A0A3Q0KTJ1_SCHMA Loading...

Putative cadherin

AlphaFold DB , UniProt , Accession A0A3Q0KTJ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,447 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.6Very low47.6Very low235 Ų235140.9 Ų140.9100%1.15866%0.659SS**  066.10-64.3-73.5-16400111.3
2N36.4Very low48.5Very low105 Ų105138.2 Ų138.256%0.56164%0.643SS**  cis-136.1122.70.8-121.66.4000109.7L4 Y5N2-L4 HydrophobicContact CB-CB 3.78Å; N2-L4 PolarHBondContact O-N 2.82Å; N2-Y5 PolarHBondContact O-N 3.06Å
3Y39.4Very low48.5Very low226 Ų226133.8 Ų133.889%0.88663%0.626SS**THydrogen-bonded Turntrans-76.340.9174.5-150.4-94.4000110.3
4L44.4Very low49.3Very low118 Ų118130.8 Ų130.862%0.61862%0.615SS**THydrogen-bonded Turntrans-152.4-17.3-150.2-104.4162.9000111.1N2N2-L4 HydrophobicContact CB-CB 3.78Å; N2-L4 PolarHBondContact O-N 2.82Å
5Y44.9Very low49.6Very low148 Ų148130 Ų13058%0.5862%0.616SS**SBendtrans-92-26.6171.5-126.8-114.2000112.6N2 Y8 Y9N2-Y5 PolarHBondContact O-N 3.06Å; Y5-Y8 WeakPolarHBondContact O-CB 3.48Å; Y5-Y8 PolarHBondContact O-N 3.34Å; Y5-Y9 HydrophobicContact CD1-CD2 4.32Å; Y5-Y9 HydrophobicContact CD1-CE2 4.08Å; Y5-Y9 HydrophobicContact CE1-CD2 4.43Å; Y5-Y9 AromaticContact CE1-CE2 3.74Å; Y5-Y9 HydrophobicContact CE1-CE2 3.74Å
6S47.9Very low50.4Low92 Ų92131.2 Ų131.264%0.64361%0.612SS**Hα-helixtrans-64.9-41.4177.7-164.50000112.3Y8 Q10S6-Y8 VanDerWaalsContact C-N 3.25Å; S6-Y8 PolarHBondContact O-N 2.8Å; S6-Q10 PolarHBondContact O-N 3.2Å
7H53.2Low50.9Low148 Ų148128.5 Ų128.569%0.68560%0.602SS**Hα-helixtrans-64.3-25.9173.2-93.7-88.4000113.6L11H7-L11 WeakPolarHBondContact O-CB 3.43Å; H7-L11 PolarHBondContact O-N 3.05Å
8Y61.3Low51.2Low107 Ų107129.2 Ų129.242%0.4260%0.603SS.*Hα-helixtrans-76.4-38.7-173.8-178.2-118.4000112.8Y5 S6 K12Y5-Y8 WeakPolarHBondContact O-CB 3.48Å; Y5-Y8 PolarHBondContact O-N 3.34Å; S6-Y8 VanDerWaalsContact C-N 3.25Å; S6-Y8 PolarHBondContact O-N 2.8Å; Y8-K12 HydrophobicContact CE2-CD 4.39Å; Y8-K12 PolarHBondContact O-N 3.22Å; Y8-K12 PolarHBondContact OH-NZ 3.25Å
9Y51.3Low51.6Low139 Ų139130.3 Ų130.355%0.54560%0.602SS.*Hα-helixtrans-85.5-30.9178.7-81.3-83.6000113.9Y5 K12 L13Y5-Y9 HydrophobicContact CD1-CD2 4.32Å; Y5-Y9 HydrophobicContact CD1-CE2 4.08Å; Y5-Y9 HydrophobicContact CE1-CD2 4.43Å; Y5-Y9 AromaticContact CE1-CE2 3.74Å; Y5-Y9 HydrophobicContact CE1-CE2 3.74Å; Y9-K12 PolarHBondContact O-N 3.12Å; Y9-L13 VanDerWaalsContact O-CB 3.28Å; Y9-L13 WeakPolarHBondContact O-CB 3.45Å; Y9-L13 PolarHBondContact O-N 3.12Å
10Q52.3Low51.6Low118 Ų118129.8 Ų129.855%0.55160%0.595SS**Hα-helixtrans-63-42.8171.6-75.1-68.1-9.300111.5S6 L13 I14S6-Q10 PolarHBondContact O-N 3.2Å; Q10-L13 PolarHBondContact O-N 3.31Å; Q10-I14 WeakPolarHBondContact O-CG1 3.16Å; Q10-I14 PolarHBondContact O-N 2.79Å
11L52.6Low51.8Low114 Ų114128.3 Ų128.360%0.59760%0.595SS**Hα-helixtrans-66.9-39.6177.4-146.974.6000112.3H7 L15H7-L11 WeakPolarHBondContact O-CB 3.43Å; H7-L11 PolarHBondContact O-N 3.05Å; L11-L15 WeakPolarHBondContact O-CB 3.23Å; L11-L15 PolarHBondContact O-N 2.74Å
12K57.4Low52.1Low108 Ų108123.9 Ų123.947%0.4758%0.575SS.*Hα-helixtrans-68.7-34174.9-85.1-174.6165.1-179.30113.7Y8 Y9 L15 W16Y8-K12 HydrophobicContact CE2-CD 4.39Å; Y8-K12 PolarHBondContact O-N 3.22Å; Y8-K12 PolarHBondContact OH-NZ 3.25Å; Y9-K12 PolarHBondContact O-N 3.12Å; K12-L15 PolarHBondContact O-N 3.34Å; K12-W16 WeakPolarHBondContact O-CB 3.47Å; K12-W16 PolarHBondContact O-N 3.46Å
13L49.1Very low52.6Low82 Ų82123.7 Ų123.743%0.42957%0.574SS.*Hα-helixtrans-72.9-38177.2-171.661.5000111.5Y9 Q10 W16 I17Y9-L13 VanDerWaalsContact O-CB 3.28Å; Y9-L13 WeakPolarHBondContact O-CB 3.45Å; Y9-L13 PolarHBondContact O-N 3.12Å; Q10-L13 PolarHBondContact O-N 3.31Å; L13-W16 HydrophobicContact CD1-CE3 4.09Å; L13-W16 PolarHBondContact O-N 2.74Å; L13-I17 HydrophobicContact CD1-CD1 4.14Å; L13-I17 HydrophobicContact CD1-CG1 4.3Å; L13-I17 HydrophobicContact CG-CD1 3.86Å; L13-I17 HydrophobicContact CG-CG1 4.41Å; L13-I17 WeakPolarHBondContact O-CB 3.35Å; L13-I17 VanDerWaalsContact O-CG1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.05Å; L13-I17 PolarHBondContact O-N 2.77Å
14I60.2Low52.6Low91 Ų91118.5 Ų118.547%0.46756%0.561SS.*Hα-helixtrans-61.5-45170.9-69.8168.8000110.7Q10 W16 I17 F18Q10-I14 WeakPolarHBondContact O-CG1 3.16Å; Q10-I14 PolarHBondContact O-N 2.79Å; I14-W16 VanDerWaalsContact C-N 3.31Å; I14-W16 PolarHBondContact O-N 2.84Å; I14-I17 PolarHBondContact O-N 3.49Å; I14-F18 HydrophobicContact CG2-CD2 4.27Å; I14-F18 PolarHBondContact O-N 2.91Å
15L53.9Low52.6Low119 Ų119117.6 Ų117.662%0.62357%0.565SS**Hα-helixtrans-64.7-29.9175.3-85.6159.4000113.6L11 K12 Y19L11-L15 WeakPolarHBondContact O-CB 3.23Å; L11-L15 PolarHBondContact O-N 2.74Å; K12-L15 PolarHBondContact O-N 3.34Å; L15-Y19 VanDerWaalsContact O-CB 3.24Å; L15-Y19 WeakPolarHBondContact O-CB 3.26Å; L15-Y19 PolarHBondContact O-N 2.7Å
16W61.7Low52.3Low149 Ų149113.8 Ų113.856%0.56457%0.57SS**Hα-helixtrans-80.9-37.9176.4-17173.9000112.9K12 L13 I14 Y19 W20K12-W16 WeakPolarHBondContact O-CB 3.47Å; K12-W16 PolarHBondContact O-N 3.46Å; L13-W16 HydrophobicContact CD1-CE3 4.09Å; L13-W16 PolarHBondContact O-N 2.74Å; I14-W16 VanDerWaalsContact C-N 3.31Å; I14-W16 PolarHBondContact O-N 2.84Å; W16-Y19 PolarHBondContact O-N 3.32Å; W16-W20 AromaticContact CE2-CD1 3.69Å; W16-W20 AromaticContact CE2-NE1 3.84Å; W16-W20 AromaticContact NE1-CD1 3.6Å; W16-W20 AromaticContact NE1-NE1 3.56Å; W16-W20 PolarHBondContact O-N 3.27Å
17I59.7Low51.6Low86 Ų86119.3 Ų119.344%0.44158%0.583SS.*Hα-helixtrans-67.8-44.2176.4-70.4171.3000110.4L13 I14 Y19 W20 V21L13-I17 HydrophobicContact CD1-CD1 4.14Å; L13-I17 HydrophobicContact CD1-CG1 4.3Å; L13-I17 HydrophobicContact CG-CD1 3.86Å; L13-I17 HydrophobicContact CG-CG1 4.41Å; L13-I17 WeakPolarHBondContact O-CB 3.35Å; L13-I17 VanDerWaalsContact O-CG1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.05Å; L13-I17 PolarHBondContact O-N 2.77Å; I14-I17 PolarHBondContact O-N 3.49Å; I17-Y19 VanDerWaalsContact C-N 3.29Å; I17-Y19 PolarHBondContact O-N 3.15Å; I17-W20 PolarHBondContact O-N 3.37Å; I17-V21 HydrophobicContact CG2-CG2 4.23Å; I17-V21 WeakPolarHBondContact O-CB 3.21Å; I17-V21 VanDerWaalsContact O-CG2 3.26Å; I17-V21 WeakPolarHBondContact O-CG2 3.42Å; I17-V21 PolarHBondContact O-N 2.99Å
18F56.3Low50.4Low141 Ų141118.4 Ų118.462%0.61859%0.591SS**Hα-helixtrans-58.2-42.8171.4-102.6-87000111.7I14 W20 V21 L22I14-F18 HydrophobicContact CG2-CD2 4.27Å; I14-F18 PolarHBondContact O-N 2.91Å; F18-W20 VanDerWaalsContact C-N 3.35Å; F18-W20 PolarHBondContact O-N 2.85Å; F18-V21 PolarHBondContact O-N 3.27Å; F18-L22 WeakPolarHBondContact O-CB 3.4Å; F18-L22 PolarHBondContact O-N 2.92Å
19Y57.3Low49.1Very low149 Ų149121.8 Ų121.858%0.58462%0.616SS**Hα-helixtrans-65.2-31.4-179.3-174.5-101.4000114L15 W16 I17 L23L15-Y19 VanDerWaalsContact O-CB 3.24Å; L15-Y19 WeakPolarHBondContact O-CB 3.26Å; L15-Y19 PolarHBondContact O-N 2.7Å; W16-Y19 PolarHBondContact O-N 3.32Å; I17-Y19 VanDerWaalsContact C-N 3.29Å; I17-Y19 PolarHBondContact O-N 3.15Å; Y19-L23 HydrophobicContact CE1-CD1 4.43Å
20W52.2Low48Very low120 Ų120119.5 Ų119.546%0.45563%0.625SS.*Hα-helixtrans-89.2-30175.9-88.683.1000114.4W16 I17 F18 L22 L23 L24W16-W20 AromaticContact CE2-CD1 3.69Å; W16-W20 AromaticContact CE2-NE1 3.84Å; W16-W20 AromaticContact NE1-CD1 3.6Å; W16-W20 AromaticContact NE1-NE1 3.56Å; W16-W20 PolarHBondContact O-N 3.27Å; I17-W20 PolarHBondContact O-N 3.37Å; F18-W20 VanDerWaalsContact C-N 3.35Å; F18-W20 PolarHBondContact O-N 2.85Å; W20-L22 PolarHBondContact O-N 2.87Å; W20-L23 PolarHBondContact O-N 3.4Å; W20-L23 VanDerWaalsContact O-N 3.15Å; W20-L24 HydrophobicContact CE3-CB 4.09Å; W20-L24 HydrophobicContact CE3-CD1 4.16Å; W20-L24 HydrophobicContact CH2-CD1 3.82Å; W20-L24 HydrophobicContact CZ3-CB 3.95Å; W20-L24 HydrophobicContact CZ3-CD1 3.43Å; W20-L24 VanDerWaalsContact CZ3-CD1 3.43Å; W20-L24 HydrophobicContact CZ3-CG 4.33Å; W20-L24 PolarHBondContact O-N 2.72Å
21V56.7Low47.5Very low100 Ų100120.6 Ų120.661%0.60664%0.64SS**Hα-helixtrans-64.4-31.8168.9169.50000111I17 F18 L23I17-V21 HydrophobicContact CG2-CG2 4.23Å; I17-V21 WeakPolarHBondContact O-CB 3.21Å; I17-V21 VanDerWaalsContact O-CG2 3.26Å; I17-V21 WeakPolarHBondContact O-CG2 3.42Å; I17-V21 PolarHBondContact O-N 2.99Å; F18-V21 PolarHBondContact O-N 3.27Å; V21-L23 PolarHBondContact O-N 3.06Å
22L45.7Very low47.2Very low141 Ų141123.1 Ų123.174%0.73865%0.654SS**THydrogen-bonded Turntrans-71.93.7172.1-103150.8000115.1F18 W20F18-L22 WeakPolarHBondContact O-CB 3.4Å; F18-L22 PolarHBondContact O-N 2.92Å; W20-L22 PolarHBondContact O-N 2.87Å
23L47.4Very low47.4Very low102 Ų102122.5 Ų122.553%0.53465%0.653SS.*THydrogen-bonded Turntrans-133.2-57.7-168-109.1164.4000116.5Y19 W20 V21Y19-L23 HydrophobicContact CE1-CD1 4.43Å; W20-L23 PolarHBondContact O-N 3.4Å; W20-L23 VanDerWaalsContact O-N 3.15Å; V21-L23 PolarHBondContact O-N 3.06Å
24L39.1Very low48.8Very low116 Ų116121 Ų12161%0.60765%0.645SS**  trans-138.28.1-151.2-82.2167.2000119.1W20W20-L24 HydrophobicContact CE3-CB 4.09Å; W20-L24 HydrophobicContact CE3-CD1 4.16Å; W20-L24 HydrophobicContact CH2-CD1 3.82Å; W20-L24 HydrophobicContact CZ3-CB 3.95Å; W20-L24 HydrophobicContact CZ3-CD1 3.43Å; W20-L24 VanDerWaalsContact CZ3-CD1 3.43Å; W20-L24 HydrophobicContact CZ3-CG 4.33Å; W20-L24 PolarHBondContact O-N 2.72Å
25S45.5Very low49.9Very low100 Ų100120.3 Ų120.370%0.69964%0.639SS**  trans-122.5117.4175.960.50000112.9
26G38.5Very low51.6Low67 Ų67115.2 Ų115.269%0.69161%0.613SS**  cis-173.9147.3-5.600000111.4C28G26-C28 PolarHBondContact O-N 2.83Å
27K33.3Very low53Low209 Ų209116.4 Ų116.491%0.90962%0.617SS**  trans-78.5108.6-176.5-63.1-179.8-179.9-179.60111.3L29K27-L29 PolarHBondContact O-N 2.83Å
28C27.1Very low54.5Low128 Ų128113.7 Ų113.787%0.86560%0.603SS**  trans-77.1109.5160.6-74.20000109.3G26 A30G26-C28 PolarHBondContact O-N 2.83Å; C28-A30 PolarHBondContact O-N 2.82Å
29L32.9Very low56.1Low179 Ų179114.6 Ų114.694%0.93760%0.603SS**  trans-73.7117.1167.5-85.8149.8000109K27K27-L29 PolarHBondContact O-N 2.83Å
30A29.5Very low57.7Low90 Ų90108 Ų10874%0.74458%0.577SS**  trans-125.1121.9174.200000109.9C28C28-A30 PolarHBondContact O-N 2.82Å
31V40.6Very low59.5Low141 Ų141108.6 Ų108.686%0.85558%0.579SS**  trans3.2129.9159.8-169.70000117.6E33V31-E33 PolarHBondContact O-N 3.13Å
32D47.7Very low61.1Low168 Ų168104 Ų10490%0.89855%0.552SS**  trans-50.6126.7172.5-73.4-44.4000112.6
33E60.5Low63.2Low95 Ų95101.2 Ų101.244%0.44453%0.534SS..  trans-93142.7-179.7-171.1164.4-143.100111.3V31 E35 S126 L128V31-E33 PolarHBondContact O-N 3.13Å; E33-E35 PolarHBondContact O-N 2.86Å; E33-S126 VanDerWaalsContact OE1-CB 3.3Å; E33-S126 WeakPolarHBondContact OE1-CB 3.43Å; E33-S126 PolarHBondContact OE1-OG 3.21Å; E33-L128 HydrophobicContact CG-CB 3.91Å
34I78.2Confident65.1Low50 Ų5098.7 Ų98.726%0.25652%0.521SS..EExtended strand (participates in β ladder)trans-72.5112.7-179.4-58.3176.7000108.7L57 A125 V127 L128I34-L57 HydrophobicContact CD1-CD2 4.43Å; I34-A125 HydrophobicContact CD1-CB 4.21Å; I34-V127 HydrophobicContact CB-CG2 4.11Å; I34-V127 HydrophobicContact CG2-CG1 4.21Å; I34-V127 HydrophobicContact CG2-CG2 4.08Å; I34-V127 CarbonylContact O-C 3.53Å; I34-V127 WeakPolarHBondContact O-CA 3.11Å; I34-V127 VanDerWaalsContact O-CG1 3.29Å; I34-V127 WeakPolarHBondContact O-CG1 3.43Å; I34-L128 PolarHBondContact O-N 3.01Å
35E84.2Confident67.5Low77 Ų7795.9 Ų95.936%0.3652%0.515SS..EExtended strand (participates in β ladder)trans-92.7133.7-177-167.3170.4121.500112.7E33 R37 K130E33-E35 PolarHBondContact O-N 2.86Å; E35-R37 HydrophobicContact CG-CG 4.49Å; E35-R37 IonicContact OE1-CZ 3.17Å; E35-R37 IonicContact OE1-NE 2.74Å; E35-R37 PolarHBondContact OE1-NE 3.38Å; E35-R37 IonicContact OE1-NH2 2.74Å; E35-R37 PolarHBondContact OE1-NH2 3.26Å; E35-K130 HydrophobicContact CG-CD 3.87Å; E35-K130 IonicContact OE1-NZ 3.1Å; E35-K130 PolarHBondContact OE1-NZ 2.7Å; E35-K130 WeakPolarHBondContact OE2-CE 3.32Å; E35-K130 IonicContact OE2-NZ 3.19Å; E35-K130 PolarHBondContact OE2-NZ 2.74Å
36L89.3Confident69.5Low12 Ų1294.3 Ų94.36%0.06350%0.502CS..EExtended strand (participates in β ladder)trans-123.9112.917317258.2000109.7L38 V53 I83 V127 L128 L129 K130L36-L38 HydrophobicContact CD1-CD2 4.24Å; L36-L38 HydrophobicContact CG-CG 4.4Å; L36-V53 HydrophobicContact CD2-CB 4.32Å; L36-V53 HydrophobicContact CD2-CG2 4.25Å; L36-I83 HydrophobicContact CD2-CD1 3.54Å; L36-V127 HydrophobicContact CB-CG1 3.79Å; L36-L128 PolarHBondContact N-O 3.25Å; L36-L129 HydrophobicContact CD2-CD1 4.21Å; L36-L129 HydrophobicContact CG-CD1 4.12Å; L36-L129 WeakPolarHBondContact O-CA 3.4Å; L36-K130 PolarHBondContact O-N 3.42Å
37R90.8Very high71.9Confident174 Ų17495 Ų9566%0.65750%0.496SS*.EExtended strand (participates in β ladder)trans-95.3130.4173.6-60.4-171.7-171.4-169.41.4111.1E35 K130E35-R37 HydrophobicContact CG-CG 4.49Å; E35-R37 IonicContact OE1-CZ 3.17Å; E35-R37 IonicContact OE1-NE 2.74Å; E35-R37 PolarHBondContact OE1-NE 3.38Å; E35-R37 IonicContact OE1-NH2 2.74Å; E35-R37 PolarHBondContact OE1-NH2 3.26Å; R37-K130 CarbonylContact C-O 3.46Å; R37-K130 WeakPolarHBondContact CA-O 3.25Å; R37-K130 HydrophobicContact CG-CB 4.3Å
38L91.6Very high74.6Confident29 Ų2988 Ų8815%0.15247%0.471CS..EExtended strand (participates in β ladder)trans-125.7167.1168.7-61.3-179.7000109.8L36 I50 I83 L129 K130 V131 E132L36-L38 HydrophobicContact CD1-CD2 4.24Å; L36-L38 HydrophobicContact CG-CG 4.4Å; L38-I50 HydrophobicContact CB-CG2 3.99Å; L38-I50 HydrophobicContact CD1-CB 4.17Å; L38-I50 HydrophobicContact CD1-CG2 3.79Å; L38-I50 HydrophobicContact CG-CG2 4.49Å; L38-I83 HydrophobicContact CD1-CB 4.36Å; L38-I83 HydrophobicContact CD1-CD1 3.91Å; L38-I83 HydrophobicContact CD1-CG2 4.24Å; L38-L129 HydrophobicContact CB-CD1 4.49Å; L38-L129 HydrophobicContact CD1-CD1 3.79Å; L38-L129 HydrophobicContact CG-CD1 3.99Å; L38-K130 PolarHBondContact N-O 2.73Å; L38-V131 HydrophobicContact CB-CG1 4.43Å; L38-V131 HydrophobicContact CB-CG2 4.4Å; L38-V131 WeakPolarHBondContact O-CA 2.93Å; L38-E132 PolarHBondContact O-N 3.2Å
39R90.9Very high77.7Confident160 Ų16089.1 Ų89.160%0.60446%0.457SS*.EExtended strand (participates in β ladder)trans-127.8143.3173.5-63.5-171.3156.1-173.8-17.4109.5E132R39-E132 WeakPolarHBondContact CA-O 3.41Å; R39-E132 HydrophobicContact CG-CB 4.2Å; R39-E132 IonicContact CZ-OE1 3.62Å; R39-E132 IonicContact CZ-OE2 3.96Å; R39-E132 IonicContact NE-OE1 3.8Å; R39-E132 IonicContact NE-OE2 2.73Å; R39-E132 PolarHBondContact NE-OE2 3.45Å; R39-E132 IonicContact NH2-OE1 2.79Å; R39-E132 PolarHBondContact NH2-OE1 3.18Å; R39-E132 IonicContact NH2-OE2 3.6Å; R39-E132 PolarHBondContact NH2-OE2 2.72Å
40M90.3Very high80.4Confident11 Ų1182.1 Ų82.15%0.05442%0.42CS..EExtended strand (participates in β ladder)trans-147.3160168.168.3-179.9-83.900110.1I44 I50 F74 V85 I89 V131 E132 I133 Q134M40-I44 HydrophobicContact CB-CD1 4.26Å; M40-I44 HydrophobicContact CE-CB 4.03Å; M40-I44 HydrophobicContact CE-CD1 4.47Å; M40-I50 HydrophobicContact CB-CG2 4.33Å; M40-I50 HydrophobicContact SD-CD1 3.77Å; M40-I50 HydrophobicContact SD-CG1 4.46Å; M40-F74 HydrophobicContact SD-CE1 3.93Å; M40-V85 HydrophobicContact CE-CG2 3.79Å; M40-V85 HydrophobicContact SD-CG2 4.31Å; M40-I89 HydrophobicContact CE-CD1 3.77Å; M40-I89 HydrophobicContact SD-CD1 3.94Å; M40-V131 HydrophobicContact CB-CG1 4.35Å; M40-V131 HydrophobicContact CG-CG1 3.66Å; M40-V131 HydrophobicContact SD-CG1 3.96Å; M40-E132 PolarHBondContact N-O 2.71Å; M40-I133 HydrophobicContact CG-CD1 3.51Å; M40-I133 CarbonylContact O-C 3.58Å; M40-I133 WeakPolarHBondContact O-CA 3.43Å; M40-I133 HydrophobicContact SD-CD1 3.9Å; M40-Q134 PolarHBondContact O-N 2.87Å
41R90.6Very high83.3Confident131 Ų13178.5 Ų78.549%0.49439%0.392SS..EExtended strand (participates in β ladder)trans-80.9158.7163.5-62.4161.4178.1-1395.8109.3I44 Q134 Q136R41-I44 HydrophobicContact CB-CD1 4Å; R41-I44 HydrophobicContact CB-CG1 4.25Å; R41-I44 WeakPolarHBondContact O-CD1 3.41Å; R41-I44 WeakPolarHBondContact O-CG1 3.19Å; R41-Q134 HydrophobicContact CG-CB 4.23Å; R41-Q136 HydrophobicContact CB-CG 4.13Å; R41-Q136 HydrophobicContact CG-CG 4.47Å
42E90.2Very high85.5Confident5 Ų573.1 Ų73.12%0.02336%0.36CS..THydrogen-bonded Turntrans-67.3174164.667.1-16811100113.2I44 I89 R91 I133 Q134 D135 Q136E42-I44 PolarHBondContact O-N 3.23Å; E42-I89 WeakPolarHBondContact CA-O 3.27Å; E42-I89 VanDerWaalsContact CB-O 3.29Å; E42-I89 WeakPolarHBondContact CB-O 3.15Å; E42-R91 HydrophobicContact CB-CB 4.19Å; E42-R91 HydrophobicContact CG-CB 4.47Å; E42-R91 WeakPolarHBondContact OE1-CB 3.24Å; E42-R91 WeakPolarHBondContact OE1-CD 3.29Å; E42-R91 IonicContact OE1-NE 2.72Å; E42-R91 PolarHBondContact OE1-NE 2.86Å; E42-R91 WeakPolarHBondContact OE2-CA 3.29Å; E42-R91 WeakPolarHBondContact OE2-CB 3.44Å; E42-R91 PolarHBondContact OE2-N 2.79Å; E42-I133 HydrophobicContact CB-CG2 3.87Å; E42-Q134 PolarHBondContact N-O 2.92Å; E42-D135 WeakPolarHBondContact OE1-CA 3.27Å; E42-Q136 HydrophobicContact CG-CB 4.18Å; E42-Q136 HydrophobicContact CG-CG 3.96Å; E42-Q136 PolarHBondContact OE1-N 2.88Å
43E88.2Confident87.4Confident81 Ų8165.1 Ų65.138%0.37932%0.318SS..THydrogen-bonded Turntrans52.612.3-179.7-68.2-58.3100.800116.3A45 L88 I89E43-A45 PolarHBondContact O-N 3.25Å; E43-L88 VanDerWaalsContact OE1-CG 3.25Å; E43-L88 WeakPolarHBondContact OE1-CG 3.28Å; E43-L88 WeakPolarHBondContact OE2-CD2 3.4Å; E43-I89 PolarHBondContact N-O 2.83Å
44I88.2Confident88.4Confident49 Ų4963.4 Ų63.425%0.25131%0.311SS..PPolyproline II helixtrans-66.7127172.8-68.5-177.2000109.9M40 R41 E42 T48 V85M40-I44 HydrophobicContact CB-CD1 4.26Å; M40-I44 HydrophobicContact CE-CB 4.03Å; M40-I44 HydrophobicContact CE-CD1 4.47Å; R41-I44 HydrophobicContact CB-CD1 4Å; R41-I44 HydrophobicContact CB-CG1 4.25Å; R41-I44 WeakPolarHBondContact O-CD1 3.41Å; R41-I44 WeakPolarHBondContact O-CG1 3.19Å; E42-I44 PolarHBondContact O-N 3.23Å; I44-T48 HydrophobicContact CG2-CG2 3.59Å; I44-V85 HydrophobicContact CG2-CG2 3.99Å
45A89Confident88.3Confident58 Ų5864.6 Ų64.648%0.47932%0.324SS..PPolyproline II helixtrans-54.3141.6-17800000113.4E43 T48E43-A45 PolarHBondContact O-N 3.25Å; A45-T48 VanDerWaalsContact O-CB 3.24Å; A45-T48 WeakPolarHBondContact O-CB 3.18Å; A45-T48 PolarHBondContact O-N 2.94Å; A45-T48 PolarHBondContact O-OG1 2.87Å
46P87.7Confident88.1Confident67 Ų6762.3 Ų62.344%0.43532%0.316SS..THydrogen-bonded Turntrans-52.9154.7174.7-27.535.2000114.1T48P46-T48 PolarHBondContact O-N 3.07Å
47S88.2Confident87.5Confident81 Ų8161.9 Ų61.957%0.56631%0.314SS*.THydrogen-bonded Turntrans68.1-4.9-172.7-53.30000116.7R84 V85S47-R84 PolarHBondContact O-NH1 2.92Å; S47-V85 WeakPolarHBondContact CA-O 3.07Å; S47-V85 PolarHBondContact N-O 3.35Å
48T91.7Very high86.6Confident61 Ų6156.8 Ų56.837%0.37430%0.303SS..  trans-62.8138.6173.7-590000111.3I44 A45 P46 R84 V85I44-T48 HydrophobicContact CG2-CG2 3.59Å; A45-T48 VanDerWaalsContact O-CB 3.24Å; A45-T48 WeakPolarHBondContact O-CB 3.18Å; A45-T48 PolarHBondContact O-N 2.94Å; A45-T48 PolarHBondContact O-OG1 2.87Å; P46-T48 PolarHBondContact O-N 3.07Å; T48-R84 CarbonylContact O-C 3.56Å; T48-R84 WeakPolarHBondContact O-CA 3.37Å; T48-R84 WeakPolarHBondContact O-CB 3.44Å; T48-V85 PolarHBondContact O-N 2.98Å
49R91.8Very high85.6Confident152 Ų15260.6 Ų60.657%0.57433%0.328SS*.EExtended strand (participates in β ladder)trans-81.3125.1-175.9-173.5-169.4-163-118.510.3111.4E82 R84R49-E82 IonicContact CZ-OE1 2.79Å; R49-E82 IonicContact NE-OE1 3.9Å; R49-E82 PolarHBondContact NE-OE1 2.97Å; R49-E82 IonicContact NE-OE2 2.82Å; R49-E82 IonicContact NH2-OE1 2.74Å; R49-E82 PolarHBondContact NH2-OE1 2.99Å; R49-R84 HydrophobicContact CB-CG 4.47Å
50I89.5Confident84.5Confident32 Ų3260 Ų6016%0.16434%0.336CS..EExtended strand (participates in β ladder)trans-100.6-41.5179.3-43.8173.4000110.9L38 M40 F74 I83 V85 V131L38-I50 HydrophobicContact CB-CG2 3.99Å; L38-I50 HydrophobicContact CD1-CB 4.17Å; L38-I50 HydrophobicContact CD1-CG2 3.79Å; L38-I50 HydrophobicContact CG-CG2 4.49Å; M40-I50 HydrophobicContact CB-CG2 4.33Å; M40-I50 HydrophobicContact SD-CD1 3.77Å; M40-I50 HydrophobicContact SD-CG1 4.46Å; I50-F74 HydrophobicContact CD1-CD1 3.47Å; I50-F74 VanDerWaalsContact CD1-CD1 3.47Å; I50-F74 HydrophobicContact CD1-CE1 3.72Å; I50-I83 HydrophobicContact CB-CG2 4.43Å; I50-I83 HydrophobicContact CD1-CG2 4.34Å; I50-I83 PolarHBondContact N-O 2.83Å; I50-V85 HydrophobicContact CD1-CG2 3.84Å; I50-V85 HydrophobicContact CG1-CG2 3.89Å; I50-V131 HydrophobicContact CG2-CG1 4.47Å
51G89.3Confident83.3Confident14 Ų1461.1 Ų61.114%0.14434%0.343CS..EExtended strand (participates in β ladder)trans-176.5-157.1-174.600000114.2I83G51-I83 PolarHBondContact N-O 2.84Å; G51-I83 PolarHBondContact O-N 3.01Å
52S88.1Confident82.2Confident28 Ų2860.7 Ų60.720%0.19634%0.341CS..EExtended strand (participates in β ladder)trans-150.8134.6174.1175.80000112.6I54 S55 G81S52-I54 PolarHBondContact O-N 2.83Å; S52-I54 PolarHBondContact OG-N 2.83Å; S52-S55 WeakPolarHBondContact O-CB 3.47Å; S52-S55 PolarHBondContact O-N 2.8Å; S52-S55 PolarHBondContact O-OG 2.86Å; S52-G81 CarbonylContact C-O 3.02Å; S52-G81 VanDerWaalsContact CA-O 3.23Å; S52-G81 WeakPolarHBondContact CA-O 3.38Å; S52-G81 PolarHBondContact OG-O 2.82Å
53V86.9Confident80.7Confident0 Ų065.2 Ų65.20%037%0.373CS..G310 helixtrans-69.5-17.1178.8770000113.6L36 S55 S56 L57 F67 V76 G81 I83 I113 V127L36-V53 HydrophobicContact CD2-CB 4.32Å; L36-V53 HydrophobicContact CD2-CG2 4.25Å; V53-S55 PolarHBondContact O-N 3.26Å; V53-S55 VanDerWaalsContact O-N 3.12Å; V53-S56 PolarHBondContact O-N 3.12Å; V53-S56 PolarHBondContact O-OG 3.03Å; V53-L57 HydrophobicContact CG1-CD1 4.28Å; V53-L57 HydrophobicContact CG2-CD1 4.37Å; V53-L57 WeakPolarHBondContact O-CG 3.45Å; V53-L57 PolarHBondContact O-N 2.85Å; V53-F67 HydrophobicContact CG1-CD1 3.57Å; V53-F67 HydrophobicContact CG1-CD2 4.41Å; V53-F67 HydrophobicContact CG1-CE1 3.61Å; V53-F67 HydrophobicContact CG1-CE2 4.42Å; V53-F67 HydrophobicContact CG1-CG 4Å; V53-F67 HydrophobicContact CG1-CZ 4.04Å; V53-V76 HydrophobicContact CG1-CG2 4.47Å; V53-G81 PolarHBondContact N-O 3.35Å; V53-I83 HydrophobicContact CB-CD1 4.31Å; V53-I113 HydrophobicContact CB-CD1 4.09Å; V53-I113 HydrophobicContact CB-CG2 4.38Å; V53-I113 HydrophobicContact CG1-CG2 4.31Å; V53-I113 HydrophobicContact CG2-CB 4.29Å; V53-I113 HydrophobicContact CG2-CD1 3.98Å; V53-I113 HydrophobicContact CG2-CG2 3.99Å; V53-V127 HydrophobicContact CG2-CB 3.95Å; V53-V127 HydrophobicContact CG2-CG1 3.87Å; V53-V127 HydrophobicContact CG2-CG2 3.88Å
54I82Confident79.1Confident60 Ų6067.4 Ų67.431%0.30838%0.384SS..G310 helixtrans-61-24.5175.5-61.8-178.5000111.4S52 R62 F67 T80S52-I54 PolarHBondContact O-N 2.83Å; S52-I54 PolarHBondContact OG-N 2.83Å; I54-R62 HydrophobicContact CG2-CG 4.5Å; I54-R62 PolarHBondContact O-NE 2.89Å; I54-R62 PolarHBondContact O-NH2 3.05Å; I54-F67 HydrophobicContact CG1-CE2 4.4Å; I54-F67 HydrophobicContact CG1-CZ 4.24Å; I54-T80 WeakPolarHBondContact CD1-O 3.2Å
55S76.1Confident78.1Confident75 Ų7567 Ų6752%0.52438%0.381SS..G310 helixtrans-64.9-4417862.70000113.6S52 V53 R62S52-S55 WeakPolarHBondContact O-CB 3.47Å; S52-S55 PolarHBondContact O-N 2.8Å; S52-S55 PolarHBondContact O-OG 2.86Å; V53-S55 PolarHBondContact O-N 3.26Å; V53-S55 VanDerWaalsContact O-N 3.12Å; S55-R62 PolarHBondContact O-NH2 3.29Å
56S79.7Confident77.7Confident29 Ų2967.5 Ų67.520%0.20337%0.373CS..THydrogen-bonded Turntrans-83.2-18.2-176.655.60000114.1V53V53-S56 PolarHBondContact O-N 3.12Å; V53-S56 PolarHBondContact O-OG 3.03Å
57L77.5Confident77.6Confident2 Ų264.8 Ų64.81%0.0136%0.355CS..SBendtrans-76.5134.1-174.3-72.6164.9000112.8I34 V53 L61 R62 F67 V115 V127I34-L57 HydrophobicContact CD1-CD2 4.43Å; V53-L57 HydrophobicContact CG1-CD1 4.28Å; V53-L57 HydrophobicContact CG2-CD1 4.37Å; V53-L57 WeakPolarHBondContact O-CG 3.45Å; V53-L57 PolarHBondContact O-N 2.85Å; L57-L61 HydrophobicContact CB-CB 4.46Å; L57-L61 HydrophobicContact CD2-CD1 3.93Å; L57-R62 VanDerWaalsContact O-CZ 3.24Å; L57-R62 PolarHBondContact O-NE 2.98Å; L57-R62 PolarHBondContact O-NH2 3.44Å; L57-F67 HydrophobicContact CD1-CE1 3.59Å; L57-F67 HydrophobicContact CD1-CZ 4.07Å; L57-V115 HydrophobicContact CD1-CG2 4.28Å; L57-V115 HydrophobicContact CD2-CG2 4.04Å; L57-V127 HydrophobicContact CD2-CG2 3.76Å; L57-V127 HydrophobicContact CG-CG2 4.37Å
58P71Confident77.4Confident67 Ų6765 Ų6544%0.43535%0.349SS..  trans-49.2145.2168.2-30.234.6000113N60 L61P58-N60 PolarHBondContact O-N 2.76Å; P58-L61 HydrophobicContact CG-CD1 4.42Å; P58-L61 PolarHBondContact O-N 3.45Å
59V70.3Confident77.1Confident110 Ų11063.9 Ų63.967%0.66734%0.342SS*.G310 helixtrans-50.9-39.2-173.4-177.80000112.5L61 R62V59-L61 PolarHBondContact O-N 2.72Å; V59-R62 PolarHBondContact O-N 3.46Å
60N67.2Low76.9Confident146 Ų14660.8 Ų60.878%0.78134%0.337SS*.G310 helixtrans-63.1-21.1-179.1-56.1-2.2000114.1P58P58-N60 PolarHBondContact O-N 2.76Å
61L66Low76.7Confident36 Ų3660.3 Ų60.319%0.18834%0.336CS..G310 helixtrans-95.3-8-178.7-54.9-176.5000113.2L57 P58 V59 S63 M65 A125L57-L61 HydrophobicContact CB-CB 4.46Å; L57-L61 HydrophobicContact CD2-CD1 3.93Å; P58-L61 HydrophobicContact CG-CD1 4.42Å; P58-L61 PolarHBondContact O-N 3.45Å; V59-L61 PolarHBondContact O-N 2.72Å; L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 2.8Å; L61-M65 HydrophobicContact CB-CE 4.21Å; L61-M65 HydrophobicContact CB-SD 3.86Å; L61-M65 HydrophobicContact CD2-CE 3.65Å; L61-M65 HydrophobicContact CD2-SD 4.09Å; L61-M65 HydrophobicContact CG-SD 4.48Å; L61-A125 HydrophobicContact CD1-CB 4.2Å
62R66.6Low76.6Confident121 Ų12164 Ų6446%0.45736%0.356SS..THydrogen-bonded Turntrans-76.8-7.3-165.8-64.5-174.4-180-157.7-10.8115.9I54 S55 L57 V59I54-R62 HydrophobicContact CG2-CG 4.5Å; I54-R62 PolarHBondContact O-NE 2.89Å; I54-R62 PolarHBondContact O-NH2 3.05Å; S55-R62 PolarHBondContact O-NH2 3.29Å; L57-R62 VanDerWaalsContact O-CZ 3.24Å; L57-R62 PolarHBondContact O-NE 2.98Å; L57-R62 PolarHBondContact O-NH2 3.44Å; V59-R62 PolarHBondContact O-N 3.46Å
63S59.3Low76.7Confident101 Ų10164.3 Ų64.371%0.70635%0.354SS*.THydrogen-bonded Turntrans-119-3.5-160.953.10000116.9L61L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 2.8Å
64Q55.7Low76.9Confident127 Ų12764.4 Ų64.459%0.59336%0.355SS*.SBendtrans-152.726.7-170.7-128.616837.700116.8K118Q64-K118 VanDerWaalsContact O-CB 3.26Å; Q64-K118 WeakPolarHBondContact O-CB 3.47Å; Q64-K118 PolarHBondContact O-N 2.99Å
65M67.4Low77.3Confident39 Ų3964.7 Ų64.719%0.19236%0.359CS..EExtended strand (participates in β ladder)trans-125.6162.4-164.4-58.7-171.4179.600114.5L61 V115 T116 A124L61-M65 HydrophobicContact CB-CE 4.21Å; L61-M65 HydrophobicContact CB-SD 3.86Å; L61-M65 HydrophobicContact CD2-CE 3.65Å; L61-M65 HydrophobicContact CD2-SD 4.09Å; L61-M65 HydrophobicContact CG-SD 4.48Å; M65-V115 HydrophobicContact CB-CG1 3.62Å; M65-V115 HydrophobicContact CG-CG1 4.08Å; M65-V115 HydrophobicContact SD-CG1 3.51Å; M65-V115 VanDerWaalsContact SD-CG1 3.51Å; M65-T116 CarbonylContact C-O 3.46Å; M65-T116 WeakPolarHBondContact CA-O 3.49Å; M65-T116 WeakPolarHBondContact CB-O 3.46Å; M65-A124 HydrophobicContact CE-CB 3.98Å; M65-A124 HydrophobicContact SD-CB 3.7Å
66H80.2Confident78Confident69 Ų6962 Ų6232%0.31934%0.339SS..EExtended strand (participates in β ladder)trans-119.6139.6179.2-176.4-78.8000109.4P78 T116H66-P78 WeakPolarHBondContact CA-O 3.41Å; H66-P78 WeakPolarHBondContact NE2-CB 3.25Å; H66-T116 PolarHBondContact N-O 2.85Å; H66-T116 PolarHBondContact O-N 3.03Å
67F85.1Confident78.4Confident11 Ų1162.4 Ų62.45%0.04834%0.341CS..EExtended strand (participates in β ladder)trans-107.3138.9-175.2-54.5-68000112.4V53 I54 L57 V76 P78 V115V53-F67 HydrophobicContact CG1-CD1 3.57Å; V53-F67 HydrophobicContact CG1-CD2 4.41Å; V53-F67 HydrophobicContact CG1-CE1 3.61Å; V53-F67 HydrophobicContact CG1-CE2 4.42Å; V53-F67 HydrophobicContact CG1-CG 4Å; V53-F67 HydrophobicContact CG1-CZ 4.04Å; I54-F67 HydrophobicContact CG1-CE2 4.4Å; I54-F67 HydrophobicContact CG1-CZ 4.24Å; L57-F67 HydrophobicContact CD1-CE1 3.59Å; L57-F67 HydrophobicContact CD1-CZ 4.07Å; F67-V76 HydrophobicContact CB-CG1 3.91Å; F67-V76 HydrophobicContact CB-CG2 3.88Å; F67-P78 WeakPolarHBondContact CD2-O 3.47Å; F67-P78 PolarHBondContact N-O 3Å; F67-V115 HydrophobicContact CD1-CG1 4.26Å; F67-V115 HydrophobicContact CD1-CG2 4.05Å; F67-V115 HydrophobicContact CE1-CG1 3.88Å; F67-V115 HydrophobicContact CE1-CG2 4.07Å
68L83.3Confident78.7Confident84 Ų8464.9 Ų64.944%0.4436%0.357SS..EExtended strand (participates in β ladder)trans-135.6159173.9-65172.1000108.9I113 F114L68-I113 CarbonylContact O-C 3.58Å; L68-I113 VanDerWaalsContact O-CA 3.27Å; L68-I113 WeakPolarHBondContact O-CA 3.5Å; L68-I113 WeakPolarHBondContact O-CG2 3.37Å; L68-F114 HydrophobicContact CB-CB 4.41Å; L68-F114 PolarHBondContact N-O 3.12Å; L68-F114 PolarHBondContact O-N 2.8Å
69T87Confident79.2Confident38 Ų3866.6 Ų66.623%0.23337%0.366CS..EExtended strand (participates in β ladder)trans-141.6153.7173.2-1740000111.1S71 F74 V76 S112T69-S71 PolarHBondContact OG1-N 2.88Å; T69-F74 WeakPolarHBondContact CG2-O 3.37Å; T69-V76 HydrophobicContact CG2-CB 4.36Å; T69-V76 HydrophobicContact CG2-CG1 3.99Å; T69-S112 WeakPolarHBondContact CA-O 3.05Å; T69-S112 WeakPolarHBondContact CB-O 3.45Å; T69-S112 PolarHBondContact OG1-O 3.44Å
70D86.7Confident79.9Confident87 Ų8764.2 Ų64.247%0.46535%0.352SS..  trans-83.3-11.1174.360.74000113.7A111 S112 F114D70-A111 WeakPolarHBondContact OD1-CA 3.35Å; D70-S112 VanDerWaalsContact CG-N 3.28Å; D70-S112 PolarHBondContact N-O 3.16Å; D70-S112 PolarHBondContact OD1-N 2.88Å; D70-S112 WeakPolarHBondContact OD2-CB 3.46Å; D70-S112 PolarHBondContact OD2-N 2.92Å; D70-S112 VanDerWaalsContact OD2-N 3.12Å; D70-S112 PolarHBondContact OD2-OG 2.78Å; D70-F114 HydrophobicContact CB-CE2 4.17Å; D70-F114 HydrophobicContact CB-CZ 4.42Å
71S86Confident80.8Confident22 Ų2257.2 Ų57.215%0.15432%0.315CS..  trans-77.8144.6-167.8-159.60000114T69 F73 F74T69-S71 PolarHBondContact OG1-N 2.88Å; S71-F73 PolarHBondContact OG-N 3.36Å; S71-F74 PolarHBondContact OG-N 2.95Å
72T87Confident81.9Confident92 Ų9257.3 Ų57.356%0.56431%0.314SS*.SBendtrans-93-16.5161.454.70000112.5R87T72-R87 WeakPolarHBondContact O-CG 3.44Å; T72-R87 PolarHBondContact OG1-NH2 2.8Å
73F88.9Confident83.1Confident35 Ų3551.6 Ų51.615%0.15429%0.293CS..SBendtrans-86.2-27.3178.5-63.6-71.8000112.6S71 G86 R87 I89 L94 L109S71-F73 PolarHBondContact OG-N 3.36Å; F73-G86 PolarHBondContact O-N 3.16Å; F73-R87 HydrophobicContact CD1-CG 4.09Å; F73-R87 VanDerWaalsContact CE1-CZ 3.48Å; F73-I89 HydrophobicContact CB-CD1 4.22Å; F73-I89 HydrophobicContact CD1-CD1 4.34Å; F73-I89 HydrophobicContact CD1-CG1 3.82Å; F73-L94 HydrophobicContact CD1-CD1 4.34Å; F73-L94 HydrophobicContact CE1-CD1 3.56Å; F73-L94 HydrophobicContact CE1-CD2 3.79Å; F73-L94 HydrophobicContact CE1-CG 4.35Å; F73-L94 HydrophobicContact CZ-CD1 4.14Å; F73-L94 HydrophobicContact CZ-CD2 3.66Å; F73-L109 HydrophobicContact CB-CD1 4.33Å; F73-L109 HydrophobicContact CD1-CD1 4.13Å; F73-L109 HydrophobicContact CD2-CD1 4.37Å; F73-L109 HydrophobicContact CE1-CD1 4.47Å; F73-L109 HydrophobicContact CG-CD1 4.05Å
74F91.8Very high84.7Confident1 Ų150.8 Ų50.80%0.00427%0.274CS..EExtended strand (participates in β ladder)trans-128.8144-177.4-49.3-57.4000111.1M40 I50 T69 S71 I83 R84 I89 L109 A111 L129 V131M40-F74 HydrophobicContact SD-CE1 3.93Å; I50-F74 HydrophobicContact CD1-CD1 3.47Å; I50-F74 VanDerWaalsContact CD1-CD1 3.47Å; I50-F74 HydrophobicContact CD1-CE1 3.72Å; T69-F74 WeakPolarHBondContact CG2-O 3.37Å; S71-F74 PolarHBondContact OG-N 2.95Å; F74-I83 HydrophobicContact CB-CG2 4.33Å; F74-R84 CarbonylContact C-O 3.58Å; F74-R84 WeakPolarHBondContact CA-O 3.44Å; F74-I89 HydrophobicContact CE1-CD1 3.86Å; F74-I89 HydrophobicContact CZ-CD1 4.32Å; F74-L109 HydrophobicContact CE2-CB 3.91Å; F74-L109 HydrophobicContact CZ-CB 3.87Å; F74-L109 HydrophobicContact CZ-CD1 4.02Å; F74-A111 HydrophobicContact CD2-CB 4.01Å; F74-L129 HydrophobicContact CB-CD2 4.12Å; F74-L129 HydrophobicContact CD2-CD2 3.75Å; F74-L129 HydrophobicContact CE2-CD2 4.46Å; F74-L129 HydrophobicContact CG-CD2 3.96Å; F74-V131 HydrophobicContact CD1-CG2 4.38Å; F74-V131 HydrophobicContact CD2-CG2 4.15Å; F74-V131 HydrophobicContact CE1-CB 4.14Å; F74-V131 HydrophobicContact CE1-CG1 4.24Å; F74-V131 HydrophobicContact CE1-CG2 3.83Å; F74-V131 HydrophobicContact CE2-CB 4.06Å; F74-V131 HydrophobicContact CE2-CG2 3.56Å; F74-V131 HydrophobicContact CZ-CB 3.55Å; F74-V131 HydrophobicContact CZ-CG1 4.09Å; F74-V131 HydrophobicContact CZ-CG2 3.4Å
75T91Very high86.4Confident66 Ų6644.8 Ų44.841%0.40525%0.246SC..EExtended strand (participates in β ladder)trans-116.5140171.551.90000109I83 R84T75-I83 CarbonylContact O-C 3.51Å; T75-I83 WeakPolarHBondContact O-CA 3.41Å; T75-R84 PolarHBondContact N-O 3.41Å; T75-R84 PolarHBondContact O-N 3.39Å; T75-R84 PolarHBondContact OG1-O 2.81Å
76V89.7Confident87.3Confident18 Ų1844.4 Ų44.411%0.10925%0.252CS..EExtended strand (participates in β ladder)trans-112.5132.7175.473.50000110.1V53 F67 T69 P78 E82 I83 I113V53-V76 HydrophobicContact CG1-CG2 4.47Å; F67-V76 HydrophobicContact CB-CG1 3.91Å; F67-V76 HydrophobicContact CB-CG2 3.88Å; T69-V76 HydrophobicContact CG2-CB 4.36Å; T69-V76 HydrophobicContact CG2-CG1 3.99Å; V76-P78 WeakPolarHBondContact O-CD 3.22Å; V76-E82 CarbonylContact C-O 3.56Å; V76-E82 WeakPolarHBondContact CA-O 3.39Å; V76-I83 HydrophobicContact CG2-CG1 4.24Å; V76-I113 HydrophobicContact CG1-CG2 4.37Å; V76-I113 HydrophobicContact CG2-CD1 4.5Å; V76-I113 HydrophobicContact CG2-CG2 4.26Å
77T88.9Confident87.8Confident38 Ų3846.6 Ų46.623%0.23326%0.258CS..  trans-78.2114.9-177.7-54.80000109.3T79 T80 G81 E82T77-T79 PolarHBondContact O-N 2.9Å; T77-T80 VanDerWaalsContact CB-OG1 3.27Å; T77-T80 WeakPolarHBondContact CB-OG1 3.47Å; T77-T80 WeakPolarHBondContact CG2-OG1 3.37Å; T77-T80 PolarHBondContact O-N 3.36Å; T77-G81 PolarHBondContact O-N 2.73Å; T77-E82 PolarHBondContact N-O 3.45Å; T77-E82 PolarHBondContact OG1-O 2.68Å; T77-E82 VanDerWaalsContact OG1-O 3.13Å
78P84.4Confident88Confident54 Ų5450.3 Ų50.335%0.35128%0.278SS..THydrogen-bonded Turntrans-63.6-22-160.3-27.535.7000116.6H66 F67 V76H66-P78 WeakPolarHBondContact CA-O 3.41Å; H66-P78 WeakPolarHBondContact NE2-CB 3.25Å; F67-P78 WeakPolarHBondContact CD2-O 3.47Å; F67-P78 PolarHBondContact N-O 3Å; V76-P78 WeakPolarHBondContact O-CD 3.22Å
79T81.6Confident88.2Confident103 Ų10346.3 Ų46.363%0.63226%0.257SS*.THydrogen-bonded Turntrans-104.2-17.3-177.950.50000114.7T77T77-T79 PolarHBondContact O-N 2.9Å
80T84.1Confident88.4Confident60 Ų6046.6 Ų46.637%0.36826%0.257SS..THydrogen-bonded Turntrans-123.2-8-174.460.60000113.3I54 T77 E82I54-T80 WeakPolarHBondContact CD1-O 3.2Å; T77-T80 VanDerWaalsContact CB-OG1 3.27Å; T77-T80 WeakPolarHBondContact CB-OG1 3.47Å; T77-T80 WeakPolarHBondContact CG2-OG1 3.37Å; T77-T80 PolarHBondContact O-N 3.36Å; T80-E82 PolarHBondContact O-N 2.83Å; T80-E82 VanDerWaalsContact O-N 3.12Å
81G85.4Confident88.4Confident0 Ų042.9 Ų42.90%024%0.237CC..  trans65.811.3-179.800000114.3S52 V53 T77 I83S52-G81 CarbonylContact C-O 3.02Å; S52-G81 VanDerWaalsContact CA-O 3.23Å; S52-G81 WeakPolarHBondContact CA-O 3.38Å; S52-G81 PolarHBondContact OG-O 2.82Å; V53-G81 PolarHBondContact N-O 3.35Å; T77-G81 PolarHBondContact O-N 2.73Å; G81-I83 PolarHBondContact O-N 2.04Å
82E90.1Very high88.4Confident37 Ų3743.7 Ų43.717%0.17324%0.238CC..EExtended strand (participates in β ladder)trans-67125.5177.3-67.7-162.8143.600111R49 V76 T77 T80 R84R49-E82 IonicContact CZ-OE1 2.79Å; R49-E82 IonicContact NE-OE1 3.9Å; R49-E82 PolarHBondContact NE-OE1 2.97Å; R49-E82 IonicContact NE-OE2 2.82Å; R49-E82 IonicContact NH2-OE1 2.74Å; R49-E82 PolarHBondContact NH2-OE1 2.99Å; V76-E82 CarbonylContact C-O 3.56Å; V76-E82 WeakPolarHBondContact CA-O 3.39Å; T77-E82 PolarHBondContact N-O 3.45Å; T77-E82 PolarHBondContact OG1-O 2.68Å; T77-E82 VanDerWaalsContact OG1-O 3.13Å; T80-E82 PolarHBondContact O-N 2.83Å; T80-E82 VanDerWaalsContact O-N 3.12Å; E82-R84 IonicContact OE2-CZ 2.72Å; E82-R84 IonicContact OE2-NE 3.63Å; E82-R84 IonicContact OE2-NH2 3.23Å; E82-R84 PolarHBondContact OE2-NH2 2.9Å
83I91.8Very high88.3Confident1 Ų148.6 Ų48.61%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-94128.5178.3-61.2160.4000108.1L36 L38 I50 G51 V53 F74 T75 V76 G81 I113 L129L36-I83 HydrophobicContact CD2-CD1 3.54Å; L38-I83 HydrophobicContact CD1-CB 4.36Å; L38-I83 HydrophobicContact CD1-CD1 3.91Å; L38-I83 HydrophobicContact CD1-CG2 4.24Å; I50-I83 HydrophobicContact CB-CG2 4.43Å; I50-I83 HydrophobicContact CD1-CG2 4.34Å; I50-I83 PolarHBondContact N-O 2.83Å; G51-I83 PolarHBondContact N-O 2.84Å; G51-I83 PolarHBondContact O-N 3.01Å; V53-I83 HydrophobicContact CB-CD1 4.31Å; F74-I83 HydrophobicContact CB-CG2 4.33Å; T75-I83 CarbonylContact O-C 3.51Å; T75-I83 WeakPolarHBondContact O-CA 3.41Å; V76-I83 HydrophobicContact CG2-CG1 4.24Å; G81-I83 PolarHBondContact O-N 2.04Å; I83-I113 HydrophobicContact CD1-CD1 3.62Å; I83-I113 HydrophobicContact CG1-CD1 3.86Å; I83-L129 HydrophobicContact CD1-CD1 4.14Å; I83-L129 HydrophobicContact CD1-CD2 4.3Å; I83-L129 HydrophobicContact CG2-CD2 3.79Å
84R92.1Very high87.9Confident84 Ų8449.7 Ų49.732%0.31725%0.253SS..EExtended strand (participates in β ladder)trans-131.6155.8-177.3-67.4168.3-178.7-108.1-1111S47 T48 R49 F74 T75 E82 G86S47-R84 PolarHBondContact O-NH1 2.92Å; T48-R84 CarbonylContact O-C 3.56Å; T48-R84 WeakPolarHBondContact O-CA 3.37Å; T48-R84 WeakPolarHBondContact O-CB 3.44Å; R49-R84 HydrophobicContact CB-CG 4.47Å; F74-R84 CarbonylContact C-O 3.58Å; F74-R84 WeakPolarHBondContact CA-O 3.44Å; T75-R84 PolarHBondContact N-O 3.41Å; T75-R84 PolarHBondContact O-N 3.39Å; T75-R84 PolarHBondContact OG1-O 2.81Å; E82-R84 IonicContact OE2-CZ 2.72Å; E82-R84 IonicContact OE2-NE 3.63Å; E82-R84 IonicContact OE2-NH2 3.23Å; E82-R84 PolarHBondContact OE2-NH2 2.9Å; R84-G86 PolarHBondContact O-N 2.83Å
85V91.2Very high87.2Confident1 Ų150.3 Ų50.31%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-61.6126.4171.5-177.90000109.4M40 I44 S47 T48 I50 R87M40-V85 HydrophobicContact CE-CG2 3.79Å; M40-V85 HydrophobicContact SD-CG2 4.31Å; I44-V85 HydrophobicContact CG2-CG2 3.99Å; S47-V85 WeakPolarHBondContact CA-O 3.07Å; S47-V85 PolarHBondContact N-O 3.35Å; T48-V85 PolarHBondContact O-N 2.98Å; I50-V85 HydrophobicContact CD1-CG2 3.84Å; I50-V85 HydrophobicContact CG1-CG2 3.89Å; V85-R87 WeakPolarHBondContact CG1-O 3.07Å
86G87.5Confident85.8Confident31 Ų3150.8 Ų50.832%0.3226%0.262SS..  trans-90.7-36.2179.200000113.6F73 R84F73-G86 PolarHBondContact O-N 3.16Å; R84-G86 PolarHBondContact O-N 2.83Å
87R89.4Confident84.1Confident116 Ų11659 Ų5944%0.43830%0.299SS..SBendtrans-147.7166.6172.964.3177.8169.4161.3-6.4110.2T72 F73 V85T72-R87 WeakPolarHBondContact O-CG 3.44Å; T72-R87 PolarHBondContact OG1-NH2 2.8Å; F73-R87 HydrophobicContact CD1-CG 4.09Å; F73-R87 VanDerWaalsContact CE1-CZ 3.48Å; V85-R87 WeakPolarHBondContact CG1-O 3.07Å
