Å; Y304-K306 VanDerWaalsContact C-N 3.34Å; Y304-K306 PolarHBondContact O-N 3.08Å; Y304-S307 PolarHBondContact O-N 3.14Å; Y304-S307 VanDerWaalsContact O-N 3.08Å; Y304-K308 HydrophobicContact CD2-CB 4.33Å; Y304-K308 HydrophobicContact CD2-CG 3.98Å; Y304-K308 HydrophobicContact CE2-CB 4.1Å; Y304-K308 HydrophobicContact CE2-CG 3.87Å; Y304-K308 WeakPolarHBondContact O-CB 3.4Å; Y304-K308 PolarHBondContact O-N 2.71Å
305I98.2Very high96Very high6 Ų657.2 Ų57.23%0.03128%0.282CS..Hα-helixtrans-53.4-50.9179.1-55.5-58.1000110.6A135 L138 R139 L142 F281 L299 H302 S307 A309A135-I305 HydrophobicContact CB-CD1 4.48Å; L138-I305 HydrophobicContact CB-CD1 3.67Å; L138-I305 HydrophobicContact CD1-CD1 4.26Å; R139-I305 HydrophobicContact CB-CG2 4.02Å; R139-I305 HydrophobicContact CG-CG2 4.25Å; L142-I305 HydrophobicContact CD1-CD1 4.08Å; L142-I305 HydrophobicContact CD1-CG1 4Å; F281-I305 HydrophobicContact CD2-CD1 4.47Å; F281-I305 HydrophobicContact CD2-CG1 4.27Å; F281-I305 HydrophobicContact CE2-CD1 3.92Å; F281-I305 HydrophobicContact CE2-CG1 3.81Å; F281-I305 HydrophobicContact CZ-CD1 4.26Å; L299-I305 WeakPolarHBondContact O-CG1 3.45Å; H302-I305 PolarHBondContact O-N 2.99Å; I305-S307 PolarHBondContact O-N 2.8Å; I305-S307 VanDerWaalsContact O-N 3.14Å; I305-A309 HydrophobicContact CG2-CB 4.37Å; I305-A309 WeakPolarHBondContact O-CB 3.37Å; I305-A309 PolarHBondContact O-N 3.03Å; I305-A309 VanDerWaalsContact O-N 3.1Å
306K97Very high95.8Very high148 Ų14857.4 Ų57.464%0.64328%0.283SS*.Hα-helixtrans-60-24-179.8-78.6-175172.4155.50115.4S301 H302 Y304S301-K306 WeakPolarHBondContact O-CD 3.23Å; S301-K306 WeakPolarHBondContact O-CE 3.4Å; S301-K306 PolarHBondContact O-NZ 3.38Å; S301-K306 PolarHBondContact OG-NZ 2.62Å; H302-K306 PolarHBondContact O-N 2.9Å; Y304-K306 VanDerWaalsContact C-N 3.34Å; Y304-K306 PolarHBondContact O-N 3.08Å
307S96.9Very high95.4Very high47 Ų4764.7 Ų64.733%0.32931%0.31SS..Hα-helixtrans-112.9-14.9-17664.90000115.4K277 T303 Y304 I305K277-S307 WeakPolarHBondContact CD-OG 3.49Å; K277-S307 PolarHBondContact NZ-OG 2.96Å; T303-S307 WeakPolarHBondContact O-CB 3.43Å; T303-S307 PolarHBondContact O-N 2.99Å; T303-S307 PolarHBondContact O-OG 3.15Å; Y304-S307 PolarHBondContact O-N 3.14Å; Y304-S307 VanDerWaalsContact O-N 3.08Å; I305-S307 PolarHBondContact O-N 2.8Å; I305-S307 VanDerWaalsContact O-N 3.14Å
308K96.8Very high94.9Very high57 Ų5760 Ų6025%0.24830%0.299CS..Hα-helixtrans-112.2-31.5-178-69.7-76.6176.2154.30113.5E131 N132 A135 Y304 K310E131-K308 HydrophobicContact CB-CD 3.96Å; E131-K308 HydrophobicContact CB-CG 4.43Å; E131-K308 WeakPolarHBondContact OE2-CE 3.4Å; E131-K308 IonicContact OE2-NZ 3.95Å; E131-K308 PolarHBondContact OE2-NZ 3.43Å; N132-K308 WeakPolarHBondContact CA-O 3.33Å; N132-K308 PolarHBondContact OD1-O 3.22Å; A135-K308 HydrophobicContact CB-CB 3.45Å; A135-K308 VanDerWaalsContact CB-CB 3.45Å; Y304-K308 HydrophobicContact CD2-CB 4.33Å; Y304-K308 HydrophobicContact CD2-CG 3.98Å; Y304-K308 HydrophobicContact CE2-CB 4.1Å; Y304-K308 HydrophobicContact CE2-CG 3.87Å; Y304-K308 WeakPolarHBondContact O-CB 3.4Å; Y304-K308 PolarHBondContact O-N 2.71Å; K308-K310 WeakPolarHBondContact O-CE 3.32Å; K308-K310 PolarHBondContact O-N 2.91Å
309A96.7Very high94.4Very high21 Ų2155.5 Ų55.517%0.17428%0.278CS..  trans-63.3134.7178.600000111.1A135 T136 R139 I305A135-A309 HydrophobicContact CB-CB 4.2Å; A135-A309 WeakPolarHBondContact O-CB 3.18Å; T136-A309 WeakPolarHBondContact OG1-CA 3.19Å; R139-A309 HydrophobicContact CB-CB 4.42Å; I305-A309 HydrophobicContact CG2-CB 4.37Å; I305-A309 WeakPolarHBondContact O-CB 3.37Å; I305-A309 PolarHBondContact O-N 3.03Å; I305-A309 VanDerWaalsContact O-N 3.1Å
310K95.7Very high93.7Very high90 Ų9056.7 Ų56.739%0.39129%0.285SS..  trans-110.9-171.4-179-56.6-55179.4-175.50111N132 T136 R139 K308 L314N132-K310 HydrophobicContact CB-CG 4.12Å; N132-K310 WeakPolarHBondContact OD1-CE 3.45Å; T136-K310 PolarHBondContact OG1-N 3.21Å; R139-K310 VanDerWaalsContact CZ-O 3.22Å; R139-K310 PolarHBondContact NH1-O 3Å; R139-K310 PolarHBondContact NH2-O 3.03Å; K308-K310 WeakPolarHBondContact O-CE 3.32Å; K308-K310 PolarHBondContact O-N 2.91Å; K310-L314 HydrophobicContact CB-CB 4.12Å; K310-L314 HydrophobicContact CB-CD2 3.81Å; K310-L314 HydrophobicContact CG-CD2 3.73Å
311D92.5Very high92.4Very high93 Ų9357.7 Ų57.750%0.49731%0.306SS..  trans-60.1175.6165.751.765000112.6T136 E313 L314T136-D311 WeakPolarHBondContact CG2-O 3.34Å; D311-E313 VanDerWaalsContact C-N 3.32Å; D311-E313 WeakPolarHBondContact OD1-CA 3.46Å; D311-E313 VanDerWaalsContact OD1-CB 3.27Å; D311-E313 WeakPolarHBondContact OD1-CB 3.38Å; D311-E313 PolarHBondContact OD1-N 3.45Å; D311-L314 PolarHBondContact OD1-N 3Å
312R90.5Very high90.7Very high91 Ų9156.6 Ų56.634%0.34331%0.306SS..Hα-helixtrans-77.5-19.1176.2-161.7167.9104.6-171.24.3112.4E84 D168 L314 L315 C316E84-R312 IonicContact OE1-NH1 3.59Å; D168-R312 VanDerWaalsContact O-CZ 3.26Å; D168-R312 PolarHBondContact O-NE 2.87Å; D168-R312 PolarHBondContact O-NH2 3.37Å; D168-R312 IonicContact OD1-NH2 3.7Å; D168-R312 IonicContact OD2-CZ 3.38Å; D168-R312 IonicContact OD2-NH1 3.8Å; D168-R312 IonicContact OD2-NH2 2.69Å; D168-R312 PolarHBondContact OD2-NH2 3.31Å; R312-L314 VanDerWaalsContact C-N 3.25Å; R312-L314 PolarHBondContact O-N 2.77Å; R312-L315 WeakPolarHBondContact O-CB 3.47Å; R312-L315 PolarHBondContact O-N 3.14Å; R312-C316 PolarHBondContact O-N 3.37Å; R312-C316 PolarHBondContact O-SG 3.18Å; R312-C316 VanDerWaalsContact O-SG 3.35Å
313E92Very high88.6Confident131 Ų13164.3 Ų64.361%0.61234%0.342SS*.Hα-helixtrans-63.7-32.9176.8-163.3-166.2138.100111.3D311 L315 C316 R317D311-E313 VanDerWaalsContact C-N 3.32Å; D311-E313 WeakPolarHBondContact OD1-CA 3.46Å; D311-E313 VanDerWaalsContact OD1-CB 3.27Å; D311-E313 WeakPolarHBondContact OD1-CB 3.38Å; D311-E313 PolarHBondContact OD1-N 3.45Å; E313-L315 PolarHBondContact O-N 3.02Å; E313-C316 WeakPolarHBondContact O-CB 3.27Å; E313-C316 PolarHBondContact O-N 3.15Å; E313-R317 WeakPolarHBondContact O-CB 3.48Å; E313-R317 PolarHBondContact O-N 3.18Å
314L92.6Very high86.5Confident16 Ų1662.5 Ų62.58%0.08433%0.328CS..Hα-helixtrans-56-48.5168.7179.265.6000112N132 K310 D311 R312 C316 R317 V318N132-L314 HydrophobicContact CB-CD2 3.86Å; K310-L314 HydrophobicContact CB-CB 4.12Å; K310-L314 HydrophobicContact CB-CD2 3.81Å; K310-L314 HydrophobicContact CG-CD2 3.73Å; D311-L314 PolarHBondContact OD1-N 3Å; R312-L314 VanDerWaalsContact C-N 3.25Å; R312-L314 PolarHBondContact O-N 2.77Å; L314-C316 VanDerWaalsContact C-N 3.31Å; L314-R317 PolarHBondContact O-N 3.46Å; L314-V318 HydrophobicContact CD1-CG2 3.77Å; L314-V318 HydrophobicContact CG-CG2 4.35Å; L314-V318 WeakPolarHBondContact O-CB 3.35Å; L314-V318 VanDerWaalsContact O-CG2 3.32Å; L314-V318 WeakPolarHBondContact O-CG2 3.46Å; L314-V318 PolarHBondContact O-N 3.21Å
315L92.8Very high84.1Confident0 Ų065 Ų650%035%0.345CS..Hα-helixtrans-65.3-39.6177.8-60.8-171000110.5T133 T136 I137 G169 I171 R312 E313 R317 V318 L319T133-L315 HydrophobicContact CG2-CD2 4.21Å; T136-L315 HydrophobicContact CG2-CD1 3.91Å; T136-L315 HydrophobicContact CG2-CD2 3.86Å; T136-L315 HydrophobicContact CG2-CG 3.66Å; I137-L315 HydrophobicContact CG1-CD2 3.77Å; G169-L315 WeakPolarHBondContact O-CD1 3.32Å; I171-L315 HydrophobicContact CD1-CD1 4.42Å; I171-L315 HydrophobicContact CG1-CD1 4.04Å; R312-L315 WeakPolarHBondContact O-CB 3.47Å; R312-L315 PolarHBondContact O-N 3.14Å; E313-L315 PolarHBondContact O-N 3.02Å; L315-R317 VanDerWaalsContact C-N 3.34Å; L315-R317 PolarHBondContact O-N 3.4Å; L315-V318 PolarHBondContact O-N 2.93Å; L315-L319 HydrophobicContact CB-CD1 4.21Å; L315-L319 HydrophobicContact CD2-CD1 4.21Å; L315-L319 VanDerWaalsContact O-CB 3.31Å; L315-L319 WeakPolarHBondContact O-CB 3.42Å; L315-L319 PolarHBondContact O-N 3.37Å
316C91.2Very high81.9Confident40 Ų4068.9 Ų68.927%0.2737%0.37SS..Hα-helixtrans-56.5-47.9173.7-65.10000111.8D168 R312 E313 L314 L320 G321D168-C316 PolarHBondContact O-SG 3.49Å; D168-C316 VanDerWaalsContact O-SG 3.37Å; R312-C316 PolarHBondContact O-N 3.37Å; R312-C316 PolarHBondContact O-SG 3.18Å; R312-C316 VanDerWaalsContact O-SG 3.35Å; E313-C316 WeakPolarHBondContact O-CB 3.27Å; E313-C316 PolarHBondContact O-N 3.15Å; L314-C316 VanDerWaalsContact C-N 3.31Å; C316-L320 VanDerWaalsContact CA-CD1 3.47Å; C316-L320 HydrophobicContact CB-CD1 3.85Å; C316-L320 HydrophobicContact CB-CG 4.48Å; C316-L320 WeakPolarHBondContact O-CA 3.43Å; C316-L320 WeakPolarHBondContact O-CB 3.39Å; C316-L320 WeakPolarHBondContact O-CG 3.2Å; C316-L320 PolarHBondContact O-N 3.31Å; C316-L320 VanDerWaalsContact O-N 3.17Å; C316-G321 PolarHBondContact O-N 2.81Å
317R89Confident79.6Confident153 Ų15362.7 Ų62.758%0.57735%0.346SS*.Hα-helixtrans-69.6-40.6-179.3-175.9171.660.5-130.6-4.1113E313 L314 L315 G321E313-R317 WeakPolarHBondContact O-CB 3.48Å; E313-R317 PolarHBondContact O-N 3.18Å; L314-R317 PolarHBondContact O-N 3.46Å; L315-R317 VanDerWaalsContact C-N 3.34Å; L315-R317 PolarHBondContact O-N 3.4Å; R317-G321 WeakPolarHBondContact O-CA 3.49Å; R317-G321 PolarHBondContact O-N 2.86Å
318V87.3Confident77.2Confident63 Ų6365.1 Ų65.138%0.38235%0.354SS..Hα-helixtrans-85.2-41.5-172.5176.40000112.7F129 T133 L314 L315F129-V318 HydrophobicContact CD1-CG1 4.48Å; T133-V318 HydrophobicContact CG2-CB 4.48Å; T133-V318 HydrophobicContact CG2-CG1 3.93Å; L314-V318 HydrophobicContact CD1-CG2 3.77Å; L314-V318 HydrophobicContact CG-CG2 4.35Å; L314-V318 WeakPolarHBondContact O-CB 3.35Å; L314-V318 VanDerWaalsContact O-CG2 3.32Å; L314-V318 WeakPolarHBondContact O-CG2 3.46Å; L314-V318 PolarHBondContact O-N 3.21Å; L315-V318 PolarHBondContact O-N 2.93Å
319L87Confident74.5Confident7 Ų766.4 Ų66.44%0.03737%0.366CS..Hα-helixtrans-92.2-21.8-176.2-53.3179.4000112.9L111 V114 F129 I137 V165 I171 L315L111-L319 HydrophobicContact CD2-CD1 4.15Å; L111-L319 HydrophobicContact CD2-CD2 4.24Å; V114-L319 HydrophobicContact CG1-CD2 4.07Å; F129-L319 HydrophobicContact CE1-CD2 3.9Å; F129-L319 HydrophobicContact CZ-CD2 4.12Å; I137-L319 HydrophobicContact CD1-CD1 4.45Å; V165-L319 HydrophobicContact CG1-CB 4.31Å; V165-L319 HydrophobicContact CG1-CD1 4.11Å; V165-L319 HydrophobicContact CG2-CD1 4.33Å; I171-L319 HydrophobicContact CD1-CD1 3.77Å; L315-L319 HydrophobicContact CB-CD1 4.21Å; L315-L319 HydrophobicContact CD2-CD1 4.21Å; L315-L319 VanDerWaalsContact O-CB 3.31Å; L315-L319 WeakPolarHBondContact O-CB 3.42Å; L315-L319 PolarHBondContact O-N 3.37Å
320L84.1Confident71.7Confident26 Ų2671.8 Ų71.814%0.13638%0.382CS..Hα-helixtrans-113.8-13.1-175-28.8176.7000113.7R108 V165 D167 C316 G322R108-L320 VanDerWaalsContact CZ-CB 3.5Å; V165-L320 HydrophobicContact CG1-CD2 4Å; D167-L320 VanDerWaalsContact O-CD1 3.27Å; D167-L320 WeakPolarHBondContact O-CD1 3.38Å; C316-L320 VanDerWaalsContact CA-CD1 3.47Å; C316-L320 HydrophobicContact CB-CD1 3.85Å; C316-L320 HydrophobicContact CB-CG 4.48Å; C316-L320 WeakPolarHBondContact O-CA 3.43Å; C316-L320 WeakPolarHBondContact O-CB 3.39Å; C316-L320 WeakPolarHBondContact O-CG 3.2Å; C316-L320 PolarHBondContact O-N 3.31Å; C316-L320 VanDerWaalsContact O-N 3.17Å; L320-G322 PolarHBondContact O-N 3.15Å
321G68.8Low68.7Low67 Ų6773 Ų7369%0.69140%0.397SS*.SBendtrans-7221.2-17200000116.5C316 R317C316-G321 PolarHBondContact O-N 2.81Å; R317-G321 WeakPolarHBondContact O-CA 3.49Å; R317-G321 PolarHBondContact O-N 2.86Å
322G61.2Low65.7Low44 Ų4473.4 Ų73.445%0.45440%0.399SS..SBendtrans-155.1165173.100000111L320 M324L320-G322 PolarHBondContact O-N 3.15Å; G322-M324 PolarHBondContact O-N 2.74Å
323E54Low62.8Low181 Ų18174.8 Ų74.885%0.84641%0.407SS*.  trans-69.183.6167.4-69-174.3174.200109.1Y117Y117-E323 PolarHBondContact OH-O 2.96Å
324M53.4Low59.8Low31 Ų3174.7 Ų74.715%0.15341%0.407CS..PPolyproline II helixtrans-67.5123.6164.5-156-163.880.200106.9R108 V114 Y117 G322R108-M324 HydrophobicContact CB-CE 4.29Å; R108-M324 WeakPolarHBondContact O-CE 3.31Å; V114-M324 HydrophobicContact CG2-SD 3.74Å; Y117-M324 HydrophobicContact CD1-CG 4.36Å; Y117-M324 HydrophobicContact CG-CG 4.32Å; G322-M324 PolarHBondContact O-N 2.74Å
325P49.4Very low57.2Low54 Ų5478.9 Ų78.935%0.35144%0.435SS..PPolyproline II helixtrans-59.4150.517825.6-34.6000109.3Y117Y117-P325 HydrophobicContact CD2-CG 3.75Å; Y117-P325 HydrophobicContact CE2-CG 4.09Å
