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Acetyl-coenzyme A carboxylase carboxyl transferase subunit beta

Component of the acetyl coenzyme A carboxylase (ACC) complex. Biotin carboxylase (BC) catalyzes the carboxylation of biotin on its carrier protein (BCCP) and then the CO(2) group is transferred by the transcarboxylase to acetyl-CoA to form malonyl-CoA.

AlphaFold DB (Q2FXM6), UniProt , Accession Q99TG2, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene accD, Length 285 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
1M42.9Very low40.5Very low230 Ų230188.8 Ų188.8100%1.13387%0.871SS**  017.50-113.6-175.2-145.900114.3
2F46.4Very low40.6Very low195 Ų195184.7 Ų184.786%0.85585%0.849SS**  trans-137.426.8-171-69.2-73.3000115.6
3K41.8Very low40.9Very low206 Ų206186.7 Ų186.790%0.89685%0.854SS**SBendtrans-97.9-8.9-179.8-85.7-174172.6-179.80115.9
4D43.6Very low41.7Very low159 Ų159177.2 Ų177.285%0.8581%0.808SS**SBendtrans-110.416.4-170.9-69.7-27.7000115.8
5F38.7Very low42.4Very low180 Ų180173.7 Ų173.779%0.78980%0.798SS**SBendtrans-97.1-7.2-174.8-109.8-87000116.7
6F42.5Very low43Very low203 Ų203168.2 Ų168.289%0.8978%0.781SS**SBendtrans-108.8-0.3-170.2-105.7-86.6000117.9
7N37Very low43.8Very low154 Ų154161.1 Ų161.182%0.82475%0.752SS**  trans-10827.7-177.3-99.6-4.9000115.5T9N7-T9 PolarHBondContact O-N 3.09Å; N7-T9 VanDerWaalsContact O-N 3.09Å
8R34.6Very low44.5Very low229 Ų229161.7 Ų161.786%0.86476%0.755SS**  trans-83.959.4169.8-74.4-172.7175.1-173.50111.5K10R8-K10 VanDerWaalsContact C-N 3.26Å; R8-K10 PolarHBondContact O-N 2.92Å
9T39.8Very low44.7Very low122 Ų122159 Ų15975%0.74875%0.746SS**  trans-65.496155.325.40000106.9N7 K11N7-T9 PolarHBondContact O-N 3.09Å; N7-T9 VanDerWaalsContact O-N 3.09Å; T9-K11 PolarHBondContact O-N 2.8Å
10K38.3Very low44.9Very low196 Ų196155 Ų15585%0.85274%0.736SS**  trans-50.6100.1171.3-80178.5176.21750107.8R8 K12R8-K10 VanDerWaalsContact C-N 3.26Å; R8-K10 PolarHBondContact O-N 2.92Å; K10-K12 PolarHBondContact O-N 2.94Å
11K40.3Very low44.9Very low203 Ų203157.9 Ų157.988%0.88375%0.746SS**  trans-60.692.1163.6-80.9-174.4175.81800106.6T9 K13T9-K11 PolarHBondContact O-N 2.8Å; K11-K13 PolarHBondContact O-N 2.81Å; K11-K13 VanDerWaalsContact O-N 3.14Å
12K41.1Very low44.9Very low139 Ų139153.1 Ų153.160%0.60473%0.725SS**  trans-54.4120.2169.1-77.9179.2174.7-178.30106.1K10 Y14K10-K12 PolarHBondContact O-N 2.94Å; K12-Y14 HydrophobicContact CB-CD2 4.14Å; K12-Y14 HydrophobicContact CB-CE1 4.32Å; K12-Y14 HydrophobicContact CB-CE2 3.5Å; K12-Y14 VanDerWaalsContact CB-CE2 3.5Å; K12-Y14 VanDerWaalsContact CD-OH 3.31Å; K12-Y14 WeakPolarHBondContact CD-OH 3.4Å; K12-Y14 WeakPolarHBondContact O-CD2 3.43Å; K12-Y14 WeakPolarHBondContact O-CE2 3.33Å; K12-Y14 PolarHBondContact O-N 2.93Å
13K45.3Very low45.1Very low211 Ų211150 Ų15092%0.91772%0.718SS**  trans-74.393.1175.6-79.8-177.9175.6179.30107.1K11K11-K13 PolarHBondContact O-N 2.81Å; K11-K13 VanDerWaalsContact O-N 3.14Å
14Y51.2Low45.7Very low54 Ų54147.8 Ų147.821%0.21272%0.715CS.*  trans-75.2133174-64.9-78.7000109.9K12 T16 E44 F53K12-Y14 HydrophobicContact CB-CD2 4.14Å; K12-Y14 HydrophobicContact CB-CE1 4.32Å; K12-Y14 HydrophobicContact CB-CE2 3.5Å; K12-Y14 VanDerWaalsContact CB-CE2 3.5Å; K12-Y14 VanDerWaalsContact CD-OH 3.31Å; K12-Y14 WeakPolarHBondContact CD-OH 3.4Å; K12-Y14 WeakPolarHBondContact O-CD2 3.43Å; K12-Y14 WeakPolarHBondContact O-CE2 3.33Å; K12-Y14 PolarHBondContact O-N 2.93Å; Y14-T16 PolarHBondContact O-N 2.89Å; Y14-T16 PolarHBondContact O-OG1 2.79Å; Y14-E44 WeakPolarHBondContact CB-OE2 3.46Å; Y14-E44 HydrophobicContact CD1-CB 4.05Å; Y14-E44 HydrophobicContact CD1-CG 4.46Å; Y14-E44 WeakPolarHBondContact CD1-OE2 3.28Å; Y14-E44 HydrophobicContact CE1-CB 4.46Å; Y14-F53 HydrophobicContact CD1-CD1 4.05Å; Y14-F53 HydrophobicContact CD1-CD2 4.29Å; Y14-F53 AromaticContact CD1-CE1 3.54Å; Y14-F53 HydrophobicContact CD1-CE1 3.54Å; Y14-F53 AromaticContact CD1-CE2 3.86Å; Y14-F53 HydrophobicContact CD1-CE2 3.86Å; Y14-F53 HydrophobicContact CD1-CG 4.38Å; Y14-F53 AromaticContact CD1-CZ 3.44Å; Y14-F53 HydrophobicContact CD1-CZ 3.44Å; Y14-F53 VanDerWaalsContact CD1-CZ 3.44Å; Y14-F53 HydrophobicContact CD2-CB 4.34Å; Y14-F53 AromaticContact CD2-CD1 3.47Å; Y14-F53 HydrophobicContact CD2-CD1 3.47Å; Y14-F53 VanDerWaalsContact CD2-CD1 3.47Å; Y14-F53 HydrophobicContact CD2-CD2 4.47Å; Y14-F53 AromaticContact CD2-CE1 3.75Å; Y14-F53 HydrophobicContact CD2-CE1 3.75Å; Y14-F53 AromaticContact CD2-CG 3.85Å; Y14-F53 HydrophobicContact CD2-CG 3.85Å; Y14-F53 HydrophobicContact CD2-CZ 4.39Å; Y14-F53 AromaticContact CE1-CD1 3.99Å; Y14-F53 HydrophobicContact CE1-CD1 3.99Å; Y14-F53 AromaticContact CE1-CE1 3.2Å; Y14-F53 HydrophobicContact CE1-CE1 3.2Å; Y14-F53 HydrophobicContact CE1-CE2 4.26Å; Y14-F53 AromaticContact CE1-CZ 3.38Å; Y14-F53 HydrophobicContact CE1-CZ 3.38Å; Y14-F53 AromaticContact CE2-CD1 3.41Å; Y14-F53 HydrophobicContact CE2-CD1 3.41Å; Y14-F53 VanDerWaalsContact CE2-CD1 3.41Å; Y14-F53 AromaticContact CE2-CE1 3.45Å; Y14-F53 HydrophobicContact CE2-CE1 3.45Å; Y14-F53 VanDerWaalsContact CE2-CE1 3.45Å; Y14-F53 HydrophobicContact CE2-CG 4.25Å; Y14-F53 HydrophobicContact CE2-CZ 4.35Å; Y14-F53 AromaticContact CG-CD1 3.79Å; Y14-F53 HydrophobicContact CG-CD1 3.79Å; Y14-F53 HydrophobicContact CG-CD2 4.07Å; Y14-F53 AromaticContact CG-CE1 3.79Å; Y14-F53 HydrophobicContact CG-CE1 3.79Å; Y14-F53 HydrophobicContact CG-CE2 4.11Å; Y14-F53 AromaticContact CG-CG 3.91Å; Y14-F53 HydrophobicContact CG-CG 3.91Å; Y14-F53 AromaticContact CG-CZ 3.96Å; Y14-F53 HydrophobicContact CG-CZ 3.96Å; Y14-F53 AromaticContact CZ-CD1 3.67Å; Y14-F53 AromaticContact CZ-CE1 3.15Å; Y14-F53 AromaticContact CZ-CZ 3.86Å
15L53.3Low46.2Very low125 Ų125143 Ų14365%0.65469%0.692SS**  trans-72.9103.2-180-79.8157.9000108.1Y41 E44L15-Y41 HydrophobicContact CB-CD2 4.31Å; L15-Y41 HydrophobicContact CB-CE2 4.07Å; L15-Y41 VanDerWaalsContact O-CD2 3.28Å; L15-Y41 WeakPolarHBondContact O-CD2 3.31Å; L15-Y41 WeakPolarHBondContact O-CE2 3.48Å; L15-E44 PolarHBondContact N-OE2 3.49Å
16T50.8Low47Very low85 Ų85137.9 Ų137.952%0.52168%0.677SS.*PPolyproline II helixtrans-93.3126.2-177.5-56.20000109.2Y14 K38Y14-T16 PolarHBondContact O-N 2.89Å; Y14-T16 PolarHBondContact O-OG1 2.79Å; T16-K38 HydrophobicContact CG2-CD 4.41Å
17V57.7Low47.9Very low48 Ų48133.1 Ų133.129%0.29168%0.675SS.*PPolyproline II helixtrans-77133.9174.5177.70000109.5M30 Y41V17-M30 HydrophobicContact CB-CE 3.84Å; V17-M30 HydrophobicContact CG2-CE 3.34Å; V17-Y41 HydrophobicContact CG2-CE2 3.84Å
18Q55.1Low49.6Very low172 Ų172128.7 Ų128.780%0.80467%0.665SS**PPolyproline II helixtrans-67.2136.3172.2-70.1179.6-7.800108.7S20Q18-S20 VanDerWaalsContact C-N 3.29Å; Q18-S20 PolarHBondContact O-N 3.13Å
19D49.1Very low52.1Low110 Ų110122.6 Ų122.659%0.58865%0.649SS**  trans-60.986.9-179.9-80-61.7000110.6K21 K38D19-K21 PolarHBondContact O-N 3.14Å; D19-K38 IonicContact OD2-NZ 2.79Å
20S48.2Very low54.5Low78 Ų78117.9 Ų117.955%0.54562%0.619SS.*  trans-73.9116.2167.156.90000107.2Q18 N22Q18-S20 VanDerWaalsContact C-N 3.29Å; Q18-S20 PolarHBondContact O-N 3.13Å; S20-N22 PolarHBondContact O-N 3Å; S20-N22 PolarHBondContact OG-O 3.48Å
21K45.2Very low57.1Low217 Ų217110.3 Ų110.394%0.94359%0.589SS**SBendtrans-58.33.1-178.3-91.7-176.5174.6179.50115.6D19D19-K21 PolarHBondContact O-N 3.14Å
22N42.6Very low59.6Low130 Ų130106.5 Ų106.570%0.69557%0.572SS**SBendtrans-146.2143.7178-131.3-8.6000107.2S20S20-N22 PolarHBondContact O-N 3Å; S20-N22 PolarHBondContact OG-O 3.48Å
23N51.8Low62.2Low130 Ų13099.9 Ų99.970%0.69554%0.543SS*.  trans129.5119.5160-64-14000112.4V25N23-V25 PolarHBondContact O-N 2.79Å
24D54Low64.5Low158 Ų15893.1 Ų93.185%0.84552%0.521SS*.  trans-36.8109.7162-61.5-54.5000110.3P26D24-P26 WeakPolarHBondContact O-CD 3.43Å
25V54.4Low66.6Low60 Ų6096.2 Ų96.236%0.36454%0.536SS..  trans-57.3112.2169.3170.40000105.9N23 A27 M30 I39N23-V25 PolarHBondContact O-N 2.79Å; V25-A27 PolarHBondContact O-N 3.47Å; V25-M30 HydrophobicContact CG1-CB 3.41Å; V25-M30 VanDerWaalsContact CG1-CB 3.41Å; V25-M30 WeakPolarHBondContact CG1-O 3.27Å; V25-I39 HydrophobicContact CG2-CD1 4.12Å; V25-I39 HydrophobicContact CG2-CG2 4.42Å
26P55.4Low68.7Low72 Ų7292.4 Ų92.447%0.46852%0.519SS..  trans-59.9116.3-179.1-20.231.7000108.1D24 G28 I29 M30D24-P26 WeakPolarHBondContact O-CD 3.43Å; P26-G28 PolarHBondContact O-N 3.09Å; P26-I29 HydrophobicContact CB-CB 4.35Å; P26-I29 HydrophobicContact CB-CD1 4.04Å; P26-I29 HydrophobicContact CB-CG1 4.34Å; P26-I29 PolarHBondContact O-N 3.42Å; P26-I29 VanDerWaalsContact O-N 3.1Å; P26-M30 PolarHBondContact O-N 3.2Å
27A61.3Low70.8Confident103 Ų10394 Ų9485%0.85152%0.519SS*.THydrogen-bonded Turntrans-55.4129.9-175.400000109.5V25 I29V25-A27 PolarHBondContact O-N 3.47Å; A27-I29 PolarHBondContact O-N 3.24Å
28G72.3Confident72.5Confident60 Ų6093.6 Ų93.662%0.61951%0.513SS*.THydrogen-bonded Turntrans93.4-31.7-17900000115.1P26 T42P26-G28 PolarHBondContact O-N 3.09Å; G28-T42 WeakPolarHBondContact O-CB 3.11Å; G28-T42 PolarHBondContact O-OG1 2.8Å; G28-T42 VanDerWaalsContact O-OG1 3.11Å
29I86.1Confident74.4Confident102 Ų10287.1 Ų87.152%0.52348%0.483SS..THydrogen-bonded Turntrans-83.9-40.2-179.5-56.5-179.2000111.3P26 A27 Y41 T42P26-I29 HydrophobicContact CB-CB 4.35Å; P26-I29 HydrophobicContact CB-CD1 4.04Å; P26-I29 HydrophobicContact CB-CG1 4.34Å; P26-I29 PolarHBondContact O-N 3.42Å; P26-I29 VanDerWaalsContact O-N 3.1Å; A27-I29 PolarHBondContact O-N 3.24Å; I29-Y41 HydrophobicContact CG2-CD1 4.25Å; I29-Y41 HydrophobicContact CG2-CE1 4.38Å; I29-T42 VanDerWaalsContact C-OG1 3.25Å; I29-T42 WeakPolarHBondContact O-CB 3.47Å; I29-T42 PolarHBondContact O-N 3.4Å; I29-T42 PolarHBondContact O-OG1 3.42Å
30M90.9Very high76.6Confident23 Ų2382.3 Ų82.311%0.11346%0.457CS..EExtended strand (participates in β ladder)trans-123.2142.8-173.2-63.6-59.8-82.400110.7V17 V25 P26 I39 M40 Y41 T42V17-M30 HydrophobicContact CB-CE 3.84Å; V17-M30 HydrophobicContact CG2-CE 3.34Å; V25-M30 HydrophobicContact CG1-CB 3.41Å; V25-M30 VanDerWaalsContact CG1-CB 3.41Å; V25-M30 WeakPolarHBondContact CG1-O 3.27Å; P26-M30 PolarHBondContact O-N 3.2Å; M30-I39 HydrophobicContact CB-CG2 3.99Å; M30-I39 HydrophobicContact CE-CG2 3.71Å; M30-M40 CarbonylContact C-O 3.57Å; M30-M40 WeakPolarHBondContact CA-O 3.44Å; M30-Y41 HydrophobicContact CE-CD1 4.42Å; M30-Y41 HydrophobicContact CE-CE1 4.38Å; M30-Y41 HydrophobicContact SD-CD1 3.24Å; M30-Y41 WeakPolarHBondContact SD-CD1 3.45Å; M30-Y41 HydrophobicContact SD-CD2 4.35Å; M30-Y41 HydrophobicContact SD-CE1 3.44Å; M30-Y41 WeakPolarHBondContact SD-CE1 3.31Å; M30-Y41 HydrophobicContact SD-CE2 4.48Å; M30-Y41 HydrophobicContact SD-CG 3.74Å; M30-T42 VanDerWaalsContact C-OG1 3.22Å; M30-T42 PolarHBondContact N-OG1 3.34Å
31T92.1Very high78.7Confident37 Ų3782.8 Ų82.823%0.22745%0.448CS..EExtended strand (participates in β ladder)trans-126.4131.4178.3-65.40000110.1I39 M40 T42 L45T31-I39 WeakPolarHBondContact O-CA 3.46Å; T31-M40 PolarHBondContact N-O 3.38Å; T31-M40 PolarHBondContact O-N 2.92Å; T31-T42 PolarHBondContact N-OG1 3.47Å; T31-T42 PolarHBondContact OG1-OG1 2.88Å; T31-L45 HydrophobicContact CG2-CD2 3.54Å
32K94.4Very high81Confident123 Ų12373.9 Ų73.954%0.53541%0.412SS..EExtended strand (participates in β ladder)trans-93.7126175.1-171.5174.8-174.2171.20110.4K37 I39K32-K37 VanDerWaalsContact CE-O 3.3Å; K32-K37 WeakPolarHBondContact CE-O 3.35Å; K32-K37 WeakPolarHBondContact CG-O 3.48Å; K32-I39 HydrophobicContact CG-CG1 4.41Å
33C95.5Very high83.3Confident0 Ų075 Ų750%041%0.411CS..  trans-63.4127.6175.1-178.60000110.4K35 K37 K38 M40 C52 C55C33-K35 VanDerWaalsContact C-N 3.27Å; C33-K35 PolarHBondContact O-N 3.03Å; C33-K35 PolarHBondContact SG-N 3.07Å; C33-K37 WeakPolarHBondContact O-CA 3.28Å; C33-K37 PolarHBondContact O-N 3.26Å; C33-K38 PolarHBondContact N-O 3.33Å; C33-M40 HydrophobicContact CB-CE 4.03Å; C33-C52 HydrophobicContact CB-CB 4.49Å; C33-C52 VanDerWaalsContact SG-SG 3.67Å; C33-C55 VanDerWaalsContact SG-SG 3.65Å
34P94Very high85.3Confident69 Ų6970.7 Ų70.745%0.44839%0.386SS..THydrogen-bonded Turntrans-67.5-27.7178.727-33.9000112.6K37 I59P34-K37 WeakPolarHBondContact O-CE 3.1Å; P34-K37 PolarHBondContact O-NZ 3.39Å; P34-I59 HydrophobicContact CG-CG1 4.44Å
35K94.5Very high87.2Confident119 Ų11963.3 Ų63.352%0.51735%0.346SS..THydrogen-bonded Turntrans-79.8-69.9179.1-171.5-174.5-178.5-172.80112.2C33 H57C33-K35 VanDerWaalsContact C-N 3.27Å; C33-K35 PolarHBondContact O-N 3.03Å; C33-K35 PolarHBondContact SG-N 3.07Å; K35-H57 HydrophobicContact CB-CB 3.88Å; K35-H57 HydrophobicContact CD-CB 3.68Å; K35-H57 HydrophobicContact CG-CB 4.44Å
36C96.7Very high89.1Confident44 Ų4462 Ų6230%0.29734%0.342SS..THydrogen-bonded Turntrans-91.20.3-174.171.90000115.1K38 C55C36-K38 PolarHBondContact O-N 3.36Å; C36-K38 WeakPolarHBondContact SG-CB 3.31Å; C36-C55 HydrophobicContact CB-CB 3.75Å; C36-C55 PolarHBondContact SG-SG 3.35Å
37K95.2Very high90.9Very high120 Ų12064.2 Ų64.252%0.52235%0.346SS..  trans63.22.1-179-49.7-51.3-177.1-1690115.9K32 C33 P34K32-K37 VanDerWaalsContact CE-O 3.3Å; K32-K37 WeakPolarHBondContact CE-O 3.35Å; K32-K37 WeakPolarHBondContact CG-O 3.48Å; C33-K37 WeakPolarHBondContact O-CA 3.28Å; C33-K37 PolarHBondContact O-N 3.26Å; P34-K37 WeakPolarHBondContact O-CE 3.1Å; P34-K37 PolarHBondContact O-NZ 3.39Å
38K94.6Very high92.5Very high39 Ų3960.3 Ų60.317%0.1731%0.311CS..  trans-62.1136.4175.5-165.770.1-173.31690111.4T16 D19 C33 C36 N54T16-K38 HydrophobicContact CG2-CD 4.41Å; D19-K38 IonicContact OD2-NZ 2.79Å; C33-K38 PolarHBondContact N-O 3.33Å; C36-K38 PolarHBondContact O-N 3.36Å; C36-K38 WeakPolarHBondContact SG-CB 3.31Å; K38-N54 HydrophobicContact CB-CB 4.24Å; K38-N54 HydrophobicContact CG-CB 4.16Å
39I94.3Very high93.7Very high36 Ų3659.5 Ų59.519%0.18529%0.292CS..EExtended strand (participates in β ladder)trans-93.8132.1176.2-45.4178000109.1V25 M30 T31 K32V25-I39 HydrophobicContact CG2-CD1 4.12Å; V25-I39 HydrophobicContact CG2-CG2 4.42Å; M30-I39 HydrophobicContact CB-CG2 3.99Å; M30-I39 HydrophobicContact CE-CG2 3.71Å; T31-I39 WeakPolarHBondContact O-CA 3.46Å; K32-I39 HydrophobicContact CG-CG1 4.41Å
40M94.1Very high94.2Very high9 Ų955.6 Ų55.64%0.04427%0.273CS..EExtended strand (participates in β ladder)trans-133.5154-176.4-59.2170.7-66.700109.6M30 T31 C33 T42 L45 C52 F53 I59M30-M40 CarbonylContact C-O 3.57Å; M30-M40 WeakPolarHBondContact CA-O 3.44Å; T31-M40 PolarHBondContact N-O 3.38Å; T31-M40 PolarHBondContact O-N 2.92Å; C33-M40 HydrophobicContact CB-CE 4.03Å; M40-T42 PolarHBondContact O-N 2.97Å; M40-L45 HydrophobicContact CE-CD1 3.85Å; M40-L45 HydrophobicContact CE-CD2 4.07Å; M40-L45 HydrophobicContact CE-CG 4.5Å; M40-L45 HydrophobicContact SD-CD1 4.35Å; M40-C52 HydrophobicContact CE-CB 4.03Å; M40-C52 HydrophobicContact SD-CB 4.31Å; M40-C52 VanDerWaalsContact SD-SG 3.62Å; M40-F53 HydrophobicContact CB-CD2 4.35Å; M40-F53 HydrophobicContact CB-CE2 4.45Å; M40-F53 HydrophobicContact CG-CD2 4.04Å; M40-F53 HydrophobicContact SD-CB 4.33Å; M40-F53 HydrophobicContact SD-CD2 3.5Å; M40-F53 WeakPolarHBondContact SD-CD2 3.42Å; M40-F53 HydrophobicContact SD-CE2 4.19Å; M40-F53 HydrophobicContact SD-CG 4.22Å; M40-I59 HydrophobicContact CE-CD1 4.14Å
41Y93.6Very high94.5Very high87 Ų8754.5 Ų54.534%0.34127%0.267SS..EExtended strand (participates in β ladder)trans-64.7128.7170.1-74.3-77.3000110.3L15 V17 I29 M30 K43 E44 L45L15-Y41 HydrophobicContact CB-CD2 4.31Å; L15-Y41 HydrophobicContact CB-CE2 4.07Å; L15-Y41 VanDerWaalsContact O-CD2 3.28Å; L15-Y41 WeakPolarHBondContact O-CD2 3.31Å; L15-Y41 WeakPolarHBondContact O-CE2 3.48Å; V17-Y41 HydrophobicContact CG2-CE2 3.84Å; I29-Y41 HydrophobicContact CG2-CD1 4.25Å; I29-Y41 HydrophobicContact CG2-CE1 4.38Å; M30-Y41 HydrophobicContact CE-CD1 4.42Å; M30-Y41 HydrophobicContact CE-CE1 4.38Å; M30-Y41 HydrophobicContact SD-CD1 3.24Å; M30-Y41 WeakPolarHBondContact SD-CD1 3.45Å; M30-Y41 HydrophobicContact SD-CD2 4.35Å; M30-Y41 HydrophobicContact SD-CE1 3.44Å; M30-Y41 WeakPolarHBondContact SD-CE1 3.31Å; M30-Y41 HydrophobicContact SD-CE2 4.48Å; M30-Y41 HydrophobicContact SD-CG 3.74Å; Y41-K43 VanDerWaalsContact C-N 3.26Å; Y41-K43 PolarHBondContact O-N 2.9Å; Y41-E44 PolarHBondContact O-N 2.97Å; Y41-L45 WeakPolarHBondContact O-CB 3.44Å; Y41-L45 PolarHBondContact O-N 2.55Å
42T92.6Very high94.7Very high30 Ų3052.8 Ų52.818%0.18426%0.256CS..Hα-helixtrans-60.9-36.4-177.6-57.90000112G28 I29 M30 T31 M40 A46G28-T42 WeakPolarHBondContact O-CB 3.11Å; G28-T42 PolarHBondContact O-OG1 2.8Å; G28-T42 VanDerWaalsContact O-OG1 3.11Å; I29-T42 VanDerWaalsContact C-OG1 3.25Å; I29-T42 WeakPolarHBondContact O-CB 3.47Å; I29-T42 PolarHBondContact O-N 3.4Å; I29-T42 PolarHBondContact O-OG1 3.42Å; M30-T42 VanDerWaalsContact C-OG1 3.22Å; M30-T42 PolarHBondContact N-OG1 3.34Å; T31-T42 PolarHBondContact N-OG1 3.47Å; T31-T42 PolarHBondContact OG1-OG1 2.88Å; M40-T42 PolarHBondContact O-N 2.97Å; T42-A46 WeakPolarHBondContact O-CB 3.49Å; T42-A46 PolarHBondContact O-N 2.94Å
43K92.3Very high94.8Very high155 Ų15549.7 Ų49.767%0.67424%0.243SC*.Hα-helixtrans-64.9-51.7178.1-173.6-177.9176.4-175.30111.4Y41 L45 A46 E47Y41-K43 VanDerWaalsContact C-N 3.26Å; Y41-K43 PolarHBondContact O-N 2.9Å; K43-L45 VanDerWaalsContact C-N 3.3Å; K43-L45 PolarHBondContact O-N 2.99Å; K43-A46 WeakPolarHBondContact O-CB 3.3Å; K43-A46 PolarHBondContact O-N 2.99Å; K43-A46 VanDerWaalsContact O-N 3.15Å; K43-E47 WeakPolarHBondContact CE-OE1 3.36Å; K43-E47 WeakPolarHBondContact O-CG 3.47Å; K43-E47 PolarHBondContact O-N 3.3Å
44E92.9Very high94.8Very high39 Ų3954.6 Ų54.618%0.18227%0.269CS..Hα-helixtrans-58.8-45.7177-65.4-175.1-17400110.5Y14 L15 Y41 A46 E47 N48 F53Y14-E44 WeakPolarHBondContact CB-OE2 3.46Å; Y14-E44 HydrophobicContact CD1-CB 4.05Å; Y14-E44 HydrophobicContact CD1-CG 4.46Å; Y14-E44 WeakPolarHBondContact CD1-OE2 3.28Å; Y14-E44 HydrophobicContact CE1-CB 4.46Å; L15-E44 PolarHBondContact N-OE2 3.49Å; Y41-E44 PolarHBondContact O-N 2.97Å; E44-A46 VanDerWaalsContact C-N 3.29Å; E44-A46 PolarHBondContact O-N 2.9Å; E44-E47 WeakPolarHBondContact O-CB 3.15Å; E44-E47 PolarHBondContact O-N 3.16Å; E44-E47 VanDerWaalsContact O-N 3.14Å; E44-N48 PolarHBondContact O-N 3.32Å; E44-N48 VanDerWaalsContact O-N 3.08Å; E44-F53 HydrophobicContact CB-CE2 4.1Å; E44-F53 HydrophobicContact CB-CZ 4.1Å; E44-F53 WeakPolarHBondContact O-CZ 3.31Å
45L94.6Very high94.9Very high2 Ų252.7 Ų52.71%0.0126%0.257CS..Hα-helixtrans-58-41.1177.5179.663.4000112.1T31 M40 Y41 K43 N48 L49 N50 V51 F53 I59T31-L45 HydrophobicContact CG2-CD2 3.54Å; M40-L45 HydrophobicContact CE-CD1 3.85Å; M40-L45 HydrophobicContact CE-CD2 4.07Å; M40-L45 HydrophobicContact CE-CG 4.5Å; M40-L45 HydrophobicContact SD-CD1 4.35Å; Y41-L45 WeakPolarHBondContact O-CB 3.44Å; Y41-L45 PolarHBondContact O-N 2.55Å; K43-L45 VanDerWaalsContact C-N 3.3Å; K43-L45 PolarHBondContact O-N 2.99Å; L45-N48 CarbonylContact O-C 3.59Å; L45-N48 PolarHBondContact O-N 3.18Å; L45-L49 PolarHBondContact O-N 2.74Å; L45-N50 WeakPolarHBondContact O-CA 3.42Å; L45-N50 PolarHBondContact O-N 2.8Å; L45-V51 WeakPolarHBondContact CD1-O 3.48Å; L45-F53 HydrophobicContact CB-CE2 4.34Å; L45-I59 HydrophobicContact CD1-CD1 4.27Å; L45-I59 HydrophobicContact CD2-CD1 3.93Å
46A93.2Very high95Very high33 Ų3351.4 Ų51.427%0.27326%0.256SS..Hα-helixtrans-66.5-39.2176.400000112.4T42 K43 E44 N48 L49T42-A46 WeakPolarHBondContact O-CB 3.49Å; T42-A46 PolarHBondContact O-N 2.94Å; K43-A46 WeakPolarHBondContact O-CB 3.3Å; K43-A46 PolarHBondContact O-N 2.99Å; K43-A46 VanDerWaalsContact O-N 3.15Å; E44-A46 VanDerWaalsContact C-N 3.29Å; E44-A46 PolarHBondContact O-N 2.9Å; A46-N48 PolarHBondContact O-N 2.79Å; A46-L49 WeakPolarHBondContact O-CA 3.33Å; A46-L49 PolarHBondContact O-N 2.79Å
47E93.3Very high95.1Very high118 Ų11851.2 Ų51.255%0.55125%0.251SS*.Hα-helixtrans-63.8-22.1173.4-68.9171.6-169.100112.7K43 E44 L49K43-E47 WeakPolarHBondContact CE-OE1 3.36Å; K43-E47 WeakPolarHBondContact O-CG 3.47Å; K43-E47 PolarHBondContact O-N 3.3Å; E44-E47 WeakPolarHBondContact O-CB 3.15Å; E44-E47 PolarHBondContact O-N 3.16Å; E44-E47 VanDerWaalsContact O-N 3.14Å; E47-L49 VanDerWaalsContact C-N 3.34Å
48N95.6Very high95.2Very high21 Ų2146 Ų4611%0.11223%0.229CC..THydrogen-bonded Turntrans-100.929.6171-164.252.3000112.4E44 L45 A46 N50 V51 F53 N267E44-N48 PolarHBondContact O-N 3.32Å; E44-N48 VanDerWaalsContact O-N 3.08Å; L45-N48 CarbonylContact O-C 3.59Å; L45-N48 PolarHBondContact O-N 3.18Å; A46-N48 PolarHBondContact O-N 2.79Å; N48-N50 PolarHBondContact O-N 3.45Å; N48-N50 VanDerWaalsContact O-N 3.1Å; N48-V51 PolarHBondContact ND2-O 3.49Å; N48-V51 WeakPolarHBondContact O-CB 3.49Å; N48-V51 PolarHBondContact O-N 3.42Å; N48-F53 HydrophobicContact CB-CD1 4.24Å; N48-F53 HydrophobicContact CB-CE1 3.2Å; N48-F53 HydrophobicContact CB-CZ 3.62Å; N48-F53 WeakPolarHBondContact ND2-CD1 3.3Å; N48-F53 WeakPolarHBondContact ND2-CE1 3.22Å; N48-N267 PolarHBondContact OD1-ND2 2.88Å
49L96.8Very high95.2Very high44 Ų4445.3 Ų45.323%0.2323%0.226CC..THydrogen-bonded Turntrans54.834.2174.2-54.6178.8000113.5L45 A46 E47 V51 A69 R266L45-L49 PolarHBondContact O-N 2.74Å; A46-L49 WeakPolarHBondContact O-CA 3.33Å; A46-L49 PolarHBondContact O-N 2.79Å; E47-L49 VanDerWaalsContact C-N 3.34Å; L49-V51 PolarHBondContact O-N 3.26Å; L49-A69 HydrophobicContact CD2-CB 3.75Å; L49-R266 HydrophobicContact CB-CG 3.92Å; L49-R266 HydrophobicContact CD1-CG 4.13Å; L49-R266 WeakPolarHBondContact CD1-O 2.98Å; L49-R266 WeakPolarHBondContact O-CD 3.41Å; L49-R266 PolarHBondContact O-NH1 2.7Å
50N96.2Very high95.2Very high20 Ų2046.3 Ų46.311%0.10724%0.24CC..THydrogen-bonded Turntrans59.428.3-174.7-73.27.8000114.7L45 N48 I59 A60 L61 R266L45-N50 WeakPolarHBondContact O-CA 3.42Å; L45-N50 PolarHBondContact O-N 2.8Å; N48-N50 PolarHBondContact O-N 3.45Å; N48-N50 VanDerWaalsContact O-N 3.1Å; N50-I59 HydrophobicContact CB-CB 4.25Å; N50-I59 VanDerWaalsContact O-CB 3.29Å; N50-I59 WeakPolarHBondContact O-CB 3.28Å; N50-I59 PolarHBondContact O-N 3.13Å; N50-A60 PolarHBondContact ND2-O 3.18Å; N50-L61 HydrophobicContact CB-CD2 3.7Å; N50-L61 HydrophobicContact CB-CG 4.12Å; N50-R266 PolarHBondContact O-NH1 2.92Å
51V98.2Very high95.3Very high0 Ų046.8 Ų46.80%024%0.242CC..BIsolated β-bridgetrans-93.1127.5168-176.40000109.7L45 N48 L49 F53 D56 R266L45-V51 WeakPolarHBondContact CD1-O 3.48Å; N48-V51 PolarHBondContact ND2-O 3.49Å; N48-V51 WeakPolarHBondContact O-CB 3.49Å; N48-V51 PolarHBondContact O-N 3.42Å; L49-V51 PolarHBondContact O-N 3.26Å; V51-F53 PolarHBondContact O-N 3.29Å; V51-D56 WeakPolarHBondContact CG1-OD1 3.36Å; V51-R266 HydrophobicContact CG2-CB 3.76Å; V51-R266 HydrophobicContact CG2-CG 4.49Å
52C97.2Very high95.4Very high0 Ų044.1 Ų44.10%024%0.236CC..  trans-67.8121.2-178.5177.90000112.2C33 M40 N54 C55 D56 H57 I59C33-C52 HydrophobicContact CB-CB 4.49Å; C33-C52 VanDerWaalsContact SG-SG 3.67Å; M40-C52 HydrophobicContact CE-CB 4.03Å; M40-C52 HydrophobicContact SD-CB 4.31Å; M40-C52 VanDerWaalsContact SD-SG 3.62Å; C52-N54 PolarHBondContact O-N 3.29Å; C52-C55 PolarHBondContact O-N 3.4Å; C52-D56 WeakPolarHBondContact O-CA 3.5Å; C52-D56 PolarHBondContact O-N 3.06Å; C52-H57 HydrophobicContact CB-CB 4.24Å; C52-H57 PolarHBondContact N-O 2.66Å; C52-I59 HydrophobicContact CB-CD1 4.44Å
