A0A087XKI2_POEFO Loading...

2-hydroxyacyl-CoA lyase 1

AlphaFold DB , UniProt , Accession A0A087XKI2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 588 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32Very low32.5Very low237 Ų237144.6 Ų144.6100%1.16779%0.786SS**  0120.90-107.1175.9-81.800107.4
2N31.2Very low32.7Very low135 Ų135148.5 Ų148.572%0.72279%0.79SS**  trans68.8106.5165.3-69.217.1000117.8
3E31Very low33.2Very low166 Ų166154.4 Ų154.478%0.77679%0.794SS**  71.413584.4-77.1-170.6158.300109.6
4S35Very low33.5Very low104 Ų104151 Ų15173%0.72779%0.791SS**  cis169.5120.310.1-94.90000103.7
5S31.6Very low34.1Very low109 Ų109145.3 Ų145.376%0.76278%0.784SS**  trans-162.884.115467.60000109.9V7S5-V7 PolarHBondContact O-N 3.33Å
6L35.1Very low35.1Very low167 Ų167144.6 Ų144.687%0.87479%0.785SS**  trans-67.694.4166.8-142.2102.3000107.6L8L6-L8 PolarHBondContact O-N 3.03Å
7V33.5Very low36.5Very low119 Ų119142.6 Ų142.672%0.72177%0.771SS**  trans-80.697.6169.5179.10000107.4S5 K9S5-V7 PolarHBondContact O-N 3.33Å; V7-K9 PolarHBondContact O-N 3.43Å
8L32.4Very low39.3Very low133 Ų133140.5 Ų140.570%0.69676%0.759SS**  trans-53.197.2161.1-102.9127.7000108.9L6 L10L6-L8 PolarHBondContact O-N 3.03Å; L8-L10 HydrophobicContact CD2-CD1 4.17Å; L8-L10 HydrophobicContact CD2-CG 4.2Å; L8-L10 PolarHBondContact O-N 2.97Å
9K31.9Very low42.1Very low195 Ų195137.6 Ų137.685%0.84874%0.741SS**  trans-74.579.6159.3-82.4-176.2176.3177.90108V7 S11V7-K9 PolarHBondContact O-N 3.43Å; K9-S11 PolarHBondContact O-N 3.46Å
10L32.4Very low44.9Very low133 Ų133130.8 Ų130.870%0.69670%0.704SS**  trans-65.183.9153.3-88.6154.6000107.1L8 F12L8-L10 HydrophobicContact CD2-CD1 4.17Å; L8-L10 HydrophobicContact CD2-CG 4.2Å; L8-L10 PolarHBondContact O-N 2.97Å; L10-F12 VanDerWaalsContact C-N 3.3Å; L10-F12 PolarHBondContact O-N 2.96Å
11S31.6Very low47.4Very low93 Ų93126 Ų12665%0.6568%0.679SS**  trans-69.894.3164.6175.60000107K9 R13K9-S11 PolarHBondContact O-N 3.46Å; S11-R13 PolarHBondContact O-N 3.18Å
12F34.8Very low50.5Low191 Ų191114.8 Ų114.884%0.83862%0.624SS**  trans-56.791.4155.5-90.4-95.9000107.6L10 S14L10-F12 VanDerWaalsContact C-N 3.3Å; L10-F12 PolarHBondContact O-N 2.96Å; F12-S14 PolarHBondContact O-N 2.98Å; F12-S14 VanDerWaalsContact O-N 3.17Å
13R38.6Very low53.7Low225 Ų225108.4 Ų108.485%0.84959%0.59SS**  trans-67.2106.5155.5-81.2-176.7174.6-178.9-2.2104.8S11 G15S11-R13 PolarHBondContact O-N 3.18Å; R13-G15 VanDerWaalsContact C-N 3.32Å; R13-G15 PolarHBondContact O-N 3.17Å
14S38.3Very low56.9Low107 Ų107104.5 Ų104.575%0.74857%0.572SS**  trans-53.5102162.150.80000107.4F12 V16F12-S14 PolarHBondContact O-N 2.98Å; F12-S14 VanDerWaalsContact O-N 3.17Å; S14-V16 VanDerWaalsContact C-N 3.27Å; S14-V16 PolarHBondContact O-N 2.9Å
15G42.4Very low59.9Low66 Ų6699.8 Ų99.868%0.6854%0.538SS*.  trans-70.181.4-17900000110.6R13 M17R13-G15 VanDerWaalsContact C-N 3.32Å; R13-G15 PolarHBondContact O-N 3.17Å; G15-M17 PolarHBondContact O-N 3.06Å
16V49.3Very low63Low133 Ų13394.6 Ų94.681%0.80650%0.502SS*.  trans-69.598.1153.2-176.80000104.5S14 D18S14-V16 VanDerWaalsContact C-N 3.27Å; S14-V16 PolarHBondContact O-N 2.9Å; V16-D18 PolarHBondContact O-N 2.69Å
17M58.6Low66.1Low112 Ų11286.7 Ų86.755%0.55246%0.461SS*.  trans-58.5122.2172.2-65.5-178.7-62.100107G15 E19 E186G15-M17 PolarHBondContact O-N 3.06Å; M17-E19 VanDerWaalsContact C-N 3.32Å; M17-E19 PolarHBondContact O-N 3.04Å; M17-E186 HydrophobicContact CB-CG 4.45Å; M17-E186 HydrophobicContact SD-CG 4.38Å
18D87.3Confident69.1Low104 Ų10484.3 Ų84.356%0.55644%0.442SS*.  trans-72.889.9178.4-17329.8000108.1V16 R187V16-D18 PolarHBondContact O-N 2.69Å; D18-R187 VanDerWaalsContact O-CB 3.27Å; D18-R187 WeakPolarHBondContact O-CB 3.48Å; D18-R187 PolarHBondContact O-N 3.09Å; D18-R187 VanDerWaalsContact OD2-CD 3.23Å; D18-R187 WeakPolarHBondContact OD2-CD 3.15Å; D18-R187 IonicContact OD2-NE 2.91Å; D18-R187 PolarHBondContact OD2-NE 2.86Å
19E93.7Very high72.3Confident86 Ų8678.4 Ų78.440%0.40241%0.412SS..EExtended strand (participates in β ladder)trans-87.7142.5179.1-66.3-175.1145.900111M17 K184 V185M17-E19 VanDerWaalsContact C-N 3.32Å; M17-E19 PolarHBondContact O-N 3.04Å; E19-K184 HydrophobicContact CB-CB 4.42Å; E19-K184 HydrophobicContact CB-CD 4.2Å; E19-K184 WeakPolarHBondContact OE2-CD 3.31Å; E19-K184 IonicContact OE2-NZ 3.05Å; E19-K184 PolarHBondContact OE2-NZ 2.7Å; E19-V185 WeakPolarHBondContact CA-O 3.25Å
20V96.3Very high75.4Confident1 Ų169.1 Ų69.11%0.00637%0.372CS..EExtended strand (participates in β ladder)trans-127.4140.7177.162.80000110.3Q24 L25 K184 V185 R187V20-Q24 HydrophobicContact CG2-CB 3.47Å; V20-Q24 VanDerWaalsContact CG2-CB 3.47Å; V20-Q24 HydrophobicContact CG2-CG 4.46Å; V20-L25 HydrophobicContact CB-CD2 4.45Å; V20-L25 HydrophobicContact CG1-CD1 4.1Å; V20-L25 HydrophobicContact CG1-CD2 3.59Å; V20-L25 HydrophobicContact CG1-CG 3.77Å; V20-L25 HydrophobicContact CG2-CD2 3.98Å; V20-L25 HydrophobicContact CG2-CG 3.96Å; V20-K184 WeakPolarHBondContact O-CA 3.37Å; V20-V185 HydrophobicContact CG1-CG1 3.94Å; V20-V185 PolarHBondContact N-O 2.74Å; V20-V185 PolarHBondContact O-N 3.5Å; V20-R187 HydrophobicContact CG1-CB 4.49Å
21T97.8Very high78.6Confident31 Ų3167 Ų6719%0.1936%0.357CS..EExtended strand (participates in β ladder)trans-81.1158.7178.168.80000112A23 Q24 L25 A183 K184T21-A23 VanDerWaalsContact C-N 3.28Å; T21-A23 PolarHBondContact O-N 3.43Å; T21-Q24 PolarHBondContact O-N 3.48Å; T21-Q24 WeakPolarHBondContact OG1-CG 3.01Å; T21-Q24 PolarHBondContact OG1-N 2.75Å; T21-Q24 PolarHBondContact OG1-OE1 2.95Å; T21-L25 WeakPolarHBondContact O-CG 3.31Å; T21-L25 PolarHBondContact O-N 2.73Å; T21-A183 CarbonylContact C-O 3.18Å; T21-A183 VanDerWaalsContact CA-O 3.27Å; T21-A183 WeakPolarHBondContact CA-O 3.19Å; T21-K184 HydrophobicContact CG2-CG 4.18Å
22G97.8Very high81.7Confident0 Ų065.7 Ų65.70%035%0.345CS..Hα-helixtrans-55.6-4217200000113.1Q24 L25 I26 M180 V181 A183G22-Q24 PolarHBondContact O-N 2.93Å; G22-L25 PolarHBondContact O-N 3.25Å; G22-I26 WeakPolarHBondContact O-CD1 3.38Å; G22-I26 VanDerWaalsContact O-CG1 3.26Å; G22-I26 WeakPolarHBondContact O-CG1 3.46Å; G22-I26 PolarHBondContact O-N 3.2Å; G22-M180 WeakPolarHBondContact CA-O 3.34Å; G22-V181 PolarHBondContact N-O 2.95Å; G22-A183 PolarHBondContact N-O 3.16Å
23A98.1Very high84.8Confident2 Ų256.7 Ų56.72%0.01731%0.306CS..Hα-helixtrans-58.1-45.6174.900000113T21 I26 A27 E48 V49 A52 V181T21-A23 VanDerWaalsContact C-N 3.28Å; T21-A23 PolarHBondContact O-N 3.43Å; A23-I26 PolarHBondContact O-N 3.4Å; A23-A27 WeakPolarHBondContact O-CB 3.38Å; A23-A27 PolarHBondContact O-N 3.49Å; A23-A27 VanDerWaalsContact O-N 3.08Å; A23-E48 HydrophobicContact CB-CB 3.91Å; A23-V49 HydrophobicContact CB-CG2 4.21Å; A23-A52 HydrophobicContact CB-CB 4.15Å; A23-A52 WeakPolarHBondContact O-CB 3.46Å; A23-V181 HydrophobicContact CB-CG1 4.08Å; A23-V181 PolarHBondContact N-O 2.94Å
24Q97.9Very high87.6Confident83 Ų8352 Ų5239%0.38829%0.291SS..Hα-helixtrans-63.7-43.6175.9-73.7171-36.900111.4V20 T21 G22 I26 A27 E28V20-Q24 HydrophobicContact CG2-CB 3.47Å; V20-Q24 VanDerWaalsContact CG2-CB 3.47Å; V20-Q24 HydrophobicContact CG2-CG 4.46Å; T21-Q24 PolarHBondContact O-N 3.48Å; T21-Q24 WeakPolarHBondContact OG1-CG 3.01Å; T21-Q24 PolarHBondContact OG1-N 2.75Å; T21-Q24 PolarHBondContact OG1-OE1 2.95Å; G22-Q24 PolarHBondContact O-N 2.93Å; Q24-I26 VanDerWaalsContact C-N 3.35Å; Q24-I26 PolarHBondContact O-N 3.04Å; Q24-A27 PolarHBondContact O-N 2.6Å; Q24-E28 WeakPolarHBondContact O-CB 3.35Å; Q24-E28 VanDerWaalsContact O-CG 3.32Å; Q24-E28 WeakPolarHBondContact O-CG 3.31Å; Q24-E28 PolarHBondContact O-N 2.82Å
25L97.8Very high90.4Very high5 Ų547 Ų473%0.02626%0.256CS..Hα-helixtrans-60.1-42.7176.7-74.2178.4000112.7V20 T21 G22 S29 L150 I153 V185 V190V20-L25 HydrophobicContact CB-CD2 4.45Å; V20-L25 HydrophobicContact CG1-CD1 4.1Å; V20-L25 HydrophobicContact CG1-CD2 3.59Å; V20-L25 HydrophobicContact CG1-CG 3.77Å; V20-L25 HydrophobicContact CG2-CD2 3.98Å; V20-L25 HydrophobicContact CG2-CG 3.96Å; T21-L25 WeakPolarHBondContact O-CG 3.31Å; T21-L25 PolarHBondContact O-N 2.73Å; G22-L25 PolarHBondContact O-N 3.25Å; L25-S29 WeakPolarHBondContact O-CB 3.34Å; L25-S29 PolarHBondContact O-N 3.38Å; L25-S29 PolarHBondContact O-OG 2.82Å; L25-L150 HydrophobicContact CD1-CB 4.04Å; L25-I153 HydrophobicContact CB-CD1 4.5Å; L25-I153 HydrophobicContact CB-CG2 4.35Å; L25-V185 HydrophobicContact CD1-CG1 3.64Å; L25-V190 HydrophobicContact CD1-CG2 4.01Å; L25-V190 HydrophobicContact CD2-CB 4.42Å; L25-V190 HydrophobicContact CD2-CG1 3.85Å; L25-V190 HydrophobicContact CD2-CG2 4.16Å
26I98.3Very high93.1Very high0 Ų048.9 Ų48.90%025%0.247CC..Hα-helixtrans-61.3-50.1176.3-66159.4000109.6G22 A23 Q24 S29 L30 V49 I114 I153 I176G22-I26 WeakPolarHBondContact O-CD1 3.38Å; G22-I26 VanDerWaalsContact O-CG1 3.26Å; G22-I26 WeakPolarHBondContact O-CG1 3.46Å; G22-I26 PolarHBondContact O-N 3.2Å; A23-I26 PolarHBondContact O-N 3.4Å; Q24-I26 VanDerWaalsContact C-N 3.35Å; Q24-I26 PolarHBondContact O-N 3.04Å; I26-S29 PolarHBondContact O-N 3.5Å; I26-L30 HydrophobicContact CG2-CD1 3.87Å; I26-L30 HydrophobicContact CG2-CG 4.35Å; I26-L30 WeakPolarHBondContact O-CB 3.46Å; I26-L30 VanDerWaalsContact O-CG 3.22Å; I26-L30 WeakPolarHBondContact O-CG 3.49Å; I26-L30 PolarHBondContact O-N 3.49Å; I26-V49 HydrophobicContact CB-CG1 4.36Å; I26-V49 HydrophobicContact CD1-CG1 4.48Å; I26-V49 HydrophobicContact CD1-CG2 3.97Å; I26-V49 HydrophobicContact CG2-CG1 3.81Å; I26-I114 HydrophobicContact CG2-CD1 4.39Å; I26-I153 HydrophobicContact CB-CG2 4.45Å; I26-I153 HydrophobicContact CG1-CD1 4.21Å; I26-I153 HydrophobicContact CG1-CG2 3.67Å; I26-I176 HydrophobicContact CD1-CB 4.45Å; I26-I176 HydrophobicContact CD1-CD1 3.82Å; I26-I176 HydrophobicContact CD1-CG1 3.87Å; I26-I176 HydrophobicContact CD1-CG2 3.8Å; I26-I176 HydrophobicContact CG1-CD1 4.28Å
27A98.4Very high95.4Very high1 Ų142.9 Ų42.91%0.00821%0.21CC..Hα-helixtrans-60.8-48.6-179.500000113.1A23 Q24 S29 L30 K31 A52 A53 A56A23-A27 WeakPolarHBondContact O-CB 3.38Å; A23-A27 PolarHBondContact O-N 3.49Å; A23-A27 VanDerWaalsContact O-N 3.08Å; Q24-A27 PolarHBondContact O-N 2.6Å; A27-S29 VanDerWaalsContact C-N 3.31Å; A27-S29 PolarHBondContact O-N 3.16Å; A27-L30 PolarHBondContact O-N 2.88Å; A27-K31 WeakPolarHBondContact O-CB 3.37Å; A27-K31 PolarHBondContact O-N 2.93Å; A27-A52 HydrophobicContact CB-CB 3.71Å; A27-A52 WeakPolarHBondContact CB-O 3.33Å; A27-A53 HydrophobicContact CB-CB 4.42Å; A27-A56 HydrophobicContact CB-CB 4.08Å
28E97.9Very high97.3Very high69 Ų6937.6 Ų37.632%0.32218%0.184SC..Hα-helixtrans-60.9-40.9176.7-72.3176.7-167.300111.1Q24 K31 T32 R187Q24-E28 WeakPolarHBondContact O-CB 3.35Å; Q24-E28 VanDerWaalsContact O-CG 3.32Å; Q24-E28 WeakPolarHBondContact O-CG 3.31Å; Q24-E28 PolarHBondContact O-N 2.82Å; E28-K31 PolarHBondContact O-N 2.96Å; E28-T32 WeakPolarHBondContact O-CB 3.28Å; E28-T32 PolarHBondContact O-N 3.35Å; E28-T32 PolarHBondContact O-OG1 3.08Å; E28-R187 IonicContact OE1-CZ 2.79Å; E28-R187 IonicContact OE1-NH1 3.34Å; E28-R187 IonicContact OE1-NH2 3.15Å; E28-R187 PolarHBondContact OE1-NH2 3.27Å; E28-R187 IonicContact OE2-CZ 3.66Å; E28-R187 IonicContact OE2-NH1 2.71Å; E28-R187 PolarHBondContact OE2-NH1 3.41Å; E28-R187 IonicContact OE2-NH2 3.19Å
29S98.3Very high97.9Very high10 Ų1032.6 Ų32.67%0.0716%0.157CC..Hα-helixtrans-64.6-47.4177.1-61.20000111.5L25 I26 A27 K31 T32 Q33 P154L25-S29 WeakPolarHBondContact O-CB 3.34Å; L25-S29 PolarHBondContact O-N 3.38Å; L25-S29 PolarHBondContact O-OG 2.82Å; I26-S29 PolarHBondContact O-N 3.5Å; A27-S29 VanDerWaalsContact C-N 3.31Å; A27-S29 PolarHBondContact O-N 3.16Å; S29-K31 VanDerWaalsContact C-N 3.34Å; S29-K31 PolarHBondContact O-N 2.89Å; S29-T32 PolarHBondContact O-N 3.45Å; S29-Q33 VanDerWaalsContact O-CG 3.3Å; S29-Q33 WeakPolarHBondContact O-CG 3.38Å; S29-Q33 PolarHBondContact O-N 3.14Å; S29-P154 WeakPolarHBondContact OG-CA 3.39Å
30L98.4Very high98Very high0 Ų028.5 Ų28.50%014%0.138CC..Hα-helixtrans-59.4-45.6176.4-70.6171.4000111.7I26 A27 T32 Q33 K34 V35 M38 I58 L112 I114 I157I26-L30 HydrophobicContact CG2-CD1 3.87Å; I26-L30 HydrophobicContact CG2-CG 4.35Å; I26-L30 WeakPolarHBondContact O-CB 3.46Å; I26-L30 VanDerWaalsContact O-CG 3.22Å; I26-L30 WeakPolarHBondContact O-CG 3.49Å; I26-L30 PolarHBondContact O-N 3.49Å; A27-L30 PolarHBondContact O-N 2.88Å; L30-T32 VanDerWaalsContact C-N 3.35Å; L30-T32 PolarHBondContact O-N 3.49Å; L30-Q33 CarbonylContact O-C 3.48Å; L30-Q33 PolarHBondContact O-N 3.05Å; L30-Q33 VanDerWaalsContact O-N 3.15Å; L30-K34 PolarHBondContact O-N 3.39Å; L30-V35 HydrophobicContact CB-CB 4.17Å; L30-V35 HydrophobicContact CB-CG2 4.49Å; L30-V35 HydrophobicContact CD2-CB 4.44Å; L30-V35 HydrophobicContact CD2-CG2 4.08Å; L30-V35 WeakPolarHBondContact O-CB 3.38Å; L30-V35 PolarHBondContact O-N 2.61Å; L30-M38 HydrophobicContact CD1-CE 3.53Å; L30-I58 HydrophobicContact CB-CD1 3.62Å; L30-I58 HydrophobicContact CD1-CD1 4.28Å; L30-L112 HydrophobicContact CD2-CD2 3.28Å; L30-I114 HydrophobicContact CD1-CD1 3.67Å; L30-I114 HydrophobicContact CD2-CD1 3.88Å; L30-I114 HydrophobicContact CG-CD1 4.3Å; L30-I157 HydrophobicContact CD2-CD1 4.43Å; L30-I157 HydrophobicContact CD2-CG2 3.88Å; L30-I157 HydrophobicContact CG-CG2 4.35Å
31K98.3Very high98.1Very high88 Ų8830.3 Ų30.338%0.38315%0.148SC..Hα-helixtrans-62.2-43.4178-172.862.2170.7-174.20111.4A27 E28 S29 Q33 K34 A56 G57 I58A27-K31 WeakPolarHBondContact O-CB 3.37Å; A27-K31 PolarHBondContact O-N 2.93Å; E28-K31 PolarHBondContact O-N 2.96Å; S29-K31 VanDerWaalsContact C-N 3.34Å; S29-K31 PolarHBondContact O-N 2.89Å; K31-Q33 VanDerWaalsContact C-N 3.25Å; K31-Q33 PolarHBondContact O-N 3.48Å; K31-K34 WeakPolarHBondContact O-CA 3.34Å; K31-K34 PolarHBondContact O-N 2.95Å; K31-A56 HydrophobicContact CB-CB 4.37Å; K31-A56 WeakPolarHBondContact CD-O 3.46Å; K31-A56 VanDerWaalsContact CE-O 3.24Å; K31-A56 WeakPolarHBondContact CE-O 3.46Å; K31-G57 PolarHBondContact NZ-O 2.75Å; K31-I58 HydrophobicContact CD-CG1 4.36Å
32T98.1Very high97.9Very high66 Ų6632 Ų3241%0.40516%0.157SC..Hα-helixtrans-60.4-36.8175.3-60.60000111.7E28 S29 L30 K34 V193 C195E28-T32 WeakPolarHBondContact O-CB 3.28Å; E28-T32 PolarHBondContact O-N 3.35Å; E28-T32 PolarHBondContact O-OG1 3.08Å; S29-T32 PolarHBondContact O-N 3.45Å; L30-T32 VanDerWaalsContact C-N 3.35Å; L30-T32 PolarHBondContact O-N 3.49Å; T32-K34 PolarHBondContact O-N 3.45Å; T32-V193 VanDerWaalsContact CG2-O 3.28Å; T32-V193 WeakPolarHBondContact CG2-O 3.22Å; T32-C195 WeakPolarHBondContact O-CB 3.42Å; T32-C195 PolarHBondContact O-SG 3.33Å; T32-C195 VanDerWaalsContact O-SG 3.37Å
33Q98.3Very high97.6Very high2 Ų233 Ų331%0.00917%0.168CC..THydrogen-bonded Turntrans-78.26.7174.4-62-49.7-48.700114.3S29 L30 K31 V35 I157 V161 S194 C196S29-Q33 VanDerWaalsContact O-CG 3.3Å; S29-Q33 WeakPolarHBondContact O-CG 3.38Å; S29-Q33 PolarHBondContact O-N 3.14Å; L30-Q33 CarbonylContact O-C 3.48Å; L30-Q33 PolarHBondContact O-N 3.05Å; L30-Q33 VanDerWaalsContact O-N 3.15Å; K31-Q33 VanDerWaalsContact C-N 3.25Å; K31-Q33 PolarHBondContact O-N 3.48Å; Q33-V35 VanDerWaalsContact C-N 3.29Å; Q33-V35 PolarHBondContact O-N 3.37Å; Q33-I157 HydrophobicContact CG-CG2 4.22Å; Q33-V161 HydrophobicContact CB-CB 4.27Å; Q33-V161 HydrophobicContact CB-CG1 4.2Å; Q33-V161 HydrophobicContact CB-CG2 3.86Å; Q33-V161 HydrophobicContact CG-CB 4.4Å; Q33-V161 HydrophobicContact CG-CG2 4.14Å; Q33-S194 PolarHBondContact NE2-O 3.37Å; Q33-C196 PolarHBondContact OE1-SG 3.29Å
34K97.8Very high97.2Very high126 Ų12637.6 Ų37.655%0.54820%0.196SC..THydrogen-bonded Turntrans6134.5-179.5-56.1179.5179-175.50113.3L30 K31 T32L30-K34 PolarHBondContact O-N 3.39Å; K31-K34 WeakPolarHBondContact O-CA 3.34Å; K31-K34 PolarHBondContact O-N 2.95Å; T32-K34 PolarHBondContact O-N 3.45Å
35V98.4Very high97Very high1 Ų134.5 Ų34.51%0.00618%0.182CC..  trans-77.2120.3164.9178.90000107.7L30 Q33 A85 V161L30-V35 HydrophobicContact CB-CB 4.17Å; L30-V35 HydrophobicContact CB-CG2 4.49Å; L30-V35 HydrophobicContact CD2-CB 4.44Å; L30-V35 HydrophobicContact CD2-CG2 4.08Å; L30-V35 WeakPolarHBondContact O-CB 3.38Å; L30-V35 PolarHBondContact O-N 2.61Å; Q33-V35 VanDerWaalsContact C-N 3.29Å; Q33-V35 PolarHBondContact O-N 3.37Å; V35-A85 HydrophobicContact CG1-CB 3.87Å; V35-V161 HydrophobicContact CG2-CG2 4.32Å
36E98Very high96.9Very high106 Ų10634.2 Ų34.250%0.49518%0.181SC..  trans-107.7-26-174.2-64.7-172.8116.900113.5K59E36-K59 PolarHBondContact O-N 3.22Å
37Y98.5Very high96.8Very high8 Ų837.4 Ų37.43%0.03120%0.197CC..EExtended strand (participates in β ladder)trans-126.1134.9-174.7-55.4-92000110.3K59 V76 A85 A447 V448 T451Y37-K59 HydrophobicContact CD1-CB 4.07Å; Y37-K59 HydrophobicContact CD1-CD 4.32Å; Y37-K59 HydrophobicContact CE1-CB 4.48Å; Y37-K59 HydrophobicContact CE1-CD 3.88Å; Y37-V76 HydrophobicContact CD2-CG1 3.71Å; Y37-V76 HydrophobicContact CG-CG1 4.23Å; Y37-V76 HydrophobicContact CG-CG2 4.43Å; Y37-A85 PolarHBondContact O-N 2.94Å; Y37-A447 HydrophobicContact CD1-CB 4.33Å; Y37-A447 HydrophobicContact CE1-CB 4.35Å; Y37-V448 HydrophobicContact CE1-CG2 4.44Å; Y37-V448 HydrophobicContact CE2-CG2 4.07Å; Y37-T451 HydrophobicContact CE1-CG2 4.21Å; Y37-T451 WeakPolarHBondContact OH-CG2 3.46Å; Y37-T451 PolarHBondContact OH-OG1 3.11Å; Y37-T451 VanDerWaalsContact OH-OG1 3.07Å
38M98.7Very high96.8Very high0 Ų040.6 Ų40.60%021%0.212CC..EExtended strand (participates in β ladder)trans-129.3126.5175.3-177.1179.6-7300108.6L30 A53 I58 K59 Y60 V61 A85 L87L30-M38 HydrophobicContact CD1-CE 3.53Å; M38-A53 HydrophobicContact CE-CB 3.76Å; M38-A53 HydrophobicContact SD-CB 3.97Å; M38-I58 HydrophobicContact CB-CG2 3.79Å; M38-K59 PolarHBondContact N-O 2.88Å; M38-Y60 HydrophobicContact CB-CD2 4.09Å; M38-Y60 HydrophobicContact CG-CD2 3.76Å; M38-Y60 HydrophobicContact CG-CE2 4.1Å; M38-Y60 CarbonylContact O-C 3.47Å; M38-Y60 VanDerWaalsContact O-CA 3.3Å; M38-Y60 WeakPolarHBondContact O-CA 3.42Å; M38-Y60 HydrophobicContact SD-CD2 3.75Å; M38-Y60 HydrophobicContact SD-CE2 4.13Å; M38-V61 PolarHBondContact O-N 3.3Å; M38-A85 CarbonylContact C-O 3.48Å; M38-A85 WeakPolarHBondContact CA-O 3.42Å; M38-A85 HydrophobicContact CB-CB 4.11Å; M38-A85 HydrophobicContact CE-CB 4.07Å; M38-A85 HydrophobicContact CG-CB 4Å; M38-L87 HydrophobicContact CG-CB 4Å; M38-L87 HydrophobicContact SD-CB 3.85Å; M38-L87 HydrophobicContact SD-CD2 3.79Å; M38-L87 HydrophobicContact SD-CG 4.29Å
39F98.6Very high96.8Very high0 Ų037.3 Ų37.30%020%0.197CC..EExtended strand (participates in β ladder)trans-113.4143.2175.4-56-95.1000107.6V61 M63 A69 A72 A73 V76 A85 C86 L87 I443 A444 A447F39-V61 WeakPolarHBondContact CA-O 3.24Å; F39-V61 HydrophobicContact CD1-CB 3.61Å; F39-V61 HydrophobicContact CD1-CG1 3.99Å; F39-V61 HydrophobicContact CD1-CG2 4.11Å; F39-V61 HydrophobicContact CE1-CB 3.87Å; F39-V61 HydrophobicContact CE1-CG1 4.24Å; F39-V61 HydrophobicContact CE1-CG2 3.85Å; F39-V61 HydrophobicContact CG-CB 4.47Å; F39-M63 HydrophobicContact CB-CG 4.16Å; F39-M63 HydrophobicContact CD1-SD 4.12Å; F39-A69 HydrophobicContact CB-CB 4.07Å; F39-A69 WeakPolarHBondContact CB-O 3.33Å; F39-A72 HydrophobicContact CB-CB 4.26Å; F39-A72 HydrophobicContact CD1-CB 3.53Å; F39-A72 HydrophobicContact CD2-CB 4.18Å; F39-A72 HydrophobicContact CE1-CB 3.89Å; F39-A72 HydrophobicContact CE2-CB 4.48Å; F39-A72 HydrophobicContact CG-CB 3.71Å; F39-A72 HydrophobicContact CZ-CB 4.35Å; F39-A73 HydrophobicContact CD2-CB 3.88Å; F39-V76 HydrophobicContact CE2-CB 4.37Å; F39-V76 HydrophobicContact CE2-CG2 3.47Å; F39-V76 VanDerWaalsContact CE2-CG2 3.47Å; F39-V76 HydrophobicContact CZ-CG2 3.63Å; F39-A85 PolarHBondContact N-O 3.47Å; F39-C86 CarbonylContact O-C 3.51Å; F39-C86 WeakPolarHBondContact O-CA 3.25Å; F39-L87 PolarHBondContact O-N 2.89Å; F39-I443 HydrophobicContact CE1-CG2 4.16Å; F39-A444 HydrophobicContact CZ-CB 4.18Å; F39-A447 HydrophobicContact CZ-CB 4.44Å
40G97.4Very high96.8Very high0 Ų037 Ų370%020%0.195CC..EExtended strand (participates in β ladder)trans175.6-177.4-179.300000115.5Y60 V61 G62 M63 L87G40-Y60 PolarHBondContact O-OH 3.45Å; G40-V61 PolarHBondContact N-O 3.12Å; G40-V61 VanDerWaalsContact N-O 3.13Å; G40-G62 CarbonylContact O-C 3.57Å; G40-G62 WeakPolarHBondContact O-CA 3.3Å; G40-M63 PolarHBondContact O-N 3.45Å; G40-L87 WeakPolarHBondContact CA-O 3.46Å
41I96.8Very high96.8Very high39 Ų3942.7 Ų42.720%0.222%0.223CC..  trans-123.1128168.3-61.6-173.8000107Y60 M63 R64 E66 L87I41-Y60 PolarHBondContact N-OH 3.28Å; I41-M63 WeakPolarHBondContact CG1-O 3.37Å; I41-R64 WeakPolarHBondContact CD1-O 3.37Å; I41-E66 HydrophobicContact CB-CG 4.15Å; I41-E66 HydrophobicContact CD1-CG 4.04Å; I41-E66 HydrophobicContact CG1-CG 4.18Å; I41-L87 PolarHBondContact N-O 3.28Å; I41-L87 VanDerWaalsContact N-O 3.13Å
42V94.1Very high96.8Very high65 Ų6539.2 Ų39.239%0.39421%0.211SC..  trans-89.6146.8175.2-71.50000110.6I47 A50 Y60 L87V42-I47 HydrophobicContact CB-CG1 4.31Å; V42-A50 HydrophobicContact CG1-CB 3.36Å; V42-Y60 HydrophobicContact CG1-CE1 4.48Å; V42-L87 HydrophobicContact CG1-CD2 4.5Å
43G91.4Very high96.8Very high21 Ų2136 Ų3622%0.21619%0.191CC..  trans-177.5171.517200000107.5I46 V89G43-I46 PolarHBondContact O-N 3.16Å; G43-V89 VanDerWaalsContact CA-CG1 3.5Å; G43-V89 VanDerWaalsContact N-CG1 3.33Å
44V90.2Very high96.8Very high100 Ų10041.1 Ų41.161%0.60622%0.215SC*.THydrogen-bonded Turntrans-57.7132.6177.1178.40000108.8I47V44-I47 HydrophobicContact CG2-CD1 4.39Å
45P93.1Very high96.8Very high17 Ų1739.4 Ų39.411%0.1123%0.225CC..THydrogen-bonded Turncis-102.516.36.940-36.3000115.2V181P45-V181 WeakPolarHBondContact O-CG1 3.29Å; P45-V181 WeakPolarHBondContact O-CG2 3.12Å
46I96.1Very high96.8Very high0 Ų040.8 Ų40.80%024%0.236CC..SBendtrans-1045.2-162.8-128.460.5000115.1G43 E48 V49 A50 L87 I176 V181G43-I46 PolarHBondContact O-N 3.16Å; I46-E48 VanDerWaalsContact C-N 3.32Å; I46-E48 PolarHBondContact O-N 3.33Å; I46-V49 HydrophobicContact CD1-CG2 3.79Å; I46-V49 HydrophobicContact CG1-CB 4.11Å; I46-V49 HydrophobicContact CG1-CG2 3.91Å; I46-V49 WeakPolarHBondContact O-CB 3.12Å; I46-V49 PolarHBondContact O-N 3Å; I46-V49 VanDerWaalsContact O-N 3.16Å; I46-A50 PolarHBondContact O-N 3.03Å; I46-L87 HydrophobicContact CG1-CD1 3.68Å; I46-L87 HydrophobicContact CG1-CG 4.26Å; I46-L87 HydrophobicContact CG2-CD1 4.11Å; I46-L87 HydrophobicContact CG2-CD2 3.84Å; I46-L87 HydrophobicContact CG2-CG 3.71Å; I46-I176 HydrophobicContact CD1-CB 4.31Å; I46-V181 HydrophobicContact CD1-CG2 4.01Å
47I96.9Very high96.7Very high66 Ų6637.8 Ų37.834%0.33823%0.233SC..Hα-helixtrans-56.2-47.3-177.4-60.9172.7000110.8V42 V44 V49 A50 M51V42-I47 HydrophobicContact CB-CG1 4.31Å; V44-I47 HydrophobicContact CG2-CD1 4.39Å; I47-V49 VanDerWaalsContact C-N 3.27Å; I47-V49 PolarHBondContact O-N 2.85Å; I47-A50 WeakPolarHBondContact O-CB 3.49Å; I47-A50 PolarHBondContact O-N 3.39Å; I47-A50 VanDerWaalsContact O-N 3.14Å; I47-M51 HydrophobicContact CG2-SD 4.12Å; I47-M51 PolarHBondContact O-N 3.18Å; I47-M51 VanDerWaalsContact O-N 3.09Å
48E97.8Very high96.7Very high68 Ų6837.6 Ų37.632%0.31823%0.233SC..Hα-helixtrans-66.7-30.1-176.7-65.189.7155.200111.9A23 I46 M51 A52 V181 N182A23-E48 HydrophobicContact CB-CB 3.91Å; I46-E48 VanDerWaalsContact C-N 3.32Å; I46-E48 PolarHBondContact O-N 3.33Å; E48-M51 PolarHBondContact O-N 3.38Å; E48-A52 WeakPolarHBondContact O-CB 3.29Å; E48-A52 PolarHBondContact O-N 3.09Å; E48-V181 HydrophobicContact CB-CG1 3.95Å; E48-N182 WeakPolarHBondContact CG-OD1 3.26Å; E48-N182 PolarHBondContact OE1-ND2 3.06Å
49V98.1Very high96.7Very high0 Ų042.5 Ų42.50%025%0.254CS..Hα-helixtrans-64.9-43.2173.9-178.50000110.6A23 I26 I46 I47 A52 A53 L87 V181A23-V49 HydrophobicContact CB-CG2 4.21Å; I26-V49 HydrophobicContact CB-CG1 4.36Å; I26-V49 HydrophobicContact CD1-CG1 4.48Å; I26-V49 HydrophobicContact CD1-CG2 3.97Å; I26-V49 HydrophobicContact CG2-CG1 3.81Å; I46-V49 HydrophobicContact CD1-CG2 3.79Å; I46-V49 HydrophobicContact CG1-CB 4.11Å; I46-V49 HydrophobicContact CG1-CG2 3.91Å; I46-V49 WeakPolarHBondContact O-CB 3.12Å; I46-V49 PolarHBondContact O-N 3Å; I46-V49 VanDerWaalsContact O-N 3.16Å; I47-V49 VanDerWaalsContact C-N 3.27Å; I47-V49 PolarHBondContact O-N 2.85Å; V49-A52 PolarHBondContact O-N 2.97Å; V49-A53 VanDerWaalsContact O-CB 3.28Å; V49-A53 WeakPolarHBondContact O-CB 3.41Å; V49-A53 PolarHBondContact O-N 2.97Å; V49-L87 HydrophobicContact CB-CD1 4.42Å; V49-L87 HydrophobicContact CG1-CD1 3.97Å; V49-L87 HydrophobicContact CG1-CD2 4.49Å; V49-V181 HydrophobicContact CG2-CG1 3.96Å; V49-V181 HydrophobicContact CG2-CG2 4.45Å
50A97.8Very high96.6Very high4 Ų443.6 Ų43.63%0.03326%0.258CS..Hα-helixtrans-64.3-44.6176.600000111.7V42 I46 I47 A53 Q54 Y60 L87V42-A50 HydrophobicContact CG1-CB 3.36Å; I46-A50 PolarHBondContact O-N 3.03Å; I47-A50 WeakPolarHBondContact O-CB 3.49Å; I47-A50 PolarHBondContact O-N 3.39Å; I47-A50 VanDerWaalsContact O-N 3.14Å; A50-A53 PolarHBondContact O-N 3.26Å; A50-Q54 WeakPolarHBondContact O-CG 3.32Å; A50-Q54 PolarHBondContact O-N 2.88Å; A50-Y60 HydrophobicContact CB-CD2 4.14Å; A50-Y60 HydrophobicContact CB-CE2 3.99Å; A50-L87 HydrophobicContact CB-CD2 3.66Å
51M98Very high96.6Very high119 Ų11944 Ų4459%0.58626%0.261SS*.Hα-helixtrans-62.3-44.3177.6-67.3179.667.100111.6I47 E48 Q54 A55I47-M51 HydrophobicContact CG2-SD 4.12Å; I47-M51 PolarHBondContact O-N 3.18Å; I47-M51 VanDerWaalsContact O-N 3.09Å; E48-M51 PolarHBondContact O-N 3.38Å; M51-Q54 PolarHBondContact O-N 2.94Å; M51-A55 WeakPolarHBondContact O-CB 3.47Å; M51-A55 PolarHBondContact O-N 3.47Å
52A98.3Very high96.6Very high15 Ų1542.5 Ų42.512%0.12426%0.255CS..Hα-helixtrans-63.9-40.517600000111.7A23 A27 E48 V49 Q54 A55 A56A23-A52 HydrophobicContact CB-CB 4.15Å; A23-A52 WeakPolarHBondContact O-CB 3.46Å; A27-A52 HydrophobicContact CB-CB 3.71Å; A27-A52 WeakPolarHBondContact CB-O 3.33Å; E48-A52 WeakPolarHBondContact O-CB 3.29Å; E48-A52 PolarHBondContact O-N 3.09Å; V49-A52 PolarHBondContact O-N 2.97Å; A52-Q54 PolarHBondContact O-N 3.48Å; A52-A55 PolarHBondContact O-N 3.3Å; A52-A56 WeakPolarHBondContact O-CB 3.37Å; A52-A56 PolarHBondContact O-N 3.38Å
53A98.3Very high96.8Very high0 Ų039.8 Ų39.80%024%0.238CC..Hα-helixtrans-60.9-44.9176.100000111.5A27 M38 V49 A50 A56 G57 I58A27-A53 HydrophobicContact CB-CB 4.42Å; M38-A53 HydrophobicContact CE-CB 3.76Å; M38-A53 HydrophobicContact SD-CB 3.97Å; V49-A53 VanDerWaalsContact O-CB 3.28Å; V49-A53 WeakPolarHBondContact O-CB 3.41Å; V49-A53 PolarHBondContact O-N 2.97Å; A50-A53 PolarHBondContact O-N 3.26Å; A53-A56 PolarHBondContact O-N 3.04Å; A53-G57 PolarHBondContact O-N 3.41Å; A53-I58 HydrophobicContact CB-CB 4.14Å; A53-I58 HydrophobicContact CB-CD1 4.11Å; A53-I58 VanDerWaalsContact O-CB 3.28Å; A53-I58 WeakPolarHBondContact O-CB 3.45Å; A53-I58 PolarHBondContact O-N 3.03Å
54Q97.6Very high97Very high108 Ų10845.1 Ų45.151%0.50525%0.251SS..Hα-helixtrans-61.5-44.8174.2-71.4-175.8-65.100111.9A50 M51 A52 A56 G57 Y60A50-Q54 WeakPolarHBondContact O-CG 3.32Å; A50-Q54 PolarHBondContact O-N 2.88Å; M51-Q54 PolarHBondContact O-N 2.94Å; A52-Q54 PolarHBondContact O-N 3.48Å; Q54-A56 VanDerWaalsContact C-N 3.25Å; Q54-A56 PolarHBondContact O-N 3.36Å; Q54-G57 WeakPolarHBondContact O-CA 3.44Å; Q54-G57 PolarHBondContact O-N 2.99Å; Q54-Y60 HydrophobicContact CG-CG 4.49Å
55A98.2Very high97.3Very high91 Ų9143.3 Ų43.375%0.75224%0.238SC*.Hα-helixtrans-61.3-33.1176.900000112.7M51 A52 G57M51-A55 WeakPolarHBondContact O-CB 3.47Å; M51-A55 PolarHBondContact O-N 3.47Å; A52-A55 PolarHBondContact O-N 3.3Å; A55-G57 PolarHBondContact O-N 3.49Å
56A97.9Very high97.6Very high30 Ų3043.3 Ų43.325%0.24824%0.237CC..THydrogen-bonded Turntrans-76.9-0.5173.200000113.8A27 K31 A52 A53 Q54A27-A56 HydrophobicContact CB-CB 4.08Å; K31-A56 HydrophobicContact CB-CB 4.37Å; K31-A56 WeakPolarHBondContact CD-O 3.46Å; K31-A56 VanDerWaalsContact CE-O 3.24Å; K31-A56 WeakPolarHBondContact CE-O 3.46Å; A52-A56 WeakPolarHBondContact O-CB 3.37Å; A52-A56 PolarHBondContact O-N 3.38Å; A53-A56 PolarHBondContact O-N 3.04Å; Q54-A56 VanDerWaalsContact C-N 3.25Å; Q54-A56 PolarHBondContact O-N 3.36Å
57G97.4Very high97.6Very high42 Ų4246.3 Ų46.343%0.43325%0.251SS..THydrogen-bonded Turntrans78.529.4-179.900000114K31 A53 Q54 A55K31-G57 PolarHBondContact NZ-O 2.75Å; A53-G57 PolarHBondContact O-N 3.41Å; Q54-G57 WeakPolarHBondContact O-CA 3.44Å; Q54-G57 PolarHBondContact O-N 2.99Å; A55-G57 PolarHBondContact O-N 3.49Å
58I98.3Very high97.7Very high4 Ų443.4 Ų43.42%0.02124%0.236CC..  trans-87.2134.2164.7-57.9178.5000107.9L30 K31 M38 A53 Y60L30-I58 HydrophobicContact CB-CD1 3.62Å; L30-I58 HydrophobicContact CD1-CD1 4.28Å; K31-I58 HydrophobicContact CD-CG1 4.36Å; M38-I58 HydrophobicContact CB-CG2 3.79Å; A53-I58 HydrophobicContact CB-CB 4.14Å; A53-I58 HydrophobicContact CB-CD1 4.11Å; A53-I58 VanDerWaalsContact O-CB 3.28Å; A53-I58 WeakPolarHBondContact O-CB 3.45Å; A53-I58 PolarHBondContact O-N 3.03Å; I58-Y60 PolarHBondContact O-N 2.81Å
59K97.4Very high97.7Very high103 Ų10340.1 Ų40.145%0.44822%0.221SC..EExtended strand (participates in β ladder)trans-80.3103.9179.5-63.4-175.1177.7-164.70109.5E36 Y37 M38 T451E36-K59 PolarHBondContact O-N 3.22Å; Y37-K59 HydrophobicContact CD1-CB 4.07Å; Y37-K59 HydrophobicContact CD1-CD 4.32Å; Y37-K59 HydrophobicContact CE1-CB 4.48Å; Y37-K59 HydrophobicContact CE1-CD 3.88Å; M38-K59 PolarHBondContact N-O 2.88Å; K59-T451 HydrophobicContact CD-CG2 4.26Å
60Y97.6Very high97.7Very high23 Ų2340.1 Ų40.19%0.0922%0.221CC..EExtended strand (participates in β ladder)trans-87124.2176.2-174.8-94.1000111.5M38 G40 I41 V42 A50 Q54 I58 L87 Y481M38-Y60 HydrophobicContact CB-CD2 4.09Å; M38-Y60 HydrophobicContact CG-CD2 3.76Å; M38-Y60 HydrophobicContact CG-CE2 4.1Å; M38-Y60 CarbonylContact O-C 3.47Å; M38-Y60 VanDerWaalsContact O-CA 3.3Å; M38-Y60 WeakPolarHBondContact O-CA 3.42Å; M38-Y60 HydrophobicContact SD-CD2 3.75Å; M38-Y60 HydrophobicContact SD-CE2 4.13Å; G40-Y60 PolarHBondContact O-OH 3.45Å; I41-Y60 PolarHBondContact N-OH 3.28Å; V42-Y60 HydrophobicContact CG1-CE1 4.48Å; A50-Y60 HydrophobicContact CB-CD2 4.14Å; A50-Y60 HydrophobicContact CB-CE2 3.99Å; Q54-Y60 HydrophobicContact CG-CG 4.49Å; I58-Y60 PolarHBondContact O-N 2.81Å; Y60-L87 HydrophobicContact CE2-CB 4.43Å; Y60-L87 HydrophobicContact CE2-CD2 4.12Å; Y60-Y481 PolarHBondContact O-OH 3.47Å
61V97.6Very high97.8Very high10 Ų1040.1 Ų40.16%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-114.4105.2173.6-176.60000108.2M38 F39 G40 M63 I443 T476 Y481M38-V61 PolarHBondContact O-N 3.3Å; F39-V61 WeakPolarHBondContact CA-O 3.24Å; F39-V61 HydrophobicContact CD1-CB 3.61Å; F39-V61 HydrophobicContact CD1-CG1 3.99Å; F39-V61 HydrophobicContact CD1-CG2 4.11Å; F39-V61 HydrophobicContact CE1-CB 3.87Å; F39-V61 HydrophobicContact CE1-CG1 4.24Å; F39-V61 HydrophobicContact CE1-CG2 3.85Å; F39-V61 HydrophobicContact CG-CB 4.47Å; G40-V61 PolarHBondContact N-O 3.12Å; G40-V61 VanDerWaalsContact N-O 3.13Å; V61-M63 HydrophobicContact CG1-SD 3.83Å; V61-M63 PolarHBondContact O-N 3.01Å; V61-I443 HydrophobicContact CG1-CG2 4.02Å; V61-T476 HydrophobicContact CG1-CG2 4.03Å; V61-Y481 WeakPolarHBondContact CA-OH 3.41Å; V61-Y481 HydrophobicContact CB-CE2 4.35Å; V61-Y481 HydrophobicContact CG1-CD2 3.81Å; V61-Y481 HydrophobicContact CG1-CE2 3.63Å; V61-Y481 HydrophobicContact CG1-CG 4.47Å
62G97.2Very high97.8Very high6 Ų634.5 Ų34.56%0.06219%0.192CC..EExtended strand (participates in β ladder)trans-71.1122.9174.800000109.9G40 T476 R480 Y481G40-G62 CarbonylContact O-C 3.57Å; G40-G62 WeakPolarHBondContact O-CA 3.3Å; G62-T476 WeakPolarHBondContact O-CG2 3.27Å; G62-R480 VanDerWaalsContact C-NH1 3.31Å; G62-R480 PolarHBondContact O-NH1 3.35Å; G62-R480 PolarHBondContact O-NH2 3.42Å; G62-Y481 PolarHBondContact N-OH 2.99Å
63M97.4Very high97.8Very high9 Ų933.8 Ų33.84%0.04419%0.187CC..  trans-101.1174.8-178.7-57-69.9-70.900110.2F39 G40 I41 V61 A68 A69 A72 I443 E473 T476F39-M63 HydrophobicContact CB-CG 4.16Å; F39-M63 HydrophobicContact CD1-SD 4.12Å; G40-M63 PolarHBondContact O-N 3.45Å; I41-M63 WeakPolarHBondContact CG1-O 3.37Å; V61-M63 HydrophobicContact CG1-SD 3.83Å; V61-M63 PolarHBondContact O-N 3.01Å; M63-A68 HydrophobicContact CE-CB 4.16Å; M63-A69 HydrophobicContact CB-CB 3.9Å; M63-A69 HydrophobicContact CG-CB 3.64Å; M63-A72 HydrophobicContact CE-CB 4.19Å; M63-I443 HydrophobicContact CE-CD1 3.96Å; M63-I443 HydrophobicContact CE-CG2 4.45Å; M63-I443 HydrophobicContact SD-CD1 4.4Å; M63-I443 HydrophobicContact SD-CG2 4.12Å; M63-E473 HydrophobicContact CE-CG 4.28Å; M63-E473 WeakPolarHBondContact CE-OE2 3.33Å; M63-T476 HydrophobicContact SD-CG2 3.91Å
64R96.4Very high97.8Very high133 Ų13333.8 Ų33.850%0.50219%0.187SC..SBendtrans-97.9-19.6175.3-67.1-66-62.2-137.7-2.5112.9I41 M472 E473 E475I41-R64 WeakPolarHBondContact CD1-O 3.37Å; R64-M472 HydrophobicContact CB-CG 4.26Å; R64-M472 HydrophobicContact CG-CG 4.18Å; R64-E473 WeakPolarHBondContact CA-OE1 3.48Å; R64-E473 WeakPolarHBondContact CB-OE1 3.2Å; R64-E473 PolarHBondContact N-OE1 3.12Å; R64-E473 PolarHBondContact N-OE2 3.1Å; R64-E475 WeakPolarHBondContact CD-OE2 3.26Å
65N96.4Very high97.9Very high61 Ų6128.6 Ų28.633%0.32616%0.163SC..  trans-137.8137.7173.5-171.1-77.3000112.1Q67 A68 A69 E473N65-Q67 VanDerWaalsContact C-N 3.28Å; N65-Q67 PolarHBondContact O-N 3.39Å; N65-Q67 WeakPolarHBondContact OD1-CA 3.19Å; N65-Q67 WeakPolarHBondContact OD1-CB 3.42Å; N65-Q67 PolarHBondContact OD1-N 2.86Å; N65-A68 HydrophobicContact CB-CB 4.27Å; N65-A68 PolarHBondContact O-N 3.37Å; N65-A69 PolarHBondContact O-N 3.47Å; N65-E473 PolarHBondContact N-OE1 3.45Å
66E98Very high97.9Very high18 Ų1824.4 Ų24.48%0.08413%0.127CC..Hα-helixtrans-65.5-29.4179.9-61.889.6164.600113.1I41 A69 C70 V88 G93 H96 A97I41-E66 HydrophobicContact CB-CG 4.15Å; I41-E66 HydrophobicContact CD1-CG 4.04Å; I41-E66 HydrophobicContact CG1-CG 4.18Å; E66-A69 WeakPolarHBondContact O-CB 3.41Å; E66-A69 PolarHBondContact O-N 3.27Å; E66-C70 WeakPolarHBondContact O-CB 3.38Å; E66-C70 PolarHBondContact O-N 3.34Å; E66-V88 HydrophobicContact CB-CG1 3.86Å; E66-V88 HydrophobicContact CG-CB 4.28Å; E66-V88 HydrophobicContact CG-CG1 3.81Å; E66-G93 WeakPolarHBondContact CB-O 3.43Å; E66-G93 WeakPolarHBondContact CG-O 3.08Å; E66-G93 WeakPolarHBondContact OE1-CA 3.25Å; E66-H96 HydrophobicContact CB-CB 3.92Å; E66-H96 IonicContact OE2-CG 2.91Å; E66-H96 IonicContact OE2-ND1 3.48Å; E66-H96 PolarHBondContact OE2-ND1 2.9Å; E66-A97 HydrophobicContact CB-CB 4.23Å
67Q97.4Very high97.9Very high63 Ų6323 Ų2329%0.29412%0.116SC..Hα-helixtrans-62.1-48.6173-161.9-169.152.400110.4N65 A69 C70 Y71 H96N65-Q67 VanDerWaalsContact C-N 3.28Å; N65-Q67 PolarHBondContact O-N 3.39Å; N65-Q67 WeakPolarHBondContact OD1-CA 3.19Å; N65-Q67 WeakPolarHBondContact OD1-CB 3.42Å; N65-Q67 PolarHBondContact OD1-N 2.86Å; Q67-A69 VanDerWaalsContact C-N 3.33Å; Q67-A69 PolarHBondContact O-N 3.39Å; Q67-C70 PolarHBondContact O-N 3.29Å; Q67-Y71 HydrophobicContact CB-CE2 4.48Å; Q67-Y71 HydrophobicContact CG-CD2 4.45Å; Q67-Y71 HydrophobicContact CG-CE1 4.35Å; Q67-Y71 HydrophobicContact CG-CE2 3.62Å; Q67-Y71 WeakPolarHBondContact CG-OH 3.38Å; Q67-Y71 PolarHBondContact NE2-OH 3.21Å; Q67-Y71 WeakPolarHBondContact O-CD2 3.23Å; Q67-Y71 PolarHBondContact O-N 3.08Å; Q67-H96 VanDerWaalsContact CB-O 3.31Å; Q67-H96 WeakPolarHBondContact CB-O 3.48Å
68A98.1Very high97.9Very high4 Ų421 Ų213%0.03310%0.095CC..Hα-helixtrans-64.5-37.4176.900000112.1M63 N65 Y71 A72 E473M63-A68 HydrophobicContact CE-CB 4.16Å; N65-A68 HydrophobicContact CB-CB 4.27Å; N65-A68 PolarHBondContact O-N 3.37Å; A68-Y71 PolarHBondContact O-N 3.14Å; A68-A72 WeakPolarHBondContact O-CB 3.36Å; A68-A72 PolarHBondContact O-N 3Å; A68-E473 HydrophobicContact CB-CG 3.93Å
69A98.5Very high97.9Very high0 Ų021.3 Ų21.30%010%0.097CC..Hα-helixtrans-60.1-44.4172.300000112.3F39 M63 N65 E66 Q67 A72 A73F39-A69 HydrophobicContact CB-CB 4.07Å; F39-A69 WeakPolarHBondContact CB-O 3.33Å; M63-A69 HydrophobicContact CB-CB 3.9Å; M63-A69 HydrophobicContact CG-CB 3.64Å; N65-A69 PolarHBondContact O-N 3.47Å; E66-A69 WeakPolarHBondContact O-CB 3.41Å; E66-A69 PolarHBondContact O-N 3.27Å; Q67-A69 VanDerWaalsContact C-N 3.33Å; Q67-A69 PolarHBondContact O-N 3.39Å; A69-A72 PolarHBondContact O-N 3.28Å; A69-A73 WeakPolarHBondContact O-CB 3.44Å; A69-A73 PolarHBondContact O-N 2.94Å
70C98.6Very high97.8Very high0 Ų018.2 Ų18.20%09%0.086CC..Hα-helixtrans-68.1-36.9178.4-167.90000111.8E66 Q67 S74 C86 A97 M101E66-C70 WeakPolarHBondContact O-CB 3.38Å; E66-C70 PolarHBondContact O-N 3.34Å; Q67-C70 PolarHBondContact O-N 3.29Å; C70-S74 WeakPolarHBondContact O-CB 3.28Å; C70-S74 PolarHBondContact O-N 2.99Å; C70-S74 PolarHBondContact O-OG 2.79Å; C70-C86 HydrophobicContact CB-CB 4.38Å; C70-A97 HydrophobicContact CB-CB 4.32Å; C70-M101 PolarHBondContact SG-N 3.42Å
71Y98.6Very high97.7Very high4 Ų418.1 Ų18.12%0.0169%0.093CC..Hα-helixtrans-59.7-48.9170.9-62.9-35.5000111.3Q67 A68 A73 S74 A75 G100 N103 T434 V437 F441Q67-Y71 HydrophobicContact CB-CE2 4.48Å; Q67-Y71 HydrophobicContact CG-CD2 4.45Å; Q67-Y71 HydrophobicContact CG-CE1 4.35Å; Q67-Y71 HydrophobicContact CG-CE2 3.62Å; Q67-Y71 WeakPolarHBondContact CG-OH 3.38Å; Q67-Y71 PolarHBondContact NE2-OH 3.21Å; Q67-Y71 WeakPolarHBondContact O-CD2 3.23Å; Q67-Y71 PolarHBondContact O-N 3.08Å; A68-Y71 PolarHBondContact O-N 3.14Å; Y71-A73 PolarHBondContact O-N 3.03Å; Y71-S74 PolarHBondContact O-N 2.84Å; Y71-S74 PolarHBondContact O-OG 3.37Å; Y71-A75 PolarHBondContact O-N 3.38Å; Y71-G100 VanDerWaalsContact CE1-CA 3.47Å; Y71-N103 HydrophobicContact CD1-CB 4.08Å; Y71-N103 HydrophobicContact CE1-CB 3.67Å; Y71-T434 HydrophobicContact CE1-CG2 4.18Å; Y71-T434 VanDerWaalsContact OH-CG2 3.27Å; Y71-T434 WeakPolarHBondContact OH-CG2 3.48Å; Y71-V437 HydrophobicContact CD1-CG1 3.88Å; Y71-V437 HydrophobicContact CD2-CB 4.31Å; Y71-V437 HydrophobicContact CD2-CG1 3.97Å; Y71-V437 HydrophobicContact CE1-CG1 3.87Å; Y71-V437 HydrophobicContact CE2-CG1 3.97Å; Y71-V437 HydrophobicContact CG-CB 4.35Å; Y71-V437 HydrophobicContact CG-CG1 3.95Å; Y71-F441 WeakPolarHBondContact O-CD1 3.48Å; Y71-F441 VanDerWaalsContact O-CE1 3.27Å; Y71-F441 WeakPolarHBondContact O-CE1 3.49Å
72A98.6Very high97.6Very high0 Ų020 Ų200%010%0.098CC..Hα-helixtrans-58-49.3177.500000112.3F39 M63 A68 A69 S74 A75 V76 G440 A444F39-A72 HydrophobicContact CB-CB 4.26Å; F39-A72 HydrophobicContact CD1-CB 3.53Å; F39-A72 HydrophobicContact CD2-CB 4.18Å; F39-A72 HydrophobicContact CE1-CB 3.89Å; F39-A72 HydrophobicContact CE2-CB 4.48Å; F39-A72 HydrophobicContact CG-CB 3.71Å; F39-A72 HydrophobicContact CZ-CB 4.35Å; M63-A72 HydrophobicContact CE-CB 4.19Å; A68-A72 WeakPolarHBondContact O-CB 3.36Å; A68-A72 PolarHBondContact O-N 3Å; A69-A72 PolarHBondContact O-N 3.28Å; A72-S74 VanDerWaalsContact C-N 3.29Å; A72-S74 PolarHBondContact O-N 3.13Å; A72-A75 PolarHBondContact O-N 3.2Å; A72-A75 VanDerWaalsContact O-N 3.15Å; A72-V76 PolarHBondContact O-N 3.35Å; A72-V76 VanDerWaalsContact O-N 3.1Å; A72-G440 WeakPolarHBondContact CA-O 3.27Å; A72-G440 WeakPolarHBondContact CB-O 3.46Å; A72-A444 HydrophobicContact CB-CB 4.03Å; A72-A444 WeakPolarHBondContact O-CB 3.43Å
73A98.8Very high97.7Very high0 Ų019.8 Ų19.80%010%0.096CC..Hα-helixtrans-59.3-39.7177.800000112.4F39 A69 Y71 V76 G77 G84 A85 C86 V111F39-A73 HydrophobicContact CD2-CB 3.88Å; A69-A73 WeakPolarHBondContact O-CB 3.44Å; A69-A73 PolarHBondContact O-N 2.94Å; Y71-A73 PolarHBondContact O-N 3.03Å; A73-V76 PolarHBondContact O-N 3.37Å; A73-G77 PolarHBondContact O-N 2.76Å; A73-G77 VanDerWaalsContact O-N 3.15Å; A73-G84 WeakPolarHBondContact O-CA 3.45Å; A73-A85 WeakPolarHBondContact CB-O 3.29Å; A73-C86 HydrophobicContact CB-CB 4.01Å; A73-V111 HydrophobicContact CB-CG2 3.66Å
74S98.3Very high97.7Very high0 Ų019.4 Ų19.40%09%0.094CC..Hα-helixtrans-66.7-36.6177.178.50000113.1C70 Y71 A72 G77 Y78C70-S74 WeakPolarHBondContact O-CB 3.28Å; C70-S74 PolarHBondContact O-N 2.99Å; C70-S74 PolarHBondContact O-OG 2.79Å; Y71-S74 PolarHBondContact O-N 2.84Å; Y71-S74 PolarHBondContact O-OG 3.37Å; A72-S74 VanDerWaalsContact C-N 3.29Å; A72-S74 PolarHBondContact O-N 3.13Å; S74-G77 WeakPolarHBondContact O-CA 3.46Å; S74-G77 PolarHBondContact O-N 2.94Å; S74-G77 VanDerWaalsContact O-N 3.17Å; S74-Y78 PolarHBondContact O-N 3.14Å; S74-Y78 VanDerWaalsContact O-N 3.08Å
75A98.4Very high97.8Very high0 Ų013 Ų130%07%0.07CC..Hα-helixtrans-67.9-40.1176.900000111.6Y71 A72 G77 Y78 I79 W109 F441 A444Y71-A75 PolarHBondContact O-N 3.38Å; A72-A75 PolarHBondContact O-N 3.2Å; A72-A75 VanDerWaalsContact O-N 3.15Å; A75-G77 PolarHBondContact O-N 3.48Å; A75-Y78 PolarHBondContact O-N 2.71Å; A75-Y78 VanDerWaalsContact O-N 3.14Å; A75-I79 WeakPolarHBondContact O-CD1 3.21Å; A75-I79 VanDerWaalsContact O-CG1 3.22Å; A75-I79 WeakPolarHBondContact O-CG1 3.44Å; A75-I79 PolarHBondContact O-N 2.97Å; A75-W109 HydrophobicContact CB-CZ3 4.47Å; A75-F441 HydrophobicContact CB-CB 4.35Å; A75-F441 HydrophobicContact CB-CD1 3.59Å; A75-F441 HydrophobicContact CB-CE1 4.14Å; A75-F441 HydrophobicContact CB-CG 4.09Å; A75-A444 HydrophobicContact CB-CB 3.85Å
76V98.3Very high97.9Very high2 Ų210.1 Ų10.11%0.0126%0.055CC..Hα-helixtrans-56.4-42.5170172.20000110.8Y37 F39 A72 A73 Y78 I79 T80 A444 V448Y37-V76 HydrophobicContact CD2-CG1 3.71Å; Y37-V76 HydrophobicContact CG-CG1 4.23Å; Y37-V76 HydrophobicContact CG-CG2 4.43Å; F39-V76 HydrophobicContact CE2-CB 4.37Å; F39-V76 HydrophobicContact CE2-CG2 3.47Å; F39-V76 VanDerWaalsContact CE2-CG2 3.47Å; F39-V76 HydrophobicContact CZ-CG2 3.63Å; A72-V76 PolarHBondContact O-N 3.35Å; A72-V76 VanDerWaalsContact O-N 3.1Å; A73-V76 PolarHBondContact O-N 3.37Å; V76-Y78 PolarHBondContact O-N 3.27Å; V76-I79 PolarHBondContact O-N 2.73Å; V76-T80 HydrophobicContact CG1-CG2 4Å; V76-T80 WeakPolarHBondContact O-CB 3.08Å; V76-T80 WeakPolarHBondContact O-CG2 3.3Å; V76-T80 PolarHBondContact O-N 2.94Å; V76-T80 PolarHBondContact O-OG1 2.98Å; V76-A444 HydrophobicContact CG2-CB 3.86Å; V76-V448 HydrophobicContact CG1-CG2 4.44Å; V76-V448 HydrophobicContact CG2-CG2 4.01Å
77G98.1Very high97.9Very high0 Ų09.3 Ų9.30%05%0.051CC..Hα-helixtrans-50.6-51.9172.600000113.6A73 S74 A75 G81 R82 P110A73-G77 PolarHBondContact O-N 2.76Å; A73-G77 VanDerWaalsContact O-N 3.15Å; S74-G77 WeakPolarHBondContact O-CA 3.46Å; S74-G77 PolarHBondContact O-N 2.94Å; S74-G77 VanDerWaalsContact O-N 3.17Å; A75-G77 PolarHBondContact O-N 3.48Å; G77-G81 WeakPolarHBondContact O-CA 3.42Å; G77-G81 PolarHBondContact O-N 3.1Å; G77-R82 WeakPolarHBondContact CA-O 3.43Å; G77-P110 WeakPolarHBondContact CA-O 3.34Å
78Y98.1Very high98Very high2 Ų26.3 Ų6.31%0.0084%0.037CC..Hα-helixtrans-67.1-41.5179.6177.8-111.4000113.8S74 A75 V76 W109 K228 A231 Y232 M255 R424 L427S74-Y78 PolarHBondContact O-N 3.14Å; S74-Y78 VanDerWaalsContact O-N 3.08Å; A75-Y78 PolarHBondContact O-N 2.71Å; A75-Y78 VanDerWaalsContact O-N 3.14Å; V76-Y78 PolarHBondContact O-N 3.27Å; Y78-W109 HydrophobicContact CD1-CH2 4.45Å; Y78-W109 AromaticContact CD1-CZ2 3.97Å; Y78-W109 HydrophobicContact CD1-CZ2 3.97Å; Y78-W109 AromaticContact CD2-CD1 3.61Å; Y78-W109 HydrophobicContact CD2-CD2 4.37Å; Y78-W109 AromaticContact CD2-CE2 3.61Å; Y78-W109 HydrophobicContact CD2-CG 4.38Å; Y78-W109 HydrophobicContact CD2-CZ2 4.09Å; Y78-W109 AromaticContact CD2-NE1 3.07Å; Y78-W109 HydrophobicContact CE1-CZ2 4.39Å; Y78-W109 HydrophobicContact CE2-CZ2 4.5Å; Y78-W109 AromaticContact CE2-NE1 3.7Å; Y78-W109 HydrophobicContact CG-CD2 4.1Å; Y78-W109 AromaticContact CG-CE2 3.54Å; Y78-W109 HydrophobicContact CG-CG 4.43Å; Y78-W109 HydrophobicContact CG-CH2 4.49Å; Y78-W109 AromaticContact CG-CZ2 3.79Å; Y78-W109 HydrophobicContact CG-CZ2 3.79Å; Y78-W109 AromaticContact CG-NE1 3.52Å; Y78-K228 HydrophobicContact CE2-CB 4.28Å; Y78-A231 WeakPolarHBondContact OH-CB 3.44Å; Y78-Y232 AromaticContact CD2-CD2 3.74Å; Y78-Y232 HydrophobicContact CD2-CD2 3.74Å; Y78-Y232 HydrophobicContact CD2-CG 4.49Å; Y78-Y232 HydrophobicContact CE2-CD2 4.36Å; Y78-M255 HydrophobicContact CD1-CE 4.37Å; Y78-M255 HydrophobicContact CE1-CE 3.82Å; Y78-M255 PolarHBondContact OH-O 3.38Å; Y78-R424 HydrophobicContact CE1-CB 4.15Å; Y78-R424 HydrophobicContact CE1-CG 4.22Å; Y78-L427 HydrophobicContact CD1-CD2 3.66Å; Y78-L427 HydrophobicContact CE1-CD2 3.84Å
79I97.4Very high97.9Very high10 Ų106.8 Ų6.85%0.0514%0.039CC..Hα-helixtrans-71.4-44-176-65.3162.6000110.9A75 V76 L427 A445 V448A75-I79 WeakPolarHBondContact O-CD1 3.21Å; A75-I79 VanDerWaalsContact O-CG1 3.22Å; A75-I79 WeakPolarHBondContact O-CG1 3.44Å; A75-I79 PolarHBondContact O-N 2.97Å; V76-I79 PolarHBondContact O-N 2.73Å; I79-L427 HydrophobicContact CD1-CD1 4.15Å; I79-A445 HydrophobicContact CD1-CB 4.23Å; I79-V448 HydrophobicContact CG2-CG1 4.09Å
80T96Very high97.7Very high37 Ų376.9 Ų6.923%0.2274%0.04CC..Hα-helixtrans-96.6-22.2-170.270.30000113.2V76 R82 R234 V448V76-T80 HydrophobicContact CG1-CG2 4Å; V76-T80 WeakPolarHBondContact O-CB 3.08Å; V76-T80 WeakPolarHBondContact O-CG2 3.3Å; V76-T80 PolarHBondContact O-N 2.94Å; V76-T80 PolarHBondContact O-OG1 2.98Å; T80-R82 PolarHBondContact O-N 2.78Å; T80-R82 PolarHBondContact OG1-N 3.46Å; T80-R82 PolarHBondContact OG1-O 2.66Å; T80-R234 PolarHBondContact O-NH2 3.28Å; T80-V448 HydrophobicContact CG2-CG1 4.38Å; T80-V448 HydrophobicContact CG2-CG2 4.15Å
81G94.9Very high97.5Very high22 Ų227 Ų723%0.2274%0.041CC..SBendtrans744.4-172.400000114.1G77G77-G81 WeakPolarHBondContact O-CA 3.42Å; G77-G81 PolarHBondContact O-N 3.1Å
82R96.3Very high97.4Very high48 Ų489.5 Ų9.518%0.1816%0.058CC..SBendtrans-118.1143168.1-75.2-66.9-175.4167-1.4108.6G77 T80 G84 I165 C196G77-R82 WeakPolarHBondContact CA-O 3.43Å; T80-R82 PolarHBondContact O-N 2.78Å; T80-R82 PolarHBondContact OG1-N 3.46Å; T80-R82 PolarHBondContact OG1-O 2.66Å; R82-G84 PolarHBondContact O-N 2.95Å; R82-I165 VanDerWaalsContact NH1-CD1 3.33Å; R82-C196 PolarHBondContact NH1-O 3.1Å; R82-C196 PolarHBondContact NH1-SG 3.29Å; R82-C196 PolarHBondContact NH2-O 3.34Å
