A0A087WRL5_MOUSE Loading...

TBC1 domain family, member 2B

AlphaFold DB , UniProt , Accession A0A087WRL5, Species MOUSE (Mus musculus, Mouse), Gene Tbc1d2b, Length 228 aa.

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

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
1M39.2Very low40.3Very low239 Ų239126.1 Ų126.1100%1.17780%0.802SS**  01320-75.7-103.116100106.9
2P44.4Very low39.7Very low132 Ų132124.7 Ų124.786%0.85780%0.797SS**  cis-107.1176.3-3.117.27.2000110.1
3G38.3Very low39.5Very low68 Ų68124.5 Ų124.570%0.70180%0.801SS**  cis127.1115.522.600000107.1
4A47Very low38.8Very low111 Ų111121.6 Ų121.692%0.91781%0.805SS**  94110.4108.800000111
5G38.9Very low38.4Very low76 Ų76118.9 Ų118.978%0.78481%0.808SS**  129.4146.594.900000105
6D37.4Very low38.1Very low150 Ų150124.1 Ų124.180%0.80282%0.817SS**  cis-162.8137.636.7-151.4-123.8000104.4
7G36.5Very low37.8Very low63 Ų63121.3 Ų121.365%0.64982%0.815SS**  68.9111.577.100000109.2
8V48.4Very low37.6Very low109 Ų109120.4 Ų120.466%0.66182%0.818SS**  162.7103.3100148.20000104.6
9E40.1Very low38.1Very low159 Ų159121.3 Ų121.374%0.74382%0.819SS**  61.7137.5114.584.4-149.163.200114.9
10E35.3Very low38.5Very low184 Ų184121.6 Ų121.686%0.8682%0.819SS**  -166.7162.255-170.6172.788.700110.3
11S38Very low38.1Very low96 Ų96118.6 Ų118.667%0.67181%0.809SS**  trans-94168.7-168.9179.70000114.1
12C33.2Very low38.1Very low109 Ų109114.5 Ų114.574%0.73680%0.797SS**  trans113.1118.3141.8-650000119
13S37Very low37.5Very low123 Ų123111.6 Ų111.686%0.8679%0.791SS**  trans78.8115.1132.7-70.60000120.9
14G29.8Very low37.4Very low83 Ų83113.4 Ų113.486%0.85679%0.793SS**  117.3131.7115.800000116.3
15G32.3Very low37.1Very low82 Ų82116.6 Ų116.685%0.84579%0.789SS**  trans117.999.8144.300000116.7
16E33.8Very low37.1Very low202 Ų202117.8 Ų117.894%0.94479%0.791SS**  trans-24.6144.8153.3-84.7158.868.900117.8
17G33.8Very low36.9Very low76 Ų76113.8 Ų113.878%0.78479%0.785SS**  110.2134.2123.800000117.8
18A34.3Very low36.9Very low105 Ų105115.1 Ų115.187%0.86879%0.79SS**  trans93.792.9158.600000118.7
19V45.7Very low36.5Very low138 Ų138116.5 Ų116.584%0.83680%0.799SS**  trans-75.5149.4135-150.10000105.4
20P46.1Very low36.5Very low127 Ų127113 Ų11383%0.82580%0.797SS**  cis-147.4173.335.738.3-15.6000117.1
21G31.7Very low36.3Very low59 Ų59106.9 Ų106.961%0.60878%0.784SS**  trans159.680.5169.700000112.6
22T38.6Very low36.3Very low153 Ų153112.4 Ų112.494%0.93979%0.79SS**  72.2100.2104.9580000115.4
23G31.8Very low36.9Very low71 Ų71114.8 Ų114.873%0.73279%0.79SS**  trans-156.692.1151.600000106.5
24S36.5Very low37.8Very low105 Ų105113.3 Ų113.373%0.73478%0.777SS**  58.391.4105.5-165.20000111.4
25E40.3Very low39.5Very low179 Ų179112.7 Ų112.784%0.83676%0.76SS**  81.599.3110.5-85.1-172.394.100113.6
26A37.8Very low42Very low100 Ų100114.8 Ų114.883%0.82674%0.743SS**  -14075.8128.200000105.8A28A26-A28 PolarHBondContact O-N 3.02Å
27G33Very low44.9Very low66 Ų66105.4 Ų105.468%0.6870%0.699SS**  trans-59.592159.500000106.3V29G27-V29 PolarHBondContact O-N 3.36Å
28A36.5Very low47.8Very low91 Ų91101.8 Ų101.875%0.75266%0.661SS**  trans-60.692.1163.500000105A26 A30A26-A28 PolarHBondContact O-N 3.02Å; A28-A30 PolarHBondContact O-N 3.1Å
29V39.9Very low50.7Low139 Ų13996.8 Ų96.884%0.84262%0.62SS**  trans-60.185.7153-172.30000102.9G27 G31G27-V29 PolarHBondContact O-N 3.36Å; V29-G31 PolarHBondContact O-N 3.3Å
30A41.4Very low53.1Low84 Ų8491.4 Ų91.469%0.69459%0.585SS**  trans-57.793.916100000103A28 R32A28-A30 PolarHBondContact O-N 3.1Å; A30-R32 PolarHBondContact O-N 3.31Å
31G31.7Very low55.6Low57 Ų5785.5 Ų85.559%0.58855%0.546SS*.  trans-47107.216100000103.5V29 E33V29-G31 PolarHBondContact O-N 3.3Å; G31-E33 PolarHBondContact O-N 2.9Å
32R37.7Very low58.6Low211 Ų21185.5 Ų85.580%0.79653%0.531SS*.  trans-67.590.1-178-178.3-178.7-179.2-165.10.1103.8A30 P34A30-R32 PolarHBondContact O-N 3.31Å; R32-P34 VanDerWaalsContact O-N 3.1Å
33E45.7Very low61.4Low159 Ų15979.4 Ų79.474%0.74349%0.491SS*.  trans-45124.2164.4-77.2-65.4121.300105G31 S35G31-E33 PolarHBondContact O-N 2.9Å; E33-S35 PolarHBondContact O-N 3.01Å
34P54.4Low64.4Low92 Ų9277.5 Ų77.560%0.59746%0.464SS*.  trans-53.5115.3-176.320.6-30.7000106.5R32 R36R32-P34 VanDerWaalsContact O-N 3.1Å; P34-R36 PolarHBondContact O-N 3.03Å
35S66.9Low67Low71 Ų7174 Ų7450%0.49744%0.44SS..  trans-51.3120.5-170.8-550000107.9E33 L37E33-S35 PolarHBondContact O-N 3.01Å; S35-L37 PolarHBondContact O-N 3Å
36R85Confident69.3Low126 Ų12667.9 Ų67.948%0.47543%0.425SS..  trans-55.2126.5-168.4-174.9-175.3-167.7-166.310.9110P34 C38P34-R36 PolarHBondContact O-N 3.03Å; R36-C38 PolarHBondContact O-N 3.36Å; R36-C38 PolarHBondContact O-SG 2.84Å; R36-C38 VanDerWaalsContact O-SG 3.32Å
37L94.3Very high71.7Confident4 Ų472.4 Ų72.42%0.02143%0.425CS..  trans-66.6101.1175.317867.5000109.3S35 F60 Y129 W130 E133 L134 V199S35-L37 PolarHBondContact O-N 3Å; L37-F60 HydrophobicContact CB-CB 3.86Å; L37-F60 HydrophobicContact CD2-CB 4.14Å; L37-F60 HydrophobicContact CD2-CG 4.43Å; L37-F60 HydrophobicContact CG-CB 4.27Å; L37-F60 WeakPolarHBondContact O-CB 3.24Å; L37-F60 PolarHBondContact O-N 2.94Å; L37-Y129 HydrophobicContact CD1-CE1 3.69Å; L37-W130 HydrophobicContact CD1-CD2 4.26Å; L37-W130 HydrophobicContact CD1-CE3 3.85Å; L37-W130 HydrophobicContact CD1-CH2 4.1Å; L37-W130 HydrophobicContact CD1-CZ2 4.49Å; L37-W130 HydrophobicContact CD1-CZ3 3.77Å; L37-W130 HydrophobicContact CD2-CE3 3.92Å; L37-W130 HydrophobicContact CD2-CZ3 3.71Å; L37-W130 HydrophobicContact CG-CE3 3.96Å; L37-W130 HydrophobicContact CG-CH2 3.98Å; L37-W130 HydrophobicContact CG-CZ3 3.48Å; L37-W130 VanDerWaalsContact CG-CZ3 3.48Å; L37-E133 HydrophobicContact CD1-CB 3.86Å; L37-E133 HydrophobicContact CD1-CG 4.07Å; L37-E133 HydrophobicContact CD2-CB 3.77Å; L37-E133 HydrophobicContact CG-CB 4.4Å; L37-L134 HydrophobicContact CD2-CD2 3.76Å; L37-L134 HydrophobicContact CD2-CG 4.15Å; L37-V199 HydrophobicContact CD1-CG1 4.08Å
38C94.9Very high74.2Confident0 Ų072 Ų720%042%0.421CS..EExtended strand (participates in β ladder)trans-149.9154.7178.260.60000111.5R36 W57 F58 V59 V199 G200R36-C38 PolarHBondContact O-N 3.36Å; R36-C38 PolarHBondContact O-SG 2.84Å; R36-C38 VanDerWaalsContact O-SG 3.32Å; C38-W57 HydrophobicContact CB-CH2 4.36Å; C38-W57 HydrophobicContact CB-CZ2 3.73Å; C38-F58 CarbonylContact C-O 3.51Å; C38-F58 WeakPolarHBondContact CA-O 3.38Å; C38-F58 VanDerWaalsContact CB-O 3.26Å; C38-F58 WeakPolarHBondContact CB-O 3.21Å; C38-V59 HydrophobicContact CB-CB 4.39Å; C38-V59 HydrophobicContact CB-CG1 4.29Å; C38-V59 HydrophobicContact CB-CG2 4.14Å; C38-V199 CarbonylContact O-C 3.51Å; C38-V199 WeakPolarHBondContact O-CA 3.39Å; C38-V199 WeakPolarHBondContact O-CG1 3.48Å; C38-G200 PolarHBondContact O-N 2.88Å; C38-G200 VanDerWaalsContact SG-CA 3.51Å
39G95.4Very high76.7Confident0 Ų074.3 Ų74.30%043%0.429CS..EExtended strand (participates in β ladder)trans164.9169.8-176.800000113.3F58G39-F58 PolarHBondContact N-O 2.88Å; G39-F58 PolarHBondContact O-N 2.81Å
40Y96.2Very high79Confident26 Ų2674.2 Ų74.210%0.10242%0.423CS..EExtended strand (participates in β ladder)trans-81.6131.8174.4-72.9-78.7000111.7S55 R56 W57 P73 Q206 A208Y40-S55 WeakPolarHBondContact CD1-OG 3.42Å; Y40-R56 WeakPolarHBondContact CA-O 3.34Å; Y40-W57 HydrophobicContact CD1-CB 4.28Å; Y40-W57 HydrophobicContact CD1-CE3 4.13Å; Y40-W57 AromaticContact CD2-CE3 3.57Å; Y40-W57 HydrophobicContact CD2-CE3 3.57Å; Y40-W57 AromaticContact CD2-CZ3 3.75Å; Y40-W57 HydrophobicContact CD2-CZ3 3.75Å; Y40-W57 HydrophobicContact CE1-CB 4.01Å; Y40-W57 HydrophobicContact CE1-CE3 4.12Å; Y40-W57 AromaticContact CE2-CE3 3.55Å; Y40-W57 HydrophobicContact CE2-CE3 3.55Å; Y40-W57 AromaticContact CE2-CZ3 3.82Å; Y40-W57 HydrophobicContact CE2-CZ3 3.82Å; Y40-W57 AromaticContact CG-CE3 3.88Å; Y40-W57 HydrophobicContact CG-CE3 3.88Å; Y40-W57 HydrophobicContact CG-CZ3 4.41Å; Y40-W57 AromaticContact CZ-CE3 3.86Å; Y40-P73 WeakPolarHBondContact OH-CD 3.49Å; Y40-P73 WeakPolarHBondContact OH-CG 3.39Å; Y40-Q206 WeakPolarHBondContact CE2-O 3.44Å; Y40-A208 HydrophobicContact CD1-CB 4.11Å; Y40-A208 HydrophobicContact CE1-CB 3.8Å
41L96.8Very high81.5Confident2 Ų277.9 Ų77.91%0.0142%0.419CS..EExtended strand (participates in β ladder)trans-131.5154.4166-66.3172.2000109.9K43 R56 F58 F108 L119 A121 W130L41-K43 PolarHBondContact O-N 2.94Å; L41-R56 PolarHBondContact N-O 3.24Å; L41-R56 PolarHBondContact O-N 3.11Å; L41-F58 HydrophobicContact CB-CD2 3.64Å; L41-F58 HydrophobicContact CB-CE2 3.61Å; L41-F58 HydrophobicContact CD1-CD2 4.22Å; L41-F58 HydrophobicContact CD1-CG 4.44Å; L41-F58 HydrophobicContact CG-CD2 4.21Å; L41-F108 HydrophobicContact CD1-CE1 4.39Å; L41-F108 HydrophobicContact CD1-CZ 4.06Å; L41-L119 HydrophobicContact CD1-CD1 4.1Å; L41-A121 HydrophobicContact CD2-CB 3.91Å; L41-W130 HydrophobicContact CD1-CD2 3.81Å; L41-W130 HydrophobicContact CD1-CE3 4.26Å; L41-W130 HydrophobicContact CD1-CG 4.07Å; L41-W130 HydrophobicContact CD1-CZ2 4.17Å; L41-W130 HydrophobicContact CD2-CG 4.4Å; L41-W130 HydrophobicContact CG-CD2 4.49Å; L41-W130 HydrophobicContact CG-CZ2 4.32Å
42Q96.4Very high84.4Confident60 Ų6075.9 Ų75.928%0.2840%0.399SS..EExtended strand (participates in β ladder)trans-87.1110173.7-70.2-167.9-32.300109.8Y53 R54 L119 K120Q42-Y53 HydrophobicContact CB-CD1 3.84Å; Q42-Y53 HydrophobicContact CB-CG 4.3Å; Q42-Y53 WeakPolarHBondContact O-CD1 3.18Å; Q42-R54 CarbonylContact C-O 3.55Å; Q42-R54 WeakPolarHBondContact CA-O 3.19Å; Q42-L119 CarbonylContact O-C 3.52Å; Q42-L119 WeakPolarHBondContact O-CA 3.32Å; Q42-K120 HydrophobicContact CB-CB 4.03Å; Q42-K120 WeakPolarHBondContact CB-O 3.41Å; Q42-K120 PolarHBondContact N-O 3.4Å; Q42-K120 PolarHBondContact O-N 2.95Å
43K96.4Very high87.2Confident24 Ų2469.5 Ų69.510%0.10438%0.375CS..EExtended strand (participates in β ladder)trans-91.2126.7175.4-173.3176.8178.1-64.20110.5L41 S45 R54 R56 F58 Y69 T117 L119L41-K43 PolarHBondContact O-N 2.94Å; K43-S45 PolarHBondContact NZ-OG 2.8Å; K43-S45 PolarHBondContact O-N 2.91Å; K43-R54 PolarHBondContact N-O 2.82Å; K43-R54 PolarHBondContact O-N 3.04Å; K43-R56 HydrophobicContact CB-CG 4.15Å; K43-F58 HydrophobicContact CB-CE2 4.48Å; K43-F58 HydrophobicContact CB-CZ 4.06Å; K43-F58 HydrophobicContact CD-CZ 4.22Å; K43-F58 HydrophobicContact CG-CZ 4.48Å; K43-Y69 HydrophobicContact CD-CD2 4.29Å; K43-Y69 HydrophobicContact CD-CE2 4.15Å; K43-T117 HydrophobicContact CD-CG2 4.17Å; K43-T117 HydrophobicContact CG-CG2 3.97Å; K43-L119 HydrophobicContact CB-CD2 3.83Å; K43-L119 HydrophobicContact CG-CD2 3.82Å