53F94.5Very high95.7Very high58 Ų5842.7 Ų42.725%0.25423%0.227SC..THydrogen-bonded Turntrans-58.3-22.8178.7-52.1-59.2000115.6Y14 M40 E44 L45 N48 V51Y14-F53 HydrophobicContact CD1-CD1 4.05Å; Y14-F53 HydrophobicContact CD1-CD2 4.29Å; Y14-F53 AromaticContact CD1-CE1 3.54Å; Y14-F53 HydrophobicContact CD1-CE1 3.54Å; Y14-F53 AromaticContact CD1-CE2 3.86Å; Y14-F53 HydrophobicContact CD1-CE2 3.86Å; Y14-F53 HydrophobicContact CD1-CG 4.38Å; Y14-F53 AromaticContact CD1-CZ 3.44Å; Y14-F53 HydrophobicContact CD1-CZ 3.44Å; Y14-F53 VanDerWaalsContact CD1-CZ 3.44Å; Y14-F53 HydrophobicContact CD2-CB 4.34Å; Y14-F53 AromaticContact CD2-CD1 3.47Å; Y14-F53 HydrophobicContact CD2-CD1 3.47Å; Y14-F53 VanDerWaalsContact CD2-CD1 3.47Å; Y14-F53 HydrophobicContact CD2-CD2 4.47Å; Y14-F53 AromaticContact CD2-CE1 3.75Å; Y14-F53 HydrophobicContact CD2-CE1 3.75Å; Y14-F53 AromaticContact CD2-CG 3.85Å; Y14-F53 HydrophobicContact CD2-CG 3.85Å; Y14-F53 HydrophobicContact CD2-CZ 4.39Å; Y14-F53 AromaticContact CE1-CD1 3.99Å; Y14-F53 HydrophobicContact CE1-CD1 3.99Å; Y14-F53 AromaticContact CE1-CE1 3.2Å; Y14-F53 HydrophobicContact CE1-CE1 3.2Å; Y14-F53 HydrophobicContact CE1-CE2 4.26Å; Y14-F53 AromaticContact CE1-CZ 3.38Å; Y14-F53 HydrophobicContact CE1-CZ 3.38Å; Y14-F53 AromaticContact CE2-CD1 3.41Å; Y14-F53 HydrophobicContact CE2-CD1 3.41Å; Y14-F53 VanDerWaalsContact CE2-CD1 3.41Å; Y14-F53 AromaticContact CE2-CE1 3.45Å; Y14-F53 HydrophobicContact CE2-CE1 3.45Å; Y14-F53 VanDerWaalsContact CE2-CE1 3.45Å; Y14-F53 HydrophobicContact CE2-CG 4.25Å; Y14-F53 HydrophobicContact CE2-CZ 4.35Å; Y14-F53 AromaticContact CG-CD1 3.79Å; Y14-F53 HydrophobicContact CG-CD1 3.79Å; Y14-F53 HydrophobicContact CG-CD2 4.07Å; Y14-F53 AromaticContact CG-CE1 3.79Å; Y14-F53 HydrophobicContact CG-CE1 3.79Å; Y14-F53 HydrophobicContact CG-CE2 4.11Å; Y14-F53 AromaticContact CG-CG 3.91Å; Y14-F53 HydrophobicContact CG-CG 3.91Å; Y14-F53 AromaticContact CG-CZ 3.96Å; Y14-F53 HydrophobicContact CG-CZ 3.96Å; Y14-F53 AromaticContact CZ-CD1 3.67Å; Y14-F53 AromaticContact CZ-CE1 3.15Å; Y14-F53 AromaticContact CZ-CZ 3.86Å; M40-F53 HydrophobicContact CB-CD2 4.35Å; M40-F53 HydrophobicContact CB-CE2 4.45Å; M40-F53 HydrophobicContact CG-CD2 4.04Å; M40-F53 HydrophobicContact SD-CB 4.33Å; M40-F53 HydrophobicContact SD-CD2 3.5Å; M40-F53 WeakPolarHBondContact SD-CD2 3.42Å; M40-F53 HydrophobicContact SD-CE2 4.19Å; M40-F53 HydrophobicContact SD-CG 4.22Å; E44-F53 HydrophobicContact CB-CE2 4.1Å; E44-F53 HydrophobicContact CB-CZ 4.1Å; E44-F53 WeakPolarHBondContact O-CZ 3.31Å; L45-F53 HydrophobicContact CB-CE2 4.34Å; N48-F53 HydrophobicContact CB-CD1 4.24Å; N48-F53 HydrophobicContact CB-CE1 3.2Å; N48-F53 HydrophobicContact CB-CZ 3.62Å; N48-F53 WeakPolarHBondContact ND2-CD1 3.3Å; N48-F53 WeakPolarHBondContact ND2-CE1 3.22Å; V51-F53 PolarHBondContact O-N 3.29Å
54N95.9Very high95.9Very high104 Ų10439.2 Ų39.256%0.55621%0.21SC*.THydrogen-bonded Turntrans-96.4-36.4-173-175.697.1000113.1K38 C52K38-N54 HydrophobicContact CB-CB 4.24Å; K38-N54 HydrophobicContact CG-CB 4.16Å; C52-N54 PolarHBondContact O-N 3.29Å
55C97Very high96.1Very high29 Ų2941.1 Ų41.120%0.19622%0.218CC..THydrogen-bonded Turntrans-133.58.4-171.372.10000114.3C33 C36 C52 H57C33-C55 VanDerWaalsContact SG-SG 3.65Å; C36-C55 HydrophobicContact CB-CB 3.75Å; C36-C55 PolarHBondContact SG-SG 3.35Å; C52-C55 PolarHBondContact O-N 3.4Å; C55-H57 PolarHBondContact O-N 3.05Å; C55-H57 VanDerWaalsContact SG-CB 3.57Å
56D96.7Very high96.3Very high92 Ų9241.4 Ų41.449%0.49222%0.218SC..  trans58.322.1177.6-145.544.2000114.1V51 C52 H58 H265V51-D56 WeakPolarHBondContact CG1-OD1 3.36Å; C52-D56 WeakPolarHBondContact O-CA 3.5Å; C52-D56 PolarHBondContact O-N 3.06Å; D56-H58 PolarHBondContact O-CD2 3.44Å; D56-H58 PolarHBondContact O-N 3.31Å; D56-H265 IonicContact OD1-NE2 3.26Å; D56-H265 PolarHBondContact OD1-NE2 2.8Å; D56-H265 IonicContact OD2-CD2 3.54Å; D56-H265 IonicContact OD2-NE2 3.63Å
57H97.5Very high96.6Very high39 Ų3940 Ų4018%0.18121%0.206CC..  trans-75.6126.9177.5-174.958.7000110.8K35 C52 C55 I59K35-H57 HydrophobicContact CB-CB 3.88Å; K35-H57 HydrophobicContact CD-CB 3.68Å; K35-H57 HydrophobicContact CG-CB 4.44Å; C52-H57 HydrophobicContact CB-CB 4.24Å; C52-H57 PolarHBondContact N-O 2.66Å; C55-H57 PolarHBondContact O-N 3.05Å; C55-H57 VanDerWaalsContact SG-CB 3.57Å; H57-I59 PolarHBondContact O-N 3.3Å; H57-I59 VanDerWaalsContact O-N 3.16Å
58H97.7Very high96.8Very high12 Ų1241.5 Ų41.56%0.05621%0.214CC..BIsolated β-bridgetrans-7695.5174.7-75.1-132.1000110.3D56 E223 P224 H265 R266D56-H58 PolarHBondContact O-CD2 3.44Å; D56-H58 PolarHBondContact O-N 3.31Å; H58-E223 IonicContact ND1-OE1 3.3Å; H58-P224 WeakPolarHBondContact CE1-CD 3.44Å; H58-P224 WeakPolarHBondContact NE2-CG 3.38Å; H58-H265 AromaticContact NE2-CD2 3.29Å; H58-H265 PolarHBondContact NE2-CD2 2.74Å; H58-H265 VanDerWaalsContact NE2-CD2 3.29Å; H58-H265 AromaticContact NE2-NE2 3.67Å; H58-R266 PolarHBondContact CE1-N 2.83Å
59I96.1Very high96.9Very high23 Ų2341.4 Ų41.412%0.11822%0.215CC..PPolyproline II helixtrans-74.3147.1176.2-57.5168.4000108.3P34 M40 L45 N50 C52 H57 L61 R266P34-I59 HydrophobicContact CG-CG1 4.44Å; M40-I59 HydrophobicContact CE-CD1 4.14Å; L45-I59 HydrophobicContact CD1-CD1 4.27Å; L45-I59 HydrophobicContact CD2-CD1 3.93Å; N50-I59 HydrophobicContact CB-CB 4.25Å; N50-I59 VanDerWaalsContact O-CB 3.29Å; N50-I59 WeakPolarHBondContact O-CB 3.28Å; N50-I59 PolarHBondContact O-N 3.13Å; C52-I59 HydrophobicContact CB-CD1 4.44Å; H57-I59 PolarHBondContact O-N 3.3Å; H57-I59 VanDerWaalsContact O-N 3.16Å; I59-L61 PolarHBondContact O-N 3.39Å; I59-R266 PolarHBondContact O-NH1 2.74Å; I59-R266 PolarHBondContact O-NH2 3.06Å; I59-R266 VanDerWaalsContact O-NH2 3.16Å
60A93.6Very high97Very high58 Ų5839.3 Ų39.348%0.47920%0.204SC..PPolyproline II helixtrans-52.3137-178.700000112.4N50N50-A60 PolarHBondContact ND2-O 3.18Å
61L95.1Very high97.1Very high18 Ų1838.9 Ų38.99%0.09420%0.203CC..PPolyproline II helixtrans-99.5148.8167.6-79.8174.7000109.3N50 I59 K65N50-L61 HydrophobicContact CB-CD2 3.7Å; N50-L61 HydrophobicContact CB-CG 4.12Å; I59-L61 PolarHBondContact O-N 3.39Å; L61-K65 HydrophobicContact CD2-CB 3.99Å; L61-K65 HydrophobicContact CD2-CD 4.3Å
62T96.7Very high97.1Very high32 Ų3240.6 Ų40.620%0.19621%0.212CC..PPolyproline II helixtrans-72.7157.7168.168.90000109.7Y64 K65 R66 D129T62-Y64 VanDerWaalsContact C-N 3.34Å; T62-Y64 PolarHBondContact O-N 3.24Å; T62-K65 PolarHBondContact O-N 3.24Å; T62-K65 WeakPolarHBondContact OG1-CB 3.3Å; T62-K65 WeakPolarHBondContact OG1-CG 3.27Å; T62-K65 PolarHBondContact OG1-N 2.93Å; T62-R66 PolarHBondContact O-N 3.26Å; T62-D129 WeakPolarHBondContact CA-OD2 3.22Å
63A98.3Very high97.1Very high0 Ų050.3 Ų50.30%026%0.258CS..Hα-helixtrans-55.7-47179.800000112.8K65 R66 I67 V112 V127 D129A63-K65 PolarHBondContact O-N 2.91Å; A63-R66 WeakPolarHBondContact O-CB 3.44Å; A63-R66 PolarHBondContact O-N 2.69Å; A63-I67 WeakPolarHBondContact O-CG1 3.4Å; A63-I67 PolarHBondContact O-N 2.74Å; A63-V112 HydrophobicContact CB-CB 3.99Å; A63-V112 HydrophobicContact CB-CG2 3.63Å; A63-V127 HydrophobicContact CB-CB 4.04Å; A63-V127 HydrophobicContact CB-CG1 3.85Å; A63-D129 HydrophobicContact CB-CB 4.07Å; A63-D129 PolarHBondContact N-OD2 3.26Å
64Y97.9Very high97.3Very high81 Ų8151.5 Ų51.532%0.31829%0.286SS..Hα-helixtrans-63.8-41.4178.5-70.2-75.1000113.5T62 R66 I67 E68 F76 E78 K81 L107 V112T62-Y64 VanDerWaalsContact C-N 3.34Å; T62-Y64 PolarHBondContact O-N 3.24Å; Y64-R66 VanDerWaalsContact C-N 3.27Å; Y64-R66 PolarHBondContact O-N 3.32Å; Y64-I67 PolarHBondContact O-N 3.38Å; Y64-E68 WeakPolarHBondContact O-CB 3.18Å; Y64-E68 PolarHBondContact O-N 3.46Å; Y64-F76 HydrophobicContact CE1-CE1 4.39Å; Y64-E78 VanDerWaalsContact OH-CD 3.31Å; Y64-E78 PolarHBondContact OH-OE1 3.2Å; Y64-E78 VanDerWaalsContact OH-OE1 3.04Å; Y64-E78 PolarHBondContact OH-OE2 2.78Å; Y64-K81 PolarHBondContact OH-NZ 2.82Å; Y64-L107 HydrophobicContact CD2-CD2 4.11Å; Y64-L107 HydrophobicContact CE2-CD2 3.55Å; Y64-V112 HydrophobicContact CD1-CG1 4.49Å; Y64-V112 HydrophobicContact CE1-CG1 4.06Å; Y64-V112 HydrophobicContact CE2-CG2 4.11Å
65K97.2Very high97.4Very high79 Ų7947.5 Ų47.534%0.34327%0.266SS..Hα-helixtrans-65-33.6177-74.6-174.9171.8-168.10112L61 T62 A63 A69L61-K65 HydrophobicContact CD2-CB 3.99Å; L61-K65 HydrophobicContact CD2-CD 4.3Å; T62-K65 PolarHBondContact O-N 3.24Å; T62-K65 WeakPolarHBondContact OG1-CB 3.3Å; T62-K65 WeakPolarHBondContact OG1-CG 3.27Å; T62-K65 PolarHBondContact OG1-N 2.93Å; A63-K65 PolarHBondContact O-N 2.91Å; K65-A69 VanDerWaalsContact O-CB 3.28Å; K65-A69 WeakPolarHBondContact O-CB 3.36Å; K65-A69 PolarHBondContact O-N 3.31Å
66R98.1Very high97.5Very high8 Ų848.6 Ų48.63%0.0327%0.268CS..Hα-helixtrans-64.9-46.1173.9-178.472.967.3172.24.9111.2T62 A63 Y64 A69 I70 V127 F162 E223 M269T62-R66 PolarHBondContact O-N 3.26Å; A63-R66 WeakPolarHBondContact O-CB 3.44Å; A63-R66 PolarHBondContact O-N 2.69Å; Y64-R66 VanDerWaalsContact C-N 3.27Å; Y64-R66 PolarHBondContact O-N 3.32Å; R66-A69 PolarHBondContact O-N 3.02Å; R66-I70 PolarHBondContact O-N 2.99Å; R66-V127 HydrophobicContact CB-CG1 3.81Å; R66-V127 HydrophobicContact CB-CG2 4.45Å; R66-V127 HydrophobicContact CG-CG1 3.81Å; R66-V127 HydrophobicContact CG-CG2 4.08Å; R66-F162 HydrophobicContact CG-CD1 4.01Å; R66-F162 HydrophobicContact CG-CD2 4.25Å; R66-F162 HydrophobicContact CG-CE1 4.21Å; R66-F162 HydrophobicContact CG-CE2 4.43Å; R66-F162 HydrophobicContact CG-CG 4.01Å; R66-F162 HydrophobicContact CG-CZ 4.39Å; R66-E223 IonicContact CZ-OE1 2.71Å; R66-E223 IonicContact CZ-OE2 3.82Å; R66-E223 IonicContact NH1-OE1 3.75Å; R66-E223 PolarHBondContact NH1-OE1 3.46Å; R66-E223 IonicContact NH1-OE2 3.65Å; R66-E223 IonicContact NH2-OE1 2.77Å; R66-E223 PolarHBondContact NH2-OE1 3.39Å; R66-E223 IonicContact NH2-OE2 2.89Å; R66-E223 PolarHBondContact NH2-OE2 3.38Å; R66-M269 PolarHBondContact NH1-SD 3.11Å; R66-M269 VanDerWaalsContact NH1-SD 3.36Å
67I98.7Very high97.6Very high4 Ų448.1 Ų48.12%0.02127%0.269CS..Hα-helixtrans-61.5-47.8178.6-67.4166000109.8A63 Y64 A69 I70 S71 F76 V112 V125 V127A63-I67 WeakPolarHBondContact O-CG1 3.4Å; A63-I67 PolarHBondContact O-N 2.74Å; Y64-I67 PolarHBondContact O-N 3.38Å; I67-A69 VanDerWaalsContact C-N 3.3Å; I67-A69 PolarHBondContact O-N 3.05Å; I67-I70 WeakPolarHBondContact O-CG1 3.2Å; I67-I70 PolarHBondContact O-N 3.39Å; I67-S71 WeakPolarHBondContact O-CB 3.48Å; I67-S71 PolarHBondContact O-N 2.75Å; I67-S71 PolarHBondContact O-OG 3.49Å; I67-F76 HydrophobicContact CD1-CE1 4.07Å; I67-F76 HydrophobicContact CD1-CE2 3.98Å; I67-F76 HydrophobicContact CD1-CZ 3.7Å; I67-F76 HydrophobicContact CG2-CB 3.95Å; I67-F76 HydrophobicContact CG2-CD1 3.97Å; I67-F76 HydrophobicContact CG2-CD2 3.55Å; I67-F76 HydrophobicContact CG2-CE1 4.39Å; I67-F76 HydrophobicContact CG2-CE2 4.02Å; I67-F76 HydrophobicContact CG2-CG 3.53Å; I67-F76 HydrophobicContact CG2-CZ 4.42Å; I67-V112 HydrophobicContact CD1-CB 4.04Å; I67-V112 HydrophobicContact CD1-CG1 3.56Å; I67-V125 HydrophobicContact CG1-CG1 4.43Å; I67-V127 HydrophobicContact CD1-CB 4.43Å; I67-V127 HydrophobicContact CD1-CG2 4.11Å; I67-V127 HydrophobicContact CG1-CB 4.3Å; I67-V127 HydrophobicContact CG1-CG2 3.55Å
68E98.1Very high97.6Very high150 Ų15048.3 Ų48.370%0.70127%0.27SS*.Hα-helixtrans-57.8-41.1175.3-176-178.2-165.500112.1Y64 I70Y64-E68 WeakPolarHBondContact O-CB 3.18Å; Y64-E68 PolarHBondContact O-N 3.46Å; E68-I70 PolarHBondContact O-N 3.07Å
69A97.6Very high97.7Very high18 Ų1849.8 Ų49.815%0.14928%0.276CS..Hα-helixtrans-66.3-20.7-17900000114.7L49 K65 R66 I67 M269L49-A69 HydrophobicContact CD2-CB 3.75Å; K65-A69 VanDerWaalsContact O-CB 3.28Å; K65-A69 WeakPolarHBondContact O-CB 3.36Å; K65-A69 PolarHBondContact O-N 3.31Å; R66-A69 PolarHBondContact O-N 3.02Å; I67-A69 VanDerWaalsContact C-N 3.3Å; I67-A69 PolarHBondContact O-N 3.05Å; A69-M269 HydrophobicContact CB-CE 3.98Å
70I97.9Very high97.8Very high0 Ų051 Ų510%028%0.282CS..Hα-helixtrans-112.8-17.3-178.966174.9000113.5R66 I67 E68 L118 F123 V125 F162 M269 L273R66-I70 PolarHBondContact O-N 2.99Å; I67-I70 WeakPolarHBondContact O-CG1 3.2Å; I67-I70 PolarHBondContact O-N 3.39Å; E68-I70 PolarHBondContact O-N 3.07Å; I70-L118 WeakPolarHBondContact O-CD1 3.44Å; I70-F123 HydrophobicContact CD1-CE2 4.06Å; I70-F123 HydrophobicContact CD1-CZ 3.96Å; I70-F123 HydrophobicContact CG1-CZ 4.25Å; I70-V125 HydrophobicContact CD1-CG2 4.22Å; I70-F162 HydrophobicContact CD1-CE2 3.54Å; I70-F162 HydrophobicContact CD1-CZ 3.93Å; I70-F162 HydrophobicContact CG2-CZ 4.25Å; I70-M269 HydrophobicContact CG2-CE 3.48Å; I70-M269 VanDerWaalsContact CG2-CE 3.48Å; I70-M269 HydrophobicContact CG2-CG 4.09Å; I70-M269 HydrophobicContact CG2-SD 3.93Å; I70-L273 HydrophobicContact CB-CD1 4.44Å; I70-L273 HydrophobicContact CG2-CD1 3.92Å
71S98.5Very high98Very high12 Ų1254 Ų548%0.08428%0.284CS..SBendtrans-98.7151.4-171.8-50.70000110.9I67 A116 Q117I67-S71 WeakPolarHBondContact O-CB 3.48Å; I67-S71 PolarHBondContact O-N 2.75Å; I67-S71 PolarHBondContact O-OG 3.49Å; S71-A116 WeakPolarHBondContact OG-CB 3.25Å; S71-Q117 CarbonylContact C-O 3.57Å; S71-Q117 VanDerWaalsContact CA-O 3.28Å; S71-Q117 WeakPolarHBondContact CA-O 3.35Å
72D98.7Very high98.1Very high36 Ų3656 Ų5619%0.19331%0.31CS..PPolyproline II helixtrans-64.2144.6166.5-60.3-22.1000109.4G74 S75 Q117 D119 G120 R270D72-G74 PolarHBondContact O-N 3.41Å; D72-S75 WeakPolarHBondContact O-CB 3.46Å; D72-S75 PolarHBondContact O-N 3.02Å; D72-S75 VanDerWaalsContact O-N 3.13Å; D72-S75 PolarHBondContact O-OG 2.92Å; D72-Q117 HydrophobicContact CB-CB 4.34Å; D72-Q117 PolarHBondContact N-O 3.35Å; D72-D119 VanDerWaalsContact CG-N 3.34Å; D72-D119 PolarHBondContact OD1-N 3.33Å; D72-D119 PolarHBondContact OD2-N 3.19Å; D72-G120 PolarHBondContact OD2-N 2.64Å; D72-R270 IonicContact OD1-CZ 3.96Å; D72-R270 IonicContact OD1-NH2 2.79Å; D72-R270 PolarHBondContact OD1-NH2 2.98Å
73E97.9Very high98.1Very high204 Ų20456.5 Ų56.595%0.95331%0.31SS*.THydrogen-bonded Turntrans-56.4131.7-174.9-170.7175.9179.900111.5S75E73-S75 PolarHBondContact O-N 3.32Å; E73-S75 VanDerWaalsContact O-N 3.12Å
74G97.5Very high98.1Very high83 Ų8359.6 Ų59.686%0.85633%0.329SS*.THydrogen-bonded Turntrans69.81.9178.600000115.9D72D72-G74 PolarHBondContact O-N 3.41Å
75S98.6Very high98Very high19 Ų1956 Ų5613%0.13332%0.316CS..  trans-81.6-17.6-176.169.70000114.6D72 E73 T77 Q117D72-S75 WeakPolarHBondContact O-CB 3.46Å; D72-S75 PolarHBondContact O-N 3.02Å; D72-S75 VanDerWaalsContact O-N 3.13Å; D72-S75 PolarHBondContact O-OG 2.92Å; E73-S75 PolarHBondContact O-N 3.32Å; E73-S75 VanDerWaalsContact O-N 3.12Å; S75-T77 PolarHBondContact O-N 2.79Å; S75-Q117 PolarHBondContact OG-N 3.46Å; S75-Q117 PolarHBondContact OG-O 2.79Å
76F98.8Very high97.9Very high53 Ų5355.1 Ų55.123%0.23232%0.324CS..  trans-75.8123.8-173.9-179.8-116.2000112.6Y64 I67 E78 V112 T115 A116 V125Y64-F76 HydrophobicContact CE1-CE1 4.39Å; I67-F76 HydrophobicContact CD1-CE1 4.07Å; I67-F76 HydrophobicContact CD1-CE2 3.98Å; I67-F76 HydrophobicContact CD1-CZ 3.7Å; I67-F76 HydrophobicContact CG2-CB 3.95Å; I67-F76 HydrophobicContact CG2-CD1 3.97Å; I67-F76 HydrophobicContact CG2-CD2 3.55Å; I67-F76 HydrophobicContact CG2-CE1 4.39Å; I67-F76 HydrophobicContact CG2-CE2 4.02Å; I67-F76 HydrophobicContact CG2-CG 3.53Å; I67-F76 HydrophobicContact CG2-CZ 4.42Å; F76-E78 HydrophobicContact CE1-CB 3.65Å; F76-E78 HydrophobicContact CE1-CG 4.1Å; F76-E78 HydrophobicContact CZ-CB 3.85Å; F76-E78 HydrophobicContact CZ-CG 4.07Å; F76-V112 HydrophobicContact CE1-CG1 4.1Å; F76-V112 HydrophobicContact CZ-CG1 3.76Å; F76-T115 CarbonylContact C-O 3.48Å; F76-T115 WeakPolarHBondContact CA-O 3.44Å; F76-T115 WeakPolarHBondContact CD2-O 3.34Å; F76-A116 HydrophobicContact CB-CB 4.43Å; F76-A116 HydrophobicContact CD2-CB 4.19Å; F76-V125 HydrophobicContact CD2-CG1 4.24Å; F76-V125 HydrophobicContact CE2-CG1 3.81Å
77T98.8Very high97.9Very high82 Ų8256.6 Ų56.650%0.50333%0.332SS..EExtended strand (participates in β ladder)trans-117111.2172.4-57.90000109.3S75 F79 G114 T115S75-T77 PolarHBondContact O-N 2.79Å; T77-F79 HydrophobicContact CG2-CE1 4.25Å; T77-G114 CarbonylContact O-C 3.45Å; T77-G114 WeakPolarHBondContact O-CA 3.43Å; T77-T115 PolarHBondContact N-O 3.03Å; T77-T115 PolarHBondContact O-N 2.74Å
78E98.8Very high97.7Very high43 Ų4359.6 Ų59.620%0.20135%0.352CS..EExtended strand (participates in β ladder)trans-78138.3-176.4-168.1177.9179.600112.6Y64 F76 K81 V112Y64-E78 VanDerWaalsContact OH-CD 3.31Å; Y64-E78 PolarHBondContact OH-OE1 3.2Å; Y64-E78 VanDerWaalsContact OH-OE1 3.04Å; Y64-E78 PolarHBondContact OH-OE2 2.78Å; F76-E78 HydrophobicContact CE1-CB 3.65Å; F76-E78 HydrophobicContact CE1-CG 4.1Å; F76-E78 HydrophobicContact CZ-CB 3.85Å; F76-E78 HydrophobicContact CZ-CG 4.07Å; E78-K81 HydrophobicContact CG-CB 4.19Å; E78-K81 WeakPolarHBondContact OE1-CG 3.33Å; E78-K81 VanDerWaalsContact OE2-CD 3.23Å; E78-K81 WeakPolarHBondContact OE2-CD 3.49Å; E78-K81 VanDerWaalsContact OE2-CE 3.29Å; E78-K81 WeakPolarHBondContact OE2-CE 3.49Å; E78-K81 IonicContact OE2-NZ 3.75Å; E78-K81 PolarHBondContact OE2-NZ 3.18Å; E78-V112 HydrophobicContact CG-CG1 4.1Å
79F98.7Very high97.6Very high43 Ų4356.4 Ų56.419%0.18934%0.339CS..EExtended strand (participates in β ladder)trans-106.7149.4175.1-66.3-5.1000111.6T77 K81 T113 T115 I148 Y151T77-F79 HydrophobicContact CG2-CE1 4.25Å; F79-K81 PolarHBondContact O-N 3.15Å; F79-T113 PolarHBondContact N-O 2.8Å; F79-T115 HydrophobicContact CE2-CG2 4.14Å; F79-T115 HydrophobicContact CZ-CG2 3.84Å; F79-I148 HydrophobicContact CD2-CD1 3.77Å; F79-I148 HydrophobicContact CE2-CD1 3.67Å; F79-Y151 AromaticContact CE2-CD1 3.83Å; F79-Y151 HydrophobicContact CE2-CD1 3.83Å; F79-Y151 AromaticContact CE2-CD2 3.93Å; F79-Y151 HydrophobicContact CE2-CD2 3.93Å; F79-Y151 HydrophobicContact CE2-CE1 4.18Å; F79-Y151 HydrophobicContact CE2-CE2 4.24Å; F79-Y151 AromaticContact CE2-CG 3.72Å; F79-Y151 HydrophobicContact CE2-CG 3.72Å; F79-Y151 HydrophobicContact CZ-CD1 4.21Å; F79-Y151 HydrophobicContact CZ-CD2 4.18Å; F79-Y151 HydrophobicContact CZ-CE1 4.08Å; F79-Y151 HydrophobicContact CZ-CE2 4.02Å; F79-Y151 HydrophobicContact CZ-CG 4.28Å; F79-Y151 AromaticContact CZ-CZ 3.97Å
80D98.4Very high97.6Very high47 Ų4762.3 Ų62.325%0.25137%0.368SS..SBendtrans5033171.6-57.1-67.3000114G82 M83 K144 R147D80-G82 PolarHBondContact O-N 2.85Å; D80-M83 HydrophobicContact CB-CB 4.29Å; D80-M83 HydrophobicContact CB-CE 4.02Å; D80-M83 WeakPolarHBondContact O-CB 3.43Å; D80-M83 PolarHBondContact O-N 3.4Å; D80-K144 HydrophobicContact CB-CD 4.3Å; D80-K144 HydrophobicContact CB-CG 4.08Å; D80-R147 IonicContact OD1-CZ 3.25Å; D80-R147 IonicContact OD1-NH1 2.89Å; D80-R147 PolarHBondContact OD1-NH1 3.38Å; D80-R147 VanDerWaalsContact OD2-CD 3.23Å; D80-R147 WeakPolarHBondContact OD2-CD 3.24Å
81K97.6Very high97.6Very high121 Ų12165.3 Ų65.353%0.52638%0.381SS..THydrogen-bonded Turntrans-54.7-38.1-175.3-178.4176.3-161.1130.90113.1Y64 E78 F79 M83 K108Y64-K81 PolarHBondContact OH-NZ 2.82Å; E78-K81 HydrophobicContact CG-CB 4.19Å; E78-K81 WeakPolarHBondContact OE1-CG 3.33Å; E78-K81 VanDerWaalsContact OE2-CD 3.23Å; E78-K81 WeakPolarHBondContact OE2-CD 3.49Å; E78-K81 VanDerWaalsContact OE2-CE 3.29Å; E78-K81 WeakPolarHBondContact OE2-CE 3.49Å; E78-K81 IonicContact OE2-NZ 3.75Å; E78-K81 PolarHBondContact OE2-NZ 3.18Å; F79-K81 PolarHBondContact O-N 3.15Å; K81-M83 VanDerWaalsContact C-N 3.32Å; K81-K108 WeakPolarHBondContact O-CB 3.33Å; K81-K108 WeakPolarHBondContact O-CG 3.23Å
82G96.8Very high97.5Very high61 Ų6169.3 Ų69.363%0.62941%0.407SS*.THydrogen-bonded Turntrans-79.4-8.1-177.800000114.9D80 T84D80-G82 PolarHBondContact O-N 2.85Å; G82-T84 PolarHBondContact O-N 3.06Å
83M98.3Very high97.4Very high42 Ų4270.5 Ų70.521%0.20742%0.418CS..  trans-70.5128.9-175.4-165.4-177.8-71.400110.9D80 K81 K108 V140 E143 K144D80-M83 HydrophobicContact CB-CB 4.29Å; D80-M83 HydrophobicContact CB-CE 4.02Å; D80-M83 WeakPolarHBondContact O-CB 3.43Å; D80-M83 PolarHBondContact O-N 3.4Å; K81-M83 VanDerWaalsContact C-N 3.32Å; M83-K108 WeakPolarHBondContact O-CB 3.34Å; M83-V140 HydrophobicContact CB-CG1 4.25Å; M83-V140 HydrophobicContact CG-CG1 3.73Å; M83-V140 HydrophobicContact CG-CG2 4.24Å; M83-V140 HydrophobicContact SD-CG1 3.8Å; M83-V140 HydrophobicContact SD-CG2 4.48Å; M83-E143 HydrophobicContact CE-CG 3.94Å; M83-E143 HydrophobicContact SD-CB 4.26Å; M83-E143 HydrophobicContact SD-CG 3.86Å; M83-K144 HydrophobicContact SD-CG 3.88Å
84T97.3Very high97.4Very high65 Ų6560.8 Ų60.840%0.39937%0.373SS..  trans-132.1152.3-176.3-178.30000110.8G82 Q102 V140G82-T84 PolarHBondContact O-N 3.06Å; T84-Q102 PolarHBondContact OG1-NE2 2.82Å; T84-V140 WeakPolarHBondContact O-CG2 3.38Å
85S96Very high97.4Very high6 Ų661.3 Ų61.34%0.04236%0.356CS..  trans-63.7136.4179.8-650000111.9E109S85-E109 PolarHBondContact OG-OE2 3.44Å
86A95.4Very high97.3Very high61 Ų6165.5 Ų65.550%0.50437%0.373SS..  trans-93.3178.3168.900000110.7P88 Y94A86-P88 VanDerWaalsContact O-CD 3.29Å; A86-P88 WeakPolarHBondContact O-CD 3.43Å; A86-Y94 WeakPolarHBondContact O-CE1 3.5Å
87N97.2Very high97.3Very high38 Ų3867.1 Ų67.120%0.20338%0.38CS..  trans-118.269.2175.7-168.316.4000112.1L89 D90 F91 Y94 L95N87-L89 PolarHBondContact O-N 3.39Å; N87-D90 PolarHBondContact O-N 2.91Å; N87-F91 PolarHBondContact ND2-N 2.95Å; N87-F91 PolarHBondContact ND2-O 3.46Å; N87-F91 VanDerWaalsContact ND2-O 3.11Å; N87-F91 PolarHBondContact OD1-N 3.1Å; N87-Y94 HydrophobicContact CB-CD1 4.23Å; N87-L95 HydrophobicContact CB-CD1 4.27Å; N87-L95 HydrophobicContact CB-CD2 3.91Å; N87-L95 HydrophobicContact CB-CG 3.94Å
88P94.9Very high97.2Very high68 Ų6863.4 Ų63.444%0.44236%0.357SS..THydrogen-bonded Turntrans-69.6-14.2-172.829.1-37.3000114.8A86 I175A86-P88 VanDerWaalsContact O-CD 3.29Å; A86-P88 WeakPolarHBondContact O-CD 3.43Å; P88-I175 HydrophobicContact CB-CD1 3.67Å; P88-I175 HydrophobicContact CG-CD1 3.37Å
89L96.7Very high97.2Very high83 Ų8366.5 Ų66.544%0.43537%0.371SS..THydrogen-bonded Turntrans-109.912.3-179.5-58.9-174.4000112.7N87 F91 E172 I175N87-L89 PolarHBondContact O-N 3.39Å; L89-F91 PolarHBondContact O-N 2.91Å; L89-E172 WeakPolarHBondContact CD1-O 3.43Å; L89-I175 HydrophobicContact CD2-CD1 4.15Å; L89-I175 HydrophobicContact CG-CD1 4.31Å
90D97Very high97.1Very high141 Ų14170.9 Ų70.975%0.75439%0.391SS*.  trans48.936.6-175.6-62.5-45.4000113.1N87N87-D90 PolarHBondContact O-N 2.91Å