83P98.3Very high97.3Very high3 Ų39.6 Ų9.62%0.0196%0.059CC..PPolyproline II helixtrans-64.5135.3-173.526.2-32.4000110.9P110 L112 V161 I165P83-P110 HydrophobicContact CB-CB 4.13Å; P83-L112 HydrophobicContact CB-CB 4.43Å; P83-V161 HydrophobicContact CG-CB 4.49Å; P83-V161 HydrophobicContact CG-CG1 3.9Å; P83-V161 HydrophobicContact CG-CG2 4.26Å; P83-I165 HydrophobicContact CG-CG2 4.49Å
84G98.4Very high97.2Very high0 Ų09.6 Ų9.60%06%0.059CC..EExtended strand (participates in β ladder)trans-72.5149.6156.800000109.9A73 R82 L112A73-G84 WeakPolarHBondContact O-CA 3.45Å; R82-G84 PolarHBondContact O-N 2.95Å; G84-L112 PolarHBondContact O-N 2.79Å
85A98.7Very high97.1Very high0 Ų013.2 Ų13.20%08%0.077CC..EExtended strand (participates in β ladder)trans-92.3139.1172.200000111V35 Y37 M38 F39 A73 L112V35-A85 HydrophobicContact CG1-CB 3.87Å; Y37-A85 PolarHBondContact O-N 2.94Å; M38-A85 CarbonylContact C-O 3.48Å; M38-A85 WeakPolarHBondContact CA-O 3.42Å; M38-A85 HydrophobicContact CB-CB 4.11Å; M38-A85 HydrophobicContact CE-CB 4.07Å; M38-A85 HydrophobicContact CG-CB 4Å; F39-A85 PolarHBondContact N-O 3.47Å; A73-A85 WeakPolarHBondContact CB-O 3.29Å; A85-L112 CarbonylContact C-O 3.54Å; A85-L112 VanDerWaalsContact CA-O 3.27Å; A85-L112 WeakPolarHBondContact CA-O 3.34Å
86C98.8Very high97.1Very high0 Ų017.6 Ų17.60%010%0.098CC..EExtended strand (participates in β ladder)trans-110.7120.9165.9-174.90000108.2F39 C70 A73 V111 L112 V113 I114F39-C86 CarbonylContact O-C 3.51Å; F39-C86 WeakPolarHBondContact O-CA 3.25Å; C70-C86 HydrophobicContact CB-CB 4.38Å; A73-C86 HydrophobicContact CB-CB 4.01Å; C86-V111 HydrophobicContact CB-CG2 4.49Å; C86-L112 PolarHBondContact N-O 3.31Å; C86-V113 HydrophobicContact CB-CB 4.46Å; C86-V113 HydrophobicContact CB-CG1 4.37Å; C86-V113 HydrophobicContact CB-CG2 4.05Å; C86-V113 CarbonylContact O-C 3.56Å; C86-V113 WeakPolarHBondContact O-CA 3.46Å; C86-I114 PolarHBondContact O-N 3.38Å
87L98.6Very high97Very high0 Ų017.5 Ų17.50%010%0.097CC..EExtended strand (participates in β ladder)trans-106.2124.4178.3-170.269.6000109.9M38 F39 G40 I41 V42 I46 V49 A50 Y60 I114M38-L87 HydrophobicContact CG-CB 4Å; M38-L87 HydrophobicContact SD-CB 3.85Å; M38-L87 HydrophobicContact SD-CD2 3.79Å; M38-L87 HydrophobicContact SD-CG 4.29Å; F39-L87 PolarHBondContact O-N 2.89Å; G40-L87 WeakPolarHBondContact CA-O 3.46Å; I41-L87 PolarHBondContact N-O 3.28Å; I41-L87 VanDerWaalsContact N-O 3.13Å; V42-L87 HydrophobicContact CG1-CD2 4.5Å; I46-L87 HydrophobicContact CG1-CD1 3.68Å; I46-L87 HydrophobicContact CG1-CG 4.26Å; I46-L87 HydrophobicContact CG2-CD1 4.11Å; I46-L87 HydrophobicContact CG2-CD2 3.84Å; I46-L87 HydrophobicContact CG2-CG 3.71Å; V49-L87 HydrophobicContact CB-CD1 4.42Å; V49-L87 HydrophobicContact CG1-CD1 3.97Å; V49-L87 HydrophobicContact CG1-CD2 4.49Å; A50-L87 HydrophobicContact CB-CD2 3.66Å; Y60-L87 HydrophobicContact CE2-CB 4.43Å; Y60-L87 HydrophobicContact CE2-CD2 4.12Å; L87-I114 WeakPolarHBondContact CA-O 3.43Å; L87-I114 HydrophobicContact CD1-CB 3.94Å; L87-I114 HydrophobicContact CD1-CG2 3.96Å
88V97.9Very high97Very high0 Ų018.6 Ų18.60%010%0.103CC..EExtended strand (participates in β ladder)trans-132.8155.2-176.9-59.20000112E66 L94 A97 V113 I114 G115 G116E66-V88 HydrophobicContact CB-CG1 3.86Å; E66-V88 HydrophobicContact CG-CB 4.28Å; E66-V88 HydrophobicContact CG-CG1 3.81Å; V88-L94 HydrophobicContact CG2-CB 4.26Å; V88-L94 HydrophobicContact CG2-CD1 4.12Å; V88-A97 HydrophobicContact CG1-CB 3.89Å; V88-V113 HydrophobicContact CG2-CG1 4.16Å; V88-I114 PolarHBondContact N-O 3.42Å; V88-G115 WeakPolarHBondContact O-CA 3.23Å; V88-G116 PolarHBondContact O-N 3.34Å; V88-G116 VanDerWaalsContact O-N 3.09Å
89V95.9Very high96.9Very high14 Ų1419.6 Ų19.69%0.08511%0.114CC..  trans-78.4173.4171.8-59.90000111.5G43 L94G43-V89 VanDerWaalsContact CA-CG1 3.5Å; G43-V89 VanDerWaalsContact N-CG1 3.33Å; V89-L94 PolarHBondContact O-N 3.19Å
90S95.2Very high96.9Very high3 Ų319.1 Ų19.12%0.02111%0.111CC..THydrogen-bonded Turntrans-61.3155.4176.337.60000113.8P92 G93 G116 Q129S90-P92 WeakPolarHBondContact O-CD 3.49Å; S90-G93 PolarHBondContact O-N 3.37Å; S90-G116 WeakPolarHBondContact CA-O 3.4Å; S90-G116 VanDerWaalsContact CB-O 3.28Å; S90-G116 WeakPolarHBondContact CB-O 3.48Å; S90-G116 PolarHBondContact N-O 2.93Å; S90-Q129 PolarHBondContact O-OE1 2.86Å; S90-Q129 WeakPolarHBondContact OG-CB 3.16Å; S90-Q129 PolarHBondContact OG-OE1 3.41Å
91G95.1Very high97Very high2 Ų217.3 Ų17.32%0.02110%0.1CC..THydrogen-bonded Turntrans56.3-106.1167.900000112.9G93 L94 I95 Q129G91-G93 VanDerWaalsContact C-N 3.26Å; G91-G93 PolarHBondContact O-N 2.99Å; G91-L94 PolarHBondContact O-N 3.06Å; G91-I95 WeakPolarHBondContact O-CG1 3.25Å; G91-I95 PolarHBondContact O-N 3.17Å; G91-Q129 WeakPolarHBondContact CA-O 3.22Å; G91-Q129 PolarHBondContact N-O 3.37Å
92P95.8Very high97.1Very high57 Ų5717 Ų1737%0.3710%0.095SC..Hα-helixtrans-54.3-37.4-178.621.8-35000114.2S90 L94 I95 H96 Q129S90-P92 WeakPolarHBondContact O-CD 3.49Å; P92-L94 PolarHBondContact O-N 2.9Å; P92-I95 PolarHBondContact O-N 2.91Å; P92-H96 PolarHBondContact O-N 3.35Å; P92-Q129 HydrophobicContact CG-CG 4.16Å
93G96.4Very high97.2Very high1 Ų114.7 Ų14.71%0.019%0.086CC..Hα-helixtrans-62.8-44.3-179.600000112.4E66 S90 G91 H96 A97E66-G93 WeakPolarHBondContact CB-O 3.43Å; E66-G93 WeakPolarHBondContact CG-O 3.08Å; E66-G93 WeakPolarHBondContact OE1-CA 3.25Å; S90-G93 PolarHBondContact O-N 3.37Å; G91-G93 VanDerWaalsContact C-N 3.26Å; G91-G93 PolarHBondContact O-N 2.99Å; G93-H96 PolarHBondContact O-N 3.33Å; G93-A97 PolarHBondContact O-N 3.23Å
94L96.5Very high97.1Very high0 Ų014.5 Ų14.50%09%0.086CC..Hα-helixtrans-63.7-43.5172.8-18064.7000112.3V88 V89 G91 P92 H96 A97 L98 M101 V113 Q133 Y173V88-L94 HydrophobicContact CG2-CB 4.26Å; V88-L94 HydrophobicContact CG2-CD1 4.12Å; V89-L94 PolarHBondContact O-N 3.19Å; G91-L94 PolarHBondContact O-N 3.06Å; P92-L94 PolarHBondContact O-N 2.9Å; L94-H96 VanDerWaalsContact C-N 3.27Å; L94-H96 PolarHBondContact O-N 3.35Å; L94-A97 WeakPolarHBondContact O-CA 3.43Å; L94-A97 WeakPolarHBondContact O-CB 3.44Å; L94-A97 PolarHBondContact O-N 3.38Å; L94-L98 PolarHBondContact O-N 3.35Å; L94-L98 VanDerWaalsContact O-N 3.11Å; L94-M101 HydrophobicContact CD1-SD 4.47Å; L94-V113 HydrophobicContact CD1-CG1 4.3Å; L94-Q133 HydrophobicContact CD2-CB 3.36Å; L94-Q133 HydrophobicContact CD2-CG 3.49Å; L94-Q133 VanDerWaalsContact CD2-CG 3.49Å; L94-Y173 HydrophobicContact CD1-CD2 3.89Å; L94-Y173 HydrophobicContact CD1-CE2 3.47Å; L94-Y173 VanDerWaalsContact CD1-CE2 3.47Å; L94-Y173 HydrophobicContact CD2-CE1 4.02Å; L94-Y173 HydrophobicContact CD2-CE2 4.17Å; L94-Y173 HydrophobicContact CG-CE2 4.44Å
95I96.9Very high97Very high76 Ų7615.9 Ų15.939%0.399%0.093SC..Hα-helixtrans-57.4-42.7179.9-68.2168.9000110.6G91 P92 A97 L98 F131G91-I95 WeakPolarHBondContact O-CG1 3.25Å; G91-I95 PolarHBondContact O-N 3.17Å; P92-I95 PolarHBondContact O-N 2.91Å; I95-A97 VanDerWaalsContact C-N 3.31Å; I95-A97 PolarHBondContact O-N 2.97Å; I95-L98 WeakPolarHBondContact O-CB 3.41Å; I95-L98 PolarHBondContact O-N 2.99Å; I95-F131 HydrophobicContact CD1-CD1 4.42Å; I95-F131 HydrophobicContact CD1-CD2 4.05Å; I95-F131 HydrophobicContact CD1-CE1 4.22Å; I95-F131 HydrophobicContact CD1-CE2 3.87Å; I95-F131 HydrophobicContact CD1-CG 4.37Å; I95-F131 HydrophobicContact CD1-CZ 3.96Å; I95-F131 HydrophobicContact CG1-CD1 4.29Å; I95-F131 HydrophobicContact CG1-CE1 3.88Å; I95-F131 HydrophobicContact CG1-CE2 4.38Å; I95-F131 HydrophobicContact CG1-CZ 3.96Å
96H96.8Very high96.9Very high92 Ų9219.9 Ų19.943%0.42611%0.113SC..Hα-helixtrans-61.5-37.4174.2-69165.6000112.7E66 Q67 P92 G93 L94 L98E66-H96 HydrophobicContact CB-CB 3.92Å; E66-H96 IonicContact OE2-CG 2.91Å; E66-H96 IonicContact OE2-ND1 3.48Å; E66-H96 PolarHBondContact OE2-ND1 2.9Å; Q67-H96 VanDerWaalsContact CB-O 3.31Å; Q67-H96 WeakPolarHBondContact CB-O 3.48Å; P92-H96 PolarHBondContact O-N 3.35Å; G93-H96 PolarHBondContact O-N 3.33Å; L94-H96 VanDerWaalsContact C-N 3.27Å; L94-H96 PolarHBondContact O-N 3.35Å; H96-L98 VanDerWaalsContact C-N 3.33Å; H96-L98 PolarHBondContact O-N 3.01Å
97A97.6Very high96.8Very high0 Ų020 Ų200%011%0.113CC..Hα-helixtrans-73.1-18.1178.500000114.5E66 C70 V88 G93 L94 I95 G99 G100 M101E66-A97 HydrophobicContact CB-CB 4.23Å; C70-A97 HydrophobicContact CB-CB 4.32Å; V88-A97 HydrophobicContact CG1-CB 3.89Å; G93-A97 PolarHBondContact O-N 3.23Å; L94-A97 WeakPolarHBondContact O-CA 3.43Å; L94-A97 WeakPolarHBondContact O-CB 3.44Å; L94-A97 PolarHBondContact O-N 3.38Å; I95-A97 VanDerWaalsContact C-N 3.31Å; I95-A97 PolarHBondContact O-N 2.97Å; A97-G99 PolarHBondContact O-N 3.46Å; A97-G100 WeakPolarHBondContact O-CA 3.32Å; A97-G100 PolarHBondContact O-N 3.12Å; A97-M101 PolarHBondContact O-N 3.11Å
98L97.3Very high96.7Very high23 Ų2321 Ų2112%0.1212%0.12CC..Hα-helixtrans-57.1-36.9-179.3-66.1-179.4000112.6L94 I95 H96 G100 M101 A102 Y140L94-L98 PolarHBondContact O-N 3.35Å; L94-L98 VanDerWaalsContact O-N 3.11Å; I95-L98 WeakPolarHBondContact O-CB 3.41Å; I95-L98 PolarHBondContact O-N 2.99Å; H96-L98 VanDerWaalsContact C-N 3.33Å; H96-L98 PolarHBondContact O-N 3.01Å; L98-G100 VanDerWaalsContact C-N 3.29Å; L98-G100 PolarHBondContact O-N 3.16Å; L98-M101 HydrophobicContact CD2-SD 3.98Å; L98-M101 PolarHBondContact O-N 2.9Å; L98-A102 WeakPolarHBondContact O-CB 3.39Å; L98-A102 PolarHBondContact O-N 3.16Å; L98-Y140 HydrophobicContact CD1-CD2 4.4Å; L98-Y140 HydrophobicContact CD1-CE2 4.13Å; L98-Y140 HydrophobicContact CD2-CD2 3.8Å; L98-Y140 HydrophobicContact CD2-CE2 4.36Å; L98-Y140 HydrophobicContact CD2-CG 4.3Å; L98-Y140 HydrophobicContact CG-CD2 4.47Å
99G96.1Very high96.7Very high23 Ų2321.2 Ų21.224%0.23712%0.121CC..Hα-helixtrans-61-38.6174.800000112.7A97 N103A97-G99 PolarHBondContact O-N 3.46Å; G99-N103 WeakPolarHBondContact O-CB 3.36Å; G99-N103 PolarHBondContact O-N 3.41Å
100G97.2Very high96.8Very high0 Ų020.5 Ų20.50%012%0.117CC..Hα-helixtrans-68.7-39.6173.500000113.6Y71 A97 L98 N103 A104Y71-G100 VanDerWaalsContact CE1-CA 3.47Å; A97-G100 WeakPolarHBondContact O-CA 3.32Å; A97-G100 PolarHBondContact O-N 3.12Å; L98-G100 VanDerWaalsContact C-N 3.29Å; L98-G100 PolarHBondContact O-N 3.16Å; G100-N103 PolarHBondContact O-N 3.32Å; G100-A104 WeakPolarHBondContact O-CB 3.46Å; G100-A104 PolarHBondContact O-N 3.11Å
101M98.3Very high97Very high0 Ų020.4 Ų20.40%012%0.116CC..Hα-helixtrans-63.8-44.2175.8-66.9175.567.100111.7C70 L94 A97 L98 N103 A104 N105 V113 C137 A171C70-M101 PolarHBondContact SG-N 3.42Å; L94-M101 HydrophobicContact CD1-SD 4.47Å; A97-M101 PolarHBondContact O-N 3.11Å; L98-M101 HydrophobicContact CD2-SD 3.98Å; L98-M101 PolarHBondContact O-N 2.9Å; M101-N103 VanDerWaalsContact C-N 3.35Å; M101-N103 PolarHBondContact O-N 3.23Å; M101-A104 PolarHBondContact O-N 3.2Å; M101-N105 PolarHBondContact O-N 3.2Å; M101-V113 HydrophobicContact CE-CG2 4.48Å; M101-V113 HydrophobicContact CG-CG2 3.61Å; M101-V113 HydrophobicContact SD-CB 4.24Å; M101-V113 HydrophobicContact SD-CG1 4.29Å; M101-V113 HydrophobicContact SD-CG2 3.94Å; M101-C137 HydrophobicContact CE-CB 4.24Å; M101-A171 HydrophobicContact CB-CB 4.14Å; M101-A171 HydrophobicContact CG-CB 4.42Å
102A97.4Very high97.1Very high14 Ų1420.3 Ų20.312%0.11612%0.115CC..Hα-helixtrans-58.6-47.3174.200000111.2L98 A104 N105 M106 Y140 F432L98-A102 WeakPolarHBondContact O-CB 3.39Å; L98-A102 PolarHBondContact O-N 3.16Å; A102-A104 PolarHBondContact O-N 3.45Å; A102-N105 PolarHBondContact O-N 3.3Å; A102-M106 WeakPolarHBondContact O-CB 3.49Å; A102-M106 WeakPolarHBondContact O-CG 3.48Å; A102-M106 PolarHBondContact O-N 3.38Å; A102-Y140 HydrophobicContact CB-CD1 3.87Å; A102-Y140 HydrophobicContact CB-CE1 4.28Å; A102-F432 HydrophobicContact CB-CE1 4Å; A102-F432 HydrophobicContact CB-CZ 4.32Å
103N97.5Very high97.3Very high0 Ų017.6 Ų17.60%010%0.097CC..Hα-helixtrans-57.7-47.9176.3-179.9-77.9000111.6Y71 G99 G100 M101 N105 M106 N107 F432 T434Y71-N103 HydrophobicContact CD1-CB 4.08Å; Y71-N103 HydrophobicContact CE1-CB 3.67Å; G99-N103 WeakPolarHBondContact O-CB 3.36Å; G99-N103 PolarHBondContact O-N 3.41Å; G100-N103 PolarHBondContact O-N 3.32Å; M101-N103 VanDerWaalsContact C-N 3.35Å; M101-N103 PolarHBondContact O-N 3.23Å; N103-N105 PolarHBondContact O-N 3.07Å; N103-M106 PolarHBondContact O-N 3.38Å; N103-N107 PolarHBondContact ND2-ND2 3.45Å; N103-N107 VanDerWaalsContact O-CB 3.23Å; N103-N107 WeakPolarHBondContact O-CB 3.41Å; N103-N107 PolarHBondContact O-N 2.93Å; N103-N107 PolarHBondContact O-ND2 3.38Å; N103-N107 VanDerWaalsContact O-ND2 3.12Å; N103-N107 PolarHBondContact OD1-ND2 2.96Å; N103-F432 HydrophobicContact CB-CD1 4.25Å; N103-T434 WeakPolarHBondContact ND2-CB 3.47Å; N103-T434 PolarHBondContact ND2-OG1 3.03Å
104A97.6Very high97.4Very high0 Ų017.5 Ų17.50%010%0.097CC..Hα-helixtrans-60.9-44-179.900000112.2G100 M101 A102 N107 C108 W109 V111 A171G100-A104 WeakPolarHBondContact O-CB 3.46Å; G100-A104 PolarHBondContact O-N 3.11Å; M101-A104 PolarHBondContact O-N 3.2Å; A102-A104 PolarHBondContact O-N 3.45Å; A104-N107 CarbonylContact O-C 3.55Å; A104-N107 PolarHBondContact O-N 2.75Å; A104-C108 WeakPolarHBondContact O-CA 3.39Å; A104-C108 PolarHBondContact O-N 3.15Å; A104-W109 PolarHBondContact O-N 3.35Å; A104-V111 HydrophobicContact CB-CB 4.42Å; A104-V111 HydrophobicContact CB-CG1 3.47Å; A104-V111 VanDerWaalsContact CB-CG1 3.47Å; A104-A171 HydrophobicContact CB-CB 4.33Å
105N96.4Very high97.4Very high29 Ų2917.5 Ų17.516%0.15510%0.097CC..Hα-helixtrans-63.6-48176.1-77.9-17.8000112.7M101 A102 N103 N107 C108 Y140 S141 G170 A171M101-N105 PolarHBondContact O-N 3.2Å; A102-N105 PolarHBondContact O-N 3.3Å; N103-N105 PolarHBondContact O-N 3.07Å; N105-N107 PolarHBondContact O-N 3.49Å; N105-C108 PolarHBondContact O-N 3.37Å; N105-Y140 PolarHBondContact ND2-O 3.43Å; N105-S141 PolarHBondContact ND2-N 3.11Å; N105-G170 WeakPolarHBondContact OD1-CA 3.4Å; N105-A171 WeakPolarHBondContact OD1-CB 3.24Å; N105-A171 PolarHBondContact OD1-N 2.78Å
106M95.6Very high97.3Very high84 Ų8413.9 Ų13.941%0.4148%0.078SC..Hα-helixtrans-63-32179-70.9-58.9106.500111.4A102 N103 R291 F432A102-M106 WeakPolarHBondContact O-CB 3.49Å; A102-M106 WeakPolarHBondContact O-CG 3.48Å; A102-M106 PolarHBondContact O-N 3.38Å; N103-M106 PolarHBondContact O-N 3.38Å; M106-R291 PolarHBondContact O-NH1 2.83Å; M106-R291 PolarHBondContact O-NH2 2.68Å; M106-F432 HydrophobicContact CB-CB 3.79Å; M106-F432 HydrophobicContact CB-CD2 4.01Å; M106-F432 HydrophobicContact CB-CG 3.97Å; M106-F432 HydrophobicContact CG-CB 4.32Å; M106-F432 HydrophobicContact CG-CD2 3.56Å; M106-F432 HydrophobicContact CG-CE2 3.97Å; M106-F432 HydrophobicContact CG-CG 3.94Å
107N96.3Very high97.3Very high3 Ų39.7 Ų9.72%0.0166%0.059CC..Hα-helixtrans-84.9-8174.7-77.4-50.1000114.7N103 A104 N105 W109 K228 G430 T431N103-N107 PolarHBondContact ND2-ND2 3.45Å; N103-N107 VanDerWaalsContact O-CB 3.23Å; N103-N107 WeakPolarHBondContact O-CB 3.41Å; N103-N107 PolarHBondContact O-N 2.93Å; N103-N107 PolarHBondContact O-ND2 3.38Å; N103-N107 VanDerWaalsContact O-ND2 3.12Å; N103-N107 PolarHBondContact OD1-ND2 2.96Å; A104-N107 CarbonylContact O-C 3.55Å; A104-N107 PolarHBondContact O-N 2.75Å; N105-N107 PolarHBondContact O-N 3.49Å; N107-W109 HydrophobicContact CB-CD2 3.84Å; N107-W109 HydrophobicContact CB-CE3 4.37Å; N107-W109 HydrophobicContact CB-CG 4.02Å; N107-W109 HydrophobicContact CB-CZ2 4.37Å; N107-W109 PolarHBondContact O-NE1 3.36Å; N107-K228 VanDerWaalsContact O-CE 3.26Å; N107-K228 WeakPolarHBondContact O-CE 3.32Å; N107-K228 PolarHBondContact O-NZ 3.44Å; N107-K228 PolarHBondContact OD1-NZ 3.3Å; N107-G430 WeakPolarHBondContact OD1-CA 3.34Å; N107-T431 PolarHBondContact OD1-N 2.97Å
108C97.1Very high97.2Very high21 Ų2110.3 Ų10.314%0.1426%0.063CC..THydrogen-bonded Turntrans57.448-175.1-49.70000112.8A104 N105 R168 P169A104-C108 WeakPolarHBondContact O-CA 3.39Å; A104-C108 PolarHBondContact O-N 3.15Å; N105-C108 PolarHBondContact O-N 3.37Å; C108-R168 HydrophobicContact CB-CG 3.99Å; C108-P169 CarbonylContact C-O 3.53Å; C108-P169 VanDerWaalsContact C-O 3.32Å; C108-P169 WeakPolarHBondContact CA-O 3.49Å; C108-P169 WeakPolarHBondContact O-CB 3.49Å
109W97.7Very high97.1Very high3 Ų311.6 Ų11.61%0.0117%0.07CC..  trans-112.2136.3-178.1-64.9-9000111.3A75 Y78 A104 N107 V111 G170 M255 L427 F441A75-W109 HydrophobicContact CB-CZ3 4.47Å; Y78-W109 HydrophobicContact CD1-CH2 4.45Å; Y78-W109 AromaticContact CD1-CZ2 3.97Å; Y78-W109 HydrophobicContact CD1-CZ2 3.97Å; Y78-W109 AromaticContact CD2-CD1 3.61Å; Y78-W109 HydrophobicContact CD2-CD2 4.37Å; Y78-W109 AromaticContact CD2-CE2 3.61Å; Y78-W109 HydrophobicContact CD2-CG 4.38Å; Y78-W109 HydrophobicContact CD2-CZ2 4.09Å; Y78-W109 AromaticContact CD2-NE1 3.07Å; Y78-W109 HydrophobicContact CE1-CZ2 4.39Å; Y78-W109 HydrophobicContact CE2-CZ2 4.5Å; Y78-W109 AromaticContact CE2-NE1 3.7Å; Y78-W109 HydrophobicContact CG-CD2 4.1Å; Y78-W109 AromaticContact CG-CE2 3.54Å; Y78-W109 HydrophobicContact CG-CG 4.43Å; Y78-W109 HydrophobicContact CG-CH2 4.49Å; Y78-W109 AromaticContact CG-CZ2 3.79Å; Y78-W109 HydrophobicContact CG-CZ2 3.79Å; Y78-W109 AromaticContact CG-NE1 3.52Å; A104-W109 PolarHBondContact O-N 3.35Å; N107-W109 HydrophobicContact CB-CD2 3.84Å; N107-W109 HydrophobicContact CB-CE3 4.37Å; N107-W109 HydrophobicContact CB-CG 4.02Å; N107-W109 HydrophobicContact CB-CZ2 4.37Å; N107-W109 PolarHBondContact O-NE1 3.36Å; W109-V111 PolarHBondContact O-N 3.22Å; W109-G170 CarbonylContact O-C 3.54Å; W109-G170 VanDerWaalsContact O-C 3.3Å; W109-G170 VanDerWaalsContact O-CA 3.25Å; W109-G170 WeakPolarHBondContact O-CA 3.37Å; W109-M255 HydrophobicContact CH2-CE 3.66Å; W109-M255 HydrophobicContact CH2-SD 4.15Å; W109-M255 HydrophobicContact CZ2-CE 3.32Å; W109-M255 HydrophobicContact CZ2-SD 3.7Å; W109-L427 HydrophobicContact CH2-CD2 4.48Å; W109-F441 HydrophobicContact CE3-CZ 4.45Å; W109-F441 AromaticContact CH2-CE2 3.98Å; W109-F441 HydrophobicContact CH2-CE2 3.98Å; W109-F441 AromaticContact CH2-CZ 3.97Å; W109-F441 HydrophobicContact CH2-CZ 3.97Å; W109-F441 AromaticContact CZ3-CE1 3.83Å; W109-F441 HydrophobicContact CZ3-CE1 3.83Å; W109-F441 AromaticContact CZ3-CE2 3.9Å; W109-F441 HydrophobicContact CZ3-CE2 3.9Å; W109-F441 AromaticContact CZ3-CZ 3.43Å; W109-F441 HydrophobicContact CZ3-CZ 3.43Å; W109-F441 VanDerWaalsContact CZ3-CZ 3.43Å
110P98.1Very high97Very high0 Ų016 Ų160%08%0.08CC..  trans-74.9124.8-17933.6-36.6000110.4G77 P83 S164 I165 P169 Y232G77-P110 WeakPolarHBondContact CA-O 3.34Å; P83-P110 HydrophobicContact CB-CB 4.13Å; P110-S164 WeakPolarHBondContact CB-O 3.47Å; P110-I165 HydrophobicContact CB-CG2 3.65Å; P110-I165 HydrophobicContact CG-CG2 4.16Å; P110-P169 HydrophobicContact CB-CB 4.22Å; P110-P169 HydrophobicContact CG-CB 4.44Å; P110-Y232 WeakPolarHBondContact CD-OH 3.47Å; P110-Y232 HydrophobicContact CG-CE2 4.27Å; P110-Y232 VanDerWaalsContact CG-OH 3.29Å; P110-Y232 WeakPolarHBondContact CG-OH 3.49Å
111V98.7Very high96.9Very high0 Ų022.5 Ų22.50%011%0.114CC..EExtended strand (participates in β ladder)trans-141.7138.7172.162.80000109.4A73 C86 A104 W109 V113 G170 A171 V172A73-V111 HydrophobicContact CB-CG2 3.66Å; C86-V111 HydrophobicContact CB-CG2 4.49Å; A104-V111 HydrophobicContact CB-CB 4.42Å; A104-V111 HydrophobicContact CB-CG1 3.47Å; A104-V111 VanDerWaalsContact CB-CG1 3.47Å; W109-V111 PolarHBondContact O-N 3.22Å; V111-V113 HydrophobicContact CG2-CG2 4.35Å; V111-G170 PolarHBondContact N-O 3.26Å; V111-A171 HydrophobicContact CG1-CB 3.47Å; V111-A171 VanDerWaalsContact CG1-CB 3.47Å; V111-A171 WeakPolarHBondContact O-CA 3.28Å; V111-V172 WeakPolarHBondContact O-CG2 3.41Å; V111-V172 PolarHBondContact O-N 2.78Å
112L98.6Very high96.7Very high0 Ų026.2 Ų26.20%013%0.132CC..EExtended strand (participates in β ladder)trans-106.7109.1174.617460.4000108.7L30 P83 G84 A85 C86 I114 A160 V161 V172 V174L30-L112 HydrophobicContact CD2-CD2 3.28Å; P83-L112 HydrophobicContact CB-CB 4.43Å; G84-L112 PolarHBondContact O-N 2.79Å; A85-L112 CarbonylContact C-O 3.54Å; A85-L112 VanDerWaalsContact CA-O 3.27Å; A85-L112 WeakPolarHBondContact CA-O 3.34Å; C86-L112 PolarHBondContact N-O 3.31Å; L112-I114 HydrophobicContact CD1-CG1 4.34Å; L112-I114 HydrophobicContact CD2-CD1 4.16Å; L112-I114 HydrophobicContact CD2-CG1 4.42Å; L112-I114 HydrophobicContact CG-CD1 4.22Å; L112-I114 HydrophobicContact CG-CG1 3.96Å; L112-A160 HydrophobicContact CD1-CB 3.75Å; L112-V161 HydrophobicContact CD2-CG2 4.05Å; L112-V172 HydrophobicContact CB-CG2 4.23Å; L112-V172 HydrophobicContact CD1-CG2 3.5Å; L112-V172 HydrophobicContact CG-CG2 4.47Å; L112-V174 HydrophobicContact CD1-CG2 3.87Å
113V98.8Very high96.4Very high0 Ų029.5 Ų29.50%015%0.145CC..EExtended strand (participates in β ladder)trans-94.1128173.9-172.90000108.9C86 V88 L94 M101 V111 V172 Y173 V174C86-V113 HydrophobicContact CB-CB 4.46Å; C86-V113 HydrophobicContact CB-CG1 4.37Å; C86-V113 HydrophobicContact CB-CG2 4.05Å; C86-V113 CarbonylContact O-C 3.56Å; C86-V113 WeakPolarHBondContact O-CA 3.46Å; V88-V113 HydrophobicContact CG2-CG1 4.16Å; L94-V113 HydrophobicContact CD1-CG1 4.3Å; M101-V113 HydrophobicContact CE-CG2 4.48Å; M101-V113 HydrophobicContact CG-CG2 3.61Å; M101-V113 HydrophobicContact SD-CB 4.24Å; M101-V113 HydrophobicContact SD-CG1 4.29Å; M101-V113 HydrophobicContact SD-CG2 3.94Å; V111-V113 HydrophobicContact CG2-CG2 4.35Å; V113-V172 PolarHBondContact N-O 3.09Å; V113-Y173 HydrophobicContact CB-CD2 4.06Å; V113-Y173 HydrophobicContact CG1-CD2 3.95Å; V113-Y173 HydrophobicContact CG1-CE2 4.35Å; V113-Y173 CarbonylContact O-C 3.45Å; V113-Y173 WeakPolarHBondContact O-CA 3.2Å; V113-Y173 WeakPolarHBondContact O-CD2 3.36Å; V113-V174 PolarHBondContact O-N 2.65Å
114I98.6Very high96.1Very high0 Ų034.4 Ų34.40%019%0.185CC..EExtended strand (participates in β ladder)trans-120.7119.3179.2-54.1173.8000106.7I26 L30 C86 L87 V88 L112 V174 I176I26-I114 HydrophobicContact CG2-CD1 4.39Å; L30-I114 HydrophobicContact CD1-CD1 3.67Å; L30-I114 HydrophobicContact CD2-CD1 3.88Å; L30-I114 HydrophobicContact CG-CD1 4.3Å; C86-I114 PolarHBondContact O-N 3.38Å; L87-I114 WeakPolarHBondContact CA-O 3.43Å; L87-I114 HydrophobicContact CD1-CB 3.94Å; L87-I114 HydrophobicContact CD1-CG2 3.96Å; V88-I114 PolarHBondContact N-O 3.42Å; L112-I114 HydrophobicContact CD1-CG1 4.34Å; L112-I114 HydrophobicContact CD2-CD1 4.16Å; L112-I114 HydrophobicContact CD2-CG1 4.42Å; L112-I114 HydrophobicContact CG-CD1 4.22Å; L112-I114 HydrophobicContact CG-CG1 3.96Å; I114-V174 WeakPolarHBondContact CA-O 3.35Å; I114-I176 HydrophobicContact CG2-CG1 3.9Å
115G97Very high96Very high0 Ų038.3 Ų38.30%022%0.217CC..EExtended strand (participates in β ladder)trans-119136.2-178.700000111.6V88 V174 I176V88-G115 WeakPolarHBondContact O-CA 3.23Å; G115-V174 PolarHBondContact N-O 2.97Å; G115-I176 PolarHBondContact O-N 2.8Å
116G95.5Very high95.9Very high0 Ų040 Ų400%024%0.242CC..EExtended strand (participates in β ladder)trans-70.1147.2163.700000111.3V88 S90 Q133 I176V88-G116 PolarHBondContact O-N 3.34Å; V88-G116 VanDerWaalsContact O-N 3.09Å; S90-G116 WeakPolarHBondContact CA-O 3.4Å; S90-G116 VanDerWaalsContact CB-O 3.28Å; S90-G116 WeakPolarHBondContact CB-O 3.48Å; S90-G116 PolarHBondContact N-O 2.93Å; G116-Q133 PolarHBondContact O-NE2 2.85Å; G116-Q133 PolarHBondContact O-OE1 3.49Å; G116-I176 CarbonylContact C-O 3.5Å; G116-I176 VanDerWaalsContact CA-O 3.31Å; G116-I176 WeakPolarHBondContact CA-O 3.49Å
117S96.2Very high95.9Very high3 Ų336.6 Ų36.62%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-125.7168.6169.884.10000111.1Q133 R146 D175 I176 A177 G178S117-Q133 VanDerWaalsContact CA-NE2 3.34Å; S117-R146 PolarHBondContact OG-NH2 3.39Å; S117-R146 VanDerWaalsContact OG-NH2 3.15Å; S117-D175 WeakPolarHBondContact CB-OD1 3.49Å; S117-D175 PolarHBondContact OG-OD2 2.91Å; S117-I176 PolarHBondContact N-O 2.81Å; S117-A177 VanDerWaalsContact OG-CA 3.29Å; S117-A177 WeakPolarHBondContact OG-CA 3.45Å; S117-G178 PolarHBondContact O-N 3.23Å
118S94.9Very high95.8Very high14 Ų1443.7 Ų43.710%0.09826%0.258CS..  trans-54.7157.6168.352.50000111.8
119D95.6Very high95.8Very high50 Ų5045.4 Ų45.427%0.26726%0.264SS..  trans-60.3142.5174.6-64.7-7.5000110.5N121 Q122 G178 D179D119-N121 VanDerWaalsContact CB-OD1 3.3Å; D119-N121 WeakPolarHBondContact CB-OD1 3.46Å; D119-N121 PolarHBondContact O-N 3Å; D119-N121 VanDerWaalsContact O-N 3.13Å; D119-Q122 HydrophobicContact CB-CG 4.33Å; D119-Q122 PolarHBondContact O-N 3.36Å; D119-G178 VanDerWaalsContact OD1-CA 3.27Å; D119-G178 WeakPolarHBondContact OD1-CA 3.35Å; D119-D179 HydrophobicContact CB-CB 4.1Å; D119-D179 PolarHBondContact OD1-N 3.12Å
120R93.8Very high95.7Very high115 Ų11548.3 Ų48.343%0.43428%0.278SS..G310 helixtrans-59.6-28.7-175.4-67.3175.4-65.41673.6113.8Q122 A177 D179R120-Q122 VanDerWaalsContact C-N 3.3Å; R120-A177 HydrophobicContact CG-CB 3.68Å; R120-D179 WeakPolarHBondContact CG-OD1 3.38Å; R120-D179 IonicContact CZ-OD2 2.62Å; R120-D179 PolarHBondContact N-OD1 3Å; R120-D179 IonicContact NE-OD1 2.69Å; R120-D179 PolarHBondContact NE-OD1 3.4Å; R120-D179 IonicContact NE-OD2 2.66Å; R120-D179 PolarHBondContact NE-OD2 3.14Å; R120-D179 IonicContact NH2-OD2 3.72Å; R120-D179 PolarHBondContact NH2-OD2 3.35Å
121N94.9Very high95.5Very high136 Ų13651.5 Ų51.573%0.72729%0.292SS*.G310 helixtrans-80.3-7.4179.267.4-19.2000114D119D119-N121 VanDerWaalsContact CB-OD1 3.3Å; D119-N121 WeakPolarHBondContact CB-OD1 3.46Å; D119-N121 PolarHBondContact O-N 3Å; D119-N121 VanDerWaalsContact O-N 3.13Å
122Q94.2Very high95.3Very high78 Ų7855.1 Ų55.136%0.36432%0.315SS..G310 helixtrans-104.40178-60.1173.910.900112.3D119 R120 A125 A127D119-Q122 HydrophobicContact CB-CG 4.33Å; D119-Q122 PolarHBondContact O-N 3.36Å; R120-Q122 VanDerWaalsContact C-N 3.3Å; Q122-A125 WeakPolarHBondContact O-CB 3.49Å; Q122-A125 PolarHBondContact O-N 3.05Å; Q122-A125 VanDerWaalsContact O-N 3.11Å; Q122-A127 HydrophobicContact CB-CB 3.62Å
123E90.7Very high95.1Very high83 Ų8355.2 Ų55.239%0.38832%0.316SS..THydrogen-bonded Turntrans-62.5141.4-179.7-66.1-174.9172.100112A125 E130 R146E123-A125 PolarHBondContact O-N 3.49Å; E123-E130 VanDerWaalsContact CA-OE1 3.29Å; E123-E130 WeakPolarHBondContact CA-OE1 3.48Å; E123-R146 IonicContact OE1-CZ 3.6Å; E123-R146 IonicContact OE1-NH1 3.17Å; E123-R146 PolarHBondContact OE1-NH1 3.22Å; E123-R146 IonicContact OE1-NH2 3.22Å; E123-R146 PolarHBondContact OE1-NH2 3.37Å; E123-R146 IonicContact OE2-NH1 3.69Å
124A92.7Very high95Very high103 Ų10356.2 Ų56.285%0.85132%0.322SS*.THydrogen-bonded Turntrans61.68.2-170.600000115.5E130A124-E130 WeakPolarHBondContact CA-OE1 3.27Å; A124-E130 PolarHBondContact N-OE1 2.91Å
125A95.3Very high94.8Very high82 Ų8261.4 Ų61.468%0.67835%0.346SS*.THydrogen-bonded Turntrans-96.8-0.4179.600000113.9Q122 E123Q122-A125 WeakPolarHBondContact O-CB 3.49Å; Q122-A125 PolarHBondContact O-N 3.05Å; Q122-A125 VanDerWaalsContact O-N 3.11Å; E123-A125 PolarHBondContact O-N 3.49Å
126G94.5Very high94.7Very high64 Ų6462.6 Ų62.666%0.6636%0.356SS*.THydrogen-bonded Turntrans78.342-171.800000111.7E130G126-E130 WeakPolarHBondContact CA-OE2 3.39Å; G126-E130 PolarHBondContact N-OE2 3.49Å
127A95.8Very high94.8Very high14 Ų1462.6 Ų62.612%0.11636%0.356CS..  trans-61.5160.5-177.100000111.8Q122 Q129 E130Q122-A127 HydrophobicContact CB-CB 3.62Å; A127-Q129 PolarHBondContact O-N 3.14Å; A127-Q129 VanDerWaalsContact O-N 3.12Å; A127-E130 HydrophobicContact CB-CB 4Å; A127-E130 PolarHBondContact N-OE2 3.45Å; A127-E130 VanDerWaalsContact O-CB 3.26Å; A127-E130 WeakPolarHBondContact O-CB 3.48Å; A127-E130 PolarHBondContact O-N 2.91Å
128F94.3Very high94.7Very high151 Ų15170.3 Ų70.366%0.66238%0.384SS*.THydrogen-bonded Turntrans-57.2122.2176.7178.9-102.1000110.3E130F128-E130 PolarHBondContact O-N 3.2Å
129Q95.8Very high94.5Very high58 Ų5876.8 Ų76.827%0.27142%0.417SS..THydrogen-bonded Turntrans55.727.5-176.2-64.5-178-1700114.7S90 G91 P92 A127 F131S90-Q129 PolarHBondContact O-OE1 2.86Å; S90-Q129 WeakPolarHBondContact OG-CB 3.16Å; S90-Q129 PolarHBondContact OG-OE1 3.41Å; G91-Q129 WeakPolarHBondContact CA-O 3.22Å; G91-Q129 PolarHBondContact N-O 3.37Å; P92-Q129 HydrophobicContact CG-CG 4.16Å; A127-Q129 PolarHBondContact O-N 3.14Å; A127-Q129 VanDerWaalsContact O-N 3.12Å; Q129-F131 PolarHBondContact O-N 2.85Å
130E95.1Very high94.4Very high63 Ų6378.6 Ų78.629%0.29442%0.421SS..  trans-59.2130.4174.2-175.4170.1-150.200111.8E123 A124 G126 A127 F128E123-E130 VanDerWaalsContact CA-OE1 3.29Å; E123-E130 WeakPolarHBondContact CA-OE1 3.48Å; A124-E130 WeakPolarHBondContact CA-OE1 3.27Å; A124-E130 PolarHBondContact N-OE1 2.91Å; G126-E130 WeakPolarHBondContact CA-OE2 3.39Å; G126-E130 PolarHBondContact N-OE2 3.49Å; A127-E130 HydrophobicContact CB-CB 4Å; A127-E130 PolarHBondContact N-OE2 3.45Å; A127-E130 VanDerWaalsContact O-CB 3.26Å; A127-E130 WeakPolarHBondContact O-CB 3.48Å; A127-E130 PolarHBondContact O-N 2.91Å; F128-E130 PolarHBondContact O-N 3.2Å
131F95.4Very high94.6Very high67 Ų6773.8 Ų73.829%0.29441%0.405SS..  trans-155.1145.5176.9-173.8-112.4000109.5I95 Q129 Q133 A136I95-F131 HydrophobicContact CD1-CD1 4.42Å; I95-F131 HydrophobicContact CD1-CD2 4.05Å; I95-F131 HydrophobicContact CD1-CE1 4.22Å; I95-F131 HydrophobicContact CD1-CE2 3.87Å; I95-F131 HydrophobicContact CD1-CG 4.37Å; I95-F131 HydrophobicContact CD1-CZ 3.96Å; I95-F131 HydrophobicContact CG1-CD1 4.29Å; I95-F131 HydrophobicContact CG1-CE1 3.88Å; I95-F131 HydrophobicContact CG1-CE2 4.38Å; I95-F131 HydrophobicContact CG1-CZ 3.96Å; Q129-F131 PolarHBondContact O-N 2.85Å; F131-Q133 HydrophobicContact CB-CG 4.17Å; F131-Q133 HydrophobicContact CD1-CG 3.96Å; F131-Q133 WeakPolarHBondContact O-CG 3.2Å; F131-Q133 PolarHBondContact O-N 3.27Å; F131-A136 HydrophobicContact CD1-CB 4.38Å; F131-A136 HydrophobicContact CE1-CB 3.35Å; F131-A136 HydrophobicContact CZ-CB 3.71Å
132P94.4Very high94.7Very high76 Ų7671.5 Ų71.549%0.49439%0.389SS..  trans-74.169.6174.131.9-38.1000111.2V134 E135 A136P132-V134 PolarHBondContact O-N 2.88Å; P132-E135 HydrophobicContact CB-CB 4.3Å; P132-E135 PolarHBondContact O-N 3.42Å; P132-A136 VanDerWaalsContact O-CB 3.29Å; P132-A136 WeakPolarHBondContact O-CB 3.3Å; P132-A136 PolarHBondContact O-N 3.33Å
133Q94Very high94.9Very high2 Ų269.9 Ų69.91%0.00938%0.381CS..Hα-helixtrans-61-43.1-170-64.4-162117.200112.9L94 G116 S117 F131 C137 Y173 D175L94-Q133 HydrophobicContact CD2-CB 3.36Å; L94-Q133 HydrophobicContact CD2-CG 3.49Å; L94-Q133 VanDerWaalsContact CD2-CG 3.49Å; G116-Q133 PolarHBondContact O-NE2 2.85Å; G116-Q133 PolarHBondContact O-OE1 3.49Å; S117-Q133 VanDerWaalsContact CA-NE2 3.34Å; F131-Q133 HydrophobicContact CB-CG 4.17Å; F131-Q133 HydrophobicContact CD1-CG 3.96Å; F131-Q133 WeakPolarHBondContact O-CG 3.2Å; F131-Q133 PolarHBondContact O-N 3.27Å; Q133-C137 WeakPolarHBondContact O-CB 3.42Å; Q133-C137 PolarHBondContact O-N 2.98Å; Q133-C137 VanDerWaalsContact O-N 3.09Å; Q133-C137 PolarHBondContact O-SG 2.86Å; Q133-Y173 HydrophobicContact CB-CE1 3.87Å; Q133-Y173 WeakPolarHBondContact CB-OH 3.22Å; Q133-Y173 PolarHBondContact NE2-OH 2.93Å; Q133-D175 WeakPolarHBondContact CB-OD1 3.47Å; Q133-D175 PolarHBondContact NE2-OD1 3.25Å
134V95.6Very high95.2Very high21 Ų2167.3 Ų67.313%0.12737%0.371CS..Hα-helixtrans-64.3-46.7-179.9166.80000110.5P132 R138 T144 R146 D175P132-V134 PolarHBondContact O-N 2.88Å; V134-R138 WeakPolarHBondContact O-CG 3.23Å; V134-T144 HydrophobicContact CB-CG2 4.22Å; V134-T144 HydrophobicContact CG1-CG2 3.95Å; V134-T144 HydrophobicContact CG2-CG2 4.37Å; V134-T144 WeakPolarHBondContact O-CG2 3.2Å; V134-R146 HydrophobicContact CG2-CB 4.21Å; V134-D175 HydrophobicContact CG2-CB 3.74Å
135E95.6Very high95.5Very high110 Ų11063.3 Ų63.351%0.51434%0.337SS..Hα-helixtrans-65.6-46.1179.4-67.165.8-145.500111.1P132 C137 R138P132-E135 HydrophobicContact CB-CB 4.3Å; P132-E135 PolarHBondContact O-N 3.42Å; E135-C137 VanDerWaalsContact C-N 3.28Å; E135-C137 PolarHBondContact O-N 2.93Å; E135-R138 PolarHBondContact O-N 2.98Å
136A94.8Very high95.5Very high25 Ų2563.2 Ų63.221%0.20732%0.32CS..Hα-helixtrans-62.2-34.7-179.100000112.8F131 P132 R138 Y140F131-A136 HydrophobicContact CD1-CB 4.38Å; F131-A136 HydrophobicContact CE1-CB 3.35Å; F131-A136 HydrophobicContact CZ-CB 3.71Å; P132-A136 VanDerWaalsContact O-CB 3.29Å; P132-A136 WeakPolarHBondContact O-CB 3.3Å; P132-A136 PolarHBondContact O-N 3.33Å; A136-R138 PolarHBondContact O-N 2.85Å; A136-Y140 WeakPolarHBondContact O-CD2 3.5Å
137C96.4Very high95.7Very high0 Ų060.3 Ų60.30%029%0.289CS..Hα-helixtrans-78.7-13.3-178-74.50000115M101 Q133 E135 L139 Y140 S141 T144 Y173M101-C137 HydrophobicContact CE-CB 4.24Å; Q133-C137 WeakPolarHBondContact O-CB 3.42Å; Q133-C137 PolarHBondContact O-N 2.98Å; Q133-C137 VanDerWaalsContact O-N 3.09Å; Q133-C137 PolarHBondContact O-SG 2.86Å; E135-C137 VanDerWaalsContact C-N 3.28Å; E135-C137 PolarHBondContact O-N 2.93Å; C137-L139 PolarHBondContact O-N 2.79Å; C137-Y140 CarbonylContact O-C 3.49Å; C137-Y140 PolarHBondContact O-N 2.9Å; C137-S141 PolarHBondContact O-N 2.91Å; C137-S141 VanDerWaalsContact O-N 3.14Å; C137-S141 PolarHBondContact O-OG 3.03Å; C137-T144 HydrophobicContact CB-CG2 4.05Å; C137-Y173 HydrophobicContact CB-CD1 3.56Å; C137-Y173 HydrophobicContact CB-CE1 4.41Å; C137-Y173 HydrophobicContact CB-CG 3.93Å; C137-Y173 WeakPolarHBondContact SG-CD1 3.47Å
138R94.4Very high95.7Very high164 Ų16464.2 Ų64.262%0.61932%0.316SS*.G310 helixtrans-59.3-33.1-174.8-68.2-171.3179.6-170.42.1113.4V134 E135 A136 Y140V134-R138 WeakPolarHBondContact O-CG 3.23Å; E135-R138 PolarHBondContact O-N 2.98Å; A136-R138 PolarHBondContact O-N 2.85Å; R138-Y140 VanDerWaalsContact C-N 3.34Å
139L91.7Very high95.8Very high151 Ų15158.9 Ų58.979%0.79130%0.297SS*.G310 helixtrans-78.2-21178.6-64.1178000113.1C137C137-L139 PolarHBondContact O-N 2.79Å
140Y93.6Very high95.9Very high87 Ų8756.9 Ų56.934%0.34129%0.288SS..G310 helixtrans-108.911.4-173.9-54.3-76.6000112.5L98 A102 N105 A136 C137 R138L98-Y140 HydrophobicContact CD1-CD2 4.4Å; L98-Y140 HydrophobicContact CD1-CE2 4.13Å; L98-Y140 HydrophobicContact CD2-CD2 3.8Å; L98-Y140 HydrophobicContact CD2-CE2 4.36Å; L98-Y140 HydrophobicContact CD2-CG 4.3Å; L98-Y140 HydrophobicContact CG-CD2 4.47Å; A102-Y140 HydrophobicContact CB-CD1 3.87Å; A102-Y140 HydrophobicContact CB-CE1 4.28Å; N105-Y140 PolarHBondContact ND2-O 3.43Å; A136-Y140 WeakPolarHBondContact O-CD2 3.5Å; C137-Y140 CarbonylContact O-C 3.49Å; C137-Y140 PolarHBondContact O-N 2.9Å; R138-Y140 VanDerWaalsContact C-N 3.34Å
141S96.6Very high96Very high15 Ų1557.2 Ų57.211%0.10529%0.29CS..  trans-149.7154.2-178.963.40000113N105 C137 F143 T144 A171N105-S141 PolarHBondContact ND2-N 3.11Å; C137-S141 PolarHBondContact O-N 2.91Å; C137-S141 VanDerWaalsContact O-N 3.14Å; C137-S141 PolarHBondContact O-OG 3.03Å; S141-F143 VanDerWaalsContact C-N 3.33Å; S141-F143 PolarHBondContact OG-O 3.3Å; S141-T144 PolarHBondContact OG-OG1 3.46Å; S141-A171 CarbonylContact C-O 3.51Å; S141-A171 VanDerWaalsContact CA-O 3.26Å; S141-A171 WeakPolarHBondContact CA-O 3.31Å; S141-A171 WeakPolarHBondContact CB-O 3.29Å
142K97.4Very high96.1Very high87 Ų8755.1 Ų55.138%0.37828%0.284SS..SBendtrans-76.8-24.6173-64.8-179.365.2-165.80112.8T163 Y166 R168 A171 V172K142-T163 HydrophobicContact CB-CG2 3.95Å; K142-T163 WeakPolarHBondContact CE-O 3.47Å; K142-T163 PolarHBondContact NZ-O 2.57Å; K142-Y166 PolarHBondContact NZ-O 3.07Å; K142-R168 WeakPolarHBondContact CD-O 3.38Å; K142-R168 VanDerWaalsContact CE-O 3.26Å; K142-R168 WeakPolarHBondContact CE-O 3.32Å; K142-R168 PolarHBondContact NZ-O 3.47Å; K142-A171 PolarHBondContact N-O 3.01Å; K142-V172 HydrophobicContact CB-CG1 4.44Å
143F98Very high96.3Very high45 Ų4551.5 Ų51.520%0.19726%0.261CS..EExtended strand (participates in β ladder)trans-149.5130.9-177.7175.1-106.9000108.3S141 A145 V156 K159 A160 T163 V172 Y173S141-F143 VanDerWaalsContact C-N 3.33Å; S141-F143 PolarHBondContact OG-O 3.3Å; F143-A145 HydrophobicContact CE1-CB 3.69Å; F143-A145 HydrophobicContact CE2-CB 4.09Å; F143-A145 HydrophobicContact CZ-CB 3.38Å; F143-V156 HydrophobicContact CE1-CG1 4.25Å; F143-V156 HydrophobicContact CZ-CG1 4.44Å; F143-K159 HydrophobicContact CE1-CG 4.36Å; F143-K159 HydrophobicContact CE2-CG 4.02Å; F143-K159 HydrophobicContact CZ-CB 4.42Å; F143-K159 HydrophobicContact CZ-CG 3.9Å; F143-A160 HydrophobicContact CD1-CB 3.87Å; F143-A160 HydrophobicContact CE1-CB 3.92Å; F143-T163 HydrophobicContact CB-CG2 3.73Å; F143-V172 HydrophobicContact CB-CB 4.22Å; F143-V172 HydrophobicContact CB-CG1 3.81Å; F143-V172 HydrophobicContact CD1-CB 4.48Å; F143-V172 CarbonylContact O-C 3.6Å; F143-V172 VanDerWaalsContact O-CA 3.31Å; F143-V172 WeakPolarHBondContact O-CA 3.44Å; F143-Y173 PolarHBondContact O-N 2.85Å
144T98.1Very high96.5Very high29 Ų2951.9 Ų51.918%0.17826%0.263CS..EExtended strand (participates in β ladder)trans-130.3132.2172.4-47.90000108.9V134 C137 S141 Y173V134-T144 HydrophobicContact CB-CG2 4.22Å; V134-T144 HydrophobicContact CG1-CG2 3.95Å; V134-T144 HydrophobicContact CG2-CG2 4.37Å; V134-T144 WeakPolarHBondContact O-CG2 3.2Å; C137-T144 HydrophobicContact CB-CG2 4.05Å; S141-T144 PolarHBondContact OG-OG1 3.46Å; T144-Y173 VanDerWaalsContact CA-O 3.31Å; T144-Y173 WeakPolarHBondContact CA-O 2.94Å; T144-Y173 HydrophobicContact CG2-CD1 3.54Å; T144-Y173 HydrophobicContact CG2-CE1 4.47Å; T144-Y173 HydrophobicContact CG2-CG 4.29Å
145A97.8Very high96.6Very high18 Ų1853.2 Ų53.215%0.14927%0.274CS..EExtended strand (participates in β ladder)trans-152.5153.3175.200000112.7F143 V156 Y173 V174 D175F143-A145 HydrophobicContact CE1-CB 3.69Å; F143-A145 HydrophobicContact CE2-CB 4.09Å; F143-A145 HydrophobicContact CZ-CB 3.38Å; A145-V156 HydrophobicContact CB-CG1 3.92Å; A145-Y173 PolarHBondContact N-O 2.97Å; A145-Y173 VanDerWaalsContact N-O 3.09Å; A145-V174 CarbonylContact O-C 3.46Å; A145-V174 WeakPolarHBondContact O-CA 3.28Å; A145-D175 PolarHBondContact O-N 2.94Å
146R96.9Very high96.7Very high81 Ų8149.1 Ų49.131%0.30626%0.256SS..  trans-112.1124160.6177.9-177.5-71.2175.4-14.4107.9S117 E123 V134 S148 D175S117-R146 PolarHBondContact OG-NH2 3.39Å; S117-R146 VanDerWaalsContact OG-NH2 3.15Å; E123-R146 IonicContact OE1-CZ 3.6Å; E123-R146 IonicContact OE1-NH1 3.17Å; E123-R146 PolarHBondContact OE1-NH1 3.22Å; E123-R146 IonicContact OE1-NH2 3.22Å; E123-R146 PolarHBondContact OE1-NH2 3.37Å; E123-R146 IonicContact OE2-NH1 3.69Å; V134-R146 HydrophobicContact CG2-CB 4.21Å; R146-S148 PolarHBondContact O-N 3.06Å; R146-D175 HydrophobicContact CB-CB 4.16Å; R146-D175 IonicContact CZ-OD2 2.75Å; R146-D175 IonicContact NE-OD2 3.74Å; R146-D175 PolarHBondContact NE-OD2 3.08Å; R146-D175 IonicContact NH2-OD1 2.74Å; R146-D175 IonicContact NH2-OD2 2.8Å; R146-D175 PolarHBondContact NH2-OD2 2.77Å
147P97.1Very high96.9Very high2 Ų248 Ų481%0.01325%0.246CC..  trans-59.3135.4171.6-20.332.2000110.9S149 A152 I153 V156 V174 D175 I176 M180P147-S149 VanDerWaalsContact C-N 3.3Å; P147-S149 PolarHBondContact O-N 3.02Å; P147-A152 HydrophobicContact CB-CB 4.26Å; P147-I153 HydrophobicContact CB-CG1 3.95Å; P147-I153 HydrophobicContact CG-CG1 4.05Å; P147-V156 HydrophobicContact CB-CG2 4.21Å; P147-V156 HydrophobicContact CG-CB 4.1Å; P147-V156 HydrophobicContact CG-CG1 4.06Å; P147-V156 HydrophobicContact CG-CG2 4.16Å; P147-V174 HydrophobicContact CG-CG1 4.3Å; P147-D175 WeakPolarHBondContact CD-O 3.25Å; P147-I176 HydrophobicContact CG-CD1 4.12Å; P147-M180 HydrophobicContact CB-CE 4.22Å
148S95.8Very high97Very high97 Ų9748.7 Ų48.768%0.67825%0.25SS*.SBendtrans-73.9-22.7-179.553.60000113.5R146R146-S148 PolarHBondContact O-N 3.06Å
149S97Very high97.2Very high39 Ų3945.5 Ų45.527%0.27324%0.241SC..SBendtrans-157.7173.2-178.274.40000110.3P147 E151 A152 M180P147-S149 VanDerWaalsContact C-N 3.3Å; P147-S149 PolarHBondContact O-N 3.02Å; S149-E151 VanDerWaalsContact C-N 3.33Å; S149-E151 WeakPolarHBondContact CB-OE2 3.41Å; S149-E151 PolarHBondContact OG-OE2 2.9Å; S149-A152 PolarHBondContact O-N 2.8Å; S149-M180 VanDerWaalsContact C-CE 3.46Å; S149-M180 WeakPolarHBondContact O-CE 3.43Å
150L97.7Very high97.5Very high15 Ų1538.3 Ų38.38%0.07920%0.203CC..G310 helixtrans-65.2-37.9179.2-63.4-175.1000112L25 A152 I153 M180 A183 V185L25-L150 HydrophobicContact CD1-CB 4.04Å; L150-A152 PolarHBondContact O-N 2.78Å; L150-I153 HydrophobicContact CD2-CD1 3.78Å; L150-I153 WeakPolarHBondContact O-CB 3.48Å; L150-I153 WeakPolarHBondContact O-CG1 3.37Å; L150-I153 PolarHBondContact O-N 3Å; L150-I153 VanDerWaalsContact O-N 3.12Å; L150-M180 HydrophobicContact CD2-CB 4.01Å; L150-M180 HydrophobicContact CD2-CE 4.04Å; L150-M180 VanDerWaalsContact CD2-O 3.32Å; L150-M180 WeakPolarHBondContact CD2-O 3.41Å; L150-A183 HydrophobicContact CD1-CB 3.84Å; L150-A183 WeakPolarHBondContact CD1-O 3.41Å; L150-V185 HydrophobicContact CB-CB 4.12Å; L150-V185 HydrophobicContact CB-CG1 3.81Å; L150-V185 HydrophobicContact CD1-CB 3.91Å; L150-V185 HydrophobicContact CD1-CG1 3.98Å
151E97.6Very high97.7Very high71 Ų7134.2 Ų34.233%0.33219%0.187SC..G310 helixtrans-63.1-25.1178.6-53.384.4169.600112.3S149 V185 K189S149-E151 VanDerWaalsContact C-N 3.33Å; S149-E151 WeakPolarHBondContact CB-OE2 3.41Å; S149-E151 PolarHBondContact OG-OE2 2.9Å; E151-V185 HydrophobicContact CG-CG2 4.09Å; E151-V185 WeakPolarHBondContact OE1-CG2 3.48Å; E151-K189 HydrophobicContact CG-CB 4.33Å
152A97.6Very high97.8Very high22 Ų2237.8 Ų37.818%0.18220%0.198CC..G310 helixtrans-80.7-20178.900000113.4P147 S149 L150 S155 V156P147-A152 HydrophobicContact CB-CB 4.26Å; S149-A152 PolarHBondContact O-N 2.8Å; L150-A152 PolarHBondContact O-N 2.78Å; A152-S155 PolarHBondContact O-N 2.77Å; A152-V156 WeakPolarHBondContact O-CG2 3.29Å; A152-V156 PolarHBondContact O-N 2.79Å
153I98Very high97.8Very high1 Ų134.9 Ų34.91%0.00519%0.187CC..Hα-helixtrans-52.6-51.5-174.5-69.4171.6000112.1L25 I26 P147 L150 S155 V156 I157 M180L25-I153 HydrophobicContact CB-CD1 4.5Å; L25-I153 HydrophobicContact CB-CG2 4.35Å; I26-I153 HydrophobicContact CB-CG2 4.45Å; I26-I153 HydrophobicContact CG1-CD1 4.21Å; I26-I153 HydrophobicContact CG1-CG2 3.67Å; P147-I153 HydrophobicContact CB-CG1 3.95Å; P147-I153 HydrophobicContact CG-CG1 4.05Å; L150-I153 HydrophobicContact CD2-CD1 3.78Å; L150-I153 WeakPolarHBondContact O-CB 3.48Å; L150-I153 WeakPolarHBondContact O-CG1 3.37Å; L150-I153 PolarHBondContact O-N 3Å; L150-I153 VanDerWaalsContact O-N 3.12Å; I153-S155 VanDerWaalsContact C-N 3.29Å; I153-S155 PolarHBondContact O-N 3.03Å; I153-V156 PolarHBondContact O-N 3.16Å; I153-I157 HydrophobicContact CG2-CG1 4.12Å; I153-I157 WeakPolarHBondContact O-CG1 3.29Å; I153-I157 PolarHBondContact O-N 2.75Å; I153-M180 HydrophobicContact CD1-CE 4.42Å
154P98Very high97.8Very high9 Ų932.7 Ų32.76%0.05818%0.178CC..Hα-helixtrans-60.5-38-177-24.535.3000113.4S29 E158 V190 V193S29-P154 WeakPolarHBondContact OG-CA 3.39Å; P154-E158 WeakPolarHBondContact O-CB 3.33Å; P154-E158 PolarHBondContact O-N 2.89Å; P154-V190 HydrophobicContact CG-CG1 3.67Å; P154-V193 HydrophobicContact CB-CB 4.05Å; P154-V193 HydrophobicContact CB-CG2 3.74Å
155S97.9Very high97.8Very high49 Ų4931.6 Ų31.634%0.34317%0.171SC..Hα-helixtrans-71-39.1179.5-63.80000111.9A152 I153 K159A152-S155 PolarHBondContact O-N 2.77Å; I153-S155 VanDerWaalsContact C-N 3.29Å; I153-S155 PolarHBondContact O-N 3.03Å; S155-K159 WeakPolarHBondContact O-CB 3.37Å; S155-K159 PolarHBondContact O-N 3.37Å
156V98.4Very high97.7Very high24 Ų2433.4 Ų33.415%0.14517%0.174CC..Hα-helixtrans-67.8-43176.91740000111F143 A145 P147 A152 I153 K159 A160 V174F143-V156 HydrophobicContact CE1-CG1 4.25Å; F143-V156 HydrophobicContact CZ-CG1 4.44Å; A145-V156 HydrophobicContact CB-CG1 3.92Å; P147-V156 HydrophobicContact CB-CG2 4.21Å; P147-V156 HydrophobicContact CG-CB 4.1Å; P147-V156 HydrophobicContact CG-CG1 4.06Å; P147-V156 HydrophobicContact CG-CG2 4.16Å; A152-V156 WeakPolarHBondContact O-CG2 3.29Å; A152-V156 PolarHBondContact O-N 2.79Å; I153-V156 PolarHBondContact O-N 3.16Å; V156-K159 PolarHBondContact O-N 3.33Å; V156-A160 WeakPolarHBondContact O-CB 3.44Å; V156-A160 PolarHBondContact O-N 3.16Å; V156-V174 HydrophobicContact CG1-CG1 3.98Å; V156-V174 HydrophobicContact CG1-CG2 4.25Å
157I98.6Very high97.5Very high1 Ų131.6 Ų31.61%0.00518%0.181CC..Hα-helixtrans-63.9-45.4177.5-66.4-66.1000111L30 Q33 I153 K159 A160 V161 V174L30-I157 HydrophobicContact CD2-CD1 4.43Å; L30-I157 HydrophobicContact CD2-CG2 3.88Å; L30-I157 HydrophobicContact CG-CG2 4.35Å; Q33-I157 HydrophobicContact CG-CG2 4.22Å; I153-I157 HydrophobicContact CG2-CG1 4.12Å; I153-I157 WeakPolarHBondContact O-CG1 3.29Å; I153-I157 PolarHBondContact O-N 2.75Å; I157-K159 VanDerWaalsContact C-N 3.34Å; I157-K159 PolarHBondContact O-N 3.24Å; I157-A160 PolarHBondContact O-N 2.76Å; I157-V161 WeakPolarHBondContact O-CG2 3.39Å; I157-V161 PolarHBondContact O-N 3.3Å; I157-V174 HydrophobicContact CD1-CB 4.5Å; I157-V174 HydrophobicContact CD1-CG1 4.19Å; I157-V174 HydrophobicContact CD1-CG2 4.33Å
158E98.4Very high97.4Very high16 Ų1634.6 Ų34.68%0.07519%0.192CC..Hα-helixtrans-58.6-46.2174.5-173.2-77.4149.400111.5P154 A160 V161 R162 V193 C196P154-E158 WeakPolarHBondContact O-CB 3.33Å; P154-E158 PolarHBondContact O-N 2.89Å; E158-A160 VanDerWaalsContact C-N 3.31Å; E158-A160 PolarHBondContact O-N 3.49Å; E158-V161 PolarHBondContact O-N 2.84Å; E158-R162 VanDerWaalsContact O-CB 3.29Å; E158-R162 WeakPolarHBondContact O-CB 3.14Å; E158-R162 PolarHBondContact O-N 3.35Å; E158-R162 IonicContact OE1-CZ 3.24Å; E158-R162 IonicContact OE1-NE 3.35Å; E158-R162 PolarHBondContact OE1-NE 2.7Å; E158-R162 IonicContact OE1-NH2 3.77Å; E158-R162 PolarHBondContact OE1-NH2 2.83Å; E158-R162 IonicContact OE2-CZ 2.74Å; E158-R162 IonicContact OE2-NE 3.66Å; E158-R162 IonicContact OE2-NH2 3.96Å; E158-R162 PolarHBondContact OE2-NH2 3.4Å; E158-V193 HydrophobicContact CB-CG1 3.5Å; E158-V193 VanDerWaalsContact CB-CG1 3.5Å; E158-V193 HydrophobicContact CG-CG1 3.62Å; E158-C196 HydrophobicContact CG-CB 4.2Å; E158-C196 WeakPolarHBondContact OE1-CB 3.45Å