44L95Very high89.5Confident32 Ų3268.3 Ų68.317%0.16836%0.364CS..EExtended strand (participates in β ladder)trans-67.2120170-165.960.4000109R51 Y53 V118L44-R51 HydrophobicContact CD1-CG 4.07Å; L44-R51 HydrophobicContact CG-CG 4.23Å; L44-Y53 HydrophobicContact CB-CD1 4.2Å; L44-Y53 HydrophobicContact CB-CE1 3.93Å; L44-Y53 HydrophobicContact CD1-CD1 4.34Å; L44-Y53 HydrophobicContact CD1-CD2 4.13Å; L44-Y53 HydrophobicContact CD1-CE1 4.29Å; L44-Y53 HydrophobicContact CD1-CE2 4.08Å; L44-Y53 HydrophobicContact CD1-CG 4.27Å; L44-V118 HydrophobicContact CB-CB 3.87Å; L44-V118 HydrophobicContact CD2-CB 3.91Å; L44-V118 HydrophobicContact CD2-CG1 4.36Å; L44-V118 HydrophobicContact CD2-CG2 4.04Å; L44-V118 PolarHBondContact N-O 3.26Å
45S91.3Very high91.5Very high32 Ų3265.5 Ų65.522%0.22435%0.346CS..EExtended strand (participates in β ladder)trans-141.3163.9-176.9-680000110.8K43 R51 G52K43-S45 PolarHBondContact NZ-OG 2.8Å; K43-S45 PolarHBondContact O-N 2.91Å; S45-R51 WeakPolarHBondContact O-CA 3.41Å; S45-G52 PolarHBondContact N-O 3.33Å; S45-G52 PolarHBondContact O-N 3Å; S45-G52 VanDerWaalsContact O-O 3.04Å
46G88.3Confident92.9Very high50 Ų5064.7 Ų64.752%0.51533%0.332SS..  trans93.2164.6-175.600000112.9
47K87.9Confident93.4Very high194 Ų19459.3 Ų59.384%0.84331%0.312SS*.SBendtrans-121.6150.3177.1-64.4-173.6179-175.90109.3L50K47-L50 PolarHBondContact O-N 2.67Å
48G86.6Confident93.6Very high58 Ų5859.1 Ų59.160%0.59831%0.311SS*.G310 helixtrans58.5-139.1176.600000113L50 R51G48-L50 PolarHBondContact O-N 3.38Å; G48-L50 VanDerWaalsContact O-N 3.1Å; G48-R51 WeakPolarHBondContact O-CB 3.35Å; G48-R51 PolarHBondContact O-N 3.36Å
49P87.9Confident93.6Very high140 Ų14059.2 Ų59.291%0.90931%0.312SS*.G310 helixtrans-60.1-20.8-178.5-2433.7000114.9R51P49-R51 VanDerWaalsContact C-N 3.29Å
50L89.6Confident93.7Very high137 Ų13759.8 Ų59.872%0.71731%0.314SS*.G310 helixtrans-87.83179-60.8177.4000112.9K47 G48 G52K47-L50 PolarHBondContact O-N 2.67Å; G48-L50 PolarHBondContact O-N 3.38Å; G48-L50 VanDerWaalsContact O-N 3.1Å; L50-G52 PolarHBondContact O-N 3.23Å
51R92.8Very high93.6Very high160 Ų16060.6 Ų60.660%0.60432%0.32SS*.  trans-66.1121.1177-173.5-178.9-177.8-155.82.6109.5L44 S45 G48 P49L44-R51 HydrophobicContact CD1-CG 4.07Å; L44-R51 HydrophobicContact CG-CG 4.23Å; S45-R51 WeakPolarHBondContact O-CA 3.41Å; G48-R51 WeakPolarHBondContact O-CB 3.35Å; G48-R51 PolarHBondContact O-N 3.36Å; P49-R51 VanDerWaalsContact C-N 3.29Å
52G93.6Very high93.4Very high16 Ų1664.3 Ų64.317%0.16535%0.346CS..EExtended strand (participates in β ladder)trans-165.8165.5179.700000112.8S45 L50S45-G52 PolarHBondContact N-O 3.33Å; S45-G52 PolarHBondContact O-N 3Å; S45-G52 VanDerWaalsContact O-O 3.04Å; L50-G52 PolarHBondContact O-N 3.23Å
53Y95Very high93.1Very high77 Ų7771.8 Ų71.830%0.30237%0.372SS..EExtended strand (participates in β ladder)trans-72.4137.8175.8-76.3-74.8000110.7Q42 L44 V118 K120Q42-Y53 HydrophobicContact CB-CD1 3.84Å; Q42-Y53 HydrophobicContact CB-CG 4.3Å; Q42-Y53 WeakPolarHBondContact O-CD1 3.18Å; L44-Y53 HydrophobicContact CB-CD1 4.2Å; L44-Y53 HydrophobicContact CB-CE1 3.93Å; L44-Y53 HydrophobicContact CD1-CD1 4.34Å; L44-Y53 HydrophobicContact CD1-CD2 4.13Å; L44-Y53 HydrophobicContact CD1-CE1 4.29Å; L44-Y53 HydrophobicContact CD1-CE2 4.08Å; L44-Y53 HydrophobicContact CD1-CG 4.27Å; Y53-V118 HydrophobicContact CE1-CG1 4.45Å; Y53-K120 HydrophobicContact CD1-CB 3.98Å; Y53-K120 HydrophobicContact CE1-CB 3.56Å; Y53-K120 HydrophobicContact CE2-CD 4.45Å
54R94.8Very high92.9Very high134 Ų13476.9 Ų76.951%0.50639%0.391SS..EExtended strand (participates in β ladder)trans-131129.4174.8-65.2-65.9-178.7-94.92.1108.8Q42 K43 R56Q42-R54 CarbonylContact C-O 3.55Å; Q42-R54 WeakPolarHBondContact CA-O 3.19Å; K43-R54 PolarHBondContact N-O 2.82Å; K43-R54 PolarHBondContact O-N 3.04Å; R54-R56 PolarHBondContact O-N 2.83Å
55S95.6Very high92.9Very high32 Ų3275.4 Ų75.422%0.22438%0.383CS..EExtended strand (participates in β ladder)trans-65.5129.3173-168.70000109.6Y40Y40-S55 WeakPolarHBondContact CD1-OG 3.42Å
56R96.9Very high93.1Very high55 Ų5575.9 Ų75.921%0.20838%0.38CS..EExtended strand (participates in β ladder)trans-135.8143.2178-63.5-62.6-174.4-170.66.3108.8Y40 L41 K43 R54 F58 Y69 F70 L79Y40-R56 WeakPolarHBondContact CA-O 3.34Å; L41-R56 PolarHBondContact N-O 3.24Å; L41-R56 PolarHBondContact O-N 3.11Å; K43-R56 HydrophobicContact CB-CG 4.15Å; R54-R56 PolarHBondContact O-N 2.83Å; R56-F58 HydrophobicContact CB-CD2 4.23Å; R56-F58 HydrophobicContact CB-CE2 3.63Å; R56-F58 HydrophobicContact CB-CZ 4.21Å; R56-F58 VanDerWaalsContact O-CD2 3.24Å; R56-F58 WeakPolarHBondContact O-CD2 3.25Å; R56-Y69 HydrophobicContact CG-CD2 4.47Å; R56-F70 WeakPolarHBondContact CA-O 3.46Å; R56-F70 WeakPolarHBondContact CD-O 3.38Å; R56-L79 VanDerWaalsContact NH1-CD1 3.28Å
57W96.6Very high93.5Very high12 Ų1273.5 Ų73.55%0.04536%0.355CS..EExtended strand (participates in β ladder)trans-84.4118.2174.6178.7-107.7000108.9C38 Y40 V59 Y69 F70 P73 A203 A204C38-W57 HydrophobicContact CB-CH2 4.36Å; C38-W57 HydrophobicContact CB-CZ2 3.73Å; Y40-W57 HydrophobicContact CD1-CB 4.28Å; Y40-W57 HydrophobicContact CD1-CE3 4.13Å; Y40-W57 AromaticContact CD2-CE3 3.57Å; Y40-W57 HydrophobicContact CD2-CE3 3.57Å; Y40-W57 AromaticContact CD2-CZ3 3.75Å; Y40-W57 HydrophobicContact CD2-CZ3 3.75Å; Y40-W57 HydrophobicContact CE1-CB 4.01Å; Y40-W57 HydrophobicContact CE1-CE3 4.12Å; Y40-W57 AromaticContact CE2-CE3 3.55Å; Y40-W57 HydrophobicContact CE2-CE3 3.55Å; Y40-W57 AromaticContact CE2-CZ3 3.82Å; Y40-W57 HydrophobicContact CE2-CZ3 3.82Å; Y40-W57 AromaticContact CG-CE3 3.88Å; Y40-W57 HydrophobicContact CG-CE3 3.88Å; Y40-W57 HydrophobicContact CG-CZ3 4.41Å; Y40-W57 AromaticContact CZ-CE3 3.86Å; W57-V59 HydrophobicContact CG-CG2 4.33Å; W57-Y69 CarbonylContact O-C 3.58Å; W57-Y69 VanDerWaalsContact O-CA 3.25Å; W57-Y69 WeakPolarHBondContact O-CA 3.44Å; W57-F70 HydrophobicContact CB-CB 4.39Å; W57-F70 PolarHBondContact N-O 2.79Å; W57-F70 VanDerWaalsContact N-O 3.11Å; W57-F70 PolarHBondContact O-N 3.49Å; W57-P73 HydrophobicContact CD2-CB 3.78Å; W57-P73 HydrophobicContact CD2-CG 4.28Å; W57-P73 HydrophobicContact CE3-CB 4.4Å; W57-P73 HydrophobicContact CE3-CG 4.48Å; W57-P73 HydrophobicContact CG-CB 3.84Å; W57-P73 HydrophobicContact CG-CG 4.41Å; W57-P73 HydrophobicContact CZ2-CB 4.37Å; W57-A203 HydrophobicContact CH2-CB 3.94Å; W57-A203 HydrophobicContact CZ3-CB 3.94Å; W57-A204 HydrophobicContact CH2-CB 3.78Å; W57-A204 VanDerWaalsContact CH2-N 3.28Å; W57-A204 HydrophobicContact CZ2-CB 3.75Å; W57-A204 HydrophobicContact CZ3-CB 4.43Å
58F97Very high94Very high0 Ų066 Ų660%032%0.322CS..EExtended strand (participates in β ladder)trans-102.9143.8-179-74.5-95.5000110.8C38 G39 L41 K43 R56 L67 Y68 Y69 L82 L119 W130C38-F58 CarbonylContact C-O 3.51Å; C38-F58 WeakPolarHBondContact CA-O 3.38Å; C38-F58 VanDerWaalsContact CB-O 3.26Å; C38-F58 WeakPolarHBondContact CB-O 3.21Å; G39-F58 PolarHBondContact N-O 2.88Å; G39-F58 PolarHBondContact O-N 2.81Å; L41-F58 HydrophobicContact CB-CD2 3.64Å; L41-F58 HydrophobicContact CB-CE2 3.61Å; L41-F58 HydrophobicContact CD1-CD2 4.22Å; L41-F58 HydrophobicContact CD1-CG 4.44Å; L41-F58 HydrophobicContact CG-CD2 4.21Å; K43-F58 HydrophobicContact CB-CE2 4.48Å; K43-F58 HydrophobicContact CB-CZ 4.06Å; K43-F58 HydrophobicContact CD-CZ 4.22Å; K43-F58 HydrophobicContact CG-CZ 4.48Å; R56-F58 HydrophobicContact CB-CD2 4.23Å; R56-F58 HydrophobicContact CB-CE2 3.63Å; R56-F58 HydrophobicContact CB-CZ 4.21Å; R56-F58 VanDerWaalsContact O-CD2 3.24Å; R56-F58 WeakPolarHBondContact O-CD2 3.25Å; F58-L67 HydrophobicContact CB-CD1 4.26Å; F58-L67 HydrophobicContact CB-CG 4.49Å; F58-L67 HydrophobicContact CD1-CD2 3.78Å; F58-L67 HydrophobicContact CD1-CG 3.91Å; F58-L67 HydrophobicContact CE1-CD2 4.43Å; F58-Y68 CarbonylContact C-O 3.59Å; F58-Y68 WeakPolarHBondContact CA-O 3.2Å; F58-Y69 HydrophobicContact CE1-CD1 4.22Å; F58-Y69 HydrophobicContact CE1-CG 4.1Å; F58-Y69 HydrophobicContact CZ-CG 4.42Å; F58-L82 HydrophobicContact CE1-CD1 4.06Å; F58-L119 HydrophobicContact CE1-CD1 4.24Å; F58-L119 HydrophobicContact CE1-CD2 4.08Å; F58-L119 HydrophobicContact CE2-CD2 4.24Å; F58-L119 HydrophobicContact CZ-CD1 4.33Å; F58-L119 HydrophobicContact CZ-CD2 3.5Å; F58-L119 VanDerWaalsContact CZ-CD2 3.5Å; F58-W130 HydrophobicContact CB-CH2 3.86Å; F58-W130 HydrophobicContact CB-CZ2 4.44Å; F58-W130 HydrophobicContact CB-CZ3 4.49Å
59V96.4Very high94.4Very high3 Ų365.2 Ų65.22%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-148120.3-173.9-173.10000110.2C38 W57 Y68 F70C38-V59 HydrophobicContact CB-CB 4.39Å; C38-V59 HydrophobicContact CB-CG1 4.29Å; C38-V59 HydrophobicContact CB-CG2 4.14Å; W57-V59 HydrophobicContact CG-CG2 4.33Å; V59-Y68 PolarHBondContact N-O 2.82Å; V59-Y68 PolarHBondContact O-N 2.88Å; V59-F70 HydrophobicContact CB-CE2 4.05Å; V59-F70 HydrophobicContact CG2-CD2 4.02Å; V59-F70 HydrophobicContact CG2-CE2 3.84Å
60F96.6Very high94.9Very high12 Ų1259.8 Ų59.85%0.05326%0.263CS..EExtended strand (participates in β ladder)trans-84.4140.6178.1-172.7-102.3000111.7L37 S62 L67 I84 L134 K137L37-F60 HydrophobicContact CB-CB 3.86Å; L37-F60 HydrophobicContact CD2-CB 4.14Å; L37-F60 HydrophobicContact CD2-CG 4.43Å; L37-F60 HydrophobicContact CG-CB 4.27Å; L37-F60 WeakPolarHBondContact O-CB 3.24Å; L37-F60 PolarHBondContact O-N 2.94Å; F60-S62 VanDerWaalsContact CE1-CA 3.47Å; F60-L67 HydrophobicContact CB-CD1 3.98Å; F60-L67 HydrophobicContact CD2-CD1 4.38Å; F60-I84 HydrophobicContact CD2-CG1 4.41Å; F60-I84 HydrophobicContact CE2-CB 4.18Å; F60-I84 HydrophobicContact CE2-CG1 4.07Å; F60-I84 HydrophobicContact CE2-CG2 4.34Å; F60-L134 HydrophobicContact CD2-CD2 4.31Å; F60-K137 HydrophobicContact CD1-CD 4.09Å; F60-K137 HydrophobicContact CD1-CG 4.08Å; F60-K137 HydrophobicContact CE1-CB 3.73Å; F60-K137 HydrophobicContact CE1-CD 3.61Å; F60-K137 HydrophobicContact CE1-CG 3.68Å; F60-K137 HydrophobicContact CE2-CB 4.08Å; F60-K137 HydrophobicContact CZ-CB 3.49Å; F60-K137 VanDerWaalsContact CZ-CB 3.49Å; F60-K137 HydrophobicContact CZ-CD 4.28Å; F60-K137 HydrophobicContact CZ-CG 3.98Å
61D94.6Very high95.1Very high43 Ų4360.2 Ų60.223%0.2326%0.26CS..EExtended strand (participates in β ladder)trans-120.9111.3171.8-178.4-10.7000109.2R63 C65 Y66 Y68D61-R63 VanDerWaalsContact C-N 3.29Å; D61-R63 PolarHBondContact O-N 2.92Å; D61-R63 WeakPolarHBondContact OD1-CB 3.35Å; D61-R63 PolarHBondContact OD1-N 3.42Å; D61-C65 WeakPolarHBondContact O-CA 3.49Å; D61-C65 PolarHBondContact O-N 3.3Å; D61-Y66 PolarHBondContact N-O 3.25Å; D61-Y66 PolarHBondContact O-N 3.21Å; D61-Y66 VanDerWaalsContact O-N 3.14Å; D61-Y68 HydrophobicContact CB-CD2 4.05Å; D61-Y68 HydrophobicContact CB-CE2 3.63Å
62S91.7Very high95.1Very high80 Ų8053.9 Ų53.956%0.55924%0.239SC*.THydrogen-bonded Turntrans-68.1-25.5-178.653.30000113.7F60F60-S62 VanDerWaalsContact CE1-CA 3.47Å