91F97.5Very high97.1Very high63 Ų6369.7 Ų69.728%0.27638%0.384SS..  trans-66.4127.6-174.9-165.8-76.8000110.2N87 L89 S93 Y94 M170 Q171N87-F91 PolarHBondContact ND2-N 2.95Å; N87-F91 PolarHBondContact ND2-O 3.46Å; N87-F91 VanDerWaalsContact ND2-O 3.11Å; N87-F91 PolarHBondContact OD1-N 3.1Å; L89-F91 PolarHBondContact O-N 2.91Å; F91-S93 PolarHBondContact O-N 3.45Å; F91-Y94 WeakPolarHBondContact O-CB 3.34Å; F91-Y94 PolarHBondContact O-N 3.05Å; F91-M170 HydrophobicContact CZ-CE 4.31Å; F91-Q171 HydrophobicContact CB-CB 4.42Å; F91-Q171 HydrophobicContact CD1-CB 4.24Å; F91-Q171 HydrophobicContact CD1-CG 3.77Å; F91-Q171 HydrophobicContact CD2-CB 4.39Å; F91-Q171 HydrophobicContact CE1-CG 3.9Å; F91-Q171 HydrophobicContact CG-CB 4.08Å; F91-Q171 HydrophobicContact CG-CG 4.11Å; F91-Q171 HydrophobicContact CZ-CG 4.33Å
92P97.7Very high97.1Very high96 Ų9665.6 Ų65.662%0.62337%0.367SS*.THydrogen-bonded Turntrans-58.5133.1-174.7-27.234.8000113.8Y94P92-Y94 PolarHBondContact O-N 3.32Å
93S96.2Very high97.2Very high61 Ų6169.4 Ų69.443%0.42737%0.368SS..THydrogen-bonded Turntrans53.722.8-179.3-58.20000114.5F91 E96 K97F91-S93 PolarHBondContact O-N 3.45Å; S93-E96 VanDerWaalsContact CB-OE2 3.31Å; S93-E96 WeakPolarHBondContact CB-OE2 3.38Å; S93-E96 PolarHBondContact OG-OE2 3.25Å; S93-K97 VanDerWaalsContact O-CG 3.31Å; S93-K97 WeakPolarHBondContact O-CG 3.45Å; S93-K97 PolarHBondContact O-N 2.87Å
94Y97.3Very high97.1Very high1 Ų174.6 Ų74.60%0.00439%0.39CS..Hα-helixtrans-68.3-48.8-179.1-178.5-148.2000111.7A86 N87 F91 P92 E96 K97 I98 R169 Q171 E172A86-Y94 WeakPolarHBondContact O-CE1 3.5Å; N87-Y94 HydrophobicContact CB-CD1 4.23Å; F91-Y94 WeakPolarHBondContact O-CB 3.34Å; F91-Y94 PolarHBondContact O-N 3.05Å; P92-Y94 PolarHBondContact O-N 3.32Å; Y94-E96 VanDerWaalsContact C-N 3.31Å; Y94-E96 PolarHBondContact O-N 2.87Å; Y94-K97 WeakPolarHBondContact O-CB 3.46Å; Y94-K97 PolarHBondContact O-N 3.08Å; Y94-K97 VanDerWaalsContact O-N 3.08Å; Y94-I98 HydrophobicContact CD2-CD1 4.38Å; Y94-I98 HydrophobicContact CD2-CG1 3.85Å; Y94-I98 HydrophobicContact CE2-CD1 3.57Å; Y94-I98 HydrophobicContact CE2-CG1 3.5Å; Y94-I98 WeakPolarHBondContact O-CG1 3.33Å; Y94-I98 PolarHBondContact O-N 3.21Å; Y94-R169 WeakPolarHBondContact OH-CD 3.47Å; Y94-R169 WeakPolarHBondContact OH-CG 3.13Å; Y94-R169 PolarHBondContact OH-NE 3.34Å; Y94-Q171 HydrophobicContact CD1-CB 3.9Å; Y94-Q171 HydrophobicContact CD2-CB 3.55Å; Y94-Q171 HydrophobicContact CD2-CG 3.53Å; Y94-Q171 HydrophobicContact CE1-CB 3.94Å; Y94-Q171 HydrophobicContact CE2-CB 3.58Å; Y94-Q171 HydrophobicContact CE2-CG 3.83Å; Y94-Q171 HydrophobicContact CG-CB 3.72Å; Y94-Q171 HydrophobicContact CG-CG 3.99Å; Y94-E172 HydrophobicContact CE1-CG 3.83Å; Y94-E172 PolarHBondContact OH-OE1 3.14Å
95L97.3Very high97Very high93 Ų9372.2 Ų72.249%0.48738%0.375SS..Hα-helixtrans-61.8-38.5179.9-63.1-179.6000112.2N87 K97 I98 E99N87-L95 HydrophobicContact CB-CD1 4.27Å; N87-L95 HydrophobicContact CB-CD2 3.91Å; N87-L95 HydrophobicContact CB-CG 3.94Å; L95-K97 VanDerWaalsContact C-N 3.33Å; L95-K97 PolarHBondContact O-N 3.28Å; L95-I98 WeakPolarHBondContact O-CB 3.48Å; L95-I98 PolarHBondContact O-N 3.48Å; L95-E99 PolarHBondContact O-N 3.2Å
96E97.6Very high97.1Very high107 Ų10775.1 Ų75.150%0.541%0.406SS..Hα-helixtrans-61.9-39.3174.2-63.6171-176.900112.4S93 Y94 E99 K100S93-E96 VanDerWaalsContact CB-OE2 3.31Å; S93-E96 WeakPolarHBondContact CB-OE2 3.38Å; S93-E96 PolarHBondContact OG-OE2 3.25Å; Y94-E96 VanDerWaalsContact C-N 3.31Å; Y94-E96 PolarHBondContact O-N 2.87Å; E96-E99 PolarHBondContact O-N 3.47Å; E96-K100 WeakPolarHBondContact O-CG 3.28Å; E96-K100 PolarHBondContact O-N 3Å
97K97.2Very high97.2Very high87 Ų8772.5 Ų72.538%0.37838%0.384SS..Hα-helixtrans-68.1-39175.9-72.9168.6-176.6165.50111.3S93 Y94 L95 K100 D101S93-K97 VanDerWaalsContact O-CG 3.31Å; S93-K97 WeakPolarHBondContact O-CG 3.45Å; S93-K97 PolarHBondContact O-N 2.87Å; Y94-K97 WeakPolarHBondContact O-CB 3.46Å; Y94-K97 PolarHBondContact O-N 3.08Å; Y94-K97 VanDerWaalsContact O-N 3.08Å; L95-K97 VanDerWaalsContact C-N 3.33Å; L95-K97 PolarHBondContact O-N 3.28Å; K97-K100 PolarHBondContact O-N 3.38Å; K97-D101 PolarHBondContact O-N 2.89Å; K97-D101 VanDerWaalsContact O-N 3.11Å
98I97.8Very high97.2Very high5 Ų575.5 Ų75.53%0.02640%0.395CS..Hα-helixtrans-61.6-49174.4-69.7-67.7000109.8Y94 L95 K100 D101 Q102 F132 R133Y94-I98 HydrophobicContact CD2-CD1 4.38Å; Y94-I98 HydrophobicContact CD2-CG1 3.85Å; Y94-I98 HydrophobicContact CE2-CD1 3.57Å; Y94-I98 HydrophobicContact CE2-CG1 3.5Å; Y94-I98 WeakPolarHBondContact O-CG1 3.33Å; Y94-I98 PolarHBondContact O-N 3.21Å; L95-I98 WeakPolarHBondContact O-CB 3.48Å; L95-I98 PolarHBondContact O-N 3.48Å; I98-K100 PolarHBondContact O-N 3.08Å; I98-D101 PolarHBondContact O-N 2.91Å; I98-D101 VanDerWaalsContact O-N 3.14Å; I98-Q102 HydrophobicContact CG2-CG 4.36Å; I98-Q102 VanDerWaalsContact O-CG 3.3Å; I98-Q102 WeakPolarHBondContact O-CG 3.35Å; I98-Q102 PolarHBondContact O-N 2.88Å; I98-F132 HydrophobicContact CD1-CE1 3.66Å; I98-F132 HydrophobicContact CD1-CZ 3.89Å; I98-F132 HydrophobicContact CG2-CZ 4.19Å; I98-R133 HydrophobicContact CD1-CG 4.11Å
99E97.8Very high97.3Very high107 Ų10772.4 Ų72.450%0.538%0.375SS..Hα-helixtrans-58.5-44.2178.1-170.1-177.1-179.300112.4L95 E96 D101 Q102 Q103L95-E99 PolarHBondContact O-N 3.2Å; E96-E99 PolarHBondContact O-N 3.47Å; E99-D101 VanDerWaalsContact C-N 3.32Å; E99-D101 PolarHBondContact O-N 3.06Å; E99-Q102 WeakPolarHBondContact O-CB 3.37Å; E99-Q102 PolarHBondContact O-N 3.15Å; E99-Q103 WeakPolarHBondContact O-CG 3.24Å; E99-Q103 PolarHBondContact O-N 3.25Å; E99-Q103 PolarHBondContact OE1-NE2 2.87Å
100K98Very high97.4Very high136 Ų13668.5 Ų68.559%0.59135%0.354SS*.Hα-helixtrans-59.3-42175.8-75174.4-175.6176.90112.5E96 K97 I98 Q103 K104E96-K100 WeakPolarHBondContact O-CG 3.28Å; E96-K100 PolarHBondContact O-N 3Å; K97-K100 PolarHBondContact O-N 3.38Å; I98-K100 PolarHBondContact O-N 3.08Å; K100-Q103 PolarHBondContact O-N 3.25Å; K100-K104 VanDerWaalsContact O-CB 3.29Å; K100-K104 WeakPolarHBondContact O-CB 3.42Å; K100-K104 PolarHBondContact O-N 3.31Å
101D97.9Very high97.5Very high22 Ų2261.8 Ų61.812%0.11832%0.318CS..Hα-helixtrans-70-35.8177-78.6-15.1000111.9K97 I98 E99 K104 T105 F132 R133K97-D101 PolarHBondContact O-N 2.89Å; K97-D101 VanDerWaalsContact O-N 3.11Å; I98-D101 PolarHBondContact O-N 2.91Å; I98-D101 VanDerWaalsContact O-N 3.14Å; E99-D101 VanDerWaalsContact C-N 3.32Å; E99-D101 PolarHBondContact O-N 3.06Å; D101-K104 PolarHBondContact O-N 2.76Å; D101-T105 WeakPolarHBondContact O-CB 3.37Å; D101-T105 WeakPolarHBondContact O-CG2 3.5Å; D101-T105 PolarHBondContact O-N 3.37Å; D101-T105 PolarHBondContact O-OG1 2.87Å; D101-F132 HydrophobicContact CB-CD1 4.23Å; D101-F132 HydrophobicContact CB-CD2 3.78Å; D101-F132 HydrophobicContact CB-CE1 4.3Å; D101-F132 HydrophobicContact CB-CE2 3.89Å; D101-F132 HydrophobicContact CB-CG 3.96Å; D101-F132 HydrophobicContact CB-CZ 4.15Å; D101-R133 WeakPolarHBondContact OD2-CA 3.36Å; D101-R133 WeakPolarHBondContact OD2-CD 3.32Å; D101-R133 WeakPolarHBondContact OD2-CG 3.19Å; D101-R133 PolarHBondContact OD2-N 3.36Å
102Q98.2Very high97.5Very high34 Ų3458.9 Ų58.916%0.15931%0.306CS..Hα-helixtrans-61.3-47.7172.9-67.7-177.1-900111.4T84 I98 E99 K104 T105 G106 L107 K108 F132T84-Q102 PolarHBondContact OG1-NE2 2.82Å; I98-Q102 HydrophobicContact CG2-CG 4.36Å; I98-Q102 VanDerWaalsContact O-CG 3.3Å; I98-Q102 WeakPolarHBondContact O-CG 3.35Å; I98-Q102 PolarHBondContact O-N 2.88Å; E99-Q102 WeakPolarHBondContact O-CB 3.37Å; E99-Q102 PolarHBondContact O-N 3.15Å; Q102-K104 PolarHBondContact O-N 2.78Å; Q102-T105 PolarHBondContact O-N 2.96Å; Q102-G106 WeakPolarHBondContact O-CA 3.35Å; Q102-G106 PolarHBondContact O-N 2.88Å; Q102-L107 WeakPolarHBondContact CA-O 3.47Å; Q102-L107 WeakPolarHBondContact CB-O 3.48Å; Q102-L107 VanDerWaalsContact CG-O 3.26Å; Q102-L107 WeakPolarHBondContact CG-O 3.39Å; Q102-K108 PolarHBondContact NE2-O 2.94Å; Q102-F132 HydrophobicContact CG-CE2 3.68Å; Q102-F132 HydrophobicContact CG-CZ 4.18Å
103Q97.8Very high97.6Very high142 Ų14254.3 Ų54.366%0.66428%0.276SS*.Hα-helixtrans-61.6-42.8176.9-69.9173.84.500111.9E99 K100E99-Q103 WeakPolarHBondContact O-CG 3.24Å; E99-Q103 PolarHBondContact O-N 3.25Å; E99-Q103 PolarHBondContact OE1-NE2 2.87Å; K100-Q103 PolarHBondContact O-N 3.25Å
104K96Very high97.7Very high150 Ų15051.4 Ų51.465%0.65226%0.256SS*.Hα-helixtrans-68.1-37.7-179.4178.3-173.8172.3-164.40113.2K100 D101 Q102K100-K104 VanDerWaalsContact O-CB 3.29Å; K100-K104 WeakPolarHBondContact O-CB 3.42Å; K100-K104 PolarHBondContact O-N 3.31Å; D101-K104 PolarHBondContact O-N 2.76Å; Q102-K104 PolarHBondContact O-N 2.78Å
105T96.7Very high97.8Very high16 Ų1651.7 Ų51.710%0.09826%0.258CS..Hα-helixtrans-105.8-21.2-167.763.20000114.2D101 Q102 L107 R131 F132D101-T105 WeakPolarHBondContact O-CB 3.37Å; D101-T105 WeakPolarHBondContact O-CG2 3.5Å; D101-T105 PolarHBondContact O-N 3.37Å; D101-T105 PolarHBondContact O-OG1 2.87Å; Q102-T105 PolarHBondContact O-N 2.96Å; T105-L107 PolarHBondContact O-N 2.89Å; T105-L107 WeakPolarHBondContact OG1-CB 3.41Å; T105-L107 PolarHBondContact OG1-N 2.98Å; T105-R131 HydrophobicContact CG2-CB 3.67Å; T105-F132 HydrophobicContact CG2-CB 4.3Å
106G96.2Very high97.9Very high67 Ų6747.4 Ų47.469%0.69124%0.235SC*.SBendtrans72.46.9-168.900000113.8Q102Q102-G106 WeakPolarHBondContact O-CA 3.35Å; Q102-G106 PolarHBondContact O-N 2.88Å
107L97.7Very high97.9Very high6 Ų646.2 Ų46.23%0.03123%0.23CC..  trans-98.3150.3179.9-59.3174.1000110.7Y64 Q102 T105 E109 V112 D129 F132Y64-L107 HydrophobicContact CD2-CD2 4.11Å; Y64-L107 HydrophobicContact CE2-CD2 3.55Å; Q102-L107 WeakPolarHBondContact CA-O 3.47Å; Q102-L107 WeakPolarHBondContact CB-O 3.48Å; Q102-L107 VanDerWaalsContact CG-O 3.26Å; Q102-L107 WeakPolarHBondContact CG-O 3.39Å; T105-L107 PolarHBondContact O-N 2.89Å; T105-L107 WeakPolarHBondContact OG1-CB 3.41Å; T105-L107 PolarHBondContact OG1-N 2.98Å; L107-E109 WeakPolarHBondContact CB-O 3.46Å; L107-V112 HydrophobicContact CD2-CG2 3.82Å; L107-D129 HydrophobicContact CD1-CB 3.59Å; L107-F132 HydrophobicContact CB-CD2 4.21Å
108K97.5Very high98Very high101 Ų10142 Ų4244%0.43921%0.212SC..SBendtrans-83.8-28.2169.8-69.4-63.2-175.1-179.50113.3K81 M83 Q102K81-K108 WeakPolarHBondContact O-CB 3.33Å; K81-K108 WeakPolarHBondContact O-CG 3.23Å; M83-K108 WeakPolarHBondContact O-CB 3.34Å; Q102-K108 PolarHBondContact NE2-O 2.94Å
109E98Very high97.9Very high3 Ų345.1 Ų45.11%0.01423%0.228CC..SBendtrans-150170.5172-130.4-34.3-71.200110S85 L107 V111 F132 V140 I141 R169S85-E109 PolarHBondContact OG-OE2 3.44Å; L107-E109 WeakPolarHBondContact CB-O 3.46Å; E109-V111 PolarHBondContact O-N 2.95Å; E109-V111 VanDerWaalsContact O-N 3.08Å; E109-F132 WeakPolarHBondContact OE2-CE1 3.26Å; E109-F132 WeakPolarHBondContact OE2-CZ 3.29Å; E109-V140 HydrophobicContact CB-CG1 3.84Å; E109-V140 HydrophobicContact CG-CB 3.65Å; E109-V140 HydrophobicContact CG-CG1 3.34Å; E109-I141 HydrophobicContact CG-CG1 4.4Å; E109-I141 WeakPolarHBondContact OE1-CD1 3.49Å; E109-I141 WeakPolarHBondContact OE1-CG1 3.38Å; E109-R169 IonicContact OE1-NH2 3.4Å; E109-R169 PolarHBondContact OE1-NH2 2.94Å; E109-R169 IonicContact OE2-NH2 3.26Å; E109-R169 PolarHBondContact OE2-NH2 2.79Å
110A97.9Very high97.9Very high0 Ų042.3 Ų42.30%023%0.228CC..SBendtrans-77.916.5-176.300000114.8M128 D129 F132 I141A110-M128 CarbonylContact O-C 3.39Å; A110-M128 WeakPolarHBondContact O-CA 3.23Å; A110-D129 PolarHBondContact O-N 3.37Å; A110-F132 HydrophobicContact CB-CB 3.68Å; A110-F132 HydrophobicContact CB-CD1 3.82Å; A110-F132 HydrophobicContact CB-CG 3.98Å; A110-F132 WeakPolarHBondContact CB-O 3.39Å; A110-I141 HydrophobicContact CB-CD1 3.79Å
111V98.7Very high97.8Very high1 Ų136.7 Ų36.71%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-139.7133.1172.4720000111.2E109 T113 A126 V127 M128 I141 K144 I145E109-V111 PolarHBondContact O-N 2.95Å; E109-V111 VanDerWaalsContact O-N 3.08Å; V111-T113 HydrophobicContact CG1-CG2 4.48Å; V111-T113 HydrophobicContact CG2-CG2 3.98Å; V111-A126 HydrophobicContact CG2-CB 4.27Å; V111-V127 WeakPolarHBondContact CA-O 3.23Å; V111-M128 HydrophobicContact CB-CG 4.44Å; V111-M128 HydrophobicContact CG2-CG 4.09Å; V111-I141 HydrophobicContact CB-CG1 4.49Å; V111-I141 HydrophobicContact CB-CG2 4.33Å; V111-I141 HydrophobicContact CG1-CB 4.24Å; V111-I141 HydrophobicContact CG1-CG1 4.1Å; V111-I141 HydrophobicContact CG1-CG2 4.12Å; V111-K144 HydrophobicContact CG1-CB 3.93Å; V111-K144 HydrophobicContact CG1-CD 3.98Å; V111-K144 PolarHBondContact O-NZ 3.4Å; V111-I145 HydrophobicContact CG2-CG1 4.45Å
112V98.9Very high97.8Very high2 Ų240 Ų401%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-106.1127.2170.1179.90000107.6A63 Y64 I67 F76 E78 L107 A126 V127A63-V112 HydrophobicContact CB-CB 3.99Å; A63-V112 HydrophobicContact CB-CG2 3.63Å; Y64-V112 HydrophobicContact CD1-CG1 4.49Å; Y64-V112 HydrophobicContact CE1-CG1 4.06Å; Y64-V112 HydrophobicContact CE2-CG2 4.11Å; I67-V112 HydrophobicContact CD1-CB 4.04Å; I67-V112 HydrophobicContact CD1-CG1 3.56Å; F76-V112 HydrophobicContact CE1-CG1 4.1Å; F76-V112 HydrophobicContact CZ-CG1 3.76Å; E78-V112 HydrophobicContact CG-CG1 4.1Å; L107-V112 HydrophobicContact CD2-CG2 3.82Å; V112-A126 CarbonylContact O-C 3.33Å; V112-A126 WeakPolarHBondContact O-CA 3.35Å; V112-V127 PolarHBondContact N-O 2.66Å; V112-V127 PolarHBondContact O-N 3.36Å
113T98.9Very high97.8Very high0 Ų038.4 Ų38.40%021%0.21CC..EExtended strand (participates in β ladder)trans-126.5153.4-177.452.90000109.9F79 V111 V125 A126 K144 I148F79-T113 PolarHBondContact N-O 2.8Å; V111-T113 HydrophobicContact CG1-CG2 4.48Å; V111-T113 HydrophobicContact CG2-CG2 3.98Å; T113-V125 VanDerWaalsContact CA-O 3.28Å; T113-V125 WeakPolarHBondContact CA-O 3.47Å; T113-A126 HydrophobicContact CG2-CB 3.82Å; T113-K144 HydrophobicContact CG2-CB 4.02Å; T113-K144 WeakPolarHBondContact OG1-CE 3.49Å; T113-I148 HydrophobicContact CG2-CG2 3.95Å
114G98.9Very high97.9Very high0 Ų031.6 Ų31.60%018%0.178CC..EExtended strand (participates in β ladder)trans166.1-166.7177.800000112T77 V125 I148T77-G114 CarbonylContact O-C 3.45Å; T77-G114 WeakPolarHBondContact O-CA 3.43Å; G114-V125 PolarHBondContact N-O 2.68Å; G114-V125 PolarHBondContact O-N 3.5Å; G114-I148 VanDerWaalsContact O-CD1 3.23Å; G114-I148 WeakPolarHBondContact O-CD1 3.33Å
115T98.9Very high98Very high7 Ų724.5 Ų24.54%0.04315%0.147CC..EExtended strand (participates in β ladder)trans-115.6149.7173.756.90000110.6F76 T77 F79 F123 I148 Y151 L157F76-T115 CarbonylContact C-O 3.48Å; F76-T115 WeakPolarHBondContact CA-O 3.44Å; F76-T115 WeakPolarHBondContact CD2-O 3.34Å; T77-T115 PolarHBondContact N-O 3.03Å; T77-T115 PolarHBondContact O-N 2.74Å; F79-T115 HydrophobicContact CE2-CG2 4.14Å; F79-T115 HydrophobicContact CZ-CG2 3.84Å; T115-F123 WeakPolarHBondContact CA-O 3.3Å; T115-I148 HydrophobicContact CG2-CD1 4.18Å; T115-Y151 HydrophobicContact CG2-CD1 3.96Å; T115-Y151 HydrophobicContact CG2-CE1 3.49Å; T115-Y151 VanDerWaalsContact CG2-CE1 3.49Å; T115-L157 HydrophobicContact CG2-CD1 4.29Å
116A98.8Very high98.1Very high2 Ų223.7 Ų23.72%0.01714%0.142CC..EExtended strand (participates in β ladder)trans-145.1178.9176.800000110.1S71 F76 K122 F123S71-A116 WeakPolarHBondContact OG-CB 3.25Å; F76-A116 HydrophobicContact CB-CB 4.43Å; F76-A116 HydrophobicContact CD2-CB 4.19Å; A116-K122 WeakPolarHBondContact O-CA 3.33Å; A116-F123 HydrophobicContact CB-CD1 4.42Å; A116-F123 HydrophobicContact CB-CE1 3.72Å; A116-F123 HydrophobicContact CB-CZ 3.82Å; A116-F123 PolarHBondContact N-O 3.34Å; A116-F123 WeakPolarHBondContact O-CD1 3.38Å; A116-F123 PolarHBondContact O-N 3.09Å
117Q98.7Very high98.2Very high82 Ų8220.7 Ų20.738%0.38311%0.11SC..EExtended strand (participates in β ladder)trans-118.8148.4168.7-64.717850.900110.4S71 D72 S75 G120 M121 K122S71-Q117 CarbonylContact C-O 3.57Å; S71-Q117 VanDerWaalsContact CA-O 3.28Å; S71-Q117 WeakPolarHBondContact CA-O 3.35Å; D72-Q117 HydrophobicContact CB-CB 4.34Å; D72-Q117 PolarHBondContact N-O 3.35Å; S75-Q117 PolarHBondContact OG-N 3.46Å; S75-Q117 PolarHBondContact OG-O 2.79Å; Q117-G120 PolarHBondContact OE1-O 3.2Å; Q117-M121 CarbonylContact C-O 3.52Å; Q117-M121 VanDerWaalsContact CA-O 3.22Å; Q117-M121 WeakPolarHBondContact CA-O 3.25Å; Q117-K122 HydrophobicContact CG-CB 4.39Å
118L98.4Very high98.3Very high0 Ų020.7 Ų20.70%011%0.11CC..EExtended strand (participates in β ladder)trans-132.5114.6170.6166.650.8000108I70 G120 M121 F123 R270 L273 L277I70-L118 WeakPolarHBondContact O-CD1 3.44Å; L118-G120 PolarHBondContact O-N 2.95Å; L118-M121 HydrophobicContact CG-CE 4.49Å; L118-M121 PolarHBondContact N-O 3.08Å; L118-M121 WeakPolarHBondContact O-CB 3.14Å; L118-M121 WeakPolarHBondContact O-CE 3.4Å; L118-M121 PolarHBondContact O-N 3.38Å; L118-F123 HydrophobicContact CB-CD1 4.16Å; L118-F123 HydrophobicContact CB-CE1 3.73Å; L118-R270 HydrophobicContact CD1-CG 3.6Å; L118-R270 VanDerWaalsContact CD1-CZ 3.4Å; L118-L273 HydrophobicContact CD2-CB 3.76Å; L118-L277 HydrophobicContact CB-CD1 4.31Å; L118-L277 HydrophobicContact CD2-CD1 4.1Å; L118-L277 HydrophobicContact CG-CD1 4.48Å
119D96.9Very high98.3Very high69 Ų6915.9 Ų15.937%0.3699%0.09SC..THydrogen-bonded Turntrans50.442.4-170.6-62-17000111.9D72 M121 R270 S274 K278D72-D119 VanDerWaalsContact CG-N 3.34Å; D72-D119 PolarHBondContact OD1-N 3.33Å; D72-D119 PolarHBondContact OD2-N 3.19Å; D119-M121 HydrophobicContact CB-CE 4.29Å; D119-M121 PolarHBondContact O-N 2.9Å; D119-R270 IonicContact OD1-CZ 3.23Å; D119-R270 VanDerWaalsContact OD1-CZ 3.23Å; D119-R270 IonicContact OD1-NH1 2.8Å; D119-R270 PolarHBondContact OD1-NH1 3.39Å; D119-R270 IonicContact OD1-NH2 2.74Å; D119-R270 PolarHBondContact OD1-NH2 3.49Å; D119-S274 WeakPolarHBondContact OD2-CB 3.27Å; D119-S274 PolarHBondContact OD2-OG 3.14Å; D119-K278 IonicContact OD2-NZ 2.93Å; D119-K278 PolarHBondContact OD2-NZ 3.38Å
120G96.2Very high98.3Very high48 Ų4816.7 Ų16.750%0.49510%0.096SC..THydrogen-bonded Turntrans78.7-5.8-178.300000115.4D72 Q117 L118D72-G120 PolarHBondContact OD2-N 2.64Å; Q117-G120 PolarHBondContact OE1-O 3.2Å; L118-G120 PolarHBondContact O-N 2.95Å
121M96.8Very high98.2Very high19 Ų1920.7 Ų20.79%0.09411%0.111CC..EExtended strand (participates in β ladder)trans-85.3118179.2-57177.2-77.700110.4Q117 L118 D119 L277 K278 Q281Q117-M121 CarbonylContact C-O 3.52Å; Q117-M121 VanDerWaalsContact CA-O 3.22Å; Q117-M121 WeakPolarHBondContact CA-O 3.25Å; L118-M121 HydrophobicContact CG-CE 4.49Å; L118-M121 PolarHBondContact N-O 3.08Å; L118-M121 WeakPolarHBondContact O-CB 3.14Å; L118-M121 WeakPolarHBondContact O-CE 3.4Å; L118-M121 PolarHBondContact O-N 3.38Å; D119-M121 HydrophobicContact CB-CE 4.29Å; D119-M121 PolarHBondContact O-N 2.9Å; M121-L277 HydrophobicContact CE-CB 3.66Å; M121-L277 HydrophobicContact CE-CD1 4.24Å; M121-L277 HydrophobicContact SD-CB 3.67Å; M121-K278 HydrophobicContact CE-CD 4.44Å; M121-K278 HydrophobicContact CE-CG 3.78Å; M121-K278 HydrophobicContact SD-CB 4.46Å; M121-K278 HydrophobicContact SD-CG 3.65Å; M121-Q281 HydrophobicContact SD-CG 4.23Å; M121-Q281 PolarHBondContact SD-NE2 3.31Å
122K97.9Very high98.2Very high91 Ų9120.7 Ų20.740%0.39611%0.11SC..EExtended strand (participates in β ladder)trans-72.7133.8177.6-166.8177.8-179.4-174.70110.9A116 Q117 Y151 L157A116-K122 WeakPolarHBondContact O-CA 3.33Å; Q117-K122 HydrophobicContact CG-CB 4.39Å; K122-Y151 PolarHBondContact NZ-OH 3.48Å; K122-L157 HydrophobicContact CB-CD2 4.14Å; K122-L157 HydrophobicContact CD-CD1 4.06Å; K122-L157 HydrophobicContact CD-CD2 4.15Å; K122-L157 HydrophobicContact CG-CD1 4.12Å; K122-L157 HydrophobicContact CG-CD2 4.13Å
123F98.6Very high98Very high0 Ų023.9 Ų23.90%012%0.122CC..EExtended strand (participates in β ladder)trans-143.8158.5176.671.4-77.8000110.8I70 T115 A116 L118 V125 P158 I160 L277I70-F123 HydrophobicContact CD1-CE2 4.06Å; I70-F123 HydrophobicContact CD1-CZ 3.96Å; I70-F123 HydrophobicContact CG1-CZ 4.25Å; T115-F123 WeakPolarHBondContact CA-O 3.3Å; A116-F123 HydrophobicContact CB-CD1 4.42Å; A116-F123 HydrophobicContact CB-CE1 3.72Å; A116-F123 HydrophobicContact CB-CZ 3.82Å; A116-F123 PolarHBondContact N-O 3.34Å; A116-F123 WeakPolarHBondContact O-CD1 3.38Å; A116-F123 PolarHBondContact O-N 3.09Å; L118-F123 HydrophobicContact CB-CD1 4.16Å; L118-F123 HydrophobicContact CB-CE1 3.73Å; F123-V125 HydrophobicContact CD2-CB 4.18Å; F123-V125 HydrophobicContact CE2-CB 3.69Å; F123-V125 HydrophobicContact CE2-CG1 4.5Å; F123-V125 HydrophobicContact CE2-CG2 4.05Å; F123-P158 WeakPolarHBondContact CA-O 3.26Å; F123-P158 HydrophobicContact CB-CG 3.91Å; F123-P158 WeakPolarHBondContact CB-O 3.24Å; F123-I160 HydrophobicContact CD2-CB 4.26Å; F123-I160 HydrophobicContact CD2-CD1 3.6Å; F123-I160 HydrophobicContact CD2-CG1 3.85Å; F123-I160 HydrophobicContact CE2-CB 4.4Å; F123-I160 HydrophobicContact CE2-CD1 3.79Å; F123-I160 HydrophobicContact CE2-CG1 4.29Å; F123-I160 HydrophobicContact CG-CD1 4.3Å; F123-L277 HydrophobicContact CB-CD1 4.39Å; F123-L277 HydrophobicContact CD1-CD1 4.4Å; F123-L277 HydrophobicContact CG-CD1 4.43Å
124G98.9Very high97.9Very high0 Ų028.7 Ų28.70%015%0.146CC..EExtended strand (participates in β ladder)trans-91.7146167.100000111.6C152 P158 F159 I160G124-C152 WeakPolarHBondContact CA-SG 3.43Å; G124-P158 PolarHBondContact N-O 3.44Å; G124-F159 WeakPolarHBondContact O-CA 3.31Å; G124-F159 WeakPolarHBondContact O-CD2 3.47Å; G124-I160 PolarHBondContact O-N 2.97Å
125V98.9Very high97.8Very high0 Ų028.7 Ų28.70%015%0.146CC..EExtended strand (participates in β ladder)trans-134.9140.6-178.269.40000111.7I67 I70 F76 T113 G114 F123 V127 I160 F162I67-V125 HydrophobicContact CG1-CG1 4.43Å; I70-V125 HydrophobicContact CD1-CG2 4.22Å; F76-V125 HydrophobicContact CD2-CG1 4.24Å; F76-V125 HydrophobicContact CE2-CG1 3.81Å; T113-V125 VanDerWaalsContact CA-O 3.28Å; T113-V125 WeakPolarHBondContact CA-O 3.47Å; G114-V125 PolarHBondContact N-O 2.68Å; G114-V125 PolarHBondContact O-N 3.5Å; F123-V125 HydrophobicContact CD2-CB 4.18Å; F123-V125 HydrophobicContact CE2-CB 3.69Å; F123-V125 HydrophobicContact CE2-CG1 4.5Å; F123-V125 HydrophobicContact CE2-CG2 4.05Å; V125-V127 HydrophobicContact CG2-CG2 3.79Å; V125-I160 VanDerWaalsContact CA-O 3.29Å; V125-I160 WeakPolarHBondContact CA-O 3.42Å; V125-F162 HydrophobicContact CG2-CD2 4.42Å; V125-F162 HydrophobicContact CG2-CE2 4.5Å
126A98.9Very high97.8Very high0 Ų028.8 Ų28.80%015%0.147CC..EExtended strand (participates in β ladder)trans-126.3124.7164.700000109.2V111 V112 T113 I145 I148 F159 I160 L161 F162V111-A126 HydrophobicContact CG2-CB 4.27Å; V112-A126 CarbonylContact O-C 3.33Å; V112-A126 WeakPolarHBondContact O-CA 3.35Å; T113-A126 HydrophobicContact CG2-CB 3.82Å; A126-I145 HydrophobicContact CB-CG1 4.42Å; A126-I148 HydrophobicContact CB-CG2 4.36Å; A126-F159 HydrophobicContact CB-CE2 3.88Å; A126-F159 HydrophobicContact CB-CZ 3.67Å; A126-I160 PolarHBondContact N-O 3.45Å; A126-L161 HydrophobicContact CB-CD1 4.28Å; A126-L161 HydrophobicContact CB-CG 4.05Å; A126-L161 CarbonylContact O-C 3.02Å; A126-L161 WeakPolarHBondContact O-CA 3.23Å; A126-F162 PolarHBondContact O-N 3.46Å