159K98.4Very high97.4Very high97 Ų9730.7 Ų30.742%0.42216%0.164SC..Hα-helixtrans-62.3-39.4177.9-178.263.2178.4-172.80112F143 S155 V156 I157 T163F143-K159 HydrophobicContact CE1-CG 4.36Å; F143-K159 HydrophobicContact CE2-CG 4.02Å; F143-K159 HydrophobicContact CZ-CB 4.42Å; F143-K159 HydrophobicContact CZ-CG 3.9Å; S155-K159 WeakPolarHBondContact O-CB 3.37Å; S155-K159 PolarHBondContact O-N 3.37Å; V156-K159 PolarHBondContact O-N 3.33Å; I157-K159 VanDerWaalsContact C-N 3.34Å; I157-K159 PolarHBondContact O-N 3.24Å; K159-T163 VanDerWaalsContact O-CB 3.26Å; K159-T163 WeakPolarHBondContact O-CB 3.31Å; K159-T163 PolarHBondContact O-N 3.23Å; K159-T163 PolarHBondContact O-OG1 3.33Å
160A98.5Very high97.5Very high0 Ų028.9 Ų28.90%015%0.152CC..Hα-helixtrans-64.1-49.617700000110.8L112 F143 V156 I157 E158 R162 T163 S164 V172 V174L112-A160 HydrophobicContact CD1-CB 3.75Å; F143-A160 HydrophobicContact CD1-CB 3.87Å; F143-A160 HydrophobicContact CE1-CB 3.92Å; V156-A160 WeakPolarHBondContact O-CB 3.44Å; V156-A160 PolarHBondContact O-N 3.16Å; I157-A160 PolarHBondContact O-N 2.76Å; E158-A160 VanDerWaalsContact C-N 3.31Å; E158-A160 PolarHBondContact O-N 3.49Å; A160-R162 PolarHBondContact O-N 3.37Å; A160-T163 PolarHBondContact O-N 2.96Å; A160-S164 PolarHBondContact O-N 2.74Å; A160-V172 HydrophobicContact CB-CB 4.45Å; A160-V172 HydrophobicContact CB-CG2 3.92Å; A160-V174 HydrophobicContact CB-CG2 3.66Å
161V98.6Very high97.5Very high0 Ų028.1 Ų28.10%015%0.148CC..Hα-helixtrans-61.3-46.2176.4174.60000111.2Q33 V35 P83 L112 I157 E158 T163 S164 I165 C196Q33-V161 HydrophobicContact CB-CB 4.27Å; Q33-V161 HydrophobicContact CB-CG1 4.2Å; Q33-V161 HydrophobicContact CB-CG2 3.86Å; Q33-V161 HydrophobicContact CG-CB 4.4Å; Q33-V161 HydrophobicContact CG-CG2 4.14Å; V35-V161 HydrophobicContact CG2-CG2 4.32Å; P83-V161 HydrophobicContact CG-CB 4.49Å; P83-V161 HydrophobicContact CG-CG1 3.9Å; P83-V161 HydrophobicContact CG-CG2 4.26Å; L112-V161 HydrophobicContact CD2-CG2 4.05Å; I157-V161 WeakPolarHBondContact O-CG2 3.39Å; I157-V161 PolarHBondContact O-N 3.3Å; E158-V161 PolarHBondContact O-N 2.84Å; V161-T163 VanDerWaalsContact C-N 3.31Å; V161-T163 PolarHBondContact O-N 3.32Å; V161-S164 PolarHBondContact O-N 2.88Å; V161-S164 PolarHBondContact O-OG 3.17Å; V161-I165 HydrophobicContact CG1-CD1 4.45Å; V161-I165 WeakPolarHBondContact O-CG1 3.33Å; V161-I165 PolarHBondContact O-N 3.1Å; V161-C196 VanDerWaalsContact CG1-SG 3.55Å
162R98.3Very high97.6Very high91 Ų9124.8 Ų24.834%0.34313%0.132SC..Hα-helixtrans-57.6-46.8176.6-171.1-168.5-59.6-163.22.9110.8E158 A160 S164 I165 Y166 C196E158-R162 VanDerWaalsContact O-CB 3.29Å; E158-R162 WeakPolarHBondContact O-CB 3.14Å; E158-R162 PolarHBondContact O-N 3.35Å; E158-R162 IonicContact OE1-CZ 3.24Å; E158-R162 IonicContact OE1-NE 3.35Å; E158-R162 PolarHBondContact OE1-NE 2.7Å; E158-R162 IonicContact OE1-NH2 3.77Å; E158-R162 PolarHBondContact OE1-NH2 2.83Å; E158-R162 IonicContact OE2-CZ 2.74Å; E158-R162 IonicContact OE2-NE 3.66Å; E158-R162 IonicContact OE2-NH2 3.96Å; E158-R162 PolarHBondContact OE2-NH2 3.4Å; A160-R162 PolarHBondContact O-N 3.37Å; R162-S164 VanDerWaalsContact C-N 3.34Å; R162-S164 PolarHBondContact O-N 3.33Å; R162-I165 PolarHBondContact O-N 3.21Å; R162-Y166 HydrophobicContact CG-CD1 3.79Å; R162-Y166 HydrophobicContact CG-CD2 3.77Å; R162-Y166 HydrophobicContact CG-CE1 3.75Å; R162-Y166 HydrophobicContact CG-CE2 3.7Å; R162-Y166 HydrophobicContact CG-CG 3.83Å; R162-Y166 WeakPolarHBondContact O-CB 3.15Å; R162-Y166 VanDerWaalsContact O-CD1 3.24Å; R162-Y166 WeakPolarHBondContact O-CD1 3.47Å; R162-Y166 PolarHBondContact O-N 2.98Å; R162-C196 HydrophobicContact CB-CB 4.25Å
163T98.1Very high97.6Very high25 Ų2523.7 Ų23.715%0.15312%0.124CC..Hα-helixtrans-70.5-30.5-177.4-52.30000112.2K142 F143 K159 A160 V161 I165 V172K142-T163 HydrophobicContact CB-CG2 3.95Å; K142-T163 WeakPolarHBondContact CE-O 3.47Å; K142-T163 PolarHBondContact NZ-O 2.57Å; F143-T163 HydrophobicContact CB-CG2 3.73Å; K159-T163 VanDerWaalsContact O-CB 3.26Å; K159-T163 WeakPolarHBondContact O-CB 3.31Å; K159-T163 PolarHBondContact O-N 3.23Å; K159-T163 PolarHBondContact O-OG1 3.33Å; A160-T163 PolarHBondContact O-N 2.96Å; V161-T163 VanDerWaalsContact C-N 3.31Å; V161-T163 PolarHBondContact O-N 3.32Å; T163-I165 VanDerWaalsContact C-N 3.33Å; T163-I165 PolarHBondContact O-N 3.39Å; T163-V172 HydrophobicContact CG2-CG1 4.41Å
164S98.3Very high97.7Very high0 Ų023.7 Ų23.70%012%0.123CC..Hα-helixtrans-69.2-30.5176.873.30000112.7P110 A160 V161 R162 P169 G170P110-S164 WeakPolarHBondContact CB-O 3.47Å; A160-S164 PolarHBondContact O-N 2.74Å; V161-S164 PolarHBondContact O-N 2.88Å; V161-S164 PolarHBondContact O-OG 3.17Å; R162-S164 VanDerWaalsContact C-N 3.34Å; R162-S164 PolarHBondContact O-N 3.33Å; S164-P169 CarbonylContact O-C 3.55Å; S164-P169 WeakPolarHBondContact O-CA 3.22Å; S164-P169 WeakPolarHBondContact O-CB 3.34Å; S164-G170 WeakPolarHBondContact CA-O 3.21Å; S164-G170 VanDerWaalsContact CB-O 3.32Å; S164-G170 WeakPolarHBondContact CB-O 3.33Å; S164-G170 PolarHBondContact O-N 2.87Å
165I96.9Very high97.6Very high6 Ų623.2 Ų23.23%0.03112%0.121CC..Hα-helixtrans-104.9-19.3-177.770.1-170.8000115.3R82 P83 P110 V161 R162 T163 P199R82-I165 VanDerWaalsContact NH1-CD1 3.33Å; P83-I165 HydrophobicContact CG-CG2 4.49Å; P110-I165 HydrophobicContact CB-CG2 3.65Å; P110-I165 HydrophobicContact CG-CG2 4.16Å; V161-I165 HydrophobicContact CG1-CD1 4.45Å; V161-I165 WeakPolarHBondContact O-CG1 3.33Å; V161-I165 PolarHBondContact O-N 3.1Å; R162-I165 PolarHBondContact O-N 3.21Å; T163-I165 VanDerWaalsContact C-N 3.33Å; T163-I165 PolarHBondContact O-N 3.39Å; I165-P199 HydrophobicContact CB-CG 4.37Å; I165-P199 HydrophobicContact CG1-CG 4.12Å; I165-P199 VanDerWaalsContact O-CG 3.31Å; I165-P199 WeakPolarHBondContact O-CG 3.35Å
166Y95.5Very high97.6Very high55 Ų5520.9 Ų20.922%0.21610%0.104CC..SBendtrans-82.2141.7-177.9-81.833.1000112.2K142 R162 P197 P198 P199K142-Y166 PolarHBondContact NZ-O 3.07Å; R162-Y166 HydrophobicContact CG-CD1 3.79Å; R162-Y166 HydrophobicContact CG-CD2 3.77Å; R162-Y166 HydrophobicContact CG-CE1 3.75Å; R162-Y166 HydrophobicContact CG-CE2 3.7Å; R162-Y166 HydrophobicContact CG-CG 3.83Å; R162-Y166 WeakPolarHBondContact O-CB 3.15Å; R162-Y166 VanDerWaalsContact O-CD1 3.24Å; R162-Y166 WeakPolarHBondContact O-CD1 3.47Å; R162-Y166 PolarHBondContact O-N 2.98Å; Y166-P197 WeakPolarHBondContact CE1-O 3.45Å; Y166-P197 WeakPolarHBondContact OH-CG 3.17Å; Y166-P197 PolarHBondContact OH-O 2.74Å; Y166-P198 PolarHBondContact OH-O 2.71Å; Y166-P199 HydrophobicContact CD1-CB 4.02Å; Y166-P199 HydrophobicContact CD1-CG 3.87Å; Y166-P199 HydrophobicContact CE1-CB 4.22Å; Y166-P199 HydrophobicContact CE1-CG 4.09Å
167G93.3Very high97.5Very high44 Ų4419.8 Ų19.845%0.45410%0.097SC..SBendtrans62.3-135.9-174.100000110.6P169G167-P169 WeakPolarHBondContact O-CD 3.16Å
168R94.4Very high97.4Very high65 Ų6520.1 Ų20.125%0.24510%0.101CC..SBendtrans-68.3118.3169.2172.8174-72.4-169.6-12.1110.2C108 K142 D314 C316 E319C108-R168 HydrophobicContact CB-CG 3.99Å; K142-R168 WeakPolarHBondContact CD-O 3.38Å; K142-R168 VanDerWaalsContact CE-O 3.26Å; K142-R168 WeakPolarHBondContact CE-O 3.32Å; K142-R168 PolarHBondContact NZ-O 3.47Å; R168-D314 IonicContact NH2-OD1 2.74Å; R168-C316 VanDerWaalsContact CZ-CB 3.44Å; R168-E319 IonicContact CZ-OE1 2.8Å; R168-E319 IonicContact NH1-OE1 3.94Å; R168-E319 PolarHBondContact NH1-OE1 3.17Å; R168-E319 VanDerWaalsContact NH2-CD 3.25Å; R168-E319 IonicContact NH2-OE1 3Å; R168-E319 PolarHBondContact NH2-OE1 2.97Å
169P97.1Very high97.3Very high14 Ų1421.7 Ų21.79%0.09111%0.11CC..  trans-66157-179.7-13.525.5000112.6C108 P110 S164 G167 Y232C108-P169 CarbonylContact C-O 3.53Å; C108-P169 VanDerWaalsContact C-O 3.32Å; C108-P169 WeakPolarHBondContact CA-O 3.49Å; C108-P169 WeakPolarHBondContact O-CB 3.49Å; P110-P169 HydrophobicContact CB-CB 4.22Å; P110-P169 HydrophobicContact CG-CB 4.44Å; S164-P169 CarbonylContact O-C 3.55Å; S164-P169 WeakPolarHBondContact O-CA 3.22Å; S164-P169 WeakPolarHBondContact O-CB 3.34Å; G167-P169 WeakPolarHBondContact O-CD 3.16Å; P169-Y232 HydrophobicContact CB-CE1 4.34Å; P169-Y232 HydrophobicContact CG-CD1 4.09Å; P169-Y232 HydrophobicContact CG-CE1 3.31Å
170G97.8Very high97.3Very high1 Ų117.2 Ų17.21%0.019%0.091CC..  trans-176-179179.600000113.8N105 W109 V111 S164N105-G170 WeakPolarHBondContact OD1-CA 3.4Å; W109-G170 CarbonylContact O-C 3.54Å; W109-G170 VanDerWaalsContact O-C 3.3Å; W109-G170 VanDerWaalsContact O-CA 3.25Å; W109-G170 WeakPolarHBondContact O-CA 3.37Å; V111-G170 PolarHBondContact N-O 3.26Å; S164-G170 WeakPolarHBondContact CA-O 3.21Å; S164-G170 VanDerWaalsContact CB-O 3.32Å; S164-G170 WeakPolarHBondContact CB-O 3.33Å; S164-G170 PolarHBondContact O-N 2.87Å
171A98.5Very high97.2Very high0 Ų017.3 Ų17.30%09%0.091CC..EExtended strand (participates in β ladder)trans-71.8145.9177.900000112.1M101 A104 N105 V111 S141 K142M101-A171 HydrophobicContact CB-CB 4.14Å; M101-A171 HydrophobicContact CG-CB 4.42Å; A104-A171 HydrophobicContact CB-CB 4.33Å; N105-A171 WeakPolarHBondContact OD1-CB 3.24Å; N105-A171 PolarHBondContact OD1-N 2.78Å; V111-A171 HydrophobicContact CG1-CB 3.47Å; V111-A171 VanDerWaalsContact CG1-CB 3.47Å; V111-A171 WeakPolarHBondContact O-CA 3.28Å; S141-A171 CarbonylContact C-O 3.51Å; S141-A171 VanDerWaalsContact CA-O 3.26Å; S141-A171 WeakPolarHBondContact CA-O 3.31Å; S141-A171 WeakPolarHBondContact CB-O 3.29Å; K142-A171 PolarHBondContact N-O 3.01Å
172V98.7Very high97Very high0 Ų021.5 Ų21.50%011%0.114CC..EExtended strand (participates in β ladder)trans-132.6151.3169.5-60.50000109V111 L112 V113 K142 F143 A160 T163V111-V172 WeakPolarHBondContact O-CG2 3.41Å; V111-V172 PolarHBondContact O-N 2.78Å; L112-V172 HydrophobicContact CB-CG2 4.23Å; L112-V172 HydrophobicContact CD1-CG2 3.5Å; L112-V172 HydrophobicContact CG-CG2 4.47Å; V113-V172 PolarHBondContact N-O 3.09Å; K142-V172 HydrophobicContact CB-CG1 4.44Å; F143-V172 HydrophobicContact CB-CB 4.22Å; F143-V172 HydrophobicContact CB-CG1 3.81Å; F143-V172 HydrophobicContact CD1-CB 4.48Å; F143-V172 CarbonylContact O-C 3.6Å; F143-V172 VanDerWaalsContact O-CA 3.31Å; F143-V172 WeakPolarHBondContact O-CA 3.44Å; A160-V172 HydrophobicContact CB-CB 4.45Å; A160-V172 HydrophobicContact CB-CG2 3.92Å; T163-V172 HydrophobicContact CG2-CG1 4.41Å
173Y98.6Very high96.9Very high0 Ų019 Ų190%011%0.112CC..EExtended strand (participates in β ladder)trans-122.7132.5178.1179.3-121.8000111.1L94 V113 Q133 C137 F143 T144 A145 D175L94-Y173 HydrophobicContact CD1-CD2 3.89Å; L94-Y173 HydrophobicContact CD1-CE2 3.47Å; L94-Y173 VanDerWaalsContact CD1-CE2 3.47Å; L94-Y173 HydrophobicContact CD2-CE1 4.02Å; L94-Y173 HydrophobicContact CD2-CE2 4.17Å; L94-Y173 HydrophobicContact CG-CE2 4.44Å; V113-Y173 HydrophobicContact CB-CD2 4.06Å; V113-Y173 HydrophobicContact CG1-CD2 3.95Å; V113-Y173 HydrophobicContact CG1-CE2 4.35Å; V113-Y173 CarbonylContact O-C 3.45Å; V113-Y173 WeakPolarHBondContact O-CA 3.2Å; V113-Y173 WeakPolarHBondContact O-CD2 3.36Å; Q133-Y173 HydrophobicContact CB-CE1 3.87Å; Q133-Y173 WeakPolarHBondContact CB-OH 3.22Å; Q133-Y173 PolarHBondContact NE2-OH 2.93Å; C137-Y173 HydrophobicContact CB-CD1 3.56Å; C137-Y173 HydrophobicContact CB-CE1 4.41Å; C137-Y173 HydrophobicContact CB-CG 3.93Å; C137-Y173 WeakPolarHBondContact SG-CD1 3.47Å; F143-Y173 PolarHBondContact O-N 2.85Å; T144-Y173 VanDerWaalsContact CA-O 3.31Å; T144-Y173 WeakPolarHBondContact CA-O 2.94Å; T144-Y173 HydrophobicContact CG2-CD1 3.54Å; T144-Y173 HydrophobicContact CG2-CE1 4.47Å; T144-Y173 HydrophobicContact CG2-CG 4.29Å; A145-Y173 PolarHBondContact N-O 2.97Å; A145-Y173 VanDerWaalsContact N-O 3.09Å; Y173-D175 HydrophobicContact CE1-CB 3.69Å; Y173-D175 PolarHBondContact OH-OD1 3.26Å; Y173-D175 VanDerWaalsContact OH-OD1 3.05Å
174V98.6Very high96.9Very high0 Ų024 Ų240%013%0.132CC..EExtended strand (participates in β ladder)trans-122.3115.7171.9-176.30000108.6L112 V113 I114 G115 A145 P147 V156 I157 A160 I176L112-V174 HydrophobicContact CD1-CG2 3.87Å; V113-V174 PolarHBondContact O-N 2.65Å; I114-V174 WeakPolarHBondContact CA-O 3.35Å; G115-V174 PolarHBondContact N-O 2.97Å; A145-V174 CarbonylContact O-C 3.46Å; A145-V174 WeakPolarHBondContact O-CA 3.28Å; P147-V174 HydrophobicContact CG-CG1 4.3Å; V156-V174 HydrophobicContact CG1-CG1 3.98Å; V156-V174 HydrophobicContact CG1-CG2 4.25Å; I157-V174 HydrophobicContact CD1-CB 4.5Å; I157-V174 HydrophobicContact CD1-CG1 4.19Å; I157-V174 HydrophobicContact CD1-CG2 4.33Å; A160-V174 HydrophobicContact CB-CG2 3.66Å; V174-I176 HydrophobicContact CG1-CD1 3.87Å
175D97.9Very high96.8Very high0 Ų024.5 Ų24.50%014%0.135CC..EExtended strand (participates in β ladder)trans-88.7132.1177.2-176.797.4000109.9S117 Q133 V134 A145 R146 P147 Y173S117-D175 WeakPolarHBondContact CB-OD1 3.49Å; S117-D175 PolarHBondContact OG-OD2 2.91Å; Q133-D175 WeakPolarHBondContact CB-OD1 3.47Å; Q133-D175 PolarHBondContact NE2-OD1 3.25Å; V134-D175 HydrophobicContact CG2-CB 3.74Å; A145-D175 PolarHBondContact O-N 2.94Å; R146-D175 HydrophobicContact CB-CB 4.16Å; R146-D175 IonicContact CZ-OD2 2.75Å; R146-D175 IonicContact NE-OD2 3.74Å; R146-D175 PolarHBondContact NE-OD2 3.08Å; R146-D175 IonicContact NH2-OD1 2.74Å; R146-D175 IonicContact NH2-OD2 2.8Å; R146-D175 PolarHBondContact NH2-OD2 2.77Å; P147-D175 WeakPolarHBondContact CD-O 3.25Å; Y173-D175 HydrophobicContact CE1-CB 3.69Å; Y173-D175 PolarHBondContact OH-OD1 3.26Å; Y173-D175 VanDerWaalsContact OH-OD1 3.05Å
176I97.7Very high96.8Very high0 Ų026.7 Ų26.70%015%0.145CC..EExtended strand (participates in β ladder)trans-123.3111.8179.9-53.8-63.1000108.6I26 I46 I114 G115 G116 S117 P147 V174 V181I26-I176 HydrophobicContact CD1-CB 4.45Å; I26-I176 HydrophobicContact CD1-CD1 3.82Å; I26-I176 HydrophobicContact CD1-CG1 3.87Å; I26-I176 HydrophobicContact CD1-CG2 3.8Å; I26-I176 HydrophobicContact CG1-CD1 4.28Å; I46-I176 HydrophobicContact CD1-CB 4.31Å; I114-I176 HydrophobicContact CG2-CG1 3.9Å; G115-I176 PolarHBondContact O-N 2.8Å; G116-I176 CarbonylContact C-O 3.5Å; G116-I176 VanDerWaalsContact CA-O 3.31Å; G116-I176 WeakPolarHBondContact CA-O 3.49Å; S117-I176 PolarHBondContact N-O 2.81Å; P147-I176 HydrophobicContact CG-CD1 4.12Å; V174-I176 HydrophobicContact CG1-CD1 3.87Å; I176-V181 HydrophobicContact CG2-CG2 3.72Å
177A96.6Very high96.7Very high0 Ų028.3 Ų28.30%015%0.151CC..EExtended strand (participates in β ladder)trans-65142.5176.700000112.1S117 R120 D179 M180 V181S117-A177 VanDerWaalsContact OG-CA 3.29Å; S117-A177 WeakPolarHBondContact OG-CA 3.45Å; R120-A177 HydrophobicContact CG-CB 3.68Å; A177-D179 VanDerWaalsContact C-N 3.29Å; A177-D179 WeakPolarHBondContact CB-OD1 3.43Å; A177-D179 PolarHBondContact O-N 3.13Å; A177-M180 HydrophobicContact CB-CG 4.17Å; A177-M180 HydrophobicContact CB-SD 4.22Å; A177-M180 WeakPolarHBondContact O-CA 3.41Å; A177-M180 WeakPolarHBondContact O-CB 3.47Å; A177-M180 PolarHBondContact O-N 2.85Å; A177-V181 PolarHBondContact O-N 3.34Å
178G96.1Very high96.7Very high8 Ų832.6 Ų32.68%0.08216%0.163CC..Hα-helixtrans-55.8-43.1-17500000113S117 D119 M180 V181S117-G178 PolarHBondContact O-N 3.23Å; D119-G178 VanDerWaalsContact OD1-CA 3.27Å; D119-G178 WeakPolarHBondContact OD1-CA 3.35Å; G178-M180 PolarHBondContact O-N 2.92Å; G178-V181 WeakPolarHBondContact O-CB 3.42Å; G178-V181 PolarHBondContact O-N 3.32Å
179D95.8Very high96.7Very high50 Ų5034.8 Ų34.827%0.26718%0.175SC..Hα-helixtrans-61.8-26.3177.168.1-67.1000112.9D119 R120 A177 A183D119-D179 HydrophobicContact CB-CB 4.1Å; D119-D179 PolarHBondContact OD1-N 3.12Å; R120-D179 WeakPolarHBondContact CG-OD1 3.38Å; R120-D179 IonicContact CZ-OD2 2.62Å; R120-D179 PolarHBondContact N-OD1 3Å; R120-D179 IonicContact NE-OD1 2.69Å; R120-D179 PolarHBondContact NE-OD1 3.4Å; R120-D179 IonicContact NE-OD2 2.66Å; R120-D179 PolarHBondContact NE-OD2 3.14Å; R120-D179 IonicContact NH2-OD2 3.72Å; R120-D179 PolarHBondContact NH2-OD2 3.35Å; A177-D179 VanDerWaalsContact C-N 3.29Å; A177-D179 WeakPolarHBondContact CB-OD1 3.43Å; A177-D179 PolarHBondContact O-N 3.13Å; D179-A183 VanDerWaalsContact O-CB 3.22Å; D179-A183 WeakPolarHBondContact O-CB 3.1Å; D179-A183 PolarHBondContact O-N 2.82Å
180M97.3Very high96.6Very high3 Ų335.1 Ų35.12%0.01518%0.176CC..Hα-helixtrans-79.6-24.2177-63.2-178.362.900113.2G22 P147 S149 L150 I153 A177 G178 N182G22-M180 WeakPolarHBondContact CA-O 3.34Å; P147-M180 HydrophobicContact CB-CE 4.22Å; S149-M180 VanDerWaalsContact C-CE 3.46Å; S149-M180 WeakPolarHBondContact O-CE 3.43Å; L150-M180 HydrophobicContact CD2-CB 4.01Å; L150-M180 HydrophobicContact CD2-CE 4.04Å; L150-M180 VanDerWaalsContact CD2-O 3.32Å; L150-M180 WeakPolarHBondContact CD2-O 3.41Å; I153-M180 HydrophobicContact CD1-CE 4.42Å; A177-M180 HydrophobicContact CB-CG 4.17Å; A177-M180 HydrophobicContact CB-SD 4.22Å; A177-M180 WeakPolarHBondContact O-CA 3.41Å; A177-M180 WeakPolarHBondContact O-CB 3.47Å; A177-M180 PolarHBondContact O-N 2.85Å; G178-M180 PolarHBondContact O-N 2.92Å; M180-N182 PolarHBondContact O-N 3.42Å
181V96.8Very high96.3Very high1 Ų143.9 Ų43.91%0.00621%0.209CC..Hα-helixtrans-61.8-45.8-174.6176.70000111.2G22 A23 P45 I46 E48 V49 I176 A177 G178G22-V181 PolarHBondContact N-O 2.95Å; A23-V181 HydrophobicContact CB-CG1 4.08Å; A23-V181 PolarHBondContact N-O 2.94Å; P45-V181 WeakPolarHBondContact O-CG1 3.29Å; P45-V181 WeakPolarHBondContact O-CG2 3.12Å; I46-V181 HydrophobicContact CD1-CG2 4.01Å; E48-V181 HydrophobicContact CB-CG1 3.95Å; V49-V181 HydrophobicContact CG2-CG1 3.96Å; V49-V181 HydrophobicContact CG2-CG2 4.45Å; I176-V181 HydrophobicContact CG2-CG2 3.72Å; A177-V181 PolarHBondContact O-N 3.34Å; G178-V181 WeakPolarHBondContact O-CB 3.42Å; G178-V181 PolarHBondContact O-N 3.32Å
182N94.9Very high96Very high89 Ų8952.7 Ų52.748%0.47625%0.25SS..Hα-helixtrans-103.3-7.1-176-72.4-39.4000113.8E48 M180E48-N182 WeakPolarHBondContact CG-OD1 3.26Å; E48-N182 PolarHBondContact OE1-ND2 3.06Å; M180-N182 PolarHBondContact O-N 3.42Å
183A96.9Very high95.9Very high38 Ų3854 Ų5431%0.31426%0.259SS..  trans-60.5152.3170.800000111.1T21 G22 L150 D179T21-A183 CarbonylContact C-O 3.18Å; T21-A183 VanDerWaalsContact CA-O 3.27Å; T21-A183 WeakPolarHBondContact CA-O 3.19Å; G22-A183 PolarHBondContact N-O 3.16Å; L150-A183 HydrophobicContact CD1-CB 3.84Å; L150-A183 WeakPolarHBondContact CD1-O 3.41Å; D179-A183 VanDerWaalsContact O-CB 3.22Å; D179-A183 WeakPolarHBondContact O-CB 3.1Å; D179-A183 PolarHBondContact O-N 2.82Å
184K97.3Very high95.8Very high129 Ų12958.8 Ų58.856%0.56129%0.292SS*.EExtended strand (participates in β ladder)trans-115.6150.6-177.8-64.1-175.1-179.7-1780111.5E19 V20 T21E19-K184 HydrophobicContact CB-CB 4.42Å; E19-K184 HydrophobicContact CB-CD 4.2Å; E19-K184 WeakPolarHBondContact OE2-CD 3.31Å; E19-K184 IonicContact OE2-NZ 3.05Å; E19-K184 PolarHBondContact OE2-NZ 2.7Å; V20-K184 WeakPolarHBondContact O-CA 3.37Å; T21-K184 HydrophobicContact CG2-CG 4.18Å
185V96.9Very high95.8Very high11 Ų1160.5 Ų60.57%0.06730%0.303CS..EExtended strand (participates in β ladder)trans-139.3148171.462.50000109.4E19 V20 L25 L150 E151 R187 K189 V190E19-V185 WeakPolarHBondContact CA-O 3.25Å; V20-V185 HydrophobicContact CG1-CG1 3.94Å; V20-V185 PolarHBondContact N-O 2.74Å; V20-V185 PolarHBondContact O-N 3.5Å; L25-V185 HydrophobicContact CD1-CG1 3.64Å; L150-V185 HydrophobicContact CB-CB 4.12Å; L150-V185 HydrophobicContact CB-CG1 3.81Å; L150-V185 HydrophobicContact CD1-CB 3.91Å; L150-V185 HydrophobicContact CD1-CG1 3.98Å; E151-V185 HydrophobicContact CG-CG2 4.09Å; E151-V185 WeakPolarHBondContact OE1-CG2 3.48Å; V185-R187 PolarHBondContact O-N 2.67Å; V185-K189 HydrophobicContact CG2-CB 4.11Å; V185-K189 HydrophobicContact CG2-CD 4.48Å; V185-V190 HydrophobicContact CG1-CG2 3.5Å; V185-V190 HydrophobicContact CG2-CG2 4.22Å
186E96.3Very high95.6Very high53 Ų5360.5 Ų60.525%0.24830%0.303CS..EExtended strand (participates in β ladder)trans-64.1130.4171.3-64.4158.8-136.100109.3M17 D188 K189M17-E186 HydrophobicContact CB-CG 4.45Å; M17-E186 HydrophobicContact SD-CG 4.38Å; E186-D188 WeakPolarHBondContact CB-OD1 3.36Å; E186-D188 PolarHBondContact O-N 3.49Å; E186-K189 HydrophobicContact CB-CD 4.15Å; E186-K189 HydrophobicContact CB-CG 4.32Å; E186-K189 WeakPolarHBondContact O-CB 3.34Å; E186-K189 PolarHBondContact O-N 3.03Å; E186-K189 VanDerWaalsContact O-N 3.08Å; E186-K189 IonicContact OE1-NZ 3.13Å; E186-K189 PolarHBondContact OE1-NZ 3.2Å; E186-K189 WeakPolarHBondContact OE2-CE 3.27Å; E186-K189 IonicContact OE2-NZ 3.62Å; E186-K189 PolarHBondContact OE2-NZ 3.17Å
187R93.5Very high95.5Very high88 Ų8864.1 Ų64.133%0.33233%0.327SS..G310 helixtrans-60.2-31.6-173.8-176.5175.4-71.1-83.42.1113D18 V20 E28 V185 K189 V190D18-R187 VanDerWaalsContact O-CB 3.27Å; D18-R187 WeakPolarHBondContact O-CB 3.48Å; D18-R187 PolarHBondContact O-N 3.09Å; D18-R187 VanDerWaalsContact OD2-CD 3.23Å; D18-R187 WeakPolarHBondContact OD2-CD 3.15Å; D18-R187 IonicContact OD2-NE 2.91Å; D18-R187 PolarHBondContact OD2-NE 2.86Å; V20-R187 HydrophobicContact CG1-CB 4.49Å; E28-R187 IonicContact OE1-CZ 2.79Å; E28-R187 IonicContact OE1-NH1 3.34Å; E28-R187 IonicContact OE1-NH2 3.15Å; E28-R187 PolarHBondContact OE1-NH2 3.27Å; E28-R187 IonicContact OE2-CZ 3.66Å; E28-R187 IonicContact OE2-NH1 2.71Å; E28-R187 PolarHBondContact OE2-NH1 3.41Å; E28-R187 IonicContact OE2-NH2 3.19Å; V185-R187 PolarHBondContact O-N 2.67Å; R187-K189 VanDerWaalsContact C-N 3.26Å; R187-K189 PolarHBondContact O-N 3.28Å; R187-V190 PolarHBondContact O-N 3.14Å; R187-V190 VanDerWaalsContact O-N 3.11Å
188D93.2Very high95.4Very high134 Ų13468.6 Ų68.672%0.71736%0.356SS*.G310 helixtrans-68.6-21.3178.766.8-20.4000113.9E186 V190E186-D188 WeakPolarHBondContact CB-OD1 3.36Å; E186-D188 PolarHBondContact O-N 3.49Å; D188-V190 VanDerWaalsContact C-N 3.33Å
189K93.9Very high95.3Very high112 Ų11270.7 Ų70.749%0.48737%0.368SS..G310 helixtrans-79-18.2172.3-65.9176179.3161.40112.6E151 V185 E186 R187E151-K189 HydrophobicContact CG-CB 4.33Å; V185-K189 HydrophobicContact CG2-CB 4.11Å; V185-K189 HydrophobicContact CG2-CD 4.48Å; E186-K189 HydrophobicContact CB-CD 4.15Å; E186-K189 HydrophobicContact CB-CG 4.32Å; E186-K189 WeakPolarHBondContact O-CB 3.34Å; E186-K189 PolarHBondContact O-N 3.03Å; E186-K189 VanDerWaalsContact O-N 3.08Å; E186-K189 IonicContact OE1-NZ 3.13Å; E186-K189 PolarHBondContact OE1-NZ 3.2Å; E186-K189 WeakPolarHBondContact OE2-CE 3.27Å; E186-K189 IonicContact OE2-NZ 3.62Å; E186-K189 PolarHBondContact OE2-NZ 3.17Å; R187-K189 VanDerWaalsContact C-N 3.26Å; R187-K189 PolarHBondContact O-N 3.28Å
190V94.9Very high95.1Very high20 Ų2073.1 Ų73.112%0.12139%0.387CS..SBendtrans-89.5119.5-179.5-175.80000109.7L25 P154 V185 R187 D188 E192L25-V190 HydrophobicContact CD1-CG2 4.01Å; L25-V190 HydrophobicContact CD2-CB 4.42Å; L25-V190 HydrophobicContact CD2-CG1 3.85Å; L25-V190 HydrophobicContact CD2-CG2 4.16Å; P154-V190 HydrophobicContact CG-CG1 3.67Å; V185-V190 HydrophobicContact CG1-CG2 3.5Å; V185-V190 HydrophobicContact CG2-CG2 4.22Å; R187-V190 PolarHBondContact O-N 3.14Å; R187-V190 VanDerWaalsContact O-N 3.11Å; D188-V190 VanDerWaalsContact C-N 3.33Å; V190-E192 PolarHBondContact O-N 3.15Å
191R91.8Very high95Very high185 Ų18578 Ų7870%0.69842%0.417SS*.PPolyproline II helixtrans-68.4131.4175.6176.2179.8174.6-174.82.7110.7V193R191-V193 HydrophobicContact CG-CG2 4.45Å; R191-V193 PolarHBondContact O-N 3.05Å
192E91.7Very high94.9Very high186 Ų18680.4 Ų80.487%0.86943%0.433SS*.PPolyproline II helixtrans-67.1127.4165.6-68.2-171.5170.300111.3V190V190-E192 PolarHBondContact O-N 3.15Å
193V96.9Very high94.9Very high28 Ų2881.3 Ų81.317%0.1744%0.437CS..  trans-119114.2178.7179.90000109T32 P154 E158 R191T32-V193 VanDerWaalsContact CG2-O 3.28Å; T32-V193 WeakPolarHBondContact CG2-O 3.22Å; P154-V193 HydrophobicContact CB-CB 4.05Å; P154-V193 HydrophobicContact CB-CG2 3.74Å; E158-V193 HydrophobicContact CB-CG1 3.5Å; E158-V193 VanDerWaalsContact CB-CG1 3.5Å; E158-V193 HydrophobicContact CG-CG1 3.62Å; R191-V193 HydrophobicContact CG-CG2 4.45Å; R191-V193 PolarHBondContact O-N 3.05Å
194S97.1Very high94.9Very high99 Ų9979.7 Ų79.769%0.69242%0.424SS*.PPolyproline II helixtrans-64.1157.8-179.8590000112.5Q33 C196Q33-S194 PolarHBondContact NE2-O 3.37Å; S194-C196 PolarHBondContact O-N 3.5Å
195C97.4Very high94.9Very high36 Ų3677.9 Ų77.924%0.24343%0.426CS..PPolyproline II helixtrans-53.3132.2171.1-169.80000111.2T32T32-C195 WeakPolarHBondContact O-CB 3.42Å; T32-C195 PolarHBondContact O-SG 3.33Å; T32-C195 VanDerWaalsContact O-SG 3.37Å
196C95.7Very high94.8Very high1 Ų181.3 Ų81.31%0.00745%0.45CS..PPolyproline II helixtrans-63.8132.2174.763.80000110.7Q33 R82 E158 V161 R162 S194Q33-C196 PolarHBondContact OE1-SG 3.29Å; R82-C196 PolarHBondContact NH1-O 3.1Å; R82-C196 PolarHBondContact NH1-SG 3.29Å; R82-C196 PolarHBondContact NH2-O 3.34Å; E158-C196 HydrophobicContact CG-CB 4.2Å; E158-C196 WeakPolarHBondContact OE1-CB 3.45Å; V161-C196 VanDerWaalsContact CG1-SG 3.55Å; R162-C196 HydrophobicContact CB-CB 4.25Å; S194-C196 PolarHBondContact O-N 3.5Å
197P95.5Very high94.9Very high76 Ų7682.1 Ų82.149%0.49447%0.465SS..PPolyproline II helixtrans-66.7159.517926.2-29.9000110.4Y166Y166-P197 WeakPolarHBondContact CE1-O 3.45Å; Y166-P197 WeakPolarHBondContact OH-CG 3.17Å; Y166-P197 PolarHBondContact OH-O 2.74Å
198P93.6Very high95.1Very high94 Ų9478.7 Ų78.761%0.6146%0.456SS*.PPolyproline II helixtrans-51.1152.1172.1-24.334.1000112.1Y166Y166-P198 PolarHBondContact OH-O 2.71Å
199P93.5Very high95.3Very high52 Ų5272.4 Ų72.434%0.33842%0.423SS..PPolyproline II helixtrans-54.4136.3175.1-23.132.5000111.3I165 Y166 V201I165-P199 HydrophobicContact CB-CG 4.37Å; I165-P199 HydrophobicContact CG1-CG 4.12Å; I165-P199 VanDerWaalsContact O-CG 3.31Å; I165-P199 WeakPolarHBondContact O-CG 3.35Å; Y166-P199 HydrophobicContact CD1-CB 4.02Å; Y166-P199 HydrophobicContact CD1-CG 3.87Å; Y166-P199 HydrophobicContact CE1-CB 4.22Å; Y166-P199 HydrophobicContact CE1-CG 4.09Å; P199-V201 PolarHBondContact O-N 3.04Å
200P92.9Very high95.4Very high101 Ų10171 Ų7166%0.65642%0.418SS*.PPolyproline II helixtrans-57.1134.7171.3-23.633.3000110.9
201V94Very high95.6Very high106 Ų10673.6 Ų73.664%0.64243%0.429SS*.PPolyproline II helixtrans-84.7118.7178.6-179.50000108.8P199 D333 A336P199-V201 PolarHBondContact O-N 3.04Å; V201-D333 HydrophobicContact CG1-CB 3.82Å; V201-A336 HydrophobicContact CG1-CB 3.55Å
202S94.1Very high95.9Very high50 Ų5064.8 Ų64.835%0.3540%0.395SS..PPolyproline II helixtrans-93.6142.1178.148.30000111.8G332 D333S202-G332 WeakPolarHBondContact O-CA 3.49Å; S202-G332 WeakPolarHBondContact OG-CA 3.32Å; S202-D333 PolarHBondContact O-N 3.24Å; S202-D333 PolarHBondContact OG-N 3.25Å
203L96Very high96.2Very high108 Ų10856 Ų5657%0.56535%0.354SS*.  trans-108.4152.7175.7-66.4170.7000110L331 A336 Q340L203-L331 CarbonylContact C-O 3.58Å; L203-A336 HydrophobicContact CD2-CB 3.63Å; L203-Q340 HydrophobicContact CD2-CG 4.1Å
204A96.8Very high96.3Very high4 Ų458.1 Ų58.13%0.03337%0.37CS..  trans-81.6157.3169.300000110.6S206 L330 V337 Q340A204-S206 PolarHBondContact O-N 2.9Å; A204-L330 HydrophobicContact CB-CB 4.01Å; A204-L330 HydrophobicContact CB-CD2 3.64Å; A204-L330 HydrophobicContact CB-CG 4.46Å; A204-V337 HydrophobicContact CB-CG1 4.44Å; A204-V337 HydrophobicContact CB-CG2 3.87Å; A204-Q340 PolarHBondContact O-NE2 2.81Å; A204-Q340 PolarHBondContact O-OE1 2.87Å
205P96.7Very high96.3Very high92 Ų9254.1 Ų54.160%0.59734%0.342SS*.  trans-55.5132.6171.2-24.534.2000111.4A207 A208 A209P205-A207 VanDerWaalsContact C-N 3.26Å; P205-A207 PolarHBondContact O-N 2.98Å; P205-A208 HydrophobicContact CB-CB 4.39Å; P205-A208 WeakPolarHBondContact O-CB 3.19Å; P205-A208 PolarHBondContact O-N 3.04Å; P205-A209 PolarHBondContact O-N 3.32Å
206S96Very high96.4Very high82 Ų8252.4 Ų52.457%0.57333%0.33SS*.Hα-helixtrans-55.9-39.9-175.3-52.10000112.9A204 A208 A209 E210A204-S206 PolarHBondContact O-N 2.9Å; S206-A208 VanDerWaalsContact C-N 3.25Å; S206-A208 PolarHBondContact O-N 3.47Å; S206-A209 PolarHBondContact O-N 2.96Å; S206-A209 VanDerWaalsContact O-N 3.12Å; S206-E210 WeakPolarHBondContact O-CG 3.48Å; S206-E210 PolarHBondContact O-N 2.93Å
207A97.3Very high96.5Very high70 Ų7056.4 Ų56.458%0.57935%0.348SS*.Hα-helixtrans-60.4-33.1176.500000113P205 E210 E211P205-A207 VanDerWaalsContact C-N 3.26Å; P205-A207 PolarHBondContact O-N 2.98Å; A207-E210 PolarHBondContact O-N 3.48Å; A207-E211 WeakPolarHBondContact O-CB 3.48Å; A207-E211 PolarHBondContact O-N 3.11Å
208A97.4Very high96.5Very high17 Ų1756.4 Ų56.414%0.1435%0.354CS..Hα-helixtrans-72.8-36.7176.400000111.5P205 S206 E210 E211 A212 V328 L330P205-A208 HydrophobicContact CB-CB 4.39Å; P205-A208 WeakPolarHBondContact O-CB 3.19Å; P205-A208 PolarHBondContact O-N 3.04Å; S206-A208 VanDerWaalsContact C-N 3.25Å; S206-A208 PolarHBondContact O-N 3.47Å; A208-E210 VanDerWaalsContact C-N 3.33Å; A208-E211 PolarHBondContact O-N 3.22Å; A208-A212 WeakPolarHBondContact O-CB 3.5Å; A208-A212 PolarHBondContact O-N 3.44Å; A208-V328 HydrophobicContact CB-CG1 4.32Å; A208-V328 WeakPolarHBondContact O-CG1 3.46Å; A208-L330 HydrophobicContact CB-CD2 3.61Å
209A97.4Very high96.7Very high1 Ų152.4 Ų52.41%0.00833%0.329CS..Hα-helixtrans-65.2-38.2173.700000111.8P205 S206 A212 L213 Q340 I341P205-A209 PolarHBondContact O-N 3.32Å; S206-A209 PolarHBondContact O-N 2.96Å; S206-A209 VanDerWaalsContact O-N 3.12Å; A209-A212 WeakPolarHBondContact O-CB 3.46Å; A209-A212 PolarHBondContact O-N 3.45Å; A209-L213 PolarHBondContact O-N 3.1Å; A209-L213 VanDerWaalsContact O-N 3.12Å; A209-Q340 HydrophobicContact CB-CB 3.98Å; A209-I341 HydrophobicContact CB-CG1 4.36Å
210E97.8Very high96.8Very high84 Ų8458 Ų5839%0.39335%0.347SS..Hα-helixtrans-66.3-42.8172.9-69.2179.9163.400112.1S206 A207 A208 A212 L213 S214 R347S206-E210 WeakPolarHBondContact O-CG 3.48Å; S206-E210 PolarHBondContact O-N 2.93Å; A207-E210 PolarHBondContact O-N 3.48Å; A208-E210 VanDerWaalsContact C-N 3.33Å; E210-A212 VanDerWaalsContact C-N 3.32Å; E210-A212 PolarHBondContact O-N 3.48Å; E210-L213 PolarHBondContact O-N 3Å; E210-S214 PolarHBondContact O-N 3.43Å; E210-R347 IonicContact OE1-CZ 3.68Å; E210-R347 IonicContact OE1-NH1 2.73Å; E210-R347 PolarHBondContact OE1-NH1 3.02Å; E210-R347 IonicContact OE1-NH2 3.55Å
211E98.3Very high97Very high73 Ų7354.4 Ų54.434%0.34132%0.324SS..Hα-helixtrans-61-42.7173.9-171.2-177.8178.700111A207 A208 L213 S214 V215 R327 V328A207-E211 WeakPolarHBondContact O-CB 3.48Å; A207-E211 PolarHBondContact O-N 3.11Å; A208-E211 PolarHBondContact O-N 3.22Å; E211-L213 VanDerWaalsContact C-N 3.32Å; E211-L213 PolarHBondContact O-N 3.47Å; E211-S214 WeakPolarHBondContact O-CB 3.48Å; E211-S214 PolarHBondContact O-N 3.37Å; E211-S214 VanDerWaalsContact O-N 3.1Å; E211-V215 HydrophobicContact CG-CG2 4.36Å; E211-V215 WeakPolarHBondContact O-CG2 3.21Å; E211-V215 PolarHBondContact O-N 3.42Å; E211-R327 IonicContact OE1-CZ 3.04Å; E211-R327 IonicContact OE1-NE 3.02Å; E211-R327 IonicContact OE1-NH2 2.81Å; E211-R327 PolarHBondContact OE1-NH2 3.45Å; E211-V328 HydrophobicContact CB-CG2 4.31Å; E211-V328 HydrophobicContact CG-CG2 3.78Å
212A98.3Very high97.1Very high0 Ų049.4 Ų49.40%029%0.294CS..Hα-helixtrans-56.7-46.317600000111.5A208 A209 E210 V215 L216 I311 V328 L330A208-A212 WeakPolarHBondContact O-CB 3.5Å; A208-A212 PolarHBondContact O-N 3.44Å; A209-A212 WeakPolarHBondContact O-CB 3.46Å; A209-A212 PolarHBondContact O-N 3.45Å; E210-A212 VanDerWaalsContact C-N 3.32Å; E210-A212 PolarHBondContact O-N 3.48Å; A212-V215 PolarHBondContact O-N 2.97Å; A212-L216 WeakPolarHBondContact O-CG 3.41Å; A212-L216 PolarHBondContact O-N 3.15Å; A212-I311 HydrophobicContact CB-CD1 4.27Å; A212-I311 HydrophobicContact CB-CG2 3.87Å; A212-I311 WeakPolarHBondContact O-CD1 3.4Å; A212-V328 HydrophobicContact CB-CG1 4.18Å; A212-L330 HydrophobicContact CB-CD1 3.99Å
213L98.1Very high97.2Very high1 Ų147 Ų471%0.00528%0.277CS..Hα-helixtrans-63.5-41.9174.5-179.960.3000111.9A209 E210 E211 V215 L216 K217 C344 V345 D348 W350A209-L213 PolarHBondContact O-N 3.1Å; A209-L213 VanDerWaalsContact O-N 3.12Å; E210-L213 PolarHBondContact O-N 3Å; E211-L213 VanDerWaalsContact C-N 3.32Å; E211-L213 PolarHBondContact O-N 3.47Å; L213-V215 VanDerWaalsContact C-N 3.29Å; L213-V215 PolarHBondContact O-N 3.42Å; L213-L216 PolarHBondContact O-N 3.47Å; L213-K217 HydrophobicContact CD1-CG 4.29Å; L213-K217 HydrophobicContact CG-CD 4.17Å; L213-K217 HydrophobicContact CG-CG 4.36Å; L213-K217 WeakPolarHBondContact O-CB 3.44Å; L213-K217 WeakPolarHBondContact O-CG 3.39Å; L213-K217 PolarHBondContact O-N 2.91Å; L213-C344 HydrophobicContact CB-CB 4.34Å; L213-C344 HydrophobicContact CD2-CB 3.45Å; L213-C344 VanDerWaalsContact CD2-CB 3.45Å; L213-C344 WeakPolarHBondContact CD2-O 3.39Å; L213-V345 HydrophobicContact CD1-CG2 3.71Å; L213-V345 HydrophobicContact CD2-CG2 4.44Å; L213-D348 HydrophobicContact CD2-CB 4.41Å; L213-D348 WeakPolarHBondContact CD2-OD2 3.29Å; L213-W350 HydrophobicContact CD1-CD2 4.05Å; L213-W350 HydrophobicContact CD1-CE3 3.58Å; L213-W350 HydrophobicContact CD1-CZ3 3.97Å
214S98.3Very high97.3Very high73 Ų7341.9 Ų41.951%0.5125%0.25SC..Hα-helixtrans-60.1-39.8176.9-173.30000112.1E210 E211 A218E210-S214 PolarHBondContact O-N 3.43Å; E211-S214 WeakPolarHBondContact O-CB 3.48Å; E211-S214 PolarHBondContact O-N 3.37Å; E211-S214 VanDerWaalsContact O-N 3.1Å; S214-A218 PolarHBondContact O-N 2.85Å
215V98.3Very high97.4Very high15 Ų1541.7 Ų41.79%0.09125%0.249CC..Hα-helixtrans-67.8-40.9176.2174.30000110.8E211 A212 L213 A218 A219 V284 K309 I311 R327 V328E211-V215 HydrophobicContact CG-CG2 4.36Å; E211-V215 WeakPolarHBondContact O-CG2 3.21Å; E211-V215 PolarHBondContact O-N 3.42Å; A212-V215 PolarHBondContact O-N 2.97Å; L213-V215 VanDerWaalsContact C-N 3.29Å; L213-V215 PolarHBondContact O-N 3.42Å; V215-A218 PolarHBondContact O-N 2.82Å; V215-A219 PolarHBondContact O-N 2.73Å; V215-V284 HydrophobicContact CG1-CG1 3.93Å; V215-V284 HydrophobicContact CG1-CG2 4.03Å; V215-K309 HydrophobicContact CG1-CD 4.34Å; V215-I311 HydrophobicContact CB-CD1 4.05Å; V215-I311 HydrophobicContact CG1-CD1 3.97Å; V215-I311 HydrophobicContact CG1-CG1 4.29Å; V215-R327 HydrophobicContact CG1-CG 4.39Å; V215-R327 HydrophobicContact CG2-CG 4.14Å; V215-V328 HydrophobicContact CG2-CG2 4.06Å
216L98Very high97.4Very high1 Ų137.4 Ų37.41%0.00522%0.22CC..Hα-helixtrans-64.5-39.6175.4-72.7168000112.6A212 L213 A218 A219 L248 V284 L286 I311 W350A212-L216 WeakPolarHBondContact O-CG 3.41Å; A212-L216 PolarHBondContact O-N 3.15Å; L213-L216 PolarHBondContact O-N 3.47Å; L216-A218 VanDerWaalsContact C-N 3.27Å; L216-A218 PolarHBondContact O-N 3.43Å; L216-A219 WeakPolarHBondContact O-CB 3.47Å; L216-A219 PolarHBondContact O-N 3.12Å; L216-A219 VanDerWaalsContact O-N 3.13Å; L216-L248 HydrophobicContact CD2-CD1 4.32Å; L216-V284 HydrophobicContact CD2-CG1 3.99Å; L216-L286 HydrophobicContact CD1-CD2 4.31Å; L216-L286 HydrophobicContact CD2-CB 4.41Å; L216-I311 HydrophobicContact CD1-CD1 4.38Å; L216-I311 HydrophobicContact CD2-CD1 4.1Å; L216-I311 HydrophobicContact CG-CD1 3.76Å; L216-W350 HydrophobicContact CB-CH2 3.95Å; L216-W350 HydrophobicContact CB-CZ2 4.47Å; L216-W350 HydrophobicContact CB-CZ3 4.49Å
217K97.5Very high97.5Very high85 Ų8533.5 Ų33.537%0.3719%0.193SC..Hα-helixtrans-60.4-36.3176.1-80.5175165.4-170.50113.1L213 A219 D348 W350L213-K217 HydrophobicContact CD1-CG 4.29Å; L213-K217 HydrophobicContact CG-CD 4.17Å; L213-K217 HydrophobicContact CG-CG 4.36Å; L213-K217 WeakPolarHBondContact O-CB 3.44Å; L213-K217 WeakPolarHBondContact O-CG 3.39Å; L213-K217 PolarHBondContact O-N 2.91Å; K217-A219 VanDerWaalsContact C-N 3.29Å; K217-D348 VanDerWaalsContact NZ-CG 3.31Å; K217-D348 IonicContact NZ-OD2 2.8Å; K217-D348 PolarHBondContact NZ-OD2 2.82Å; K217-W350 HydrophobicContact CD-CG 4.41Å; K217-W350 HydrophobicContact CG-CD2 3.98Å; K217-W350 HydrophobicContact CG-CG 3.84Å; K217-W350 HydrophobicContact CG-CZ2 4.41Å
218A97.3Very high97.4Very high76 Ų7631.3 Ų31.363%0.62817%0.171SC*.THydrogen-bonded Turntrans-81.8-717900000113.5S214 V215 L216S214-A218 PolarHBondContact O-N 2.85Å; V215-A218 PolarHBondContact O-N 2.82Å; L216-A218 VanDerWaalsContact C-N 3.27Å; L216-A218 PolarHBondContact O-N 3.43Å
219A97.3Very high97.4Very high9 Ų931.6 Ų31.67%0.07418%0.176CC..  trans-74.3134.9-17700000111.8V215 L216 K217 P222 V284V215-A219 PolarHBondContact O-N 2.73Å; L216-A219 WeakPolarHBondContact O-CB 3.47Å; L216-A219 PolarHBondContact O-N 3.12Å; L216-A219 VanDerWaalsContact O-N 3.13Å; K217-A219 VanDerWaalsContact C-N 3.29Å; A219-P222 HydrophobicContact CB-CB 3.75Å; A219-P222 HydrophobicContact CB-CG 4.14Å; A219-V284 HydrophobicContact CB-CB 3.8Å; A219-V284 HydrophobicContact CB-CG2 3.53Å
220K96Very high97.4Very high169 Ų16931.6 Ų31.674%0.73518%0.175SC*.SBendtrans-87.5-39172.4-64.2-177.3180-179.50111.1P222 D283 Y352K220-P222 VanDerWaalsContact C-CD 3.43Å; K220-D283 PolarHBondContact N-OD1 2.95Å; K220-D283 PolarHBondContact N-OD2 3.21Å; K220-Y352 PolarHBondContact O-OH 3.02Å
221T95.5Very high97.4Very high27 Ų2727.6 Ų27.617%0.16616%0.157CC..SBendtrans-128.358-175.748.70000110.9Q281 A282 D283 W358T221-Q281 WeakPolarHBondContact CB-O 3.5Å; T221-Q281 PolarHBondContact OG1-O 3.01Å; T221-A282 VanDerWaalsContact O-CA 3.25Å; T221-A282 WeakPolarHBondContact O-CA 3.21Å; T221-D283 WeakPolarHBondContact CA-OD1 3Å; T221-D283 PolarHBondContact N-OD1 2.94Å; T221-D283 PolarHBondContact O-N 3.48Å; T221-D283 PolarHBondContact OG1-N 2.89Å; T221-D283 PolarHBondContact OG1-OD1 3.09Å; T221-D283 VanDerWaalsContact OG1-OD1 3.14Å; T221-W358 HydrophobicContact CG2-CB 4.07Å; T221-W358 HydrophobicContact CG2-CD2 3.74Å; T221-W358 HydrophobicContact CG2-CE3 3.77Å; T221-W358 HydrophobicContact CG2-CG 3.91Å; T221-W358 HydrophobicContact CG2-CZ3 4.29Å
222P97.1Very high97.3Very high0 Ų026.4 Ų26.40%015%0.149CC..EExtended strand (participates in β ladder)trans-67.7150.3-177.530.2-35.8000111.8A219 K220 L248 P249 V284 Y352 W358A219-P222 HydrophobicContact CB-CB 3.75Å; A219-P222 HydrophobicContact CB-CG 4.14Å; K220-P222 VanDerWaalsContact C-CD 3.43Å; P222-L248 HydrophobicContact CB-CD2 3.64Å; P222-L248 HydrophobicContact CG-CD2 3.4Å; P222-P249 WeakPolarHBondContact O-CG 3.48Å; P222-V284 WeakPolarHBondContact CA-O 3.23Å; P222-Y352 VanDerWaalsContact CD-CE2 3.45Å; P222-Y352 HydrophobicContact CG-CD1 4.4Å; P222-Y352 HydrophobicContact CG-CD2 3.67Å; P222-Y352 HydrophobicContact CG-CE1 4.27Å; P222-Y352 HydrophobicContact CG-CE2 3.51Å; P222-Y352 HydrophobicContact CG-CG 4.13Å; P222-W358 PolarHBondContact O-NE1 2.94Å
223L97Very high97.2Very high0 Ų027.7 Ų27.70%016%0.158CC..EExtended strand (participates in β ladder)trans-142.6134.2175.1-178.667.7000111.2I225 P249 L251 V268 L279 A282 V284 V285 L286L223-I225 HydrophobicContact CD2-CG1 4.36Å; L223-I225 HydrophobicContact CG-CG1 4.49Å; L223-P249 HydrophobicContact CD1-CB 4.43Å; L223-P249 HydrophobicContact CD1-CG 4.44Å; L223-L251 HydrophobicContact CD1-CB 4.25Å; L223-V268 HydrophobicContact CD1-CG2 3.91Å; L223-L279 HydrophobicContact CD2-CD2 3.76Å; L223-A282 HydrophobicContact CB-CB 4.08Å; L223-V284 PolarHBondContact N-O 3.48Å; L223-V285 HydrophobicContact CB-CG2 4.46Å; L223-V285 CarbonylContact O-C 3.3Å; L223-V285 VanDerWaalsContact O-CA 3.29Å; L223-V285 WeakPolarHBondContact O-CA 3.24Å; L223-L286 PolarHBondContact O-N 3Å
224V98.3Very high97.1Very high0 Ų033.9 Ų33.90%018%0.181CC..EExtended strand (participates in β ladder)trans-96.1131170.9-175.70000109.4I226 F242 L248 P249 F250 L251 L286 L288V224-I226 HydrophobicContact CG1-CG1 4.03Å; V224-F242 HydrophobicContact CG2-CE1 4.23Å; V224-L248 HydrophobicContact CG2-CB 3.89Å; V224-L248 HydrophobicContact CG2-CD1 3.88Å; V224-P249 PolarHBondContact N-O 2.69Å; V224-F250 HydrophobicContact CB-CB 3.93Å; V224-F250 HydrophobicContact CG1-CB 4.44Å; V224-F250 CarbonylContact O-C 3.26Å; V224-F250 WeakPolarHBondContact O-CA 3.33Å; V224-L251 PolarHBondContact O-N 2.93Å; V224-L286 CarbonylContact C-O 3.03Å; V224-L286 WeakPolarHBondContact CA-O 3.35Å; V224-L286 HydrophobicContact CG1-CD2 4.47Å; V224-L286 HydrophobicContact CG2-CB 4.39Å; V224-L286 HydrophobicContact CG2-CD2 4.31Å; V224-L288 HydrophobicContact CG1-CD1 3.61Å; V224-L288 HydrophobicContact CG1-CG 4.3Å
225I97.5Very high97.1Very high1 Ų130.5 Ų30.51%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-111.1122.3172.3-63.5-180000109.1L223 L251 T253 L279 V285 L286 L287 L288 A290 L296L223-I225 HydrophobicContact CD2-CG1 4.36Å; L223-I225 HydrophobicContact CG-CG1 4.49Å; I225-L251 WeakPolarHBondContact CA-O 3.42Å; I225-T253 HydrophobicContact CG2-CG2 3.9Å; I225-L279 HydrophobicContact CD1-CD2 3.75Å; I225-V285 HydrophobicContact CB-CG1 4.44Å; I225-V285 HydrophobicContact CD1-CG1 3.57Å; I225-V285 HydrophobicContact CG1-CG1 3.85Å; I225-L286 PolarHBondContact N-O 3.41Å; I225-L287 HydrophobicContact CB-CD1 3.78Å; I225-L287 HydrophobicContact CD1-CD1 4.38Å; I225-L287 HydrophobicContact CG2-CD1 3.65Å; I225-L288 PolarHBondContact O-N 3.43Å; I225-A290 HydrophobicContact CG2-CB 4.41Å; I225-L296 HydrophobicContact CG2-CD1 4.13Å
226I98.1Very high97Very high1 Ų131.8 Ų31.81%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-105115-176.2-55.1-178.8000110V224 A230 L239 F250 L251 T253 V259 L260V224-I226 HydrophobicContact CG1-CG1 4.03Å; I226-A230 HydrophobicContact CG2-CB 3.76Å; I226-L239 HydrophobicContact CG2-CD1 4.44Å; I226-F250 HydrophobicContact CD1-CB 4.17Å; I226-F250 HydrophobicContact CD1-CD2 3.74Å; I226-F250 HydrophobicContact CD1-CE2 4.39Å; I226-F250 HydrophobicContact CD1-CG 4.07Å; I226-F250 HydrophobicContact CG1-CD2 4.42Å; I226-L251 PolarHBondContact N-O 3.13Å; I226-T253 WeakPolarHBondContact O-CG2 3.3Å; I226-T253 PolarHBondContact O-N 3.36Å; I226-T253 PolarHBondContact O-OG1 2.87Å; I226-V259 HydrophobicContact CG2-CB 3.91Å; I226-V259 HydrophobicContact CG2-CG1 3.86Å; I226-V259 HydrophobicContact CG2-CG2 4.17Å; I226-L260 HydrophobicContact CD1-CD1 3.92Å
227G96.8Very high97Very high0 Ų034.9 Ų34.90%019%0.188CC..  trans-87.5168.1178.200000114.2G229 A230 T253 L288 G289G227-G229 PolarHBondContact O-N 2.9Å; G227-A230 VanDerWaalsContact O-CB 3.31Å; G227-A230 WeakPolarHBondContact O-CB 3.46Å; G227-A230 PolarHBondContact O-N 3.39Å; G227-A230 VanDerWaalsContact O-N 3.13Å; G227-T253 VanDerWaalsContact CA-OG1 3.3Å; G227-T253 WeakPolarHBondContact CA-OG1 3.31Å; G227-L288 WeakPolarHBondContact CA-O 3.41Å; G227-L288 PolarHBondContact N-O 3.14Å; G227-G289 CarbonylContact C-O 3.58Å; G227-G289 VanDerWaalsContact CA-O 3.29Å; G227-G289 WeakPolarHBondContact CA-O 3.33Å
228K96.5Very high97.1Very high24 Ų2432 Ų3210%0.10418%0.178CC..Hα-helixtrans-65.7-18.616963.2170.4176.6169.70114.1Y78 N107 A230 A231 Y232 M255Y78-K228 HydrophobicContact CE2-CB 4.28Å; N107-K228 VanDerWaalsContact O-CE 3.26Å; N107-K228 WeakPolarHBondContact O-CE 3.32Å; N107-K228 PolarHBondContact O-NZ 3.44Å; N107-K228 PolarHBondContact OD1-NZ 3.3Å; K228-A230 PolarHBondContact O-N 3.19Å; K228-A231 WeakPolarHBondContact O-CB 3.21Å; K228-A231 PolarHBondContact O-N 3.4Å; K228-A231 VanDerWaalsContact O-N 3.16Å; K228-Y232 PolarHBondContact O-N 2.92Å; K228-M255 HydrophobicContact CB-CB 3.72Å; K228-M255 HydrophobicContact CD-CB 4.11Å; K228-M255 HydrophobicContact CD-SD 4.01Å; K228-M255 HydrophobicContact CG-CB 4.43Å
229G96.9Very high97.1Very high24 Ų2428.3 Ų28.325%0.24715%0.148CC..Hα-helixtrans-63.4-31.7171.100000112.2G227 Y232 S233 G289G227-G229 PolarHBondContact O-N 2.9Å; G229-Y232 PolarHBondContact O-N 2.83Å; G229-S233 WeakPolarHBondContact O-CB 3.41Å; G229-S233 PolarHBondContact O-N 2.76Å; G229-S233 PolarHBondContact O-OG 2.97Å; G229-G289 VanDerWaalsContact CA-O 3.32Å; G229-G289 WeakPolarHBondContact CA-O 3.29Å; G229-G289 PolarHBondContact N-O 3.28Å
230A97.6Very high97.2Very high0 Ų029.6 Ų29.60%016%0.155CC..Hα-helixtrans-66.3-40.717100000112I226 G227 K228 S233 R234 A235 L239 V259 V334I226-A230 HydrophobicContact CG2-CB 3.76Å; G227-A230 VanDerWaalsContact O-CB 3.31Å; G227-A230 WeakPolarHBondContact O-CB 3.46Å; G227-A230 PolarHBondContact O-N 3.39Å; G227-A230 VanDerWaalsContact O-N 3.13Å; K228-A230 PolarHBondContact O-N 3.19Å; A230-S233 WeakPolarHBondContact CA-OG 3.35Å; A230-S233 PolarHBondContact O-OG 2.93Å; A230-S233 VanDerWaalsContact O-OG 3.06Å; A230-R234 PolarHBondContact O-N 2.89Å; A230-A235 PolarHBondContact O-N 2.8Å; A230-A235 VanDerWaalsContact O-N 3.08Å; A230-L239 HydrophobicContact CB-CD1 3.66Å; A230-V259 HydrophobicContact CB-CG1 4.32Å; A230-V334 HydrophobicContact CB-CG1 4.1Å
231A97.3Very high97.3Very high0 Ų025.4 Ų25.40%014%0.138CC..Hα-helixtrans-65-40.6174.900000111.9Y78 K228 R234 V259 R424Y78-A231 WeakPolarHBondContact OH-CB 3.44Å; K228-A231 WeakPolarHBondContact O-CB 3.21Å; K228-A231 PolarHBondContact O-N 3.4Å; K228-A231 VanDerWaalsContact O-N 3.16Å; A231-R234 PolarHBondContact O-N 3.41Å; A231-V259 HydrophobicContact CB-CG2 3.55Å; A231-R424 HydrophobicContact CB-CG 4.03Å; A231-R424 WeakPolarHBondContact O-CD 3.43Å; A231-R424 PolarHBondContact O-NH1 2.72Å
232Y96.3Very high97.4Very high49 Ų4924.1 Ų24.119%0.19213%0.13CC..Hα-helixtrans-70.4-40179.8-172.8-96000112.7Y78 P110 P169 K228 G229 R234Y78-Y232 AromaticContact CD2-CD2 3.74Å; Y78-Y232 HydrophobicContact CD2-CD2 3.74Å; Y78-Y232 HydrophobicContact CD2-CG 4.49Å; Y78-Y232 HydrophobicContact CE2-CD2 4.36Å; P110-Y232 WeakPolarHBondContact CD-OH 3.47Å; P110-Y232 HydrophobicContact CG-CE2 4.27Å; P110-Y232 VanDerWaalsContact CG-OH 3.29Å; P110-Y232 WeakPolarHBondContact CG-OH 3.49Å; P169-Y232 HydrophobicContact CB-CE1 4.34Å; P169-Y232 HydrophobicContact CG-CD1 4.09Å; P169-Y232 HydrophobicContact CG-CE1 3.31Å; K228-Y232 PolarHBondContact O-N 2.92Å; G229-Y232 PolarHBondContact O-N 2.83Å; Y232-R234 PolarHBondContact O-N 2.97Å