326P50.3Low54.5Low86 Ų8684.6 Ų84.656%0.55847%0.466SS*.SBendtrans-54.1152170.325.7-34.4000109.9I328P326-I328 PolarHBondContact O-N 2.78Å
327P49.2Very low52.1Low19 Ų1987.5 Ų87.512%0.12348%0.479CS..  trans-43.9126.3-176.6-31.636000111.8I32 T329I32-P327 HydrophobicContact CB-CG 4.47Å; I32-P327 WeakPolarHBondContact O-CB 3.34Å; P327-T329 PolarHBondContact O-N 2.96Å
328I46.8Very low49.8Very low97 Ų9787.5 Ų87.550%0.49748%0.478SS..  trans-62.4111.7-170.2-60.9173.9000108.3P326 R330P326-I328 PolarHBondContact O-N 2.78Å; I328-R330 PolarHBondContact O-N 3.29Å
329T40.5Very low47.5Very low84 Ų8489.7 Ų89.752%0.51550%0.497SS..  trans-59.3105.7170.9-32.70000107.5P327 V331P327-T329 PolarHBondContact O-N 2.96Å; T329-V331 PolarHBondContact O-N 2.69Å
330R38Very low45Very low135 Ų13597.2 Ų97.251%0.50953%0.532SS..  trans-72.181.3176.4-65.3-169.9-166.5-1778108.7I328 N332I328-R330 PolarHBondContact O-N 3.29Å; R330-N332 VanDerWaalsContact C-N 3.31Å; R330-N332 PolarHBondContact O-N 2.98Å
331V31.5Very low42.7Very low116 Ų116105.7 Ų105.770%0.70357%0.567SS**  trans-68.494.5171.4-1760000107.3T329 K333T329-V331 PolarHBondContact O-N 2.69Å; V331-K333 VanDerWaalsContact C-N 3.34Å; V331-K333 PolarHBondContact O-N 3.33Å
332N30.9Very low41Very low100 Ų100114.6 Ų114.654%0.53558%0.58SS.*  trans-61.2103.3160.8-93.1-1.1000107R330 H334R330-N332 VanDerWaalsContact C-N 3.31Å; R330-N332 PolarHBondContact O-N 2.98Å; N332-H334 PolarHBondContact O-N 3.04Å
333K28.1Very low39.7Very low120 Ų120119.1 Ų119.152%0.52259%0.594SS.*  trans-49.9140.5164.8-77.3-171.9156.1-137.80109V331 D337V331-K333 VanDerWaalsContact C-N 3.34Å; V331-K333 PolarHBondContact O-N 3.33Å; K333-D337 IonicContact NZ-OD2 3.7Å; K333-D337 PolarHBondContact NZ-OD2 3.47Å
334H31Very low38.9Very low129 Ų129116.6 Ų116.660%0.59759%0.593SS**  trans-50.4140.2179.4-156.4-100.2000110.4N332 D336 D337N332-H334 PolarHBondContact O-N 3.04Å; H334-D336 IonicContact CE1-OD2 2.7Å; H334-D336 PolarHBondContact CE1-OD2 3.22Å; H334-D336 IonicContact ND1-OD2 3.51Å; H334-D336 PolarHBondContact ND1-OD2 3.44Å; H334-D336 PolarHBondContact O-N 2.92Å; H334-D337 PolarHBondContact O-N 3.07Å
335P36.5Very low38.2Very low104 Ų104124.5 Ų124.568%0.67563%0.627SS**G310 helixtrans-56.6-24.7-17519.1-32.1000114.4
336D37.5Very low37.5Very low121 Ų121128.1 Ų128.165%0.64764%0.643SS**G310 helixtrans-76.9-15.4178.6-51.2-52.2000114.4H334 R338H334-D336 IonicContact CE1-OD2 2.7Å; H334-D336 PolarHBondContact CE1-OD2 3.22Å; H334-D336 IonicContact ND1-OD2 3.51Å; H334-D336 PolarHBondContact ND1-OD2 3.44Å; H334-D336 PolarHBondContact O-N 2.92Å; D336-R338 VanDerWaalsContact C-N 3.32Å; D336-R338 PolarHBondContact O-N 3.47Å
337D39.9Very low36.5Very low101 Ų101132 Ų13254%0.5466%0.659SS.*G310 helixtrans-93.321.5-174.7-162.750.3000112.9K333 H334K333-D337 IonicContact NZ-OD2 3.7Å; K333-D337 PolarHBondContact NZ-OD2 3.47Å; H334-D337 PolarHBondContact O-N 3.07Å
338R40.6Very low35.8Very low152 Ų152135.1 Ų135.157%0.57468%0.681SS**G310 helixtrans-125.96.8-172.2-76.6-174.9168.2180-2.4115.2D336D336-R338 VanDerWaalsContact C-N 3.32Å; D336-R338 PolarHBondContact O-N 3.47Å
339S39.1Very low35.1Very low110 Ų110134.9 Ų134.977%0.76969%0.685SS**SBendtrans-78.4-14.3-177.447.10000114.9
340E35Very low34.7Very low164 Ų164139 Ų13977%0.76670%0.698SS**SBendtrans-120.5136.9-177.6-62.7-169.4167.100113.1
341K36Very low34.7Very low205 Ų205136.9 Ų136.989%0.89169%0.69SS**  trans73.173.2176.7-54.4174.5-176.5171.30116.7
342R32.2Very low34.5Very low253 Ų253135.6 Ų135.696%0.95568%0.679SS**  trans-95.3115.2153.9-105.8-178.3172.1172.2-2.4110.2
343D34.7Very low34.7Very low139 Ų139136.2 Ų136.274%0.74368%0.677SS**  trans-80.1122.6171.9-121.6-45.8000110K345D343-K345 PolarHBondContact O-N 2.85Å
344P37.1Very low35Very low128 Ų128134.4 Ų134.483%0.83167%0.674SS**THydrogen-bonded Turntrans-76.317.7-170.431-36.7000114.9
345K38.1Very low35Very low198 Ų198134.6 Ų134.686%0.86168%0.684SS**THydrogen-bonded Turntrans-118.9-3.4-173.8-79.7-176.3174.7177.60116D343D343-K345 PolarHBondContact O-N 2.85Å
346N34.4Very low34.8Very low130 Ų130134 Ų13470%0.69568%0.678SS**  trans-114.389.3179.8-164.815.7000111.9S348N346-S348 VanDerWaalsContact C-N 3.26Å; N346-S348 PolarHBondContact O-N 2.89Å
347N29.2Very low34.4Very low167 Ų167131.2 Ų131.289%0.89368%0.678SS**  trans-89.234.5-170.1-134.917000113.5T349N347-T349 PolarHBondContact O-N 3.2Å
348S33.9Very low33.8Very low84 Ų84138 Ų13859%0.58770%0.696SS**  trans-81.9103.9175.461.80000110.5N346 E350N346-S348 VanDerWaalsContact C-N 3.26Å; N346-S348 PolarHBondContact O-N 2.89Å; S348-E350 PolarHBondContact O-N 2.97Å
349T32.5Very low33.1Very low92 Ų92137.6 Ų137.656%0.56471%0.711SS**  trans-67.890.9172.533.70000110.9N347 W351N347-T349 PolarHBondContact O-N 3.2Å; T349-W351 PolarHBondContact O-N 3.4Å
350E32.1Very low32.7Very low172 Ų172137.6 Ų137.680%0.80471%0.711SS**  trans-65.8121.1172.5-165.1171.9-152.600109.7S348 N352S348-E350 PolarHBondContact O-N 2.97Å; E350-N352 PolarHBondContact O-N 2.82Å
351W38.2Very low32.3Very low89 Ų89137.6 Ų137.634%0.33772%0.716SS.*  trans-67102.9-172.5-73.689000111.9P204 A242 F244 P246 T349P204-W351 HydrophobicContact CG-CH2 4.03Å; P204-W351 HydrophobicContact CG-CZ3 4.09Å; A242-W351 WeakPolarHBondContact O-CZ2 3.33Å; A242-W351 PolarHBondContact O-NE1 2.94Å; F244-W351 WeakPolarHBondContact O-CH2 3.48Å; F244-W351 WeakPolarHBondContact O-CZ2 3.3Å; P246-W351 HydrophobicContact CG-CH2 4.45Å; P246-W351 HydrophobicContact CG-CZ3 4.02Å; T349-W351 PolarHBondContact O-N 3.4Å
352N28.5Very low32.1Very low89 Ų89133.3 Ų133.348%0.47671%0.711SS.*  trans-92.6124.2177.5-149.624.7000111.3E350 D354E350-N352 PolarHBondContact O-N 2.82Å; N352-D354 VanDerWaalsContact ND2-CG 3.33Å; N352-D354 PolarHBondContact ND2-OD2 2.97Å; N352-D354 PolarHBondContact O-N 2.98Å; N352-D354 PolarHBondContact OD1-OD2 3.22Å
353F34.9Very low32.1Very low113 Ų113124.5 Ų124.550%0.49670%0.7SS.*  trans-83.46.5179.5-97.3-94.5000113.2A36 T355A36-F353 HydrophobicContact CB-CB 4.42Å; F353-T355 VanDerWaalsContact C-N 3.34Å; F353-T355 PolarHBondContact O-N 2.93Å
354D33.6Very low31.8Very low83 Ų83126 Ų12644%0.44471%0.706SS.*  trans-80.4-5.3-168.5-64.5-14.7000114.6N352 V356N352-D354 VanDerWaalsContact ND2-CG 3.33Å; N352-D354 PolarHBondContact ND2-OD2 2.97Å; N352-D354 PolarHBondContact O-N 2.98Å; N352-D354 PolarHBondContact OD1-OD2 3.22Å; D354-V356 PolarHBondContact O-N 3.41Å
355T31.8Very low31.7Very low133 Ų133127.7 Ų127.782%0.81671%0.708SS**  trans-80.646.3-176.7-37.40000113.1F353F353-T355 VanDerWaalsContact C-N 3.34Å; F353-T355 PolarHBondContact O-N 2.93Å
356V31.1Very low31.4Very low91 Ų91122.9 Ų122.955%0.55270%0.699SS**SBendtrans-136.7107.6171.6-170.80000108.6D354D354-V356 PolarHBondContact O-N 3.41Å
357G28.7Very low31.6Very low63 Ų63124 Ų12465%0.64971%0.705SS**SBendtrans118.421.7160.800000120.2
358R27.1Very low32Very low242 Ų242123.3 Ų123.391%0.91370%0.702SS**  trans-138.381.4169.5-79.6-168.1174.4177.1-2.2115
359V27.5Very low32.2Very low145 Ų145125.7 Ų125.788%0.87971%0.708SS**  trans-141.181.6148.5-1710000108.2
360S30.9Very low32.5Very low110 Ų110125.6 Ų125.677%0.76971%0.711SS**  trans-96.8118.2167.249.70000108.5S362S360-S362 PolarHBondContact O-N 3.16Å
361N26.5Very low32.7Very low163 Ų163124.5 Ų124.587%0.87271%0.71SS**  trans-50.6122.2171.5-85.82.9000110.5
362S31.9Very low32.7Very low115 Ų115128 Ų12880%0.80473%0.731SS**  trans-113.4112.6150.854.30000106.4S360S360-S362 PolarHBondContact O-N 3.16Å
363G30.9Very low33Very low69 Ų69129.8 Ų129.871%0.71174%0.74SS**  trans-63.2153.6-177.300000112.3
364I29.1Very low33.1Very low171 Ų171130.4 Ų130.488%0.87775%0.749SS**  trans-82.2108.4162-63.7165.5000105.5
365D34.4Very low33.2Very low163 Ų163135.4 Ų135.487%0.87276%0.762SS**  trans-111.8124.9157.3-79.1-41.9000107.3
366S31.4Very low33.4Very low96 Ų96139 Ų13967%0.67177%0.767SS**  trans-86.5154.1169.351.50000110.3
367D39.1Very low33.5Very low153 Ų153140.9 Ų140.982%0.81877%0.773SS**  trans160.397.3148.6-79.2-10.9000105.4
368D37.7Very low33.8Very low154 Ų154144.2 Ų144.282%0.82478%0.78SS**  87.215981.9-151.66.8000113
369D39Very low34.1Very low133 Ų133136 Ų13671%0.71176%0.76SS**  trans79.986.5177.5-79.3-44.4000121.5
370S37Very low34.5Very low90 Ų90139 Ų13963%0.62976%0.757SS**  67.5140.4107.760.90000125
371D37.3Very low34.7Very low149 Ų149139.8 Ų139.880%0.79776%0.758SS**  trans8492.6149.5-61.5-3.2000125
372E37.3Very low34.9Very low164 Ų164139.3 Ų139.377%0.76676%0.755SS**  58.9128.3118.5-81.1-156.1171.600126.1
373N35.9Very low35.1Very low126 Ų126144.8 Ų144.867%0.67476%0.758SS**  107.4132.9128.5-73.2-19.7000125.2
374D36.6Very low35.2Very low126 Ų126147 Ų14767%0.67476%0.763SS**  trans88.895.4139.8-92.540.9000125.4
375Y36.1Very low35.5Very low187 Ų187142.9 Ų142.973%0.73376%0.762SS**  trans25.1136130.8-61.9-83.6000122.5
376K35.9Very low35.4Very low210 Ų210140.7 Ų140.791%0.91376%0.76SS**  -159.4158.3105.8-115.1169.8-175.3168.80116.7
377I33.9Very low35.5Very low130 Ų130141.6 Ų141.667%0.66776%0.761SS**  trans-111158.2-166.7-72.1164000111.1
378T34.8Very low35.2Very low133 Ų133141.2 Ų141.282%0.81676%0.758SS**  trans164.7155.513534.50000111.7
379S33.8Very low35.1Very low70 Ų70142.3 Ų142.349%0.4976%0.758SS.*  cis-178.8174.2-46.346.80000109.9
380Y35.6Very low35Very low206 Ų206141.5 Ų141.581%0.80876%0.76SS**  trans84.2143.3166.4-56.3-67.3000119.4
381T35Very low34.8Very low128 Ų128143.3 Ų143.379%0.78577%0.771SS**  cis-169161.2-36.613.70000110.6
382D30.2Very low34.6Very low153 Ų153143.9 Ų143.982%0.81877%0.774SS**  trans-57.9157.5176.9-78.7-59.3000118.3
383R35.3Very low34.5Very low230 Ų230142.1 Ų142.187%0.86878%0.78SS**  177119.5110.3-98.6179.4178.6-170.4-0.4118.3
384S33.7Very low34.4Very low115 Ų115141.7 Ų141.780%0.80479%0.787SS**  trans47.5126.6134.165.70000123.9
385G35.5Very low34.4Very low84 Ų84141.6 Ų141.687%0.86680%0.796SS**  trans-171.7135.9156.900000111.3
386S32.4Very low34.2Very low117 Ų117135.6 Ų135.682%0.81879%0.792SS**  trans-125.2176.6-165.7-178.90000113.1
387V33.7Very low34.1Very low116 Ų116135.8 Ų135.870%0.70379%0.793SS**  trans110.6103.3150.8-175.10000119.3
388L33.8Very low34Very low145 Ų145136.8 Ų136.876%0.75980%0.799SS**  trans78.3116.9138.5-64.7171.8000126.3
389Q35.4Very low33.9Very low177 Ų177140.1 Ų140.183%0.82780%0.803SS**  78.8150.1126.2-83.6-171.4-51.100125.1
390P36.5Very low33.9Very low115 Ų115142 Ų14275%0.74781%0.814SS**  trans-118.9178.6-167.644.9-33000115.3
391C33.4Very low33.7Very low128 Ų128137.4 Ų137.487%0.86581%0.812SS**  trans-148.8146.1158.552.80000113
392N31.1Very low33.5Very low161 Ų161139.8 Ų139.886%0.86181%0.814SS**  trans-93.6161.7180-77.5-20.7000112.2
393S35.9Very low33.5Very low127 Ų127138.7 Ų138.789%0.88881%0.807SS**  trans-154.1146.7151.4-73.30000110.3
394S34.2Very low33.2Very low117 Ų117134.4 Ų134.482%0.81880%0.801SS**  trans-142.3147.4-157.855.30000114.8
395S36.8Very low32.9Very low124 Ų124133.3 Ų133.387%0.86779%0.79SS**  trans174.4136.5152.149.40000108.8
396G30.9Very low32.5Very low62 Ų62137.2 Ų137.264%0.63979%0.785SS**  cis128.6119.7-0.900000111.5
397F33.6Very low32.3Very low214 Ų214136.5 Ų136.594%0.93978%0.776SS**  trans-174.4131.7151.8-96.2-61.2000111
398D32.8Very low32Very low150 Ų150137.7 Ų137.780%0.80278%0.778SS**  trans-98.7174.1-174.4-62.9-74000114.1
399F33.5Very low31.7Very low203 Ų203136.6 Ų136.689%0.8978%0.778SS**  -172.8156.2110-109.4-97.2000110.9
400P33.6Very low31.3Very low110 Ų110132.8 Ų132.871%0.71478%0.777SS**  trans-124.4-171.6-145.145.6-35.1000118.2
401S31.6Very low30.8Very low110 Ų110131.4 Ų131.477%0.76978%0.775SS**  trans-62.2160.8178.8-43.10000117.5
402E30.4Very low30.6Very low177 Ų177131.5 Ų131.583%0.82777%0.771SS**  174.4161.9109.2-94.6-150.4136.800115.7
403L29.8Very low30.3Very low130 Ų130131.5 Ų131.568%0.68177%0.77SS**  trans110.3103.4136.4-131.973.6000121.9
404L28.3Very low29.9Very low140 Ų140128.7 Ų128.773%0.73376%0.76SS**  44.2150.9129.1-51.8177.5000121.1
405T27.8Very low29.7Very low93 Ų93128.2 Ų128.257%0.57176%0.757SS**  cis-174.9155.90.318.90000112
406Q27.7Very low29.2Very low166 Ų166128 Ų12878%0.77676%0.755SS**  trans64153.2142-67.1169.924.300119.9
407T27.3Very low29.2Very low101 Ų101129.1 Ų129.162%0.6276%0.759SS**  cis-171.3151-10.526.60000111