127V98.9Very high97.7Very high3 Ų328.8 Ų28.82%0.01815%0.147CC..EExtended strand (participates in β ladder)trans-123116.6176.6-174.30000110.4A63 R66 I67 V111 V112 V125 F162A63-V127 HydrophobicContact CB-CB 4.04Å; A63-V127 HydrophobicContact CB-CG1 3.85Å; R66-V127 HydrophobicContact CB-CG1 3.81Å; R66-V127 HydrophobicContact CB-CG2 4.45Å; R66-V127 HydrophobicContact CG-CG1 3.81Å; R66-V127 HydrophobicContact CG-CG2 4.08Å; I67-V127 HydrophobicContact CD1-CB 4.43Å; I67-V127 HydrophobicContact CD1-CG2 4.11Å; I67-V127 HydrophobicContact CG1-CB 4.3Å; I67-V127 HydrophobicContact CG1-CG2 3.55Å; V111-V127 WeakPolarHBondContact CA-O 3.23Å; V112-V127 PolarHBondContact N-O 2.66Å; V112-V127 PolarHBondContact O-N 3.36Å; V125-V127 HydrophobicContact CG2-CG2 3.79Å; V127-F162 HydrophobicContact CB-CB 4.36Å; V127-F162 HydrophobicContact CG1-CB 3.96Å; V127-F162 HydrophobicContact CG2-CB 4.21Å; V127-F162 HydrophobicContact CG2-CD2 3.86Å; V127-F162 HydrophobicContact CG2-CG 4.33Å
128M98.8Very high97.7Very high6 Ų624.9 Ų24.93%0.0313%0.129CC..EExtended strand (participates in β ladder)trans-79.5147.5174.4-58.9-177.572.700111.5A110 V111 G135 I141 F162 A164 V209 F213A110-M128 CarbonylContact O-C 3.39Å; A110-M128 WeakPolarHBondContact O-CA 3.23Å; V111-M128 HydrophobicContact CB-CG 4.44Å; V111-M128 HydrophobicContact CG2-CG 4.09Å; M128-G135 WeakPolarHBondContact CE-O 3.23Å; M128-I141 HydrophobicContact CE-CD1 4.16Å; M128-I141 HydrophobicContact CE-CG2 4.19Å; M128-F162 WeakPolarHBondContact CB-O 3.41Å; M128-F162 PolarHBondContact N-O 2.56Å; M128-A164 HydrophobicContact CB-CB 4.14Å; M128-V209 HydrophobicContact CE-CG2 4.42Å; M128-V209 HydrophobicContact SD-CG1 4.33Å; M128-F213 HydrophobicContact CE-CZ 4.32Å; M128-F213 HydrophobicContact SD-CE2 3.77Å; M128-F213 HydrophobicContact SD-CZ 3.74Å
129D98.3Very high97.7Very high1 Ų126.4 Ų26.41%0.00514%0.139CC..  trans-126.1106.6179.3-163-43.6000110.9T62 A63 L107 A110 R131 F132T62-D129 WeakPolarHBondContact CA-OD2 3.22Å; A63-D129 HydrophobicContact CB-CB 4.07Å; A63-D129 PolarHBondContact N-OD2 3.26Å; L107-D129 HydrophobicContact CD1-CB 3.59Å; A110-D129 PolarHBondContact O-N 3.37Å; D129-R131 PolarHBondContact O-N 3.37Å; D129-R131 VanDerWaalsContact O-N 3.07Å; D129-R131 WeakPolarHBondContact OD1-CB 3.25Å; D129-R131 WeakPolarHBondContact OD1-CG 3.28Å; D129-R131 IonicContact OD1-CZ 2.76Å; D129-R131 PolarHBondContact OD1-N 3.23Å; D129-R131 IonicContact OD1-NE 2.56Å; D129-R131 PolarHBondContact OD1-NE 3.22Å; D129-R131 IonicContact OD1-NH2 2.93Å; D129-R131 IonicContact OD2-CZ 2.87Å; D129-R131 IonicContact OD2-NE 3.76Å; D129-R131 PolarHBondContact OD2-NE 2.68Å; D129-R131 VanDerWaalsContact OD2-NE 3.13Å; D129-R131 IonicContact OD2-NH2 2.67Å; D129-R131 PolarHBondContact OD2-NH2 2.68Å; D129-F132 PolarHBondContact O-N 3.12Å
130S97Very high97.7Very high20 Ų2023.5 Ų23.514%0.1412%0.124CC..THydrogen-bonded Turntrans-67-9.4-177.462.40000113.9F132 M134S130-F132 PolarHBondContact O-N 2.92Å; S130-M134 WeakPolarHBondContact O-CA 2.9Å; S130-M134 PolarHBondContact O-N 3.08Å
131R96.5Very high97.8Very high84 Ų8421.2 Ų21.232%0.31710%0.101SC..THydrogen-bonded Turntrans-68.4-23175.3-58.6176-60.4140.65.4112.6T105 D129T105-R131 HydrophobicContact CG2-CB 3.67Å; D129-R131 PolarHBondContact O-N 3.37Å; D129-R131 VanDerWaalsContact O-N 3.07Å; D129-R131 WeakPolarHBondContact OD1-CB 3.25Å; D129-R131 WeakPolarHBondContact OD1-CG 3.28Å; D129-R131 IonicContact OD1-CZ 2.76Å; D129-R131 PolarHBondContact OD1-N 3.23Å; D129-R131 IonicContact OD1-NE 2.56Å; D129-R131 PolarHBondContact OD1-NE 3.22Å; D129-R131 IonicContact OD1-NH2 2.93Å; D129-R131 IonicContact OD2-CZ 2.87Å; D129-R131 IonicContact OD2-NE 3.76Å; D129-R131 PolarHBondContact OD2-NE 2.68Å; D129-R131 VanDerWaalsContact OD2-NE 3.13Å; D129-R131 IonicContact OD2-NH2 2.67Å; D129-R131 PolarHBondContact OD2-NH2 2.68Å
132F97.8Very high97.9Very high0 Ų020.3 Ų20.30%010%0.096CC..THydrogen-bonded Turntrans-99.2109177.9-169.7-64.5000108.8I98 D101 Q102 T105 L107 E109 A110 D129 S130 M134 G135I98-F132 HydrophobicContact CD1-CE1 3.66Å; I98-F132 HydrophobicContact CD1-CZ 3.89Å; I98-F132 HydrophobicContact CG2-CZ 4.19Å; D101-F132 HydrophobicContact CB-CD1 4.23Å; D101-F132 HydrophobicContact CB-CD2 3.78Å; D101-F132 HydrophobicContact CB-CE1 4.3Å; D101-F132 HydrophobicContact CB-CE2 3.89Å; D101-F132 HydrophobicContact CB-CG 3.96Å; D101-F132 HydrophobicContact CB-CZ 4.15Å; Q102-F132 HydrophobicContact CG-CE2 3.68Å; Q102-F132 HydrophobicContact CG-CZ 4.18Å; T105-F132 HydrophobicContact CG2-CB 4.3Å; L107-F132 HydrophobicContact CB-CD2 4.21Å; E109-F132 WeakPolarHBondContact OE2-CE1 3.26Å; E109-F132 WeakPolarHBondContact OE2-CZ 3.29Å; A110-F132 HydrophobicContact CB-CB 3.68Å; A110-F132 HydrophobicContact CB-CD1 3.82Å; A110-F132 HydrophobicContact CB-CG 3.98Å; A110-F132 WeakPolarHBondContact CB-O 3.39Å; D129-F132 PolarHBondContact O-N 3.12Å; S130-F132 PolarHBondContact O-N 2.92Å; F132-M134 PolarHBondContact O-N 3.13Å; F132-G135 PolarHBondContact O-N 3.16Å
133R95.9Very high98Very high69 Ų6918.5 Ų18.526%0.269%0.089SC..G310 helixtrans44.638.9-179.8-63-61.4-53.8119.75.6114.1I98 D101 G135 S136 R169I98-R133 HydrophobicContact CD1-CG 4.11Å; D101-R133 WeakPolarHBondContact OD2-CA 3.36Å; D101-R133 WeakPolarHBondContact OD2-CD 3.32Å; D101-R133 WeakPolarHBondContact OD2-CG 3.19Å; D101-R133 PolarHBondContact OD2-N 3.36Å; R133-G135 PolarHBondContact O-N 2.73Å; R133-G135 VanDerWaalsContact O-N 3.11Å; R133-S136 PolarHBondContact O-N 3.4Å; R133-S136 VanDerWaalsContact O-N 3.1Å; R133-S136 PolarHBondContact O-OG 3.29Å; R133-R169 PolarHBondContact O-NH1 2.79Å
134M96.3Very high98Very high102 Ų10218.7 Ų18.750%0.5029%0.09SC..G310 helixtrans55.724-175.7-66.8-57.8-57.600114.4S130 F132 S136 S165 G166 P204S130-M134 WeakPolarHBondContact O-CA 2.9Å; S130-M134 PolarHBondContact O-N 3.08Å; F132-M134 PolarHBondContact O-N 3.13Å; M134-S136 PolarHBondContact O-N 2.73Å; M134-S136 VanDerWaalsContact O-N 3.16Å; M134-S165 CarbonylContact O-C 3.47Å; M134-S165 VanDerWaalsContact O-CA 3.27Å; M134-S165 WeakPolarHBondContact O-CA 3.28Å; M134-G166 PolarHBondContact O-N 2.86Å; M134-P204 HydrophobicContact CE-CG 4.07Å
135G97.5Very high98Very high0 Ų018.7 Ų18.70%09%0.09CC..G310 helixtrans62.719.5-176.900000113.3M128 F132 R133 M137 A164 S165M128-G135 WeakPolarHBondContact CE-O 3.23Å; F132-G135 PolarHBondContact O-N 3.16Å; R133-G135 PolarHBondContact O-N 2.73Å; R133-G135 VanDerWaalsContact O-N 3.11Å; G135-M137 PolarHBondContact O-N 2.99Å; G135-A164 WeakPolarHBondContact CA-O 3.29Å; G135-S165 VanDerWaalsContact O-CB 3.29Å; G135-S165 WeakPolarHBondContact O-CB 2.97Å; G135-S165 PolarHBondContact O-OG 2.94Å
136S98.1Very high98Very high9 Ų918.9 Ų18.96%0.0639%0.091CC..  trans-65.8137.9-174.381.80000111R133 M134 G138 I141 S165 G167 R169R133-S136 PolarHBondContact O-N 3.4Å; R133-S136 VanDerWaalsContact O-N 3.1Å; R133-S136 PolarHBondContact O-OG 3.29Å; M134-S136 PolarHBondContact O-N 2.73Å; M134-S136 VanDerWaalsContact O-N 3.16Å; S136-G138 PolarHBondContact O-N 2.67Å; S136-I141 VanDerWaalsContact O-CD1 3.26Å; S136-I141 WeakPolarHBondContact O-CD1 3.28Å; S136-S165 WeakPolarHBondContact CA-OG 3.49Å; S136-G167 CarbonylContact C-O 3.53Å; S136-G167 WeakPolarHBondContact CA-O 3.29Å; S136-G167 WeakPolarHBondContact CB-O 3.44Å; S136-R169 PolarHBondContact O-NH1 2.93Å; S136-R169 PolarHBondContact O-NH2 3.26Å; S136-R169 WeakPolarHBondContact OG-CA 3.28Å; S136-R169 WeakPolarHBondContact OG-CB 3.36Å; S136-R169 WeakPolarHBondContact OG-CD 3.37Å; S136-R169 PolarHBondContact OG-NH1 2.87Å
137M97.7Very high98Very high1 Ų123.9 Ų23.91%0.00511%0.11CC..BIsolated β-bridgetrans-74.4113.9-174.8178.7177.158.400112G135 I141 G167 R169 S176 Q179 M180 V209 F213G135-M137 PolarHBondContact O-N 2.99Å; M137-I141 HydrophobicContact CG-CB 4.41Å; M137-I141 HydrophobicContact CG-CG2 4.31Å; M137-G167 PolarHBondContact N-O 3.1Å; M137-R169 VanDerWaalsContact O-CB 3.27Å; M137-R169 WeakPolarHBondContact O-CB 3.33Å; M137-R169 PolarHBondContact O-N 3.4Å; M137-S176 VanDerWaalsContact O-CB 3.27Å; M137-S176 WeakPolarHBondContact O-CB 3.33Å; M137-S176 PolarHBondContact O-OG 2.63Å; M137-Q179 HydrophobicContact CE-CB 3.96Å; M137-Q179 HydrophobicContact CG-CB 3.89Å; M137-Q179 HydrophobicContact CG-CG 4.41Å; M137-Q179 HydrophobicContact SD-CB 3.5Å; M137-Q179 WeakPolarHBondContact SD-CB 3.43Å; M137-M180 HydrophobicContact CE-CB 4.31Å; M137-M180 HydrophobicContact CE-CG 3.4Å; M137-M180 VanDerWaalsContact CE-CG 3.4Å; M137-V209 HydrophobicContact CB-CG2 3.65Å; M137-F213 HydrophobicContact SD-CD1 4.2Å; M137-F213 HydrophobicContact SD-CE1 3.49Å; M137-F213 WeakPolarHBondContact SD-CE1 3.49Å; M137-F213 HydrophobicContact SD-CZ 4.46Å
138G97.4Very high98Very high1 Ų123.7 Ų23.71%0.0111%0.109CC..  trans-112.2-174.616400000111.6S136 V140 I141 G142S136-G138 PolarHBondContact O-N 2.67Å; G138-V140 VanDerWaalsContact C-N 3.34Å; G138-V140 PolarHBondContact O-N 2.89Å; G138-I141 PolarHBondContact O-N 2.91Å; G138-G142 PolarHBondContact O-N 3.27Å; G138-G142 VanDerWaalsContact O-N 3.08Å
139S97.7Very high98Very high31 Ų3123.4 Ų23.422%0.21711%0.108CC..Hα-helixtrans-51.3-45.3-179.251.50000113.8G142 E143 E172S139-G142 PolarHBondContact O-N 3.46Å; S139-E143 WeakPolarHBondContact O-CB 3.39Å; S139-E143 PolarHBondContact O-N 3.15Å; S139-E172 WeakPolarHBondContact CB-OE2 3.29Å; S139-E172 PolarHBondContact N-OE2 2.93Å; S139-E172 PolarHBondContact OG-OE2 3.16Å
140V98.4Very high98Very high9 Ų925.9 Ų25.96%0.05512%0.121CC..Hα-helixtrans-68-39.7-179.2174.30000112.3M83 T84 E109 G138 E143 K144M83-V140 HydrophobicContact CB-CG1 4.25Å; M83-V140 HydrophobicContact CG-CG1 3.73Å; M83-V140 HydrophobicContact CG-CG2 4.24Å; M83-V140 HydrophobicContact SD-CG1 3.8Å; M83-V140 HydrophobicContact SD-CG2 4.48Å; T84-V140 WeakPolarHBondContact O-CG2 3.38Å; E109-V140 HydrophobicContact CB-CG1 3.84Å; E109-V140 HydrophobicContact CG-CB 3.65Å; E109-V140 HydrophobicContact CG-CG1 3.34Å; G138-V140 VanDerWaalsContact C-N 3.34Å; G138-V140 PolarHBondContact O-N 2.89Å; V140-E143 PolarHBondContact O-N 2.95Å; V140-K144 HydrophobicContact CG1-CD 4.06Å; V140-K144 HydrophobicContact CG1-CG 4.24Å; V140-K144 WeakPolarHBondContact O-CB 3.3Å; V140-K144 WeakPolarHBondContact O-CG 3.49Å; V140-K144 PolarHBondContact O-N 2.89Å
141I98.5Very high98.1Very high0 Ų028 Ų280%013%0.126CC..Hα-helixtrans-62.4-47.9175.6-62.9-170.3000109.7E109 A110 V111 M128 S136 M137 G138 E143 K144 I145E109-I141 HydrophobicContact CG-CG1 4.4Å; E109-I141 WeakPolarHBondContact OE1-CD1 3.49Å; E109-I141 WeakPolarHBondContact OE1-CG1 3.38Å; A110-I141 HydrophobicContact CB-CD1 3.79Å; V111-I141 HydrophobicContact CB-CG1 4.49Å; V111-I141 HydrophobicContact CB-CG2 4.33Å; V111-I141 HydrophobicContact CG1-CB 4.24Å; V111-I141 HydrophobicContact CG1-CG1 4.1Å; V111-I141 HydrophobicContact CG1-CG2 4.12Å; M128-I141 HydrophobicContact CE-CD1 4.16Å; M128-I141 HydrophobicContact CE-CG2 4.19Å; S136-I141 VanDerWaalsContact O-CD1 3.26Å; S136-I141 WeakPolarHBondContact O-CD1 3.28Å; M137-I141 HydrophobicContact CG-CB 4.41Å; M137-I141 HydrophobicContact CG-CG2 4.31Å; G138-I141 PolarHBondContact O-N 2.91Å; I141-E143 PolarHBondContact O-N 3.4Å; I141-K144 PolarHBondContact O-N 3.31Å; I141-I145 HydrophobicContact CG2-CD1 3.61Å; I141-I145 HydrophobicContact CG2-CG1 4.4Å; I141-I145 WeakPolarHBondContact O-CB 3.36Å; I141-I145 VanDerWaalsContact O-CG1 3.29Å; I141-I145 WeakPolarHBondContact O-CG1 3.49Å; I141-I145 PolarHBondContact O-N 2.83Å
142G98.5Very high98.2Very high0 Ų024 Ų240%011%0.111CC..Hα-helixtrans-60.5-44.4177.700000112.5G138 S139 I145 C146G138-G142 PolarHBondContact O-N 3.27Å; G138-G142 VanDerWaalsContact O-N 3.08Å; S139-G142 PolarHBondContact O-N 3.46Å; G142-I145 PolarHBondContact O-N 2.94Å; G142-C146 WeakPolarHBondContact O-CB 3.43Å; G142-C146 PolarHBondContact O-N 3.34Å; G142-C146 PolarHBondContact O-SG 2.75Å
143E98.7Very high98.2Very high52 Ų5225.3 Ų25.324%0.24312%0.119CC..Hα-helixtrans-59.8-52.3175.7-179.165.9-168.300112.2M83 S139 V140 I141 I145 C146 R147 K182M83-E143 HydrophobicContact CE-CG 3.94Å; M83-E143 HydrophobicContact SD-CB 4.26Å; M83-E143 HydrophobicContact SD-CG 3.86Å; S139-E143 WeakPolarHBondContact O-CB 3.39Å; S139-E143 PolarHBondContact O-N 3.15Å; V140-E143 PolarHBondContact O-N 2.95Å; I141-E143 PolarHBondContact O-N 3.4Å; E143-I145 VanDerWaalsContact C-N 3.32Å; E143-I145 PolarHBondContact O-N 2.84Å; E143-C146 PolarHBondContact O-N 3.32Å; E143-R147 WeakPolarHBondContact O-CG 3.44Å; E143-R147 PolarHBondContact O-N 3.35Å; E143-R147 IonicContact OE1-CZ 2.72Å; E143-R147 VanDerWaalsContact OE1-CZ 3.25Å; E143-R147 IonicContact OE1-NE 2.74Å; E143-R147 PolarHBondContact OE1-NE 3Å; E143-R147 IonicContact OE1-NH2 2.92Å; E143-R147 PolarHBondContact OE1-NH2 2.84Å; E143-K182 IonicContact OE2-NZ 3.79Å; E143-K182 PolarHBondContact OE2-NZ 2.81Å
144K98.8Very high98.3Very high4 Ų429.5 Ų29.52%0.01714%0.141CC..Hα-helixtrans-61.5-40.3-179.3-71.9-173.168.7170.60112.1D80 M83 V111 T113 V140 I141 R147 I148D80-K144 HydrophobicContact CB-CD 4.3Å; D80-K144 HydrophobicContact CB-CG 4.08Å; M83-K144 HydrophobicContact SD-CG 3.88Å; V111-K144 HydrophobicContact CG1-CB 3.93Å; V111-K144 HydrophobicContact CG1-CD 3.98Å; V111-K144 PolarHBondContact O-NZ 3.4Å; T113-K144 HydrophobicContact CG2-CB 4.02Å; T113-K144 WeakPolarHBondContact OG1-CE 3.49Å; V140-K144 HydrophobicContact CG1-CD 4.06Å; V140-K144 HydrophobicContact CG1-CG 4.24Å; V140-K144 WeakPolarHBondContact O-CB 3.3Å; V140-K144 WeakPolarHBondContact O-CG 3.49Å; V140-K144 PolarHBondContact O-N 2.89Å; I141-K144 PolarHBondContact O-N 3.31Å; K144-R147 PolarHBondContact O-N 2.72Å; K144-I148 WeakPolarHBondContact O-CG2 3.38Å; K144-I148 PolarHBondContact O-N 2.85Å; K144-I148 VanDerWaalsContact O-N 3.14Å
145I98.8Very high98.4Very high0 Ų028.2 Ų28.20%014%0.137CC..Hα-helixtrans-64.1-46.5175.9-71.7171.1000110.6V111 A126 I141 G142 E143 R147 I148 I149 L161 T183 F213V111-I145 HydrophobicContact CG2-CG1 4.45Å; A126-I145 HydrophobicContact CB-CG1 4.42Å; I141-I145 HydrophobicContact CG2-CD1 3.61Å; I141-I145 HydrophobicContact CG2-CG1 4.4Å; I141-I145 WeakPolarHBondContact O-CB 3.36Å; I141-I145 VanDerWaalsContact O-CG1 3.29Å; I141-I145 WeakPolarHBondContact O-CG1 3.49Å; I141-I145 PolarHBondContact O-N 2.83Å; G142-I145 PolarHBondContact O-N 2.94Å; E143-I145 VanDerWaalsContact C-N 3.32Å; E143-I145 PolarHBondContact O-N 2.84Å; I145-R147 PolarHBondContact O-N 2.57Å; I145-I148 VanDerWaalsContact O-CG2 3.22Å; I145-I148 WeakPolarHBondContact O-CG2 3.43Å; I145-I148 PolarHBondContact O-N 3.45Å; I145-I149 HydrophobicContact CG2-CD1 3.48Å; I145-I149 VanDerWaalsContact CG2-CD1 3.48Å; I145-I149 HydrophobicContact CG2-CG1 4.36Å; I145-I149 WeakPolarHBondContact O-CD1 3.5Å; I145-I149 VanDerWaalsContact O-CG1 3.22Å; I145-I149 WeakPolarHBondContact O-CG1 3.5Å; I145-I149 PolarHBondContact O-N 2.99Å; I145-L161 HydrophobicContact CD1-CD1 4.05Å; I145-L161 HydrophobicContact CG1-CD1 4.33Å; I145-L161 HydrophobicContact CG2-CD1 4.11Å; I145-T183 HydrophobicContact CB-CG2 4.12Å; I145-T183 HydrophobicContact CG2-CG2 3.81Å; I145-F213 HydrophobicContact CD1-CD1 4.18Å; I145-F213 HydrophobicContact CD1-CE1 3.62Å; I145-F213 HydrophobicContact CD1-CE2 4.04Å; I145-F213 HydrophobicContact CD1-CZ 3.57Å
146C98.9Very high98.4Very high4 Ų434.1 Ų34.13%0.02716%0.159CC..Hα-helixtrans-60.3-46.4177.5-64.10000111.2G142 E143 I148 I149 D150G142-C146 WeakPolarHBondContact O-CB 3.43Å; G142-C146 PolarHBondContact O-N 3.34Å; G142-C146 PolarHBondContact O-SG 2.75Å; E143-C146 PolarHBondContact O-N 3.32Å; C146-I148 PolarHBondContact O-N 2.81Å; C146-I149 PolarHBondContact O-N 3.44Å; C146-D150 WeakPolarHBondContact O-CB 3.46Å; C146-D150 PolarHBondContact O-N 3.29Å
147R98.9Very high98.4Very high105 Ų10534.6 Ų34.640%0.39616%0.161SC..Hα-helixtrans-58-44.4179.5-74.2-177.7-176.3-154.3-4.8113.1D80 E143 K144 I145 Y151D80-R147 IonicContact OD1-CZ 3.25Å; D80-R147 IonicContact OD1-NH1 2.89Å; D80-R147 PolarHBondContact OD1-NH1 3.38Å; D80-R147 VanDerWaalsContact OD2-CD 3.23Å; D80-R147 WeakPolarHBondContact OD2-CD 3.24Å; E143-R147 WeakPolarHBondContact O-CG 3.44Å; E143-R147 PolarHBondContact O-N 3.35Å; E143-R147 IonicContact OE1-CZ 2.72Å; E143-R147 VanDerWaalsContact OE1-CZ 3.25Å; E143-R147 IonicContact OE1-NE 2.74Å; E143-R147 PolarHBondContact OE1-NE 3Å; E143-R147 IonicContact OE1-NH2 2.92Å; E143-R147 PolarHBondContact OE1-NH2 2.84Å; K144-R147 PolarHBondContact O-N 2.72Å; I145-R147 PolarHBondContact O-N 2.57Å; R147-Y151 VanDerWaalsContact O-CB 3.31Å; R147-Y151 WeakPolarHBondContact O-CB 3.45Å; R147-Y151 PolarHBondContact O-N 2.75Å
148I98.9Very high98.4Very high0 Ų036 Ų360%017%0.17CC..Hα-helixtrans-70.3-37.7178.6-173.758.8000111.7F79 T113 G114 T115 A126 K144 I145 C146 Y151 C152 F159F79-I148 HydrophobicContact CD2-CD1 3.77Å; F79-I148 HydrophobicContact CE2-CD1 3.67Å; T113-I148 HydrophobicContact CG2-CG2 3.95Å; G114-I148 VanDerWaalsContact O-CD1 3.23Å; G114-I148 WeakPolarHBondContact O-CD1 3.33Å; T115-I148 HydrophobicContact CG2-CD1 4.18Å; A126-I148 HydrophobicContact CB-CG2 4.36Å; K144-I148 WeakPolarHBondContact O-CG2 3.38Å; K144-I148 PolarHBondContact O-N 2.85Å; K144-I148 VanDerWaalsContact O-N 3.14Å; I145-I148 VanDerWaalsContact O-CG2 3.22Å; I145-I148 WeakPolarHBondContact O-CG2 3.43Å; I145-I148 PolarHBondContact O-N 3.45Å; C146-I148 PolarHBondContact O-N 2.81Å; I148-Y151 HydrophobicContact CD1-CD1 4.37Å; I148-Y151 PolarHBondContact O-N 3.39Å; I148-C152 WeakPolarHBondContact O-CB 3.49Å; I148-C152 PolarHBondContact O-N 2.89Å; I148-C152 PolarHBondContact O-SG 3.19Å; I148-F159 HydrophobicContact CB-CE2 4.41Å; I148-F159 HydrophobicContact CG1-CD2 4.25Å; I148-F159 HydrophobicContact CG1-CE2 3.95Å; I148-F159 HydrophobicContact CG2-CD2 4.47Å; I148-F159 HydrophobicContact CG2-CE2 3.56Å; I148-F159 HydrophobicContact CG2-CZ 3.89Å
149I98.9Very high98.5Very high0 Ų036 Ų360%017%0.17CC..Hα-helixtrans-64.2-46.3175.7-66160.2000110.7I145 C146 Y151 C152 T153 F159 S186 L187 H190I145-I149 HydrophobicContact CG2-CD1 3.48Å; I145-I149 VanDerWaalsContact CG2-CD1 3.48Å; I145-I149 HydrophobicContact CG2-CG1 4.36Å; I145-I149 WeakPolarHBondContact O-CD1 3.5Å; I145-I149 VanDerWaalsContact O-CG1 3.22Å; I145-I149 WeakPolarHBondContact O-CG1 3.5Å; I145-I149 PolarHBondContact O-N 2.99Å; C146-I149 PolarHBondContact O-N 3.44Å; I149-Y151 PolarHBondContact O-N 3.24Å; I149-C152 PolarHBondContact O-N 3.05Å; I149-T153 WeakPolarHBondContact O-CB 3.48Å; I149-T153 PolarHBondContact O-N 3.45Å; I149-T153 PolarHBondContact O-OG1 2.91Å; I149-F159 HydrophobicContact CD1-CE1 3.98Å; I149-F159 HydrophobicContact CG1-CD1 3.71Å; I149-F159 HydrophobicContact CG1-CE1 3.45Å; I149-F159 VanDerWaalsContact CG1-CE1 3.45Å; I149-F159 HydrophobicContact CG1-CE2 4.48Å; I149-F159 HydrophobicContact CG1-CG 4.34Å; I149-F159 HydrophobicContact CG1-CZ 3.88Å; I149-S186 WeakPolarHBondContact CG2-O 3.38Å; I149-L187 HydrophobicContact CD1-CD2 3.52Å; I149-L187 HydrophobicContact CD1-CG 3.72Å; I149-L187 HydrophobicContact CG1-CD2 3.94Å; I149-L187 HydrophobicContact CG2-CD2 4.29Å; I149-H190 HydrophobicContact CG2-CB 3.85Å
150D98.8Very high98.5Very high53 Ų5334.5 Ų34.528%0.28316%0.159SC..Hα-helixtrans-62.3-45.3179.7-65.4-13.4000109.6C146 C152 T153 E154 S186C146-D150 WeakPolarHBondContact O-CB 3.46Å; C146-D150 PolarHBondContact O-N 3.29Å; D150-C152 PolarHBondContact O-N 2.87Å; D150-T153 WeakPolarHBondContact O-CB 3.36Å; D150-T153 PolarHBondContact O-N 2.89Å; D150-T153 VanDerWaalsContact O-N 3.13Å; D150-E154 WeakPolarHBondContact O-CG 3.42Å; D150-E154 PolarHBondContact O-N 3.49Å; D150-S186 WeakPolarHBondContact OD1-CB 3.45Å; D150-S186 PolarHBondContact OD1-OG 3.4Å
151Y98.9Very high98.6Very high64 Ų6434.1 Ų34.125%0.25116%0.157SC..Hα-helixtrans-57.2-45.5172.5178.4-85000112.4F79 T115 K122 R147 I148 I149 T153 E154 N155 L157F79-Y151 AromaticContact CE2-CD1 3.83Å; F79-Y151 HydrophobicContact CE2-CD1 3.83Å; F79-Y151 AromaticContact CE2-CD2 3.93Å; F79-Y151 HydrophobicContact CE2-CD2 3.93Å; F79-Y151 HydrophobicContact CE2-CE1 4.18Å; F79-Y151 HydrophobicContact CE2-CE2 4.24Å; F79-Y151 AromaticContact CE2-CG 3.72Å; F79-Y151 HydrophobicContact CE2-CG 3.72Å; F79-Y151 HydrophobicContact CZ-CD1 4.21Å; F79-Y151 HydrophobicContact CZ-CD2 4.18Å; F79-Y151 HydrophobicContact CZ-CE1 4.08Å; F79-Y151 HydrophobicContact CZ-CE2 4.02Å; F79-Y151 HydrophobicContact CZ-CG 4.28Å; F79-Y151 AromaticContact CZ-CZ 3.97Å; T115-Y151 HydrophobicContact CG2-CD1 3.96Å; T115-Y151 HydrophobicContact CG2-CE1 3.49Å; T115-Y151 VanDerWaalsContact CG2-CE1 3.49Å; K122-Y151 PolarHBondContact NZ-OH 3.48Å; R147-Y151 VanDerWaalsContact O-CB 3.31Å; R147-Y151 WeakPolarHBondContact O-CB 3.45Å; R147-Y151 PolarHBondContact O-N 2.75Å; I148-Y151 HydrophobicContact CD1-CD1 4.37Å; I148-Y151 PolarHBondContact O-N 3.39Å; I149-Y151 PolarHBondContact O-N 3.24Å; Y151-T153 VanDerWaalsContact C-N 3.29Å; Y151-T153 PolarHBondContact O-N 2.97Å; Y151-E154 PolarHBondContact O-N 2.83Å; Y151-N155 HydrophobicContact CE1-CB 4.27Å; Y151-N155 WeakPolarHBondContact CE2-ND2 3.28Å; Y151-N155 WeakPolarHBondContact O-CB 3.43Å; Y151-N155 PolarHBondContact O-N 3.19Å; Y151-N155 PolarHBondContact O-ND2 3.42Å; Y151-L157 HydrophobicContact CD1-CD1 4.41Å; Y151-L157 HydrophobicContact CE1-CD1 3.82Å
152C98.7Very high98.6Very high0 Ų034.1 Ų34.10%016%0.157CC..Hα-helixtrans-63.8-37.6177.9-68.30000111.6G124 I148 I149 D150 N155 R156 L157 F159G124-C152 WeakPolarHBondContact CA-SG 3.43Å; I148-C152 WeakPolarHBondContact O-CB 3.49Å; I148-C152 PolarHBondContact O-N 2.89Å; I148-C152 PolarHBondContact O-SG 3.19Å; I149-C152 PolarHBondContact O-N 3.05Å; D150-C152 PolarHBondContact O-N 2.87Å; C152-N155 CarbonylContact O-C 3.55Å; C152-N155 PolarHBondContact O-N 3.48Å; C152-R156 CarbonylContact O-C 3.55Å; C152-R156 WeakPolarHBondContact O-CA 3.43Å; C152-R156 PolarHBondContact O-N 2.89Å; C152-L157 HydrophobicContact CB-CB 4.21Å; C152-L157 WeakPolarHBondContact CB-O 3.38Å; C152-L157 PolarHBondContact O-N 3.5Å; C152-F159 HydrophobicContact CB-CB 4.41Å
153T98.4Very high98.6Very high28 Ų2834.1 Ų34.117%0.17216%0.157CC..Hα-helixtrans-65.3-48.4177.9-52.70000111.1I149 D150 Y151 N155 R156 H190 A193 L195I149-T153 WeakPolarHBondContact O-CB 3.48Å; I149-T153 PolarHBondContact O-N 3.45Å; I149-T153 PolarHBondContact O-OG1 2.91Å; D150-T153 WeakPolarHBondContact O-CB 3.36Å; D150-T153 PolarHBondContact O-N 2.89Å; D150-T153 VanDerWaalsContact O-N 3.13Å; Y151-T153 VanDerWaalsContact C-N 3.29Å; Y151-T153 PolarHBondContact O-N 2.97Å; T153-N155 VanDerWaalsContact C-N 3.31Å; T153-N155 PolarHBondContact O-N 3.06Å; T153-R156 PolarHBondContact O-N 3.44Å; T153-H190 WeakPolarHBondContact OG1-CA 3.41Å; T153-H190 WeakPolarHBondContact OG1-CB 3.45Å; T153-H190 PolarHBondContact OG1-ND1 3.44Å; T153-A193 HydrophobicContact CG2-CB 3.9Å; T153-L195 HydrophobicContact CG2-CD1 4.37Å
154E98.4Very high98.5Very high156 Ų15631.9 Ų31.973%0.72915%0.147SC*.Hα-helixtrans-62.1-38.3177.6-71.4173.6-17700112.4D150 Y151D150-E154 WeakPolarHBondContact O-CG 3.42Å; D150-E154 PolarHBondContact O-N 3.49Å; Y151-E154 PolarHBondContact O-N 2.83Å