233S95.6Very high97.5Very high26 Ų2624.1 Ų24.118%0.18213%0.13CC..THydrogen-bonded Turntrans-71.4-3.4175520000114.2G229 A230 A235 D333G229-S233 WeakPolarHBondContact O-CB 3.41Å; G229-S233 PolarHBondContact O-N 2.76Å; G229-S233 PolarHBondContact O-OG 2.97Å; A230-S233 WeakPolarHBondContact CA-OG 3.35Å; A230-S233 PolarHBondContact O-OG 2.93Å; A230-S233 VanDerWaalsContact O-OG 3.06Å; S233-A235 VanDerWaalsContact C-N 3.3Å; S233-A235 PolarHBondContact O-N 3.32Å; S233-D333 WeakPolarHBondContact CB-OD2 3.3Å
234R96.6Very high97.5Very high131 Ų13129.2 Ų29.249%0.49415%0.154SC..THydrogen-bonded Turntrans6137.2-177.2-49.6179.3-179-83-1.4113T80 A230 A231 Y232 E236T80-R234 PolarHBondContact O-NH2 3.28Å; A230-R234 PolarHBondContact O-N 2.89Å; A231-R234 PolarHBondContact O-N 3.41Å; Y232-R234 PolarHBondContact O-N 2.97Å; R234-E236 VanDerWaalsContact C-N 3.28Å; R234-E236 WeakPolarHBondContact CA-OE2 3.45Å; R234-E236 PolarHBondContact O-N 2.78Å
235A97.4Very high97.4Very high2 Ų232.3 Ų32.32%0.01717%0.168CC..  trans-83.15.3-175.400000114.3A230 S233 A237 V238 L239 V334A230-A235 PolarHBondContact O-N 2.8Å; A230-A235 VanDerWaalsContact O-N 3.08Å; S233-A235 VanDerWaalsContact C-N 3.3Å; S233-A235 PolarHBondContact O-N 3.32Å; A235-A237 PolarHBondContact O-N 2.92Å; A235-V238 HydrophobicContact CB-CG1 4.33Å; A235-V238 WeakPolarHBondContact O-CG1 3.4Å; A235-V238 PolarHBondContact O-N 3.08Å; A235-L239 HydrophobicContact CB-CD1 3.64Å; A235-L239 HydrophobicContact CB-CG 4.1Å; A235-L239 VanDerWaalsContact O-CB 3.25Å; A235-L239 WeakPolarHBondContact O-CB 3.43Å; A235-L239 WeakPolarHBondContact O-CD1 3.3Å; A235-L239 VanDerWaalsContact O-CG 3.29Å; A235-L239 WeakPolarHBondContact O-CG 3.27Å; A235-L239 PolarHBondContact O-N 3.37Å; A235-V334 HydrophobicContact CB-CG1 4.39Å
236E97.5Very high97.4Very high43 Ų4332.2 Ų32.220%0.20117%0.168CC..Hα-helixtrans-51.9-45.3-174.250.6-96.7-145.300114.7R234 T240 V259 P423 R424R234-E236 VanDerWaalsContact C-N 3.28Å; R234-E236 WeakPolarHBondContact CA-OE2 3.45Å; R234-E236 PolarHBondContact O-N 2.78Å; E236-T240 WeakPolarHBondContact O-CB 3.37Å; E236-T240 PolarHBondContact O-N 3.04Å; E236-T240 PolarHBondContact O-OG1 2.96Å; E236-V259 HydrophobicContact CB-CG1 4.45Å; E236-V259 WeakPolarHBondContact CB-O 3.49Å; E236-P423 HydrophobicContact CB-CB 4.38Å; E236-P423 HydrophobicContact CB-CG 4.08Å; E236-P423 HydrophobicContact CG-CG 3.94Å; E236-P423 WeakPolarHBondContact OE1-CG 3.24Å; E236-R424 IonicContact OE1-CZ 3.6Å; E236-R424 IonicContact OE1-NH1 2.94Å; E236-R424 PolarHBondContact OE1-NH1 3.34Å; E236-R424 VanDerWaalsContact OE1-NH1 3.1Å; E236-R424 IonicContact OE1-NH2 3.19Å; E236-R424 PolarHBondContact OE1-NH2 2.93Å; E236-R424 IonicContact OE2-NH1 3.76Å; E236-R424 PolarHBondContact OE2-NH1 3.04Å
237A97.9Very high97.4Very high65 Ų6532.7 Ų32.754%0.53717%0.173SC..Hα-helixtrans-67.5-54.3-176.200000111.8A235 L239 T240 E241A235-A237 PolarHBondContact O-N 2.92Å; A237-L239 VanDerWaalsContact C-N 3.31Å; A237-L239 PolarHBondContact O-N 3.25Å; A237-T240 WeakPolarHBondContact O-CB 2.96Å; A237-T240 PolarHBondContact O-N 3.35Å; A237-T240 VanDerWaalsContact O-N 3.14Å; A237-E241 PolarHBondContact O-N 3.21Å; A237-E241 VanDerWaalsContact O-N 3.08Å
238V98.3Very high97.4Very high24 Ų2432.7 Ų32.715%0.14517%0.173CC..Hα-helixtrans-66-33.6-17969.30000112.3A235 T240 E241 F242 V338 S339 L342A235-V238 HydrophobicContact CB-CG1 4.33Å; A235-V238 WeakPolarHBondContact O-CG1 3.4Å; A235-V238 PolarHBondContact O-N 3.08Å; V238-T240 VanDerWaalsContact C-N 3.34Å; V238-E241 PolarHBondContact O-N 3.16Å; V238-F242 VanDerWaalsContact O-CB 3.3Å; V238-F242 WeakPolarHBondContact O-CB 3.4Å; V238-F242 PolarHBondContact O-N 2.88Å; V238-V338 HydrophobicContact CG1-CB 4.36Å; V238-V338 HydrophobicContact CG1-CG1 4.14Å; V238-V338 HydrophobicContact CG2-CG1 4.04Å; V238-S339 WeakPolarHBondContact CG2-OG 3.46Å; V238-L342 HydrophobicContact CG2-CD2 3.95Å
239L98.1Very high97.4Very high0 Ų031.6 Ų31.60%017%0.168CC..Hα-helixtrans-67.4-36.5174.5-78.8168.6000112.2I226 A230 A235 A237 F242 V243 V259 L260 L288 V338I226-L239 HydrophobicContact CG2-CD1 4.44Å; A230-L239 HydrophobicContact CB-CD1 3.66Å; A235-L239 HydrophobicContact CB-CD1 3.64Å; A235-L239 HydrophobicContact CB-CG 4.1Å; A235-L239 VanDerWaalsContact O-CB 3.25Å; A235-L239 WeakPolarHBondContact O-CB 3.43Å; A235-L239 WeakPolarHBondContact O-CD1 3.3Å; A235-L239 VanDerWaalsContact O-CG 3.29Å; A235-L239 WeakPolarHBondContact O-CG 3.27Å; A235-L239 PolarHBondContact O-N 3.37Å; A237-L239 VanDerWaalsContact C-N 3.31Å; A237-L239 PolarHBondContact O-N 3.25Å; L239-F242 PolarHBondContact O-N 2.77Å; L239-V243 WeakPolarHBondContact O-CB 3.43Å; L239-V243 WeakPolarHBondContact O-CG2 3.22Å; L239-V243 PolarHBondContact O-N 2.95Å; L239-V259 HydrophobicContact CD1-CG1 3.74Å; L239-L260 HydrophobicContact CB-CD1 3.75Å; L239-L288 HydrophobicContact CD2-CD1 3.41Å; L239-L288 VanDerWaalsContact CD2-CD1 3.41Å; L239-V338 HydrophobicContact CD2-CB 4.37Å; L239-V338 HydrophobicContact CD2-CG1 3.89Å; L239-V338 HydrophobicContact CD2-CG2 3.71Å; L239-V338 HydrophobicContact CG-CG1 4.32Å; L239-V338 HydrophobicContact CG-CG2 4.45Å
240T98.2Very high97.4Very high35 Ų3530.5 Ų30.522%0.21516%0.156CC..Hα-helixtrans-62.5-51.9174.7-58.50000109.9E236 A237 V238 F242 V243 E244E236-T240 WeakPolarHBondContact O-CB 3.37Å; E236-T240 PolarHBondContact O-N 3.04Å; E236-T240 PolarHBondContact O-OG1 2.96Å; A237-T240 WeakPolarHBondContact O-CB 2.96Å; A237-T240 PolarHBondContact O-N 3.35Å; A237-T240 VanDerWaalsContact O-N 3.14Å; V238-T240 VanDerWaalsContact C-N 3.34Å; T240-F242 VanDerWaalsContact C-N 3.32Å; T240-F242 PolarHBondContact O-N 3.46Å; T240-V243 PolarHBondContact O-N 3.12Å; T240-E244 HydrophobicContact CG2-CG 4.37Å; T240-E244 WeakPolarHBondContact O-CB 3.16Å; T240-E244 WeakPolarHBondContact O-CG 3.04Å; T240-E244 PolarHBondContact O-N 2.81Å
241E98.3Very high97.2Very high82 Ų8230.5 Ų30.538%0.38316%0.157SC..Hα-helixtrans-55.7-46.4175.4-69.2178.5-15000111.7A237 V238 V243 E244 E245 L342 R346A237-E241 PolarHBondContact O-N 3.21Å; A237-E241 VanDerWaalsContact O-N 3.08Å; V238-E241 PolarHBondContact O-N 3.16Å; E241-V243 PolarHBondContact O-N 2.91Å; E241-E244 PolarHBondContact O-N 2.85Å; E241-E245 WeakPolarHBondContact O-CB 3.49Å; E241-E245 WeakPolarHBondContact O-CG 3.39Å; E241-E245 PolarHBondContact O-N 2.9Å; E241-L342 HydrophobicContact CB-CD2 3.85Å; E241-R346 IonicContact OE2-CZ 3.7Å; E241-R346 IonicContact OE2-NH1 3.8Å; E241-R346 IonicContact OE2-NH2 2.74Å; E241-R346 PolarHBondContact OE2-NH2 3.05Å
242F98.5Very high97.1Very high0 Ų030.6 Ų30.60%016%0.157CC..Hα-helixtrans-60-45.8178.5171.1-104.3000112.8V224 V238 L239 T240 S246 L248 L286 V338 I341 L342 V345V224-F242 HydrophobicContact CG2-CE1 4.23Å; V238-F242 VanDerWaalsContact O-CB 3.3Å; V238-F242 WeakPolarHBondContact O-CB 3.4Å; V238-F242 PolarHBondContact O-N 2.88Å; L239-F242 PolarHBondContact O-N 2.77Å; T240-F242 VanDerWaalsContact C-N 3.32Å; T240-F242 PolarHBondContact O-N 3.46Å; F242-S246 WeakPolarHBondContact O-CB 3.38Å; F242-S246 PolarHBondContact O-N 2.94Å; F242-S246 PolarHBondContact O-OG 3.14Å; F242-L248 HydrophobicContact CE1-CD1 4.24Å; F242-L248 HydrophobicContact CZ-CD1 3.91Å; F242-L286 HydrophobicContact CE1-CD2 3.73Å; F242-L286 HydrophobicContact CZ-CD2 3.71Å; F242-V338 HydrophobicContact CB-CG1 3.81Å; F242-V338 HydrophobicContact CD1-CG1 4.46Å; F242-V338 HydrophobicContact CG-CG1 4.07Å; F242-I341 HydrophobicContact CD2-CG2 4.4Å; F242-I341 HydrophobicContact CE2-CG2 3.67Å; F242-I341 HydrophobicContact CZ-CG2 4.3Å; F242-L342 HydrophobicContact CB-CD1 4.47Å; F242-L342 HydrophobicContact CD2-CB 4.46Å; F242-V345 HydrophobicContact CD2-CG2 4.4Å; F242-V345 HydrophobicContact CE2-CG2 4.04Å
243V98.1Very high97Very high0 Ų028.9 Ų28.90%015%0.152CC..Hα-helixtrans-68.3-40179.9167.80000111.5L239 T240 E241 G247 F250 L260L239-V243 WeakPolarHBondContact O-CB 3.43Å; L239-V243 WeakPolarHBondContact O-CG2 3.22Å; L239-V243 PolarHBondContact O-N 2.95Å; T240-V243 PolarHBondContact O-N 3.12Å; E241-V243 PolarHBondContact O-N 2.91Å; V243-G247 WeakPolarHBondContact O-CA 3.48Å; V243-G247 PolarHBondContact O-N 2.79Å; V243-F250 HydrophobicContact CG1-CD1 3.96Å; V243-F250 HydrophobicContact CG1-CE1 4.42Å; V243-F250 HydrophobicContact CG2-CD1 4.49Å; V243-L260 HydrophobicContact CB-CD2 3.79Å; V243-L260 HydrophobicContact CG1-CD2 3.91Å; V243-L260 HydrophobicContact CG2-CD2 3.78Å
244E97.4Very high96.9Very high106 Ų10628 Ų2850%0.49515%0.145SC..Hα-helixtrans-68.9-42.1-179.8-71.6-179.316800112.5T240 E241 K351T240-E244 HydrophobicContact CG2-CG 4.37Å; T240-E244 WeakPolarHBondContact O-CB 3.16Å; T240-E244 WeakPolarHBondContact O-CG 3.04Å; T240-E244 PolarHBondContact O-N 2.81Å; E241-E244 PolarHBondContact O-N 2.85Å; E244-K351 PolarHBondContact O-NZ 3.43Å
245E97.8Very high96.8Very high65 Ų6522 Ų2230%0.30412%0.123SC..Hα-helixtrans-72.8-48.5178.3-71.4-171.8-154.300111.5E241 G247 L342 R346 K351E241-E245 WeakPolarHBondContact O-CB 3.49Å; E241-E245 WeakPolarHBondContact O-CG 3.39Å; E241-E245 PolarHBondContact O-N 2.9Å; E245-G247 VanDerWaalsContact C-N 3.33Å; E245-G247 PolarHBondContact O-N 3.41Å; E245-L342 HydrophobicContact CB-CD1 4.31Å; E245-L342 WeakPolarHBondContact OE2-CD1 3.48Å; E245-R346 IonicContact OE1-CZ 3.24Å; E245-R346 VanDerWaalsContact OE1-CZ 3.24Å; E245-R346 IonicContact OE1-NE 2.96Å; E245-R346 PolarHBondContact OE1-NE 2.99Å; E245-R346 IonicContact OE1-NH2 2.69Å; E245-R346 PolarHBondContact OE1-NH2 2.69Å; E245-R346 WeakPolarHBondContact OE2-CG 3.28Å; E245-R346 IonicContact OE2-CZ 3.92Å; E245-R346 IonicContact OE2-NE 2.98Å; E245-R346 PolarHBondContact OE2-NE 2.91Å; E245-K351 WeakPolarHBondContact O-CD 3.36Å; E245-K351 VanDerWaalsContact O-CG 3.31Å; E245-K351 WeakPolarHBondContact O-CG 3.34Å
246S97.5Very high96.7Very high0 Ų021.9 Ų21.90%012%0.122CC..Hα-helixtrans-71.7-24.2179.568.90000113.5F242 L248 Y352F242-S246 WeakPolarHBondContact O-CB 3.38Å; F242-S246 PolarHBondContact O-N 2.94Å; F242-S246 PolarHBondContact O-OG 3.14Å; S246-L248 PolarHBondContact O-N 2.87Å; S246-L248 WeakPolarHBondContact OG-CG 3.35Å; S246-L248 PolarHBondContact OG-N 2.85Å; S246-Y352 VanDerWaalsContact O-CB 3.29Å; S246-Y352 WeakPolarHBondContact O-CB 3.19Å; S246-Y352 PolarHBondContact O-N 3.44Å
247G96.9Very high96.6Very high11 Ų1120.1 Ų20.111%0.11311%0.114CC..  trans67.718-177.600000114.7V243 E245 W359V243-G247 WeakPolarHBondContact O-CA 3.48Å; V243-G247 PolarHBondContact O-N 2.79Å; E245-G247 VanDerWaalsContact C-N 3.33Å; E245-G247 PolarHBondContact O-N 3.41Å; G247-W359 WeakPolarHBondContact O-CZ2 3.47Å; G247-W359 PolarHBondContact O-NE1 3.26Å
248L97.4Very high96.5Very high0 Ų017.1 Ų17.10%09%0.089CC..  trans-76.3144.1-177.9-71.5174000112.6L216 P222 V224 F242 S246 S266 W350 Y352L216-L248 HydrophobicContact CD2-CD1 4.32Å; P222-L248 HydrophobicContact CB-CD2 3.64Å; P222-L248 HydrophobicContact CG-CD2 3.4Å; V224-L248 HydrophobicContact CG2-CB 3.89Å; V224-L248 HydrophobicContact CG2-CD1 3.88Å; F242-L248 HydrophobicContact CE1-CD1 4.24Å; F242-L248 HydrophobicContact CZ-CD1 3.91Å; S246-L248 PolarHBondContact O-N 2.87Å; S246-L248 WeakPolarHBondContact OG-CG 3.35Å; S246-L248 PolarHBondContact OG-N 2.85Å; L248-S266 WeakPolarHBondContact O-CB 3.09Å; L248-W350 HydrophobicContact CD1-CH2 4.18Å; L248-W350 HydrophobicContact CD1-CZ3 4.31Å; L248-W350 HydrophobicContact CD2-CH2 4.06Å; L248-W350 HydrophobicContact CG-CH2 4.23Å; L248-Y352 HydrophobicContact CD2-CD1 4.45Å; L248-Y352 HydrophobicContact CD2-CD2 4.46Å; L248-Y352 HydrophobicContact CD2-CG 4Å
249P96.1Very high96.5Very high0 Ų016.1 Ų16.10%08%0.083CC..  trans-72.1145168.930-32.6000110.6P222 L223 V224 S266 V268 W359 L362P222-P249 WeakPolarHBondContact O-CG 3.48Å; L223-P249 HydrophobicContact CD1-CB 4.43Å; L223-P249 HydrophobicContact CD1-CG 4.44Å; V224-P249 PolarHBondContact N-O 2.69Å; P249-S266 WeakPolarHBondContact CA-O 3.37Å; P249-V268 HydrophobicContact CB-CG1 4.02Å; P249-W359 HydrophobicContact CB-CH2 3.52Å; P249-W359 HydrophobicContact CB-CZ2 3.76Å; P249-W359 HydrophobicContact CB-CZ3 4.12Å; P249-W359 HydrophobicContact CG-CH2 4.45Å; P249-W359 HydrophobicContact CG-CZ2 4.24Å; P249-L362 HydrophobicContact CB-CD1 3.88Å; P249-L362 HydrophobicContact CG-CD1 3.97Å
250F96.3Very high96.5Very high1 Ų116.1 Ų16.10%0.0048%0.083CC..EExtended strand (participates in β ladder)trans-129.3151.8176.879.4-91.2000113.6V224 I226 V243 P252 L260 H264 S266 C267 V268V224-F250 HydrophobicContact CB-CB 3.93Å; V224-F250 HydrophobicContact CG1-CB 4.44Å; V224-F250 CarbonylContact O-C 3.26Å; V224-F250 WeakPolarHBondContact O-CA 3.33Å; I226-F250 HydrophobicContact CD1-CB 4.17Å; I226-F250 HydrophobicContact CD1-CD2 3.74Å; I226-F250 HydrophobicContact CD1-CE2 4.39Å; I226-F250 HydrophobicContact CD1-CG 4.07Å; I226-F250 HydrophobicContact CG1-CD2 4.42Å; V243-F250 HydrophobicContact CG1-CD1 3.96Å; V243-F250 HydrophobicContact CG1-CE1 4.42Å; V243-F250 HydrophobicContact CG2-CD1 4.49Å; F250-P252 HydrophobicContact CE2-CG 4.38Å; F250-L260 HydrophobicContact CD1-CD2 4.05Å; F250-L260 HydrophobicContact CE1-CB 4.07Å; F250-L260 HydrophobicContact CE1-CD2 3.66Å; F250-L260 HydrophobicContact CE2-CB 3.99Å; F250-L260 HydrophobicContact CZ-CB 3.52Å; F250-L260 HydrophobicContact CZ-CD2 4Å; F250-L260 HydrophobicContact CZ-CG 4.41Å; F250-H264 HydrophobicContact CE1-CB 3.96Å; F250-H264 AromaticContact CE1-CG 3.93Å; F250-H264 AromaticContact CE1-ND1 3.58Å; F250-H264 HydrophobicContact CZ-CB 4.02Å; F250-S266 PolarHBondContact N-O 2.85Å; F250-C267 HydrophobicContact CE1-CB 3.82Å; F250-C267 HydrophobicContact CE2-CB 3.96Å; F250-C267 HydrophobicContact CZ-CB 3.45Å; F250-C267 VanDerWaalsContact CZ-CB 3.45Å; F250-V268 WeakPolarHBondContact O-CG2 3.39Å; F250-V268 PolarHBondContact O-N 3.32Å
251L94.7Very high96.4Very high1 Ų116.3 Ų16.31%0.0059%0.085CC..EExtended strand (participates in β ladder)trans-127.1111.3176.4179.168.3000109.3L223 V224 I225 I226 V268 A269 R272 L279L223-L251 HydrophobicContact CD1-CB 4.25Å; V224-L251 PolarHBondContact O-N 2.93Å; I225-L251 WeakPolarHBondContact CA-O 3.42Å; I226-L251 PolarHBondContact N-O 3.13Å; L251-V268 HydrophobicContact CB-CG2 4.33Å; L251-A269 HydrophobicContact CD1-CB 4.38Å; L251-R272 HydrophobicContact CD1-CB 4.48Å; L251-R272 HydrophobicContact CD1-CG 4.37Å; L251-L279 HydrophobicContact CD2-CD2 4.01Å; L251-L279 HydrophobicContact CD2-CG 4.41Å
252P95.2Very high96.2Very high1 Ų113 Ų131%0.0067%0.07CC..EExtended strand (participates in β ladder)trans-71.9139.8172.128.6-32.1000110.8F250 K257 A269 R272F250-P252 HydrophobicContact CE2-CG 4.38Å; P252-K257 HydrophobicContact CB-CG 4.16Å; P252-K257 HydrophobicContact CG-CG 4.08Å; P252-A269 HydrophobicContact CG-CB 4.08Å; P252-R272 PolarHBondContact O-NH1 2.82Å
253T94Very high95.9Very high14 Ų1416.8 Ų16.89%0.0869%0.09CC..  trans-64166.615961.90000110.3I225 I226 G227 M255 G256 K257 A290 L296I225-T253 HydrophobicContact CG2-CG2 3.9Å; I226-T253 WeakPolarHBondContact O-CG2 3.3Å; I226-T253 PolarHBondContact O-N 3.36Å; I226-T253 PolarHBondContact O-OG1 2.87Å; G227-T253 VanDerWaalsContact CA-OG1 3.3Å; G227-T253 WeakPolarHBondContact CA-OG1 3.31Å; T253-M255 VanDerWaalsContact C-N 3.35Å; T253-M255 PolarHBondContact O-N 3.03Å; T253-G256 WeakPolarHBondContact O-CA 3.12Å; T253-G256 PolarHBondContact O-N 3.47Å; T253-G256 PolarHBondContact OG1-N 2.91Å; T253-K257 PolarHBondContact O-N 2.82Å; T253-A290 HydrophobicContact CG2-CB 4Å; T253-L296 HydrophobicContact CG2-CD1 4.41Å
254P91.9Very high95.8Very high6 Ų618.2 Ų18.24%0.03910%0.097CC..G310 helixtrans-50.4-49.2-176.4-30.538.1000114.7K257 M295 R415 R426 D428P254-K257 WeakPolarHBondContact O-CD 3.31Å; P254-K257 WeakPolarHBondContact O-CG 3.43Å; P254-M295 HydrophobicContact CG-SD 4.19Å; P254-R415 HydrophobicContact CB-CG 4.46Å; P254-R426 WeakPolarHBondContact O-CG 3.37Å; P254-D428 WeakPolarHBondContact CB-OD2 3.49Å
255M95.4Very high95.5Very high5 Ų518.2 Ų18.23%0.02511%0.106CC..G310 helixtrans-89.90.8176-63-166.172.400114.2Y78 W109 K228 T253 K257 R426 L427 D428Y78-M255 HydrophobicContact CD1-CE 4.37Å; Y78-M255 HydrophobicContact CE1-CE 3.82Å; Y78-M255 PolarHBondContact OH-O 3.38Å; W109-M255 HydrophobicContact CH2-CE 3.66Å; W109-M255 HydrophobicContact CH2-SD 4.15Å; W109-M255 HydrophobicContact CZ2-CE 3.32Å; W109-M255 HydrophobicContact CZ2-SD 3.7Å; K228-M255 HydrophobicContact CB-CB 3.72Å; K228-M255 HydrophobicContact CD-CB 4.11Å; K228-M255 HydrophobicContact CD-SD 4.01Å; K228-M255 HydrophobicContact CG-CB 4.43Å; T253-M255 VanDerWaalsContact C-N 3.35Å; T253-M255 PolarHBondContact O-N 3.03Å; M255-K257 VanDerWaalsContact C-N 3.35Å; M255-R426 VanDerWaalsContact CE-O 3.27Å; M255-R426 WeakPolarHBondContact CE-O 3.41Å; M255-L427 HydrophobicContact CE-CD2 3.96Å; M255-D428 WeakPolarHBondContact CG-OD1 3.32Å
256G95.9Very high95.4Very high1 Ų116 Ų161%0.0110%0.097CC..G310 helixtrans-86.8-6.8168.200000113.1T253 V259T253-G256 WeakPolarHBondContact O-CA 3.12Å; T253-G256 PolarHBondContact O-N 3.47Å; T253-G256 PolarHBondContact OG1-N 2.91Å; G256-V259 WeakPolarHBondContact O-CB 3.47Å; G256-V259 WeakPolarHBondContact O-CG2 3.44Å; G256-V259 PolarHBondContact O-N 3.26Å
257K95.6Very high95.2Very high6 Ų616.6 Ų16.63%0.02610%0.102CC..THydrogen-bonded Turntrans-57.9139.8174.1-73.3170.859.681.10110.2P252 T253 P254 M255 V259 D262 R415 L418 N420P252-K257 HydrophobicContact CB-CG 4.16Å; P252-K257 HydrophobicContact CG-CG 4.08Å; T253-K257 PolarHBondContact O-N 2.82Å; P254-K257 WeakPolarHBondContact O-CD 3.31Å; P254-K257 WeakPolarHBondContact O-CG 3.43Å; M255-K257 VanDerWaalsContact C-N 3.35Å; K257-V259 VanDerWaalsContact C-N 3.28Å; K257-V259 PolarHBondContact O-N 2.78Å; K257-D262 WeakPolarHBondContact CE-OD2 3.28Å; K257-D262 IonicContact NZ-OD2 2.7Å; K257-D262 PolarHBondContact NZ-OD2 2.72Å; K257-R415 PolarHBondContact NZ-O 3.01Å; K257-L418 VanDerWaalsContact CE-O 3.29Å; K257-L418 WeakPolarHBondContact CE-O 3.11Å; K257-L418 PolarHBondContact NZ-O 3.19Å; K257-N420 HydrophobicContact CB-CB 4.09Å; K257-N420 WeakPolarHBondContact CE-OD1 3.46Å
258G96Very high94.9Very high1 Ų116.2 Ų16.21%0.0110%0.097CC..THydrogen-bonded Turntrans78.4-7.7-17800000116.1L260 D262 N420 L422 P423G258-L260 VanDerWaalsContact C-N 3.27Å; G258-L260 CarbonylContact C-O 3.57Å; G258-L260 VanDerWaalsContact C-O 3.26Å; G258-L260 VanDerWaalsContact CA-O 3.24Å; G258-L260 WeakPolarHBondContact CA-O 3.32Å; G258-L260 PolarHBondContact N-O 3.18Å; G258-L260 PolarHBondContact O-N 2.81Å; G258-D262 PolarHBondContact N-OD1 3.08Å; G258-N420 WeakPolarHBondContact CA-O 3.23Å; G258-L422 CarbonylContact O-C 3.51Å; G258-L422 WeakPolarHBondContact O-CA 3.34Å; G258-P423 WeakPolarHBondContact O-CD 3.44Å
259V97.6Very high94.2Very high3 Ų317.2 Ų17.22%0.01811%0.105CC..SBendtrans-57.5-46.8169.9173.60000110.3I226 A230 A231 E236 L239 G256 K257I226-V259 HydrophobicContact CG2-CB 3.91Å; I226-V259 HydrophobicContact CG2-CG1 3.86Å; I226-V259 HydrophobicContact CG2-CG2 4.17Å; A230-V259 HydrophobicContact CB-CG1 4.32Å; A231-V259 HydrophobicContact CB-CG2 3.55Å; E236-V259 HydrophobicContact CB-CG1 4.45Å; E236-V259 WeakPolarHBondContact CB-O 3.49Å; L239-V259 HydrophobicContact CD1-CG1 3.74Å; G256-V259 WeakPolarHBondContact O-CB 3.47Å; G256-V259 WeakPolarHBondContact O-CG2 3.44Å; G256-V259 PolarHBondContact O-N 3.26Å; K257-V259 VanDerWaalsContact C-N 3.28Å; K257-V259 PolarHBondContact O-N 2.78Å
260L97.3Very high92.8Very high1 Ų119.8 Ų19.81%0.00513%0.127CC..SBendtrans-107.9149.7151.4-8168.1000107I226 L239 V243 F250 G258 D262I226-L260 HydrophobicContact CD1-CD1 3.92Å; L239-L260 HydrophobicContact CB-CD1 3.75Å; V243-L260 HydrophobicContact CB-CD2 3.79Å; V243-L260 HydrophobicContact CG1-CD2 3.91Å; V243-L260 HydrophobicContact CG2-CD2 3.78Å; F250-L260 HydrophobicContact CD1-CD2 4.05Å; F250-L260 HydrophobicContact CE1-CB 4.07Å; F250-L260 HydrophobicContact CE1-CD2 3.66Å; F250-L260 HydrophobicContact CE2-CB 3.99Å; F250-L260 HydrophobicContact CZ-CB 3.52Å; F250-L260 HydrophobicContact CZ-CD2 4Å; F250-L260 HydrophobicContact CZ-CG 4.41Å; G258-L260 VanDerWaalsContact C-N 3.27Å; G258-L260 CarbonylContact C-O 3.57Å; G258-L260 VanDerWaalsContact C-O 3.26Å; G258-L260 VanDerWaalsContact CA-O 3.24Å; G258-L260 WeakPolarHBondContact CA-O 3.32Å; G258-L260 PolarHBondContact N-O 3.18Å; G258-L260 PolarHBondContact O-N 2.81Å; L260-D262 PolarHBondContact O-N 3.46Å
261P96.4Very high90.8Very high38 Ų3819.9 Ų19.925%0.24713%0.127CC..  trans-54.2135.7177.1-25.934.4000112.1D263 H264 Y421P261-D263 VanDerWaalsContact CB-OD1 3.25Å; P261-D263 WeakPolarHBondContact CB-OD1 3.28Å; P261-D263 PolarHBondContact O-N 2.83Å; P261-H264 WeakPolarHBondContact O-CB 3.49Å; P261-H264 PolarHBondContact O-N 2.98Å; P261-Y421 HydrophobicContact CB-CD1 4.26Å
262D93.9Very high88.7Confident14 Ų1422.8 Ų22.88%0.07514%0.138CC..THydrogen-bonded Turntrans-65.6-19.8-177.6-76.3-12.9000113.3K257 G258 L260 H264 C267 N419 N420K257-D262 WeakPolarHBondContact CE-OD2 3.28Å; K257-D262 IonicContact NZ-OD2 2.7Å; K257-D262 PolarHBondContact NZ-OD2 2.72Å; G258-D262 PolarHBondContact N-OD1 3.08Å; L260-D262 PolarHBondContact O-N 3.46Å; D262-H264 VanDerWaalsContact C-N 3.35Å; D262-C267 WeakPolarHBondContact O-CB 3.26Å; D262-C267 PolarHBondContact O-SG 3.07Å; D262-C267 VanDerWaalsContact O-SG 3.33Å; D262-N419 HydrophobicContact CB-CB 3.99Å; D262-N419 WeakPolarHBondContact OD2-CA 3.46Å; D262-N420 WeakPolarHBondContact CB-O 3.07Å; D262-N420 VanDerWaalsContact CG-O 3.22Å; D262-N420 PolarHBondContact N-O 2.93Å; D262-N420 PolarHBondContact OD2-N 3.15Å
263D92.6Very high86.4Confident79 Ų7923 Ų2342%0.42214%0.14SC..THydrogen-bonded Turntrans-89.84.6173.165.7-14.4000113.8P261 R399 Y421P261-D263 VanDerWaalsContact CB-OD1 3.25Å; P261-D263 WeakPolarHBondContact CB-OD1 3.28Å; P261-D263 PolarHBondContact O-N 2.83Å; D263-R399 VanDerWaalsContact CG-NH2 3.29Å; D263-R399 IonicContact OD1-NH2 2.75Å; D263-R399 PolarHBondContact OD1-NH2 2.93Å; D263-R399 IonicContact OD2-CZ 2.6Å; D263-R399 VanDerWaalsContact OD2-CZ 3.24Å; D263-R399 IonicContact OD2-NH1 3.03Å; D263-R399 PolarHBondContact OD2-NH1 2.94Å; D263-R399 IonicContact OD2-NH2 3.24Å; D263-R399 PolarHBondContact OD2-NH2 3.23Å; D263-Y421 HydrophobicContact CB-CE1 4Å; D263-Y421 VanDerWaalsContact CG-CE1 3.45Å; D263-Y421 WeakPolarHBondContact OD1-CD1 3.39Å; D263-Y421 WeakPolarHBondContact OD2-CE1 3.27Å
264H95.3Very high84.1Confident29 Ų2925.9 Ų25.913%0.13415%0.149CC..  trans-56.7137.4175.6-175.6-83.6000110.4F250 P261 D262 S266 C267F250-H264 HydrophobicContact CE1-CB 3.96Å; F250-H264 AromaticContact CE1-CG 3.93Å; F250-H264 AromaticContact CE1-ND1 3.58Å; F250-H264 HydrophobicContact CZ-CB 4.02Å; P261-H264 WeakPolarHBondContact O-CB 3.49Å; P261-H264 PolarHBondContact O-N 2.98Å; D262-H264 VanDerWaalsContact C-N 3.35Å; H264-S266 PolarHBondContact CE1-OG 2.8Å; H264-S266 WeakPolarHBondContact ND1-CB 3.49Å; H264-S266 PolarHBondContact ND1-N 3.06Å; H264-S266 PolarHBondContact O-N 3.37Å; H264-C267 HydrophobicContact CB-CB 4.4Å; H264-C267 WeakPolarHBondContact O-CB 3.44Å; H264-C267 PolarHBondContact O-N 2.72Å
265P92.4Very high81.8Confident107 Ų10725.7 Ų25.770%0.69515%0.148SC*.THydrogen-bonded Turntrans-57.1-27.7-175.7-27.535.1000114.9
266S94.6Very high79.8Confident17 Ų1726.4 Ų26.412%0.11915%0.151CC..THydrogen-bonded Turntrans-86.1-5176.6-51.50000115.1L248 P249 F250 H264 V268L248-S266 WeakPolarHBondContact O-CB 3.09Å; P249-S266 WeakPolarHBondContact CA-O 3.37Å; F250-S266 PolarHBondContact N-O 2.85Å; H264-S266 PolarHBondContact CE1-OG 2.8Å; H264-S266 WeakPolarHBondContact ND1-CB 3.49Å; H264-S266 PolarHBondContact ND1-N 3.06Å; H264-S266 PolarHBondContact O-N 3.37Å; S266-V268 PolarHBondContact O-N 3.11Å
267C93.6Very high78.3Confident14 Ų1431.3 Ų31.310%0.09517%0.17CC..BIsolated β-bridgetrans-74.4123.2178.1-175.20000110.2F250 D262 H264 A269F250-C267 HydrophobicContact CE1-CB 3.82Å; F250-C267 HydrophobicContact CE2-CB 3.96Å; F250-C267 HydrophobicContact CZ-CB 3.45Å; F250-C267 VanDerWaalsContact CZ-CB 3.45Å; D262-C267 WeakPolarHBondContact O-CB 3.26Å; D262-C267 PolarHBondContact O-SG 3.07Å; D262-C267 VanDerWaalsContact O-SG 3.33Å; H264-C267 HydrophobicContact CB-CB 4.4Å; H264-C267 WeakPolarHBondContact O-CB 3.44Å; H264-C267 PolarHBondContact O-N 2.72Å; C267-A269 WeakPolarHBondContact SG-CB 3.35Å
268V90.4Very high77.5Confident2 Ų231.1 Ų31.11%0.01217%0.17CC..  trans-106.117.8176.3-59.70000112.7L223 P249 F250 L251 S266 A270 A271 W359 L362L223-V268 HydrophobicContact CD1-CG2 3.91Å; P249-V268 HydrophobicContact CB-CG1 4.02Å; F250-V268 WeakPolarHBondContact O-CG2 3.39Å; F250-V268 PolarHBondContact O-N 3.32Å; L251-V268 HydrophobicContact CB-CG2 4.33Å; S266-V268 PolarHBondContact O-N 3.11Å; V268-A270 VanDerWaalsContact C-N 3.32Å; V268-A270 PolarHBondContact O-N 2.92Å; V268-A271 VanDerWaalsContact O-CB 3.22Å; V268-A271 WeakPolarHBondContact O-CB 3.2Å; V268-A271 PolarHBondContact O-N 3.29Å; V268-W359 HydrophobicContact CG1-CZ3 4.37Å; V268-L362 HydrophobicContact CB-CD2 4.45Å; V268-L362 HydrophobicContact CG1-CB 4.2Å; V268-L362 HydrophobicContact CG1-CD1 4.09Å; V268-L362 HydrophobicContact CG1-CD2 4.24Å; V268-L362 HydrophobicContact CG1-CG 4.42Å
269A82.5Confident77Confident21 Ų2131.6 Ų31.617%0.17417%0.172CC..G310 helixtrans-60.1-35.4-179.600000113.8L251 P252 C267 A271 R272L251-A269 HydrophobicContact CD1-CB 4.38Å; P252-A269 HydrophobicContact CG-CB 4.08Å; C267-A269 WeakPolarHBondContact SG-CB 3.35Å; A269-A271 PolarHBondContact O-N 3.32Å; A269-R272 WeakPolarHBondContact O-CA 3.24Å; A269-R272 WeakPolarHBondContact O-CB 3.44Å; A269-R272 PolarHBondContact O-N 2.99Å
270A67Low76.5Confident55 Ų5534.6 Ų34.646%0.45519%0.187SC..G310 helixtrans-68.3-15.9175.800000112.7V268 R272 V366 N369V268-A270 VanDerWaalsContact C-N 3.32Å; V268-A270 PolarHBondContact O-N 2.92Å; A270-R272 PolarHBondContact O-N 3.37Å; A270-V366 HydrophobicContact CB-CG1 4.17Å; A270-N369 VanDerWaalsContact O-CB 3.26Å; A270-N369 WeakPolarHBondContact O-CB 3.14Å; A270-N369 PolarHBondContact O-ND2 2.85Å
271A55.6Low76.2Confident2 Ų236.9 Ų36.92%0.01720%0.198CC..G310 helixtrans-68.2-20.4166.600000111V268 A269 S273 R274 S275 V366 N369V268-A271 VanDerWaalsContact O-CB 3.22Å; V268-A271 WeakPolarHBondContact O-CB 3.2Å; V268-A271 PolarHBondContact O-N 3.29Å; A269-A271 PolarHBondContact O-N 3.32Å; A271-S273 PolarHBondContact O-N 2.87Å; A271-R274 CarbonylContact O-C 3.32Å; A271-R274 VanDerWaalsContact O-CA 3.28Å; A271-R274 WeakPolarHBondContact O-CA 3.22Å; A271-R274 PolarHBondContact O-N 3.18Å; A271-S275 VanDerWaalsContact C-N 3.32Å; A271-S275 PolarHBondContact O-N 2.91Å; A271-V366 HydrophobicContact CB-CG2 3.92Å; A271-N369 VanDerWaalsContact C-ND2 3.29Å; A271-N369 WeakPolarHBondContact CA-ND2 3.36Å; A271-N369 PolarHBondContact O-ND2 3.13Å
272R50.7Low76Confident62 Ų6235.1 Ų35.123%0.23419%0.186CC..THydrogen-bonded Turntrans-56.4-33-156.8-162.3-178.6-171.5154.89.1120.2L251 P252 A269 A270 R274 S275L251-R272 HydrophobicContact CD1-CB 4.48Å; L251-R272 HydrophobicContact CD1-CG 4.37Å; P252-R272 PolarHBondContact O-NH1 2.82Å; A269-R272 WeakPolarHBondContact O-CA 3.24Å; A269-R272 WeakPolarHBondContact O-CB 3.44Å; A269-R272 PolarHBondContact O-N 2.99Å; A270-R272 PolarHBondContact O-N 3.37Å; R272-R274 PolarHBondContact O-N 3.32Å; R272-R274 VanDerWaalsContact O-N 3.08Å; R272-S275 VanDerWaalsContact CA-CB 3.5Å; R272-S275 WeakPolarHBondContact CA-OG 3.32Å; R272-S275 PolarHBondContact O-N 2.88Å
273S46.3Very low76.1Confident7 Ų736.2 Ų36.25%0.04919%0.192CC..THydrogen-bonded Turntrans-64.2-13.1169.2590000112.8A271 K576 Q578A271-S273 PolarHBondContact O-N 2.87Å; S273-K576 WeakPolarHBondContact OG-CE 3.31Å; S273-K576 PolarHBondContact OG-NZ 3.13Å; S273-Q578 PolarHBondContact O-OE1 3.31Å
274R45.6Very low76.4Confident73 Ų7332.6 Ų32.628%0.27517%0.173SC..THydrogen-bonded Turntrans-138.98.3171.3-68.7-176.4173.6148.8-1.6113.5A271 R272 Q276 R277 E579A271-R274 CarbonylContact O-C 3.32Å; A271-R274 VanDerWaalsContact O-CA 3.28Å; A271-R274 WeakPolarHBondContact O-CA 3.22Å; A271-R274 PolarHBondContact O-N 3.18Å; R272-R274 PolarHBondContact O-N 3.32Å; R272-R274 VanDerWaalsContact O-N 3.08Å; R274-Q276 PolarHBondContact O-N 3.44Å; R274-R277 VanDerWaalsContact O-CB 3.29Å; R274-R277 WeakPolarHBondContact O-CB 3.34Å; R274-R277 PolarHBondContact O-N 2.77Å; R274-E579 WeakPolarHBondContact CD-OE2 3.29Å; R274-E579 HydrophobicContact CG-CB 4.46Å; R274-E579 IonicContact NE-OE2 3.93Å; R274-E579 PolarHBondContact NE-OE2 2.99Å
275S42.8Very low76.5Confident2 Ų231.2 Ų31.21%0.01417%0.166CC..THydrogen-bonded Turntrans-81.54.4172.491.20000110.2A271 R272 R277 A278 L279A271-S275 VanDerWaalsContact C-N 3.32Å; A271-S275 PolarHBondContact O-N 2.91Å; R272-S275 VanDerWaalsContact CA-CB 3.5Å; R272-S275 WeakPolarHBondContact CA-OG 3.32Å; R272-S275 PolarHBondContact O-N 2.88Å; S275-R277 PolarHBondContact O-N 2.95Å; S275-A278 VanDerWaalsContact C-N 3.31Å; S275-A278 CarbonylContact O-C 3.54Å; S275-A278 VanDerWaalsContact O-CA 3.28Å; S275-A278 WeakPolarHBondContact O-CA 3.33Å; S275-A278 WeakPolarHBondContact O-CB 3.44Å; S275-A278 PolarHBondContact O-N 3.26Å; S275-L279 PolarHBondContact O-N 2.97Å
276Q54.8Low76.8Confident20 Ų2026.1 Ų26.19%0.09313%0.133CC..Hα-helixtrans-56.8-26152.8-62.4144.5-18.500109.8R274 L279 L280 L583R274-Q276 PolarHBondContact O-N 3.44Å; Q276-L279 PolarHBondContact O-N 3.36Å; Q276-L280 WeakPolarHBondContact O-CA 3.41Å; Q276-L280 WeakPolarHBondContact O-CB 3.41Å; Q276-L280 PolarHBondContact O-N 3.15Å; Q276-L583 HydrophobicContact CG-CD2 4.17Å
277R64.3Low77Confident104 Ų10425.3 Ų25.339%0.39213%0.128SC..Hα-helixtrans-66.9-36.6164.2-142.9-168-170.3107.7-3.5112.4R274 S275 L280 Q281R274-R277 VanDerWaalsContact O-CB 3.29Å; R274-R277 WeakPolarHBondContact O-CB 3.34Å; R274-R277 PolarHBondContact O-N 2.77Å; S275-R277 PolarHBondContact O-N 2.95Å; R277-L280 PolarHBondContact O-N 3.25Å; R277-Q281 HydrophobicContact CG-CG 4.04Å; R277-Q281 VanDerWaalsContact CG-OE1 3.31Å; R277-Q281 WeakPolarHBondContact O-CB 3.39Å; R277-Q281 VanDerWaalsContact O-CG 3.31Å; R277-Q281 WeakPolarHBondContact O-CG 3.47Å; R277-Q281 PolarHBondContact O-N 3.37Å; R277-Q281 PolarHBondContact O-OE1 2.93Å
278A78.1Confident77.2Confident3 Ų324.6 Ų24.63%0.02512%0.123CC..Hα-helixtrans-63.4-43.4174.500000111.5S275 A282 W358 L362S275-A278 VanDerWaalsContact C-N 3.31Å; S275-A278 CarbonylContact O-C 3.54Å; S275-A278 VanDerWaalsContact O-CA 3.28Å; S275-A278 WeakPolarHBondContact O-CA 3.33Å; S275-A278 WeakPolarHBondContact O-CB 3.44Å; S275-A278 PolarHBondContact O-N 3.26Å; A278-A282 WeakPolarHBondContact O-CB 3.34Å; A278-A282 PolarHBondContact O-N 3.29Å; A278-W358 HydrophobicContact CB-CH2 4.14Å; A278-W358 HydrophobicContact CB-CZ2 4.5Å; A278-W358 WeakPolarHBondContact O-CH2 3.29Å; A278-L362 HydrophobicContact CB-CD2 3.76Å
279L85.6Confident77.4Confident10 Ų1025 Ų255%0.05213%0.128CC..Hα-helixtrans-68.4-38.4174-62175.1000112.5L223 I225 L251 S275 Q276 R303 F304 N305L223-L279 HydrophobicContact CD2-CD2 3.76Å; I225-L279 HydrophobicContact CD1-CD2 3.75Å; L251-L279 HydrophobicContact CD2-CD2 4.01Å; L251-L279 HydrophobicContact CD2-CG 4.41Å; S275-L279 PolarHBondContact O-N 2.97Å; Q276-L279 PolarHBondContact O-N 3.36Å; L279-R303 CarbonylContact C-O 3.57Å; L279-R303 WeakPolarHBondContact CB-O 3.41Å; L279-F304 HydrophobicContact CB-CD1 4.5Å; L279-F304 HydrophobicContact CB-CD2 4.47Å; L279-F304 HydrophobicContact CB-CE1 4.42Å; L279-F304 HydrophobicContact CB-CE2 4.33Å; L279-F304 HydrophobicContact CB-CZ 4.34Å; L279-F304 HydrophobicContact CD1-CE2 3.94Å; L279-F304 HydrophobicContact CD1-CZ 4.02Å; L279-F304 HydrophobicContact CD2-CE1 3.92Å; L279-F304 HydrophobicContact CD2-CE2 4.43Å; L279-F304 HydrophobicContact CD2-CZ 3.75Å; L279-F304 HydrophobicContact CG-CE2 4.47Å; L279-F304 HydrophobicContact CG-CZ 4.25Å; L279-N305 PolarHBondContact O-N 2.66Å
280L87.4Confident78Confident66 Ų6624.4 Ų24.435%0.34612%0.123SC..Hα-helixtrans-74.2-32.1-179.5179.964.4000113.2Q276 R277 R303 N305Q276-L280 WeakPolarHBondContact O-CA 3.41Å; Q276-L280 WeakPolarHBondContact O-CB 3.41Å; Q276-L280 PolarHBondContact O-N 3.15Å; R277-L280 PolarHBondContact O-N 3.25Å; L280-R303 PolarHBondContact N-O 3.03Å; L280-N305 WeakPolarHBondContact O-CA 3.09Å; L280-N305 WeakPolarHBondContact O-CB 3.09Å
281Q89.4Confident79.4Confident50 Ų5023.6 Ų23.623%0.23411%0.108CC..Hα-helixtrans-92.7-18.6179.1-70.9173.9-55.800112.2T221 R277 D283 W358 E361T221-Q281 WeakPolarHBondContact CB-O 3.5Å; T221-Q281 PolarHBondContact OG1-O 3.01Å; R277-Q281 HydrophobicContact CG-CG 4.04Å; R277-Q281 VanDerWaalsContact CG-OE1 3.31Å; R277-Q281 WeakPolarHBondContact O-CB 3.39Å; R277-Q281 VanDerWaalsContact O-CG 3.31Å; R277-Q281 WeakPolarHBondContact O-CG 3.47Å; R277-Q281 PolarHBondContact O-N 3.37Å; R277-Q281 PolarHBondContact O-OE1 2.93Å; Q281-D283 PolarHBondContact O-N 3.45Å; Q281-W358 HydrophobicContact CB-CH2 3.84Å; Q281-W358 HydrophobicContact CB-CZ3 3.6Å; Q281-W358 HydrophobicContact CG-CZ3 4.47Å; Q281-E361 PolarHBondContact NE2-OE2 2.71Å; Q281-E361 PolarHBondContact OE1-OE2 3.48Å
282A93.6Very high81.2Confident0 Ų023.8 Ų23.80%011%0.109CC..  trans-61.2126.8177.500000110.8T221 L223 A278 V285 N305T221-A282 VanDerWaalsContact O-CA 3.25Å; T221-A282 WeakPolarHBondContact O-CA 3.21Å; L223-A282 HydrophobicContact CB-CB 4.08Å; A278-A282 WeakPolarHBondContact O-CB 3.34Å; A278-A282 PolarHBondContact O-N 3.29Å; A282-V285 HydrophobicContact CB-CG2 3.92Å; A282-N305 WeakPolarHBondContact O-CB 3.5Å
283D96.3Very high83.1Confident37 Ų3721.9 Ų21.920%0.19810%0.103CC..SBendtrans-92.7-25.4174.865.3-15.3000112K220 T221 Q281 K309K220-D283 PolarHBondContact N-OD1 2.95Å; K220-D283 PolarHBondContact N-OD2 3.21Å; T221-D283 WeakPolarHBondContact CA-OD1 3Å; T221-D283 PolarHBondContact N-OD1 2.94Å; T221-D283 PolarHBondContact O-N 3.48Å; T221-D283 PolarHBondContact OG1-N 2.89Å; T221-D283 PolarHBondContact OG1-OD1 3.09Å; T221-D283 VanDerWaalsContact OG1-OD1 3.14Å; Q281-D283 PolarHBondContact O-N 3.45Å; D283-K309 PolarHBondContact O-N 2.83Å
284V98.2Very high85.1Confident3 Ų326.7 Ų26.72%0.01812%0.12CC..EExtended strand (participates in β ladder)trans-133.5130.4172.7-177.80000110.2V215 L216 A219 P222 L223 K309 I311V215-V284 HydrophobicContact CG1-CG1 3.93Å; V215-V284 HydrophobicContact CG1-CG2 4.03Å; L216-V284 HydrophobicContact CD2-CG1 3.99Å; A219-V284 HydrophobicContact CB-CB 3.8Å; A219-V284 HydrophobicContact CB-CG2 3.53Å; P222-V284 WeakPolarHBondContact CA-O 3.23Å; L223-V284 PolarHBondContact N-O 3.48Å; V284-K309 WeakPolarHBondContact CA-O 3.3Å; V284-K309 HydrophobicContact CG2-CB 4.25Å; V284-K309 HydrophobicContact CG2-CD 4.46Å; V284-I311 HydrophobicContact CG1-CD1 3.89Å; V284-I311 HydrophobicContact CG1-CG1 4.35Å
285V97.7Very high87.1Confident0 Ų025 Ų250%012%0.116CC..EExtended strand (participates in β ladder)trans-118.9122.5173.2172.50000109.9L223 I225 A282 V308 K309 I310 I311L223-V285 HydrophobicContact CB-CG2 4.46Å; L223-V285 CarbonylContact O-C 3.3Å; L223-V285 VanDerWaalsContact O-CA 3.29Å; L223-V285 WeakPolarHBondContact O-CA 3.24Å; I225-V285 HydrophobicContact CB-CG1 4.44Å; I225-V285 HydrophobicContact CD1-CG1 3.57Å; I225-V285 HydrophobicContact CG1-CG1 3.85Å; A282-V285 HydrophobicContact CB-CG2 3.92Å; V285-V308 HydrophobicContact CB-CG2 4.29Å; V285-V308 HydrophobicContact CG2-CG2 3.73Å; V285-K309 PolarHBondContact N-O 2.96Å; V285-I310 HydrophobicContact CB-CD1 3.8Å; V285-I310 HydrophobicContact CG1-CD1 4.35Å; V285-I310 HydrophobicContact CG2-CD1 4.38Å; V285-I311 PolarHBondContact O-N 2.92Å
286L98.5Very high89.4Confident0 Ų025.1 Ų25.10%012%0.116CC..EExtended strand (participates in β ladder)trans-92.2106.1168177.462.8000109.2L216 L223 V224 I225 F242 L288 I311 V313 I341L216-L286 HydrophobicContact CD1-CD2 4.31Å; L216-L286 HydrophobicContact CD2-CB 4.41Å; L223-L286 PolarHBondContact O-N 3Å; V224-L286 CarbonylContact C-O 3.03Å; V224-L286 WeakPolarHBondContact CA-O 3.35Å; V224-L286 HydrophobicContact CG1-CD2 4.47Å; V224-L286 HydrophobicContact CG2-CB 4.39Å; V224-L286 HydrophobicContact CG2-CD2 4.31Å; I225-L286 PolarHBondContact N-O 3.41Å; F242-L286 HydrophobicContact CE1-CD2 3.73Å; F242-L286 HydrophobicContact CZ-CD2 3.71Å; L286-L288 HydrophobicContact CD1-CD2 3.76Å; L286-L288 HydrophobicContact CD1-CG 4.47Å; L286-L288 HydrophobicContact CD2-CD1 4.06Å; L286-L288 HydrophobicContact CD2-CD2 4.11Å; L286-L288 HydrophobicContact CD2-CG 4.31Å; L286-L288 HydrophobicContact CG-CD1 4.19Å; L286-L288 HydrophobicContact CG-CD2 3.71Å; L286-L288 HydrophobicContact CG-CG 3.9Å; L286-I311 CarbonylContact C-O 3.56Å; L286-I311 HydrophobicContact CD1-CB 3.81Å; L286-I311 HydrophobicContact CD1-CG2 3.43Å; L286-I311 VanDerWaalsContact CD1-CG2 3.43Å; L286-V313 HydrophobicContact CD1-CG2 4.35Å; L286-I341 HydrophobicContact CD1-CD1 4.47Å
287L98.1Very high91Very high0 Ų026.5 Ų26.50%012%0.123CC..EExtended strand (participates in β ladder)trans-96.1113-177.3-171.469.7000110.2I225 A290 L292 L296 I310 I311 Q312 V313I225-L287 HydrophobicContact CB-CD1 3.78Å; I225-L287 HydrophobicContact CD1-CD1 4.38Å; I225-L287 HydrophobicContact CG2-CD1 3.65Å; L287-A290 HydrophobicContact CD1-CB 3.49Å; L287-A290 VanDerWaalsContact CD1-CB 3.49Å; L287-A290 VanDerWaalsContact CD2-O 3.23Å; L287-A290 WeakPolarHBondContact CD2-O 3.4Å; L287-A290 HydrophobicContact CG-CB 3.99Å; L287-A290 WeakPolarHBondContact CG-O 3.44Å; L287-L292 HydrophobicContact CD1-CD2 4.5Å; L287-L292 HydrophobicContact CD2-CD2 3.96Å; L287-L292 HydrophobicContact CD2-CG 3.75Å; L287-L296 HydrophobicContact CD1-CD1 3.96Å; L287-I310 HydrophobicContact CB-CG2 4.48Å; L287-I311 PolarHBondContact N-O 3.42Å; L287-Q312 HydrophobicContact CD2-CG 4.23Å; L287-V313 PolarHBondContact O-N 3.45Å
288L98.1Very high92.4Very high0 Ų025.7 Ų25.70%012%0.122CC..EExtended strand (participates in β ladder)trans-114.2105.5-172.4-58.3178.1000110.9V224 I225 G227 L239 L286 A290 V313 V334 V338V224-L288 HydrophobicContact CG1-CD1 3.61Å; V224-L288 HydrophobicContact CG1-CG 4.3Å; I225-L288 PolarHBondContact O-N 3.43Å; G227-L288 WeakPolarHBondContact CA-O 3.41Å; G227-L288 PolarHBondContact N-O 3.14Å; L239-L288 HydrophobicContact CD2-CD1 3.41Å; L239-L288 VanDerWaalsContact CD2-CD1 3.41Å; L286-L288 HydrophobicContact CD1-CD2 3.76Å; L286-L288 HydrophobicContact CD1-CG 4.47Å; L286-L288 HydrophobicContact CD2-CD1 4.06Å; L286-L288 HydrophobicContact CD2-CD2 4.11Å; L286-L288 HydrophobicContact CD2-CG 4.31Å; L286-L288 HydrophobicContact CG-CD1 4.19Å; L286-L288 HydrophobicContact CG-CD2 3.71Å; L286-L288 HydrophobicContact CG-CG 3.9Å; L288-A290 PolarHBondContact O-N 3.08Å; L288-V313 HydrophobicContact CD2-CB 3.86Å; L288-V313 HydrophobicContact CD2-CG2 3.45Å; L288-V313 VanDerWaalsContact CD2-CG2 3.45Å; L288-V334 HydrophobicContact CB-CG1 4.04Å; L288-V338 HydrophobicContact CD1-CG2 4.03Å; L288-V338 HydrophobicContact CD2-CG2 4Å
289G95.4Very high93Very high10 Ų1025.7 Ų25.710%0.10312%0.122CC..SBendtrans62.230.717700000114G227 G229 V313G227-G289 CarbonylContact C-O 3.58Å; G227-G289 VanDerWaalsContact CA-O 3.29Å; G227-G289 WeakPolarHBondContact CA-O 3.33Å; G229-G289 VanDerWaalsContact CA-O 3.32Å; G229-G289 WeakPolarHBondContact CA-O 3.29Å; G229-G289 PolarHBondContact N-O 3.28Å; G289-V313 PolarHBondContact N-O 3.03Å; G289-V313 VanDerWaalsContact N-O 3.12Å
290A95.5Very high93.3Very high9 Ų929 Ų297%0.07414%0.14CC..  trans-129.5154.1178.700000110.1I225 T253 L287 L288I225-A290 HydrophobicContact CG2-CB 4.41Å; T253-A290 HydrophobicContact CG2-CB 4Å; L287-A290 HydrophobicContact CD1-CB 3.49Å; L287-A290 VanDerWaalsContact CD1-CB 3.49Å; L287-A290 VanDerWaalsContact CD2-O 3.23Å; L287-A290 WeakPolarHBondContact CD2-O 3.4Å; L287-A290 HydrophobicContact CG-CB 3.99Å; L287-A290 WeakPolarHBondContact CG-O 3.44Å; L288-A290 PolarHBondContact O-N 3.08Å
291R94.4Very high93.5Very high38 Ų3829.1 Ų29.114%0.14314%0.144CC..  trans-108.5139.2175.7-67.3170.7-69.2-173-3.7109.8M106 N293 L296 E319 T431M106-R291 PolarHBondContact O-NH1 2.83Å; M106-R291 PolarHBondContact O-NH2 2.68Å; R291-N293 HydrophobicContact CB-CB 4.45Å; R291-N293 PolarHBondContact O-N 3.27Å; R291-L296 WeakPolarHBondContact O-CD1 3.41Å; R291-E319 WeakPolarHBondContact CD-OE1 3.32Å; R291-E319 HydrophobicContact CG-CG 4.19Å; R291-E319 WeakPolarHBondContact CG-OE2 3.47Å; R291-T431 PolarHBondContact NH2-OG1 2.89Å
292L93.8Very high93.4Very high6 Ų630.3 Ų30.33%0.03116%0.157CC..  trans-72.368.6168.3-65177000109.4L287 L296 F298 F304 I310 N323 V324L287-L292 HydrophobicContact CD1-CD2 4.5Å; L287-L292 HydrophobicContact CD2-CD2 3.96Å; L287-L292 HydrophobicContact CD2-CG 3.75Å; L292-L296 HydrophobicContact CD2-CB 4.34Å; L292-L296 HydrophobicContact CD2-CD1 4.23Å; L292-F298 WeakPolarHBondContact O-CA 3.35Å; L292-F304 HydrophobicContact CD2-CZ 4.44Å; L292-I310 HydrophobicContact CD1-CG1 4.29Å; L292-I310 HydrophobicContact CD1-CG2 4.38Å; L292-N323 HydrophobicContact CB-CB 4.35Å; L292-N323 PolarHBondContact O-ND2 2.99Å; L292-V324 HydrophobicContact CD1-CB 3.87Å; L292-V324 HydrophobicContact CD1-CG2 4.1Å
293N91.9Very high92.9Very high22 Ų2231.9 Ų31.912%0.11816%0.163CC..SBendtrans-101.7-167.5178.164.519.3000110.7R291 M295 L296 H297 F298 T431R291-N293 HydrophobicContact CB-CB 4.45Å; R291-N293 PolarHBondContact O-N 3.27Å; N293-M295 WeakPolarHBondContact ND2-CE 3.26Å; N293-M295 PolarHBondContact O-N 3.31Å; N293-M295 VanDerWaalsContact O-N 3.14Å; N293-M295 WeakPolarHBondContact OD1-CB 3.39Å; N293-M295 PolarHBondContact OD1-N 3.3Å; N293-M295 VanDerWaalsContact OD1-N 3.1Å; N293-L296 CarbonylContact O-C 3.46Å; N293-L296 WeakPolarHBondContact O-CA 3.44Å; N293-L296 PolarHBondContact O-N 3.43Å; N293-H297 PolarHBondContact O-N 2.95Å; N293-F298 PolarHBondContact O-N 2.84Å; N293-T431 WeakPolarHBondContact ND2-CG2 3.48Å
294W87.8Confident92.6Very high108 Ų10830.1 Ų30.141%0.40915%0.153SC..G310 helixtrans-53.6-34.3-17969.8-95.3000113.7L296 H297 F298 T431W294-L296 PolarHBondContact O-N 3.06Å; W294-H297 PolarHBondContact O-N 3.34Å; W294-F298 HydrophobicContact CB-CE1 4.32Å; W294-F298 HydrophobicContact CB-CZ 3.88Å; W294-T431 PolarHBondContact NE1-O 2.66Å
295M86.9Confident92.3Very high36 Ų3631.8 Ų31.818%0.17716%0.162CC..G310 helixtrans-66.6-26.9177-66.6-178.1-76.700112.9P254 N293P254-M295 HydrophobicContact CG-SD 4.19Å; N293-M295 WeakPolarHBondContact ND2-CE 3.26Å; N293-M295 PolarHBondContact O-N 3.31Å; N293-M295 VanDerWaalsContact O-N 3.14Å; N293-M295 WeakPolarHBondContact OD1-CB 3.39Å; N293-M295 PolarHBondContact OD1-N 3.3Å; N293-M295 VanDerWaalsContact OD1-N 3.1Å
296L90.8Very high92Very high5 Ų536 Ų363%0.02619%0.189CC..G310 helixtrans-109.221.6174.2-63.7-176.4000111.2I225 T253 L287 R291 L292 N293 W294 F298 G299 F304I225-L296 HydrophobicContact CG2-CD1 4.13Å; T253-L296 HydrophobicContact CG2-CD1 4.41Å; L287-L296 HydrophobicContact CD1-CD1 3.96Å; R291-L296 WeakPolarHBondContact O-CD1 3.41Å; L292-L296 HydrophobicContact CD2-CB 4.34Å; L292-L296 HydrophobicContact CD2-CD1 4.23Å; N293-L296 CarbonylContact O-C 3.46Å; N293-L296 WeakPolarHBondContact O-CA 3.44Å; N293-L296 PolarHBondContact O-N 3.43Å; W294-L296 PolarHBondContact O-N 3.06Å; L296-F298 PolarHBondContact O-N 3.35Å; L296-G299 PolarHBondContact O-N 3.17Å; L296-F304 HydrophobicContact CB-CZ 4.42Å; L296-F304 WeakPolarHBondContact O-CE2 3.29Å
297H89.6Confident91.8Very high50 Ų5043.6 Ų43.623%0.23122%0.224CC..G310 helixtrans47.738.3176.1-62.5-87.6000113.5N293 W294 G299 L300 R303N293-H297 PolarHBondContact O-N 2.95Å; W294-H297 PolarHBondContact O-N 3.34Å; H297-G299 PolarHBondContact O-N 3.15Å; H297-L300 PolarHBondContact O-N 3.44Å; H297-R303 HydrophobicContact CB-CB 3.79Å; H297-R303 HydrophobicContact CB-CG 3.75Å; H297-R303 VanDerWaalsContact CD2-CD 3.42Å; H297-R303 WeakPolarHBondContact CD2-CD 3.42Å; H297-R303 VanDerWaalsContact CD2-CZ 3.42Å; H297-R303 PolarHBondContact CD2-NE 3.3Å; H297-R303 PolarHBondContact CD2-NH1 2.92Å; H297-R303 VanDerWaalsContact CD2-NH1 3.3Å; H297-R303 PolarHBondContact CE1-NE 2.83Å; H297-R303 PolarHBondContact CE1-NH2 3.19Å; H297-R303 VanDerWaalsContact CE1-NH2 3.3Å; H297-R303 VanDerWaalsContact CG-CG 3.49Å; H297-R303 PolarHBondContact NE2-NE 2.9Å; H297-R303 PolarHBondContact NE2-NH1 2.87Å; H297-R303 PolarHBondContact NE2-NH2 3.01Å; H297-R303 VanDerWaalsContact NE2-NH2 3.19Å
298F92.6Very high91.7Very high86 Ų8644.5 Ų44.538%0.37723%0.23SC..G310 helixtrans59.611.6179.2-45.1-76.6000114.6L292 N293 W294 L296 L300 N323 V324L292-F298 WeakPolarHBondContact O-CA 3.35Å; N293-F298 PolarHBondContact O-N 2.84Å; W294-F298 HydrophobicContact CB-CE1 4.32Å; W294-F298 HydrophobicContact CB-CZ 3.88Å; L296-F298 PolarHBondContact O-N 3.35Å; F298-L300 HydrophobicContact CB-CD1 3.9Å; F298-L300 HydrophobicContact CB-CG 4.01Å; F298-L300 PolarHBondContact O-N 3.1Å; F298-N323 HydrophobicContact CB-CB 4.19Å; F298-N323 WeakPolarHBondContact O-CB 3.3Å; F298-V324 WeakPolarHBondContact O-CG2 3.45Å
299G91.6Very high91.6Very high3 Ų349.5 Ų49.53%0.03125%0.252CS..G310 helixtrans70.416.8-171.700000114.1L296 H297 F304 V324L296-G299 PolarHBondContact O-N 3.17Å; H297-G299 PolarHBondContact O-N 3.15Å; G299-F304 VanDerWaalsContact O-CB 3.3Å; G299-F304 WeakPolarHBondContact O-CB 3.46Å; G299-V324 WeakPolarHBondContact O-CG2 3.29Å
300L91.9Very high91.7Very high79 Ų7949 Ų4941%0.41425%0.247SC..  trans-104.2157.7-170.3-62.7176.8000113.5H297 F298 R303 F304 V324H297-L300 PolarHBondContact O-N 3.44Å; F298-L300 HydrophobicContact CB-CD1 3.9Å; F298-L300 HydrophobicContact CB-CG 4.01Å; F298-L300 PolarHBondContact O-N 3.1Å; L300-R303 PolarHBondContact O-N 3.15Å; L300-F304 PolarHBondContact O-N 3.24Å; L300-F304 VanDerWaalsContact O-N 3.09Å; L300-V324 HydrophobicContact CD2-CG2 3.92Å