408N27.7Very low29Very low141 Ų141123.7 Ų123.775%0.75475%0.748SS**  trans61156.8141.3-63.5-10000119.9
409T28.6Very low28.9Very low123 Ų123123.1 Ų123.176%0.75574%0.744SS**  cis-162.9156.312-70000111.8
410A26.9Very low28.8Very low96 Ų96121.5 Ų121.579%0.79374%0.74SS**  trans36158.6135.800000123.2
411A25.9Very low28.6Very low86 Ų86121.1 Ų121.171%0.71174%0.735SS**  cis-179.8-163.4-18.400000108.4
412V27.7Very low28.5Very low130 Ų130121.7 Ų121.779%0.78873%0.73SS**  trans81.8139.2165.4-169.10000115.8
413I25.9Very low28.4Very low162 Ų162120.1 Ų120.183%0.83173%0.727SS**  cis164.2138.3-31.6-91.5159.4000106.4
414G28.2Very low28.3Very low67 Ų67117.4 Ų117.469%0.69172%0.723SS**  trans100.4154.1154.800000117.8
415S28.2Very low28.3Very low107 Ų107118.9 Ų118.975%0.74873%0.731SS**  cis-178.5143.9-1850.20000110.9
416S27.6Very low28.4Very low119 Ų119117.7 Ų117.783%0.83273%0.73SS**  trans69.4156.9155.8-47.50000117.6
417A29.5Very low28.5Very low87 Ų87116.5 Ų116.572%0.71974%0.735SS**  cis-157.8147.7-2.800000113.4
418S29.3Very low28.6Very low100 Ų100115.1 Ų115.170%0.69974%0.74SS**  trans42.2120.9134.4-42.80000123.8
419N32.3Very low28.6Very low137 Ų137112.9 Ų112.973%0.73374%0.742SS**  163.3123.6111.5-85.1-21000111.2
420Q29.9Very low28.6Very low169 Ų169111.7 Ų111.779%0.7975%0.745SS**  66.8136.381.8-78.3-162.720.500113.7
421V29.3Very low28.8Very low103 Ų103110.9 Ų110.962%0.62474%0.737SS**  cis-161.4166.66.8-125.80000111.9
422N29.4Very low29Very low121 Ų121112.8 Ų112.865%0.64774%0.741SS**  trans69.3116.7143.7-67.9-13.1000119.7
423N29.1Very low29.1Very low145 Ų145112.6 Ų112.678%0.77574%0.74SS**  97.3150.277.3-77.2-12000111.9
424A28.9Very low29.3Very low72 Ų72109 Ų10960%0.59573%0.734SS**  cis-174.8164.6-18.800000108.6
425L28Very low29.5Very low171 Ų171112.2 Ų112.290%0.89574%0.74SS**  trans65.7158.3151.5-107.268000117.2
426A29.8Very low30Very low68 Ų68112 Ų11256%0.56274%0.736SS**  cis-154.2142.20.200000112.3
427T28.8Very low30.2Very low141 Ų141112.1 Ų112.187%0.86573%0.732SS**  50.7140.3125.864.40000123.8
428G29.4Very low30.3Very low72 Ų72114.1 Ų114.174%0.74274%0.736SS**  trans139.676.3156.400000112.8
429A28.6Very low30.6Very low94 Ų94116.9 Ų116.978%0.77774%0.742SS**  65.5106.189.300000112.6
430A28.4Very low30.8Very low99 Ų99116.5 Ų116.582%0.81875%0.747SS**  83.5141.988.800000112.2
431A30.2Very low31.1Very low78 Ų78114.2 Ų114.265%0.64574%0.744SS**  cis-168172.65.100000111.7
432T30.4Very low31.5Very low127 Ų127115.7 Ų115.778%0.77975%0.753SS**  trans62.8147.5146.247.70000119.6
433T29.9Very low31.7Very low125 Ų125116.5 Ų116.577%0.76776%0.758SS**  cis-170.7165.61.415.40000111.6
434A29.8Very low31.9Very low87 Ų87116.6 Ų116.672%0.71975%0.753SS**  trans72.3126.7157.500000118.7
435V31.9Very low32.2Very low134 Ų134118.4 Ų118.481%0.81276%0.757SS**  cis84.8134.521.3-169.40000113.2
436P40Very low32.5Very low102 Ų102116.6 Ų116.666%0.66275%0.753SS**  cis-142.8-156.8-46.141.7-20000113.3
437T31.4Very low32.8Very low123 Ų123117.2 Ų117.276%0.75577%0.766SS**  trans70.6139160.116.60000118
438T30.9Very low32.9Very low129 Ų129113.9 Ų113.979%0.79176%0.76SS**  cis-160.5162.345380000113.1
439L36.2Very low33.2Very low157 Ų157119.2 Ų119.282%0.82277%0.769SS**  trans-87.8170161.3-66.7167.2000110.8
440P37.6Very low33.3Very low129 Ų129120.1 Ų120.184%0.83877%0.77SS**  -149.4-178.996.838.1-19.4000117
441V35.1Very low34.1Very low121 Ų121121.2 Ų121.273%0.73377%0.768SS**  trans-101.8153.5-171.8169.80000112.5
442V37.9Very low34.3Very low135 Ų135129.5 Ų129.582%0.81878%0.783SS**  trans-173130.4134-90.80000109.2
443D32.4Very low34.4Very low138 Ų138128 Ų12874%0.73878%0.778SS**  77.1145.766.6-109.61.7000114.3
444E34.1Very low34.7Very low146 Ų146129.2 Ų129.268%0.68278%0.78SS**  cis-166.1171.46.3-156.3-165.6170.100111.4
445T34.6Very low34.9Very low110 Ų110133 Ų13368%0.67579%0.786SS**  trans71.5156.7152.468.80000123.4
446V36.1Very low35.3Very low134 Ų134131.5 Ų131.581%0.81278%0.779SS**  cis-165.1146.3-19137.20000112
447G34.7Very low35.1Very low80 Ų80134.3 Ų134.383%0.82578%0.783SS**  trans78.1151.214600000121
448G31.2Very low35.4Very low72 Ų72136.7 Ų136.774%0.74279%0.79SS**  cis165.6161.5-10.300000115.4
449I35.7Very low35.4Very low183 Ų183137.2 Ų137.294%0.93879%0.788SS**  trans92.6151.1158.5-52.2176.1000119.5
450S31.8Very low35.5Very low113 Ų113141.5 Ų141.579%0.7979%0.793SS**  trans-121.5177-152.1-93.50000116.4
451P43.8Very low35.3Very low122 Ų122141.1 Ų141.179%0.79279%0.789SS**  trans-107.8-178.5-158.142-37.3000117.2
452R34Very low35.5Very low253 Ų253143.2 Ų143.296%0.95580%0.796SS**  trans-153.6166.9166.4-116176-177.5-176.40.6115.1
453S33.3Very low35.3Very low96 Ų96144 Ų14467%0.67180%0.795SS**  trans-96.6168.2-159.455.30000117.4
454N35.3Very low35.5Very low150 Ų150149 Ų14980%0.80281%0.805SS**  173164.5123.3-83.7-6.4000115.4
455I34.8Very low35.5Very low167 Ų167148.6 Ų148.686%0.85681%0.808SS**  trans-152.8-179.4-177.814169000107.9
456P40.9Very low35.3Very low101 Ų101150.5 Ų150.566%0.65681%0.813SS**  cis-145.6-170.818.145.6-25.2000118.2
457H36Very low35.2Very low161 Ų161148.7 Ų148.775%0.74581%0.812SS**  trans55.4134.7145.8-85.8-74.7000124.7
458L36.1Very low34.9Very low174 Ų174151.5 Ų151.591%0.91181%0.812SS**  -160.6150.8124.8-134.890.5000112.9
459D32.9Very low34.9Very low139 Ų139153.9 Ų153.974%0.74382%0.818SS**  trans-93.3156.3-179-76.8-57.1000114.9
460R37Very low34.7Very low248 Ų248148.7 Ų148.794%0.93681%0.81SS**  -166.7144.6126.7-121.1177.4172.8126.9-2.2115.4
461T34.1Very low34.5Very low120 Ų120148.9 Ų148.974%0.73681%0.811SS**  trans-97.5159.1175.351.40000112.6
462D39.8Very low33.8Very low166 Ų166148.1 Ų148.189%0.88881%0.808SS**  trans-158.6145.6138.7-97.6-33.8000112.8
463N33.4Very low33.5Very low150 Ų150141.8 Ų141.880%0.80280%0.803SS**  trans-106.8146.3-179.2-84.3-40.1000111
464Y36.5Very low33.3Very low243 Ų243142.1 Ų142.195%0.95381%0.806SS**  trans-151.5166.5146.7-98.5-70.5000111.6
465N33Very low33Very low138 Ų138140.5 Ų140.574%0.73881%0.806SS**  trans-140.1159.6-137.7-150.4-0.7000113.7
466I31.8Very low32.7Very low151 Ų151141.7 Ų141.777%0.77481%0.805SS**  trans71.2118.2158.3-57.9155.4000119.4
467A32.5Very low32.2Very low96 Ų96142.1 Ų142.179%0.79381%0.808SS**  -176.4152.6115.400000112.1
468V28.6Very low31.9Very low138 Ų138140.4 Ų140.484%0.83681%0.811SS**  trans-118.5139.6-168.9171.30000112
469S32.4Very low31.5Very low122 Ų122136.6 Ų136.685%0.85380%0.804SS**  trans151.7156.8132.957.20000113.3
470G30.7Very low31.2Very low75 Ų75135.3 Ų135.377%0.77380%0.804SS**  trans117.189.616000000116.6
471S28.1Very low30.6Very low116 Ų116128.2 Ų128.281%0.81180%0.798SS**  trans-43.8136.8167.150.20000116.8
472S29.4Very low30.2Very low106 Ų106128 Ų12874%0.74180%0.8SS**  171.314011647.80000113.3
473S27.6Very low29.5Very low121 Ų121126.3 Ų126.385%0.84680%0.796SS**  trans19.8100156.955.50000119.1
474S28.9Very low29.3Very low103 Ų103125 Ų12572%0.7280%0.796SS**  trans-117.7105.4160.8530000111.1F476S474-F476 PolarHBondContact O-N 2.68Å
475S28.3Very low28.8Very low115 Ų115118 Ų11880%0.80479%0.789SS**PPolyproline II helixtrans-64.3123.9165.648.60000110.3
476F28.2Very low28.5Very low193 Ų193117 Ų11785%0.84679%0.792SS**PPolyproline II helixtrans-72.2135.3165.4-80.1-87.8000109.8S474S474-F476 PolarHBondContact O-N 2.68Å
477P30.5Very low28.3Very low109 Ų109115.3 Ų115.371%0.70879%0.791SS**PPolyproline II helixtrans-71.5151176.830.8-34.7000110.8
478P30.1Very low28.1Very low125 Ų125119.7 Ų119.781%0.81280%0.795SS**PPolyproline II helixtrans-67.2142.5172.829.7-34000110.5
479A27.5Very low28Very low94 Ų94119.7 Ų119.778%0.77780%0.795SS**PPolyproline II helixtrans-62.4144.9171.500000110.5A481A479-A481 PolarHBondContact O-N 3.1Å
480P26.4Very low27.9Very low113 Ų113118.6 Ų118.673%0.73479%0.788SS**PPolyproline II helixtrans-70.2130.2-170.927.8-34.6000112C482P480-C482 PolarHBondContact O-N 2.85Å
481A25.1Very low28.1Very low98 Ų98121.7 Ų121.781%0.8179%0.787SS**  trans-74.190.9169.800000110.1A479 T483A479-A481 PolarHBondContact O-N 3.1Å; A481-T483 PolarHBondContact O-N 3.18Å
482C25.3Very low28.6Very low116 Ų116119.9 Ų119.978%0.78477%0.774SS**  trans-80.799.4169-75.60000110.4P480 P484P480-C482 PolarHBondContact O-N 2.85Å; C482-P484 WeakPolarHBondContact O-CD 3.32Å
483T25.1Very low28.8Very low131 Ų131117 Ų11780%0.80475%0.75SS**PPolyproline II helixtrans-77.6119.9164.148.60000110.3A481A481-T483 PolarHBondContact O-N 3.18Å
484P30.1Very low29.2Very low122 Ų122115 Ų11579%0.79274%0.736SS**PPolyproline II helixtrans-80.2134.3162.5-2.621.9000109.2C482C482-P484 WeakPolarHBondContact O-CD 3.32Å
485A26Very low29.4Very low97 Ų97110.8 Ų110.880%0.80271%0.707SS**PPolyproline II helixtrans-72.7148.2170.200000110.9
486S25.1Very low29.6Very low115 Ų115109.6 Ų109.680%0.80469%0.69SS**PPolyproline II helixtrans-65.1148-175.6-470000114.1
487P29Very low29.8Very low116 Ų116102 Ų10275%0.75366%0.663SS**  trans-106.4142.6132.533.3-28.2000110.3T489P487-T489 PolarHBondContact O-N 2.96Å
488E27.6Very low30Very low189 Ų18999.1 Ų99.188%0.88365%0.648SS**  trans-80.7113.6-174-58.1179.7143.300111.7
489T26.9Very low30.2Very low137 Ų13793.7 Ų93.784%0.8461%0.613SS**  trans-156.394.816631.30000110.7P487P487-T489 PolarHBondContact O-N 2.96Å
490S29.5Very low30.4Very low99 Ų9992 Ų9269%0.69259%0.589SS**  trans-152.756.8-177.266.50000114.9
491N35.6Very low30.7Very low141 Ų14191 Ų9175%0.75459%0.585SS**  trans-114.6-19.6-170.5-76.8-15000117.5
492S38.1Very low31Very low77 Ų7790.3 Ų90.354%0.53857%0.574SS.*Hα-helixtrans-77-48.7-170.152.40000115.1
493I34.5Very low31.2Very low46 Ų4689.9 Ų89.924%0.23657%0.567CS.*Hα-helixtrans-78.7-30.8-174.6-63.8171.6000112.2Y198 Q214 A495 M496 A497Y198-I493 HydrophobicContact CE1-CD1 4.45Å; Q214-I493 HydrophobicContact CB-CD1 4.48Å; Q214-I493 VanDerWaalsContact CD-CD1 3.5Å; Q214-I493 HydrophobicContact CG-CD1 4.16Å; I493-A495 VanDerWaalsContact C-N 3.27Å; I493-A495 PolarHBondContact O-N 3.33Å; I493-M496 PolarHBondContact O-N 3.43Å; I493-A497 PolarHBondContact O-N 3.41Å
494S35.4Very low31.3Very low80 Ų8091.9 Ų91.956%0.55957%0.573SS**Hα-helixtrans-64.1-32.8175.4-163.10000112M496 A497 A498S494-M496 PolarHBondContact O-N 3.5Å; S494-A497 PolarHBondContact O-N 3.39Å; S494-A498 VanDerWaalsContact O-CB 3.27Å; S494-A498 WeakPolarHBondContact O-CB 3.38Å; S494-A498 PolarHBondContact O-N 2.9Å
495A33.8Very low31.3Very low13 Ų1393 Ų9311%0.10758%0.578CS.*Hα-helixtrans-62.6-42.417800000113I493 A499 N550I493-A495 VanDerWaalsContact C-N 3.27Å; I493-A495 PolarHBondContact O-N 3.33Å; A495-A499 WeakPolarHBondContact O-CB 3.27Å; A495-A499 PolarHBondContact O-N 2.67Å; A495-A499 VanDerWaalsContact O-N 3.13Å; A495-N550 HydrophobicContact CB-CB 4.11Å
496M31.9Very low31.3Very low90 Ų9095 Ų9544%0.44358%0.58SS.*Hα-helixtrans-67.8-34.3176.9-74.9-170.3-98.400113I493 S494I493-M496 PolarHBondContact O-N 3.43Å; S494-M496 PolarHBondContact O-N 3.5Å
497A32.3Very low31.5Very low34 Ų3498.8 Ų98.828%0.28159%0.585SS.*Hα-helixtrans-75.5-42.4177.200000112.3I493 S494 A499I493-A497 PolarHBondContact O-N 3.41Å; S494-A497 PolarHBondContact O-N 3.39Å; A497-A499 VanDerWaalsContact C-N 3.33Å; A497-A499 PolarHBondContact O-N 2.66Å
498A34.8Very low31.5Very low48 Ų48101 Ų10140%0.39759%0.59SS.*Hα-helixtrans-68.9-29.9-179.100000113.2S494 F500 S501S494-A498 VanDerWaalsContact O-CB 3.27Å; S494-A498 WeakPolarHBondContact O-CB 3.38Å; S494-A498 PolarHBondContact O-N 2.9Å; A498-F500 PolarHBondContact O-N 3.32Å; A498-F500 VanDerWaalsContact O-N 3.17Å; A498-S501 PolarHBondContact O-N 2.97Å; A498-S501 VanDerWaalsContact O-N 3.14Å
499A34.7Very low31.6Very low11 Ų1197.7 Ų97.79%0.09159%0.585CS.*THydrogen-bonded Turntrans-56.2-27.417900000115.6A495 A497 S548A495-A499 WeakPolarHBondContact O-CB 3.27Å; A495-A499 PolarHBondContact O-N 2.67Å; A495-A499 VanDerWaalsContact O-N 3.13Å; A497-A499 VanDerWaalsContact C-N 3.33Å; A497-A499 PolarHBondContact O-N 2.66Å; A499-S548 VanDerWaalsContact CB-C 3.44Å; A499-S548 WeakPolarHBondContact CB-O 3.32Å