155N98Very high98.5Very high75 Ų7531.7 Ų31.740%0.40115%0.147SC..THydrogen-bonded Turntrans-95.88.3-177.8-66.8-93.3000113.4Y151 C152 T153 L157Y151-N155 HydrophobicContact CE1-CB 4.27Å; Y151-N155 WeakPolarHBondContact CE2-ND2 3.28Å; Y151-N155 WeakPolarHBondContact O-CB 3.43Å; Y151-N155 PolarHBondContact O-N 3.19Å; Y151-N155 PolarHBondContact O-ND2 3.42Å; C152-N155 CarbonylContact O-C 3.55Å; C152-N155 PolarHBondContact O-N 3.48Å; T153-N155 VanDerWaalsContact C-N 3.31Å; T153-N155 PolarHBondContact O-N 3.06Å; N155-L157 VanDerWaalsContact C-N 3.26Å; N155-L157 HydrophobicContact CB-CD1 4.11Å; N155-L157 HydrophobicContact CB-CG 3.95Å; N155-L157 PolarHBondContact O-N 2.58Å
156R97.1Very high98.3Very high124 Ų12433.7 Ų33.747%0.46817%0.167SC..THydrogen-bonded Turntrans50.540.5-178.6-55.2-170.865.867.92.8114.3C152 T153 A193 L195 E282C152-R156 CarbonylContact O-C 3.55Å; C152-R156 WeakPolarHBondContact O-CA 3.43Å; C152-R156 PolarHBondContact O-N 2.89Å; T153-R156 PolarHBondContact O-N 3.44Å; R156-A193 PolarHBondContact NH1-O 3.09Å; R156-L195 HydrophobicContact CB-CD2 3.93Å; R156-E282 IonicContact CZ-OE1 3.73Å; R156-E282 IonicContact NE-OE1 2.72Å; R156-E282 PolarHBondContact NE-OE1 3.41Å; R156-E282 IonicContact NH2-OE1 2.66Å; R156-E282 PolarHBondContact NH2-OE1 2.84Å
157L97.8Very high98.1Very high20 Ų2033.7 Ų33.711%0.10517%0.167CC..  trans-97.5143.9179.7-57.3178.9000110.8T115 K122 Y151 C152 N155 H190T115-L157 HydrophobicContact CG2-CD1 4.29Å; K122-L157 HydrophobicContact CB-CD2 4.14Å; K122-L157 HydrophobicContact CD-CD1 4.06Å; K122-L157 HydrophobicContact CD-CD2 4.15Å; K122-L157 HydrophobicContact CG-CD1 4.12Å; K122-L157 HydrophobicContact CG-CD2 4.13Å; Y151-L157 HydrophobicContact CD1-CD1 4.41Å; Y151-L157 HydrophobicContact CE1-CD1 3.82Å; C152-L157 HydrophobicContact CB-CB 4.21Å; C152-L157 WeakPolarHBondContact CB-O 3.38Å; C152-L157 PolarHBondContact O-N 3.5Å; N155-L157 VanDerWaalsContact C-N 3.26Å; N155-L157 HydrophobicContact CB-CD1 4.11Å; N155-L157 HydrophobicContact CB-CG 3.95Å; N155-L157 PolarHBondContact O-N 2.58Å; L157-H190 PolarHBondContact O-CE1 2.73Å
158P98.3Very high98Very high31 Ų3131.1 Ų31.120%0.20117%0.169CC..  trans-64.9149.6166.928.6-33.6000110.5F123 G124 L196 L277F123-P158 WeakPolarHBondContact CA-O 3.26Å; F123-P158 HydrophobicContact CB-CG 3.91Å; F123-P158 WeakPolarHBondContact CB-O 3.24Å; G124-P158 PolarHBondContact N-O 3.44Å; P158-L196 WeakPolarHBondContact CA-O 3.22Å; P158-L196 HydrophobicContact CB-CB 4.19Å; P158-L196 HydrophobicContact CB-CD2 4.43Å; P158-L277 HydrophobicContact CB-CD2 3.7Å; P158-L277 HydrophobicContact CG-CD2 3.67Å
159F98.8Very high97.9Very high0 Ų031.1 Ų31.10%017%0.169CC..EExtended strand (participates in β ladder)trans-118.5136-179.4178.7-122.1000111.6G124 A126 I148 I149 C152 L161 L187 L196 Y197 I198G124-F159 WeakPolarHBondContact O-CA 3.31Å; G124-F159 WeakPolarHBondContact O-CD2 3.47Å; A126-F159 HydrophobicContact CB-CE2 3.88Å; A126-F159 HydrophobicContact CB-CZ 3.67Å; I148-F159 HydrophobicContact CB-CE2 4.41Å; I148-F159 HydrophobicContact CG1-CD2 4.25Å; I148-F159 HydrophobicContact CG1-CE2 3.95Å; I148-F159 HydrophobicContact CG2-CD2 4.47Å; I148-F159 HydrophobicContact CG2-CE2 3.56Å; I148-F159 HydrophobicContact CG2-CZ 3.89Å; I149-F159 HydrophobicContact CD1-CE1 3.98Å; I149-F159 HydrophobicContact CG1-CD1 3.71Å; I149-F159 HydrophobicContact CG1-CE1 3.45Å; I149-F159 VanDerWaalsContact CG1-CE1 3.45Å; I149-F159 HydrophobicContact CG1-CE2 4.48Å; I149-F159 HydrophobicContact CG1-CG 4.34Å; I149-F159 HydrophobicContact CG1-CZ 3.88Å; C152-F159 HydrophobicContact CB-CB 4.41Å; F159-L161 HydrophobicContact CE1-CB 3.87Å; F159-L161 HydrophobicContact CE1-CD1 4.01Å; F159-L161 HydrophobicContact CZ-CB 3.95Å; F159-L161 HydrophobicContact CZ-CD1 4.01Å; F159-L161 HydrophobicContact CZ-CG 4.36Å; F159-L187 HydrophobicContact CD1-CD2 4.14Å; F159-L187 HydrophobicContact CE1-CD2 4.28Å; F159-L196 PolarHBondContact N-O 3.06Å; F159-Y197 HydrophobicContact CB-CD2 4.42Å; F159-Y197 AromaticContact CD1-CD2 3.37Å; F159-Y197 HydrophobicContact CD1-CD2 3.37Å; F159-Y197 AromaticContact CD1-CE2 3.62Å; F159-Y197 HydrophobicContact CD1-CE2 3.62Å; F159-Y197 HydrophobicContact CD1-CG 4.26Å; F159-Y197 AromaticContact CE1-CD2 3.99Å; F159-Y197 HydrophobicContact CE1-CD2 3.99Å; F159-Y197 AromaticContact CE1-CE2 3.73Å; F159-Y197 HydrophobicContact CE1-CE2 3.73Å; F159-Y197 HydrophobicContact CG-CD2 4.25Å; F159-Y197 WeakPolarHBondContact O-CA 3.42Å; F159-I198 PolarHBondContact O-N 3.2Å
160I98.9Very high97.7Very high0 Ų037.5 Ų37.50%020%0.2CC..EExtended strand (participates in β ladder)trans-124.9125.8177.4-50.9-179.5000109.5F123 G124 V125 A126 F162 I198 L273 L277F123-I160 HydrophobicContact CD2-CB 4.26Å; F123-I160 HydrophobicContact CD2-CD1 3.6Å; F123-I160 HydrophobicContact CD2-CG1 3.85Å; F123-I160 HydrophobicContact CE2-CB 4.4Å; F123-I160 HydrophobicContact CE2-CD1 3.79Å; F123-I160 HydrophobicContact CE2-CG1 4.29Å; F123-I160 HydrophobicContact CG-CD1 4.3Å; G124-I160 PolarHBondContact O-N 2.97Å; V125-I160 VanDerWaalsContact CA-O 3.29Å; V125-I160 WeakPolarHBondContact CA-O 3.42Å; A126-I160 PolarHBondContact N-O 3.45Å; I160-F162 HydrophobicContact CG2-CD2 4.15Å; I160-F162 HydrophobicContact CG2-CE2 3.59Å; I160-F162 HydrophobicContact CG2-CZ 4.25Å; I160-I198 WeakPolarHBondContact CA-O 3.5Å; I160-I198 HydrophobicContact CD1-CD1 4.2Å; I160-I198 HydrophobicContact CG1-CB 4.26Å; I160-I198 HydrophobicContact CG1-CD1 4.13Å; I160-I198 HydrophobicContact CG1-CG1 4.47Å; I160-I198 HydrophobicContact CG2-CB 4.33Å; I160-L273 HydrophobicContact CD1-CD2 4.22Å; I160-L273 HydrophobicContact CG2-CD2 4.42Å; I160-L277 HydrophobicContact CD1-CD1 4.32Å; I160-L277 HydrophobicContact CD1-CD2 4.43Å
161L98.9Very high97.6Very high0 Ų035.4 Ų35.40%019%0.189CC..EExtended strand (participates in β ladder)trans-118.9122.8178.3-170.5155.4000111.2A126 I145 F159 S163 Y197 I198 Y200 F213A126-L161 HydrophobicContact CB-CD1 4.28Å; A126-L161 HydrophobicContact CB-CG 4.05Å; A126-L161 CarbonylContact O-C 3.02Å; A126-L161 WeakPolarHBondContact O-CA 3.23Å; I145-L161 HydrophobicContact CD1-CD1 4.05Å; I145-L161 HydrophobicContact CG1-CD1 4.33Å; I145-L161 HydrophobicContact CG2-CD1 4.11Å; F159-L161 HydrophobicContact CE1-CB 3.87Å; F159-L161 HydrophobicContact CE1-CD1 4.01Å; F159-L161 HydrophobicContact CZ-CB 3.95Å; F159-L161 HydrophobicContact CZ-CD1 4.01Å; F159-L161 HydrophobicContact CZ-CG 4.36Å; L161-S163 WeakPolarHBondContact CD2-OG 3.21Å; L161-Y197 HydrophobicContact CB-CE2 3.62Å; L161-I198 PolarHBondContact N-O 3.44Å; L161-Y200 WeakPolarHBondContact O-CA 3.29Å; L161-Y200 PolarHBondContact O-N 2.87Å; L161-F213 HydrophobicContact CD1-CB 4.48Å; L161-F213 HydrophobicContact CD1-CD2 3.48Å; L161-F213 VanDerWaalsContact CD1-CD2 3.48Å; L161-F213 HydrophobicContact CD1-CE2 3.88Å; L161-F213 HydrophobicContact CD1-CG 4.12Å; L161-F213 HydrophobicContact CD2-CD2 3.67Å; L161-F213 HydrophobicContact CD2-CE2 3.68Å; L161-F213 HydrophobicContact CG-CD2 4.27Å; L161-F213 HydrophobicContact CG-CE2 4.45Å
162F98.9Very high97.6Very high1 Ų132.3 Ų32.30%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-97.1109.6170.3-68.8-97.6000110.7R66 I70 V125 A126 V127 M128 I160 Y200 T202 M269 L273R66-F162 HydrophobicContact CG-CD1 4.01Å; R66-F162 HydrophobicContact CG-CD2 4.25Å; R66-F162 HydrophobicContact CG-CE1 4.21Å; R66-F162 HydrophobicContact CG-CE2 4.43Å; R66-F162 HydrophobicContact CG-CG 4.01Å; R66-F162 HydrophobicContact CG-CZ 4.39Å; I70-F162 HydrophobicContact CD1-CE2 3.54Å; I70-F162 HydrophobicContact CD1-CZ 3.93Å; I70-F162 HydrophobicContact CG2-CZ 4.25Å; V125-F162 HydrophobicContact CG2-CD2 4.42Å; V125-F162 HydrophobicContact CG2-CE2 4.5Å; A126-F162 PolarHBondContact O-N 3.46Å; V127-F162 HydrophobicContact CB-CB 4.36Å; V127-F162 HydrophobicContact CG1-CB 3.96Å; V127-F162 HydrophobicContact CG2-CB 4.21Å; V127-F162 HydrophobicContact CG2-CD2 3.86Å; V127-F162 HydrophobicContact CG2-CG 4.33Å; M128-F162 WeakPolarHBondContact CB-O 3.41Å; M128-F162 PolarHBondContact N-O 2.56Å; I160-F162 HydrophobicContact CG2-CD2 4.15Å; I160-F162 HydrophobicContact CG2-CE2 3.59Å; I160-F162 HydrophobicContact CG2-CZ 4.25Å; F162-Y200 CarbonylContact C-O 3.52Å; F162-Y200 VanDerWaalsContact CA-O 3.28Å; F162-Y200 WeakPolarHBondContact CA-O 3.1Å; F162-Y200 AromaticContact CD1-CD1 3.94Å; F162-Y200 HydrophobicContact CD1-CD1 3.94Å; F162-Y200 HydrophobicContact CD1-CD2 4.19Å; F162-Y200 AromaticContact CD1-CG 3.65Å; F162-Y200 HydrophobicContact CD1-CG 3.65Å; F162-Y200 AromaticContact CE1-CD1 3.88Å; F162-Y200 HydrophobicContact CE1-CD1 3.88Å; F162-Y200 AromaticContact CE1-CD2 3.46Å; F162-Y200 HydrophobicContact CE1-CD2 3.46Å; F162-Y200 VanDerWaalsContact CE1-CD2 3.46Å; F162-Y200 HydrophobicContact CE1-CE1 4.36Å; F162-Y200 AromaticContact CE1-CE2 3.96Å; F162-Y200 HydrophobicContact CE1-CE2 3.96Å; F162-Y200 AromaticContact CE1-CG 3.4Å; F162-Y200 HydrophobicContact CE1-CG 3.4Å; F162-Y200 VanDerWaalsContact CE1-CG 3.4Å; F162-Y200 AromaticContact CZ-CD2 3.88Å; F162-Y200 HydrophobicContact CZ-CD2 3.88Å; F162-Y200 HydrophobicContact CZ-CE2 4.45Å; F162-Y200 HydrophobicContact CZ-CG 4.16Å; F162-T202 HydrophobicContact CD1-CG2 4.11Å; F162-M269 HydrophobicContact CE1-SD 3.67Å; F162-M269 HydrophobicContact CZ-SD 4.06Å; F162-L273 HydrophobicContact CZ-CD1 3.85Å
163S98.6Very high97.4Very high0 Ų034 Ų340%019%0.194CC..EExtended strand (participates in β ladder)trans-88.1132.5-179.5-73.30000111.5L161 Y200 T202 T205 A214L161-S163 WeakPolarHBondContact CD2-OG 3.21Å; S163-Y200 PolarHBondContact N-O 3.39Å; S163-T202 WeakPolarHBondContact O-CA 3.41Å; S163-T202 WeakPolarHBondContact O-CB 3.31Å; S163-T202 PolarHBondContact O-N 3Å; S163-T202 PolarHBondContact O-OG1 2.92Å; S163-T205 PolarHBondContact O-OG1 3.3Å; S163-T205 VanDerWaalsContact O-OG1 3.07Å; S163-A214 VanDerWaalsContact OG-CB 3.31Å; S163-A214 WeakPolarHBondContact OG-CB 3.33Å
164A97.9Very high97.3Very high5 Ų537.6 Ų37.64%0.04121%0.211CC..EExtended strand (participates in β ladder)trans-149.591173.800000107.5M128 G135 T202 P204M128-A164 HydrophobicContact CB-CB 4.14Å; G135-A164 WeakPolarHBondContact CA-O 3.29Å; A164-T202 WeakPolarHBondContact CB-OG1 3.44Å; A164-P204 CarbonylContact C-O 3.54Å; A164-P204 VanDerWaalsContact CA-O 3.26Å; A164-P204 WeakPolarHBondContact CA-O 3.29Å
165S97.4Very high97.2Very high0 Ų032.4 Ų32.40%019%0.188CC..EExtended strand (participates in β ladder)trans-144.7143.1-170.9-166.40000113.7M134 G135 S136 G167 P204 T205 T206 V209M134-S165 CarbonylContact O-C 3.47Å; M134-S165 VanDerWaalsContact O-CA 3.27Å; M134-S165 WeakPolarHBondContact O-CA 3.28Å; G135-S165 VanDerWaalsContact O-CB 3.29Å; G135-S165 WeakPolarHBondContact O-CB 2.97Å; G135-S165 PolarHBondContact O-OG 2.94Å; S136-S165 WeakPolarHBondContact CA-OG 3.49Å; S165-G167 PolarHBondContact OG-N 2.86Å; S165-G167 VanDerWaalsContact OG-N 3.1Å; S165-G167 PolarHBondContact OG-O 2.76Å; S165-P204 PolarHBondContact N-O 3.23Å; S165-P204 CarbonylContact O-C 3.39Å; S165-P204 VanDerWaalsContact O-O 3.13Å; S165-T205 WeakPolarHBondContact O-CA 2.93Å; S165-T206 PolarHBondContact O-N 3.48Å; S165-T206 PolarHBondContact O-OG1 3.23Å; S165-V209 WeakPolarHBondContact OG-CG2 3.35Å
166G95.2Very high97.2Very high41 Ų4128.8 Ų28.842%0.42317%0.169SC..SBendtrans-88.24.9165.700000114.5M134 T206M134-G166 PolarHBondContact O-N 2.86Å; G166-T206 WeakPolarHBondContact CA-OG1 3.22Å; G166-T206 PolarHBondContact O-OG1 3.24Å
167G95.6Very high97.2Very high4 Ų427 Ų274%0.04117%0.168CC..SBendtrans122.1-145.4177.100000114.6S136 M137 S165 T206S136-G167 CarbonylContact C-O 3.53Å; S136-G167 WeakPolarHBondContact CA-O 3.29Å; S136-G167 WeakPolarHBondContact CB-O 3.44Å; M137-G167 PolarHBondContact N-O 3.1Å; S165-G167 PolarHBondContact OG-N 2.86Å; S165-G167 VanDerWaalsContact OG-N 3.1Å; S165-G167 PolarHBondContact OG-O 2.76Å; G167-T206 VanDerWaalsContact CA-O 3.31Å; G167-T206 WeakPolarHBondContact CA-O 3.2Å
168A95.7Very high97.2Very high51 Ų5131.1 Ų31.142%0.42119%0.188SC..BIsolated β-bridgetrans-81.2147.3179.700000111.9M170A168-M170 PolarHBondContact O-N 2.97Å
169R97.1Very high97.1Very high1 Ų130.4 Ų30.40%0.00418%0.182CC..  trans-72.697.2173-176.386.179.7-128.52.4109.2Y94 E109 R133 S136 M137 Q171 E172 G173 S176Y94-R169 WeakPolarHBondContact OH-CD 3.47Å; Y94-R169 WeakPolarHBondContact OH-CG 3.13Å; Y94-R169 PolarHBondContact OH-NE 3.34Å; E109-R169 IonicContact OE1-NH2 3.4Å; E109-R169 PolarHBondContact OE1-NH2 2.94Å; E109-R169 IonicContact OE2-NH2 3.26Å; E109-R169 PolarHBondContact OE2-NH2 2.79Å; R133-R169 PolarHBondContact O-NH1 2.79Å; S136-R169 PolarHBondContact O-NH1 2.93Å; S136-R169 PolarHBondContact O-NH2 3.26Å; S136-R169 WeakPolarHBondContact OG-CA 3.28Å; S136-R169 WeakPolarHBondContact OG-CB 3.36Å; S136-R169 WeakPolarHBondContact OG-CD 3.37Å; S136-R169 PolarHBondContact OG-NH1 2.87Å; M137-R169 VanDerWaalsContact O-CB 3.27Å; M137-R169 WeakPolarHBondContact O-CB 3.33Å; M137-R169 PolarHBondContact O-N 3.4Å; R169-Q171 HydrophobicContact CG-CB 4.33Å; R169-Q171 PolarHBondContact O-N 3.05Å; R169-Q171 VanDerWaalsContact O-N 3.14Å; R169-E172 HydrophobicContact CG-CB 4.38Å; R169-E172 HydrophobicContact CG-CG 4.19Å; R169-E172 PolarHBondContact O-N 3.07Å; R169-G173 PolarHBondContact O-N 2.81Å; R169-S176 WeakPolarHBondContact CB-OG 3.38Å; R169-S176 PolarHBondContact O-OG 2.86Å
170M95Very high97Very high134 Ų13432.2 Ų32.266%0.6619%0.191SC*.G310 helixtrans-54.2-34-179.2-173.3-17977.600113.1F91 A168 E172 G173F91-M170 HydrophobicContact CZ-CE 4.31Å; A168-M170 PolarHBondContact O-N 2.97Å; M170-E172 PolarHBondContact O-N 2.83Å; M170-G173 PolarHBondContact O-N 2.98Å; M170-G173 VanDerWaalsContact O-N 3.14Å
171Q96.9Very high97Very high8 Ų834.2 Ų34.24%0.03721%0.211CC..G310 helixtrans-64.1-20179.8-67.172.445.700113.3F91 Y94 R169F91-Q171 HydrophobicContact CB-CB 4.42Å; F91-Q171 HydrophobicContact CD1-CB 4.24Å; F91-Q171 HydrophobicContact CD1-CG 3.77Å; F91-Q171 HydrophobicContact CD2-CB 4.39Å; F91-Q171 HydrophobicContact CE1-CG 3.9Å; F91-Q171 HydrophobicContact CG-CB 4.08Å; F91-Q171 HydrophobicContact CG-CG 4.11Å; F91-Q171 HydrophobicContact CZ-CG 4.33Å; Y94-Q171 HydrophobicContact CD1-CB 3.9Å; Y94-Q171 HydrophobicContact CD2-CB 3.55Å; Y94-Q171 HydrophobicContact CD2-CG 3.53Å; Y94-Q171 HydrophobicContact CE1-CB 3.94Å; Y94-Q171 HydrophobicContact CE2-CB 3.58Å; Y94-Q171 HydrophobicContact CE2-CG 3.83Å; Y94-Q171 HydrophobicContact CG-CB 3.72Å; Y94-Q171 HydrophobicContact CG-CG 3.99Å; R169-Q171 HydrophobicContact CG-CB 4.33Å; R169-Q171 PolarHBondContact O-N 3.05Å; R169-Q171 VanDerWaalsContact O-N 3.14Å
172E97.1Very high96.9Very high0 Ų038 Ų380%023%0.228CC..G310 helixtrans-109.21.3178.8-68.2177.7-131.100112.6L89 Y94 S139 R169 M170 I174 I175 S176L89-E172 WeakPolarHBondContact CD1-O 3.43Å; Y94-E172 HydrophobicContact CE1-CG 3.83Å; Y94-E172 PolarHBondContact OH-OE1 3.14Å; S139-E172 WeakPolarHBondContact CB-OE2 3.29Å; S139-E172 PolarHBondContact N-OE2 2.93Å; S139-E172 PolarHBondContact OG-OE2 3.16Å; R169-E172 HydrophobicContact CG-CB 4.38Å; R169-E172 HydrophobicContact CG-CG 4.19Å; R169-E172 PolarHBondContact O-N 3.07Å; M170-E172 PolarHBondContact O-N 2.83Å; E172-I174 PolarHBondContact O-N 3.12Å; E172-I175 HydrophobicContact CB-CB 4.42Å; E172-I175 VanDerWaalsContact O-CB 3.27Å; E172-I175 WeakPolarHBondContact O-CB 3.43Å; E172-I175 PolarHBondContact O-N 3.15Å; E172-S176 WeakPolarHBondContact CB-OG 3.36Å
173G95Very high96.9Very high36 Ų3638 Ų3837%0.37123%0.228SC..THydrogen-bonded Turntrans49-123.1168.600000114.6R169 M170 I175 S176 L177R169-G173 PolarHBondContact O-N 2.81Å; M170-G173 PolarHBondContact O-N 2.98Å; M170-G173 VanDerWaalsContact O-N 3.14Å; G173-I175 PolarHBondContact O-N 2.7Å; G173-S176 VanDerWaalsContact O-CB 3.32Å; G173-S176 WeakPolarHBondContact O-CB 3.39Å; G173-S176 PolarHBondContact O-N 3.2Å; G173-S176 VanDerWaalsContact O-N 3.13Å; G173-L177 PolarHBondContact O-N 3.05Å
174I96.4Very high96.9Very high103 Ų10340 Ų4053%0.52824%0.242SC..Hα-helixtrans-59.9-28.7-179-170.563.2000112.9E172 S176 L177 M178E172-I174 PolarHBondContact O-N 3.12Å; I174-S176 VanDerWaalsContact C-N 3.28Å; I174-S176 PolarHBondContact O-N 2.8Å; I174-L177 HydrophobicContact CD1-CB 4.19Å; I174-L177 HydrophobicContact CD1-CD2 3.67Å; I174-L177 HydrophobicContact CD1-CG 4.44Å; I174-L177 WeakPolarHBondContact O-CB 3.34Å; I174-L177 PolarHBondContact O-N 2.83Å; I174-L177 VanDerWaalsContact O-N 3.11Å; I174-M178 HydrophobicContact CD1-CE 3.99Å; I174-M178 HydrophobicContact CG1-CE 4.5Å; I174-M178 WeakPolarHBondContact O-CG 3.44Å; I174-M178 PolarHBondContact O-N 3.24Å
175I97.6Very high96.9Very high46 Ų4643.2 Ų43.224%0.23626%0.261CS..Hα-helixtrans-65.5-37.9179.3-59.1168000110.1P88 L89 E172 G173 M178 Q179P88-I175 HydrophobicContact CB-CD1 3.67Å; P88-I175 HydrophobicContact CG-CD1 3.37Å; L89-I175 HydrophobicContact CD2-CD1 4.15Å; L89-I175 HydrophobicContact CG-CD1 4.31Å; E172-I175 HydrophobicContact CB-CB 4.42Å; E172-I175 VanDerWaalsContact O-CB 3.27Å; E172-I175 WeakPolarHBondContact O-CB 3.43Å; E172-I175 PolarHBondContact O-N 3.15Å; G173-I175 PolarHBondContact O-N 2.7Å; I175-M178 PolarHBondContact O-N 3.47Å; I175-Q179 WeakPolarHBondContact O-CG 3.15Å; I175-Q179 PolarHBondContact O-N 2.89Å; I175-Q179 PolarHBondContact O-NE2 3.35Å; I175-Q179 VanDerWaalsContact O-NE2 3.12Å
176S97.2Very high96.9Very high0 Ų043.5 Ų43.50%026%0.263CS..Hα-helixtrans-63.6-41.1172.3-600000112M137 R169 E172 G173 I174 M178 Q179M137-S176 VanDerWaalsContact O-CB 3.27Å; M137-S176 WeakPolarHBondContact O-CB 3.33Å; M137-S176 PolarHBondContact O-OG 2.63Å; R169-S176 WeakPolarHBondContact CB-OG 3.38Å; R169-S176 PolarHBondContact O-OG 2.86Å; E172-S176 WeakPolarHBondContact CB-OG 3.36Å; G173-S176 VanDerWaalsContact O-CB 3.32Å; G173-S176 WeakPolarHBondContact O-CB 3.39Å; G173-S176 PolarHBondContact O-N 3.2Å; G173-S176 VanDerWaalsContact O-N 3.13Å; I174-S176 VanDerWaalsContact C-N 3.28Å; I174-S176 PolarHBondContact O-N 2.8Å; S176-M178 VanDerWaalsContact C-N 3.33Å; S176-M178 PolarHBondContact O-N 2.99Å; S176-Q179 WeakPolarHBondContact O-CB 3.34Å; S176-Q179 PolarHBondContact O-N 3.01Å
177L96.1Very high97.1Very high87 Ų8742 Ų4246%0.45525%0.245SC..Hα-helixtrans-61.2-43.5176.1-179.163.4000111G173 I174 Q179 M180G173-L177 PolarHBondContact O-N 3.05Å; I174-L177 HydrophobicContact CD1-CB 4.19Å; I174-L177 HydrophobicContact CD1-CD2 3.67Å; I174-L177 HydrophobicContact CD1-CG 4.44Å; I174-L177 WeakPolarHBondContact O-CB 3.34Å; I174-L177 PolarHBondContact O-N 2.83Å; I174-L177 VanDerWaalsContact O-N 3.11Å; L177-Q179 PolarHBondContact O-N 3.23Å; L177-M180 HydrophobicContact CD1-SD 3.72Å; L177-M180 WeakPolarHBondContact O-CB 3.49Å; L177-M180 PolarHBondContact O-N 3.41Å
178M97.9Very high97.2Very high106 Ų10647.2 Ų47.252%0.52227%0.267SS..Hα-helixtrans-63.2-23.6179.6-64.8-58.195.900113.1I174 I175 S176 M180 G181 K182I174-M178 HydrophobicContact CD1-CE 3.99Å; I174-M178 HydrophobicContact CG1-CE 4.5Å; I174-M178 WeakPolarHBondContact O-CG 3.44Å; I174-M178 PolarHBondContact O-N 3.24Å; I175-M178 PolarHBondContact O-N 3.47Å; S176-M178 VanDerWaalsContact C-N 3.33Å; S176-M178 PolarHBondContact O-N 2.99Å; M178-M180 VanDerWaalsContact C-N 3.26Å; M178-M180 PolarHBondContact O-N 3.39Å; M178-G181 PolarHBondContact O-N 3.32Å; M178-K182 WeakPolarHBondContact O-CB 3.32Å; M178-K182 PolarHBondContact O-N 3.36Å
179Q97.9Very high97.4Very high15 Ų1551.9 Ų51.97%0.0727%0.273CS..Hα-helixtrans-66.6-27.3174.8-58.5-42.4-59.200112.9M137 I175 S176 L177 K182 T183M137-Q179 HydrophobicContact CE-CB 3.96Å; M137-Q179 HydrophobicContact CG-CB 3.89Å; M137-Q179 HydrophobicContact CG-CG 4.41Å; M137-Q179 HydrophobicContact SD-CB 3.5Å; M137-Q179 WeakPolarHBondContact SD-CB 3.43Å; I175-Q179 WeakPolarHBondContact O-CG 3.15Å; I175-Q179 PolarHBondContact O-N 2.89Å; I175-Q179 PolarHBondContact O-NE2 3.35Å; I175-Q179 VanDerWaalsContact O-NE2 3.12Å; S176-Q179 WeakPolarHBondContact O-CB 3.34Å; S176-Q179 PolarHBondContact O-N 3.01Å; L177-Q179 PolarHBondContact O-N 3.23Å; Q179-K182 PolarHBondContact O-N 3.01Å; Q179-T183 WeakPolarHBondContact O-CB 3.13Å; Q179-T183 WeakPolarHBondContact O-CG2 3.5Å; Q179-T183 PolarHBondContact O-N 3.23Å; Q179-T183 PolarHBondContact O-OG1 3.3Å
180M96.9Very high97.5Very high38 Ų3851.9 Ų51.919%0.18727%0.273CS..Hα-helixtrans-59.7-51.5174.8-65.917860.700110.5M137 L177 M178 T183 S184 G208 A211M137-M180 HydrophobicContact CE-CB 4.31Å; M137-M180 HydrophobicContact CE-CG 3.4Å; M137-M180 VanDerWaalsContact CE-CG 3.4Å; L177-M180 HydrophobicContact CD1-SD 3.72Å; L177-M180 WeakPolarHBondContact O-CB 3.49Å; L177-M180 PolarHBondContact O-N 3.41Å; M178-M180 VanDerWaalsContact C-N 3.26Å; M178-M180 PolarHBondContact O-N 3.39Å; M180-T183 PolarHBondContact O-OG1 3.2Å; M180-S184 WeakPolarHBondContact O-CB 3.44Å; M180-S184 PolarHBondContact O-N 3.11Å; M180-S184 PolarHBondContact O-OG 3.1Å; M180-G208 WeakPolarHBondContact CE-O 3.18Å; M180-A211 HydrophobicContact CE-CB 3.89Å; M180-A211 WeakPolarHBondContact CE-O 3.39Å
181G97Very high97.6Very high42 Ų4248.1 Ų48.143%0.43326%0.26SS..Hα-helixtrans-65.7-45.7178.200000111.9M178 T183 S184 V185M178-G181 PolarHBondContact O-N 3.32Å; G181-T183 PolarHBondContact O-N 2.88Å; G181-S184 PolarHBondContact O-N 2.79Å; G181-V185 WeakPolarHBondContact O-CG2 3.34Å; G181-V185 PolarHBondContact O-N 3.47Å
182K98.4Very high97.6Very high80 Ų8052.8 Ų52.835%0.34829%0.286SS..Hα-helixtrans-57.2-51.9-178.4-169.6-169.3174173.60112.7E143 M178 Q179 S184 V185 S186E143-K182 IonicContact OE2-NZ 3.79Å; E143-K182 PolarHBondContact OE2-NZ 2.81Å; M178-K182 WeakPolarHBondContact O-CB 3.32Å; M178-K182 PolarHBondContact O-N 3.36Å; Q179-K182 PolarHBondContact O-N 3.01Å; K182-S184 PolarHBondContact O-N 3.47Å; K182-V185 PolarHBondContact O-N 3.29Å; K182-S186 PolarHBondContact O-N 2.97Å
183T98.4Very high97.6Very high0 Ų054.3 Ų54.30%030%0.298CS..Hα-helixtrans-65.5-39.1179.652.20000112.1I145 Q179 M180 G181 V185 S186 L187 F213I145-T183 HydrophobicContact CB-CG2 4.12Å; I145-T183 HydrophobicContact CG2-CG2 3.81Å; Q179-T183 WeakPolarHBondContact O-CB 3.13Å; Q179-T183 WeakPolarHBondContact O-CG2 3.5Å; Q179-T183 PolarHBondContact O-N 3.23Å; Q179-T183 PolarHBondContact O-OG1 3.3Å; M180-T183 PolarHBondContact O-OG1 3.2Å; G181-T183 PolarHBondContact O-N 2.88Å; T183-V185 VanDerWaalsContact C-N 3.3Å; T183-V185 PolarHBondContact O-N 2.82Å; T183-S186 PolarHBondContact O-N 3.29Å; T183-L187 WeakPolarHBondContact O-CG 3.39Å; T183-L187 PolarHBondContact O-N 3.43Å; T183-F213 HydrophobicContact CG2-CD1 4.1Å
184S97.5Very high97.7Very high42 Ų4255.8 Ų55.829%0.29431%0.313SS..Hα-helixtrans-63-35.7176.5-56.30000112.3M180 G181 K182 L187 K188M180-S184 WeakPolarHBondContact O-CB 3.44Å; M180-S184 PolarHBondContact O-N 3.11Å; M180-S184 PolarHBondContact O-OG 3.1Å; G181-S184 PolarHBondContact O-N 2.79Å; K182-S184 PolarHBondContact O-N 3.47Å; S184-L187 PolarHBondContact O-N 3.47Å; S184-K188 WeakPolarHBondContact O-CB 3.39Å; S184-K188 PolarHBondContact O-N 2.97Å