301P90.6Very high91.9Very high69 Ų6948.6 Ų48.645%0.44824%0.243SC..THydrogen-bonded Turntrans-59.8153.3167.1-22.935.4000112R303 P306P301-R303 VanDerWaalsContact C-N 3.29Å; P301-P306 HydrophobicContact CB-CG 4.23Å; P301-P306 HydrophobicContact CG-CB 3.88Å; P301-P306 HydrophobicContact CG-CG 3.7Å
302P87.1Confident92Very high76 Ų7647 Ų4749%0.49424%0.237SC..THydrogen-bonded Turncis-85.39.63.135.7-37.6000113.6W582P302-W582 HydrophobicContact CG-CG 4.37Å
303R83.8Confident92.2Very high32 Ų3246.7 Ų46.712%0.12124%0.236CC..THydrogen-bonded Turntrans-84.8-34.1-176.7-77.5-102.5-171.9158.3-1.4113.1L279 L280 H297 L300 P301 L583L279-R303 CarbonylContact C-O 3.57Å; L279-R303 WeakPolarHBondContact CB-O 3.41Å; L280-R303 PolarHBondContact N-O 3.03Å; H297-R303 HydrophobicContact CB-CB 3.79Å; H297-R303 HydrophobicContact CB-CG 3.75Å; H297-R303 VanDerWaalsContact CD2-CD 3.42Å; H297-R303 WeakPolarHBondContact CD2-CD 3.42Å; H297-R303 VanDerWaalsContact CD2-CZ 3.42Å; H297-R303 PolarHBondContact CD2-NE 3.3Å; H297-R303 PolarHBondContact CD2-NH1 2.92Å; H297-R303 VanDerWaalsContact CD2-NH1 3.3Å; H297-R303 PolarHBondContact CE1-NE 2.83Å; H297-R303 PolarHBondContact CE1-NH2 3.19Å; H297-R303 VanDerWaalsContact CE1-NH2 3.3Å; H297-R303 VanDerWaalsContact CG-CG 3.49Å; H297-R303 PolarHBondContact NE2-NE 2.9Å; H297-R303 PolarHBondContact NE2-NH1 2.87Å; H297-R303 PolarHBondContact NE2-NH2 3.01Å; H297-R303 VanDerWaalsContact NE2-NH2 3.19Å; L300-R303 PolarHBondContact O-N 3.15Å; P301-R303 VanDerWaalsContact C-N 3.29Å; R303-L583 HydrophobicContact CG-CD2 4.3Å; R303-L583 VanDerWaalsContact NH2-CA 3.35Å; R303-L583 PolarHBondContact NH2-O 2.67Å
304F90.8Very high92.4Very high0 Ų046.4 Ų46.40%023%0.234CC..SBendtrans-109.9155.7176.7-77.8-108.1000110.5L279 L292 L296 G299 L300 V308L279-F304 HydrophobicContact CB-CD1 4.5Å; L279-F304 HydrophobicContact CB-CD2 4.47Å; L279-F304 HydrophobicContact CB-CE1 4.42Å; L279-F304 HydrophobicContact CB-CE2 4.33Å; L279-F304 HydrophobicContact CB-CZ 4.34Å; L279-F304 HydrophobicContact CD1-CE2 3.94Å; L279-F304 HydrophobicContact CD1-CZ 4.02Å; L279-F304 HydrophobicContact CD2-CE1 3.92Å; L279-F304 HydrophobicContact CD2-CE2 4.43Å; L279-F304 HydrophobicContact CD2-CZ 3.75Å; L279-F304 HydrophobicContact CG-CE2 4.47Å; L279-F304 HydrophobicContact CG-CZ 4.25Å; L292-F304 HydrophobicContact CD2-CZ 4.44Å; L296-F304 HydrophobicContact CB-CZ 4.42Å; L296-F304 WeakPolarHBondContact O-CE2 3.29Å; G299-F304 VanDerWaalsContact O-CB 3.3Å; G299-F304 WeakPolarHBondContact O-CB 3.46Å; L300-F304 PolarHBondContact O-N 3.24Å; L300-F304 VanDerWaalsContact O-N 3.09Å; F304-V308 HydrophobicContact CB-CG1 4.41Å; F304-V308 HydrophobicContact CD1-CG1 4.35Å
305N91.1Very high92.7Very high39 Ų3944.4 Ų44.421%0.20923%0.231CC..  trans-57.3127.3167.9-170.9-31.8000109.1L279 L280 A282 H307 V308L279-N305 PolarHBondContact O-N 2.66Å; L280-N305 WeakPolarHBondContact O-CA 3.09Å; L280-N305 WeakPolarHBondContact O-CB 3.09Å; A282-N305 WeakPolarHBondContact O-CB 3.5Å; N305-H307 PolarHBondContact O-N 3.3Å; N305-H307 PolarHBondContact OD1-N 3.37Å; N305-V308 HydrophobicContact CB-CB 4.07Å; N305-V308 WeakPolarHBondContact O-CB 3.18Å; N305-V308 WeakPolarHBondContact O-CG1 3.21Å; N305-V308 PolarHBondContact O-N 3.4Å
306P91.9Very high93Very high87 Ų8743.5 Ų43.557%0.56523%0.228SC*.THydrogen-bonded Turntrans-55.4-21.3175.7-2431.7000114.6P301P301-P306 HydrophobicContact CB-CG 4.23Å; P301-P306 HydrophobicContact CG-CB 3.88Å; P301-P306 HydrophobicContact CG-CG 3.7Å
307H93.6Very high93.1Very high160 Ų16045.6 Ų45.674%0.74125%0.247SC*.THydrogen-bonded Turntrans-111.816.5-179.6-55.3-55.3000113.3N305 K309N305-H307 PolarHBondContact O-N 3.3Å; N305-H307 PolarHBondContact OD1-N 3.37Å; H307-K309 PolarHBondContact O-N 3.21Å
308V95.4Very high93.2Very high19 Ų1950.2 Ų50.212%0.11527%0.268CS..PPolyproline II helixtrans-57.8135.2177.369.10000110.7V285 F304 N305 I310V285-V308 HydrophobicContact CB-CG2 4.29Å; V285-V308 HydrophobicContact CG2-CG2 3.73Å; F304-V308 HydrophobicContact CB-CG1 4.41Å; F304-V308 HydrophobicContact CD1-CG1 4.35Å; N305-V308 HydrophobicContact CB-CB 4.07Å; N305-V308 WeakPolarHBondContact O-CB 3.18Å; N305-V308 WeakPolarHBondContact O-CG1 3.21Å; N305-V308 PolarHBondContact O-N 3.4Å; V308-I310 HydrophobicContact CB-CD1 4.47Å; V308-I310 HydrophobicContact CG1-CD1 3.79Å; V308-I310 HydrophobicContact CG1-CG1 4.3Å; V308-I310 HydrophobicContact CG2-CD1 3.87Å
309K97.4Very high93.2Very high106 Ų10647.1 Ų47.146%0.46126%0.255SS..EExtended strand (participates in β ladder)trans-94.7119.6169.9-63.8172.8-175171.60108.9V215 D283 V284 V285 H307 R327V215-K309 HydrophobicContact CG1-CD 4.34Å; D283-K309 PolarHBondContact O-N 2.83Å; V284-K309 WeakPolarHBondContact CA-O 3.3Å; V284-K309 HydrophobicContact CG2-CB 4.25Å; V284-K309 HydrophobicContact CG2-CD 4.46Å; V285-K309 PolarHBondContact N-O 2.96Å; H307-K309 PolarHBondContact O-N 3.21Å; K309-R327 HydrophobicContact CB-CB 3.98Å; K309-R327 HydrophobicContact CB-CG 4.27Å; K309-R327 HydrophobicContact CD-CG 4.45Å; K309-R327 HydrophobicContact CG-CB 4.48Å; K309-R327 HydrophobicContact CG-CG 4.47Å
310I97.8Very high93.2Very high0 Ų049.2 Ų49.20%027%0.265CS..EExtended strand (participates in β ladder)trans-94.4124.6177.9-53.8-57.5000109.8V285 L287 L292 V308 Q312 V324 A326 R327 V328V285-I310 HydrophobicContact CB-CD1 3.8Å; V285-I310 HydrophobicContact CG1-CD1 4.35Å; V285-I310 HydrophobicContact CG2-CD1 4.38Å; L287-I310 HydrophobicContact CB-CG2 4.48Å; L292-I310 HydrophobicContact CD1-CG1 4.29Å; L292-I310 HydrophobicContact CD1-CG2 4.38Å; V308-I310 HydrophobicContact CB-CD1 4.47Å; V308-I310 HydrophobicContact CG1-CD1 3.79Å; V308-I310 HydrophobicContact CG1-CG1 4.3Å; V308-I310 HydrophobicContact CG2-CD1 3.87Å; I310-Q312 HydrophobicContact CG2-CB 4.19Å; I310-V324 HydrophobicContact CG1-CB 4.37Å; I310-V324 HydrophobicContact CG1-CG1 3.82Å; I310-A326 CarbonylContact O-C 3.48Å; I310-A326 WeakPolarHBondContact O-CA 3.26Å; I310-R327 PolarHBondContact O-N 3.02Å; I310-V328 PolarHBondContact O-N 3.26Å
311I98.3Very high92.8Very high0 Ų047.2 Ų47.20%026%0.263CS..EExtended strand (participates in β ladder)trans-100.2116.8162.6-58.2167.6000106.1A212 V215 L216 V284 V285 L286 L287 V328 L330A212-I311 HydrophobicContact CB-CD1 4.27Å; A212-I311 HydrophobicContact CB-CG2 3.87Å; A212-I311 WeakPolarHBondContact O-CD1 3.4Å; V215-I311 HydrophobicContact CB-CD1 4.05Å; V215-I311 HydrophobicContact CG1-CD1 3.97Å; V215-I311 HydrophobicContact CG1-CG1 4.29Å; L216-I311 HydrophobicContact CD1-CD1 4.38Å; L216-I311 HydrophobicContact CD2-CD1 4.1Å; L216-I311 HydrophobicContact CG-CD1 3.76Å; V284-I311 HydrophobicContact CG1-CD1 3.89Å; V284-I311 HydrophobicContact CG1-CG1 4.35Å; V285-I311 PolarHBondContact O-N 2.92Å; L286-I311 CarbonylContact C-O 3.56Å; L286-I311 HydrophobicContact CD1-CB 3.81Å; L286-I311 HydrophobicContact CD1-CG2 3.43Å; L286-I311 VanDerWaalsContact CD1-CG2 3.43Å; L287-I311 PolarHBondContact N-O 3.42Å; I311-V328 WeakPolarHBondContact CA-O 3.41Å; I311-V328 HydrophobicContact CG1-CB 4.3Å; I311-V328 HydrophobicContact CG1-CG2 4.43Å; I311-V328 HydrophobicContact CG2-CB 4.18Å; I311-L330 HydrophobicContact CG2-CD1 3.86Å
312Q97.9Very high92.8Very high4 Ų448.7 Ų48.72%0.01927%0.267CS..EExtended strand (participates in β ladder)trans-115.7125.7-172.2-176.8171.7-7.200111.3L287 I310 E319 A326 V328 L330L287-Q312 HydrophobicContact CD2-CG 4.23Å; I310-Q312 HydrophobicContact CG2-CB 4.19Å; Q312-E319 PolarHBondContact NE2-O 3.4Å; Q312-A326 HydrophobicContact CB-CB 4.21Å; Q312-V328 PolarHBondContact N-O 3.39Å; Q312-L330 PolarHBondContact O-N 2.95Å
313V97.8Very high93Very high0 Ų048.1 Ų48.10%026%0.26CS..EExtended strand (participates in β ladder)trans-112.5114.9172.6-173.40000109L286 L287 L288 G289 L330 V334 V337L286-V313 HydrophobicContact CD1-CG2 4.35Å; L287-V313 PolarHBondContact O-N 3.45Å; L288-V313 HydrophobicContact CD2-CB 3.86Å; L288-V313 HydrophobicContact CD2-CG2 3.45Å; L288-V313 VanDerWaalsContact CD2-CG2 3.45Å; G289-V313 PolarHBondContact N-O 3.03Å; G289-V313 VanDerWaalsContact N-O 3.12Å; V313-L330 WeakPolarHBondContact CA-O 3.47Å; V313-L330 HydrophobicContact CB-CB 4.47Å; V313-L330 HydrophobicContact CG2-CB 3.93Å; V313-L330 HydrophobicContact CG2-CD1 3.67Å; V313-L330 HydrophobicContact CG2-CG 4.42Å; V313-V334 HydrophobicContact CG1-CG2 4.19Å; V313-V337 HydrophobicContact CB-CG1 4.45Å; V313-V337 HydrophobicContact CG1-CB 3.77Å; V313-V337 HydrophobicContact CG1-CG1 3.72Å; V313-V337 HydrophobicContact CG1-CG2 4.12Å; V313-V337 HydrophobicContact CG2-CG1 3.81Å
314D96Very high93.5Very high16 Ų1647.8 Ų47.89%0.08626%0.261CS..EExtended strand (participates in β ladder)trans-147.4154.7177.6-153.9-67.9000110.6R168 C316 L330 G332R168-D314 IonicContact NH2-OD1 2.74Å; D314-C316 WeakPolarHBondContact OD1-CB 3.42Å; D314-C316 PolarHBondContact OD1-N 2.87Å; D314-L330 PolarHBondContact N-O 3.37Å; D314-G332 CarbonylContact C-O 3.57Å; D314-G332 PolarHBondContact O-N 3.26Å; D314-G332 VanDerWaalsContact O-N 3.15Å
315L93.8Very high93.6Very high65 Ų6556.6 Ų56.634%0.3430%0.299SS..SBendtrans-79.8-19.8172.9-82100.5000112.5L331L315-L331 WeakPolarHBondContact O-CD1 3.28Å
316C93.8Very high93.7Very high17 Ų1755.6 Ų55.612%0.11530%0.297CS..  trans-102.9117.8-176.2-158.70000110.1R168 D314 E318 E319R168-C316 VanDerWaalsContact CZ-CB 3.44Å; D314-C316 WeakPolarHBondContact OD1-CB 3.42Å; D314-C316 PolarHBondContact OD1-N 2.87Å; C316-E318 PolarHBondContact O-N 2.8Å; C316-E318 PolarHBondContact SG-OE2 3.27Å; C316-E319 HydrophobicContact CB-CG 4.1Å; C316-E319 PolarHBondContact O-N 3Å
317A92.8Very high94Very high50 Ų5058.1 Ų58.141%0.41330%0.295SS..G310 helixtrans-62.2-34.8-178.700000111.9E319 M320 L331A317-E319 PolarHBondContact O-N 2.91Å; A317-M320 VanDerWaalsContact O-CB 3.26Å; A317-M320 WeakPolarHBondContact O-CB 3.23Å; A317-M320 WeakPolarHBondContact O-CG 3.24Å; A317-M320 PolarHBondContact O-N 2.79Å; A317-L331 HydrophobicContact CB-CD1 4.15Å; A317-L331 HydrophobicContact CB-CD2 4.34Å
318E92.3Very high94.2Very high146 Ų14650.8 Ų50.868%0.68226%0.261SS*.G310 helixtrans-67.1-16.6-177.4-61.678.8-176.600113.5C316 M320C316-E318 PolarHBondContact O-N 2.8Å; C316-E318 PolarHBondContact SG-OE2 3.27Å; E318-M320 VanDerWaalsContact C-N 3.3Å
319E92Very high94.2Very high22 Ų2252.1 Ų52.110%0.10327%0.274CS..G310 helixtrans-78.9-18172.4-65.7-63.216100113.3R168 R291 Q312 C316 A317 G321 N322R168-E319 IonicContact CZ-OE1 2.8Å; R168-E319 IonicContact NH1-OE1 3.94Å; R168-E319 PolarHBondContact NH1-OE1 3.17Å; R168-E319 VanDerWaalsContact NH2-CD 3.25Å; R168-E319 IonicContact NH2-OE1 3Å; R168-E319 PolarHBondContact NH2-OE1 2.97Å; R291-E319 WeakPolarHBondContact CD-OE1 3.32Å; R291-E319 HydrophobicContact CG-CG 4.19Å; R291-E319 WeakPolarHBondContact CG-OE2 3.47Å; Q312-E319 PolarHBondContact NE2-O 3.4Å; C316-E319 HydrophobicContact CB-CG 4.1Å; C316-E319 PolarHBondContact O-N 3Å; A317-E319 PolarHBondContact O-N 2.91Å; E319-G321 PolarHBondContact O-N 3.28Å; E319-N322 PolarHBondContact O-N 3.29Å
320M90.2Very high94.3Very high47 Ų4747 Ų4723%0.23225%0.252CS..THydrogen-bonded Turntrans-74.5112-173-59-175.6169.600109.3A317 E318 N322 A329 L331A317-M320 VanDerWaalsContact O-CB 3.26Å; A317-M320 WeakPolarHBondContact O-CB 3.23Å; A317-M320 WeakPolarHBondContact O-CG 3.24Å; A317-M320 PolarHBondContact O-N 2.79Å; E318-M320 VanDerWaalsContact C-N 3.3Å; M320-N322 VanDerWaalsContact C-N 3.3Å; M320-N322 PolarHBondContact O-N 2.89Å; M320-A329 HydrophobicContact CB-CB 4.37Å; M320-A329 HydrophobicContact CG-CB 4.41Å; M320-A329 HydrophobicContact SD-CB 3.8Å; M320-L331 HydrophobicContact CE-CB 3.6Å; M320-L331 HydrophobicContact CE-CD1 3.73Å; M320-L331 HydrophobicContact CE-CG 4.27Å; M320-L331 HydrophobicContact SD-CB 4.23Å
321G85.1Confident94.2Very high36 Ų3650.7 Ų50.737%0.37127%0.271SS..THydrogen-bonded Turntrans80.36.8-178.200000115E319 N323 V324E319-G321 PolarHBondContact O-N 3.28Å; G321-N323 PolarHBondContact O-N 2.89Å; G321-V324 WeakPolarHBondContact CA-O 3.42Å
322N90.3Very high94.1Very high101 Ų10150.7 Ų50.754%0.5427%0.271SS..SBendtrans-58.7-45.2-176.5-174.930.6000112.9E319 M320E319-N322 PolarHBondContact O-N 3.29Å; M320-N322 VanDerWaalsContact C-N 3.3Å; M320-N322 PolarHBondContact O-N 2.89Å
323N91.5Very high94Very high64 Ų6451.9 Ų51.934%0.34228%0.277SS..SBendtrans-110-44.9178.6-64.9-78.6000112.6L292 F298 G321L292-N323 HydrophobicContact CB-CB 4.35Å; L292-N323 PolarHBondContact O-ND2 2.99Å; F298-N323 HydrophobicContact CB-CB 4.19Å; F298-N323 WeakPolarHBondContact O-CB 3.3Å; G321-N323 PolarHBondContact O-N 2.89Å
324V92.9Very high94Very high24 Ų2451.9 Ų51.915%0.14528%0.277CS..SBendtrans-127.8131.5176.7177.90000108L292 F298 G299 L300 I310 G321 A326L292-V324 HydrophobicContact CD1-CB 3.87Å; L292-V324 HydrophobicContact CD1-CG2 4.1Å; F298-V324 WeakPolarHBondContact O-CG2 3.45Å; G299-V324 WeakPolarHBondContact O-CG2 3.29Å; L300-V324 HydrophobicContact CD2-CG2 3.92Å; I310-V324 HydrophobicContact CG1-CB 4.37Å; I310-V324 HydrophobicContact CG1-CG1 3.82Å; G321-V324 WeakPolarHBondContact CA-O 3.42Å; V324-A326 PolarHBondContact O-N 3.41Å; V324-A326 VanDerWaalsContact O-N 3.13Å
325K93.5Very high94.1Very high186 Ų18651.5 Ų51.581%0.80928%0.277SS*.  trans-58.3117.2176-176.3176.7-179.6176.30110R327K325-R327 PolarHBondContact O-N 3.49Å
326A94.3Very high94.2Very high18 Ų1849.1 Ų49.115%0.14927%0.267CS..EExtended strand (participates in β ladder)trans-64.5133.6174.200000110.2I310 Q312 V324 A329I310-A326 CarbonylContact O-C 3.48Å; I310-A326 WeakPolarHBondContact O-CA 3.26Å; Q312-A326 HydrophobicContact CB-CB 4.21Å; V324-A326 PolarHBondContact O-N 3.41Å; V324-A326 VanDerWaalsContact O-N 3.13Å; A326-A329 HydrophobicContact CB-CB 4.24Å
327R96.9Very high94.4Very high140 Ų14048.3 Ų48.353%0.52826%0.262SS..EExtended strand (participates in β ladder)trans-70.2-40.2169.7172.859.4-157.2177.510.1110.5E211 V215 K309 I310 K325E211-R327 IonicContact OE1-CZ 3.04Å; E211-R327 IonicContact OE1-NE 3.02Å; E211-R327 IonicContact OE1-NH2 2.81Å; E211-R327 PolarHBondContact OE1-NH2 3.45Å; V215-R327 HydrophobicContact CG1-CG 4.39Å; V215-R327 HydrophobicContact CG2-CG 4.14Å; K309-R327 HydrophobicContact CB-CB 3.98Å; K309-R327 HydrophobicContact CB-CG 4.27Å; K309-R327 HydrophobicContact CD-CG 4.45Å; K309-R327 HydrophobicContact CG-CB 4.48Å; K309-R327 HydrophobicContact CG-CG 4.47Å; I310-R327 PolarHBondContact O-N 3.02Å; K325-R327 PolarHBondContact O-N 3.49Å
328V97.7Very high94.7Very high5 Ų546 Ų463%0.0324%0.242CC..EExtended strand (participates in β ladder)trans-134.5125.5171.1-173.70000107.7A208 E211 A212 V215 I310 I311 Q312 L330A208-V328 HydrophobicContact CB-CG1 4.32Å; A208-V328 WeakPolarHBondContact O-CG1 3.46Å; E211-V328 HydrophobicContact CB-CG2 4.31Å; E211-V328 HydrophobicContact CG-CG2 3.78Å; A212-V328 HydrophobicContact CB-CG1 4.18Å; V215-V328 HydrophobicContact CG2-CG2 4.06Å; I310-V328 PolarHBondContact O-N 3.26Å; I311-V328 WeakPolarHBondContact CA-O 3.41Å; I311-V328 HydrophobicContact CG1-CB 4.3Å; I311-V328 HydrophobicContact CG1-CG2 4.43Å; I311-V328 HydrophobicContact CG2-CB 4.18Å; Q312-V328 PolarHBondContact N-O 3.39Å; V328-L330 HydrophobicContact CG1-CD2 4.21Å; V328-L330 HydrophobicContact CG1-CG 4.17Å
329A97Very high95Very high47 Ų4741.4 Ų41.439%0.38823%0.226SC..EExtended strand (participates in β ladder)trans-107.7124.4177.800000109.3M320 A326M320-A329 HydrophobicContact CB-CB 4.37Å; M320-A329 HydrophobicContact CG-CB 4.41Å; M320-A329 HydrophobicContact SD-CB 3.8Å; A326-A329 HydrophobicContact CB-CB 4.24Å
330L97.6Very high95.3Very high0 Ų041.8 Ų41.80%023%0.228CC..EExtended strand (participates in β ladder)trans-120.496.7-175.1-65.4167.4000109A204 A208 A212 I311 Q312 V313 D314 V328 G332 V337 I341A204-L330 HydrophobicContact CB-CB 4.01Å; A204-L330 HydrophobicContact CB-CD2 3.64Å; A204-L330 HydrophobicContact CB-CG 4.46Å; A208-L330 HydrophobicContact CB-CD2 3.61Å; A212-L330 HydrophobicContact CB-CD1 3.99Å; I311-L330 HydrophobicContact CG2-CD1 3.86Å; Q312-L330 PolarHBondContact O-N 2.95Å; V313-L330 WeakPolarHBondContact CA-O 3.47Å; V313-L330 HydrophobicContact CB-CB 4.47Å; V313-L330 HydrophobicContact CG2-CB 3.93Å; V313-L330 HydrophobicContact CG2-CD1 3.67Å; V313-L330 HydrophobicContact CG2-CG 4.42Å; D314-L330 PolarHBondContact N-O 3.37Å; V328-L330 HydrophobicContact CG1-CD2 4.21Å; V328-L330 HydrophobicContact CG1-CG 4.17Å; L330-G332 PolarHBondContact O-N 3.07Å; L330-V337 HydrophobicContact CB-CG1 3.88Å; L330-V337 HydrophobicContact CD1-CG1 3.84Å; L330-V337 HydrophobicContact CG-CG1 4.31Å; L330-I341 HydrophobicContact CD1-CD1 3.94Å
331L96.8Very high95.7Very high76 Ų7639.6 Ų39.640%0.39822%0.218SC..EExtended strand (participates in β ladder)trans-83.5111.2-179.1-178.666.1000109.1L203 L315 A317 M320L203-L331 CarbonylContact C-O 3.58Å; L315-L331 WeakPolarHBondContact O-CD1 3.28Å; A317-L331 HydrophobicContact CB-CD1 4.15Å; A317-L331 HydrophobicContact CB-CD2 4.34Å; M320-L331 HydrophobicContact CE-CB 3.6Å; M320-L331 HydrophobicContact CE-CD1 3.73Å; M320-L331 HydrophobicContact CE-CG 4.27Å; M320-L331 HydrophobicContact SD-CB 4.23Å
332G96.1Very high96.3Very high0 Ų038 Ų380%020%0.201CC..SBendtrans172.3172.1-175.800000113.7S202 D314 L330S202-G332 WeakPolarHBondContact O-CA 3.49Å; S202-G332 WeakPolarHBondContact OG-CA 3.32Å; D314-G332 CarbonylContact C-O 3.57Å; D314-G332 PolarHBondContact O-N 3.26Å; D314-G332 VanDerWaalsContact O-N 3.15Å; L330-G332 PolarHBondContact O-N 3.07Å
333D96.8Very high96.7Very high29 Ų2937.5 Ų37.516%0.15520%0.201CC..  trans-62.4136.7166.9175.3-97.8000110.4V201 S202 S233 G335 A336 V337V201-D333 HydrophobicContact CG1-CB 3.82Å; S202-D333 PolarHBondContact O-N 3.24Å; S202-D333 PolarHBondContact OG-N 3.25Å; S233-D333 WeakPolarHBondContact CB-OD2 3.3Å; D333-G335 PolarHBondContact O-N 3.33Å; D333-G335 WeakPolarHBondContact OD1-CA 3.07Å; D333-G335 PolarHBondContact OD1-N 2.87Å; D333-A336 HydrophobicContact CB-CB 3.99Å; D333-A336 PolarHBondContact O-N 2.88Å; D333-A336 PolarHBondContact OD1-N 2.75Å; D333-V337 WeakPolarHBondContact O-CB 3.28Å; D333-V337 VanDerWaalsContact O-CG2 3.29Å; D333-V337 WeakPolarHBondContact O-CG2 3.28Å; D333-V337 PolarHBondContact O-N 2.79Å
334V96.9Very high97Very high0 Ų034.9 Ų34.90%019%0.188CC..Hα-helixtrans-62.3-44-174.5176.60000111.3A230 A235 L288 V313 V338A230-V334 HydrophobicContact CB-CG1 4.1Å; A235-V334 HydrophobicContact CB-CG1 4.39Å; L288-V334 HydrophobicContact CB-CG1 4.04Å; V313-V334 HydrophobicContact CG1-CG2 4.19Å; V334-V338 HydrophobicContact CG1-CG2 4.25Å; V334-V338 VanDerWaalsContact O-CB 3.3Å; V334-V338 WeakPolarHBondContact O-CB 3.45Å; V334-V338 WeakPolarHBondContact O-CG2 3.3Å; V334-V338 PolarHBondContact O-N 3.01Å
335G96.9Very high97.2Very high8 Ų833.9 Ų33.98%0.08218%0.181CC..Hα-helixtrans-66-42.8179.900000111.8D333 S339D333-G335 PolarHBondContact O-N 3.33Å; D333-G335 WeakPolarHBondContact OD1-CA 3.07Å; D333-G335 PolarHBondContact OD1-N 2.87Å; G335-S339 PolarHBondContact O-N 3.15Å; G335-S339 PolarHBondContact O-OG 2.81Å
336A97.5Very high97.4Very high15 Ų1530.8 Ų30.812%0.12417%0.165CC..Hα-helixtrans-65.9-45.217900000112.2V201 L203 D333 S339 Q340V201-A336 HydrophobicContact CG1-CB 3.55Å; L203-A336 HydrophobicContact CD2-CB 3.63Å; D333-A336 HydrophobicContact CB-CB 3.99Å; D333-A336 PolarHBondContact O-N 2.88Å; D333-A336 PolarHBondContact OD1-N 2.75Å; A336-S339 VanDerWaalsContact O-CB 3.28Å; A336-S339 WeakPolarHBondContact O-CB 3.38Å; A336-S339 PolarHBondContact O-N 3.18Å; A336-Q340 PolarHBondContact O-N 2.83Å; A336-Q340 VanDerWaalsContact O-N 3.14Å
337V98.2Very high97.6Very high0 Ų036.7 Ų36.70%018%0.183CC..Hα-helixtrans-66.5-40.6177.4171.60000111.7A204 V313 L330 D333 S339 Q340 I341A204-V337 HydrophobicContact CB-CG1 4.44Å; A204-V337 HydrophobicContact CB-CG2 3.87Å; V313-V337 HydrophobicContact CB-CG1 4.45Å; V313-V337 HydrophobicContact CG1-CB 3.77Å; V313-V337 HydrophobicContact CG1-CG1 3.72Å; V313-V337 HydrophobicContact CG1-CG2 4.12Å; V313-V337 HydrophobicContact CG2-CG1 3.81Å; L330-V337 HydrophobicContact CB-CG1 3.88Å; L330-V337 HydrophobicContact CD1-CG1 3.84Å; L330-V337 HydrophobicContact CG-CG1 4.31Å; D333-V337 WeakPolarHBondContact O-CB 3.28Å; D333-V337 VanDerWaalsContact O-CG2 3.29Å; D333-V337 WeakPolarHBondContact O-CG2 3.28Å; D333-V337 PolarHBondContact O-N 2.79Å; V337-S339 PolarHBondContact O-N 3.4Å; V337-Q340 WeakPolarHBondContact O-CB 3.43Å; V337-Q340 PolarHBondContact O-N 2.86Å; V337-Q340 VanDerWaalsContact O-N 3.08Å; V337-I341 HydrophobicContact CG1-CD1 4.25Å; V337-I341 WeakPolarHBondContact O-CG1 3.49Å; V337-I341 PolarHBondContact O-N 3.34Å
338V98.2Very high97.6Very high1 Ų133.1 Ų33.11%0.00618%0.175CC..Hα-helixtrans-61.9-36.8174.5170.50000110.7V238 L239 F242 L288 V334 Q340 I341 L342V238-V338 HydrophobicContact CG1-CB 4.36Å; V238-V338 HydrophobicContact CG1-CG1 4.14Å; V238-V338 HydrophobicContact CG2-CG1 4.04Å; L239-V338 HydrophobicContact CD2-CB 4.37Å; L239-V338 HydrophobicContact CD2-CG1 3.89Å; L239-V338 HydrophobicContact CD2-CG2 3.71Å; L239-V338 HydrophobicContact CG-CG1 4.32Å; L239-V338 HydrophobicContact CG-CG2 4.45Å; F242-V338 HydrophobicContact CB-CG1 3.81Å; F242-V338 HydrophobicContact CD1-CG1 4.46Å; F242-V338 HydrophobicContact CG-CG1 4.07Å; L288-V338 HydrophobicContact CD1-CG2 4.03Å; L288-V338 HydrophobicContact CD2-CG2 4Å; V334-V338 HydrophobicContact CG1-CG2 4.25Å; V334-V338 VanDerWaalsContact O-CB 3.3Å; V334-V338 WeakPolarHBondContact O-CB 3.45Å; V334-V338 WeakPolarHBondContact O-CG2 3.3Å; V334-V338 PolarHBondContact O-N 3.01Å; V338-Q340 VanDerWaalsContact C-N 3.31Å; V338-Q340 PolarHBondContact O-N 3.47Å; V338-I341 PolarHBondContact O-N 3.34Å; V338-L342 VanDerWaalsContact O-CB 3.28Å; V338-L342 WeakPolarHBondContact O-CB 3.44Å; V338-L342 PolarHBondContact O-N 3.1Å
339S98.3Very high97.5Very high50 Ų5036.1 Ų36.135%0.3521%0.206SC..Hα-helixtrans-60.8-39173.3-540000112.2V238 G335 A336 V337 L342 T343V238-S339 WeakPolarHBondContact CG2-OG 3.46Å; G335-S339 PolarHBondContact O-N 3.15Å; G335-S339 PolarHBondContact O-OG 2.81Å; A336-S339 VanDerWaalsContact O-CB 3.28Å; A336-S339 WeakPolarHBondContact O-CB 3.38Å; A336-S339 PolarHBondContact O-N 3.18Å; V337-S339 PolarHBondContact O-N 3.4Å; S339-L342 PolarHBondContact O-N 2.89Å; S339-T343 PolarHBondContact O-N 2.97Å; S339-T343 PolarHBondContact O-OG1 3.42Å
340Q98.3Very high97.5Very high31 Ų3135.7 Ų35.715%0.14520%0.195CC..Hα-helixtrans-64.7-45.6175.7-63.3177.9-70.700111.4L203 A204 A209 A336 V337 V338 T343 C344L203-Q340 HydrophobicContact CD2-CG 4.1Å; A204-Q340 PolarHBondContact O-NE2 2.81Å; A204-Q340 PolarHBondContact O-OE1 2.87Å; A209-Q340 HydrophobicContact CB-CB 3.98Å; A336-Q340 PolarHBondContact O-N 2.83Å; A336-Q340 VanDerWaalsContact O-N 3.14Å; V337-Q340 WeakPolarHBondContact O-CB 3.43Å; V337-Q340 PolarHBondContact O-N 2.86Å; V337-Q340 VanDerWaalsContact O-N 3.08Å; V338-Q340 VanDerWaalsContact C-N 3.31Å; V338-Q340 PolarHBondContact O-N 3.47Å; Q340-T343 WeakPolarHBondContact O-CB 3.32Å; Q340-T343 PolarHBondContact O-N 3.47Å; Q340-C344 PolarHBondContact O-N 2.81Å; Q340-C344 PolarHBondContact O-SG 2.88Å
341I98.4Very high97.5Very high1 Ų141.5 Ų41.51%0.00522%0.22CC..Hα-helixtrans-64.1-44.9177.6-59.7170000110.1A209 F242 L286 L330 V337 V338 T343 C344 V345A209-I341 HydrophobicContact CB-CG1 4.36Å; F242-I341 HydrophobicContact CD2-CG2 4.4Å; F242-I341 HydrophobicContact CE2-CG2 3.67Å; F242-I341 HydrophobicContact CZ-CG2 4.3Å; L286-I341 HydrophobicContact CD1-CD1 4.47Å; L330-I341 HydrophobicContact CD1-CD1 3.94Å; V337-I341 HydrophobicContact CG1-CD1 4.25Å; V337-I341 WeakPolarHBondContact O-CG1 3.49Å; V337-I341 PolarHBondContact O-N 3.34Å; V338-I341 PolarHBondContact O-N 3.34Å; I341-T343 VanDerWaalsContact C-N 3.3Å; I341-T343 PolarHBondContact O-N 3.41Å; I341-C344 WeakPolarHBondContact O-CA 3.41Å; I341-C344 WeakPolarHBondContact O-CB 3.38Å; I341-C344 PolarHBondContact O-N 2.85Å; I341-V345 HydrophobicContact CG2-CG2 4.39Å; I341-V345 WeakPolarHBondContact O-CG2 3.42Å; I341-V345 PolarHBondContact O-N 2.71Å
342L98.4Very high97.5Very high3 Ų338.5 Ų38.52%0.01620%0.204CC..Hα-helixtrans-59.2-39.9177.4178.954.5000112.1V238 E241 F242 E245 V338 S339 C344 V345 R346V238-L342 HydrophobicContact CG2-CD2 3.95Å; E241-L342 HydrophobicContact CB-CD2 3.85Å; F242-L342 HydrophobicContact CB-CD1 4.47Å; F242-L342 HydrophobicContact CD2-CB 4.46Å; E245-L342 HydrophobicContact CB-CD1 4.31Å; E245-L342 WeakPolarHBondContact OE2-CD1 3.48Å; V338-L342 VanDerWaalsContact O-CB 3.28Å; V338-L342 WeakPolarHBondContact O-CB 3.44Å; V338-L342 PolarHBondContact O-N 3.1Å; S339-L342 PolarHBondContact O-N 2.89Å; L342-C344 VanDerWaalsContact C-N 3.29Å; L342-C344 PolarHBondContact O-N 2.79Å; L342-V345 WeakPolarHBondContact O-CB 3.29Å; L342-V345 PolarHBondContact O-N 3.15Å; L342-V345 VanDerWaalsContact O-N 3.16Å; L342-R346 HydrophobicContact CD1-CG 4.29Å; L342-R346 WeakPolarHBondContact O-CG 3.2Å; L342-R346 PolarHBondContact O-N 2.83Å
343T98.3Very high97.4Very high89 Ų8942.1 Ų42.155%0.54623%0.227SC..Hα-helixtrans-59.4-42173.8-58.40000111.3S339 Q340 I341 R346 R347S339-T343 PolarHBondContact O-N 2.97Å; S339-T343 PolarHBondContact O-OG1 3.42Å; Q340-T343 WeakPolarHBondContact O-CB 3.32Å; Q340-T343 PolarHBondContact O-N 3.47Å; I341-T343 VanDerWaalsContact C-N 3.3Å; I341-T343 PolarHBondContact O-N 3.41Å; T343-R346 PolarHBondContact O-N 3.48Å; T343-R347 WeakPolarHBondContact O-CB 3.11Å; T343-R347 PolarHBondContact O-N 2.75Å
344C97.8Very high97.1Very high10 Ų1044.5 Ų44.57%0.06825%0.246CC..Hα-helixtrans-66.2-40.3175.1-57.60000111.7L213 Q340 I341 L342 R347 D348L213-C344 HydrophobicContact CB-CB 4.34Å; L213-C344 HydrophobicContact CD2-CB 3.45Å; L213-C344 VanDerWaalsContact CD2-CB 3.45Å; L213-C344 WeakPolarHBondContact CD2-O 3.39Å; Q340-C344 PolarHBondContact O-N 2.81Å; Q340-C344 PolarHBondContact O-SG 2.88Å; I341-C344 WeakPolarHBondContact O-CA 3.41Å; I341-C344 WeakPolarHBondContact O-CB 3.38Å; I341-C344 PolarHBondContact O-N 2.85Å; L342-C344 VanDerWaalsContact C-N 3.29Å; L342-C344 PolarHBondContact O-N 2.79Å; C344-R347 PolarHBondContact O-N 3.06Å; C344-D348 WeakPolarHBondContact O-CB 3.45Å; C344-D348 VanDerWaalsContact O-CG 3.31Å; C344-D348 PolarHBondContact O-N 3.21Å
345V97.8Very high96.8Very high2 Ų254.1 Ų54.11%0.01229%0.288CS..Hα-helixtrans-58.6-48.3176.3170.10000110.7L213 F242 I341 L342 D348 G349 W350L213-V345 HydrophobicContact CD1-CG2 3.71Å; L213-V345 HydrophobicContact CD2-CG2 4.44Å; F242-V345 HydrophobicContact CD2-CG2 4.4Å; F242-V345 HydrophobicContact CE2-CG2 4.04Å; I341-V345 HydrophobicContact CG2-CG2 4.39Å; I341-V345 WeakPolarHBondContact O-CG2 3.42Å; I341-V345 PolarHBondContact O-N 2.71Å; L342-V345 WeakPolarHBondContact O-CB 3.29Å; L342-V345 PolarHBondContact O-N 3.15Å; L342-V345 VanDerWaalsContact O-N 3.16Å; V345-D348 PolarHBondContact O-N 3.5Å; V345-G349 PolarHBondContact O-N 2.71Å; V345-W350 HydrophobicContact CG1-CE3 4.4Å; V345-W350 VanDerWaalsContact CG1-O 3.31Å; V345-W350 WeakPolarHBondContact CG1-O 3.5Å; V345-W350 HydrophobicContact CG2-CE3 4.1Å; V345-W350 HydrophobicContact CG2-CZ3 4.5Å; V345-W350 PolarHBondContact O-N 3.47Å
346R98Very high96.7Very high121 Ų12155.3 Ų55.346%0.45729%0.294SS..Hα-helixtrans-63.6-47.9178.3-74.4174175.7161.6-1.2112.2E241 E245 L342 T343 D348 G349E241-R346 IonicContact OE2-CZ 3.7Å; E241-R346 IonicContact OE2-NH1 3.8Å; E241-R346 IonicContact OE2-NH2 2.74Å; E241-R346 PolarHBondContact OE2-NH2 3.05Å; E245-R346 IonicContact OE1-CZ 3.24Å; E245-R346 VanDerWaalsContact OE1-CZ 3.24Å; E245-R346 IonicContact OE1-NE 2.96Å; E245-R346 PolarHBondContact OE1-NE 2.99Å; E245-R346 IonicContact OE1-NH2 2.69Å; E245-R346 PolarHBondContact OE1-NH2 2.69Å; E245-R346 WeakPolarHBondContact OE2-CG 3.28Å; E245-R346 IonicContact OE2-CZ 3.92Å; E245-R346 IonicContact OE2-NE 2.98Å; E245-R346 PolarHBondContact OE2-NE 2.91Å; L342-R346 HydrophobicContact CD1-CG 4.29Å; L342-R346 WeakPolarHBondContact O-CG 3.2Å; L342-R346 PolarHBondContact O-N 2.83Å; T343-R346 PolarHBondContact O-N 3.48Å; R346-D348 VanDerWaalsContact C-N 3.25Å; R346-D348 PolarHBondContact O-N 3.33Å; R346-G349 PolarHBondContact O-N 3.19Å; R346-G349 VanDerWaalsContact O-N 3.17Å
347R97.6Very high96.4Very high142 Ų14261.8 Ų61.854%0.53632%0.322SS..Hα-helixtrans-55.2-43.8177.6-179.1-169.567.8-164.6-1.6111.6E210 T343 C344 G349E210-R347 IonicContact OE1-CZ 3.68Å; E210-R347 IonicContact OE1-NH1 2.73Å; E210-R347 PolarHBondContact OE1-NH1 3.02Å; E210-R347 IonicContact OE1-NH2 3.55Å; T343-R347 WeakPolarHBondContact O-CB 3.11Å; T343-R347 PolarHBondContact O-N 2.75Å; C344-R347 PolarHBondContact O-N 3.06Å; R347-G349 VanDerWaalsContact C-N 3.33Å
348D96.9Very high96.2Very high65 Ų6562.1 Ų62.135%0.34832%0.323SS..THydrogen-bonded Turntrans-88.5-2.8-175-64.15.6000113L213 K217 C344 V345 R346 W350L213-D348 HydrophobicContact CD2-CB 4.41Å; L213-D348 WeakPolarHBondContact CD2-OD2 3.29Å; K217-D348 VanDerWaalsContact NZ-CG 3.31Å; K217-D348 IonicContact NZ-OD2 2.8Å; K217-D348 PolarHBondContact NZ-OD2 2.82Å; C344-D348 WeakPolarHBondContact O-CB 3.45Å; C344-D348 VanDerWaalsContact O-CG 3.31Å; C344-D348 PolarHBondContact O-N 3.21Å; V345-D348 PolarHBondContact O-N 3.5Å; R346-D348 VanDerWaalsContact C-N 3.25Å; R346-D348 PolarHBondContact O-N 3.33Å; D348-W350 HydrophobicContact CB-CB 4.41Å; D348-W350 PolarHBondContact O-N 3.41Å
349G96Very high95.9Very high68 Ų6862.5 Ų62.570%0.70132%0.324SS*.THydrogen-bonded Turntrans55.930.2-174.700000113.3V345 R346 R347V345-G349 PolarHBondContact O-N 2.71Å; R346-G349 PolarHBondContact O-N 3.19Å; R346-G349 VanDerWaalsContact O-N 3.17Å; R347-G349 VanDerWaalsContact C-N 3.33Å
350W96.8Very high95.6Very high38 Ų3862.5 Ų62.514%0.14432%0.324CS..  trans-85.5133.9-170.1178.173000112.1L213 L216 K217 L248 V345 D348L213-W350 HydrophobicContact CD1-CD2 4.05Å; L213-W350 HydrophobicContact CD1-CE3 3.58Å; L213-W350 HydrophobicContact CD1-CZ3 3.97Å; L216-W350 HydrophobicContact CB-CH2 3.95Å; L216-W350 HydrophobicContact CB-CZ2 4.47Å; L216-W350 HydrophobicContact CB-CZ3 4.49Å; K217-W350 HydrophobicContact CD-CG 4.41Å; K217-W350 HydrophobicContact CG-CD2 3.98Å; K217-W350 HydrophobicContact CG-CG 3.84Å; K217-W350 HydrophobicContact CG-CZ2 4.41Å; L248-W350 HydrophobicContact CD1-CH2 4.18Å; L248-W350 HydrophobicContact CD1-CZ3 4.31Å; L248-W350 HydrophobicContact CD2-CH2 4.06Å; L248-W350 HydrophobicContact CG-CH2 4.23Å; V345-W350 HydrophobicContact CG1-CE3 4.4Å; V345-W350 VanDerWaalsContact CG1-O 3.31Å; V345-W350 WeakPolarHBondContact CG1-O 3.5Å; V345-W350 HydrophobicContact CG2-CE3 4.1Å; V345-W350 HydrophobicContact CG2-CZ3 4.5Å; V345-W350 PolarHBondContact O-N 3.47Å; D348-W350 HydrophobicContact CB-CB 4.41Å; D348-W350 PolarHBondContact O-N 3.41Å
351K97.1Very high95.2Very high123 Ų12364 Ų6454%0.53533%0.331SS..  trans-141.7131.7171.8-176.8162.1-171.9137.90109.7E244 E245E244-K351 PolarHBondContact O-NZ 3.43Å; E245-K351 WeakPolarHBondContact O-CD 3.36Å; E245-K351 VanDerWaalsContact O-CG 3.31Å; E245-K351 WeakPolarHBondContact O-CG 3.34Å
352Y96.8Very high94.8Very high12 Ų1264.2 Ų64.25%0.04733%0.332CS..  trans-66.1127.1172.4-174.9-104.1000109.6K220 P222 S246 L248 S354 T356 W359K220-Y352 PolarHBondContact O-OH 3.02Å; P222-Y352 VanDerWaalsContact CD-CE2 3.45Å; P222-Y352 HydrophobicContact CG-CD1 4.4Å; P222-Y352 HydrophobicContact CG-CD2 3.67Å; P222-Y352 HydrophobicContact CG-CE1 4.27Å; P222-Y352 HydrophobicContact CG-CE2 3.51Å; P222-Y352 HydrophobicContact CG-CG 4.13Å; S246-Y352 VanDerWaalsContact O-CB 3.29Å; S246-Y352 WeakPolarHBondContact O-CB 3.19Å; S246-Y352 PolarHBondContact O-N 3.44Å; L248-Y352 HydrophobicContact CD2-CD1 4.45Å; L248-Y352 HydrophobicContact CD2-CD2 4.46Å; L248-Y352 HydrophobicContact CD2-CG 4Å; Y352-S354 PolarHBondContact O-N 3.32Å; Y352-T356 HydrophobicContact CE1-CG2 4.16Å; Y352-T356 PolarHBondContact OH-OG1 3Å; Y352-W359 AromaticContact CD1-NE1 3.65Å; Y352-W359 AromaticContact CE1-CD1 3.66Å; Y352-W359 AromaticContact CE1-NE1 3.68Å
353P94.4Very high94.4Very high76 Ų7670.9 Ų70.949%0.49436%0.357SS..  trans-62.2138-174-2232.1000112.6T356P353-T356 HydrophobicContact CB-CG2 3.92Å; P353-T356 HydrophobicContact CG-CG2 4.45Å; P353-T356 WeakPolarHBondContact O-CG2 3.28Å
354S90.4Very high93.9Very high80 Ų8073.4 Ų73.456%0.55936%0.361SS*.SBendtrans-78.8-18.1-179.259.70000114.1Y352Y352-S354 PolarHBondContact O-N 3.32Å
355K91.6Very high93.2Very high202 Ų20276.3 Ų76.388%0.87837%0.372SS*.SBendtrans-106.457.8-179.3-63.3-176-178.5179.20111.3
356T93.4Very high92.6Very high32 Ų3278.1 Ų78.120%0.19638%0.383CS..SBendtrans-103.2158174.159.40000111.2Y352 P353 W358 W359 S360Y352-T356 HydrophobicContact CE1-CG2 4.16Å; Y352-T356 PolarHBondContact OH-OG1 3Å; P353-T356 HydrophobicContact CB-CG2 3.92Å; P353-T356 HydrophobicContact CG-CG2 4.45Å; P353-T356 WeakPolarHBondContact O-CG2 3.28Å; T356-W358 PolarHBondContact O-N 3.41Å; T356-W359 PolarHBondContact O-N 3.02Å; T356-W359 PolarHBondContact OG1-N 3.44Å; T356-W359 VanDerWaalsContact OG1-N 3.16Å; T356-S360 PolarHBondContact O-N 3.47Å; T356-S360 VanDerWaalsContact O-N 3.09Å
357E92.7Very high92.1Very high152 Ų15275.3 Ų75.371%0.7139%0.386SS*.Hα-helixtrans-54.9-40168.9-175.9170.8-16000110.6W359 S360 E361E357-W359 PolarHBondContact O-N 2.88Å; E357-S360 WeakPolarHBondContact O-CB 3.49Å; E357-S360 PolarHBondContact O-N 3.37Å; E357-E361 HydrophobicContact CG-CG 4.47Å; E357-E361 WeakPolarHBondContact O-CG 3.29Å; E357-E361 PolarHBondContact O-N 2.8Å
358W93.2Very high91.6Very high6 Ų670.6 Ų70.62%0.02338%0.377CS..Hα-helixtrans-55.3-53.1175.8-177.4-138.2000113.5T221 P222 A278 Q281 T356 S360 E361 L362T221-W358 HydrophobicContact CG2-CB 4.07Å; T221-W358 HydrophobicContact CG2-CD2 3.74Å; T221-W358 HydrophobicContact CG2-CE3 3.77Å; T221-W358 HydrophobicContact CG2-CG 3.91Å; T221-W358 HydrophobicContact CG2-CZ3 4.29Å; P222-W358 PolarHBondContact O-NE1 2.94Å; A278-W358 HydrophobicContact CB-CH2 4.14Å; A278-W358 HydrophobicContact CB-CZ2 4.5Å; A278-W358 WeakPolarHBondContact O-CH2 3.29Å; Q281-W358 HydrophobicContact CB-CH2 3.84Å; Q281-W358 HydrophobicContact CB-CZ3 3.6Å; Q281-W358 HydrophobicContact CG-CZ3 4.47Å; T356-W358 PolarHBondContact O-N 3.41Å; W358-S360 VanDerWaalsContact C-N 3.3Å; W358-S360 PolarHBondContact O-N 3.49Å; W358-E361 PolarHBondContact O-N 3.34Å; W358-L362 HydrophobicContact CD2-CD1 3.74Å; W358-L362 HydrophobicContact CD2-CG 3.99Å; W358-L362 VanDerWaalsContact CE2-CD1 3.46Å; W358-L362 HydrophobicContact CE3-CD1 4.35Å; W358-L362 HydrophobicContact CE3-CD2 4.48Å; W358-L362 HydrophobicContact CE3-CG 4.08Å; W358-L362 HydrophobicContact CG-CD1 4.1Å; W358-L362 HydrophobicContact CH2-CD2 4.02Å; W358-L362 HydrophobicContact CH2-CG 4.41Å; W358-L362 HydrophobicContact CZ2-CD1 3.94Å; W358-L362 HydrophobicContact CZ2-CD2 4.03Å; W358-L362 HydrophobicContact CZ2-CG 4.23Å; W358-L362 HydrophobicContact CZ3-CD2 4.19Å; W358-L362 HydrophobicContact CZ3-CG 4.28Å; W358-L362 WeakPolarHBondContact O-CG 3.42Å; W358-L362 PolarHBondContact O-N 2.82Å
359W92.4Very high90.9Very high9 Ų967.7 Ų67.73%0.03436%0.362CS..Hα-helixtrans-61.7-38.5177.1-93.6120.2000112.6G247 P249 V268 Y352 T356 E357 L362 R363G247-W359 WeakPolarHBondContact O-CZ2 3.47Å; G247-W359 PolarHBondContact O-NE1 3.26Å; P249-W359 HydrophobicContact CB-CH2 3.52Å; P249-W359 HydrophobicContact CB-CZ2 3.76Å; P249-W359 HydrophobicContact CB-CZ3 4.12Å; P249-W359 HydrophobicContact CG-CH2 4.45Å; P249-W359 HydrophobicContact CG-CZ2 4.24Å; V268-W359 HydrophobicContact CG1-CZ3 4.37Å; Y352-W359 AromaticContact CD1-NE1 3.65Å; Y352-W359 AromaticContact CE1-CD1 3.66Å; Y352-W359 AromaticContact CE1-NE1 3.68Å; T356-W359 PolarHBondContact O-N 3.02Å; T356-W359 PolarHBondContact OG1-N 3.44Å; T356-W359 VanDerWaalsContact OG1-N 3.16Å; E357-W359 PolarHBondContact O-N 2.88Å; W359-L362 HydrophobicContact CE3-CD1 4.43Å; W359-R363 HydrophobicContact CE3-CG 4.36Å; W359-R363 WeakPolarHBondContact O-CB 3.42Å; W359-R363 VanDerWaalsContact O-CG 3.24Å; W359-R363 WeakPolarHBondContact O-CG 3.26Å; W359-R363 PolarHBondContact O-N 3.4Å
360S91.6Very high90.3Very high50 Ų5067 Ų6735%0.3535%0.349SS..Hα-helixtrans-61.4-46.6175.6162.60000111.4T356 E357 W358 K364T356-S360 PolarHBondContact O-N 3.47Å; T356-S360 VanDerWaalsContact O-N 3.09Å; E357-S360 WeakPolarHBondContact O-CB 3.49Å; E357-S360 PolarHBondContact O-N 3.37Å; W358-S360 VanDerWaalsContact C-N 3.3Å; W358-S360 PolarHBondContact O-N 3.49Å; S360-K364 WeakPolarHBondContact O-CB 3.34Å; S360-K364 VanDerWaalsContact O-CG 3.23Å; S360-K364 WeakPolarHBondContact O-CG 3.3Å; S360-K364 PolarHBondContact O-N 2.8Å; S360-K364 WeakPolarHBondContact OG-CE 3.47Å
361E89.6Confident89.8Confident62 Ų6273.1 Ų73.129%0.2938%0.377SS..Hα-helixtrans-62.2-48.2176.8-70.6-166.1153.500112.2Q281 E357 W358 R363 K364 K365Q281-E361 PolarHBondContact NE2-OE2 2.71Å; Q281-E361 PolarHBondContact OE1-OE2 3.48Å; E357-E361 HydrophobicContact CG-CG 4.47Å; E357-E361 WeakPolarHBondContact O-CG 3.29Å; E357-E361 PolarHBondContact O-N 2.8Å; W358-E361 PolarHBondContact O-N 3.34Å; E361-R363 PolarHBondContact O-N 2.8Å; E361-K364 PolarHBondContact O-N 2.93Å; E361-K365 WeakPolarHBondContact O-CG 3.41Å; E361-K365 PolarHBondContact O-N 3.44Å
362L89.9Confident89.2Confident7 Ų770.3 Ų70.34%0.03737%0.367CS..Hα-helixtrans-58.5-50.1178.9-71171.1000111.4P249 V268 A278 W358 W359 K364 K365 V366P249-L362 HydrophobicContact CB-CD1 3.88Å; P249-L362 HydrophobicContact CG-CD1 3.97Å; V268-L362 HydrophobicContact CB-CD2 4.45Å; V268-L362 HydrophobicContact CG1-CB 4.2Å; V268-L362 HydrophobicContact CG1-CD1 4.09Å; V268-L362 HydrophobicContact CG1-CD2 4.24Å; V268-L362 HydrophobicContact CG1-CG 4.42Å; A278-L362 HydrophobicContact CB-CD2 3.76Å; W358-L362 HydrophobicContact CD2-CD1 3.74Å; W358-L362 HydrophobicContact CD2-CG 3.99Å; W358-L362 VanDerWaalsContact CE2-CD1 3.46Å; W358-L362 HydrophobicContact CE3-CD1 4.35Å; W358-L362 HydrophobicContact CE3-CD2 4.48Å; W358-L362 HydrophobicContact CE3-CG 4.08Å; W358-L362 HydrophobicContact CG-CD1 4.1Å; W358-L362 HydrophobicContact CH2-CD2 4.02Å; W358-L362 HydrophobicContact CH2-CG 4.41Å; W358-L362 HydrophobicContact CZ2-CD1 3.94Å; W358-L362 HydrophobicContact CZ2-CD2 4.03Å; W358-L362 HydrophobicContact CZ2-CG 4.23Å; W358-L362 HydrophobicContact CZ3-CD2 4.19Å; W358-L362 HydrophobicContact CZ3-CG 4.28Å; W358-L362 WeakPolarHBondContact O-CG 3.42Å; W358-L362 PolarHBondContact O-N 2.82Å; W359-L362 HydrophobicContact CE3-CD1 4.43Å; L362-K364 PolarHBondContact O-N 3.3Å; L362-K365 PolarHBondContact O-N 3.44Å; L362-V366 WeakPolarHBondContact O-CG2 3.44Å; L362-V366 PolarHBondContact O-N 2.67Å
363R89.6Confident88.6Confident142 Ų14270.5 Ų70.554%0.53637%0.37SS..Hα-helixtrans-62-43.8179.6-72.5175.1-169.6-113.80.2112.2W359 E361 K365 V366 A367W359-R363 HydrophobicContact CE3-CG 4.36Å; W359-R363 WeakPolarHBondContact O-CB 3.42Å; W359-R363 VanDerWaalsContact O-CG 3.24Å; W359-R363 WeakPolarHBondContact O-CG 3.26Å; W359-R363 PolarHBondContact O-N 3.4Å; E361-R363 PolarHBondContact O-N 2.8Å; R363-K365 VanDerWaalsContact C-N 3.28Å; R363-K365 PolarHBondContact O-N 2.74Å; R363-V366 PolarHBondContact O-N 2.9Å; R363-A367 WeakPolarHBondContact O-CB 3.41Å; R363-A367 PolarHBondContact O-N 3.17Å
364K88.6Confident88.3Confident143 Ų14373.3 Ų73.362%0.62238%0.375SS*.Hα-helixtrans-57.4-42.3175.7-76.2172.2-175.2177.70111.3S360 E361 L362 A368S360-K364 WeakPolarHBondContact O-CB 3.34Å; S360-K364 VanDerWaalsContact O-CG 3.23Å; S360-K364 WeakPolarHBondContact O-CG 3.3Å; S360-K364 PolarHBondContact O-N 2.8Å; S360-K364 WeakPolarHBondContact OG-CE 3.47Å; E361-K364 PolarHBondContact O-N 2.93Å; L362-K364 PolarHBondContact O-N 3.3Å; K364-A368 WeakPolarHBondContact O-CB 3.23Å; K364-A368 PolarHBondContact O-N 2.91Å
365K83.6Confident88.2Confident70 Ų7072.8 Ų72.830%0.30438%0.375SS..Hα-helixtrans-73.1-41.8-179.6-69.8-66.3-177.5178.50113.2E361 L362 R363 A367 A368 N369E361-K365 WeakPolarHBondContact O-CG 3.41Å; E361-K365 PolarHBondContact O-N 3.44Å; L362-K365 PolarHBondContact O-N 3.44Å; R363-K365 VanDerWaalsContact C-N 3.28Å; R363-K365 PolarHBondContact O-N 2.74Å; K365-A367 VanDerWaalsContact C-N 3.31Å; K365-A367 PolarHBondContact O-N 2.92Å; K365-A368 PolarHBondContact O-N 3.29Å; K365-N369 WeakPolarHBondContact O-CB 3.18Å; K365-N369 PolarHBondContact O-N 2.88Å
366V85.4Confident87.9Confident40 Ų4065.6 Ų65.624%0.24235%0.346CS..Hα-helixtrans-53.6-50.8171.6166.30000110A270 A271 L362 R363 N369 A370A270-V366 HydrophobicContact CB-CG1 4.17Å; A271-V366 HydrophobicContact CB-CG2 3.92Å; L362-V366 WeakPolarHBondContact O-CG2 3.44Å; L362-V366 PolarHBondContact O-N 2.67Å; R363-V366 PolarHBondContact O-N 2.9Å; V366-N369 PolarHBondContact O-N 3.29Å; V366-A370 WeakPolarHBondContact O-CB 3.32Å; V366-A370 PolarHBondContact O-N 3.45Å
367A86.8Confident87.6Confident62 Ų6264.1 Ų64.151%0.51234%0.337SS..Hα-helixtrans-63.4-43.8179.800000113R363 K365 N369 A370 K371R363-A367 WeakPolarHBondContact O-CB 3.41Å; R363-A367 PolarHBondContact O-N 3.17Å; K365-A367 VanDerWaalsContact C-N 3.31Å; K365-A367 PolarHBondContact O-N 2.92Å; A367-N369 PolarHBondContact O-N 3.44Å; A367-A370 PolarHBondContact O-N 3.29Å; A367-K371 PolarHBondContact O-N 3.01Å
368A86.3Confident87.4Confident44 Ų4462 Ų6236%0.36433%0.33SS..Hα-helixtrans-61.8-42.6177.900000112.2K364 K365 K371 I372K364-A368 WeakPolarHBondContact O-CB 3.23Å; K364-A368 PolarHBondContact O-N 2.91Å; K365-A368 PolarHBondContact O-N 3.29Å; A368-K371 WeakPolarHBondContact O-CB 3.25Å; A368-K371 PolarHBondContact O-N 2.98Å; A368-I372 WeakPolarHBondContact O-CG1 3.11Å; A368-I372 PolarHBondContact O-N 2.85Å; A368-I372 VanDerWaalsContact O-N 3.16Å
369N82.1Confident87Confident3 Ų367.1 Ų67.12%0.01635%0.352CS..Hα-helixtrans-68.3-39.8178.6-77.8-10.7000112.3A270 A271 K365 V366 A367 K371 I372 S373A270-N369 VanDerWaalsContact O-CB 3.26Å; A270-N369 WeakPolarHBondContact O-CB 3.14Å; A270-N369 PolarHBondContact O-ND2 2.85Å; A271-N369 VanDerWaalsContact C-ND2 3.29Å; A271-N369 WeakPolarHBondContact CA-ND2 3.36Å; A271-N369 PolarHBondContact O-ND2 3.13Å; K365-N369 WeakPolarHBondContact O-CB 3.18Å; K365-N369 PolarHBondContact O-N 2.88Å; V366-N369 PolarHBondContact O-N 3.29Å; A367-N369 PolarHBondContact O-N 3.44Å; N369-K371 VanDerWaalsContact C-N 3.26Å; N369-K371 PolarHBondContact O-N 2.94Å; N369-I372 PolarHBondContact O-N 2.93Å; N369-S373 PolarHBondContact O-N 3.01Å; N369-S373 PolarHBondContact O-OG 3.26Å
370A83.4Confident86.3Confident53 Ų5370.7 Ų70.744%0.43839%0.392SS..Hα-helixtrans-58.9-40.5174.500000111V366 A367 K374V366-A370 WeakPolarHBondContact O-CB 3.32Å; V366-A370 PolarHBondContact O-N 3.45Å; A367-A370 PolarHBondContact O-N 3.29Å; A370-K374 VanDerWaalsContact O-CB 3.22Å; A370-K374 WeakPolarHBondContact O-CB 3.49Å; A370-K374 PolarHBondContact O-N 2.99Å
371K86.3Confident86Confident168 Ų16871.2 Ų71.273%0.7339%0.393SS*.Hα-helixtrans-61.9-44.6175.4-168.5179.8-179.4-1790112.5A367 A368 N369 K374 A375A367-K371 PolarHBondContact O-N 3.01Å; A368-K371 WeakPolarHBondContact O-CB 3.25Å; A368-K371 PolarHBondContact O-N 2.98Å; N369-K371 VanDerWaalsContact C-N 3.26Å; N369-K371 PolarHBondContact O-N 2.94Å; K371-K374 PolarHBondContact O-N 3.42Å; K371-A375 PolarHBondContact O-N 3.45Å
372I85.2Confident86Confident63 Ų6373.9 Ų73.932%0.32341%0.409SS..Hα-helixtrans-64.8-49.3178.3-65.6166.6000110.8A368 N369 K374 A375 L376 K576A368-I372 WeakPolarHBondContact O-CG1 3.11Å; A368-I372 PolarHBondContact O-N 2.85Å; A368-I372 VanDerWaalsContact O-N 3.16Å; N369-I372 PolarHBondContact O-N 2.93Å; I372-K374 VanDerWaalsContact C-N 3.27Å; I372-K374 PolarHBondContact O-N 2.86Å; I372-A375 PolarHBondContact O-N 3.36Å; I372-A375 VanDerWaalsContact O-N 3.15Å; I372-L376 HydrophobicContact CG2-CD1 4.23Å; I372-L376 PolarHBondContact O-N 3.12Å; I372-K576 HydrophobicContact CG2-CD 4.01Å
373S84.6Confident86.1Confident16 Ų1676.9 Ų76.911%0.11243%0.429CS..Hα-helixtrans-61.2-38.9178.9-68.20000111.3N369 L376 A377 K576N369-S373 PolarHBondContact O-N 3.01Å; N369-S373 PolarHBondContact O-OG 3.26Å; S373-L376 PolarHBondContact O-N 3.34Å; S373-A377 VanDerWaalsContact O-CB 3.22Å; S373-A377 WeakPolarHBondContact O-CB 3.32Å; S373-A377 PolarHBondContact O-N 2.9Å; S373-K576 PolarHBondContact OG-NZ 3.02Å; S373-K576 VanDerWaalsContact OG-NZ 3.12Å
374K86.7Confident86.3Confident136 Ų13670.3 Ų70.359%0.59140%0.404SS*.Hα-helixtrans-64.1-39.7174.4-172.9174.2-178.1177.90112.5A370 K371 I372 A377 L378A370-K374 VanDerWaalsContact O-CB 3.22Å; A370-K374 WeakPolarHBondContact O-CB 3.49Å; A370-K374 PolarHBondContact O-N 2.99Å; K371-K374 PolarHBondContact O-N 3.42Å; I372-K374 VanDerWaalsContact C-N 3.27Å; I372-K374 PolarHBondContact O-N 2.86Å; K374-A377 PolarHBondContact O-N 2.86Å; K374-L378 HydrophobicContact CG-CD1 3.85Å; K374-L378 HydrophobicContact CG-CG 4.44Å; K374-L378 WeakPolarHBondContact O-CB 3.2Å; K374-L378 VanDerWaalsContact O-CG 3.3Å; K374-L378 WeakPolarHBondContact O-CG 3.46Å; K374-L378 PolarHBondContact O-N 3.33Å; K374-L378 VanDerWaalsContact O-N 3.11Å
375A88.3Confident86.6Confident68 Ų6864.2 Ų64.256%0.56238%0.378SS*.Hα-helixtrans-64.5-41.917700000112.2K371 I372K371-A375 PolarHBondContact O-N 3.45Å; I372-A375 PolarHBondContact O-N 3.36Å; I372-A375 VanDerWaalsContact O-N 3.15Å