500F31.6Very low31.8Very low59 Ų5998.5 Ų98.526%0.25958%0.584SS.*THydrogen-bonded Turntrans-93.6-10.4-178.8-87.2-89000113.7M251 A498 I547M251-F500 HydrophobicContact CE-CD1 3.78Å; M251-F500 HydrophobicContact CE-CD2 3.62Å; M251-F500 HydrophobicContact CE-CE1 3.65Å; M251-F500 HydrophobicContact CE-CE2 3.48Å; M251-F500 VanDerWaalsContact CE-CE2 3.48Å; M251-F500 HydrophobicContact CE-CG 3.77Å; M251-F500 HydrophobicContact CE-CZ 3.5Å; A498-F500 PolarHBondContact O-N 3.32Å; A498-F500 VanDerWaalsContact O-N 3.17Å; F500-I547 HydrophobicContact CZ-CG1 4.5Å
501S33.2Very low31.9Very low93 Ų93101 Ų10165%0.6559%0.59SS**SBendtrans-87.4-5.9-173.3-60.10000114.7A498A498-S501 PolarHBondContact O-N 2.97Å; A498-S501 VanDerWaalsContact O-N 3.14Å
502S31.3Very low31.5Very low82 Ų82101.8 Ų101.857%0.57359%0.589SS**  trans-10360.7-176.166.70000113.5
503T28.9Very low31.1Very low107 Ų107106.5 Ų106.566%0.65660%0.602SS**  trans-137.2134.116241.50000109.5
504L27.5Very low30.8Very low174 Ų174111.6 Ų111.691%0.91163%0.625SS**SBendtrans90.969-173.4-56.8163.9000117.6
505T29.1Very low30.5Very low146 Ų146116.2 Ų116.290%0.89664%0.638SS**  trans-167.7128.3134.837.40000109.8
506T27Very low30.2Very low138 Ų138120.1 Ų120.185%0.84766%0.664SS**  trans-103.7114.3171.1430000109.8
507E29.3Very low30.1Very low195 Ų195124.6 Ų124.691%0.91168%0.684SS**  trans-146151.2160.5-71-159.8157.900110.9
508D27.8Very low30Very low163 Ų163128.5 Ų128.587%0.87271%0.705SS**  trans-81.5158.7-167.9-71-66.1000115
509P31Very low29.9Very low118 Ų118133 Ų13377%0.76672%0.722SS**  trans-105.8120.9174.136-25.9000113.1
510D29.9Very low29.7Very low154 Ų154139.6 Ų139.682%0.82476%0.756SS**  trans-158.4104.6161.6-127.6-13.2000112.5
511N31.3Very low30Very low152 Ų152142 Ų14281%0.81378%0.778SS**  -175.6154.3116.4-129.8-43.2000113
512Q27.8Very low29.8Very low158 Ų158143.2 Ų143.274%0.73879%0.786SS**  trans-109.6149.5-179.2-57.9173.17.500111.9
513Q29.8Very low29.6Very low175 Ų175146.1 Ų146.182%0.81881%0.805SS**  trans157.3147.2144-90154.768.900109
514Q28.4Very low29.8Very low154 Ų154144.7 Ų144.772%0.7281%0.811SS**  cis174.8164.1-21.3-122.5-175.820.900104.8
515Q28Very low30.4Very low177 Ų177142.2 Ų142.283%0.82781%0.809SS**  trans73.7143.8171.3-58.2164.233.600117.2
516S28.4Very low31.6Very low94 Ų94138 Ų13866%0.65779%0.794SS**  cis-175.8131.8-33.242.20000110.1
517Q29.8Very low33.7Very low184 Ų184136.1 Ų136.186%0.8678%0.778SS**  trans36.5135147.8-59.3172.61.300119.6
518T31.3Very low36.3Very low117 Ų117127.6 Ų127.672%0.71874%0.74SS**  -161143.557.549.70000114.7
519N32Very low39.2Very low141 Ų141120.6 Ų120.675%0.75470%0.702SS**  trans30.9145.2137-5512.2000121
520D30.7Very low42Very low150 Ų150118.8 Ų118.880%0.80268%0.68SS**  cis-155.2178.427.1-114.7-14.1000112.1
521P36.7Very low44.9Very low111 Ų111111.5 Ų111.572%0.72164%0.641SS**  trans-111.7153.9-145.840.5-36.8000118.3
522S29.5Very low47.8Very low118 Ų118105.1 Ų105.183%0.82561%0.607SS**  trans-164.6127.814343.40000114.9
523C27Very low51Low143 Ų14397.6 Ų97.697%0.96657%0.572SS**SBendtrans58.6111.6155-137.70000121.5
524G34.1Very low54Low77 Ų7793.3 Ų93.379%0.79455%0.549SS*.  trans11633.9148.800000120G526G524-G526 PolarHBondContact O-N 3.05Å
525S38.8Very low57Low122 Ų12286.6 Ų86.685%0.85352%0.517SS*.  trans-75.481.3178.660.60000113.1L527S525-L527 PolarHBondContact O-N 3.48Å
526G54.9Low59.9Low58 Ų5881.2 Ų81.260%0.59849%0.489SS*.  trans-64.5114.9175.400000112.9G524 C528G524-G526 PolarHBondContact O-N 3.05Å; G526-C528 PolarHBondContact O-N 3.42Å
527L71.7Confident62.5Low97 Ų9777.7 Ų77.751%0.50846%0.463SS..  trans-70.4122169.6-79.7162.7000109.6S525 Y529 P553 V624S525-L527 PolarHBondContact O-N 3.48Å; L527-Y529 HydrophobicContact CB-CE2 4.44Å; L527-P553 WeakPolarHBondContact O-CD 3.46Å; L527-V624 HydrophobicContact CD2-CG1 4.23Å
528C84.3Confident64.6Low17 Ų1773 Ų7312%0.11545%0.448CS..EExtended strand (participates in β ladder)trans-104.5135.6172.6-171.10000109.8G526 V552 I625G526-C528 PolarHBondContact O-N 3.42Å; C528-V552 HydrophobicContact CB-CG2 4.48Å; C528-I625 HydrophobicContact CB-CB 4.34Å; C528-I625 PolarHBondContact O-N 3.21Å
529Y88.1Confident66.6Low16 Ų1673.6 Ų73.66%0.06344%0.441CS..EExtended strand (participates in β ladder)trans-113.6148.4176.7-59.4-73.2000111L527 N550 Y551 P553 V587 P590 I622 R623 V624L527-Y529 HydrophobicContact CB-CE2 4.44Å; Y529-N550 CarbonylContact O-C 3.56Å; Y529-N550 VanDerWaalsContact O-CA 3.26Å; Y529-N550 WeakPolarHBondContact O-CA 3.37Å; Y529-Y551 PolarHBondContact N-O 3.41Å; Y529-Y551 PolarHBondContact O-N 3.08Å; Y529-P553 HydrophobicContact CD2-CG 3.97Å; Y529-P553 HydrophobicContact CE2-CG 3.6Å; Y529-V587 HydrophobicContact CE2-CG1 4.39Å; Y529-P590 HydrophobicContact CE1-CB 3.86Å; Y529-P590 HydrophobicContact CE1-CG 4.38Å; Y529-I622 HydrophobicContact CD1-CD1 3.68Å; Y529-I622 HydrophobicContact CD1-CG1 3.86Å; Y529-I622 HydrophobicContact CD2-CD1 4.16Å; Y529-I622 HydrophobicContact CE1-CD1 4.22Å; Y529-I622 HydrophobicContact CG-CD1 3.65Å; Y529-I622 HydrophobicContact CG-CG1 3.97Å; Y529-R623 CarbonylContact C-O 3.59Å; Y529-R623 VanDerWaalsContact CA-O 3.32Å; Y529-R623 WeakPolarHBondContact CA-O 3.37Å; Y529-V624 HydrophobicContact CD1-CG2 4.24Å; Y529-V624 HydrophobicContact CE1-CG2 4.03Å
530R90.2Very high68.7Low79 Ų7971.1 Ų71.130%0.29843%0.425SS..EExtended strand (participates in β ladder)trans-95.8114.5158.6-173.7145.5-66.6149.36.7108F549 N550 I622 R623 I625R530-F549 WeakPolarHBondContact CA-O 3.08Å; R530-N550 PolarHBondContact NE-OD1 3.24Å; R530-N550 PolarHBondContact NH2-OD1 2.79Å; R530-I622 CarbonylContact O-C 3.49Å; R530-I622 WeakPolarHBondContact O-CA 3.49Å; R530-R623 HydrophobicContact CB-CB 4.43Å; R530-R623 PolarHBondContact N-O 3.47Å; R530-R623 PolarHBondContact O-N 3.34Å; R530-I625 HydrophobicContact CB-CD1 3.95Å; R530-I625 HydrophobicContact CB-CG1 4.06Å
531I90.8Very high71Confident1 Ų171 Ų711%0.00542%0.424CS..EExtended strand (participates in β ladder)trans-95142.5169.1-60.6-179.8000107.9S548 F549 Y551 M583 V587 V620 L621 I622I531-S548 CarbonylContact O-C 3.54Å; I531-S548 VanDerWaalsContact O-CA 3.22Å; I531-S548 WeakPolarHBondContact O-CA 3.26Å; I531-F549 HydrophobicContact CB-CD2 3.89Å; I531-F549 HydrophobicContact CB-CE2 3.56Å; I531-F549 HydrophobicContact CB-CZ 4.28Å; I531-F549 HydrophobicContact CD1-CE2 4.35Å; I531-F549 HydrophobicContact CG2-CD2 4.33Å; I531-F549 HydrophobicContact CG2-CE2 3.51Å; I531-F549 HydrophobicContact CG2-CZ 3.82Å; I531-F549 PolarHBondContact N-O 2.81Å; I531-F549 PolarHBondContact O-N 3.14Å; I531-Y551 HydrophobicContact CD1-CD2 3.51Å; I531-Y551 HydrophobicContact CD1-CE2 4.31Å; I531-Y551 HydrophobicContact CD1-CG 3.63Å; I531-M583 HydrophobicContact CG2-CE 4.2Å; I531-M583 HydrophobicContact CG2-CG 4.17Å; I531-M583 HydrophobicContact CG2-SD 4.36Å; I531-V587 HydrophobicContact CD1-CG2 3.74Å; I531-V620 HydrophobicContact CG2-CG1 3.77Å; I531-L621 CarbonylContact C-O 3.5Å; I531-L621 VanDerWaalsContact CA-O 3.29Å; I531-L621 WeakPolarHBondContact CA-O 3.49Å; I531-I622 HydrophobicContact CG1-CD1 4.45Å; I531-I622 HydrophobicContact CG1-CG1 4.21Å
532T92.4Very high73Confident18 Ų1867.1 Ų67.111%0.1140%0.397CS..EExtended strand (participates in β ladder)trans-134.1121.3175.5-57.10000109.9D546 I547 S548 V620 L621T532-D546 HydrophobicContact CG2-CB 4.01Å; T532-I547 CarbonylContact C-O 3.59Å; T532-I547 WeakPolarHBondContact CA-O 3.44Å; T532-S548 WeakPolarHBondContact CG2-OG 3.34Å; T532-S548 PolarHBondContact OG1-OG 2.93Å; T532-V620 CarbonylContact O-C 3.59Å; T532-V620 WeakPolarHBondContact O-CA 3.45Å; T532-L621 HydrophobicContact CG2-CD1 4.29Å; T532-L621 PolarHBondContact N-O 2.73Å; T532-L621 PolarHBondContact O-N 2.87Å
533L93.5Very high75.5Confident0 Ų066.8 Ų66.80%038%0.383CS..EExtended strand (participates in β ladder)trans-94.6117.2169.3177.467.3000109.4I547 L565 L571 V579 M583 A618 V620L533-I547 HydrophobicContact CB-CB 4.48Å; L533-I547 HydrophobicContact CD2-CD1 4.44Å; L533-I547 PolarHBondContact N-O 3.02Å; L533-I547 PolarHBondContact O-N 3.27Å; L533-L565 HydrophobicContact CD2-CD1 3.89Å; L533-L571 HydrophobicContact CD2-CD1 4.49Å; L533-V579 HydrophobicContact CD1-CG1 4.33Å; L533-V579 HydrophobicContact CD2-CG1 4.26Å; L533-M583 HydrophobicContact CB-CE 4.14Å; L533-M583 HydrophobicContact CD1-CE 4.5Å; L533-A618 HydrophobicContact CD1-CB 3.95Å; L533-V620 HydrophobicContact CD1-CG2 3.89Å
534R93.7Very high78.4Confident86 Ų8664.5 Ų64.533%0.32536%0.36SS..EExtended strand (participates in β ladder)trans-107121.9175177175.6-69.3177.8-0.9110L544 Q545 D546 L614 A618 K619 L621R534-L544 HydrophobicContact CG-CD2 4.29Å; R534-Q545 WeakPolarHBondContact CA-O 3.45Å; R534-D546 VanDerWaalsContact CB-OD1 3.26Å; R534-D546 WeakPolarHBondContact CB-OD1 3.2Å; R534-D546 WeakPolarHBondContact CD-OD1 3.32Å; R534-D546 WeakPolarHBondContact CG-OD1 3.37Å; R534-D546 IonicContact CZ-OD1 2.68Å; R534-D546 IonicContact CZ-OD2 3.01Å; R534-D546 IonicContact NE-OD1 2.83Å; R534-D546 PolarHBondContact NE-OD1 2.75Å; R534-D546 IonicContact NE-OD2 2.65Å; R534-D546 IonicContact NH2-OD1 3.16Å; R534-D546 PolarHBondContact NH2-OD1 2.9Å; R534-D546 IonicContact NH2-OD2 3.03Å; R534-D546 PolarHBondContact NH2-OD2 3.1Å; R534-L614 HydrophobicContact CB-CD1 4.41Å; R534-L614 HydrophobicContact CG-CD1 3.65Å; R534-A618 CarbonylContact O-C 3.54Å; R534-A618 WeakPolarHBondContact O-CA 3.48Å; R534-K619 HydrophobicContact CB-CB 4.34Å; R534-K619 PolarHBondContact N-O 3.23Å; R534-K619 PolarHBondContact O-N 2.83Å; R534-L621 HydrophobicContact CB-CD1 4.34Å
535K92.1Very high80.9Confident12 Ų1262.2 Ų62.25%0.05233%0.329CS..EExtended strand (participates in β ladder)trans-145.7170.2173.575.7175.2-149.3178.10111.3Q545 L570 A618K535-Q545 PolarHBondContact N-O 3.07Å; K535-Q545 PolarHBondContact O-N 2.95Å; K535-L570 WeakPolarHBondContact CE-O 2.92Å; K535-L570 PolarHBondContact NZ-O 3.39Å; K535-A618 HydrophobicContact CB-CB 4.09Å
536R87.9Confident83.4Confident65 Ų6558.9 Ų58.925%0.24530%0.302CS..EExtended strand (participates in β ladder)trans-82.1143.9169.3-73.1-175.4176.5-108.712.4112.1P538 N542 E543 L544 E613 H615R536-P538 WeakPolarHBondContact O-CD 3.36Å; R536-N542 WeakPolarHBondContact CD-O 3.43Å; R536-N542 WeakPolarHBondContact CG-O 3.45Å; R536-N542 PolarHBondContact NH1-O 3.44Å; R536-E543 CarbonylContact C-O 3.6Å; R536-E543 WeakPolarHBondContact CA-O 3.22Å; R536-L544 HydrophobicContact CG-CD2 3.86Å; R536-L544 HydrophobicContact CG-CG 4.46Å; R536-E613 PolarHBondContact NE-O 3.19Å; R536-E613 PolarHBondContact NH2-O 3.38Å; R536-E613 VanDerWaalsContact NH2-O 3.1Å; R536-H615 WeakPolarHBondContact CD-CD2 3.08Å; R536-H615 PolarHBondContact NE-CD2 3.33Å; R536-H615 VanDerWaalsContact NE-CD2 3.33Å; R536-H615 PolarHBondContact NE-NE2 3.07Å; R536-H615 PolarHBondContact NH2-CE1 2.9Å; R536-H615 PolarHBondContact NH2-NE2 3.1Å
537N82.6Confident85.1Confident19 Ų1956.4 Ų56.410%0.10227%0.274CS..EExtended strand (participates in β ladder)trans-104107178.5-173.8-5.1000111.9K539 Q540 N542 E543 Q545N537-K539 PolarHBondContact O-N 3.24Å; N537-K539 VanDerWaalsContact O-N 3.14Å; N537-K539 WeakPolarHBondContact OD1-CB 3.5Å; N537-K539 PolarHBondContact OD1-N 3.07Å; N537-Q540 HydrophobicContact CB-CB 4.21Å; N537-Q540 WeakPolarHBondContact ND2-CG 3.42Å; N537-Q540 PolarHBondContact ND2-OE1 3.27Å; N537-Q540 CarbonylContact O-C 3.52Å; N537-Q540 PolarHBondContact O-N 3.17Å; N537-N542 WeakPolarHBondContact O-CA 3.49Å; N537-N542 PolarHBondContact O-N 2.92Å; N537-N542 VanDerWaalsContact O-N 3.13Å; N537-E543 PolarHBondContact N-O 3.13Å; N537-Q545 HydrophobicContact CB-CB 4.32Å; N537-Q545 PolarHBondContact ND2-OE1 3.13Å
538P74.7Confident85.9Confident85 Ų8552.3 Ų52.355%0.55225%0.254SS*.THydrogen-bonded Turntrans-65.4-16.4178.626.8-34.3000114R536 N542R536-P538 WeakPolarHBondContact O-CD 3.36Å; P538-N542 WeakPolarHBondContact CA-OD1 3.37Å
539K73.6Confident86.1Confident130 Ų13052.1 Ų52.157%0.56525%0.251SS*.THydrogen-bonded Turntrans-87.3-7.3175.8-57.8165.3-171.8160.60112.8N537 D569N537-K539 PolarHBondContact O-N 3.24Å; N537-K539 VanDerWaalsContact O-N 3.14Å; N537-K539 WeakPolarHBondContact OD1-CB 3.5Å; N537-K539 PolarHBondContact OD1-N 3.07Å; K539-D569 IonicContact NZ-OD1 2.82Å; K539-D569 PolarHBondContact NZ-OD1 3.14Å; K539-D569 IonicContact NZ-OD2 3.5Å; K539-D569 PolarHBondContact NZ-OD2 2.79Å