63R90.4Very high95Very high216 Ų21654.5 Ų54.582%0.81524%0.241SC*.THydrogen-bonded Turntrans-70.8-35.8-176-62.6177.862.8-167.4-0.5112D61D61-R63 VanDerWaalsContact C-N 3.29Å; D61-R63 PolarHBondContact O-N 2.92Å; D61-R63 WeakPolarHBondContact OD1-CB 3.35Å; D61-R63 PolarHBondContact OD1-N 3.42Å
64R92.1Very high94.8Very high132 Ų13257.3 Ų57.350%0.49826%0.257SS..THydrogen-bonded Turntrans-107.1-5.7-179.5-58.9-173.770.6171.74.6113Y66R64-Y66 HydrophobicContact CB-CD1 4.27Å; R64-Y66 HydrophobicContact CB-CD2 3.83Å; R64-Y66 HydrophobicContact CB-CE2 4.2Å; R64-Y66 HydrophobicContact CB-CG 3.86Å; R64-Y66 WeakPolarHBondContact O-CD1 3.46Å; R64-Y66 WeakPolarHBondContact O-CE1 3.47Å; R64-Y66 PolarHBondContact O-N 3.38Å
65C94.9Very high94.7Very high0 Ų053.7 Ų53.70%025%0.247CC..THydrogen-bonded Turntrans53.640.3-168-150.80000112.2D61 I84 A85 Y141D61-C65 WeakPolarHBondContact O-CA 3.49Å; D61-C65 PolarHBondContact O-N 3.3Å; C65-I84 WeakPolarHBondContact O-CA 3.11Å; C65-I84 VanDerWaalsContact O-CB 3.24Å; C65-I84 WeakPolarHBondContact O-CB 3.38Å; C65-I84 PolarHBondContact O-N 2.99Å; C65-A85 HydrophobicContact CB-CB 4.07Å; C65-Y141 HydrophobicContact CB-CD1 3.58Å; C65-Y141 HydrophobicContact CB-CD2 3.69Å; C65-Y141 HydrophobicContact CB-CE1 3.79Å; C65-Y141 HydrophobicContact CB-CE2 3.91Å; C65-Y141 HydrophobicContact CB-CG 3.51Å
66Y96.4Very high94.4Very high42 Ų4256.9 Ų56.917%0.16528%0.275CS..EExtended strand (participates in β ladder)trans-108.1139.9-178.4-73.4-5.9000111D61 R64 Y68 H81 L82 D83D61-Y66 PolarHBondContact N-O 3.25Å; D61-Y66 PolarHBondContact O-N 3.21Å; D61-Y66 VanDerWaalsContact O-N 3.14Å; R64-Y66 HydrophobicContact CB-CD1 4.27Å; R64-Y66 HydrophobicContact CB-CD2 3.83Å; R64-Y66 HydrophobicContact CB-CE2 4.2Å; R64-Y66 HydrophobicContact CB-CG 3.86Å; R64-Y66 WeakPolarHBondContact O-CD1 3.46Å; R64-Y66 WeakPolarHBondContact O-CE1 3.47Å; R64-Y66 PolarHBondContact O-N 3.38Å; Y66-Y68 HydrophobicContact CD2-CE1 4.32Å; Y66-Y68 AromaticContact CD2-CZ 3.96Å; Y66-H81 HydrophobicContact CD2-CB 4.49Å; Y66-H81 AromaticContact CD2-CD2 3.71Å; Y66-H81 AromaticContact CE2-CD2 3.75Å; Y66-H81 AromaticContact CE2-NE2 3.92Å; Y66-H81 AromaticContact CG-CD2 3.99Å; Y66-L82 WeakPolarHBondContact CA-O 3.4Å; Y66-D83 HydrophobicContact CD1-CB 4.22Å; Y66-D83 HydrophobicContact CE1-CB 3.9Å
67L97.1Very high94.3Very high0 Ų061 Ų610%030%0.301CS..EExtended strand (participates in β ladder)trans-10399.8168.1-173.369.6000109F58 F60 H81 L82 I84 W130 L134F58-L67 HydrophobicContact CB-CD1 4.26Å; F58-L67 HydrophobicContact CB-CG 4.49Å; F58-L67 HydrophobicContact CD1-CD2 3.78Å; F58-L67 HydrophobicContact CD1-CG 3.91Å; F58-L67 HydrophobicContact CE1-CD2 4.43Å; F60-L67 HydrophobicContact CB-CD1 3.98Å; F60-L67 HydrophobicContact CD2-CD1 4.38Å; L67-H81 CarbonylContact O-C 3.48Å; L67-H81 WeakPolarHBondContact O-CA 3.45Å; L67-L82 HydrophobicContact CB-CB 4.31Å; L67-L82 HydrophobicContact CB-CD1 4.48Å; L67-L82 HydrophobicContact CD2-CD1 3.99Å; L67-L82 HydrophobicContact CG-CD1 4.5Å; L67-L82 PolarHBondContact N-O 2.87Å; L67-L82 PolarHBondContact O-N 3.14Å; L67-I84 HydrophobicContact CB-CD1 3.8Å; L67-I84 HydrophobicContact CB-CG1 3.77Å; L67-I84 HydrophobicContact CD2-CD1 4.47Å; L67-W130 HydrophobicContact CD1-CH2 4.44Å; L67-W130 HydrophobicContact CD1-CZ3 3.88Å; L67-W130 HydrophobicContact CD2-CZ3 4.43Å; L67-L134 HydrophobicContact CD1-CD2 4.32Å; L67-L134 HydrophobicContact CD2-CD1 4.29Å; L67-L134 HydrophobicContact CD2-CD2 4.07Å
68Y96.9Very high94.2Very high38 Ų3863.1 Ų63.115%0.14932%0.316CS..EExtended strand (participates in β ladder)trans-77151.8176.3-64.3-76.9000111F58 V59 D61 Y66 P78 H81F58-Y68 CarbonylContact C-O 3.59Å; F58-Y68 WeakPolarHBondContact CA-O 3.2Å; V59-Y68 PolarHBondContact N-O 2.82Å; V59-Y68 PolarHBondContact O-N 2.88Å; D61-Y68 HydrophobicContact CB-CD2 4.05Å; D61-Y68 HydrophobicContact CB-CE2 3.63Å; Y66-Y68 HydrophobicContact CD2-CE1 4.32Å; Y66-Y68 AromaticContact CD2-CZ 3.96Å; Y68-P78 HydrophobicContact CD1-CB 3.94Å; Y68-P78 HydrophobicContact CD1-CG 4.07Å; Y68-P78 HydrophobicContact CG-CB 4.48Å; Y68-H81 HydrophobicContact CD1-CB 3.65Å; Y68-H81 HydrophobicContact CE1-CB 3.85Å; Y68-H81 HydrophobicContact CG-CB 4.43Å
69Y96.7Very high94.2Very high40 Ų4067.3 Ų67.316%0.15734%0.338CS..EExtended strand (participates in β ladder)trans-135140.7171.764.3-87.9000112.9K43 R56 W57 F58 L79 G80K43-Y69 HydrophobicContact CD-CD2 4.29Å; K43-Y69 HydrophobicContact CD-CE2 4.15Å; R56-Y69 HydrophobicContact CG-CD2 4.47Å; W57-Y69 CarbonylContact O-C 3.58Å; W57-Y69 VanDerWaalsContact O-CA 3.25Å; W57-Y69 WeakPolarHBondContact O-CA 3.44Å; F58-Y69 HydrophobicContact CE1-CD1 4.22Å; F58-Y69 HydrophobicContact CE1-CG 4.1Å; F58-Y69 HydrophobicContact CZ-CG 4.42Å; Y69-L79 HydrophobicContact CD2-CB 3.78Å; Y69-L79 HydrophobicContact CD2-CD1 4.25Å; Y69-L79 HydrophobicContact CE2-CB 3.53Å; Y69-L79 HydrophobicContact CE2-CD1 4.41Å; Y69-L79 WeakPolarHBondContact O-CB 3.45Å; Y69-L79 PolarHBondContact O-N 3.34Å; Y69-G80 WeakPolarHBondContact CD1-O 3.2Å; Y69-G80 PolarHBondContact N-O 3.39Å
70F96.7Very high94.1Very high27 Ų2768 Ų6812%0.11835%0.346CS..EExtended strand (participates in β ladder)trans-124.2165.1-173-56.7-99.9000110.2R56 W57 V59 S72 D75 L77 P78R56-F70 WeakPolarHBondContact CA-O 3.46Å; R56-F70 WeakPolarHBondContact CD-O 3.38Å; W57-F70 HydrophobicContact CB-CB 4.39Å; W57-F70 PolarHBondContact N-O 2.79Å; W57-F70 VanDerWaalsContact N-O 3.11Å; W57-F70 PolarHBondContact O-N 3.49Å; V59-F70 HydrophobicContact CB-CE2 4.05Å; V59-F70 HydrophobicContact CG2-CD2 4.02Å; V59-F70 HydrophobicContact CG2-CE2 3.84Å; F70-S72 VanDerWaalsContact CB-O 3.24Å; F70-S72 WeakPolarHBondContact CB-O 3.45Å; F70-D75 HydrophobicContact CB-CB 4.28Å; F70-D75 HydrophobicContact CD1-CB 4.11Å; F70-L77 WeakPolarHBondContact CD1-O 3.29Å; F70-P78 HydrophobicContact CD1-CB 4.18Å; F70-P78 VanDerWaalsContact CE1-CA 3.43Å; F70-P78 HydrophobicContact CE1-CB 3.67Å; F70-P78 HydrophobicContact CE1-CG 4.29Å; F70-P78 VanDerWaalsContact CE1-N 3.3Å; F70-P78 HydrophobicContact CE2-CB 4.39Å; F70-P78 HydrophobicContact CZ-CB 3.78Å; F70-P78 HydrophobicContact CZ-CG 4.47Å
71K95.1Very high94.1Very high146 Ų14672.1 Ų72.164%0.63537%0.365SS*.SBendtrans-74.9-40.2171.3177.2-174.6177.7-170.90109.6D75 L79K71-D75 WeakPolarHBondContact CA-OD2 3.39Å; K71-D75 WeakPolarHBondContact CB-OD2 3.47Å; K71-D75 PolarHBondContact N-OD2 2.83Å; K71-L79 HydrophobicContact CB-CD1 4.14Å
72S91.7Very high94.1Very high26 Ų2670.5 Ų70.518%0.18236%0.356CS..SBendtrans-137.8158.917685.60000111F70 Q74 D75F70-S72 VanDerWaalsContact CB-O 3.24Å; F70-S72 WeakPolarHBondContact CB-O 3.45Å; S72-Q74 PolarHBondContact O-N 3.34Å; S72-Q74 PolarHBondContact OG-N 2.86Å; S72-Q74 PolarHBondContact OG-OE1 3.11Å; S72-D75 PolarHBondContact N-OD2 2.85Å; S72-D75 WeakPolarHBondContact O-CB 3.19Å; S72-D75 PolarHBondContact O-N 2.84Å; S72-D75 PolarHBondContact OG-N 2.83Å; S72-D75 PolarHBondContact OG-OD1 2.74Å
73P91.4Very high94.3Very high29 Ų2968.7 Ų68.719%0.18834%0.34CS..THydrogen-bonded Turntrans-66.1-20.2174.618.5-25.2000113.8Y40 W57 D75 A204Y40-P73 WeakPolarHBondContact OH-CD 3.49Å; Y40-P73 WeakPolarHBondContact OH-CG 3.39Å; W57-P73 HydrophobicContact CD2-CB 3.78Å; W57-P73 HydrophobicContact CD2-CG 4.28Å; W57-P73 HydrophobicContact CE3-CB 4.4Å; W57-P73 HydrophobicContact CE3-CG 4.48Å; W57-P73 HydrophobicContact CG-CB 3.84Å; W57-P73 HydrophobicContact CG-CG 4.41Å; W57-P73 HydrophobicContact CZ2-CB 4.37Å; P73-D75 VanDerWaalsContact C-N 3.3Å; P73-A204 HydrophobicContact CB-CB 3.7Å; P73-A204 HydrophobicContact CG-CB 4.1Å; P73-A204 WeakPolarHBondContact CG-O 3.5Å
74Q90.9Very high94.6Very high137 Ų13758.4 Ų58.464%0.6430%0.301SS*.THydrogen-bonded Turntrans-82-9.5176.9-61.978.424.300112.8S72S72-Q74 PolarHBondContact O-N 3.34Å; S72-Q74 PolarHBondContact OG-N 2.86Å; S72-Q74 PolarHBondContact OG-OE1 3.11Å
75D92.8Very high94.7Very high58 Ų5853.2 Ų53.231%0.3129%0.287SS..  trans-72.1131.8-177.7-62.4-15.8000111.1F70 K71 S72 P73F70-D75 HydrophobicContact CB-CB 4.28Å; F70-D75 HydrophobicContact CD1-CB 4.11Å; K71-D75 WeakPolarHBondContact CA-OD2 3.39Å; K71-D75 WeakPolarHBondContact CB-OD2 3.47Å; K71-D75 PolarHBondContact N-OD2 2.83Å; S72-D75 PolarHBondContact N-OD2 2.85Å; S72-D75 WeakPolarHBondContact O-CB 3.19Å; S72-D75 PolarHBondContact O-N 2.84Å; S72-D75 PolarHBondContact OG-N 2.83Å; S72-D75 PolarHBondContact OG-OD1 2.74Å; P73-D75 VanDerWaalsContact C-N 3.3Å
76A89.1Confident94.6Very high98 Ų9856.7 Ų56.781%0.8131%0.305SS*.SBendtrans-77.6-24.3175.600000113.4
77L94.7Very high94.5Very high142 Ų14254.7 Ų54.774%0.74330%0.297SS*.SBendtrans-111.2123.9-173.7-70.6172.4000111.6F70F70-L77 WeakPolarHBondContact CD1-O 3.29Å
78P96.1Very high94.4Very high57 Ų5758.1 Ų58.137%0.3732%0.321SS..  trans-69.5142.817528.4-32.8000110.6Y68 F70Y68-P78 HydrophobicContact CD1-CB 3.94Å; Y68-P78 HydrophobicContact CD1-CG 4.07Å; Y68-P78 HydrophobicContact CG-CB 4.48Å; F70-P78 HydrophobicContact CD1-CB 4.18Å; F70-P78 VanDerWaalsContact CE1-CA 3.43Å; F70-P78 HydrophobicContact CE1-CB 3.67Å; F70-P78 HydrophobicContact CE1-CG 4.29Å; F70-P78 VanDerWaalsContact CE1-N 3.3Å; F70-P78 HydrophobicContact CE2-CB 4.39Å; F70-P78 HydrophobicContact CZ-CB 3.78Å; F70-P78 HydrophobicContact CZ-CG 4.47Å
79L95.4Very high94.4Very high88 Ų8858.2 Ų58.246%0.46132%0.322SS..SBendtrans-73.1-24.1171.1-62172.1000111.6R56 Y69 K71R56-L79 VanDerWaalsContact NH1-CD1 3.28Å; Y69-L79 HydrophobicContact CD2-CB 3.78Å; Y69-L79 HydrophobicContact CD2-CD1 4.25Å; Y69-L79 HydrophobicContact CE2-CB 3.53Å; Y69-L79 HydrophobicContact CE2-CD1 4.41Å; Y69-L79 WeakPolarHBondContact O-CB 3.45Å; Y69-L79 PolarHBondContact O-N 3.34Å; K71-L79 HydrophobicContact CB-CD1 4.14Å
80G95.1Very high94.3Very high17 Ų1758.4 Ų58.418%0.17533%0.329CS..EExtended strand (participates in β ladder)trans174.4-173.1175.800000111.4Y69Y69-G80 WeakPolarHBondContact CD1-O 3.2Å; Y69-G80 PolarHBondContact N-O 3.39Å
81H95.8Very high94Very high98 Ų9863.9 Ų63.945%0.45435%0.35SS..EExtended strand (participates in β ladder)trans-140.5164.1177.463.4-77.8000110.7Y66 L67 Y68Y66-H81 HydrophobicContact CD2-CB 4.49Å; Y66-H81 AromaticContact CD2-CD2 3.71Å; Y66-H81 AromaticContact CE2-CD2 3.75Å; Y66-H81 AromaticContact CE2-NE2 3.92Å; Y66-H81 AromaticContact CG-CD2 3.99Å; L67-H81 CarbonylContact O-C 3.48Å; L67-H81 WeakPolarHBondContact O-CA 3.45Å; Y68-H81 HydrophobicContact CD1-CB 3.65Å; Y68-H81 HydrophobicContact CE1-CB 3.85Å; Y68-H81 HydrophobicContact CG-CB 4.43Å