376L86Confident87.1Confident52 Ų5261 Ų6127%0.27236%0.364SS..Hα-helixtrans-67.4-40.5175.9-68.5169.2000112.1I372 S373 L378 K379 N385 Y387 T388 K576I372-L376 HydrophobicContact CG2-CD1 4.23Å; I372-L376 PolarHBondContact O-N 3.12Å; S373-L376 PolarHBondContact O-N 3.34Å; L376-L378 VanDerWaalsContact C-N 3.29Å; L376-L378 PolarHBondContact O-N 2.74Å; L376-K379 WeakPolarHBondContact O-CB 3.32Å; L376-K379 PolarHBondContact O-N 2.88Å; L376-N385 PolarHBondContact O-ND2 2.88Å; L376-Y387 HydrophobicContact CB-CD1 4.18Å; L376-Y387 HydrophobicContact CB-CD2 3.96Å; L376-Y387 HydrophobicContact CB-CG 3.69Å; L376-Y387 HydrophobicContact CD1-CD1 4.16Å; L376-Y387 HydrophobicContact CD1-CD2 3.95Å; L376-Y387 HydrophobicContact CD1-CE1 4.06Å; L376-Y387 HydrophobicContact CD1-CE2 3.88Å; L376-Y387 HydrophobicContact CD1-CG 4.12Å; L376-Y387 HydrophobicContact CG-CD2 4.49Å; L376-T388 PolarHBondContact O-OG1 2.89Å; L376-K576 HydrophobicContact CD1-CB 3.81Å; L376-K576 HydrophobicContact CD1-CD 4.28Å
377A87Confident87.5Confident1 Ų159.4 Ų59.41%0.00835%0.354CS..Hα-helixtrans-63.2-31.7178.200000114S373 K374 K379 T388 H391 M417S373-A377 VanDerWaalsContact O-CB 3.22Å; S373-A377 WeakPolarHBondContact O-CB 3.32Å; S373-A377 PolarHBondContact O-N 2.9Å; K374-A377 PolarHBondContact O-N 2.86Å; A377-K379 VanDerWaalsContact C-N 3.34Å; A377-T388 WeakPolarHBondContact O-CA 3.38Å; A377-T388 PolarHBondContact O-OG1 2.96Å; A377-H391 HydrophobicContact CB-CB 3.55Å; A377-M417 HydrophobicContact CB-CE 4.31Å
378L88.6Confident87.9Confident106 Ų10656.8 Ų56.856%0.55533%0.332SS*.THydrogen-bonded Turntrans-9510.2-178.8-63.3175.2000112.8K374 L376 G380K374-L378 HydrophobicContact CG-CD1 3.85Å; K374-L378 HydrophobicContact CG-CG 4.44Å; K374-L378 WeakPolarHBondContact O-CB 3.2Å; K374-L378 VanDerWaalsContact O-CG 3.3Å; K374-L378 WeakPolarHBondContact O-CG 3.46Å; K374-L378 PolarHBondContact O-N 3.33Å; K374-L378 VanDerWaalsContact O-N 3.11Å; L376-L378 VanDerWaalsContact C-N 3.29Å; L376-L378 PolarHBondContact O-N 2.74Å; L378-G380 PolarHBondContact O-N 2.97Å; L378-G380 VanDerWaalsContact O-N 3.14Å
379K84.1Confident88.4Confident114 Ų11454.7 Ų54.750%0.49631%0.314SS..  trans-73.5104174.1-166.5-176.8179.8-166.90108.3L376 A377 T381 T388L376-K379 WeakPolarHBondContact O-CB 3.32Å; L376-K379 PolarHBondContact O-N 2.88Å; A377-K379 VanDerWaalsContact C-N 3.34Å; K379-T381 HydrophobicContact CD-CG2 4.26Å; K379-T381 HydrophobicContact CG-CG2 3.95Å; K379-T381 PolarHBondContact O-N 2.89Å; K379-T388 PolarHBondContact O-OG1 2.86Å
380G78.5Confident89.1Confident84 Ų8454.6 Ų54.687%0.86631%0.314SS*.  trans-76.835.7179.200000114.4L378L378-G380 PolarHBondContact O-N 2.97Å; L378-G380 VanDerWaalsContact O-N 3.14Å
381T85.4Confident89.6Confident61 Ų6153.8 Ų53.837%0.37430%0.301SS..  trans-85.5142.8176.450.40000110.9K379 P383K379-T381 HydrophobicContact CD-CG2 4.26Å; K379-T381 HydrophobicContact CG-CG2 3.95Å; K379-T381 PolarHBondContact O-N 2.89Å; T381-P383 CarbonylContact C-O 3.08Å; T381-P383 CarbonylContact O-C 3.56Å; T381-P383 VanDerWaalsContact O-O 3.07Å
382L89Confident90.1Very high119 Ų11947.1 Ų47.162%0.62327%0.272SS*.SBendtrans-109.3139.2168.3-67.1176.5000109.6M384 R543 T544L382-M384 HydrophobicContact CD2-CG 4.19Å; L382-R543 WeakPolarHBondContact CD2-O 3.47Å; L382-T544 HydrophobicContact CD1-CG2 4.32Å; L382-T544 HydrophobicContact CD2-CG2 4.3Å
383P92Very high90.6Very high70 Ų7044.1 Ų44.146%0.45526%0.257SS..SBendcis-59.8156.5-9.3-22.134.6000113.3T381 D570T381-P383 CarbonylContact C-O 3.08Å; T381-P383 CarbonylContact O-C 3.56Å; T381-P383 VanDerWaalsContact O-O 3.07Å; P383-D570 HydrophobicContact CB-CB 4.19Å
384M95.4Very high91.2Very high3 Ų345.6 Ų45.62%0.01527%0.267CS..BIsolated β-bridgetrans-64.5158.4-179.1-69-171.7-73.300111.6L382 T388 V389 V542 T544 A545 V567 I569 D570L382-M384 HydrophobicContact CD2-CG 4.19Å; M384-T388 HydrophobicContact CG-CG2 4.28Å; M384-T388 HydrophobicContact SD-CG2 4.14Å; M384-V389 HydrophobicContact CB-CG2 4.02Å; M384-V389 HydrophobicContact CE-CG2 4Å; M384-V389 HydrophobicContact SD-CG2 4.17Å; M384-V542 HydrophobicContact CE-CG1 4.29Å; M384-T544 WeakPolarHBondContact CE-O 3.45Å; M384-A545 HydrophobicContact SD-CB 4.08Å; M384-A545 PolarHBondContact SD-N 3.48Å; M384-V567 HydrophobicContact CE-CG1 3.61Å; M384-I569 HydrophobicContact CB-CG2 4.37Å; M384-I569 CarbonylContact O-C 3.53Å; M384-I569 VanDerWaalsContact O-CA 3.27Å; M384-I569 WeakPolarHBondContact O-CA 3.38Å; M384-I569 WeakPolarHBondContact O-CB 3.47Å; M384-D570 PolarHBondContact O-N 3.1Å
385N94.2Very high91.5Very high16 Ų1643.9 Ų43.99%0.08626%0.261CS..PPolyproline II helixtrans-102.9165.8168.971.568.7000111.1L376 Y387 T388 V389 S573L376-N385 PolarHBondContact O-ND2 2.88Å; N385-Y387 VanDerWaalsContact C-N 3.27Å; N385-Y387 PolarHBondContact O-N 3.33Å; N385-Y387 WeakPolarHBondContact OD1-CA 3.5Å; N385-Y387 VanDerWaalsContact OD1-CB 3.27Å; N385-Y387 WeakPolarHBondContact OD1-CB 3.23Å; N385-Y387 PolarHBondContact OD1-N 2.88Å; N385-T388 PolarHBondContact ND2-OG1 3.32Å; N385-T388 VanDerWaalsContact ND2-OG1 3.1Å; N385-T388 PolarHBondContact O-N 3.25Å; N385-T388 VanDerWaalsContact O-N 3.15Å; N385-T388 PolarHBondContact OD1-N 3.49Å; N385-V389 PolarHBondContact O-N 3.23Å; N385-V389 VanDerWaalsContact O-N 3.14Å; N385-S573 WeakPolarHBondContact CA-OG 3.5Å; N385-S573 VanDerWaalsContact CB-OG 3.28Å; N385-S573 WeakPolarHBondContact CB-OG 3.37Å
386Y94.4Very high91.9Very high3 Ų342.3 Ų42.31%0.01224%0.243CC..Hα-helixtrans-51.1-40.5178.4-74.6-80.3000114.4V389 F390 N409 I413 V490 N492 I569 S573Y386-V389 PolarHBondContact O-N 3.26Å; Y386-F390 HydrophobicContact CD1-CE2 4Å; Y386-F390 HydrophobicContact CD1-CZ 4.31Å; Y386-F390 WeakPolarHBondContact O-CD2 3.45Å; Y386-F390 WeakPolarHBondContact O-CG 3.48Å; Y386-F390 PolarHBondContact O-N 2.98Å; Y386-N409 HydrophobicContact CE1-CB 4.23Å; Y386-N409 HydrophobicContact CE2-CB 3.94Å; Y386-I413 HydrophobicContact CD1-CD1 4.28Å; Y386-I413 HydrophobicContact CD2-CD1 3.73Å; Y386-I413 HydrophobicContact CE2-CD1 4.46Å; Y386-I413 HydrophobicContact CG-CD1 3.63Å; Y386-V490 HydrophobicContact CD1-CG1 3.64Å; Y386-V490 HydrophobicContact CE1-CB 4.33Å; Y386-V490 HydrophobicContact CE1-CG1 3.52Å; Y386-N492 PolarHBondContact OH-ND2 2.9Å; Y386-I569 HydrophobicContact CD1-CD1 3.84Å; Y386-I569 HydrophobicContact CD2-CD1 3.76Å; Y386-I569 HydrophobicContact CE1-CD1 3.54Å; Y386-I569 HydrophobicContact CE2-CD1 3.44Å; Y386-I569 VanDerWaalsContact CE2-CD1 3.44Å; Y386-I569 HydrophobicContact CG-CD1 3.94Å; Y386-S573 WeakPolarHBondContact CD2-OG 3.22Å; Y386-S573 VanDerWaalsContact CE2-O 3.32Å; Y386-S573 WeakPolarHBondContact CE2-O 3.48Å; Y386-S573 PolarHBondContact N-OG 3.14Å
387Y94.3Very high92.4Very high6 Ų641 Ų412%0.02424%0.236CC..Hα-helixtrans-70.4-38.2-177.2-62-95.1000111.7L376 N385 H391 I413 M417 K576L376-Y387 HydrophobicContact CB-CD1 4.18Å; L376-Y387 HydrophobicContact CB-CD2 3.96Å; L376-Y387 HydrophobicContact CB-CG 3.69Å; L376-Y387 HydrophobicContact CD1-CD1 4.16Å; L376-Y387 HydrophobicContact CD1-CD2 3.95Å; L376-Y387 HydrophobicContact CD1-CE1 4.06Å; L376-Y387 HydrophobicContact CD1-CE2 3.88Å; L376-Y387 HydrophobicContact CD1-CG 4.12Å; L376-Y387 HydrophobicContact CG-CD2 4.49Å; N385-Y387 VanDerWaalsContact C-N 3.27Å; N385-Y387 PolarHBondContact O-N 3.33Å; N385-Y387 WeakPolarHBondContact OD1-CA 3.5Å; N385-Y387 VanDerWaalsContact OD1-CB 3.27Å; N385-Y387 WeakPolarHBondContact OD1-CB 3.23Å; N385-Y387 PolarHBondContact OD1-N 2.88Å; Y387-H391 WeakPolarHBondContact O-CB 3.28Å; Y387-H391 PolarHBondContact O-N 3.47Å; Y387-I413 HydrophobicContact CD1-CG2 4.17Å; Y387-I413 HydrophobicContact CE1-CG2 3.83Å; Y387-I413 HydrophobicContact CE2-CD1 4.32Å; Y387-I413 HydrophobicContact CE2-CG2 4.17Å; Y387-I413 HydrophobicContact CG-CG2 4.48Å; Y387-M417 HydrophobicContact CD1-CE 4.4Å; Y387-M417 HydrophobicContact CD1-CG 4.24Å; Y387-M417 HydrophobicContact CD1-SD 3.92Å; Y387-K576 HydrophobicContact CE1-CD 4.37Å; Y387-K576 WeakPolarHBondContact OH-CG 3.48Å; Y387-K576 PolarHBondContact OH-N 3.28Å
388T95.1Very high92.9Very high7 Ų743 Ų434%0.04325%0.249CC..Hα-helixtrans-62.1-48.1174.3-55.10000110.2L376 A377 K379 M384 N385 H391 H392L376-T388 PolarHBondContact O-OG1 2.89Å; A377-T388 WeakPolarHBondContact O-CA 3.38Å; A377-T388 PolarHBondContact O-OG1 2.96Å; K379-T388 PolarHBondContact O-OG1 2.86Å; M384-T388 HydrophobicContact CG-CG2 4.28Å; M384-T388 HydrophobicContact SD-CG2 4.14Å; N385-T388 PolarHBondContact ND2-OG1 3.32Å; N385-T388 VanDerWaalsContact ND2-OG1 3.1Å; N385-T388 PolarHBondContact O-N 3.25Å; N385-T388 VanDerWaalsContact O-N 3.15Å; N385-T388 PolarHBondContact OD1-N 3.49Å; T388-H391 PolarHBondContact O-N 2.91Å; T388-H392 PolarHBondContact O-CD2 2.9Å; T388-H392 PolarHBondContact O-N 3.27Å
389V96.5Very high93.2Very high0 Ų044.2 Ų44.20%025%0.246CC..Hα-helixtrans-59.3-54.3178173.50000111.3M384 N385 Y386 H391 H392 I393 V490 L548 V567 I569M384-V389 HydrophobicContact CB-CG2 4.02Å; M384-V389 HydrophobicContact CE-CG2 4Å; M384-V389 HydrophobicContact SD-CG2 4.17Å; N385-V389 PolarHBondContact O-N 3.23Å; N385-V389 VanDerWaalsContact O-N 3.14Å; Y386-V389 PolarHBondContact O-N 3.26Å; V389-H391 VanDerWaalsContact C-N 3.28Å; V389-H391 PolarHBondContact O-N 2.7Å; V389-H392 PolarHBondContact O-N 3.32Å; V389-I393 HydrophobicContact CG1-CD1 3.62Å; V389-I393 HydrophobicContact CG1-CG1 4.48Å; V389-I393 WeakPolarHBondContact O-CG1 3.39Å; V389-I393 PolarHBondContact O-N 3.08Å; V389-V490 HydrophobicContact CG1-CG2 4.27Å; V389-L548 HydrophobicContact CB-CD2 4.4Å; V389-L548 HydrophobicContact CG1-CD2 4.04Å; V389-V567 HydrophobicContact CG1-CG1 4.07Å; V389-V567 HydrophobicContact CG2-CG1 3.68Å; V389-I569 HydrophobicContact CG2-CG2 3.57Å
390F96.2Very high93.7Very high0 Ų041 Ų410%023%0.234CC..Hα-helixtrans-67.4-28.2-178.6-65.4-43.6000113.6Y386 I393 S394 T410 I413 M417 L418 V461 V490Y386-F390 HydrophobicContact CD1-CE2 4Å; Y386-F390 HydrophobicContact CD1-CZ 4.31Å; Y386-F390 WeakPolarHBondContact O-CD2 3.45Å; Y386-F390 WeakPolarHBondContact O-CG 3.48Å; Y386-F390 PolarHBondContact O-N 2.98Å; F390-I393 HydrophobicContact CD1-CD1 4.13Å; F390-S394 WeakPolarHBondContact O-CB 3.45Å; F390-S394 PolarHBondContact O-N 3.13Å; F390-S394 PolarHBondContact O-OG 3.35Å; F390-T410 HydrophobicContact CE1-CG2 4.41Å; F390-T410 HydrophobicContact CZ-CG2 3.85Å; F390-T410 VanDerWaalsContact CZ-O 3.28Å; F390-T410 WeakPolarHBondContact CZ-O 3.3Å; F390-I413 HydrophobicContact CD2-CB 4.28Å; F390-I413 HydrophobicContact CD2-CG2 3.76Å; F390-I413 HydrophobicContact CE2-CB 3.9Å; F390-I413 HydrophobicContact CE2-CG2 3.88Å; F390-M417 HydrophobicContact CB-CB 3.53Å; F390-M417 HydrophobicContact CB-CG 4.08Å; F390-M417 HydrophobicContact CD2-CB 4.32Å; F390-M417 HydrophobicContact CD2-CG 4.42Å; F390-M417 HydrophobicContact CG-CB 4.21Å; F390-L418 HydrophobicContact CB-CD2 4.35Å; F390-L418 HydrophobicContact CD1-CD1 4.07Å; F390-L418 HydrophobicContact CD1-CD2 4.3Å; F390-L418 HydrophobicContact CD1-CG 4.27Å; F390-L418 HydrophobicContact CE1-CD1 4.33Å; F390-V461 HydrophobicContact CE1-CG1 3.6Å; F390-V461 HydrophobicContact CZ-CG1 4.31Å; F390-V490 HydrophobicContact CE1-CG2 4.04Å; F390-V490 HydrophobicContact CZ-CG2 4.24Å
391H94.9Very high94.6Very high36 Ų3637.3 Ų37.317%0.16720%0.195CC..Hα-helixtrans-61-51.7173.3176.464000111.2A377 Y387 T388 V389 I393 S394 Q395 M417A377-H391 HydrophobicContact CB-CB 3.55Å; Y387-H391 WeakPolarHBondContact O-CB 3.28Å; Y387-H391 PolarHBondContact O-N 3.47Å; T388-H391 PolarHBondContact O-N 2.91Å; V389-H391 VanDerWaalsContact C-N 3.28Å; V389-H391 PolarHBondContact O-N 2.7Å; H391-I393 PolarHBondContact O-N 3.47Å; H391-S394 PolarHBondContact O-N 3.01Å; H391-S394 PolarHBondContact O-OG 2.96Å; H391-Q395 PolarHBondContact CE1-NE2 2.91Å; H391-Q395 PolarHBondContact NE2-NE2 3.13Å; H391-Q395 WeakPolarHBondContact O-CG 3.43Å; H391-Q395 PolarHBondContact O-N 3.37Å; H391-M417 HydrophobicContact CB-CE 4.27Å
392H95.6Very high95.2Very high28 Ų2834.6 Ų34.613%0.1318%0.179CC..Hα-helixtrans-65.5-39179.3-70.3-54.9000112.8T388 V389 Q395 A545 L548 R549T388-H392 PolarHBondContact O-CD2 2.9Å; T388-H392 PolarHBondContact O-N 3.27Å; V389-H392 PolarHBondContact O-N 3.32Å; H392-Q395 PolarHBondContact O-N 2.98Å; H392-A545 WeakPolarHBondContact NE2-CB 3.28Å; H392-L548 HydrophobicContact CB-CD2 3.95Å; H392-L548 HydrophobicContact CB-CG 4.5Å; H392-R549 HydrophobicContact CB-CG 4.21Å; H392-R549 PolarHBondContact ND1-NH1 2.92Å
393I96.9Very high95.7Very high0 Ų029 Ų290%015%0.149CC..Hα-helixtrans-59-53172.4-67.1167.3000110.1V389 F390 H391 Q395 L396 L397 L418 I488 L548 L552V389-I393 HydrophobicContact CG1-CD1 3.62Å; V389-I393 HydrophobicContact CG1-CG1 4.48Å; V389-I393 WeakPolarHBondContact O-CG1 3.39Å; V389-I393 PolarHBondContact O-N 3.08Å; F390-I393 HydrophobicContact CD1-CD1 4.13Å; H391-I393 PolarHBondContact O-N 3.47Å; I393-Q395 PolarHBondContact O-N 3.05Å; I393-Q395 VanDerWaalsContact O-N 3.11Å; I393-L396 PolarHBondContact O-N 3.43Å; I393-L397 HydrophobicContact CG2-CD1 3.69Å; I393-L397 HydrophobicContact CG2-CD2 4.03Å; I393-L397 HydrophobicContact CG2-CG 3.7Å; I393-L397 WeakPolarHBondContact O-CG 3.33Å; I393-L397 PolarHBondContact O-N 2.8Å; I393-L418 HydrophobicContact CB-CD2 4.41Å; I393-L418 HydrophobicContact CG2-CD2 3.91Å; I393-I488 HydrophobicContact CD1-CD1 3.84Å; I393-I488 HydrophobicContact CD1-CG2 3.89Å; I393-I488 HydrophobicContact CG1-CD1 4.03Å; I393-I488 HydrophobicContact CG2-CD1 4.23Å; I393-L548 HydrophobicContact CG1-CD1 4.35Å; I393-L548 HydrophobicContact CG1-CD2 4.32Å; I393-L552 HydrophobicContact CB-CD2 4.35Å; I393-L552 HydrophobicContact CG1-CD2 4.18Å; I393-L552 HydrophobicContact CG2-CD2 4.36Å
394S95.1Very high96Very high47 Ų4725.7 Ų25.733%0.32913%0.128SC..Hα-helixtrans-59.2-27.8-175.772.30000114.3F390 H391 L396F390-S394 WeakPolarHBondContact O-CB 3.45Å; F390-S394 PolarHBondContact O-N 3.13Å; F390-S394 PolarHBondContact O-OG 3.35Å; H391-S394 PolarHBondContact O-N 3.01Å; H391-S394 PolarHBondContact O-OG 2.96Å; S394-L396 VanDerWaalsContact C-N 3.33Å
395Q94.9Very high96Very high101 Ų10125.6 Ų25.647%0.47213%0.127SC..Hα-helixtrans-73.7-24.4177.4-74.1-177.4-32.600113.4H391 H392 I393H391-Q395 PolarHBondContact CE1-NE2 2.91Å; H391-Q395 PolarHBondContact NE2-NE2 3.13Å; H391-Q395 WeakPolarHBondContact O-CG 3.43Å; H391-Q395 PolarHBondContact O-N 3.37Å; H392-Q395 PolarHBondContact O-N 2.98Å; I393-Q395 PolarHBondContact O-N 3.05Å; I393-Q395 VanDerWaalsContact O-N 3.11Å
396L96.8Very high96Very high34 Ų3424.9 Ų24.918%0.17812%0.123CC..Hα-helixtrans-105.6-24.1-173.2-63.9176.3000112.7I393 S394 R549 L552 Q553 L556I393-L396 PolarHBondContact O-N 3.43Å; S394-L396 VanDerWaalsContact C-N 3.33Å; L396-R549 HydrophobicContact CD1-CB 4.13Å; L396-R549 HydrophobicContact CD1-CG 4.16Å; L396-L552 HydrophobicContact CB-CD2 3.94Å; L396-L552 HydrophobicContact CB-CG 4.38Å; L396-L552 HydrophobicContact CD1-CB 4.18Å; L396-L552 HydrophobicContact CD1-CD2 4Å; L396-L552 HydrophobicContact CD1-CG 4.24Å; L396-Q553 HydrophobicContact CD1-CG 4Å; L396-Q553 HydrophobicContact CD2-CG 3.89Å; L396-L556 HydrophobicContact CB-CD1 4.08Å; L396-L556 VanDerWaalsContact O-CD1 3.27Å; L396-L556 WeakPolarHBondContact O-CD1 3.37Å
397L96.4Very high95.8Very high25 Ų2525.1 Ų25.113%0.13113%0.127CC..SBendtrans-60132-178.5-72.4-172.1000112I393 I403 L418 V459I393-L397 HydrophobicContact CG2-CD1 3.69Å; I393-L397 HydrophobicContact CG2-CD2 4.03Å; I393-L397 HydrophobicContact CG2-CG 3.7Å; I393-L397 WeakPolarHBondContact O-CG 3.33Å; I393-L397 PolarHBondContact O-N 2.8Å; L397-I403 HydrophobicContact CD1-CD1 3.85Å; L397-I403 HydrophobicContact CD1-CG1 4.35Å; L397-L418 HydrophobicContact CD1-CD2 4.24Å; L397-V459 HydrophobicContact CD2-CB 4.28Å; L397-V459 HydrophobicContact CD2-CG1 4.12Å; L397-V459 HydrophobicContact CD2-CG2 3.76Å
398P96Very high95.6Very high42 Ų4226.3 Ų26.327%0.27314%0.138SC..  trans-56.6140.5168.8-23.633.3000110.8D400 C401 R457 L556P398-D400 PolarHBondContact O-N 3.49Å; P398-D400 VanDerWaalsContact O-N 3.16Å; P398-C401 HydrophobicContact CB-CB 4.24Å; P398-C401 HydrophobicContact CG-CB 4.49Å; P398-C401 WeakPolarHBondContact O-CB 3.15Å; P398-C401 PolarHBondContact O-N 3.34Å; P398-C401 VanDerWaalsContact O-N 3.12Å; P398-C401 PolarHBondContact O-SG 3.31Å; P398-R457 HydrophobicContact CG-CB 4.42Å; P398-R457 HydrophobicContact CG-CG 4.36Å; P398-L556 HydrophobicContact CG-CD2 3.94Å
399R95.1Very high95.4Very high133 Ų13326.7 Ų26.750%0.50214%0.14SC..THydrogen-bonded Turntrans-61.7-26.3-178.1-165.2178.6171.592-0.5112.6D263 Y421D263-R399 VanDerWaalsContact CG-NH2 3.29Å; D263-R399 IonicContact OD1-NH2 2.75Å; D263-R399 PolarHBondContact OD1-NH2 2.93Å; D263-R399 IonicContact OD2-CZ 2.6Å; D263-R399 VanDerWaalsContact OD2-CZ 3.24Å; D263-R399 IonicContact OD2-NH1 3.03Å; D263-R399 PolarHBondContact OD2-NH1 2.94Å; D263-R399 IonicContact OD2-NH2 3.24Å; D263-R399 PolarHBondContact OD2-NH2 3.23Å; R399-Y421 HydrophobicContact CB-CD2 4.26Å; R399-Y421 HydrophobicContact CG-CD1 4.2Å; R399-Y421 HydrophobicContact CG-CD2 3.31Å; R399-Y421 HydrophobicContact CG-CE2 3.75Å; R399-Y421 HydrophobicContact CG-CG 3.52Å; R399-Y421 VanDerWaalsContact CZ-CE1 3.49Å; R399-Y421 VanDerWaalsContact O-CD2 3.23Å; R399-Y421 WeakPolarHBondContact O-CD2 3.43Å
400D95.8Very high95.3Very high46 Ų4626.9 Ų26.925%0.24614%0.141CC..THydrogen-bonded Turntrans-102.814.3-17964.1-16.6000113.5P398 L422 H425 Q456P398-D400 PolarHBondContact O-N 3.49Å; P398-D400 VanDerWaalsContact O-N 3.16Å; D400-L422 HydrophobicContact CB-CD1 3.68Å; D400-H425 PolarHBondContact O-CD2 3.5Å; D400-H425 VanDerWaalsContact O-CD2 3.23Å; D400-Q456 WeakPolarHBondContact O-CB 3.27Å; D400-Q456 VanDerWaalsContact O-CD 3.3Å; D400-Q456 WeakPolarHBondContact O-CG 3.41Å; D400-Q456 PolarHBondContact O-NE2 3.17Å
401C97Very high95.1Very high7 Ų727.7 Ų27.75%0.04715%0.145CC..  trans-71.1149.3177.271.90000112.6P398 R457P398-C401 HydrophobicContact CB-CB 4.24Å; P398-C401 HydrophobicContact CG-CB 4.49Å; P398-C401 WeakPolarHBondContact O-CB 3.15Å; P398-C401 PolarHBondContact O-N 3.34Å; P398-C401 VanDerWaalsContact O-N 3.12Å; P398-C401 PolarHBondContact O-SG 3.31Å; C401-R457 CarbonylContact C-O 3.6Å; C401-R457 VanDerWaalsContact CA-O 3.31Å; C401-R457 WeakPolarHBondContact CA-O 3.12Å; C401-R457 HydrophobicContact CB-CB 4.08Å; C401-R457 WeakPolarHBondContact CB-O 3.44Å
402I98.3Very high94.8Very high4 Ų428.2 Ų28.22%0.02115%0.149CC..EExtended strand (participates in β ladder)trans-85.7125.2167.3-58.8173.8000107.6H425 L427 A445 E449 R457 V458 V459I402-H425 CarbonylContact C-O 3.55Å; I402-H425 WeakPolarHBondContact CA-O 3.3Å; I402-H425 HydrophobicContact CG1-CB 4.44Å; I402-L427 HydrophobicContact CG2-CD1 4.36Å; I402-A445 HydrophobicContact CD1-CB 4.19Å; I402-A445 HydrophobicContact CG2-CB 4.15Å; I402-E449 HydrophobicContact CD1-CG 3.74Å; I402-E449 WeakPolarHBondContact CD1-OE1 3.34Å; I402-R457 PolarHBondContact N-O 2.94Å; I402-V458 HydrophobicContact CB-CG2 4.36Å; I402-V458 HydrophobicContact CD1-CG2 4.4Å; I402-V458 WeakPolarHBondContact O-CA 3.47Å; I402-V459 PolarHBondContact O-N 2.91Å
403I98.4Very high94.5Very high1 Ų126.9 Ų26.91%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-108.3112.8177.3-55.2177000108.2L397 L418 H425 R426 L427 V459 V461L397-I403 HydrophobicContact CD1-CD1 3.85Å; L397-I403 HydrophobicContact CD1-CG1 4.35Å; I403-L418 HydrophobicContact CD1-CB 4.15Å; I403-L418 HydrophobicContact CG2-CD1 4.37Å; I403-H425 PolarHBondContact N-O 3.23Å; I403-R426 WeakPolarHBondContact O-CA 3.33Å; I403-L427 PolarHBondContact O-N 3.21Å; I403-V459 WeakPolarHBondContact CA-O 3.36Å; I403-V461 HydrophobicContact CG2-CG2 4.38Å
404V98.3Very high94.2Very high0 Ų026.9 Ų26.90%014%0.143CC..EExtended strand (participates in β ladder)trans-90.6133.7163.9-171.80000107.5L427 G438 F441 A442 V458 V459 C460 V461V404-L427 CarbonylContact C-O 3.57Å; V404-L427 VanDerWaalsContact CA-O 3.3Å; V404-L427 WeakPolarHBondContact CA-O 3.34Å; V404-L427 HydrophobicContact CG1-CB 4.37Å; V404-L427 HydrophobicContact CG2-CB 4.18Å; V404-L427 HydrophobicContact CG2-CD1 4.14Å; V404-G438 WeakPolarHBondContact CG1-O 3.33Å; V404-F441 HydrophobicContact CG1-CB 3.89Å; V404-F441 HydrophobicContact CG2-CB 4.41Å; V404-A442 HydrophobicContact CG2-CB 4.05Å; V404-V458 HydrophobicContact CG2-CG1 4.25Å; V404-V459 PolarHBondContact N-O 2.66Å; V404-C460 HydrophobicContact CB-CB 4.41Å; V404-V461 PolarHBondContact O-N 2.77Å
405S95.6Very high93.9Very high1 Ų126 Ų261%0.00713%0.132CC..EExtended strand (participates in β ladder)trans-143.9129.9-176.3-175.50000112.4R426 L427 D428 V461S405-R426 PolarHBondContact OG-NH2 3.13Å; S405-R426 VanDerWaalsContact OG-NH2 3.14Å; S405-L427 PolarHBondContact N-O 3.37Å; S405-D428 VanDerWaalsContact O-CA 3.24Å; S405-D428 WeakPolarHBondContact O-CA 3.41Å; S405-D428 VanDerWaalsContact O-CB 3.23Å; S405-D428 WeakPolarHBondContact O-CB 3.31Å; S405-V461 VanDerWaalsContact CA-O 3.3Å; S405-V461 WeakPolarHBondContact CA-O 3.48Å
406E93.8Very high93.5Very high1 Ų123.3 Ų23.31%0.00512%0.123CC..  trans-141.9177.5-177.8-142.3-158.610800112.5T410 M411 M435 G436 V437 G438 V461 E462 A466E406-T410 WeakPolarHBondContact O-CB 3.4Å; E406-M411 PolarHBondContact O-N 3.44Å; E406-M435 WeakPolarHBondContact OE1-CA 3.45Å; E406-M435 WeakPolarHBondContact OE1-CB 3.38Å; E406-G436 PolarHBondContact OE1-N 3.11Å; E406-G436 WeakPolarHBondContact OE2-CA 3.48Å; E406-G436 PolarHBondContact OE2-N 3.28Å; E406-V437 HydrophobicContact CG-CG2 4.06Å; E406-V437 WeakPolarHBondContact OE2-CG2 3.33Å; E406-V437 PolarHBondContact OE2-N 3.2Å; E406-G438 WeakPolarHBondContact OE2-CA 3.33Å; E406-G438 PolarHBondContact OE2-N 2.8Å; E406-V461 PolarHBondContact N-O 2.99Å; E406-E462 WeakPolarHBondContact CB-OE2 3.41Å; E406-A466 HydrophobicContact CB-CB 4.05Å; E406-A466 HydrophobicContact CG-CB 4.21Å; E406-A466 WeakPolarHBondContact OE1-CB 3.06Å
407G91.3Very high93.2Very high9 Ų923 Ų239%0.09312%0.12CC..SBendtrans92.4-179.4-172.300000112.9M411G407-M411 WeakPolarHBondContact O-CB 3.22Å; G407-M411 WeakPolarHBondContact O-CE 3.33Å
408A89.1Confident93.1Very high30 Ų3021.8 Ų21.825%0.24811%0.114CC..SBendtrans-86.5-85176.900000110.7T410 M411 D412 Y496A408-T410 VanDerWaalsContact C-N 3.33Å; A408-T410 PolarHBondContact O-N 3.38Å; A408-M411 PolarHBondContact O-N 2.73Å; A408-D412 WeakPolarHBondContact O-CB 3.48Å; A408-D412 PolarHBondContact O-N 2.73Å; A408-Y496 HydrophobicContact CB-CD1 3.69Å; A408-Y496 HydrophobicContact CB-CE1 3.32Å; A408-Y496 HydrophobicContact CB-CG 4.43Å
409N90.9Very high93Very high16 Ų1622.9 Ų22.99%0.08612%0.118CC..Hα-helixtrans-60.6-40.8-179-78.5-17.8000112.3Y386 M411 D412 I413 Y496 D574Y386-N409 HydrophobicContact CE1-CB 4.23Å; Y386-N409 HydrophobicContact CE2-CB 3.94Å; N409-M411 PolarHBondContact O-N 3.07Å; N409-D412 PolarHBondContact O-N 3.49Å; N409-I413 HydrophobicContact CB-CD1 4.31Å; N409-I413 VanDerWaalsContact O-CB 3.31Å; N409-I413 WeakPolarHBondContact O-CB 3.49Å; N409-I413 VanDerWaalsContact O-CG1 3.28Å; N409-I413 WeakPolarHBondContact O-CG1 3.33Å; N409-I413 PolarHBondContact O-N 3.45Å; N409-Y496 PolarHBondContact ND2-O 3.15Å; N409-D574 PolarHBondContact ND2-OD1 2.9Å; N409-D574 PolarHBondContact OD1-OD1 2.84Å
410T93.8Very high93Very high3 Ų316.7 Ų16.72%0.01810%0.095CC..Hα-helixtrans-53.9-53.1174.8-53.80000111.8F390 E406 A408 G414 V461 G463 V490F390-T410 HydrophobicContact CE1-CG2 4.41Å; F390-T410 HydrophobicContact CZ-CG2 3.85Å; F390-T410 VanDerWaalsContact CZ-O 3.28Å; F390-T410 WeakPolarHBondContact CZ-O 3.3Å; E406-T410 WeakPolarHBondContact O-CB 3.4Å; A408-T410 VanDerWaalsContact C-N 3.33Å; A408-T410 PolarHBondContact O-N 3.38Å; T410-G414 VanDerWaalsContact O-CA 3.3Å; T410-G414 WeakPolarHBondContact O-CA 3.37Å; T410-G414 PolarHBondContact O-N 3.29Å; T410-V461 HydrophobicContact CG2-CG1 3.88Å; T410-G463 WeakPolarHBondContact OG1-CA 3.48Å; T410-V490 HydrophobicContact CG2-CB 4.08Å; T410-V490 HydrophobicContact CG2-CG2 3.92Å
411M92Very high93Very high17 Ų1717.1 Ų17.18%0.0849%0.093CC..Hα-helixtrans-67-46.4-179.8-175.1-176.254.900111.6E406 G407 A408 N409 G414 R415 D428 A429E406-M411 PolarHBondContact O-N 3.44Å; G407-M411 WeakPolarHBondContact O-CB 3.22Å; G407-M411 WeakPolarHBondContact O-CE 3.33Å; A408-M411 PolarHBondContact O-N 2.73Å; N409-M411 PolarHBondContact O-N 3.07Å; M411-G414 PolarHBondContact O-N 3.02Å; M411-R415 WeakPolarHBondContact O-CB 3.5Å; M411-R415 WeakPolarHBondContact O-CD 3.36Å; M411-R415 WeakPolarHBondContact O-CG 3.35Å; M411-R415 PolarHBondContact O-N 2.83Å; M411-R415 PolarHBondContact SD-NH2 3.18Å; M411-D428 HydrophobicContact CG-CB 4.44Å; M411-D428 HydrophobicContact SD-CB 3.97Å; M411-A429 HydrophobicContact CE-CB 4.39Å; M411-A429 HydrophobicContact SD-CB 3.9Å
412D88.6Confident93Very high47 Ų4719.8 Ų19.825%0.25111%0.107SC..Hα-helixtrans-69.7-41-173-104.820.3000113.4A408 N409 R415 R575A408-D412 WeakPolarHBondContact O-CB 3.48Å; A408-D412 PolarHBondContact O-N 2.73Å; N409-D412 PolarHBondContact O-N 3.49Å; D412-R415 IonicContact OD1-CZ 3.24Å; D412-R415 IonicContact OD1-NH1 3.74Å; D412-R415 PolarHBondContact OD1-NH1 3.18Å; D412-R575 IonicContact OD2-CZ 2.79Å; D412-R575 IonicContact OD2-NH1 3.16Å; D412-R575 PolarHBondContact OD2-NH1 2.88Å; D412-R575 IonicContact OD2-NH2 3.8Å
413I90.1Very high93Very high0 Ų020.3 Ų20.30%011%0.11CC..Hα-helixtrans-73.6-41.1173.2-57.5169000108.9Y386 Y387 F390 N409 R415 T416 M417 R575Y386-I413 HydrophobicContact CD1-CD1 4.28Å; Y386-I413 HydrophobicContact CD2-CD1 3.73Å; Y386-I413 HydrophobicContact CE2-CD1 4.46Å; Y386-I413 HydrophobicContact CG-CD1 3.63Å; Y387-I413 HydrophobicContact CD1-CG2 4.17Å; Y387-I413 HydrophobicContact CE1-CG2 3.83Å; Y387-I413 HydrophobicContact CE2-CD1 4.32Å; Y387-I413 HydrophobicContact CE2-CG2 4.17Å; Y387-I413 HydrophobicContact CG-CG2 4.48Å; F390-I413 HydrophobicContact CD2-CB 4.28Å; F390-I413 HydrophobicContact CD2-CG2 3.76Å; F390-I413 HydrophobicContact CE2-CB 3.9Å; F390-I413 HydrophobicContact CE2-CG2 3.88Å; N409-I413 HydrophobicContact CB-CD1 4.31Å; N409-I413 VanDerWaalsContact O-CB 3.31Å; N409-I413 WeakPolarHBondContact O-CB 3.49Å; N409-I413 VanDerWaalsContact O-CG1 3.28Å; N409-I413 WeakPolarHBondContact O-CG1 3.33Å; N409-I413 PolarHBondContact O-N 3.45Å; I413-R415 VanDerWaalsContact C-N 3.32Å; I413-R415 PolarHBondContact O-N 3.46Å; I413-T416 PolarHBondContact O-N 3.17Å; I413-T416 PolarHBondContact O-OG1 2.88Å; I413-M417 HydrophobicContact CG2-CG 4.19Å; I413-M417 PolarHBondContact O-N 3.16Å; I413-M417 VanDerWaalsContact O-N 3.13Å; I413-R575 HydrophobicContact CD1-CB 4.35Å; I413-R575 HydrophobicContact CG1-CB 4.34Å; I413-R575 HydrophobicContact CG1-CG 4.23Å
414G91.8Very high92.9Very high0 Ų022 Ų220%012%0.117CC..Hα-helixtrans-56.4-40.2176.300000113.2T410 M411 T416 M417 L418T410-G414 VanDerWaalsContact O-CA 3.3Å; T410-G414 WeakPolarHBondContact O-CA 3.37Å; T410-G414 PolarHBondContact O-N 3.29Å; M411-G414 PolarHBondContact O-N 3.02Å; G414-T416 PolarHBondContact O-N 3.39Å; G414-T416 VanDerWaalsContact O-N 3.12Å; G414-M417 PolarHBondContact O-N 3.38Å; G414-L418 WeakPolarHBondContact O-CA 3.5Å; G414-L418 VanDerWaalsContact O-CB 3.25Å; G414-L418 WeakPolarHBondContact O-CB 3.49Å; G414-L418 PolarHBondContact O-N 3.48Å
415R88.8Confident92.8Very high29 Ų2922.8 Ų22.811%0.10912%0.12CC..Hα-helixtrans-57.9-26174.5-77.5161.6174.3175.6-9.4113.5P254 K257 M411 D412 I413 D428P254-R415 HydrophobicContact CB-CG 4.46Å; K257-R415 PolarHBondContact NZ-O 3.01Å; M411-R415 WeakPolarHBondContact O-CB 3.5Å; M411-R415 WeakPolarHBondContact O-CD 3.36Å; M411-R415 WeakPolarHBondContact O-CG 3.35Å; M411-R415 PolarHBondContact O-N 2.83Å; M411-R415 PolarHBondContact SD-NH2 3.18Å; D412-R415 IonicContact OD1-CZ 3.24Å; D412-R415 IonicContact OD1-NH1 3.74Å; D412-R415 PolarHBondContact OD1-NH1 3.18Å; I413-R415 VanDerWaalsContact C-N 3.32Å; I413-R415 PolarHBondContact O-N 3.46Å; R415-D428 IonicContact CZ-OD2 3.03Å; R415-D428 IonicContact NE-OD2 3.31Å; R415-D428 PolarHBondContact NE-OD2 2.91Å; R415-D428 IonicContact NH2-OD1 2.92Å; R415-D428 IonicContact NH2-OD2 2.75Å; R415-D428 PolarHBondContact NH2-OD2 2.87Å
416T86.1Confident92.9Very high45 Ų4522.7 Ų22.728%0.27612%0.12SC..Hα-helixtrans-93.8-27.3-179.769.50000113.9I413 G414I413-T416 PolarHBondContact O-N 3.17Å; I413-T416 PolarHBondContact O-OG1 2.88Å; G414-T416 PolarHBondContact O-N 3.39Å; G414-T416 VanDerWaalsContact O-N 3.12Å
417M91.1Very high93.1Very high26 Ų2622.7 Ų22.713%0.12812%0.12CC..Hα-helixtrans-103-26.4-174.4-65.1-64.9-69.800112.9A377 Y387 F390 H391 I413 G414A377-M417 HydrophobicContact CB-CE 4.31Å; Y387-M417 HydrophobicContact CD1-CE 4.4Å; Y387-M417 HydrophobicContact CD1-CG 4.24Å; Y387-M417 HydrophobicContact CD1-SD 3.92Å; F390-M417 HydrophobicContact CB-CB 3.53Å; F390-M417 HydrophobicContact CB-CG 4.08Å; F390-M417 HydrophobicContact CD2-CB 4.32Å; F390-M417 HydrophobicContact CD2-CG 4.42Å; F390-M417 HydrophobicContact CG-CB 4.21Å; H391-M417 HydrophobicContact CB-CE 4.27Å; I413-M417 HydrophobicContact CG2-CG 4.19Å; I413-M417 PolarHBondContact O-N 3.16Å; I413-M417 VanDerWaalsContact O-N 3.13Å; G414-M417 PolarHBondContact O-N 3.38Å
418L93.8Very high93.2Very high1 Ų122.2 Ų22.21%0.00512%0.115CC..SBendtrans-102.9112.9179.9-54.1177.3000109.3K257 F390 I393 L397 I403 G414 V461K257-L418 VanDerWaalsContact CE-O 3.29Å; K257-L418 WeakPolarHBondContact CE-O 3.11Å; K257-L418 PolarHBondContact NZ-O 3.19Å; F390-L418 HydrophobicContact CB-CD2 4.35Å; F390-L418 HydrophobicContact CD1-CD1 4.07Å; F390-L418 HydrophobicContact CD1-CD2 4.3Å; F390-L418 HydrophobicContact CD1-CG 4.27Å; F390-L418 HydrophobicContact CE1-CD1 4.33Å; I393-L418 HydrophobicContact CB-CD2 4.41Å; I393-L418 HydrophobicContact CG2-CD2 3.91Å; L397-L418 HydrophobicContact CD1-CD2 4.24Å; I403-L418 HydrophobicContact CD1-CB 4.15Å; I403-L418 HydrophobicContact CG2-CD1 4.37Å; G414-L418 WeakPolarHBondContact O-CA 3.5Å; G414-L418 VanDerWaalsContact O-CB 3.25Å; G414-L418 WeakPolarHBondContact O-CB 3.49Å; G414-L418 PolarHBondContact O-N 3.48Å; L418-V461 HydrophobicContact CD1-CG1 4.39Å; L418-V461 HydrophobicContact CD1-CG2 4.12Å
419N93.7Very high93.3Very high64 Ų6421 Ų2134%0.34211%0.105SC..  trans-87.9149179.9-71.8-17.5000111.2D262 Y421D262-N419 HydrophobicContact CB-CB 3.99Å; D262-N419 WeakPolarHBondContact OD2-CA 3.46Å; N419-Y421 HydrophobicContact CB-CE1 4.18Å; N419-Y421 HydrophobicContact CB-CE2 3.99Å
420N95.7Very high93.3Very high3 Ų320.4 Ų20.42%0.01610%0.102CC..  trans-116.9140.7168.9-66.791.3000109.7K257 G258 D262 H425 R426K257-N420 HydrophobicContact CB-CB 4.09Å; K257-N420 WeakPolarHBondContact CE-OD1 3.46Å; G258-N420 WeakPolarHBondContact CA-O 3.23Å; D262-N420 WeakPolarHBondContact CB-O 3.07Å; D262-N420 VanDerWaalsContact CG-O 3.22Å; D262-N420 PolarHBondContact N-O 2.93Å; D262-N420 PolarHBondContact OD2-N 3.15Å; N420-H425 PolarHBondContact ND2-O 2.99Å; N420-H425 VanDerWaalsContact ND2-O 3.09Å; N420-R426 WeakPolarHBondContact OD1-CD 3.49Å
421Y95.8Very high93.2Very high55 Ų5521.1 Ų21.122%0.21611%0.107CC..  trans-117.9-8.4-175.1-54-81.4000113.2P261 D263 R399 N419P261-Y421 HydrophobicContact CB-CD1 4.26Å; D263-Y421 HydrophobicContact CB-CE1 4Å; D263-Y421 VanDerWaalsContact CG-CE1 3.45Å; D263-Y421 WeakPolarHBondContact OD1-CD1 3.39Å; D263-Y421 WeakPolarHBondContact OD2-CE1 3.27Å; R399-Y421 HydrophobicContact CB-CD2 4.26Å; R399-Y421 HydrophobicContact CG-CD1 4.2Å; R399-Y421 HydrophobicContact CG-CD2 3.31Å; R399-Y421 HydrophobicContact CG-CE2 3.75Å; R399-Y421 HydrophobicContact CG-CG 3.52Å; R399-Y421 VanDerWaalsContact CZ-CE1 3.49Å; R399-Y421 VanDerWaalsContact O-CD2 3.23Å; R399-Y421 WeakPolarHBondContact O-CD2 3.43Å; N419-Y421 HydrophobicContact CB-CE1 4.18Å; N419-Y421 HydrophobicContact CB-CE2 3.99Å
422L97Very high93.3Very high63 Ų6325.2 Ų25.233%0.3312%0.124SC..SBendtrans-131.4146.8-179.5-64.5177.5000110.7G258 D400 H425G258-L422 CarbonylContact O-C 3.51Å; G258-L422 WeakPolarHBondContact O-CA 3.34Å; D400-L422 HydrophobicContact CB-CD1 3.68Å; L422-H425 HydrophobicContact CB-CB 4.47Å; L422-H425 WeakPolarHBondContact CB-CE1 3.33Å; L422-H425 WeakPolarHBondContact CB-ND1 3.3Å; L422-H425 VanDerWaalsContact CD1-NE2 3.34Å; L422-H425 WeakPolarHBondContact CD1-NE2 3.42Å; L422-H425 WeakPolarHBondContact O-CB 3.47Å
423P96.6Very high93.4Very high15 Ų1524.9 Ų24.910%0.09713%0.132CC..THydrogen-bonded Turntrans-66.8148.5-178.625.8-34.8000110.7E236 G258 H425E236-P423 HydrophobicContact CB-CB 4.38Å; E236-P423 HydrophobicContact CB-CG 4.08Å; E236-P423 HydrophobicContact CG-CG 3.94Å; E236-P423 WeakPolarHBondContact OE1-CG 3.24Å; G258-P423 WeakPolarHBondContact O-CD 3.44Å; P423-H425 PolarHBondContact O-N 3.29Å; P423-H425 VanDerWaalsContact O-N 3.1Å; P423-H425 PolarHBondContact O-ND1 2.87Å
424R96.8Very high93.6Very high36 Ų3625.7 Ų25.714%0.13614%0.137CC..THydrogen-bonded Turntrans63.39.8178.7-53.2165.2-70.1-83.4-1.3114.6Y78 A231 E236Y78-R424 HydrophobicContact CE1-CB 4.15Å; Y78-R424 HydrophobicContact CE1-CG 4.22Å; A231-R424 HydrophobicContact CB-CG 4.03Å; A231-R424 WeakPolarHBondContact O-CD 3.43Å; A231-R424 PolarHBondContact O-NH1 2.72Å; E236-R424 IonicContact OE1-CZ 3.6Å; E236-R424 IonicContact OE1-NH1 2.94Å; E236-R424 PolarHBondContact OE1-NH1 3.34Å; E236-R424 VanDerWaalsContact OE1-NH1 3.1Å; E236-R424 IonicContact OE1-NH2 3.19Å; E236-R424 PolarHBondContact OE1-NH2 2.93Å; E236-R424 IonicContact OE2-NH1 3.76Å; E236-R424 PolarHBondContact OE2-NH1 3.04Å
425H96.9Very high93.7Very high17 Ų1728.7 Ų28.78%0.07915%0.152CC..  trans-90.50.1175.7-69.753.8000113.3D400 I402 I403 N420 L422 P423 Q456D400-H425 PolarHBondContact O-CD2 3.5Å; D400-H425 VanDerWaalsContact O-CD2 3.23Å; I402-H425 CarbonylContact C-O 3.55Å; I402-H425 WeakPolarHBondContact CA-O 3.3Å; I402-H425 HydrophobicContact CG1-CB 4.44Å; I403-H425 PolarHBondContact N-O 3.23Å; N420-H425 PolarHBondContact ND2-O 2.99Å; N420-H425 VanDerWaalsContact ND2-O 3.09Å; L422-H425 HydrophobicContact CB-CB 4.47Å; L422-H425 WeakPolarHBondContact CB-CE1 3.33Å; L422-H425 WeakPolarHBondContact CB-ND1 3.3Å; L422-H425 VanDerWaalsContact CD1-NE2 3.34Å; L422-H425 WeakPolarHBondContact CD1-NE2 3.42Å; L422-H425 WeakPolarHBondContact O-CB 3.47Å; P423-H425 PolarHBondContact O-N 3.29Å; P423-H425 VanDerWaalsContact O-N 3.1Å; P423-H425 PolarHBondContact O-ND1 2.87Å; H425-Q456 PolarHBondContact NE2-NE2 2.89Å; H425-Q456 PolarHBondContact NE2-OE1 3.24Å
426R97.2Very high94Very high0 Ų027.4 Ų27.40%015%0.148CC..EExtended strand (participates in β ladder)trans-110118.2170.2-174.161.2173.9-15610.5108.4P254 M255 I403 S405 N420P254-R426 WeakPolarHBondContact O-CG 3.37Å; M255-R426 VanDerWaalsContact CE-O 3.27Å; M255-R426 WeakPolarHBondContact CE-O 3.41Å; I403-R426 WeakPolarHBondContact O-CA 3.33Å; S405-R426 PolarHBondContact OG-NH2 3.13Å; S405-R426 VanDerWaalsContact OG-NH2 3.14Å; N420-R426 WeakPolarHBondContact OD1-CD 3.49Å
427L97.8Very high94.5Very high0 Ų025.3 Ų25.30%014%0.135CC..EExtended strand (participates in β ladder)trans-115.5128.6169.3-56.5176.9000107.8Y78 I79 W109 M255 I402 I403 V404 S405 F441 A445Y78-L427 HydrophobicContact CD1-CD2 3.66Å; Y78-L427 HydrophobicContact CE1-CD2 3.84Å; I79-L427 HydrophobicContact CD1-CD1 4.15Å; W109-L427 HydrophobicContact CH2-CD2 4.48Å; M255-L427 HydrophobicContact CE-CD2 3.96Å; I402-L427 HydrophobicContact CG2-CD1 4.36Å; I403-L427 PolarHBondContact O-N 3.21Å; V404-L427 CarbonylContact C-O 3.57Å; V404-L427 VanDerWaalsContact CA-O 3.3Å; V404-L427 WeakPolarHBondContact CA-O 3.34Å; V404-L427 HydrophobicContact CG1-CB 4.37Å; V404-L427 HydrophobicContact CG2-CB 4.18Å; V404-L427 HydrophobicContact CG2-CD1 4.14Å; S405-L427 PolarHBondContact N-O 3.37Å; L427-F441 HydrophobicContact CB-CB 4.46Å; L427-F441 HydrophobicContact CB-CD2 4.11Å; L427-F441 HydrophobicContact CD1-CB 4.15Å; L427-A445 HydrophobicContact CD1-CB 4.26Å
428D94.2Very high94.8Very high0 Ų024 Ų240%013%0.129CC..EExtended strand (participates in β ladder)trans-146-179.517675.113.1000111.1P254 M255 S405 M411 R415 G430P254-D428 WeakPolarHBondContact CB-OD2 3.49Å; M255-D428 WeakPolarHBondContact CG-OD1 3.32Å; S405-D428 VanDerWaalsContact O-CA 3.24Å; S405-D428 WeakPolarHBondContact O-CA 3.41Å; S405-D428 VanDerWaalsContact O-CB 3.23Å; S405-D428 WeakPolarHBondContact O-CB 3.31Å; M411-D428 HydrophobicContact CG-CB 4.44Å; M411-D428 HydrophobicContact SD-CB 3.97Å; R415-D428 IonicContact CZ-OD2 3.03Å; R415-D428 IonicContact NE-OD2 3.31Å; R415-D428 PolarHBondContact NE-OD2 2.91Å; R415-D428 IonicContact NH2-OD1 2.92Å; R415-D428 IonicContact NH2-OD2 2.75Å; R415-D428 PolarHBondContact NH2-OD2 2.87Å; D428-G430 PolarHBondContact O-N 3.25Å; D428-G430 VanDerWaalsContact OD1-CA 3.29Å; D428-G430 WeakPolarHBondContact OD1-CA 3.39Å; D428-G430 PolarHBondContact OD1-N 3.46Å
429A91.2Very high95Very high4 Ų424 Ų243%0.03313%0.129CC..SBendtrans-54.8-15.2178.900000114.3M411 G433 T434M411-A429 HydrophobicContact CE-CB 4.39Å; M411-A429 HydrophobicContact SD-CB 3.9Å; A429-G433 PolarHBondContact O-N 3.08Å; A429-T434 WeakPolarHBondContact CB-O 3.45Å
430G90.1Very high95.2Very high3 Ų321 Ų213%0.03111%0.112CC..G310 helixtrans65.4-145.4167.700000113.3N107 D428N107-G430 WeakPolarHBondContact OD1-CA 3.34Å; D428-G430 PolarHBondContact O-N 3.25Å; D428-G430 VanDerWaalsContact OD1-CA 3.29Å; D428-G430 WeakPolarHBondContact OD1-CA 3.39Å; D428-G430 PolarHBondContact OD1-N 3.46Å
431T93.1Very high95.3Very high19 Ų1920.8 Ų20.812%0.11711%0.111CC..G310 helixtrans-73.7-28.7-175.7-590000112.9N107 R291 N293 W294N107-T431 PolarHBondContact OD1-N 2.97Å; R291-T431 PolarHBondContact NH2-OG1 2.89Å; N293-T431 WeakPolarHBondContact ND2-CG2 3.48Å; W294-T431 PolarHBondContact NE1-O 2.66Å
432F93.1Very high95.4Very high102 Ų10218.2 Ų18.245%0.44710%0.101SC..G310 helixtrans-89.6-4.6-174.8-157.4-139.2000113.4A102 N103 M106 T434A102-F432 HydrophobicContact CB-CE1 4Å; A102-F432 HydrophobicContact CB-CZ 4.32Å; N103-F432 HydrophobicContact CB-CD1 4.25Å; M106-F432 HydrophobicContact CB-CB 3.79Å; M106-F432 HydrophobicContact CB-CD2 4.01Å; M106-F432 HydrophobicContact CB-CG 3.97Å; M106-F432 HydrophobicContact CG-CB 4.32Å; M106-F432 HydrophobicContact CG-CD2 3.56Å; M106-F432 HydrophobicContact CG-CE2 3.97Å; M106-F432 HydrophobicContact CG-CG 3.94Å; F432-T434 WeakPolarHBondContact CB-OG1 3.45Å; F432-T434 WeakPolarHBondContact CD1-OG1 3.19Å; F432-T434 PolarHBondContact O-N 3Å; F432-T434 VanDerWaalsContact O-N 3.11Å
433G91.4Very high95.5Very high40 Ų4015.2 Ų15.241%0.4129%0.085SC..THydrogen-bonded Turntrans5827.717700000113.1A429A429-G433 PolarHBondContact O-N 3.08Å
434T93.8Very high95.6Very high18 Ų1814.5 Ų14.511%0.118%0.081CC..  trans-74.8129.5-170.3-48.60000111.1Y71 N103 A429 F432 V437Y71-T434 HydrophobicContact CE1-CG2 4.18Å; Y71-T434 VanDerWaalsContact OH-CG2 3.27Å; Y71-T434 WeakPolarHBondContact OH-CG2 3.48Å; N103-T434 WeakPolarHBondContact ND2-CB 3.47Å; N103-T434 PolarHBondContact ND2-OG1 3.03Å; A429-T434 WeakPolarHBondContact CB-O 3.45Å; F432-T434 WeakPolarHBondContact CB-OG1 3.45Å; F432-T434 WeakPolarHBondContact CD1-OG1 3.19Å; F432-T434 PolarHBondContact O-N 3Å; F432-T434 VanDerWaalsContact O-N 3.11Å; T434-V437 HydrophobicContact CG2-CG1 3.74Å
435M93.6Very high95.6Very high62 Ų6212.8 Ų12.831%0.3057%0.074SC..SBendtrans-89.5145.1169-62.1-178.571.600110.9E406 A466 F469E406-M435 WeakPolarHBondContact OE1-CA 3.45Å; E406-M435 WeakPolarHBondContact OE1-CB 3.38Å; M435-A466 HydrophobicContact CE-CB 4.1Å; M435-F469 HydrophobicContact CB-CD2 3.86Å; M435-F469 HydrophobicContact CB-CE2 3.74Å; M435-F469 HydrophobicContact CB-CG 4.39Å; M435-F469 HydrophobicContact CB-CZ 4.15Å; M435-F469 HydrophobicContact CE-CD2 4.33Å; M435-F469 HydrophobicContact CE-CE2 3.74Å; M435-F469 HydrophobicContact SD-CE2 4.14Å
436G94.5Very high95.6Very high2 Ų212.1 Ų12.12%0.0217%0.072CC..SBendtrans92.49.3-177.100000116E406 S470E406-G436 PolarHBondContact OE1-N 3.11Å; E406-G436 WeakPolarHBondContact OE2-CA 3.48Å; E406-G436 PolarHBondContact OE2-N 3.28Å; G436-S470 WeakPolarHBondContact O-CB 3.42Å; G436-S470 PolarHBondContact O-OG 2.87Å
437V97.1Very high95.6Very high1 Ų112.5 Ų12.51%0.0068%0.075CC..  trans-82.2-22.3177.9-60.70000113.1Y71 E406 T434 L439 G440 F441Y71-V437 HydrophobicContact CD1-CG1 3.88Å; Y71-V437 HydrophobicContact CD2-CB 4.31Å; Y71-V437 HydrophobicContact CD2-CG1 3.97Å; Y71-V437 HydrophobicContact CE1-CG1 3.87Å; Y71-V437 HydrophobicContact CE2-CG1 3.97Å; Y71-V437 HydrophobicContact CG-CB 4.35Å; Y71-V437 HydrophobicContact CG-CG1 3.95Å; E406-V437 HydrophobicContact CG-CG2 4.06Å; E406-V437 WeakPolarHBondContact OE2-CG2 3.33Å; E406-V437 PolarHBondContact OE2-N 3.2Å; T434-V437 HydrophobicContact CG2-CG1 3.74Å; V437-L439 PolarHBondContact O-N 3.46Å; V437-G440 PolarHBondContact O-N 3.43Å; V437-F441 HydrophobicContact CB-CD1 4.38Å; V437-F441 HydrophobicContact CB-CD2 4.01Å; V437-F441 HydrophobicContact CB-CE1 4.06Å; V437-F441 HydrophobicContact CB-CE2 3.66Å; V437-F441 HydrophobicContact CB-CG 4.37Å; V437-F441 HydrophobicContact CB-CZ 3.68Å; V437-F441 HydrophobicContact CG1-CE2 4.38Å; V437-F441 HydrophobicContact CG1-CZ 4.06Å; V437-F441 HydrophobicContact CG2-CD2 3.95Å; V437-F441 HydrophobicContact CG2-CE2 3.63Å; V437-F441 HydrophobicContact CG2-CZ 4.15Å; V437-F441 WeakPolarHBondContact O-CB 3.35Å; V437-F441 WeakPolarHBondContact O-CG 3.48Å; V437-F441 PolarHBondContact O-N 3.16Å
438G97.1Very high95.5Very high0 Ų012.8 Ų12.80%08%0.077CC..Hα-helixtrans-53.6-60.4-166.600000113.5V404 E406 G440 F441 A442 E462V404-G438 WeakPolarHBondContact CG1-O 3.33Å; E406-G438 WeakPolarHBondContact OE2-CA 3.33Å; E406-G438 PolarHBondContact OE2-N 2.8Å; G438-G440 PolarHBondContact O-N 3.22Å; G438-F441 PolarHBondContact O-N 3.46Å; G438-A442 WeakPolarHBondContact O-CB 3.31Å; G438-A442 PolarHBondContact O-N 3.49Å; G438-E462 VanDerWaalsContact CA-OE1 3.28Å; G438-E462 WeakPolarHBondContact CA-OE1 3.34Å
439L97.6Very high95.5Very high0 Ų013 Ų130%08%0.078CC..Hα-helixtrans-67.6-36.7-176-81.964.1000112.1V437 F441 A442 I443 E462 F467 S470 E473 V474 I487V437-L439 PolarHBondContact O-N 3.46Å; L439-F441 PolarHBondContact O-N 3.35Å; L439-A442 PolarHBondContact O-N 3.24Å; L439-I443 WeakPolarHBondContact O-CB 3.37Å; L439-I443 VanDerWaalsContact O-CG1 3.29Å; L439-I443 WeakPolarHBondContact O-CG1 3.26Å; L439-I443 PolarHBondContact O-N 3.44Å; L439-E462 HydrophobicContact CD1-CG 4.3Å; L439-F467 HydrophobicContact CD1-CD2 4.01Å; L439-F467 HydrophobicContact CD1-CE2 4.33Å; L439-F467 HydrophobicContact CD2-CE2 4.1Å; L439-S470 WeakPolarHBondContact CD2-O 3.26Å; L439-E473 HydrophobicContact CB-CB 3.99Å; L439-E473 HydrophobicContact CD2-CB 4.08Å; L439-V474 HydrophobicContact CD2-CG2 3.9Å; L439-I487 HydrophobicContact CD2-CD1 4.45Å; L439-I487 HydrophobicContact CG-CD1 4.41Å
440G98Very high95.4Very high0 Ų016.6 Ų16.60%010%0.1CC..Hα-helixtrans-59.9-45.8173.900000112A72 V437 G438 A444A72-G440 WeakPolarHBondContact CA-O 3.27Å; A72-G440 WeakPolarHBondContact CB-O 3.46Å; V437-G440 PolarHBondContact O-N 3.43Å; G438-G440 PolarHBondContact O-N 3.22Å; G440-A444 WeakPolarHBondContact O-CB 3.42Å; G440-A444 PolarHBondContact O-N 3.04Å
441F98.6Very high95.2Very high0 Ų019.4 Ų19.40%012%0.116CC..Hα-helixtrans-65.8-38.3176.3-70.3-1.3000112.4Y71 A75 W109 V404 L427 V437 G438 L439 A444 A445Y71-F441 WeakPolarHBondContact O-CD1 3.48Å; Y71-F441 VanDerWaalsContact O-CE1 3.27Å; Y71-F441 WeakPolarHBondContact O-CE1 3.49Å; A75-F441 HydrophobicContact CB-CB 4.35Å; A75-F441 HydrophobicContact CB-CD1 3.59Å; A75-F441 HydrophobicContact CB-CE1 4.14Å; A75-F441 HydrophobicContact CB-CG 4.09Å; W109-F441 HydrophobicContact CE3-CZ 4.45Å; W109-F441 AromaticContact CH2-CE2 3.98Å; W109-F441 HydrophobicContact CH2-CE2 3.98Å; W109-F441 AromaticContact CH2-CZ 3.97Å; W109-F441 HydrophobicContact CH2-CZ 3.97Å; W109-F441 AromaticContact CZ3-CE1 3.83Å; W109-F441 HydrophobicContact CZ3-CE1 3.83Å; W109-F441 AromaticContact CZ3-CE2 3.9Å; W109-F441 HydrophobicContact CZ3-CE2 3.9Å; W109-F441 AromaticContact CZ3-CZ 3.43Å; W109-F441 HydrophobicContact CZ3-CZ 3.43Å; W109-F441 VanDerWaalsContact CZ3-CZ 3.43Å; V404-F441 HydrophobicContact CG1-CB 3.89Å; V404-F441 HydrophobicContact CG2-CB 4.41Å; L427-F441 HydrophobicContact CB-CB 4.46Å; L427-F441 HydrophobicContact CB-CD2 4.11Å; L427-F441 HydrophobicContact CD1-CB 4.15Å; V437-F441 HydrophobicContact CB-CD1 4.38Å; V437-F441 HydrophobicContact CB-CD2 4.01Å; V437-F441 HydrophobicContact CB-CE1 4.06Å; V437-F441 HydrophobicContact CB-CE2 3.66Å; V437-F441 HydrophobicContact CB-CG 4.37Å; V437-F441 HydrophobicContact CB-CZ 3.68Å; V437-F441 HydrophobicContact CG1-CE2 4.38Å; V437-F441 HydrophobicContact CG1-CZ 4.06Å; V437-F441 HydrophobicContact CG2-CD2 3.95Å; V437-F441 HydrophobicContact CG2-CE2 3.63Å; V437-F441 HydrophobicContact CG2-CZ 4.15Å; V437-F441 WeakPolarHBondContact O-CB 3.35Å; V437-F441 WeakPolarHBondContact O-CG 3.48Å; V437-F441 PolarHBondContact O-N 3.16Å; G438-F441 PolarHBondContact O-N 3.46Å; L439-F441 PolarHBondContact O-N 3.35Å; F441-A444 PolarHBondContact O-N 3.06Å; F441-A445 WeakPolarHBondContact O-CB 3.48Å; F441-A445 PolarHBondContact O-N 3.11Å
442A98.4Very high95Very high0 Ų023 Ų230%013%0.128CC..Hα-helixtrans-67.6-42.7178.100000112.4V404 G438 L439 A444 A445 A446 V458 C460 V485V404-A442 HydrophobicContact CG2-CB 4.05Å; G438-A442 WeakPolarHBondContact O-CB 3.31Å; G438-A442 PolarHBondContact O-N 3.49Å; L439-A442 PolarHBondContact O-N 3.24Å; A442-A444 VanDerWaalsContact C-N 3.35Å; A442-A445 PolarHBondContact O-N 2.97Å; A442-A446 WeakPolarHBondContact O-CB 3.35Å; A442-A446 PolarHBondContact O-N 2.79Å; A442-V458 HydrophobicContact CB-CG1 4.1Å; A442-C460 HydrophobicContact CB-CB 4.05Å; A442-V485 HydrophobicContact CB-CG1 3.95Å; A442-V485 HydrophobicContact CB-CG2 4.49Å