185V98.4Very high97.7Very high74 Ų7451.5 Ų51.545%0.44829%0.291SS..Hα-helixtrans-68-42.3175.5170.60000111.6G181 K182 T183 L187 K188 R189G181-V185 WeakPolarHBondContact O-CG2 3.34Å; G181-V185 PolarHBondContact O-N 3.47Å; K182-V185 PolarHBondContact O-N 3.29Å; T183-V185 VanDerWaalsContact C-N 3.3Å; T183-V185 PolarHBondContact O-N 2.82Å; V185-L187 VanDerWaalsContact C-N 3.34Å; V185-K188 PolarHBondContact O-N 2.82Å; V185-R189 WeakPolarHBondContact O-CG 3.37Å; V185-R189 PolarHBondContact O-N 3.14Å
186S98.7Very high97.8Very high6 Ų650.1 Ų50.14%0.04228%0.284CS..Hα-helixtrans-60.9-43.6173-75.60000111.4I149 D150 K182 T183 K188 R189 H190I149-S186 WeakPolarHBondContact CG2-O 3.38Å; D150-S186 WeakPolarHBondContact OD1-CB 3.45Å; D150-S186 PolarHBondContact OD1-OG 3.4Å; K182-S186 PolarHBondContact O-N 2.97Å; T183-S186 PolarHBondContact O-N 3.29Å; S186-K188 VanDerWaalsContact C-N 3.34Å; S186-K188 PolarHBondContact O-N 3.21Å; S186-R189 WeakPolarHBondContact O-CB 3.5Å; S186-R189 PolarHBondContact O-N 2.99Å; S186-H190 PolarHBondContact O-N 3.19Å
187L98.7Very high97.8Very high9 Ų950.4 Ų50.45%0.04729%0.285CS..Hα-helixtrans-62.8-39.2175.4-72.8177000112.7I149 F159 T183 S184 V185 R189 H190 S191 Y197 F213 V216I149-L187 HydrophobicContact CD1-CD2 3.52Å; I149-L187 HydrophobicContact CD1-CG 3.72Å; I149-L187 HydrophobicContact CG1-CD2 3.94Å; I149-L187 HydrophobicContact CG2-CD2 4.29Å; F159-L187 HydrophobicContact CD1-CD2 4.14Å; F159-L187 HydrophobicContact CE1-CD2 4.28Å; T183-L187 WeakPolarHBondContact O-CG 3.39Å; T183-L187 PolarHBondContact O-N 3.43Å; S184-L187 PolarHBondContact O-N 3.47Å; V185-L187 VanDerWaalsContact C-N 3.34Å; L187-R189 VanDerWaalsContact C-N 3.32Å; L187-R189 PolarHBondContact O-N 2.68Å; L187-H190 WeakPolarHBondContact O-CB 3.35Å; L187-H190 PolarHBondContact O-N 3.2Å; L187-S191 WeakPolarHBondContact O-CB 3.35Å; L187-S191 PolarHBondContact O-N 2.81Å; L187-Y197 HydrophobicContact CD1-CD1 3.96Å; L187-Y197 HydrophobicContact CD1-CE1 3.48Å; L187-Y197 VanDerWaalsContact CD1-CE1 3.48Å; L187-Y197 HydrophobicContact CD2-CD1 3.51Å; L187-Y197 HydrophobicContact CD2-CD2 4.14Å; L187-Y197 HydrophobicContact CD2-CE1 3.71Å; L187-Y197 HydrophobicContact CD2-CE2 4.31Å; L187-Y197 HydrophobicContact CD2-CG 3.76Å; L187-Y197 HydrophobicContact CG-CD1 4.27Å; L187-Y197 HydrophobicContact CG-CE1 4.23Å; L187-F213 HydrophobicContact CD1-CB 3.64Å; L187-V216 HydrophobicContact CD1-CG2 3.73Å
188K98.4Very high98Very high114 Ų11446.2 Ų46.250%0.49626%0.263SS..Hα-helixtrans-61.6-41.6175.6-177.457.8168.173.60111.7S184 V185 S186 H190 S191 D192S184-K188 WeakPolarHBondContact O-CB 3.39Å; S184-K188 PolarHBondContact O-N 2.97Å; V185-K188 PolarHBondContact O-N 2.82Å; S186-K188 VanDerWaalsContact C-N 3.34Å; S186-K188 PolarHBondContact O-N 3.21Å; K188-H190 VanDerWaalsContact C-N 3.33Å; K188-S191 PolarHBondContact O-N 3.27Å; K188-D192 IonicContact NZ-OD1 3.08Å; K188-D192 PolarHBondContact NZ-OD1 3.13Å; K188-D192 IonicContact NZ-OD2 2.79Å; K188-D192 PolarHBondContact NZ-OD2 3.4Å; K188-D192 WeakPolarHBondContact O-CB 3.31Å; K188-D192 PolarHBondContact O-N 3.37Å
189R98.7Very high98Very high148 Ų14841.2 Ų41.256%0.55824%0.239SC*.Hα-helixtrans-63.8-39174.6-69.4171.1178.6169-1.6112V185 S186 L187 D192 A193V185-R189 WeakPolarHBondContact O-CG 3.37Å; V185-R189 PolarHBondContact O-N 3.14Å; S186-R189 WeakPolarHBondContact O-CB 3.5Å; S186-R189 PolarHBondContact O-N 2.99Å; L187-R189 VanDerWaalsContact C-N 3.32Å; L187-R189 PolarHBondContact O-N 2.68Å; R189-D192 PolarHBondContact O-N 2.95Å; R189-A193 PolarHBondContact O-N 2.71Å; R189-A193 VanDerWaalsContact O-N 3.08Å
190H98.5Very high98Very high1 Ų140.5 Ų40.51%0.00524%0.235CC..Hα-helixtrans-61.1-49175-165.969000111.8I149 T153 L157 S186 L187 K188 A193 L195 L196I149-H190 HydrophobicContact CG2-CB 3.85Å; T153-H190 WeakPolarHBondContact OG1-CA 3.41Å; T153-H190 WeakPolarHBondContact OG1-CB 3.45Å; T153-H190 PolarHBondContact OG1-ND1 3.44Å; L157-H190 PolarHBondContact O-CE1 2.73Å; S186-H190 PolarHBondContact O-N 3.19Å; L187-H190 WeakPolarHBondContact O-CB 3.35Å; L187-H190 PolarHBondContact O-N 3.2Å; K188-H190 VanDerWaalsContact C-N 3.33Å; H190-A193 WeakPolarHBondContact O-CB 3.49Å; H190-A193 PolarHBondContact O-N 3.11Å; H190-L195 PolarHBondContact CD2-O 2.71Å; H190-L195 WeakPolarHBondContact CE1-CB 3.29Å; H190-L195 VanDerWaalsContact NE2-CB 3.33Å; H190-L195 WeakPolarHBondContact NE2-CB 3.4Å; H190-L195 PolarHBondContact O-N 3.29Å; H190-L196 PolarHBondContact NE2-O 3.37Å
191S97.6Very high98.1Very high55 Ų5538.8 Ų38.839%0.38523%0.227SC..Hα-helixtrans-62.4-42.2176.3-177.10000112L187 K188 A193 G194L187-S191 WeakPolarHBondContact O-CB 3.35Å; L187-S191 PolarHBondContact O-N 2.81Å; K188-S191 PolarHBondContact O-N 3.27Å; S191-A193 PolarHBondContact O-N 3.19Å; S191-G194 WeakPolarHBondContact O-CA 3.22Å; S191-G194 PolarHBondContact O-N 3.04Å
192D98Very high98.2Very high107 Ų10737.2 Ų37.257%0.57221%0.209SC*.Hα-helixtrans-64.1-26.5176.3-74.6-23000113.3K188 R189 G194K188-D192 IonicContact NZ-OD1 3.08Å; K188-D192 PolarHBondContact NZ-OD1 3.13Å; K188-D192 IonicContact NZ-OD2 2.79Å; K188-D192 PolarHBondContact NZ-OD2 3.4Å; K188-D192 WeakPolarHBondContact O-CB 3.31Å; K188-D192 PolarHBondContact O-N 3.37Å; R189-D192 PolarHBondContact O-N 2.95Å; D192-G194 PolarHBondContact O-N 3.08Å
193A97.1Very high98.1Very high32 Ų3237.6 Ų37.626%0.26421%0.212SC..THydrogen-bonded Turntrans-77.5-0.6171.800000113.3T153 R156 R189 H190 S191 L195T153-A193 HydrophobicContact CG2-CB 3.9Å; R156-A193 PolarHBondContact NH1-O 3.09Å; R189-A193 PolarHBondContact O-N 2.71Å; R189-A193 VanDerWaalsContact O-N 3.08Å; H190-A193 WeakPolarHBondContact O-CB 3.49Å; H190-A193 PolarHBondContact O-N 3.11Å; S191-A193 PolarHBondContact O-N 3.19Å; A193-L195 HydrophobicContact CB-CD1 3.9Å; A193-L195 HydrophobicContact CB-CG 4.08Å
194G95.9Very high98.1Very high66 Ų6638.4 Ų38.468%0.6822%0.217SC*.THydrogen-bonded Turntrans75.325.8-179.100000113.7S191 D192S191-G194 WeakPolarHBondContact O-CA 3.22Å; S191-G194 PolarHBondContact O-N 3.04Å; D192-G194 PolarHBondContact O-N 3.08Å
195L97.3Very high98.1Very high14 Ų1436.4 Ų36.47%0.07320%0.203CC..  trans-104.3142.9-173-59.2169.5000111.7T153 R156 H190 A193T153-L195 HydrophobicContact CG2-CD1 4.37Å; R156-L195 HydrophobicContact CB-CD2 3.93Å; H190-L195 PolarHBondContact CD2-O 2.71Å; H190-L195 WeakPolarHBondContact CE1-CB 3.29Å; H190-L195 VanDerWaalsContact NE2-CB 3.33Å; H190-L195 WeakPolarHBondContact NE2-CB 3.4Å; H190-L195 PolarHBondContact O-N 3.29Å; A193-L195 HydrophobicContact CB-CD1 3.9Å; A193-L195 HydrophobicContact CB-CG 4.08Å
196L98.2Very high98Very high16 Ų1634 Ų348%0.08419%0.189CC..  trans-74.6126.1-175.8175.269.8000112.2P158 F159 H190 I198 D218 I219 I276 L277 H280P158-L196 WeakPolarHBondContact CA-O 3.22Å; P158-L196 HydrophobicContact CB-CB 4.19Å; P158-L196 HydrophobicContact CB-CD2 4.43Å; F159-L196 PolarHBondContact N-O 3.06Å; H190-L196 PolarHBondContact NE2-O 3.37Å; L196-I198 HydrophobicContact CD1-CG1 4.25Å; L196-I198 HydrophobicContact CD2-CD1 3.99Å; L196-I198 HydrophobicContact CD2-CG1 3.9Å; L196-I198 HydrophobicContact CG-CG1 3.97Å; L196-D218 HydrophobicContact CD1-CB 4.08Å; L196-I219 HydrophobicContact CD1-CD1 4.2Å; L196-I276 HydrophobicContact CD2-CG2 3.91Å; L196-L277 HydrophobicContact CD2-CD2 4.11Å; L196-H280 HydrophobicContact CB-CB 4.45Å; L196-H280 HydrophobicContact CD2-CB 3.8Å
197Y98.7Very high97.8Very high6 Ų634.4 Ų34.42%0.02419%0.193CC..EExtended strand (participates in β ladder)trans-112.4116.7164.8172.7-138.6000111.9F159 L161 L187 S199 F213 G217 D218 I219F159-Y197 HydrophobicContact CB-CD2 4.42Å; F159-Y197 AromaticContact CD1-CD2 3.37Å; F159-Y197 HydrophobicContact CD1-CD2 3.37Å; F159-Y197 AromaticContact CD1-CE2 3.62Å; F159-Y197 HydrophobicContact CD1-CE2 3.62Å; F159-Y197 HydrophobicContact CD1-CG 4.26Å; F159-Y197 AromaticContact CE1-CD2 3.99Å; F159-Y197 HydrophobicContact CE1-CD2 3.99Å; F159-Y197 AromaticContact CE1-CE2 3.73Å; F159-Y197 HydrophobicContact CE1-CE2 3.73Å; F159-Y197 HydrophobicContact CG-CD2 4.25Å; F159-Y197 WeakPolarHBondContact O-CA 3.42Å; L161-Y197 HydrophobicContact CB-CE2 3.62Å; L187-Y197 HydrophobicContact CD1-CD1 3.96Å; L187-Y197 HydrophobicContact CD1-CE1 3.48Å; L187-Y197 VanDerWaalsContact CD1-CE1 3.48Å; L187-Y197 HydrophobicContact CD2-CD1 3.51Å; L187-Y197 HydrophobicContact CD2-CD2 4.14Å; L187-Y197 HydrophobicContact CD2-CE1 3.71Å; L187-Y197 HydrophobicContact CD2-CE2 4.31Å; L187-Y197 HydrophobicContact CD2-CG 3.76Å; L187-Y197 HydrophobicContact CG-CD1 4.27Å; L187-Y197 HydrophobicContact CG-CE1 4.23Å; Y197-S199 WeakPolarHBondContact OH-CB 3.41Å; Y197-S199 PolarHBondContact OH-OG 3.14Å; Y197-F213 WeakPolarHBondContact CE1-O 3.42Å; Y197-F213 PolarHBondContact OH-O 3.04Å; Y197-G217 VanDerWaalsContact CD1-CA 3.47Å; Y197-D218 PolarHBondContact N-OD2 2.98Å; Y197-D218 PolarHBondContact O-N 3.26Å; Y197-I219 PolarHBondContact O-N 3.04Å
198I98.9Very high97.6Very high0 Ų034.4 Ų34.40%020%0.195CC..EExtended strand (participates in β ladder)trans-98.9118.3171.3-50.7175.6000109.2F159 I160 L161 L196 I219 L221 L273 I276 L277F159-I198 PolarHBondContact O-N 3.2Å; I160-I198 WeakPolarHBondContact CA-O 3.5Å; I160-I198 HydrophobicContact CD1-CD1 4.2Å; I160-I198 HydrophobicContact CG1-CB 4.26Å; I160-I198 HydrophobicContact CG1-CD1 4.13Å; I160-I198 HydrophobicContact CG1-CG1 4.47Å; I160-I198 HydrophobicContact CG2-CB 4.33Å; L161-I198 PolarHBondContact N-O 3.44Å; L196-I198 HydrophobicContact CD1-CG1 4.25Å; L196-I198 HydrophobicContact CD2-CD1 3.99Å; L196-I198 HydrophobicContact CD2-CG1 3.9Å; L196-I198 HydrophobicContact CG-CG1 3.97Å; I198-I219 WeakPolarHBondContact CA-O 3.46Å; I198-L221 HydrophobicContact CG2-CD1 3.81Å; I198-L221 HydrophobicContact CG2-CG 4.14Å; I198-L273 HydrophobicContact CD1-CD2 4.02Å; I198-L273 HydrophobicContact CG2-CD2 4.09Å; I198-I276 HydrophobicContact CD1-CB 4.21Å; I198-I276 HydrophobicContact CD1-CG2 3.53Å; I198-I276 HydrophobicContact CG1-CG2 4.21Å; I198-L277 HydrophobicContact CD1-CD2 4.25Å
199S98.8Very high97.5Very high0 Ų029 Ų290%017%0.172CC..EExtended strand (participates in β ladder)trans-94.3129.6169.4-150.20000110.6Y197 F213 A214 I219 N220 L221Y197-S199 WeakPolarHBondContact OH-CB 3.41Å; Y197-S199 PolarHBondContact OH-OG 3.14Å; S199-F213 PolarHBondContact OG-O 2.71Å; S199-A214 WeakPolarHBondContact OG-CA 3.46Å; S199-A214 PolarHBondContact OG-O 3.13Å; S199-I219 PolarHBondContact N-O 3.29Å; S199-N220 WeakPolarHBondContact CB-OD1 3.18Å; S199-N220 CarbonylContact O-C 3.54Å; S199-N220 WeakPolarHBondContact O-CA 3.19Å; S199-L221 PolarHBondContact O-N 3.4Å
200Y98.8Very high97.4Very high0 Ų022.4 Ų22.40%015%0.149CC..EExtended strand (participates in β ladder)trans-121.9100.4-179.1-151.6-51000109.7L161 F162 S163 T202 L221 E223 V264 M269 L273L161-Y200 WeakPolarHBondContact O-CA 3.29Å; L161-Y200 PolarHBondContact O-N 2.87Å; F162-Y200 CarbonylContact C-O 3.52Å; F162-Y200 VanDerWaalsContact CA-O 3.28Å; F162-Y200 WeakPolarHBondContact CA-O 3.1Å; F162-Y200 AromaticContact CD1-CD1 3.94Å; F162-Y200 HydrophobicContact CD1-CD1 3.94Å; F162-Y200 HydrophobicContact CD1-CD2 4.19Å; F162-Y200 AromaticContact CD1-CG 3.65Å; F162-Y200 HydrophobicContact CD1-CG 3.65Å; F162-Y200 AromaticContact CE1-CD1 3.88Å; F162-Y200 HydrophobicContact CE1-CD1 3.88Å; F162-Y200 AromaticContact CE1-CD2 3.46Å; F162-Y200 HydrophobicContact CE1-CD2 3.46Å; F162-Y200 VanDerWaalsContact CE1-CD2 3.46Å; F162-Y200 HydrophobicContact CE1-CE1 4.36Å; F162-Y200 AromaticContact CE1-CE2 3.96Å; F162-Y200 HydrophobicContact CE1-CE2 3.96Å; F162-Y200 AromaticContact CE1-CG 3.4Å; F162-Y200 HydrophobicContact CE1-CG 3.4Å; F162-Y200 VanDerWaalsContact CE1-CG 3.4Å; F162-Y200 AromaticContact CZ-CD2 3.88Å; F162-Y200 HydrophobicContact CZ-CD2 3.88Å; F162-Y200 HydrophobicContact CZ-CE2 4.45Å; F162-Y200 HydrophobicContact CZ-CG 4.16Å; S163-Y200 PolarHBondContact N-O 3.39Å; Y200-T202 HydrophobicContact CD1-CG2 4.2Å; Y200-L221 CarbonylContact C-O 3.49Å; Y200-L221 WeakPolarHBondContact CA-O 3.36Å; Y200-L221 HydrophobicContact CD1-CB 4.37Å; Y200-L221 HydrophobicContact CD2-CB 3.84Å; Y200-L221 HydrophobicContact CD2-CD1 3.91Å; Y200-L221 HydrophobicContact CE1-CB 4.48Å; Y200-L221 HydrophobicContact CE2-CB 4Å; Y200-L221 HydrophobicContact CE2-CD1 3.94Å; Y200-L221 HydrophobicContact CG-CB 4.05Å; Y200-E223 HydrophobicContact CD1-CG 4.41Å; Y200-E223 HydrophobicContact CE1-CG 3.59Å; Y200-V264 WeakPolarHBondContact OH-CB 2.99Å; Y200-V264 PolarHBondContact OH-O 2.71Å; Y200-M269 HydrophobicContact CE2-CG 3.8Å; Y200-M269 HydrophobicContact CE2-SD 4.41Å; Y200-L273 HydrophobicContact CD2-CD2 4.21Å; Y200-L273 HydrophobicContact CE2-CD2 4.45Å
201L98.6Very high97.3Very high3 Ų324.8 Ų24.82%0.01617%0.169CC..EExtended strand (participates in β ladder)trans-85.4118.6-174.3-59.583.3000110.3T205 A214 N220 L221 S222 E223 I228 L260L201-T205 HydrophobicContact CB-CG2 4.47Å; L201-T205 HydrophobicContact CD2-CG2 4.12Å; L201-T205 HydrophobicContact CG-CG2 4.41Å; L201-A214 VanDerWaalsContact CD1-O 3.26Å; L201-A214 WeakPolarHBondContact CD1-O 3.42Å; L201-A214 HydrophobicContact CD2-CB 4.39Å; L201-A214 WeakPolarHBondContact CD2-O 3.2Å; L201-A214 HydrophobicContact CG-CB 4.46Å; L201-A214 WeakPolarHBondContact CG-O 3.27Å; L201-N220 HydrophobicContact CD1-CB 4.31Å; L201-L221 VanDerWaalsContact CD1-O 3.3Å; L201-L221 WeakPolarHBondContact CD1-O 3.05Å; L201-L221 PolarHBondContact N-O 3.46Å; L201-S222 WeakPolarHBondContact O-CA 3.46Å; L201-S222 WeakPolarHBondContact O-CB 3.33Å; L201-S222 PolarHBondContact O-OG 3.5Å; L201-E223 PolarHBondContact O-N 3.48Å; L201-I228 HydrophobicContact CB-CD1 3.48Å; L201-I228 VanDerWaalsContact CB-CD1 3.48Å; L201-I228 HydrophobicContact CB-CG1 4.06Å; L201-I228 HydrophobicContact CD2-CD1 4.02Å; L201-I228 HydrophobicContact CD2-CG1 4.38Å; L201-I228 HydrophobicContact CD2-CG2 3.55Å; L201-I228 HydrophobicContact CG-CD1 4.37Å; L201-L260 HydrophobicContact CD1-CD2 3.73Å; L201-L260 HydrophobicContact CD2-CD2 4.48Å
202T98.3Very high97.2Very high9 Ų922.3 Ų22.36%0.05515%0.151CC..EExtended strand (participates in β ladder)trans-113.5177.2-179.680.20000111.7F162 S163 A164 Y200 P204 T205 E223F162-T202 HydrophobicContact CD1-CG2 4.11Å; S163-T202 WeakPolarHBondContact O-CA 3.41Å; S163-T202 WeakPolarHBondContact O-CB 3.31Å; S163-T202 PolarHBondContact O-N 3Å; S163-T202 PolarHBondContact O-OG1 2.92Å; A164-T202 WeakPolarHBondContact CB-OG1 3.44Å; Y200-T202 HydrophobicContact CD1-CG2 4.2Å; T202-P204 CarbonylContact O-C 3.33Å; T202-T205 PolarHBondContact N-OG1 3.33Å; T202-T205 PolarHBondContact O-N 3.14Å; T202-T205 PolarHBondContact O-OG1 3.18Å; T202-E223 HydrophobicContact CG2-CG 4.23Å
203H97.1Very high97.2Very high88 Ų8817.2 Ų17.241%0.40712%0.124SC..EExtended strand (participates in β ladder)trans-85.7126.3-175-175.290.5000113.2A226 L227H203-A226 HydrophobicContact CB-CB 4.13Å; H203-L227 WeakPolarHBondContact ND1-CB 3.5Å; H203-L227 PolarHBondContact ND1-N 3.06Å; H203-L227 VanDerWaalsContact ND1-N 3.15Å
204P97Very high97.2Very high16 Ų1615.7 Ų15.710%0.10411%0.111CC..EExtended strand (participates in β ladder)cis-84.3159.5-19.235.4-33.9000111.7M134 A164 S165 T202 T206 L227M134-P204 HydrophobicContact CE-CG 4.07Å; A164-P204 CarbonylContact C-O 3.54Å; A164-P204 VanDerWaalsContact CA-O 3.26Å; A164-P204 WeakPolarHBondContact CA-O 3.29Å; S165-P204 PolarHBondContact N-O 3.23Å; S165-P204 CarbonylContact O-C 3.39Å; S165-P204 VanDerWaalsContact O-O 3.13Å; T202-P204 CarbonylContact O-C 3.33Å; P204-T206 HydrophobicContact CB-CG2 4.33Å; P204-L227 CarbonylContact C-O 3.57Å; P204-L227 WeakPolarHBondContact CA-O 3.43Å; P204-L227 HydrophobicContact CB-CB 4.46Å; P204-L227 HydrophobicContact CB-CD2 4.43Å
205T97.9Very high97.2Very high0 Ų015.2 Ų15.20%010%0.098CC..EExtended strand (participates in β ladder)trans-131.798.2167.8-64.50000109S163 S165 L201 T202 V209 A214 L227 I228 G229S163-T205 PolarHBondContact O-OG1 3.3Å; S163-T205 VanDerWaalsContact O-OG1 3.07Å; S165-T205 WeakPolarHBondContact O-CA 2.93Å; L201-T205 HydrophobicContact CB-CG2 4.47Å; L201-T205 HydrophobicContact CD2-CG2 4.12Å; L201-T205 HydrophobicContact CG-CG2 4.41Å; T202-T205 PolarHBondContact N-OG1 3.33Å; T202-T205 PolarHBondContact O-N 3.14Å; T202-T205 PolarHBondContact O-OG1 3.18Å; T205-V209 HydrophobicContact CG2-CG1 4.26Å; T205-A214 HydrophobicContact CG2-CB 3.78Å; T205-L227 PolarHBondContact N-O 2.92Å; T205-I228 VanDerWaalsContact O-CA 3.29Å; T205-I228 WeakPolarHBondContact O-CA 3.35Å; T205-G229 PolarHBondContact O-N 3.46Å; T205-G229 VanDerWaalsContact O-N 3.1Å
206T96.8Very high97.2Very high25 Ų2518.3 Ų18.315%0.15312%0.117CC..EExtended strand (participates in β ladder)trans-132.5172.8-170.965.60000114.9S165 G166 G167 P204 V209 S210 G229S165-T206 PolarHBondContact O-N 3.48Å; S165-T206 PolarHBondContact O-OG1 3.23Å; G166-T206 WeakPolarHBondContact CA-OG1 3.22Å; G166-T206 PolarHBondContact O-OG1 3.24Å; G167-T206 VanDerWaalsContact CA-O 3.31Å; G167-T206 WeakPolarHBondContact CA-O 3.2Å; P204-T206 HydrophobicContact CB-CG2 4.33Å; T206-V209 PolarHBondContact O-N 3.09Å; T206-S210 PolarHBondContact O-N 3.31Å; T206-G229 WeakPolarHBondContact CA-O 3.33Å; T206-G229 WeakPolarHBondContact CB-O 3.11Å; T206-G229 WeakPolarHBondContact CG2-O 3.49Å
207G95Very high97.1Very high13 Ų1318.2 Ų18.213%0.13412%0.12CC..Hα-helixtrans59-141.5172.300000113.6V209 S210 A211 G229 F230G207-V209 PolarHBondContact O-N 2.92Å; G207-V209 VanDerWaalsContact O-N 3.11Å; G207-S210 PolarHBondContact N-OG 2.89Å; G207-S210 PolarHBondContact O-N 2.83Å; G207-S210 VanDerWaalsContact O-N 3.08Å; G207-S210 PolarHBondContact O-OG 3.49Å; G207-A211 PolarHBondContact O-N 2.92Å; G207-A211 VanDerWaalsContact O-N 3.09Å; G207-G229 PolarHBondContact N-O 3.5Å; G207-F230 VanDerWaalsContact CA-O 3.29Å; G207-F230 WeakPolarHBondContact CA-O 3.34Å; G207-F230 PolarHBondContact N-O 2.94Å
208G93.4Very high97.1Very high9 Ų921.7 Ų21.79%0.09314%0.139CC..Hα-helixtrans-58.2-24.8-177.200000114.8M180 S212M180-G208 WeakPolarHBondContact CE-O 3.18Å; G208-S212 WeakPolarHBondContact O-CB 3.46Å; G208-S212 PolarHBondContact O-N 3.31Å; G208-S212 PolarHBondContact O-OG 2.95Å
209V97.4Very high97.1Very high0 Ų023 Ų230%015%0.146CC..Hα-helixtrans-72.2-48.8174.2170.40000110.8M128 M137 S165 T205 T206 G207 A211 S212 F213 A214M128-V209 HydrophobicContact CE-CG2 4.42Å; M128-V209 HydrophobicContact SD-CG1 4.33Å; M137-V209 HydrophobicContact CB-CG2 3.65Å; S165-V209 WeakPolarHBondContact OG-CG2 3.35Å; T205-V209 HydrophobicContact CG2-CG1 4.26Å; T206-V209 PolarHBondContact O-N 3.09Å; G207-V209 PolarHBondContact O-N 2.92Å; G207-V209 VanDerWaalsContact O-N 3.11Å; V209-A211 PolarHBondContact O-N 3.33Å; V209-S212 PolarHBondContact O-N 2.69Å; V209-S212 PolarHBondContact O-OG 2.77Å; V209-F213 HydrophobicContact CB-CZ 4.32Å; V209-F213 HydrophobicContact CG1-CD2 4.42Å; V209-F213 HydrophobicContact CG1-CE1 4.5Å; V209-F213 HydrophobicContact CG1-CE2 3.57Å; V209-F213 HydrophobicContact CG1-CZ 3.62Å; V209-F213 HydrophobicContact CG2-CE1 4.38Å; V209-F213 HydrophobicContact CG2-CZ 3.95Å; V209-A214 HydrophobicContact CG1-CB 3.93Å; V209-A214 VanDerWaalsContact O-CB 3.24Å; V209-A214 WeakPolarHBondContact O-CB 3.26Å; V209-A214 PolarHBondContact O-N 3.02Å
210S96.6Very high97.1Very high10 Ų1024 Ų247%0.0715%0.151CC..Hα-helixtrans-60.5-26.2174.668.20000113.2T206 G207 S215 G229T206-S210 PolarHBondContact O-N 3.31Å; G207-S210 PolarHBondContact N-OG 2.89Å; G207-S210 PolarHBondContact O-N 2.83Å; G207-S210 VanDerWaalsContact O-N 3.08Å; G207-S210 PolarHBondContact O-OG 3.49Å; S210-S215 VanDerWaalsContact O-CB 3.28Å; S210-S215 WeakPolarHBondContact O-CB 3.42Å; S210-S215 PolarHBondContact O-OG 3.01Å; S210-G229 PolarHBondContact OG-O 3.22Å
211A94.9Very high97.1Very high52 Ų5224.1 Ų24.143%0.4315%0.151SC..THydrogen-bonded Turntrans-94.915.5177.500000113.8M180 G207 V209 F230M180-A211 HydrophobicContact CE-CB 3.89Å; M180-A211 WeakPolarHBondContact CE-O 3.39Å; G207-A211 PolarHBondContact O-N 2.92Å; G207-A211 VanDerWaalsContact O-N 3.09Å; V209-A211 PolarHBondContact O-N 3.33Å; A211-F230 HydrophobicContact CB-CD2 3.84Å; A211-F230 HydrophobicContact CB-CE2 4.06Å
212S96.1Very high97.1Very high2 Ų224 Ų241%0.01415%0.151CC..THydrogen-bonded Turntrans-139.6-123.4178.6600000111.2G208 V209 A214 S215 V216G208-S212 WeakPolarHBondContact O-CB 3.46Å; G208-S212 PolarHBondContact O-N 3.31Å; G208-S212 PolarHBondContact O-OG 2.95Å; V209-S212 PolarHBondContact O-N 2.69Å; V209-S212 PolarHBondContact O-OG 2.77Å; S212-A214 PolarHBondContact O-N 2.81Å; S212-S215 PolarHBondContact O-N 2.94Å; S212-S215 VanDerWaalsContact O-N 3.14Å; S212-V216 WeakPolarHBondContact O-CG2 3.29Å
213F97.6Very high97.1Very high0 Ų023.8 Ų23.80%015%0.149CC..G310 helixtrans-56.9-24.6-172.358.8-108.6000113.6M128 M137 I145 L161 T183 L187 Y197 S199 V209 S215M128-F213 HydrophobicContact CE-CZ 4.32Å; M128-F213 HydrophobicContact SD-CE2 3.77Å; M128-F213 HydrophobicContact SD-CZ 3.74Å; M137-F213 HydrophobicContact SD-CD1 4.2Å; M137-F213 HydrophobicContact SD-CE1 3.49Å; M137-F213 WeakPolarHBondContact SD-CE1 3.49Å; M137-F213 HydrophobicContact SD-CZ 4.46Å; I145-F213 HydrophobicContact CD1-CD1 4.18Å; I145-F213 HydrophobicContact CD1-CE1 3.62Å; I145-F213 HydrophobicContact CD1-CE2 4.04Å; I145-F213 HydrophobicContact CD1-CZ 3.57Å; L161-F213 HydrophobicContact CD1-CB 4.48Å; L161-F213 HydrophobicContact CD1-CD2 3.48Å; L161-F213 VanDerWaalsContact CD1-CD2 3.48Å; L161-F213 HydrophobicContact CD1-CE2 3.88Å; L161-F213 HydrophobicContact CD1-CG 4.12Å; L161-F213 HydrophobicContact CD2-CD2 3.67Å; L161-F213 HydrophobicContact CD2-CE2 3.68Å; L161-F213 HydrophobicContact CG-CD2 4.27Å; L161-F213 HydrophobicContact CG-CE2 4.45Å; T183-F213 HydrophobicContact CG2-CD1 4.1Å; L187-F213 HydrophobicContact CD1-CB 3.64Å; Y197-F213 WeakPolarHBondContact CE1-O 3.42Å; Y197-F213 PolarHBondContact OH-O 3.04Å; S199-F213 PolarHBondContact OG-O 2.71Å; V209-F213 HydrophobicContact CB-CZ 4.32Å; V209-F213 HydrophobicContact CG1-CD2 4.42Å; V209-F213 HydrophobicContact CG1-CE1 4.5Å; V209-F213 HydrophobicContact CG1-CE2 3.57Å; V209-F213 HydrophobicContact CG1-CZ 3.62Å; V209-F213 HydrophobicContact CG2-CE1 4.38Å; V209-F213 HydrophobicContact CG2-CZ 3.95Å; F213-S215 VanDerWaalsContact C-N 3.33Å; F213-S215 PolarHBondContact O-N 2.87Å
214A97.8Very high97.2Very high0 Ų020.8 Ų20.80%014%0.138CC..G310 helixtrans-73.9-18.8-177.500000114.6S163 S199 L201 T205 V209 S212S163-A214 VanDerWaalsContact OG-CB 3.31Å; S163-A214 WeakPolarHBondContact OG-CB 3.33Å; S199-A214 WeakPolarHBondContact OG-CA 3.46Å; S199-A214 PolarHBondContact OG-O 3.13Å; L201-A214 VanDerWaalsContact CD1-O 3.26Å; L201-A214 WeakPolarHBondContact CD1-O 3.42Å; L201-A214 HydrophobicContact CD2-CB 4.39Å; L201-A214 WeakPolarHBondContact CD2-O 3.2Å; L201-A214 HydrophobicContact CG-CB 4.46Å; L201-A214 WeakPolarHBondContact CG-O 3.27Å; T205-A214 HydrophobicContact CG2-CB 3.78Å; V209-A214 HydrophobicContact CG1-CB 3.93Å; V209-A214 VanDerWaalsContact O-CB 3.24Å; V209-A214 WeakPolarHBondContact O-CB 3.26Å; V209-A214 PolarHBondContact O-N 3.02Å; S212-A214 PolarHBondContact O-N 2.81Å