88L89.5Confident82.4Confident88 Ų8861.7 Ų61.746%0.46131%0.308SS..  trans-56.1142.3172-161.766.1000110.6E43E43-L88 VanDerWaalsContact OE1-CG 3.25Å; E43-L88 WeakPolarHBondContact OE1-CG 3.28Å; E43-L88 WeakPolarHBondContact OE2-CD2 3.4Å
89I88.7Confident80.8Confident1 Ų164.6 Ų64.61%0.00531%0.314CS..  trans-130.5106.5-173.4-73.5162.3000105.8M40 E42 E43 F73 F74 L94 L109 I133M40-I89 HydrophobicContact CE-CD1 3.77Å; M40-I89 HydrophobicContact SD-CD1 3.94Å; E42-I89 WeakPolarHBondContact CA-O 3.27Å; E42-I89 VanDerWaalsContact CB-O 3.29Å; E42-I89 WeakPolarHBondContact CB-O 3.15Å; E43-I89 PolarHBondContact N-O 2.83Å; F73-I89 HydrophobicContact CB-CD1 4.22Å; F73-I89 HydrophobicContact CD1-CD1 4.34Å; F73-I89 HydrophobicContact CD1-CG1 3.82Å; F74-I89 HydrophobicContact CE1-CD1 3.86Å; F74-I89 HydrophobicContact CZ-CD1 4.32Å; I89-L94 HydrophobicContact CB-CD1 4.26Å; I89-L94 HydrophobicContact CG1-CD1 4.41Å; I89-L94 HydrophobicContact CG2-CD1 3.86Å; I89-L109 HydrophobicContact CD1-CD1 4.05Å; I89-L109 HydrophobicContact CG1-CD1 4.22Å; I89-L109 HydrophobicContact CG2-CD1 3.99Å; I89-I133 HydrophobicContact CG2-CD1 4.09Å; I89-I133 HydrophobicContact CG2-CG1 4.18Å; I89-I133 HydrophobicContact CG2-CG2 4.03Å
90D89.8Confident79.4Confident44 Ų4466.9 Ų66.924%0.23532%0.322CS..  trans-103.4126.8172.110553.4000107.8R93 L94D90-R93 VanDerWaalsContact CG-CB 3.41Å; D90-R93 WeakPolarHBondContact OD1-CB 3.34Å; D90-R93 PolarHBondContact OD1-N 2.92Å; D90-R93 VanDerWaalsContact OD2-CB 3.28Å; D90-R93 WeakPolarHBondContact OD2-CB 3.34Å; D90-R93 WeakPolarHBondContact OD2-CD 3.46Å; D90-R93 IonicContact OD2-NH1 3.15Å; D90-L94 VanDerWaalsContact O-CB 3.24Å; D90-L94 WeakPolarHBondContact O-CB 3.04Å; D90-L94 VanDerWaalsContact O-CD1 3.29Å; D90-L94 WeakPolarHBondContact O-CD1 3.45Å; D90-L94 WeakPolarHBondContact O-CG 3.47Å; D90-L94 PolarHBondContact O-N 3.13Å
91R87.2Confident78Confident9 Ų970 Ų703%0.03435%0.345CS..Hα-helixtrans-84.6-34.3-162.9-171.6-156.864.471.3-1.8111.6E42 R93 L94 C95 C107 I133 D135E42-R91 HydrophobicContact CB-CB 4.19Å; E42-R91 HydrophobicContact CG-CB 4.47Å; E42-R91 WeakPolarHBondContact OE1-CB 3.24Å; E42-R91 WeakPolarHBondContact OE1-CD 3.29Å; E42-R91 IonicContact OE1-NE 2.72Å; E42-R91 PolarHBondContact OE1-NE 2.86Å; E42-R91 WeakPolarHBondContact OE2-CA 3.29Å; E42-R91 WeakPolarHBondContact OE2-CB 3.44Å; E42-R91 PolarHBondContact OE2-N 2.79Å; R91-R93 VanDerWaalsContact C-N 3.27Å; R91-R93 PolarHBondContact O-N 3.17Å; R91-L94 PolarHBondContact O-N 3.34Å; R91-C95 WeakPolarHBondContact O-CB 3.33Å; R91-C95 PolarHBondContact O-N 2.54Å; R91-C107 HydrophobicContact CG-CB 3.88Å; R91-I133 HydrophobicContact CB-CG2 4.12Å; R91-I133 HydrophobicContact CG-CB 4.41Å; R91-I133 HydrophobicContact CG-CG2 4Å; R91-D135 IonicContact CZ-OD1 3.59Å; R91-D135 IonicContact NE-OD1 2.69Å; R91-D135 PolarHBondContact NE-OD1 2.84Å; R91-D135 IonicContact NH2-OD1 2.7Å; R91-D135 PolarHBondContact NH2-OD1 2.57Å
92E85.9Confident76.4Confident39 Ų3975.1 Ų75.118%0.18238%0.38CS..Hα-helixtrans-61.3-39.8178.9-68.257.1-115.300110.2A170E92-A170 HydrophobicContact CG-CB 4.05Å
93R85.3Confident74.7Confident195 Ų19577 Ų7774%0.73641%0.408SS*.Hα-helixtrans-82.3-29.3178.3-170.3-176.6-173.7166.34.8114D90 R91 P96D90-R93 VanDerWaalsContact CG-CB 3.41Å; D90-R93 WeakPolarHBondContact OD1-CB 3.34Å; D90-R93 PolarHBondContact OD1-N 2.92Å; D90-R93 VanDerWaalsContact OD2-CB 3.28Å; D90-R93 WeakPolarHBondContact OD2-CB 3.34Å; D90-R93 WeakPolarHBondContact OD2-CD 3.46Å; D90-R93 IonicContact OD2-NH1 3.15Å; R91-R93 VanDerWaalsContact C-N 3.27Å; R91-R93 PolarHBondContact O-N 3.17Å; R93-P96 WeakPolarHBondContact O-CD 3.23Å
94L80.9Confident73Confident58 Ų5880.6 Ų80.630%0.30443%0.43SS..Hα-helixtrans-91.1-24.3-177.3-69174.3000114F73 I89 D90 R91F73-L94 HydrophobicContact CD1-CD1 4.34Å; F73-L94 HydrophobicContact CE1-CD1 3.56Å; F73-L94 HydrophobicContact CE1-CD2 3.79Å; F73-L94 HydrophobicContact CE1-CG 4.35Å; F73-L94 HydrophobicContact CZ-CD1 4.14Å; F73-L94 HydrophobicContact CZ-CD2 3.66Å; I89-L94 HydrophobicContact CB-CD1 4.26Å; I89-L94 HydrophobicContact CG1-CD1 4.41Å; I89-L94 HydrophobicContact CG2-CD1 3.86Å; D90-L94 VanDerWaalsContact O-CB 3.24Å; D90-L94 WeakPolarHBondContact O-CB 3.04Å; D90-L94 VanDerWaalsContact O-CD1 3.29Å; D90-L94 WeakPolarHBondContact O-CD1 3.45Å; D90-L94 WeakPolarHBondContact O-CG 3.47Å; D90-L94 PolarHBondContact O-N 3.13Å; R91-L94 PolarHBondContact O-N 3.34Å
95C76.5Confident71.7Confident13 Ų1380.4 Ų80.49%0.08844%0.435CS..  trans-121.141.2178.5-76.70000115R91 E97 F98 C107R91-C95 WeakPolarHBondContact O-CB 3.33Å; R91-C95 PolarHBondContact O-N 2.54Å; C95-E97 PolarHBondContact O-N 3.45Å; C95-F98 HydrophobicContact CB-CD2 4.32Å; C95-F98 PolarHBondContact O-N 2.68Å; C95-C107 HydrophobicContact CB-CB 3.68Å; C95-C107 WeakPolarHBondContact CB-SG 2.74Å; C95-C107 WeakPolarHBondContact SG-CA 3.23Å; C95-C107 WeakPolarHBondContact SG-CB 3.45Å; C95-C107 CovalentContact SG-SG 2.03Å; C95-C107 PolarHBondContact SG-SG 3.22Å
96P62.1Low70.8Confident77 Ų7783.5 Ų83.550%0.545%0.454SS..G310 helixtrans-65.4-24.1179.429.9-36.4000113R93 F98 K99R93-P96 WeakPolarHBondContact O-CD 3.23Å; P96-F98 VanDerWaalsContact C-N 3.26Å; P96-F98 PolarHBondContact O-N 2.65Å; P96-K99 PolarHBondContact O-N 2.98Å
97E54.4Low70.5Confident189 Ų18982.1 Ų82.188%0.88344%0.439SS*.G310 helixtrans-75.3-8.2-178.5-62.1-168.3147.500114.2C95 K99C95-E97 PolarHBondContact O-N 3.45Å; E97-K99 VanDerWaalsContact C-N 3.35Å
98F51.7Low70.4Confident96 Ų9679.3 Ų79.342%0.42143%0.431SS..G310 helixtrans-89.85.7175.1-75.4-81.7000113.8C95 P96 L100C95-F98 HydrophobicContact CB-CD2 4.32Å; C95-F98 PolarHBondContact O-N 2.68Å; P96-F98 VanDerWaalsContact C-N 3.26Å; P96-F98 PolarHBondContact O-N 2.65Å; F98-L100 PolarHBondContact O-N 2.95Å
99K51.5Low70.3Confident114 Ų11476 Ų7650%0.49641%0.414SS..SBendtrans-69.8100.3177.5-115.4168.2178163.10112.4P96 E97 I172P96-K99 PolarHBondContact O-N 2.98Å; E97-K99 VanDerWaalsContact C-N 3.35Å; K99-I172 HydrophobicContact CG-CD1 4.49Å
100L53.1Low70.3Confident152 Ų15281.9 Ų81.980%0.79644%0.439SS*.SBendtrans81.822.9138.5-130.776.5000121.2F98F98-L100 PolarHBondContact O-N 2.95Å
101C53Low70.2Confident124 Ų12480 Ų8084%0.83843%0.429SS*.SBendtrans-108.2-26.9174.5-75.20000116.8
102C51.9Low70.3Confident109 Ų10980.8 Ų80.874%0.73644%0.436SS*.SBendtrans-135.18.3-165-64.90000116.2V104C102-V104 PolarHBondContact O-N 2.82Å; C102-V104 VanDerWaalsContact O-N 3.17Å
103G54.7Low70.3Confident75 Ų7579 Ų7977%0.77343%0.428SS*.SBendtrans67.710-179.500000115.6
104V56.3Low70.3Confident77 Ų7773 Ų7347%0.46741%0.408SS..  trans-95.498.2177.1178.60000108.8C102 T106C102-V104 PolarHBondContact O-N 2.82Å; C102-V104 VanDerWaalsContact O-N 3.17Å; V104-T106 VanDerWaalsContact C-N 3.26Å; V104-T106 VanDerWaalsContact CG1-OG1 3.23Å; V104-T106 WeakPolarHBondContact CG1-OG1 3.5Å; V104-T106 PolarHBondContact O-N 3.14Å
105I65.5Low70.5Confident80 Ų8070.2 Ų70.241%0.4139%0.393SS..  trans-83-2.9-175.2-51.7177.6000111.6C107 I172 P174I105-C107 PolarHBondContact O-N 2.8Å; I105-I172 HydrophobicContact CG2-CG1 4.35Å; I105-I172 HydrophobicContact CG2-CG2 3.6Å; I105-P174 HydrophobicContact CD1-CG 4.26Å
106T71.3Confident70.6Confident66 Ų6671 Ų7141%0.40540%0.398SS..  trans-77.8106.3-169.159.40000113.6V104 E108V104-T106 VanDerWaalsContact C-N 3.26Å; V104-T106 VanDerWaalsContact CG1-OG1 3.23Å; V104-T106 WeakPolarHBondContact CG1-OG1 3.5Å; V104-T106 PolarHBondContact O-N 3.14Å; T106-E108 PolarHBondContact O-N 3.22Å
107C82.9Confident71.1Confident3 Ų369.2 Ų69.22%0.0238%0.384CS..EExtended strand (participates in β ladder)trans-76.5109163.7-177.80000109.9R91 C95 I105 E132 I133R91-C107 HydrophobicContact CG-CB 3.88Å; C95-C107 HydrophobicContact CB-CB 3.68Å; C95-C107 WeakPolarHBondContact CB-SG 2.74Å; C95-C107 WeakPolarHBondContact SG-CA 3.23Å; C95-C107 WeakPolarHBondContact SG-CB 3.45Å; C95-C107 CovalentContact SG-SG 2.03Å; C95-C107 PolarHBondContact SG-SG 3.22Å; I105-C107 PolarHBondContact O-N 2.8Å; C107-E132 CarbonylContact O-C 3.53Å; C107-E132 WeakPolarHBondContact O-CA 3.48Å; C107-I133 HydrophobicContact CB-CB 4.17Å; C107-I133 PolarHBondContact O-N 2.9Å
108E85.9Confident71.6Confident56 Ų5667.5 Ų67.526%0.26237%0.373SS..EExtended strand (participates in β ladder)trans-118.2105.3-177.7-175.6-178.686.400111.5T106 K110 K130 V131T106-E108 PolarHBondContact O-N 3.22Å; E108-K110 WeakPolarHBondContact OE1-CE 3.47Å; E108-K110 IonicContact OE1-NZ 2.96Å; E108-K110 PolarHBondContact OE1-NZ 3.4Å; E108-K130 HydrophobicContact CG-CB 4Å; E108-K130 HydrophobicContact CG-CG 4.18Å; E108-K130 WeakPolarHBondContact OE1-CD 3.49Å; E108-K130 WeakPolarHBondContact OE1-CE 3.34Å; E108-K130 WeakPolarHBondContact OE2-CD 3.3Å; E108-V131 WeakPolarHBondContact CA-O 3.06Å
109L87.7Confident72.3Confident19 Ų1967.2 Ų67.210%0.09939%0.389CS..EExtended strand (participates in β ladder)trans-80.3138.6171.6-65.3-175000110.8F73 F74 I89 K130 V131 I133F73-L109 HydrophobicContact CB-CD1 4.33Å; F73-L109 HydrophobicContact CD1-CD1 4.13Å; F73-L109 HydrophobicContact CD2-CD1 4.37Å; F73-L109 HydrophobicContact CE1-CD1 4.47Å; F73-L109 HydrophobicContact CG-CD1 4.05Å; F74-L109 HydrophobicContact CE2-CB 3.91Å; F74-L109 HydrophobicContact CZ-CB 3.87Å; F74-L109 HydrophobicContact CZ-CD1 4.02Å; I89-L109 HydrophobicContact CD1-CD1 4.05Å; I89-L109 HydrophobicContact CG1-CD1 4.22Å; I89-L109 HydrophobicContact CG2-CD1 3.99Å; L109-K130 CarbonylContact O-C 3.6Å; L109-K130 WeakPolarHBondContact O-CA 3.49Å; L109-V131 PolarHBondContact N-O 3.23Å; L109-V131 PolarHBondContact O-N 2.83Å; L109-I133 HydrophobicContact CD1-CD1 3.98Å; L109-I133 HydrophobicContact CD1-CG1 4.01Å; L109-I133 HydrophobicContact CG-CD1 4.22Å; L109-I133 HydrophobicContact CG-CG1 3.9Å
110K88.7Confident72.9Confident125 Ų12564.4 Ų64.454%0.54339%0.387SS..EExtended strand (participates in β ladder)trans-117.9147.7-175.3-71166.4-174.6164.20112E108 L128 L129 K130E108-K110 WeakPolarHBondContact OE1-CE 3.47Å; E108-K110 IonicContact OE1-NZ 2.96Å; E108-K110 PolarHBondContact OE1-NZ 3.4Å; K110-L128 HydrophobicContact CB-CD1 4.47Å; K110-L129 CarbonylContact C-O 3.56Å; K110-L129 WeakPolarHBondContact CA-O 3.46Å; K110-K130 HydrophobicContact CG-CG 4.17Å
111A88.2Confident73.5Confident3 Ų360 Ų603%0.02538%0.379CS..EExtended strand (participates in β ladder)trans-156.2147.7176.600000111.1D70 F74 L129D70-A111 WeakPolarHBondContact OD1-CA 3.35Å; F74-A111 HydrophobicContact CD2-CB 4.01Å; A111-L129 HydrophobicContact CB-CB 4.23Å; A111-L129 HydrophobicContact CB-CD2 4.31Å; A111-L129 PolarHBondContact N-O 3.07Å; A111-L129 WeakPolarHBondContact O-CA 3.46Å; A111-L129 WeakPolarHBondContact O-CB 3.26Å; A111-L129 PolarHBondContact O-N 2.94Å
112S88.1Confident74.4Confident26 Ų2660.3 Ų60.318%0.18237%0.367CS..EExtended strand (participates in β ladder)trans-90.6135.3168.5-37.90000109.5T69 D70 F114T69-S112 WeakPolarHBondContact CA-O 3.05Å; T69-S112 WeakPolarHBondContact CB-O 3.45Å; T69-S112 PolarHBondContact OG1-O 3.44Å; D70-S112 VanDerWaalsContact CG-N 3.28Å; D70-S112 PolarHBondContact N-O 3.16Å; D70-S112 PolarHBondContact OD1-N 2.88Å; D70-S112 WeakPolarHBondContact OD2-CB 3.46Å; D70-S112 PolarHBondContact OD2-N 2.92Å; D70-S112 VanDerWaalsContact OD2-N 3.12Å; D70-S112 PolarHBondContact OD2-OG 2.78Å; S112-F114 VanDerWaalsContact CB-CE1 3.49Å; S112-F114 VanDerWaalsContact CB-CZ 3.5Å
113I87.3Confident75.5Confident1 Ų161.4 Ų61.41%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-112110.5166.5-58.3175.5000107.9V53 L68 V76 I83 V127 L129V53-I113 HydrophobicContact CB-CD1 4.09Å; V53-I113 HydrophobicContact CB-CG2 4.38Å; V53-I113 HydrophobicContact CG1-CG2 4.31Å; V53-I113 HydrophobicContact CG2-CB 4.29Å; V53-I113 HydrophobicContact CG2-CD1 3.98Å; V53-I113 HydrophobicContact CG2-CG2 3.99Å; L68-I113 CarbonylContact O-C 3.58Å; L68-I113 VanDerWaalsContact O-CA 3.27Å; L68-I113 WeakPolarHBondContact O-CA 3.5Å; L68-I113 WeakPolarHBondContact O-CG2 3.37Å; V76-I113 HydrophobicContact CG1-CG2 4.37Å; V76-I113 HydrophobicContact CG2-CD1 4.5Å; V76-I113 HydrophobicContact CG2-CG2 4.26Å; I83-I113 HydrophobicContact CD1-CD1 3.62Å; I83-I113 HydrophobicContact CG1-CD1 3.86Å; I113-V127 HydrophobicContact CB-CB 4.3Å; I113-V127 PolarHBondContact N-O 2.67Å; I113-V127 PolarHBondContact O-N 2.83Å; I113-L129 HydrophobicContact CD1-CB 4.03Å; I113-L129 HydrophobicContact CD1-CD2 4.16Å; I113-L129 HydrophobicContact CG1-CB 4.27Å
114F85.1Confident76.4Confident70 Ų7059.8 Ų59.831%0.30734%0.339SS..EExtended strand (participates in β ladder)trans-86.3136.9178.7-48.5-60.1000110.5L68 D70 S112 F123L68-F114 HydrophobicContact CB-CB 4.41Å; L68-F114 PolarHBondContact N-O 3.12Å; L68-F114 PolarHBondContact O-N 2.8Å; D70-F114 HydrophobicContact CB-CE2 4.17Å; D70-F114 HydrophobicContact CB-CZ 4.42Å; S112-F114 VanDerWaalsContact CB-CE1 3.49Å; S112-F114 VanDerWaalsContact CB-CZ 3.5Å; F114-F123 HydrophobicContact CB-CE2 4.41Å; F114-F123 HydrophobicContact CD1-CE2 4.05Å
115V84Confident77.5Confident0 Ų056.7 Ų56.70%032%0.322CS..EExtended strand (participates in β ladder)trans-116.1123.1-178.8-170.30000108.7L57 M65 F67 A124 A125 V127L57-V115 HydrophobicContact CD1-CG2 4.28Å; L57-V115 HydrophobicContact CD2-CG2 4.04Å; M65-V115 HydrophobicContact CB-CG1 3.62Å; M65-V115 HydrophobicContact CG-CG1 4.08Å; M65-V115 HydrophobicContact SD-CG1 3.51Å; M65-V115 VanDerWaalsContact SD-CG1 3.51Å; F67-V115 HydrophobicContact CD1-CG1 4.26Å; F67-V115 HydrophobicContact CD1-CG2 4.05Å; F67-V115 HydrophobicContact CE1-CG1 3.88Å; F67-V115 HydrophobicContact CE1-CG2 4.07Å; V115-A124 HydrophobicContact CG1-CB 4.44Å; V115-A124 WeakPolarHBondContact O-CB 3.12Å; V115-A124 PolarHBondContact O-N 2.87Å; V115-A125 HydrophobicContact CB-CB 4.25Å; V115-A125 HydrophobicContact CG2-CB 4.28Å; V115-A125 PolarHBondContact N-O 2.79Å; V115-A125 PolarHBondContact O-N 3.16Å; V115-V127 HydrophobicContact CG2-CG2 4.38Å
116T80.2Confident78.3Confident30 Ų3054 Ų5418%0.18431%0.31CS..EExtended strand (participates in β ladder)trans-123.6148.3-179.261.90000112.6M65 H66 K118 E122M65-T116 CarbonylContact C-O 3.46Å; M65-T116 WeakPolarHBondContact CA-O 3.49Å; M65-T116 WeakPolarHBondContact CB-O 3.46Å; H66-T116 PolarHBondContact N-O 2.85Å; H66-T116 PolarHBondContact O-N 3.03Å; T116-K118 PolarHBondContact O-N 3.32Å; T116-E122 CarbonylContact C-O 3.39Å; T116-E122 WeakPolarHBondContact CA-O 3.34Å
117N71.7Confident79Confident38 Ų3850.8 Ų50.820%0.20329%0.29CS..EExtended strand (participates in β ladder)trans-72.8120.2178.7-179.8-15.6000110.6A119 A120 G121 E122N117-A119 PolarHBondContact O-N 3.24Å; N117-A119 VanDerWaalsContact O-N 3.16Å; N117-A119 PolarHBondContact OD1-N 3.25Å; N117-A120 HydrophobicContact CB-CB 4.31Å; N117-A120 PolarHBondContact O-N 2.81Å; N117-G121 PolarHBondContact O-N 3.42Å; N117-E122 HydrophobicContact CB-CB 4.44Å; N117-E122 PolarHBondContact N-O 2.93Å
118K65.8Low79.3Confident153 Ų15352.3 Ų52.367%0.66530%0.298SS*.THydrogen-bonded Turntrans-65.5-18.7-176.1-168174.7-179.9-179.70114.1Q64 T116Q64-K118 VanDerWaalsContact O-CB 3.26Å; Q64-K118 WeakPolarHBondContact O-CB 3.47Å; Q64-K118 PolarHBondContact O-N 2.99Å; T116-K118 PolarHBondContact O-N 3.32Å
119A64.6Low79.5Confident90 Ų9049.7 Ų49.774%0.74429%0.286SS*.THydrogen-bonded Turntrans-98.9-26179.800000114.1N117N117-A119 PolarHBondContact O-N 3.24Å; N117-A119 VanDerWaalsContact O-N 3.16Å; N117-A119 PolarHBondContact OD1-N 3.25Å
120A65.1Low79.7Confident56 Ų5650.1 Ų50.146%0.46329%0.287SS..THydrogen-bonded Turntrans-116.4-17.1-172.800000114.4N117 E122N117-A120 HydrophobicContact CB-CB 4.31Å; N117-A120 PolarHBondContact O-N 2.81Å; A120-E122 HydrophobicContact CB-CB 4.27Å; A120-E122 HydrophobicContact CB-CG 3.8Å; A120-E122 PolarHBondContact O-N 2.85Å
121G66.4Low79.8Confident60 Ų6044.1 Ų44.162%0.61926%0.261SS*.  trans73.3-6.2-171.100000114.4N117N117-G121 PolarHBondContact O-N 3.42Å
122E70.7Confident79.9Confident129 Ų12946.5 Ų46.560%0.60327%0.272SS*.  trans-62.5141.5-179.8-65.9172.3150.800112.4T116 N117 A120T116-E122 CarbonylContact C-O 3.39Å; T116-E122 WeakPolarHBondContact CA-O 3.34Å; N117-E122 HydrophobicContact CB-CB 4.44Å; N117-E122 PolarHBondContact N-O 2.93Å; A120-E122 HydrophobicContact CB-CB 4.27Å; A120-E122 HydrophobicContact CB-CG 3.8Å; A120-E122 PolarHBondContact O-N 2.85Å
123F75.9Confident80Confident133 Ų13345.6 Ų45.658%0.58327%0.265SS*.EExtended strand (participates in β ladder)trans-70.2126.6171.9176.6-91.3000110.3F114F114-F123 HydrophobicContact CB-CE2 4.41Å; F114-F123 HydrophobicContact CD1-CE2 4.05Å
124A73.8Confident80Confident41 Ų4149.7 Ų49.734%0.33928%0.284SS..EExtended strand (participates in β ladder)trans-107.6-38.1-17600000113.3M65 V115M65-A124 HydrophobicContact CE-CB 3.98Å; M65-A124 HydrophobicContact SD-CB 3.7Å; V115-A124 HydrophobicContact CG1-CB 4.44Å; V115-A124 WeakPolarHBondContact O-CB 3.12Å; V115-A124 PolarHBondContact O-N 2.87Å
125A78.4Confident80.1Confident12 Ų1247 Ų4710%0.09927%0.273CS..EExtended strand (participates in β ladder)trans-163.3157.4177.100000112.8I34 L61 V115I34-A125 HydrophobicContact CD1-CB 4.21Å; L61-A125 HydrophobicContact CD1-CB 4.2Å; V115-A125 HydrophobicContact CB-CB 4.25Å; V115-A125 HydrophobicContact CG2-CB 4.28Å; V115-A125 PolarHBondContact N-O 2.79Å; V115-A125 PolarHBondContact O-N 3.16Å
126S82.5Confident80.4Confident22 Ų2250 Ų5015%0.15429%0.286CS..EExtended strand (participates in β ladder)trans-100.4144.4153.8-172.90000108.9E33E33-S126 VanDerWaalsContact OE1-CB 3.3Å; E33-S126 WeakPolarHBondContact OE1-CB 3.43Å; E33-S126 PolarHBondContact OE1-OG 3.21Å
127V86.2Confident80.9Confident0 Ų051.1 Ų51.10%029%0.291CS..EExtended strand (participates in β ladder)trans-123.7117.4167-179.50000108.6I34 L36 V53 L57 I113 V115 L129I34-V127 HydrophobicContact CB-CG2 4.11Å; I34-V127 HydrophobicContact CG2-CG1 4.21Å; I34-V127 HydrophobicContact CG2-CG2 4.08Å; I34-V127 CarbonylContact O-C 3.53Å; I34-V127 WeakPolarHBondContact O-CA 3.11Å; I34-V127 VanDerWaalsContact O-CG1 3.29Å; I34-V127 WeakPolarHBondContact O-CG1 3.43Å; L36-V127 HydrophobicContact CB-CG1 3.79Å; V53-V127 HydrophobicContact CG2-CB 3.95Å; V53-V127 HydrophobicContact CG2-CG1 3.87Å; V53-V127 HydrophobicContact CG2-CG2 3.88Å; L57-V127 HydrophobicContact CD2-CG2 3.76Å; L57-V127 HydrophobicContact CG-CG2 4.37Å; I113-V127 HydrophobicContact CB-CB 4.3Å; I113-V127 PolarHBondContact N-O 2.67Å; I113-V127 PolarHBondContact O-N 2.83Å; V115-V127 HydrophobicContact CG2-CG2 4.38Å; V127-L129 PolarHBondContact O-N 3.19Å; V127-L129 VanDerWaalsContact O-N 3.16Å
128L88.9Confident81.7Confident34 Ų3453.7 Ų53.718%0.17831%0.305CS..EExtended strand (participates in β ladder)trans-75.3100.4172.7-178.860.7000109.6E33 I34 L36 K110 K130E33-L128 HydrophobicContact CG-CB 3.91Å; I34-L128 PolarHBondContact O-N 3.01Å; L36-L128 PolarHBondContact N-O 3.25Å; K110-L128 HydrophobicContact CB-CD1 4.47Å; L128-K130 HydrophobicContact CG-CG 4.39Å
129L91Very high82.8Confident1 Ų148.7 Ų48.71%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-73.9124.7167.5172.963.1000109.4L36 L38 F74 I83 K110 A111 I113 V127 V131L36-L129 HydrophobicContact CD2-CD1 4.21Å; L36-L129 HydrophobicContact CG-CD1 4.12Å; L36-L129 WeakPolarHBondContact O-CA 3.4Å; L38-L129 HydrophobicContact CB-CD1 4.49Å; L38-L129 HydrophobicContact CD1-CD1 3.79Å; L38-L129 HydrophobicContact CG-CD1 3.99Å; F74-L129 HydrophobicContact CB-CD2 4.12Å; F74-L129 HydrophobicContact CD2-CD2 3.75Å; F74-L129 HydrophobicContact CE2-CD2 4.46Å; F74-L129 HydrophobicContact CG-CD2 3.96Å; I83-L129 HydrophobicContact CD1-CD1 4.14Å; I83-L129 HydrophobicContact CD1-CD2 4.3Å; I83-L129 HydrophobicContact CG2-CD2 3.79Å; K110-L129 CarbonylContact C-O 3.56Å; K110-L129 WeakPolarHBondContact CA-O 3.46Å; A111-L129 HydrophobicContact CB-CB 4.23Å; A111-L129 HydrophobicContact CB-CD2 4.31Å; A111-L129 PolarHBondContact N-O 3.07Å; A111-L129 WeakPolarHBondContact O-CA 3.46Å; A111-L129 WeakPolarHBondContact O-CB 3.26Å; A111-L129 PolarHBondContact O-N 2.94Å; I113-L129 HydrophobicContact CD1-CB 4.03Å; I113-L129 HydrophobicContact CD1-CD2 4.16Å; I113-L129 HydrophobicContact CG1-CB 4.27Å; V127-L129 PolarHBondContact O-N 3.19Å; V127-L129 VanDerWaalsContact O-N 3.16Å; L129-V131 HydrophobicContact CD1-CG2 3.74Å; L129-V131 HydrophobicContact CD2-CG2 3.99Å; L129-V131 HydrophobicContact CG-CG2 3.76Å
130K91.2Very high84.1Confident28 Ų2850.2 Ų50.212%0.12227%0.272CS..EExtended strand (participates in β ladder)trans-115.3128.1167.8-74.1170171.7-176.10108.5E35 L36 R37 L38 E108 L109 K110 L128E35-K130 HydrophobicContact CG-CD 3.87Å; E35-K130 IonicContact OE1-NZ 3.1Å; E35-K130 PolarHBondContact OE1-NZ 2.7Å; E35-K130 WeakPolarHBondContact OE2-CE 3.32Å; E35-K130 IonicContact OE2-NZ 3.19Å; E35-K130 PolarHBondContact OE2-NZ 2.74Å; L36-K130 PolarHBondContact O-N 3.42Å; R37-K130 CarbonylContact C-O 3.46Å; R37-K130 WeakPolarHBondContact CA-O 3.25Å; R37-K130 HydrophobicContact CG-CB 4.3Å; L38-K130 PolarHBondContact N-O 2.73Å; E108-K130 HydrophobicContact CG-CB 4Å; E108-K130 HydrophobicContact CG-CG 4.18Å; E108-K130 WeakPolarHBondContact OE1-CD 3.49Å; E108-K130 WeakPolarHBondContact OE1-CE 3.34Å; E108-K130 WeakPolarHBondContact OE2-CD 3.3Å; L109-K130 CarbonylContact O-C 3.6Å; L109-K130 WeakPolarHBondContact O-CA 3.49Å; K110-K130 HydrophobicContact CG-CG 4.17Å; L128-K130 HydrophobicContact CG-CG 4.39Å
131V90.8Very high85.4Confident0 Ų047.5 Ų47.50%025%0.25CS..EExtended strand (participates in β ladder)trans-123.4112176.7-166.90000108.9L38 M40 I50 F74 E108 L109 L129 I133L38-V131 HydrophobicContact CB-CG1 4.43Å; L38-V131 HydrophobicContact CB-CG2 4.4Å; L38-V131 WeakPolarHBondContact O-CA 2.93Å; M40-V131 HydrophobicContact CB-CG1 4.35Å; M40-V131 HydrophobicContact CG-CG1 3.66Å; M40-V131 HydrophobicContact SD-CG1 3.96Å; I50-V131 HydrophobicContact CG2-CG1 4.47Å; F74-V131 HydrophobicContact CD1-CG2 4.38Å; F74-V131 HydrophobicContact CD2-CG2 4.15Å; F74-V131 HydrophobicContact CE1-CB 4.14Å; F74-V131 HydrophobicContact CE1-CG1 4.24Å; F74-V131 HydrophobicContact CE1-CG2 3.83Å; F74-V131 HydrophobicContact CE2-CB 4.06Å; F74-V131 HydrophobicContact CE2-CG2 3.56Å; F74-V131 HydrophobicContact CZ-CB 3.55Å; F74-V131 HydrophobicContact CZ-CG1 4.09Å; F74-V131 HydrophobicContact CZ-CG2 3.4Å; E108-V131 WeakPolarHBondContact CA-O 3.06Å; L109-V131 PolarHBondContact N-O 3.23Å; L109-V131 PolarHBondContact O-N 2.83Å; L129-V131 HydrophobicContact CD1-CG2 3.74Å; L129-V131 HydrophobicContact CD2-CG2 3.99Å; L129-V131 HydrophobicContact CG-CG2 3.76Å; V131-I133 HydrophobicContact CB-CD1 4.41Å; V131-I133 HydrophobicContact CG1-CD1 3.98Å
132E89.6Confident86.6Confident53 Ų5348 Ų4825%0.24824%0.241CC..EExtended strand (participates in β ladder)trans-76.6120.3172.8-175.6-178.1168.500108.6L38 R39 M40 C107L38-E132 PolarHBondContact O-N 3.2Å; R39-E132 WeakPolarHBondContact CA-O 3.41Å; R39-E132 HydrophobicContact CG-CB 4.2Å; R39-E132 IonicContact CZ-OE1 3.62Å; R39-E132 IonicContact CZ-OE2 3.96Å; R39-E132 IonicContact NE-OE1 3.8Å; R39-E132 IonicContact NE-OE2 2.73Å; R39-E132 PolarHBondContact NE-OE2 3.45Å; R39-E132 IonicContact NH2-OE1 2.79Å; R39-E132 PolarHBondContact NH2-OE1 3.18Å; R39-E132 IonicContact NH2-OE2 3.6Å; R39-E132 PolarHBondContact NH2-OE2 2.72Å; M40-E132 PolarHBondContact N-O 2.71Å; C107-E132 CarbonylContact O-C 3.53Å; C107-E132 WeakPolarHBondContact O-CA 3.48Å
133I90.1Very high87.6Confident7 Ų743.1 Ų43.14%0.03622%0.218CC..EExtended strand (participates in β ladder)trans-93.9119.1-180-48.8-53.8000108.3M40 E42 I89 R91 C107 L109 V131M40-I133 HydrophobicContact CG-CD1 3.51Å; M40-I133 CarbonylContact O-C 3.58Å; M40-I133 WeakPolarHBondContact O-CA 3.43Å; M40-I133 HydrophobicContact SD-CD1 3.9Å; E42-I133 HydrophobicContact CB-CG2 3.87Å; I89-I133 HydrophobicContact CG2-CD1 4.09Å; I89-I133 HydrophobicContact CG2-CG1 4.18Å; I89-I133 HydrophobicContact CG2-CG2 4.03Å; R91-I133 HydrophobicContact CB-CG2 4.12Å; R91-I133 HydrophobicContact CG-CB 4.41Å; R91-I133 HydrophobicContact CG-CG2 4Å; C107-I133 HydrophobicContact CB-CB 4.17Å; C107-I133 PolarHBondContact O-N 2.9Å; L109-I133 HydrophobicContact CD1-CD1 3.98Å; L109-I133 HydrophobicContact CD1-CG1 4.01Å; L109-I133 HydrophobicContact CG-CD1 4.22Å; L109-I133 HydrophobicContact CG-CG1 3.9Å; V131-I133 HydrophobicContact CB-CD1 4.41Å; V131-I133 HydrophobicContact CG1-CD1 3.98Å
134Q87.8Confident88.1Confident87 Ų8741.5 Ų41.541%0.40722%0.223SC..EExtended strand (participates in β ladder)trans-87.2125.6178.2-55.6-169.6-90.600110.5M40 R41 E42M40-Q134 PolarHBondContact O-N 2.87Å; R41-Q134 HydrophobicContact CG-CB 4.23Å; E42-Q134 PolarHBondContact N-O 2.92Å
135D88.4Confident88.8Confident14 Ų1441.9 Ų41.98%0.07523%0.226CC..PPolyproline II helixtrans-48.3136.6169.2-166.684000111.6E42 R91 I172 D173 N176E42-D135 WeakPolarHBondContact OE1-CA 3.27Å; R91-D135 IonicContact CZ-OD1 3.59Å; R91-D135 IonicContact NE-OD1 2.69Å; R91-D135 PolarHBondContact NE-OD1 2.84Å; R91-D135 IonicContact NH2-OD1 2.7Å; R91-D135 PolarHBondContact NH2-OD1 2.57Å; D135-I172 HydrophobicContact CB-CG2 4.45Å; D135-I172 WeakPolarHBondContact OD1-CG2 3.45Å; D135-I172 PolarHBondContact OD1-N 2.78Å; D135-D173 HydrophobicContact CB-CB 3.95Å; D135-D173 WeakPolarHBondContact OD2-CB 3.43Å; D135-D173 PolarHBondContact OD2-N 3.39Å; D135-D173 VanDerWaalsContact OD2-N 3.14Å; D135-N176 PolarHBondContact OD2-ND2 2.89Å
136Q88.7Confident89.3Confident62 Ų6249.7 Ų49.729%0.2926%0.261SS..  trans-122.2145.3167.2-62.4-66-102.100109.5R41 E42 D138R41-Q136 HydrophobicContact CB-CG 4.13Å; R41-Q136 HydrophobicContact CG-CG 4.47Å; E42-Q136 HydrophobicContact CG-CB 4.18Å; E42-Q136 HydrophobicContact CG-CG 3.96Å; E42-Q136 PolarHBondContact OE1-N 2.88Å; Q136-D138 PolarHBondContact O-N 3.1Å
137N90.8Very high89.8Confident54 Ų5451.6 Ų51.629%0.28927%0.274SS..SBendtrans-72.495.8171.4177.1-111.9000110.3D171 N176 D224N137-D171 VanDerWaalsContact CA-OD2 3.25Å; N137-D171 WeakPolarHBondContact CA-OD2 3.44Å; N137-D171 PolarHBondContact ND2-OD2 3.15Å; N137-N176 HydrophobicContact CB-CB 3.99Å; N137-N176 PolarHBondContact N-ND2 2.8Å; N137-N176 PolarHBondContact ND2-O 2.99Å; N137-D224 PolarHBondContact ND2-OD2 2.9Å
138D89.5Confident90Very high91 Ų9152.9 Ų52.949%0.48728%0.28SS..  trans-128.6-7.7167.675.5-2.4000114.3Q136Q136-D138 PolarHBondContact O-N 3.1Å
139N89.3Confident90.2Very high49 Ų4954.6 Ų54.626%0.26229%0.292SS..SBendtrans-105.172.4178.9-53.8-87.5000114.1A170 D171N139-A170 HydrophobicContact CB-CB 3.59Å; N139-D171 WeakPolarHBondContact CB-OD1 3.25Å; N139-D171 PolarHBondContact N-OD1 2.61Å; N139-D171 VanDerWaalsContact N-OD1 3.1Å; N139-D171 PolarHBondContact ND2-OD1 3.02Å
140R91.7Very high90.1Very high121 Ų12155.2 Ų55.246%0.45730%0.296SS..  trans-41.2151175.273-166.6-47.4-66.2-11.8114.7D224 A227 C228 T229R140-D224 WeakPolarHBondContact CA-OD2 3.24Å; R140-A227 HydrophobicContact CB-CB 3.62Å; R140-C228 PolarHBondContact NH2-O 2.9Å; R140-T229 PolarHBondContact NH1-OG1 3.22Å
141P92.5Very high90.2Very high0 Ų057.8 Ų57.80%031%0.314CS..  trans-65.4148.1-172.2-19.834.6000111.9A167 I178 A222 D224 T229P141-A167 HydrophobicContact CB-CB 4.45Å; P141-I178 HydrophobicContact CB-CD1 4.03Å; P141-I178 HydrophobicContact CB-CG1 4.07Å; P141-I178 HydrophobicContact CG-CG1 4.13Å; P141-A222 HydrophobicContact CB-CB 4.24Å; P141-D224 WeakPolarHBondContact CD-OD2 3.18Å; P141-D224 HydrophobicContact CG-CB 3.89Å; P141-T229 WeakPolarHBondContact O-CB 3.22Å; P141-T229 WeakPolarHBondContact O-CG2 3.35Å; P141-T229 PolarHBondContact O-OG1 2.8Å
142T91.4Very high90.3Very high71 Ų7158.5 Ų58.544%0.43632%0.318SS..BIsolated β-bridgetrans-131.5133.4-175.152.40000111.9A167 T168T142-A167 CarbonylContact O-C 3.53Å; T142-A167 VanDerWaalsContact O-CA 3.24Å; T142-A167 WeakPolarHBondContact O-CA 3.49Å; T142-A167 WeakPolarHBondContact O-CB 3.39Å; T142-T168 PolarHBondContact N-O 3.45Å; T142-T168 PolarHBondContact O-N 3.11Å; T142-T168 PolarHBondContact O-OG1 3.34Å; T142-T168 PolarHBondContact OG1-O 3.32Å; T142-T168 PolarHBondContact OG1-OG1 3.23Å; T142-T168 VanDerWaalsContact OG1-OG1 3.08Å
143F91.7Very high90.5Very high25 Ų2557.2 Ų57.211%0.1131%0.314CS..  trans-94.5147.9165.5-68.6-78.4000109.7A145 A167 Y181 L220 A222 T229 Q231F143-A145 PolarHBondContact O-N 2.76Å; F143-A167 HydrophobicContact CD1-CB 3.84Å; F143-A167 HydrophobicContact CD2-CB 4.46Å; F143-A167 HydrophobicContact CE1-CB 3.65Å; F143-A167 HydrophobicContact CE2-CB 4.3Å; F143-A167 HydrophobicContact CG-CB 4.25Å; F143-A167 HydrophobicContact CZ-CB 3.9Å; F143-Y181 HydrophobicContact CE1-CE1 4.46Å; F143-Y181 HydrophobicContact CZ-CE1 4.49Å; F143-L220 HydrophobicContact CD1-CD2 4.47Å; F143-L220 HydrophobicContact CE1-CD2 3.5Å; F143-L220 HydrophobicContact CE1-CG 4.07Å; F143-L220 HydrophobicContact CZ-CB 4.48Å; F143-L220 HydrophobicContact CZ-CD2 3.82Å; F143-L220 HydrophobicContact CZ-CG 3.83Å; F143-A222 HydrophobicContact CE2-CB 4.01Å; F143-A222 HydrophobicContact CZ-CB 3.7Å; F143-T229 HydrophobicContact CD2-CG2 4.01Å; F143-T229 HydrophobicContact CE2-CG2 4.48Å; F143-Q231 HydrophobicContact CB-CB 4.07Å; F143-Q231 HydrophobicContact CB-CG 4.46Å; F143-Q231 HydrophobicContact CD1-CB 4.05Å; F143-Q231 HydrophobicContact CD2-CB 3.6Å; F143-Q231 HydrophobicContact CE1-CB 4.38Å; F143-Q231 HydrophobicContact CE2-CB 3.96Å; F143-Q231 HydrophobicContact CG-CB 3.65Å; F143-Q231 HydrophobicContact CG-CG 4.39Å; F143-Q231 HydrophobicContact CZ-CB 4.34Å
144S86.5Confident90.7Very high100 Ų10057.5 Ų57.570%0.69932%0.316SS*.SBendtrans-66.9-17.4-179.553.30000114.4
145A88.9Confident90.9Very high48 Ų4856.9 Ų56.940%0.39733%0.325SS..SBendtrans-150.5156.6175.600000110.5F143 S147 Q231F143-A145 PolarHBondContact O-N 2.76Å; A145-S147 VanDerWaalsContact C-N 3.26Å; A145-S147 VanDerWaalsContact CB-O 3.3Å; A145-S147 WeakPolarHBondContact CB-O 3.2Å; A145-S147 PolarHBondContact O-N 2.78Å; A145-Q231 PolarHBondContact O-NE2 3.01Å
146Q88.3Confident91.1Very high176 Ų17657.6 Ų57.682%0.82233%0.33SS*.SBendtrans-70.6-22.3177.4-66.6-177.9-2.600113.1Q231 T232Q146-Q231 WeakPolarHBondContact O-CA 3.25Å; Q146-T232 PolarHBondContact O-N 3.47Å
147S92.1Very high91.3Very high62 Ų6259.5 Ų59.543%0.43435%0.346SS..EExtended strand (participates in β ladder)trans-135157.6171.955.60000111.6A145 T232A145-S147 VanDerWaalsContact C-N 3.26Å; A145-S147 VanDerWaalsContact CB-O 3.3Å; A145-S147 WeakPolarHBondContact CB-O 3.2Å; A145-S147 PolarHBondContact O-N 2.78Å; S147-T232 CarbonylContact C-O 3.59Å; S147-T232 WeakPolarHBondContact CA-O 2.94Å; S147-T232 WeakPolarHBondContact CB-O 3.27Å
148Q91.1Very high91.4Very high28 Ų2860.8 Ų60.813%0.13136%0.356CS..EExtended strand (participates in β ladder)trans-133.3125.9166.8169.6173.6-0.600108.9V150 N165 T232 L233 E234Q148-V150 HydrophobicContact CG-CG2 4.27Å; Q148-N165 VanDerWaalsContact OE1-CB 3.26Å; Q148-N165 PolarHBondContact OE1-ND2 2.73Å; Q148-T232 PolarHBondContact N-O 2.92Å; Q148-L233 HydrophobicContact CB-CD2 4.23Å; Q148-L233 HydrophobicContact CG-CD2 4.37Å; Q148-L233 WeakPolarHBondContact O-CA 3.14Å; Q148-E234 PolarHBondContact O-N 2.96Å
149T92.1Very high91.4Very high70 Ų7058.6 Ų58.643%0.42935%0.354SS..EExtended strand (participates in β ladder)trans-86.9142.8169.9-46.80000110.5E234 Q236T149-E234 CarbonylContact C-O 3.53Å; T149-E234 VanDerWaalsContact CA-O 3.26Å; T149-E234 WeakPolarHBondContact CA-O 3.06Å; T149-Q236 HydrophobicContact CG2-CG 3.94Å
150V90.2Very high91.5Very high13 Ų1358.3 Ų58.38%0.07936%0.355CS..EExtended strand (participates in β ladder)trans-133.3130.2176.11780000107.7Q148 L152 I162 I164 L233 E234 I235 Q236Q148-V150 HydrophobicContact CG-CG2 4.27Å; V150-L152 HydrophobicContact CG1-CD2 4.41Å; V150-L152 HydrophobicContact CG1-CG 4.44Å; V150-I162 HydrophobicContact CG1-CG2 3.72Å; V150-I164 HydrophobicContact CG2-CG2 4.01Å; V150-L233 HydrophobicContact CG2-CD2 4.44Å; V150-E234 PolarHBondContact N-O 2.91Å; V150-I235 HydrophobicContact CB-CG1 4.4Å; V150-I235 CarbonylContact O-C 3.57Å; V150-I235 VanDerWaalsContact O-CA 3.31Å; V150-I235 WeakPolarHBondContact O-CA 3.27Å; V150-Q236 PolarHBondContact O-N 3.03Å
151T93.1Very high91.5Very high83 Ų8356.5 Ų56.551%0.50935%0.354SS..EExtended strand (participates in β ladder)trans-107.8136.6177.645.70000111.2Q236 L238T151-Q236 WeakPolarHBondContact CA-O 3.48Å; T151-Q236 HydrophobicContact CG2-CB 4.24Å; T151-L238 HydrophobicContact CG2-CD2 4.39Å
152L93.4Very high91.4Very high14 Ų1457.5 Ų57.57%0.07336%0.359CS..EExtended strand (participates in β ladder)trans-137.2136.7178.4-58.3173.5000109.4V150 I162 F190 L208 I235 Q236 I237 L238V150-L152 HydrophobicContact CG1-CD2 4.41Å; V150-L152 HydrophobicContact CG1-CG 4.44Å; L152-I162 HydrophobicContact CD1-CD1 3.69Å; L152-I162 HydrophobicContact CD2-CD1 3.59Å; L152-I162 HydrophobicContact CD2-CG1 3.82Å; L152-I162 HydrophobicContact CD2-CG2 4.26Å; L152-I162 HydrophobicContact CG-CD1 4.29Å; L152-F190 HydrophobicContact CD1-CE1 3.6Å; L152-F190 HydrophobicContact CD1-CZ 3.92Å; L152-L208 HydrophobicContact CB-CD1 4.14Å; L152-L208 HydrophobicContact CD1-CD1 4.19Å; L152-I235 HydrophobicContact CD1-CG2 3.61Å; L152-I235 HydrophobicContact CG-CG2 4.14Å; L152-Q236 PolarHBondContact N-O 2.88Å; L152-Q236 VanDerWaalsContact N-O 3.08Å; L152-I237 HydrophobicContact CB-CD1 4.39Å; L152-I237 CarbonylContact O-C 3.54Å; L152-I237 WeakPolarHBondContact O-CA 3.36Å; L152-L238 PolarHBondContact O-N 2.96Å
153S93Very high91.2Very high26 Ų2658.5 Ų58.518%0.18237%0.369CS..EExtended strand (participates in β ladder)trans-69.5145.5164.7162.70000109.5A155 T156 E240S153-A155 PolarHBondContact O-N 2.82Å; S153-A155 PolarHBondContact OG-N 3.47Å; S153-T156 PolarHBondContact N-OG1 2.8Å; S153-T156 WeakPolarHBondContact O-CB 3.49Å; S153-T156 PolarHBondContact O-N 2.7Å; S153-T156 PolarHBondContact O-OG1 2.66Å; S153-E240 WeakPolarHBondContact CB-OE1 3.24Å; S153-E240 VanDerWaalsContact OG-CG 3.23Å; S153-E240 WeakPolarHBondContact OG-CG 3.38Å; S153-E240 PolarHBondContact OG-OE1 2.87Å
154E94.9Very high91.1Very high14 Ų1457.9 Ų57.97%0.06537%0.366CS..THydrogen-bonded Turntrans-65.9-26.1174.764.3-159.1118.300113.6T156 L208 D209 R210 I237 L238 D239 E240E154-T156 PolarHBondContact O-N 2.62Å; E154-L208 HydrophobicContact CB-CB 3.95Å; E154-D209 WeakPolarHBondContact OE2-CA 3.47Å; E154-R210 WeakPolarHBondContact OE1-CB 3.29Å; E154-R210 VanDerWaalsContact OE2-CB 3.24Å; E154-R210 WeakPolarHBondContact OE2-CB 3.19Å; E154-R210 PolarHBondContact OE2-N 2.74Å; E154-I237 HydrophobicContact CB-CG2 3.77Å; E154-L238 PolarHBondContact N-O 3.14Å; E154-L238 VanDerWaalsContact N-O 3.08Å; E154-D239 WeakPolarHBondContact OE1-CA 3.22Å; E154-E240 HydrophobicContact CG-CB 4.11Å; E154-E240 HydrophobicContact CG-CG 4.1Å; E154-E240 PolarHBondContact OE1-N 3.45Å
155A91.6Very high91.2Very high73 Ų7357 Ų5760%0.60335%0.354SS*.THydrogen-bonded Turntrans-69.44.9168.800000114S153 T157 E240S153-A155 PolarHBondContact O-N 2.82Å; S153-A155 PolarHBondContact OG-N 3.47Å; A155-T157 PolarHBondContact O-N 3.47Å; A155-E240 HydrophobicContact CB-CG 4.11Å
156T92.6Very high91.2Very high29 Ų2956.4 Ų56.418%0.17835%0.349CS..PPolyproline II helixtrans-62.6122.2173.9-60.30000110.5S153 E154 T160 L204S153-T156 PolarHBondContact N-OG1 2.8Å; S153-T156 WeakPolarHBondContact O-CB 3.49Å; S153-T156 PolarHBondContact O-N 2.7Å; S153-T156 PolarHBondContact O-OG1 2.66Å; E154-T156 PolarHBondContact O-N 2.62Å; T156-T160 HydrophobicContact CG2-CG2 3.8Å; T156-L204 HydrophobicContact CG2-CD2 3.8Å; T156-L204 WeakPolarHBondContact O-CD2 3.36Å
157T92.4Very high91.2Very high103 Ų10348.5 Ų48.563%0.63231%0.314SS*.PPolyproline II helixtrans-69.3140.5-176.251.40000112.7A155 G159 T160A155-T157 PolarHBondContact O-N 3.47Å; T157-G159 PolarHBondContact O-N 3.49Å; T157-T160 VanDerWaalsContact O-CB 3.28Å; T157-T160 WeakPolarHBondContact O-CB 3.2Å; T157-T160 PolarHBondContact O-N 2.85Å; T157-T160 VanDerWaalsContact O-N 3.1Å; T157-T160 PolarHBondContact O-OG1 2.97Å; T157-T160 PolarHBondContact OG1-OG1 2.83Å
158V92.4Very high91.1Very high81 Ų8149.9 Ų49.949%0.49132%0.319SS..THydrogen-bonded Turntrans-56.4135.8172.9-174.60000110.1L204 P207V158-L204 WeakPolarHBondContact CG1-O 3.36Å; V158-P207 HydrophobicContact CG2-CB 4.47Å
159G90.8Very high91.1Very high44 Ų4449.7 Ų49.745%0.45432%0.319SS..THydrogen-bonded Turntrans91.8-3-171.600000114.6T157 L161 L204T157-G159 PolarHBondContact O-N 3.49Å; G159-L161 PolarHBondContact O-N 2.78Å; G159-L204 PolarHBondContact N-O 2.6Å
160T91.6Very high90.8Very high44 Ų4447.9 Ų47.927%0.2731%0.311SS..  trans-61.6132.9173.1-64.50000111.1T156 T157 I162 L204T156-T160 HydrophobicContact CG2-CG2 3.8Å; T157-T160 VanDerWaalsContact O-CB 3.28Å; T157-T160 WeakPolarHBondContact O-CB 3.2Å; T157-T160 PolarHBondContact O-N 2.85Å; T157-T160 VanDerWaalsContact O-N 3.1Å; T157-T160 PolarHBondContact O-OG1 2.97Å; T157-T160 PolarHBondContact OG1-OG1 2.83Å; T160-I162 HydrophobicContact CG2-CG1 4.21Å; T160-L204 PolarHBondContact O-N 2.79Å; T160-L204 VanDerWaalsContact O-N 3.09Å
161L91Very high90.7Very high83 Ų8347.2 Ų47.244%0.43531%0.307SS..EExtended strand (participates in β ladder)trans-102.5122.1177.6-64177.3000110.6G159 D193 L202 E203G159-L161 PolarHBondContact O-N 2.78Å; L161-D193 HydrophobicContact CD2-CB 4.13Å; L161-L202 CarbonylContact C-O 3.6Å; L161-L202 WeakPolarHBondContact CA-O 3.42Å; L161-E203 HydrophobicContact CD2-CB 3.8Å; L161-E203 HydrophobicContact CD2-CG 4.01Å
162I90Very high90Very high21 Ų2144 Ų4411%0.10829%0.287CS..EExtended strand (participates in β ladder)trans-116.2116-169.7-52.2148.2000108.7V150 L152 T160 F190 R201 L202V150-I162 HydrophobicContact CG1-CG2 3.72Å; L152-I162 HydrophobicContact CD1-CD1 3.69Å; L152-I162 HydrophobicContact CD2-CD1 3.59Å; L152-I162 HydrophobicContact CD2-CG1 3.82Å; L152-I162 HydrophobicContact CD2-CG2 4.26Å; L152-I162 HydrophobicContact CG-CD1 4.29Å; T160-I162 HydrophobicContact CG2-CG1 4.21Å; I162-F190 HydrophobicContact CD1-CE1 4.42Å; I162-R201 CarbonylContact O-C 3.51Å; I162-R201 VanDerWaalsContact O-CA 3.24Å; I162-R201 WeakPolarHBondContact O-CA 3.29Å; I162-L202 HydrophobicContact CB-CB 4.31Å; I162-L202 HydrophobicContact CD1-CB 4.35Å; I162-L202 PolarHBondContact N-O 3.22Å; I162-L202 PolarHBondContact O-N 3.29Å
163S87.6Confident89.4Confident92 Ų9246.2 Ų46.264%0.64330%0.299SS*.EExtended strand (participates in β ladder)trans-71.8133.1-179.7-60.60000112.1
164I89.8Confident88.9Confident11 Ų1148.7 Ų48.76%0.05631%0.314CS..EExtended strand (participates in β ladder)trans-123.9161.617650.7167.2000110.8V150 A166 L192 V200 L202 L220 L233V150-I164 HydrophobicContact CG2-CG2 4.01Å; I164-A166 PolarHBondContact O-N 2.82Å; I164-L192 HydrophobicContact CD1-CD1 4.03Å; I164-V200 HydrophobicContact CD1-CG1 3.86Å; I164-V200 HydrophobicContact CG1-CB 4.27Å; I164-V200 HydrophobicContact CG1-CG1 4.03Å; I164-V200 WeakPolarHBondContact CG1-O 3.28Å; I164-V200 PolarHBondContact N-O 2.65Å; I164-V200 VanDerWaalsContact N-O 3.13Å; I164-L202 HydrophobicContact CD1-CD1 4.46Å; I164-L202 HydrophobicContact CD1-CD2 4.28Å; I164-L202 HydrophobicContact CD1-CG 3.97Å; I164-L202 HydrophobicContact CG2-CD1 3.89Å; I164-L202 HydrophobicContact CG2-CG 4.22Å; I164-L220 HydrophobicContact CD1-CD1 4.13Å; I164-L220 HydrophobicContact CD1-CD2 3.92Å; I164-L233 HydrophobicContact CB-CD2 4.48Å; I164-L233 HydrophobicContact CD1-CD1 4.12Å; I164-L233 HydrophobicContact CG2-CD2 4.04Å