82L96.1Very high93.5Very high10 Ų1062.7 Ų62.75%0.05235%0.347CS..EExtended strand (participates in β ladder)trans-119131.1168.3-62.1147.6000106.6F58 Y66 L67 I84 V110 T117F58-L82 HydrophobicContact CE1-CD1 4.06Å; Y66-L82 WeakPolarHBondContact CA-O 3.4Å; L67-L82 HydrophobicContact CB-CB 4.31Å; L67-L82 HydrophobicContact CB-CD1 4.48Å; L67-L82 HydrophobicContact CD2-CD1 3.99Å; L67-L82 HydrophobicContact CG-CD1 4.5Å; L67-L82 PolarHBondContact N-O 2.87Å; L67-L82 PolarHBondContact O-N 3.14Å; L82-I84 HydrophobicContact CB-CD1 4.09Å; L82-I84 PolarHBondContact O-N 3.41Å; L82-V110 HydrophobicContact CD2-CG1 4.35Å; L82-T117 HydrophobicContact CD2-CG2 4.12Å; L82-T117 WeakPolarHBondContact CD2-OG1 3.45Å
83D95.6Very high92.6Very high41 Ų4163.4 Ų63.422%0.21936%0.358CS..EExtended strand (participates in β ladder)trans-79.4112.6173.6-171.6-20.2000108.3Y66 A85 D86 A87 S112Y66-D83 HydrophobicContact CD1-CB 4.22Å; Y66-D83 HydrophobicContact CE1-CB 3.9Å; D83-A85 WeakPolarHBondContact OD1-CB 3.25Å; D83-A85 PolarHBondContact OD1-N 2.88Å; D83-D86 WeakPolarHBondContact CB-OD1 3.33Å; D83-A87 VanDerWaalsContact O-CB 3.25Å; D83-A87 WeakPolarHBondContact O-CB 3.01Å; D83-A87 PolarHBondContact O-N 2.85Å; D83-S112 WeakPolarHBondContact CB-OG 3.4Å; D83-S112 PolarHBondContact N-OG 3.05Å; D83-S112 WeakPolarHBondContact O-CB 3.42Å; D83-S112 PolarHBondContact O-OG 3.37Å
84I96.1Very high91.5Very high0 Ų070.8 Ų70.80%038%0.382CS..SBendtrans-87-19.9-176.2-56-56000111.3F60 C65 L67 L82 D86 A87 F89 L134 R138F60-I84 HydrophobicContact CD2-CG1 4.41Å; F60-I84 HydrophobicContact CE2-CB 4.18Å; F60-I84 HydrophobicContact CE2-CG1 4.07Å; F60-I84 HydrophobicContact CE2-CG2 4.34Å; C65-I84 WeakPolarHBondContact O-CA 3.11Å; C65-I84 VanDerWaalsContact O-CB 3.24Å; C65-I84 WeakPolarHBondContact O-CB 3.38Å; C65-I84 PolarHBondContact O-N 2.99Å; L67-I84 HydrophobicContact CB-CD1 3.8Å; L67-I84 HydrophobicContact CB-CG1 3.77Å; L67-I84 HydrophobicContact CD2-CD1 4.47Å; L82-I84 HydrophobicContact CB-CD1 4.09Å; L82-I84 PolarHBondContact O-N 3.41Å; I84-D86 VanDerWaalsContact C-N 3.32Å; I84-D86 PolarHBondContact O-N 3.48Å; I84-A87 HydrophobicContact CD1-CB 4.43Å; I84-A87 PolarHBondContact O-N 2.94Å; I84-F89 HydrophobicContact CD1-CZ 4.31Å; I84-F89 HydrophobicContact CG2-CZ 4.11Å; I84-L134 HydrophobicContact CD1-CD2 4.23Å; I84-L134 HydrophobicContact CG1-CD2 4.31Å; I84-L134 HydrophobicContact CG2-CD2 4.47Å; I84-R138 HydrophobicContact CG2-CB 4.11Å; I84-R138 VanDerWaalsContact O-CD 3.29Å; I84-R138 WeakPolarHBondContact O-CD 3.49Å; I84-R138 VanDerWaalsContact O-CG 3.31Å; I84-R138 WeakPolarHBondContact O-CG 3.24Å
85A94.1Very high90.3Very high23 Ų2368.5 Ų68.519%0.1937%0.374CS..SBendtrans-64.5-40-179.800000111.2C65 D83 R138 Y141C65-A85 HydrophobicContact CB-CB 4.07Å; D83-A85 WeakPolarHBondContact OD1-CB 3.25Å; D83-A85 PolarHBondContact OD1-N 2.88Å; A85-R138 PolarHBondContact O-NE 2.89Å; A85-R138 PolarHBondContact O-NH2 3.4Å; A85-Y141 HydrophobicContact CB-CD1 3.78Å; A85-Y141 HydrophobicContact CB-CE1 3.75Å
86D92Very high89Confident73 Ų7375 Ų7539%0.3940%0.403SS..SBendtrans-94.9-8.5177.680.2-18000114D83 I84 S112 A113D83-D86 WeakPolarHBondContact CB-OD1 3.33Å; I84-D86 VanDerWaalsContact C-N 3.32Å; I84-D86 PolarHBondContact O-N 3.48Å; D86-S112 PolarHBondContact OD1-OG 3.14Å; D86-A113 PolarHBondContact OD2-N 2.84Å
87A96.2Very high87.8Confident0 Ų074.3 Ų74.30%040%0.397CS..  trans-68.1136.7-170.600000114.7D83 I84 F89 V110 H111 R138D83-A87 VanDerWaalsContact O-CB 3.25Å; D83-A87 WeakPolarHBondContact O-CB 3.01Å; D83-A87 PolarHBondContact O-N 2.85Å; I84-A87 HydrophobicContact CD1-CB 4.43Å; I84-A87 PolarHBondContact O-N 2.94Å; A87-F89 HydrophobicContact CB-CE1 4.47Å; A87-F89 HydrophobicContact CB-CE2 4.35Å; A87-F89 HydrophobicContact CB-CZ 3.99Å; A87-V110 HydrophobicContact CB-CG1 3.89Å; A87-H111 CarbonylContact C-O 3.52Å; A87-H111 WeakPolarHBondContact CA-O 3.36Å; A87-R138 PolarHBondContact O-NH1 2.93Å
88C94.9Very high86.4Confident72 Ų7269.7 Ų69.749%0.48638%0.38SS..EExtended strand (participates in β ladder)trans-104.1139.6164-68.70000111H111C88-H111 HydrophobicContact CB-CB 4.28Å; C88-H111 PolarHBondContact N-O 2.99Å; C88-H111 PolarHBondContact O-N 3.49Å
89F95.9Very high85.1Confident40 Ų4074.4 Ų74.418%0.17540%0.397CS..EExtended strand (participates in β ladder)trans-108.6133.1-179.5-56.3-79.7000110.6I84 A87 Q109 V110 L131 L134 Q135I84-F89 HydrophobicContact CD1-CZ 4.31Å; I84-F89 HydrophobicContact CG2-CZ 4.11Å; A87-F89 HydrophobicContact CB-CE1 4.47Å; A87-F89 HydrophobicContact CB-CE2 4.35Å; A87-F89 HydrophobicContact CB-CZ 3.99Å; F89-Q109 WeakPolarHBondContact CA-O 3.35Å; F89-V110 HydrophobicContact CD1-CB 4.45Å; F89-V110 HydrophobicContact CD1-CG1 4.27Å; F89-V110 HydrophobicContact CD1-CG2 3.92Å; F89-V110 HydrophobicContact CE1-CB 4.36Å; F89-V110 HydrophobicContact CE1-CG1 3.8Å; F89-V110 HydrophobicContact CE1-CG2 3.86Å; F89-L131 HydrophobicContact CB-CD2 3.75Å; F89-L131 HydrophobicContact CD1-CD2 4.18Å; F89-L131 HydrophobicContact CG-CD2 4.15Å; F89-L134 HydrophobicContact CE1-CB 3.97Å; F89-L134 HydrophobicContact CE1-CD1 3.77Å; F89-L134 HydrophobicContact CE1-CG 4.47Å; F89-L134 HydrophobicContact CE2-CB 4.17Å; F89-L134 HydrophobicContact CZ-CB 3.59Å; F89-L134 HydrophobicContact CZ-CD1 4.21Å; F89-L134 HydrophobicContact CZ-CG 4.45Å; F89-Q135 HydrophobicContact CD2-CG 3.81Å; F89-Q135 HydrophobicContact CE2-CG 4.19Å
90S94Very high83.6Confident45 Ų4576.7 Ų76.732%0.31542%0.417SS..EExtended strand (participates in β ladder)trans-132.4145.6172.167.30000111.2F108 Q109 H111S90-F108 CarbonylContact O-C 3.58Å; S90-F108 WeakPolarHBondContact O-CA 3.24Å; S90-Q109 PolarHBondContact N-O 3.12Å; S90-Q109 PolarHBondContact O-N 2.81Å; S90-Q109 WeakPolarHBondContact OG-CB 3.31Å; S90-H111 PolarHBondContact OG-NE2 3.45Å
91Y91.8Very high82.3Confident142 Ų14279.6 Ų79.656%0.55745%0.447SS*.EExtended strand (participates in β ladder)trans-146.6154.1174.468-82.9000108.7G93 M127 L131Y91-G93 PolarHBondContact O-N 2.8Å; Y91-M127 HydrophobicContact CD2-CE 4.18Å; Y91-L131 HydrophobicContact CD1-CD1 3.72Å; Y91-L131 HydrophobicContact CE1-CD1 4.24Å; Y91-L131 HydrophobicContact CG-CD1 4.07Å
92Q84.6Confident81Confident121 Ų12177.9 Ų77.957%0.56545%0.45SS*.  trans-79.7123.7174.2-165.6153.1-8.300108.4P105Q92-P105 HydrophobicContact CB-CB 4.48Å; Q92-P105 HydrophobicContact CB-CG 4.4Å; Q92-P105 WeakPolarHBondContact O-CG 3.44Å
93G71.8Confident79.8Confident41 Ų4184.7 Ų84.742%0.42349%0.486SS..  trans-60163.8173.700000111.2Y91 D95Y91-G93 PolarHBondContact O-N 2.8Å; G93-D95 PolarHBondContact O-N 3.39Å
94R68.4Low78.9Confident184 Ų18485.2 Ų85.269%0.69449%0.492SS*.  trans-57.5114.6167.9-175.4-179.3-165.6168.45.2106.7E96R94-E96 PolarHBondContact O-N 3.04Å
95D66Low78.2Confident88 Ų8886.8 Ų86.847%0.47150%0.502SS..  trans-72.6114.5176.4-170.3-6.2000107.3G93 A97 A98G93-D95 PolarHBondContact O-N 3.39Å; D95-A97 PolarHBondContact O-N 3.43Å; D95-A97 WeakPolarHBondContact OD1-CB 3.41Å; D95-A97 PolarHBondContact OD1-N 2.87Å; D95-A98 HydrophobicContact CB-CB 3.85Å; D95-A98 WeakPolarHBondContact O-CB 3.08Å; D95-A98 PolarHBondContact O-N 3.35Å; D95-A98 VanDerWaalsContact O-N 3.14Å
96E65.4Low78.1Confident195 Ų19586.8 Ų86.891%0.91150%0.5SS*.THydrogen-bonded Turntrans-70-16.7178.2-60.5-156.9156.900111.8R94R94-E96 PolarHBondContact O-N 3.04Å
97A64.8Low78.2Confident84 Ų8486 Ų8669%0.69449%0.493SS*.THydrogen-bonded Turntrans-91.7-1.9172.200000113.1D95D95-A97 PolarHBondContact O-N 3.43Å; D95-A97 WeakPolarHBondContact OD1-CB 3.41Å; D95-A97 PolarHBondContact OD1-N 2.87Å
98A64Low78.2Confident45 Ų4586 Ų8637%0.37249%0.493SS..SBendtrans-71.7140.6174.800000111D95 A102D95-A98 HydrophobicContact CB-CB 3.85Å; D95-A98 WeakPolarHBondContact O-CB 3.08Å; D95-A98 PolarHBondContact O-N 3.35Å; D95-A98 VanDerWaalsContact O-N 3.14Å; A98-A102 HydrophobicContact CB-CB 4.38Å
99E69.7Low78.3Confident156 Ų15685.7 Ų85.773%0.72949%0.485SS*.  trans-46.9132.4179.5-65.8-65.9116.800111.3G101 A102E99-G101 PolarHBondContact O-N 2.68Å; E99-A102 PolarHBondContact O-N 3Å
100P63Low78.4Confident135 Ų13583.8 Ų83.888%0.87748%0.476SS*.THydrogen-bonded Turntrans-60.9101.1176.423-30.4000109.5
101G68.1Low78.5Confident79 Ų7984.9 Ų84.981%0.81448%0.476SS*.THydrogen-bonded Turntrans129-9.1-175.600000114.8E99 D103E99-G101 PolarHBondContact O-N 2.68Å; G101-D103 PolarHBondContact O-N 3.1Å
102A68.4Low78.6Confident61 Ų6178.6 Ų78.650%0.50445%0.453SS..PPolyproline II helixtrans-66.3130170.800000110.7A98 E99A98-A102 HydrophobicContact CB-CB 4.38Å; E99-A102 PolarHBondContact O-N 3Å
103D70.8Confident78.8Confident153 Ų15376.8 Ų76.882%0.81846%0.459SS*.PPolyproline II helixtrans-58.2131.9174.9-75.9-41.4000109.8G101G101-D103 PolarHBondContact O-N 3.1Å
104P76.7Confident79.5Confident52 Ų5279.2 Ų79.234%0.33848%0.484SS..PPolyproline II helixtrans-61.2147.5179.625.9-33.7000110.3T106 R124P104-T106 WeakPolarHBondContact O-CG2 3.29Å; P104-T106 PolarHBondContact O-N 3.41Å; P104-T106 VanDerWaalsContact O-N 3.12Å; P104-R124 HydrophobicContact CG-CB 4.4Å
105P82Confident80.6Confident33 Ų3373.1 Ų73.121%0.21447%0.473CS..PPolyproline II helixtrans-60122.3177.324.1-32.3000109.9Q92Q92-P105 HydrophobicContact CB-CB 4.48Å; Q92-P105 HydrophobicContact CB-CG 4.4Å; Q92-P105 WeakPolarHBondContact O-CG 3.44Å
106T91.8Very high82Confident23 Ų2372.8 Ų72.814%0.14147%0.474CS..  trans-10518.8176.966.70000112.6P104 K120 A121P104-T106 WeakPolarHBondContact O-CG2 3.29Å; P104-T106 PolarHBondContact O-N 3.41Å; P104-T106 VanDerWaalsContact O-N 3.12Å; T106-K120 WeakPolarHBondContact O-CA 3.32Å; T106-K120 VanDerWaalsContact OG1-CE 3.29Å; T106-K120 WeakPolarHBondContact OG1-CE 3.26Å; T106-A121 WeakPolarHBondContact CB-O 3.17Å; T106-A121 PolarHBondContact O-N 3.4Å; T106-A121 PolarHBondContact OG1-O 3.34Å; T106-A121 VanDerWaalsContact OG1-O 3.1Å
107H94.1Very high83.5Confident57 Ų5764.3 Ų64.326%0.26444%0.436SS..EExtended strand (participates in β ladder)trans-122148.7-178.473-80.2000111.9L119 K120H107-L119 CarbonylContact C-O 3.52Å; H107-L119 WeakPolarHBondContact CA-O 3.39Å; H107-L119 WeakPolarHBondContact CB-O 3.37Å; H107-K120 HydrophobicContact CB-CB 3.95Å; H107-K120 HydrophobicContact CB-CG 4.29Å