215S96.1Very high97.2Very high56 Ų5624.8 Ų24.839%0.39215%0.153SC..G310 helixtrans-123.211.5-173.2-57.40000113.4S210 S212 F213S210-S215 VanDerWaalsContact O-CB 3.28Å; S210-S215 WeakPolarHBondContact O-CB 3.42Å; S210-S215 PolarHBondContact O-OG 3.01Å; S212-S215 PolarHBondContact O-N 2.94Å; S212-S215 VanDerWaalsContact O-N 3.14Å; F213-S215 VanDerWaalsContact C-N 3.33Å; F213-S215 PolarHBondContact O-N 2.87Å
216V96.2Very high97.2Very high79 Ų7924.8 Ų24.848%0.47915%0.154SC..  trans-119.330.3179.3-59.80000111.2L187 S212L187-V216 HydrophobicContact CD1-CG2 3.73Å; S212-V216 WeakPolarHBondContact O-CG2 3.29Å
217G98.1Very high97.2Very high14 Ų1426.6 Ų26.614%0.14416%0.162CC..  trans-70.1151.3168.600000111.5Y197 N220Y197-G217 VanDerWaalsContact CD1-CA 3.47Å; G217-N220 VanDerWaalsContact CA-OD1 3.24Å; G217-N220 WeakPolarHBondContact CA-OD1 3.23Å; G217-N220 PolarHBondContact N-OD1 3.33Å
218D98.2Very high97.3Very high79 Ų7926.1 Ų26.142%0.42216%0.156SC..SBendtrans-66.3-31.3165.5-56.7-58.5000110L196 Y197L196-D218 HydrophobicContact CD1-CB 4.08Å; Y197-D218 PolarHBondContact N-OD2 2.98Å; Y197-D218 PolarHBondContact O-N 3.26Å
219I98.6Very high97.5Very high29 Ų2926.1 Ų26.115%0.14916%0.156CC..EExtended strand (participates in β ladder)trans-132.9119.9170.1-58172.1000108.6L196 Y197 I198 S199 L221 D261 I276L196-I219 HydrophobicContact CD1-CD1 4.2Å; Y197-I219 PolarHBondContact O-N 3.04Å; I198-I219 WeakPolarHBondContact CA-O 3.46Å; S199-I219 PolarHBondContact N-O 3.29Å; I219-L221 HydrophobicContact CG2-CD2 3.68Å; I219-L221 HydrophobicContact CG2-CG 3.96Å; I219-D261 WeakPolarHBondContact CA-OD2 3.35Å; I219-D261 HydrophobicContact CG2-CB 4.25Å; I219-I276 HydrophobicContact CD1-CD1 4.4Å; I219-I276 HydrophobicContact CD1-CG1 4.41Å; I219-I276 HydrophobicContact CD1-CG2 3.49Å; I219-I276 VanDerWaalsContact CD1-CG2 3.49Å; I219-I276 HydrophobicContact CG2-CD1 4.33Å
220N98.7Very high97.3Very high20 Ų2033.1 Ų33.111%0.10719%0.187CC..EExtended strand (participates in β ladder)trans-102.7106.8177.9-63.4-41.1000110.3S199 L201 G217 L260 D261S199-N220 WeakPolarHBondContact CB-OD1 3.18Å; S199-N220 CarbonylContact O-C 3.54Å; S199-N220 WeakPolarHBondContact O-CA 3.19Å; L201-N220 HydrophobicContact CD1-CB 4.31Å; G217-N220 VanDerWaalsContact CA-OD1 3.24Å; G217-N220 WeakPolarHBondContact CA-OD1 3.23Å; G217-N220 PolarHBondContact N-OD1 3.33Å; N220-L260 HydrophobicContact CB-CD2 4.07Å; N220-D261 PolarHBondContact N-OD2 2.72Å; N220-D261 PolarHBondContact O-N 2.89Å
221L98.8Very high97.1Very high2 Ų234.1 Ų34.11%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-104.2157.2178-55.5-179.8000110.8I198 S199 Y200 L201 I219 K262 V264 T272 L273 I276I198-L221 HydrophobicContact CG2-CD1 3.81Å; I198-L221 HydrophobicContact CG2-CG 4.14Å; S199-L221 PolarHBondContact O-N 3.4Å; Y200-L221 CarbonylContact C-O 3.49Å; Y200-L221 WeakPolarHBondContact CA-O 3.36Å; Y200-L221 HydrophobicContact CD1-CB 4.37Å; Y200-L221 HydrophobicContact CD2-CB 3.84Å; Y200-L221 HydrophobicContact CD2-CD1 3.91Å; Y200-L221 HydrophobicContact CE1-CB 4.48Å; Y200-L221 HydrophobicContact CE2-CB 4Å; Y200-L221 HydrophobicContact CE2-CD1 3.94Å; Y200-L221 HydrophobicContact CG-CB 4.05Å; L201-L221 VanDerWaalsContact CD1-O 3.3Å; L201-L221 WeakPolarHBondContact CD1-O 3.05Å; L201-L221 PolarHBondContact N-O 3.46Å; I219-L221 HydrophobicContact CG2-CD2 3.68Å; I219-L221 HydrophobicContact CG2-CG 3.96Å; L221-K262 WeakPolarHBondContact CA-O 3.04Å; L221-K262 HydrophobicContact CD2-CB 3.82Å; L221-V264 HydrophobicContact CD2-CG2 4.26Å; L221-T272 HydrophobicContact CD1-CG2 4.47Å; L221-L273 HydrophobicContact CD1-CD2 3.85Å; L221-I276 HydrophobicContact CD1-CD1 3.9Å; L221-I276 HydrophobicContact CD2-CD1 4.46Å
222S98.7Very high96.9Very high0 Ų033.8 Ų33.80%020%0.198CC..EExtended strand (participates in β ladder)trans-146.2163.4170.7-169.70000113.4L201 I228 A251 K262 V263 V264L201-S222 WeakPolarHBondContact O-CA 3.46Å; L201-S222 WeakPolarHBondContact O-CB 3.33Å; L201-S222 PolarHBondContact O-OG 3.5Å; S222-I228 VanDerWaalsContact OG-CD1 3.25Å; S222-I228 WeakPolarHBondContact OG-CD1 3.43Å; S222-A251 WeakPolarHBondContact OG-CB 3.43Å; S222-K262 PolarHBondContact N-O 3.4Å; S222-K262 VanDerWaalsContact N-O 3.07Å; S222-V263 CarbonylContact O-C 3.53Å; S222-V263 WeakPolarHBondContact O-CA 3.48Å; S222-V264 PolarHBondContact O-N 3.22Å
223E98Very high96.6Very high5 Ų537.1 Ų37.12%0.02321%0.21CC..  trans-86.3145.2170.2-54.4-164.8113.700111H58 R66 Y200 L201 T202 K225 A226 A251 R266H58-E223 IonicContact ND1-OE1 3.3Å; R66-E223 IonicContact CZ-OE1 2.71Å; R66-E223 IonicContact CZ-OE2 3.82Å; R66-E223 IonicContact NH1-OE1 3.75Å; R66-E223 PolarHBondContact NH1-OE1 3.46Å; R66-E223 IonicContact NH1-OE2 3.65Å; R66-E223 IonicContact NH2-OE1 2.77Å; R66-E223 PolarHBondContact NH2-OE1 3.39Å; R66-E223 IonicContact NH2-OE2 2.89Å; R66-E223 PolarHBondContact NH2-OE2 3.38Å; Y200-E223 HydrophobicContact CD1-CG 4.41Å; Y200-E223 HydrophobicContact CE1-CG 3.59Å; L201-E223 PolarHBondContact O-N 3.48Å; T202-E223 HydrophobicContact CG2-CG 4.23Å; E223-K225 PolarHBondContact O-N 3.03Å; E223-A226 VanDerWaalsContact O-CB 3.29Å; E223-A226 WeakPolarHBondContact O-CB 3.41Å; E223-A226 PolarHBondContact O-N 3.05Å; E223-A226 VanDerWaalsContact O-N 3.08Å; E223-A251 VanDerWaalsContact O-CB 3.28Å; E223-A251 WeakPolarHBondContact O-CB 3.45Å; E223-R266 VanDerWaalsContact CD-NH2 3.31Å; E223-R266 IonicContact OE1-CZ 3.77Å; E223-R266 VanDerWaalsContact OE1-CZ 3.27Å; E223-R266 IonicContact OE1-NE 3.27Å; E223-R266 PolarHBondContact OE1-NE 3.46Å; E223-R266 IonicContact OE1-NH2 3.29Å; E223-R266 PolarHBondContact OE1-NH2 2.84Å; E223-R266 VanDerWaalsContact OE1-NH2 3.08Å; E223-R266 IonicContact OE2-CZ 3.39Å; E223-R266 IonicContact OE2-NE 3.74Å; E223-R266 IonicContact OE2-NH2 2.66Å; E223-R266 PolarHBondContact OE2-NH2 2.8Å
224P98.3Very high96.3Very high26 Ų2646 Ų4617%0.16924%0.244CC..THydrogen-bonded Turntrans-43131.3172.5-32.631.6000113.7H58 A226 E252 V263 V264 H265H58-P224 WeakPolarHBondContact CE1-CD 3.44Å; H58-P224 WeakPolarHBondContact NE2-CG 3.38Å; P224-A226 PolarHBondContact O-N 3Å; P224-A226 VanDerWaalsContact O-N 3.09Å; P224-E252 VanDerWaalsContact CA-OE1 3.3Å; P224-E252 WeakPolarHBondContact CA-OE1 3.49Å; P224-V263 HydrophobicContact CB-CG1 4.25Å; P224-V263 HydrophobicContact CG-CG1 3.83Å; P224-V264 WeakPolarHBondContact CD-O 3.49Å; P224-H265 HydrophobicContact CG-CB 4.44Å
225K97.4Very high95.9Very high99 Ų9950.1 Ų50.143%0.4327%0.268SS..THydrogen-bonded Turntrans57.618.3177.4-52.1-69155.3-152.80115.2E223 E252E223-K225 PolarHBondContact O-N 3.03Å; K225-E252 VanDerWaalsContact CD-OE2 3.27Å; K225-E252 WeakPolarHBondContact CD-OE2 3.27Å; K225-E252 VanDerWaalsContact CE-CD 3.5Å; K225-E252 WeakPolarHBondContact CE-OE2 3.32Å; K225-E252 PolarHBondContact N-OE1 3.23Å; K225-E252 PolarHBondContact N-OE2 3.07Å; K225-E252 IonicContact NZ-OE1 3.39Å; K225-E252 IonicContact NZ-OE2 2.57Å; K225-E252 PolarHBondContact NZ-OE2 3.33Å
226A97.8Very high95.8Very high1 Ų149.1 Ų49.11%0.00826%0.258CS..  trans-61.2143.1171.300000110.5H203 E223 P224 I228 T250 A251H203-A226 HydrophobicContact CB-CB 4.13Å; E223-A226 VanDerWaalsContact O-CB 3.29Å; E223-A226 WeakPolarHBondContact O-CB 3.41Å; E223-A226 PolarHBondContact O-N 3.05Å; E223-A226 VanDerWaalsContact O-N 3.08Å; P224-A226 PolarHBondContact O-N 3Å; P224-A226 VanDerWaalsContact O-N 3.09Å; A226-I228 HydrophobicContact CB-CD1 4.39Å; A226-I228 HydrophobicContact CB-CG1 4.36Å; A226-T250 CarbonylContact O-C 3.52Å; A226-T250 VanDerWaalsContact O-CA 3.26Å; A226-T250 WeakPolarHBondContact O-CA 3.39Å; A226-A251 HydrophobicContact CB-CB 4.31Å; A226-A251 PolarHBondContact O-N 2.79Å
227L97.4Very high95.8Very high63 Ų6347.7 Ų47.733%0.3325%0.246SC..BIsolated β-bridgetrans-90.4115.8176.5175.167.9000107.8H203 P204 T205 Q249H203-L227 WeakPolarHBondContact ND1-CB 3.5Å; H203-L227 PolarHBondContact ND1-N 3.06Å; H203-L227 VanDerWaalsContact ND1-N 3.15Å; P204-L227 CarbonylContact C-O 3.57Å; P204-L227 WeakPolarHBondContact CA-O 3.43Å; P204-L227 HydrophobicContact CB-CB 4.46Å; P204-L227 HydrophobicContact CB-CD2 4.43Å; T205-L227 PolarHBondContact N-O 2.92Å; L227-Q249 HydrophobicContact CD1-CB 3.84Å
228I98.2Very high95.7Very high3 Ų353.1 Ų53.12%0.01527%0.268CS..EExtended strand (participates in β ladder)trans-131.5119.4-177.4-55.3165.6000108.7L201 T205 S222 A226 Q249 A251 L254 L260L201-I228 HydrophobicContact CB-CD1 3.48Å; L201-I228 VanDerWaalsContact CB-CD1 3.48Å; L201-I228 HydrophobicContact CB-CG1 4.06Å; L201-I228 HydrophobicContact CD2-CD1 4.02Å; L201-I228 HydrophobicContact CD2-CG1 4.38Å; L201-I228 HydrophobicContact CD2-CG2 3.55Å; L201-I228 HydrophobicContact CG-CD1 4.37Å; T205-I228 VanDerWaalsContact O-CA 3.29Å; T205-I228 WeakPolarHBondContact O-CA 3.35Å; S222-I228 VanDerWaalsContact OG-CD1 3.25Å; S222-I228 WeakPolarHBondContact OG-CD1 3.43Å; A226-I228 HydrophobicContact CB-CD1 4.39Å; A226-I228 HydrophobicContact CB-CG1 4.36Å; I228-Q249 PolarHBondContact N-O 3.45Å; I228-Q249 WeakPolarHBondContact O-CB 3.23Å; I228-Q249 WeakPolarHBondContact O-CG 3.38Å; I228-Q249 VanDerWaalsContact O-O 3.13Å; I228-A251 HydrophobicContact CD1-CB 4.43Å; I228-L254 HydrophobicContact CB-CD1 4.2Å; I228-L254 HydrophobicContact CB-CD2 3.64Å; I228-L254 HydrophobicContact CD1-CD2 4.24Å; I228-L254 HydrophobicContact CG2-CD2 3.41Å; I228-L254 VanDerWaalsContact CG2-CD2 3.41Å; I228-L254 WeakPolarHBondContact O-CD1 3.4Å; I228-L260 HydrophobicContact CD1-CD1 4.14Å
229G96.2Very high95.5Very high9 Ų954.8 Ų54.89%0.09328%0.281CS..EExtended strand (participates in β ladder)trans179.5149.4-179.600000114.7T205 T206 G207 S210T205-G229 PolarHBondContact O-N 3.46Å; T205-G229 VanDerWaalsContact O-N 3.1Å; T206-G229 WeakPolarHBondContact CA-O 3.33Å; T206-G229 WeakPolarHBondContact CB-O 3.11Å; T206-G229 WeakPolarHBondContact CG2-O 3.49Å; G207-G229 PolarHBondContact N-O 3.5Å; S210-G229 PolarHBondContact OG-O 3.22Å
230F94Very high95.3Very high146 Ų14657 Ų5764%0.6429%0.293SS*.SBendtrans-68.3-61-177.4177.7-110.4000112.4G207 A211G207-F230 VanDerWaalsContact CA-O 3.29Å; G207-F230 WeakPolarHBondContact CA-O 3.34Å; G207-F230 PolarHBondContact N-O 2.94Å; A211-F230 HydrophobicContact CB-CD2 3.84Å; A211-F230 HydrophobicContact CB-CE2 4.06Å
231A92.5Very high95.1Very high32 Ų3263.1 Ų63.126%0.26433%0.325SS..SBendtrans-100144.4178.600000110.8I236 Q249A231-I236 HydrophobicContact CB-CD1 4.01Å; A231-I236 HydrophobicContact CB-CG1 3.89Å; A231-I236 WeakPolarHBondContact O-CD1 3.19Å; A231-Q249 PolarHBondContact O-NE2 2.75Å; A231-Q249 PolarHBondContact O-OE1 3.44Å
232G89.5Confident94.9Very high45 Ų4569.6 Ų69.646%0.46436%0.356SS..  trans-65.7140.2176.900000111.5R234 V235 I236G232-R234 VanDerWaalsContact C-N 3.25Å; G232-R234 PolarHBondContact O-N 3.42Å; G232-R234 VanDerWaalsContact O-N 3.09Å; G232-V235 WeakPolarHBondContact O-CB 3.26Å; G232-V235 PolarHBondContact O-N 3.48Å; G232-I236 PolarHBondContact O-N 3.49Å
233R91.4Very high94.7Very high72 Ų7277.2 Ų77.227%0.27239%0.389SS..Hα-helixtrans-38.9-50.8177.7174.8169.7-173.513510.1114.1V235 I236 E237 L244 P245R233-V235 VanDerWaalsContact C-N 3.31Å; R233-V235 PolarHBondContact O-N 2.84Å; R233-I236 PolarHBondContact O-N 3.39Å; R233-I236 VanDerWaalsContact O-N 3.14Å; R233-E237 HydrophobicContact CG-CG 4.22Å; R233-E237 IonicContact CZ-OE1 3.79Å; R233-E237 IonicContact NE-OE1 3.13Å; R233-E237 PolarHBondContact NE-OE1 3.39Å; R233-E237 IonicContact NE-OE2 3.89Å; R233-E237 IonicContact NH2-OE1 3.34Å; R233-E237 PolarHBondContact NH2-OE1 2.9Å; R233-E237 WeakPolarHBondContact O-CG 3.34Å; R233-E237 PolarHBondContact O-N 3.44Å; R233-L244 HydrophobicContact CG-CD1 4.15Å; R233-L244 PolarHBondContact NH2-O 2.76Å; R233-P245 PolarHBondContact NH1-O 3.43Å; R233-P245 PolarHBondContact NH2-O 2.89Å
234R89.6Confident94.5Very high186 Ų18677.8 Ų77.870%0.70239%0.392SS*.Hα-helixtrans-55.8-42.7179.9178.7179.3173.6173.91.8112.9G232 I236 Q238G232-R234 VanDerWaalsContact C-N 3.25Å; G232-R234 PolarHBondContact O-N 3.42Å; G232-R234 VanDerWaalsContact O-N 3.09Å; R234-I236 VanDerWaalsContact C-N 3.33Å; R234-Q238 WeakPolarHBondContact O-CB 3.23Å; R234-Q238 VanDerWaalsContact O-CG 3.23Å; R234-Q238 WeakPolarHBondContact O-CG 3.45Å; R234-Q238 PolarHBondContact O-N 2.76Å; R234-Q238 VanDerWaalsContact O-N 3.11Å; R234-Q238 PolarHBondContact O-OE1 2.78Å
235V91.3Very high94.3Very high86 Ų8679.7 Ų79.752%0.52140%0.404SS..Hα-helixtrans-67.3-39.7-178.9179.20000110.3G232 R233 T239G232-V235 WeakPolarHBondContact O-CB 3.26Å; G232-V235 PolarHBondContact O-N 3.48Å; R233-V235 VanDerWaalsContact C-N 3.31Å; R233-V235 PolarHBondContact O-N 2.84Å; V235-T239 PolarHBondContact O-N 3.5Å; V235-T239 PolarHBondContact O-OG1 3.2Å
236I94.1Very high94Very high35 Ų3581.2 Ų81.218%0.17942%0.417CS..Hα-helixtrans-66.9-53.1178.8-61.6166.8000110.1A231 G232 R233 R234 Q238 T239 I240 L244 F248A231-I236 HydrophobicContact CB-CD1 4.01Å; A231-I236 HydrophobicContact CB-CG1 3.89Å; A231-I236 WeakPolarHBondContact O-CD1 3.19Å; G232-I236 PolarHBondContact O-N 3.49Å; R233-I236 PolarHBondContact O-N 3.39Å; R233-I236 VanDerWaalsContact O-N 3.14Å; R234-I236 VanDerWaalsContact C-N 3.33Å; I236-Q238 PolarHBondContact O-N 3.08Å; I236-T239 WeakPolarHBondContact O-CB 3.35Å; I236-T239 PolarHBondContact O-N 2.99Å; I236-I240 HydrophobicContact CG2-CD1 4.2Å; I236-I240 WeakPolarHBondContact O-CG1 3.39Å; I236-I240 PolarHBondContact O-N 2.81Å; I236-L244 HydrophobicContact CB-CD1 3.88Å; I236-L244 HydrophobicContact CG2-CD1 3.63Å; I236-L244 HydrophobicContact CG2-CD2 4.22Å; I236-L244 HydrophobicContact CG2-CG 4.41Å; I236-F248 HydrophobicContact CD1-CE1 3.65Å; I236-F248 HydrophobicContact CD1-CZ 3.87Å
237E95.3Very high93.9Very high49 Ų4984.2 Ų84.223%0.22943%0.433CS..Hα-helixtrans-55.3-38.9178.9-70.8178.2154.900111.9R233 T239 N241 E242 L244R233-E237 HydrophobicContact CG-CG 4.22Å; R233-E237 IonicContact CZ-OE1 3.79Å; R233-E237 IonicContact NE-OE1 3.13Å; R233-E237 PolarHBondContact NE-OE1 3.39Å; R233-E237 IonicContact NE-OE2 3.89Å; R233-E237 IonicContact NH2-OE1 3.34Å; R233-E237 PolarHBondContact NH2-OE1 2.9Å; R233-E237 WeakPolarHBondContact O-CG 3.34Å; R233-E237 PolarHBondContact O-N 3.44Å; E237-T239 VanDerWaalsContact C-N 3.35Å; E237-T239 PolarHBondContact O-N 3.18Å; E237-N241 WeakPolarHBondContact O-CA 3.38Å; E237-N241 PolarHBondContact O-N 2.69Å; E237-E242 WeakPolarHBondContact CA-O 3.38Å; E237-E242 WeakPolarHBondContact CB-O 3.49Å; E237-E242 WeakPolarHBondContact CG-O 3.1Å; E237-E242 PolarHBondContact O-N 3.45Å; E237-L244 HydrophobicContact CG-CB 4.22Å; E237-L244 HydrophobicContact CG-CD1 3.75Å; E237-L244 HydrophobicContact CG-CG 3.68Å; E237-L244 PolarHBondContact OE1-N 3.26Å; E237-L244 VanDerWaalsContact OE1-N 3.12Å
238Q95.5Very high93.8Very high128 Ų12883 Ų8360%0.59843%0.425SS*.Hα-helixtrans-68.8-30.4175.7-73.1-178.7-63.900113.8R234 I236R234-Q238 WeakPolarHBondContact O-CB 3.23Å; R234-Q238 VanDerWaalsContact O-CG 3.23Å; R234-Q238 WeakPolarHBondContact O-CG 3.45Å; R234-Q238 PolarHBondContact O-N 2.76Å; R234-Q238 VanDerWaalsContact O-N 3.11Å; R234-Q238 PolarHBondContact O-OE1 2.78Å; I236-Q238 PolarHBondContact O-N 3.08Å
239T95.3Very high93.7Very high114 Ų11483.8 Ų83.870%0.69943%0.429SS*.Hα-helixtrans-79.6-41.9-178.4-56.20000111.2V235 I236 E237V235-T239 PolarHBondContact O-N 3.5Å; V235-T239 PolarHBondContact O-OG1 3.2Å; I236-T239 WeakPolarHBondContact O-CB 3.35Å; I236-T239 PolarHBondContact O-N 2.99Å; E237-T239 VanDerWaalsContact C-N 3.35Å; E237-T239 PolarHBondContact O-N 3.18Å
240I94.4Very high93.8Very high77 Ų7784.3 Ų84.340%0.39543%0.43SS..Hα-helixtrans-88.7-13.8-179.569.8178.6000113I236 E242 L244I236-I240 HydrophobicContact CG2-CD1 4.2Å; I236-I240 WeakPolarHBondContact O-CG1 3.39Å; I236-I240 PolarHBondContact O-N 2.81Å; I240-E242 VanDerWaalsContact C-N 3.27Å; I240-E242 HydrophobicContact CD1-CB 4.01Å; I240-E242 HydrophobicContact CG1-CB 3.96Å; I240-E242 PolarHBondContact O-N 3.1Å; I240-L244 HydrophobicContact CD1-CD2 3.7Å; I240-L244 HydrophobicContact CD1-CG 4.41Å
241N94Very high94Very high148 Ų14877.3 Ų77.379%0.79140%0.399SS*.THydrogen-bonded Turntrans56.736.2-175.6-164.349.5000114E237E237-N241 WeakPolarHBondContact O-CA 3.38Å; E237-N241 PolarHBondContact O-N 2.69Å
242E94.3Very high94.3Very high138 Ų13878.3 Ų78.365%0.64540%0.398SS*.SBendtrans-135.5154.9179.6-65.2-177.2-178.900110.6E237 I240E237-E242 WeakPolarHBondContact CA-O 3.38Å; E237-E242 WeakPolarHBondContact CB-O 3.49Å; E237-E242 WeakPolarHBondContact CG-O 3.1Å; E237-E242 PolarHBondContact O-N 3.45Å; I240-E242 VanDerWaalsContact C-N 3.27Å; I240-E242 HydrophobicContact CD1-CB 4.01Å; I240-E242 HydrophobicContact CG1-CB 3.96Å; I240-E242 PolarHBondContact O-N 3.1Å
243K93.6Very high94.7Very high159 Ų15978 Ų7869%0.69138%0.384SS*.PPolyproline II helixtrans-81.5128.2173.4-171.5-171.9172-161.20109.1D246K243-D246 IonicContact NZ-OD1 2.99Å; K243-D246 PolarHBondContact NZ-OD1 3.18Å
244L94.1Very high95Very high18 Ų1875 Ų759%0.09437%0.374CS..PPolyproline II helixtrans-76.3158.6175.6-67.2170.9000111.5R233 I236 E237 I240 F248R233-L244 HydrophobicContact CG-CD1 4.15Å; R233-L244 PolarHBondContact NH2-O 2.76Å; I236-L244 HydrophobicContact CB-CD1 3.88Å; I236-L244 HydrophobicContact CG2-CD1 3.63Å; I236-L244 HydrophobicContact CG2-CD2 4.22Å; I236-L244 HydrophobicContact CG2-CG 4.41Å; E237-L244 HydrophobicContact CG-CB 4.22Å; E237-L244 HydrophobicContact CG-CD1 3.75Å; E237-L244 HydrophobicContact CG-CG 3.68Å; E237-L244 PolarHBondContact OE1-N 3.26Å; E237-L244 VanDerWaalsContact OE1-N 3.12Å; I240-L244 HydrophobicContact CD1-CD2 3.7Å; I240-L244 HydrophobicContact CD1-CG 4.41Å; L244-F248 HydrophobicContact CB-CB 4Å; L244-F248 HydrophobicContact CB-CD1 4.2Å; L244-F248 HydrophobicContact CB-CD2 4.45Å; L244-F248 HydrophobicContact CB-CG 3.96Å; L244-F248 HydrophobicContact CD1-CD1 3.43Å; L244-F248 VanDerWaalsContact CD1-CD1 3.43Å; L244-F248 HydrophobicContact CD1-CD2 4.41Å; L244-F248 HydrophobicContact CD1-CE1 3.4Å; L244-F248 HydrophobicContact CD1-CE2 4.39Å; L244-F248 HydrophobicContact CD1-CG 3.96Å; L244-F248 HydrophobicContact CD1-CZ 3.91Å; L244-F248 HydrophobicContact CD2-CD2 4.19Å; L244-F248 HydrophobicContact CD2-CE2 4.16Å; L244-F248 HydrophobicContact CD2-CG 4.42Å; L244-F248 HydrophobicContact CD2-CZ 4.36Å; L244-F248 HydrophobicContact CG-CD1 4.27Å; L244-F248 HydrophobicContact CG-CE1 4.47Å; L244-F248 HydrophobicContact CG-CG 4.32Å
245P93.9Very high95.4Very high65 Ų6569.4 Ų69.442%0.42236%0.357SS..PPolyproline II helixtrans-52151.1169.8-26.635000112.4R233 D247 F248R233-P245 PolarHBondContact NH1-O 3.43Å; R233-P245 PolarHBondContact NH2-O 2.89Å; P245-D247 VanDerWaalsContact CB-OD1 3.23Å; P245-D247 WeakPolarHBondContact CB-OD1 3.46Å; P245-D247 PolarHBondContact O-N 2.97Å; P245-F248 HydrophobicContact CB-CB 4.37Å; P245-F248 VanDerWaalsContact O-CB 3.23Å; P245-F248 WeakPolarHBondContact O-CB 3.34Å; P245-F248 PolarHBondContact O-N 3.06Å
246D92.4Very high95.7Very high131 Ų13172.5 Ų72.570%0.70137%0.366SS*.THydrogen-bonded Turntrans-67.2-27.1-178-72.8-16.2000112.1K243K243-D246 IonicContact NZ-OD1 2.99Å; K243-D246 PolarHBondContact NZ-OD1 3.18Å
247D94.5Very high95.9Very high64 Ų6476.1 Ų76.134%0.34238%0.382SS..THydrogen-bonded Turntrans-94.54.8176.868.4-30000113.8P245 Q249 T250 F253P245-D247 VanDerWaalsContact CB-OD1 3.23Å; P245-D247 WeakPolarHBondContact CB-OD1 3.46Å; P245-D247 PolarHBondContact O-N 2.97Å; D247-Q249 PolarHBondContact O-N 3.11Å; D247-T250 HydrophobicContact CB-CG2 4.43Å; D247-T250 VanDerWaalsContact O-CB 3.25Å; D247-T250 WeakPolarHBondContact O-CB 3.34Å; D247-T250 VanDerWaalsContact O-CG2 3.23Å; D247-T250 WeakPolarHBondContact O-CG2 3.39Å; D247-T250 PolarHBondContact O-N 3.16Å; D247-T250 PolarHBondContact O-OG1 3.11Å; D247-F253 VanDerWaalsContact O-CB 3.25Å; D247-F253 WeakPolarHBondContact O-CB 3.21Å
248F95.7Very high96Very high39 Ų3977 Ų7717%0.17140%0.404CS..THydrogen-bonded Turntrans-51.6135178-177.7-102.5000111.6I236 L244 P245 T250 F253I236-F248 HydrophobicContact CD1-CE1 3.65Å; I236-F248 HydrophobicContact CD1-CZ 3.87Å; L244-F248 HydrophobicContact CB-CB 4Å; L244-F248 HydrophobicContact CB-CD1 4.2Å; L244-F248 HydrophobicContact CB-CD2 4.45Å; L244-F248 HydrophobicContact CB-CG 3.96Å; L244-F248 HydrophobicContact CD1-CD1 3.43Å; L244-F248 VanDerWaalsContact CD1-CD1 3.43Å; L244-F248 HydrophobicContact CD1-CD2 4.41Å; L244-F248 HydrophobicContact CD1-CE1 3.4Å; L244-F248 HydrophobicContact CD1-CE2 4.39Å; L244-F248 HydrophobicContact CD1-CG 3.96Å; L244-F248 HydrophobicContact CD1-CZ 3.91Å; L244-F248 HydrophobicContact CD2-CD2 4.19Å; L244-F248 HydrophobicContact CD2-CE2 4.16Å; L244-F248 HydrophobicContact CD2-CG 4.42Å; L244-F248 HydrophobicContact CD2-CZ 4.36Å; L244-F248 HydrophobicContact CG-CD1 4.27Å; L244-F248 HydrophobicContact CG-CE1 4.47Å; L244-F248 HydrophobicContact CG-CG 4.32Å; P245-F248 HydrophobicContact CB-CB 4.37Å; P245-F248 VanDerWaalsContact O-CB 3.23Å; P245-F248 WeakPolarHBondContact O-CB 3.34Å; P245-F248 PolarHBondContact O-N 3.06Å; F248-T250 PolarHBondContact O-N 3.1Å; F248-F253 HydrophobicContact CD2-CE1 4.1Å; F248-F253 HydrophobicContact CD2-CE2 4.18Å; F248-F253 AromaticContact CD2-CZ 3.8Å; F248-F253 HydrophobicContact CD2-CZ 3.8Å; F248-F253 HydrophobicContact CE2-CE1 4.27Å; F248-F253 HydrophobicContact CE2-CZ 4.15Å
249Q96.6Very high96.1Very high18 Ų1876.7 Ų76.78%0.08440%0.403CS..THydrogen-bonded Turntrans60.714.8-176.4-75.1175.6-11.200115L227 I228 A231 D247L227-Q249 HydrophobicContact CD1-CB 3.84Å; I228-Q249 PolarHBondContact N-O 3.45Å; I228-Q249 WeakPolarHBondContact O-CB 3.23Å; I228-Q249 WeakPolarHBondContact O-CG 3.38Å; I228-Q249 VanDerWaalsContact O-O 3.13Å; A231-Q249 PolarHBondContact O-NE2 2.75Å; A231-Q249 PolarHBondContact O-OE1 3.44Å; D247-Q249 PolarHBondContact O-N 3.11Å
250T97.7Very high96.2Very high20 Ų2071.6 Ų71.612%0.12337%0.371CS..BIsolated β-bridgetrans-78156.8168.363.10000111.3A226 D247 F248 E252 F253 L254A226-T250 CarbonylContact O-C 3.52Å; A226-T250 VanDerWaalsContact O-CA 3.26Å; A226-T250 WeakPolarHBondContact O-CA 3.39Å; D247-T250 HydrophobicContact CB-CG2 4.43Å; D247-T250 VanDerWaalsContact O-CB 3.25Å; D247-T250 WeakPolarHBondContact O-CB 3.34Å; D247-T250 VanDerWaalsContact O-CG2 3.23Å; D247-T250 WeakPolarHBondContact O-CG2 3.39Å; D247-T250 PolarHBondContact O-N 3.16Å; D247-T250 PolarHBondContact O-OG1 3.11Å; F248-T250 PolarHBondContact O-N 3.1Å; T250-E252 PolarHBondContact O-N 3.48Å; T250-F253 WeakPolarHBondContact O-CA 3.32Å; T250-F253 WeakPolarHBondContact O-CB 3.2Å; T250-F253 PolarHBondContact O-N 3.22Å; T250-F253 PolarHBondContact OG1-N 3.2Å; T250-L254 WeakPolarHBondContact O-CD1 3.27Å; T250-L254 PolarHBondContact O-N 3.44Å