165N88.5Confident88.5Confident83 Ų8355.2 Ų55.244%0.44435%0.345SS..PPolyproline II helixtrans-75.1117.3-176.4-64.8-33.4000109.9Q148Q148-N165 VanDerWaalsContact OE1-CB 3.26Å; Q148-N165 PolarHBondContact OE1-ND2 2.73Å
166A88.3Confident88.3Confident35 Ų3553.2 Ų53.229%0.28932%0.324SS..PPolyproline II helixtrans-66.7156.7173.600000111.3I164 V200I164-A166 PolarHBondContact O-N 2.82Å; A166-V200 HydrophobicContact CB-CG2 4.03Å
167A89.8Confident88Confident10 Ų1054.9 Ų54.98%0.08333%0.33CS..PPolyproline II helixtrans-75.8150.6168.400000110.3P141 T142 F143 I178 Y181 A222P141-A167 HydrophobicContact CB-CB 4.45Å; T142-A167 CarbonylContact O-C 3.53Å; T142-A167 VanDerWaalsContact O-CA 3.24Å; T142-A167 WeakPolarHBondContact O-CA 3.49Å; T142-A167 WeakPolarHBondContact O-CB 3.39Å; F143-A167 HydrophobicContact CD1-CB 3.84Å; F143-A167 HydrophobicContact CD2-CB 4.46Å; F143-A167 HydrophobicContact CE1-CB 3.65Å; F143-A167 HydrophobicContact CE2-CB 4.3Å; F143-A167 HydrophobicContact CG-CB 4.25Å; F143-A167 HydrophobicContact CZ-CB 3.9Å; A167-I178 HydrophobicContact CB-CD1 3.77Å; A167-I178 WeakPolarHBondContact O-CD1 3.24Å; A167-Y181 HydrophobicContact CB-CE1 4.04Å; A167-Y181 PolarHBondContact N-OH 3.09Å; A167-Y181 PolarHBondContact O-OH 3.45Å; A167-A222 HydrophobicContact CB-CB 3.54Å
168T88.8Confident87.9Confident90 Ų9051.7 Ų51.755%0.55231%0.309SS*.BIsolated β-bridgetrans-106.5146.5172.946.30000111.3T142T142-T168 PolarHBondContact N-O 3.45Å; T142-T168 PolarHBondContact O-N 3.11Å; T142-T168 PolarHBondContact O-OG1 3.34Å; T142-T168 PolarHBondContact OG1-O 3.32Å; T142-T168 PolarHBondContact OG1-OG1 3.23Å; T142-T168 VanDerWaalsContact OG1-OG1 3.08Å
169D90.2Very high87.6Confident25 Ų2553.2 Ų53.213%0.13431%0.31CS..  trans-131.7144.9-177.1-165.3-34.4000107.4D171 Q177 I178D169-D171 PolarHBondContact OD1-N 2.03Å; D169-D171 VanDerWaalsContact OD1-N 3.16Å; D169-Q177 WeakPolarHBondContact OD2-CA 3.29Å; D169-I178 HydrophobicContact CB-CD1 4.03Å; D169-I178 HydrophobicContact CB-CG1 3.69Å; D169-I178 VanDerWaalsContact OD2-CG1 3.25Å; D169-I178 WeakPolarHBondContact OD2-CG1 3.36Å; D169-I178 PolarHBondContact OD2-N 2.95Å
170A86Confident87.4Confident31 Ų3157.3 Ų57.326%0.25631%0.312SS..  trans-101.5-26.2-176.700000113E92 N139E92-A170 HydrophobicContact CG-CB 4.05Å; N139-A170 HydrophobicContact CB-CB 3.59Å
171D88.8Confident87.4Confident0 Ų056.4 Ų56.40%030%0.304CS..  trans-55.9150.5172.1-58.5-11.8000109.4N137 N139 D169 N176 Q177N137-D171 VanDerWaalsContact CA-OD2 3.25Å; N137-D171 WeakPolarHBondContact CA-OD2 3.44Å; N137-D171 PolarHBondContact ND2-OD2 3.15Å; N139-D171 WeakPolarHBondContact CB-OD1 3.25Å; N139-D171 PolarHBondContact N-OD1 2.61Å; N139-D171 VanDerWaalsContact N-OD1 3.1Å; N139-D171 PolarHBondContact ND2-OD1 3.02Å; D169-D171 PolarHBondContact OD1-N 2.03Å; D169-D171 VanDerWaalsContact OD1-N 3.16Å; D171-N176 HydrophobicContact CB-CB 3.98Å; D171-Q177 WeakPolarHBondContact O-CG 3.42Å; D171-Q177 PolarHBondContact O-NE2 2.84Å
172I78.8Confident87.3Confident16 Ų1654.5 Ų54.58%0.08230%0.296CS..  trans-115.4-18.1-176.3-150.3167.6000113.7K99 I105 D135 P174K99-I172 HydrophobicContact CG-CD1 4.49Å; I105-I172 HydrophobicContact CG2-CG1 4.35Å; I105-I172 HydrophobicContact CG2-CG2 3.6Å; D135-I172 HydrophobicContact CB-CG2 4.45Å; D135-I172 WeakPolarHBondContact OD1-CG2 3.45Å; D135-I172 PolarHBondContact OD1-N 2.78Å; I172-P174 WeakPolarHBondContact O-CD 3.23Å
173D80.9Confident87.3Confident59 Ų5954.5 Ų54.532%0.31630%0.296SS..SBendtrans-72.3126.1176.2-160.4-51.1000109.4D135 E175 N176 Q177D135-D173 HydrophobicContact CB-CB 3.95Å; D135-D173 WeakPolarHBondContact OD2-CB 3.43Å; D135-D173 PolarHBondContact OD2-N 3.39Å; D135-D173 VanDerWaalsContact OD2-N 3.14Å; D173-E175 PolarHBondContact O-N 3.25Å; D173-E175 VanDerWaalsContact O-N 3.07Å; D173-E175 PolarHBondContact OD1-N 2.79Å; D173-N176 HydrophobicContact CB-CB 4.26Å; D173-N176 PolarHBondContact O-N 2.83Å; D173-Q177 PolarHBondContact O-N 3.31Å
174P82.7Confident87Confident78 Ų7852.4 Ų52.451%0.50628%0.279SS..THydrogen-bonded Turntrans-60-14.1175.4-24.935.8000114.6I105 I172 Q179I105-P174 HydrophobicContact CD1-CG 4.26Å; I172-P174 WeakPolarHBondContact O-CD 3.23Å; P174-Q179 PolarHBondContact O-NE2 2.97Å
175E85.6Confident86.1Confident152 Ų15257.2 Ų57.271%0.7130%0.301SS*.THydrogen-bonded Turntrans-76.5-36.6167.3-65.7-168.118000112.2D173 Q179 P225D173-E175 PolarHBondContact O-N 3.25Å; D173-E175 VanDerWaalsContact O-N 3.07Å; D173-E175 PolarHBondContact OD1-N 2.79Å; E175-Q179 PolarHBondContact O-NE2 3.38Å; E175-P225 WeakPolarHBondContact O-CG 3.43Å
176N88.2Confident85.1Confident31 Ų3159.6 Ų59.617%0.16631%0.31CS..THydrogen-bonded Turntrans-85-25.9-178.2-68.6-25.4000113.7D135 N137 D171 D173 D224 P225D135-N176 PolarHBondContact OD2-ND2 2.89Å; N137-N176 HydrophobicContact CB-CB 3.99Å; N137-N176 PolarHBondContact N-ND2 2.8Å; N137-N176 PolarHBondContact ND2-O 2.99Å; D171-N176 HydrophobicContact CB-CB 3.98Å; D173-N176 HydrophobicContact CB-CB 4.26Å; D173-N176 PolarHBondContact O-N 2.83Å; N176-D224 WeakPolarHBondContact O-CB 3.14Å; N176-P225 WeakPolarHBondContact O-CD 3.41Å
177Q86.5Confident84.3Confident63 Ų6360.6 Ų60.629%0.29431%0.312SS..SBendtrans-68164.4-179.9-74.7-175.5-10.700114.7D169 D171 D173 Q179D169-Q177 WeakPolarHBondContact OD2-CA 3.29Å; D171-Q177 WeakPolarHBondContact O-CG 3.42Å; D171-Q177 PolarHBondContact O-NE2 2.84Å; D173-Q177 PolarHBondContact O-N 3.31Å; Q177-Q179 WeakPolarHBondContact O-CG 3.44Å; Q177-Q179 PolarHBondContact O-N 3.24Å; Q177-Q179 PolarHBondContact O-NE2 3.36Å
178I88.9Confident83.9Confident37 Ų3761.6 Ų61.619%0.1932%0.323CS..  trans-39104.6172.8-42.1-176.1000113.5P141 A167 D169 Y181 A222 C223P141-I178 HydrophobicContact CB-CD1 4.03Å; P141-I178 HydrophobicContact CB-CG1 4.07Å; P141-I178 HydrophobicContact CG-CG1 4.13Å; A167-I178 HydrophobicContact CB-CD1 3.77Å; A167-I178 WeakPolarHBondContact O-CD1 3.24Å; D169-I178 HydrophobicContact CB-CD1 4.03Å; D169-I178 HydrophobicContact CB-CG1 3.69Å; D169-I178 VanDerWaalsContact OD2-CG1 3.25Å; D169-I178 WeakPolarHBondContact OD2-CG1 3.36Å; D169-I178 PolarHBondContact OD2-N 2.95Å; I178-Y181 WeakPolarHBondContact CD1-OH 3.45Å; I178-Y181 HydrophobicContact CG2-CD2 4.35Å; I178-Y181 HydrophobicContact CG2-CE2 3.9Å; I178-A222 HydrophobicContact CG2-CB 4.2Å; I178-C223 CarbonylContact C-O 3.44Å; I178-C223 WeakPolarHBondContact CA-O 3.24Å; I178-C223 WeakPolarHBondContact CG2-O 3.42Å
179Q86.3Confident83.9Confident113 Ų11357.7 Ų57.753%0.52830%0.299SS..  trans-86.9-24.7179.1-61.9-59.6-22.700113.3P174 E175 Q177 C223 P225P174-Q179 PolarHBondContact O-NE2 2.97Å; E175-Q179 PolarHBondContact O-NE2 3.38Å; Q177-Q179 WeakPolarHBondContact O-CG 3.44Å; Q177-Q179 PolarHBondContact O-N 3.24Å; Q177-Q179 PolarHBondContact O-NE2 3.36Å; Q179-C223 PolarHBondContact N-O 3.49Å; Q179-P225 HydrophobicContact CG-CG 4.2Å
180R88.2Confident83.9Confident129 Ų12956.9 Ų56.949%0.48730%0.295SS..EExtended strand (participates in β ladder)trans-148.6138.6-174-169.1-178.475-136.3-1.1113.2T182 E221 C223R180-T182 HydrophobicContact CG-CG2 4.44Å; R180-T182 PolarHBondContact NE-OG1 2.68Å; R180-E221 IonicContact NH2-OE2 2.7Å; R180-C223 PolarHBondContact N-O 2.71Å; R180-C223 VanDerWaalsContact N-O 3.12Å; R180-C223 PolarHBondContact NH2-SG 2.67Å; R180-C223 PolarHBondContact O-N 3.1Å
181Y91.2Very high84.1Confident25 Ų2560 Ų6010%0.09830%0.302CS..EExtended strand (participates in β ladder)trans-106140.4157.5-70.6-90.2000110.8F143 A167 I178 L194 L197 V200 E221 A222F143-Y181 HydrophobicContact CE1-CE1 4.46Å; F143-Y181 HydrophobicContact CZ-CE1 4.49Å; A167-Y181 HydrophobicContact CB-CE1 4.04Å; A167-Y181 PolarHBondContact N-OH 3.09Å; A167-Y181 PolarHBondContact O-OH 3.45Å; I178-Y181 WeakPolarHBondContact CD1-OH 3.45Å; I178-Y181 HydrophobicContact CG2-CD2 4.35Å; I178-Y181 HydrophobicContact CG2-CE2 3.9Å; Y181-L194 HydrophobicContact CD2-CD2 4.24Å; Y181-L194 HydrophobicContact CG-CD2 4.42Å; Y181-L197 HydrophobicContact CD2-CD2 4.35Å; Y181-L197 HydrophobicContact CE2-CD2 4.24Å; Y181-V200 HydrophobicContact CD1-CG2 4.23Å; Y181-V200 HydrophobicContact CD2-CG2 3.97Å; Y181-V200 HydrophobicContact CE1-CG2 4.08Å; Y181-V200 HydrophobicContact CE2-CG2 3.83Å; Y181-V200 HydrophobicContact CG-CG2 4.17Å; Y181-E221 CarbonylContact C-O 3.28Å; Y181-E221 VanDerWaalsContact CA-O 3.26Å; Y181-E221 WeakPolarHBondContact CA-O 3.3Å; Y181-A222 HydrophobicContact CD1-CB 3.81Å; Y181-A222 HydrophobicContact CE1-CB 3.57Å
182T88.8Confident84.1Confident43 Ų4361.4 Ų61.426%0.26431%0.31SS..EExtended strand (participates in β ladder)trans-136.2138.5-179.49.30000111.2R180 E221R180-T182 HydrophobicContact CG-CG2 4.44Å; R180-T182 PolarHBondContact NE-OG1 2.68Å; T182-E221 PolarHBondContact N-O 3.13Å; T182-E221 WeakPolarHBondContact O-CB 3.24Å; T182-E221 PolarHBondContact O-N 3.3Å; T182-E221 PolarHBondContact OG1-OE2 2.77Å
183L89.4Confident84.5Confident22 Ų2261.6 Ų61.612%0.11531%0.311CS..EExtended strand (participates in β ladder)trans-97.297.6169.7-16472.7000108.3H186 L202 A218 L233L183-H186 HydrophobicContact CD2-CB 4.31Å; L183-H186 PolarHBondContact O-ND1 3.43Å; L183-L202 HydrophobicContact CD2-CD2 4.48Å; L183-A218 HydrophobicContact CD1-CB 3.92Å; L183-A218 HydrophobicContact CG-CB 4.33Å; L183-L233 HydrophobicContact CD1-CD1 3.93Å
184V80.9Confident84.8Confident48 Ų4861.8 Ų61.829%0.29131%0.312SS..SBendtrans-69.2-45-168-178.10000110.9H186 S219 E221V184-H186 PolarHBondContact O-ND1 2.94Å; V184-S219 PolarHBondContact N-O 3.22Å; V184-E221 HydrophobicContact CG2-CB 3.59Å; V184-E221 HydrophobicContact CG2-CG 4.27Å
185E72Confident84.7Confident111 Ų11162.5 Ų62.552%0.51932%0.319SS..SBendtrans-105.473-178.5-68.8166.7-175.300108.6T187 A218E185-T187 PolarHBondContact O-N 3.31Å; E185-A218 VanDerWaalsContact O-CB 3.27Å; E185-A218 WeakPolarHBondContact O-CB 3.46Å
186H67.1Low84Confident134 Ų13456.4 Ų56.462%0.6230%0.296SS*.  trans-80.2113.9-177.243.7-90.1000111.2L183 V184 G188L183-H186 HydrophobicContact CD2-CB 4.31Å; L183-H186 PolarHBondContact O-ND1 3.43Å; V184-H186 PolarHBondContact O-ND1 2.94Å; H186-G188 PolarHBondContact O-N 3.35Å
187T71.5Confident83.1Confident55 Ų5559.9 Ų59.934%0.33731%0.314SS..  trans-71.9-10.4-179.362.50000114.1E185 T189 Y216E185-T187 PolarHBondContact O-N 3.31Å; T187-T189 PolarHBondContact O-N 3.08Å; T187-T189 PolarHBondContact OG1-N 3.43Å; T187-Y216 HydrophobicContact CG2-CD1 3.96Å
188G80.9Confident82.4Confident31 Ų3162.3 Ų62.332%0.3234%0.335SS..SBendtrans77.9-5.4-173.400000114.7H186 R206H186-G188 PolarHBondContact O-N 3.35Å; G188-R206 PolarHBondContact O-NE 3.08Å
189T89.3Confident82Confident9 Ų964 Ų646%0.05535%0.348CS..SBendtrans-87.3-33.8170.9-55.60000111.7T187 L204 L205 R206 L208 Y216T187-T189 PolarHBondContact O-N 3.08Å; T187-T189 PolarHBondContact OG1-N 3.43Å; T189-L204 HydrophobicContact CG2-CD1 3.78Å; T189-L205 PolarHBondContact O-N 3.47Å; T189-R206 HydrophobicContact CG2-CB 4.44Å; T189-L208 HydrophobicContact CG2-CD2 3.75Å; T189-Y216 HydrophobicContact CG2-CE1 4.49Å; T189-Y216 HydrophobicContact CG2-CE2 4.37Å; T189-Y216 WeakPolarHBondContact OG1-CE1 3.24Å
190F90.2Very high82.1Confident8 Ų858.7 Ų58.74%0.03532%0.323CS..EExtended strand (participates in β ladder)trans-119.6146.7-177.3-54.7-81.5000112.3L152 I162 L202 E203 L204 L208 Y216 I235L152-F190 HydrophobicContact CD1-CE1 3.6Å; L152-F190 HydrophobicContact CD1-CZ 3.92Å; I162-F190 HydrophobicContact CD1-CE1 4.42Å; F190-L202 HydrophobicContact CB-CD2 4.46Å; F190-E203 WeakPolarHBondContact CA-O 3.28Å; F190-L204 HydrophobicContact CD1-CD1 4.04Å; F190-L204 HydrophobicContact CE1-CD1 3.59Å; F190-L204 HydrophobicContact CZ-CD1 4.16Å; F190-L208 HydrophobicContact CZ-CD2 4.05Å; F190-Y216 HydrophobicContact CE2-CD1 4.44Å; F190-Y216 AromaticContact CE2-CD2 3.8Å; F190-Y216 HydrophobicContact CE2-CD2 3.8Å; F190-Y216 HydrophobicContact CE2-CE2 4.36Å; F190-Y216 AromaticContact CE2-CG 3.82Å; F190-Y216 HydrophobicContact CE2-CG 3.82Å; F190-Y216 HydrophobicContact CZ-CD2 4.25Å; F190-I235 HydrophobicContact CD1-CD1 4.22Å; F190-I235 HydrophobicContact CD2-CD1 3.62Å; F190-I235 HydrophobicContact CE1-CD1 4.19Å; F190-I235 HydrophobicContact CE1-CG2 4.31Å; F190-I235 HydrophobicContact CE2-CB 4.49Å; F190-I235 HydrophobicContact CE2-CD1 3.61Å; F190-I235 HydrophobicContact CE2-CG2 4.27Å; F190-I235 HydrophobicContact CG-CD1 3.96Å; F190-I235 HydrophobicContact CZ-CB 4.46Å; F190-I235 HydrophobicContact CZ-CD1 3.91Å; F190-I235 HydrophobicContact CZ-CG2 3.76Å
191K89.6Confident82.2Confident96 Ų9655.3 Ų55.342%0.41731%0.31SS..EExtended strand (participates in β ladder)trans-125.8152172.3159169.9168.8-88.20110L202 E203 L205K191-L202 CarbonylContact O-C 3.56Å; K191-L202 WeakPolarHBondContact O-CA 3.47Å; K191-E203 HydrophobicContact CB-CB 4.45Å; K191-E203 WeakPolarHBondContact CD-OE2 3.4Å; K191-E203 PolarHBondContact N-O 3.16Å; K191-E203 IonicContact NZ-OE1 3.93Å; K191-E203 IonicContact NZ-OE2 3.67Å; K191-E203 PolarHBondContact NZ-OE2 3.05Å; K191-E203 PolarHBondContact O-N 3.35Å; K191-L205 HydrophobicContact CB-CD1 3.56Å; K191-L205 HydrophobicContact CB-CD2 4.29Å; K191-L205 HydrophobicContact CB-CG 3.89Å; K191-L205 HydrophobicContact CD-CD1 4.19Å; K191-L205 HydrophobicContact CD-CD2 4.44Å
192L89.8Confident82.2Confident29 Ų2954.1 Ų54.115%0.15231%0.306CS..EExtended strand (participates in β ladder)trans-84.1128.3173.6-152.374.1000110.3I164 L194 V200 L202 L220I164-L192 HydrophobicContact CD1-CD1 4.03Å; L192-L194 HydrophobicContact CD2-CD1 4.24Å; L192-L194 HydrophobicContact CD2-CD2 3.83Å; L192-L194 HydrophobicContact CD2-CG 4.1Å; L192-L194 HydrophobicContact CG-CD2 4.21Å; L192-L194 HydrophobicContact CG-CG 4.4Å; L192-V200 HydrophobicContact CD1-CG1 3.72Å; L192-V200 HydrophobicContact CD2-CG1 4.16Å; L192-V200 HydrophobicContact CG-CG1 4.02Å; L192-L202 HydrophobicContact CD1-CD2 3.97Å; L192-L220 HydrophobicContact CD1-CD1 3.89Å; L192-L220 HydrophobicContact CD2-CD1 4.41Å
193D87.7Confident82.3Confident20 Ų2054.2 Ų54.211%0.10730%0.303CS..EExtended strand (participates in β ladder)trans-102.7125.3167.8167.843.1000110L161 S195 R201L161-D193 HydrophobicContact CD2-CB 4.13Å; D193-S195 VanDerWaalsContact CG-OG 3.27Å; D193-S195 VanDerWaalsContact OD1-CB 3.23Å; D193-S195 WeakPolarHBondContact OD1-CB 2.87Å; D193-S195 PolarHBondContact OD1-N 2.88Å; D193-S195 PolarHBondContact OD1-OG 2.82Å; D193-S195 PolarHBondContact OD2-OG 2.83Å; D193-S195 VanDerWaalsContact OD2-OG 3.14Å; D193-R201 HydrophobicContact CB-CB 4.19Å; D193-R201 PolarHBondContact N-O 3.34Å; D193-R201 PolarHBondContact O-N 2.64Å; D193-R201 VanDerWaalsContact O-N 3.11Å; D193-R201 IonicContact OD2-CZ 3.44Å; D193-R201 IonicContact OD2-NE 2.77Å; D193-R201 PolarHBondContact OD2-NE 3.41Å; D193-R201 IonicContact OD2-NH2 2.84Å; D193-R201 PolarHBondContact OD2-NH2 3.32Å
194L85.2Confident82.5Confident63 Ų6353.2 Ų53.233%0.3330%0.298SS..  trans-119.512.1-179.3-62.5178.2000112.4Y181 L192 G196 L197 V200Y181-L194 HydrophobicContact CD2-CD2 4.24Å; Y181-L194 HydrophobicContact CG-CD2 4.42Å; L192-L194 HydrophobicContact CD2-CD1 4.24Å; L192-L194 HydrophobicContact CD2-CD2 3.83Å; L192-L194 HydrophobicContact CD2-CG 4.1Å; L192-L194 HydrophobicContact CG-CD2 4.21Å; L192-L194 HydrophobicContact CG-CG 4.4Å; L194-G196 PolarHBondContact O-N 3.42Å; L194-G196 VanDerWaalsContact O-N 3.13Å; L194-L197 HydrophobicContact CB-CG 4.46Å; L194-L197 HydrophobicContact CD2-CD2 4.3Å; L194-V200 HydrophobicContact CD2-CB 4.48Å; L194-V200 HydrophobicContact CD2-CG1 3.96Å; L194-V200 HydrophobicContact CD2-CG2 4.12Å
195S81.4Confident83Confident94 Ų9454.7 Ų54.766%0.65730%0.303SS*.THydrogen-bonded Turntrans-65.2-12.4177.9600000114.2D193 R201D193-S195 VanDerWaalsContact CG-OG 3.27Å; D193-S195 VanDerWaalsContact OD1-CB 3.23Å; D193-S195 WeakPolarHBondContact OD1-CB 2.87Å; D193-S195 PolarHBondContact OD1-N 2.88Å; D193-S195 PolarHBondContact OD1-OG 2.82Å; D193-S195 PolarHBondContact OD2-OG 2.83Å; D193-S195 VanDerWaalsContact OD2-OG 3.14Å; S195-R201 PolarHBondContact OG-NH2 2.95Å
196G70.6Confident83.9Confident23 Ų2356.6 Ų56.624%0.23731%0.306CS..THydrogen-bonded Turntrans-116.822.4-175.700000115.8L194 T199L194-G196 PolarHBondContact O-N 3.42Å; L194-G196 VanDerWaalsContact O-N 3.13Å; G196-T199 CarbonylContact C-O 3.57Å; G196-T199 WeakPolarHBondContact O-CA 3Å; G196-T199 WeakPolarHBondContact O-CB 3.11Å; G196-T199 PolarHBondContact O-N 2.84Å; G196-T199 PolarHBondContact O-OG1 3.24Å
197L69.7Low85Confident105 Ų10555 Ų5555%0.5531%0.308SS..THydrogen-bonded Turntrans-47.4132.9179.1-77.6169.6000111.6Y181 L194 T199Y181-L197 HydrophobicContact CD2-CD2 4.35Å; Y181-L197 HydrophobicContact CE2-CD2 4.24Å; L194-L197 HydrophobicContact CB-CG 4.46Å; L194-L197 HydrophobicContact CD2-CD2 4.3Å; L197-T199 PolarHBondContact N-O 2.84Å
198P71.1Confident86Confident113 Ų11353 Ų5373%0.73430%0.295SS*.THydrogen-bonded Turncis-81.10.712.933.5-38000115.9
199T81Confident86.7Confident73 Ų7354.1 Ų54.145%0.44829%0.294SS..SBendtrans-76.8138.3173.870.20000111.3G196 L197G196-T199 CarbonylContact C-O 3.57Å; G196-T199 WeakPolarHBondContact O-CA 3Å; G196-T199 WeakPolarHBondContact O-CB 3.11Å; G196-T199 PolarHBondContact O-N 2.84Å; G196-T199 PolarHBondContact O-OG1 3.24Å; L197-T199 PolarHBondContact N-O 2.84Å
200V88.6Confident86.9Confident1 Ų155.7 Ų55.71%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-114.9135.6177.6-177.30000108.2I164 A166 Y181 L192 L194I164-V200 HydrophobicContact CD1-CG1 3.86Å; I164-V200 HydrophobicContact CG1-CB 4.27Å; I164-V200 HydrophobicContact CG1-CG1 4.03Å; I164-V200 WeakPolarHBondContact CG1-O 3.28Å; I164-V200 PolarHBondContact N-O 2.65Å; I164-V200 VanDerWaalsContact N-O 3.13Å; A166-V200 HydrophobicContact CB-CG2 4.03Å; Y181-V200 HydrophobicContact CD1-CG2 4.23Å; Y181-V200 HydrophobicContact CD2-CG2 3.97Å; Y181-V200 HydrophobicContact CE1-CG2 4.08Å; Y181-V200 HydrophobicContact CE2-CG2 3.83Å; Y181-V200 HydrophobicContact CG-CG2 4.17Å; L192-V200 HydrophobicContact CD1-CG1 3.72Å; L192-V200 HydrophobicContact CD2-CG1 4.16Å; L192-V200 HydrophobicContact CG-CG1 4.02Å; L194-V200 HydrophobicContact CD2-CB 4.48Å; L194-V200 HydrophobicContact CD2-CG1 3.96Å; L194-V200 HydrophobicContact CD2-CG2 4.12Å
201R91Very high87Confident58 Ų5858 Ų5822%0.21931%0.309CS..EExtended strand (participates in β ladder)trans-132.8153.7-176.2-59.9-173.7-67.9-135.7-1.3111.8I162 D193 S195I162-R201 CarbonylContact O-C 3.51Å; I162-R201 VanDerWaalsContact O-CA 3.24Å; I162-R201 WeakPolarHBondContact O-CA 3.29Å; D193-R201 HydrophobicContact CB-CB 4.19Å; D193-R201 PolarHBondContact N-O 3.34Å; D193-R201 PolarHBondContact O-N 2.64Å; D193-R201 VanDerWaalsContact O-N 3.11Å; D193-R201 IonicContact OD2-CZ 3.44Å; D193-R201 IonicContact OD2-NE 2.77Å; D193-R201 PolarHBondContact OD2-NE 3.41Å; D193-R201 IonicContact OD2-NH2 2.84Å; D193-R201 PolarHBondContact OD2-NH2 3.32Å; S195-R201 PolarHBondContact OG-NH2 2.95Å
202L90.2Very high87Confident1 Ų160.7 Ų60.71%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-99.6134.7165.4-64.3167.6000109.6L161 I162 I164 L183 F190 K191 L192 L233 I235L161-L202 CarbonylContact C-O 3.6Å; L161-L202 WeakPolarHBondContact CA-O 3.42Å; I162-L202 HydrophobicContact CB-CB 4.31Å; I162-L202 HydrophobicContact CD1-CB 4.35Å; I162-L202 PolarHBondContact N-O 3.22Å; I162-L202 PolarHBondContact O-N 3.29Å; I164-L202 HydrophobicContact CD1-CD1 4.46Å; I164-L202 HydrophobicContact CD1-CD2 4.28Å; I164-L202 HydrophobicContact CD1-CG 3.97Å; I164-L202 HydrophobicContact CG2-CD1 3.89Å; I164-L202 HydrophobicContact CG2-CG 4.22Å; L183-L202 HydrophobicContact CD2-CD2 4.48Å; F190-L202 HydrophobicContact CB-CD2 4.46Å; K191-L202 CarbonylContact O-C 3.56Å; K191-L202 WeakPolarHBondContact O-CA 3.47Å; L192-L202 HydrophobicContact CD1-CD2 3.97Å; L202-L233 HydrophobicContact CD1-CD1 4.21Å; L202-L233 HydrophobicContact CD2-CD1 4.38Å; L202-I235 HydrophobicContact CD1-CD1 3.92Å
203E91.4Very high87Confident45 Ų4561.8 Ų61.821%0.2133%0.331CS..EExtended strand (participates in β ladder)trans-105.2124.1174.1-178.9-173.4-178.100108.9L161 F190 K191 L205L161-E203 HydrophobicContact CD2-CB 3.8Å; L161-E203 HydrophobicContact CD2-CG 4.01Å; F190-E203 WeakPolarHBondContact CA-O 3.28Å; K191-E203 HydrophobicContact CB-CB 4.45Å; K191-E203 WeakPolarHBondContact CD-OE2 3.4Å; K191-E203 PolarHBondContact N-O 3.16Å; K191-E203 IonicContact NZ-OE1 3.93Å; K191-E203 IonicContact NZ-OE2 3.67Å; K191-E203 PolarHBondContact NZ-OE2 3.05Å; K191-E203 PolarHBondContact O-N 3.35Å; E203-L205 HydrophobicContact CG-CD2 4.01Å; E203-L205 PolarHBondContact O-N 2.99Å
204L93.1Very high87.2Confident0 Ų064 Ų640%035%0.348CS..EExtended strand (participates in β ladder)trans-77.5117.5175.8-178.563.7000110.4T156 V158 G159 T160 T189 F190 R206 L208T156-L204 HydrophobicContact CG2-CD2 3.8Å; T156-L204 WeakPolarHBondContact O-CD2 3.36Å; V158-L204 WeakPolarHBondContact CG1-O 3.36Å; G159-L204 PolarHBondContact N-O 2.6Å; T160-L204 PolarHBondContact O-N 2.79Å; T160-L204 VanDerWaalsContact O-N 3.09Å; T189-L204 HydrophobicContact CG2-CD1 3.78Å; F190-L204 HydrophobicContact CD1-CD1 4.04Å; F190-L204 HydrophobicContact CE1-CD1 3.59Å; F190-L204 HydrophobicContact CZ-CD1 4.16Å; L204-R206 VanDerWaalsContact CD1-O 3.23Å; L204-R206 WeakPolarHBondContact CD1-O 3.19Å; L204-R206 VanDerWaalsContact CG-O 3.29Å; L204-R206 WeakPolarHBondContact CG-O 3.22Å; L204-L208 HydrophobicContact CD1-CD1 4.19Å; L204-L208 HydrophobicContact CD1-CD2 3.91Å; L204-L208 HydrophobicContact CD1-CG 3.94Å; L204-L208 HydrophobicContact CD2-CD1 3.95Å; L204-L208 HydrophobicContact CD2-CG 4.16Å
205L91.1Very high87.5Confident79 Ų7964.5 Ų64.541%0.41435%0.349SS..  trans-101.5-12.5-175.2-65.6-172.7000115.1T189 K191 E203T189-L205 PolarHBondContact O-N 3.47Å; K191-L205 HydrophobicContact CB-CD1 3.56Å; K191-L205 HydrophobicContact CB-CD2 4.29Å; K191-L205 HydrophobicContact CB-CG 3.89Å; K191-L205 HydrophobicContact CD-CD1 4.19Å; K191-L205 HydrophobicContact CD-CD2 4.44Å; E203-L205 HydrophobicContact CG-CD2 4.01Å; E203-L205 PolarHBondContact O-N 2.99Å
206R90.6Very high87.9Confident151 Ų15161.6 Ų61.657%0.5732%0.323SS*.SBendtrans-136.9153.8-178.9-61.5-175-174.3-137.7-3.1109.3G188 T189 L204G188-R206 PolarHBondContact O-NE 3.08Å; T189-R206 HydrophobicContact CG2-CB 4.44Å; L204-R206 VanDerWaalsContact CD1-O 3.23Å; L204-R206 WeakPolarHBondContact CD1-O 3.19Å; L204-R206 VanDerWaalsContact CG-O 3.29Å; L204-R206 WeakPolarHBondContact CG-O 3.22Å
207P91.2Very high88.8Confident101 Ų10165.5 Ų65.566%0.65633%0.334SS*.  trans-58.2153.9165.628.4-35.3000109.9V158V158-P207 HydrophobicContact CG2-CB 4.47Å
208L93.5Very high89.7Confident14 Ų1460.7 Ų60.77%0.07331%0.309CS..  trans-98.4158.4174-63.8166.8000108.9L152 E154 T189 F190 L204 Y216 I237L152-L208 HydrophobicContact CB-CD1 4.14Å; L152-L208 HydrophobicContact CD1-CD1 4.19Å; E154-L208 HydrophobicContact CB-CB 3.95Å; T189-L208 HydrophobicContact CG2-CD2 3.75Å; F190-L208 HydrophobicContact CZ-CD2 4.05Å; L204-L208 HydrophobicContact CD1-CD1 4.19Å; L204-L208 HydrophobicContact CD1-CD2 3.91Å; L204-L208 HydrophobicContact CD1-CG 3.94Å; L204-L208 HydrophobicContact CD2-CD1 3.95Å; L204-L208 HydrophobicContact CD2-CG 4.16Å; L208-Y216 HydrophobicContact CD2-CE2 3.78Å; L208-I237 HydrophobicContact CD1-CD1 4.07Å; L208-I237 HydrophobicContact CD2-CD1 3.89Å; L208-I237 HydrophobicContact CG-CD1 4.5Å
209D93.6Very high90.5Very high54 Ų5455.8 Ų55.829%0.28928%0.278SS..  trans-161.1111.1-177.2173.9-47.1000105.5E154 E211 Q212 V213E154-D209 WeakPolarHBondContact OE2-CA 3.47Å; D209-E211 PolarHBondContact OD1-N 2.72Å; D209-Q212 HydrophobicContact CB-CB 4.38Å; D209-Q212 WeakPolarHBondContact OD1-CB 3.49Å; D209-Q212 VanDerWaalsContact OD1-CG 3.22Å; D209-Q212 WeakPolarHBondContact OD1-CG 3.43Å; D209-Q212 PolarHBondContact OD1-N 2.83Å; D209-Q212 PolarHBondContact OD2-NE2 2.85Å; D209-V213 PolarHBondContact O-N 2.78Å
210R93.6Very high91Very high42 Ų4252.3 Ų52.316%0.15826%0.256CS..THydrogen-bonded Turntrans-79.7-33.3-170.7-172.7-153.460.877.5-10.5111.3E154 Q212 V213 S214 I237 D239 I274 D275E154-R210 WeakPolarHBondContact OE1-CB 3.29Å; E154-R210 VanDerWaalsContact OE2-CB 3.24Å; E154-R210 WeakPolarHBondContact OE2-CB 3.19Å; E154-R210 PolarHBondContact OE2-N 2.74Å; R210-Q212 PolarHBondContact O-N 3.08Å; R210-V213 CarbonylContact O-C 3.55Å; R210-V213 PolarHBondContact O-N 2.9Å; R210-S214 PolarHBondContact O-N 2.76Å; R210-S214 VanDerWaalsContact O-N 3.16Å; R210-I237 HydrophobicContact CB-CG2 4.03Å; R210-I237 HydrophobicContact CG-CB 4.43Å; R210-I237 HydrophobicContact CG-CG2 4.35Å; R210-D239 IonicContact CZ-OD1 3.12Å; R210-D239 IonicContact NE-OD1 3.74Å; R210-D239 PolarHBondContact NE-OD1 3.2Å; R210-D239 IonicContact NH2-OD1 3.41Å; R210-D239 PolarHBondContact NH2-OD1 3.19Å; R210-I274 PolarHBondContact NH2-O 2.83Å; R210-D275 VanDerWaalsContact NH2-C 3.34Å
211E92.9Very high91.2Very high55 Ų5553.1 Ų53.126%0.25726%0.26SS..THydrogen-bonded Turntrans-62.5-34.2177.4-70.755.9-124.500110.4D209 I274D209-E211 PolarHBondContact OD1-N 2.72Å; E211-I274 HydrophobicContact CB-CD1 4.24Å; E211-I274 HydrophobicContact CG-CB 4.21Å; E211-I274 HydrophobicContact CG-CD1 3.67Å; E211-I274 HydrophobicContact CG-CG1 3.72Å
212Q90.4Very high91.3Very high153 Ų15350.3 Ų50.372%0.71525%0.249SC*.THydrogen-bonded Turntrans-81.1-51167.5-69.1-17761.100112.7D209 R210D209-Q212 HydrophobicContact CB-CB 4.38Å; D209-Q212 WeakPolarHBondContact OD1-CB 3.49Å; D209-Q212 VanDerWaalsContact OD1-CG 3.22Å; D209-Q212 WeakPolarHBondContact OD1-CG 3.43Å; D209-Q212 PolarHBondContact OD1-N 2.83Å; D209-Q212 PolarHBondContact OD2-NE2 2.85Å; R210-Q212 PolarHBondContact O-N 3.08Å
213V90.2Very high91.4Very high52 Ų5250.5 Ų50.532%0.31525%0.251SS..  trans-145.495.5-175.4-171.50000112.7D209 R210 E215 Y216 I237D209-V213 PolarHBondContact O-N 2.78Å; R210-V213 CarbonylContact O-C 3.55Å; R210-V213 PolarHBondContact O-N 2.9Å; V213-E215 VanDerWaalsContact C-N 3.33Å; V213-E215 VanDerWaalsContact CG1-O 3.31Å; V213-E215 WeakPolarHBondContact CG1-O 3.31Å; V213-E215 PolarHBondContact O-N 3.28Å; V213-Y216 HydrophobicContact CB-CE1 4.21Å; V213-Y216 HydrophobicContact CB-CE2 4.17Å; V213-Y216 HydrophobicContact CG1-CD1 3.96Å; V213-Y216 HydrophobicContact CG1-CD2 4.14Å; V213-Y216 HydrophobicContact CG1-CE1 3.68Å; V213-Y216 HydrophobicContact CG1-CE2 3.88Å; V213-Y216 HydrophobicContact CG1-CG 4.2Å; V213-Y216 HydrophobicContact CG2-CE1 4.49Å; V213-I237 WeakPolarHBondContact O-CG1 3.26Å
214S91.2Very high91.4Very high66 Ų6648.9 Ų48.946%0.46224%0.243SC..SBendtrans-74.1-15.1177.860.10000115.6R210 I237R210-S214 PolarHBondContact O-N 2.76Å; R210-S214 VanDerWaalsContact O-N 3.16Å; S214-I237 PolarHBondContact O-N 2.74Å
215E91.7Very high91.2Very high74 Ų7452.7 Ų52.735%0.34627%0.268SS..EExtended strand (participates in β ladder)trans-147.8129.7-177.2-172.6-164.6-142.700111.1V213 K217 E234V213-E215 VanDerWaalsContact C-N 3.33Å; V213-E215 VanDerWaalsContact CG1-O 3.31Å; V213-E215 WeakPolarHBondContact CG1-O 3.31Å; V213-E215 PolarHBondContact O-N 3.28Å; E215-K217 VanDerWaalsContact OE1-CE 3.24Å; E215-K217 WeakPolarHBondContact OE1-CE 3.47Å; E215-K217 IonicContact OE1-NZ 2.72Å; E215-K217 PolarHBondContact OE1-NZ 3.11Å; E215-K217 IonicContact OE2-NZ 2.73Å; E215-K217 PolarHBondContact OE2-NZ 2.96Å; E215-E234 HydrophobicContact CG-CG 4.38Å; E215-E234 WeakPolarHBondContact OE1-CG 3.26Å
216Y90Very high91Very high33 Ų3351.8 Ų51.813%0.12928%0.278CS..EExtended strand (participates in β ladder)trans-111.9130.2168.7-65.2-87.9000110.6T187 T189 F190 L208 V213 I235 I237T187-Y216 HydrophobicContact CG2-CD1 3.96Å; T189-Y216 HydrophobicContact CG2-CE1 4.49Å; T189-Y216 HydrophobicContact CG2-CE2 4.37Å; T189-Y216 WeakPolarHBondContact OG1-CE1 3.24Å; F190-Y216 HydrophobicContact CE2-CD1 4.44Å; F190-Y216 AromaticContact CE2-CD2 3.8Å; F190-Y216 HydrophobicContact CE2-CD2 3.8Å; F190-Y216 HydrophobicContact CE2-CE2 4.36Å; F190-Y216 AromaticContact CE2-CG 3.82Å; F190-Y216 HydrophobicContact CE2-CG 3.82Å; F190-Y216 HydrophobicContact CZ-CD2 4.25Å; L208-Y216 HydrophobicContact CD2-CE2 3.78Å; V213-Y216 HydrophobicContact CB-CE1 4.21Å; V213-Y216 HydrophobicContact CB-CE2 4.17Å; V213-Y216 HydrophobicContact CG1-CD1 3.96Å; V213-Y216 HydrophobicContact CG1-CD2 4.14Å; V213-Y216 HydrophobicContact CG1-CE1 3.68Å; V213-Y216 HydrophobicContact CG1-CE2 3.88Å; V213-Y216 HydrophobicContact CG1-CG 4.2Å; V213-Y216 HydrophobicContact CG2-CE1 4.49Å; Y216-I235 PolarHBondContact N-O 3.34Å; Y216-I235 PolarHBondContact O-N 3.05Å; Y216-I237 HydrophobicContact CD2-CD1 3.99Å; Y216-I237 HydrophobicContact CD2-CG1 4.04Å; Y216-I237 HydrophobicContact CE2-CD1 4.16Å; Y216-I237 HydrophobicContact CE2-CG1 4.04Å
217K89Confident90.9Very high106 Ų10645.6 Ų45.646%0.46126%0.259SS..EExtended strand (participates in β ladder)trans-107.6136171.7-71.9-177.3164.9108.70110.3E215E215-K217 VanDerWaalsContact OE1-CE 3.24Å; E215-K217 WeakPolarHBondContact OE1-CE 3.47Å; E215-K217 IonicContact OE1-NZ 2.72Å; E215-K217 PolarHBondContact OE1-NZ 3.11Å; E215-K217 IonicContact OE2-NZ 2.73Å; E215-K217 PolarHBondContact OE2-NZ 2.96Å
218A87.6Confident91Very high3 Ų343.4 Ų43.43%0.02525%0.246CC..EExtended strand (participates in β ladder)trans-144.1159.1175.400000110.3L183 E185 L233L183-A218 HydrophobicContact CD1-CB 3.92Å; L183-A218 HydrophobicContact CG-CB 4.33Å; E185-A218 VanDerWaalsContact O-CB 3.27Å; E185-A218 WeakPolarHBondContact O-CB 3.46Å; A218-L233 HydrophobicContact CB-CB 4.46Å; A218-L233 PolarHBondContact N-O 2.69Å; A218-L233 PolarHBondContact O-N 3.48Å
219S89.5Confident90.9Very high10 Ų1044 Ų447%0.0725%0.25CC..EExtended strand (participates in β ladder)trans-111.6118.3174.6-169.40000110.9V184V184-S219 PolarHBondContact N-O 3.22Å
220L91.6Very high90.9Very high0 Ų047.8 Ų47.80%026%0.26CS..EExtended strand (participates in β ladder)trans-85.7126.8172.4-177.267.4000108.9F143 I164 L192 R230 Q231 L233F143-L220 HydrophobicContact CD1-CD2 4.47Å; F143-L220 HydrophobicContact CE1-CD2 3.5Å; F143-L220 HydrophobicContact CE1-CG 4.07Å; F143-L220 HydrophobicContact CZ-CB 4.48Å; F143-L220 HydrophobicContact CZ-CD2 3.82Å; F143-L220 HydrophobicContact CZ-CG 3.83Å; I164-L220 HydrophobicContact CD1-CD1 4.13Å; I164-L220 HydrophobicContact CD1-CD2 3.92Å; L192-L220 HydrophobicContact CD1-CD1 3.89Å; L192-L220 HydrophobicContact CD2-CD1 4.41Å; L220-R230 CarbonylContact O-C 3.58Å; L220-R230 WeakPolarHBondContact O-CA 3.5Å; L220-Q231 PolarHBondContact N-O 3.15Å; L220-Q231 PolarHBondContact O-N 2.62Å; L220-L233 HydrophobicContact CB-CD1 3.77Å; L220-L233 HydrophobicContact CB-CG 4.08Å; L220-L233 HydrophobicContact CD1-CD1 4.49Å; L220-L233 HydrophobicContact CD2-CD1 4.44Å; L220-L233 HydrophobicContact CG-CD1 4.47Å
221E92.1Very high90.8Very high18 Ų1845.9 Ų45.98%0.08425%0.253CS..EExtended strand (participates in β ladder)trans-117.4135.5179.6-176.7179.9-100.200109.8R180 Y181 T182 V184 C228 T229 R230R180-E221 IonicContact NH2-OE2 2.7Å; Y181-E221 CarbonylContact C-O 3.28Å; Y181-E221 VanDerWaalsContact CA-O 3.26Å; Y181-E221 WeakPolarHBondContact CA-O 3.3Å; T182-E221 PolarHBondContact N-O 3.13Å; T182-E221 WeakPolarHBondContact O-CB 3.24Å; T182-E221 PolarHBondContact O-N 3.3Å; T182-E221 PolarHBondContact OG1-OE2 2.77Å; V184-E221 HydrophobicContact CG2-CB 3.59Å; V184-E221 HydrophobicContact CG2-CG 4.27Å; E221-C228 HydrophobicContact CG-CB 4.04Å; E221-T229 CarbonylContact C-O 3.6Å; E221-T229 VanDerWaalsContact CA-O 3.29Å; E221-T229 WeakPolarHBondContact CA-O 3.17Å; E221-R230 HydrophobicContact CB-CG 4.03Å; E221-R230 HydrophobicContact CG-CG 4.05Å; E221-R230 IonicContact OE1-CZ 3.73Å; E221-R230 IonicContact OE1-NE 3.86Å; E221-R230 PolarHBondContact OE1-NE 3.19Å; E221-R230 IonicContact OE1-NH2 3.25Å; E221-R230 PolarHBondContact OE1-NH2 3.45Å
222A92.5Very high90.8Very high0 Ų046.3 Ų46.30%026%0.259CS..EExtended strand (participates in β ladder)trans-121.7130.9171.700000108.7P141 F143 A167 I178 Y181 C228 T229P141-A222 HydrophobicContact CB-CB 4.24Å; F143-A222 HydrophobicContact CE2-CB 4.01Å; F143-A222 HydrophobicContact CZ-CB 3.7Å; A167-A222 HydrophobicContact CB-CB 3.54Å; I178-A222 HydrophobicContact CG2-CB 4.2Å; Y181-A222 HydrophobicContact CD1-CB 3.81Å; Y181-A222 HydrophobicContact CE1-CB 3.57Å; A222-C228 CarbonylContact O-C 3.51Å; A222-C228 VanDerWaalsContact O-CA 3.28Å; A222-C228 WeakPolarHBondContact O-CA 3.23Å; A222-T229 PolarHBondContact N-O 2.85Å; A222-T229 PolarHBondContact O-N 3.22Å
223C92.3Very high90.8Very high4 Ų439 Ų393%0.02723%0.225CC..EExtended strand (participates in β ladder)trans-129.1131.4-176.7-590000111.6I178 Q179 R180 A227 C228I178-C223 CarbonylContact C-O 3.44Å; I178-C223 WeakPolarHBondContact CA-O 3.24Å; I178-C223 WeakPolarHBondContact CG2-O 3.42Å; Q179-C223 PolarHBondContact N-O 3.49Å; R180-C223 PolarHBondContact N-O 2.71Å; R180-C223 VanDerWaalsContact N-O 3.12Å; R180-C223 PolarHBondContact NH2-SG 2.67Å; R180-C223 PolarHBondContact O-N 3.1Å; C223-A227 WeakPolarHBondContact CA-O 3.31Å; C223-C228 HydrophobicContact CB-CB 4.09Å; C223-C228 WeakPolarHBondContact CB-SG 3.24Å; C223-C228 WeakPolarHBondContact SG-CB 3.39Å; C223-C228 CovalentContact SG-SG 2.04Å; C223-C228 PolarHBondContact SG-SG 2.75Å
224D92Very high90.9Very high11 Ų1138.6 Ų38.66%0.05922%0.22CC..  trans-88.7-168.8159.175.619.4000109.1N137 R140 P141 N176 G226 A227N137-D224 PolarHBondContact ND2-OD2 2.9Å; R140-D224 WeakPolarHBondContact CA-OD2 3.24Å; P141-D224 WeakPolarHBondContact CD-OD2 3.18Å; P141-D224 HydrophobicContact CG-CB 3.89Å; N176-D224 WeakPolarHBondContact O-CB 3.14Å; D224-G226 WeakPolarHBondContact OD1-CA 3.43Å; D224-G226 PolarHBondContact OD1-N 3.04Å; D224-A227 PolarHBondContact N-O 3Å; D224-A227 PolarHBondContact OD1-N 3.37Å
225P88.1Confident90.9Very high81 Ų8135.6 Ų35.653%0.52620%0.199SC..SBendtrans-69.3-24.4175.8-19.332000116.4E175 N176 Q179E175-P225 WeakPolarHBondContact O-CG 3.43Å; N176-P225 WeakPolarHBondContact O-CD 3.41Å; Q179-P225 HydrophobicContact CG-CG 4.2Å
226G86.5Confident91Very high60 Ų6035.6 Ų35.662%0.61920%0.199SC*.SBendtrans-109.4-22.7-172.900000115.4D224D224-G226 WeakPolarHBondContact OD1-CA 3.43Å; D224-G226 PolarHBondContact OD1-N 3.04Å
227A89.9Confident91.2Very high21 Ų2134.6 Ų34.617%0.17420%0.195CC..  trans-152.5142.3-167.300000113.3R140 C223 D224R140-A227 HydrophobicContact CB-CB 3.62Å; C223-A227 WeakPolarHBondContact CA-O 3.31Å; D224-A227 PolarHBondContact N-O 3Å; D224-A227 PolarHBondContact OD1-N 3.37Å
228C92.4Very high91.3Very high55 Ų5533.7 Ų33.737%0.37220%0.195SC..EExtended strand (participates in β ladder)trans-114.9148.1168.4-59.40000111.3R140 E221 A222 C223R140-C228 PolarHBondContact NH2-O 2.9Å; E221-C228 HydrophobicContact CG-CB 4.04Å; A222-C228 CarbonylContact O-C 3.51Å; A222-C228 VanDerWaalsContact O-CA 3.28Å; A222-C228 WeakPolarHBondContact O-CA 3.23Å; C223-C228 HydrophobicContact CB-CB 4.09Å; C223-C228 WeakPolarHBondContact CB-SG 3.24Å; C223-C228 WeakPolarHBondContact SG-CB 3.39Å; C223-C228 CovalentContact SG-SG 2.04Å; C223-C228 PolarHBondContact SG-SG 2.75Å
229T92.5Very high91.5Very high25 Ų2534.5 Ų34.515%0.15320%0.199CC..EExtended strand (participates in β ladder)trans-126.9151.6174-580000109.5R140 P141 F143 E221 A222R140-T229 PolarHBondContact NH1-OG1 3.22Å; P141-T229 WeakPolarHBondContact O-CB 3.22Å; P141-T229 WeakPolarHBondContact O-CG2 3.35Å; P141-T229 PolarHBondContact O-OG1 2.8Å; F143-T229 HydrophobicContact CD2-CG2 4.01Å; F143-T229 HydrophobicContact CE2-CG2 4.48Å; E221-T229 CarbonylContact C-O 3.6Å; E221-T229 VanDerWaalsContact CA-O 3.29Å; E221-T229 WeakPolarHBondContact CA-O 3.17Å; A222-T229 PolarHBondContact N-O 2.85Å; A222-T229 PolarHBondContact O-N 3.22Å
230R92.5Very high91.6Very high134 Ų13436.8 Ų36.851%0.50621%0.208SC..EExtended strand (participates in β ladder)trans-125.6150.4-179.1-66.9-176.5-177.8-178.1-1.5112.6L220 E221L220-R230 CarbonylContact O-C 3.58Å; L220-R230 WeakPolarHBondContact O-CA 3.5Å; E221-R230 HydrophobicContact CB-CG 4.03Å; E221-R230 HydrophobicContact CG-CG 4.05Å; E221-R230 IonicContact OE1-CZ 3.73Å; E221-R230 IonicContact OE1-NE 3.86Å; E221-R230 PolarHBondContact OE1-NE 3.19Å; E221-R230 IonicContact OE1-NH2 3.25Å; E221-R230 PolarHBondContact OE1-NH2 3.45Å
231Q92.5Very high91.5Very high2 Ų239.2 Ų39.21%0.00922%0.221CC..EExtended strand (participates in β ladder)trans-132.7141.8170.7176.6179.461.800108.9F143 A145 Q146 L220F143-Q231 HydrophobicContact CB-CB 4.07Å; F143-Q231 HydrophobicContact CB-CG 4.46Å; F143-Q231 HydrophobicContact CD1-CB 4.05Å; F143-Q231 HydrophobicContact CD2-CB 3.6Å; F143-Q231 HydrophobicContact CE1-CB 4.38Å; F143-Q231 HydrophobicContact CE2-CB 3.96Å; F143-Q231 HydrophobicContact CG-CB 3.65Å; F143-Q231 HydrophobicContact CG-CG 4.39Å; F143-Q231 HydrophobicContact CZ-CB 4.34Å; A145-Q231 PolarHBondContact O-NE2 3.01Å; Q146-Q231 WeakPolarHBondContact O-CA 3.25Å; L220-Q231 PolarHBondContact N-O 3.15Å; L220-Q231 PolarHBondContact O-N 2.62Å
232T92.2Very high91.3Very high64 Ų6443.8 Ų43.839%0.39325%0.246SC..EExtended strand (participates in β ladder)trans-82.1119.5173.6-55.80000109.9Q146 S147 Q148Q146-T232 PolarHBondContact O-N 3.47Å; S147-T232 CarbonylContact C-O 3.59Å; S147-T232 WeakPolarHBondContact CA-O 2.94Å; S147-T232 WeakPolarHBondContact CB-O 3.27Å; Q148-T232 PolarHBondContact N-O 2.92Å
233L91.2Very high91.1Very high0 Ų046.1 Ų46.10%026%0.259CS..EExtended strand (participates in β ladder)trans-88.2121.4166.5-74.2167.7000108.9Q148 V150 I164 L183 L202 A218 L220Q148-L233 HydrophobicContact CB-CD2 4.23Å; Q148-L233 HydrophobicContact CG-CD2 4.37Å; Q148-L233 WeakPolarHBondContact O-CA 3.14Å; V150-L233 HydrophobicContact CG2-CD2 4.44Å; I164-L233 HydrophobicContact CB-CD2 4.48Å; I164-L233 HydrophobicContact CD1-CD1 4.12Å; I164-L233 HydrophobicContact CG2-CD2 4.04Å; L183-L233 HydrophobicContact CD1-CD1 3.93Å; L202-L233 HydrophobicContact CD1-CD1 4.21Å; L202-L233 HydrophobicContact CD2-CD1 4.38Å; A218-L233 HydrophobicContact CB-CB 4.46Å; A218-L233 PolarHBondContact N-O 2.69Å; A218-L233 PolarHBondContact O-N 3.48Å; L220-L233 HydrophobicContact CB-CD1 3.77Å; L220-L233 HydrophobicContact CB-CG 4.08Å; L220-L233 HydrophobicContact CD1-CD1 4.49Å; L220-L233 HydrophobicContact CD2-CD1 4.44Å; L220-L233 HydrophobicContact CG-CD1 4.47Å
234E91.5Very high90.8Very high44 Ų4448.6 Ų48.621%0.20628%0.277CS..EExtended strand (participates in β ladder)trans-111.7105.1175.9-170.7-176.7110.200108.5Q148 T149 V150 E215 Q236Q148-E234 PolarHBondContact O-N 2.96Å; T149-E234 CarbonylContact C-O 3.53Å; T149-E234 VanDerWaalsContact CA-O 3.26Å; T149-E234 WeakPolarHBondContact CA-O 3.06Å; V150-E234 PolarHBondContact N-O 2.91Å; E215-E234 HydrophobicContact CG-CG 4.38Å; E215-E234 WeakPolarHBondContact OE1-CG 3.26Å; E234-Q236 HydrophobicContact CG-CG 4.42Å; E234-Q236 PolarHBondContact OE1-NE2 2.87Å