108F95.9Very high85Confident0 Ų061.3 Ų61.30%041%0.409CS..EExtended strand (participates in β ladder)trans-139.2162.5179.366-79000109.7L41 S90 V110 L119 M127 W130 L131 L134L41-F108 HydrophobicContact CD1-CE1 4.39Å; L41-F108 HydrophobicContact CD1-CZ 4.06Å; S90-F108 CarbonylContact O-C 3.58Å; S90-F108 WeakPolarHBondContact O-CA 3.24Å; F108-V110 HydrophobicContact CD2-CG2 4.01Å; F108-V110 HydrophobicContact CE2-CG2 3.73Å; F108-L119 HydrophobicContact CD1-CB 4.14Å; F108-L119 WeakPolarHBondContact CD1-O 3.35Å; F108-L119 HydrophobicContact CD2-CB 4.48Å; F108-L119 HydrophobicContact CE1-CB 3.67Å; F108-L119 HydrophobicContact CE2-CB 4.03Å; F108-L119 HydrophobicContact CE2-CD1 3.8Å; F108-L119 HydrophobicContact CE2-CG 4.37Å; F108-L119 HydrophobicContact CZ-CB 3.62Å; F108-L119 HydrophobicContact CZ-CD1 3.66Å; F108-L119 HydrophobicContact CZ-CG 4.22Å; F108-L119 PolarHBondContact N-O 3.25Å; F108-L119 PolarHBondContact O-N 3.29Å; F108-L119 VanDerWaalsContact O-O 3.07Å; F108-M127 HydrophobicContact CB-CG 4.43Å; F108-M127 HydrophobicContact CD1-CG 3.76Å; F108-M127 HydrophobicContact CE1-CG 4.45Å; F108-M127 HydrophobicContact CG-CG 4.44Å; F108-W130 HydrophobicContact CZ-CB 4.25Å; F108-L131 HydrophobicContact CB-CD1 4.29Å; F108-L131 HydrophobicContact CB-CD2 4.06Å; F108-L131 HydrophobicContact CB-CG 4.43Å; F108-L131 HydrophobicContact CD2-CD2 3.7Å; F108-L131 HydrophobicContact CD2-CG 4.35Å; F108-L131 HydrophobicContact CE2-CD2 4.33Å; F108-L131 HydrophobicContact CG-CD2 4Å; F108-L131 HydrophobicContact CG-CG 4.31Å; F108-L134 HydrophobicContact CE2-CD1 4.41Å
109Q96.9Very high86.5Confident65 Ų6559.1 Ų59.130%0.30439%0.391SS..EExtended strand (participates in β ladder)trans-117138.8-179.8-48.4-178.42.900109.4F89 S90 H111 V116 T117 V118F89-Q109 WeakPolarHBondContact CA-O 3.35Å; S90-Q109 PolarHBondContact N-O 3.12Å; S90-Q109 PolarHBondContact O-N 2.81Å; S90-Q109 WeakPolarHBondContact OG-CB 3.31Å; Q109-H111 PolarHBondContact OE1-NE2 2.96Å; Q109-H111 VanDerWaalsContact OE1-NE2 3.11Å; Q109-V116 HydrophobicContact CB-CG1 4.04Å; Q109-T117 CarbonylContact C-O 3.56Å; Q109-T117 WeakPolarHBondContact CA-O 3.14Å; Q109-V118 HydrophobicContact CG-CG2 4.25Å
110V97.3Very high87.8Confident0 Ų055.2 Ų55.20%037%0.372CS..EExtended strand (participates in β ladder)trans-112.9116.1172.9-1720000107.2L82 A87 F89 F108 T117 L119L82-V110 HydrophobicContact CD2-CG1 4.35Å; A87-V110 HydrophobicContact CB-CG1 3.89Å; F89-V110 HydrophobicContact CD1-CB 4.45Å; F89-V110 HydrophobicContact CD1-CG1 4.27Å; F89-V110 HydrophobicContact CD1-CG2 3.92Å; F89-V110 HydrophobicContact CE1-CB 4.36Å; F89-V110 HydrophobicContact CE1-CG1 3.8Å; F89-V110 HydrophobicContact CE1-CG2 3.86Å; F108-V110 HydrophobicContact CD2-CG2 4.01Å; F108-V110 HydrophobicContact CE2-CG2 3.73Å; V110-T117 PolarHBondContact N-O 3.15Å; V110-T117 PolarHBondContact O-N 3.32Å; V110-L119 HydrophobicContact CG2-CD1 3.96Å; V110-L119 HydrophobicContact CG2-CG 4.48Å
111H96.8Very high89.3Confident68 Ų6848.9 Ų48.932%0.31533%0.33SS..EExtended strand (participates in β ladder)trans-101.8107.9178.2-64.1-109.3000107.6A87 C88 S90 Q109 A115 V116A87-H111 CarbonylContact C-O 3.52Å; A87-H111 WeakPolarHBondContact CA-O 3.36Å; C88-H111 HydrophobicContact CB-CB 4.28Å; C88-H111 PolarHBondContact N-O 2.99Å; C88-H111 PolarHBondContact O-N 3.49Å; S90-H111 PolarHBondContact OG-NE2 3.45Å; Q109-H111 PolarHBondContact OE1-NE2 2.96Å; Q109-H111 VanDerWaalsContact OE1-NE2 3.11Å; H111-A115 WeakPolarHBondContact CA-O 3.36Å; H111-V116 VanDerWaalsContact ND1-CG2 3.32Å; H111-V116 WeakPolarHBondContact ND1-CG2 3.42Å
112S94.8Very high90.3Very high10 Ų1048.7 Ų48.77%0.0732%0.315CS..EExtended strand (participates in β ladder)trans-147.5144.8-176.2168.90000109.8D83 D86 G114 A115D83-S112 WeakPolarHBondContact CB-OG 3.4Å; D83-S112 PolarHBondContact N-OG 3.05Å; D83-S112 WeakPolarHBondContact O-CB 3.42Å; D83-S112 PolarHBondContact O-OG 3.37Å; D86-S112 PolarHBondContact OD1-OG 3.14Å; S112-G114 PolarHBondContact O-N 3Å; S112-A115 PolarHBondContact N-O 2.85Å; S112-A115 PolarHBondContact O-N 3.41Å; S112-A115 VanDerWaalsContact O-O 3.11Å
113A88.9Confident91.4Very high83 Ų8348.2 Ų48.269%0.68630%0.304SS*.THydrogen-bonded Turntrans49.134179.500000114.3D86 A115D86-A113 PolarHBondContact OD2-N 2.84Å; A113-A115 VanDerWaalsContact C-N 3.28Å; A113-A115 PolarHBondContact O-N 2.93Å
114G86.2Confident92.3Very high92 Ų9246.3 Ų46.395%0.94829%0.285SS*.THydrogen-bonded Turntrans74.48.2-178.500000115.6S112S112-G114 PolarHBondContact O-N 3Å
115A91.3Very high93Very high57 Ų5750.2 Ų50.247%0.47130%0.299SS..EExtended strand (participates in β ladder)trans-116.5149.5177.100000111.9H111 S112 A113H111-A115 WeakPolarHBondContact CA-O 3.36Å; S112-A115 PolarHBondContact N-O 2.85Å; S112-A115 PolarHBondContact O-N 3.41Å; S112-A115 VanDerWaalsContact O-O 3.11Å; A113-A115 VanDerWaalsContact C-N 3.28Å; A113-A115 PolarHBondContact O-N 2.93Å
116V95.3Very high93.5Very high80 Ų8048.8 Ų48.849%0.48529%0.289SS..EExtended strand (participates in β ladder)trans-108117.8176.4-171.20000109.8Q109 H111Q109-V116 HydrophobicContact CB-CG1 4.04Å; H111-V116 VanDerWaalsContact ND1-CG2 3.32Å; H111-V116 WeakPolarHBondContact ND1-CG2 3.42Å
117T95.9Very high93.6Very high18 Ų1847.9 Ų47.911%0.1128%0.283CS..EExtended strand (participates in β ladder)trans-106.4120.7173.9-65.70000110K43 L82 Q109 V110 L119K43-T117 HydrophobicContact CD-CG2 4.17Å; K43-T117 HydrophobicContact CG-CG2 3.97Å; L82-T117 HydrophobicContact CD2-CG2 4.12Å; L82-T117 WeakPolarHBondContact CD2-OG1 3.45Å; Q109-T117 CarbonylContact C-O 3.56Å; Q109-T117 WeakPolarHBondContact CA-O 3.14Å; V110-T117 PolarHBondContact N-O 3.15Å; V110-T117 PolarHBondContact O-N 3.32Å; T117-L119 HydrophobicContact CG2-CD2 3.7Å; T117-L119 HydrophobicContact CG2-CG 4.09Å
118V96.4Very high93.6Very high20 Ų2047.4 Ų47.412%0.12129%0.285CS..EExtended strand (participates in β ladder)trans-93122.8175.6-171.90000109.5L44 Y53 Q109L44-V118 HydrophobicContact CB-CB 3.87Å; L44-V118 HydrophobicContact CD2-CB 3.91Å; L44-V118 HydrophobicContact CD2-CG1 4.36Å; L44-V118 HydrophobicContact CD2-CG2 4.04Å; L44-V118 PolarHBondContact N-O 3.26Å; Y53-V118 HydrophobicContact CE1-CG1 4.45Å; Q109-V118 HydrophobicContact CG-CG2 4.25Å
119L97.1Very high93.5Very high0 Ų049.2 Ų49.20%029%0.292CS..EExtended strand (participates in β ladder)trans-116.9138.2178.9-59.3-176.8000109.7L41 Q42 K43 F58 H107 F108 V110 T117L41-L119 HydrophobicContact CD1-CD1 4.1Å; Q42-L119 CarbonylContact O-C 3.52Å; Q42-L119 WeakPolarHBondContact O-CA 3.32Å; K43-L119 HydrophobicContact CB-CD2 3.83Å; K43-L119 HydrophobicContact CG-CD2 3.82Å; F58-L119 HydrophobicContact CE1-CD1 4.24Å; F58-L119 HydrophobicContact CE1-CD2 4.08Å; F58-L119 HydrophobicContact CE2-CD2 4.24Å; F58-L119 HydrophobicContact CZ-CD1 4.33Å; F58-L119 HydrophobicContact CZ-CD2 3.5Å; F58-L119 VanDerWaalsContact CZ-CD2 3.5Å; H107-L119 CarbonylContact C-O 3.52Å; H107-L119 WeakPolarHBondContact CA-O 3.39Å; H107-L119 WeakPolarHBondContact CB-O 3.37Å; F108-L119 HydrophobicContact CD1-CB 4.14Å; F108-L119 WeakPolarHBondContact CD1-O 3.35Å; F108-L119 HydrophobicContact CD2-CB 4.48Å; F108-L119 HydrophobicContact CE1-CB 3.67Å; F108-L119 HydrophobicContact CE2-CB 4.03Å; F108-L119 HydrophobicContact CE2-CD1 3.8Å; F108-L119 HydrophobicContact CE2-CG 4.37Å; F108-L119 HydrophobicContact CZ-CB 3.62Å; F108-L119 HydrophobicContact CZ-CD1 3.66Å; F108-L119 HydrophobicContact CZ-CG 4.22Å; F108-L119 PolarHBondContact N-O 3.25Å; F108-L119 PolarHBondContact O-N 3.29Å; F108-L119 VanDerWaalsContact O-O 3.07Å; V110-L119 HydrophobicContact CG2-CD1 3.96Å; V110-L119 HydrophobicContact CG2-CG 4.48Å; T117-L119 HydrophobicContact CG2-CD2 3.7Å; T117-L119 HydrophobicContact CG2-CG 4.09Å
120K95.4Very high93.5Very high74 Ų7446.1 Ų46.132%0.32228%0.277SS..EExtended strand (participates in β ladder)trans-120.5130175.8176.5178.8179.2-1750109.7Q42 Y53 T106 H107Q42-K120 HydrophobicContact CB-CB 4.03Å; Q42-K120 WeakPolarHBondContact CB-O 3.41Å; Q42-K120 PolarHBondContact N-O 3.4Å; Q42-K120 PolarHBondContact O-N 2.95Å; Y53-K120 HydrophobicContact CD1-CB 3.98Å; Y53-K120 HydrophobicContact CE1-CB 3.56Å; Y53-K120 HydrophobicContact CE2-CD 4.45Å; T106-K120 WeakPolarHBondContact O-CA 3.32Å; T106-K120 VanDerWaalsContact OG1-CE 3.29Å; T106-K120 WeakPolarHBondContact OG1-CE 3.26Å; H107-K120 HydrophobicContact CB-CB 3.95Å; H107-K120 HydrophobicContact CB-CG 4.29Å
121A94.5Very high93.4Very high1 Ų146.6 Ų46.61%0.00828%0.28CS..  trans-92.8158.317300000110.7L41 T106 N123 L126 M127L41-A121 HydrophobicContact CD2-CB 3.91Å; T106-A121 WeakPolarHBondContact CB-O 3.17Å; T106-A121 PolarHBondContact O-N 3.4Å; T106-A121 PolarHBondContact OG1-O 3.34Å; T106-A121 VanDerWaalsContact OG1-O 3.1Å; A121-N123 VanDerWaalsContact C-N 3.28Å; A121-N123 PolarHBondContact O-N 3.39Å; A121-L126 HydrophobicContact CB-CB 4.18Å; A121-L126 HydrophobicContact CB-CD2 4.41Å; A121-M127 HydrophobicContact CB-CB 3.81Å
122P90.6Very high93.3Very high75 Ų7548.6 Ų48.649%0.48729%0.289SS..SBendtrans-60.5-35.9175.7-21.834.8000113.1L126P122-L126 HydrophobicContact CG-CD2 3.91Å
123N90.1Very high93.4Very high52 Ų5250.5 Ų50.528%0.27830%0.297SS..SBendtrans-143.6171.3179.16430.6000111A121 E125 L126 M127A121-N123 VanDerWaalsContact C-N 3.28Å; A121-N123 PolarHBondContact O-N 3.39Å; N123-E125 PolarHBondContact OD1-N 2.82Å; N123-L126 WeakPolarHBondContact OD1-CB 3.12Å; N123-L126 PolarHBondContact OD1-N 2.97Å; N123-M127 PolarHBondContact O-N 3.36Å
124R90.1Very high93.7Very high113 Ų11346.6 Ų46.643%0.42627%0.265SS..Hα-helixtrans-68.3-35.6-178.3-177.4-178.8173.2-172.6-3.6112.7P104 M127 T128P104-R124 HydrophobicContact CG-CB 4.4Å; R124-M127 HydrophobicContact CG-CE 4.34Å; R124-M127 WeakPolarHBondContact O-CB 3.4Å; R124-M127 PolarHBondContact O-N 3.1Å; R124-T128 WeakPolarHBondContact O-CB 3.36Å; R124-T128 PolarHBondContact O-N 3.48Å; R124-T128 PolarHBondContact O-OG1 3.39Å
125E91.8Very high94.2Very high134 Ų13447.2 Ų47.263%0.62624%0.243SC*.Hα-helixtrans-61.4-49.5178.7-67.3169.6-173.400110.5N123 M127 T128 Y129N123-E125 PolarHBondContact OD1-N 2.82Å; E125-M127 VanDerWaalsContact C-N 3.34Å; E125-M127 PolarHBondContact O-N 2.94Å; E125-T128 PolarHBondContact O-N 2.84Å; E125-T128 VanDerWaalsContact O-N 3.15Å; E125-Y129 WeakPolarHBondContact O-CB 3.38Å; E125-Y129 PolarHBondContact O-N 3.26Å
126L92.4Very high94.3Very high2 Ų248.2 Ų48.21%0.0124%0.238CC..Hα-helixtrans-63.5-40.9177.7-158.378.4000111.4A121 P122 N123 T128 Y129 W130 P195 L198 V199A121-L126 HydrophobicContact CB-CB 4.18Å; A121-L126 HydrophobicContact CB-CD2 4.41Å; P122-L126 HydrophobicContact CG-CD2 3.91Å; N123-L126 WeakPolarHBondContact OD1-CB 3.12Å; N123-L126 PolarHBondContact OD1-N 2.97Å; L126-T128 VanDerWaalsContact C-N 3.31Å; L126-T128 PolarHBondContact O-N 3.03Å; L126-Y129 PolarHBondContact O-N 3.45Å; L126-W130 PolarHBondContact O-N 3.38Å; L126-P195 HydrophobicContact CD1-CB 4.42Å; L126-P195 HydrophobicContact CD1-CG 4.4Å; L126-L198 HydrophobicContact CD1-CB 3.67Å; L126-L198 HydrophobicContact CD1-CD1 4.44Å; L126-L198 HydrophobicContact CD2-CB 4.43Å; L126-V199 HydrophobicContact CD1-CG2 3.33Å; L126-V199 HydrophobicContact CG-CG2 4.35Å