540Q74.7Confident86.2Confident90 Ų9053.5 Ų53.542%0.42126%0.26SS..THydrogen-bonded Turntrans-129.961.5177.2-68.7-177.9-81.300110.3N537 N542 E543N537-Q540 HydrophobicContact CB-CB 4.21Å; N537-Q540 WeakPolarHBondContact ND2-CG 3.42Å; N537-Q540 PolarHBondContact ND2-OE1 3.27Å; N537-Q540 CarbonylContact O-C 3.52Å; N537-Q540 PolarHBondContact O-N 3.17Å; Q540-N542 PolarHBondContact O-N 2.97Å; Q540-E543 VanDerWaalsContact O-CB 3.32Å; Q540-E543 WeakPolarHBondContact O-CB 3.38Å; Q540-E543 WeakPolarHBondContact O-CG 3.42Å; Q540-E543 PolarHBondContact O-N 3.36Å
541N79.2Confident86.1Confident147 Ų14750.6 Ų50.679%0.78625%0.249SC*.THydrogen-bonded Turntrans5429.6171.8-159.241.7000114.9E543N541-E543 PolarHBondContact O-N 3.47Å
542N78.8Confident85.9Confident29 Ų2952.1 Ų52.116%0.15526%0.258CS..THydrogen-bonded Turntrans57.723.7-172-67.2-22.8000115.2R536 N537 P538 Q540 A604 Q607R536-N542 WeakPolarHBondContact CD-O 3.43Å; R536-N542 WeakPolarHBondContact CG-O 3.45Å; R536-N542 PolarHBondContact NH1-O 3.44Å; N537-N542 WeakPolarHBondContact O-CA 3.49Å; N537-N542 PolarHBondContact O-N 2.92Å; N537-N542 VanDerWaalsContact O-N 3.13Å; P538-N542 WeakPolarHBondContact CA-OD1 3.37Å; Q540-N542 PolarHBondContact O-N 2.97Å; N542-A604 VanDerWaalsContact ND2-CB 3.3Å; N542-A604 WeakPolarHBondContact ND2-CB 3.33Å; N542-Q607 PolarHBondContact ND2-NE2 3.11Å; N542-Q607 PolarHBondContact ND2-OE1 3.21Å; N542-Q607 VanDerWaalsContact ND2-OE1 3.13Å
543E82.6Confident85.4Confident112 Ų11254.2 Ų54.252%0.52327%0.272SS..EExtended strand (participates in β ladder)trans-63152.5174-70.9176.3176.200111.9R536 N537 Q540 N541R536-E543 CarbonylContact C-O 3.6Å; R536-E543 WeakPolarHBondContact CA-O 3.22Å; N537-E543 PolarHBondContact N-O 3.13Å; Q540-E543 VanDerWaalsContact O-CB 3.32Å; Q540-E543 WeakPolarHBondContact O-CB 3.38Å; Q540-E543 WeakPolarHBondContact O-CG 3.42Å; Q540-E543 PolarHBondContact O-N 3.36Å; N541-E543 PolarHBondContact O-N 3.47Å
544L86.8Confident84.7Confident95 Ų9558.3 Ų58.350%0.49731%0.314SS..EExtended strand (participates in β ladder)trans-72.6129.4174.3-74.7169.6000110.1R534 R536 L614R534-L544 HydrophobicContact CG-CD2 4.29Å; R536-L544 HydrophobicContact CG-CD2 3.86Å; R536-L544 HydrophobicContact CG-CG 4.46Å; L544-L614 HydrophobicContact CD2-CB 4.11Å; L544-L614 HydrophobicContact CD2-CD1 4.01Å
545Q87.9Confident84.2Confident28 Ų2862 Ų6213%0.13134%0.335CS..EExtended strand (participates in β ladder)trans-120.4125.9178.3-174.4-179.36.500109.7R534 K535 N537 I547R534-Q545 WeakPolarHBondContact CA-O 3.45Å; K535-Q545 PolarHBondContact N-O 3.07Å; K535-Q545 PolarHBondContact O-N 2.95Å; N537-Q545 HydrophobicContact CB-CB 4.32Å; N537-Q545 PolarHBondContact ND2-OE1 3.13Å; Q545-I547 HydrophobicContact CG-CG1 4.23Å
546D91.3Very high83.9Confident53 Ų5364.3 Ų64.328%0.28335%0.348SS..EExtended strand (participates in β ladder)trans-97.6131.1170.4-75.50.2000109.8T532 R534T532-D546 HydrophobicContact CG2-CB 4.01Å; R534-D546 VanDerWaalsContact CB-OD1 3.26Å; R534-D546 WeakPolarHBondContact CB-OD1 3.2Å; R534-D546 WeakPolarHBondContact CD-OD1 3.32Å; R534-D546 WeakPolarHBondContact CG-OD1 3.37Å; R534-D546 IonicContact CZ-OD1 2.68Å; R534-D546 IonicContact CZ-OD2 3.01Å; R534-D546 IonicContact NE-OD1 2.83Å; R534-D546 PolarHBondContact NE-OD1 2.75Å; R534-D546 IonicContact NE-OD2 2.65Å; R534-D546 IonicContact NH2-OD1 3.16Å; R534-D546 PolarHBondContact NH2-OD1 2.9Å; R534-D546 IonicContact NH2-OD2 3.03Å; R534-D546 PolarHBondContact NH2-OD2 3.1Å
547I90.6Very high84Confident5 Ų563.4 Ų63.43%0.02635%0.352CS..EExtended strand (participates in β ladder)trans-123.8103.7177.1-54.2159.2000106.6F500 T532 L533 Q545 F549 L565 L570F500-I547 HydrophobicContact CZ-CG1 4.5Å; T532-I547 CarbonylContact C-O 3.59Å; T532-I547 WeakPolarHBondContact CA-O 3.44Å; L533-I547 HydrophobicContact CB-CB 4.48Å; L533-I547 HydrophobicContact CD2-CD1 4.44Å; L533-I547 PolarHBondContact N-O 3.02Å; L533-I547 PolarHBondContact O-N 3.27Å; Q545-I547 HydrophobicContact CG-CG1 4.23Å; I547-F549 HydrophobicContact CG2-CD1 4.48Å; I547-F549 HydrophobicContact CG2-CE1 4.39Å; I547-L565 HydrophobicContact CG2-CD2 3.72Å; I547-L570 HydrophobicContact CD1-CB 3.99Å; I547-L570 HydrophobicContact CD1-CD1 4.43Å; I547-L570 HydrophobicContact CD1-CD2 4.44Å; I547-L570 HydrophobicContact CG2-CD1 4.27Å
548S89.3Confident84.4Confident12 Ų1262.6 Ų62.68%0.08435%0.348CS..EExtended strand (participates in β ladder)trans-98.5160.6180-580000112.3A499 I531 T532A499-S548 VanDerWaalsContact CB-C 3.44Å; A499-S548 WeakPolarHBondContact CB-O 3.32Å; I531-S548 CarbonylContact O-C 3.54Å; I531-S548 VanDerWaalsContact O-CA 3.22Å; I531-S548 WeakPolarHBondContact O-CA 3.26Å; T532-S548 WeakPolarHBondContact CG2-OG 3.34Å; T532-S548 PolarHBondContact OG1-OG 2.93Å
549F88.5Confident85.1Confident13 Ų1361.9 Ų61.96%0.05734%0.339CS..EExtended strand (participates in β ladder)trans-158.9160.4169.331.1-87.1000109.4R530 I531 I547 L561 L565 M583R530-F549 WeakPolarHBondContact CA-O 3.08Å; I531-F549 HydrophobicContact CB-CD2 3.89Å; I531-F549 HydrophobicContact CB-CE2 3.56Å; I531-F549 HydrophobicContact CB-CZ 4.28Å; I531-F549 HydrophobicContact CD1-CE2 4.35Å; I531-F549 HydrophobicContact CG2-CD2 4.33Å; I531-F549 HydrophobicContact CG2-CE2 3.51Å; I531-F549 HydrophobicContact CG2-CZ 3.82Å; I531-F549 PolarHBondContact N-O 2.81Å; I531-F549 PolarHBondContact O-N 3.14Å; I547-F549 HydrophobicContact CG2-CD1 4.48Å; I547-F549 HydrophobicContact CG2-CE1 4.39Å; F549-L561 HydrophobicContact CD2-CD1 4.01Å; F549-L561 HydrophobicContact CD2-CD2 4.35Å; F549-L561 HydrophobicContact CE2-CD1 4.04Å; F549-L565 HydrophobicContact CE1-CD1 4.21Å; F549-L565 HydrophobicContact CE1-CD2 4.45Å; F549-L565 HydrophobicContact CZ-CD1 4.39Å; F549-M583 HydrophobicContact CE2-CE 4.26Å; F549-M583 HydrophobicContact CE2-SD 4.04Å; F549-M583 HydrophobicContact CZ-CE 3.54Å; F549-M583 HydrophobicContact CZ-SD 3.86Å
550N89.1Confident85.8Confident45 Ų4558.1 Ų58.124%0.24133%0.327CS..EExtended strand (participates in β ladder)trans-83.5151.7168.2-61.1-18.8000108.6A495 Y529 R530 I625A495-N550 HydrophobicContact CB-CB 4.11Å; Y529-N550 CarbonylContact O-C 3.56Å; Y529-N550 VanDerWaalsContact O-CA 3.26Å; Y529-N550 WeakPolarHBondContact O-CA 3.37Å; R530-N550 PolarHBondContact NE-OD1 3.24Å; R530-N550 PolarHBondContact NH2-OD1 2.79Å; N550-I625 WeakPolarHBondContact OD1-CD1 3.42Å
551Y87.7Confident86.5Confident17 Ų1754.9 Ų54.97%0.06731%0.313CS..EExtended strand (participates in β ladder)trans-139.4122.7177.9-170.3-73.4000109.5Y529 I531 P553 D556 A558 L561 V587Y529-Y551 PolarHBondContact N-O 3.41Å; Y529-Y551 PolarHBondContact O-N 3.08Å; I531-Y551 HydrophobicContact CD1-CD2 3.51Å; I531-Y551 HydrophobicContact CD1-CE2 4.31Å; I531-Y551 HydrophobicContact CD1-CG 3.63Å; Y551-P553 HydrophobicContact CD1-CG 4.31Å; Y551-P553 HydrophobicContact CE1-CB 4.46Å; Y551-P553 HydrophobicContact CE1-CG 4.3Å; Y551-D556 WeakPolarHBondContact CA-OD2 3.32Å; Y551-D556 HydrophobicContact CD1-CB 4.39Å; Y551-D556 HydrophobicContact CD2-CB 4.01Å; Y551-D556 HydrophobicContact CE1-CB 4.36Å; Y551-D556 HydrophobicContact CE2-CB 4.02Å; Y551-D556 HydrophobicContact CG-CB 4.2Å; Y551-D556 PolarHBondContact OH-O 2.82Å; Y551-A558 HydrophobicContact CE2-CB 4.39Å; Y551-A558 PolarHBondContact OH-N 2.89Å; Y551-L561 HydrophobicContact CD2-CD1 3.47Å; Y551-L561 VanDerWaalsContact CD2-CD1 3.47Å; Y551-L561 HydrophobicContact CE2-CD1 3.78Å; Y551-V587 HydrophobicContact CD1-CG1 4.21Å; Y551-V587 HydrophobicContact CD1-CG2 3.79Å; Y551-V587 HydrophobicContact CD2-CG2 4.45Å; Y551-V587 HydrophobicContact CE1-CB 4.34Å; Y551-V587 HydrophobicContact CE1-CG1 3.71Å; Y551-V587 HydrophobicContact CE1-CG2 3.76Å; Y551-V587 HydrophobicContact CE2-CG2 4.4Å; Y551-V587 HydrophobicContact CG-CG2 4.18Å
552V87.8Confident87Confident34 Ų3447.9 Ų47.921%0.20628%0.275CS..  trans-113109.2177.2-179.20000108.5C528 G554 E555 D556C528-V552 HydrophobicContact CB-CG2 4.48Å; V552-G554 PolarHBondContact O-N 2.9Å; V552-E555 HydrophobicContact CB-CB 4.17Å; V552-E555 HydrophobicContact CG1-CB 4.12Å; V552-E555 HydrophobicContact CG1-CG 3.94Å; V552-E555 PolarHBondContact O-N 3.41Å; V552-E555 VanDerWaalsContact O-N 3.1Å; V552-D556 PolarHBondContact N-OD2 2.95Å; V552-D556 PolarHBondContact O-N 2.82Å
553P81.5Confident87.4Confident61 Ų6153 Ų5340%0.39629%0.293SS..BIsolated β-bridgetrans-59.2125.6179.8-20.732000111.8L527 Y529 Y551 V587L527-P553 WeakPolarHBondContact O-CD 3.46Å; Y529-P553 HydrophobicContact CD2-CG 3.97Å; Y529-P553 HydrophobicContact CE2-CG 3.6Å; Y551-P553 HydrophobicContact CD1-CG 4.31Å; Y551-P553 HydrophobicContact CE1-CB 4.46Å; Y551-P553 HydrophobicContact CE1-CG 4.3Å; P553-V587 HydrophobicContact CB-CG1 4.49Å; P553-V587 HydrophobicContact CG-CG1 4.11Å
554G78.9Confident87.6Confident86 Ų8651.1 Ų51.189%0.88728%0.284SS*.THydrogen-bonded Turntrans96.7-21-178.200000114.3V552V552-G554 PolarHBondContact O-N 2.9Å
555E82.3Confident87.7Confident164 Ų16447.2 Ų47.277%0.76626%0.263SS*.THydrogen-bonded Turntrans-98.8-44.2168-59.9-171.116300110.8V552V552-E555 HydrophobicContact CB-CB 4.17Å; V552-E555 HydrophobicContact CG1-CB 4.12Å; V552-E555 HydrophobicContact CG1-CG 3.94Å; V552-E555 PolarHBondContact O-N 3.41Å; V552-E555 VanDerWaalsContact O-N 3.1Å
556D86.8Confident87.8Confident60 Ų6048.1 Ų48.132%0.32127%0.271SS..BIsolated β-bridgetrans-95.9152.2-179.1-65.9-50.5000113.1Y551 V552Y551-D556 WeakPolarHBondContact CA-OD2 3.32Å; Y551-D556 HydrophobicContact CD1-CB 4.39Å; Y551-D556 HydrophobicContact CD2-CB 4.01Å; Y551-D556 HydrophobicContact CE1-CB 4.36Å; Y551-D556 HydrophobicContact CE2-CB 4.02Å; Y551-D556 HydrophobicContact CG-CB 4.2Å; Y551-D556 PolarHBondContact OH-O 2.82Å; V552-D556 PolarHBondContact N-OD2 2.95Å; V552-D556 PolarHBondContact O-N 2.82Å
557S90.2Very high87.2Confident46 Ų4653.3 Ų53.332%0.32229%0.293SS..  trans-127.5127.2176.4168.80000110.9D559 V560 L561S557-D559 VanDerWaalsContact C-N 3.28Å; S557-D559 PolarHBondContact O-N 2.81Å; S557-D559 PolarHBondContact OG-N 2.91Å; S557-V560 PolarHBondContact O-N 3.44Å; S557-V560 VanDerWaalsContact O-N 3.13Å; S557-L561 PolarHBondContact O-N 3.5Å
558A90.1Very high86.9Confident2 Ų254.3 Ų54.32%0.01730%0.302CS..Hα-helixtrans-56.7-37.3175.300000113.3Y551 A562 A580 M583Y551-A558 HydrophobicContact CE2-CB 4.39Å; Y551-A558 PolarHBondContact OH-N 2.89Å; A558-A562 WeakPolarHBondContact O-CB 3.48Å; A558-A562 PolarHBondContact O-N 3.35Å; A558-A580 WeakPolarHBondContact CB-O 3.33Å; A558-M583 HydrophobicContact CB-CB 3.93Å
559D90.1Very high86.7Confident70 Ų7058.4 Ų58.437%0.37432%0.323SS..Hα-helixtrans-63.8-38.7175.4-65.9-91.4000113.2S557 R563S557-D559 VanDerWaalsContact C-N 3.28Å; S557-D559 PolarHBondContact O-N 2.81Å; S557-D559 PolarHBondContact OG-N 2.91Å; D559-R563 WeakPolarHBondContact O-CD 3.44Å; D559-R563 WeakPolarHBondContact O-CG 3.18Å; D559-R563 PolarHBondContact O-N 2.78Å
560V87.8Confident86.6Confident52 Ų5259.3 Ų59.332%0.31533%0.328SS..Hα-helixtrans-69.4-49.7178.8177.90000109.4S557 A562 R563 E564S557-V560 PolarHBondContact O-N 3.44Å; S557-V560 VanDerWaalsContact O-N 3.13Å; V560-A562 VanDerWaalsContact C-N 3.34Å; V560-A562 PolarHBondContact O-N 3.33Å; V560-R563 PolarHBondContact O-N 3.16Å; V560-R563 VanDerWaalsContact O-N 3.11Å; V560-E564 HydrophobicContact CG1-CG 4.5Å; V560-E564 WeakPolarHBondContact O-CG 3.35Å; V560-E564 PolarHBondContact O-N 3.19Å
561L89.9Confident86.6Confident21 Ų2157.5 Ų57.511%0.1132%0.318CS..Hα-helixtrans-57.7-43.1177.3-71.2167.5000112.4F549 Y551 S557 R563 E564 L565F549-L561 HydrophobicContact CD2-CD1 4.01Å; F549-L561 HydrophobicContact CD2-CD2 4.35Å; F549-L561 HydrophobicContact CE2-CD1 4.04Å; Y551-L561 HydrophobicContact CD2-CD1 3.47Å; Y551-L561 VanDerWaalsContact CD2-CD1 3.47Å; Y551-L561 HydrophobicContact CE2-CD1 3.78Å; S557-L561 PolarHBondContact O-N 3.5Å; L561-R563 VanDerWaalsContact C-N 3.35Å; L561-R563 PolarHBondContact O-N 2.83Å; L561-E564 PolarHBondContact O-N 3.45Å; L561-L565 WeakPolarHBondContact O-CG 3.34Å; L561-L565 PolarHBondContact O-N 3.25Å
562A89.5Confident86.6Confident0 Ų059.9 Ų59.90%033%0.332CS..Hα-helixtrans-63.4-38.9177.100000112.6A558 V560 L565 V566 S576 A580A558-A562 WeakPolarHBondContact O-CB 3.48Å; A558-A562 PolarHBondContact O-N 3.35Å; V560-A562 VanDerWaalsContact C-N 3.34Å; V560-A562 PolarHBondContact O-N 3.33Å; A562-L565 PolarHBondContact O-N 2.87Å; A562-V566 WeakPolarHBondContact O-CG2 3.34Å; A562-V566 PolarHBondContact O-N 3.3Å; A562-S576 WeakPolarHBondContact CB-O 3.32Å; A562-A580 HydrophobicContact CB-CB 3.82Å