235I91.6Very high90.7Very high3 Ų348.2 Ų48.22%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-102.4101.5-174.8-49.9171.7000107.9V150 L152 F190 L202 Y216 I237V150-I235 HydrophobicContact CB-CG1 4.4Å; V150-I235 CarbonylContact O-C 3.57Å; V150-I235 VanDerWaalsContact O-CA 3.31Å; V150-I235 WeakPolarHBondContact O-CA 3.27Å; L152-I235 HydrophobicContact CD1-CG2 3.61Å; L152-I235 HydrophobicContact CG-CG2 4.14Å; F190-I235 HydrophobicContact CD1-CD1 4.22Å; F190-I235 HydrophobicContact CD2-CD1 3.62Å; F190-I235 HydrophobicContact CE1-CD1 4.19Å; F190-I235 HydrophobicContact CE1-CG2 4.31Å; F190-I235 HydrophobicContact CE2-CB 4.49Å; F190-I235 HydrophobicContact CE2-CD1 3.61Å; F190-I235 HydrophobicContact CE2-CG2 4.27Å; F190-I235 HydrophobicContact CG-CD1 3.96Å; F190-I235 HydrophobicContact CZ-CB 4.46Å; F190-I235 HydrophobicContact CZ-CD1 3.91Å; F190-I235 HydrophobicContact CZ-CG2 3.76Å; L202-I235 HydrophobicContact CD1-CD1 3.92Å; Y216-I235 PolarHBondContact N-O 3.34Å; Y216-I235 PolarHBondContact O-N 3.05Å; I235-I237 HydrophobicContact CG2-CD1 4.24Å
236Q92.9Very high90.7Very high74 Ų7452.2 Ų52.235%0.34628%0.279SS..EExtended strand (participates in β ladder)trans-88.5128.6-179.2-64.1179.2-2.500109.6T149 V150 T151 L152 E234T149-Q236 HydrophobicContact CG2-CG 3.94Å; V150-Q236 PolarHBondContact O-N 3.03Å; T151-Q236 WeakPolarHBondContact CA-O 3.48Å; T151-Q236 HydrophobicContact CG2-CB 4.24Å; L152-Q236 PolarHBondContact N-O 2.88Å; L152-Q236 VanDerWaalsContact N-O 3.08Å; E234-Q236 HydrophobicContact CG-CG 4.42Å; E234-Q236 PolarHBondContact OE1-NE2 2.87Å
237I94.1Very high90.8Very high12 Ų1249.6 Ų49.66%0.06225%0.251CS..EExtended strand (participates in β ladder)trans-93.5123.5178.8-49.8-49.7000108.9L152 E154 L208 R210 V213 S214 Y216 I235L152-I237 HydrophobicContact CB-CD1 4.39Å; L152-I237 CarbonylContact O-C 3.54Å; L152-I237 WeakPolarHBondContact O-CA 3.36Å; E154-I237 HydrophobicContact CB-CG2 3.77Å; L208-I237 HydrophobicContact CD1-CD1 4.07Å; L208-I237 HydrophobicContact CD2-CD1 3.89Å; L208-I237 HydrophobicContact CG-CD1 4.5Å; R210-I237 HydrophobicContact CB-CG2 4.03Å; R210-I237 HydrophobicContact CG-CB 4.43Å; R210-I237 HydrophobicContact CG-CG2 4.35Å; V213-I237 WeakPolarHBondContact O-CG1 3.26Å; S214-I237 PolarHBondContact O-N 2.74Å; Y216-I237 HydrophobicContact CD2-CD1 3.99Å; Y216-I237 HydrophobicContact CD2-CG1 4.04Å; Y216-I237 HydrophobicContact CE2-CD1 4.16Å; Y216-I237 HydrophobicContact CE2-CG1 4.04Å; I235-I237 HydrophobicContact CG2-CD1 4.24Å
238L92.1Very high90.4Very high86 Ų8651.8 Ų51.845%0.4527%0.269SS..EExtended strand (participates in β ladder)trans-86.7126.7174.6-56.3178.3000108.9T151 L152 E154T151-L238 HydrophobicContact CG2-CD2 4.39Å; L152-L238 PolarHBondContact O-N 2.96Å; E154-L238 PolarHBondContact N-O 3.14Å; E154-L238 VanDerWaalsContact N-O 3.08Å
239D92.6Very high90.2Very high21 Ų2154 Ų5411%0.11228%0.277CS..PPolyproline II helixtrans-47.5141.8171.5-172.184.9000113.2E154 R210 S276 R279E154-D239 WeakPolarHBondContact OE1-CA 3.22Å; R210-D239 IonicContact CZ-OD1 3.12Å; R210-D239 IonicContact NE-OD1 3.74Å; R210-D239 PolarHBondContact NE-OD1 3.2Å; R210-D239 IonicContact NH2-OD1 3.41Å; R210-D239 PolarHBondContact NH2-OD1 3.19Å; D239-S276 VanDerWaalsContact CG-CB 3.42Å; D239-S276 WeakPolarHBondContact OD1-CA 3.09Å; D239-S276 WeakPolarHBondContact OD1-CB 3.39Å; D239-S276 PolarHBondContact OD1-N 2.82Å; D239-S276 PolarHBondContact OD2-N 3.48Å; D239-R279 PolarHBondContact O-NH1 2.83Å; D239-R279 WeakPolarHBondContact OD2-CD 3.33Å; D239-R279 IonicContact OD2-NH1 2.97Å
240E89.8Confident90Very high57 Ų5756.1 Ų56.127%0.26629%0.29SS..  trans-128.4158161.7-62-65.3-17400111.1S153 E154 A155 D242 R279S153-E240 WeakPolarHBondContact CB-OE1 3.24Å; S153-E240 VanDerWaalsContact OG-CG 3.23Å; S153-E240 WeakPolarHBondContact OG-CG 3.38Å; S153-E240 PolarHBondContact OG-OE1 2.87Å; E154-E240 HydrophobicContact CG-CB 4.11Å; E154-E240 HydrophobicContact CG-CG 4.1Å; E154-E240 PolarHBondContact OE1-N 3.45Å; A155-E240 HydrophobicContact CB-CG 4.11Å; E240-D242 PolarHBondContact O-N 3.26Å; E240-R279 IonicContact OE2-CZ 2.56Å; E240-R279 IonicContact OE2-NH1 2.88Å; E240-R279 PolarHBondContact OE2-NH1 3.08Å; E240-R279 IonicContact OE2-NH2 2.61Å; E240-R279 PolarHBondContact OE2-NH2 3.42Å
241N89.5Confident90Very high51 Ų5158.3 Ų58.327%0.27330%0.299SS..SBendtrans-8460.4-174.8-158.4126.8000111.2D275 R279 D329N241-D275 VanDerWaalsContact CA-OD2 3.25Å; N241-D275 WeakPolarHBondContact CA-OD2 3.05Å; N241-R279 HydrophobicContact CB-CB 4.38Å; N241-R279 HydrophobicContact CB-CG 4.03Å; N241-R279 WeakPolarHBondContact OD1-CB 3.35Å; N241-R279 WeakPolarHBondContact OD1-CG 3.4Å; N241-D329 PolarHBondContact OD1-OD1 3.32Å
242D89.5Confident90Very high114 Ų11459.9 Ų59.961%0.6131%0.305SS*.  trans-97.2-15.7-171.9106.2-35.3000114.2E240E240-D242 PolarHBondContact O-N 3.26Å
243N88.1Confident90.1Very high49 Ų4963.5 Ų63.526%0.26232%0.322SS..SBendtrans-89.3-174.1167.1-59-83.5000111.3I274 D275N243-I274 HydrophobicContact CB-CG1 3.91Å; N243-D275 VanDerWaalsContact CB-OD1 3.22Å; N243-D275 WeakPolarHBondContact CB-OD1 3.44Å; N243-D275 PolarHBondContact N-OD1 3.08Å; N243-D275 PolarHBondContact ND2-OD1 2.98Å
244S85.1Confident90.2Very high57 Ų5767.8 Ų67.840%0.39934%0.341SS..  trans-157.8149.9179.3-60.70000110.9R246 D273S244-R246 PolarHBondContact O-N 3.26Å; S244-D273 VanDerWaalsContact CA-OD2 3.24Å; S244-D273 WeakPolarHBondContact CA-OD2 3.26Å
245P90.1Very high90.3Very high2 Ų274 Ų741%0.01336%0.362CS..  trans-66.7119.2-168.7-26.736.7000113.7A271 D273 V282 A327 D329 S341P245-A271 HydrophobicContact CB-CB 4.35Å; P245-D273 WeakPolarHBondContact CD-OD2 3.33Å; P245-D273 HydrophobicContact CG-CB 4.29Å; P245-D273 VanDerWaalsContact CG-OD2 3.28Å; P245-D273 WeakPolarHBondContact CG-OD2 3.22Å; P245-V282 HydrophobicContact CB-CG1 4.1Å; P245-V282 HydrophobicContact CB-CG2 3.95Å; P245-V282 HydrophobicContact CG-CG2 4.25Å; P245-A327 HydrophobicContact CB-CB 3.79Å; P245-D329 HydrophobicContact CG-CB 4.36Å; P245-S341 WeakPolarHBondContact O-CB 3.08Å; P245-S341 PolarHBondContact O-OG 3.32Å
246R88.6Confident90.4Very high165 Ų16574 Ų7462%0.62336%0.362SS*.EExtended strand (participates in β ladder)trans-101.9113.1-175.2-171.4175.5174-75.5-7111.6S244 A271 T272S244-R246 PolarHBondContact O-N 3.26Å; R246-A271 VanDerWaalsContact O-CA 3.27Å; R246-A271 WeakPolarHBondContact O-CA 3.06Å; R246-T272 PolarHBondContact N-O 3.47Å; R246-T272 PolarHBondContact O-N 2.96Å
247L87.4Confident90.3Very high5 Ų574.2 Ų74.23%0.02637%0.365CS..EExtended strand (participates in β ladder)trans-65.9138.8173.3-76162.5000111.4L269 A271 Y284 A327 S341 T342 A343L247-L269 HydrophobicContact CD2-CB 4.42Å; L247-A271 HydrophobicContact CB-CB 4.5Å; L247-A271 HydrophobicContact CD2-CB 3.7Å; L247-A271 HydrophobicContact CG-CB 3.9Å; L247-Y284 HydrophobicContact CD2-CE1 4.14Å; L247-A327 HydrophobicContact CD2-CB 4.42Å; L247-A327 HydrophobicContact CG-CB 4.18Å; L247-S341 VanDerWaalsContact CD1-O 3.24Å; L247-S341 WeakPolarHBondContact CD1-O 3.38Å; L247-T342 VanDerWaalsContact CD1-C 3.48Å; L247-A343 HydrophobicContact CD1-CB 3.79Å
248A82.8Confident90.1Very high67 Ų6774.2 Ų74.255%0.55437%0.365SS*.SBendtrans-67.2-35.1179.200000113.1N270A248-N270 PolarHBondContact N-O 3.3Å
249N88.1Confident89.8Confident101 Ų10174.8 Ų74.854%0.5437%0.369SS..  trans-133.1140.4172.7-67.4-46.1000108.8F252N249-F252 HydrophobicContact CB-CE1 4.15Å; N249-F252 HydrophobicContact CB-CE2 4.15Å; N249-F252 HydrophobicContact CB-CZ 3.74Å; N249-F252 VanDerWaalsContact O-CE2 3.26Å; N249-F252 WeakPolarHBondContact O-CE2 3.28Å
250T88.1Confident89.7Confident70 Ų7075.2 Ų75.243%0.42937%0.37SS..SBendtrans-102.33.6-179.853.20000113.5A343 D344T250-A343 CarbonylContact O-C 3.55Å; T250-A343 VanDerWaalsContact O-CA 3.26Å; T250-A343 WeakPolarHBondContact O-CA 3.18Å; T250-D344 PolarHBondContact O-N 3.09Å
251R91.4Very high89.8Confident181 Ų18177 Ų7768%0.68339%0.387SS*.EExtended strand (participates in β ladder)trans-143.9134.1176.9-62.5-171.3176.4-107.1-13.8111.3D344R251-D344 CarbonylContact C-O 3.57Å; R251-D344 VanDerWaalsContact CA-O 3.3Å; R251-D344 WeakPolarHBondContact CA-O 3.45Å; R251-D344 HydrophobicContact CG-CB 4.25Å; R251-D344 IonicContact CZ-OD2 3.8Å; R251-D344 IonicContact NE-OD2 3.57Å; R251-D344 IonicContact NH1-OD2 2.7Å; R251-D344 PolarHBondContact NH1-OD2 3.3Å; R251-D344 IonicContact NH2-OD2 3.63Å; R251-D344 PolarHBondContact NH2-OD2 3.07Å
252F92.9Very high89.9Confident35 Ų3578.4 Ų78.415%0.15440%0.397CS..EExtended strand (participates in β ladder)trans-137117.1179.2-63.6-92.2000111.8N249 L267 L269 A343 D344 I345 T346N249-F252 HydrophobicContact CB-CE1 4.15Å; N249-F252 HydrophobicContact CB-CE2 4.15Å; N249-F252 HydrophobicContact CB-CZ 3.74Å; N249-F252 VanDerWaalsContact O-CE2 3.26Å; N249-F252 WeakPolarHBondContact O-CE2 3.28Å; F252-L267 HydrophobicContact CB-CD2 3.73Å; F252-L267 HydrophobicContact CD1-CD1 3.7Å; F252-L267 HydrophobicContact CD1-CD2 3.98Å; F252-L267 HydrophobicContact CD1-CG 4.43Å; F252-L267 HydrophobicContact CD2-CD2 4.26Å; F252-L267 HydrophobicContact CE1-CD1 4.08Å; F252-L267 HydrophobicContact CG-CD1 4.33Å; F252-L267 HydrophobicContact CG-CD2 3.75Å; F252-L269 HydrophobicContact CD2-CD2 3.92Å; F252-L269 HydrophobicContact CE1-CD2 4.47Å; F252-L269 HydrophobicContact CE2-CD2 3.42Å; F252-L269 VanDerWaalsContact CE2-CD2 3.42Å; F252-L269 HydrophobicContact CZ-CD2 3.73Å; F252-A343 HydrophobicContact CD2-CB 4.04Å; F252-A343 HydrophobicContact CE2-CB 3.88Å; F252-D344 PolarHBondContact N-O 3.39Å; F252-I345 HydrophobicContact CB-CG1 4.43Å; F252-I345 HydrophobicContact CB-CG2 4.45Å; F252-I345 HydrophobicContact CD2-CG1 4.26Å; F252-I345 WeakPolarHBondContact O-CA 3.36Å; F252-T346 PolarHBondContact O-N 3.24Å
253N93.8Very high89.9Confident139 Ų13975.3 Ų75.374%0.74339%0.392SS*.EExtended strand (participates in β ladder)trans-109.1120.3171.9-65.132.4000108.7T346N253-T346 WeakPolarHBondContact CA-O 2.87Å
254K93.9Very high90.2Very high91 Ų9175.6 Ų75.640%0.39640%0.396SS..EExtended strand (participates in β ladder)trans-128.1137.8-176.1-172.375.7178.4-160.90110.1L256 V266 T346 F347 T348K254-L256 HydrophobicContact CG-CD2 3.74Å; K254-L256 HydrophobicContact CG-CG 4.32Å; K254-V266 VanDerWaalsContact CE-O 3.23Å; K254-V266 WeakPolarHBondContact CE-O 3.37Å; K254-V266 PolarHBondContact NZ-O 3.29Å; K254-T346 PolarHBondContact N-O 2.79Å; K254-F347 HydrophobicContact CB-CD1 3.63Å; K254-F347 HydrophobicContact CB-CE1 3.91Å; K254-F347 HydrophobicContact CG-CD1 4.4Å; K254-F347 HydrophobicContact CG-CE1 4.46Å; K254-F347 WeakPolarHBondContact O-CA 3.37Å; K254-T348 PolarHBondContact O-N 3.3Å; K254-T348 PolarHBondContact O-OG1 3.39Å
255R93.7Very high90.7Very high174 Ų17475.7 Ų75.766%0.65739%0.394SS*.EExtended strand (participates in β ladder)trans-98137.5168.9-47.6-168.1-151.4-175.82.2110T348 E350R255-T348 WeakPolarHBondContact CA-O 3.25Å; R255-E350 HydrophobicContact CB-CG 4.32Å; R255-E350 WeakPolarHBondContact CD-OE1 3.42Å; R255-E350 IonicContact CZ-OE1 2.67Å; R255-E350 IonicContact NE-OE1 3.22Å; R255-E350 IonicContact NH1-OE1 3.42Å; R255-E350 PolarHBondContact NH1-OE1 2.75Å
256L93.4Very high90.9Very high3 Ų375.9 Ų75.92%0.01640%0.395CS..EExtended strand (participates in β ladder)trans-130.7111.7-176.6-60.6-177.3000108.2K254 I260 V266 F298 L313 F347 T348 V349 E350K254-L256 HydrophobicContact CG-CD2 3.74Å; K254-L256 HydrophobicContact CG-CG 4.32Å; L256-I260 HydrophobicContact CB-CD1 3.86Å; L256-I260 HydrophobicContact CD2-CD1 3.86Å; L256-I260 HydrophobicContact CG-CD1 4.43Å; L256-V266 HydrophobicContact CD1-CB 4.19Å; L256-V266 HydrophobicContact CD1-CG1 4.07Å; L256-V266 HydrophobicContact CD2-CB 3.78Å; L256-V266 HydrophobicContact CD2-CG1 3.75Å; L256-F298 HydrophobicContact CD1-CE1 3.99Å; L256-F298 HydrophobicContact CD1-CZ 4.04Å; L256-L313 HydrophobicContact CB-CD1 3.75Å; L256-L313 HydrophobicContact CD1-CD1 4.05Å; L256-F347 HydrophobicContact CD1-CB 3.87Å; L256-F347 HydrophobicContact CD1-CD2 3.76Å; L256-F347 HydrophobicContact CD1-CE2 4.42Å; L256-F347 HydrophobicContact CD1-CG 3.86Å; L256-F347 HydrophobicContact CG-CB 4.49Å; L256-T348 PolarHBondContact N-O 3.23Å; L256-V349 CarbonylContact O-C 3.5Å; L256-V349 VanDerWaalsContact O-CA 3.25Å; L256-V349 WeakPolarHBondContact O-CA 3.46Å; L256-E350 PolarHBondContact O-N 2.81Å
257I90.8Very high91.2Very high79 Ų7969.1 Ų69.141%0.40537%0.371SS..EExtended strand (participates in β ladder)trans-63.9139.6169.560.5-176.7000108.9N259 I260 E350 V352I257-N259 VanDerWaalsContact CD1-OD1 3.3Å; I257-N259 WeakPolarHBondContact CD1-OD1 3.3Å; I257-N259 WeakPolarHBondContact CG1-OD1 3.26Å; I257-N259 PolarHBondContact O-N 3.41Å; I257-I260 HydrophobicContact CG1-CD1 4.22Å; I257-I260 HydrophobicContact CG1-CG1 3.77Å; I257-I260 WeakPolarHBondContact O-CD1 3.24Å; I257-I260 VanDerWaalsContact O-CG1 3.23Å; I257-I260 WeakPolarHBondContact O-CG1 3.32Å; I257-I260 PolarHBondContact O-N 3.32Å; I257-E350 WeakPolarHBondContact CA-O 3.45Å; I257-E350 HydrophobicContact CG2-CB 4.15Å; I257-V352 HydrophobicContact CB-CG2 4.08Å
258E89.8Confident91.5Very high11 Ų1173.5 Ų73.55%0.05139%0.391CS..THydrogen-bonded Turntrans-65-29.5-168.272.7-168.3136.900113.7I260 L313 A314 A315 V349 E350 V352 N354E258-I260 PolarHBondContact O-N 3.03Å; E258-I260 VanDerWaalsContact O-N 3.13Å; E258-L313 HydrophobicContact CB-CB 4.1Å; E258-A314 WeakPolarHBondContact OE2-CA 3.37Å; E258-A315 PolarHBondContact OE2-N 2.64Å; E258-V349 HydrophobicContact CB-CG1 3.71Å; E258-E350 PolarHBondContact N-O 2.76Å; E258-V352 HydrophobicContact CG-CB 4.34Å; E258-V352 HydrophobicContact CG-CG2 4.38Å; E258-V352 PolarHBondContact OE1-N 2.79Å; E258-N354 PolarHBondContact OE1-ND2 2.79Å
259N87.3Confident91.9Very high99 Ų9970.3 Ų70.353%0.52937%0.365SS..THydrogen-bonded Turntrans-80.119.6179.570.6-4.3000114.9I257I257-N259 VanDerWaalsContact CD1-OD1 3.3Å; I257-N259 WeakPolarHBondContact CD1-OD1 3.3Å; I257-N259 WeakPolarHBondContact CG1-OD1 3.26Å; I257-N259 PolarHBondContact O-N 3.41Å
260I89.7Confident92Very high29 Ų2970.3 Ų70.315%0.14937%0.365CS..PPolyproline II helixtrans-61130.8171.4-75.9165.3000110.1L256 I257 E258 V262 T264 L309L256-I260 HydrophobicContact CB-CD1 3.86Å; L256-I260 HydrophobicContact CD2-CD1 3.86Å; L256-I260 HydrophobicContact CG-CD1 4.43Å; I257-I260 HydrophobicContact CG1-CD1 4.22Å; I257-I260 HydrophobicContact CG1-CG1 3.77Å; I257-I260 WeakPolarHBondContact O-CD1 3.24Å; I257-I260 VanDerWaalsContact O-CG1 3.23Å; I257-I260 WeakPolarHBondContact O-CG1 3.32Å; I257-I260 PolarHBondContact O-N 3.32Å; E258-I260 PolarHBondContact O-N 3.03Å; E258-I260 VanDerWaalsContact O-N 3.13Å; I260-V262 PolarHBondContact O-N 3.23Å; I260-T264 HydrophobicContact CG2-CG2 3.85Å; I260-L309 HydrophobicContact CB-CD2 4.03Å; I260-L309 HydrophobicContact CG2-CD2 3.7Å; I260-L309 VanDerWaalsContact O-CD2 3.31Å; I260-L309 WeakPolarHBondContact O-CD2 3.35Å
261P91.1Very high92.1Very high94 Ų9467.3 Ų67.361%0.6135%0.348SS*.PPolyproline II helixtrans-61.6135.8177-25.334.9000113.3G263 T264P261-G263 PolarHBondContact O-N 2.95Å; P261-T264 VanDerWaalsContact O-CB 3.25Å; P261-T264 WeakPolarHBondContact O-CB 3.26Å; P261-T264 PolarHBondContact O-N 2.99Å; P261-T264 VanDerWaalsContact O-N 3.15Å; P261-T264 PolarHBondContact O-OG1 2.63Å
262V91.8Very high92.1Very high82 Ų8262.7 Ų62.750%0.49734%0.34SS..THydrogen-bonded Turntrans-55.2136.9170.9-1800000110.1I260 R310 P312I260-V262 PolarHBondContact O-N 3.23Å; V262-R310 WeakPolarHBondContact CG1-O 3.28Å; V262-P312 HydrophobicContact CG2-CG 4.02Å
263G90.9Very high92Very high49 Ų4962.1 Ų62.151%0.50534%0.338SS..THydrogen-bonded Turntrans95.9-12.7-172.500000114.8P261 L309P261-G263 PolarHBondContact O-N 2.95Å; G263-L309 PolarHBondContact N-O 3.27Å
264T94Very high91.9Very high55 Ų5560.2 Ų60.234%0.33733%0.327SS..  trans-65.3133.4178.1-57.70000111.8I260 P261 V266 K308 L309I260-T264 HydrophobicContact CG2-CG2 3.85Å; P261-T264 VanDerWaalsContact O-CB 3.25Å; P261-T264 WeakPolarHBondContact O-CB 3.26Å; P261-T264 PolarHBondContact O-N 2.99Å; P261-T264 VanDerWaalsContact O-N 3.15Å; P261-T264 PolarHBondContact O-OG1 2.63Å; T264-V266 PolarHBondContact O-N 3.27Å; T264-K308 CarbonylContact O-C 3.54Å; T264-K308 WeakPolarHBondContact O-CA 3.42Å; T264-L309 PolarHBondContact O-N 3.31Å
265V95.4Very high91.8Very high59 Ų5956.4 Ų56.436%0.35831%0.311SS..EExtended strand (participates in β ladder)trans-73.4111.3169.1-178.90000109L267 E306 I307 K308V265-L267 WeakPolarHBondContact CG1-O 3.19Å; V265-E306 HydrophobicContact CG1-CB 4.22Å; V265-E306 HydrophobicContact CG1-CG 4.29Å; V265-E306 HydrophobicContact CG2-CB 4.39Å; V265-E306 HydrophobicContact CG2-CG 4.29Å; V265-E306 WeakPolarHBondContact CG2-OE1 3.29Å; V265-I307 CarbonylContact C-O 3.59Å; V265-I307 WeakPolarHBondContact CA-O 3.16Å; V265-K308 HydrophobicContact CB-CG 4.5Å; V265-K308 HydrophobicContact CG2-CD 4.3Å; V265-K308 VanDerWaalsContact CG2-CE 3.46Å; V265-K308 HydrophobicContact CG2-CG 3.75Å
266V94.7Very high91.6Very high6 Ų651 Ų514%0.03630%0.3CS..EExtended strand (participates in β ladder)trans-87.8-31.1-178.2-68.10000112.8K254 L256 T264 F298 I307 L309 F347K254-V266 VanDerWaalsContact CE-O 3.23Å; K254-V266 WeakPolarHBondContact CE-O 3.37Å; K254-V266 PolarHBondContact NZ-O 3.29Å; L256-V266 HydrophobicContact CD1-CB 4.19Å; L256-V266 HydrophobicContact CD1-CG1 4.07Å; L256-V266 HydrophobicContact CD2-CB 3.78Å; L256-V266 HydrophobicContact CD2-CG1 3.75Å; T264-V266 PolarHBondContact O-N 3.27Å; V266-F298 HydrophobicContact CG2-CD1 3.97Å; V266-F298 HydrophobicContact CG2-CE1 3.94Å; V266-I307 HydrophobicContact CG2-CB 4.22Å; V266-I307 HydrophobicContact CG2-CG2 3.82Å; V266-I307 VanDerWaalsContact CG2-O 3.24Å; V266-I307 WeakPolarHBondContact CG2-O 3.38Å; V266-I307 PolarHBondContact N-O 2.84Å; V266-L309 HydrophobicContact CG1-CB 4.23Å; V266-F347 HydrophobicContact CG2-CD2 4.45Å; V266-F347 HydrophobicContact CG2-CE2 3.55Å; V266-F347 HydrophobicContact CG2-CZ 3.76Å
267L94.4Very high91.4Very high22 Ų2253.9 Ų53.912%0.11533%0.33CS..EExtended strand (participates in β ladder)trans-147.8148.7173.8-178.359.5000110.4F252 V265 L269 I307 I345 F347F252-L267 HydrophobicContact CB-CD2 3.73Å; F252-L267 HydrophobicContact CD1-CD1 3.7Å; F252-L267 HydrophobicContact CD1-CD2 3.98Å; F252-L267 HydrophobicContact CD1-CG 4.43Å; F252-L267 HydrophobicContact CD2-CD2 4.26Å; F252-L267 HydrophobicContact CE1-CD1 4.08Å; F252-L267 HydrophobicContact CG-CD1 4.33Å; F252-L267 HydrophobicContact CG-CD2 3.75Å; V265-L267 WeakPolarHBondContact CG1-O 3.19Å; L267-L269 HydrophobicContact CD2-CD2 4.03Å; L267-L269 HydrophobicContact CG-CD2 4.39Å; L267-I307 HydrophobicContact CB-CB 4.45Å; L267-I307 HydrophobicContact CB-CD1 4.41Å; L267-I307 HydrophobicContact CD2-CD1 4.31Å; L267-I307 PolarHBondContact N-O 2.95Å; L267-I307 PolarHBondContact O-N 2.87Å; L267-I345 HydrophobicContact CD2-CD1 4.1Å; L267-I345 HydrophobicContact CD2-CG1 4.41Å; L267-I345 HydrophobicContact CD2-CG2 3.93Å; L267-F347 HydrophobicContact CB-CE1 4.01Å; L267-F347 HydrophobicContact CB-CZ 3.81Å; L267-F347 HydrophobicContact CD2-CE1 3.96Å; L267-F347 HydrophobicContact CD2-CZ 4.26Å
268Q93.2Very high91.2Very high97 Ų9754.3 Ų54.345%0.45333%0.33SS..EExtended strand (participates in β ladder)trans-119.5119.4172173.665.272.100107.7T304Q268-T304 PolarHBondContact NE2-O 2.82Å
269L91.9Very high91Very high1 Ų157.2 Ų57.21%0.00534%0.34CS..  trans-86.7155171.8-61.4175.4000110.4L247 F252 L267 Y284 L300 G305 I307 V325 I345L247-L269 HydrophobicContact CD2-CB 4.42Å; F252-L269 HydrophobicContact CD2-CD2 3.92Å; F252-L269 HydrophobicContact CE1-CD2 4.47Å; F252-L269 HydrophobicContact CE2-CD2 3.42Å; F252-L269 VanDerWaalsContact CE2-CD2 3.42Å; F252-L269 HydrophobicContact CZ-CD2 3.73Å; L267-L269 HydrophobicContact CD2-CD2 4.03Å; L267-L269 HydrophobicContact CG-CD2 4.39Å; L269-Y284 HydrophobicContact CB-CD1 4.17Å; L269-Y284 HydrophobicContact CB-CE1 3.88Å; L269-Y284 HydrophobicContact CD1-CD1 4.3Å; L269-L300 HydrophobicContact CD1-CD1 4.41Å; L269-G305 PolarHBondContact N-O 2.93Å; L269-I307 HydrophobicContact CD1-CD1 4.28Å; L269-V325 HydrophobicContact CD1-CB 3.77Å; L269-V325 HydrophobicContact CD1-CG1 3.38Å; L269-V325 HydrophobicContact CD1-CG2 4.2Å; L269-I345 HydrophobicContact CD1-CD1 4.13Å; L269-I345 HydrophobicContact CD2-CD1 4.03Å
270N90.5Very high91.1Very high101 Ų10153.4 Ų53.454%0.5433%0.325SS..  trans-147.6112.6176-169.15.4000109.5A248A248-N270 PolarHBondContact N-O 3.3Å
271A89.8Confident91.1Very high7 Ų757 Ų576%0.05834%0.337CS..EExtended strand (participates in β ladder)trans-118.5147.1169.900000110P245 R246 L247 V282 Y284 A327P245-A271 HydrophobicContact CB-CB 4.35Å; R246-A271 VanDerWaalsContact O-CA 3.27Å; R246-A271 WeakPolarHBondContact O-CA 3.06Å; L247-A271 HydrophobicContact CB-CB 4.5Å; L247-A271 HydrophobicContact CD2-CB 3.7Å; L247-A271 HydrophobicContact CG-CB 3.9Å; A271-V282 HydrophobicContact CB-CG1 3.9Å; A271-Y284 HydrophobicContact CB-CE1 4.14Å; A271-Y284 PolarHBondContact N-OH 3.08Å; A271-A327 HydrophobicContact CB-CB 3.57Å
272T90.5Very high91.1Very high84 Ų8453.5 Ų53.552%0.51531%0.314SS..EExtended strand (participates in β ladder)trans-117.9132.4176.654.10000109.3R246R246-T272 PolarHBondContact N-O 3.47Å; R246-T272 PolarHBondContact O-N 2.96Å
273D91.3Very high91.1Very high23 Ų2350.4 Ų50.412%0.12329%0.294CS..  trans-109.1160.3158.5-148.7-46.4000108.6S244 P245 D275 V282S244-D273 VanDerWaalsContact CA-OD2 3.24Å; S244-D273 WeakPolarHBondContact CA-OD2 3.26Å; P245-D273 WeakPolarHBondContact CD-OD2 3.33Å; P245-D273 HydrophobicContact CG-CB 4.29Å; P245-D273 VanDerWaalsContact CG-OD2 3.28Å; P245-D273 WeakPolarHBondContact CG-OD2 3.22Å; D273-D275 PolarHBondContact OD1-N 2.87Å; D273-V282 HydrophobicContact CB-CG2 3.96Å
274I91.5Very high91.1Very high99 Ų9948.7 Ų48.751%0.50827%0.272SS..  trans-118-11.4-175.261.1175.8000113.6R210 E211 N243R210-I274 PolarHBondContact NH2-O 2.83Å; E211-I274 HydrophobicContact CB-CD1 4.24Å; E211-I274 HydrophobicContact CG-CB 4.21Å; E211-I274 HydrophobicContact CG-CD1 3.67Å; E211-I274 HydrophobicContact CG-CG1 3.72Å; N243-I274 HydrophobicContact CB-CG1 3.91Å
275D93Very high90.9Very high11 Ų1148 Ų486%0.05927%0.27CS..SBendtrans-59.9174.4169-63-2.9000111.4R210 N241 N243 D273 R279 G280R210-D275 VanDerWaalsContact NH2-C 3.34Å; N241-D275 VanDerWaalsContact CA-OD2 3.25Å; N241-D275 WeakPolarHBondContact CA-OD2 3.05Å; N243-D275 VanDerWaalsContact CB-OD1 3.22Å; N243-D275 WeakPolarHBondContact CB-OD1 3.44Å; N243-D275 PolarHBondContact N-OD1 3.08Å; N243-D275 PolarHBondContact ND2-OD1 2.98Å; D273-D275 PolarHBondContact OD1-N 2.87Å; D275-R279 HydrophobicContact CB-CB 3.71Å; D275-G280 WeakPolarHBondContact O-CA 3.37Å
276S89.5Confident90.8Very high60 Ų6046.7 Ų46.742%0.4226%0.259SS..  trans-104.9154.6-171.7-163.90000114.2D239 E278 R279 G280D239-S276 VanDerWaalsContact CG-CB 3.42Å; D239-S276 WeakPolarHBondContact OD1-CA 3.09Å; D239-S276 WeakPolarHBondContact OD1-CB 3.39Å; D239-S276 PolarHBondContact OD1-N 2.82Å; D239-S276 PolarHBondContact OD2-N 3.48Å; S276-E278 PolarHBondContact O-N 2.04Å; S276-R279 WeakPolarHBondContact O-CB 3.46Å; S276-R279 PolarHBondContact O-N 2.88Å; S276-G280 PolarHBondContact O-N 2.92Å
277G87.8Confident90.4Very high63 Ų6349.7 Ų49.765%0.64927%0.273SS*.THydrogen-bonded Turntrans57.7-122.9173.600000113.9R279 R281G277-R279 VanDerWaalsContact C-N 3.34Å; G277-R281 PolarHBondContact O-N 2.7Å
278E86.7Confident89.9Confident88 Ų8851.3 Ų51.341%0.41129%0.294SS..THydrogen-bonded Turntrans-79.1-13.6177.2-71.2-87.4112.900113.1S276 R281 A330S276-E278 PolarHBondContact O-N 2.04Å; E278-R281 WeakPolarHBondContact OE1-CD 3.46Å; E278-R281 IonicContact OE1-CZ 2.69Å; E278-R281 IonicContact OE1-NE 3.44Å; E278-R281 IonicContact OE1-NH1 2.62Å; E278-R281 PolarHBondContact OE1-NH1 3.48Å; E278-R281 IonicContact OE2-NH1 3.13Å; E278-A330 HydrophobicContact CB-CB 4.38Å; E278-A330 WeakPolarHBondContact O-CB 3.49Å; E278-A330 PolarHBondContact O-N 3.45Å
279R87.1Confident89.2Confident72 Ų7254.9 Ų54.927%0.27232%0.317SS..THydrogen-bonded Turntrans-76-48.4173.7-64.6171.5154.4170.3-17.5109.6D239 E240 N241 D275 S276 G277 R281 D329 V331D239-R279 PolarHBondContact O-NH1 2.83Å; D239-R279 WeakPolarHBondContact OD2-CD 3.33Å; D239-R279 IonicContact OD2-NH1 2.97Å; E240-R279 IonicContact OE2-CZ 2.56Å; E240-R279 IonicContact OE2-NH1 2.88Å; E240-R279 PolarHBondContact OE2-NH1 3.08Å; E240-R279 IonicContact OE2-NH2 2.61Å; E240-R279 PolarHBondContact OE2-NH2 3.42Å; N241-R279 HydrophobicContact CB-CB 4.38Å; N241-R279 HydrophobicContact CB-CG 4.03Å; N241-R279 WeakPolarHBondContact OD1-CB 3.35Å; N241-R279 WeakPolarHBondContact OD1-CG 3.4Å; D275-R279 HydrophobicContact CB-CB 3.71Å; S276-R279 WeakPolarHBondContact O-CB 3.46Å; S276-R279 PolarHBondContact O-N 2.88Å; G277-R279 VanDerWaalsContact C-N 3.34Å; R279-R281 PolarHBondContact O-N 3.14Å; R279-R281 VanDerWaalsContact O-N 3.08Å; R279-D329 VanDerWaalsContact O-CB 3.26Å; R279-D329 WeakPolarHBondContact O-CB 3.35Å; R279-V331 HydrophobicContact CG-CG2 3.78Å
280G88.3Confident88.6Confident20 Ų2058.1 Ų58.121%0.20633%0.333CS..SBendtrans-66.2-6169.400000116.1D275 S276 V282D275-G280 WeakPolarHBondContact O-CA 3.37Å; S276-G280 PolarHBondContact O-N 2.92Å; G280-V282 PolarHBondContact O-N 3.26Å
281R90.6Very high88.3Confident104 Ų10456.5 Ų56.539%0.39232%0.324SS..  trans-87.2102.3-174.4-177-176.7170.7-178.6-3111.3G277 E278 R279 D303 D329 A330G277-R281 PolarHBondContact O-N 2.7Å; E278-R281 WeakPolarHBondContact OE1-CD 3.46Å; E278-R281 IonicContact OE1-CZ 2.69Å; E278-R281 IonicContact OE1-NE 3.44Å; E278-R281 IonicContact OE1-NH1 2.62Å; E278-R281 PolarHBondContact OE1-NH1 3.48Å; E278-R281 IonicContact OE2-NH1 3.13Å; R279-R281 PolarHBondContact O-N 3.14Å; R279-R281 VanDerWaalsContact O-N 3.08Å; R281-D303 IonicContact CZ-OD1 2.8Å; R281-D303 IonicContact NE-OD1 3.23Å; R281-D303 IonicContact NH2-OD1 2.72Å; R281-D303 PolarHBondContact NH2-OD1 3.05Å; R281-D329 CarbonylContact O-C 3.54Å; R281-D329 WeakPolarHBondContact O-CA 3.22Å; R281-A330 HydrophobicContact CB-CB 4.01Å; R281-A330 HydrophobicContact CG-CB 4.16Å; R281-A330 PolarHBondContact O-N 2.85Å
282V90.5Very high88.1Confident21 Ų2160.1 Ų60.113%0.12735%0.349CS..EExtended strand (participates in β ladder)trans-69.5134.6175.2-174.20000112.4P245 A271 D273 G280 Y284 A327P245-V282 HydrophobicContact CB-CG1 4.1Å; P245-V282 HydrophobicContact CB-CG2 3.95Å; P245-V282 HydrophobicContact CG-CG2 4.25Å; A271-V282 HydrophobicContact CB-CG1 3.9Å; D273-V282 HydrophobicContact CB-CG2 3.96Å; G280-V282 PolarHBondContact O-N 3.26Å; V282-Y284 HydrophobicContact CG1-CE1 4.25Å; V282-Y284 HydrophobicContact CG1-CE2 4.02Å; V282-A327 HydrophobicContact CG1-CB 4.04Å
283M90.6Very high87.9Confident17 Ų1758 Ų588%0.08434%0.335CS..EExtended strand (participates in β ladder)trans-122.4163.4165.5-49.3-158.887.200109.8R302 D303 A327 C328 A330M283-R302 CarbonylContact C-O 3.2Å; M283-R302 WeakPolarHBondContact CA-O 3.36Å; M283-R302 HydrophobicContact CE-CG 4.26Å; M283-R302 PolarHBondContact SD-NH1 3.41Å; M283-D303 WeakPolarHBondContact CE-OD1 3.47Å; M283-A327 CarbonylContact O-C 3.59Å; M283-A327 WeakPolarHBondContact O-CA 3.36Å; M283-C328 PolarHBondContact N-O 2.73Å; M283-C328 PolarHBondContact O-N 2.74Å; M283-C328 PolarHBondContact O-SG 3.38Å; M283-A330 HydrophobicContact CG-CB 4.17Å; M283-A330 HydrophobicContact SD-CB 4.14Å
284Y91.9Very high87.9Confident13 Ų1357.2 Ų57.25%0.05133%0.331CS..EExtended strand (participates in β ladder)trans-125.4146.6-179.6-56.5-93.8000111.9L247 L269 A271 V282 R302 G305 I326 A327L247-Y284 HydrophobicContact CD2-CE1 4.14Å; L269-Y284 HydrophobicContact CB-CD1 4.17Å; L269-Y284 HydrophobicContact CB-CE1 3.88Å; L269-Y284 HydrophobicContact CD1-CD1 4.3Å; A271-Y284 HydrophobicContact CB-CE1 4.14Å; A271-Y284 PolarHBondContact N-OH 3.08Å; V282-Y284 HydrophobicContact CG1-CE1 4.25Å; V282-Y284 HydrophobicContact CG1-CE2 4.02Å; Y284-R302 PolarHBondContact N-O 3.31Å; Y284-R302 WeakPolarHBondContact O-CG 3.46Å; Y284-G305 VanDerWaalsContact CD2-N 3.3Å; Y284-I326 CarbonylContact C-O 3.45Å; Y284-I326 WeakPolarHBondContact CA-O 3.33Å; Y284-A327 HydrophobicContact CD1-CB 4.26Å; Y284-A327 HydrophobicContact CE1-CB 4.25Å
285S90.8Very high87.8Confident40 Ų4055 Ų5528%0.2832%0.322SS..EExtended strand (participates in β ladder)trans-146.4147.9173.8-174.90000111.9L300 V325 I326S285-L300 VanDerWaalsContact C-CD2 3.45Å; S285-V325 CarbonylContact O-C 3.52Å; S285-V325 WeakPolarHBondContact O-CA 3.28Å; S285-V325 WeakPolarHBondContact O-CG1 3.35Å; S285-I326 PolarHBondContact N-O 2.79Å; S285-I326 PolarHBondContact O-N 3.34Å
286F91.4Very high87.6Confident32 Ų3258 Ų5814%0.1434%0.335CS..EExtended strand (participates in β ladder)trans-58.4146.9162.8-66-68.9000109.8I290 L294 T295 L300 F323 V325F286-I290 HydrophobicContact CB-CD1 3.54Å; F286-I290 HydrophobicContact CB-CG1 3.97Å; F286-L294 HydrophobicContact CD1-CD2 3.75Å; F286-L294 HydrophobicContact CE1-CD2 3.67Å; F286-L294 HydrophobicContact CE1-CG 4.15Å; F286-L294 HydrophobicContact CG-CD2 4.49Å; F286-L294 HydrophobicContact CZ-CD2 4.36Å; F286-L294 HydrophobicContact CZ-CG 4.49Å; F286-T295 HydrophobicContact CD2-CG2 4.42Å; F286-T295 HydrophobicContact CE2-CG2 4.47Å; F286-L300 HydrophobicContact CD1-CD2 4.45Å; F286-L300 HydrophobicContact CD2-CB 4.21Å; F286-L300 HydrophobicContact CD2-CD2 4.38Å; F286-L300 HydrophobicContact CE1-CB 4.24Å; F286-L300 HydrophobicContact CE2-CB 3.64Å; F286-L300 HydrophobicContact CG-CD2 4.32Å; F286-L300 HydrophobicContact CZ-CB 3.66Å; F286-F323 AromaticContact CD1-CD2 3.89Å; F286-F323 HydrophobicContact CD1-CD2 3.89Å; F286-F323 HydrophobicContact CD1-CE2 4.2Å; F286-F323 AromaticContact CE1-CD2 3.82Å; F286-F323 HydrophobicContact CE1-CD2 3.82Å; F286-F323 AromaticContact CE1-CE2 3.72Å; F286-F323 HydrophobicContact CE1-CE2 3.72Å; F286-V325 HydrophobicContact CD1-CG2 3.94Å; F286-V325 HydrophobicContact CE1-CG2 4.34Å
287H87.6Confident87.8Confident69 Ų6955.3 Ų55.332%0.31932%0.317SS..EExtended strand (participates in β ladder)trans-135.8148.8-171-176.288.1000112.2K324 I326H287-K324 HydrophobicContact CB-CB 4.16Å; H287-K324 PolarHBondContact N-O 2.86Å; H287-I326 HydrophobicContact CB-CB 3.89Å; H287-I326 HydrophobicContact CB-CG2 3.92Å
288G83.2Confident88.1Confident55 Ų5552.4 Ų52.457%0.56729%0.286SS*.SBendtrans82.3-151.3-178.100000112.8
289N79.5Confident88.5Confident172 Ų17252.1 Ų52.192%0.9229%0.285SS*.SBendtrans-81.8117174.5-169.729000109.3
290I79.5Confident88.8Confident70 Ų7049.8 Ų49.836%0.35928%0.278SS..PPolyproline II helixtrans-102.8119.5-171.2-57.9162.3000108.9F286 L294 T295F286-I290 HydrophobicContact CB-CD1 3.54Å; F286-I290 HydrophobicContact CB-CG1 3.97Å; I290-L294 HydrophobicContact CG2-CD2 4.22Å; I290-T295 HydrophobicContact CG2-CG2 3.45Å; I290-T295 VanDerWaalsContact CG2-CG2 3.45Å
291D82.3Confident89.1Confident66 Ų6650.3 Ų50.335%0.35328%0.277SS..PPolyproline II helixtrans-63.3133.8171-170.5-27.3000110.1D293 L294 R318D291-D293 VanDerWaalsContact C-N 3.28Å; D291-D293 PolarHBondContact O-N 2.95Å; D291-D293 WeakPolarHBondContact OD1-CB 3.07Å; D291-D293 PolarHBondContact OD1-N 3.31Å; D291-L294 HydrophobicContact CB-CB 4.25Å; D291-L294 WeakPolarHBondContact O-CB 3.36Å; D291-L294 PolarHBondContact O-N 2.86Å; D291-L294 VanDerWaalsContact O-N 3.15Å; D291-R318 IonicContact OD1-NH1 2.73Å; D291-R318 IonicContact OD2-CZ 3.62Å; D291-R318 VanDerWaalsContact OD2-CZ 3.23Å; D291-R318 IonicContact OD2-NH1 2.54Å; D291-R318 PolarHBondContact OD2-NH1 3.31Å; D291-R318 IonicContact OD2-NH2 2.83Å; D291-R318 PolarHBondContact OD2-NH2 2.72Å
292S85.5Confident89.1Confident83 Ų8349.8 Ų49.858%0.5828%0.275SS*.Hα-helixtrans-60.8-39.5178.451.90000111.8L294 T295 E296S292-L294 PolarHBondContact O-N 2.85Å; S292-T295 PolarHBondContact O-N 2.73Å; S292-T295 VanDerWaalsContact O-N 3.09Å; S292-T295 PolarHBondContact O-OG1 2.96Å; S292-E296 WeakPolarHBondContact O-CG 3.4Å; S292-E296 PolarHBondContact O-N 2.74Å
293D87.7Confident89.1Confident39 Ų3952.7 Ų52.721%0.20929%0.29CS..Hα-helixtrans-59.1-36.1177.2172.734.4000111.5D291 T295 E296 T297 R318 Y321D291-D293 VanDerWaalsContact C-N 3.28Å; D291-D293 PolarHBondContact O-N 2.95Å; D291-D293 WeakPolarHBondContact OD1-CB 3.07Å; D291-D293 PolarHBondContact OD1-N 3.31Å; D293-T295 PolarHBondContact O-N 2.92Å; D293-E296 PolarHBondContact O-N 2.95Å; D293-T297 WeakPolarHBondContact O-CB 3.39Å; D293-T297 PolarHBondContact O-N 2.9Å; D293-T297 PolarHBondContact O-OG1 3.49Å; D293-T297 PolarHBondContact OD1-OG1 3.45Å; D293-R318 WeakPolarHBondContact OD2-CD 3.47Å; D293-R318 IonicContact OD2-CZ 3.44Å; D293-R318 IonicContact OD2-NE 3.9Å; D293-R318 IonicContact OD2-NH1 3.21Å; D293-R318 PolarHBondContact OD2-NH1 2.82Å; D293-Y321 WeakPolarHBondContact OD2-CE1 3.3Å; D293-Y321 PolarHBondContact OD2-OH 2.93Å
294L91.2Very high89.2Confident8 Ų854.9 Ų54.94%0.04230%0.304CS..Hα-helixtrans-58.7-46.6174.9-174.178.8000111.9F286 I290 D291 S292 E296 F298 Y321 F323F286-L294 HydrophobicContact CD1-CD2 3.75Å; F286-L294 HydrophobicContact CE1-CD2 3.67Å; F286-L294 HydrophobicContact CE1-CG 4.15Å; F286-L294 HydrophobicContact CG-CD2 4.49Å; F286-L294 HydrophobicContact CZ-CD2 4.36Å; F286-L294 HydrophobicContact CZ-CG 4.49Å; I290-L294 HydrophobicContact CG2-CD2 4.22Å; D291-L294 HydrophobicContact CB-CB 4.25Å; D291-L294 WeakPolarHBondContact O-CB 3.36Å; D291-L294 PolarHBondContact O-N 2.86Å; D291-L294 VanDerWaalsContact O-N 3.15Å; S292-L294 PolarHBondContact O-N 2.85Å; L294-E296 VanDerWaalsContact C-N 3.28Å; L294-E296 PolarHBondContact O-N 2.97Å; L294-F298 HydrophobicContact CD1-CD2 3.95Å; L294-F298 PolarHBondContact O-N 3.49Å; L294-Y321 HydrophobicContact CD1-CD1 3.96Å; L294-F323 HydrophobicContact CD1-CB 4.17Å; L294-F323 HydrophobicContact CD1-CD1 3.38Å; L294-F323 HydrophobicContact CD1-CD2 4.28Å; L294-F323 HydrophobicContact CD1-CE1 3.68Å; L294-F323 HydrophobicContact CD1-CG 3.71Å; L294-F323 HydrophobicContact CD1-CZ 4.22Å; L294-F323 HydrophobicContact CD2-CB 3.45Å; L294-F323 VanDerWaalsContact CD2-CB 3.45Å; L294-F323 HydrophobicContact CD2-CD1 4.19Å; L294-F323 HydrophobicContact CD2-CD2 3.84Å; L294-F323 HydrophobicContact CD2-CG 3.59Å; L294-F323 HydrophobicContact CG-CB 4.46Å; L294-F323 HydrophobicContact CG-CD1 4.42Å; L294-F323 HydrophobicContact CG-CG 4.29Å
295T88.6Confident89.2Confident52 Ų5254.2 Ų54.232%0.31930%0.302SS..Hα-helixtrans-74.9-19.2-178.664.40000113.7F286 I290 S292 D293 R310F286-T295 HydrophobicContact CD2-CG2 4.42Å; F286-T295 HydrophobicContact CE2-CG2 4.47Å; I290-T295 HydrophobicContact CG2-CG2 3.45Å; I290-T295 VanDerWaalsContact CG2-CG2 3.45Å; S292-T295 PolarHBondContact O-N 2.73Å; S292-T295 VanDerWaalsContact O-N 3.09Å; S292-T295 PolarHBondContact O-OG1 2.96Å; D293-T295 PolarHBondContact O-N 2.92Å; T295-R310 PolarHBondContact O-NH1 2.76Å
296E90Very high89.5Confident73 Ų7354.2 Ų54.234%0.34130%0.297SS..Hα-helixtrans-88.2-33175.4-68.4-160.6160.900112.3S292 D293 L294 R311S292-E296 WeakPolarHBondContact O-CG 3.4Å; S292-E296 PolarHBondContact O-N 2.74Å; D293-E296 PolarHBondContact O-N 2.95Å; L294-E296 VanDerWaalsContact C-N 3.28Å; L294-E296 PolarHBondContact O-N 2.97Å; E296-R311 VanDerWaalsContact CD-NH2 3.28Å; E296-R311 WeakPolarHBondContact O-CD 2.93Å; E296-R311 WeakPolarHBondContact O-CG 3.37Å; E296-R311 IonicContact OE1-NH2 2.67Å; E296-R311 IonicContact OE2-CZ 3.22Å; E296-R311 IonicContact OE2-NH1 2.68Å; E296-R311 PolarHBondContact OE2-NH1 2.7Å; E296-R311 IonicContact OE2-NH2 3Å; E296-R311 PolarHBondContact OE2-NH2 3.07Å
297T92.6Very high89.6Confident5 Ų552.7 Ų52.73%0.03129%0.29CS..Hα-helixtrans-90.4-29.8-179.1-63.40000113.1D293 L309 R310 R311 L313 Y321D293-T297 WeakPolarHBondContact O-CB 3.39Å; D293-T297 PolarHBondContact O-N 2.9Å; D293-T297 PolarHBondContact O-OG1 3.49Å; D293-T297 PolarHBondContact OD1-OG1 3.45Å; T297-L309 HydrophobicContact CG2-CD1 4.26Å; T297-R310 WeakPolarHBondContact O-CA 3.45Å; T297-R310 WeakPolarHBondContact O-CB 3.17Å; T297-R310 PolarHBondContact O-N 3.21Å; T297-R311 PolarHBondContact O-N 3.36Å; T297-L313 HydrophobicContact CG2-CD2 3.69Å; T297-Y321 HydrophobicContact CG2-CE1 4.32Å
298F94.7Very high90Very high1 Ų151.8 Ų51.80%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-126.2144.1177.4-60.4-81.9000113.3L256 V266 L294 I307 K308 L309 L313 Y321 F347L256-F298 HydrophobicContact CD1-CE1 3.99Å; L256-F298 HydrophobicContact CD1-CZ 4.04Å; V266-F298 HydrophobicContact CG2-CD1 3.97Å; V266-F298 HydrophobicContact CG2-CE1 3.94Å; L294-F298 HydrophobicContact CD1-CD2 3.95Å; L294-F298 PolarHBondContact O-N 3.49Å; F298-I307 HydrophobicContact CB-CG2 4.04Å; F298-I307 HydrophobicContact CD1-CG2 4.11Å; F298-I307 HydrophobicContact CG-CG2 4.36Å; F298-K308 CarbonylContact C-O 3.52Å; F298-K308 WeakPolarHBondContact CA-O 3.13Å; F298-L309 HydrophobicContact CD1-CD1 4.06Å; F298-L309 HydrophobicContact CE1-CD1 3.61Å; F298-L309 HydrophobicContact CZ-CD1 4.15Å; F298-L313 HydrophobicContact CE1-CD2 4.48Å; F298-L313 HydrophobicContact CE2-CD2 4.4Å; F298-L313 HydrophobicContact CZ-CD2 3.79Å; F298-Y321 HydrophobicContact CD2-CD1 4.35Å; F298-Y321 AromaticContact CE2-CD1 3.82Å; F298-Y321 HydrophobicContact CE2-CD1 3.82Å; F298-Y321 AromaticContact CE2-CD2 3.88Å; F298-Y321 HydrophobicContact CE2-CD2 3.88Å; F298-Y321 AromaticContact CE2-CE1 3.98Å; F298-Y321 HydrophobicContact CE2-CE1 3.98Å; F298-Y321 HydrophobicContact CE2-CE2 4.06Å; F298-Y321 AromaticContact CE2-CG 3.77Å; F298-Y321 HydrophobicContact CE2-CG 3.77Å; F298-Y321 HydrophobicContact CZ-CD2 4.34Å; F298-F347 HydrophobicContact CD1-CD2 4.25Å; F298-F347 AromaticContact CD1-CE2 3.97Å; F298-F347 HydrophobicContact CD1-CE2 3.97Å; F298-F347 AromaticContact CE1-CD2 3.68Å; F298-F347 HydrophobicContact CE1-CD2 3.68Å; F298-F347 AromaticContact CE1-CE2 3.79Å; F298-F347 HydrophobicContact CE1-CE2 3.79Å; F298-F347 HydrophobicContact CE2-CD2 4.06Å; F298-F347 HydrophobicContact CG-CE2 4.47Å; F298-F347 AromaticContact CZ-CD2 3.58Å; F298-F347 HydrophobicContact CZ-CD2 3.58Å; F298-F347 HydrophobicContact CZ-CE2 4.14Å
299E94.1Very high90.6Very high82 Ų8249.2 Ų49.238%0.38326%0.259SS..EExtended strand (participates in β ladder)trans-112.3114.4175-176.8177.6148.400109.6I307 K308 R310E299-I307 WeakPolarHBondContact O-CA 3.39Å; E299-K308 HydrophobicContact CB-CB 4.4Å; E299-K308 PolarHBondContact N-O 2.85Å; E299-K308 PolarHBondContact O-N 2.83Å; E299-R310 HydrophobicContact CB-CB 4.35Å