443I98.4Very high94.7Very high0 Ų026.7 Ų26.70%015%0.15CC..Hα-helixtrans-60.7-45.7174-73.5166.5000110.3F39 V61 M63 L439 A446 A447 E473 T476 M477 L483F39-I443 HydrophobicContact CE1-CG2 4.16Å; V61-I443 HydrophobicContact CG1-CG2 4.02Å; M63-I443 HydrophobicContact CE-CD1 3.96Å; M63-I443 HydrophobicContact CE-CG2 4.45Å; M63-I443 HydrophobicContact SD-CD1 4.4Å; M63-I443 HydrophobicContact SD-CG2 4.12Å; L439-I443 WeakPolarHBondContact O-CB 3.37Å; L439-I443 VanDerWaalsContact O-CG1 3.29Å; L439-I443 WeakPolarHBondContact O-CG1 3.26Å; L439-I443 PolarHBondContact O-N 3.44Å; I443-A446 PolarHBondContact O-N 3.19Å; I443-A447 VanDerWaalsContact O-CB 3.26Å; I443-A447 WeakPolarHBondContact O-CB 3.39Å; I443-A447 PolarHBondContact O-N 3.05Å; I443-E473 HydrophobicContact CD1-CB 3.81Å; I443-T476 HydrophobicContact CD1-CG2 4.05Å; I443-M477 HydrophobicContact CG1-CB 4.37Å; I443-M477 HydrophobicContact CG1-CE 4.12Å; I443-L483 HydrophobicContact CB-CD1 4.24Å; I443-L483 HydrophobicContact CG1-CD1 4.24Å; I443-L483 HydrophobicContact CG2-CD1 3.81Å
444A98.1Very high94.7Very high0 Ų032.1 Ų32.10%016%0.162CC..Hα-helixtrans-61.2-47.7176.900000112.8F39 A72 A75 V76 G440 F441 A442 A447 V448F39-A444 HydrophobicContact CZ-CB 4.18Å; A72-A444 HydrophobicContact CB-CB 4.03Å; A72-A444 WeakPolarHBondContact O-CB 3.43Å; A75-A444 HydrophobicContact CB-CB 3.85Å; V76-A444 HydrophobicContact CG2-CB 3.86Å; G440-A444 WeakPolarHBondContact O-CB 3.42Å; G440-A444 PolarHBondContact O-N 3.04Å; F441-A444 PolarHBondContact O-N 3.06Å; A442-A444 VanDerWaalsContact C-N 3.35Å; A444-A447 PolarHBondContact O-N 3.22Å; A444-V448 WeakPolarHBondContact O-CG2 3.26Å; A444-V448 PolarHBondContact O-N 3.49Å
445A98.1Very high94.6Very high0 Ų034 Ų340%018%0.175CC..Hα-helixtrans-59.4-48.6177.100000110.8I79 I402 L427 F441 A442 A447 V448 E449 V458I79-A445 HydrophobicContact CD1-CB 4.23Å; I402-A445 HydrophobicContact CD1-CB 4.19Å; I402-A445 HydrophobicContact CG2-CB 4.15Å; L427-A445 HydrophobicContact CD1-CB 4.26Å; F441-A445 WeakPolarHBondContact O-CB 3.48Å; F441-A445 PolarHBondContact O-N 3.11Å; A442-A445 PolarHBondContact O-N 2.97Å; A445-A447 PolarHBondContact O-N 3.4Å; A445-V448 PolarHBondContact O-N 2.98Å; A445-E449 WeakPolarHBondContact O-CG 3.27Å; A445-E449 PolarHBondContact O-N 2.7Å; A445-V458 HydrophobicContact CB-CG1 4.11Å; A445-V458 HydrophobicContact CB-CG2 3.93Å
446A97.1Very high94.7Very high3 Ų332.2 Ų32.23%0.02517%0.166CC..Hα-helixtrans-63-43179.500000112.1A442 I443 V448 E449 T450 V458 L483 V485A442-A446 WeakPolarHBondContact O-CB 3.35Å; A442-A446 PolarHBondContact O-N 2.79Å; I443-A446 PolarHBondContact O-N 3.19Å; A446-V448 VanDerWaalsContact C-N 3.28Å; A446-V448 PolarHBondContact O-N 2.92Å; A446-E449 PolarHBondContact O-N 3.02Å; A446-E449 VanDerWaalsContact O-N 3.16Å; A446-T450 WeakPolarHBondContact O-CG2 3.22Å; A446-T450 PolarHBondContact O-N 3.08Å; A446-V458 HydrophobicContact CB-CG2 4.18Å; A446-L483 HydrophobicContact CB-CB 3.99Å; A446-L483 HydrophobicContact CB-CD1 4.32Å; A446-L483 HydrophobicContact CB-CD2 4.33Å; A446-L483 HydrophobicContact CB-CG 4.44Å; A446-V485 HydrophobicContact CB-CG2 3.59Å
447A96.2Very high94.8Very high8 Ų832.5 Ų32.57%0.06617%0.166CC..Hα-helixtrans-57.3-42.2175.700000111.6Y37 F39 I443 A444 A445 T450 T451Y37-A447 HydrophobicContact CD1-CB 4.33Å; Y37-A447 HydrophobicContact CE1-CB 4.35Å; F39-A447 HydrophobicContact CZ-CB 4.44Å; I443-A447 VanDerWaalsContact O-CB 3.26Å; I443-A447 WeakPolarHBondContact O-CB 3.39Å; I443-A447 PolarHBondContact O-N 3.05Å; A444-A447 PolarHBondContact O-N 3.22Å; A445-A447 PolarHBondContact O-N 3.4Å; A447-T450 PolarHBondContact O-OG1 3.28Å; A447-T451 WeakPolarHBondContact O-CG2 3.19Å
448V96Very high94.8Very high6 Ų632.6 Ų32.64%0.03617%0.167CC..Hα-helixtrans-66.6-46.4174.4172.30000111.4Y37 V76 I79 T80 A444 A445 A446 T450 T451Y37-V448 HydrophobicContact CE1-CG2 4.44Å; Y37-V448 HydrophobicContact CE2-CG2 4.07Å; V76-V448 HydrophobicContact CG1-CG2 4.44Å; V76-V448 HydrophobicContact CG2-CG2 4.01Å; I79-V448 HydrophobicContact CG2-CG1 4.09Å; T80-V448 HydrophobicContact CG2-CG1 4.38Å; T80-V448 HydrophobicContact CG2-CG2 4.15Å; A444-V448 WeakPolarHBondContact O-CG2 3.26Å; A444-V448 PolarHBondContact O-N 3.49Å; A445-V448 PolarHBondContact O-N 2.98Å; A446-V448 VanDerWaalsContact C-N 3.28Å; A446-V448 PolarHBondContact O-N 2.92Å; V448-T450 VanDerWaalsContact C-N 3.32Å; V448-T450 PolarHBondContact O-N 3.04Å; V448-T451 PolarHBondContact O-N 3.37Å; V448-T451 VanDerWaalsContact O-N 3.17Å; V448-T451 PolarHBondContact O-OG1 3.03Å
449E94.5Very high94.9Very high4 Ų432.6 Ų32.62%0.01917%0.167CC..Hα-helixtrans-62.6-35.3-178.3-69.7-48.3121.100112.9I402 A445 A446 T451 R452 P455 Q456 V458I402-E449 HydrophobicContact CD1-CG 3.74Å; I402-E449 WeakPolarHBondContact CD1-OE1 3.34Å; A445-E449 WeakPolarHBondContact O-CG 3.27Å; A445-E449 PolarHBondContact O-N 2.7Å; A446-E449 PolarHBondContact O-N 3.02Å; A446-E449 VanDerWaalsContact O-N 3.16Å; E449-T451 PolarHBondContact O-N 3.21Å; E449-R452 WeakPolarHBondContact O-CB 3.44Å; E449-R452 PolarHBondContact O-N 3.2Å; E449-R452 IonicContact OE1-CZ 2.85Å; E449-R452 IonicContact OE1-NE 3.1Å; E449-R452 PolarHBondContact OE1-NE 3.26Å; E449-R452 IonicContact OE1-NH1 3.03Å; E449-R452 PolarHBondContact OE1-NH1 2.84Å; E449-R452 IonicContact OE1-NH2 3.55Å; E449-R452 PolarHBondContact OE1-NH2 2.69Å; E449-R452 VanDerWaalsContact OE1-NH2 3.16Å; E449-R452 WeakPolarHBondContact OE2-CD 3.47Å; E449-R452 IonicContact OE2-CZ 2.78Å; E449-R452 IonicContact OE2-NE 3.43Å; E449-R452 IonicContact OE2-NH1 3.56Å; E449-R452 PolarHBondContact OE2-NH1 3.24Å; E449-P455 HydrophobicContact CB-CB 4.43Å; E449-P455 WeakPolarHBondContact O-CB 3.38Å; E449-Q456 HydrophobicContact CG-CB 4.43Å; E449-Q456 WeakPolarHBondContact OE2-CB 3.46Å; E449-Q456 PolarHBondContact OE2-N 2.89Å; E449-V458 HydrophobicContact CG-CG2 4.33Å
450T88.8Confident94.9Very high81 Ų8132.6 Ų32.650%0.49717%0.167SC..THydrogen-bonded Turntrans-58.6-17.3177.466.30000113.9A446 A447 V448 L483A446-T450 WeakPolarHBondContact O-CG2 3.22Å; A446-T450 PolarHBondContact O-N 3.08Å; A447-T450 PolarHBondContact O-OG1 3.28Å; V448-T450 VanDerWaalsContact C-N 3.32Å; V448-T450 PolarHBondContact O-N 3.04Å; T450-L483 HydrophobicContact CG2-CD2 4.08Å
451T85.8Confident94.9Very high62 Ų6232.6 Ų32.638%0.3817%0.167SC..THydrogen-bonded Turntrans-97.7-9.4-178.674.90000113.3Y37 K59 A447 V448 E449Y37-T451 HydrophobicContact CE1-CG2 4.21Å; Y37-T451 WeakPolarHBondContact OH-CG2 3.46Å; Y37-T451 PolarHBondContact OH-OG1 3.11Å; Y37-T451 VanDerWaalsContact OH-OG1 3.07Å; K59-T451 HydrophobicContact CD-CG2 4.26Å; A447-T451 WeakPolarHBondContact O-CG2 3.19Å; V448-T451 PolarHBondContact O-N 3.37Å; V448-T451 VanDerWaalsContact O-N 3.17Å; V448-T451 PolarHBondContact O-OG1 3.03Å; E449-T451 PolarHBondContact O-N 3.21Å
452R88.6Confident94.9Very high95 Ų9532.6 Ų32.636%0.35817%0.167SC..SBendtrans-84.1148.9-177.7-65.6-166.9-177.8167.23.7110.8E449 K454 Q456E449-R452 WeakPolarHBondContact O-CB 3.44Å; E449-R452 PolarHBondContact O-N 3.2Å; E449-R452 IonicContact OE1-CZ 2.85Å; E449-R452 IonicContact OE1-NE 3.1Å; E449-R452 PolarHBondContact OE1-NE 3.26Å; E449-R452 IonicContact OE1-NH1 3.03Å; E449-R452 PolarHBondContact OE1-NH1 2.84Å; E449-R452 IonicContact OE1-NH2 3.55Å; E449-R452 PolarHBondContact OE1-NH2 2.69Å; E449-R452 VanDerWaalsContact OE1-NH2 3.16Å; E449-R452 WeakPolarHBondContact OE2-CD 3.47Å; E449-R452 IonicContact OE2-CZ 2.78Å; E449-R452 IonicContact OE2-NE 3.43Å; E449-R452 IonicContact OE2-NH1 3.56Å; E449-R452 PolarHBondContact OE2-NH1 3.24Å; R452-K454 PolarHBondContact O-N 3.19Å; R452-Q456 VanDerWaalsContact NH1-OE1 3.09Å
453I87.2Confident94.8Very high179 Ų17932.8 Ų32.892%0.91817%0.169SC*.SBendtrans-59.6-39.2175.3-60.4172.3000110.8
454K90.4Very high94.7Very high154 Ų15433 Ų3367%0.6717%0.17SC*.SBendtrans-12290.9176-171.6-178.5178.5-170.90108.5R452R452-K454 PolarHBondContact O-N 3.19Å
455P92.4Very high94.6Very high58 Ų5833.7 Ų33.738%0.37718%0.175SC..PPolyproline II helixtrans-67.7143.4-179.628.4-34.8000110.6E449 W559E449-P455 HydrophobicContact CB-CB 4.43Å; E449-P455 WeakPolarHBondContact O-CB 3.38Å; P455-W559 HydrophobicContact CB-CH2 4.43Å; P455-W559 HydrophobicContact CB-CZ3 4.09Å; P455-W559 HydrophobicContact CG-CH2 4.45Å; P455-W559 HydrophobicContact CG-CZ3 4.21Å
456Q95.4Very high94.5Very high24 Ų2433.7 Ų33.711%0.11218%0.175CC..PPolyproline II helixtrans-102.5152.5175.4-65.3168.7-39.700110.9D400 H425 E449 R452D400-Q456 WeakPolarHBondContact O-CB 3.27Å; D400-Q456 VanDerWaalsContact O-CD 3.3Å; D400-Q456 WeakPolarHBondContact O-CG 3.41Å; D400-Q456 PolarHBondContact O-NE2 3.17Å; H425-Q456 PolarHBondContact NE2-NE2 2.89Å; H425-Q456 PolarHBondContact NE2-OE1 3.24Å; E449-Q456 HydrophobicContact CG-CB 4.43Å; E449-Q456 WeakPolarHBondContact OE2-CB 3.46Å; E449-Q456 PolarHBondContact OE2-N 2.89Å; R452-Q456 VanDerWaalsContact NH1-OE1 3.09Å
457R96.3Very high94.5Very high7 Ų733.8 Ų33.83%0.02618%0.175CC..PPolyproline II helixtrans-69.3137.2175.2-82.9-58.4-153.5171.4-1.7111.1P398 C401 I402 P484 C555 L556 D558 W559P398-R457 HydrophobicContact CG-CB 4.42Å; P398-R457 HydrophobicContact CG-CG 4.36Å; C401-R457 CarbonylContact C-O 3.6Å; C401-R457 VanDerWaalsContact CA-O 3.31Å; C401-R457 WeakPolarHBondContact CA-O 3.12Å; C401-R457 HydrophobicContact CB-CB 4.08Å; C401-R457 WeakPolarHBondContact CB-O 3.44Å; I402-R457 PolarHBondContact N-O 2.94Å; R457-P484 PolarHBondContact NH1-O 2.89Å; R457-C555 PolarHBondContact NH2-O 3.41Å; R457-L556 HydrophobicContact CG-CD2 4.33Å; R457-L556 PolarHBondContact NE-O 3.07Å; R457-L556 PolarHBondContact NH2-O 3.23Å; R457-D558 PolarHBondContact NH1-O 3.47Å; R457-D558 VanDerWaalsContact NH1-O 3.14Å; R457-D558 PolarHBondContact NH2-O 3Å; R457-W559 VanDerWaalsContact CD-CZ2 3.5Å; R457-W559 HydrophobicContact CG-CH2 3.78Å; R457-W559 HydrophobicContact CG-CZ2 3.54Å
458V98.1Very high94.5Very high4 Ų436 Ų362%0.02420%0.198CC..EExtended strand (participates in β ladder)trans-104.7121.3170-176.40000108.7I402 V404 A442 A445 A446 E449 V485 I486I402-V458 HydrophobicContact CB-CG2 4.36Å; I402-V458 HydrophobicContact CD1-CG2 4.4Å; I402-V458 WeakPolarHBondContact O-CA 3.47Å; V404-V458 HydrophobicContact CG2-CG1 4.25Å; A442-V458 HydrophobicContact CB-CG1 4.1Å; A445-V458 HydrophobicContact CB-CG1 4.11Å; A445-V458 HydrophobicContact CB-CG2 3.93Å; A446-V458 HydrophobicContact CB-CG2 4.18Å; E449-V458 HydrophobicContact CG-CG2 4.33Å; V458-V485 HydrophobicContact CB-CG2 4.23Å; V458-V485 HydrophobicContact CG1-CG1 4.25Å; V458-V485 HydrophobicContact CG1-CG2 4.27Å; V458-I486 PolarHBondContact O-N 3.4Å
459V98.4Very high94.5Very high0 Ų041.4 Ų41.40%022%0.221CC..EExtended strand (participates in β ladder)trans-119120.2177-174.40000109.1L397 I402 I403 V404 V461 I486 I488L397-V459 HydrophobicContact CD2-CB 4.28Å; L397-V459 HydrophobicContact CD2-CG1 4.12Å; L397-V459 HydrophobicContact CD2-CG2 3.76Å; I402-V459 PolarHBondContact O-N 2.91Å; I403-V459 WeakPolarHBondContact CA-O 3.36Å; V404-V459 PolarHBondContact N-O 2.66Å; V459-V461 HydrophobicContact CG1-CG2 4.06Å; V459-I486 CarbonylContact C-O 3.51Å; V459-I486 WeakPolarHBondContact CA-O 3.46Å; V459-I486 HydrophobicContact CG2-CB 4.38Å; V459-I488 HydrophobicContact CG1-CD1 3.86Å; V459-I488 HydrophobicContact CG1-CG1 4.32Å
460C98.3Very high94.6Very high0 Ų041.7 Ų41.70%022%0.224CC..EExtended strand (participates in β ladder)trans-103.9109.3-177.7-153.60000109.2V404 A442 E462 V485 I486 I487 I488V404-C460 HydrophobicContact CB-CB 4.41Å; A442-C460 HydrophobicContact CB-CB 4.05Å; C460-E462 PolarHBondContact SG-OE1 2.93Å; C460-V485 HydrophobicContact CB-CG1 4.17Å; C460-I486 PolarHBondContact N-O 2.96Å; C460-I487 HydrophobicContact CB-CG1 4.25Å; C460-I487 CarbonylContact O-C 3.53Å; C460-I487 WeakPolarHBondContact O-CA 3.41Å; C460-I488 PolarHBondContact O-N 3.26Å
461V98.3Very high94.9Very high0 Ų038.2 Ų38.20%020%0.204CC..EExtended strand (participates in β ladder)trans-106.1105.3-175.4-176.60000109.2F390 I403 V404 S405 E406 T410 L418 V459 I488 V490F390-V461 HydrophobicContact CE1-CG1 3.6Å; F390-V461 HydrophobicContact CZ-CG1 4.31Å; I403-V461 HydrophobicContact CG2-CG2 4.38Å; V404-V461 PolarHBondContact O-N 2.77Å; S405-V461 VanDerWaalsContact CA-O 3.3Å; S405-V461 WeakPolarHBondContact CA-O 3.48Å; E406-V461 PolarHBondContact N-O 2.99Å; T410-V461 HydrophobicContact CG2-CG1 3.88Å; L418-V461 HydrophobicContact CD1-CG1 4.39Å; L418-V461 HydrophobicContact CD1-CG2 4.12Å; V459-V461 HydrophobicContact CG1-CG2 4.06Å; V461-I488 WeakPolarHBondContact CA-O 3.32Å; V461-V490 HydrophobicContact CG1-CG2 4.42Å
462E97.9Very high95.5Very high0 Ų040 Ų400%021%0.209CC..EExtended strand (participates in β ladder)trans-115.3144.5-167.4-63-59.4144.100111.2E406 G438 L439 C460 F467 I487 I488 V489 V490E406-E462 WeakPolarHBondContact CB-OE2 3.41Å; G438-E462 VanDerWaalsContact CA-OE1 3.28Å; G438-E462 WeakPolarHBondContact CA-OE1 3.34Å; L439-E462 HydrophobicContact CD1-CG 4.3Å; C460-E462 PolarHBondContact SG-OE1 2.93Å; E462-F467 HydrophobicContact CB-CB 4.12Å; E462-I487 HydrophobicContact CG-CG2 4.44Å; E462-I488 PolarHBondContact N-O 2.81Å; E462-V489 CarbonylContact O-C 3.5Å; E462-V489 WeakPolarHBondContact O-CA 3.06Å; E462-V490 PolarHBondContact O-N 2.81Å
463G97.3Very high95.9Very high3 Ų335.6 Ų35.63%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-73.6153.8155.500000109.7T410 S465 A466 F467T410-G463 WeakPolarHBondContact OG1-CA 3.48Å; G463-S465 VanDerWaalsContact C-N 3.32Å; G463-S465 PolarHBondContact O-N 2.76Å; G463-A466 WeakPolarHBondContact O-CB 3.38Å; G463-A466 PolarHBondContact O-N 3.44Å; G463-A466 VanDerWaalsContact O-N 3.16Å; G463-F467 WeakPolarHBondContact O-CB 3.48Å; G463-F467 PolarHBondContact O-N 3.42Å
464D96.1Very high96.4Very high4 Ų427.1 Ų27.12%0.02115%0.149CC..Hα-helixtrans-53.5-44.9174.259.1-19.1000113.2G468 V489 V490 N491 N492 N493 G494 Y528D464-G468 PolarHBondContact O-N 2.93Å; D464-G468 VanDerWaalsContact O-N 3.17Å; D464-V489 HydrophobicContact CB-CG1 4.09Å; D464-V490 PolarHBondContact N-O 2.74Å; D464-N491 HydrophobicContact CB-CB 4.23Å; D464-N491 PolarHBondContact OD2-OD1 2.99Å; D464-N492 PolarHBondContact OD1-OD1 3.37Å; D464-N493 VanDerWaalsContact OD2-CA 3.3Å; D464-N493 WeakPolarHBondContact OD2-CA 3.27Å; D464-N493 PolarHBondContact OD2-N 3.25Å; D464-N493 VanDerWaalsContact OD2-N 3.13Å; D464-G494 PolarHBondContact OD2-N 3.08Å; D464-Y528 HydrophobicContact CB-CE2 3.68Å
465S95.6Very high96.7Very high16 Ų1620.8 Ų20.811%0.11212%0.122CC..Hα-helixtrans-62.8-45.1175.1177.50000112.3G463 G468 F469G463-S465 VanDerWaalsContact C-N 3.32Å; G463-S465 PolarHBondContact O-N 2.76Å; S465-G468 PolarHBondContact O-N 3.25Å; S465-F469 WeakPolarHBondContact O-CD2 3.35Å
466A96.3Very high96.8Very high0 Ų018 Ų180%010%0.104CC..Hα-helixtrans-61.7-45.8179.100000111.8E406 M435 G463 G468 F469E406-A466 HydrophobicContact CB-CB 4.05Å; E406-A466 HydrophobicContact CG-CB 4.21Å; E406-A466 WeakPolarHBondContact OE1-CB 3.06Å; M435-A466 HydrophobicContact CE-CB 4.1Å; G463-A466 WeakPolarHBondContact O-CB 3.38Å; G463-A466 PolarHBondContact O-N 3.44Å; G463-A466 VanDerWaalsContact O-N 3.16Å; A466-G468 PolarHBondContact O-N 2.94Å; A466-F469 PolarHBondContact O-N 3.45Å
467F97.5Very high96.8Very high5 Ų516.9 Ų16.92%0.02210%0.099CC..Hα-helixtrans-55.2-41.3174.6178.3-94.4000111.5L439 E462 G463 F469 S470 G471 V474 I487 V489 Y528 L564L439-F467 HydrophobicContact CD1-CD2 4.01Å; L439-F467 HydrophobicContact CD1-CE2 4.33Å; L439-F467 HydrophobicContact CD2-CE2 4.1Å; E462-F467 HydrophobicContact CB-CB 4.12Å; G463-F467 WeakPolarHBondContact O-CB 3.48Å; G463-F467 PolarHBondContact O-N 3.42Å; F467-F469 PolarHBondContact O-N 3.42Å; F467-F469 VanDerWaalsContact O-N 3.15Å; F467-S470 PolarHBondContact O-N 3.2Å; F467-G471 VanDerWaalsContact O-CA 3.26Å; F467-G471 WeakPolarHBondContact O-CA 3.4Å; F467-G471 PolarHBondContact O-N 2.8Å; F467-V474 HydrophobicContact CE2-CG2 3.94Å; F467-V474 HydrophobicContact CZ-CG2 3.87Å; F467-I487 HydrophobicContact CD2-CG2 4.25Å; F467-I487 HydrophobicContact CE2-CD1 4.42Å; F467-I487 HydrophobicContact CE2-CG2 4.26Å; F467-V489 HydrophobicContact CB-CG1 4.47Å; F467-V489 HydrophobicContact CB-CG2 4.18Å; F467-V489 HydrophobicContact CD2-CG2 3.79Å; F467-V489 HydrophobicContact CE2-CG2 4.34Å; F467-V489 HydrophobicContact CG-CG2 3.9Å; F467-Y528 AromaticContact CD1-CD1 3.46Å; F467-Y528 HydrophobicContact CD1-CD1 3.46Å; F467-Y528 VanDerWaalsContact CD1-CD1 3.46Å; F467-Y528 AromaticContact CD1-CE1 3.89Å; F467-Y528 HydrophobicContact CD1-CE1 3.89Å; F467-Y528 HydrophobicContact CD1-CG 4.02Å; F467-Y528 AromaticContact CE1-CD1 3.51Å; F467-Y528 HydrophobicContact CE1-CD1 3.51Å; F467-Y528 HydrophobicContact CE1-CE1 4.28Å; F467-Y528 HydrophobicContact CE1-CG 4.09Å; F467-L564 HydrophobicContact CD2-CD1 4.46Å; F467-L564 HydrophobicContact CE2-CD1 3.56Å; F467-L564 HydrophobicContact CZ-CD1 3.65Å
468G95.8Very high96.5Very high54 Ų5416.9 Ų16.956%0.55710%0.1SC*.Hα-helixtrans-56.3-30.2-17900000115.2D464 S465 A466 S470D464-G468 PolarHBondContact O-N 2.93Å; D464-G468 VanDerWaalsContact O-N 3.17Å; S465-G468 PolarHBondContact O-N 3.25Å; A466-G468 PolarHBondContact O-N 2.94Å; G468-S470 PolarHBondContact O-N 3.18Å
469F95.9Very high95.3Very high120 Ų12020 Ų2053%0.52612%0.121SC..Hα-helixtrans-69.6-31.1-178.6-75.9-89.9000113.8M435 S465 A466 F467M435-F469 HydrophobicContact CB-CD2 3.86Å; M435-F469 HydrophobicContact CB-CE2 3.74Å; M435-F469 HydrophobicContact CB-CG 4.39Å; M435-F469 HydrophobicContact CB-CZ 4.15Å; M435-F469 HydrophobicContact CE-CD2 4.33Å; M435-F469 HydrophobicContact CE-CE2 3.74Å; M435-F469 HydrophobicContact SD-CE2 4.14Å; S465-F469 WeakPolarHBondContact O-CD2 3.35Å; A466-F469 PolarHBondContact O-N 3.45Å; F467-F469 PolarHBondContact O-N 3.42Å; F467-F469 VanDerWaalsContact O-N 3.15Å
470S96.3Very high94.9Very high10 Ų1024.5 Ų24.57%0.0714%0.138CC..Hα-helixtrans-131.28.2-175.2610000113.8G436 L439 F467 G468 M472 E473G436-S470 WeakPolarHBondContact O-CB 3.42Å; G436-S470 PolarHBondContact O-OG 2.87Å; L439-S470 WeakPolarHBondContact CD2-O 3.26Å; F467-S470 PolarHBondContact O-N 3.2Å; G468-S470 PolarHBondContact O-N 3.18Å; S470-M472 PolarHBondContact O-N 2.78Å; S470-E473 VanDerWaalsContact O-CB 3.3Å; S470-E473 WeakPolarHBondContact O-CB 3.4Å; S470-E473 WeakPolarHBondContact O-CG 3.34Å; S470-E473 PolarHBondContact O-N 3.36Å
471G96.1Very high94.6Very high8 Ų828.2 Ų28.28%0.08215%0.153CC..THydrogen-bonded Turntrans-55.9-23.7-171.800000115.4F467 E473 V474F467-G471 VanDerWaalsContact O-CA 3.26Å; F467-G471 WeakPolarHBondContact O-CA 3.4Å; F467-G471 PolarHBondContact O-N 2.8Å; G471-E473 PolarHBondContact O-N 3.29Å; G471-V474 VanDerWaalsContact O-CB 3.32Å; G471-V474 WeakPolarHBondContact O-CB 3.44Å; G471-V474 WeakPolarHBondContact O-CG2 3.19Å; G471-V474 PolarHBondContact O-N 3.49Å; G471-V474 VanDerWaalsContact O-N 3.17Å
472M96.4Very high94.4Very high99 Ų9932.2 Ų32.249%0.48818%0.175SC..THydrogen-bonded Turntrans-68.1-18.6175.1-164.659.567.400112.9R64 S470 V474 E475 F535R64-M472 HydrophobicContact CB-CG 4.26Å; R64-M472 HydrophobicContact CG-CG 4.18Å; S470-M472 PolarHBondContact O-N 2.78Å; M472-V474 PolarHBondContact O-N 2.97Å; M472-E475 WeakPolarHBondContact O-CB 3.35Å; M472-E475 PolarHBondContact O-N 3.02Å; M472-F535 HydrophobicContact SD-CE2 4.15Å; M472-F535 HydrophobicContact SD-CZ 3.97Å
473E97.6Very high94.2Very high3 Ų332.8 Ų32.81%0.01418%0.177CC..Hα-helixtrans-69.4-6.4173.3-62-62163.800113M63 R64 N65 A68 L439 I443 S470 G471 E475 T476 M477M63-E473 HydrophobicContact CE-CG 4.28Å; M63-E473 WeakPolarHBondContact CE-OE2 3.33Å; R64-E473 WeakPolarHBondContact CA-OE1 3.48Å; R64-E473 WeakPolarHBondContact CB-OE1 3.2Å; R64-E473 PolarHBondContact N-OE1 3.12Å; R64-E473 PolarHBondContact N-OE2 3.1Å; N65-E473 PolarHBondContact N-OE1 3.45Å; A68-E473 HydrophobicContact CB-CG 3.93Å; L439-E473 HydrophobicContact CB-CB 3.99Å; L439-E473 HydrophobicContact CD2-CB 4.08Å; I443-E473 HydrophobicContact CD1-CB 3.81Å; S470-E473 VanDerWaalsContact O-CB 3.3Å; S470-E473 WeakPolarHBondContact O-CB 3.4Å; S470-E473 WeakPolarHBondContact O-CG 3.34Å; S470-E473 PolarHBondContact O-N 3.36Å; G471-E473 PolarHBondContact O-N 3.29Å; E473-E475 PolarHBondContact O-N 2.93Å; E473-T476 WeakPolarHBondContact O-CB 3.17Å; E473-T476 PolarHBondContact O-N 2.86Å; E473-T476 WeakPolarHBondContact OE2-CB 3.32Å; E473-T476 PolarHBondContact OE2-OG1 2.91Å; E473-M477 PolarHBondContact O-N 3.14Å
474V97.3Very high94Very high0 Ų033.6 Ų33.60%018%0.182CC..Hα-helixtrans-56.1-38.2163.5171.20000110.7L439 F467 G471 M472 T476 M477 C478 I487 V531 M532 F535L439-V474 HydrophobicContact CD2-CG2 3.9Å; F467-V474 HydrophobicContact CE2-CG2 3.94Å; F467-V474 HydrophobicContact CZ-CG2 3.87Å; G471-V474 VanDerWaalsContact O-CB 3.32Å; G471-V474 WeakPolarHBondContact O-CB 3.44Å; G471-V474 WeakPolarHBondContact O-CG2 3.19Å; G471-V474 PolarHBondContact O-N 3.49Å; G471-V474 VanDerWaalsContact O-N 3.17Å; M472-V474 PolarHBondContact O-N 2.97Å; V474-T476 VanDerWaalsContact C-N 3.35Å; V474-T476 PolarHBondContact O-N 3.48Å; V474-M477 PolarHBondContact O-N 3.33Å; V474-C478 WeakPolarHBondContact O-CB 3.44Å; V474-C478 PolarHBondContact O-N 3.46Å; V474-C478 PolarHBondContact O-SG 3.05Å; V474-I487 HydrophobicContact CG2-CD1 3.94Å; V474-V531 HydrophobicContact CB-CG1 4.36Å; V474-V531 HydrophobicContact CG1-CG1 4.4Å; V474-M532 HydrophobicContact CG1-CB 4.33Å; V474-M532 HydrophobicContact CG1-CE 3.79Å; V474-M532 HydrophobicContact CG1-SD 3.99Å; V474-M532 HydrophobicContact CG2-CE 4.32Å; V474-F535 HydrophobicContact CG1-CD2 4.13Å
475E96.8Very high94Very high22 Ų2233.4 Ų33.410%0.10318%0.181CC..Hα-helixtrans-60.2-45175-176.9-82.2157.100111.7R64 M472 E473 M477 S479 R480 F535R64-E475 WeakPolarHBondContact CD-OE2 3.26Å; M472-E475 WeakPolarHBondContact O-CB 3.35Å; M472-E475 PolarHBondContact O-N 3.02Å; E473-E475 PolarHBondContact O-N 2.93Å; E475-M477 VanDerWaalsContact C-N 3.33Å; E475-M477 PolarHBondContact O-N 2.83Å; E475-S479 PolarHBondContact O-N 2.98Å; E475-R480 VanDerWaalsContact CD-NE 3.28Å; E475-R480 WeakPolarHBondContact OE1-CD 3.44Å; E475-R480 WeakPolarHBondContact OE1-CG 3.22Å; E475-R480 IonicContact OE1-CZ 3.55Å; E475-R480 IonicContact OE1-NE 2.71Å; E475-R480 PolarHBondContact OE1-NE 2.94Å; E475-R480 IonicContact OE2-CZ 3.68Å; E475-R480 IonicContact OE2-NE 3.59Å; E475-R480 PolarHBondContact OE2-NE 3.11Å; E475-R480 IonicContact OE2-NH2 3.47Å; E475-R480 PolarHBondContact OE2-NH2 2.84Å; E475-F535 HydrophobicContact CB-CD1 3.73Å; E475-F535 HydrophobicContact CB-CD2 3.88Å; E475-F535 HydrophobicContact CB-CE1 3.67Å; E475-F535 HydrophobicContact CB-CE2 3.82Å; E475-F535 HydrophobicContact CB-CG 3.85Å; E475-F535 HydrophobicContact CB-CZ 3.72Å; E475-F535 HydrophobicContact CG-CD1 3.53Å; E475-F535 HydrophobicContact CG-CE1 3.44Å; E475-F535 VanDerWaalsContact CG-CE1 3.44Å; E475-F535 HydrophobicContact CG-CG 4.15Å; E475-F535 HydrophobicContact CG-CZ 3.98Å
476T96.3Very high94.2Very high0 Ų032.7 Ų32.70%018%0.176CC..Iπ-helixtrans-57.8-48.4176.6-56.10000110.7V61 G62 M63 I443 E473 V474 R480 Y481V61-T476 HydrophobicContact CG1-CG2 4.03Å; G62-T476 WeakPolarHBondContact O-CG2 3.27Å; M63-T476 HydrophobicContact SD-CG2 3.91Å; I443-T476 HydrophobicContact CD1-CG2 4.05Å; E473-T476 WeakPolarHBondContact O-CB 3.17Å; E473-T476 PolarHBondContact O-N 2.86Å; E473-T476 WeakPolarHBondContact OE2-CB 3.32Å; E473-T476 PolarHBondContact OE2-OG1 2.91Å; V474-T476 VanDerWaalsContact C-N 3.35Å; V474-T476 PolarHBondContact O-N 3.48Å; T476-R480 PolarHBondContact OG1-NH2 3.44Å; T476-Y481 HydrophobicContact CG2-CD2 3.8Å; T476-Y481 HydrophobicContact CG2-CE2 4.01Å; T476-Y481 WeakPolarHBondContact O-CD2 3.27Å; T476-Y481 PolarHBondContact O-N 3.24Å
477M93.9Very high94.3Very high0 Ų032.7 Ų32.70%018%0.176CC..Iπ-helixtrans-66.8-44.2-177.1-176.8-170.2-61.700112.9I443 E473 V474 E475 N482 L483 V485 I487 M532 P562I443-M477 HydrophobicContact CG1-CB 4.37Å; I443-M477 HydrophobicContact CG1-CE 4.12Å; E473-M477 PolarHBondContact O-N 3.14Å; V474-M477 PolarHBondContact O-N 3.33Å; E475-M477 VanDerWaalsContact C-N 3.33Å; E475-M477 PolarHBondContact O-N 2.83Å; M477-N482 CarbonylContact O-C 3.55Å; M477-N482 VanDerWaalsContact O-CA 3.3Å; M477-N482 WeakPolarHBondContact O-CA 3.49Å; M477-N482 PolarHBondContact O-N 3.13Å; M477-N482 VanDerWaalsContact O-N 3.07Å; M477-L483 HydrophobicContact CG-CB 4.03Å; M477-L483 PolarHBondContact O-N 3.22Å; M477-V485 HydrophobicContact CE-CB 3.93Å; M477-V485 HydrophobicContact CE-CG1 3.91Å; M477-V485 HydrophobicContact CE-CG2 4.13Å; M477-V485 HydrophobicContact CG-CB 4.32Å; M477-V485 HydrophobicContact CG-CG2 4.35Å; M477-V485 HydrophobicContact SD-CB 3.54Å; M477-V485 VanDerWaalsContact SD-CB 3.54Å; M477-V485 HydrophobicContact SD-CG1 4.03Å; M477-V485 HydrophobicContact SD-CG2 4.1Å; M477-I487 HydrophobicContact CE-CD1 3.81Å; M477-I487 HydrophobicContact CE-CG1 4.27Å; M477-I487 HydrophobicContact SD-CD1 3.93Å; M477-I487 HydrophobicContact SD-CG1 4.3Å; M477-M532 HydrophobicContact SD-CE 4.43Å; M477-P562 HydrophobicContact CG-CB 3.86Å; M477-P562 HydrophobicContact CG-CG 4.22Å; M477-P562 HydrophobicContact SD-CB 3.79Å
478C89.5Confident94.3Very high7 Ų732.5 Ų32.55%0.04718%0.175CC..Iπ-helixtrans-81-74.4-176.4-56.90000112.1V474 R480 N482 M532 F535 P562V474-C478 WeakPolarHBondContact O-CB 3.44Å; V474-C478 PolarHBondContact O-N 3.46Å; V474-C478 PolarHBondContact O-SG 3.05Å; C478-R480 PolarHBondContact O-N 3.33Å; C478-N482 WeakPolarHBondContact O-CA 3.11Å; C478-N482 PolarHBondContact O-N 2.82Å; C478-M532 PolarHBondContact SG-SD 3.23Å; C478-F535 HydrophobicContact CB-CB 3.95Å; C478-F535 VanDerWaalsContact CB-O 3.29Å; C478-F535 WeakPolarHBondContact CB-O 3.44Å; C478-P562 HydrophobicContact CB-CG 3.93Å; C478-P562 WeakPolarHBondContact SG-CG 3.3Å
479S73.7Confident94.4Very high68 Ų6829.9 Ų29.948%0.47615%0.149SC..Iπ-helixtrans-74.9-28.8-160.1-50.20000112.8E475 F535E475-S479 PolarHBondContact O-N 2.98Å; S479-F535 WeakPolarHBondContact OG-CB 3.4Å; S479-F535 PolarHBondContact OG-O 3.41Å
480R89.3Confident94.5Very high95 Ų9524.2 Ų24.236%0.35812%0.124SC..Iπ-helixtrans-98.9-43.1-173.1-69.9-168-78.4144.64.7114.1G62 E475 T476 C478G62-R480 VanDerWaalsContact C-NH1 3.31Å; G62-R480 PolarHBondContact O-NH1 3.35Å; G62-R480 PolarHBondContact O-NH2 3.42Å; E475-R480 VanDerWaalsContact CD-NE 3.28Å; E475-R480 WeakPolarHBondContact OE1-CD 3.44Å; E475-R480 WeakPolarHBondContact OE1-CG 3.22Å; E475-R480 IonicContact OE1-CZ 3.55Å; E475-R480 IonicContact OE1-NE 2.71Å; E475-R480 PolarHBondContact OE1-NE 2.94Å; E475-R480 IonicContact OE2-CZ 3.68Å; E475-R480 IonicContact OE2-NE 3.59Å; E475-R480 PolarHBondContact OE2-NE 3.11Å; E475-R480 IonicContact OE2-NH2 3.47Å; E475-R480 PolarHBondContact OE2-NH2 2.84Å; T476-R480 PolarHBondContact OG1-NH2 3.44Å; C478-R480 PolarHBondContact O-N 3.33Å
481Y93.5Very high94.6Very high79 Ų7923.8 Ų23.831%0.3112%0.121SC..THydrogen-bonded Turntrans-119.8-7.6-171.9-62.3-70.1000114.8Y60 V61 G62 T476 L483Y60-Y481 PolarHBondContact O-OH 3.47Å; V61-Y481 WeakPolarHBondContact CA-OH 3.41Å; V61-Y481 HydrophobicContact CB-CE2 4.35Å; V61-Y481 HydrophobicContact CG1-CD2 3.81Å; V61-Y481 HydrophobicContact CG1-CE2 3.63Å; V61-Y481 HydrophobicContact CG1-CG 4.47Å; G62-Y481 PolarHBondContact N-OH 2.99Å; T476-Y481 HydrophobicContact CG2-CD2 3.8Å; T476-Y481 HydrophobicContact CG2-CE2 4.01Å; T476-Y481 WeakPolarHBondContact O-CD2 3.27Å; T476-Y481 PolarHBondContact O-N 3.24Å; Y481-L483 VanDerWaalsContact C-N 3.28Å; Y481-L483 PolarHBondContact O-N 3.09Å
482N92.9Very high94.6Very high84 Ų8423.5 Ų23.545%0.44912%0.117SC..  trans46.849178.2-161.548.2000113.5M477 C478 E560M477-N482 CarbonylContact O-C 3.55Å; M477-N482 VanDerWaalsContact O-CA 3.3Å; M477-N482 WeakPolarHBondContact O-CA 3.49Å; M477-N482 PolarHBondContact O-N 3.13Å; M477-N482 VanDerWaalsContact O-N 3.07Å; C478-N482 WeakPolarHBondContact O-CA 3.11Å; C478-N482 PolarHBondContact O-N 2.82Å; N482-E560 PolarHBondContact ND2-O 3.34Å; N482-E560 PolarHBondContact OD1-O 2.97Å
483L94.6Very high94.6Very high11 Ų1119.2 Ų19.26%0.05810%0.096CC..  trans-80.5126.2-176.3-62.9176.8000109.8I443 A446 T450 M477 Y481 V485 P562I443-L483 HydrophobicContact CB-CD1 4.24Å; I443-L483 HydrophobicContact CG1-CD1 4.24Å; I443-L483 HydrophobicContact CG2-CD1 3.81Å; A446-L483 HydrophobicContact CB-CB 3.99Å; A446-L483 HydrophobicContact CB-CD1 4.32Å; A446-L483 HydrophobicContact CB-CD2 4.33Å; A446-L483 HydrophobicContact CB-CG 4.44Å; T450-L483 HydrophobicContact CG2-CD2 4.08Å; M477-L483 HydrophobicContact CG-CB 4.03Å; M477-L483 PolarHBondContact O-N 3.22Å; Y481-L483 VanDerWaalsContact C-N 3.28Å; Y481-L483 PolarHBondContact O-N 3.09Å; L483-V485 HydrophobicContact CB-CG2 4.37Å; L483-V485 PolarHBondContact O-N 2.93Å; L483-P562 VanDerWaalsContact O-CB 3.31Å; L483-P562 WeakPolarHBondContact O-CB 3.48Å
484P91.9Very high94.4Very high21 Ų2119.2 Ų19.214%0.13610%0.097CC..  trans-82.255.9-169.834.4-38.1000113.4R457 W559R457-P484 PolarHBondContact NH1-O 2.89Å; P484-W559 HydrophobicContact CB-CE3 4.25Å; P484-W559 WeakPolarHBondContact CB-O 3.46Å; P484-W559 HydrophobicContact CG-CE3 3.98Å; P484-W559 HydrophobicContact CG-CZ3 4.47Å
485V97.4Very high94.2Very high0 Ų022 Ų220%011%0.111CC..EExtended strand (participates in β ladder)trans-87.7139.3177.6178.50000110A442 A446 V458 C460 M477 L483 I487 P562 S563A442-V485 HydrophobicContact CB-CG1 3.95Å; A442-V485 HydrophobicContact CB-CG2 4.49Å; A446-V485 HydrophobicContact CB-CG2 3.59Å; V458-V485 HydrophobicContact CB-CG2 4.23Å; V458-V485 HydrophobicContact CG1-CG1 4.25Å; V458-V485 HydrophobicContact CG1-CG2 4.27Å; C460-V485 HydrophobicContact CB-CG1 4.17Å; M477-V485 HydrophobicContact CE-CB 3.93Å; M477-V485 HydrophobicContact CE-CG1 3.91Å; M477-V485 HydrophobicContact CE-CG2 4.13Å; M477-V485 HydrophobicContact CG-CB 4.32Å; M477-V485 HydrophobicContact CG-CG2 4.35Å; M477-V485 HydrophobicContact SD-CB 3.54Å; M477-V485 VanDerWaalsContact SD-CB 3.54Å; M477-V485 HydrophobicContact SD-CG1 4.03Å; M477-V485 HydrophobicContact SD-CG2 4.1Å; L483-V485 HydrophobicContact CB-CG2 4.37Å; L483-V485 PolarHBondContact O-N 2.93Å; V485-I487 HydrophobicContact CG1-CG1 4.14Å; V485-P562 WeakPolarHBondContact O-CA 3.05Å; V485-S563 PolarHBondContact O-N 3.48Å; V485-S563 VanDerWaalsContact O-N 3.08Å
486I98.4Very high93.7Very high1 Ų128 Ų281%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-103.6111.6171.8-54.4172.5000108V458 V459 C460 I488 L552 C555 L556 L565V458-I486 PolarHBondContact O-N 3.4Å; V459-I486 CarbonylContact C-O 3.51Å; V459-I486 WeakPolarHBondContact CA-O 3.46Å; V459-I486 HydrophobicContact CG2-CB 4.38Å; C460-I486 PolarHBondContact N-O 2.96Å; I486-I488 HydrophobicContact CG2-CG1 4.27Å; I486-L552 HydrophobicContact CD1-CD1 4.49Å; I486-L552 HydrophobicContact CG2-CD1 4.05Å; I486-C555 HydrophobicContact CD1-CB 3.87Å; I486-C555 WeakPolarHBondContact CD1-O 3.47Å; I486-C555 HydrophobicContact CG1-CB 4.05Å; I486-C555 HydrophobicContact CG2-CB 4.02Å; I486-L556 HydrophobicContact CD1-CD2 3.69Å; I486-L556 HydrophobicContact CD1-CG 4.02Å; I486-L565 HydrophobicContact CG2-CD1 3.9Å
487I98.5Very high93.4Very high0 Ų030.6 Ų30.60%015%0.152CC..EExtended strand (participates in β ladder)trans-91.9132.6174.7-53176.7000108.4L439 C460 E462 F467 V474 M477 V485 V489 M532 S563 L564 L565L439-I487 HydrophobicContact CD2-CD1 4.45Å; L439-I487 HydrophobicContact CG-CD1 4.41Å; C460-I487 HydrophobicContact CB-CG1 4.25Å; C460-I487 CarbonylContact O-C 3.53Å; C460-I487 WeakPolarHBondContact O-CA 3.41Å; E462-I487 HydrophobicContact CG-CG2 4.44Å; F467-I487 HydrophobicContact CD2-CG2 4.25Å; F467-I487 HydrophobicContact CE2-CD1 4.42Å; F467-I487 HydrophobicContact CE2-CG2 4.26Å; V474-I487 HydrophobicContact CG2-CD1 3.94Å; M477-I487 HydrophobicContact CE-CD1 3.81Å; M477-I487 HydrophobicContact CE-CG1 4.27Å; M477-I487 HydrophobicContact SD-CD1 3.93Å; M477-I487 HydrophobicContact SD-CG1 4.3Å; V485-I487 HydrophobicContact CG1-CG1 4.14Å; I487-V489 HydrophobicContact CG2-CG2 4.04Å; I487-M532 HydrophobicContact CD1-CE 3.78Å; I487-M532 HydrophobicContact CG1-CE 4.41Å; I487-S563 PolarHBondContact N-O 3.21Å; I487-L564 HydrophobicContact CB-CB 4.26Å; I487-L564 HydrophobicContact CB-CD1 4.26Å; I487-L564 HydrophobicContact CB-CG 3.99Å; I487-L564 HydrophobicContact CD1-CD1 4.34Å; I487-L564 HydrophobicContact CG2-CD1 4.03Å; I487-L564 HydrophobicContact CG2-CG 4.01Å; I487-L564 CarbonylContact O-C 3.47Å; I487-L564 VanDerWaalsContact O-CA 3.28Å; I487-L564 WeakPolarHBondContact O-CA 3.47Å; I487-L565 PolarHBondContact O-N 3.21Å
488I98.7Very high93.3Very high0 Ų031.3 Ų31.30%016%0.16CC..EExtended strand (participates in β ladder)trans-124.4105.8173.7-54.3177.1000106.8I393 V459 C460 V461 E462 I486 L552 L565 V567I393-I488 HydrophobicContact CD1-CD1 3.84Å; I393-I488 HydrophobicContact CD1-CG2 3.89Å; I393-I488 HydrophobicContact CG1-CD1 4.03Å; I393-I488 HydrophobicContact CG2-CD1 4.23Å; V459-I488 HydrophobicContact CG1-CD1 3.86Å; V459-I488 HydrophobicContact CG1-CG1 4.32Å; C460-I488 PolarHBondContact O-N 3.26Å; V461-I488 WeakPolarHBondContact CA-O 3.32Å; E462-I488 PolarHBondContact N-O 2.81Å; I486-I488 HydrophobicContact CG2-CG1 4.27Å; I488-L552 HydrophobicContact CD1-CD1 4.16Å; I488-L565 CarbonylContact C-O 3.53Å; I488-L565 WeakPolarHBondContact CA-O 3.41Å; I488-V567 HydrophobicContact CG2-CG2 3.86Å
489V98.5Very high93.6Very high0 Ų031.9 Ų31.90%016%0.163CC..EExtended strand (participates in β ladder)trans-89.2115.7174.1-176.30000107.7E462 D464 F467 I487 N491 Y528 L564 L565 V567E462-V489 CarbonylContact O-C 3.5Å; E462-V489 WeakPolarHBondContact O-CA 3.06Å; D464-V489 HydrophobicContact CB-CG1 4.09Å; F467-V489 HydrophobicContact CB-CG1 4.47Å; F467-V489 HydrophobicContact CB-CG2 4.18Å; F467-V489 HydrophobicContact CD2-CG2 3.79Å; F467-V489 HydrophobicContact CE2-CG2 4.34Å; F467-V489 HydrophobicContact CG-CG2 3.9Å; I487-V489 HydrophobicContact CG2-CG2 4.04Å; V489-N491 HydrophobicContact CG1-CB 4.35Å; V489-N491 PolarHBondContact O-N 2.72Å; V489-Y528 HydrophobicContact CG1-CD2 4.02Å; V489-Y528 HydrophobicContact CG1-CE2 4.42Å; V489-L564 HydrophobicContact CG2-CD1 4.24Å; V489-L564 HydrophobicContact CG2-CD2 4.04Å; V489-L564 HydrophobicContact CG2-CG 4.25Å; V489-L565 PolarHBondContact N-O 3.05Å; V489-V567 PolarHBondContact O-N 3.01Å
490V97.9Very high94.5Very high0 Ų031.9 Ų31.90%016%0.157CC..EExtended strand (participates in β ladder)trans-89.5101172.2-172.20000107.4Y386 V389 F390 T410 V461 E462 D464 I569Y386-V490 HydrophobicContact CD1-CG1 3.64Å; Y386-V490 HydrophobicContact CE1-CB 4.33Å; Y386-V490 HydrophobicContact CE1-CG1 3.52Å; V389-V490 HydrophobicContact CG1-CG2 4.27Å; F390-V490 HydrophobicContact CE1-CG2 4.04Å; F390-V490 HydrophobicContact CZ-CG2 4.24Å; T410-V490 HydrophobicContact CG2-CB 4.08Å; T410-V490 HydrophobicContact CG2-CG2 3.92Å; V461-V490 HydrophobicContact CG1-CG2 4.42Å; E462-V490 PolarHBondContact O-N 2.81Å; D464-V490 PolarHBondContact N-O 2.74Å; V490-I569 HydrophobicContact CG1-CD1 3.56Å; V490-I569 HydrophobicContact CG1-CG1 4.04Å; V490-I569 HydrophobicContact CG1-CG2 4Å
491N97.3Very high94.7Very high1 Ų128.8 Ų28.81%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-103.5106.7-165.4-177-4.3000111.1D464 V489 N493 N566 V567 L568 I569D464-N491 HydrophobicContact CB-CB 4.23Å; D464-N491 PolarHBondContact OD2-OD1 2.99Å; V489-N491 HydrophobicContact CG1-CB 4.35Å; V489-N491 PolarHBondContact O-N 2.72Å; N491-N493 PolarHBondContact OD1-N 2.87Å; N491-N493 PolarHBondContact OD1-OD1 2.93Å; N491-N566 WeakPolarHBondContact CB-OD1 3.48Å; N491-N566 PolarHBondContact ND2-OD1 2.91Å; N491-N566 VanDerWaalsContact ND2-OD1 3.11Å; N491-V567 PolarHBondContact N-O 2.62Å; N491-L568 HydrophobicContact CB-CD2 4.05Å; N491-L568 WeakPolarHBondContact ND2-CD2 3.44Å; N491-I569 VanDerWaalsContact O-CG1 3.28Å; N491-I569 WeakPolarHBondContact O-CG1 3.46Å; N491-I569 PolarHBondContact O-N 2.57Å
492N95.9Very high94.8Very high3 Ų329.9 Ų29.92%0.01616%0.163CC..  trans-106.115174.168.1-31.8000112.3Y386 D464 G494 Y496 G498 I569 P571Y386-N492 PolarHBondContact OH-ND2 2.9Å; D464-N492 PolarHBondContact OD1-OD1 3.37Å; N492-G494 VanDerWaalsContact C-N 3.3Å; N492-G494 PolarHBondContact ND2-O 3.06Å; N492-G494 PolarHBondContact O-N 2.74Å; N492-G494 PolarHBondContact OD1-O 2.97Å; N492-Y496 PolarHBondContact ND2-O 3.22Å; N492-Y496 VanDerWaalsContact ND2-O 3.15Å; N492-G498 WeakPolarHBondContact O-CA 3.36Å; N492-G498 PolarHBondContact O-N 3.3Å; N492-I569 HydrophobicContact CB-CD1 3.82Å; N492-I569 HydrophobicContact CB-CG1 3.77Å; N492-P571 WeakPolarHBondContact O-CA 3.11Å; N492-P571 WeakPolarHBondContact O-CB 3.35Å
493N96Very high94.8Very high9 Ų928.4 Ų28.45%0.04816%0.158CC..SBendtrans59.531.1-178-47.8-34.8000114D464 N491 G498 V499 L522 P524 E525D464-N493 VanDerWaalsContact OD2-CA 3.3Å; D464-N493 WeakPolarHBondContact OD2-CA 3.27Å; D464-N493 PolarHBondContact OD2-N 3.25Å; D464-N493 VanDerWaalsContact OD2-N 3.13Å; N491-N493 PolarHBondContact OD1-N 2.87Å; N491-N493 PolarHBondContact OD1-OD1 2.93Å; N493-G498 VanDerWaalsContact O-CA 3.27Å; N493-G498 WeakPolarHBondContact O-CA 3.31Å; N493-V499 WeakPolarHBondContact CB-O 3.15Å; N493-V499 PolarHBondContact ND2-O 2.87Å; N493-L522 PolarHBondContact O-N 3.31Å; N493-P524 HydrophobicContact CB-CB 4.45Å; N493-P524 VanDerWaalsContact CG-CA 3.49Å; N493-E525 PolarHBondContact OD1-N 2.98Å
494G93.7Very high94.9Very high2 Ų230.5 Ų30.52%0.02117%0.165CC..BIsolated β-bridgetrans175167.3-176.100000118.6D464 N492 Y496 V520D464-G494 PolarHBondContact OD2-N 3.08Å; N492-G494 VanDerWaalsContact C-N 3.3Å; N492-G494 PolarHBondContact ND2-O 3.06Å; N492-G494 PolarHBondContact O-N 2.74Å; N492-G494 PolarHBondContact OD1-O 2.97Å; G494-Y496 PolarHBondContact O-N 3.22Å; G494-V520 CarbonylContact C-O 3.54Å; G494-V520 WeakPolarHBondContact CA-O 3.42Å
495I92.6Very high95Very high59 Ų5934.8 Ų34.830%0.30318%0.181SC..SBendtrans-81.8111.6173.7-44.5-176.9000108.4S497 V520I495-S497 PolarHBondContact O-N 3.47Å; I495-V520 HydrophobicContact CB-CB 4.45Å; I495-V520 PolarHBondContact N-O 2.8Å
496Y88.3Confident94.9Very high147 Ų14739 Ų3958%0.57620%0.201SC*.SBendtrans67.8-51.7-169.9-57.7-86.5000114.4A408 N409 N492 G494A408-Y496 HydrophobicContact CB-CD1 3.69Å; A408-Y496 HydrophobicContact CB-CE1 3.32Å; A408-Y496 HydrophobicContact CB-CG 4.43Å; N409-Y496 PolarHBondContact ND2-O 3.15Å; N492-Y496 PolarHBondContact ND2-O 3.22Å; N492-Y496 VanDerWaalsContact ND2-O 3.15Å; G494-Y496 PolarHBondContact O-N 3.22Å
497S89.8Confident94.8Very high56 Ų5640.5 Ų40.539%0.39221%0.208SC..SBendtrans-141145.3178.458.50000110.2I495I495-S497 PolarHBondContact O-N 3.47Å
498G91.9Very high94.5Very high15 Ų1542.8 Ų42.816%0.15523%0.227CC..  trans-122.4-168.1174.900000112.9N492 N493 P571N492-G498 WeakPolarHBondContact O-CA 3.36Å; N492-G498 PolarHBondContact O-N 3.3Å; N493-G498 VanDerWaalsContact O-CA 3.27Å; N493-G498 WeakPolarHBondContact O-CA 3.31Å; G498-P571 PolarHBondContact N-O 3.03Å; G498-P571 VanDerWaalsContact N-O 3.08Å; G498-P571 WeakPolarHBondContact O-CB 3.34Å
499V93.9Very high94.4Very high18 Ų1850 Ų5011%0.10926%0.259CS..  trans-121.6153.1172.7-63.10000110.3N493 T503 W504 M507 P524N493-V499 WeakPolarHBondContact CB-O 3.15Å; N493-V499 PolarHBondContact ND2-O 2.87Å; V499-T503 HydrophobicContact CB-CG2 3.98Å; V499-T503 HydrophobicContact CG1-CG2 4.08Å; V499-W504 HydrophobicContact CG2-CB 4.19Å; V499-W504 HydrophobicContact CG2-CE3 3.82Å; V499-M507 HydrophobicContact CG1-CE 4.2Å; V499-P524 HydrophobicContact CG2-CG 4.27Å
500D93.9Very high94.3Very high68 Ų6856.8 Ų56.836%0.36429%0.292SS..  trans-74.8167.2171.866.982.7000111.6D502 T503 W504 P571D500-D502 VanDerWaalsContact C-N 3.29Å; D500-D502 PolarHBondContact O-N 3.17Å; D500-D502 WeakPolarHBondContact OD1-CA 3.27Å; D500-D502 PolarHBondContact OD1-N 3.41Å; D500-T503 PolarHBondContact O-N 2.88Å; D500-T503 PolarHBondContact OD1-N 2.78Å; D500-T503 PolarHBondContact OD1-OG1 2.9Å; D500-T503 WeakPolarHBondContact OD2-CB 3.46Å; D500-T503 PolarHBondContact OD2-OG1 3.42Å; D500-W504 PolarHBondContact O-N 3.28Å; D500-P571 HydrophobicContact CB-CG 4.44Å
501A93.7Very high94.1Very high30 Ų3058.6 Ų58.625%0.24831%0.311CS..Hα-helixtrans-64.8-29.5-174.900000113.6K505 P524A501-K505 VanDerWaalsContact O-CG 3.27Å; A501-K505 WeakPolarHBondContact O-CG 3.38Å; A501-K505 PolarHBondContact O-N 3.2Å; A501-P524 HydrophobicContact CB-CB 4.14Å
502D94.5Very high93.9Very high102 Ų10263.3 Ų63.355%0.54534%0.336SS..Hα-helixtrans-80.5-42.5-178.9-67.7-27.2000110.5D500 W504 K505 E506D500-D502 VanDerWaalsContact C-N 3.29Å; D500-D502 PolarHBondContact O-N 3.17Å; D500-D502 WeakPolarHBondContact OD1-CA 3.27Å; D500-D502 PolarHBondContact OD1-N 3.41Å; D502-W504 VanDerWaalsContact C-N 3.26Å; D502-W504 PolarHBondContact O-N 2.86Å; D502-K505 PolarHBondContact O-N 2.7Å; D502-K505 VanDerWaalsContact O-N 3.15Å; D502-K505 IonicContact OD1-NZ 2.83Å; D502-K505 PolarHBondContact OD1-NZ 2.88Å; D502-E506 PolarHBondContact O-N 3.47Å
503T94.1Very high93.8Very high54 Ų5465.7 Ų65.733%0.33135%0.348SS..Hα-helixtrans-54.9-43.2170.4-63.80000111.5V499 D500 E506 M507V499-T503 HydrophobicContact CB-CG2 3.98Å; V499-T503 HydrophobicContact CG1-CG2 4.08Å; D500-T503 PolarHBondContact O-N 2.88Å; D500-T503 PolarHBondContact OD1-N 2.78Å; D500-T503 PolarHBondContact OD1-OG1 2.9Å; D500-T503 WeakPolarHBondContact OD2-CB 3.46Å; D500-T503 PolarHBondContact OD2-OG1 3.42Å; T503-E506 PolarHBondContact O-N 2.94Å; T503-M507 HydrophobicContact CG2-CE 3.69Å; T503-M507 HydrophobicContact CG2-SD 4.31Å; T503-M507 WeakPolarHBondContact O-CG 3.43Å; T503-M507 PolarHBondContact O-N 2.92Å
504W95Very high93.6Very high54 Ų5470.9 Ų70.921%0.20538%0.381CS..Hα-helixtrans-63.9-41.7176.8-177.6-91.1000113.5V499 D500 D502 E506 M507 A508 L513 A517 P524V499-W504 HydrophobicContact CG2-CB 4.19Å; V499-W504 HydrophobicContact CG2-CE3 3.82Å; D500-W504 PolarHBondContact O-N 3.28Å; D502-W504 VanDerWaalsContact C-N 3.26Å; D502-W504 PolarHBondContact O-N 2.86Å; W504-E506 VanDerWaalsContact C-N 3.32Å; W504-E506 PolarHBondContact O-N 3.31Å; W504-M507 PolarHBondContact O-N 3.21Å; W504-A508 PolarHBondContact O-N 3.2Å; W504-L513 HydrophobicContact CZ2-CD1 3.75Å; W504-L513 HydrophobicContact CZ2-CD2 4.39Å; W504-A517 HydrophobicContact CH2-CB 4.27Å; W504-A517 HydrophobicContact CZ3-CB 3.89Å; W504-P524 HydrophobicContact CB-CG 3.58Å; W504-P524 HydrophobicContact CD2-CG 4.01Å; W504-P524 HydrophobicContact CE3-CG 4.24Å; W504-P524 HydrophobicContact CG-CG 3.73Å
505K95.4Very high93.7Very high112 Ų11275.7 Ų75.749%0.48741%0.414SS..Hα-helixtrans-63.3-38.8175.8-71.1166.3-160.4156.20111.6A501 D502 A508 K509A501-K505 VanDerWaalsContact O-CG 3.27Å; A501-K505 WeakPolarHBondContact O-CG 3.38Å; A501-K505 PolarHBondContact O-N 3.2Å; D502-K505 PolarHBondContact O-N 2.7Å; D502-K505 VanDerWaalsContact O-N 3.15Å; D502-K505 IonicContact OD1-NZ 2.83Å; D502-K505 PolarHBondContact OD1-NZ 2.88Å; K505-A508 PolarHBondContact O-N 2.75Å; K505-K509 WeakPolarHBondContact O-CG 3.44Å; K505-K509 PolarHBondContact O-N 3.35Å
506E95.8Very high93.8Very high89 Ų8975.2 Ų75.242%0.41641%0.414SS..Hα-helixtrans-66.2-43.6175.7-68.1-52.911900111.4D502 T503 W504 A508 K509 M510D502-E506 PolarHBondContact O-N 3.47Å; T503-E506 PolarHBondContact O-N 2.94Å; W504-E506 VanDerWaalsContact C-N 3.32Å; W504-E506 PolarHBondContact O-N 3.31Å; E506-A508 VanDerWaalsContact C-N 3.29Å; E506-A508 PolarHBondContact O-N 3.29Å; E506-K509 WeakPolarHBondContact O-CB 3.36Å; E506-K509 PolarHBondContact O-N 3.34Å; E506-K509 IonicContact OE1-NZ 3.78Å; E506-K509 PolarHBondContact OE1-NZ 3.06Å; E506-M510 WeakPolarHBondContact O-CG 3.44Å; E506-M510 PolarHBondContact O-N 3.21Å; E506-M510 VanDerWaalsContact O-N 3.12Å
507M94.8Very high94Very high31 Ų3169.1 Ų69.115%0.15339%0.393CS..Hα-helixtrans-57.1-42.4173.1-71.3175.2176.400112V499 T503 W504 K509 M510 L513 V516 P518V499-M507 HydrophobicContact CG1-CE 4.2Å; T503-M507 HydrophobicContact CG2-CE 3.69Å; T503-M507 HydrophobicContact CG2-SD 4.31Å; T503-M507 WeakPolarHBondContact O-CG 3.43Å; T503-M507 PolarHBondContact O-N 2.92Å; W504-M507 PolarHBondContact O-N 3.21Å; M507-K509 PolarHBondContact O-N 3.03Å; M507-M510 PolarHBondContact O-N 2.62Å; M507-M510 VanDerWaalsContact O-N 3.1Å; M507-L513 HydrophobicContact CB-CD2 4.04Å; M507-V516 HydrophobicContact CB-CG1 3.79Å; M507-V516 HydrophobicContact CG-CG1 3.97Å; M507-P518 HydrophobicContact CE-CG 4.24Å
508A93.7Very high94.2Very high48 Ų4868.7 Ų68.740%0.39739%0.39SS..Hα-helixtrans-64.7-25.5177.600000113.4W504 K505 E506 L513W504-A508 PolarHBondContact O-N 3.2Å; K505-A508 PolarHBondContact O-N 2.75Å; E506-A508 VanDerWaalsContact C-N 3.29Å; E506-A508 PolarHBondContact O-N 3.29Å; A508-L513 HydrophobicContact CB-CD1 4.24Å; A508-L513 HydrophobicContact CB-CD2 4Å; A508-L513 HydrophobicContact CB-CG 4.25Å
509K96.3Very high94.2Very high152 Ų15274.3 Ų74.366%0.66142%0.423SS*.Hα-helixtrans-80.6-27173.5-67.4169.9-172.1169.40112.7K505 E506 M507 G511K505-K509 WeakPolarHBondContact O-CG 3.44Å; K505-K509 PolarHBondContact O-N 3.35Å; E506-K509 WeakPolarHBondContact O-CB 3.36Å; E506-K509 PolarHBondContact O-N 3.34Å; E506-K509 IonicContact OE1-NZ 3.78Å; E506-K509 PolarHBondContact OE1-NZ 3.06Å; M507-K509 PolarHBondContact O-N 3.03Å; K509-G511 VanDerWaalsContact C-N 3.33Å
510M95.1Very high94.2Very high142 Ų14276.2 Ų76.270%0.744%0.435SS*.Hα-helixtrans-74.4-22.2-178.2-69.6176.6-17300113.2E506 M507 V516E506-M510 WeakPolarHBondContact O-CG 3.44Å; E506-M510 PolarHBondContact O-N 3.21Å; E506-M510 VanDerWaalsContact O-N 3.12Å; M507-M510 PolarHBondContact O-N 2.62Å; M507-M510 VanDerWaalsContact O-N 3.1Å; M510-V516 HydrophobicContact CB-CG1 4.19Å; M510-V516 HydrophobicContact CB-CG2 4.45Å
511G94.3Very high94.2Very high38 Ų3873.8 Ų73.839%0.39242%0.423SS..SBendtrans158.8-158.8177.600000113.2K509 L513K509-G511 VanDerWaalsContact C-N 3.33Å; G511-L513 PolarHBondContact O-N 3.12Å