563R87.1Confident86.6Confident138 Ų13860.9 Ų60.952%0.52135%0.349SS..Hα-helixtrans-67.6-38.1174.9-68.6166.1-162.6162.98.8112D559 V560 L561 V566 Q567D559-R563 WeakPolarHBondContact O-CD 3.44Å; D559-R563 WeakPolarHBondContact O-CG 3.18Å; D559-R563 PolarHBondContact O-N 2.78Å; V560-R563 PolarHBondContact O-N 3.16Å; V560-R563 VanDerWaalsContact O-N 3.11Å; L561-R563 VanDerWaalsContact C-N 3.35Å; L561-R563 PolarHBondContact O-N 2.83Å; R563-V566 PolarHBondContact O-N 2.91Å; R563-Q567 WeakPolarHBondContact O-CG 3.44Å; R563-Q567 PolarHBondContact O-N 2.99Å
564E87.4Confident87Confident72 Ų7261.2 Ų61.234%0.33635%0.352SS..Hα-helixtrans-63.8-40.2174.9-72.2178.3175.100111.6V560 L561 V566 Q567 A568V560-E564 HydrophobicContact CG1-CG 4.5Å; V560-E564 WeakPolarHBondContact O-CG 3.35Å; V560-E564 PolarHBondContact O-N 3.19Å; L561-E564 PolarHBondContact O-N 3.45Å; E564-V566 VanDerWaalsContact C-N 3.3Å; E564-V566 PolarHBondContact O-N 3.29Å; E564-Q567 PolarHBondContact O-N 3.13Å; E564-A568 WeakPolarHBondContact O-CB 3.39Å; E564-A568 PolarHBondContact O-N 2.87Å
565L88.7Confident87.6Confident13 Ų1357.1 Ų57.17%0.06831%0.31CS..Hα-helixtrans-61.1-36.6173-69171.8000112.6L533 I547 F549 L561 A562 D569 L570 L571L533-L565 HydrophobicContact CD2-CD1 3.89Å; I547-L565 HydrophobicContact CG2-CD2 3.72Å; F549-L565 HydrophobicContact CE1-CD1 4.21Å; F549-L565 HydrophobicContact CE1-CD2 4.45Å; F549-L565 HydrophobicContact CZ-CD1 4.39Å; L561-L565 WeakPolarHBondContact O-CG 3.34Å; L561-L565 PolarHBondContact O-N 3.25Å; A562-L565 PolarHBondContact O-N 2.87Å; L565-D569 PolarHBondContact O-N 2.81Å; L565-L570 HydrophobicContact CD2-CB 4.28Å; L565-L570 HydrophobicContact CD2-CD1 4.16Å; L565-L570 WeakPolarHBondContact O-CA 3.38Å; L565-L570 WeakPolarHBondContact O-CB 3.37Å; L565-L570 PolarHBondContact O-N 2.91Å; L565-L571 HydrophobicContact CB-CB 3.77Å; L565-L571 HydrophobicContact CB-CD2 4.29Å; L565-L571 PolarHBondContact O-N 2.97Å; L565-L571 VanDerWaalsContact O-N 3.07Å
566V88.4Confident88Confident47 Ų4750.1 Ų50.129%0.28528%0.279SS..Hα-helixtrans-68.5-45.1173.5175.90000111.3A562 R563 E564 A568 D569 L571A562-V566 WeakPolarHBondContact O-CG2 3.34Å; A562-V566 PolarHBondContact O-N 3.3Å; R563-V566 PolarHBondContact O-N 2.91Å; E564-V566 VanDerWaalsContact C-N 3.3Å; E564-V566 PolarHBondContact O-N 3.29Å; V566-A568 PolarHBondContact O-N 2.87Å; V566-D569 PolarHBondContact O-N 2.63Å; V566-L571 WeakPolarHBondContact CA-O 3.34Å; V566-L571 HydrophobicContact CG2-CB 4.08Å; V566-L571 HydrophobicContact CG2-CD2 4.3Å; V566-L571 HydrophobicContact CG2-CG 4.22Å
567Q80.4Confident88.1Confident162 Ų16253.8 Ų53.876%0.75730%0.298SS*.Hα-helixtrans-63.6-30.8177.1-70.1176.317.800112.8R563 E564 D569R563-Q567 WeakPolarHBondContact O-CG 3.44Å; R563-Q567 PolarHBondContact O-N 2.99Å; E564-Q567 PolarHBondContact O-N 3.13Å; Q567-D569 PolarHBondContact O-N 3.02Å
568A83.9Confident88.2Confident25 Ų2553.5 Ų53.521%0.20729%0.293CS..THydrogen-bonded Turntrans-78.5-0.2174.900000114.1M247 E564 V566 L570M247-A568 HydrophobicContact CG-CB 4.47Å; E564-A568 WeakPolarHBondContact O-CB 3.39Å; E564-A568 PolarHBondContact O-N 2.87Å; V566-A568 PolarHBondContact O-N 2.87Å; A568-L570 HydrophobicContact CB-CB 4.44Å; A568-L570 HydrophobicContact CB-CD1 3.88Å; A568-L570 HydrophobicContact CB-CG 3.91Å; A568-L570 PolarHBondContact O-N 3.07Å
569D84.7Confident88.3Confident98 Ų9853.4 Ų53.452%0.52429%0.292SS..THydrogen-bonded Turntrans60.629.6-176.6-170.534000112.5K539 L565 V566 Q567K539-D569 IonicContact NZ-OD1 2.82Å; K539-D569 PolarHBondContact NZ-OD1 3.14Å; K539-D569 IonicContact NZ-OD2 3.5Å; K539-D569 PolarHBondContact NZ-OD2 2.79Å; L565-D569 PolarHBondContact O-N 2.81Å; V566-D569 PolarHBondContact O-N 2.63Å; Q567-D569 PolarHBondContact O-N 3.02Å
570L86Confident88.4Confident33 Ų3350.2 Ų50.217%0.17328%0.276CS..SBendtrans-103.7-17.8178.8-65.5178.2000113.1K535 I547 L565 A568K535-L570 WeakPolarHBondContact CE-O 2.92Å; K535-L570 PolarHBondContact NZ-O 3.39Å; I547-L570 HydrophobicContact CD1-CB 3.99Å; I547-L570 HydrophobicContact CD1-CD1 4.43Å; I547-L570 HydrophobicContact CD1-CD2 4.44Å; I547-L570 HydrophobicContact CG2-CD1 4.27Å; L565-L570 HydrophobicContact CD2-CB 4.28Å; L565-L570 HydrophobicContact CD2-CD1 4.16Å; L565-L570 WeakPolarHBondContact O-CA 3.38Å; L565-L570 WeakPolarHBondContact O-CB 3.37Å; L565-L570 PolarHBondContact O-N 2.91Å; A568-L570 HydrophobicContact CB-CB 4.44Å; A568-L570 HydrophobicContact CB-CD1 3.88Å; A568-L570 HydrophobicContact CB-CG 3.91Å; A568-L570 PolarHBondContact O-N 3.07Å
571L89.1Confident88.6Confident6 Ų652.9 Ų52.93%0.03128%0.284CS..SBendtrans-136141.2176-174.561.6000109.9L533 L565 V566 D575 V579L533-L571 HydrophobicContact CD2-CD1 4.49Å; L565-L571 HydrophobicContact CB-CB 3.77Å; L565-L571 HydrophobicContact CB-CD2 4.29Å; L565-L571 PolarHBondContact O-N 2.97Å; L565-L571 VanDerWaalsContact O-N 3.07Å; V566-L571 WeakPolarHBondContact CA-O 3.34Å; V566-L571 HydrophobicContact CG2-CB 4.08Å; V566-L571 HydrophobicContact CG2-CD2 4.3Å; V566-L571 HydrophobicContact CG2-CG 4.22Å; L571-D575 HydrophobicContact CD1-CB 3.65Å; L571-D575 HydrophobicContact CG-CB 4.12Å; L571-V579 HydrophobicContact CD1-CG2 3.87Å; L571-V579 HydrophobicContact CD2-CB 3.84Å; L571-V579 HydrophobicContact CD2-CG1 4.01Å; L571-V579 HydrophobicContact CD2-CG2 3.82Å
572D88.3Confident88.8Confident68 Ų6853.2 Ų53.236%0.36429%0.285SS..  trans-77141.7175.6-69-66.6000110.1C574 D575D572-C574 PolarHBondContact O-N 2.95Å; D572-C574 VanDerWaalsContact O-N 3.08Å; D572-D575 WeakPolarHBondContact O-CB 3.32Å; D572-D575 PolarHBondContact O-N 3.16Å
573G86.6Confident88.9Confident54 Ų5453.2 Ų53.256%0.55729%0.285SS*.G310 helixtrans-58.3-28.3-173.400000114.4D575G573-D575 VanDerWaalsContact C-N 3.27Å; G573-D575 PolarHBondContact O-N 3.31Å
574C90.2Very high89.1Confident68 Ų6849.3 Ų49.346%0.45928%0.279SS..G310 helixtrans-69.8-18.8175.357.60000114.3D572 N600D572-C574 PolarHBondContact O-N 2.95Å; D572-C574 VanDerWaalsContact O-N 3.08Å; C574-N600 HydrophobicContact CB-CB 4.07Å; C574-N600 PolarHBondContact O-ND2 2.72Å
575D92.1Very high89.2Confident0 Ų048.6 Ų48.60%028%0.276CS..G310 helixtrans-97.2-11.6-177.4-59.4-27.7000112.2L571 D572 G573 L577 L578 V579 L599 N600 S601L571-D575 HydrophobicContact CD1-CB 3.65Å; L571-D575 HydrophobicContact CG-CB 4.12Å; D572-D575 WeakPolarHBondContact O-CB 3.32Å; D572-D575 PolarHBondContact O-N 3.16Å; G573-D575 VanDerWaalsContact C-N 3.27Å; G573-D575 PolarHBondContact O-N 3.31Å; D575-L577 PolarHBondContact O-N 2.78Å; D575-L578 PolarHBondContact O-N 2.83Å; D575-L578 VanDerWaalsContact O-N 3.16Å; D575-V579 HydrophobicContact CB-CG2 4.46Å; D575-V579 WeakPolarHBondContact O-CG2 3.49Å; D575-V579 PolarHBondContact O-N 2.7Å; D575-L599 HydrophobicContact CB-CD2 4.15Å; D575-N600 WeakPolarHBondContact OD1-CA 3.37Å; D575-N600 WeakPolarHBondContact OD1-CB 3.41Å; D575-N600 PolarHBondContact OD1-N 3.48Å; D575-S601 PolarHBondContact OD1-N 2.86Å; D575-S601 WeakPolarHBondContact OD2-CB 3.26Å; D575-S601 PolarHBondContact OD2-OG 3.07Å
576S90.9Very high89.2Confident18 Ų1848 Ų4813%0.12627%0.273CS..Hα-helixtrans-54.4-47.9-172.1-171.70000113.9A562 A580A562-S576 WeakPolarHBondContact CB-O 3.32Å; S576-A580 WeakPolarHBondContact O-CB 3.32Å; S576-A580 PolarHBondContact O-N 2.98Å
577L89.5Confident89.2Confident136 Ų13646.7 Ų46.771%0.71227%0.265SS*.Hα-helixtrans-68.3-38-178.5-69.7172000111.8D575 H581D575-L577 PolarHBondContact O-N 2.78Å; L577-H581 WeakPolarHBondContact O-CB 3.29Å; L577-H581 PolarHBondContact O-N 3.38Å
578L91.1Very high89.5Confident40 Ų4043.5 Ų43.521%0.20926%0.26CS..Hα-helixtrans-69.5-44-178.6-173.160.4000111D575 H581 H582 L597 P598D575-L578 PolarHBondContact O-N 2.83Å; D575-L578 VanDerWaalsContact O-N 3.16Å; L578-H581 PolarHBondContact O-N 3.06Å; L578-H582 PolarHBondContact O-CD2 3.26Å; L578-H582 VanDerWaalsContact O-CD2 3.23Å; L578-H582 PolarHBondContact O-N 2.87Å; L578-H582 VanDerWaalsContact O-N 3.07Å; L578-L597 HydrophobicContact CD2-CD1 4.04Å; L578-L597 HydrophobicContact CG-CD1 3.84Å; L578-P598 WeakPolarHBondContact CD2-O 3.17Å
579V92.4Very high89.7Confident0 Ų045.3 Ų45.30%027%0.267CS..Hα-helixtrans-64-43175.3173.50000111.5L533 L571 D575 H582 M583 L597L533-V579 HydrophobicContact CD1-CG1 4.33Å; L533-V579 HydrophobicContact CD2-CG1 4.26Å; L571-V579 HydrophobicContact CD1-CG2 3.87Å; L571-V579 HydrophobicContact CD2-CB 3.84Å; L571-V579 HydrophobicContact CD2-CG1 4.01Å; L571-V579 HydrophobicContact CD2-CG2 3.82Å; D575-V579 HydrophobicContact CB-CG2 4.46Å; D575-V579 WeakPolarHBondContact O-CG2 3.49Å; D575-V579 PolarHBondContact O-N 2.7Å; V579-H582 PolarHBondContact O-N 3.03Å; V579-M583 HydrophobicContact CG1-CE 3.32Å; V579-M583 HydrophobicContact CG1-SD 3.96Å; V579-M583 WeakPolarHBondContact O-CG 3.35Å; V579-M583 PolarHBondContact O-N 3.47Å; V579-L597 HydrophobicContact CG2-CD1 4.07Å
580A92.8Very high89.6Confident4 Ų442.9 Ų42.93%0.03326%0.256CS..Hα-helixtrans-59.7-45.9174.800000112.2A558 A562 S576 M583 S584A558-A580 WeakPolarHBondContact CB-O 3.33Å; A562-A580 HydrophobicContact CB-CB 3.82Å; S576-A580 WeakPolarHBondContact O-CB 3.32Å; S576-A580 PolarHBondContact O-N 2.98Å; A580-M583 PolarHBondContact O-N 3.43Å; A580-S584 WeakPolarHBondContact O-CB 3.43Å; A580-S584 PolarHBondContact O-N 2.77Å
581H92.2Very high89.5Confident108 Ų10845.8 Ų45.850%0.528%0.279SS..Hα-helixtrans-58.8-50.8178.1179.83.9000111.9L577 L578 M583 S584 E585L577-H581 WeakPolarHBondContact O-CB 3.29Å; L577-H581 PolarHBondContact O-N 3.38Å; L578-H581 PolarHBondContact O-N 3.06Å; H581-M583 VanDerWaalsContact C-N 3.32Å; H581-M583 PolarHBondContact O-N 3.41Å; H581-S584 PolarHBondContact O-N 2.88Å; H581-E585 IonicContact CE1-OE2 3.97Å; H581-E585 PolarHBondContact CE1-OE2 3.14Å; H581-E585 VanDerWaalsContact CE1-OE2 3.26Å; H581-E585 IonicContact ND1-OE2 3.5Å; H581-E585 PolarHBondContact O-N 2.82Å
582H92.7Very high89.3Confident28 Ų2848.9 Ų48.913%0.1329%0.293CS..Hα-helixtrans-65.7-33.2-179.5-78.9-68.1000112.8L578 V579 E585 L586 L597L578-H582 PolarHBondContact O-CD2 3.26Å; L578-H582 VanDerWaalsContact O-CD2 3.23Å; L578-H582 PolarHBondContact O-N 2.87Å; L578-H582 VanDerWaalsContact O-N 3.07Å; V579-H582 PolarHBondContact O-N 3.03Å; H582-E585 IonicContact ND1-OE2 2.98Å; H582-L586 WeakPolarHBondContact O-CB 3.36Å; H582-L586 WeakPolarHBondContact O-CD1 3.3Å; H582-L586 PolarHBondContact O-N 2.96Å; H582-L586 VanDerWaalsContact O-N 3.07Å; H582-L597 HydrophobicContact CB-CD2 4.37Å; H582-L597 WeakPolarHBondContact NE2-CB 3.19Å
583M92.4Very high89.2Confident0 Ų054.6 Ų54.60%031%0.31CS..Hα-helixtrans-65.5-45.2172.2-74.4174.9-173.500112I531 L533 F549 A558 V579 A580 H581 E585 L586 V587 V620I531-M583 HydrophobicContact CG2-CE 4.2Å; I531-M583 HydrophobicContact CG2-CG 4.17Å; I531-M583 HydrophobicContact CG2-SD 4.36Å; L533-M583 HydrophobicContact CB-CE 4.14Å; L533-M583 HydrophobicContact CD1-CE 4.5Å; F549-M583 HydrophobicContact CE2-CE 4.26Å; F549-M583 HydrophobicContact CE2-SD 4.04Å; F549-M583 HydrophobicContact CZ-CE 3.54Å; F549-M583 HydrophobicContact CZ-SD 3.86Å; A558-M583 HydrophobicContact CB-CB 3.93Å; V579-M583 HydrophobicContact CG1-CE 3.32Å; V579-M583 HydrophobicContact CG1-SD 3.96Å; V579-M583 WeakPolarHBondContact O-CG 3.35Å; V579-M583 PolarHBondContact O-N 3.47Å; A580-M583 PolarHBondContact O-N 3.43Å; H581-M583 VanDerWaalsContact C-N 3.32Å; H581-M583 PolarHBondContact O-N 3.41Å; M583-E585 VanDerWaalsContact C-N 3.32Å; M583-E585 PolarHBondContact O-N 3.34Å; M583-L586 PolarHBondContact O-N 2.97Å; M583-V587 WeakPolarHBondContact O-CG2 3.37Å; M583-V587 PolarHBondContact O-N 3.23Å; M583-V620 HydrophobicContact CE-CG1 4.23Å; M583-V620 HydrophobicContact CE-CG2 4.2Å; M583-V620 HydrophobicContact CG-CG1 3.84Å; M583-V620 HydrophobicContact CG-CG2 4.48Å
584S90.5Very high89.5Confident56 Ų5656.2 Ų56.239%0.39230%0.303SS..Hα-helixtrans-60.8-40.8178.3-170.60000112A580 H581 V587 S588A580-S584 WeakPolarHBondContact O-CB 3.43Å; A580-S584 PolarHBondContact O-N 2.77Å; H581-S584 PolarHBondContact O-N 2.88Å; S584-V587 PolarHBondContact O-N 3.13Å; S584-S588 WeakPolarHBondContact O-CB 3.38Å; S584-S588 PolarHBondContact O-N 3.01Å; S584-S588 PolarHBondContact O-OG 2.77Å