300L94.6Very high91.2Very high24 Ų2447.5 Ų47.513%0.12624%0.239CC..EExtended strand (participates in β ladder)trans-88.7115.6169.6174.166.9000109.4L269 S285 F286 R302 I307 V325L269-L300 HydrophobicContact CD1-CD1 4.41Å; S285-L300 VanDerWaalsContact C-CD2 3.45Å; F286-L300 HydrophobicContact CD1-CD2 4.45Å; F286-L300 HydrophobicContact CD2-CB 4.21Å; F286-L300 HydrophobicContact CD2-CD2 4.38Å; F286-L300 HydrophobicContact CE1-CB 4.24Å; F286-L300 HydrophobicContact CE2-CB 3.64Å; F286-L300 HydrophobicContact CG-CD2 4.32Å; F286-L300 HydrophobicContact CZ-CB 3.66Å; L300-R302 PolarHBondContact O-N 2.85Å; L300-I307 HydrophobicContact CD1-CD1 4.48Å; L300-I307 HydrophobicContact CD1-CG1 3.71Å; L300-V325 HydrophobicContact CD1-CG1 4.35Å; L300-V325 HydrophobicContact CD2-CG1 3.71Å; L300-V325 HydrophobicContact CD2-CG2 4.05Å
301V94Very high91.7Very high31 Ų3149.5 Ų49.519%0.18824%0.242CC..  trans-79.5112.4179.8-177.70000109.7D303 T304 G305 E306 K308V301-D303 VanDerWaalsContact C-N 3.33Å; V301-D303 PolarHBondContact O-N 3.25Å; V301-T304 VanDerWaalsContact CB-OG1 3.28Å; V301-T304 WeakPolarHBondContact CB-OG1 3.23Å; V301-T304 HydrophobicContact CG1-CG2 4.16Å; V301-T304 WeakPolarHBondContact CG1-OG1 3.38Å; V301-T304 PolarHBondContact O-N 3.02Å; V301-G305 PolarHBondContact O-N 2.94Å; V301-E306 HydrophobicContact CB-CB 4.2Å; V301-E306 HydrophobicContact CG2-CB 4.09Å; V301-E306 PolarHBondContact N-O 2.9Å; V301-K308 HydrophobicContact CG2-CD 3.86Å
302R91.6Very high92Very high92 Ų9251 Ų5135%0.34726%0.256SS..THydrogen-bonded Turntrans-57.9-37.3-165.7-148.4-168.3-171.1-1411.5114.8M283 Y284 L300 R333 C335M283-R302 CarbonylContact C-O 3.2Å; M283-R302 WeakPolarHBondContact CA-O 3.36Å; M283-R302 HydrophobicContact CE-CG 4.26Å; M283-R302 PolarHBondContact SD-NH1 3.41Å; Y284-R302 PolarHBondContact N-O 3.31Å; Y284-R302 WeakPolarHBondContact O-CG 3.46Å; L300-R302 PolarHBondContact O-N 2.85Å; R302-R333 PolarHBondContact NH2-O 3.17Å; R302-C335 PolarHBondContact NH2-SG 2.81Å
303D90.4Very high92.3Very high83 Ų8347.6 Ų47.644%0.44423%0.231SC..THydrogen-bonded Turntrans-91-23.1-176.5-66.5-85.6000114R281 M283 V301R281-D303 IonicContact CZ-OD1 2.8Å; R281-D303 IonicContact NE-OD1 3.23Å; R281-D303 IonicContact NH2-OD1 2.72Å; R281-D303 PolarHBondContact NH2-OD1 3.05Å; M283-D303 WeakPolarHBondContact CE-OD1 3.47Å; V301-D303 VanDerWaalsContact C-N 3.33Å; V301-D303 PolarHBondContact O-N 3.25Å
304T92.2Very high92.2Very high62 Ų6247 Ų4738%0.3823%0.232SC..THydrogen-bonded Turntrans-105.3-25.1-174.463.60000113.5Q268 V301 E306Q268-T304 PolarHBondContact NE2-O 2.82Å; V301-T304 VanDerWaalsContact CB-OG1 3.28Å; V301-T304 WeakPolarHBondContact CB-OG1 3.23Å; V301-T304 HydrophobicContact CG1-CG2 4.16Å; V301-T304 WeakPolarHBondContact CG1-OG1 3.38Å; V301-T304 PolarHBondContact O-N 3.02Å; T304-E306 VanDerWaalsContact C-N 3.25Å; T304-E306 PolarHBondContact O-N 2.98Å; T304-E306 WeakPolarHBondContact OG1-CG 3.4Å; T304-E306 PolarHBondContact OG1-N 3.49Å; T304-E306 PolarHBondContact OG1-OE2 3.42Å
305G92.1Very high91.9Very high0 Ų047.1 Ų47.10%023%0.233CC..  trans75.710.7-171.700000114.1L269 Y284 V301L269-G305 PolarHBondContact N-O 2.93Å; Y284-G305 VanDerWaalsContact CD2-N 3.3Å; V301-G305 PolarHBondContact O-N 2.94Å
306E95.6Very high91.6Very high39 Ų3947.7 Ų47.718%0.18224%0.235CC..EExtended strand (participates in β ladder)trans-68.7130.7168.8-65.9165.410600110V265 V301 T304 K308V265-E306 HydrophobicContact CG1-CB 4.22Å; V265-E306 HydrophobicContact CG1-CG 4.29Å; V265-E306 HydrophobicContact CG2-CB 4.39Å; V265-E306 HydrophobicContact CG2-CG 4.29Å; V265-E306 WeakPolarHBondContact CG2-OE1 3.29Å; V301-E306 HydrophobicContact CB-CB 4.2Å; V301-E306 HydrophobicContact CG2-CB 4.09Å; V301-E306 PolarHBondContact N-O 2.9Å; T304-E306 VanDerWaalsContact C-N 3.25Å; T304-E306 PolarHBondContact O-N 2.98Å; T304-E306 WeakPolarHBondContact OG1-CG 3.4Å; T304-E306 PolarHBondContact OG1-N 3.49Å; T304-E306 PolarHBondContact OG1-OE2 3.42Å; E306-K308 HydrophobicContact CB-CG 4.47Å; E306-K308 VanDerWaalsContact CD-CE 3.44Å; E306-K308 WeakPolarHBondContact OE1-CE 3.4Å; E306-K308 IonicContact OE1-NZ 3.21Å; E306-K308 PolarHBondContact OE1-NZ 3.27Å; E306-K308 IonicContact OE2-NZ 2.69Å; E306-K308 PolarHBondContact OE2-NZ 2.81Å
307I95.5Very high91.4Very high0 Ų051.1 Ų51.10%025%0.254CS..EExtended strand (participates in β ladder)trans-101115.2163.7-59.2170.5000107V265 V266 L267 L269 F298 E299 L300 F323 V325 I345 F347V265-I307 CarbonylContact C-O 3.59Å; V265-I307 WeakPolarHBondContact CA-O 3.16Å; V266-I307 HydrophobicContact CG2-CB 4.22Å; V266-I307 HydrophobicContact CG2-CG2 3.82Å; V266-I307 VanDerWaalsContact CG2-O 3.24Å; V266-I307 WeakPolarHBondContact CG2-O 3.38Å; V266-I307 PolarHBondContact N-O 2.84Å; L267-I307 HydrophobicContact CB-CB 4.45Å; L267-I307 HydrophobicContact CB-CD1 4.41Å; L267-I307 HydrophobicContact CD2-CD1 4.31Å; L267-I307 PolarHBondContact N-O 2.95Å; L267-I307 PolarHBondContact O-N 2.87Å; L269-I307 HydrophobicContact CD1-CD1 4.28Å; F298-I307 HydrophobicContact CB-CG2 4.04Å; F298-I307 HydrophobicContact CD1-CG2 4.11Å; F298-I307 HydrophobicContact CG-CG2 4.36Å; E299-I307 WeakPolarHBondContact O-CA 3.39Å; L300-I307 HydrophobicContact CD1-CD1 4.48Å; L300-I307 HydrophobicContact CD1-CG1 3.71Å; I307-F323 HydrophobicContact CD1-CE2 3.96Å; I307-F323 HydrophobicContact CD1-CZ 4.1Å; I307-V325 HydrophobicContact CD1-CG2 4.46Å; I307-I345 HydrophobicContact CD1-CD1 3.65Å; I307-F347 HydrophobicContact CD1-CZ 4.25Å; I307-F347 HydrophobicContact CG2-CE2 3.91Å; I307-F347 HydrophobicContact CG2-CZ 4.1Å
308K94.7Very high91.1Very high50 Ų5054 Ų5422%0.21726%0.264CS..EExtended strand (participates in β ladder)trans-106.3144.1-178.2-76.1166.6177156.70110.8T264 V265 F298 E299 V301 E306T264-K308 CarbonylContact O-C 3.54Å; T264-K308 WeakPolarHBondContact O-CA 3.42Å; V265-K308 HydrophobicContact CB-CG 4.5Å; V265-K308 HydrophobicContact CG2-CD 4.3Å; V265-K308 VanDerWaalsContact CG2-CE 3.46Å; V265-K308 HydrophobicContact CG2-CG 3.75Å; F298-K308 CarbonylContact C-O 3.52Å; F298-K308 WeakPolarHBondContact CA-O 3.13Å; E299-K308 HydrophobicContact CB-CB 4.4Å; E299-K308 PolarHBondContact N-O 2.85Å; E299-K308 PolarHBondContact O-N 2.83Å; V301-K308 HydrophobicContact CG2-CD 3.86Å; E306-K308 HydrophobicContact CB-CG 4.47Å; E306-K308 VanDerWaalsContact CD-CE 3.44Å; E306-K308 WeakPolarHBondContact OE1-CE 3.4Å; E306-K308 IonicContact OE1-NZ 3.21Å; E306-K308 PolarHBondContact OE1-NZ 3.27Å; E306-K308 IonicContact OE2-NZ 2.69Å; E306-K308 PolarHBondContact OE2-NZ 2.81Å
309L95.2Very high90.7Very high2 Ų259.3 Ų59.31%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-74.5124.1172.9-173.467.2000109.9I260 G263 T264 V266 T297 F298 R311 L313I260-L309 HydrophobicContact CB-CD2 4.03Å; I260-L309 HydrophobicContact CG2-CD2 3.7Å; I260-L309 VanDerWaalsContact O-CD2 3.31Å; I260-L309 WeakPolarHBondContact O-CD2 3.35Å; G263-L309 PolarHBondContact N-O 3.27Å; T264-L309 PolarHBondContact O-N 3.31Å; V266-L309 HydrophobicContact CG1-CB 4.23Å; T297-L309 HydrophobicContact CG2-CD1 4.26Å; F298-L309 HydrophobicContact CD1-CD1 4.06Å; F298-L309 HydrophobicContact CE1-CD1 3.61Å; F298-L309 HydrophobicContact CZ-CD1 4.15Å; L309-R311 WeakPolarHBondContact CD1-O 3.25Å; L309-R311 WeakPolarHBondContact CG-O 3.33Å; L309-L313 HydrophobicContact CD1-CD1 4.26Å; L309-L313 HydrophobicContact CD1-CD2 3.67Å; L309-L313 HydrophobicContact CD1-CG 3.73Å; L309-L313 HydrophobicContact CD2-CG 4.27Å
310R92.3Very high90.6Very high136 Ų13657.4 Ų57.451%0.51329%0.288SS..  trans-106.4-26-172.3-168.2-177.3-176.1-164.81.4113.5V262 T295 T297 E299V262-R310 WeakPolarHBondContact CG1-O 3.28Å; T295-R310 PolarHBondContact O-NH1 2.76Å; T297-R310 WeakPolarHBondContact O-CA 3.45Å; T297-R310 WeakPolarHBondContact O-CB 3.17Å; T297-R310 PolarHBondContact O-N 3.21Å; E299-R310 HydrophobicContact CB-CB 4.35Å
311R90.6Very high90.5Very high111 Ų11156.8 Ų56.842%0.41928%0.284SS..SBendtrans-130.6159.6170.8-72.9178.3175.2169.46.4109.8E296 T297 L309E296-R311 VanDerWaalsContact CD-NH2 3.28Å; E296-R311 WeakPolarHBondContact O-CD 2.93Å; E296-R311 WeakPolarHBondContact O-CG 3.37Å; E296-R311 IonicContact OE1-NH2 2.67Å; E296-R311 IonicContact OE2-CZ 3.22Å; E296-R311 IonicContact OE2-NH1 2.68Å; E296-R311 PolarHBondContact OE2-NH1 2.7Å; E296-R311 IonicContact OE2-NH2 3Å; E296-R311 PolarHBondContact OE2-NH2 3.07Å; T297-R311 PolarHBondContact O-N 3.36Å; L309-R311 WeakPolarHBondContact CD1-O 3.25Å; L309-R311 WeakPolarHBondContact CG-O 3.33Å
312P89.1Confident90.5Very high99 Ų9962.5 Ų62.564%0.64331%0.309SS*.  trans-55.5146.9167.9-21.133.6000110.8V262V262-P312 HydrophobicContact CG2-CG 4.02Å
313L90.7Very high90.5Very high11 Ų1159 Ų596%0.05830%0.296CS..  trans-85.2159.1168.1-60.5172.9000109.3L256 E258 T297 F298 L309 Y321 V349L256-L313 HydrophobicContact CB-CD1 3.75Å; L256-L313 HydrophobicContact CD1-CD1 4.05Å; E258-L313 HydrophobicContact CB-CB 4.1Å; T297-L313 HydrophobicContact CG2-CD2 3.69Å; F298-L313 HydrophobicContact CE1-CD2 4.48Å; F298-L313 HydrophobicContact CE2-CD2 4.4Å; F298-L313 HydrophobicContact CZ-CD2 3.79Å; L309-L313 HydrophobicContact CD1-CD1 4.26Å; L309-L313 HydrophobicContact CD1-CD2 3.67Å; L309-L313 HydrophobicContact CD1-CG 3.73Å; L309-L313 HydrophobicContact CD2-CG 4.27Å; L313-Y321 HydrophobicContact CD2-CE2 4.18Å; L313-V349 HydrophobicContact CB-CG1 4.17Å; L313-V349 HydrophobicContact CD1-CG1 4.39Å; L313-V349 HydrophobicContact CD1-CG2 4.36Å
314A87.2Confident90.6Very high27 Ų2759 Ų5922%0.22329%0.292CS..  trans-148.4109173.500000108.5E258 N316 I317 R318E258-A314 WeakPolarHBondContact OE2-CA 3.37Å; A314-N316 WeakPolarHBondContact CB-OD1 3.48Å; A314-N316 PolarHBondContact O-N 2.82Å; A314-I317 HydrophobicContact CB-CB 4.2Å; A314-I317 HydrophobicContact CB-CD1 3.93Å; A314-I317 HydrophobicContact CB-CG1 4.01Å; A314-I317 PolarHBondContact O-N 3.48Å; A314-R318 PolarHBondContact O-N 2.84Å
315A85Confident90.6Very high9 Ų956 Ų567%0.07427%0.274CS..THydrogen-bonded Turntrans-62.7-31.9-172.500000112.2E258 I317 V349 D351E258-A315 PolarHBondContact OE2-N 2.64Å; A315-I317 VanDerWaalsContact C-N 3.35Å; A315-V349 HydrophobicContact CB-CB 4.47Å; A315-V349 HydrophobicContact CB-CG1 3.92Å; A315-D351 HydrophobicContact CB-CB 3.98Å
316N81.6Confident90.6Very high65 Ų6556.1 Ų56.135%0.34828%0.275SS..THydrogen-bonded Turntrans-71.9-20.617663.7-1.2000114.6A314 F355 D419 T421A314-N316 WeakPolarHBondContact CB-OD1 3.48Å; A314-N316 PolarHBondContact O-N 2.82Å; N316-F355 WeakPolarHBondContact ND2-CE2 3.24Å; N316-D419 WeakPolarHBondContact CB-O 3.43Å; N316-D419 PolarHBondContact ND2-O 2.8Å; N316-T421 HydrophobicContact CB-CG2 4.06Å
317I84.9Confident90.4Very high144 Ų14454.3 Ų54.374%0.73827%0.266SS*.THydrogen-bonded Turntrans-89.7-45.9173.2-61.9179.4000110.1A314 A315A314-I317 HydrophobicContact CB-CB 4.2Å; A314-I317 HydrophobicContact CB-CD1 3.93Å; A314-I317 HydrophobicContact CB-CG1 4.01Å; A314-I317 PolarHBondContact O-N 3.48Å; A315-I317 VanDerWaalsContact C-N 3.35Å
318R86Confident90.1Very high66 Ų6654.5 Ų54.525%0.24927%0.268CS..  trans-154.1113.8-178.4-169.6164.8-174.9159.810.5112.2D291 D293 A314 S320 Y321 V349D291-R318 IonicContact OD1-NH1 2.73Å; D291-R318 IonicContact OD2-CZ 3.62Å; D291-R318 VanDerWaalsContact OD2-CZ 3.23Å; D291-R318 IonicContact OD2-NH1 2.54Å; D291-R318 PolarHBondContact OD2-NH1 3.31Å; D291-R318 IonicContact OD2-NH2 2.83Å; D291-R318 PolarHBondContact OD2-NH2 2.72Å; D293-R318 WeakPolarHBondContact OD2-CD 3.47Å; D293-R318 IonicContact OD2-CZ 3.44Å; D293-R318 IonicContact OD2-NE 3.9Å; D293-R318 IonicContact OD2-NH1 3.21Å; D293-R318 PolarHBondContact OD2-NH1 2.82Å; A314-R318 PolarHBondContact O-N 2.84Å; R318-S320 WeakPolarHBondContact CG-O 3.33Å; R318-S320 PolarHBondContact NE-O 2.9Å; R318-Y321 HydrophobicContact CB-CE2 4.28Å; R318-Y321 HydrophobicContact CG-CD2 4.42Å; R318-Y321 HydrophobicContact CG-CE2 4Å; R318-V349 WeakPolarHBondContact O-CG2 3.41Å
319D87.6Confident89.8Confident112 Ų11252.5 Ų52.560%0.59926%0.259SS*.SBendtrans-81.6-18.5178.968.7-23.1000113.6T348 V349D319-T348 CarbonylContact O-C 3.52Å; D319-T348 WeakPolarHBondContact O-CA 3.05Å; D319-V349 PolarHBondContact O-N 2.72Å
320S92.3Very high89.2Confident42 Ų4252.5 Ų52.529%0.29426%0.26SS..EExtended strand (participates in β ladder)trans-147.7136.1-173.5-170.10000114.7R318 F347R318-S320 WeakPolarHBondContact CG-O 3.33Å; R318-S320 PolarHBondContact NE-O 2.9Å; S320-F347 WeakPolarHBondContact CA-O 3.34Å
321Y92.9Very high88.8Confident11 Ų1150.1 Ų50.14%0.04326%0.26CS..EExtended strand (participates in β ladder)trans-120.5116169.3-64.9-98.7000109.3D293 L294 T297 F298 L313 R318 T346 F347 V349D293-Y321 WeakPolarHBondContact OD2-CE1 3.3Å; D293-Y321 PolarHBondContact OD2-OH 2.93Å; L294-Y321 HydrophobicContact CD1-CD1 3.96Å; T297-Y321 HydrophobicContact CG2-CE1 4.32Å; F298-Y321 HydrophobicContact CD2-CD1 4.35Å; F298-Y321 AromaticContact CE2-CD1 3.82Å; F298-Y321 HydrophobicContact CE2-CD1 3.82Å; F298-Y321 AromaticContact CE2-CD2 3.88Å; F298-Y321 HydrophobicContact CE2-CD2 3.88Å; F298-Y321 AromaticContact CE2-CE1 3.98Å; F298-Y321 HydrophobicContact CE2-CE1 3.98Å; F298-Y321 HydrophobicContact CE2-CE2 4.06Å; F298-Y321 AromaticContact CE2-CG 3.77Å; F298-Y321 HydrophobicContact CE2-CG 3.77Å; F298-Y321 HydrophobicContact CZ-CD2 4.34Å; L313-Y321 HydrophobicContact CD2-CE2 4.18Å; R318-Y321 HydrophobicContact CB-CE2 4.28Å; R318-Y321 HydrophobicContact CG-CD2 4.42Å; R318-Y321 HydrophobicContact CG-CE2 4Å; Y321-T346 CarbonylContact O-C 3.47Å; Y321-T346 WeakPolarHBondContact O-CA 3.44Å; Y321-F347 PolarHBondContact N-O 2.8Å; Y321-F347 PolarHBondContact O-N 3.2Å; Y321-V349 HydrophobicContact CD2-CG2 4.41Å; Y321-V349 HydrophobicContact CE2-CG2 4.22Å
322E92.3Very high88.2Confident152 Ų15247.1 Ų47.171%0.7125%0.252SS*.EExtended strand (participates in β ladder)trans-115.3126.2173.7-173.5177.4-169.900109.7I345E322-I345 WeakPolarHBondContact CA-O 3.36Å
323F92.9Very high87.4Confident18 Ų1850.7 Ų50.78%0.07925%0.253CS..EExtended strand (participates in β ladder)trans-157.4166.5-174.761-80.9000112.5F286 L294 I307 V325 I345 F347F286-F323 AromaticContact CD1-CD2 3.89Å; F286-F323 HydrophobicContact CD1-CD2 3.89Å; F286-F323 HydrophobicContact CD1-CE2 4.2Å; F286-F323 AromaticContact CE1-CD2 3.82Å; F286-F323 HydrophobicContact CE1-CD2 3.82Å; F286-F323 AromaticContact CE1-CE2 3.72Å; F286-F323 HydrophobicContact CE1-CE2 3.72Å; L294-F323 HydrophobicContact CD1-CB 4.17Å; L294-F323 HydrophobicContact CD1-CD1 3.38Å; L294-F323 HydrophobicContact CD1-CD2 4.28Å; L294-F323 HydrophobicContact CD1-CE1 3.68Å; L294-F323 HydrophobicContact CD1-CG 3.71Å; L294-F323 HydrophobicContact CD1-CZ 4.22Å; L294-F323 HydrophobicContact CD2-CB 3.45Å; L294-F323 VanDerWaalsContact CD2-CB 3.45Å; L294-F323 HydrophobicContact CD2-CD1 4.19Å; L294-F323 HydrophobicContact CD2-CD2 3.84Å; L294-F323 HydrophobicContact CD2-CG 3.59Å; L294-F323 HydrophobicContact CG-CB 4.46Å; L294-F323 HydrophobicContact CG-CD1 4.42Å; L294-F323 HydrophobicContact CG-CG 4.29Å; I307-F323 HydrophobicContact CD1-CE2 3.96Å; I307-F323 HydrophobicContact CD1-CZ 4.1Å; F323-V325 HydrophobicContact CD2-CG2 4.04Å; F323-V325 HydrophobicContact CE2-CG2 3.93Å; F323-I345 HydrophobicContact CD1-CB 4.32Å; F323-I345 HydrophobicContact CD1-CG2 4.45Å; F323-I345 HydrophobicContact CD2-CB 4.18Å; F323-I345 HydrophobicContact CD2-CD1 4.37Å; F323-I345 HydrophobicContact CE1-CB 4.03Å; F323-I345 HydrophobicContact CE1-CG2 3.7Å; F323-I345 HydrophobicContact CE2-CB 3.88Å; F323-I345 HydrophobicContact CE2-CD1 3.75Å; F323-I345 HydrophobicContact CE2-CG1 4.34Å; F323-I345 HydrophobicContact CE2-CG2 3.99Å; F323-I345 HydrophobicContact CG-CB 4.41Å; F323-I345 HydrophobicContact CZ-CB 3.81Å; F323-I345 HydrophobicContact CZ-CD1 4.23Å; F323-I345 HydrophobicContact CZ-CG2 3.44Å; F323-I345 VanDerWaalsContact CZ-CG2 3.44Å; F323-I345 PolarHBondContact N-O 3.49Å; F323-I345 PolarHBondContact O-N 3.38Å; F323-F347 AromaticContact CE1-CD2 3.88Å; F323-F347 HydrophobicContact CE1-CD2 3.88Å; F323-F347 AromaticContact CE1-CE2 3.98Å; F323-F347 HydrophobicContact CE1-CE2 3.98Å; F323-F347 HydrophobicContact CE1-CG 4.24Å; F323-F347 HydrophobicContact CE1-CZ 4.41Å; F323-F347 HydrophobicContact CZ-CD2 4.12Å; F323-F347 HydrophobicContact CZ-CE1 4.49Å; F323-F347 AromaticContact CZ-CE2 3.72Å; F323-F347 HydrophobicContact CZ-CE2 3.72Å; F323-F347 AromaticContact CZ-CZ 3.93Å; F323-F347 HydrophobicContact CZ-CZ 3.93Å
324K91.9Very high86.6Confident83 Ų8354.2 Ų54.236%0.36128%0.284SS..EExtended strand (participates in β ladder)trans-113.1145.1174.6-70.1172.6177.4-74.70111.2H287 A343 D344H287-K324 HydrophobicContact CB-CB 4.16Å; H287-K324 PolarHBondContact N-O 2.86Å; K324-A343 WeakPolarHBondContact CA-O 3.12Å; K324-D344 IonicContact NZ-OD1 2.71Å; K324-D344 PolarHBondContact NZ-OD1 3.42Å
325V92.3Very high86.1Confident0 Ų053.3 Ų53.30%028%0.276CS..EExtended strand (participates in β ladder)trans-123.3139167.3174.70000108.9L269 S285 F286 L300 I307 F323 T342 A343 I345L269-V325 HydrophobicContact CD1-CB 3.77Å; L269-V325 HydrophobicContact CD1-CG1 3.38Å; L269-V325 HydrophobicContact CD1-CG2 4.2Å; S285-V325 CarbonylContact O-C 3.52Å; S285-V325 WeakPolarHBondContact O-CA 3.28Å; S285-V325 WeakPolarHBondContact O-CG1 3.35Å; F286-V325 HydrophobicContact CD1-CG2 3.94Å; F286-V325 HydrophobicContact CE1-CG2 4.34Å; L300-V325 HydrophobicContact CD1-CG1 4.35Å; L300-V325 HydrophobicContact CD2-CG1 3.71Å; L300-V325 HydrophobicContact CD2-CG2 4.05Å; I307-V325 HydrophobicContact CD1-CG2 4.46Å; F323-V325 HydrophobicContact CD2-CG2 4.04Å; F323-V325 HydrophobicContact CE2-CG2 3.93Å; V325-T342 CarbonylContact O-C 3.57Å; V325-T342 WeakPolarHBondContact O-CA 3.31Å; V325-A343 PolarHBondContact N-O 3.07Å; V325-A343 VanDerWaalsContact N-O 3.08Å; V325-A343 PolarHBondContact O-N 2.88Å; V325-I345 HydrophobicContact CB-CD1 4.05Å; V325-I345 HydrophobicContact CG2-CD1 3.7Å
326I91.5Very high85.5Confident1 Ų157.1 Ų57.11%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-110.1140.8175.1-166.6158.1000110.3Y284 S285 H287 C335 S341 T342Y284-I326 CarbonylContact C-O 3.45Å; Y284-I326 WeakPolarHBondContact CA-O 3.33Å; S285-I326 PolarHBondContact N-O 2.79Å; S285-I326 PolarHBondContact O-N 3.34Å; H287-I326 HydrophobicContact CB-CB 3.89Å; H287-I326 HydrophobicContact CB-CG2 3.92Å; I326-C335 HydrophobicContact CG2-CB 3.96Å; I326-S341 CarbonylContact C-O 3.51Å; I326-S341 WeakPolarHBondContact CA-O 3.23Å; I326-T342 HydrophobicContact CB-CG2 4.09Å; I326-T342 HydrophobicContact CD1-CG2 3.75Å; I326-T342 HydrophobicContact CG1-CG2 3.86Å
327A91.9Very high84.6Confident1 Ų156 Ų561%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-93.3141.9164.700000109.6P245 L247 A271 V282 M283 Y284 S341P245-A327 HydrophobicContact CB-CB 3.79Å; L247-A327 HydrophobicContact CD2-CB 4.42Å; L247-A327 HydrophobicContact CG-CB 4.18Å; A271-A327 HydrophobicContact CB-CB 3.57Å; V282-A327 HydrophobicContact CG1-CB 4.04Å; M283-A327 CarbonylContact O-C 3.59Å; M283-A327 WeakPolarHBondContact O-CA 3.36Å; Y284-A327 HydrophobicContact CD1-CB 4.26Å; Y284-A327 HydrophobicContact CE1-CB 4.25Å; A327-S341 PolarHBondContact N-O 3.32Å; A327-S341 WeakPolarHBondContact O-CB 3.39Å
328C88.8Confident83.8Confident4 Ų453 Ų533%0.02729%0.291CS..EExtended strand (participates in β ladder)trans-148.3142.3-174.333.30000110.1M283 C335M283-C328 PolarHBondContact N-O 2.73Å; M283-C328 PolarHBondContact O-N 2.74Å; M283-C328 PolarHBondContact O-SG 3.38Å; C328-C335 HydrophobicContact CB-CB 3.51Å; C328-C335 WeakPolarHBondContact CB-SG 3.21Å; C328-C335 WeakPolarHBondContact SG-CB 3.21Å; C328-C335 CovalentContact SG-SG 2.04Å; C328-C335 PolarHBondContact SG-SG 3.15Å
329D88.6Confident82.7Confident8 Ų858 Ų584%0.04332%0.317CS..EExtended strand (participates in β ladder)trans-67.3159.7172.66087.8000110.6N241 P245 R279 R281 V331 N332N241-D329 PolarHBondContact OD1-OD1 3.32Å; P245-D329 HydrophobicContact CG-CB 4.36Å; R279-D329 VanDerWaalsContact O-CB 3.26Å; R279-D329 WeakPolarHBondContact O-CB 3.35Å; R281-D329 CarbonylContact O-C 3.54Å; R281-D329 WeakPolarHBondContact O-CA 3.22Å; D329-V331 PolarHBondContact O-N 2.96Å; D329-V331 WeakPolarHBondContact OD1-CA 3.36Å; D329-V331 WeakPolarHBondContact OD1-CB 3.26Å; D329-V331 PolarHBondContact OD1-N 2.61Å; D329-V331 VanDerWaalsContact OD1-N 3.14Å; D329-N332 VanDerWaalsContact OD1-CB 3.22Å; D329-N332 WeakPolarHBondContact OD1-CB 3.34Å; D329-N332 PolarHBondContact OD1-N 2.82Å; D329-N332 WeakPolarHBondContact OD2-CB 3.38Å
330A83.8Confident82Confident3 Ų358.4 Ų58.43%0.02532%0.319CS..SBendtrans-75.2-7.9-175.700000113.7E278 R281 M283 R333E278-A330 HydrophobicContact CB-CB 4.38Å; E278-A330 WeakPolarHBondContact O-CB 3.49Å; E278-A330 PolarHBondContact O-N 3.45Å; R281-A330 HydrophobicContact CB-CB 4.01Å; R281-A330 HydrophobicContact CG-CB 4.16Å; R281-A330 PolarHBondContact O-N 2.85Å; M283-A330 HydrophobicContact CG-CB 4.17Å; M283-A330 HydrophobicContact SD-CB 4.14Å; A330-R333 WeakPolarHBondContact O-CG 3.43Å; A330-R333 PolarHBondContact O-NE 2.7Å
331V82.5Confident81.6Confident86 Ų8656.6 Ų56.652%0.52131%0.307SS..SBendtrans-84.5-47.9175.3-174.10000110.2R279 D329 R333R279-V331 HydrophobicContact CG-CG2 3.78Å; D329-V331 PolarHBondContact O-N 2.96Å; D329-V331 WeakPolarHBondContact OD1-CA 3.36Å; D329-V331 WeakPolarHBondContact OD1-CB 3.26Å; D329-V331 PolarHBondContact OD1-N 2.61Å; D329-V331 VanDerWaalsContact OD1-N 3.14Å; V331-R333 PolarHBondContact O-N 2.84Å
332N78.2Confident81.4Confident47 Ų4756.9 Ų56.925%0.25131%0.309SS..  trans-74.159.3170.5-172.2-2.6000110.9D329 A334 C335 S336D329-N332 VanDerWaalsContact OD1-CB 3.22Å; D329-N332 WeakPolarHBondContact OD1-CB 3.34Å; D329-N332 PolarHBondContact OD1-N 2.82Å; D329-N332 WeakPolarHBondContact OD2-CB 3.38Å; N332-A334 PolarHBondContact O-N 3.47Å; N332-C335 PolarHBondContact O-N 3.45Å; N332-C335 PolarHBondContact OD1-N 3.18Å; N332-S336 PolarHBondContact ND2-O 3.25Å; N332-S336 PolarHBondContact OD1-N 2.78Å; N332-S336 PolarHBondContact OD1-OG 3.21Å; N332-S336 VanDerWaalsContact OD1-OG 3.08Å
333R72.7Confident81.4Confident175 Ų17549.6 Ų49.666%0.6628%0.276SS*.THydrogen-bonded Turntrans-57.7-21-177.5-66.2-176.9174.7-170.7-3.1114.4R302 A330 V331R302-R333 PolarHBondContact NH2-O 3.17Å; A330-R333 WeakPolarHBondContact O-CG 3.43Å; A330-R333 PolarHBondContact O-NE 2.7Å; V331-R333 PolarHBondContact O-N 2.84Å
334A73.9Confident81.3Confident85 Ų8550.1 Ų50.170%0.70228%0.279SS*.THydrogen-bonded Turntrans-73-15174.300000113.3N332 S336N332-A334 PolarHBondContact O-N 3.47Å; A334-S336 PolarHBondContact O-N 3.02Å
335C77.7Confident81.5Confident8 Ų846.1 Ų46.15%0.05426%0.262CS..  trans53.437.4-176-58.70000112.9R302 I326 C328 N332 G337R302-C335 PolarHBondContact NH2-SG 2.81Å; I326-C335 HydrophobicContact CG2-CB 3.96Å; C328-C335 HydrophobicContact CB-CB 3.51Å; C328-C335 WeakPolarHBondContact CB-SG 3.21Å; C328-C335 WeakPolarHBondContact SG-CB 3.21Å; C328-C335 CovalentContact SG-SG 2.04Å; C328-C335 PolarHBondContact SG-SG 3.15Å; N332-C335 PolarHBondContact O-N 3.45Å; N332-C335 PolarHBondContact OD1-N 3.18Å; C335-G337 PolarHBondContact O-N 2.89Å
336S70.8Confident81.5Confident88 Ų8847.4 Ų47.462%0.61527%0.27SS*.  trans-81.693.3170.848.10000108.9N332 A334N332-S336 PolarHBondContact ND2-O 3.25Å; N332-S336 PolarHBondContact OD1-N 2.78Å; N332-S336 PolarHBondContact OD1-OG 3.21Å; N332-S336 VanDerWaalsContact OD1-OG 3.08Å; A334-S336 PolarHBondContact O-N 3.02Å
337G63.7Low81.7Confident41 Ų4147.4 Ų47.442%0.42327%0.269SS..  trans-128.1-178.9-177.100000113.8C335C335-G337 PolarHBondContact O-N 2.89Å
338N66.8Low81.8Confident82 Ų8250 Ų5044%0.43929%0.285SS..  trans-99.6166.7-174.950.827.1000112.1N340 S341N338-N340 PolarHBondContact O-N 2.66Å; N338-N340 VanDerWaalsContact O-N 3.11Å; N338-S341 PolarHBondContact O-N 2.81Å; N338-S341 PolarHBondContact OD1-OG 3.26Å
339E64.6Low81.9Confident171 Ų17150.6 Ų50.680%0.79929%0.289SS*.G310 helixtrans-56.1-33.5-173-62.9-170.1144.700113.8S341 T342E339-S341 PolarHBondContact O-N 3.15Å; E339-T342 PolarHBondContact O-N 3.42Å; E339-T342 PolarHBondContact O-OG1 2.98Å
340N71.9Confident81.9Confident121 Ų12153.8 Ų53.865%0.64730%0.304SS*.G310 helixtrans-62.4-22.4178-70.2-18.4000113.9N338N338-N340 PolarHBondContact O-N 2.66Å; N338-N340 VanDerWaalsContact O-N 3.11Å
341S83.6Confident82.1Confident4 Ų455.4 Ų55.43%0.02831%0.312CS..G310 helixtrans-92.41.9176.6-47.60000112.1P245 L247 I326 A327 N338 E339P245-S341 WeakPolarHBondContact O-CB 3.08Å; P245-S341 PolarHBondContact O-OG 3.32Å; L247-S341 VanDerWaalsContact CD1-O 3.24Å; L247-S341 WeakPolarHBondContact CD1-O 3.38Å; I326-S341 CarbonylContact C-O 3.51Å; I326-S341 WeakPolarHBondContact CA-O 3.23Å; A327-S341 PolarHBondContact N-O 3.32Å; A327-S341 WeakPolarHBondContact O-CB 3.39Å; N338-S341 PolarHBondContact O-N 2.81Å; N338-S341 PolarHBondContact OD1-OG 3.26Å; E339-S341 PolarHBondContact O-N 3.15Å
342T89.5Confident82.2Confident16 Ų1653.4 Ų53.410%0.09830%0.299CS..EExtended strand (participates in β ladder)trans-107.9148.9-179.569.40000113L247 V325 I326 E339L247-T342 VanDerWaalsContact CD1-C 3.48Å; V325-T342 CarbonylContact O-C 3.57Å; V325-T342 WeakPolarHBondContact O-CA 3.31Å; I326-T342 HydrophobicContact CB-CG2 4.09Å; I326-T342 HydrophobicContact CD1-CG2 3.75Å; I326-T342 HydrophobicContact CG1-CG2 3.86Å; E339-T342 PolarHBondContact O-N 3.42Å; E339-T342 PolarHBondContact O-OG1 2.98Å
343A91.5Very high82.6Confident0 Ų052.2 Ų52.20%029%0.293CS..EExtended strand (participates in β ladder)trans-126.4138.7166.800000112.1L247 T250 F252 K324 V325L247-A343 HydrophobicContact CD1-CB 3.79Å; T250-A343 CarbonylContact O-C 3.55Å; T250-A343 VanDerWaalsContact O-CA 3.26Å; T250-A343 WeakPolarHBondContact O-CA 3.18Å; F252-A343 HydrophobicContact CD2-CB 4.04Å; F252-A343 HydrophobicContact CE2-CB 3.88Å; K324-A343 WeakPolarHBondContact CA-O 3.12Å; V325-A343 PolarHBondContact N-O 3.07Å; V325-A343 VanDerWaalsContact N-O 3.08Å; V325-A343 PolarHBondContact O-N 2.88Å
344D92.3Very high83.2Confident28 Ų2847.5 Ų47.515%0.1528%0.281CS..EExtended strand (participates in β ladder)trans-78.4132.5166.6-57-33.5000109.2T250 R251 F252 K324T250-D344 PolarHBondContact O-N 3.09Å; R251-D344 CarbonylContact C-O 3.57Å; R251-D344 VanDerWaalsContact CA-O 3.3Å; R251-D344 WeakPolarHBondContact CA-O 3.45Å; R251-D344 HydrophobicContact CG-CB 4.25Å; R251-D344 IonicContact CZ-OD2 3.8Å; R251-D344 IonicContact NE-OD2 3.57Å; R251-D344 IonicContact NH1-OD2 2.7Å; R251-D344 PolarHBondContact NH1-OD2 3.3Å; R251-D344 IonicContact NH2-OD2 3.63Å; R251-D344 PolarHBondContact NH2-OD2 3.07Å; F252-D344 PolarHBondContact N-O 3.39Å; K324-D344 IonicContact NZ-OD1 2.71Å; K324-D344 PolarHBondContact NZ-OD1 3.42Å
345I94.1Very high83.7Confident0 Ų047.1 Ų47.10%026%0.264CS..EExtended strand (participates in β ladder)trans-130124.7-179.1-54178.4000108.8F252 L267 L269 I307 E322 F323 V325 F347F252-I345 HydrophobicContact CB-CG1 4.43Å; F252-I345 HydrophobicContact CB-CG2 4.45Å; F252-I345 HydrophobicContact CD2-CG1 4.26Å; F252-I345 WeakPolarHBondContact O-CA 3.36Å; L267-I345 HydrophobicContact CD2-CD1 4.1Å; L267-I345 HydrophobicContact CD2-CG1 4.41Å; L267-I345 HydrophobicContact CD2-CG2 3.93Å; L269-I345 HydrophobicContact CD1-CD1 4.13Å; L269-I345 HydrophobicContact CD2-CD1 4.03Å; I307-I345 HydrophobicContact CD1-CD1 3.65Å; E322-I345 WeakPolarHBondContact CA-O 3.36Å; F323-I345 HydrophobicContact CD1-CB 4.32Å; F323-I345 HydrophobicContact CD1-CG2 4.45Å; F323-I345 HydrophobicContact CD2-CB 4.18Å; F323-I345 HydrophobicContact CD2-CD1 4.37Å; F323-I345 HydrophobicContact CE1-CB 4.03Å; F323-I345 HydrophobicContact CE1-CG2 3.7Å; F323-I345 HydrophobicContact CE2-CB 3.88Å; F323-I345 HydrophobicContact CE2-CD1 3.75Å; F323-I345 HydrophobicContact CE2-CG1 4.34Å; F323-I345 HydrophobicContact CE2-CG2 3.99Å; F323-I345 HydrophobicContact CG-CB 4.41Å; F323-I345 HydrophobicContact CZ-CB 3.81Å; F323-I345 HydrophobicContact CZ-CD1 4.23Å; F323-I345 HydrophobicContact CZ-CG2 3.44Å; F323-I345 VanDerWaalsContact CZ-CG2 3.44Å; F323-I345 PolarHBondContact N-O 3.49Å; F323-I345 PolarHBondContact O-N 3.38Å; V325-I345 HydrophobicContact CB-CD1 4.05Å; V325-I345 HydrophobicContact CG2-CD1 3.7Å; I345-F347 HydrophobicContact CG2-CD1 3.69Å; I345-F347 HydrophobicContact CG2-CE1 3.28Å; I345-F347 HydrophobicContact CG2-CZ 3.8Å
346T94.3Very high84.2Confident27 Ų2750.1 Ų50.117%0.16628%0.283CS..EExtended strand (participates in β ladder)trans-122.3114.2175.9-46.70000109.3F252 N253 K254 Y321F252-T346 PolarHBondContact O-N 3.24Å; N253-T346 WeakPolarHBondContact CA-O 2.87Å; K254-T346 PolarHBondContact N-O 2.79Å; Y321-T346 CarbonylContact O-C 3.47Å; Y321-T346 WeakPolarHBondContact O-CA 3.44Å
347F95Very high85.2Confident0 Ų046 Ų460%026%0.255CS..EExtended strand (participates in β ladder)trans-104.8116.7171.7-63.4-14.7000109.5K254 L256 V266 L267 F298 I307 S320 Y321 F323 I345K254-F347 HydrophobicContact CB-CD1 3.63Å; K254-F347 HydrophobicContact CB-CE1 3.91Å; K254-F347 HydrophobicContact CG-CD1 4.4Å; K254-F347 HydrophobicContact CG-CE1 4.46Å; K254-F347 WeakPolarHBondContact O-CA 3.37Å; L256-F347 HydrophobicContact CD1-CB 3.87Å; L256-F347 HydrophobicContact CD1-CD2 3.76Å; L256-F347 HydrophobicContact CD1-CE2 4.42Å; L256-F347 HydrophobicContact CD1-CG 3.86Å; L256-F347 HydrophobicContact CG-CB 4.49Å; V266-F347 HydrophobicContact CG2-CD2 4.45Å; V266-F347 HydrophobicContact CG2-CE2 3.55Å; V266-F347 HydrophobicContact CG2-CZ 3.76Å; L267-F347 HydrophobicContact CB-CE1 4.01Å; L267-F347 HydrophobicContact CB-CZ 3.81Å; L267-F347 HydrophobicContact CD2-CE1 3.96Å; L267-F347 HydrophobicContact CD2-CZ 4.26Å; F298-F347 HydrophobicContact CD1-CD2 4.25Å; F298-F347 AromaticContact CD1-CE2 3.97Å; F298-F347 HydrophobicContact CD1-CE2 3.97Å; F298-F347 AromaticContact CE1-CD2 3.68Å; F298-F347 HydrophobicContact CE1-CD2 3.68Å; F298-F347 AromaticContact CE1-CE2 3.79Å; F298-F347 HydrophobicContact CE1-CE2 3.79Å; F298-F347 HydrophobicContact CE2-CD2 4.06Å; F298-F347 HydrophobicContact CG-CE2 4.47Å; F298-F347 AromaticContact CZ-CD2 3.58Å; F298-F347 HydrophobicContact CZ-CD2 3.58Å; F298-F347 HydrophobicContact CZ-CE2 4.14Å; I307-F347 HydrophobicContact CD1-CZ 4.25Å; I307-F347 HydrophobicContact CG2-CE2 3.91Å; I307-F347 HydrophobicContact CG2-CZ 4.1Å; S320-F347 WeakPolarHBondContact CA-O 3.34Å; Y321-F347 PolarHBondContact N-O 2.8Å; Y321-F347 PolarHBondContact O-N 3.2Å; F323-F347 AromaticContact CE1-CD2 3.88Å; F323-F347 HydrophobicContact CE1-CD2 3.88Å; F323-F347 AromaticContact CE1-CE2 3.98Å; F323-F347 HydrophobicContact CE1-CE2 3.98Å; F323-F347 HydrophobicContact CE1-CG 4.24Å; F323-F347 HydrophobicContact CE1-CZ 4.41Å; F323-F347 HydrophobicContact CZ-CD2 4.12Å; F323-F347 HydrophobicContact CZ-CE1 4.49Å; F323-F347 AromaticContact CZ-CE2 3.72Å; F323-F347 HydrophobicContact CZ-CE2 3.72Å; F323-F347 AromaticContact CZ-CZ 3.93Å; F323-F347 HydrophobicContact CZ-CZ 3.93Å; I345-F347 HydrophobicContact CG2-CD1 3.69Å; I345-F347 HydrophobicContact CG2-CE1 3.28Å; I345-F347 HydrophobicContact CG2-CZ 3.8Å
348T93Very high86.4Confident56 Ų5645.7 Ų45.734%0.34425%0.246SC..EExtended strand (participates in β ladder)trans-100.3128.7173.4520000110K254 R255 L256 D319K254-T348 PolarHBondContact O-N 3.3Å; K254-T348 PolarHBondContact O-OG1 3.39Å; R255-T348 WeakPolarHBondContact CA-O 3.25Å; L256-T348 PolarHBondContact N-O 3.23Å; D319-T348 CarbonylContact O-C 3.52Å; D319-T348 WeakPolarHBondContact O-CA 3.05Å
349V91.4Very high87.5Confident16 Ų1642.6 Ų42.610%0.09723%0.229CC..EExtended strand (participates in β ladder)trans-85.6130.2-180-169.80000109.6L256 E258 L313 A315 R318 D319 Y321L256-V349 CarbonylContact O-C 3.5Å; L256-V349 VanDerWaalsContact O-CA 3.25Å; L256-V349 WeakPolarHBondContact O-CA 3.46Å; E258-V349 HydrophobicContact CB-CG1 3.71Å; L313-V349 HydrophobicContact CB-CG1 4.17Å; L313-V349 HydrophobicContact CD1-CG1 4.39Å; L313-V349 HydrophobicContact CD1-CG2 4.36Å; A315-V349 HydrophobicContact CB-CB 4.47Å; A315-V349 HydrophobicContact CB-CG1 3.92Å; R318-V349 WeakPolarHBondContact O-CG2 3.41Å; D319-V349 PolarHBondContact O-N 2.72Å; Y321-V349 HydrophobicContact CD2-CG2 4.41Å; Y321-V349 HydrophobicContact CE2-CG2 4.22Å
350E87.9Confident88.5Confident76 Ų7638.6 Ų38.636%0.35521%0.21SC..EExtended strand (participates in β ladder)trans-101.7123174.1-74-177.5152.500109.5R255 L256 I257 E258R255-E350 HydrophobicContact CB-CG 4.32Å; R255-E350 WeakPolarHBondContact CD-OE1 3.42Å; R255-E350 IonicContact CZ-OE1 2.67Å; R255-E350 IonicContact NE-OE1 3.22Å; R255-E350 IonicContact NH1-OE1 3.42Å; R255-E350 PolarHBondContact NH1-OE1 2.75Å; L256-E350 PolarHBondContact O-N 2.81Å; I257-E350 WeakPolarHBondContact CA-O 3.45Å; I257-E350 HydrophobicContact CG2-CB 4.15Å; E258-E350 PolarHBondContact N-O 2.76Å
351D88.3Confident89.1Confident36 Ų3633.2 Ų33.219%0.19318%0.183CC..PPolyproline II helixtrans-65.7140.6-179.1-169.5103.9000112.5A315 T421 N424A315-D351 HydrophobicContact CB-CB 3.98Å; D351-T421 WeakPolarHBondContact CB-OG1 3.29Å; D351-T421 WeakPolarHBondContact OD1-CA 3.46Å; D351-T421 VanDerWaalsContact OD1-CB 3.26Å; D351-T421 WeakPolarHBondContact OD1-CB 3.07Å; D351-T421 WeakPolarHBondContact OD1-CG2 3.31Å; D351-T421 PolarHBondContact OD1-N 3.07Å; D351-T421 PolarHBondContact OD1-OG1 3.06Å; D351-T421 PolarHBondContact OD2-N 3.28Å; D351-N424 PolarHBondContact OD2-ND2 2.88Å
352V85.8Confident88.9Confident44 Ų4436.4 Ų36.427%0.26720%0.202SC..  trans-130.9109.7-179.6179.70000108.6I257 E258 N354I257-V352 HydrophobicContact CB-CG2 4.08Å; E258-V352 HydrophobicContact CG-CB 4.34Å; E258-V352 HydrophobicContact CG-CG2 4.38Å; E258-V352 PolarHBondContact OE1-N 2.79Å; V352-N354 VanDerWaalsContact O-CB 3.23Å; V352-N354 WeakPolarHBondContact O-CB 3.5Å; V352-N354 PolarHBondContact O-N 3.37Å; V352-N354 PolarHBondContact O-ND2 3.5Å
353N86.6Confident88.4Confident22 Ų2236.6 Ų36.612%0.11821%0.205CC..SBendtrans-48.297.1-173.7-161.5116.3000113.3D420 N424 D483 G485 L490N353-D420 WeakPolarHBondContact CA-OD2 3.47Å; N353-D420 VanDerWaalsContact CG-OD2 3.28Å; N353-D420 PolarHBondContact ND2-OD2 2.88Å; N353-N424 HydrophobicContact CB-CB 4.13Å; N353-N424 PolarHBondContact N-ND2 2.9Å; N353-N424 WeakPolarHBondContact OD1-CA 3.33Å; N353-N424 WeakPolarHBondContact OD1-CB 3.26Å; N353-N424 PolarHBondContact OD1-OD1 2.58Å; N353-D483 PolarHBondContact ND2-OD2 2.93Å; N353-G485 WeakPolarHBondContact OD1-CA 3.32Å; N353-L490 WeakPolarHBondContact ND2-CD1 3.21Å; N353-L490 WeakPolarHBondContact ND2-CG 3.43Å
354N84.7Confident87.6Confident77 Ų7737.7 Ų37.741%0.41221%0.214SC..  trans-136.3-20.2-168.879.392.7000114.3E258 V352 P356 D420E258-N354 PolarHBondContact OE1-ND2 2.79Å; V352-N354 VanDerWaalsContact O-CB 3.23Å; V352-N354 WeakPolarHBondContact O-CB 3.5Å; V352-N354 PolarHBondContact O-N 3.37Å; V352-N354 PolarHBondContact O-ND2 3.5Å; N354-P356 WeakPolarHBondContact O-CD 3.04Å; N354-D420 PolarHBondContact N-OD1 2.76Å; N354-D420 PolarHBondContact N-OD2 2.79Å
355F84.9Confident86.7Confident76 Ų7639.7 Ų39.733%0.33324%0.241SC..SBendtrans-91114.5172.1-66.3-72.7000110.8N316 D419 D420N316-F355 WeakPolarHBondContact ND2-CE2 3.24Å; F355-D419 HydrophobicContact CB-CB 4.02Å; F355-D419 HydrophobicContact CD1-CB 4.33Å; F355-D419 HydrophobicContact CD2-CB 4.06Å; F355-D419 HydrophobicContact CG-CB 3.87Å; F355-D420 VanDerWaalsContact CD2-OD1 3.29Å; F355-D420 WeakPolarHBondContact CD2-OD1 3.42Å; F355-D420 PolarHBondContact N-OD1 2.79Å; F355-D420 PolarHBondContact N-OD2 2.87Å
356P87.8Confident85.3Confident72 Ų7241.5 Ų41.547%0.46826%0.256SS..PPolyproline II helixtrans-73.4150.2175.130.2-34.8000111.5N354 S358 L490N354-P356 WeakPolarHBondContact O-CD 3.04Å; P356-S358 PolarHBondContact O-N 3.14Å; P356-L490 HydrophobicContact CB-CB 3.99Å; P356-L490 HydrophobicContact CB-CD1 4.31Å
357P90.9Very high83.9Confident2 Ų240.9 Ų40.91%0.01325%0.254CS..PPolyproline II helixtrans-53.7120.2-177.7-26.829.7000114.1V416 R417 D418 V427 C481 D483 S492P357-V416 HydrophobicContact CB-CG1 4.07Å; P357-R417 CarbonylContact C-O 3.53Å; P357-R417 WeakPolarHBondContact CA-O 3.47Å; P357-D418 VanDerWaalsContact CD-OD2 3.31Å; P357-D418 WeakPolarHBondContact CD-OD2 3.49Å; P357-D418 VanDerWaalsContact CG-OD2 3.29Å; P357-D418 WeakPolarHBondContact CG-OD2 3.23Å; P357-V427 HydrophobicContact CB-CG1 3.86Å; P357-V427 HydrophobicContact CG-CG1 3.95Å; P357-C481 HydrophobicContact CB-CB 4.11Å; P357-D483 HydrophobicContact CG-CB 4.09Å; P357-S492 WeakPolarHBondContact O-CB 3.45Å; P357-S492 PolarHBondContact O-OG 2.8Å
358S88.9Confident82.2Confident34 Ų3445.3 Ų45.324%0.23828%0.277CS..EExtended strand (participates in β ladder)trans-83.2121.517758.20000111.6P356 V416 R417P356-S358 PolarHBondContact O-N 3.14Å; S358-V416 VanDerWaalsContact O-CA 3.31Å; S358-V416 WeakPolarHBondContact O-CA 3.16Å; S358-R417 PolarHBondContact N-O 3.15Å; S358-R417 PolarHBondContact O-N 3.4Å; S358-R417 PolarHBondContact OG-O 2.86Å
359I90.2Very high80.2Confident17 Ų1745.4 Ų45.49%0.08728%0.277CS..EExtended strand (participates in β ladder)trans-101.8104.1-176.3-52.1174.6000110.6L414 V416 V479 C481 S492 R494I359-L414 HydrophobicContact CG2-CD2 3.84Å; I359-V416 HydrophobicContact CG1-CG1 4.45Å; I359-V416 HydrophobicContact CG2-CG2 4.4Å; I359-V479 HydrophobicContact CD1-CG1 4.34Å; I359-C481 HydrophobicContact CD1-CB 3.92Å; I359-C481 VanDerWaalsContact CD1-SG 3.58Å; I359-C481 HydrophobicContact CG1-CB 4.15Å; I359-S492 WeakPolarHBondContact CD1-OG 3.4Å; I359-R494 HydrophobicContact CB-CB 4.02Å; I359-R494 HydrophobicContact CD1-CB 4.07Å; I359-R494 HydrophobicContact CG2-CB 3.98Å; I359-R494 WeakPolarHBondContact O-CD 3.33Å; I359-R494 PolarHBondContact O-NH1 3.28Å
360H85.2Confident77.9Confident86 Ų8650.2 Ų50.240%0.39831%0.307SS..EExtended strand (participates in β ladder)trans-102.1106.1176.8-65.3-92.6000110.8L414 T415H360-L414 CarbonylContact O-C 3.26Å; H360-L414 WeakPolarHBondContact O-CA 3.36Å; H360-T415 WeakPolarHBondContact CA-O 3.03Å; H360-T415 WeakPolarHBondContact CB-OG1 3.45Å; H360-T415 PolarHBondContact N-O 2.74Å; H360-T415 PolarHBondContact O-N 3.27Å; H360-T415 PolarHBondContact O-OG1 3.19Å
361A84.4Confident75.4Confident9 Ų950.3 Ų50.37%0.07432%0.316CS..EExtended strand (participates in β ladder)trans-82.1133.416800000110L414A361-L414 HydrophobicContact CB-CD2 3.62Å
362V81.1Confident72.5Confident71 Ų7154 Ų5443%0.4334%0.344SS..EExtended strand (participates in β ladder)trans-126.1138.9167.4-176.70000107.1A412 V413V362-A412 CarbonylContact O-C 3.51Å; V362-A412 VanDerWaalsContact O-CA 3.29Å; V362-A412 WeakPolarHBondContact O-CA 3.31Å; V362-A412 WeakPolarHBondContact O-CB 3.19Å; V362-V413 PolarHBondContact N-O 2.87Å; V362-V413 PolarHBondContact O-N 2.04Å; V362-V413 VanDerWaalsContact O-O 3.09Å
363A79.1Confident70Confident19 Ų1957.3 Ų57.316%0.15737%0.369CS..EExtended strand (participates in β ladder)trans-64.3149.1178.500000112.4A367 V369 L400 I411A363-A367 HydrophobicContact CB-CB 4.06Å; A363-V369 HydrophobicContact CB-CG2 3.29Å; A363-L400 HydrophobicContact CB-CD2 3.58Å; A363-I411 WeakPolarHBondContact CA-O 3.1Å