512D94Very high94.2Very high100 Ų10074.7 Ų74.754%0.53542%0.423SS..  trans-63.1122.4175.3-174.3-16000110.5T514 S515 V516D512-T514 PolarHBondContact O-N 3.09Å; D512-T514 VanDerWaalsContact O-N 3.16Å; D512-T514 WeakPolarHBondContact OD1-CB 3.46Å; D512-T514 WeakPolarHBondContact OD1-CG2 3.47Å; D512-T514 PolarHBondContact OD1-N 2.87Å; D512-T514 PolarHBondContact OD1-OG1 3.39Å; D512-T514 PolarHBondContact OD2-OG1 2.73Å; D512-S515 WeakPolarHBondContact O-CA 3.44Å; D512-S515 WeakPolarHBondContact O-CB 3.36Å; D512-S515 PolarHBondContact O-N 2.8Å; D512-V516 WeakPolarHBondContact O-CG2 3.48Å; D512-V516 PolarHBondContact O-N 3.19Å
513L92.6Very high94.2Very high53 Ų5375 Ų7528%0.27742%0.424SS..Hα-helixtrans-58.7-27.2179.6-73.4171000112.7W504 M507 A508 G511 S515 V516 A517W504-L513 HydrophobicContact CZ2-CD1 3.75Å; W504-L513 HydrophobicContact CZ2-CD2 4.39Å; M507-L513 HydrophobicContact CB-CD2 4.04Å; A508-L513 HydrophobicContact CB-CD1 4.24Å; A508-L513 HydrophobicContact CB-CD2 4Å; A508-L513 HydrophobicContact CB-CG 4.25Å; G511-L513 PolarHBondContact O-N 3.12Å; L513-S515 PolarHBondContact O-N 3.02Å; L513-V516 PolarHBondContact O-N 2.88Å; L513-A517 HydrophobicContact CB-CB 4.46Å; L513-A517 HydrophobicContact CD2-CB 4.2Å; L513-A517 VanDerWaalsContact O-CB 3.23Å; L513-A517 WeakPolarHBondContact O-CB 3.47Å; L513-A517 PolarHBondContact O-N 2.87Å
514T93.1Very high94.2Very high119 Ų11973.1 Ų73.173%0.7341%0.413SS*.Hα-helixtrans-64.8-21174.666.10000113D512D512-T514 PolarHBondContact O-N 3.09Å; D512-T514 VanDerWaalsContact O-N 3.16Å; D512-T514 WeakPolarHBondContact OD1-CB 3.46Å; D512-T514 WeakPolarHBondContact OD1-CG2 3.47Å; D512-T514 PolarHBondContact OD1-N 2.87Å; D512-T514 PolarHBondContact OD1-OG1 3.39Å; D512-T514 PolarHBondContact OD2-OG1 2.73Å
515S94.4Very high94.2Very high102 Ų10274.1 Ų74.171%0.71342%0.42SS*.Hα-helixtrans-104.2-29.3178.2-60.20000113D512 L513D512-S515 WeakPolarHBondContact O-CA 3.44Å; D512-S515 WeakPolarHBondContact O-CB 3.36Å; D512-S515 PolarHBondContact O-N 2.8Å; L513-S515 PolarHBondContact O-N 3.02Å
516V94.8Very high94.2Very high50 Ų5069.2 Ų69.230%0.30340%0.401SS..Hα-helixtrans-98.9-40.6-172.1179.80000112.7M507 M510 D512 L513M507-V516 HydrophobicContact CB-CG1 3.79Å; M507-V516 HydrophobicContact CG-CG1 3.97Å; M510-V516 HydrophobicContact CB-CG1 4.19Å; M510-V516 HydrophobicContact CB-CG2 4.45Å; D512-V516 WeakPolarHBondContact O-CG2 3.48Å; D512-V516 PolarHBondContact O-N 3.19Å; L513-V516 PolarHBondContact O-N 2.88Å
517A93.3Very high94.3Very high18 Ų1870 Ų7015%0.14940%0.399CS..SBendtrans-73.6136.3-175.900000110.4W504 L513W504-A517 HydrophobicContact CH2-CB 4.27Å; W504-A517 HydrophobicContact CZ3-CB 3.89Å; L513-A517 HydrophobicContact CB-CB 4.46Å; L513-A517 HydrophobicContact CD2-CB 4.2Å; L513-A517 VanDerWaalsContact O-CB 3.23Å; L513-A517 WeakPolarHBondContact O-CB 3.47Å; L513-A517 PolarHBondContact O-N 2.87Å
518P93.5Very high94.4Very high48 Ų4870.1 Ų70.131%0.31240%0.399SS..  trans-56.3136171.9-24.733.7000110.7M507 V520 S521M507-P518 HydrophobicContact CE-CG 4.24Å; P518-V520 HydrophobicContact CB-CG2 3.98Å; P518-V520 PolarHBondContact O-N 3.14Å; P518-S521 WeakPolarHBondContact O-CB 3.5Å; P518-S521 PolarHBondContact O-N 2.98Å
519P92.8Very high94.6Very high133 Ų13368 Ų6886%0.86438%0.381SS*.THydrogen-bonded Turntrans-61.5-12.2-179.8-26.835.1000115.3
520V92.8Very high94.7Very high58 Ų5865.6 Ų65.635%0.35237%0.372SS..THydrogen-bonded Turntrans-86.5-15.9175.8-63.80000112.9G494 I495 P518G494-V520 CarbonylContact C-O 3.54Å; G494-V520 WeakPolarHBondContact CA-O 3.42Å; I495-V520 HydrophobicContact CB-CB 4.45Å; I495-V520 PolarHBondContact N-O 2.8Å; P518-V520 HydrophobicContact CB-CG2 3.98Å; P518-V520 PolarHBondContact O-N 3.14Å
521S94.3Very high94.8Very high16 Ų1661.1 Ų61.111%0.11235%0.352CS..BIsolated β-bridgetrans-78.9133.6-177-61.30000111.1P518P518-S521 WeakPolarHBondContact O-CB 3.5Å; P518-S521 PolarHBondContact O-N 2.98Å
522L94.7Very high94.9Very high49 Ų4959.3 Ų59.326%0.25733%0.334SS..PPolyproline II helixtrans-104172.8168.3-62.5178000109.7N493 P524N493-L522 PolarHBondContact O-N 3.31Å; L522-P524 WeakPolarHBondContact O-CD 3.42Å
523L94Very high95Very high108 Ų10858.3 Ų58.357%0.56533%0.331SS*.PPolyproline II helixtrans-57.8119.6178.3176.866.2000110.2E525 A526L523-E525 PolarHBondContact O-N 3.35Å; L523-A526 HydrophobicContact CB-CB 4.28Å; L523-A526 HydrophobicContact CD2-CB 4.31Å; L523-A526 HydrophobicContact CG-CB 4.39Å; L523-A526 WeakPolarHBondContact O-CB 3.31Å; L523-A526 PolarHBondContact O-N 2.89Å
524P94.7Very high95.2Very high15 Ų1559.6 Ų59.610%0.09735%0.35CS..THydrogen-bonded Turntrans-62.5138178.3-25.736.1000112.8N493 V499 A501 W504 L522 A526N493-P524 HydrophobicContact CB-CB 4.45Å; N493-P524 VanDerWaalsContact CG-CA 3.49Å; V499-P524 HydrophobicContact CG2-CG 4.27Å; A501-P524 HydrophobicContact CB-CB 4.14Å; W504-P524 HydrophobicContact CB-CG 3.58Å; W504-P524 HydrophobicContact CD2-CG 4.01Å; W504-P524 HydrophobicContact CE3-CG 4.24Å; W504-P524 HydrophobicContact CG-CG 3.73Å; L522-P524 WeakPolarHBondContact O-CD 3.42Å; P524-A526 PolarHBondContact O-N 3.41Å
525E93.4Very high95.4Very high76 Ų7656.6 Ų56.636%0.35533%0.327SS..THydrogen-bonded Turntrans54.631.7-178.7-50.3-163.2167.300113.7N493 L523 R527 R543 L568N493-E525 PolarHBondContact OD1-N 2.98Å; L523-E525 PolarHBondContact O-N 3.35Å; E525-R527 PolarHBondContact O-N 3.05Å; E525-R543 IonicContact OE1-CZ 2.78Å; E525-R543 IonicContact OE1-NH1 3.04Å; E525-R543 PolarHBondContact OE1-NH1 2.69Å; E525-R543 IonicContact OE1-NH2 3.26Å; E525-R543 IonicContact OE2-CZ 3.26Å; E525-R543 IonicContact OE2-NH1 2.71Å; E525-R543 PolarHBondContact OE2-NH1 3.19Å; E525-R543 IonicContact OE2-NH2 2.65Å; E525-R543 PolarHBondContact OE2-NH2 3.48Å; E525-L568 HydrophobicContact CB-CD1 4.3Å; E525-L568 HydrophobicContact CG-CD1 3.98Å
526A96.1Very high95.3Very high9 Ų954.4 Ų54.47%0.07432%0.32CS..  trans-50.4129.7174.600000111.2L523 P524 Y528 N566L523-A526 HydrophobicContact CB-CB 4.28Å; L523-A526 HydrophobicContact CD2-CB 4.31Å; L523-A526 HydrophobicContact CG-CB 4.39Å; L523-A526 WeakPolarHBondContact O-CB 3.31Å; L523-A526 PolarHBondContact O-N 2.89Å; P524-A526 PolarHBondContact O-N 3.41Å; A526-Y528 VanDerWaalsContact C-N 3.33Å; A526-Y528 HydrophobicContact CB-CD2 4.25Å; A526-Y528 HydrophobicContact CB-CE1 4.34Å; A526-Y528 HydrophobicContact CB-CE2 3.66Å; A526-Y528 WeakPolarHBondContact O-CD2 2.96Å; A526-Y528 PolarHBondContact O-N 3.34Å; A526-N566 PolarHBondContact O-ND2 3.41Å
527R97.3Very high95.3Very high104 Ų10452.5 Ų52.539%0.39231%0.311SS..  trans-87.163.4-170.7-63.9-61.5-58.1-66.8-5.6112.7E525 D529 E530E525-R527 PolarHBondContact O-N 3.05Å; R527-D529 WeakPolarHBondContact CA-OD1 3.49Å; R527-D529 IonicContact CZ-OD2 3.7Å; R527-D529 IonicContact NE-OD1 2.7Å; R527-D529 PolarHBondContact NE-OD1 3.09Å; R527-D529 IonicContact NE-OD2 2.69Å; R527-D529 PolarHBondContact NE-OD2 3.27Å; R527-D529 VanDerWaalsContact NE-OD2 3.15Å; R527-D529 IonicContact NH2-OD2 3Å; R527-D529 PolarHBondContact NH2-OD2 3.11Å; R527-D529 PolarHBondContact O-N 3.16Å; R527-E530 HydrophobicContact CB-CB 4.25Å; R527-E530 HydrophobicContact CB-CG 3.93Å; R527-E530 IonicContact CZ-OE1 3.41Å; R527-E530 IonicContact NE-OE1 3.2Å; R527-E530 IonicContact NH1-OE1 3.37Å; R527-E530 PolarHBondContact NH1-OE1 3.42Å; R527-E530 IonicContact NH2-OE1 2.84Å; R527-E530 PolarHBondContact NH2-OE1 2.97Å; R527-E530 WeakPolarHBondContact O-CB 3.38Å; R527-E530 PolarHBondContact O-N 3.44Å
528Y97.9Very high95.5Very high34 Ų3454.8 Ų54.813%0.13332%0.315CS..Hα-helixtrans-60.4-27177.2-58.8-66000113D464 F467 V489 A526 E530 V531 N566D464-Y528 HydrophobicContact CB-CE2 3.68Å; F467-Y528 AromaticContact CD1-CD1 3.46Å; F467-Y528 HydrophobicContact CD1-CD1 3.46Å; F467-Y528 VanDerWaalsContact CD1-CD1 3.46Å; F467-Y528 AromaticContact CD1-CE1 3.89Å; F467-Y528 HydrophobicContact CD1-CE1 3.89Å; F467-Y528 HydrophobicContact CD1-CG 4.02Å; F467-Y528 AromaticContact CE1-CD1 3.51Å; F467-Y528 HydrophobicContact CE1-CD1 3.51Å; F467-Y528 HydrophobicContact CE1-CE1 4.28Å; F467-Y528 HydrophobicContact CE1-CG 4.09Å; V489-Y528 HydrophobicContact CG1-CD2 4.02Å; V489-Y528 HydrophobicContact CG1-CE2 4.42Å; A526-Y528 VanDerWaalsContact C-N 3.33Å; A526-Y528 HydrophobicContact CB-CD2 4.25Å; A526-Y528 HydrophobicContact CB-CE1 4.34Å; A526-Y528 HydrophobicContact CB-CE2 3.66Å; A526-Y528 WeakPolarHBondContact O-CD2 2.96Å; A526-Y528 PolarHBondContact O-N 3.34Å; Y528-E530 VanDerWaalsContact C-N 3.29Å; Y528-E530 PolarHBondContact O-N 3.21Å; Y528-V531 WeakPolarHBondContact O-CB 3.39Å; Y528-V531 PolarHBondContact O-N 3.28Å; Y528-N566 PolarHBondContact N-ND2 3.48Å
529D98.3Very high95.7Very high5 Ų553.6 Ų53.63%0.02731%0.312CS..Hα-helixtrans-62.3-32.4173.154.1-69.4000113.2R527 V531 M532 T533 G539 L564 N566R527-D529 WeakPolarHBondContact CA-OD1 3.49Å; R527-D529 IonicContact CZ-OD2 3.7Å; R527-D529 IonicContact NE-OD1 2.7Å; R527-D529 PolarHBondContact NE-OD1 3.09Å; R527-D529 IonicContact NE-OD2 2.69Å; R527-D529 PolarHBondContact NE-OD2 3.27Å; R527-D529 VanDerWaalsContact NE-OD2 3.15Å; R527-D529 IonicContact NH2-OD2 3Å; R527-D529 PolarHBondContact NH2-OD2 3.11Å; R527-D529 PolarHBondContact O-N 3.16Å; D529-V531 VanDerWaalsContact C-N 3.32Å; D529-V531 PolarHBondContact O-N 3.34Å; D529-M532 PolarHBondContact O-N 3Å; D529-T533 PolarHBondContact O-N 2.92Å; D529-T533 VanDerWaalsContact O-N 3.16Å; D529-T533 PolarHBondContact O-OG1 2.93Å; D529-T533 VanDerWaalsContact O-OG1 3.06Å; D529-G539 WeakPolarHBondContact O-CA 3.32Å; D529-L564 HydrophobicContact CB-CD2 4.34Å; D529-N566 HydrophobicContact CB-CB 3.96Å; D529-N566 PolarHBondContact OD1-ND2 3.15Å
530E97.9Very high95.9Very high100 Ų10049.6 Ų49.647%0.46728%0.281SS..Hα-helixtrans-71.2-29.1176.7-68.2-175.3179.200112R527 Y528 M532 T533 A534R527-E530 HydrophobicContact CB-CB 4.25Å; R527-E530 HydrophobicContact CB-CG 3.93Å; R527-E530 IonicContact CZ-OE1 3.41Å; R527-E530 IonicContact NE-OE1 3.2Å; R527-E530 IonicContact NH1-OE1 3.37Å; R527-E530 PolarHBondContact NH1-OE1 3.42Å; R527-E530 IonicContact NH2-OE1 2.84Å; R527-E530 PolarHBondContact NH2-OE1 2.97Å; R527-E530 WeakPolarHBondContact O-CB 3.38Å; R527-E530 PolarHBondContact O-N 3.44Å; Y528-E530 VanDerWaalsContact C-N 3.29Å; Y528-E530 PolarHBondContact O-N 3.21Å; E530-M532 VanDerWaalsContact C-N 3.32Å; E530-M532 PolarHBondContact O-N 2.81Å; E530-T533 PolarHBondContact O-N 3.15Å; E530-A534 VanDerWaalsContact O-CB 3.31Å; E530-A534 WeakPolarHBondContact O-CB 3.35Å; E530-A534 PolarHBondContact O-N 2.95Å
531V96.5Very high96.2Very high48 Ų4849.3 Ų49.329%0.29128%0.277SS..Hα-helixtrans-61.3-43.6173.6-178.10000110.6V474 Y528 D529 T533 A534 F535V474-V531 HydrophobicContact CB-CG1 4.36Å; V474-V531 HydrophobicContact CG1-CG1 4.4Å; Y528-V531 WeakPolarHBondContact O-CB 3.39Å; Y528-V531 PolarHBondContact O-N 3.28Å; D529-V531 VanDerWaalsContact C-N 3.32Å; D529-V531 PolarHBondContact O-N 3.34Å; V531-T533 VanDerWaalsContact C-N 3.34Å; V531-A534 PolarHBondContact O-N 3.32Å; V531-F535 HydrophobicContact CG1-CD2 4.26Å; V531-F535 HydrophobicContact CG1-CE2 4.1Å; V531-F535 VanDerWaalsContact O-CD2 3.24Å; V531-F535 WeakPolarHBondContact O-CD2 3.38Å; V531-F535 PolarHBondContact O-N 3.47Å
532M97Very high96.4Very high0 Ų048.6 Ų48.60%027%0.272CS..Hα-helixtrans-62.3-42.8175.4177.760.968.200111.8V474 M477 C478 I487 D529 E530 F535 G536 G537 R538 P562 L564V474-M532 HydrophobicContact CG1-CB 4.33Å; V474-M532 HydrophobicContact CG1-CE 3.79Å; V474-M532 HydrophobicContact CG1-SD 3.99Å; V474-M532 HydrophobicContact CG2-CE 4.32Å; M477-M532 HydrophobicContact SD-CE 4.43Å; C478-M532 PolarHBondContact SG-SD 3.23Å; I487-M532 HydrophobicContact CD1-CE 3.78Å; I487-M532 HydrophobicContact CG1-CE 4.41Å; D529-M532 PolarHBondContact O-N 3Å; E530-M532 VanDerWaalsContact C-N 3.32Å; E530-M532 PolarHBondContact O-N 2.81Å; M532-F535 PolarHBondContact O-N 3.36Å; M532-G536 PolarHBondContact O-N 2.96Å; M532-G537 WeakPolarHBondContact O-CA 3.44Å; M532-G537 PolarHBondContact O-N 3Å; M532-R538 VanDerWaalsContact CG-C 3.46Å; M532-R538 VanDerWaalsContact CG-O 3.29Å; M532-R538 WeakPolarHBondContact CG-O 3.22Å; M532-P562 HydrophobicContact CE-CB 4.25Å; M532-P562 HydrophobicContact SD-CB 4.18Å; M532-P562 HydrophobicContact SD-CG 4.48Å; M532-L564 HydrophobicContact CB-CB 3.54Å; M532-L564 HydrophobicContact CB-CD1 4.33Å; M532-L564 HydrophobicContact CE-CB 3.75Å; M532-L564 HydrophobicContact CG-CB 3.68Å
533T96.4Very high96.5Very high79 Ų7951 Ų5149%0.48528%0.278SS..Hα-helixtrans-67-40.1179.3-54.60000111.9D529 E530 V531 F535 G536 G539D529-T533 PolarHBondContact O-N 2.92Å; D529-T533 VanDerWaalsContact O-N 3.16Å; D529-T533 PolarHBondContact O-OG1 2.93Å; D529-T533 VanDerWaalsContact O-OG1 3.06Å; E530-T533 PolarHBondContact O-N 3.15Å; V531-T533 VanDerWaalsContact C-N 3.34Å; T533-F535 PolarHBondContact O-N 2.98Å; T533-G536 PolarHBondContact O-N 3.33Å; T533-G539 PolarHBondContact OG1-N 3.32Å
534A96.5Very high96.7Very high81 Ų8147.3 Ų47.367%0.66926%0.26SS*.Hα-helixtrans-59.6-30179.600000112.8E530 V531E530-A534 VanDerWaalsContact O-CB 3.31Å; E530-A534 WeakPolarHBondContact O-CB 3.35Å; E530-A534 PolarHBondContact O-N 2.95Å; V531-A534 PolarHBondContact O-N 3.32Å
535F96.1Very high96.7Very high56 Ų5647.2 Ų47.225%0.24626%0.26CS..THydrogen-bonded Turntrans-97.811.6177.4-66.1-59.3000113.9M472 V474 E475 C478 S479 V531 M532 T533M472-F535 HydrophobicContact SD-CE2 4.15Å; M472-F535 HydrophobicContact SD-CZ 3.97Å; V474-F535 HydrophobicContact CG1-CD2 4.13Å; E475-F535 HydrophobicContact CB-CD1 3.73Å; E475-F535 HydrophobicContact CB-CD2 3.88Å; E475-F535 HydrophobicContact CB-CE1 3.67Å; E475-F535 HydrophobicContact CB-CE2 3.82Å; E475-F535 HydrophobicContact CB-CG 3.85Å; E475-F535 HydrophobicContact CB-CZ 3.72Å; E475-F535 HydrophobicContact CG-CD1 3.53Å; E475-F535 HydrophobicContact CG-CE1 3.44Å; E475-F535 VanDerWaalsContact CG-CE1 3.44Å; E475-F535 HydrophobicContact CG-CG 4.15Å; E475-F535 HydrophobicContact CG-CZ 3.98Å; C478-F535 HydrophobicContact CB-CB 3.95Å; C478-F535 VanDerWaalsContact CB-O 3.29Å; C478-F535 WeakPolarHBondContact CB-O 3.44Å; S479-F535 WeakPolarHBondContact OG-CB 3.4Å; S479-F535 PolarHBondContact OG-O 3.41Å; V531-F535 HydrophobicContact CG1-CD2 4.26Å; V531-F535 HydrophobicContact CG1-CE2 4.1Å; V531-F535 VanDerWaalsContact O-CD2 3.24Å; V531-F535 WeakPolarHBondContact O-CD2 3.38Å; V531-F535 PolarHBondContact O-N 3.47Å; M532-F535 PolarHBondContact O-N 3.36Å; T533-F535 PolarHBondContact O-N 2.98Å
536G93Very high96.9Very high56 Ų5649.5 Ų49.558%0.57727%0.271SS*.THydrogen-bonded Turntrans86.15.6173.800000115.7M532 T533M532-G536 PolarHBondContact O-N 2.96Å; T533-G536 PolarHBondContact O-N 3.33Å
537G95.3Very high97Very high10 Ų1052.7 Ų52.710%0.10328%0.284CS..SBendtrans-83.3-173.9169.300000112.5M532 P562M532-G537 WeakPolarHBondContact O-CA 3.44Å; M532-G537 PolarHBondContact O-N 3Å; G537-P562 WeakPolarHBondContact CA-O 3.36Å
538R96.3Very high97Very high65 Ų6547.7 Ų47.725%0.24527%0.265CS..EExtended strand (participates in β ladder)trans-101.5111.6178.1-64.5-173.3-179.5177.49.9112.2M532 F540 D558 R561 P562 S563 L564M532-R538 VanDerWaalsContact CG-C 3.46Å; M532-R538 VanDerWaalsContact CG-O 3.29Å; M532-R538 WeakPolarHBondContact CG-O 3.22Å; R538-F540 HydrophobicContact CB-CE2 3.67Å; R538-F540 HydrophobicContact CB-CZ 4.11Å; R538-D558 IonicContact CZ-OD2 2.87Å; R538-D558 IonicContact NE-OD2 3.21Å; R538-D558 PolarHBondContact NE-OD2 3.45Å; R538-D558 IonicContact NH1-OD2 2.93Å; R538-D558 PolarHBondContact NH1-OD2 2.94Å; R538-D558 IonicContact NH2-OD2 3.84Å; R538-D558 PolarHBondContact NH2-OD2 3.1Å; R538-R561 HydrophobicContact CG-CB 4.47Å; R538-P562 PolarHBondContact N-O 3.35Å; R538-S563 CarbonylContact O-C 3.51Å; R538-S563 VanDerWaalsContact O-CA 3.23Å; R538-S563 WeakPolarHBondContact O-CA 3.4Å; R538-L564 PolarHBondContact O-N 3.38Å
539G97.8Very high97Very high23 Ų2350 Ų5024%0.23727%0.274CS..EExtended strand (participates in β ladder)trans-91.9138.4170.800000112.7D529 T533 L564D529-G539 WeakPolarHBondContact O-CA 3.32Å; T533-G539 PolarHBondContact OG1-N 3.32Å; G539-L564 CarbonylContact C-O 3.52Å; G539-L564 WeakPolarHBondContact CA-O 3.41Å
540F98.4Very high97Very high50 Ų5056.3 Ų56.322%0.21930%0.303CS..EExtended strand (participates in β ladder)trans-130.3126.3171.9-58.2-89.7000109.9R538 V542 A551 L554 C555 L564 L565 N566R538-F540 HydrophobicContact CB-CE2 3.67Å; R538-F540 HydrophobicContact CB-CZ 4.11Å; F540-V542 HydrophobicContact CB-CG2 4.19Å; F540-A551 HydrophobicContact CB-CB 4.17Å; F540-A551 HydrophobicContact CD1-CB 3.88Å; F540-A551 HydrophobicContact CD2-CB 4.38Å; F540-A551 HydrophobicContact CE1-CB 4.38Å; F540-A551 HydrophobicContact CG-CB 3.88Å; F540-L554 HydrophobicContact CE1-CD2 4.14Å; F540-L554 HydrophobicContact CZ-CD2 3.88Å; F540-C555 WeakPolarHBondContact CE2-SG 3.43Å; F540-L564 PolarHBondContact N-O 3.3Å; F540-L565 HydrophobicContact CB-CG 4.33Å; F540-L565 HydrophobicContact CD2-CD1 4.35Å; F540-L565 HydrophobicContact CD2-CG 4.31Å; F540-N566 PolarHBondContact O-N 2.7Å
541L98.4Very high97Very high52 Ų5251.9 Ų51.927%0.27228%0.283SS..EExtended strand (participates in β ladder)trans-90.5125.6164.2-175.567.5000108.6N566 L568L541-N566 HydrophobicContact CD1-CB 4.26Å; L541-L568 HydrophobicContact CD1-CD1 4.01Å; L541-L568 HydrophobicContact CD1-CD2 4.21Å; L541-L568 HydrophobicContact CD1-CG 3.97Å
542V98.3Very high97.1Very high1 Ų149.6 Ų49.61%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-124.9127.1-171.8175.40000109.9M384 F540 T544 E547 L548 A551 L565 N566 V567 L568M384-V542 HydrophobicContact CE-CG1 4.29Å; F540-V542 HydrophobicContact CB-CG2 4.19Å; V542-T544 WeakPolarHBondContact CG1-O 3.29Å; V542-E547 HydrophobicContact CG1-CB 4.02Å; V542-L548 HydrophobicContact CG1-CB 3.69Å; V542-L548 HydrophobicContact CG1-CD1 4.48Å; V542-A551 HydrophobicContact CG2-CB 4.4Å; V542-L565 HydrophobicContact CG2-CB 4.44Å; V542-N566 PolarHBondContact N-O 2.84Å; V542-V567 HydrophobicContact CB-CB 4.49Å; V542-V567 HydrophobicContact CB-CG2 4.16Å; V542-V567 HydrophobicContact CG1-CG1 4.17Å; V542-V567 HydrophobicContact CG1-CG2 4.29Å; V542-L568 PolarHBondContact O-N 2.94Å
543R97.1Very high97.1Very high100 Ų10054 Ų5438%0.37729%0.29SS..  trans-119.8-26.1179.4-63.1-177-179-92.40.6112.6L382 E525 E547 L568L382-R543 WeakPolarHBondContact CD2-O 3.47Å; E525-R543 IonicContact OE1-CZ 2.78Å; E525-R543 IonicContact OE1-NH1 3.04Å; E525-R543 PolarHBondContact OE1-NH1 2.69Å; E525-R543 IonicContact OE1-NH2 3.26Å; E525-R543 IonicContact OE2-CZ 3.26Å; E525-R543 IonicContact OE2-NH1 2.71Å; E525-R543 PolarHBondContact OE2-NH1 3.19Å; E525-R543 IonicContact OE2-NH2 2.65Å; E525-R543 PolarHBondContact OE2-NH2 3.48Å; R543-E547 WeakPolarHBondContact CA-OE2 3.44Å; R543-E547 PolarHBondContact N-OE2 3.31Å; R543-L568 HydrophobicContact CG-CD1 4.19Å
544T97.3Very high97.1Very high30 Ų3053.9 Ų53.918%0.18429%0.286CS..SBendtrans-118.2164.2-176.7680000112.9L382 M384 V542 E546 E547 L548L382-T544 HydrophobicContact CD1-CG2 4.32Å; L382-T544 HydrophobicContact CD2-CG2 4.3Å; M384-T544 WeakPolarHBondContact CE-O 3.45Å; V542-T544 WeakPolarHBondContact CG1-O 3.29Å; T544-E546 VanDerWaalsContact C-N 3.31Å; T544-E547 PolarHBondContact N-OE2 3.49Å; T544-E547 VanDerWaalsContact N-OE2 3.11Å; T544-E547 WeakPolarHBondContact OG1-CB 3.38Å; T544-E547 VanDerWaalsContact OG1-CD 3.26Å; T544-E547 WeakPolarHBondContact OG1-CG 3.38Å; T544-E547 PolarHBondContact OG1-N 3.42Å; T544-L548 WeakPolarHBondContact O-CB 3.37Å; T544-L548 PolarHBondContact O-N 3.34Å; T544-L548 VanDerWaalsContact O-N 3.1Å
545A95.8Very high97.1Very high12 Ų1250 Ų5010%0.09926%0.255CS..Hα-helixtrans-68.8-34.4177.500000111.7M384 H392 L548 R549M384-A545 HydrophobicContact SD-CB 4.08Å; M384-A545 PolarHBondContact SD-N 3.48Å; H392-A545 WeakPolarHBondContact NE2-CB 3.28Å; A545-L548 PolarHBondContact O-N 3.09Å; A545-R549 VanDerWaalsContact O-CG 3.25Å; A545-R549 WeakPolarHBondContact O-CG 3.36Å; A545-R549 PolarHBondContact O-N 3.42Å
546E96.6Very high97.1Very high124 Ų12448.6 Ų48.658%0.57925%0.249SC*.Hα-helixtrans-64-51.8176.5-66.369-153.300110.2T544 L548 R549 E550T544-E546 VanDerWaalsContact C-N 3.31Å; E546-L548 VanDerWaalsContact C-N 3.29Å; E546-L548 PolarHBondContact O-N 3.44Å; E546-R549 PolarHBondContact O-N 3.06Å; E546-R549 VanDerWaalsContact O-N 3.11Å; E546-E550 WeakPolarHBondContact O-CG 3.31Å; E546-E550 PolarHBondContact O-N 2.88Å
547E97.9Very high97.2Very high76 Ų7651 Ų5136%0.35525%0.253SS..Hα-helixtrans-56.6-42.2174.9-74.8164.9-169.700111.8V542 R543 T544 R549 A551V542-E547 HydrophobicContact CG1-CB 4.02Å; R543-E547 WeakPolarHBondContact CA-OE2 3.44Å; R543-E547 PolarHBondContact N-OE2 3.31Å; T544-E547 PolarHBondContact N-OE2 3.49Å; T544-E547 VanDerWaalsContact N-OE2 3.11Å; T544-E547 WeakPolarHBondContact OG1-CB 3.38Å; T544-E547 VanDerWaalsContact OG1-CD 3.26Å; T544-E547 WeakPolarHBondContact OG1-CG 3.38Å; T544-E547 PolarHBondContact OG1-N 3.42Å; E547-R549 PolarHBondContact O-N 3.4Å; E547-A551 WeakPolarHBondContact O-CB 3.4Å; E547-A551 PolarHBondContact O-N 2.84Å
548L98.1Very high97Very high0 Ų051.2 Ų51.20%025%0.252CS..Hα-helixtrans-59.8-46.2176.9177.355.8000111.7V389 H392 I393 V542 T544 A545 E546 L552 L565 V567V389-L548 HydrophobicContact CB-CD2 4.4Å; V389-L548 HydrophobicContact CG1-CD2 4.04Å; H392-L548 HydrophobicContact CB-CD2 3.95Å; H392-L548 HydrophobicContact CB-CG 4.5Å; I393-L548 HydrophobicContact CG1-CD1 4.35Å; I393-L548 HydrophobicContact CG1-CD2 4.32Å; V542-L548 HydrophobicContact CG1-CB 3.69Å; V542-L548 HydrophobicContact CG1-CD1 4.48Å; T544-L548 WeakPolarHBondContact O-CB 3.37Å; T544-L548 PolarHBondContact O-N 3.34Å; T544-L548 VanDerWaalsContact O-N 3.1Å; A545-L548 PolarHBondContact O-N 3.09Å; E546-L548 VanDerWaalsContact C-N 3.29Å; E546-L548 PolarHBondContact O-N 3.44Å; L548-L552 WeakPolarHBondContact O-CB 3.46Å; L548-L552 PolarHBondContact O-N 2.86Å; L548-L565 HydrophobicContact CD1-CD2 3.91Å; L548-V567 HydrophobicContact CD1-CG2 3.89Å
549R97.8Very high96.8Very high83 Ų8353.2 Ų53.231%0.31326%0.259SS..Hα-helixtrans-66.3-46.8-178.3-71.4171.272.598.910.1111.2H392 L396 A545 E546 E547 L552 Q553H392-R549 HydrophobicContact CB-CG 4.21Å; H392-R549 PolarHBondContact ND1-NH1 2.92Å; L396-R549 HydrophobicContact CD1-CB 4.13Å; L396-R549 HydrophobicContact CD1-CG 4.16Å; A545-R549 VanDerWaalsContact O-CG 3.25Å; A545-R549 WeakPolarHBondContact O-CG 3.36Å; A545-R549 PolarHBondContact O-N 3.42Å; E546-R549 PolarHBondContact O-N 3.06Å; E546-R549 VanDerWaalsContact O-N 3.11Å; E547-R549 PolarHBondContact O-N 3.4Å; R549-L552 PolarHBondContact O-N 3.19Å; R549-Q553 WeakPolarHBondContact O-CB 3.27Å; R549-Q553 WeakPolarHBondContact O-CG 3.02Å; R549-Q553 PolarHBondContact O-N 3.05Å
550E98.1Very high96.4Very high136 Ų13658.6 Ų58.664%0.63628%0.278SS*.Hα-helixtrans-63.3-49.1-179.8-70.4178.4-17700111.3E546 L552 Q553 L554E546-E550 WeakPolarHBondContact O-CG 3.31Å; E546-E550 PolarHBondContact O-N 2.88Å; E550-L552 PolarHBondContact O-N 3.29Å; E550-Q553 PolarHBondContact O-N 2.82Å; E550-L554 WeakPolarHBondContact O-CB 3.28Å; E550-L554 PolarHBondContact O-N 2.94Å
551A98.1Very high96Very high7 Ų761.9 Ų61.96%0.05829%0.289CS..Hα-helixtrans-60.9-46.3177.900000111.3F540 V542 E547 L554 C555 L565F540-A551 HydrophobicContact CB-CB 4.17Å; F540-A551 HydrophobicContact CD1-CB 3.88Å; F540-A551 HydrophobicContact CD2-CB 4.38Å; F540-A551 HydrophobicContact CE1-CB 4.38Å; F540-A551 HydrophobicContact CG-CB 3.88Å; V542-A551 HydrophobicContact CG2-CB 4.4Å; E547-A551 WeakPolarHBondContact O-CB 3.4Å; E547-A551 PolarHBondContact O-N 2.84Å; A551-L554 PolarHBondContact O-N 2.8Å; A551-C555 WeakPolarHBondContact O-CB 3.38Å; A551-C555 PolarHBondContact O-N 3.26Å; A551-C555 PolarHBondContact O-SG 3.22Å; A551-L565 HydrophobicContact CB-CD2 3.71Å; A551-L565 HydrophobicContact CB-CG 4.12Å
552L98.1Very high95.9Very high0 Ų059.4 Ų59.40%028%0.276CS..Hα-helixtrans-67.6-39.8-178.5-178.356.8000112.1I393 L396 I486 I488 L548 R549 E550 L554 C555 L556 L565I393-L552 HydrophobicContact CB-CD2 4.35Å; I393-L552 HydrophobicContact CG1-CD2 4.18Å; I393-L552 HydrophobicContact CG2-CD2 4.36Å; L396-L552 HydrophobicContact CB-CD2 3.94Å; L396-L552 HydrophobicContact CB-CG 4.38Å; L396-L552 HydrophobicContact CD1-CB 4.18Å; L396-L552 HydrophobicContact CD1-CD2 4Å; L396-L552 HydrophobicContact CD1-CG 4.24Å; I486-L552 HydrophobicContact CD1-CD1 4.49Å; I486-L552 HydrophobicContact CG2-CD1 4.05Å; I488-L552 HydrophobicContact CD1-CD1 4.16Å; L548-L552 WeakPolarHBondContact O-CB 3.46Å; L548-L552 PolarHBondContact O-N 2.86Å; R549-L552 PolarHBondContact O-N 3.19Å; E550-L552 PolarHBondContact O-N 3.29Å; L552-L554 VanDerWaalsContact C-N 3.34Å; L552-L554 PolarHBondContact O-N 3.3Å; L552-C555 PolarHBondContact O-N 2.78Å; L552-L556 HydrophobicContact CD1-CD1 4.24Å; L552-L556 HydrophobicContact CD1-CG 4.1Å; L552-L556 HydrophobicContact CG-CD1 3.98Å; L552-L556 HydrophobicContact CG-CG 4.33Å; L552-L556 WeakPolarHBondContact O-CB 3.07Å; L552-L556 VanDerWaalsContact O-CG 3.23Å; L552-L556 WeakPolarHBondContact O-CG 3.23Å; L552-L556 PolarHBondContact O-N 3.32Å; L552-L565 HydrophobicContact CB-CD2 4.04Å
553Q97.4Very high95.9Very high93 Ų9359.4 Ų59.444%0.43528%0.276SS..Hα-helixtrans-60.7-44.4175.3-77.7175.1-7.600111.7L396 R549 E550 L556 T557L396-Q553 HydrophobicContact CD1-CG 4Å; L396-Q553 HydrophobicContact CD2-CG 3.89Å; R549-Q553 WeakPolarHBondContact O-CB 3.27Å; R549-Q553 WeakPolarHBondContact O-CG 3.02Å; R549-Q553 PolarHBondContact O-N 3.05Å; E550-Q553 PolarHBondContact O-N 2.82Å; Q553-L556 PolarHBondContact O-N 3.28Å; Q553-T557 PolarHBondContact O-N 3.06Å; Q553-T557 PolarHBondContact O-OG1 3.24Å
554L96.9Very high95.9Very high77 Ų7754.6 Ų54.640%0.40326%0.258SS..Hα-helixtrans-62.1-44.1174.9179.462.6000111.6F540 E550 A551 L552 L556 T557 D558F540-L554 HydrophobicContact CE1-CD2 4.14Å; F540-L554 HydrophobicContact CZ-CD2 3.88Å; E550-L554 WeakPolarHBondContact O-CB 3.28Å; E550-L554 PolarHBondContact O-N 2.94Å; A551-L554 PolarHBondContact O-N 2.8Å; L552-L554 VanDerWaalsContact C-N 3.34Å; L552-L554 PolarHBondContact O-N 3.3Å; L554-L556 VanDerWaalsContact C-N 3.29Å; L554-L556 PolarHBondContact O-N 3.47Å; L554-T557 PolarHBondContact O-N 3.21Å; L554-T557 PolarHBondContact O-OG1 3.47Å; L554-D558 PolarHBondContact O-N 3.29Å; L554-D558 VanDerWaalsContact O-N 3.09Å
555C96.5Very high96Very high0 Ų053.2 Ų53.20%025%0.249CC..Hα-helixtrans-64.4-34.9178.1-66.50000112R457 I486 F540 A551 L552 D558 S563 L565R457-C555 PolarHBondContact NH2-O 3.41Å; I486-C555 HydrophobicContact CD1-CB 3.87Å; I486-C555 WeakPolarHBondContact CD1-O 3.47Å; I486-C555 HydrophobicContact CG1-CB 4.05Å; I486-C555 HydrophobicContact CG2-CB 4.02Å; F540-C555 WeakPolarHBondContact CE2-SG 3.43Å; A551-C555 WeakPolarHBondContact O-CB 3.38Å; A551-C555 PolarHBondContact O-N 3.26Å; A551-C555 PolarHBondContact O-SG 3.22Å; L552-C555 PolarHBondContact O-N 2.78Å; C555-D558 PolarHBondContact O-N 3.29Å; C555-S563 WeakPolarHBondContact SG-CB 3.29Å; C555-L565 HydrophobicContact CB-CD1 4.42Å; C555-L565 VanDerWaalsContact SG-CD1 3.59Å
556L95.9Very high96.2Very high26 Ų2652.6 Ų52.614%0.13625%0.245CC..Hα-helixtrans-71.3-28.7179.5-77.4169.4000113.2L396 P398 R457 I486 L552 Q553 L554L396-L556 HydrophobicContact CB-CD1 4.08Å; L396-L556 VanDerWaalsContact O-CD1 3.27Å; L396-L556 WeakPolarHBondContact O-CD1 3.37Å; P398-L556 HydrophobicContact CG-CD2 3.94Å; R457-L556 HydrophobicContact CG-CD2 4.33Å; R457-L556 PolarHBondContact NE-O 3.07Å; R457-L556 PolarHBondContact NH2-O 3.23Å; I486-L556 HydrophobicContact CD1-CD2 3.69Å; I486-L556 HydrophobicContact CD1-CG 4.02Å; L552-L556 HydrophobicContact CD1-CD1 4.24Å; L552-L556 HydrophobicContact CD1-CG 4.1Å; L552-L556 HydrophobicContact CG-CD1 3.98Å; L552-L556 HydrophobicContact CG-CG 4.33Å; L552-L556 WeakPolarHBondContact O-CB 3.07Å; L552-L556 VanDerWaalsContact O-CG 3.23Å; L552-L556 WeakPolarHBondContact O-CG 3.23Å; L552-L556 PolarHBondContact O-N 3.32Å; Q553-L556 PolarHBondContact O-N 3.28Å; L554-L556 VanDerWaalsContact C-N 3.29Å; L554-L556 PolarHBondContact O-N 3.47Å
557T94.3Very high96.2Very high107 Ų10746.7 Ų46.766%0.65622%0.217SC*.Hα-helixtrans-85.4-26.1175.156.70000112.9Q553 L554 W559Q553-T557 PolarHBondContact O-N 3.06Å; Q553-T557 PolarHBondContact O-OG1 3.24Å; L554-T557 PolarHBondContact O-N 3.21Å; L554-T557 PolarHBondContact O-OG1 3.47Å; T557-W559 PolarHBondContact O-N 3.34Å
558D92.9Very high96.2Very high14 Ų1443.8 Ų43.88%0.07520%0.204CC..  trans-84.7101.1178.3-172.4-1.7000112.9R457 R538 L554 C555 E560 R561R457-D558 PolarHBondContact NH1-O 3.47Å; R457-D558 VanDerWaalsContact NH1-O 3.14Å; R457-D558 PolarHBondContact NH2-O 3Å; R538-D558 IonicContact CZ-OD2 2.87Å; R538-D558 IonicContact NE-OD2 3.21Å; R538-D558 PolarHBondContact NE-OD2 3.45Å; R538-D558 IonicContact NH1-OD2 2.93Å; R538-D558 PolarHBondContact NH1-OD2 2.94Å; R538-D558 IonicContact NH2-OD2 3.84Å; R538-D558 PolarHBondContact NH2-OD2 3.1Å; L554-D558 PolarHBondContact O-N 3.29Å; L554-D558 VanDerWaalsContact O-N 3.09Å; C555-D558 PolarHBondContact O-N 3.29Å; D558-E560 WeakPolarHBondContact OD1-CA 3.38Å; D558-E560 WeakPolarHBondContact OD1-CB 3.46Å; D558-E560 PolarHBondContact OD1-N 3.12Å; D558-R561 PolarHBondContact OD1-N 3.24Å; D558-R561 VanDerWaalsContact OD1-N 3.16Å
559W91.9Very high96.1Very high107 Ų10744 Ų4441%0.40521%0.205SC..  trans-92.3-1174-73.981.8000113.5P455 R457 P484 T557P455-W559 HydrophobicContact CB-CH2 4.43Å; P455-W559 HydrophobicContact CB-CZ3 4.09Å; P455-W559 HydrophobicContact CG-CH2 4.45Å; P455-W559 HydrophobicContact CG-CZ3 4.21Å; R457-W559 VanDerWaalsContact CD-CZ2 3.5Å; R457-W559 HydrophobicContact CG-CH2 3.78Å; R457-W559 HydrophobicContact CG-CZ2 3.54Å; P484-W559 HydrophobicContact CB-CE3 4.25Å; P484-W559 WeakPolarHBondContact CB-O 3.46Å; P484-W559 HydrophobicContact CG-CE3 3.98Å; P484-W559 HydrophobicContact CG-CZ3 4.47Å; T557-W559 PolarHBondContact O-N 3.34Å
560E89.1Confident96Very high136 Ų13642.6 Ų42.664%0.63620%0.204SC*.SBendtrans-92-24.5-178.4-63.2-176.2174.400112.1N482 D558N482-E560 PolarHBondContact ND2-O 3.34Å; N482-E560 PolarHBondContact OD1-O 2.97Å; D558-E560 WeakPolarHBondContact OD1-CA 3.38Å; D558-E560 WeakPolarHBondContact OD1-CB 3.46Å; D558-E560 PolarHBondContact OD1-N 3.12Å
561R90.5Very high95.8Very high118 Ų11836.8 Ų36.845%0.44518%0.178SC..SBendtrans-130.3132.5-176-55.4-174.9-166.3-178.82.5112.3R538 D558R538-R561 HydrophobicContact CG-CB 4.47Å; D558-R561 PolarHBondContact OD1-N 3.24Å; D558-R561 VanDerWaalsContact OD1-N 3.16Å
562P95.6Very high95.3Very high1 Ų140.7 Ų40.71%0.00620%0.204CC..  trans-59.8150.9162.520.1-26.9000111M477 C478 L483 V485 M532 G537 R538M477-P562 HydrophobicContact CG-CB 3.86Å; M477-P562 HydrophobicContact CG-CG 4.22Å; M477-P562 HydrophobicContact SD-CB 3.79Å; C478-P562 HydrophobicContact CB-CG 3.93Å; C478-P562 WeakPolarHBondContact SG-CG 3.3Å; L483-P562 VanDerWaalsContact O-CB 3.31Å; L483-P562 WeakPolarHBondContact O-CB 3.48Å; V485-P562 WeakPolarHBondContact O-CA 3.05Å; M532-P562 HydrophobicContact CE-CB 4.25Å; M532-P562 HydrophobicContact SD-CB 4.18Å; M532-P562 HydrophobicContact SD-CG 4.48Å; G537-P562 WeakPolarHBondContact CA-O 3.36Å; R538-P562 PolarHBondContact N-O 3.35Å
563S97.6Very high94.9Very high0 Ų041.2 Ų41.20%021%0.208CC..EExtended strand (participates in β ladder)trans-138.3149.3-175.6-57.50000111.1V485 I487 R538 C555V485-S563 PolarHBondContact O-N 3.48Å; V485-S563 VanDerWaalsContact O-N 3.08Å; I487-S563 PolarHBondContact N-O 3.21Å; R538-S563 CarbonylContact O-C 3.51Å; R538-S563 VanDerWaalsContact O-CA 3.23Å; R538-S563 WeakPolarHBondContact O-CA 3.4Å; C555-S563 WeakPolarHBondContact SG-CB 3.29Å
564L98.5Very high94.2Very high0 Ų041.5 Ų41.50%021%0.213CC..EExtended strand (participates in β ladder)trans-129.8122.1174.9-168154.4000109.8F467 I487 V489 D529 M532 R538 G539 F540 N566F467-L564 HydrophobicContact CD2-CD1 4.46Å; F467-L564 HydrophobicContact CE2-CD1 3.56Å; F467-L564 HydrophobicContact CZ-CD1 3.65Å; I487-L564 HydrophobicContact CB-CB 4.26Å; I487-L564 HydrophobicContact CB-CD1 4.26Å; I487-L564 HydrophobicContact CB-CG 3.99Å; I487-L564 HydrophobicContact CD1-CD1 4.34Å; I487-L564 HydrophobicContact CG2-CD1 4.03Å; I487-L564 HydrophobicContact CG2-CG 4.01Å; I487-L564 CarbonylContact O-C 3.47Å; I487-L564 VanDerWaalsContact O-CA 3.28Å; I487-L564 WeakPolarHBondContact O-CA 3.47Å; V489-L564 HydrophobicContact CG2-CD1 4.24Å; V489-L564 HydrophobicContact CG2-CD2 4.04Å; V489-L564 HydrophobicContact CG2-CG 4.25Å; D529-L564 HydrophobicContact CB-CD2 4.34Å; M532-L564 HydrophobicContact CB-CB 3.54Å; M532-L564 HydrophobicContact CB-CD1 4.33Å; M532-L564 HydrophobicContact CE-CB 3.75Å; M532-L564 HydrophobicContact CG-CB 3.68Å; R538-L564 PolarHBondContact O-N 3.38Å; G539-L564 CarbonylContact C-O 3.52Å; G539-L564 WeakPolarHBondContact CA-O 3.41Å; F540-L564 PolarHBondContact N-O 3.3Å; L564-N566 HydrophobicContact CD2-CB 3.96Å
565L98.8Very high93.3Very high0 Ų041.2 Ų41.20%021%0.206CC..EExtended strand (participates in β ladder)trans-101.8112.3169.9-6674.5000108.5I486 I487 I488 V489 F540 V542 L548 A551 L552 C555 V567I486-L565 HydrophobicContact CG2-CD1 3.9Å; I487-L565 PolarHBondContact O-N 3.21Å; I488-L565 CarbonylContact C-O 3.53Å; I488-L565 WeakPolarHBondContact CA-O 3.41Å; V489-L565 PolarHBondContact N-O 3.05Å; F540-L565 HydrophobicContact CB-CG 4.33Å; F540-L565 HydrophobicContact CD2-CD1 4.35Å; F540-L565 HydrophobicContact CD2-CG 4.31Å; V542-L565 HydrophobicContact CG2-CB 4.44Å; L548-L565 HydrophobicContact CD1-CD2 3.91Å; A551-L565 HydrophobicContact CB-CD2 3.71Å; A551-L565 HydrophobicContact CB-CG 4.12Å; L552-L565 HydrophobicContact CB-CD2 4.04Å; C555-L565 HydrophobicContact CB-CD1 4.42Å; C555-L565 VanDerWaalsContact SG-CD1 3.59Å; L565-V567 HydrophobicContact CB-CG2 4.23Å
566N98.6Very high92.4Very high0 Ų042.6 Ų42.60%021%0.212CC..EExtended strand (participates in β ladder)trans-91.696.9173.4-17716.3000108.5N491 A526 Y528 D529 F540 L541 V542 L564N491-N566 WeakPolarHBondContact CB-OD1 3.48Å; N491-N566 PolarHBondContact ND2-OD1 2.91Å; N491-N566 VanDerWaalsContact ND2-OD1 3.11Å; A526-N566 PolarHBondContact O-ND2 3.41Å; Y528-N566 PolarHBondContact N-ND2 3.48Å; D529-N566 HydrophobicContact CB-CB 3.96Å; D529-N566 PolarHBondContact OD1-ND2 3.15Å; F540-N566 PolarHBondContact O-N 2.7Å; L541-N566 HydrophobicContact CD1-CB 4.26Å; V542-N566 PolarHBondContact N-O 2.84Å; L564-N566 HydrophobicContact CD2-CB 3.96Å
567V98.4Very high91Very high0 Ų050 Ų500%025%0.246CC..EExtended strand (participates in β ladder)trans-95.2104.9-172.9-171.80000109.3M384 V389 I488 V489 N491 V542 L548 L565 I569M384-V567 HydrophobicContact CE-CG1 3.61Å; V389-V567 HydrophobicContact CG1-CG1 4.07Å; V389-V567 HydrophobicContact CG2-CG1 3.68Å; I488-V567 HydrophobicContact CG2-CG2 3.86Å; V489-V567 PolarHBondContact O-N 3.01Å; N491-V567 PolarHBondContact N-O 2.62Å; V542-V567 HydrophobicContact CB-CB 4.49Å; V542-V567 HydrophobicContact CB-CG2 4.16Å; V542-V567 HydrophobicContact CG1-CG1 4.17Å; V542-V567 HydrophobicContact CG1-CG2 4.29Å; L548-V567 HydrophobicContact CD1-CG2 3.89Å; L565-V567 HydrophobicContact CB-CG2 4.23Å; V567-I569 HydrophobicContact CG1-CG2 4.34Å; V567-I569 PolarHBondContact O-N 2.66Å
568L97.6Very high89.5Confident14 Ų1445.9 Ų45.97%0.07322%0.22CC..EExtended strand (participates in β ladder)trans-73.2125.4176.6-57.3-174.5000109.9N491 E525 L541 V542 R543N491-L568 HydrophobicContact CB-CD2 4.05Å; N491-L568 WeakPolarHBondContact ND2-CD2 3.44Å; E525-L568 HydrophobicContact CB-CD1 4.3Å; E525-L568 HydrophobicContact CG-CD1 3.98Å; L541-L568 HydrophobicContact CD1-CD1 4.01Å; L541-L568 HydrophobicContact CD1-CD2 4.21Å; L541-L568 HydrophobicContact CD1-CG 3.97Å; V542-L568 PolarHBondContact O-N 2.94Å; R543-L568 HydrophobicContact CG-CD1 4.19Å
569I96.3Very high87.9Confident5 Ų549 Ų493%0.02623%0.234CC..BIsolated β-bridgetrans-122168.2176.660.7158.1000110.7M384 Y386 V389 V490 N491 N492 V567 P571M384-I569 HydrophobicContact CB-CG2 4.37Å; M384-I569 CarbonylContact O-C 3.53Å; M384-I569 VanDerWaalsContact O-CA 3.27Å; M384-I569 WeakPolarHBondContact O-CA 3.38Å; M384-I569 WeakPolarHBondContact O-CB 3.47Å; Y386-I569 HydrophobicContact CD1-CD1 3.84Å; Y386-I569 HydrophobicContact CD2-CD1 3.76Å; Y386-I569 HydrophobicContact CE1-CD1 3.54Å; Y386-I569 HydrophobicContact CE2-CD1 3.44Å; Y386-I569 VanDerWaalsContact CE2-CD1 3.44Å; Y386-I569 HydrophobicContact CG-CD1 3.94Å; V389-I569 HydrophobicContact CG2-CG2 3.57Å; V490-I569 HydrophobicContact CG1-CD1 3.56Å; V490-I569 HydrophobicContact CG1-CG1 4.04Å; V490-I569 HydrophobicContact CG1-CG2 4Å; N491-I569 VanDerWaalsContact O-CG1 3.28Å; N491-I569 WeakPolarHBondContact O-CG1 3.46Å; N491-I569 PolarHBondContact O-N 2.57Å; N492-I569 HydrophobicContact CB-CD1 3.82Å; N492-I569 HydrophobicContact CB-CG1 3.77Å; V567-I569 HydrophobicContact CG1-CG2 4.34Å; V567-I569 PolarHBondContact O-N 2.66Å; I569-P571 WeakPolarHBondContact O-CD 3.5Å
570D94.8Very high86.3Confident54 Ų5447.5 Ų47.529%0.28923%0.23SC..  trans-57.1121.5175177.8-11.3000109.3P383 M384 S572 S573P383-D570 HydrophobicContact CB-CB 4.19Å; M384-D570 PolarHBondContact O-N 3.1Å; D570-S572 VanDerWaalsContact CG-OG 3.26Å; D570-S572 PolarHBondContact O-N 3.37Å; D570-S572 VanDerWaalsContact O-N 3.1Å; D570-S572 WeakPolarHBondContact OD1-CB 3.49Å; D570-S572 PolarHBondContact OD1-N 2.84Å; D570-S572 PolarHBondContact OD1-OG 2.8Å; D570-S572 PolarHBondContact OD2-OG 2.8Å; D570-S573 WeakPolarHBondContact O-CB 3.09Å; D570-S573 PolarHBondContact O-N 3.39Å
571P93.3Very high84.5Confident14 Ų1445.4 Ų45.49%0.09123%0.228CC..THydrogen-bonded Turntrans-58.9-23.1-179.9-25.335.1000114.1N492 G498 D500 I569N492-P571 WeakPolarHBondContact O-CA 3.11Å; N492-P571 WeakPolarHBondContact O-CB 3.35Å; G498-P571 PolarHBondContact N-O 3.03Å; G498-P571 VanDerWaalsContact N-O 3.08Å; G498-P571 WeakPolarHBondContact O-CB 3.34Å; D500-P571 HydrophobicContact CB-CG 4.44Å; I569-P571 WeakPolarHBondContact O-CD 3.5Å
572S88.9Confident82.8Confident88 Ų8845.7 Ų45.762%0.61523%0.229SC*.THydrogen-bonded Turntrans-93.50.3176.475.40000113.7D570 D574D570-S572 VanDerWaalsContact CG-OG 3.26Å; D570-S572 PolarHBondContact O-N 3.37Å; D570-S572 VanDerWaalsContact O-N 3.1Å; D570-S572 WeakPolarHBondContact OD1-CB 3.49Å; D570-S572 PolarHBondContact OD1-N 2.84Å; D570-S572 PolarHBondContact OD1-OG 2.8Å; D570-S572 PolarHBondContact OD2-OG 2.8Å; S572-D574 PolarHBondContact O-N 3.41Å
573S88.1Confident80.7Confident11 Ų1146.2 Ų46.28%0.07723%0.232CC..  trans-60.6131177.8-158.60000110.1N385 Y386 D570N385-S573 WeakPolarHBondContact CA-OG 3.5Å; N385-S573 VanDerWaalsContact CB-OG 3.28Å; N385-S573 WeakPolarHBondContact CB-OG 3.37Å; Y386-S573 WeakPolarHBondContact CD2-OG 3.22Å; Y386-S573 VanDerWaalsContact CE2-O 3.32Å; Y386-S573 WeakPolarHBondContact CE2-O 3.48Å; Y386-S573 PolarHBondContact N-OG 3.14Å; D570-S573 WeakPolarHBondContact O-CB 3.09Å; D570-S573 PolarHBondContact O-N 3.39Å
574D83.9Confident78.4Confident99 Ų9950.9 Ų50.953%0.52926%0.261SS..  trans-142.2172.2-178.1-161.49.8000111.3N409 S572N409-D574 PolarHBondContact ND2-OD1 2.9Å; N409-D574 PolarHBondContact OD1-OD1 2.84Å; S572-D574 PolarHBondContact O-N 3.41Å
575R78.7Confident75.9Confident71 Ų7159.3 Ų59.327%0.26829%0.293SS..PPolyproline II helixtrans-59.8144.3174.6-165178.3-170.816210.7110.3D412 I413 Q577D412-R575 IonicContact OD2-CZ 2.79Å; D412-R575 IonicContact OD2-NH1 3.16Å; D412-R575 PolarHBondContact OD2-NH1 2.88Å; D412-R575 IonicContact OD2-NH2 3.8Å; I413-R575 HydrophobicContact CD1-CB 4.35Å; I413-R575 HydrophobicContact CG1-CB 4.34Å; I413-R575 HydrophobicContact CG1-CG 4.23Å; R575-Q577 PolarHBondContact O-N 2.89Å
576K76.8Confident73.1Confident30 Ų3063.3 Ų63.313%0.1332%0.321CS..PPolyproline II helixtrans-55.3141.6172.367.2-171.8176.2-178.10110.6S273 I372 S373 L376 Y387 Q578S273-K576 WeakPolarHBondContact OG-CE 3.31Å; S273-K576 PolarHBondContact OG-NZ 3.13Å; I372-K576 HydrophobicContact CG2-CD 4.01Å; S373-K576 PolarHBondContact OG-NZ 3.02Å; S373-K576 VanDerWaalsContact OG-NZ 3.12Å; L376-K576 HydrophobicContact CD1-CB 3.81Å; L376-K576 HydrophobicContact CD1-CD 4.28Å; Y387-K576 HydrophobicContact CE1-CD 4.37Å; Y387-K576 WeakPolarHBondContact OH-CG 3.48Å; Y387-K576 PolarHBondContact OH-N 3.28Å; K576-Q578 PolarHBondContact O-N 2.99Å; K576-Q578 PolarHBondContact O-NE2 3.16Å
577Q66.4Low70Confident181 Ų18170 Ų7085%0.84636%0.356SS*.PPolyproline II helixtrans-53.6126.7-178.7-165.9178.911.200111.1R575R575-Q577 PolarHBondContact O-N 2.89Å
578Q63.6Low66.8Low21 Ų2180.7 Ų80.710%0.09841%0.412CS..PPolyproline II helixtrans-80.7147.1176.3-56.6-58.8-64.400109.8S273 K576 F580 L583 T584S273-Q578 PolarHBondContact O-OE1 3.31Å; K576-Q578 PolarHBondContact O-N 2.99Å; K576-Q578 PolarHBondContact O-NE2 3.16Å; Q578-F580 PolarHBondContact O-N 2.99Å; Q578-L583 HydrophobicContact CB-CB 4.46Å; Q578-L583 HydrophobicContact CB-CD1 4.22Å; Q578-T584 HydrophobicContact CG-CG2 3.8Å
579E58.4Low65.3Low80 Ų8084.1 Ų84.137%0.37443%0.429SS..SBendtrans-63.7-27.5-178-168.1171.8169.100112.6R274R274-E579 WeakPolarHBondContact CD-OE2 3.29Å; R274-E579 HydrophobicContact CG-CB 4.46Å; R274-E579 IonicContact NE-OE2 3.93Å; R274-E579 PolarHBondContact NE-OE2 2.99Å
580F58.5Low63.6Low74 Ų7488.2 Ų88.233%0.32545%0.451SS..SBendtrans-126.6124.4176.7-51.7-81000111.5Q578 W582 L583Q578-F580 PolarHBondContact O-N 2.99Å; F580-W582 HydrophobicContact CB-CD2 3.95Å; F580-W582 VanDerWaalsContact CB-CE2 3.47Å; F580-W582 HydrophobicContact CB-CE3 4.37Å; F580-W582 HydrophobicContact CB-CH2 4.01Å; F580-W582 HydrophobicContact CB-CZ2 3.52Å; F580-W582 HydrophobicContact CB-CZ3 4.4Å; F580-W582 AromaticContact CD1-CH2 3.39Å; F580-W582 HydrophobicContact CD1-CH2 3.39Å; F580-W582 AromaticContact CD1-CZ2 3.3Å; F580-W582 HydrophobicContact CD1-CZ2 3.3Å; F580-W582 HydrophobicContact CD1-CZ3 4.31Å; F580-W582 HydrophobicContact CE1-CH2 4.18Å; F580-W582 HydrophobicContact CE1-CZ2 4.09Å; F580-W582 AromaticContact CG-CE2 3.98Å; F580-W582 HydrophobicContact CG-CH2 4.04Å; F580-W582 AromaticContact CG-CZ2 3.54Å; F580-W582 HydrophobicContact CG-CZ2 3.54Å; F580-W582 PolarHBondContact O-N 3.13Å; F580-L583 HydrophobicContact CB-CD1 3.53Å; F580-L583 HydrophobicContact CB-CG 3.74Å; F580-L583 HydrophobicContact CD2-CD1 3.86Å; F580-L583 HydrophobicContact CG-CD1 4.19Å; F580-L583 WeakPolarHBondContact O-CB 3.49Å; F580-L583 WeakPolarHBondContact O-CD1 3.22Å; F580-L583 WeakPolarHBondContact O-CG 3.26Å; F580-L583 PolarHBondContact O-N 2.97Å; F580-L583 VanDerWaalsContact O-N 3.13Å
581P51.3Low61.9Low93 Ų9390.1 Ų90.160%0.60446%0.46SS*.G310 helixtrans-65.6-28.6-175.3-25.334.7000115.6L583 T584P581-L583 PolarHBondContact O-N 2.81Å; P581-T584 PolarHBondContact O-N 3.2Å; P581-T584 PolarHBondContact O-OG1 2.99Å; P581-T584 VanDerWaalsContact O-OG1 3.11Å
582W54.5Low60.1Low123 Ų12394.6 Ų94.647%0.46648%0.481SS..G310 helixtrans-67.9-2.7174.758.278.9000113.3P302 F580P302-W582 HydrophobicContact CG-CG 4.37Å; F580-W582 HydrophobicContact CB-CD2 3.95Å; F580-W582 VanDerWaalsContact CB-CE2 3.47Å; F580-W582 HydrophobicContact CB-CE3 4.37Å; F580-W582 HydrophobicContact CB-CH2 4.01Å; F580-W582 HydrophobicContact CB-CZ2 3.52Å; F580-W582 HydrophobicContact CB-CZ3 4.4Å; F580-W582 AromaticContact CD1-CH2 3.39Å; F580-W582 HydrophobicContact CD1-CH2 3.39Å; F580-W582 AromaticContact CD1-CZ2 3.3Å; F580-W582 HydrophobicContact CD1-CZ2 3.3Å; F580-W582 HydrophobicContact CD1-CZ3 4.31Å; F580-W582 HydrophobicContact CE1-CH2 4.18Å; F580-W582 HydrophobicContact CE1-CZ2 4.09Å; F580-W582 AromaticContact CG-CE2 3.98Å; F580-W582 HydrophobicContact CG-CH2 4.04Å; F580-W582 AromaticContact CG-CZ2 3.54Å; F580-W582 HydrophobicContact CG-CZ2 3.54Å; F580-W582 PolarHBondContact O-N 3.13Å
583L51.7Low58.3Low13 Ų1395 Ų957%0.06847%0.473CS..G310 helixtrans-82.9-18.2177-57168.7000112.8Q276 R303 Q578 F580 P581Q276-L583 HydrophobicContact CG-CD2 4.17Å; R303-L583 HydrophobicContact CG-CD2 4.3Å; R303-L583 VanDerWaalsContact NH2-CA 3.35Å; R303-L583 PolarHBondContact NH2-O 2.67Å; Q578-L583 HydrophobicContact CB-CB 4.46Å; Q578-L583 HydrophobicContact CB-CD1 4.22Å; F580-L583 HydrophobicContact CB-CD1 3.53Å; F580-L583 HydrophobicContact CB-CG 3.74Å; F580-L583 HydrophobicContact CD2-CD1 3.86Å; F580-L583 HydrophobicContact CG-CD1 4.19Å; F580-L583 WeakPolarHBondContact O-CB 3.49Å; F580-L583 WeakPolarHBondContact O-CD1 3.22Å; F580-L583 WeakPolarHBondContact O-CG 3.26Å; F580-L583 PolarHBondContact O-N 2.97Å; F580-L583 VanDerWaalsContact O-N 3.13Å; P581-L583 PolarHBondContact O-N 2.81Å
584T49.3Very low56.3Low98 Ų98100.6 Ų100.660%0.60150%0.499SS*.THydrogen-bonded Turntrans-102.4-12.2174.352.90000112.3Q578 P581 S586Q578-T584 HydrophobicContact CG-CG2 3.8Å; P581-T584 PolarHBondContact O-N 3.2Å; P581-T584 PolarHBondContact O-OG1 2.99Å; P581-T584 VanDerWaalsContact O-OG1 3.11Å; T584-S586 PolarHBondContact O-N 3.23Å
585R45.5Very low54.3Low177 Ų177100.7 Ų100.767%0.66850%0.497SS*.  trans-75.4106.2166.4-69.8-171.9179.2-175.9-0.8108.7N587R585-N587 VanDerWaalsContact C-N 3.28Å; R585-N587 PolarHBondContact O-N 3.12Å; R585-N587 VanDerWaalsContact O-N 3.08Å
586S40.1Very low52.4Low84 Ų84103 Ų10359%0.58752%0.515SS*.  trans-63.5104.5146-73.20000105.2T584 L588T584-S586 PolarHBondContact O-N 3.23Å; S586-L588 PolarHBondContact O-N 3.11Å
587N33.4Very low50.4Low140 Ų140109.1 Ų109.175%0.74955%0.547SS*.  trans-67.780.1155.1-69.5-13.8000104.7R585R585-N587 VanDerWaalsContact C-N 3.28Å; R585-N587 PolarHBondContact O-N 3.12Å; R585-N587 VanDerWaalsContact O-N 3.08Å
588L31.9Very low48.9Very low225 Ų225102.5 Ų102.5100%1.17852%0.52SS*.  trans-640167-84167.1000108.5S586S586-L588 PolarHBondContact O-N 3.11Å

Retrieved 588 of 588 residues in 401.3 ms (Link to these results)

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