585E89.7Confident89.6Confident56 Ų5655.8 Ų55.826%0.26229%0.292SS..Hα-helixtrans-66.4-43174.2-73.8-174.110000113.1H581 H582 M583 V587 S588 N589 R595H581-E585 IonicContact CE1-OE2 3.97Å; H581-E585 PolarHBondContact CE1-OE2 3.14Å; H581-E585 VanDerWaalsContact CE1-OE2 3.26Å; H581-E585 IonicContact ND1-OE2 3.5Å; H581-E585 PolarHBondContact O-N 2.82Å; H582-E585 IonicContact ND1-OE2 2.98Å; M583-E585 VanDerWaalsContact C-N 3.32Å; M583-E585 PolarHBondContact O-N 3.34Å; E585-V587 VanDerWaalsContact C-N 3.31Å; E585-V587 PolarHBondContact O-N 2.88Å; E585-S588 CarbonylContact O-C 3.57Å; E585-S588 PolarHBondContact O-N 3.28Å; E585-S588 VanDerWaalsContact O-N 3.13Å; E585-N589 PolarHBondContact O-N 3.23Å; E585-R595 IonicContact OE1-CZ 3.13Å; E585-R595 IonicContact OE1-NH1 3.77Å; E585-R595 PolarHBondContact OE1-NH1 3.07Å; E585-R595 IonicContact OE1-NH2 2.71Å; E585-R595 IonicContact OE2-CZ 2.84Å; E585-R595 IonicContact OE2-NH1 3.44Å; E585-R595 PolarHBondContact OE2-NH1 3.21Å
586L89.7Confident89.6Confident1 Ų158 Ų581%0.00531%0.305CS..Hα-helixtrans-63.8-34.5176.5-98.6140.2000112.9H582 M583 N589 P590 R595 V620 I622H582-L586 WeakPolarHBondContact O-CB 3.36Å; H582-L586 WeakPolarHBondContact O-CD1 3.3Å; H582-L586 PolarHBondContact O-N 2.96Å; H582-L586 VanDerWaalsContact O-N 3.07Å; M583-L586 PolarHBondContact O-N 2.97Å; L586-N589 CarbonylContact O-C 3.54Å; L586-N589 VanDerWaalsContact O-C 3.29Å; L586-P590 WeakPolarHBondContact O-CA 3.34Å; L586-R595 HydrophobicContact CD1-CB 3.76Å; L586-R595 HydrophobicContact CD1-CG 3.78Å; L586-R595 HydrophobicContact CG-CG 4.14Å; L586-V620 HydrophobicContact CD1-CB 3.73Å; L586-V620 HydrophobicContact CD1-CG1 3.72Å; L586-I622 HydrophobicContact CD2-CB 3.84Å; L586-I622 HydrophobicContact CD2-CG2 3.45Å; L586-I622 VanDerWaalsContact CD2-CG2 3.45Å; L586-I622 WeakPolarHBondContact O-CD1 3.49Å
587V88.6Confident89.7Confident20 Ų2057.2 Ų57.212%0.12130%0.299CS..Hα-helixtrans-70.9-35.4172.6170.10000111.3Y529 I531 Y551 P553 M583 S584 E585 I622Y529-V587 HydrophobicContact CE2-CG1 4.39Å; I531-V587 HydrophobicContact CD1-CG2 3.74Å; Y551-V587 HydrophobicContact CD1-CG1 4.21Å; Y551-V587 HydrophobicContact CD1-CG2 3.79Å; Y551-V587 HydrophobicContact CD2-CG2 4.45Å; Y551-V587 HydrophobicContact CE1-CB 4.34Å; Y551-V587 HydrophobicContact CE1-CG1 3.71Å; Y551-V587 HydrophobicContact CE1-CG2 3.76Å; Y551-V587 HydrophobicContact CE2-CG2 4.4Å; Y551-V587 HydrophobicContact CG-CG2 4.18Å; P553-V587 HydrophobicContact CB-CG1 4.49Å; P553-V587 HydrophobicContact CG-CG1 4.11Å; M583-V587 WeakPolarHBondContact O-CG2 3.37Å; M583-V587 PolarHBondContact O-N 3.23Å; S584-V587 PolarHBondContact O-N 3.13Å; E585-V587 VanDerWaalsContact C-N 3.31Å; E585-V587 PolarHBondContact O-N 2.88Å; V587-I622 HydrophobicContact CG2-CD1 4.05Å
588S87.1Confident89.8Confident95 Ų9554.2 Ų54.266%0.66429%0.288SS*.Hα-helixtrans-74.9-29.8177.4-580000112.8S584 E585S584-S588 WeakPolarHBondContact O-CB 3.38Å; S584-S588 PolarHBondContact O-N 3.01Å; S584-S588 PolarHBondContact O-OG 2.77Å; E585-S588 CarbonylContact O-C 3.57Å; E585-S588 PolarHBondContact O-N 3.28Å; E585-S588 VanDerWaalsContact O-N 3.13Å
589N87.5Confident89.8Confident63 Ų6353.7 Ų53.734%0.33729%0.286SS..  trans-130.672.1176.9-168.610.1000112.2E585 L586 S591 E592E585-N589 PolarHBondContact O-N 3.23Å; L586-N589 CarbonylContact O-C 3.54Å; L586-N589 VanDerWaalsContact O-C 3.29Å; N589-S591 PolarHBondContact O-N 2.79Å; N589-S591 PolarHBondContact OD1-OG 3.48Å; N589-E592 WeakPolarHBondContact ND2-CG 3.37Å; N589-E592 PolarHBondContact ND2-OE1 2.85Å; N589-E592 PolarHBondContact O-N 3.43Å
590P82.3Confident89.5Confident47 Ų4758.9 Ų58.931%0.30531%0.313SS..G310 helixtrans-65.5-6.5-17727.8-36.5000114Y529 L586 E592Y529-P590 HydrophobicContact CE1-CB 3.86Å; Y529-P590 HydrophobicContact CE1-CG 4.38Å; L586-P590 WeakPolarHBondContact O-CA 3.34Å; P590-E592 VanDerWaalsContact C-N 3.28Å; P590-E592 PolarHBondContact O-N 2.93Å
591S83Confident89.1Confident93 Ų9359.7 Ų59.765%0.6532%0.319SS*.G310 helixtrans-68.3-25.5175.275.80000113.4N589 R593N589-S591 PolarHBondContact O-N 2.79Å; N589-S591 PolarHBondContact OD1-OG 3.48Å; S591-R593 VanDerWaalsContact C-N 3.34Å; S591-R593 PolarHBondContact O-N 2.88Å
592E85.4Confident88.1Confident72 Ų7263.3 Ų63.334%0.33634%0.336SS..G310 helixtrans-72.6-24.9-177.5-69.5173.8-168.500113.4N589 P590 E594 R595N589-E592 WeakPolarHBondContact ND2-CG 3.37Å; N589-E592 PolarHBondContact ND2-OE1 2.85Å; N589-E592 PolarHBondContact O-N 3.43Å; P590-E592 VanDerWaalsContact C-N 3.28Å; P590-E592 PolarHBondContact O-N 2.93Å; E592-E594 PolarHBondContact O-N 2.85Å; E592-R595 VanDerWaalsContact CD-NH2 3.28Å; E592-R595 IonicContact OE1-CZ 2.66Å; E592-R595 IonicContact OE1-NH2 3.96Å; E592-R595 PolarHBondContact OE1-NH2 2.83Å; E592-R595 IonicContact OE2-CZ 2.93Å; E592-R595 IonicContact OE2-NE 3.33Å; E592-R595 PolarHBondContact OE2-NE 3.23Å; E592-R595 IonicContact OE2-NH2 2.73Å; E592-R595 PolarHBondContact OE2-NH2 2.87Å
593R87.2Confident87Confident188 Ų18864.1 Ų64.171%0.70934%0.343SS*.  trans61.3-34.7-179.4-59.2-178.2175.6-167.5-1.9116.9S591 L621 I622S591-R593 VanDerWaalsContact C-N 3.34Å; S591-R593 PolarHBondContact O-N 2.88Å; R593-L621 CarbonylContact O-C 3.29Å; R593-L621 WeakPolarHBondContact O-CA 3.34Å; R593-I622 PolarHBondContact O-N 3.47Å
594E93Very high86Confident88 Ų8865.6 Ų65.641%0.41136%0.356SS..EExtended strand (participates in β ladder)trans-150.4152.5175.655.5169.9-133.100112.8E592 K619 V620 L621E592-E594 PolarHBondContact O-N 2.85Å; E594-K619 HydrophobicContact CB-CD 4.43Å; E594-K619 HydrophobicContact CB-CG 4.43Å; E594-K619 WeakPolarHBondContact OE1-CE 3.42Å; E594-K619 IonicContact OE1-NZ 2.87Å; E594-K619 PolarHBondContact OE1-NZ 2.79Å; E594-K619 WeakPolarHBondContact OE2-CD 3.39Å; E594-K619 WeakPolarHBondContact OE2-CE 3.18Å; E594-K619 IonicContact OE2-NZ 3.64Å; E594-K619 PolarHBondContact OE2-NZ 2.68Å; E594-V620 CarbonylContact C-O 3.53Å; E594-V620 WeakPolarHBondContact CA-O 3.29Å; E594-L621 HydrophobicContact CB-CD2 4.48Å; E594-L621 HydrophobicContact CB-CG 4.08Å
595R91.9Very high84.8Confident59 Ų5968.3 Ų68.322%0.22338%0.382CS..EExtended strand (participates in β ladder)trans-131.6143.6166.1-71-169.9174.1-145.5-5109.8E585 L586 E592 K619 V620E585-R595 IonicContact OE1-CZ 3.13Å; E585-R595 IonicContact OE1-NH1 3.77Å; E585-R595 PolarHBondContact OE1-NH1 3.07Å; E585-R595 IonicContact OE1-NH2 2.71Å; E585-R595 IonicContact OE2-CZ 2.84Å; E585-R595 IonicContact OE2-NH1 3.44Å; E585-R595 PolarHBondContact OE2-NH1 3.21Å; L586-R595 HydrophobicContact CD1-CB 3.76Å; L586-R595 HydrophobicContact CD1-CG 3.78Å; L586-R595 HydrophobicContact CG-CG 4.14Å; E592-R595 VanDerWaalsContact CD-NH2 3.28Å; E592-R595 IonicContact OE1-CZ 2.66Å; E592-R595 IonicContact OE1-NH2 3.96Å; E592-R595 PolarHBondContact OE1-NH2 2.83Å; E592-R595 IonicContact OE2-CZ 2.93Å; E592-R595 IonicContact OE2-NE 3.33Å; E592-R595 PolarHBondContact OE2-NE 3.23Å; E592-R595 IonicContact OE2-NH2 2.73Å; E592-R595 PolarHBondContact OE2-NH2 2.87Å; R595-K619 CarbonylContact O-C 3.5Å; R595-K619 WeakPolarHBondContact O-CA 3.35Å; R595-V620 PolarHBondContact N-O 2.93Å; R595-V620 PolarHBondContact O-N 2.84Å
596V92.6Very high83.9Confident47 Ų4769.7 Ų69.729%0.28541%0.411SS..EExtended strand (participates in β ladder)trans-107.4138.1169.9-175.40000108.2E611 L614 Y617 A618 K619V596-E611 HydrophobicContact CG1-CG 3.66Å; V596-L614 HydrophobicContact CG1-CD2 4.02Å; V596-Y617 HydrophobicContact CG1-CD1 4.06Å; V596-A618 WeakPolarHBondContact CA-O 3.48Å; V596-K619 HydrophobicContact CG2-CB 4.21Å; V596-K619 HydrophobicContact CG2-CD 4.41Å; V596-K619 VanDerWaalsContact CG2-CE 3.42Å; V596-K619 HydrophobicContact CG2-CG 4.14Å
597L92.8Very high82.9Confident0 Ų072.4 Ų72.40%042%0.424CS..EExtended strand (participates in β ladder)trans-132.9139.7-178.258143.9000110.5L578 V579 H582 L599 Y617 A618 V620L578-L597 HydrophobicContact CD2-CD1 4.04Å; L578-L597 HydrophobicContact CG-CD1 3.84Å; V579-L597 HydrophobicContact CG2-CD1 4.07Å; H582-L597 HydrophobicContact CB-CD2 4.37Å; H582-L597 WeakPolarHBondContact NE2-CB 3.19Å; L597-L599 HydrophobicContact CD1-CD2 4.14Å; L597-Y617 CarbonylContact O-C 3.55Å; L597-Y617 WeakPolarHBondContact O-CA 3.32Å; L597-Y617 WeakPolarHBondContact O-CB 3.36Å; L597-Y617 WeakPolarHBondContact O-CD1 3.5Å; L597-A618 HydrophobicContact CD2-CB 4.23Å; L597-A618 WeakPolarHBondContact CD2-O 3.33Å; L597-A618 HydrophobicContact CG-CB 4.19Å; L597-A618 PolarHBondContact N-O 2.65Å; L597-A618 PolarHBondContact O-N 2.96Å; L597-V620 HydrophobicContact CD2-CG2 3.83Å
598P91.3Very high82.3Confident74 Ų7476.4 Ų76.448%0.48145%0.448SS..EExtended strand (participates in β ladder)trans-66.2148.5164.731-33.8000109.2L578 Y617L578-P598 WeakPolarHBondContact CD2-O 3.17Å; P598-Y617 HydrophobicContact CB-CD1 4.1Å; P598-Y617 HydrophobicContact CB-CE1 3.95Å
599L90.1Very high82Confident29 Ų2975.5 Ų75.515%0.15244%0.44CS..  trans-96.6152.3173.1-64174.1000110.8D575 L597 S601 G616 A618D575-L599 HydrophobicContact CB-CD2 4.15Å; L597-L599 HydrophobicContact CD1-CD2 4.14Å; L599-S601 WeakPolarHBondContact CB-OG 3.42Å; L599-G616 PolarHBondContact N-O 3.1Å; L599-A618 HydrophobicContact CD1-CB 4.23Å; L599-A618 HydrophobicContact CD2-CB 3.82Å; L599-A618 HydrophobicContact CG-CB 4.19Å
600N87.5Confident81.9Confident108 Ų10875.5 Ų75.558%0.57844%0.439SS*.SBendtrans-80.7-23.5170.3-65.2-37.3000111C574 D575C574-N600 HydrophobicContact CB-CB 4.07Å; C574-N600 PolarHBondContact O-ND2 2.72Å; D575-N600 WeakPolarHBondContact OD1-CA 3.37Å; D575-N600 WeakPolarHBondContact OD1-CB 3.41Å; D575-N600 PolarHBondContact OD1-N 3.48Å
601S84.1Confident82.1Confident22 Ų2278.5 Ų78.515%0.15445%0.449CS..SBendtrans-62.8137170.749.30000111.6D575 L599D575-S601 PolarHBondContact OD1-N 2.86Å; D575-S601 WeakPolarHBondContact OD2-CB 3.26Å; D575-S601 PolarHBondContact OD2-OG 3.07Å; L599-S601 WeakPolarHBondContact CB-OG 3.42Å
602Q70.7Confident82.2Confident184 Ų18479.3 Ų79.386%0.8646%0.455SS*.PPolyproline II helixtrans-69.3140.1180-71.3-171.5-8.100111.1
603P69.8Low82.1Confident44 Ų4480.3 Ų80.329%0.28646%0.459SS..PPolyproline II helixtrans-55.7157.2167.6-21.431.3000111.9Q607 P609P603-Q607 HydrophobicContact CB-CB 4.16Å; P603-P609 HydrophobicContact CG-CG 4.05Å
604A70.3Confident82.2Confident32 Ų3272 Ų7226%0.26443%0.429SS..SBendtrans-56.7146.3174.100000111.3N542 G606 Q607N542-A604 VanDerWaalsContact ND2-CB 3.3Å; N542-A604 WeakPolarHBondContact ND2-CB 3.33Å; A604-G606 PolarHBondContact O-N 3.26Å; A604-G606 VanDerWaalsContact O-N 3.14Å; A604-Q607 HydrophobicContact CB-CG 4.25Å; A604-Q607 WeakPolarHBondContact O-CB 3.38Å; A604-Q607 PolarHBondContact O-N 2.69Å
605A67.1Low81.8Confident113 Ų11368.6 Ų68.693%0.93441%0.413SS*.THydrogen-bonded Turntrans-52.3120.1-17400000112.4
606G69.8Low81.5Confident85 Ų8566.6 Ų66.688%0.87641%0.411SS*.THydrogen-bonded Turntrans90.1-2-177.700000115.7A604A604-G606 PolarHBondContact O-N 3.26Å; A604-G606 VanDerWaalsContact O-N 3.14Å
607Q69.1Low81.5Confident58 Ų5867 Ų6727%0.27141%0.407SS..PPolyproline II helixtrans-89138.5172.2-62.7-161.7-45.500112.1N542 P603 A604 H615N542-Q607 PolarHBondContact ND2-NE2 3.11Å; N542-Q607 PolarHBondContact ND2-OE1 3.21Å; N542-Q607 VanDerWaalsContact ND2-OE1 3.13Å; P603-Q607 HydrophobicContact CB-CB 4.16Å; A604-Q607 HydrophobicContact CB-CG 4.25Å; A604-Q607 WeakPolarHBondContact O-CB 3.38Å; A604-Q607 PolarHBondContact O-N 2.69Å; Q607-H615 VanDerWaalsContact CD-CD2 3.43Å; Q607-H615 PolarHBondContact NE2-CD2 3.03Å; Q607-H615 VanDerWaalsContact NE2-CD2 3.28Å; Q607-H615 PolarHBondContact NE2-NE2 2.79Å; Q607-H615 PolarHBondContact OE1-CD2 3.42Å; Q607-H615 VanDerWaalsContact OE1-CD2 3.23Å
608V76Confident81.5Confident104 Ų10467 Ų6763%0.6341%0.408SS*.PPolyproline II helixtrans-90.3143171.6-176.70000108.6I610 H615V608-I610 PolarHBondContact O-N 3.47Å; V608-H615 WeakPolarHBondContact O-CB 3.49Å
609P81.3Confident81.6Confident76 Ų7665.3 Ų65.349%0.49439%0.393SS..PPolyproline II helixtrans-59.3125.5171.9-24.333.9000112.2P603 H615 Y617P603-P609 HydrophobicContact CG-CG 4.05Å; P609-H615 CarbonylContact C-O 3.5Å; P609-H615 WeakPolarHBondContact CA-O 3.33Å; P609-Y617 HydrophobicContact CB-CE2 4.05Å