364A74.5Confident67.3Low23 Ų2363.2 Ų63.219%0.1940%0.401CS..  trans-158.8147176.200000111.8Q410 I411 V413A364-Q410 HydrophobicContact CB-CG 4.32Å; A364-Q410 CarbonylContact O-C 3.44Å; A364-I411 PolarHBondContact N-O 3.3Å; A364-I411 CarbonylContact O-C 3.57Å; A364-I411 WeakPolarHBondContact O-CA 3.5Å; A364-I411 PolarHBondContact O-N 2.81Å; A364-V413 HydrophobicContact CB-CB 4.47Å; A364-V413 HydrophobicContact CB-CG2 3.76Å
365G72.5Confident64.6Low70 Ų7068.3 Ų68.372%0.72242%0.423SS*.THydrogen-bonded Turntrans85-119.4176.200000112.4Q410G365-Q410 WeakPolarHBondContact CA-O 3.33Å
366A65.6Low61.9Low39 Ų3972.3 Ų72.332%0.32245%0.447SS..THydrogen-bonded Turntrans-88.4-4.1-177.900000113.7L368 I402 S409 Q410A366-L368 PolarHBondContact O-N 2.83Å; A366-I402 HydrophobicContact CB-CD1 4.49Å; A366-S409 WeakPolarHBondContact CB-OG 3.46Å; A366-Q410 PolarHBondContact N-O 3.3Å
367A63.7Low59.3Low13 Ų1378.8 Ų78.811%0.10747%0.468CS..PPolyproline II helixtrans-71.9122.8173.900000110.9A363 L400 S401 I411A363-A367 HydrophobicContact CB-CB 4.06Å; A367-L400 HydrophobicContact CB-CD2 4.16Å; A367-S401 CarbonylContact C-O 3.52Å; A367-S401 WeakPolarHBondContact CA-O 3.48Å; A367-I411 HydrophobicContact CB-CB 4.09Å; A367-I411 HydrophobicContact CB-CG2 4.33Å; A367-I411 WeakPolarHBondContact CB-O 3.29Å
368L60.1Low56.3Low94 Ų9485.6 Ų85.649%0.49251%0.51SS..BIsolated β-bridgetrans-76.3131168.7-77.7156.5000109A366 S401 I501A366-L368 PolarHBondContact O-N 2.83Å; L368-S401 WeakPolarHBondContact CB-OG 3.43Å; L368-S401 PolarHBondContact N-O 3.47Å; L368-S401 PolarHBondContact O-OG 3.18Å; L368-I501 HydrophobicContact CB-CD1 4.31Å; L368-I501 HydrophobicContact CD1-CD1 3.71Å
369V51Low53.5Low57 Ų5787.3 Ų87.335%0.34553%0.532SS..PPolyproline II helixtrans-97.3124.5167.7-170.60000108A363 S371 D398A363-V369 HydrophobicContact CB-CG2 3.29Å; V369-S371 PolarHBondContact O-N 3.46Å; V369-D398 HydrophobicContact CG1-CB 4.31Å
370T42.7Very low50.7Low117 Ų11795.7 Ų95.772%0.71857%0.571SS**  trans-79.348173.943.50000111.8S372T370-S372 PolarHBondContact O-N 2.99Å
371S34.3Very low47.9Very low78 Ų7896.6 Ų96.655%0.54559%0.587SS.*  trans-91.997.418057.90000112.1V369V369-S371 PolarHBondContact O-N 3.46Å
372S29.3Very low45.5Very low113 Ų113105.9 Ų105.979%0.7963%0.626SS**  trans34.191.6155.261.90000118.5T370T370-S372 PolarHBondContact O-N 2.99Å
373S31.7Very low42.9Very low114 Ų114109 Ų10980%0.79765%0.645SS**  trans-141.7119.2147.460.30000106.9
374D30.9Very low40.6Very low147 Ų147111.5 Ų111.579%0.78667%0.673SS**  cis7076.314.7-151.425.7000115.2
375Q28.7Very low38.6Very low184 Ų184119.8 Ų119.886%0.8671%0.708SS**  trans-152.988.9145.9-74.3-154.27.100110.4
376N27.5Very low36.5Very low160 Ų160121.8 Ų121.886%0.85671%0.711SS**  trans178.675.6145-97.5-36.1000113.2
377K32.2Very low35Very low207 Ų207127.3 Ų127.390%0.974%0.735SS**  trans-153.9123.7150.6-113.9170.1-174.9176.60109.2
378V29.4Very low33.5Very low146 Ų146134.2 Ų134.289%0.88577%0.765SS**  trans-118.8132.8-175.1177.20000108.9
379G28.6Very low32Very low69 Ų69136.8 Ų136.871%0.71178%0.779SS**  trans97.8129.5-173.400000111.6
380E32.6Very low30.9Very low193 Ų193138.5 Ų138.590%0.90279%0.793SS**  cis-129.2157.50.7-65.7-175.2106.500111.1
381S26.3Very low30.2Very low105 Ų105143.5 Ų143.573%0.73481%0.806SS**  trans-111.4130.8172.4-178.10000110.4
382K33.6Very low29.8Very low204 Ų204146 Ų14689%0.88781%0.813SS**  trans-128.6141.4158.2-76-173.8178.4173.70109.1
383T27.1Very low29.7Very low136 Ų136149.2 Ų149.283%0.83482%0.816SS**  trans-106148.4-166.6500000112.1
384G29.5Very low29.5Very low73 Ų73149.2 Ų149.275%0.75381%0.813SS**  trans125137.917700000110.9
385E34.4Very low29.4Very low196 Ų196151.1 Ų151.192%0.91681%0.814SS**  cis-150.7157.5-10.6-162.4156.4-169.900108.3
386S28.3Very low29.8Very low113 Ų113148.7 Ų148.779%0.7981%0.814SS**  trans-87.7125.6-17055.40000112.5
387D32.5Very low30.7Very low154 Ų154142.2 Ų142.282%0.82479%0.785SS**  trans-147.3170.6160.9-133.1-33.2000113
388H33.5Very low31.6Very low158 Ų158135.7 Ų135.773%0.73176%0.76SS**  trans-82.4151.9-150.4-94.7-89.3000119
389N28.6Very low33.1Very low148 Ų148133.7 Ų133.779%0.79174%0.741SS**  trans63.890148-59.5-4.5000119.7
390S28.1Very low35.5Very low93 Ų93130.8 Ų130.865%0.6571%0.709SS**  trans-143.8113.2138.6-175.50000110.2N392S390-N392 VanDerWaalsContact C-N 3.32Å; S390-N392 PolarHBondContact O-N 3.38Å; S390-N392 VanDerWaalsContact O-N 3.1Å; S390-N392 PolarHBondContact OG-OD1 2.9Å
391F26.5Very low37.9Very low223 Ų223121.8 Ų121.898%0.97867%0.668SS**  trans-80.184.8168-109.8-89.6000108.1
392N27.7Very low40.8Very low129 Ų129117 Ų11769%0.6963%0.634SS**PPolyproline II helixtrans-61.5138.2177.1-66.6-12.9000110.2S390S390-N392 VanDerWaalsContact C-N 3.32Å; S390-N392 PolarHBondContact O-N 3.38Å; S390-N392 VanDerWaalsContact O-N 3.1Å; S390-N392 PolarHBondContact OG-OD1 2.9Å
393E27.1Very low43.2Very low182 Ų182110.8 Ų110.885%0.8561%0.61SS**PPolyproline II helixtrans-55.9132.6178.9-62.8177.4115.100111.3K395E393-K395 PolarHBondContact O-N 2.94Å
394P27Very low46Very low113 Ų113104.7 Ų104.773%0.73457%0.572SS**PPolyproline II helixtrans-65.3120.1166.728.2-31.8000108.1
395K27.7Very low48.6Very low187 Ų187106 Ų10681%0.81356%0.561SS**PPolyproline II helixtrans-50.4143.2175.6-75-178.2176.1177.80110E393 G397E393-K395 PolarHBondContact O-N 2.94Å; K395-G397 WeakPolarHBondContact O-CA 3.39Å; K395-G397 PolarHBondContact O-N 3.29Å
396P38.8Very low50.9Low133 Ų13397.7 Ų97.786%0.86453%0.526SS*.SBendtrans-47.3111.3-178-31.536.8000111.9
397G45.9Very low53.7Low24 Ų2496.6 Ų96.625%0.24752%0.516CS..  trans-65.6144.1-151.900000115.7K395 R494K395-G397 WeakPolarHBondContact O-CA 3.39Å; K395-G397 PolarHBondContact O-N 3.29Å; G397-R494 PolarHBondContact O-NH2 3.25Å
398D50.2Low56.2Low70 Ų7092.9 Ų92.937%0.37450%0.5SS..  trans42.792.7145-50.2-13.8000114.8V369 L400V369-D398 HydrophobicContact CG1-CB 4.31Å; D398-L400 PolarHBondContact O-N 3.13Å
399E60.6Low58.7Low105 Ų10586.4 Ų86.449%0.49147%0.472SS..  trans-64.5108.6171.2-170157.2-149.400109.2S401 Q499E399-S401 PolarHBondContact O-N 2.79Å; E399-Q499 HydrophobicContact CG-CG 4.15Å; E399-Q499 PolarHBondContact OE1-NE2 3.23Å; E399-Q499 PolarHBondContact OE2-NE2 3.39Å; E399-Q499 VanDerWaalsContact OE2-NE2 3.16Å
400L79.9Confident61.5Low7 Ų781.5 Ų81.54%0.03745%0.445CS..EExtended strand (participates in β ladder)trans-68.6117.6-172.2-68.1166.3000109.2A363 A367 D398 I411 A412 I496 V498 Q499A363-L400 HydrophobicContact CB-CD2 3.58Å; A367-L400 HydrophobicContact CB-CD2 4.16Å; D398-L400 PolarHBondContact O-N 3.13Å; L400-I411 WeakPolarHBondContact CD2-O 3.4Å; L400-A412 HydrophobicContact CD1-CB 4.06Å; L400-A412 HydrophobicContact CD2-CB 4.15Å; L400-I496 HydrophobicContact CD1-CG2 3.48Å; L400-I496 VanDerWaalsContact CD1-CG2 3.48Å; L400-V498 HydrophobicContact CB-CG2 4.3Å; L400-V498 CarbonylContact O-C 3.55Å; L400-V498 VanDerWaalsContact O-CA 3.27Å; L400-V498 WeakPolarHBondContact O-CA 3.16Å; L400-Q499 PolarHBondContact O-N 2.8Å
401S83.5Confident64.4Low5 Ų577.1 Ų77.14%0.03541%0.414CS..EExtended strand (participates in β ladder)trans-119.9137.1179.469.30000110.5A367 L368 E399 Q499 I501A367-S401 CarbonylContact C-O 3.52Å; A367-S401 WeakPolarHBondContact CA-O 3.48Å; L368-S401 WeakPolarHBondContact CB-OG 3.43Å; L368-S401 PolarHBondContact N-O 3.47Å; L368-S401 PolarHBondContact O-OG 3.18Å; E399-S401 PolarHBondContact O-N 2.79Å; S401-Q499 WeakPolarHBondContact CA-O 3.24Å; S401-I501 WeakPolarHBondContact OG-CD1 3.23Å
402I86.3Confident67.3Low3 Ų366.5 Ų66.52%0.01537%0.367CS..EExtended strand (participates in β ladder)trans-129.7136.6176-167.8175.1000108.7A366 I411 T463 V498 Q499 I500 I501A366-I402 HydrophobicContact CB-CD1 4.49Å; I402-I411 HydrophobicContact CD1-CG2 3.94Å; I402-T463 HydrophobicContact CD1-CG2 4.22Å; I402-V498 HydrophobicContact CG2-CG1 3.83Å; I402-Q499 PolarHBondContact N-O 2.82Å; I402-I500 HydrophobicContact CG2-CG1 4.06Å; I402-I500 CarbonylContact O-C 3.57Å; I402-I500 WeakPolarHBondContact O-CA 3.38Å; I402-I501 PolarHBondContact O-N 2.89Å
403L84.2Confident70.2Confident75 Ų7562.3 Ų62.339%0.39335%0.346SS..EExtended strand (participates in β ladder)trans-61.4140.2173.1-155.575.4000109.5S406 I501 V503L403-S406 WeakPolarHBondContact O-CB 3.39Å; L403-S406 PolarHBondContact O-N 2.75Å; L403-S406 PolarHBondContact O-OG 2.83Å; L403-I501 HydrophobicContact CD1-CB 4.07Å; L403-I501 HydrophobicContact CD1-CG2 3.89Å; L403-V503 HydrophobicContact CD1-CG2 3.54Å; L403-V503 HydrophobicContact CD2-CG2 3.88Å; L403-V503 HydrophobicContact CG-CG2 3.49Å; L403-V503 VanDerWaalsContact CG-CG2 3.49Å
404E85.1Confident73.1Confident8 Ų853.7 Ų53.74%0.03731%0.306CS..THydrogen-bonded Turntrans-62.5166.7171.579.2-176112.600112.4S406 Y469 I500 I501 D502 V503E404-S406 PolarHBondContact O-N 3.2Å; E404-Y469 VanDerWaalsContact CD-CB 3.48Å; E404-Y469 WeakPolarHBondContact OE1-CB 3.48Å; E404-Y469 WeakPolarHBondContact OE2-CB 3.44Å; E404-Y469 PolarHBondContact OE2-N 3.15Å; E404-I500 HydrophobicContact CB-CG2 3.55Å; E404-I501 PolarHBondContact N-O 3.13Å; E404-D502 WeakPolarHBondContact OE1-CA 3.34Å; E404-V503 HydrophobicContact CG-CB 4.13Å; E404-V503 HydrophobicContact CG-CG2 3.93Å; E404-V503 PolarHBondContact OE1-N 2.79Å
405N84.1Confident76.1Confident99 Ų9950.3 Ų50.353%0.52928%0.284SS..THydrogen-bonded Turntrans57.43.2-171.9-69.9-59.9000115.2F467N405-F467 PolarHBondContact N-O 2.81Å
406S84.4Confident79.1Confident23 Ų2341.8 Ų41.816%0.16125%0.247CC..PPolyproline II helixtrans-62.5137.5177.1-72.80000113L403 E404L403-S406 WeakPolarHBondContact O-CB 3.39Å; L403-S406 PolarHBondContact O-N 2.75Å; L403-S406 PolarHBondContact O-OG 2.83Å; E404-S406 PolarHBondContact O-N 3.2Å
407P85.9Confident81.5Confident90 Ų9043.5 Ų43.558%0.58424%0.236SC*.PPolyproline II helixtrans-70.1154.8178.628.9-35.2000112.8S409P407-S409 VanDerWaalsContact O-CB 3.25Å; P407-S409 WeakPolarHBondContact O-CB 3.47Å; P407-S409 PolarHBondContact O-N 3.17Å; P407-S409 VanDerWaalsContact O-N 3.14Å; P407-S409 PolarHBondContact O-OG 3.47Å
408P86.2Confident83.6Confident75 Ų7543.1 Ų43.149%0.48723%0.229SC..SBendtrans-52.1116.8176.3-2936.5000112.9
409S85.8Confident85.3Confident22 Ų2243.7 Ų43.715%0.15423%0.232CC..  trans-152.5173.1-162.149.10000111.4A366 P407 R462 T463A366-S409 WeakPolarHBondContact CB-OG 3.46Å; P407-S409 VanDerWaalsContact O-CB 3.25Å; P407-S409 WeakPolarHBondContact O-CB 3.47Å; P407-S409 PolarHBondContact O-N 3.17Å; P407-S409 VanDerWaalsContact O-N 3.14Å; P407-S409 PolarHBondContact O-OG 3.47Å; S409-R462 CarbonylContact O-C 3.55Å; S409-R462 WeakPolarHBondContact O-CA 3.35Å; S409-R462 WeakPolarHBondContact O-CB 3.18Å; S409-T463 PolarHBondContact N-OG1 3.4Å; S409-T463 PolarHBondContact O-N 2.72Å; S409-T463 PolarHBondContact O-OG1 2.7Å
410Q87.4Confident86.7Confident46 Ų4639 Ų3922%0.21521%0.21CC..EExtended strand (participates in β ladder)trans-75.7140.8170.5-171.3170.1-1.800109.7A364 G365 A366 A412 V413 S460 L461 R462A364-Q410 HydrophobicContact CB-CG 4.32Å; A364-Q410 CarbonylContact O-C 3.44Å; G365-Q410 WeakPolarHBondContact CA-O 3.33Å; A366-Q410 PolarHBondContact N-O 3.3Å; Q410-A412 PolarHBondContact NE2-O 3.26Å; Q410-V413 VanDerWaalsContact NE2-CG2 3.27Å; Q410-S460 PolarHBondContact NE2-OG 2.94Å; Q410-L461 WeakPolarHBondContact CG-O 3.47Å; Q410-R462 HydrophobicContact CB-CG 4.1Å; Q410-R462 HydrophobicContact CG-CG 4.41Å
411I87.7Confident86.9Confident0 Ų041.2 Ų41.20%022%0.224CC..EExtended strand (participates in β ladder)trans-121.2-28174.851.4163.4000113.1A363 A364 A367 L400 I402 F449 L461 T463 V498A363-I411 WeakPolarHBondContact CA-O 3.1Å; A364-I411 PolarHBondContact N-O 3.3Å; A364-I411 CarbonylContact O-C 3.57Å; A364-I411 WeakPolarHBondContact O-CA 3.5Å; A364-I411 PolarHBondContact O-N 2.81Å; A367-I411 HydrophobicContact CB-CB 4.09Å; A367-I411 HydrophobicContact CB-CG2 4.33Å; A367-I411 WeakPolarHBondContact CB-O 3.29Å; L400-I411 WeakPolarHBondContact CD2-O 3.4Å; I402-I411 HydrophobicContact CD1-CG2 3.94Å; I411-F449 HydrophobicContact CD1-CD1 3.79Å; I411-F449 HydrophobicContact CD1-CE1 3.63Å; I411-L461 HydrophobicContact CD1-CD2 3.81Å; I411-L461 HydrophobicContact CD1-CG 4.13Å; I411-L461 HydrophobicContact CG1-CB 4.46Å; I411-L461 HydrophobicContact CG1-CD2 4.17Å; I411-L461 HydrophobicContact CG1-CG 4.14Å; I411-L461 WeakPolarHBondContact CG1-O 3.38Å; I411-L461 PolarHBondContact N-O 2.97Å; I411-T463 HydrophobicContact CD1-CG2 4.04Å; I411-T463 HydrophobicContact CG1-CG2 4.32Å; I411-T463 HydrophobicContact CG2-CG2 3.72Å; I411-V498 HydrophobicContact CD1-CG2 3.71Å
412A87.1Confident86.9Confident0 Ų043.7 Ų43.70%025%0.25CC..EExtended strand (participates in β ladder)trans-145.7157.3177.900000113.5V362 L400 Q410 L461V362-A412 CarbonylContact O-C 3.51Å; V362-A412 VanDerWaalsContact O-CA 3.29Å; V362-A412 WeakPolarHBondContact O-CA 3.31Å; V362-A412 WeakPolarHBondContact O-CB 3.19Å; L400-A412 HydrophobicContact CD1-CB 4.06Å; L400-A412 HydrophobicContact CD2-CB 4.15Å; Q410-A412 PolarHBondContact NE2-O 3.26Å; A412-L461 HydrophobicContact CB-CB 4.13Å; A412-L461 HydrophobicContact CB-CD2 4.43Å; A412-L461 PolarHBondContact N-O 3.47Å; A412-L461 PolarHBondContact O-N 3.11Å
413V88.6Confident86.8Confident41 Ų4147 Ų4725%0.24827%0.268CS..EExtended strand (participates in β ladder)trans-109.5128.7156.6173.10000107.4V362 A364 Q410 T415 I458 Y459V362-V413 PolarHBondContact N-O 2.87Å; V362-V413 PolarHBondContact O-N 2.04Å; V362-V413 VanDerWaalsContact O-O 3.09Å; A364-V413 HydrophobicContact CB-CB 4.47Å; A364-V413 HydrophobicContact CB-CG2 3.76Å; Q410-V413 VanDerWaalsContact NE2-CG2 3.27Å; V413-T415 HydrophobicContact CG1-CG2 4.46Å; V413-I458 HydrophobicContact CG1-CG2 3.49Å; V413-I458 VanDerWaalsContact CG1-CG2 3.49Å; V413-Y459 CarbonylContact C-O 3.56Å; V413-Y459 WeakPolarHBondContact CA-O 3.46Å
414L89.6Confident86.8Confident1 Ų144.5 Ų44.51%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-105.4106.8178.3-72.8152.5000107.8I359 H360 A361 L451 I458 Y459 L461 V479 I496I359-L414 HydrophobicContact CG2-CD2 3.84Å; H360-L414 CarbonylContact O-C 3.26Å; H360-L414 WeakPolarHBondContact O-CA 3.36Å; A361-L414 HydrophobicContact CB-CD2 3.62Å; L414-L451 HydrophobicContact CD1-CD1 3.48Å; L414-L451 VanDerWaalsContact CD1-CD1 3.48Å; L414-I458 WeakPolarHBondContact O-CA 3.49Å; L414-Y459 PolarHBondContact N-O 3.29Å; L414-Y459 PolarHBondContact O-N 2.87Å; L414-L461 HydrophobicContact CD1-CB 4.06Å; L414-V479 HydrophobicContact CD1-CG2 3.83Å; L414-I496 HydrophobicContact CD1-CD1 3.99Å; L414-I496 HydrophobicContact CD2-CD1 3.72Å; L414-I496 HydrophobicContact CG-CD1 4.38Å
415T90.5Very high86.9Confident43 Ų4346 Ų4626%0.26427%0.266SS..EExtended strand (participates in β ladder)trans-88.2128.2167.5510000108.3H360 V413 G457 I458H360-T415 WeakPolarHBondContact CA-O 3.03Å; H360-T415 WeakPolarHBondContact CB-OG1 3.45Å; H360-T415 PolarHBondContact N-O 2.74Å; H360-T415 PolarHBondContact O-N 3.27Å; H360-T415 PolarHBondContact O-OG1 3.19Å; V413-T415 HydrophobicContact CG1-CG2 4.46Å; T415-G457 CarbonylContact C-O 3.47Å; T415-G457 WeakPolarHBondContact CA-O 3.44Å; T415-I458 HydrophobicContact CG2-CD1 4.4Å; T415-I458 HydrophobicContact CG2-CG1 4.24Å; T415-I458 HydrophobicContact CG2-CG2 4.48Å
416V89.8Confident87Confident7 Ų746 Ų464%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-122120.4-178.5-172.70000107.1P357 S358 I359 V427 G457 Y459 C481P357-V416 HydrophobicContact CB-CG1 4.07Å; S358-V416 VanDerWaalsContact O-CA 3.31Å; S358-V416 WeakPolarHBondContact O-CA 3.16Å; I359-V416 HydrophobicContact CG1-CG1 4.45Å; I359-V416 HydrophobicContact CG2-CG2 4.4Å; V416-V427 HydrophobicContact CB-CG2 4.03Å; V416-V427 HydrophobicContact CG1-CB 4.01Å; V416-V427 HydrophobicContact CG1-CG1 4.2Å; V416-V427 HydrophobicContact CG1-CG2 3.8Å; V416-G457 PolarHBondContact N-O 3.14Å; V416-G457 WeakPolarHBondContact O-CA 3.46Å; V416-Y459 HydrophobicContact CG2-CD2 4.12Å; V416-Y459 HydrophobicContact CG2-CE2 4.18Å; V416-C481 HydrophobicContact CG1-CB 4.23Å
417R89Confident87.2Confident170 Ų17046.1 Ų46.164%0.64226%0.261SS*.EExtended strand (participates in β ladder)trans-116.3163.5177.8-64.4-177.6177.4-152.4-0.1109.1P357 S358P357-R417 CarbonylContact C-O 3.53Å; P357-R417 WeakPolarHBondContact CA-O 3.47Å; S358-R417 PolarHBondContact N-O 3.15Å; S358-R417 PolarHBondContact O-N 3.4Å; S358-R417 PolarHBondContact OG-O 2.86Å
418D89.3Confident87.4Confident16 Ų1643.1 Ų43.19%0.08624%0.242CC..  trans-149.6130.4174.9-168.6-59.3000105.5P357 D420 S425 V427P357-D418 VanDerWaalsContact CD-OD2 3.31Å; P357-D418 WeakPolarHBondContact CD-OD2 3.49Å; P357-D418 VanDerWaalsContact CG-OD2 3.29Å; P357-D418 WeakPolarHBondContact CG-OD2 3.23Å; D418-D420 WeakPolarHBondContact OD1-CB 3.44Å; D418-D420 PolarHBondContact OD1-N 2.89Å; D418-S425 WeakPolarHBondContact O-CB 3.46Å; D418-S425 WeakPolarHBondContact OD1-CA 3.27Å; D418-V427 HydrophobicContact CB-CG1 3.61Å
419D87.6Confident87.6Confident82 Ų8240.4 Ų40.444%0.43923%0.225SC..  trans-97.60.1-167.1-63.7-37.4000112N316 F355N316-D419 WeakPolarHBondContact CB-O 3.43Å; N316-D419 PolarHBondContact ND2-O 2.8Å; F355-D419 HydrophobicContact CB-CB 4.02Å; F355-D419 HydrophobicContact CD1-CB 4.33Å; F355-D419 HydrophobicContact CD2-CB 4.06Å; F355-D419 HydrophobicContact CG-CB 3.87Å
420D88.4Confident87.9Confident7 Ų742.3 Ų42.34%0.03724%0.238CC..SBendtrans-69.4-173.8163.9-65.8-29.5000110.7N353 N354 F355 D418 N424 S425N353-D420 WeakPolarHBondContact CA-OD2 3.47Å; N353-D420 VanDerWaalsContact CG-OD2 3.28Å; N353-D420 PolarHBondContact ND2-OD2 2.88Å; N354-D420 PolarHBondContact N-OD1 2.76Å; N354-D420 PolarHBondContact N-OD2 2.79Å; F355-D420 VanDerWaalsContact CD2-OD1 3.29Å; F355-D420 WeakPolarHBondContact CD2-OD1 3.42Å; F355-D420 PolarHBondContact N-OD1 2.79Å; F355-D420 PolarHBondContact N-OD2 2.87Å; D418-D420 WeakPolarHBondContact OD1-CB 3.44Å; D418-D420 PolarHBondContact OD1-N 2.89Å; D420-N424 HydrophobicContact CB-CB 3.57Å; D420-S425 WeakPolarHBondContact O-CB 3.5Å; D420-S425 PolarHBondContact O-OG 2.88Å
421T84.4Confident87.9Confident53 Ų5341.7 Ų41.733%0.32524%0.236SC..  trans-127.3160.917971.50000115.5N316 D351 D423 N424 S425N316-T421 HydrophobicContact CB-CG2 4.06Å; D351-T421 WeakPolarHBondContact CB-OG1 3.29Å; D351-T421 WeakPolarHBondContact OD1-CA 3.46Å; D351-T421 VanDerWaalsContact OD1-CB 3.26Å; D351-T421 WeakPolarHBondContact OD1-CB 3.07Å; D351-T421 WeakPolarHBondContact OD1-CG2 3.31Å; D351-T421 PolarHBondContact OD1-N 3.07Å; D351-T421 PolarHBondContact OD1-OG1 3.06Å; D351-T421 PolarHBondContact OD2-N 3.28Å; T421-D423 PolarHBondContact O-N 3.32Å; T421-D423 VanDerWaalsContact O-N 3.17Å; T421-N424 WeakPolarHBondContact O-CB 3.33Å; T421-N424 PolarHBondContact O-N 2.91Å; T421-S425 WeakPolarHBondContact CA-OG 3.47Å
422G82.9Confident87.2Confident56 Ų5645.4 Ų45.458%0.57726%0.255SS*.THydrogen-bonded Turntrans73.9-104.1168.400000115.7K426G422-K426 VanDerWaalsContact O-CE 3.22Å; G422-K426 WeakPolarHBondContact O-CE 3.39Å
423D84.1Confident85.9Confident74 Ų7447.7 Ų47.740%0.39627%0.268SS..THydrogen-bonded Turntrans-91-25.6175.6-110.214.2000111.5T421 K426 K486T421-D423 PolarHBondContact O-N 3.32Å; T421-D423 VanDerWaalsContact O-N 3.17Å; D423-K426 IonicContact OD1-NZ 2.68Å; D423-K426 PolarHBondContact OD1-NZ 2.83Å; D423-K486 IonicContact OD2-NZ 3.35Å; D423-K486 PolarHBondContact OD2-NZ 2.98Å
424N85.3Confident84.2Confident21 Ų2150.6 Ų50.611%0.11229%0.286CS..THydrogen-bonded Turntrans-68.3-53.9-175.8-65.6-12.9000109.5D351 N353 D420 T421 K426 D483D351-N424 PolarHBondContact OD2-ND2 2.88Å; N353-N424 HydrophobicContact CB-CB 4.13Å; N353-N424 PolarHBondContact N-ND2 2.9Å; N353-N424 WeakPolarHBondContact OD1-CA 3.33Å; N353-N424 WeakPolarHBondContact OD1-CB 3.26Å; N353-N424 PolarHBondContact OD1-OD1 2.58Å; D420-N424 HydrophobicContact CB-CB 3.57Å; T421-N424 WeakPolarHBondContact O-CB 3.33Å; T421-N424 PolarHBondContact O-N 2.91Å; N424-K426 PolarHBondContact O-N 2.87Å; N424-D483 WeakPolarHBondContact O-CB 3.43Å
425S86.1Confident82Confident39 Ų3957.2 Ų57.227%0.27332%0.321SS..THydrogen-bonded Turntrans-72.221.6179.149.20000117.7D418 D420 T421D418-S425 WeakPolarHBondContact O-CB 3.46Å; D418-S425 WeakPolarHBondContact OD1-CA 3.27Å; D420-S425 WeakPolarHBondContact O-CB 3.5Å; D420-S425 PolarHBondContact O-OG 2.88Å; T421-S425 WeakPolarHBondContact CA-OG 3.47Å
426K86.8Confident79.5Confident101 Ų10159 Ų5944%0.43934%0.335SS..  trans-90.1131.9168.7-69.8171.7-175.5161.40108.9G422 D423 N424 D483 Y484G422-K426 VanDerWaalsContact O-CE 3.22Å; G422-K426 WeakPolarHBondContact O-CE 3.39Å; D423-K426 IonicContact OD1-NZ 2.68Å; D423-K426 PolarHBondContact OD1-NZ 2.83Å; N424-K426 PolarHBondContact O-N 2.87Å; K426-D483 CarbonylContact O-C 3.37Å; K426-D483 WeakPolarHBondContact O-CA 3.42Å; K426-Y484 HydrophobicContact CB-CD2 3.59Å; K426-Y484 HydrophobicContact CB-CE2 4.37Å; K426-Y484 HydrophobicContact CB-CG 4.32Å; K426-Y484 WeakPolarHBondContact O-CD2 3.33Å; K426-Y484 PolarHBondContact O-N 3.35Å; K426-Y484 VanDerWaalsContact O-N 3.14Å
427V88.9Confident77Confident24 Ų2464.5 Ų64.515%0.14537%0.365CS..  trans-122.8142.3-172.2-58.10000113.5P357 V416 D418 Y459 H482P357-V427 HydrophobicContact CB-CG1 3.86Å; P357-V427 HydrophobicContact CG-CG1 3.95Å; V416-V427 HydrophobicContact CB-CG2 4.03Å; V416-V427 HydrophobicContact CG1-CB 4.01Å; V416-V427 HydrophobicContact CG1-CG1 4.2Å; V416-V427 HydrophobicContact CG1-CG2 3.8Å; D418-V427 HydrophobicContact CB-CG1 3.61Å; V427-Y459 PolarHBondContact O-OH 3.49Å; V427-H482 WeakPolarHBondContact CA-O 3.42Å
428S89.6Confident74.5Confident28 Ų2864.6 Ų64.620%0.19638%0.376CS..EExtended strand (participates in β ladder)trans-135.9129.3-179.1163.40000109.8Y459 C481 H482S428-Y459 WeakPolarHBondContact CA-OH 3.19Å; S428-C481 CarbonylContact O-C 3.5Å; S428-C481 WeakPolarHBondContact O-CA 3.31Å; S428-H482 VanDerWaalsContact CB-NE2 3.31Å; S428-H482 WeakPolarHBondContact CB-NE2 3.08Å; S428-H482 PolarHBondContact N-O 3.37Å; S428-H482 PolarHBondContact O-CE1 2.94Å; S428-H482 PolarHBondContact O-N 2.83Å; S428-H482 PolarHBondContact O-ND1 2.81Å; S428-H482 VanDerWaalsContact O-ND1 3.15Å; S428-H482 PolarHBondContact OG-CE1 3.05Å; S428-H482 PolarHBondContact OG-NE2 3.48Å
429C91.8Very high72.2Confident18 Ų1870.8 Ų70.812%0.12241%0.409CS..EExtended strand (participates in β ladder)trans-132.5149-169.3-52.30000114.4L451 Y459 V479 V480 C481C429-L451 HydrophobicContact CB-CD2 4.48Å; C429-Y459 HydrophobicContact CB-CD1 4.44Å; C429-Y459 HydrophobicContact CB-CD2 4.41Å; C429-Y459 HydrophobicContact CB-CE1 3.89Å; C429-Y459 HydrophobicContact CB-CE2 3.87Å; C429-Y459 PolarHBondContact N-OH 2.85Å; C429-Y459 VanDerWaalsContact N-OH 3.11Å; C429-Y459 VanDerWaalsContact SG-CE2 3.56Å; C429-V479 HydrophobicContact CB-CG1 4.37Å; C429-V480 CarbonylContact C-O 3.6Å; C429-V480 VanDerWaalsContact CA-O 3.26Å; C429-V480 WeakPolarHBondContact CA-O 3.5Å; C429-C481 HydrophobicContact CB-CB 4.11Å; C429-C481 WeakPolarHBondContact CB-SG 3.48Å; C429-C481 WeakPolarHBondContact SG-CB 3.48Å; C429-C481 CovalentContact SG-SG 2.04Å; C429-C481 PolarHBondContact SG-SG 2.96Å
430S90.5Very high69.8Low61 Ų6172.4 Ų72.443%0.42743%0.426SS..EExtended strand (participates in β ladder)trans-143.3169.2179.862.20000112.3V479 V480S430-V479 WeakPolarHBondContact O-CA 3.05Å; S430-V480 PolarHBondContact N-O 3.02Å; S430-V480 PolarHBondContact O-N 2.85Å
431L88Confident67.4Low33 Ų3379 Ų7917%0.17346%0.461CS..EExtended strand (participates in β ladder)trans-94132.5168.1-66.9173.1000110F449 L451 L461 T477 V479L431-F449 HydrophobicContact CD1-CB 4.22Å; L431-L451 HydrophobicContact CD1-CB 3.8Å; L431-L451 HydrophobicContact CD2-CB 4.21Å; L431-L451 HydrophobicContact CD2-CD2 4.45Å; L431-L451 HydrophobicContact CG-CB 3.68Å; L431-L451 HydrophobicContact CG-CD2 4.29Å; L431-L461 HydrophobicContact CD1-CD1 4.4Å; L431-L461 HydrophobicContact CD2-CD1 4.08Å; L431-T477 HydrophobicContact CD2-CG2 4.12Å; L431-V479 HydrophobicContact CD2-CG2 3.67Å
432N73.9Confident64.9Low78 Ų7880.1 Ų80.142%0.41748%0.484SS..  trans-10376175.4-173.121.2000110.2T434 T478 V480N432-T434 VanDerWaalsContact C-N 3.32Å; N432-T434 PolarHBondContact O-N 2.85Å; N432-T478 PolarHBondContact N-O 2.89Å; N432-V480 HydrophobicContact CB-CG2 3.69Å
433D59.7Low62.6Low49 Ų4986 Ų8626%0.26250%0.496SS..  trans-76.179.3177.4-72.9-28.2000110.8N435 Q447 T477D433-N435 PolarHBondContact O-N 2.88Å; D433-N435 VanDerWaalsContact O-N 3.12Å; D433-Q447 PolarHBondContact OD2-NE2 3Å; D433-T477 PolarHBondContact OD1-OG1 3.22Å
434T51.8Low60.2Low101 Ų10191.7 Ų91.762%0.6252%0.517SS*.THydrogen-bonded Turntrans-67.2-7178.1540000114.3N432 S436N432-T434 VanDerWaalsContact C-N 3.32Å; N432-T434 PolarHBondContact O-N 2.85Å; T434-S436 PolarHBondContact O-N 2.98Å
435N43.9Very low58Low140 Ų14095.3 Ų95.375%0.74954%0.54SS*.THydrogen-bonded Turntrans-87.123178.7-73.87.4000113.6D433 N437D433-N435 PolarHBondContact O-N 2.88Å; D433-N435 VanDerWaalsContact O-N 3.12Å; N435-N437 PolarHBondContact O-N 2.86Å
436S38.3Very low56.3Low81 Ų8198.7 Ų98.757%0.56656%0.559SS**  trans-73.461.2170.448.90000112.1T434 I438T434-S436 PolarHBondContact O-N 2.98Å; S436-I438 PolarHBondContact O-N 2.88Å
437N36.5Very low55.3Low123 Ų12399.4 Ų99.466%0.65856%0.564SS**  trans-62.2108.1171.8-89-26.3000109.9N435 L439N435-N437 PolarHBondContact O-N 2.86Å; N437-L439 VanDerWaalsContact C-N 3.27Å; N437-L439 PolarHBondContact O-N 3.44Å
438I37.8Very low55Low172 Ų172100.3 Ų100.388%0.88257%0.568SS**  trans-72.882.3178.2-53.9178.1000109.2S436S436-I438 PolarHBondContact O-N 2.88Å
439L41Very low55Low146 Ų14699 Ų9976%0.76456%0.559SS**  trans-85.4141.2169-72.5166.9000110N437 N441N437-L439 VanDerWaalsContact C-N 3.27Å; N437-L439 PolarHBondContact O-N 3.44Å; L439-N441 PolarHBondContact O-N 3.34Å
440S35.7Very low54.8Low116 Ų116102 Ų10281%0.81157%0.573SS**THydrogen-bonded Turntrans-77.718.6-151.355.20000117.2
441N38.2Very low54.8Low145 Ų145100.6 Ų100.678%0.77556%0.56SS**THydrogen-bonded Turntrans-107.86.4-172.2-74.13.7000114.8L439 E443L439-N441 PolarHBondContact O-N 3.34Å; N441-E443 PolarHBondContact O-N 3.05Å
442G31.7Very low54.9Low77 Ų77101.6 Ų101.679%0.79457%0.568SS**  trans71.5-5.3170.500000116.3
443E36Very low55.6Low178 Ų178102.6 Ų102.683%0.83258%0.579SS**  trans-72.6122.3173.9-167.6157.4-13200109.7N441 T445N441-E443 PolarHBondContact O-N 3.05Å; E443-T445 PolarHBondContact O-N 3.15Å
444K32.9Very low56.8Low195 Ų195103.9 Ų103.985%0.84859%0.592SS**  trans-68.1114.8177.9-73.7-175.5176.3-176.20108.9T446K444-T446 PolarHBondContact O-N 2.99Å; K444-T446 VanDerWaalsContact O-N 3.12Å
445T39.1Very low58.4Low97 Ų97102.6 Ų102.660%0.59558%0.584SS**PPolyproline II helixtrans-52.3119.7164.846.10000109E443 Q447E443-T445 PolarHBondContact O-N 3.15Å; T445-Q447 PolarHBondContact O-N 3.32Å
446T50.6Low60.3Low110 Ų110102.4 Ų102.468%0.67559%0.59SS**PPolyproline II helixtrans-64.5124.7179.239.10000109.2K444 N448K444-T446 PolarHBondContact O-N 2.99Å; K444-T446 VanDerWaalsContact O-N 3.12Å; T446-N448 PolarHBondContact O-N 3.17Å
447Q66.2Low62.4Low116 Ų11699.3 Ų99.354%0.54257%0.571SS.*PPolyproline II helixtrans-58.5133.8173.1-61.7-173.6-94.200108.4D433 T445 F449 A464D433-Q447 PolarHBondContact OD2-NE2 3Å; T445-Q447 PolarHBondContact O-N 3.32Å; Q447-F449 VanDerWaalsContact C-N 3.26Å; Q447-F449 PolarHBondContact O-N 3.12Å; Q447-A464 WeakPolarHBondContact O-CB 3.25Å
448N82.6Confident65Low43 Ų4396.2 Ų96.223%0.2355%0.554CS.*SBendtrans-69.3-28.1179.5-78.1-19000111.9T446 A464 K465 F467T446-N448 PolarHBondContact O-N 3.17Å; N448-A464 PolarHBondContact O-N 3.44Å; N448-K465 WeakPolarHBondContact OD1-CE 3.35Å; N448-K465 PolarHBondContact OD1-NZ 2.85Å; N448-F467 HydrophobicContact CB-CE1 4.5Å; N448-F467 HydrophobicContact CB-CZ 4.44Å
449F87.9Confident67.5Low1 Ų189.1 Ų89.10%0.00452%0.516CS..EExtended strand (participates in β ladder)trans-135.1161.1-176.1-53.2-82.1000112.7I411 L431 Q447 L461 R462 T463 I475 T477 V498I411-F449 HydrophobicContact CD1-CD1 3.79Å; I411-F449 HydrophobicContact CD1-CE1 3.63Å; L431-F449 HydrophobicContact CD1-CB 4.22Å; Q447-F449 VanDerWaalsContact C-N 3.26Å; Q447-F449 PolarHBondContact O-N 3.12Å; F449-L461 HydrophobicContact CB-CD1 3.99Å; F449-R462 CarbonylContact C-O 3.5Å; F449-R462 WeakPolarHBondContact CA-O 3.4Å; F449-R462 WeakPolarHBondContact CB-O 3.47Å; F449-T463 HydrophobicContact CD1-CG2 4.21Å; F449-T463 HydrophobicContact CE1-CG2 4.08Å; F449-I475 HydrophobicContact CE2-CG2 3.81Å; F449-I475 HydrophobicContact CZ-CB 4.43Å; F449-I475 HydrophobicContact CZ-CG2 3.8Å; F449-T477 HydrophobicContact CB-CG2 4.44Å; F449-T477 HydrophobicContact CD2-CG2 3.47Å; F449-T477 VanDerWaalsContact CD2-CG2 3.47Å; F449-T477 HydrophobicContact CE2-CG2 3.8Å; F449-T477 HydrophobicContact CG-CG2 4.01Å; F449-V498 HydrophobicContact CE1-CG2 3.95Å; F449-V498 HydrophobicContact CZ-CB 4.48Å; F449-V498 HydrophobicContact CZ-CG2 3.98Å
450I88.9Confident69.9Low81 Ų8182.4 Ų82.442%0.41548%0.482SS..EExtended strand (participates in β ladder)trans-130.6126.6175.5-53.7174.9000108.6T452 R462 A464I450-T452 HydrophobicContact CG2-CG2 4.18Å; I450-R462 HydrophobicContact CB-CB 4.5Å; I450-R462 PolarHBondContact N-O 2.98Å; I450-R462 PolarHBondContact O-N 3.41Å; I450-A464 HydrophobicContact CD1-CB 4.25Å; I450-A464 HydrophobicContact CG1-CB 4.14Å
451L90.2Very high72.5Confident30 Ų3076.9 Ų76.916%0.15744%0.443CS..EExtended strand (participates in β ladder)trans-103.1131.9174.3-174.369.9000110L414 C429 L431 Y459 L461 V479L414-L451 HydrophobicContact CD1-CD1 3.48Å; L414-L451 VanDerWaalsContact CD1-CD1 3.48Å; C429-L451 HydrophobicContact CB-CD2 4.48Å; L431-L451 HydrophobicContact CD1-CB 3.8Å; L431-L451 HydrophobicContact CD2-CB 4.21Å; L431-L451 HydrophobicContact CD2-CD2 4.45Å; L431-L451 HydrophobicContact CG-CB 3.68Å; L431-L451 HydrophobicContact CG-CD2 4.29Å; L451-Y459 HydrophobicContact CD1-CG 4.41Å; L451-Y459 HydrophobicContact CD2-CD1 4.35Å; L451-Y459 HydrophobicContact CG-CD1 4.23Å; L451-L461 HydrophobicContact CB-CD1 4.49Å; L451-L461 HydrophobicContact CD1-CD1 4.27Å; L451-V479 HydrophobicContact CD2-CG1 4.29Å
452T89.3Confident74.9Confident54 Ų5475.4 Ų75.433%0.33143%0.427SS..EExtended strand (participates in β ladder)trans-135.6121.5-175.640.40000111.6I450 S454 Y459 S460I450-T452 HydrophobicContact CG2-CG2 4.18Å; T452-S454 PolarHBondContact O-N 3.1Å; T452-Y459 CarbonylContact O-C 3.57Å; T452-Y459 WeakPolarHBondContact O-CA 3.18Å; T452-S460 PolarHBondContact N-O 3.04Å; T452-S460 PolarHBondContact O-N 3.28Å; T452-S460 WeakPolarHBondContact OG1-CB 3.33Å; T452-S460 PolarHBondContact OG1-O 2.9Å; T452-S460 PolarHBondContact OG1-OG 2.94Å
453P89.2Confident77.6Confident99 Ų9972 Ų7264%0.64339%0.39SS*.EExtended strand (participates in β ladder)trans-66.6133.2174.927.2-33000110.4Y459P453-Y459 HydrophobicContact CB-CD1 3.84Å; P453-Y459 HydrophobicContact CB-CE1 3.85Å
454S84.6Confident80Confident76 Ų7665.3 Ų65.353%0.53137%0.366SS..EExtended strand (participates in β ladder)trans-104.7-46.7-179.8-58.30000111.3T452 I458T452-S454 PolarHBondContact O-N 3.1Å; S454-I458 PolarHBondContact N-O 2.96Å
455T85.2Confident82.5Confident75 Ų7559.6 Ų59.646%0.4634%0.341SS..EExtended strand (participates in β ladder)trans-146.2169.6171.358.10000108.4G457 I458T455-G457 PolarHBondContact O-N 3.2Å; T455-I458 PolarHBondContact N-O 3.22Å; T455-I458 PolarHBondContact O-N 2.76Å; T455-I458 WeakPolarHBondContact OG1-CB 3.42Å; T455-I458 WeakPolarHBondContact OG1-CD1 3.06Å; T455-I458 WeakPolarHBondContact OG1-CG1 3.4Å
456P84.3Confident84.8Confident135 Ų13558.1 Ų58.188%0.87733%0.332SS*.THydrogen-bonded Turntrans-50.4132.6169-27.136.4000110.9I458P456-I458 PolarHBondContact O-N 3Å
457G83.7Confident86.5Confident17 Ų1753.8 Ų53.818%0.17530%0.303CS..THydrogen-bonded Turntrans69.64.3-176.100000116.4T415 V416 T455T415-G457 CarbonylContact C-O 3.47Å; T415-G457 WeakPolarHBondContact CA-O 3.44Å; V416-G457 PolarHBondContact N-O 3.14Å; V416-G457 WeakPolarHBondContact O-CA 3.46Å; T455-G457 PolarHBondContact O-N 3.2Å
458I90.3Very high87.4Confident58 Ų5851.7 Ų51.730%0.29730%0.296SS..EExtended strand (participates in β ladder)trans-134.4123.9-178.9-48.3-172.6000112V413 L414 T415 S454 T455 P456V413-I458 HydrophobicContact CG1-CG2 3.49Å; V413-I458 VanDerWaalsContact CG1-CG2 3.49Å; L414-I458 WeakPolarHBondContact O-CA 3.49Å; T415-I458 HydrophobicContact CG2-CD1 4.4Å; T415-I458 HydrophobicContact CG2-CG1 4.24Å; T415-I458 HydrophobicContact CG2-CG2 4.48Å; S454-I458 PolarHBondContact N-O 2.96Å; T455-I458 PolarHBondContact N-O 3.22Å; T455-I458 PolarHBondContact O-N 2.76Å; T455-I458 WeakPolarHBondContact OG1-CB 3.42Å; T455-I458 WeakPolarHBondContact OG1-CD1 3.06Å; T455-I458 WeakPolarHBondContact OG1-CG1 3.4Å; P456-I458 PolarHBondContact O-N 3Å
459Y91Very high87.5Confident22 Ų2251 Ų519%0.08629%0.29CS..EExtended strand (participates in β ladder)trans-123.1148.6179.3-55.9-106.1000111.4V413 L414 V416 V427 S428 C429 L451 T452 P453V413-Y459 CarbonylContact C-O 3.56Å; V413-Y459 WeakPolarHBondContact CA-O 3.46Å; L414-Y459 PolarHBondContact N-O 3.29Å; L414-Y459 PolarHBondContact O-N 2.87Å; V416-Y459 HydrophobicContact CG2-CD2 4.12Å; V416-Y459 HydrophobicContact CG2-CE2 4.18Å; V427-Y459 PolarHBondContact O-OH 3.49Å; S428-Y459 WeakPolarHBondContact CA-OH 3.19Å; C429-Y459 HydrophobicContact CB-CD1 4.44Å; C429-Y459 HydrophobicContact CB-CD2 4.41Å; C429-Y459 HydrophobicContact CB-CE1 3.89Å; C429-Y459 HydrophobicContact CB-CE2 3.87Å; C429-Y459 PolarHBondContact N-OH 2.85Å; C429-Y459 VanDerWaalsContact N-OH 3.11Å; C429-Y459 VanDerWaalsContact SG-CE2 3.56Å; L451-Y459 HydrophobicContact CD1-CG 4.41Å; L451-Y459 HydrophobicContact CD2-CD1 4.35Å; L451-Y459 HydrophobicContact CG-CD1 4.23Å; T452-Y459 CarbonylContact O-C 3.57Å; T452-Y459 WeakPolarHBondContact O-CA 3.18Å; P453-Y459 HydrophobicContact CB-CD1 3.84Å; P453-Y459 HydrophobicContact CB-CE1 3.85Å
460S90.6Very high87.1Confident6 Ų655 Ų554%0.04231%0.309CS..EExtended strand (participates in β ladder)trans-104.9124.1174.3153.60000109.5Q410 T452Q410-S460 PolarHBondContact NE2-OG 2.94Å; T452-S460 PolarHBondContact N-O 3.04Å; T452-S460 PolarHBondContact O-N 3.28Å; T452-S460 WeakPolarHBondContact OG1-CB 3.33Å; T452-S460 PolarHBondContact OG1-O 2.9Å; T452-S460 PolarHBondContact OG1-OG 2.94Å
461L90Very high86.6Confident0 Ų055.3 Ų55.30%032%0.318CS..EExtended strand (participates in β ladder)trans-99.6127.8173.6-17370.9000110.3Q410 I411 A412 L414 L431 F449 L451 I496Q410-L461 WeakPolarHBondContact CG-O 3.47Å; I411-L461 HydrophobicContact CD1-CD2 3.81Å; I411-L461 HydrophobicContact CD1-CG 4.13Å; I411-L461 HydrophobicContact CG1-CB 4.46Å; I411-L461 HydrophobicContact CG1-CD2 4.17Å; I411-L461 HydrophobicContact CG1-CG 4.14Å; I411-L461 WeakPolarHBondContact CG1-O 3.38Å; I411-L461 PolarHBondContact N-O 2.97Å; A412-L461 HydrophobicContact CB-CB 4.13Å; A412-L461 HydrophobicContact CB-CD2 4.43Å; A412-L461 PolarHBondContact N-O 3.47Å; A412-L461 PolarHBondContact O-N 3.11Å; L414-L461 HydrophobicContact CD1-CB 4.06Å; L431-L461 HydrophobicContact CD1-CD1 4.4Å; L431-L461 HydrophobicContact CD2-CD1 4.08Å; F449-L461 HydrophobicContact CB-CD1 3.99Å; L451-L461 HydrophobicContact CB-CD1 4.49Å; L451-L461 HydrophobicContact CD1-CD1 4.27Å; L461-I496 HydrophobicContact CD2-CD1 3.8Å; L461-I496 HydrophobicContact CD2-CG2 4Å
462R89.5Confident86Confident114 Ų11458.4 Ų58.443%0.4333%0.332SS..EExtended strand (participates in β ladder)trans-124.6146.4-177.8-72.5169.5167.1-110.1-8.1111.6S409 Q410 F449 I450S409-R462 CarbonylContact O-C 3.55Å; S409-R462 WeakPolarHBondContact O-CA 3.35Å; S409-R462 WeakPolarHBondContact O-CB 3.18Å; Q410-R462 HydrophobicContact CB-CG 4.1Å; Q410-R462 HydrophobicContact CG-CG 4.41Å; F449-R462 CarbonylContact C-O 3.5Å; F449-R462 WeakPolarHBondContact CA-O 3.4Å; F449-R462 WeakPolarHBondContact CB-O 3.47Å; I450-R462 HydrophobicContact CB-CB 4.5Å; I450-R462 PolarHBondContact N-O 2.98Å; I450-R462 PolarHBondContact O-N 3.41Å
463T88.2Confident85.7Confident4 Ų457.4 Ų57.43%0.02533%0.327CS..EExtended strand (participates in β ladder)trans-75.114416554.10000109.8I402 S409 I411 F449 F467I402-T463 HydrophobicContact CD1-CG2 4.22Å; S409-T463 PolarHBondContact N-OG1 3.4Å; S409-T463 PolarHBondContact O-N 2.72Å; S409-T463 PolarHBondContact O-OG1 2.7Å; I411-T463 HydrophobicContact CD1-CG2 4.04Å; I411-T463 HydrophobicContact CG1-CG2 4.32Å; I411-T463 HydrophobicContact CG2-CG2 3.72Å; F449-T463 HydrophobicContact CD1-CG2 4.21Å; F449-T463 HydrophobicContact CE1-CG2 4.08Å; T463-F467 HydrophobicContact CG2-CE2 3.73Å
464A86Confident85.5Confident38 Ų3855.3 Ų55.331%0.31431%0.312SS..  trans-104.2-19.2-177.500000113.8Q447 N448 I450Q447-A464 WeakPolarHBondContact O-CB 3.25Å; N448-A464 PolarHBondContact O-N 3.44Å; I450-A464 HydrophobicContact CD1-CB 4.25Å; I450-A464 HydrophobicContact CG1-CB 4.14Å
465K85.6Confident85.4Confident76 Ų7651.9 Ų51.933%0.3329%0.288SS..SBendtrans-137.5170.5179.166.3174.3-164.1-168.20110.1N448 F467N448-K465 WeakPolarHBondContact OD1-CE 3.35Å; N448-K465 PolarHBondContact OD1-NZ 2.85Å; K465-F467 HydrophobicContact CD-CD1 4.48Å; K465-F467 HydrophobicContact CD-CE1 4.15Å; K465-F467 VanDerWaalsContact CE-CD1 3.42Å; K465-F467 HydrophobicContact CG-CD1 4.27Å; K465-F467 HydrophobicContact CG-CE1 3.84Å; K465-F467 HydrophobicContact CG-CZ 4.02Å
466V87.4Confident85.4Confident66 Ų6656.4 Ų56.440%0.430%0.297SS..  trans-78.7156166.4-175.70000109
467F86.6Confident85.4Confident18 Ų1850.3 Ų50.38%0.07926%0.257CS..  trans-130.5150.4175.9-52.8-81.8000110.2N405 N448 T463 K465 I475 I500N405-F467 PolarHBondContact N-O 2.81Å; N448-F467 HydrophobicContact CB-CE1 4.5Å; N448-F467 HydrophobicContact CB-CZ 4.44Å; T463-F467 HydrophobicContact CG2-CE2 3.73Å; K465-F467 HydrophobicContact CD-CD1 4.48Å; K465-F467 HydrophobicContact CD-CE1 4.15Å; K465-F467 VanDerWaalsContact CE-CD1 3.42Å; K465-F467 HydrophobicContact CG-CD1 4.27Å; K465-F467 HydrophobicContact CG-CE1 3.84Å; K465-F467 HydrophobicContact CG-CZ 4.02Å; F467-I475 HydrophobicContact CB-CD1 4.43Å; F467-I475 HydrophobicContact CD1-CD1 3.08Å; F467-I475 HydrophobicContact CE1-CD1 3.21Å; F467-I475 HydrophobicContact CE1-CG2 4.5Å; F467-I475 HydrophobicContact CG-CD1 3.85Å; F467-I475 HydrophobicContact CZ-CD1 4.12Å; F467-I500 HydrophobicContact CB-CD1 3.53Å; F467-I500 HydrophobicContact CB-CG1 4.18Å; F467-I500 HydrophobicContact CD1-CD1 4.48Å; F467-I500 HydrophobicContact CG-CD1 4.01Å
468D84.3Confident85.6Confident72 Ų7251 Ų5139%0.38526%0.258SS..  trans-117.2150.2169.18839.7000109.4S471 E472D468-S471 PolarHBondContact O-OG 3.04Å; D468-S471 WeakPolarHBondContact OD1-CB 3.15Å; D468-S471 PolarHBondContact OD1-N 3.38Å; D468-S471 PolarHBondContact OD1-OG 2.76Å; D468-E472 PolarHBondContact O-N 2.8Å