127M94.6Very high94.2Very high4 Ų446 Ų462%0.0222%0.222CC..Hα-helixtrans-55.9-48.9173.4-178.4-171.37800111.1Y91 F108 A121 N123 R124 E125 W130 L131Y91-M127 HydrophobicContact CD2-CE 4.18Å; F108-M127 HydrophobicContact CB-CG 4.43Å; F108-M127 HydrophobicContact CD1-CG 3.76Å; F108-M127 HydrophobicContact CE1-CG 4.45Å; F108-M127 HydrophobicContact CG-CG 4.44Å; A121-M127 HydrophobicContact CB-CB 3.81Å; N123-M127 PolarHBondContact O-N 3.36Å; R124-M127 HydrophobicContact CG-CE 4.34Å; R124-M127 WeakPolarHBondContact O-CB 3.4Å; R124-M127 PolarHBondContact O-N 3.1Å; E125-M127 VanDerWaalsContact C-N 3.34Å; E125-M127 PolarHBondContact O-N 2.94Å; M127-W130 PolarHBondContact O-N 2.95Å; M127-L131 HydrophobicContact CE-CD1 4.45Å; M127-L131 HydrophobicContact CG-CD1 4.13Å; M127-L131 WeakPolarHBondContact O-CG 3.15Å; M127-L131 PolarHBondContact O-N 3.15Å
128T93.4Very high94.2Very high47 Ų4748.9 Ų48.929%0.28823%0.231SC..Hα-helixtrans-65.8-42.3-177.4-53.10000110.7R124 E125 L126 L131 Q132R124-T128 WeakPolarHBondContact O-CB 3.36Å; R124-T128 PolarHBondContact O-N 3.48Å; R124-T128 PolarHBondContact O-OG1 3.39Å; E125-T128 PolarHBondContact O-N 2.84Å; E125-T128 VanDerWaalsContact O-N 3.15Å; L126-T128 VanDerWaalsContact C-N 3.31Å; L126-T128 PolarHBondContact O-N 3.03Å; T128-L131 PolarHBondContact O-N 2.94Å; T128-Q132 HydrophobicContact CG2-CG 4.44Å; T128-Q132 WeakPolarHBondContact O-CB 3.3Å; T128-Q132 VanDerWaalsContact O-CG 3.3Å; T128-Q132 WeakPolarHBondContact O-CG 3.21Å; T128-Q132 PolarHBondContact O-N 3.43Å
129Y94.6Very high94Very high39 Ų3955.3 Ų55.315%0.15325%0.253CS..Hα-helixtrans-58-49.4174.6172.3-90.1000111.9L37 E125 L126 L131 Q132 E133 A194 V199L37-Y129 HydrophobicContact CD1-CE1 3.69Å; E125-Y129 WeakPolarHBondContact O-CB 3.38Å; E125-Y129 PolarHBondContact O-N 3.26Å; L126-Y129 PolarHBondContact O-N 3.45Å; Y129-L131 VanDerWaalsContact C-N 3.32Å; Y129-L131 PolarHBondContact O-N 3.44Å; Y129-Q132 PolarHBondContact O-N 3.37Å; Y129-E133 HydrophobicContact CD1-CG 4.4Å; Y129-E133 HydrophobicContact CD2-CG 4.3Å; Y129-E133 HydrophobicContact CE1-CG 3.85Å; Y129-E133 HydrophobicContact CE2-CG 3.77Å; Y129-E133 WeakPolarHBondContact O-CB 3.38Å; Y129-E133 WeakPolarHBondContact O-CG 3.35Å; Y129-E133 PolarHBondContact O-N 3.17Å; Y129-A194 HydrophobicContact CE2-CB 4.37Å; Y129-V199 HydrophobicContact CD1-CG1 4.46Å; Y129-V199 HydrophobicContact CD1-CG2 3.86Å; Y129-V199 HydrophobicContact CE1-CB 4Å; Y129-V199 HydrophobicContact CE1-CG1 3.52Å; Y129-V199 HydrophobicContact CE1-CG2 3.69Å
130W95.9Very high93.8Very high0 Ų058.8 Ų58.80%027%0.269CS..Hα-helixtrans-59.6-43.2176.5-87102.4000112.1L37 L41 F58 L67 F108 L126 M127 L134L37-W130 HydrophobicContact CD1-CD2 4.26Å; L37-W130 HydrophobicContact CD1-CE3 3.85Å; L37-W130 HydrophobicContact CD1-CH2 4.1Å; L37-W130 HydrophobicContact CD1-CZ2 4.49Å; L37-W130 HydrophobicContact CD1-CZ3 3.77Å; L37-W130 HydrophobicContact CD2-CE3 3.92Å; L37-W130 HydrophobicContact CD2-CZ3 3.71Å; L37-W130 HydrophobicContact CG-CE3 3.96Å; L37-W130 HydrophobicContact CG-CH2 3.98Å; L37-W130 HydrophobicContact CG-CZ3 3.48Å; L37-W130 VanDerWaalsContact CG-CZ3 3.48Å; L41-W130 HydrophobicContact CD1-CD2 3.81Å; L41-W130 HydrophobicContact CD1-CE3 4.26Å; L41-W130 HydrophobicContact CD1-CG 4.07Å; L41-W130 HydrophobicContact CD1-CZ2 4.17Å; L41-W130 HydrophobicContact CD2-CG 4.4Å; L41-W130 HydrophobicContact CG-CD2 4.49Å; L41-W130 HydrophobicContact CG-CZ2 4.32Å; F58-W130 HydrophobicContact CB-CH2 3.86Å; F58-W130 HydrophobicContact CB-CZ2 4.44Å; F58-W130 HydrophobicContact CB-CZ3 4.49Å; L67-W130 HydrophobicContact CD1-CH2 4.44Å; L67-W130 HydrophobicContact CD1-CZ3 3.88Å; L67-W130 HydrophobicContact CD2-CZ3 4.43Å; F108-W130 HydrophobicContact CZ-CB 4.25Å; L126-W130 PolarHBondContact O-N 3.38Å; M127-W130 PolarHBondContact O-N 2.95Å; W130-L134 HydrophobicContact CE3-CD1 4.16Å; W130-L134 HydrophobicContact CE3-CG 4.25Å; W130-L134 VanDerWaalsContact O-CB 3.3Å; W130-L134 WeakPolarHBondContact O-CB 3.15Å; W130-L134 WeakPolarHBondContact O-CD1 3.45Å; W130-L134 WeakPolarHBondContact O-CG 3.45Å; W130-L134 PolarHBondContact O-N 3.39Å
131L95.6Very high93.7Very high9 Ų957.9 Ų57.95%0.04726%0.264CS..Hα-helixtrans-62.6-44.5177.5-74.5168.6000111.7F89 Y91 F108 M127 T128 Y129 Q135F89-L131 HydrophobicContact CB-CD2 3.75Å; F89-L131 HydrophobicContact CD1-CD2 4.18Å; F89-L131 HydrophobicContact CG-CD2 4.15Å; Y91-L131 HydrophobicContact CD1-CD1 3.72Å; Y91-L131 HydrophobicContact CE1-CD1 4.24Å; Y91-L131 HydrophobicContact CG-CD1 4.07Å; F108-L131 HydrophobicContact CB-CD1 4.29Å; F108-L131 HydrophobicContact CB-CD2 4.06Å; F108-L131 HydrophobicContact CB-CG 4.43Å; F108-L131 HydrophobicContact CD2-CD2 3.7Å; F108-L131 HydrophobicContact CD2-CG 4.35Å; F108-L131 HydrophobicContact CE2-CD2 4.33Å; F108-L131 HydrophobicContact CG-CD2 4Å; F108-L131 HydrophobicContact CG-CG 4.31Å; M127-L131 HydrophobicContact CE-CD1 4.45Å; M127-L131 HydrophobicContact CG-CD1 4.13Å; M127-L131 WeakPolarHBondContact O-CG 3.15Å; M127-L131 PolarHBondContact O-N 3.15Å; T128-L131 PolarHBondContact O-N 2.94Å; Y129-L131 VanDerWaalsContact C-N 3.32Å; Y129-L131 PolarHBondContact O-N 3.44Å; L131-Q135 WeakPolarHBondContact O-CB 3.5Å; L131-Q135 WeakPolarHBondContact O-CG 3.38Å; L131-Q135 PolarHBondContact O-N 2.77Å; L131-Q135 VanDerWaalsContact O-N 3.1Å; L131-Q135 PolarHBondContact O-NE2 3.05Å
132Q95.3Very high93.4Very high110 Ų11060.7 Ų60.751%0.51428%0.283SS..Hα-helixtrans-62.6-50.7178.8-73.91730.100110.8T128 Y129 L134 Q135 Q136T128-Q132 HydrophobicContact CG2-CG 4.44Å; T128-Q132 WeakPolarHBondContact O-CB 3.3Å; T128-Q132 VanDerWaalsContact O-CG 3.3Å; T128-Q132 WeakPolarHBondContact O-CG 3.21Å; T128-Q132 PolarHBondContact O-N 3.43Å; Y129-Q132 PolarHBondContact O-N 3.37Å; Q132-L134 PolarHBondContact O-N 2.78Å; Q132-Q135 PolarHBondContact O-N 3.25Å; Q132-Q136 VanDerWaalsContact O-CB 3.29Å; Q132-Q136 WeakPolarHBondContact O-CB 3.35Å; Q132-Q136 PolarHBondContact O-N 3.43Å
133E95.6Very high93.3Very high51 Ų5160.6 Ų60.624%0.23828%0.278CS..Hα-helixtrans-63.2-44.1-179.3-75.9-68.5114.500112.3L37 Y129 Q135 Q136 K137L37-E133 HydrophobicContact CD1-CB 3.86Å; L37-E133 HydrophobicContact CD1-CG 4.07Å; L37-E133 HydrophobicContact CD2-CB 3.77Å; L37-E133 HydrophobicContact CG-CB 4.4Å; Y129-E133 HydrophobicContact CD1-CG 4.4Å; Y129-E133 HydrophobicContact CD2-CG 4.3Å; Y129-E133 HydrophobicContact CE1-CG 3.85Å; Y129-E133 HydrophobicContact CE2-CG 3.77Å; Y129-E133 WeakPolarHBondContact O-CB 3.38Å; Y129-E133 WeakPolarHBondContact O-CG 3.35Å; Y129-E133 PolarHBondContact O-N 3.17Å; E133-Q135 PolarHBondContact O-N 3.41Å; E133-Q136 PolarHBondContact O-N 3.24Å; E133-K137 WeakPolarHBondContact O-CB 3.5Å; E133-K137 WeakPolarHBondContact O-CG 3.47Å; E133-K137 PolarHBondContact O-N 2.9Å
134L96.1Very high93.1Very high0 Ų060.9 Ų60.90%028%0.284CS..Hα-helixtrans-65.7-38.9179.6-69.2171.4000112.1L37 F60 L67 I84 F89 F108 W130 Q132 R138L37-L134 HydrophobicContact CD2-CD2 3.76Å; L37-L134 HydrophobicContact CD2-CG 4.15Å; F60-L134 HydrophobicContact CD2-CD2 4.31Å; L67-L134 HydrophobicContact CD1-CD2 4.32Å; L67-L134 HydrophobicContact CD2-CD1 4.29Å; L67-L134 HydrophobicContact CD2-CD2 4.07Å; I84-L134 HydrophobicContact CD1-CD2 4.23Å; I84-L134 HydrophobicContact CG1-CD2 4.31Å; I84-L134 HydrophobicContact CG2-CD2 4.47Å; F89-L134 HydrophobicContact CE1-CB 3.97Å; F89-L134 HydrophobicContact CE1-CD1 3.77Å; F89-L134 HydrophobicContact CE1-CG 4.47Å; F89-L134 HydrophobicContact CE2-CB 4.17Å; F89-L134 HydrophobicContact CZ-CB 3.59Å; F89-L134 HydrophobicContact CZ-CD1 4.21Å; F89-L134 HydrophobicContact CZ-CG 4.45Å; F108-L134 HydrophobicContact CE2-CD1 4.41Å; W130-L134 HydrophobicContact CE3-CD1 4.16Å; W130-L134 HydrophobicContact CE3-CG 4.25Å; W130-L134 VanDerWaalsContact O-CB 3.3Å; W130-L134 WeakPolarHBondContact O-CB 3.15Å; W130-L134 WeakPolarHBondContact O-CD1 3.45Å; W130-L134 WeakPolarHBondContact O-CG 3.45Å; W130-L134 PolarHBondContact O-N 3.39Å; Q132-L134 PolarHBondContact O-N 2.78Å; L134-R138 WeakPolarHBondContact O-CB 3.37Å; L134-R138 PolarHBondContact O-N 3.4Å
135Q95.7Very high92.6Very high105 Ų10559.7 Ų59.749%0.49129%0.286SS..Hα-helixtrans-65.9-44.1174.5-74.5172.69400111.3F89 L131 Q132 E133 R138 W139F89-Q135 HydrophobicContact CD2-CG 3.81Å; F89-Q135 HydrophobicContact CE2-CG 4.19Å; L131-Q135 WeakPolarHBondContact O-CB 3.5Å; L131-Q135 WeakPolarHBondContact O-CG 3.38Å; L131-Q135 PolarHBondContact O-N 2.77Å; L131-Q135 VanDerWaalsContact O-N 3.1Å; L131-Q135 PolarHBondContact O-NE2 3.05Å; Q132-Q135 PolarHBondContact O-N 3.25Å; E133-Q135 PolarHBondContact O-N 3.41Å; Q135-R138 PolarHBondContact O-N 3.02Å; Q135-W139 PolarHBondContact O-N 2.94Å
136Q93.9Very high91.3Very high79 Ų7956.9 Ų56.937%0.36928%0.275SS..Hα-helixtrans-60.2-47.1176.7-178.659.443.200110.8Q132 E133 R138 W139 E140Q132-Q136 VanDerWaalsContact O-CB 3.29Å; Q132-Q136 WeakPolarHBondContact O-CB 3.35Å; Q132-Q136 PolarHBondContact O-N 3.43Å; E133-Q136 PolarHBondContact O-N 3.24Å; Q136-R138 PolarHBondContact O-N 3.22Å; Q136-W139 PolarHBondContact O-N 2.81Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.49Å; Q136-E140 PolarHBondContact NE2-OE1 3.03Å; Q136-E140 WeakPolarHBondContact O-CG 3.35Å; Q136-E140 PolarHBondContact O-N 2.93Å
137K94.1Very high89.8Confident33 Ų3363.2 Ų63.214%0.14331%0.306CS..Hα-helixtrans-64.6-37.7178.2-68-67.3158.5-148.90113F60 E133 E140 Y141F60-K137 HydrophobicContact CD1-CD 4.09Å; F60-K137 HydrophobicContact CD1-CG 4.08Å; F60-K137 HydrophobicContact CE1-CB 3.73Å; F60-K137 HydrophobicContact CE1-CD 3.61Å; F60-K137 HydrophobicContact CE1-CG 3.68Å; F60-K137 HydrophobicContact CE2-CB 4.08Å; F60-K137 HydrophobicContact CZ-CB 3.49Å; F60-K137 VanDerWaalsContact CZ-CB 3.49Å; F60-K137 HydrophobicContact CZ-CD 4.28Å; F60-K137 HydrophobicContact CZ-CG 3.98Å; E133-K137 WeakPolarHBondContact O-CB 3.5Å; E133-K137 WeakPolarHBondContact O-CG 3.47Å; E133-K137 PolarHBondContact O-N 2.9Å; K137-E140 WeakPolarHBondContact CD-OE2 3.28Å; K137-E140 IonicContact NZ-OE1 3.94Å; K137-E140 IonicContact NZ-OE2 2.79Å; K137-E140 PolarHBondContact NZ-OE2 3.39Å; K137-Y141 WeakPolarHBondContact O-CB 3.2Å; K137-Y141 PolarHBondContact O-N 3.08Å
138R95Very high88Confident79 Ų7969.7 Ų69.730%0.29834%0.338SS..Hα-helixtrans-60.8-48171.9-177.9179.9-176.4-160.7-2111I84 A85 A87 L134 Q135 Q136 Y141 C142I84-R138 HydrophobicContact CG2-CB 4.11Å; I84-R138 VanDerWaalsContact O-CD 3.29Å; I84-R138 WeakPolarHBondContact O-CD 3.49Å; I84-R138 VanDerWaalsContact O-CG 3.31Å; I84-R138 WeakPolarHBondContact O-CG 3.24Å; A85-R138 PolarHBondContact O-NE 2.89Å; A85-R138 PolarHBondContact O-NH2 3.4Å; A87-R138 PolarHBondContact O-NH1 2.93Å; L134-R138 WeakPolarHBondContact O-CB 3.37Å; L134-R138 PolarHBondContact O-N 3.4Å; Q135-R138 PolarHBondContact O-N 3.02Å; Q136-R138 PolarHBondContact O-N 3.22Å; R138-Y141 PolarHBondContact O-N 3.37Å; R138-C142 PolarHBondContact O-N 2.74Å; R138-C142 PolarHBondContact O-SG 3.27Å; R138-C142 VanDerWaalsContact O-SG 3.39Å