610I84.9Confident81.8Confident62 Ų6264 Ų6432%0.31839%0.386SS..BIsolated β-bridgetrans-141.6111.3-179.7-59.9172.5000108.4V608 S612 E613 L614 H615V608-I610 PolarHBondContact O-N 3.47Å; I610-S612 WeakPolarHBondContact CG2-OG 3.46Å; I610-E613 HydrophobicContact CB-CB 4.34Å; I610-E613 HydrophobicContact CG2-CB 3.92Å; I610-E613 HydrophobicContact CG2-CG 3.9Å; I610-E613 PolarHBondContact O-N 3.13Å; I610-L614 PolarHBondContact O-N 3.01Å; I610-H615 HydrophobicContact CB-CB 4.14Å; I610-H615 PolarHBondContact N-O 2.74Å; I610-H615 PolarHBondContact O-N 3.03Å
611E87.1Confident82.1Confident110 Ų11060 Ų6051%0.51437%0.365SS..G310 helixtrans-63.3-47.2-176-169.6-175149.500112.5V596 E613 L614 Y617V596-E611 HydrophobicContact CG1-CG 3.66Å; E611-E613 PolarHBondContact O-N 2.95Å; E611-E613 VanDerWaalsContact O-N 3.1Å; E611-L614 PolarHBondContact O-N 3.38Å; E611-L614 VanDerWaalsContact O-N 3.07Å; E611-Y617 HydrophobicContact CB-CD1 4.22Å; E611-Y617 HydrophobicContact CB-CD2 4.18Å; E611-Y617 HydrophobicContact CB-CE1 4.01Å; E611-Y617 HydrophobicContact CB-CE2 4Å; E611-Y617 HydrophobicContact CB-CG 4.31Å; E611-Y617 HydrophobicContact CG-CD1 3.92Å; E611-Y617 HydrophobicContact CG-CE1 3.95Å; E611-Y617 HydrophobicContact CG-CG 4.3Å
612S83.9Confident82.4Confident110 Ų11059.4 Ų59.477%0.76936%0.359SS*.G310 helixtrans-61.8-20.7-178.953.40000114.2I610I610-S612 WeakPolarHBondContact CG2-OG 3.46Å
613E83.8Confident83.3Confident93 Ų9359.2 Ų59.244%0.43535%0.351SS..G310 helixtrans-112.52.4-179.9-63.4-177.7-178.100112.9R536 I610 E611 H615R536-E613 PolarHBondContact NE-O 3.19Å; R536-E613 PolarHBondContact NH2-O 3.38Å; R536-E613 VanDerWaalsContact NH2-O 3.1Å; I610-E613 HydrophobicContact CB-CB 4.34Å; I610-E613 HydrophobicContact CG2-CB 3.92Å; I610-E613 HydrophobicContact CG2-CG 3.9Å; I610-E613 PolarHBondContact O-N 3.13Å; E611-E613 PolarHBondContact O-N 2.95Å; E611-E613 VanDerWaalsContact O-N 3.1Å; E613-H615 PolarHBondContact O-N 3.3Å; E613-H615 IonicContact OE2-CE1 2.81Å; E613-H615 PolarHBondContact OE2-CE1 3.07Å; E613-H615 IonicContact OE2-ND1 3.72Å; E613-H615 PolarHBondContact OE2-ND1 3.32Å
614L88.3Confident84Confident14 Ų1460.9 Ų60.97%0.07336%0.36CS..THydrogen-bonded Turntrans51.436.6-173.6-60.2175.2000114.4R534 L544 V596 I610 E611 G616 K619R534-L614 HydrophobicContact CB-CD1 4.41Å; R534-L614 HydrophobicContact CG-CD1 3.65Å; L544-L614 HydrophobicContact CD2-CB 4.11Å; L544-L614 HydrophobicContact CD2-CD1 4.01Å; V596-L614 HydrophobicContact CG1-CD2 4.02Å; I610-L614 PolarHBondContact O-N 3.01Å; E611-L614 PolarHBondContact O-N 3.38Å; E611-L614 VanDerWaalsContact O-N 3.07Å; L614-G616 PolarHBondContact O-N 3.29Å; L614-K619 HydrophobicContact CD1-CB 4.08Å; L614-K619 HydrophobicContact CD2-CB 4.23Å
615H85Confident84.3Confident16 Ų1661.4 Ų61.47%0.07436%0.358CS..BIsolated β-bridgetrans-80.5107.6167.6-71127.2000108.7R536 Q607 V608 P609 I610 E613 Y617R536-H615 WeakPolarHBondContact CD-CD2 3.08Å; R536-H615 PolarHBondContact NE-CD2 3.33Å; R536-H615 VanDerWaalsContact NE-CD2 3.33Å; R536-H615 PolarHBondContact NE-NE2 3.07Å; R536-H615 PolarHBondContact NH2-CE1 2.9Å; R536-H615 PolarHBondContact NH2-NE2 3.1Å; Q607-H615 VanDerWaalsContact CD-CD2 3.43Å; Q607-H615 PolarHBondContact NE2-CD2 3.03Å; Q607-H615 VanDerWaalsContact NE2-CD2 3.28Å; Q607-H615 PolarHBondContact NE2-NE2 2.79Å; Q607-H615 PolarHBondContact OE1-CD2 3.42Å; Q607-H615 VanDerWaalsContact OE1-CD2 3.23Å; V608-H615 WeakPolarHBondContact O-CB 3.49Å; P609-H615 CarbonylContact C-O 3.5Å; P609-H615 WeakPolarHBondContact CA-O 3.33Å; I610-H615 HydrophobicContact CB-CB 4.14Å; I610-H615 PolarHBondContact N-O 2.74Å; I610-H615 PolarHBondContact O-N 3.03Å; E613-H615 PolarHBondContact O-N 3.3Å; E613-H615 IonicContact OE2-CE1 2.81Å; E613-H615 PolarHBondContact OE2-CE1 3.07Å; E613-H615 IonicContact OE2-ND1 3.72Å; E613-H615 PolarHBondContact OE2-ND1 3.32Å; H615-Y617 VanDerWaalsContact C-N 3.29Å; H615-Y617 VanDerWaalsContact O-CD2 3.29Å; H615-Y617 WeakPolarHBondContact O-CD2 3.2Å; H615-Y617 PolarHBondContact O-N 3.38Å
616G85.7Confident83.8Confident17 Ų1762.2 Ų62.218%0.17535%0.347CS..SBendtrans75.313.3-174.900000115L599 L614L599-G616 PolarHBondContact N-O 3.1Å; L614-G616 PolarHBondContact O-N 3.29Å
617Y92.3Very high82.7Confident55 Ų5564.5 Ų64.522%0.21634%0.339CS..EExtended strand (participates in β ladder)trans-129.9158.2175.7-66.7-104000110V596 L597 P598 P609 E611 H615V596-Y617 HydrophobicContact CG1-CD1 4.06Å; L597-Y617 CarbonylContact O-C 3.55Å; L597-Y617 WeakPolarHBondContact O-CA 3.32Å; L597-Y617 WeakPolarHBondContact O-CB 3.36Å; L597-Y617 WeakPolarHBondContact O-CD1 3.5Å; P598-Y617 HydrophobicContact CB-CD1 4.1Å; P598-Y617 HydrophobicContact CB-CE1 3.95Å; P609-Y617 HydrophobicContact CB-CE2 4.05Å; E611-Y617 HydrophobicContact CB-CD1 4.22Å; E611-Y617 HydrophobicContact CB-CD2 4.18Å; E611-Y617 HydrophobicContact CB-CE1 4.01Å; E611-Y617 HydrophobicContact CB-CE2 4Å; E611-Y617 HydrophobicContact CB-CG 4.31Å; E611-Y617 HydrophobicContact CG-CD1 3.92Å; E611-Y617 HydrophobicContact CG-CE1 3.95Å; E611-Y617 HydrophobicContact CG-CG 4.3Å; H615-Y617 VanDerWaalsContact C-N 3.29Å; H615-Y617 VanDerWaalsContact O-CD2 3.29Å; H615-Y617 WeakPolarHBondContact O-CD2 3.2Å; H615-Y617 PolarHBondContact O-N 3.38Å
618A92.8Very high81.2Confident1 Ų167.8 Ų67.81%0.00836%0.363CS..EExtended strand (participates in β ladder)trans-122.9157.5164.700000110.5L533 R534 K535 V596 L597 L599L533-A618 HydrophobicContact CD1-CB 3.95Å; R534-A618 CarbonylContact O-C 3.54Å; R534-A618 WeakPolarHBondContact O-CA 3.48Å; K535-A618 HydrophobicContact CB-CB 4.09Å; V596-A618 WeakPolarHBondContact CA-O 3.48Å; L597-A618 HydrophobicContact CD2-CB 4.23Å; L597-A618 WeakPolarHBondContact CD2-O 3.33Å; L597-A618 HydrophobicContact CG-CB 4.19Å; L597-A618 PolarHBondContact N-O 2.65Å; L597-A618 PolarHBondContact O-N 2.96Å; L599-A618 HydrophobicContact CD1-CB 4.23Å; L599-A618 HydrophobicContact CD2-CB 3.82Å; L599-A618 HydrophobicContact CG-CB 4.19Å
619K94.4Very high79.2Confident39 Ų3968.2 Ų68.217%0.1737%0.368CS..EExtended strand (participates in β ladder)trans-119.3127.8171.9176.8178.6-79.9-155.30109.2R534 E594 R595 V596 L614 L621R534-K619 HydrophobicContact CB-CB 4.34Å; R534-K619 PolarHBondContact N-O 3.23Å; R534-K619 PolarHBondContact O-N 2.83Å; E594-K619 HydrophobicContact CB-CD 4.43Å; E594-K619 HydrophobicContact CB-CG 4.43Å; E594-K619 WeakPolarHBondContact OE1-CE 3.42Å; E594-K619 IonicContact OE1-NZ 2.87Å; E594-K619 PolarHBondContact OE1-NZ 2.79Å; E594-K619 WeakPolarHBondContact OE2-CD 3.39Å; E594-K619 WeakPolarHBondContact OE2-CE 3.18Å; E594-K619 IonicContact OE2-NZ 3.64Å; E594-K619 PolarHBondContact OE2-NZ 2.68Å; R595-K619 CarbonylContact O-C 3.5Å; R595-K619 WeakPolarHBondContact O-CA 3.35Å; V596-K619 HydrophobicContact CG2-CB 4.21Å; V596-K619 HydrophobicContact CG2-CD 4.41Å; V596-K619 VanDerWaalsContact CG2-CE 3.42Å; V596-K619 HydrophobicContact CG2-CG 4.14Å; L614-K619 HydrophobicContact CD1-CB 4.08Å; L614-K619 HydrophobicContact CD2-CB 4.23Å; K619-L621 HydrophobicContact CD-CD1 4.01Å; K619-L621 HydrophobicContact CD-CD2 4.27Å; K619-L621 HydrophobicContact CD-CG 4.08Å; K619-L621 HydrophobicContact CG-CD1 3.81Å; K619-L621 HydrophobicContact CG-CG 4.05Å
620V93.4Very high76.8Confident0 Ų071.6 Ų71.60%039%0.387CS..EExtended strand (participates in β ladder)trans-102.2130.9169.2-174.50000107.9I531 T532 L533 M583 L586 E594 R595 L597I531-V620 HydrophobicContact CG2-CG1 3.77Å; T532-V620 CarbonylContact O-C 3.59Å; T532-V620 WeakPolarHBondContact O-CA 3.45Å; L533-V620 HydrophobicContact CD1-CG2 3.89Å; M583-V620 HydrophobicContact CE-CG1 4.23Å; M583-V620 HydrophobicContact CE-CG2 4.2Å; M583-V620 HydrophobicContact CG-CG1 3.84Å; M583-V620 HydrophobicContact CG-CG2 4.48Å; L586-V620 HydrophobicContact CD1-CB 3.73Å; L586-V620 HydrophobicContact CD1-CG1 3.72Å; E594-V620 CarbonylContact C-O 3.53Å; E594-V620 WeakPolarHBondContact CA-O 3.29Å; R595-V620 PolarHBondContact N-O 2.93Å; R595-V620 PolarHBondContact O-N 2.84Å; L597-V620 HydrophobicContact CD2-CG2 3.83Å
621L93.3Very high74.2Confident26 Ų2675.2 Ų75.214%0.13641%0.412CS..EExtended strand (participates in β ladder)trans-118.7147.8176.5-52.992000109.9I531 T532 R534 R593 E594 K619I531-L621 CarbonylContact C-O 3.5Å; I531-L621 VanDerWaalsContact CA-O 3.29Å; I531-L621 WeakPolarHBondContact CA-O 3.49Å; T532-L621 HydrophobicContact CG2-CD1 4.29Å; T532-L621 PolarHBondContact N-O 2.73Å; T532-L621 PolarHBondContact O-N 2.87Å; R534-L621 HydrophobicContact CB-CD1 4.34Å; R593-L621 CarbonylContact O-C 3.29Å; R593-L621 WeakPolarHBondContact O-CA 3.34Å; E594-L621 HydrophobicContact CB-CD2 4.48Å; E594-L621 HydrophobicContact CB-CG 4.08Å; K619-L621 HydrophobicContact CD-CD1 4.01Å; K619-L621 HydrophobicContact CD-CD2 4.27Å; K619-L621 HydrophobicContact CD-CG 4.08Å; K619-L621 HydrophobicContact CG-CD1 3.81Å; K619-L621 HydrophobicContact CG-CG 4.05Å
622I92.1Very high71.5Confident8 Ų879.7 Ų79.74%0.04145%0.447CS..EExtended strand (participates in β ladder)trans-124.6140.6171.7-158.9169.3000110.7Y529 R530 I531 L586 V587 R593Y529-I622 HydrophobicContact CD1-CD1 3.68Å; Y529-I622 HydrophobicContact CD1-CG1 3.86Å; Y529-I622 HydrophobicContact CD2-CD1 4.16Å; Y529-I622 HydrophobicContact CE1-CD1 4.22Å; Y529-I622 HydrophobicContact CG-CD1 3.65Å; Y529-I622 HydrophobicContact CG-CG1 3.97Å; R530-I622 CarbonylContact O-C 3.49Å; R530-I622 WeakPolarHBondContact O-CA 3.49Å; I531-I622 HydrophobicContact CG1-CD1 4.45Å; I531-I622 HydrophobicContact CG1-CG1 4.21Å; L586-I622 HydrophobicContact CD2-CB 3.84Å; L586-I622 HydrophobicContact CD2-CG2 3.45Å; L586-I622 VanDerWaalsContact CD2-CG2 3.45Å; L586-I622 WeakPolarHBondContact O-CD1 3.49Å; V587-I622 HydrophobicContact CG2-CD1 4.05Å; R593-I622 PolarHBondContact O-N 3.47Å
623R89.3Confident70.9Confident181 Ų18178.2 Ų78.268%0.68343%0.431SS*.EExtended strand (participates in β ladder)trans-134.3139.3170.1-63.4-177.4178.3-176.9-0.8109.6Y529 R530Y529-R623 CarbonylContact C-O 3.59Å; Y529-R623 VanDerWaalsContact CA-O 3.32Å; Y529-R623 WeakPolarHBondContact CA-O 3.37Å; R530-R623 HydrophobicContact CB-CB 4.43Å; R530-R623 PolarHBondContact N-O 3.47Å; R530-R623 PolarHBondContact O-N 3.34Å
624V83.8Confident70.2Confident78 Ų7877.4 Ų77.447%0.47343%0.431SS..EExtended strand (participates in β ladder)trans-72.7131.3172.6-170.30000109.2L527 Y529 N626L527-V624 HydrophobicContact CD2-CG1 4.23Å; Y529-V624 HydrophobicContact CD1-CG2 4.24Å; Y529-V624 HydrophobicContact CE1-CG2 4.03Å; V624-N626 WeakPolarHBondContact CG1-OD1 3.43Å
625I77.5Confident69.2Low44 Ų4480.9 Ų80.923%0.22645%0.451CS..EExtended strand (participates in β ladder)trans-101.899.8167.2-50.6170.9000106.4C528 R530 N550 N627C528-I625 HydrophobicContact CB-CB 4.34Å; C528-I625 PolarHBondContact O-N 3.21Å; R530-I625 HydrophobicContact CB-CD1 3.95Å; R530-I625 HydrophobicContact CB-CG1 4.06Å; N550-I625 WeakPolarHBondContact OD1-CD1 3.42Å; I625-N627 PolarHBondContact O-N 2.76Å
626N56.9Low68.3Low130 Ų13084.7 Ų84.770%0.69547%0.473SS*.  trans-70.6112.9171.1-73.1-7000108.6V624 T628V624-N626 WeakPolarHBondContact CG1-OD1 3.43Å; N626-T628 PolarHBondContact O-N 2.95Å
627N46.9Very low67.2Low133 Ų13388.9 Ų88.971%0.71149%0.492SS*.  trans-65.399.6160.9-84.9-4.9000107.9I625I625-N627 PolarHBondContact O-N 2.76Å
628T37.2Very low65.5Low127 Ų12791.2 Ų91.278%0.77951%0.51SS*.PPolyproline II helixtrans-62.8127.1161.331.30000108.1N626N626-T628 PolarHBondContact O-N 2.95Å
629P33.4Very low63.6Low113 Ų11397.6 Ų97.673%0.73455%0.546SS*.PPolyproline II helixtrans-63.9143.5179.427-33.7000110.2T631P629-T631 PolarHBondContact O-N 2.67Å
630T30.7Very low61.2Low146 Ų146102.2 Ų102.290%0.89658%0.575SS**PPolyproline II helixtrans-51.9122.8174.69.60000110.5
631T31.1Very low58.5Low138 Ų138110.7 Ų110.785%0.84762%0.623SS**PPolyproline II helixtrans-76.4132.3179.4-24.10000110P629P629-T631 PolarHBondContact O-N 2.67Å
632T30.3Very low55.4Low204 Ų204118.4 Ų118.4100%1.25267%0.667SS**  trans-73.20154.648.90000110.7

Retrieved 632 of 632 residues in 195.7 ms (Link to these results)

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