469Y84.2Confident85.5Confident28 Ų2848.4 Ų48.411%0.1125%0.245CC..Hα-helixtrans-85.1-41.2-167.2172.9-99.4000112.7E404 S471 E472 S473 I500 D502 R539E404-Y469 VanDerWaalsContact CD-CB 3.48Å; E404-Y469 WeakPolarHBondContact OE1-CB 3.48Å; E404-Y469 WeakPolarHBondContact OE2-CB 3.44Å; E404-Y469 PolarHBondContact OE2-N 3.15Å; Y469-S471 PolarHBondContact O-N 3.12Å; Y469-E472 PolarHBondContact O-N 2.95Å; Y469-S473 VanDerWaalsContact CD2-CB 3.47Å; Y469-S473 PolarHBondContact O-N 2.85Å; Y469-I500 HydrophobicContact CD2-CB 4.3Å; Y469-I500 HydrophobicContact CD2-CG2 4.14Å; Y469-I500 VanDerWaalsContact CD2-O 3.23Å; Y469-I500 WeakPolarHBondContact CD2-O 3.41Å; Y469-I500 WeakPolarHBondContact CE2-O 3.33Å; Y469-I500 HydrophobicContact CG-CG2 4.47Å; Y469-D502 HydrophobicContact CD1-CB 3.73Å; Y469-D502 HydrophobicContact CD2-CB 4.21Å; Y469-D502 HydrophobicContact CE1-CB 3.57Å; Y469-D502 WeakPolarHBondContact CE1-OD2 3.4Å; Y469-D502 HydrophobicContact CE2-CB 4.04Å; Y469-D502 HydrophobicContact CG-CB 4.04Å; Y469-D502 PolarHBondContact OH-OD2 3.07Å; Y469-R539 HydrophobicContact CE1-CB 3.56Å; Y469-R539 HydrophobicContact CE1-CG 4.47Å; Y469-R539 PolarHBondContact OH-NH1 2.88Å
470E80.1Confident85.6Confident87 Ų8748.9 Ų48.941%0.40725%0.25SC..Hα-helixtrans-55.1-32.9175-85.943.7-114.200112.6
471S78.5Confident85.6Confident86 Ų8648.6 Ų48.660%0.60125%0.248SC*.Hα-helixtrans-85.4-45.5177.566.70000114.3D468 Y469D468-S471 PolarHBondContact O-OG 3.04Å; D468-S471 WeakPolarHBondContact OD1-CB 3.15Å; D468-S471 PolarHBondContact OD1-N 3.38Å; D468-S471 PolarHBondContact OD1-OG 2.76Å; Y469-S471 PolarHBondContact O-N 3.12Å
472E78.4Confident85.6Confident96 Ų9651.2 Ų51.245%0.44926%0.26SS..Hα-helixtrans-15165.3-175.3-161.1179.9-161.900113.7D468 Y469 T474 I475 I500D468-E472 PolarHBondContact O-N 2.8Å; Y469-E472 PolarHBondContact O-N 2.95Å; E472-T474 PolarHBondContact O-N 3.4Å; E472-I475 HydrophobicContact CB-CD1 4.44Å; E472-I475 HydrophobicContact CB-CG1 4.43Å; E472-I475 HydrophobicContact CG-CD1 4.31Å; E472-I475 HydrophobicContact CG-CG1 3.87Å; E472-I475 WeakPolarHBondContact OE2-CD1 3.43Å; E472-I500 VanDerWaalsContact O-CD1 3.24Å; E472-I500 WeakPolarHBondContact O-CD1 3.41Å
473S82.5Confident85.6Confident33 Ų3345.8 Ų45.823%0.23124%0.24CC..SBendtrans-46.5-7.1177.360.10000119.3Y469 I500Y469-S473 VanDerWaalsContact CD2-CB 3.47Å; Y469-S473 PolarHBondContact O-N 2.85Å; S473-I500 PolarHBondContact O-N 3.04Å
474T84.1Confident85.4Confident54 Ų5451.2 Ų51.233%0.33126%0.26SS..EExtended strand (participates in β ladder)trans-154.1121.9176.3-62.90000112.1E472 T497E472-T474 PolarHBondContact O-N 3.4Å; T474-T497 HydrophobicContact CG2-CG2 3.42Å; T474-T497 VanDerWaalsContact CG2-CG2 3.42Å
475I84Confident85Confident4 Ų449.7 Ų49.72%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-120.3145.5-174.7-56.9-175.7000110.3F449 F467 E472 V498 I500F449-I475 HydrophobicContact CE2-CG2 3.81Å; F449-I475 HydrophobicContact CZ-CB 4.43Å; F449-I475 HydrophobicContact CZ-CG2 3.8Å; F467-I475 HydrophobicContact CB-CD1 4.43Å; F467-I475 HydrophobicContact CD1-CD1 3.08Å; F467-I475 HydrophobicContact CE1-CD1 3.21Å; F467-I475 HydrophobicContact CE1-CG2 4.5Å; F467-I475 HydrophobicContact CG-CD1 3.85Å; F467-I475 HydrophobicContact CZ-CD1 4.12Å; E472-I475 HydrophobicContact CB-CD1 4.44Å; E472-I475 HydrophobicContact CB-CG1 4.43Å; E472-I475 HydrophobicContact CG-CD1 4.31Å; E472-I475 HydrophobicContact CG-CG1 3.87Å; E472-I475 WeakPolarHBondContact OE2-CD1 3.43Å; I475-V498 PolarHBondContact N-O 2.86Å; I475-V498 PolarHBondContact O-N 2.81Å; I475-I500 HydrophobicContact CD1-CD1 3.62Å; I475-I500 HydrophobicContact CG1-CD1 3.92Å
476R84.5Confident84.4Confident171 Ų17152.5 Ų52.565%0.64526%0.261SS*.EExtended strand (participates in β ladder)trans-130.6145.5-173.7-58.6179.7-173171.23.2112.2V495 I496 T497R476-V495 HydrophobicContact CB-CG1 4.4Å; R476-I496 WeakPolarHBondContact CA-O 3.35Å; R476-T497 HydrophobicContact CG-CG2 4.29Å
477T84.9Confident83.6Confident6 Ų656.3 Ų56.34%0.03729%0.286CS..EExtended strand (participates in β ladder)trans-141.4165.4163.8-172.50000109.6L431 D433 F449 I496L431-T477 HydrophobicContact CD2-CG2 4.12Å; D433-T477 PolarHBondContact OD1-OG1 3.22Å; F449-T477 HydrophobicContact CB-CG2 4.44Å; F449-T477 HydrophobicContact CD2-CG2 3.47Å; F449-T477 VanDerWaalsContact CD2-CG2 3.47Å; F449-T477 HydrophobicContact CE2-CG2 3.8Å; F449-T477 HydrophobicContact CG-CG2 4.01Å; T477-I496 HydrophobicContact CG2-CB 4.33Å; T477-I496 PolarHBondContact N-O 2.56Å; T477-I496 PolarHBondContact O-N 2.75Å
478T87Confident83.1Confident33 Ų3362.1 Ų62.120%0.20231%0.314CS..EExtended strand (participates in β ladder)trans-120.7116.4-179.4-53.80000109.8N432 V480 A493 V495N432-T478 PolarHBondContact N-O 2.89Å; T478-V480 HydrophobicContact CG2-CG2 4.03Å; T478-A493 HydrophobicContact CG2-CB 4.01Å; T478-V495 HydrophobicContact CG2-CG2 4.49Å
479V89.2Confident83Confident2 Ų263.3 Ų63.31%0.01232%0.317CS..EExtended strand (participates in β ladder)trans-83.8126.2167.6176.30000107.7I359 L414 C429 S430 L431 L451 A493 R494 I496I359-V479 HydrophobicContact CD1-CG1 4.34Å; L414-V479 HydrophobicContact CD1-CG2 3.83Å; C429-V479 HydrophobicContact CB-CG1 4.37Å; S430-V479 WeakPolarHBondContact O-CA 3.05Å; L431-V479 HydrophobicContact CD2-CG2 3.67Å; L451-V479 HydrophobicContact CD2-CG1 4.29Å; V479-A493 CarbonylContact O-C 3.47Å; V479-A493 WeakPolarHBondContact O-CA 3.29Å; V479-R494 PolarHBondContact N-O 3.16Å; V479-R494 PolarHBondContact O-N 2.76Å; V479-I496 HydrophobicContact CB-CD1 4.34Å; V479-I496 HydrophobicContact CG2-CD1 3.47Å; V479-I496 VanDerWaalsContact CG2-CD1 3.47Å; V479-I496 HydrophobicContact CG2-CG1 4.33Å
480V91.2Very high83.2Confident32 Ų3263.9 Ų63.919%0.19432%0.322CS..EExtended strand (participates in β ladder)trans-114.4126.3175.4-178.40000108.3C429 S430 N432 T478 S492 A493C429-V480 CarbonylContact C-O 3.6Å; C429-V480 VanDerWaalsContact CA-O 3.26Å; C429-V480 WeakPolarHBondContact CA-O 3.5Å; S430-V480 PolarHBondContact N-O 3.02Å; S430-V480 PolarHBondContact O-N 2.85Å; N432-V480 HydrophobicContact CB-CG2 3.69Å; T478-V480 HydrophobicContact CG2-CG2 4.03Å; V480-S492 CarbonylContact C-O 3.33Å; V480-S492 WeakPolarHBondContact CA-O 3.07Å; V480-A493 HydrophobicContact CG2-CB 4.1Å
481C91.2Very high83.6Confident0 Ų064.4 Ų64.40%033%0.331CS..EExtended strand (participates in β ladder)trans-115.3147.8174.9-65.60000110.2P357 I359 V416 S428 C429 T491 S492P357-C481 HydrophobicContact CB-CB 4.11Å; I359-C481 HydrophobicContact CD1-CB 3.92Å; I359-C481 VanDerWaalsContact CD1-SG 3.58Å; I359-C481 HydrophobicContact CG1-CB 4.15Å; V416-C481 HydrophobicContact CG1-CB 4.23Å; S428-C481 CarbonylContact O-C 3.5Å; S428-C481 WeakPolarHBondContact O-CA 3.31Å; C429-C481 HydrophobicContact CB-CB 4.11Å; C429-C481 WeakPolarHBondContact CB-SG 3.48Å; C429-C481 WeakPolarHBondContact SG-CB 3.48Å; C429-C481 CovalentContact SG-SG 2.04Å; C429-C481 PolarHBondContact SG-SG 2.96Å; C481-T491 CarbonylContact O-C 3.49Å; C481-T491 VanDerWaalsContact O-CA 3.27Å; C481-T491 WeakPolarHBondContact O-CA 3.43Å; C481-S492 PolarHBondContact N-O 3.02Å; C481-S492 PolarHBondContact O-N 2.92Å
482H90Very high84.1Confident56 Ų5661.5 Ų61.526%0.25931%0.311SS..EExtended strand (participates in β ladder)trans-133.614817352-85.4000109.8V427 S428 L490 T491V427-H482 WeakPolarHBondContact CA-O 3.42Å; S428-H482 VanDerWaalsContact CB-NE2 3.31Å; S428-H482 WeakPolarHBondContact CB-NE2 3.08Å; S428-H482 PolarHBondContact N-O 3.37Å; S428-H482 PolarHBondContact O-CE1 2.94Å; S428-H482 PolarHBondContact O-N 2.83Å; S428-H482 PolarHBondContact O-ND1 2.81Å; S428-H482 VanDerWaalsContact O-ND1 3.15Å; S428-H482 PolarHBondContact OG-CE1 3.05Å; S428-H482 PolarHBondContact OG-NE2 3.48Å; H482-L490 WeakPolarHBondContact CA-O 3.47Å; H482-T491 HydrophobicContact CB-CG2 3.91Å
483D89.6Confident84.6Confident0 Ų060.3 Ų60.30%032%0.317CS..  trans-77.9-172.7172.466.326.7000111.8N353 P357 N424 K426 G485 Q489 L490N353-D483 PolarHBondContact ND2-OD2 2.93Å; P357-D483 HydrophobicContact CG-CB 4.09Å; N424-D483 WeakPolarHBondContact O-CB 3.43Å; K426-D483 CarbonylContact O-C 3.37Å; K426-D483 WeakPolarHBondContact O-CA 3.42Å; D483-G485 WeakPolarHBondContact OD1-CA 3.22Å; D483-G485 PolarHBondContact OD1-N 2.81Å; D483-Q489 PolarHBondContact O-NE2 2.85Å; D483-Q489 WeakPolarHBondContact OD1-CA 3.37Å; D483-Q489 WeakPolarHBondContact OD1-CB 3.05Å; D483-Q489 WeakPolarHBondContact OD1-CG 3.36Å; D483-L490 VanDerWaalsContact CG-N 3.27Å; D483-L490 PolarHBondContact N-O 2.66Å; D483-L490 VanDerWaalsContact N-O 3.15Å; D483-L490 PolarHBondContact OD1-N 3.45Å; D483-L490 WeakPolarHBondContact OD2-CA 3.13Å; D483-L490 WeakPolarHBondContact OD2-CB 3.14Å; D483-L490 PolarHBondContact OD2-N 3.03Å
484Y85.1Confident84.7Confident117 Ų11761.8 Ų61.846%0.45932%0.318SS..  trans-11027.5166.4-75.3-90.5000112.8K426K426-Y484 HydrophobicContact CB-CD2 3.59Å; K426-Y484 HydrophobicContact CB-CE2 4.37Å; K426-Y484 HydrophobicContact CB-CG 4.32Å; K426-Y484 WeakPolarHBondContact O-CD2 3.33Å; K426-Y484 PolarHBondContact O-N 3.35Å; K426-Y484 VanDerWaalsContact O-N 3.14Å
485G77.2Confident84.9Confident6 Ų663.1 Ų63.16%0.06233%0.326CS..  trans-62.5153.2-170.500000116.7N353 D483 Q488 Q489N353-G485 WeakPolarHBondContact OD1-CA 3.32Å; D483-G485 WeakPolarHBondContact OD1-CA 3.22Å; D483-G485 PolarHBondContact OD1-N 2.81Å; G485-Q488 CarbonylContact C-O 3.56Å; G485-Q489 WeakPolarHBondContact O-CG 3.27Å
486K72.3Confident84.9Confident136 Ų13663.2 Ų63.259%0.59133%0.327SS*.SBendtrans-138.2135.4177-62.2172.7-164.8118.40109.2D423D423-K486 IonicContact OD2-NZ 3.35Å; D423-K486 PolarHBondContact OD2-NZ 2.98Å
487P69.7Low84.9Confident145 Ų14557.2 Ų57.294%0.94231%0.309SS*.SBendcis-83.3-11.78.333.9-37.3000114.9
488Q76.3Confident84.9Confident141 Ų14157 Ų5766%0.65931%0.308SS*.SBendtrans-124.7138179.5173.6172.1-16.400108.7G485G485-Q488 CarbonylContact C-O 3.56Å
489Q83.1Confident84.8Confident97 Ų9759 Ų5945%0.45332%0.315SS..  trans-82.7131.6168.8-65.5178-78.700109.6D483 G485D483-Q489 PolarHBondContact O-NE2 2.85Å; D483-Q489 WeakPolarHBondContact OD1-CA 3.37Å; D483-Q489 WeakPolarHBondContact OD1-CB 3.05Å; D483-Q489 WeakPolarHBondContact OD1-CG 3.36Å; G485-Q489 WeakPolarHBondContact O-CG 3.27Å
490L87.6Confident84.6Confident40 Ų4059.2 Ų59.221%0.20932%0.316CS..  trans-85.8147.1168.4-55176.2000109.6N353 P356 H482 D483N353-L490 WeakPolarHBondContact ND2-CD1 3.21Å; N353-L490 WeakPolarHBondContact ND2-CG 3.43Å; P356-L490 HydrophobicContact CB-CB 3.99Å; P356-L490 HydrophobicContact CB-CD1 4.31Å; H482-L490 WeakPolarHBondContact CA-O 3.47Å; D483-L490 VanDerWaalsContact CG-N 3.27Å; D483-L490 PolarHBondContact N-O 2.66Å; D483-L490 VanDerWaalsContact N-O 3.15Å; D483-L490 PolarHBondContact OD1-N 3.45Å; D483-L490 WeakPolarHBondContact OD2-CA 3.13Å; D483-L490 WeakPolarHBondContact OD2-CB 3.14Å; D483-L490 PolarHBondContact OD2-N 3.03Å
491T89Confident84.1Confident97 Ų9760.3 Ų60.360%0.59532%0.32SS*.EExtended strand (participates in β ladder)trans-134.6136.4-176.768.10000110.3C481 H482C481-T491 CarbonylContact O-C 3.49Å; C481-T491 VanDerWaalsContact O-CA 3.27Å; C481-T491 WeakPolarHBondContact O-CA 3.43Å; H482-T491 HydrophobicContact CB-CG2 3.91Å
492S89Confident83.7Confident25 Ų2561.3 Ų61.318%0.17533%0.325CS..EExtended strand (participates in β ladder)trans-119.5152.8174.2650000110.7P357 I359 V480 C481P357-S492 WeakPolarHBondContact O-CB 3.45Å; P357-S492 PolarHBondContact O-OG 2.8Å; I359-S492 WeakPolarHBondContact CD1-OG 3.4Å; V480-S492 CarbonylContact C-O 3.33Å; V480-S492 WeakPolarHBondContact CA-O 3.07Å; C481-S492 PolarHBondContact N-O 3.02Å; C481-S492 PolarHBondContact O-N 2.92Å
493A88.9Confident83.2Confident71 Ų7161.2 Ų61.259%0.58733%0.328SS*.EExtended strand (participates in β ladder)trans-135.9126.3177.200000109.5T478 V479 V480T478-A493 HydrophobicContact CG2-CB 4.01Å; V479-A493 CarbonylContact O-C 3.47Å; V479-A493 WeakPolarHBondContact O-CA 3.29Å; V480-A493 HydrophobicContact CG2-CB 4.1Å
494R85.7Confident82.7Confident64 Ų6462.5 Ų62.524%0.24234%0.335CS..EExtended strand (participates in β ladder)trans-114.6117.2172-176.9166.4176.5166.3-2.4109I359 G397 V479 I496I359-R494 HydrophobicContact CB-CB 4.02Å; I359-R494 HydrophobicContact CD1-CB 4.07Å; I359-R494 HydrophobicContact CG2-CB 3.98Å; I359-R494 WeakPolarHBondContact O-CD 3.33Å; I359-R494 PolarHBondContact O-NH1 3.28Å; G397-R494 PolarHBondContact O-NH2 3.25Å; V479-R494 PolarHBondContact N-O 3.16Å; V479-R494 PolarHBondContact O-N 2.76Å; R494-I496 PolarHBondContact O-N 3.48Å
495V87Confident82.4Confident83 Ų8362.1 Ų62.150%0.50334%0.338SS..EExtended strand (participates in β ladder)trans-69.4125.8165.5-178.80000107.4R476 T478R476-V495 HydrophobicContact CB-CG1 4.4Å; T478-V495 HydrophobicContact CG2-CG2 4.49Å
496I85.1Confident82.6Confident6 Ų664.9 Ų64.93%0.03135%0.348CS..EExtended strand (participates in β ladder)trans-105.2109.9174.3-59.5-176.5000106.3L400 L414 L461 R476 T477 V479 R494 V498L400-I496 HydrophobicContact CD1-CG2 3.48Å; L400-I496 VanDerWaalsContact CD1-CG2 3.48Å; L414-I496 HydrophobicContact CD1-CD1 3.99Å; L414-I496 HydrophobicContact CD2-CD1 3.72Å; L414-I496 HydrophobicContact CG-CD1 4.38Å; L461-I496 HydrophobicContact CD2-CD1 3.8Å; L461-I496 HydrophobicContact CD2-CG2 4Å; R476-I496 WeakPolarHBondContact CA-O 3.35Å; T477-I496 HydrophobicContact CG2-CB 4.33Å; T477-I496 PolarHBondContact N-O 2.56Å; T477-I496 PolarHBondContact O-N 2.75Å; V479-I496 HydrophobicContact CB-CD1 4.34Å; V479-I496 HydrophobicContact CG2-CD1 3.47Å; V479-I496 VanDerWaalsContact CG2-CD1 3.47Å; V479-I496 HydrophobicContact CG2-CG1 4.33Å; R494-I496 PolarHBondContact O-N 3.48Å; I496-V498 HydrophobicContact CG2-CG2 4.4Å
497T84Confident83.1Confident44 Ų4464.2 Ų64.227%0.2735%0.347SS..EExtended strand (participates in β ladder)trans-90.6132.4170.2-55.60000108.1T474 R476T474-T497 HydrophobicContact CG2-CG2 3.42Å; T474-T497 VanDerWaalsContact CG2-CG2 3.42Å; R476-T497 HydrophobicContact CG-CG2 4.29Å
498V84.1Confident84Confident3 Ų357.4 Ų57.42%0.01830%0.303CS..EExtended strand (participates in β ladder)trans-115.2117.6170-176.70000107L400 I402 I411 F449 I475 I496L400-V498 HydrophobicContact CB-CG2 4.3Å; L400-V498 CarbonylContact O-C 3.55Å; L400-V498 VanDerWaalsContact O-CA 3.27Å; L400-V498 WeakPolarHBondContact O-CA 3.16Å; I402-V498 HydrophobicContact CG2-CG1 3.83Å; I411-V498 HydrophobicContact CD1-CG2 3.71Å; F449-V498 HydrophobicContact CE1-CG2 3.95Å; F449-V498 HydrophobicContact CZ-CB 4.48Å; F449-V498 HydrophobicContact CZ-CG2 3.98Å; I475-V498 PolarHBondContact N-O 2.86Å; I475-V498 PolarHBondContact O-N 2.81Å; I496-V498 HydrophobicContact CG2-CG2 4.4Å
499Q84.9Confident84.6Confident75 Ų7557.8 Ų57.835%0.3530%0.304SS..EExtended strand (participates in β ladder)trans-77.1142.9166-66.3-167.56.400108.9E399 L400 S401 I402E399-Q499 HydrophobicContact CG-CG 4.15Å; E399-Q499 PolarHBondContact OE1-NE2 3.23Å; E399-Q499 PolarHBondContact OE2-NE2 3.39Å; E399-Q499 VanDerWaalsContact OE2-NE2 3.16Å; L400-Q499 PolarHBondContact O-N 2.8Å; S401-Q499 WeakPolarHBondContact CA-O 3.24Å; I402-Q499 PolarHBondContact N-O 2.82Å
500I85Confident85Confident6 Ų654.4 Ų54.43%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-98.7136.1166.6-69.5149.3000107.2I402 E404 F467 Y469 E472 S473 I475I402-I500 HydrophobicContact CG2-CG1 4.06Å; I402-I500 CarbonylContact O-C 3.57Å; I402-I500 WeakPolarHBondContact O-CA 3.38Å; E404-I500 HydrophobicContact CB-CG2 3.55Å; F467-I500 HydrophobicContact CB-CD1 3.53Å; F467-I500 HydrophobicContact CB-CG1 4.18Å; F467-I500 HydrophobicContact CD1-CD1 4.48Å; F467-I500 HydrophobicContact CG-CD1 4.01Å; Y469-I500 HydrophobicContact CD2-CB 4.3Å; Y469-I500 HydrophobicContact CD2-CG2 4.14Å; Y469-I500 VanDerWaalsContact CD2-O 3.23Å; Y469-I500 WeakPolarHBondContact CD2-O 3.41Å; Y469-I500 WeakPolarHBondContact CE2-O 3.33Å; Y469-I500 HydrophobicContact CG-CG2 4.47Å; E472-I500 VanDerWaalsContact O-CD1 3.24Å; E472-I500 WeakPolarHBondContact O-CD1 3.41Å; S473-I500 PolarHBondContact O-N 3.04Å; I475-I500 HydrophobicContact CD1-CD1 3.62Å; I475-I500 HydrophobicContact CG1-CD1 3.92Å
501I81.2Confident85Confident55 Ų5556.1 Ų56.128%0.28230%0.304SS..EExtended strand (participates in β ladder)trans-95.2116.8177.7-60.2164.2000108.5L368 S401 I402 L403 E404L368-I501 HydrophobicContact CB-CD1 4.31Å; L368-I501 HydrophobicContact CD1-CD1 3.71Å; S401-I501 WeakPolarHBondContact OG-CD1 3.23Å; I402-I501 PolarHBondContact O-N 2.89Å; L403-I501 HydrophobicContact CD1-CB 4.07Å; L403-I501 HydrophobicContact CD1-CG2 3.89Å; E404-I501 PolarHBondContact N-O 3.13Å
502D82.7Confident85Confident20 Ų2059.1 Ų59.111%0.10730%0.304CS..  trans-42.3131.6164.7-166.2-43.1000113E404 Y469 R539 A540E404-D502 WeakPolarHBondContact OE1-CA 3.34Å; Y469-D502 HydrophobicContact CD1-CB 3.73Å; Y469-D502 HydrophobicContact CD2-CB 4.21Å; Y469-D502 HydrophobicContact CE1-CB 3.57Å; Y469-D502 WeakPolarHBondContact CE1-OD2 3.4Å; Y469-D502 HydrophobicContact CE2-CB 4.04Å; Y469-D502 HydrophobicContact CG-CB 4.04Å; Y469-D502 PolarHBondContact OH-OD2 3.07Å; D502-R539 WeakPolarHBondContact OD2-CA 3.27Å; D502-R539 WeakPolarHBondContact OD2-CB 3.26Å; D502-R539 PolarHBondContact OD2-N 2.84Å; D502-R539 VanDerWaalsContact OD2-N 3.12Å; D502-A540 HydrophobicContact CB-CB 4.11Å; D502-A540 VanDerWaalsContact OD2-CB 3.26Å; D502-A540 WeakPolarHBondContact OD2-CB 3.45Å; D502-A540 PolarHBondContact OD2-N 3.33Å
503V79.8Confident84.8Confident54 Ų5468.9 Ų68.933%0.32734%0.337SS..  trans-122.8103.3175.71770000110.5L403 E404 E505L403-V503 HydrophobicContact CD1-CG2 3.54Å; L403-V503 HydrophobicContact CD2-CG2 3.88Å; L403-V503 HydrophobicContact CG-CG2 3.49Å; L403-V503 VanDerWaalsContact CG-CG2 3.49Å; E404-V503 HydrophobicContact CG-CB 4.13Å; E404-V503 HydrophobicContact CG-CG2 3.93Å; E404-V503 PolarHBondContact OE1-N 2.79Å; V503-E505 PolarHBondContact O-N 2.85Å
504N79.2Confident84.9Confident28 Ų2869.4 Ų69.415%0.1533%0.333CS..  trans-48.895-178.6-167.2107.2000113.9D538 D610N504-D538 VanDerWaalsContact CA-OD1 3.31Å; N504-D538 WeakPolarHBondContact CA-OD1 2.91Å; N504-D610 PolarHBondContact ND2-OD2 2.9Å
505E79.5Confident85.2Confident108 Ų10867 Ų6751%0.50532%0.324SS..  trans-121.7-8.9-175.468.3167.7-140.800114.7V503 D538V503-E505 PolarHBondContact O-N 2.85Å; E505-D538 PolarHBondContact N-OD1 2.89Å
506F80.8Confident85.4Confident64 Ų6468.3 Ų68.328%0.28133%0.332SS..  trans-100-174.3170.6-53.8-79.6000112.7R537 D538 F617F506-R537 HydrophobicContact CB-CB 3.87Å; F506-R537 HydrophobicContact CB-CG 4.42Å; F506-R537 HydrophobicContact CD1-CB 4.4Å; F506-R537 HydrophobicContact CD2-CB 3.54Å; F506-R537 HydrophobicContact CE2-CB 4.21Å; F506-R537 HydrophobicContact CG-CB 3.66Å; F506-R537 HydrophobicContact CG-CG 4.29Å; F506-D538 WeakPolarHBondContact CA-OD2 2.92Å; F506-D538 VanDerWaalsContact CB-OD2 3.27Å; F506-D538 WeakPolarHBondContact CB-OD2 3.43Å; F506-D538 WeakPolarHBondContact CD2-OD1 3.26Å; F506-D538 PolarHBondContact N-OD1 3.45Å; F506-D538 VanDerWaalsContact N-OD1 3.09Å; F506-D538 PolarHBondContact N-OD2 2.72Å; F506-D538 VanDerWaalsContact N-OD2 3.16Å; F506-F617 WeakPolarHBondContact O-CD2 3.41Å; F506-F617 WeakPolarHBondContact O-CE2 3.41Å
507Q82.9Confident85.6Confident123 Ų12369.9 Ų69.958%0.57534%0.343SS*.  trans-148.6149.4-173.858.3140.7102.300112.4D536 F617Q507-D536 VanDerWaalsContact C-OD1 3.25Å; Q507-D536 PolarHBondContact N-OD1 3.09Å; Q507-D536 VanDerWaalsContact N-OD1 3.09Å; Q507-F617 HydrophobicContact CB-CB 3.54Å; Q507-F617 HydrophobicContact CB-CD1 4.35Å; Q507-F617 HydrophobicContact CB-CD2 4.41Å; Q507-F617 HydrophobicContact CB-CG 3.88Å
508P89.3Confident85.9Confident1 Ų169.4 Ų69.41%0.00635%0.348CS..  trans-78.4137.5-164.227.7-34.4000113.1L535 D536 L543 V608 A619P508-L535 WeakPolarHBondContact CA-O 2.98Å; P508-D536 VanDerWaalsContact CA-OD2 3.27Å; P508-D536 WeakPolarHBondContact CA-OD2 3.17Å; P508-D536 WeakPolarHBondContact CB-OD2 3.37Å; P508-D536 WeakPolarHBondContact CD-OD2 3.05Å; P508-L543 HydrophobicContact CB-CD2 3.64Å; P508-V608 HydrophobicContact CB-CG1 3.95Å; P508-V608 HydrophobicContact CG-CG1 4.01Å; P508-A619 HydrophobicContact CG-CB 4.44Å; P508-A619 WeakPolarHBondContact O-CB 3.34Å
509E88.3Confident86.3Confident149 Ų14969.4 Ų69.470%0.69635%0.347SS*.EExtended strand (participates in β ladder)trans-119.4122.1-178.8-174.3175.5-162.400112.2A534 L535E509-A534 CarbonylContact O-C 3.47Å; E509-A534 WeakPolarHBondContact O-CA 3.24Å; E509-A534 WeakPolarHBondContact O-CB 3.32Å; E509-L535 PolarHBondContact N-O 3.08Å; E509-L535 PolarHBondContact O-N 2.76Å
510F92.1Very high86.6Confident26 Ų2667.6 Ų67.611%0.11434%0.342CS..EExtended strand (participates in β ladder)trans-75.2137.8176.2-85-72.6000113.1R512 T533 A534 Y545 V606 V608 A619 T621F510-R512 PolarHBondContact O-N 3.36Å; F510-T533 WeakPolarHBondContact CA-O 3.31Å; F510-T533 WeakPolarHBondContact CD1-O 3.4Å; F510-A534 HydrophobicContact CD1-CB 3.97Å; F510-A534 HydrophobicContact CE1-CB 4.25Å; F510-A534 HydrophobicContact CG-CB 4.25Å; F510-Y545 HydrophobicContact CE1-CD1 4.1Å; F510-Y545 AromaticContact CE1-CE1 3.84Å; F510-Y545 HydrophobicContact CE1-CE1 3.84Å; F510-Y545 HydrophobicContact CZ-CD1 4.32Å; F510-Y545 HydrophobicContact CZ-CE1 4.37Å; F510-V606 HydrophobicContact CE1-CG1 4.39Å; F510-V606 HydrophobicContact CZ-CG1 3.97Å; F510-V608 HydrophobicContact CD2-CG1 4.19Å; F510-V608 HydrophobicContact CE1-CG1 4.46Å; F510-V608 HydrophobicContact CE2-CB 4.06Å; F510-V608 HydrophobicContact CE2-CG1 3.52Å; F510-V608 HydrophobicContact CZ-CB 3.72Å; F510-V608 HydrophobicContact CZ-CG1 3.67Å; F510-A619 HydrophobicContact CD2-CB 4.14Å; F510-A619 HydrophobicContact CE2-CB 4.34Å; F510-T621 HydrophobicContact CD1-CG2 3.69Å; F510-T621 HydrophobicContact CD2-CG2 3.97Å; F510-T621 HydrophobicContact CE1-CG2 3.58Å; F510-T621 HydrophobicContact CE2-CG2 3.86Å; F510-T621 HydrophobicContact CG-CG2 3.89Å; F510-T621 HydrophobicContact CZ-CG2 3.67Å
511S86.8Confident86.9Confident76 Ų7667.4 Ų67.453%0.53134%0.341SS..SBendtrans-68.1-15.2178.970.70000115Y515 T533S511-Y515 PolarHBondContact OG-OH 2.89Å; S511-Y515 VanDerWaalsContact OG-OH 3.08Å; S511-T533 PolarHBondContact N-O 3.16Å; S511-T533 PolarHBondContact OG-O 3.21Å; S511-T533 PolarHBondContact OG-OG1 3.12Å
512R88.1Confident87.2Confident160 Ų16068.8 Ų68.860%0.60435%0.349SS*.  trans-147.3149.7173.3-58.9-174.8178.9-1731.6111.6F510 Y515 T621F510-R512 PolarHBondContact O-N 3.36Å; R512-Y515 HydrophobicContact CB-CD2 4.3Å; R512-Y515 HydrophobicContact CB-CE1 4.24Å; R512-Y515 HydrophobicContact CB-CE2 3.78Å; R512-Y515 HydrophobicContact CG-CE1 4.27Å; R512-T621 PolarHBondContact O-OG1 2.78Å
513R86.7Confident87.4Confident230 Ų23068.3 Ų68.387%0.86835%0.348SS*.SBendtrans-80.3-24173.9-64.3-174.7177.8-161.4-2.9114.4T621 T622R513-T621 VanDerWaalsContact C-OG1 3.26Å; R513-T621 PolarHBondContact O-OG1 3.28Å; R513-T622 PolarHBondContact O-N 3.45Å
514V90.5Very high87.9Confident82 Ų8269.7 Ų69.750%0.49736%0.358SS..EExtended strand (participates in β ladder)trans-146.7139.5-179.6-170.70000109V516 T622V514-V516 HydrophobicContact CG1-CG2 4.44Å; V514-T622 CarbonylContact C-O 3.6Å; V514-T622 WeakPolarHBondContact CA-O 3.26Å
515Y91.2Very high88.3Confident14 Ų1471.6 Ų71.66%0.05537%0.372CS..EExtended strand (participates in β ladder)trans-118.8150.3170.1-62.5-105.2000110.1S511 R512 L530 T531 T532 T533 T621 T622 V623 S624S511-Y515 PolarHBondContact OG-OH 2.89Å; S511-Y515 VanDerWaalsContact OG-OH 3.08Å; R512-Y515 HydrophobicContact CB-CD2 4.3Å; R512-Y515 HydrophobicContact CB-CE1 4.24Å; R512-Y515 HydrophobicContact CB-CE2 3.78Å; R512-Y515 HydrophobicContact CG-CE1 4.27Å; Y515-L530 HydrophobicContact CD1-CD1 4.06Å; Y515-L530 HydrophobicContact CG-CD1 4.17Å; Y515-T531 WeakPolarHBondContact CE1-O 3.49Å; Y515-T532 HydrophobicContact CD1-CG2 4.46Å; Y515-T532 HydrophobicContact CD2-CG2 3.94Å; Y515-T532 HydrophobicContact CE1-CG2 4.43Å; Y515-T532 HydrophobicContact CE2-CG2 3.91Å; Y515-T532 HydrophobicContact CG-CG2 4.23Å; Y515-T533 PolarHBondContact OH-N 2.91Å; Y515-T621 HydrophobicContact CD2-CG2 4.26Å; Y515-T621 HydrophobicContact CE2-CG2 3.91Å; Y515-T622 PolarHBondContact N-O 3.43Å; Y515-V623 HydrophobicContact CD2-CG2 4.42Å; Y515-V623 WeakPolarHBondContact O-CA 3.42Å; Y515-S624 PolarHBondContact O-N 2.93Å
516V91.2Very high88.7Confident110 Ų11068.2 Ų68.267%0.66737%0.366SS*.EExtended strand (participates in β ladder)trans-140.4137.5179.8-173.40000109.1V514 S624V514-V516 HydrophobicContact CG1-CG2 4.44Å; V516-S624 WeakPolarHBondContact CA-O 3.33Å
517S90.5Very high89.2Confident39 Ų3968.8 Ų68.827%0.27337%0.37SS..EExtended strand (participates in β ladder)trans-153.2173.4172.3-162.80000111.2I529 S624 I625 E626S517-I529 PolarHBondContact OG-O 3.06Å; S517-S624 PolarHBondContact N-O 3.24Å; S517-S624 VanDerWaalsContact N-O 3.07Å; S517-I625 WeakPolarHBondContact O-CA 3.36Å; S517-E626 PolarHBondContact O-N 3.46Å; S517-E626 VanDerWaalsContact O-N 3.08Å
518G90.3Very high89.6Confident35 Ų3567.3 Ų67.336%0.36137%0.366SS..EExtended strand (participates in β ladder)trans-135.9144.4176.900000111.4E626G518-E626 CarbonylContact C-O 3.57Å; G518-E626 VanDerWaalsContact CA-O 3.27Å; G518-E626 WeakPolarHBondContact CA-O 3.49Å
519V91.7Very high89.7Confident2 Ų268.1 Ų68.11%0.01237%0.371CS..EExtended strand (participates in β ladder)trans-139.6129.6-168.3-171.20000110.3A523 I529 T589 L594 I625 E626 I627 L628V519-A523 HydrophobicContact CG1-CB 3.61Å; V519-I529 HydrophobicContact CG2-CB 4.23Å; V519-I529 HydrophobicContact CG2-CD1 3.96Å; V519-I529 HydrophobicContact CG2-CG1 3.74Å; V519-I529 HydrophobicContact CG2-CG2 3.54Å; V519-T589 HydrophobicContact CG1-CG2 4.11Å; V519-L594 HydrophobicContact CB-CD1 4.21Å; V519-L594 HydrophobicContact CG1-CD1 3.74Å; V519-I625 HydrophobicContact CB-CG2 4.46Å; V519-I625 HydrophobicContact CG2-CG2 3.77Å; V519-E626 PolarHBondContact N-O 3.2Å; V519-I627 CarbonylContact O-C 3.6Å; V519-I627 WeakPolarHBondContact O-CA 3.48Å; V519-L628 PolarHBondContact O-N 3.32Å
520P91.4Very high89.9Confident37 Ų3762.3 Ų62.324%0.2434%0.344CS..EExtended strand (participates in β ladder)trans-61.4146.9170.1-20.332.9000111.8A523 E630P520-A523 WeakPolarHBondContact O-CB 3.25Å; P520-A523 PolarHBondContact O-N 3.41Å; P520-A523 VanDerWaalsContact O-N 3.16Å; P520-E630 HydrophobicContact CB-CG 4.39Å
521E90.5Very high89.9Confident2 Ų264.3 Ų64.31%0.00936%0.359CS..THydrogen-bonded Turntrans-64.3-44.3-178.463-159.7122.300113.8A523 L594 R596 I627 L628 D629 E630E521-A523 PolarHBondContact O-N 3.42Å; E521-L594 HydrophobicContact CB-CB 4.46Å; E521-L594 CarbonylContact O-C 3.52Å; E521-L594 WeakPolarHBondContact O-CB 3.31Å; E521-L594 VanDerWaalsContact O-O 3.13Å; E521-R596 HydrophobicContact CB-CB 4.31Å; E521-R596 WeakPolarHBondContact OE2-CA 3.22Å; E521-R596 WeakPolarHBondContact OE2-CB 3.5Å; E521-R596 PolarHBondContact OE2-N 3.08Å; E521-I627 HydrophobicContact CB-CG2 4.01Å; E521-L628 PolarHBondContact N-O 3.26Å; E521-L628 VanDerWaalsContact N-O 3.17Å; E521-D629 VanDerWaalsContact OE1-CA 3.28Å; E521-D629 WeakPolarHBondContact OE1-CA 3.47Å; E521-E630 PolarHBondContact OE1-N 2.9Å
522N87.5Confident90.1Very high85 Ų8560.7 Ų60.746%0.45533%0.333SS..THydrogen-bonded Turntrans-77.321.9174.8-75.1-74.7000113.5D632N522-D632 PolarHBondContact ND2-OD2 3.36Å
523A87.7Confident90.2Very high9 Ų955.9 Ų55.97%0.07432%0.322CS..PPolyproline II helixtrans-58.8125174.500000111.2V519 P520 E521 M527 T589V519-A523 HydrophobicContact CG1-CB 3.61Å; P520-A523 WeakPolarHBondContact O-CB 3.25Å; P520-A523 PolarHBondContact O-N 3.41Å; P520-A523 VanDerWaalsContact O-N 3.16Å; E521-A523 PolarHBondContact O-N 3.42Å; A523-M527 HydrophobicContact CB-SD 3.71Å; A523-T589 HydrophobicContact CB-CG2 3.92Å
524P89.9Confident90.3Very high84 Ų8445.8 Ų45.855%0.54529%0.287SS..PPolyproline II helixtrans-66.1146.6-17326.7-35000111.6G526 M527 T589P524-G526 PolarHBondContact O-N 2.91Å; P524-M527 WeakPolarHBondContact O-CB 3.37Å; P524-M527 PolarHBondContact O-N 3.26Å; P524-M527 VanDerWaalsContact O-N 3.15Å; P524-T589 PolarHBondContact O-OG1 3.28Å
525P88Confident90.1Very high67 Ų6748 Ų4844%0.43530%0.296SS..THydrogen-bonded Turntrans-51.2128.7175.6-32.538.2000113.6S590P525-S590 VanDerWaalsContact CA-O 3.29Å; P525-S590 WeakPolarHBondContact CA-O 3.17Å; P525-S590 WeakPolarHBondContact CB-O 3.36Å; P525-S590 WeakPolarHBondContact CG-O 3.44Å
526G87.7Confident89.9Confident38 Ų3848.2 Ų48.239%0.39230%0.298SS..THydrogen-bonded Turntrans88.18.7-177.700000115.5P524 D528 R588 T589P524-G526 PolarHBondContact O-N 2.91Å; G526-D528 PolarHBondContact O-N 3.26Å; G526-R588 WeakPolarHBondContact O-CD 3.27Å; G526-T589 PolarHBondContact N-O 2.85Å; G526-T589 PolarHBondContact N-OG1 3.5Å
527M91.3Very high89.4Confident75 Ų7551.5 Ų51.537%0.36930%0.298SS..  trans-65.3125.3171.4177171.1171.900110.6A523 P524 I529 R588 T589A523-M527 HydrophobicContact CB-SD 3.71Å; P524-M527 WeakPolarHBondContact O-CB 3.37Å; P524-M527 PolarHBondContact O-N 3.26Å; P524-M527 VanDerWaalsContact O-N 3.15Å; M527-I529 PolarHBondContact O-N 2.77Å; M527-R588 WeakPolarHBondContact O-CA 3.13Å; M527-T589 HydrophobicContact CB-CG2 4.29Å; M527-T589 PolarHBondContact N-OG1 3.31Å; M527-T589 PolarHBondContact O-N 3.05Å; M527-T589 VanDerWaalsContact O-N 3.11Å
528D91.2Very high89Confident92 Ų9249.9 Ų49.949%0.49229%0.287SS..EExtended strand (participates in β ladder)trans-67.5124.4174.8-65.6-28.4000110.7G526 I586 R588G526-D528 PolarHBondContact O-N 3.26Å; D528-I586 HydrophobicContact CB-CG2 4.24Å; D528-I586 WeakPolarHBondContact OD1-CG2 3.33Å; D528-R588 WeakPolarHBondContact OD1-CG 3.47Å; D528-R588 IonicContact OD1-CZ 3.17Å; D528-R588 VanDerWaalsContact OD1-CZ 3.25Å; D528-R588 IonicContact OD1-NE 2.69Å; D528-R588 PolarHBondContact OD1-NE 2.85Å; D528-R588 IonicContact OD1-NH2 3.76Å; D528-R588 PolarHBondContact OD1-NH2 3.18Å
529I91.9Very high88.1Confident18 Ų1856.5 Ų56.59%0.09230%0.301CS..EExtended strand (participates in β ladder)trans-101-46.8-176.9-61.4166000111.4S517 V519 M527 F578 I587 T589 I625S517-I529 PolarHBondContact OG-O 3.06Å; V519-I529 HydrophobicContact CG2-CB 4.23Å; V519-I529 HydrophobicContact CG2-CD1 3.96Å; V519-I529 HydrophobicContact CG2-CG1 3.74Å; V519-I529 HydrophobicContact CG2-CG2 3.54Å; M527-I529 PolarHBondContact O-N 2.77Å; I529-F578 HydrophobicContact CD1-CD1 3.48Å; I529-F578 VanDerWaalsContact CD1-CD1 3.48Å; I529-F578 HydrophobicContact CD1-CE1 3.55Å; I529-I587 WeakPolarHBondContact CB-O 3.43Å; I529-I587 HydrophobicContact CD1-CG2 4.35Å; I529-I587 PolarHBondContact N-O 3.12Å; I529-T589 HydrophobicContact CD1-CG2 3.97Å; I529-T589 HydrophobicContact CG1-CG2 4.4Å; I529-I625 HydrophobicContact CG2-CD1 4.34Å
530L92.5Very high86.9Confident27 Ų2759.3 Ų59.314%0.14132%0.324CS..EExtended strand (participates in β ladder)trans-167.9165.7173.56396.2000110.8Y515 T532 I587 V623Y515-L530 HydrophobicContact CD1-CD1 4.06Å; Y515-L530 HydrophobicContact CG-CD1 4.17Å; L530-T532 HydrophobicContact CD1-CG2 3.8Å; L530-I587 HydrophobicContact CD1-CD1 4.05Å; L530-I587 PolarHBondContact O-N 2.94Å; L530-V623 HydrophobicContact CD1-CG1 4.19Å; L530-V623 HydrophobicContact CD2-CG1 3.65Å; L530-V623 HydrophobicContact CG-CG1 4.42Å
531T92.5Very high85.9Confident68 Ų6858.7 Ų58.742%0.41732%0.322SS..EExtended strand (participates in β ladder)trans-112.5123.1173.3-41.80000110.2Y515 T533 T584 I586Y515-T531 WeakPolarHBondContact CE1-O 3.49Å; T531-T533 HydrophobicContact CG2-CG2 3.87Å; T531-T584 WeakPolarHBondContact CG2-O 3.2Å; T531-I586 HydrophobicContact CG2-CG1 3.74Å
532T89.9Confident85.5Confident0 Ų063.5 Ų63.50%035%0.351CS..  trans-86.5135.3163.163.40000109.1Y515 L530 G585 I587 V606 T621 V623Y515-T532 HydrophobicContact CD1-CG2 4.46Å; Y515-T532 HydrophobicContact CD2-CG2 3.94Å; Y515-T532 HydrophobicContact CE1-CG2 4.43Å; Y515-T532 HydrophobicContact CE2-CG2 3.91Å; Y515-T532 HydrophobicContact CG-CG2 4.23Å; L530-T532 HydrophobicContact CD1-CG2 3.8Å; T532-G585 PolarHBondContact N-O 2.72Å; T532-G585 WeakPolarHBondContact O-CA 3.21Å; T532-G585 PolarHBondContact OG1-O 3.2Å; T532-G585 VanDerWaalsContact OG1-O 3.05Å; T532-I587 HydrophobicContact CG2-CD1 4.2Å; T532-V606 HydrophobicContact CG2-CG2 4.25Å; T532-T621 HydrophobicContact CG2-CG2 4.44Å; T532-V623 HydrophobicContact CG2-CG2 3.9Å
533T89.8Confident85.5Confident60 Ų6061 Ų6137%0.36834%0.338SS..  trans-131.2135.7-179.5570000111.8F510 S511 Y515 T531F510-T533 WeakPolarHBondContact CA-O 3.31Å; F510-T533 WeakPolarHBondContact CD1-O 3.4Å; S511-T533 PolarHBondContact N-O 3.16Å; S511-T533 PolarHBondContact OG-O 3.21Å; S511-T533 PolarHBondContact OG-OG1 3.12Å; Y515-T533 PolarHBondContact OH-N 2.91Å; T531-T533 HydrophobicContact CG2-CG2 3.87Å
534A88.9Confident85.7Confident17 Ų1762.3 Ų62.314%0.1435%0.347CS..EExtended strand (participates in β ladder)trans-122.5165.8168.700000110.6E509 F510 L543 Y545 V608E509-A534 CarbonylContact O-C 3.47Å; E509-A534 WeakPolarHBondContact O-CA 3.24Å; E509-A534 WeakPolarHBondContact O-CB 3.32Å; F510-A534 HydrophobicContact CD1-CB 3.97Å; F510-A534 HydrophobicContact CE1-CB 4.25Å; F510-A534 HydrophobicContact CG-CB 4.25Å; A534-L543 HydrophobicContact CB-CD1 4.35Å; A534-L543 WeakPolarHBondContact O-CD1 3.44Å; A534-Y545 HydrophobicContact CB-CE1 4.2Å; A534-Y545 PolarHBondContact N-OH 3.21Å; A534-V608 HydrophobicContact CB-CG1 4.06Å; A534-V608 HydrophobicContact CB-CG2 4.42Å
535L85.8Confident85.8Confident128 Ų12858.9 Ų58.967%0.6732%0.323SS*.EExtended strand (participates in β ladder)trans-130.6143.6173.9177.764.8000108.8P508 E509P508-L535 WeakPolarHBondContact CA-O 2.98Å; E509-L535 PolarHBondContact N-O 3.08Å; E509-L535 PolarHBondContact O-N 2.76Å
536D86.9Confident85.9Confident19 Ų1959.7 Ų59.710%0.10232%0.32CS..  trans-120173.6161.9-131.9-40.1000111.1Q507 P508 A541 L543Q507-D536 VanDerWaalsContact C-OD1 3.25Å; Q507-D536 PolarHBondContact N-OD1 3.09Å; Q507-D536 VanDerWaalsContact N-OD1 3.09Å; P508-D536 VanDerWaalsContact CA-OD2 3.27Å; P508-D536 WeakPolarHBondContact CA-OD2 3.17Å; P508-D536 WeakPolarHBondContact CB-OD2 3.37Å; P508-D536 WeakPolarHBondContact CD-OD2 3.05Å; D536-A541 HydrophobicContact CB-CB 3.62Å; D536-L543 HydrophobicContact CB-CD2 4.23Å
537R82.4Confident86.1Confident179 Ų17959.8 Ų59.868%0.67531%0.309SS*.SBendtrans-105.6-36-179-64.5-176.2-176.7-175.93.8113.8F506 R539F506-R537 HydrophobicContact CB-CB 3.87Å; F506-R537 HydrophobicContact CB-CG 4.42Å; F506-R537 HydrophobicContact CD1-CB 4.4Å; F506-R537 HydrophobicContact CD2-CB 3.54Å; F506-R537 HydrophobicContact CE2-CB 4.21Å; F506-R537 HydrophobicContact CG-CB 3.66Å; F506-R537 HydrophobicContact CG-CG 4.29Å; R537-R539 PolarHBondContact O-N 3.28Å
538D80.4Confident85.6Confident6 Ų657.2 Ų57.23%0.03230%0.3CS..SBendtrans-59.8127.8174.3-39.6-92.1000108.6N504 E505 F506 A540 A541N504-D538 VanDerWaalsContact CA-OD1 3.31Å; N504-D538 WeakPolarHBondContact CA-OD1 2.91Å; E505-D538 PolarHBondContact N-OD1 2.89Å; F506-D538 WeakPolarHBondContact CA-OD2 2.92Å; F506-D538 VanDerWaalsContact CB-OD2 3.27Å; F506-D538 WeakPolarHBondContact CB-OD2 3.43Å; F506-D538 WeakPolarHBondContact CD2-OD1 3.26Å; F506-D538 PolarHBondContact N-OD1 3.45Å; F506-D538 VanDerWaalsContact N-OD1 3.09Å; F506-D538 PolarHBondContact N-OD2 2.72Å; F506-D538 VanDerWaalsContact N-OD2 3.16Å; D538-A540 PolarHBondContact O-N 3.38Å; D538-A541 HydrophobicContact CB-CB 4.29Å; D538-A541 VanDerWaalsContact O-CB 3.26Å; D538-A541 WeakPolarHBondContact O-CB 3.29Å; D538-A541 PolarHBondContact O-N 2.95Å; D538-A541 VanDerWaalsContact O-N 3.08Å
539R71.4Confident84.3Confident174 Ų17456.6 Ų56.666%0.65730%0.301SS*.THydrogen-bonded Turntrans-74-18.1-171.4-161.2168.5159.1-123.27.9112.3Y469 D502 R537Y469-R539 HydrophobicContact CE1-CB 3.56Å; Y469-R539 HydrophobicContact CE1-CG 4.47Å; Y469-R539 PolarHBondContact OH-NH1 2.88Å; D502-R539 WeakPolarHBondContact OD2-CA 3.27Å; D502-R539 WeakPolarHBondContact OD2-CB 3.26Å; D502-R539 PolarHBondContact OD2-N 2.84Å; D502-R539 VanDerWaalsContact OD2-N 3.12Å; R537-R539 PolarHBondContact O-N 3.28Å
540A66.9Low82.5Confident60 Ų6058.2 Ų58.250%0.49631%0.314SS..THydrogen-bonded Turntrans-87.3-4.1172.100000114D502 D538 V542D502-A540 HydrophobicContact CB-CB 4.11Å; D502-A540 VanDerWaalsContact OD2-CB 3.26Å; D502-A540 WeakPolarHBondContact OD2-CB 3.45Å; D502-A540 PolarHBondContact OD2-N 3.33Å; D538-A540 PolarHBondContact O-N 3.38Å; A540-V542 WeakPolarHBondContact O-CG2 3.29Å; A540-V542 PolarHBondContact O-N 2.93Å
541A71.8Confident80.1Confident25 Ų2561.7 Ų61.721%0.20734%0.341CS..  trans-61.9118.8178.700000111.7D536 D538 D610D536-A541 HydrophobicContact CB-CB 3.62Å; D538-A541 HydrophobicContact CB-CB 4.29Å; D538-A541 VanDerWaalsContact O-CB 3.26Å; D538-A541 WeakPolarHBondContact O-CB 3.29Å; D538-A541 PolarHBondContact O-N 2.95Å; D538-A541 VanDerWaalsContact O-N 3.08Å; A541-D610 CarbonylContact C-O 3.57Å
542V81.1Confident77.3Confident102 Ų10263.2 Ų63.262%0.61835%0.35SS*.  trans-104.980178.1-173.80000109.2A540 S544 D610A540-V542 WeakPolarHBondContact O-CG2 3.29Å; A540-V542 PolarHBondContact O-N 2.93Å; V542-S544 PolarHBondContact O-N 2.89Å; V542-S544 VanDerWaalsContact O-N 3.09Å; V542-D610 CarbonylContact C-O 3.56Å; V542-D610 VanDerWaalsContact C-O 3.28Å; V542-D610 WeakPolarHBondContact CA-O 3.42Å; V542-D610 PolarHBondContact N-O 3.49Å
543L88.5Confident74.6Confident34 Ų3471.2 Ų71.218%0.17839%0.392CS..  trans-50.6115178.7-64.7179.3000112.1P508 A534 D536 Y545 V608 T609P508-L543 HydrophobicContact CB-CD2 3.64Å; A534-L543 HydrophobicContact CB-CD1 4.35Å; A534-L543 WeakPolarHBondContact O-CD1 3.44Å; D536-L543 HydrophobicContact CB-CD2 4.23Å; L543-Y545 HydrophobicContact CB-CE2 4.02Å; L543-V608 HydrophobicContact CB-CG2 4.09Å; L543-V608 HydrophobicContact CD2-CG2 3.98Å; L543-T609 CarbonylContact C-O 3.56Å; L543-T609 WeakPolarHBondContact CA-O 3.48Å
544S90.4Very high71.5Confident36 Ų3673.2 Ų73.225%0.25241%0.408SS..EExtended strand (participates in β ladder)trans-116.3106.6-178.7-168.60000110.7V542 S582 V608 T609V542-S544 PolarHBondContact O-N 2.89Å; V542-S544 VanDerWaalsContact O-N 3.09Å; S544-S582 CarbonylContact C-O 3.57Å; S544-S582 WeakPolarHBondContact CA-O 3.3Å; S544-V608 WeakPolarHBondContact O-CA 3.33Å; S544-T609 PolarHBondContact N-O 3.21Å; S544-T609 PolarHBondContact O-N 3.4Å
545Y93.2Very high68.8Low12 Ų1282.7 Ų82.75%0.04745%0.446CS..EExtended strand (participates in β ladder)trans-87.6137-178.9-57.3-97000111.1F510 A534 L543 S582 V606 V608F510-Y545 HydrophobicContact CE1-CD1 4.1Å; F510-Y545 AromaticContact CE1-CE1 3.84Å; F510-Y545 HydrophobicContact CE1-CE1 3.84Å; F510-Y545 HydrophobicContact CZ-CD1 4.32Å; F510-Y545 HydrophobicContact CZ-CE1 4.37Å; A534-Y545 HydrophobicContact CB-CE1 4.2Å; A534-Y545 PolarHBondContact N-OH 3.21Å; L543-Y545 HydrophobicContact CB-CE2 4.02Å; Y545-S582 WeakPolarHBondContact CD2-O 3.29Å; Y545-S582 PolarHBondContact N-O 2.83Å; Y545-S582 VanDerWaalsContact O-CA 3.31Å; Y545-S582 WeakPolarHBondContact O-CA 3.44Å; Y545-S582 WeakPolarHBondContact O-CB 3.28Å; Y545-V606 HydrophobicContact CD1-CG1 4.41Å; Y545-V608 HydrophobicContact CD1-CB 4.03Å; Y545-V608 HydrophobicContact CD1-CG2 3.86Å; Y545-V608 HydrophobicContact CD2-CG2 4.42Å; Y545-V608 HydrophobicContact CE1-CB 4.2Å; Y545-V608 HydrophobicContact CE1-CG2 3.82Å; Y545-V608 HydrophobicContact CE2-CG2 4.38Å; Y545-V608 HydrophobicContact CG-CG2 4.17Å