139W92.4Very high86.2Confident155 Ų15572.9 Ų72.959%0.58735%0.348SS*.Hα-helixtrans-62-46.4179.3176.983.2000111.8Q135 Q136 Y141 C142 N143Q135-W139 PolarHBondContact O-N 2.94Å; Q136-W139 PolarHBondContact O-N 2.81Å; W139-Y141 VanDerWaalsContact C-N 3.33Å; W139-Y141 PolarHBondContact O-N 2.92Å; W139-C142 PolarHBondContact O-N 3.22Å; W139-N143 WeakPolarHBondContact O-CB 3.39Å; W139-N143 PolarHBondContact O-N 3.4Å
140E93.4Very high83.9Confident73 Ų7379.9 Ų79.934%0.34137%0.374SS..Hα-helixtrans-57.4-44.4175.9-74.1169.6-173.200111.9Q136 K137 S144Q136-E140 WeakPolarHBondContact CG-OE1 3.49Å; Q136-E140 PolarHBondContact NE2-OE1 3.03Å; Q136-E140 WeakPolarHBondContact O-CG 3.35Å; Q136-E140 PolarHBondContact O-N 2.93Å; K137-E140 WeakPolarHBondContact CD-OE2 3.28Å; K137-E140 IonicContact NZ-OE1 3.94Å; K137-E140 IonicContact NZ-OE2 2.79Å; K137-E140 PolarHBondContact NZ-OE2 3.39Å; E140-S144 VanDerWaalsContact O-CB 3.28Å; E140-S144 WeakPolarHBondContact O-CB 3.29Å; E140-S144 PolarHBondContact O-N 3.4Å; E140-S144 PolarHBondContact O-OG 3.36Å
141Y92.4Very high81.8Confident55 Ų5583.9 Ų83.922%0.21640%0.395CS..Hα-helixtrans-66-49.3179.3-174.9-101.5000112.1C65 A85 K137 R138 W139 N143 S144 L145C65-Y141 HydrophobicContact CB-CD1 3.58Å; C65-Y141 HydrophobicContact CB-CD2 3.69Å; C65-Y141 HydrophobicContact CB-CE1 3.79Å; C65-Y141 HydrophobicContact CB-CE2 3.91Å; C65-Y141 HydrophobicContact CB-CG 3.51Å; A85-Y141 HydrophobicContact CB-CD1 3.78Å; A85-Y141 HydrophobicContact CB-CE1 3.75Å; K137-Y141 WeakPolarHBondContact O-CB 3.2Å; K137-Y141 PolarHBondContact O-N 3.08Å; R138-Y141 PolarHBondContact O-N 3.37Å; W139-Y141 VanDerWaalsContact C-N 3.33Å; W139-Y141 PolarHBondContact O-N 2.92Å; Y141-N143 VanDerWaalsContact C-N 3.32Å; Y141-N143 PolarHBondContact O-N 2.91Å; Y141-S144 WeakPolarHBondContact CA-OG 3.49Å; Y141-S144 PolarHBondContact O-N 2.9Å; Y141-S144 PolarHBondContact O-OG 3.4Å; Y141-L145 HydrophobicContact CD1-CD1 3.84Å; Y141-L145 HydrophobicContact CD1-CG 4.45Å; Y141-L145 HydrophobicContact CE1-CD1 3.37Å; Y141-L145 HydrophobicContact CE1-CG 4.19Å; Y141-L145 WeakPolarHBondContact O-CG 3.46Å; Y141-L145 PolarHBondContact O-N 3.01Å
142C88.8Confident79.7Confident60 Ų6088.2 Ų88.241%0.40543%0.427SS..Hα-helixtrans-62.4-39.4177.6-68.50000112.5R138 W139 D146R138-C142 PolarHBondContact O-N 2.74Å; R138-C142 PolarHBondContact O-SG 3.27Å; R138-C142 VanDerWaalsContact O-SG 3.39Å; W139-C142 PolarHBondContact O-N 3.22Å; C142-D146 PolarHBondContact O-N 2.88Å
143N88.6Confident77.6Confident73 Ų7392.1 Ų92.139%0.3944%0.437SS..Hα-helixtrans-70.7-40.7179.9-167.739000112W139 Y141 D146 M147W139-N143 WeakPolarHBondContact O-CB 3.39Å; W139-N143 PolarHBondContact O-N 3.4Å; Y141-N143 VanDerWaalsContact C-N 3.32Å; Y141-N143 PolarHBondContact O-N 2.91Å; N143-D146 PolarHBondContact O-N 2.79Å; N143-M147 PolarHBondContact O-N 2.94Å; N143-M147 VanDerWaalsContact O-N 3.13Å
144S86.1Confident75.6Confident57 Ų5795 Ų9540%0.39946%0.458SS..Hα-helixtrans-66.8-34.8176.156.60000112.8E140 Y141 D146 M147 M148E140-S144 VanDerWaalsContact O-CB 3.28Å; E140-S144 WeakPolarHBondContact O-CB 3.29Å; E140-S144 PolarHBondContact O-N 3.4Å; E140-S144 PolarHBondContact O-OG 3.36Å; Y141-S144 WeakPolarHBondContact CA-OG 3.49Å; Y141-S144 PolarHBondContact O-N 2.9Å; Y141-S144 PolarHBondContact O-OG 3.4Å; S144-D146 VanDerWaalsContact C-N 3.35Å; S144-M147 PolarHBondContact O-N 2.98Å; S144-M148 WeakPolarHBondContact O-CG 3.3Å; S144-M148 PolarHBondContact O-N 3.41Å
145L78.9Confident73.1Confident88 Ų8899.7 Ų99.746%0.46149%0.491SS..Hα-helixtrans-64.7-36.2172.3-74.3-179.7000112.8Y141 K149Y141-L145 HydrophobicContact CD1-CD1 3.84Å; Y141-L145 HydrophobicContact CD1-CG 4.45Å; Y141-L145 HydrophobicContact CE1-CD1 3.37Å; Y141-L145 HydrophobicContact CE1-CG 4.19Å; Y141-L145 WeakPolarHBondContact O-CG 3.46Å; Y141-L145 PolarHBondContact O-N 3.01Å; L145-K149 PolarHBondContact O-N 3.45Å
146D65.5Low70.9Confident75 Ų75100.3 Ų100.340%0.40150%0.504SS..Hα-helixtrans-70.2-37.9176.7-151-16.1000111.6C142 N143 S144 M148 K149 W150C142-D146 PolarHBondContact O-N 2.88Å; N143-D146 PolarHBondContact O-N 2.79Å; S144-D146 VanDerWaalsContact C-N 3.35Å; D146-M148 VanDerWaalsContact C-N 3.32Å; D146-M148 PolarHBondContact O-N 3.22Å; D146-K149 WeakPolarHBondContact O-CB 3.49Å; D146-K149 PolarHBondContact O-N 3.34Å; D146-K149 IonicContact OD1-NZ 2.74Å; D146-K149 PolarHBondContact OD1-NZ 3.31Å; D146-K149 IonicContact OD2-NZ 3.92Å; D146-W150 PolarHBondContact O-N 3.2Å
147M59.2Low68.7Low135 Ų135102.3 Ų102.367%0.66552%0.522SS*.Hα-helixtrans-60.5-39.5174.8-76.2-176.166.300113N143 S144 K149 W150N143-M147 PolarHBondContact O-N 2.94Å; N143-M147 VanDerWaalsContact O-N 3.13Å; S144-M147 PolarHBondContact O-N 2.98Å; M147-K149 PolarHBondContact O-N 2.82Å; M147-W150 PolarHBondContact O-N 2.88Å
148M58.3Low66.6Low141 Ų141107 Ų10770%0.69556%0.556SS**Hα-helixtrans-76.6-7175.7-63.9-93.517200113.9S144 D146 D151 S152S144-M148 WeakPolarHBondContact O-CG 3.3Å; S144-M148 PolarHBondContact O-N 3.41Å; D146-M148 VanDerWaalsContact C-N 3.32Å; D146-M148 PolarHBondContact O-N 3.22Å; M148-D151 WeakPolarHBondContact CA-OD1 3.18Å; M148-S152 PolarHBondContact O-OG 3.34Å
149K55.2Low64.3Low114 Ų114106.1 Ų106.150%0.49657%0.571SS.*Hα-helixtrans-99-29.2172.3166.8177.4135.9-85.10111.2L145 D146 M147 D151 S152L145-K149 PolarHBondContact O-N 3.45Å; D146-K149 WeakPolarHBondContact O-CB 3.49Å; D146-K149 PolarHBondContact O-N 3.34Å; D146-K149 IonicContact OD1-NZ 2.74Å; D146-K149 PolarHBondContact OD1-NZ 3.31Å; D146-K149 IonicContact OD2-NZ 3.92Å; M147-K149 PolarHBondContact O-N 2.82Å; K149-D151 PolarHBondContact N-OD1 3.45Å; K149-S152 WeakPolarHBondContact O-CB 3.48Å; K149-S152 PolarHBondContact O-N 3.43Å
150W46.9Very low61.9Low186 Ų186106.3 Ų106.371%0.70558%0.584SS**Hα-helixtrans-70.4-37.9-175.2-169-94.5000112.9D146 M147 S152 R153D146-W150 PolarHBondContact O-N 3.2Å; M147-W150 PolarHBondContact O-N 2.88Å; W150-S152 VanDerWaalsContact C-N 3.31Å; W150-R153 PolarHBondContact O-N 3.25Å
151D50.3Low59.9Low83 Ų83112.3 Ų112.344%0.44461%0.609SS.*G310 helixtrans-64.4-29.9169.851.1-1.9000113.3M148 K149 R153 T154M148-D151 WeakPolarHBondContact CA-OD1 3.18Å; K149-D151 PolarHBondContact N-OD1 3.45Å; D151-R153 PolarHBondContact O-N 2.92Å; D151-T154 WeakPolarHBondContact O-CG2 3.4Å; D151-T154 PolarHBondContact O-N 2.89Å; D151-T154 PolarHBondContact O-OG1 2.84Å
152S52.4Low57.9Low101 Ų101115.6 Ų115.671%0.70664%0.637SS**G310 helixtrans-70.1-13.2173.8-59.10000113.8M148 K149 W150 T154M148-S152 PolarHBondContact O-OG 3.34Å; K149-S152 WeakPolarHBondContact O-CB 3.48Å; K149-S152 PolarHBondContact O-N 3.43Å; W150-S152 VanDerWaalsContact C-N 3.31Å; S152-T154 VanDerWaalsContact C-N 3.34Å
153R50.8Low56.3Low191 Ų191122.8 Ų122.872%0.72166%0.661SS**G310 helixtrans-98.839.5169.9-160-176.5-75.8-171.7-4.8111.2W150 D151 S155W150-R153 PolarHBondContact O-N 3.25Å; D151-R153 PolarHBondContact O-N 2.92Å; R153-S155 PolarHBondContact O-N 3.08Å
154T53.3Low54.5Low112 Ų112122.7 Ų122.769%0.68768%0.678SS**  trans-94.773.9165.850.60000110.1D151 S152D151-T154 WeakPolarHBondContact O-CG2 3.4Å; D151-T154 PolarHBondContact O-N 2.89Å; D151-T154 PolarHBondContact O-OG1 2.84Å; S152-T154 VanDerWaalsContact C-N 3.34Å
155S43.7Very low52.8Low98 Ų98128.3 Ų128.369%0.68570%0.703SS**  trans-176.297.5145.7-80.40000107.8R153 T157R153-S155 PolarHBondContact O-N 3.08Å; S155-T157 VanDerWaalsContact C-N 3.32Å; S155-T157 PolarHBondContact O-N 3.36Å; S155-T157 VanDerWaalsContact O-N 3.08Å
156P50Low51.9Low118 Ų118131 Ų13177%0.76672%0.722SS**  trans-67.8102.6153.329-25.4000105.5P158P156-P158 WeakPolarHBondContact O-CD 3.37Å
157T47.5Very low51.2Low121 Ų121132.2 Ų132.274%0.74274%0.743SS**  trans-58.5119.1158-52.40000106.1S155 G159S155-T157 VanDerWaalsContact C-N 3.32Å; S155-T157 PolarHBondContact O-N 3.36Å; S155-T157 VanDerWaalsContact O-N 3.08Å; T157-G159 VanDerWaalsContact C-N 3.29Å; T157-G159 PolarHBondContact O-N 2.76Å
158P50.1Low50.5Low132 Ų132137.3 Ų137.386%0.85776%0.755SS**  trans-70.793.4171.1-9.927.3000106.6P156P156-P158 WeakPolarHBondContact O-CD 3.37Å
159G46.3Very low50Low61 Ų61137.9 Ų137.963%0.62976%0.761SS**  trans-136.492.1-175.600000110.9T157T157-G159 VanDerWaalsContact C-N 3.29Å; T157-G159 PolarHBondContact O-N 2.76Å
160D42.7Very low49.3Very low159 Ų159138 Ų13885%0.8577%0.771SS**  trans52.494.3164.3-75.1-30.5000119.4
161F50.5Low49.4Very low198 Ų198134.7 Ų134.787%0.86877%0.772SS**PPolyproline II helixtrans-65.6129.8152.3-67-93.1000110.7
162P51.9Low48.8Very low124 Ų124137 Ų13781%0.80578%0.784SS**PPolyproline II helixtrans-75.6124.5152.429.3-27.6000109.2
163K53.5Low48.5Very low211 Ų211139 Ų13992%0.91779%0.785SS**PPolyproline II helixtrans-53.5140.2175.7-73.6161174.5171.20113.2
164G51Low48Very low72 Ų72137 Ų13774%0.74279%0.787SS**  trans127.9126.2158.300000111.8
165L51Low47.4Very low174 Ų174136.2 Ų136.291%0.91179%0.786SS**  cis-143.3141.912.4-92.7141.3000108.4
166V60.1Low47.2Very low144 Ų144140.1 Ų140.187%0.87379%0.794SS**  trans-49.9132176.7-91.90000114.7
167A49.9Very low47.1Very low102 Ų102142 Ų14284%0.84379%0.792SS**  trans-135.9135.8144.300000108.3
168R45.4Very low47Very low242 Ų242141.5 Ų141.591%0.91379%0.791SS**  trans-66.8152.8-155.9-71.4177163.3173.1-4.6115.2T170R168-T170 PolarHBondContact O-N 3.24Å
169D47.9Very low47Very low153 Ų153140 Ų14082%0.81878%0.776SS**  trans-42.3120.6156.5-89.9-61.5000111.7
170T40.8Very low47.3Very low116 Ų116141.8 Ų141.871%0.71278%0.776SS**  trans-136.9102.9145.4-57.20000107.5R168 D172R168-T170 PolarHBondContact O-N 3.24Å; T170-D172 WeakPolarHBondContact CG2-OD2 3.21Å; T170-D172 PolarHBondContact O-N 3.27Å; T170-D172 VanDerWaalsContact O-N 3.08Å
171T47.6Very low47.7Very low116 Ų116138.4 Ų138.471%0.71277%0.765SS**  trans-58.899.8163.1-43.10000108.8
172D39.3Very low47.7Very low132 Ų132131.7 Ų131.771%0.70675%0.746SS**  trans-137.2108.1158.6-85.7-53.6000109.4T170 I174T170-D172 WeakPolarHBondContact CG2-OD2 3.21Å; T170-D172 PolarHBondContact O-N 3.27Å; T170-D172 VanDerWaalsContact O-N 3.08Å; D172-I174 PolarHBondContact O-N 3.29Å
173I44.8Very low47.6Very low143 Ų143133 Ų13373%0.73374%0.741SS**  trans-55.8100.5168.6-64.7164.3000106.7S175I173-S175 PolarHBondContact O-N 3.41Å
174I41Very low47.3Very low149 Ų149131 Ų13176%0.76473%0.733SS**  trans-72.685.7163.6-57177.4000106D172 Q176D172-I174 PolarHBondContact O-N 3.29Å; I174-Q176 VanDerWaalsContact C-N 3.28Å; I174-Q176 PolarHBondContact O-N 3.25Å
175S41.2Very low47Very low95 Ų95131.1 Ų131.166%0.66473%0.726SS**  trans-54.897.6159.2-62.90000107I173 H177I173-S175 PolarHBondContact O-N 3.41Å; S175-H177 PolarHBondContact O-N 2.9Å