251A98.3Very high96.4Very high0 Ų072.7 Ų72.70%038%0.378CS..Hα-helixtrans-51.2-39.6174.300000112.9S222 E223 A226 I228 L254 L255 L260 V263S222-A251 WeakPolarHBondContact OG-CB 3.43Å; E223-A251 VanDerWaalsContact O-CB 3.28Å; E223-A251 WeakPolarHBondContact O-CB 3.45Å; A226-A251 HydrophobicContact CB-CB 4.31Å; A226-A251 PolarHBondContact O-N 2.79Å; I228-A251 HydrophobicContact CD1-CB 4.43Å; A251-L254 PolarHBondContact O-N 3.33Å; A251-L255 WeakPolarHBondContact O-CB 3.46Å; A251-L255 PolarHBondContact O-N 2.66Å; A251-L260 HydrophobicContact CB-CD1 4.12Å; A251-L260 VanDerWaalsContact O-CD1 3.3Å; A251-L260 WeakPolarHBondContact O-CD1 3.35Å; A251-V263 HydrophobicContact CB-CG1 4.46Å; A251-V263 HydrophobicContact CB-CG2 3.9Å
252E98.3Very high96.6Very high52 Ų5270.5 Ų70.524%0.24336%0.361CS..Hα-helixtrans-68.7-39.4177.3-61.379.9-172.900112.2P224 K225 T250 L254 L255 E256P224-E252 VanDerWaalsContact CA-OE1 3.3Å; P224-E252 WeakPolarHBondContact CA-OE1 3.49Å; K225-E252 VanDerWaalsContact CD-OE2 3.27Å; K225-E252 WeakPolarHBondContact CD-OE2 3.27Å; K225-E252 VanDerWaalsContact CE-CD 3.5Å; K225-E252 WeakPolarHBondContact CE-OE2 3.32Å; K225-E252 PolarHBondContact N-OE1 3.23Å; K225-E252 PolarHBondContact N-OE2 3.07Å; K225-E252 IonicContact NZ-OE1 3.39Å; K225-E252 IonicContact NZ-OE2 2.57Å; K225-E252 PolarHBondContact NZ-OE2 3.33Å; T250-E252 PolarHBondContact O-N 3.48Å; E252-L254 VanDerWaalsContact C-N 3.33Å; E252-L254 PolarHBondContact O-N 3Å; E252-L255 PolarHBondContact O-N 3.08Å; E252-E256 PolarHBondContact O-N 2.87Å
253F97.9Very high96.8Very high39 Ų3965.5 Ų65.517%0.17134%0.34CS..Hα-helixtrans-60-44.1173.5-178.1-83.8000111.1D247 F248 T250 E256 H257D247-F253 VanDerWaalsContact O-CB 3.25Å; D247-F253 WeakPolarHBondContact O-CB 3.21Å; F248-F253 HydrophobicContact CD2-CE1 4.1Å; F248-F253 HydrophobicContact CD2-CE2 4.18Å; F248-F253 AromaticContact CD2-CZ 3.8Å; F248-F253 HydrophobicContact CD2-CZ 3.8Å; F248-F253 HydrophobicContact CE2-CE1 4.27Å; F248-F253 HydrophobicContact CE2-CZ 4.15Å; T250-F253 WeakPolarHBondContact O-CA 3.32Å; T250-F253 WeakPolarHBondContact O-CB 3.2Å; T250-F253 PolarHBondContact O-N 3.22Å; T250-F253 PolarHBondContact OG1-N 3.2Å; F253-E256 PolarHBondContact O-N 3.45Å; F253-H257 AromaticContact CD1-ND1 3.89Å; F253-H257 AromaticContact CD2-CE1 3.93Å; F253-H257 AromaticContact CE1-CE1 3.77Å; F253-H257 AromaticContact CE1-ND1 3.78Å; F253-H257 AromaticContact CE2-CE1 3.52Å; F253-H257 AromaticContact CZ-CE1 3.42Å; F253-H257 VanDerWaalsContact CZ-CE1 3.42Å; F253-H257 WeakPolarHBondContact CZ-CE1 3.48Å; F253-H257 AromaticContact CZ-ND1 3.92Å; F253-H257 AromaticContact CZ-NE2 3.77Å; F253-H257 PolarHBondContact O-N 3.19Å; F253-H257 PolarHBondContact O-ND1 3.37Å
254L98.1Very high97.1Very high8 Ų858.1 Ų58.14%0.04231%0.308CS..Hα-helixtrans-65.9-38178-87.979.4000112.9I228 T250 A251 E252 H257 G258 Q259 L260I228-L254 HydrophobicContact CB-CD1 4.2Å; I228-L254 HydrophobicContact CB-CD2 3.64Å; I228-L254 HydrophobicContact CD1-CD2 4.24Å; I228-L254 HydrophobicContact CG2-CD2 3.41Å; I228-L254 VanDerWaalsContact CG2-CD2 3.41Å; I228-L254 WeakPolarHBondContact O-CD1 3.4Å; T250-L254 WeakPolarHBondContact O-CD1 3.27Å; T250-L254 PolarHBondContact O-N 3.44Å; A251-L254 PolarHBondContact O-N 3.33Å; E252-L254 VanDerWaalsContact C-N 3.33Å; E252-L254 PolarHBondContact O-N 3Å; L254-H257 CarbonylContact O-C 3.59Å; L254-H257 PolarHBondContact O-N 3.22Å; L254-G258 PolarHBondContact O-N 2.98Å; L254-Q259 HydrophobicContact CB-CB 4.09Å; L254-Q259 HydrophobicContact CD2-CB 4.14Å; L254-Q259 HydrophobicContact CG-CB 4.18Å; L254-Q259 PolarHBondContact O-N 3.12Å; L254-L260 HydrophobicContact CB-CD1 3.71Å; L254-L260 HydrophobicContact CB-CG 3.94Å; L254-L260 HydrophobicContact CD2-CG 4.5Å
255L98.5Very high97.3Very high69 Ų6959 Ų5936%0.36131%0.312SS..Hα-helixtrans-61.5-45.6175.1176.963.6000111.2A251 E252 H257 G258 L260 V263A251-L255 WeakPolarHBondContact O-CB 3.46Å; A251-L255 PolarHBondContact O-N 2.66Å; E252-L255 PolarHBondContact O-N 3.08Å; L255-H257 PolarHBondContact O-N 3.34Å; L255-G258 PolarHBondContact O-N 2.56Å; L255-G258 VanDerWaalsContact O-N 3.13Å; L255-L260 HydrophobicContact CB-CB 4.37Å; L255-L260 HydrophobicContact CD1-CB 4.46Å; L255-L260 WeakPolarHBondContact CD1-O 3.37Å; L255-V263 HydrophobicContact CB-CG2 4.13Å; L255-V263 HydrophobicContact CD2-CB 4.44Å; L255-V263 HydrophobicContact CD2-CG2 3.97Å
256E98.1Very high97.5Very high151 Ų15156 Ų5671%0.70629%0.292SS*.Hα-helixtrans-60.7-29.8177.3-172.8176.9-177.900112.5E252 F253E252-E256 PolarHBondContact O-N 2.87Å; F253-E256 PolarHBondContact O-N 3.45Å
257H97.4Very high97.7Very high111 Ų11153.5 Ų53.551%0.51428%0.279SS..THydrogen-bonded Turntrans-97.213.2179.8-64.376.2000113.7F253 L254 L255 Q259F253-H257 AromaticContact CD1-ND1 3.89Å; F253-H257 AromaticContact CD2-CE1 3.93Å; F253-H257 AromaticContact CE1-CE1 3.77Å; F253-H257 AromaticContact CE1-ND1 3.78Å; F253-H257 AromaticContact CE2-CE1 3.52Å; F253-H257 AromaticContact CZ-CE1 3.42Å; F253-H257 VanDerWaalsContact CZ-CE1 3.42Å; F253-H257 WeakPolarHBondContact CZ-CE1 3.48Å; F253-H257 AromaticContact CZ-ND1 3.92Å; F253-H257 AromaticContact CZ-NE2 3.77Å; F253-H257 PolarHBondContact O-N 3.19Å; F253-H257 PolarHBondContact O-ND1 3.37Å; L254-H257 CarbonylContact O-C 3.59Å; L254-H257 PolarHBondContact O-N 3.22Å; L255-H257 PolarHBondContact O-N 3.34Å; H257-Q259 VanDerWaalsContact C-N 3.34Å; H257-Q259 PolarHBondContact O-N 3.48Å
258G97Very high97.8Very high67 Ų6754.2 Ų54.269%0.69128%0.282SS*.THydrogen-bonded Turntrans71.321.5173.200000115.3L254 L255L254-G258 PolarHBondContact O-N 2.98Å; L255-G258 PolarHBondContact O-N 2.56Å; L255-G258 VanDerWaalsContact O-N 3.13Å
259Q97.2Very high98Very high123 Ų12352.3 Ų52.358%0.57527%0.274SS*.SBendtrans-93.9-13176.6-64.1-170.9-19.300113.4L254 H257L254-Q259 HydrophobicContact CB-CB 4.09Å; L254-Q259 HydrophobicContact CD2-CB 4.14Å; L254-Q259 HydrophobicContact CG-CB 4.18Å; L254-Q259 PolarHBondContact O-N 3.12Å; H257-Q259 VanDerWaalsContact C-N 3.34Å; H257-Q259 PolarHBondContact O-N 3.48Å
260L98.6Very high98.1Very high6 Ų655.4 Ų55.43%0.03129%0.285CS..  trans-129.6148.2175.3-67171.6000109L201 N220 I228 A251 L254 L255 V263L201-L260 HydrophobicContact CD1-CD2 3.73Å; L201-L260 HydrophobicContact CD2-CD2 4.48Å; N220-L260 HydrophobicContact CB-CD2 4.07Å; I228-L260 HydrophobicContact CD1-CD1 4.14Å; A251-L260 HydrophobicContact CB-CD1 4.12Å; A251-L260 VanDerWaalsContact O-CD1 3.3Å; A251-L260 WeakPolarHBondContact O-CD1 3.35Å; L254-L260 HydrophobicContact CB-CD1 3.71Å; L254-L260 HydrophobicContact CB-CG 3.94Å; L254-L260 HydrophobicContact CD2-CG 4.5Å; L255-L260 HydrophobicContact CB-CB 4.37Å; L255-L260 HydrophobicContact CD1-CB 4.46Å; L255-L260 WeakPolarHBondContact CD1-O 3.37Å; L260-V263 HydrophobicContact CD1-CG2 4.46Å
261D98.6Very high98.1Very high100 Ų10059.9 Ų59.954%0.53531%0.305SS..SBendtrans-88-31.6176.7-59-67.7000111.7I219 N220I219-D261 WeakPolarHBondContact CA-OD2 3.35Å; I219-D261 HydrophobicContact CG2-CB 4.25Å; N220-D261 PolarHBondContact N-OD2 2.72Å; N220-D261 PolarHBondContact O-N 2.89Å
262K98.6Very high98.1Very high103 Ų10360.4 Ų60.445%0.44831%0.308SS..EExtended strand (participates in β ladder)trans-159.9138.5178.5-163.1172.6-179.3177.60112.8L221 S222 V264L221-K262 WeakPolarHBondContact CA-O 3.04Å; L221-K262 HydrophobicContact CD2-CB 3.82Å; S222-K262 PolarHBondContact N-O 3.4Å; S222-K262 VanDerWaalsContact N-O 3.07Å; K262-V264 HydrophobicContact CB-CG2 4.07Å; K262-V264 HydrophobicContact CD-CG2 3.9Å; K262-V264 HydrophobicContact CG-CG2 3.76Å
263V98.7Very high98.1Very high33 Ų3358 Ų5820%0.230%0.296CS..EExtended strand (participates in β ladder)trans-92121.1163.4178.50000108.4S222 P224 A251 L255 L260S222-V263 CarbonylContact O-C 3.53Å; S222-V263 WeakPolarHBondContact O-CA 3.48Å; P224-V263 HydrophobicContact CB-CG1 4.25Å; P224-V263 HydrophobicContact CG-CG1 3.83Å; A251-V263 HydrophobicContact CB-CG1 4.46Å; A251-V263 HydrophobicContact CB-CG2 3.9Å; L255-V263 HydrophobicContact CB-CG2 4.13Å; L255-V263 HydrophobicContact CD2-CB 4.44Å; L255-V263 HydrophobicContact CD2-CG2 3.97Å; L260-V263 HydrophobicContact CD1-CG2 4.46Å
264V98.8Very high98.2Very high3 Ų356.2 Ų56.22%0.01829%0.289CS..  trans-118.8116.6-169.1179.90000109.4Y200 L221 S222 P224 K262 D268 T272Y200-V264 WeakPolarHBondContact OH-CB 2.99Å; Y200-V264 PolarHBondContact OH-O 2.71Å; L221-V264 HydrophobicContact CD2-CG2 4.26Å; S222-V264 PolarHBondContact O-N 3.22Å; P224-V264 WeakPolarHBondContact CD-O 3.49Å; K262-V264 HydrophobicContact CB-CG2 4.07Å; K262-V264 HydrophobicContact CD-CG2 3.9Å; K262-V264 HydrophobicContact CG-CG2 3.76Å; V264-D268 HydrophobicContact CG1-CB 4.31Å; V264-T272 HydrophobicContact CG1-CG2 4.38Å; V264-T272 HydrophobicContact CG2-CG2 4Å
265H98.5Very high98.2Very high36 Ų3660 Ų6017%0.16731%0.306CS..  trans-62143.9173-177.2-89.8000109.9D56 H58 P224 N267 D268 M269D56-H265 IonicContact OD1-NE2 3.26Å; D56-H265 PolarHBondContact OD1-NE2 2.8Å; D56-H265 IonicContact OD2-CD2 3.54Å; D56-H265 IonicContact OD2-NE2 3.63Å; H58-H265 AromaticContact NE2-CD2 3.29Å; H58-H265 PolarHBondContact NE2-CD2 2.74Å; H58-H265 VanDerWaalsContact NE2-CD2 3.29Å; H58-H265 AromaticContact NE2-NE2 3.67Å; P224-H265 HydrophobicContact CG-CB 4.44Å; H265-N267 PolarHBondContact CE1-ND2 3.02Å; H265-N267 PolarHBondContact ND1-N 3.2Å; H265-N267 PolarHBondContact O-N 3.13Å; H265-D268 CarbonylContact O-C 3.43Å; H265-D268 WeakPolarHBondContact O-CA 3.26Å; H265-D268 PolarHBondContact O-N 3.31Å; H265-M269 PolarHBondContact O-N 2.94Å
266R97.3Very high98.2Very high2 Ų257.7 Ų57.71%0.00830%0.295CS..Hα-helixtrans-68.6-27.1-164.6-169.9179.2-74.7165.7-2.8112.4L49 N50 V51 H58 I59 E223 D268 M269L49-R266 HydrophobicContact CB-CG 3.92Å; L49-R266 HydrophobicContact CD1-CG 4.13Å; L49-R266 WeakPolarHBondContact CD1-O 2.98Å; L49-R266 WeakPolarHBondContact O-CD 3.41Å; L49-R266 PolarHBondContact O-NH1 2.7Å; N50-R266 PolarHBondContact O-NH1 2.92Å; V51-R266 HydrophobicContact CG2-CB 3.76Å; V51-R266 HydrophobicContact CG2-CG 4.49Å; H58-R266 PolarHBondContact CE1-N 2.83Å; I59-R266 PolarHBondContact O-NH1 2.74Å; I59-R266 PolarHBondContact O-NH2 3.06Å; I59-R266 VanDerWaalsContact O-NH2 3.16Å; E223-R266 VanDerWaalsContact CD-NH2 3.31Å; E223-R266 IonicContact OE1-CZ 3.77Å; E223-R266 VanDerWaalsContact OE1-CZ 3.27Å; E223-R266 IonicContact OE1-NE 3.27Å; E223-R266 PolarHBondContact OE1-NE 3.46Å; E223-R266 IonicContact OE1-NH2 3.29Å; E223-R266 PolarHBondContact OE1-NH2 2.84Å; E223-R266 VanDerWaalsContact OE1-NH2 3.08Å; E223-R266 IonicContact OE2-CZ 3.39Å; E223-R266 IonicContact OE2-NE 3.74Å; E223-R266 IonicContact OE2-NH2 2.66Å; E223-R266 PolarHBondContact OE2-NH2 2.8Å; R266-D268 PolarHBondContact O-N 3.17Å; R266-M269 HydrophobicContact CG-CE 4.06Å; R266-M269 HydrophobicContact CG-SD 4.46Å; R266-M269 WeakPolarHBondContact O-CB 3.5Å; R266-M269 PolarHBondContact O-N 3.14Å
267N96.7Very high98.1Very high79 Ų7950.8 Ų50.842%0.42226%0.262SS..Hα-helixtrans-69.5-19.8173-67.9-16.2000112.9N48 H265N48-N267 PolarHBondContact OD1-ND2 2.88Å; H265-N267 PolarHBondContact CE1-ND2 3.02Å; H265-N267 PolarHBondContact ND1-N 3.2Å; H265-N267 PolarHBondContact O-N 3.13Å
268D98.4Very high98Very high79 Ų7950.5 Ų50.542%0.42226%0.259SS..Hα-helixtrans-101.1-2.8177.7-50.4-37.8000111.9V264 H265 R266 Q271 T272V264-D268 HydrophobicContact CG1-CB 4.31Å; H265-D268 CarbonylContact O-C 3.43Å; H265-D268 WeakPolarHBondContact O-CA 3.26Å; H265-D268 PolarHBondContact O-N 3.31Å; R266-D268 PolarHBondContact O-N 3.17Å; D268-Q271 PolarHBondContact O-N 3.4Å; D268-T272 VanDerWaalsContact O-CB 3.31Å; D268-T272 WeakPolarHBondContact O-CB 3.3Å; D268-T272 PolarHBondContact O-N 3.41Å; D268-T272 PolarHBondContact O-OG1 3.14Å
269M98.3Very high97.9Very high0 Ų053.8 Ų53.80%026%0.26CS..Hα-helixtrans-58.5-54.5-176177.2-1786000112R66 A69 I70 F162 Y200 H265 R266 Q271 T272 L273R66-M269 PolarHBondContact NH1-SD 3.11Å; R66-M269 VanDerWaalsContact NH1-SD 3.36Å; A69-M269 HydrophobicContact CB-CE 3.98Å; I70-M269 HydrophobicContact CG2-CE 3.48Å; I70-M269 VanDerWaalsContact CG2-CE 3.48Å; I70-M269 HydrophobicContact CG2-CG 4.09Å; I70-M269 HydrophobicContact CG2-SD 3.93Å; F162-M269 HydrophobicContact CE1-SD 3.67Å; F162-M269 HydrophobicContact CZ-SD 4.06Å; Y200-M269 HydrophobicContact CE2-CG 3.8Å; Y200-M269 HydrophobicContact CE2-SD 4.41Å; H265-M269 PolarHBondContact O-N 2.94Å; R266-M269 HydrophobicContact CG-CE 4.06Å; R266-M269 HydrophobicContact CG-SD 4.46Å; R266-M269 WeakPolarHBondContact O-CB 3.5Å; R266-M269 PolarHBondContact O-N 3.14Å; M269-Q271 VanDerWaalsContact C-N 3.33Å; M269-Q271 PolarHBondContact O-N 3.47Å; M269-T272 PolarHBondContact O-N 3.26Å; M269-L273 HydrophobicContact CG-CD1 4.01Å; M269-L273 WeakPolarHBondContact O-CB 3.45Å; M269-L273 VanDerWaalsContact O-CG 3.31Å; M269-L273 WeakPolarHBondContact O-CG 3.29Å; M269-L273 PolarHBondContact O-N 3.39Å
270R98.3Very high97.7Very high82 Ų8252.6 Ų52.631%0.30925%0.254SS..Hα-helixtrans-61.2-42.9-178.2-174.1-178.7-179.6-71.7-0.6111.4D72 L118 D119 S274D72-R270 IonicContact OD1-CZ 3.96Å; D72-R270 IonicContact OD1-NH2 2.79Å; D72-R270 PolarHBondContact OD1-NH2 2.98Å; L118-R270 HydrophobicContact CD1-CG 3.6Å; L118-R270 VanDerWaalsContact CD1-CZ 3.4Å; D119-R270 IonicContact OD1-CZ 3.23Å; D119-R270 VanDerWaalsContact OD1-CZ 3.23Å; D119-R270 IonicContact OD1-NH1 2.8Å; D119-R270 PolarHBondContact OD1-NH1 3.39Å; D119-R270 IonicContact OD1-NH2 2.74Å; D119-R270 PolarHBondContact OD1-NH2 3.49Å; R270-S274 WeakPolarHBondContact O-CB 3.39Å; R270-S274 PolarHBondContact O-N 2.64Å
271Q98.5Very high96.9Very high115 Ų11557.3 Ų57.354%0.53728%0.276SS..Hα-helixtrans-64.1-48.9178179.2178.8-10.600111.2D268 M269 L273 S274 E275D268-Q271 PolarHBondContact O-N 3.4Å; M269-Q271 VanDerWaalsContact C-N 3.33Å; M269-Q271 PolarHBondContact O-N 3.47Å; Q271-L273 VanDerWaalsContact C-N 3.33Å; Q271-L273 PolarHBondContact O-N 2.98Å; Q271-S274 WeakPolarHBondContact O-CB 3.32Å; Q271-S274 PolarHBondContact O-N 2.89Å; Q271-S274 VanDerWaalsContact O-N 3.16Å; Q271-E275 HydrophobicContact CG-CG 4.42Å; Q271-E275 WeakPolarHBondContact CG-OE1 3.32Å; Q271-E275 PolarHBondContact NE2-OE1 2.99Å; Q271-E275 WeakPolarHBondContact O-CG 3.36Å; Q271-E275 PolarHBondContact O-N 3.11Å
272T98.8Very high95.7Very high11 Ų1158.4 Ų58.47%0.06728%0.278CS..Hα-helixtrans-59.5-44.9-179.6-59.30000111.2L221 V264 D268 M269 E275 I276L221-T272 HydrophobicContact CD1-CG2 4.47Å; V264-T272 HydrophobicContact CG1-CG2 4.38Å; V264-T272 HydrophobicContact CG2-CG2 4Å; D268-T272 VanDerWaalsContact O-CB 3.31Å; D268-T272 WeakPolarHBondContact O-CB 3.3Å; D268-T272 PolarHBondContact O-N 3.41Å; D268-T272 PolarHBondContact O-OG1 3.14Å; M269-T272 PolarHBondContact O-N 3.26Å; T272-E275 PolarHBondContact O-N 3.23Å; T272-I276 HydrophobicContact CG2-CD1 3.91Å; T272-I276 VanDerWaalsContact O-CG1 3.27Å; T272-I276 WeakPolarHBondContact O-CG1 3.29Å; T272-I276 PolarHBondContact O-N 3.24Å
273L98.8Very high93.8Very high0 Ų059.6 Ų59.60%029%0.293CS..Hα-helixtrans-64-42.2176.8-68.3173.3000111.7I70 L118 I160 F162 I198 Y200 L221 M269 Q271 E275 I276 L277I70-L273 HydrophobicContact CB-CD1 4.44Å; I70-L273 HydrophobicContact CG2-CD1 3.92Å; L118-L273 HydrophobicContact CD2-CB 3.76Å; I160-L273 HydrophobicContact CD1-CD2 4.22Å; I160-L273 HydrophobicContact CG2-CD2 4.42Å; F162-L273 HydrophobicContact CZ-CD1 3.85Å; I198-L273 HydrophobicContact CD1-CD2 4.02Å; I198-L273 HydrophobicContact CG2-CD2 4.09Å; Y200-L273 HydrophobicContact CD2-CD2 4.21Å; Y200-L273 HydrophobicContact CE2-CD2 4.45Å; L221-L273 HydrophobicContact CD1-CD2 3.85Å; M269-L273 HydrophobicContact CG-CD1 4.01Å; M269-L273 WeakPolarHBondContact O-CB 3.45Å; M269-L273 VanDerWaalsContact O-CG 3.31Å; M269-L273 WeakPolarHBondContact O-CG 3.29Å; M269-L273 PolarHBondContact O-N 3.39Å; Q271-L273 VanDerWaalsContact C-N 3.33Å; Q271-L273 PolarHBondContact O-N 2.98Å; L273-E275 PolarHBondContact O-N 3.19Å; L273-I276 PolarHBondContact O-N 2.63Å; L273-L277 WeakPolarHBondContact O-CB 3.42Å; L273-L277 VanDerWaalsContact O-CG 3.3Å; L273-L277 WeakPolarHBondContact O-CG 3.46Å; L273-L277 PolarHBondContact O-N 3.37Å
274S98.5Very high91.8Very high3 Ų364.5 Ų64.52%0.02132%0.324CS..Hα-helixtrans-61.3-44.7177.2175.80000111.9D119 R270 Q271 L277 K278D119-S274 WeakPolarHBondContact OD2-CB 3.27Å; D119-S274 PolarHBondContact OD2-OG 3.14Å; R270-S274 WeakPolarHBondContact O-CB 3.39Å; R270-S274 PolarHBondContact O-N 2.64Å; Q271-S274 WeakPolarHBondContact O-CB 3.32Å; Q271-S274 PolarHBondContact O-N 2.89Å; Q271-S274 VanDerWaalsContact O-N 3.16Å; S274-L277 PolarHBondContact O-N 2.96Å; S274-K278 WeakPolarHBondContact O-CB 3.45Å; S274-K278 VanDerWaalsContact O-CG 3.28Å; S274-K278 WeakPolarHBondContact O-CG 3.31Å; S274-K278 PolarHBondContact O-N 3.08Å; S274-K278 VanDerWaalsContact OG-CE 3.31Å; S274-K278 WeakPolarHBondContact OG-CE 3.33Å; S274-K278 PolarHBondContact OG-NZ 3.22Å
275E98.3Very high89Confident86 Ų8676.8 Ų76.840%0.40238%0.377SS..Hα-helixtrans-61.3-46177.1-72.8171.1-176.800111.6Q271 T272 L273 K278 I279Q271-E275 HydrophobicContact CG-CG 4.42Å; Q271-E275 WeakPolarHBondContact CG-OE1 3.32Å; Q271-E275 PolarHBondContact NE2-OE1 2.99Å; Q271-E275 WeakPolarHBondContact O-CG 3.36Å; Q271-E275 PolarHBondContact O-N 3.11Å; T272-E275 PolarHBondContact O-N 3.23Å; L273-E275 PolarHBondContact O-N 3.19Å; E275-K278 PolarHBondContact O-N 3.49Å; E275-I279 WeakPolarHBondContact O-CD1 3.36Å; E275-I279 VanDerWaalsContact O-CG1 3.28Å; E275-I279 WeakPolarHBondContact O-CG1 3.36Å; E275-I279 PolarHBondContact O-N 3.48Å; E275-I279 VanDerWaalsContact O-N 3.07Å
276I98.3Very high88.6Confident22 Ų2278.8 Ų78.811%0.11339%0.387CS..Hα-helixtrans-60.4-49.3176.8-68.2165.8000110.5L196 I198 I219 L221 T272 L273 K278 I279 H280L196-I276 HydrophobicContact CD2-CG2 3.91Å; I198-I276 HydrophobicContact CD1-CB 4.21Å; I198-I276 HydrophobicContact CD1-CG2 3.53Å; I198-I276 HydrophobicContact CG1-CG2 4.21Å; I219-I276 HydrophobicContact CD1-CD1 4.4Å; I219-I276 HydrophobicContact CD1-CG1 4.41Å; I219-I276 HydrophobicContact CD1-CG2 3.49Å; I219-I276 VanDerWaalsContact CD1-CG2 3.49Å; I219-I276 HydrophobicContact CG2-CD1 4.33Å; L221-I276 HydrophobicContact CD1-CD1 3.9Å; L221-I276 HydrophobicContact CD2-CD1 4.46Å; T272-I276 HydrophobicContact CG2-CD1 3.91Å; T272-I276 VanDerWaalsContact O-CG1 3.27Å; T272-I276 WeakPolarHBondContact O-CG1 3.29Å; T272-I276 PolarHBondContact O-N 3.24Å; L273-I276 PolarHBondContact O-N 2.63Å; I276-K278 VanDerWaalsContact C-N 3.31Å; I276-K278 PolarHBondContact O-N 2.86Å; I276-I279 PolarHBondContact O-N 3.43Å; I276-H280 PolarHBondContact O-N 3.04Å; I276-H280 PolarHBondContact O-ND1 2.87Å
277L97.3Very high88.1Confident5 Ų582.8 Ų82.83%0.02641%0.407CS..Hα-helixtrans-60-41.5179.4-70.8-174.8000111.8L118 M121 F123 P158 I160 L196 I198 L273 S274 I279 H280 Q281L118-L277 HydrophobicContact CB-CD1 4.31Å; L118-L277 HydrophobicContact CD2-CD1 4.1Å; L118-L277 HydrophobicContact CG-CD1 4.48Å; M121-L277 HydrophobicContact CE-CB 3.66Å; M121-L277 HydrophobicContact CE-CD1 4.24Å; M121-L277 HydrophobicContact SD-CB 3.67Å; F123-L277 HydrophobicContact CB-CD1 4.39Å; F123-L277 HydrophobicContact CD1-CD1 4.4Å; F123-L277 HydrophobicContact CG-CD1 4.43Å; P158-L277 HydrophobicContact CB-CD2 3.7Å; P158-L277 HydrophobicContact CG-CD2 3.67Å; I160-L277 HydrophobicContact CD1-CD1 4.32Å; I160-L277 HydrophobicContact CD1-CD2 4.43Å; L196-L277 HydrophobicContact CD2-CD2 4.11Å; I198-L277 HydrophobicContact CD1-CD2 4.25Å; L273-L277 WeakPolarHBondContact O-CB 3.42Å; L273-L277 VanDerWaalsContact O-CG 3.3Å; L273-L277 WeakPolarHBondContact O-CG 3.46Å; L273-L277 PolarHBondContact O-N 3.37Å; S274-L277 PolarHBondContact O-N 2.96Å; L277-I279 PolarHBondContact O-N 3.21Å; L277-H280 CarbonylContact O-C 3.53Å; L277-H280 PolarHBondContact O-N 3.33Å; L277-Q281 WeakPolarHBondContact O-CG 3.31Å; L277-Q281 PolarHBondContact O-N 3.06Å; L277-Q281 VanDerWaalsContact O-N 3.09Å
278K95.6Very high87.6Confident105 Ų10583.1 Ų83.146%0.45741%0.406SS..Hα-helixtrans-61.8-41.3177.7-77168.3-175.91570112.5D119 M121 S274 E275 I276 H280 Q281D119-K278 IonicContact OD2-NZ 2.93Å; D119-K278 PolarHBondContact OD2-NZ 3.38Å; M121-K278 HydrophobicContact CE-CD 4.44Å; M121-K278 HydrophobicContact CE-CG 3.78Å; M121-K278 HydrophobicContact SD-CB 4.46Å; M121-K278 HydrophobicContact SD-CG 3.65Å; S274-K278 WeakPolarHBondContact O-CB 3.45Å; S274-K278 VanDerWaalsContact O-CG 3.28Å; S274-K278 WeakPolarHBondContact O-CG 3.31Å; S274-K278 PolarHBondContact O-N 3.08Å; S274-K278 VanDerWaalsContact OG-CE 3.31Å; S274-K278 WeakPolarHBondContact OG-CE 3.33Å; S274-K278 PolarHBondContact OG-NZ 3.22Å; E275-K278 PolarHBondContact O-N 3.49Å; I276-K278 VanDerWaalsContact C-N 3.31Å; I276-K278 PolarHBondContact O-N 2.86Å; K278-H280 VanDerWaalsContact C-N 3.26Å; K278-H280 PolarHBondContact O-N 3.21Å; K278-Q281 PolarHBondContact O-N 3.25Å
279I94.4Very high87Confident136 Ų13683.3 Ų83.370%0.69741%0.406SS*.Hα-helixtrans-66.5-31.2179.3-67.5163.7000111.4E275 I276 L277E275-I279 WeakPolarHBondContact O-CD1 3.36Å; E275-I279 VanDerWaalsContact O-CG1 3.28Å; E275-I279 WeakPolarHBondContact O-CG1 3.36Å; E275-I279 PolarHBondContact O-N 3.48Å; E275-I279 VanDerWaalsContact O-N 3.07Å; I276-I279 PolarHBondContact O-N 3.43Å; L277-I279 PolarHBondContact O-N 3.21Å
280H93Very high86.3Confident98 Ų9888.5 Ų88.545%0.45443%0.431SS..THydrogen-bonded Turntrans-101.312.4-177-62.481.5000113.5L196 I276 L277 K278 E282L196-H280 HydrophobicContact CB-CB 4.45Å; L196-H280 HydrophobicContact CD2-CB 3.8Å; I276-H280 PolarHBondContact O-N 3.04Å; I276-H280 PolarHBondContact O-ND1 2.87Å; L277-H280 CarbonylContact O-C 3.53Å; L277-H280 PolarHBondContact O-N 3.33Å; K278-H280 VanDerWaalsContact C-N 3.26Å; K278-H280 PolarHBondContact O-N 3.21Å; H280-E282 PolarHBondContact O-N 3.07Å
281Q81.6Confident85.5Confident105 Ų10588.9 Ų88.949%0.49144%0.439SS..SBendtrans-64.1136.9169.7-74.7-173.36.800109.6M121 L277 K278 V283M121-Q281 HydrophobicContact SD-CG 4.23Å; M121-Q281 PolarHBondContact SD-NE2 3.31Å; L277-Q281 WeakPolarHBondContact O-CG 3.31Å; L277-Q281 PolarHBondContact O-N 3.06Å; L277-Q281 VanDerWaalsContact O-N 3.09Å; K278-Q281 PolarHBondContact O-N 3.25Å; Q281-V283 PolarHBondContact O-N 3.11Å; Q281-V283 VanDerWaalsContact O-N 3.13Å
282E72.3Confident84.6Confident123 Ų12387.1 Ų87.158%0.57543%0.432SS*.  trans-59.2120.3165.4-73.8-172.4171.300108.5R156 H280 T284R156-E282 IonicContact CZ-OE1 3.73Å; R156-E282 IonicContact NE-OE1 2.72Å; R156-E282 PolarHBondContact NE-OE1 3.41Å; R156-E282 IonicContact NH2-OE1 2.66Å; R156-E282 PolarHBondContact NH2-OE1 2.84Å; H280-E282 PolarHBondContact O-N 3.07Å; E282-T284 PolarHBondContact O-N 3.2Å
283V58.6Low83.5Confident128 Ų12892.9 Ų92.978%0.77646%0.46SS*.  trans-72.697.5170-178.40000106.6Q281 K285Q281-V283 PolarHBondContact O-N 3.11Å; Q281-V283 VanDerWaalsContact O-N 3.13Å; V283-K285 PolarHBondContact O-N 3.17Å
284T58.3Low82.2Confident136 Ų136100.7 Ų100.783%0.83450%0.498SS*.  trans-59.9105.1165.8-34.50000106.9E282E282-T284 PolarHBondContact O-N 3.2Å
285K39.9Very low80.7Confident261 Ų261109.5 Ų109.5100%1.13554%0.542SS*.  trans-740170.4-84-173.6177.1177.90110.8V283V283-K285 PolarHBondContact O-N 3.17Å

Retrieved 285 of 285 residues in 514.6 ms (Link to these results)

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