176Q38.7Very low47.1Very low181 Ų181133 Ų13385%0.84672%0.721SS**  trans-64.291.3165.7-74.6-177.1-21.700107I174I174-Q176 VanDerWaalsContact C-N 3.28Å; I174-Q176 PolarHBondContact O-N 3.25Å
177H47.8Very low46.6Very low158 Ų158131.5 Ų131.573%0.73171%0.713SS**  trans-53.7121.1176.2-178.6-84.2000109.3S175 N179S175-H177 PolarHBondContact O-N 2.9Å; H177-N179 PolarHBondContact O-N 3.43Å; H177-N179 VanDerWaalsContact O-N 3.1Å
178P45.7Very low46.4Very low109 Ų109132.4 Ų132.471%0.70871%0.707SS**  trans-66.4114.7178.626.2-30.9000108.2P180P178-P180 WeakPolarHBondContact O-CD 3.34Å
179N50.1Low46.2Very low101 Ų101129 Ų12954%0.5471%0.706SS.*  trans-78.5109.6176.4-177.9-5.8000108.9H177 S181 A182H177-N179 PolarHBondContact O-N 3.43Å; H177-N179 VanDerWaalsContact O-N 3.1Å; N179-S181 PolarHBondContact O-N 3.13Å; N179-S181 VanDerWaalsContact O-N 3.12Å; N179-S181 WeakPolarHBondContact OD1-CB 3.39Å; N179-S181 PolarHBondContact OD1-N 2.86Å; N179-A182 PolarHBondContact O-N 2.89Å; N179-A182 VanDerWaalsContact O-N 3.1Å
180P52.7Low46.3Very low99 Ų99125.5 Ų125.564%0.64370%0.699SS**Hα-helixtrans-66.6-14.2-178.629-36000113P178 A182P178-P180 WeakPolarHBondContact O-CD 3.34Å; P180-A182 VanDerWaalsContact C-N 3.35Å
181S50.8Low46.7Very low87 Ų87126.6 Ų126.661%0.60871%0.705SS**Hα-helixtrans-69.8-32.2174.1-1730000112.3N179 E183N179-S181 PolarHBondContact O-N 3.13Å; N179-S181 VanDerWaalsContact O-N 3.12Å; N179-S181 WeakPolarHBondContact OD1-CB 3.39Å; N179-S181 PolarHBondContact OD1-N 2.86Å; S181-E183 VanDerWaalsContact C-N 3.31Å; S181-E183 PolarHBondContact O-N 3.29Å
182A51.4Low46.7Very low57 Ų57129.8 Ų129.847%0.47171%0.712SS.*Hα-helixtrans-72.4-24.6-179.700000112.8N179 P180N179-A182 PolarHBondContact O-N 2.89Å; N179-A182 VanDerWaalsContact O-N 3.1Å; P180-A182 VanDerWaalsContact C-N 3.35Å
183E49.9Very low47.2Very low152 Ų152127.7 Ų127.771%0.7171%0.713SS**Hα-helixtrans-79.1-34.5179.5-150.9174.4106.400111.8S181 A185 R186S181-E183 VanDerWaalsContact C-N 3.31Å; S181-E183 PolarHBondContact O-N 3.29Å; E183-A185 VanDerWaalsContact C-N 3.3Å; E183-A185 PolarHBondContact O-N 2.8Å; E183-R186 PolarHBondContact O-N 2.72Å
184K46.3Very low47.5Very low170 Ų170123.8 Ų123.874%0.73970%0.702SS**Hα-helixtrans-69.6-24.2179-164.3174.4-179.3-1770113.7R186K184-R186 VanDerWaalsContact C-N 3.31Å
185A45.5Very low48Very low73 Ų73118.1 Ų118.160%0.60368%0.675SS**G310 helixtrans-76.4-16.8176.500000113.4E183 T187E183-A185 VanDerWaalsContact C-N 3.3Å; E183-A185 PolarHBondContact O-N 2.8Å; A185-T187 VanDerWaalsContact C-N 3.32Å
186R52Low48.7Very low214 Ų214116.7 Ų116.781%0.80868%0.675SS**G310 helixtrans-78.7-17-180-66.1179.9169.5-118.1-1.4113.1E183 K184E183-R186 PolarHBondContact O-N 2.72Å; K184-R186 VanDerWaalsContact C-N 3.31Å
187T49.2Very low49.6Very low113 Ų113114.6 Ų114.669%0.69367%0.665SS**G310 helixtrans-88.7-8.9-173.3-51.30000114.1A185A185-T187 VanDerWaalsContact C-N 3.32Å
188V46.1Very low50.1Low120 Ų120110.5 Ų110.573%0.72765%0.648SS**SBendtrans-97-4.1-169.8-172.40000114.1
189L41.5Very low50.9Low170 Ų170106.4 Ų106.489%0.8962%0.621SS**SBendtrans-116.739.5178.7-65.5174.6000112.7
190A49.3Very low52.2Low81 Ų81102.1 Ų102.167%0.66960%0.601SS**  trans-120.274172.100000109.4
191V49.6Very low53Low138 Ų138101.8 Ų101.884%0.83659%0.593SS**  trans174.989.9150.3146.70000106
192E47.8Very low53.8Low184 Ų184107.9 Ų107.986%0.8660%0.603SS**  trans-124103.7147.7-94.5-92.2102.500103A194E192-A194 PolarHBondContact O-N 2.74Å
193A50Low54.8Low87 Ų87105.3 Ų105.372%0.71958%0.582SS**  trans-59.9127.1178.700000107.8
194A51.4Low55.7Low62 Ų6298.9 Ų98.951%0.51256%0.555SS.*  trans-45.3130.816900000108.5Y129 E192 G196Y129-A194 HydrophobicContact CE2-CB 4.37Å; E192-A194 PolarHBondContact O-N 2.74Å; A194-G196 PolarHBondContact O-N 2.8Å
195P50.7Low56.7Low29 Ų2998.7 Ų98.719%0.18856%0.556CS.*  trans-56.2105.7-178.4-21.731.4000108.6L126 E197 L198L126-P195 HydrophobicContact CD1-CB 4.42Å; L126-P195 HydrophobicContact CD1-CG 4.4Å; P195-E197 PolarHBondContact O-N 2.74Å; P195-L198 PolarHBondContact O-N 3.32Å
196G56.3Low57.8Low65 Ų6599.9 Ų99.967%0.6755%0.549SS*.THydrogen-bonded Turntrans-56131.7-173.500000110.2A194 L198A194-G196 PolarHBondContact O-N 2.8Å; G196-L198 PolarHBondContact O-N 3.23Å
197E58.3Low58.1Low137 Ų13794.6 Ų94.664%0.6454%0.543SS*.THydrogen-bonded Turntrans79.3-16.6178.3-66.8-169.3107.100119.5P195P195-E197 PolarHBondContact O-N 2.74Å
198L58Low58.8Low72 Ų7290.2 Ų90.238%0.37752%0.518SS..THydrogen-bonded Turntrans-93.7-10.9-173.1-62.2177.5000114.8L126 P195 G196L126-L198 HydrophobicContact CD1-CB 3.67Å; L126-L198 HydrophobicContact CD1-CD1 4.44Å; L126-L198 HydrophobicContact CD2-CB 4.43Å; P195-L198 PolarHBondContact O-N 3.32Å; G196-L198 PolarHBondContact O-N 3.23Å
199V62.8Low59.6Low24 Ų2487.4 Ų87.415%0.14550%0.503CS..SBendtrans-137.7146.3179.9-172.20000109.6L37 C38 L126 Y129L37-V199 HydrophobicContact CD1-CG1 4.08Å; C38-V199 CarbonylContact O-C 3.51Å; C38-V199 WeakPolarHBondContact O-CA 3.39Å; C38-V199 WeakPolarHBondContact O-CG1 3.48Å; L126-V199 HydrophobicContact CD1-CG2 3.33Å; L126-V199 HydrophobicContact CG-CG2 4.35Å; Y129-V199 HydrophobicContact CD1-CG1 4.46Å; Y129-V199 HydrophobicContact CD1-CG2 3.86Å; Y129-V199 HydrophobicContact CE1-CB 4Å; Y129-V199 HydrophobicContact CE1-CG1 3.52Å; Y129-V199 HydrophobicContact CE1-CG2 3.69Å
200G77.5Confident60.2Low10 Ų1082.8 Ų82.810%0.10350%0.496CS..SBendtrans102.7178.2176.300000112.1C38 R202 A203C38-G200 PolarHBondContact O-N 2.88Å; C38-G200 VanDerWaalsContact SG-CA 3.51Å; G200-R202 PolarHBondContact O-N 3.08Å; G200-R202 VanDerWaalsContact O-N 3.08Å; G200-A203 WeakPolarHBondContact O-CB 3.49Å; G200-A203 PolarHBondContact O-N 2.8Å
201D68.2Low60Low92 Ų9285.7 Ų85.749%0.49250%0.495SS..G310 helixtrans-58.6-29.3-171.9-58.5-74.3000113.2A203 A204D201-A203 VanDerWaalsContact C-N 3.29Å; D201-A203 PolarHBondContact O-N 2.76Å; D201-A204 WeakPolarHBondContact O-CB 3.13Å; D201-A204 PolarHBondContact O-N 2.99Å; D201-A204 VanDerWaalsContact O-N 3.15Å
202R67.8Low59.7Low215 Ų21584.2 Ų84.281%0.81149%0.489SS*.G310 helixtrans-62.7-31.9174.7-79.8179.7145.8-179.4-7.4113.5G200 A204 H205G200-R202 PolarHBondContact O-N 3.08Å; G200-R202 VanDerWaalsContact O-N 3.08Å; R202-A204 PolarHBondContact O-N 2.89Å; R202-H205 PolarHBondContact O-N 2.87Å
203A73.4Confident59.1Low4 Ų482.3 Ų82.33%0.03348%0.484CS..G310 helixtrans-69.8-16.6177.700000112.6W57 G200 D201 H205 Q206W57-A203 HydrophobicContact CH2-CB 3.94Å; W57-A203 HydrophobicContact CZ3-CB 3.94Å; G200-A203 WeakPolarHBondContact O-CB 3.49Å; G200-A203 PolarHBondContact O-N 2.8Å; D201-A203 VanDerWaalsContact C-N 3.29Å; D201-A203 PolarHBondContact O-N 2.76Å; A203-H205 PolarHBondContact O-N 2.81Å; A203-Q206 PolarHBondContact O-N 3.1Å
204A68.4Low58.9Low17 Ų1783.6 Ų83.614%0.1449%0.485CS..G310 helixtrans-66.2-26.4177.900000112.9W57 P73 D201 R202W57-A204 HydrophobicContact CH2-CB 3.78Å; W57-A204 VanDerWaalsContact CH2-N 3.28Å; W57-A204 HydrophobicContact CZ2-CB 3.75Å; W57-A204 HydrophobicContact CZ3-CB 4.43Å; P73-A204 HydrophobicContact CB-CB 3.7Å; P73-A204 HydrophobicContact CG-CB 4.1Å; P73-A204 WeakPolarHBondContact CG-O 3.5Å; D201-A204 WeakPolarHBondContact O-CB 3.13Å; D201-A204 PolarHBondContact O-N 2.99Å; D201-A204 VanDerWaalsContact O-N 3.15Å; R202-A204 PolarHBondContact O-N 2.89Å
205H67Low58.9Low165 Ų16587.4 Ų87.476%0.76450%0.495SS*.G310 helixtrans-87.5-11.2179.3-62.3-73.1000113.1R202 A203R202-H205 PolarHBondContact O-N 2.87Å; A203-H205 PolarHBondContact O-N 2.81Å
206Q67.8Low58.4Low98 Ų9893 Ų9346%0.45852%0.524SS..SBendtrans-83.2140.8177.1-66.7-70.4-6.200110.3Y40 A203Y40-Q206 WeakPolarHBondContact CE2-O 3.44Å; A203-Q206 PolarHBondContact O-N 3.1Å
207P58.5Low57.8Low104 Ų10499.5 Ų99.568%0.67553%0.534SS*.PPolyproline II helixtrans-64145.3174.726-31.9000110.8
208A63.6Low57Low20 Ų20103.5 Ų103.517%0.16555%0.545CS..PPolyproline II helixtrans-56130.1-178.700000111.6Y40 G210 H211Y40-A208 HydrophobicContact CD1-CB 4.11Å; Y40-A208 HydrophobicContact CE1-CB 3.8Å; A208-G210 PolarHBondContact O-N 3.45Å; A208-H211 PolarHBondContact O-N 3.1Å
209P62.7Low56.3Low62 Ų62105.2 Ų105.240%0.40356%0.563SS.*THydrogen-bonded Turntrans-59.6123.1177.4-22.531.4000111.2
210G55.8Low55.6Low73 Ų73112.1 Ų112.175%0.75360%0.598SS**THydrogen-bonded Turntrans91.617.4178.600000115.9A208 P212A208-G210 PolarHBondContact O-N 3.45Å; G210-P212 WeakPolarHBondContact O-CD 3.19Å
211H44.8Very low54.4Low142 Ų142121.2 Ų121.266%0.65764%0.635SS**  trans-78.1111.8164.7-133.1-76.8000109.3A208 N213A208-H211 PolarHBondContact O-N 3.1Å; H211-N213 PolarHBondContact O-N 3.12Å
212P42.1Very low53.6Low107 Ų107125 Ų12570%0.69565%0.649SS**  trans-64.8130.4162.527.7-30.9000107.4G210G210-P212 WeakPolarHBondContact O-CD 3.19Å
213N36.7Very low52.5Low144 Ų144127.6 Ų127.677%0.7766%0.659SS**  trans-51132.7171.2-75.2-37.2000109.7H211 I215H211-N213 PolarHBondContact O-N 3.12Å; N213-I215 PolarHBondContact O-N 3.35Å
214P45.1Very low51.5Low114 Ų114130 Ų13074%0.7469%0.685SS**SBendtrans-8353.8171.835.9-34.3000110.1
215I51.6Low50.5Low141 Ų141137 Ų13772%0.72372%0.72SS**  trans-144.280.6171.8-50.7178.3000109.1N213N213-I215 PolarHBondContact O-N 3.35Å
216N40.8Very low49.3Very low148 Ų148138.4 Ų138.479%0.79173%0.727SS**  trans176.877.1140.3-95.8-22.5000109.3Y218N216-Y218 VanDerWaalsContact C-N 3.29Å
217F43Very low48.2Very low200 Ų200142.5 Ų142.588%0.87775%0.751SS**  trans-90.415.4174.3-112.6-88.8000113.4
218Y42.3Very low47.5Very low222 Ų222150.6 Ų150.687%0.87178%0.775SS**  trans-127.976.8175.1-67.9-77.2000111.3N216N216-Y218 VanDerWaalsContact C-N 3.29Å
219S41.7Very low46.7Very low107 Ų107157.1 Ų157.175%0.74881%0.806SS**  trans-155.455.3152.4-151.50000111
220L47.9Very low45.8Very low170 Ų170162.1 Ų162.189%0.8983%0.827SS**  trans-122.655.1166.6-170.782.9000109.2
221K52.4Low45.3Very low201 Ų201167.1 Ų167.187%0.87483%0.831SS**  trans-159.391.5164.5-67.8-164.1179.2-177.20109.5
222Q51.2Low45.3Very low170 Ų170168.5 Ų168.579%0.79484%0.841SS**  trans-169.18.5149.357-179.3-800117G224Q222-G224 PolarHBondContact O-N 3.01Å
223W45.2Very low45.5Very low271 Ų271172.4 Ų172.4100%1.02785%0.85SS**  trans-94.881.9169.1-85.210.9000111.2
224G52.4Low46.1Very low55 Ų55174.3 Ų174.357%0.56786%0.856SS**  trans-170.398.2171.300000108.6Q222Q222-G224 PolarHBondContact O-N 3.01Å
225N48.3Very low46.2Very low164 Ų164178.6 Ų178.688%0.87786%0.864SS**  trans136.6114.1173.4-69.9-23.7000105.2
226E41.6Very low45.8Very low194 Ų194181.5 Ų181.591%0.90788%0.875SS**  -150.3135.952.8-58.4-165.8116.200111.8
227L45.2Very low46.2Very low184 Ų184184.3 Ų184.396%0.96388%0.882SS**  trans-111.2112.2157.8-88.7160.7000106.5
228K43.1Very low46.5Very low273 Ų273182.8 Ų182.8100%1.18788%0.882SS**  trans-159.20146.5-157.8178.8174.274.90110.9

Retrieved 228 of 228 residues in 325.2 ms (Link to these results)