546K90.1Very high66.2Low84 Ų8481.5 Ų81.537%0.36545%0.449SS..EExtended strand (participates in β ladder)trans-151.7158.2176.160.5-153.3172.7-1500110.9L607 T609K546-L607 HydrophobicContact CD-CD2 4.44Å; K546-L607 VanDerWaalsContact CE-CD2 3.48Å; K546-L607 HydrophobicContact CG-CB 4.18Å; K546-L607 HydrophobicContact CG-CD2 4.22Å; K546-L607 HydrophobicContact CG-CG 4.23Å; K546-L607 PolarHBondContact N-O 2.84Å; K546-L607 PolarHBondContact O-N 3.09Å; K546-L607 VanDerWaalsContact O-O 3.1Å; K546-T609 PolarHBondContact NZ-OG1 3Å
547F90.4Very high63.5Low39 Ų3990 Ų9017%0.17149%0.488CS..EExtended strand (participates in β ladder)trans-71.5141.1165.3-61.6-54.4000109.8F578 I580 I587 L604 V605 V606F547-F578 HydrophobicContact CE2-CB 4.2Å; F547-F578 HydrophobicContact CZ-CB 4.07Å; F547-I580 HydrophobicContact CD1-CG2 4.34Å; F547-I580 HydrophobicContact CD2-CG2 3.96Å; F547-I580 HydrophobicContact CE1-CB 4.1Å; F547-I580 HydrophobicContact CE1-CG2 4.26Å; F547-I580 HydrophobicContact CE2-CB 4.01Å; F547-I580 HydrophobicContact CE2-CG2 3.89Å; F547-I580 HydrophobicContact CG-CG2 4.19Å; F547-I580 HydrophobicContact CZ-CB 3.75Å; F547-I580 HydrophobicContact CZ-CG2 4.03Å; F547-I587 HydrophobicContact CE1-CD1 4.1Å; F547-I587 HydrophobicContact CE1-CG1 4.35Å; F547-I587 HydrophobicContact CZ-CD1 4.5Å; F547-I587 HydrophobicContact CZ-CG1 4.35Å; F547-I587 HydrophobicContact CZ-CG2 4.25Å; F547-L604 HydrophobicContact CD1-CB 4.2Å; F547-L604 HydrophobicContact CE1-CB 4.04Å; F547-L604 HydrophobicContact CE1-CD1 3.7Å; F547-L604 HydrophobicContact CE1-CG 4.37Å; F547-L604 HydrophobicContact CZ-CD1 3.84Å; F547-V605 CarbonylContact C-O 3.58Å; F547-V605 WeakPolarHBondContact CA-O 3.36Å; F547-V606 HydrophobicContact CD1-CG2 4.02Å; F547-V606 HydrophobicContact CE1-CG2 3.99Å
548A80.9Confident61Low22 Ų2285 Ų8518%0.18249%0.493CS..PPolyproline II helixtrans-71.7139.7176.100000110.3V605 L607A548-V605 HydrophobicContact CB-CB 4.09Å; A548-V605 HydrophobicContact CB-CG1 3.86Å; A548-V605 PolarHBondContact N-O 2.73Å; A548-L607 HydrophobicContact CB-CB 4.31Å
549P64.6Low58.7Low78 Ų7894.4 Ų94.451%0.50654%0.537SS..PPolyproline II helixtrans-68.2137179.426.4-31.9000111.6S551 T552P549-S551 PolarHBondContact O-N 2.81Å; P549-T552 PolarHBondContact O-N 2.89Å; P549-T552 PolarHBondContact O-OG1 3.48Å
550S53.9Low56.7Low52 Ų5295.7 Ų95.736%0.36455%0.547SS..THydrogen-bonded Turntrans-59.4-17.7-171.8-34.20000114.5T552 D572S550-T552 VanDerWaalsContact C-N 3.3Å; S550-T552 PolarHBondContact O-N 3.3Å; S550-D572 WeakPolarHBondContact CB-OD1 3.23Å; S550-D572 PolarHBondContact OG-OD1 3.09Å
551S42.5Very low55.2Low101 Ų101100.7 Ų100.771%0.70657%0.565SS**THydrogen-bonded Turntrans-80.52.1179.950.40000115.2P549 L553P549-S551 PolarHBondContact O-N 2.81Å; S551-L553 VanDerWaalsContact C-N 3.33Å; S551-L553 PolarHBondContact O-N 2.88Å
552T33.3Very low53.3Low99 Ų99104.2 Ų104.261%0.60759%0.588SS**  trans-89.214.4-173.2-310000114.5P549 S550P549-T552 PolarHBondContact O-N 2.89Å; P549-T552 PolarHBondContact O-OG1 3.48Å; S550-T552 VanDerWaalsContact C-N 3.3Å; S550-T552 PolarHBondContact O-N 3.3Å
553L33.7Very low51.2Low169 Ų169108.6 Ų108.689%0.88560%0.602SS**  trans-117.481.1172-72.4177.3000111S551S551-L553 VanDerWaalsContact C-N 3.33Å; S551-L553 PolarHBondContact O-N 2.88Å
554S25.1Very low48.5Very low101 Ų101117.3 Ų117.371%0.70664%0.638SS**  trans-119.793.4174.248.80000111.7
555F32.5Very low45.6Very low216 Ų216120.8 Ų120.895%0.94766%0.662SS**  trans-125.7152.2161.3-84.9-81.4000110.3
556S30.5Very low42.7Very low103 Ų103128.1 Ų128.172%0.7270%0.703SS**  trans-84.9144.9-14851.80000116.9
557E29.7Very low39.7Very low197 Ų197129.7 Ų129.792%0.92172%0.724SS**  trans31.5112.9145-59.1-169.3116.200119.3
558G29.3Very low36.9Very low76 Ų76134.8 Ų134.878%0.78475%0.751SS**  trans-149.863.7179.200000115
559E33.9Very low34.4Very low203 Ų203142.1 Ų142.195%0.94978%0.782SS**  trans68.7162.8167.2-158.4146.6-146.900117.4
560K29.2Very low33Very low201 Ų201143.9 Ų143.987%0.87479%0.786SS**  trans-124.4135.3-174.3-64.6169.2-178.7167.20109.6
561D35.7Very low32.5Very low165 Ų165147.8 Ų147.888%0.88280%0.803SS**  trans-143150.2144-142.8-22.2000110.9
562S30Very low32.8Very low99 Ų99148.3 Ų148.369%0.69280%0.798SS**  trans-117.7111.1-156.964.90000114.4
563H39Very low33.9Very low193 Ų193148.5 Ų148.589%0.89479%0.792SS**  trans-127.8137.7158.9-88.5-83.6000111.1
564K30Very low35.3Very low217 Ų217141.9 Ų141.994%0.94376%0.758SS**  trans-85.9122.6179.8-70.4-179.7173.9-176.60110.8
565S31.2Very low37.5Very low109 Ų109139 Ų13976%0.76274%0.735SS**  trans-146.7150.5155.347.90000107.6S567S565-S567 PolarHBondContact O-N 2.89Å
566D32Very low39.8Very low167 Ų167133.5 Ų133.589%0.89371%0.711SS**  trans-62.8132.4-160.7-61-77.9000114.5
567S27.2Very low42.4Very low117 Ų117130 Ų13082%0.81868%0.683SS**  trans-99.1110.9-178.7580000111S565S565-S567 PolarHBondContact O-N 2.89Å
568I30.1Very low45.4Very low145 Ų145120.9 Ų120.974%0.74464%0.64SS**  trans-128.1140.4167.1-58.6-177.5000108.9I570I568-I570 PolarHBondContact O-N 3.35Å
569Q29.9Very low48.3Very low176 Ų176121.6 Ų121.682%0.82263%0.625SS**  trans-58.6124.1-173.7-61.6155-35.400111.9
570I35.3Very low51.1Low116 Ų116112.9 Ų112.960%0.59559%0.585SS**  trans-119-42.6-179.1-74.6167.3000112.9I568 D572 E573 V574I568-I570 PolarHBondContact O-N 3.35Å; I570-D572 VanDerWaalsContact C-N 3.28Å; I570-D572 PolarHBondContact O-N 3.48Å; I570-D572 VanDerWaalsContact O-N 3.11Å; I570-E573 WeakPolarHBondContact O-CB 3.41Å; I570-E573 PolarHBondContact O-N 2.94Å; I570-V574 HydrophobicContact CG2-CG2 4.27Å
571D42.7Very low54Low133 Ų133106.4 Ų106.471%0.71156%0.558SS**THydrogen-bonded Turntrans-68.1-16.6-166.6-62.4-34.5000116
572D48.1Very low56.5Low113 Ų113101.5 Ų101.560%0.60454%0.536SS*.THydrogen-bonded Turntrans-95.2-6.4172.7-91-26.2000113.8S550 I570 K576S550-D572 WeakPolarHBondContact CB-OD1 3.23Å; S550-D572 PolarHBondContact OG-OD1 3.09Å; I570-D572 VanDerWaalsContact C-N 3.28Å; I570-D572 PolarHBondContact O-N 3.48Å; I570-D572 VanDerWaalsContact O-N 3.11Å; D572-K576 VanDerWaalsContact O-CE 3.25Å; D572-K576 WeakPolarHBondContact O-CE 3.16Å
573E57.8Low59.2Low102 Ų102104.5 Ų104.548%0.47754%0.539SS..THydrogen-bonded Turntrans-86.5-37.9177.9-65.3-105.295.500111.7I570 N575 K576 H577I570-E573 WeakPolarHBondContact O-CB 3.41Å; I570-E573 PolarHBondContact O-N 2.94Å; E573-N575 PolarHBondContact O-N 2.94Å; E573-K576 VanDerWaalsContact O-CB 3.23Å; E573-K576 WeakPolarHBondContact O-CB 3.27Å; E573-K576 VanDerWaalsContact O-CG 3.29Å; E573-K576 WeakPolarHBondContact O-CG 3.47Å; E573-K576 PolarHBondContact O-N 3.32Å; E573-K576 IonicContact OE1-NZ 3.33Å; E573-K576 PolarHBondContact OE1-NZ 3.05Å; E573-H577 PolarHBondContact O-ND1 2.92Å
574V63Low61.5Low31 Ų3197.9 Ų97.919%0.18851%0.512CS..G310 helixtrans-63.7-41.3-168.5-160.20000112.2I570 K576 H577 V602I570-V574 HydrophobicContact CG2-CG2 4.27Å; V574-K576 PolarHBondContact O-N 3.07Å; V574-K576 VanDerWaalsContact O-N 3.09Å; V574-H577 PolarHBondContact O-N 2.86Å; V574-H577 PolarHBondContact O-ND1 3.03Å; V574-V602 HydrophobicContact CG1-CB 4.02Å; V574-V602 HydrophobicContact CG1-CG1 3.48Å; V574-V602 VanDerWaalsContact CG1-CG1 3.48Å; V574-V602 HydrophobicContact CG1-CG2 3.41Å; V574-V602 VanDerWaalsContact CG1-CG2 3.41Å
575N70.3Confident64.4Low39 Ų3987.6 Ų87.621%0.20947%0.468CS..G310 helixtrans-57.5-23.3176-73.4-38.4000113.7E573 H577 F578 L604E573-N575 PolarHBondContact O-N 2.94Å; N575-H577 VanDerWaalsContact C-N 3.27Å; N575-H577 PolarHBondContact O-N 3.4Å; N575-F578 PolarHBondContact O-N 2.97Å; N575-L604 VanDerWaalsContact OD1-CD2 3.27Å; N575-L604 WeakPolarHBondContact OD1-CD2 3.38Å
576K80.4Confident67.3Low102 Ų10283.7 Ų83.744%0.44344%0.438SS..G310 helixtrans-69.3-23.6-176.3-56176-177.7175.50113.2D572 E573 V574 F578 S590 I592D572-K576 VanDerWaalsContact O-CE 3.25Å; D572-K576 WeakPolarHBondContact O-CE 3.16Å; E573-K576 VanDerWaalsContact O-CB 3.23Å; E573-K576 WeakPolarHBondContact O-CB 3.27Å; E573-K576 VanDerWaalsContact O-CG 3.29Å; E573-K576 WeakPolarHBondContact O-CG 3.47Å; E573-K576 PolarHBondContact O-N 3.32Å; E573-K576 IonicContact OE1-NZ 3.33Å; E573-K576 PolarHBondContact OE1-NZ 3.05Å; V574-K576 PolarHBondContact O-N 3.07Å; V574-K576 VanDerWaalsContact O-N 3.09Å; K576-F578 PolarHBondContact O-N 2.92Å; K576-S590 WeakPolarHBondContact O-CB 3.29Å; K576-S590 PolarHBondContact O-OG 2.96Å; K576-I592 HydrophobicContact CB-CD1 3.69Å
577H86Confident70.2Confident28 Ų2875.8 Ų75.813%0.1340%0.396CS..G310 helixtrans-74-12.4-178.3-56.184.7000113.3E573 V574 N575 S590 L594 I599E573-H577 PolarHBondContact O-ND1 2.92Å; V574-H577 PolarHBondContact O-N 2.86Å; V574-H577 PolarHBondContact O-ND1 3.03Å; N575-H577 VanDerWaalsContact C-N 3.27Å; N575-H577 PolarHBondContact O-N 3.4Å; H577-S590 VanDerWaalsContact C-OG 3.28Å; H577-S590 WeakPolarHBondContact CA-OG 3.31Å; H577-S590 WeakPolarHBondContact O-CB 3.4Å; H577-S590 PolarHBondContact O-N 2.62Å; H577-S590 PolarHBondContact O-OG 2.7Å; H577-S590 VanDerWaalsContact O-OG 3.12Å; H577-L594 HydrophobicContact CB-CD2 3.7Å; H577-I599 VanDerWaalsContact CE1-CD1 3.44Å; H577-I599 WeakPolarHBondContact CE1-CD1 3.41Å
578F91.6Very high73.3Confident7 Ų773.2 Ų73.23%0.03137%0.368CS..EExtended strand (participates in β ladder)trans-126.5150.2-176.2-56.1-77.8000111.5I529 F547 N575 K576 I587 R588 L594 V602 L604 I625I529-F578 HydrophobicContact CD1-CD1 3.48Å; I529-F578 VanDerWaalsContact CD1-CD1 3.48Å; I529-F578 HydrophobicContact CD1-CE1 3.55Å; F547-F578 HydrophobicContact CE2-CB 4.2Å; F547-F578 HydrophobicContact CZ-CB 4.07Å; N575-F578 PolarHBondContact O-N 2.97Å; K576-F578 PolarHBondContact O-N 2.92Å; F578-I587 HydrophobicContact CB-CG2 4.25Å; F578-I587 HydrophobicContact CD1-CG2 4.41Å; F578-R588 CarbonylContact C-O 3.54Å; F578-R588 VanDerWaalsContact CA-O 3.31Å; F578-R588 WeakPolarHBondContact CA-O 3.44Å; F578-L594 HydrophobicContact CE1-CD1 4.18Å; F578-L594 HydrophobicContact CE1-CD2 4.19Å; F578-L594 HydrophobicContact CE2-CD2 4.26Å; F578-L594 HydrophobicContact CZ-CD1 4.33Å; F578-L594 HydrophobicContact CZ-CD2 3.68Å; F578-V602 HydrophobicContact CD2-CG1 4.37Å; F578-V602 HydrophobicContact CE2-CB 4.05Å; F578-V602 HydrophobicContact CE2-CG1 3.82Å; F578-V602 HydrophobicContact CE2-CG2 3.98Å; F578-V602 HydrophobicContact CZ-CG2 4.42Å; F578-L604 HydrophobicContact CB-CD1 4.05Å; F578-L604 HydrophobicContact CD2-CD1 3.91Å; F578-L604 HydrophobicContact CD2-CD2 4.11Å; F578-L604 HydrophobicContact CG-CD1 3.94Å; F578-I625 HydrophobicContact CD1-CD1 3.91Å; F578-I625 HydrophobicContact CE1-CD1 3.64Å; F578-I625 HydrophobicContact CE1-CG2 4.26Å; F578-I625 HydrophobicContact CE2-CD1 4.37Å; F578-I625 HydrophobicContact CG-CD1 4.37Å; F578-I625 HydrophobicContact CZ-CD1 3.89Å; F578-I625 HydrophobicContact CZ-CG2 4.16Å
579I91Very high76.3Confident90 Ų9066.5 Ų66.546%0.46233%0.334SS..EExtended strand (participates in β ladder)trans-126.5129.6174.4-59.3175.2000107.6I587 R588I579-I587 WeakPolarHBondContact O-CA 3.33Å; I579-R588 PolarHBondContact N-O 2.89Å; I579-R588 PolarHBondContact O-N 3.31Å
580I92.6Very high79Confident20 Ų2058.4 Ų58.410%0.10330%0.296CS..EExtended strand (participates in β ladder)trans-99.1127.4169.1-170.2166.6000110.2F547 S582 I586 I587 V606F547-I580 HydrophobicContact CD1-CG2 4.34Å; F547-I580 HydrophobicContact CD2-CG2 3.96Å; F547-I580 HydrophobicContact CE1-CB 4.1Å; F547-I580 HydrophobicContact CE1-CG2 4.26Å; F547-I580 HydrophobicContact CE2-CB 4.01Å; F547-I580 HydrophobicContact CE2-CG2 3.89Å; F547-I580 HydrophobicContact CG-CG2 4.19Å; F547-I580 HydrophobicContact CZ-CB 3.75Å; F547-I580 HydrophobicContact CZ-CG2 4.03Å; I580-S582 PolarHBondContact O-N 2.81Å; I580-I586 WeakPolarHBondContact CA-O 3.32Å; I580-I587 HydrophobicContact CB-CG1 4.28Å; I580-I587 HydrophobicContact CD1-CG1 4.05Å; I580-I587 HydrophobicContact CG1-CG1 4.07Å; I580-V606 HydrophobicContact CD1-CB 4.39Å; I580-V606 HydrophobicContact CD1-CG1 3.51Å; I580-V606 HydrophobicContact CD1-CG2 3.9Å
581E89.3Confident81.4Confident66 Ų6660.1 Ų60.131%0.30830%0.302SS..  trans-76.9110.5176.8-179170.6-105.700109.4Q583 T584 G585 I586 R588E581-Q583 PolarHBondContact O-N 2.87Å; E581-T584 WeakPolarHBondContact CB-OG1 3.36Å; E581-T584 HydrophobicContact CG-CG2 4.24Å; E581-T584 VanDerWaalsContact CG-OG1 3.28Å; E581-T584 WeakPolarHBondContact CG-OG1 3.28Å; E581-T584 PolarHBondContact O-N 3.48Å; E581-T584 VanDerWaalsContact O-N 3.12Å; E581-T584 WeakPolarHBondContact OE2-CB 3.36Å; E581-T584 VanDerWaalsContact OE2-CG2 3.27Å; E581-T584 WeakPolarHBondContact OE2-CG2 3.42Å; E581-T584 PolarHBondContact OE2-OG1 2.91Å; E581-G585 PolarHBondContact O-N 2.9Å; E581-I586 HydrophobicContact CB-CB 4.41Å; E581-I586 PolarHBondContact N-O 3.4Å; E581-R588 VanDerWaalsContact CD-NH1 3.28Å; E581-R588 IonicContact OE1-CZ 2.94Å; E581-R588 IonicContact OE1-NH1 2.64Å; E581-R588 PolarHBondContact OE1-NH1 2.78Å; E581-R588 IonicContact OE1-NH2 2.8Å; E581-R588 IonicContact OE2-NH1 2.65Å; E581-R588 IonicContact OE2-NH2 2.7Å
582S89.1Confident83.4Confident61 Ų6157.5 Ų57.543%0.42729%0.287SS..THydrogen-bonded Turntrans-66.1-14.9-161.558.20000115.7S544 Y545 I580S544-S582 CarbonylContact C-O 3.57Å; S544-S582 WeakPolarHBondContact CA-O 3.3Å; Y545-S582 WeakPolarHBondContact CD2-O 3.29Å; Y545-S582 PolarHBondContact N-O 2.83Å; Y545-S582 VanDerWaalsContact O-CA 3.31Å; Y545-S582 WeakPolarHBondContact O-CA 3.44Å; Y545-S582 WeakPolarHBondContact O-CB 3.28Å; I580-S582 PolarHBondContact O-N 2.81Å
583Q86.4Confident85.1Confident163 Ų16356.2 Ų56.276%0.76229%0.285SS*.THydrogen-bonded Turntrans-99.1-21.7178.1-65.4178.4-14.600113.5E581E581-Q583 PolarHBondContact O-N 2.87Å
584T88.4Confident86.6Confident54 Ų5451.7 Ų51.733%0.33126%0.264SS..THydrogen-bonded Turntrans-115.8-17.8-170.464.20000113.2T531 E581 I586T531-T584 WeakPolarHBondContact CG2-O 3.2Å; E581-T584 WeakPolarHBondContact CB-OG1 3.36Å; E581-T584 HydrophobicContact CG-CG2 4.24Å; E581-T584 VanDerWaalsContact CG-OG1 3.28Å; E581-T584 WeakPolarHBondContact CG-OG1 3.28Å; E581-T584 PolarHBondContact O-N 3.48Å; E581-T584 VanDerWaalsContact O-N 3.12Å; E581-T584 WeakPolarHBondContact OE2-CB 3.36Å; E581-T584 VanDerWaalsContact OE2-CG2 3.27Å; E581-T584 WeakPolarHBondContact OE2-CG2 3.42Å; E581-T584 PolarHBondContact OE2-OG1 2.91Å; T584-I586 PolarHBondContact O-N 2.91Å; T584-I586 WeakPolarHBondContact OG1-CG1 3.49Å; T584-I586 PolarHBondContact OG1-N 3.34Å
585G89.2Confident87.8Confident0 Ų052.5 Ų52.50%027%0.268CS..  trans68.314-173.700000113.7T532 E581T532-G585 PolarHBondContact N-O 2.72Å; T532-G585 WeakPolarHBondContact O-CA 3.21Å; T532-G585 PolarHBondContact OG1-O 3.2Å; T532-G585 VanDerWaalsContact OG1-O 3.05Å; E581-G585 PolarHBondContact O-N 2.9Å
586I93.4Very high88.8Confident28 Ų2852.9 Ų52.914%0.14427%0.266CS..EExtended strand (participates in β ladder)trans-72.6126.5173.5-61.3172.3000109.2D528 T531 I580 E581 T584 R588D528-I586 HydrophobicContact CB-CG2 4.24Å; D528-I586 WeakPolarHBondContact OD1-CG2 3.33Å; T531-I586 HydrophobicContact CG2-CG1 3.74Å; I580-I586 WeakPolarHBondContact CA-O 3.32Å; E581-I586 HydrophobicContact CB-CB 4.41Å; E581-I586 PolarHBondContact N-O 3.4Å; T584-I586 PolarHBondContact O-N 2.91Å; T584-I586 WeakPolarHBondContact OG1-CG1 3.49Å; T584-I586 PolarHBondContact OG1-N 3.34Å; I586-R588 HydrophobicContact CG2-CG 4.16Å
587I92.9Very high89.2Confident0 Ų051 Ų510%026%0.259CS..EExtended strand (participates in β ladder)trans-95.3127.2172.1-61.5174.4000108.5I529 L530 T532 F547 F578 I579 I580 L604 V606 V623I529-I587 WeakPolarHBondContact CB-O 3.43Å; I529-I587 HydrophobicContact CD1-CG2 4.35Å; I529-I587 PolarHBondContact N-O 3.12Å; L530-I587 HydrophobicContact CD1-CD1 4.05Å; L530-I587 PolarHBondContact O-N 2.94Å; T532-I587 HydrophobicContact CG2-CD1 4.2Å; F547-I587 HydrophobicContact CE1-CD1 4.1Å; F547-I587 HydrophobicContact CE1-CG1 4.35Å; F547-I587 HydrophobicContact CZ-CD1 4.5Å; F547-I587 HydrophobicContact CZ-CG1 4.35Å; F547-I587 HydrophobicContact CZ-CG2 4.25Å; F578-I587 HydrophobicContact CB-CG2 4.25Å; F578-I587 HydrophobicContact CD1-CG2 4.41Å; I579-I587 WeakPolarHBondContact O-CA 3.33Å; I580-I587 HydrophobicContact CB-CG1 4.28Å; I580-I587 HydrophobicContact CD1-CG1 4.05Å; I580-I587 HydrophobicContact CG1-CG1 4.07Å; I587-L604 HydrophobicContact CG2-CD1 4.44Å; I587-V606 HydrophobicContact CD1-CG2 4.04Å; I587-V623 HydrophobicContact CD1-CB 4.37Å; I587-V623 HydrophobicContact CD1-CG1 4.01Å; I587-V623 HydrophobicContact CD1-CG2 3.94Å
588R92.6Very high89.2Confident63 Ų6357.2 Ų57.224%0.23829%0.286CS..EExtended strand (participates in β ladder)trans-119.2158.6179-70.7-179.3172.4119.722.6111.9G526 M527 D528 F578 I579 E581 I586G526-R588 WeakPolarHBondContact O-CD 3.27Å; M527-R588 WeakPolarHBondContact O-CA 3.13Å; D528-R588 WeakPolarHBondContact OD1-CG 3.47Å; D528-R588 IonicContact OD1-CZ 3.17Å; D528-R588 VanDerWaalsContact OD1-CZ 3.25Å; D528-R588 IonicContact OD1-NE 2.69Å; D528-R588 PolarHBondContact OD1-NE 2.85Å; D528-R588 IonicContact OD1-NH2 3.76Å; D528-R588 PolarHBondContact OD1-NH2 3.18Å; F578-R588 CarbonylContact C-O 3.54Å; F578-R588 VanDerWaalsContact CA-O 3.31Å; F578-R588 WeakPolarHBondContact CA-O 3.44Å; I579-R588 PolarHBondContact N-O 2.89Å; I579-R588 PolarHBondContact O-N 3.31Å; E581-R588 VanDerWaalsContact CD-NH1 3.28Å; E581-R588 IonicContact OE1-CZ 2.94Å; E581-R588 IonicContact OE1-NH1 2.64Å; E581-R588 PolarHBondContact OE1-NH1 2.78Å; E581-R588 IonicContact OE1-NH2 2.8Å; E581-R588 IonicContact OE2-NH1 2.65Å; E581-R588 IonicContact OE2-NH2 2.7Å; I586-R588 HydrophobicContact CG2-CG 4.16Å
589T91.6Very high88.8Confident5 Ų558.6 Ų58.63%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-61.5143.4159.652.80000110.8V519 A523 P524 G526 M527 I529 L594V519-T589 HydrophobicContact CG1-CG2 4.11Å; A523-T589 HydrophobicContact CB-CG2 3.92Å; P524-T589 PolarHBondContact O-OG1 3.28Å; G526-T589 PolarHBondContact N-O 2.85Å; G526-T589 PolarHBondContact N-OG1 3.5Å; M527-T589 HydrophobicContact CB-CG2 4.29Å; M527-T589 PolarHBondContact N-OG1 3.31Å; M527-T589 PolarHBondContact O-N 3.05Å; M527-T589 VanDerWaalsContact O-N 3.11Å; I529-T589 HydrophobicContact CD1-CG2 3.97Å; I529-T589 HydrophobicContact CG1-CG2 4.4Å; T589-L594 HydrophobicContact CG2-CD1 4.13Å
590S87.9Confident88.4Confident5 Ų556.3 Ų56.34%0.03529%0.292CS..  trans-84.2-171.1178.380.90000112.9P525 K576 H577 I592P525-S590 VanDerWaalsContact CA-O 3.29Å; P525-S590 WeakPolarHBondContact CA-O 3.17Å; P525-S590 WeakPolarHBondContact CB-O 3.36Å; P525-S590 WeakPolarHBondContact CG-O 3.44Å; K576-S590 WeakPolarHBondContact O-CB 3.29Å; K576-S590 PolarHBondContact O-OG 2.96Å; H577-S590 VanDerWaalsContact C-OG 3.28Å; H577-S590 WeakPolarHBondContact CA-OG 3.31Å; H577-S590 WeakPolarHBondContact O-CB 3.4Å; H577-S590 PolarHBondContact O-N 2.62Å; H577-S590 PolarHBondContact O-OG 2.7Å; H577-S590 VanDerWaalsContact O-OG 3.12Å; S590-I592 VanDerWaalsContact C-N 3.3Å; S590-I592 WeakPolarHBondContact OG-CB 3.46Å; S590-I592 PolarHBondContact OG-N 3.19Å; S590-I592 PolarHBondContact OG-O 3.29Å
591Q84.9Confident88.1Confident153 Ų15359.5 Ų59.572%0.71532%0.315SS*.SBendtrans-79.1-11.3167.9-63-63.7-42.500113.4
592I84.6Confident88Confident77 Ų7756.6 Ų56.640%0.39530%0.302SS..SBendtrans-86.1121.9168.3-61.6163.6000106.3K576 S590K576-I592 HydrophobicContact CB-CD1 3.69Å; S590-I592 VanDerWaalsContact C-N 3.3Å; S590-I592 WeakPolarHBondContact OG-CB 3.46Å; S590-I592 PolarHBondContact OG-N 3.19Å; S590-I592 PolarHBondContact OG-O 3.29Å
593P84.4Confident87.9Confident87 Ų8758.5 Ų58.557%0.56531%0.312SS*.PPolyproline II helixtrans-64.9154.3-179.729-35.4000111
594L88.5Confident87.9Confident7 Ų750.8 Ų50.84%0.03728%0.275CS..PPolyproline II helixtrans-80.6158.2163.7-63.1167.7000108.6V519 E521 H577 F578 T589 I627V519-L594 HydrophobicContact CB-CD1 4.21Å; V519-L594 HydrophobicContact CG1-CD1 3.74Å; E521-L594 HydrophobicContact CB-CB 4.46Å; E521-L594 CarbonylContact O-C 3.52Å; E521-L594 WeakPolarHBondContact O-CB 3.31Å; E521-L594 VanDerWaalsContact O-O 3.13Å; H577-L594 HydrophobicContact CB-CD2 3.7Å; F578-L594 HydrophobicContact CE1-CD1 4.18Å; F578-L594 HydrophobicContact CE1-CD2 4.19Å; F578-L594 HydrophobicContact CE2-CD2 4.26Å; F578-L594 HydrophobicContact CZ-CD1 4.33Å; F578-L594 HydrophobicContact CZ-CD2 3.68Å; T589-L594 HydrophobicContact CG2-CD1 4.13Å; L594-I627 HydrophobicContact CB-CG2 4.48Å; L594-I627 HydrophobicContact CD2-CD1 3.92Å
595D89Confident88Confident48 Ų4851.2 Ų51.226%0.25728%0.278SS..  trans-161.7109.9-170.8-177.8-74.9000106.2K598 I599D595-K598 HydrophobicContact CB-CB 4.32Å; D595-K598 HydrophobicContact CB-CD 4.21Å; D595-K598 PolarHBondContact O-N 3.09Å; D595-K598 VanDerWaalsContact OD1-CB 3.27Å; D595-K598 WeakPolarHBondContact OD1-CB 3.43Å; D595-K598 WeakPolarHBondContact OD1-CD 3.35Å; D595-K598 WeakPolarHBondContact OD1-CG 3.28Å; D595-K598 PolarHBondContact OD1-N 2.98Å; D595-K598 IonicContact OD1-NZ 3.57Å; D595-K598 PolarHBondContact OD1-NZ 3.1Å; D595-K598 IonicContact OD2-NZ 3.22Å; D595-K598 PolarHBondContact OD2-NZ 2.76Å; D595-I599 PolarHBondContact O-N 2.86Å
596R91.2Very high88Confident46 Ų4651.2 Ų51.217%0.17428%0.278CS..THydrogen-bonded Turntrans-77.7-31.8-168.1-173.5-145.163.6106.10.7111.4E521 K598 I599 I627 D629E521-R596 HydrophobicContact CB-CB 4.31Å; E521-R596 WeakPolarHBondContact OE2-CA 3.22Å; E521-R596 WeakPolarHBondContact OE2-CB 3.5Å; E521-R596 PolarHBondContact OE2-N 3.08Å; R596-K598 PolarHBondContact O-N 2.88Å; R596-I599 WeakPolarHBondContact CA-O 3.45Å; R596-I599 CarbonylContact O-C 3.47Å; R596-I599 PolarHBondContact O-N 3.46Å; R596-I627 HydrophobicContact CB-CG2 3.97Å; R596-I627 HydrophobicContact CG-CG2 4.3Å; R596-D629 IonicContact CZ-OD1 2.67Å; R596-D629 IonicContact NE-OD1 3.68Å; R596-D629 PolarHBondContact NE-OD1 2.82Å; R596-D629 IonicContact NH1-OD1 2.76Å; R596-D629 IonicContact NH2-OD1 2.65Å; R596-D629 PolarHBondContact NH2-OD1 2.84Å
597E89.1Confident87.9Confident64 Ų6451.3 Ų51.330%0.29928%0.278SS..THydrogen-bonded Turntrans-61.8-25.7173.4-68.359.5-120.500111.3P678E597-P678 HydrophobicContact CG-CB 4.03Å; E597-P678 HydrophobicContact CG-CG 4.47Å
598K84.9Confident87.9Confident158 Ų15851.3 Ų51.369%0.68728%0.278SS*.THydrogen-bonded Turntrans-90.9-44.6169.3-70.8170.1-163700113.5D595 R596D595-K598 HydrophobicContact CB-CB 4.32Å; D595-K598 HydrophobicContact CB-CD 4.21Å; D595-K598 PolarHBondContact O-N 3.09Å; D595-K598 VanDerWaalsContact OD1-CB 3.27Å; D595-K598 WeakPolarHBondContact OD1-CB 3.43Å; D595-K598 WeakPolarHBondContact OD1-CD 3.35Å; D595-K598 WeakPolarHBondContact OD1-CG 3.28Å; D595-K598 PolarHBondContact OD1-N 2.98Å; D595-K598 IonicContact OD1-NZ 3.57Å; D595-K598 PolarHBondContact OD1-NZ 3.1Å; D595-K598 IonicContact OD2-NZ 3.22Å; D595-K598 PolarHBondContact OD2-NZ 2.76Å; R596-K598 PolarHBondContact O-N 2.88Å
599I83.6Confident87.7Confident36 Ų3648.7 Ų48.719%0.18527%0.27CS..  trans-139.6107.8-170-48.1-178.5000111.1H577 D595 R596 V602 I627H577-I599 VanDerWaalsContact CE1-CD1 3.44Å; H577-I599 WeakPolarHBondContact CE1-CD1 3.41Å; D595-I599 PolarHBondContact O-N 2.86Å; R596-I599 WeakPolarHBondContact CA-O 3.45Å; R596-I599 CarbonylContact O-C 3.47Å; R596-I599 PolarHBondContact O-N 3.46Å; I599-V602 HydrophobicContact CG2-CG2 3.66Å; I599-I627 HydrophobicContact CB-CD1 4.1Å; I599-I627 HydrophobicContact CG2-CD1 3.84Å; I599-I627 WeakPolarHBondContact O-CB 3.49Å; I599-I627 WeakPolarHBondContact O-CD1 3.26Å
600G82.8Confident87.6Confident42 Ų4248.5 Ų48.543%0.43327%0.268SS..SBendtrans-84.8-24.9177.900000115.8I627G600-I627 PolarHBondContact O-N 2.91Å
601S86.5Confident87Confident86 Ų8649.2 Ų49.260%0.60127%0.274SS*.EExtended strand (participates in β ladder)trans-160.815717863.40000112.8I625S601-I625 CarbonylContact C-O 3.57Å; S601-I625 WeakPolarHBondContact CA-O 3.44Å
602V86.1Confident86.4Confident6 Ų648.5 Ų48.54%0.03628%0.279CS..EExtended strand (participates in β ladder)trans-140.2142-173.8177.40000111V574 F578 I599 L604 I625 I627V574-V602 HydrophobicContact CG1-CB 4.02Å; V574-V602 HydrophobicContact CG1-CG1 3.48Å; V574-V602 VanDerWaalsContact CG1-CG1 3.48Å; V574-V602 HydrophobicContact CG1-CG2 3.41Å; V574-V602 VanDerWaalsContact CG1-CG2 3.41Å; F578-V602 HydrophobicContact CD2-CG1 4.37Å; F578-V602 HydrophobicContact CE2-CB 4.05Å; F578-V602 HydrophobicContact CE2-CG1 3.82Å; F578-V602 HydrophobicContact CE2-CG2 3.98Å; F578-V602 HydrophobicContact CZ-CG2 4.42Å; I599-V602 HydrophobicContact CG2-CG2 3.66Å; V602-L604 HydrophobicContact CG1-CD2 3.58Å; V602-L604 HydrophobicContact CG1-CG 3.97Å; V602-I625 PolarHBondContact N-O 2.74Å; V602-I625 PolarHBondContact O-N 2.93Å; V602-I627 HydrophobicContact CG2-CD1 4.1Å
603T86.9Confident85.7Confident101 Ų10148.3 Ų48.362%0.6229%0.285SS*.EExtended strand (participates in β ladder)trans-120126.4167.9-61.70000109.9V623T603-V623 CarbonylContact C-O 3.5Å; T603-V623 WeakPolarHBondContact CA-O 3.2Å
604L87.9Confident85.1Confident0 Ų050 Ų500%030%0.295CS..EExtended strand (participates in β ladder)trans-113.6148.9179.7-50.8172.1000109.9F547 N575 F578 I587 V602 V623 I625F547-L604 HydrophobicContact CD1-CB 4.2Å; F547-L604 HydrophobicContact CE1-CB 4.04Å; F547-L604 HydrophobicContact CE1-CD1 3.7Å; F547-L604 HydrophobicContact CE1-CG 4.37Å; F547-L604 HydrophobicContact CZ-CD1 3.84Å; N575-L604 VanDerWaalsContact OD1-CD2 3.27Å; N575-L604 WeakPolarHBondContact OD1-CD2 3.38Å; F578-L604 HydrophobicContact CB-CD1 4.05Å; F578-L604 HydrophobicContact CD2-CD1 3.91Å; F578-L604 HydrophobicContact CD2-CD2 4.11Å; F578-L604 HydrophobicContact CG-CD1 3.94Å; I587-L604 HydrophobicContact CG2-CD1 4.44Å; V602-L604 HydrophobicContact CG1-CD2 3.58Å; V602-L604 HydrophobicContact CG1-CG 3.97Å; L604-V623 HydrophobicContact CB-CB 4.32Å; L604-V623 PolarHBondContact N-O 2.97Å; L604-V623 PolarHBondContact O-N 3.39Å; L604-I625 HydrophobicContact CD1-CD1 3.78Å
605V89.1Confident84.5Confident63 Ų6353 Ų5338%0.38232%0.316SS..EExtended strand (participates in β ladder)trans-112.3121.1171.6-177.10000108.6F547 A548 T622F547-V605 CarbonylContact C-O 3.58Å; F547-V605 WeakPolarHBondContact CA-O 3.36Å; A548-V605 HydrophobicContact CB-CB 4.09Å; A548-V605 HydrophobicContact CB-CG1 3.86Å; A548-V605 PolarHBondContact N-O 2.73Å; V605-T622 HydrophobicContact CG2-CG2 4.48Å
606V90.8Very high84.1Confident0 Ų054.1 Ų54.10%032%0.321CS..EExtended strand (participates in β ladder)trans-101131.9178.3179.50000109.4F510 T532 Y545 F547 I580 I587 T620 T621 V623F510-V606 HydrophobicContact CE1-CG1 4.39Å; F510-V606 HydrophobicContact CZ-CG1 3.97Å; T532-V606 HydrophobicContact CG2-CG2 4.25Å; Y545-V606 HydrophobicContact CD1-CG1 4.41Å; F547-V606 HydrophobicContact CD1-CG2 4.02Å; F547-V606 HydrophobicContact CE1-CG2 3.99Å; I580-V606 HydrophobicContact CD1-CB 4.39Å; I580-V606 HydrophobicContact CD1-CG1 3.51Å; I580-V606 HydrophobicContact CD1-CG2 3.9Å; I587-V606 HydrophobicContact CD1-CG2 4.04Å; V606-T620 CarbonylContact O-C 3.52Å; V606-T620 WeakPolarHBondContact O-CA 3.46Å; V606-T621 HydrophobicContact CB-CG2 4.03Å; V606-T621 PolarHBondContact N-O 2.69Å; V606-T621 PolarHBondContact O-N 2.87Å; V606-V623 HydrophobicContact CG2-CG2 3.81Å
607L91.2Very high83.9Confident30 Ų3055.6 Ų55.616%0.15733%0.328CS..EExtended strand (participates in β ladder)trans-115131.1177.7168.662.5000108.1K546 A548 A619 T620K546-L607 HydrophobicContact CD-CD2 4.44Å; K546-L607 VanDerWaalsContact CE-CD2 3.48Å; K546-L607 HydrophobicContact CG-CB 4.18Å; K546-L607 HydrophobicContact CG-CD2 4.22Å; K546-L607 HydrophobicContact CG-CG 4.23Å; K546-L607 PolarHBondContact N-O 2.84Å; K546-L607 PolarHBondContact O-N 3.09Å; K546-L607 VanDerWaalsContact O-O 3.1Å; A548-L607 HydrophobicContact CB-CB 4.31Å; L607-A619 WeakPolarHBondContact CA-O 3.45Å; L607-A619 WeakPolarHBondContact CD1-O 3.35Å; L607-T620 HydrophobicContact CB-CG2 4.2Å; L607-T620 HydrophobicContact CD1-CG2 3.8Å
608V91.5Very high84Confident0 Ų056.3 Ų56.30%034%0.337CS..EExtended strand (participates in β ladder)trans-114.4144.4171.270.60000109.9P508 F510 A534 L543 S544 Y545 T618 A619P508-V608 HydrophobicContact CB-CG1 3.95Å; P508-V608 HydrophobicContact CG-CG1 4.01Å; F510-V608 HydrophobicContact CD2-CG1 4.19Å; F510-V608 HydrophobicContact CE1-CG1 4.46Å; F510-V608 HydrophobicContact CE2-CB 4.06Å; F510-V608 HydrophobicContact CE2-CG1 3.52Å; F510-V608 HydrophobicContact CZ-CB 3.72Å; F510-V608 HydrophobicContact CZ-CG1 3.67Å; A534-V608 HydrophobicContact CB-CG1 4.06Å; A534-V608 HydrophobicContact CB-CG2 4.42Å; L543-V608 HydrophobicContact CB-CG2 4.09Å; L543-V608 HydrophobicContact CD2-CG2 3.98Å; S544-V608 WeakPolarHBondContact O-CA 3.33Å; Y545-V608 HydrophobicContact CD1-CB 4.03Å; Y545-V608 HydrophobicContact CD1-CG2 3.86Å; Y545-V608 HydrophobicContact CD2-CG2 4.42Å; Y545-V608 HydrophobicContact CE1-CB 4.2Å; Y545-V608 HydrophobicContact CE1-CG2 3.82Å; Y545-V608 HydrophobicContact CE2-CG2 4.38Å; Y545-V608 HydrophobicContact CG-CG2 4.17Å; V608-T618 VanDerWaalsContact O-CA 3.28Å; V608-T618 WeakPolarHBondContact O-CA 3.48Å; V608-A619 HydrophobicContact CG1-CB 4.06Å; V608-A619 PolarHBondContact N-O 2.86Å; V608-A619 PolarHBondContact O-N 2.9Å; V608-A619 VanDerWaalsContact O-N 3.07Å
609T90.2Very high84.2Confident9 Ų949.8 Ų49.86%0.05531%0.313CS..EExtended strand (participates in β ladder)trans-129.814017361.90000110.2L543 S544 K546 I616 F617 T618L543-T609 CarbonylContact C-O 3.56Å; L543-T609 WeakPolarHBondContact CA-O 3.48Å; S544-T609 PolarHBondContact N-O 3.21Å; S544-T609 PolarHBondContact O-N 3.4Å; K546-T609 PolarHBondContact NZ-OG1 3Å; T609-I616 HydrophobicContact CG2-CG2 4.35Å; T609-F617 WeakPolarHBondContact CA-O 3.24Å; T609-T618 HydrophobicContact CG2-CG2 3.6Å
610D87.7Confident84.6Confident0 Ų052.4 Ų52.40%033%0.331CS..SBendtrans-69-34.2179.759.1-13.7000114.9N504 A541 V542 I616 F617N504-D610 PolarHBondContact ND2-OD2 2.9Å; A541-D610 CarbonylContact C-O 3.57Å; V542-D610 CarbonylContact C-O 3.56Å; V542-D610 VanDerWaalsContact C-O 3.28Å; V542-D610 WeakPolarHBondContact CA-O 3.42Å; V542-D610 PolarHBondContact N-O 3.49Å; D610-I616 VanDerWaalsContact OD1-CA 3.23Å; D610-I616 WeakPolarHBondContact OD1-CA 3.43Å; D610-I616 VanDerWaalsContact OD1-CG2 3.29Å; D610-I616 WeakPolarHBondContact OD1-CG2 3.33Å; D610-F617 PolarHBondContact N-O 3.17Å; D610-F617 PolarHBondContact OD1-N 2.89Å; D610-F617 WeakPolarHBondContact OD2-CB 3.41Å; D610-F617 VanDerWaalsContact OD2-CD2 3.26Å; D610-F617 WeakPolarHBondContact OD2-CD2 3.36Å; D610-F617 PolarHBondContact OD2-N 3.47Å
611S76.4Confident85Confident21 Ų2150.6 Ų50.615%0.14731%0.312CS..  trans-144.2159.9-161.1174.40000111.9S613S611-S613 PolarHBondContact OG-N 2.89Å; S611-S613 PolarHBondContact OG-O 2.8Å
612V72.7Confident85.2Confident137 Ų13749.1 Ų49.183%0.8330%0.299SS*.SBendtrans-103-2.7172-73.60000113.2
613S69.5Low85.5Confident74 Ų7448.9 Ų48.952%0.51730%0.297SS..SBendtrans-140.3133.6-17851.30000111.5S611 P615S611-S613 PolarHBondContact OG-N 2.89Å; S611-S613 PolarHBondContact OG-O 2.8Å; S613-P615 CarbonylContact O-C 3.51Å
614P70.6Confident85.6Confident121 Ų12146.1 Ų46.179%0.78628%0.282SS*.SBendtrans-52.9138.2-177.2-2936.1000114.7
615P76Confident85.7Confident71 Ų7146.2 Ų46.246%0.46128%0.283SS..SBendcis-67148.6-1.130-35.8000113S613 F617S613-P615 CarbonylContact O-C 3.51Å; P615-F617 HydrophobicContact CB-CE2 4.15Å; P615-F617 HydrophobicContact CB-CZ 4.32Å; P615-F617 HydrophobicContact CG-CE2 4.5Å
616I82.3Confident85.8Confident71 Ų7149.1 Ų49.136%0.36429%0.292SS..  trans-132.2111.9174.3-58.3174.8000106.8T609 D610 T618T609-I616 HydrophobicContact CG2-CG2 4.35Å; D610-I616 VanDerWaalsContact OD1-CA 3.23Å; D610-I616 WeakPolarHBondContact OD1-CA 3.43Å; D610-I616 VanDerWaalsContact OD1-CG2 3.29Å; D610-I616 WeakPolarHBondContact OD1-CG2 3.33Å; I616-T618 HydrophobicContact CG2-CG2 4.24Å
617F85.5Confident85.8Confident77 Ų7749.6 Ų49.634%0.33829%0.294SS..  trans-93.8151172.2-58.1-73.3000111.4F506 Q507 T609 D610 P615F506-F617 WeakPolarHBondContact O-CD2 3.41Å; F506-F617 WeakPolarHBondContact O-CE2 3.41Å; Q507-F617 HydrophobicContact CB-CB 3.54Å; Q507-F617 HydrophobicContact CB-CD1 4.35Å; Q507-F617 HydrophobicContact CB-CD2 4.41Å; Q507-F617 HydrophobicContact CB-CG 3.88Å; T609-F617 WeakPolarHBondContact CA-O 3.24Å; D610-F617 PolarHBondContact N-O 3.17Å; D610-F617 PolarHBondContact OD1-N 2.89Å; D610-F617 WeakPolarHBondContact OD2-CB 3.41Å; D610-F617 VanDerWaalsContact OD2-CD2 3.26Å; D610-F617 WeakPolarHBondContact OD2-CD2 3.36Å; D610-F617 PolarHBondContact OD2-N 3.47Å; P615-F617 HydrophobicContact CB-CE2 4.15Å; P615-F617 HydrophobicContact CB-CZ 4.32Å; P615-F617 HydrophobicContact CG-CE2 4.5Å
618T90.9Very high85.8Confident79 Ų7951.7 Ų51.749%0.48531%0.305SS..EExtended strand (participates in β ladder)trans-145.6145.4-167.679.70000112.6V608 T609 I616V608-T618 VanDerWaalsContact O-CA 3.28Å; V608-T618 WeakPolarHBondContact O-CA 3.48Å; T609-T618 HydrophobicContact CG2-CG2 3.6Å; I616-T618 HydrophobicContact CG2-CG2 4.24Å
619A90.4Very high85.8Confident21 Ų2153.7 Ų53.717%0.17432%0.316CS..EExtended strand (participates in β ladder)trans-137.9162.3174.100000112.2P508 F510 L607 V608P508-A619 HydrophobicContact CG-CB 4.44Å; P508-A619 WeakPolarHBondContact O-CB 3.34Å; F510-A619 HydrophobicContact CD2-CB 4.14Å; F510-A619 HydrophobicContact CE2-CB 4.34Å; L607-A619 WeakPolarHBondContact CA-O 3.45Å; L607-A619 WeakPolarHBondContact CD1-O 3.35Å; V608-A619 HydrophobicContact CG1-CB 4.06Å; V608-A619 PolarHBondContact N-O 2.86Å; V608-A619 PolarHBondContact O-N 2.9Å; V608-A619 VanDerWaalsContact O-N 3.07Å
620T91.9Very high85.8Confident91 Ų9157.4 Ų57.456%0.55833%0.333SS*.EExtended strand (participates in β ladder)trans-132.9151.8-178.553.80000113.6V606 L607V606-T620 CarbonylContact O-C 3.52Å; V606-T620 WeakPolarHBondContact O-CA 3.46Å; L607-T620 HydrophobicContact CB-CG2 4.2Å; L607-T620 HydrophobicContact CD1-CG2 3.8Å
621T91.5Very high85.9Confident5 Ų559 Ų593%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-145.9158.7174-166.80000110.5F510 R512 R513 Y515 T532 V606F510-T621 HydrophobicContact CD1-CG2 3.69Å; F510-T621 HydrophobicContact CD2-CG2 3.97Å; F510-T621 HydrophobicContact CE1-CG2 3.58Å; F510-T621 HydrophobicContact CE2-CG2 3.86Å; F510-T621 HydrophobicContact CG-CG2 3.89Å; F510-T621 HydrophobicContact CZ-CG2 3.67Å; R512-T621 PolarHBondContact O-OG1 2.78Å; R513-T621 VanDerWaalsContact C-OG1 3.26Å; R513-T621 PolarHBondContact O-OG1 3.28Å; Y515-T621 HydrophobicContact CD2-CG2 4.26Å; Y515-T621 HydrophobicContact CE2-CG2 3.91Å; T532-T621 HydrophobicContact CG2-CG2 4.44Å; V606-T621 HydrophobicContact CB-CG2 4.03Å; V606-T621 PolarHBondContact N-O 2.69Å; V606-T621 PolarHBondContact O-N 2.87Å
622T91.1Very high86.6Confident54 Ų5461.4 Ų61.433%0.33135%0.353SS..EExtended strand (participates in β ladder)trans-107.5151.8179.861.90000112.7R513 V514 Y515 V605R513-T622 PolarHBondContact O-N 3.45Å; V514-T622 CarbonylContact C-O 3.6Å; V514-T622 WeakPolarHBondContact CA-O 3.26Å; Y515-T622 PolarHBondContact N-O 3.43Å; V605-T622 HydrophobicContact CG2-CG2 4.48Å
623V90.9Very high87.4Confident1 Ų157.6 Ų57.61%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-136126.9-177.1-1750000109.3Y515 L530 T532 I587 T603 L604 V606 I625Y515-V623 HydrophobicContact CD2-CG2 4.42Å; Y515-V623 WeakPolarHBondContact O-CA 3.42Å; L530-V623 HydrophobicContact CD1-CG1 4.19Å; L530-V623 HydrophobicContact CD2-CG1 3.65Å; L530-V623 HydrophobicContact CG-CG1 4.42Å; T532-V623 HydrophobicContact CG2-CG2 3.9Å; I587-V623 HydrophobicContact CD1-CB 4.37Å; I587-V623 HydrophobicContact CD1-CG1 4.01Å; I587-V623 HydrophobicContact CD1-CG2 3.94Å; T603-V623 CarbonylContact C-O 3.5Å; T603-V623 WeakPolarHBondContact CA-O 3.2Å; L604-V623 HydrophobicContact CB-CB 4.32Å; L604-V623 PolarHBondContact N-O 2.97Å; L604-V623 PolarHBondContact O-N 3.39Å; V606-V623 HydrophobicContact CG2-CG2 3.81Å; V623-I625 HydrophobicContact CG1-CG1 4.24Å
624S89.5Confident88.3Confident44 Ų4456.1 Ų56.131%0.30832%0.32SS..EExtended strand (participates in β ladder)trans-111.1135.6175.9-171.90000110.8Y515 V516 S517Y515-S624 PolarHBondContact O-N 2.93Å; V516-S624 WeakPolarHBondContact CA-O 3.33Å; S517-S624 PolarHBondContact N-O 3.24Å; S517-S624 VanDerWaalsContact N-O 3.07Å
625I90.3Very high89.3Confident1 Ų150.3 Ų50.31%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-130.9123.9-176.9-55.1178.7000109.2S517 V519 I529 F578 S601 V602 L604 V623S517-I625 WeakPolarHBondContact O-CA 3.36Å; V519-I625 HydrophobicContact CB-CG2 4.46Å; V519-I625 HydrophobicContact CG2-CG2 3.77Å; I529-I625 HydrophobicContact CG2-CD1 4.34Å; F578-I625 HydrophobicContact CD1-CD1 3.91Å; F578-I625 HydrophobicContact CE1-CD1 3.64Å; F578-I625 HydrophobicContact CE1-CG2 4.26Å; F578-I625 HydrophobicContact CE2-CD1 4.37Å; F578-I625 HydrophobicContact CG-CD1 4.37Å; F578-I625 HydrophobicContact CZ-CD1 3.89Å; F578-I625 HydrophobicContact CZ-CG2 4.16Å; S601-I625 CarbonylContact C-O 3.57Å; S601-I625 WeakPolarHBondContact CA-O 3.44Å; V602-I625 PolarHBondContact N-O 2.74Å; V602-I625 PolarHBondContact O-N 2.93Å; L604-I625 HydrophobicContact CD1-CD1 3.78Å; V623-I625 HydrophobicContact CG1-CG1 4.24Å
626E90.4Very high89.9Confident125 Ų12550.8 Ų50.858%0.58428%0.283SS*.EExtended strand (participates in β ladder)trans-95.5139.5171.5-173.9171.8-160.600110S517 G518 V519 L628S517-E626 PolarHBondContact O-N 3.46Å; S517-E626 VanDerWaalsContact O-N 3.08Å; G518-E626 CarbonylContact C-O 3.57Å; G518-E626 VanDerWaalsContact CA-O 3.27Å; G518-E626 WeakPolarHBondContact CA-O 3.49Å; V519-E626 PolarHBondContact N-O 3.2Å; E626-L628 HydrophobicContact CG-CD2 4.2Å
627I90.6Very high90.1Very high9 Ų947.5 Ų47.55%0.04627%0.267CS..EExtended strand (participates in β ladder)trans-107.4129.5-178.9-63163.5000108.8V519 E521 L594 R596 I599 G600 V602V519-I627 CarbonylContact O-C 3.6Å; V519-I627 WeakPolarHBondContact O-CA 3.48Å; E521-I627 HydrophobicContact CB-CG2 4.01Å; L594-I627 HydrophobicContact CB-CG2 4.48Å; L594-I627 HydrophobicContact CD2-CD1 3.92Å; R596-I627 HydrophobicContact CB-CG2 3.97Å; R596-I627 HydrophobicContact CG-CG2 4.3Å; I599-I627 HydrophobicContact CB-CD1 4.1Å; I599-I627 HydrophobicContact CG2-CD1 3.84Å; I599-I627 WeakPolarHBondContact O-CB 3.49Å; I599-I627 WeakPolarHBondContact O-CD1 3.26Å; G600-I627 PolarHBondContact O-N 2.91Å; V602-I627 HydrophobicContact CG2-CD1 4.1Å
628L91.2Very high90.1Very high74 Ų7446.6 Ų46.639%0.38727%0.268SS..EExtended strand (participates in β ladder)trans-107.4136-166.7-51.9174.7000112.1V519 E521 E626V519-L628 PolarHBondContact O-N 3.32Å; E521-L628 PolarHBondContact N-O 3.26Å; E521-L628 VanDerWaalsContact N-O 3.17Å; E626-L628 HydrophobicContact CG-CD2 4.2Å
629D91.9Very high89.5Confident43 Ų4344.7 Ų44.723%0.2325%0.254CS..  trans-68.4128.6-176.7-170.897.7000113.6E521 R596 Q680 N683E521-D629 VanDerWaalsContact OE1-CA 3.28Å; E521-D629 WeakPolarHBondContact OE1-CA 3.47Å; R596-D629 IonicContact CZ-OD1 2.67Å; R596-D629 IonicContact NE-OD1 3.68Å; R596-D629 PolarHBondContact NE-OD1 2.82Å; R596-D629 IonicContact NH1-OD1 2.76Å; R596-D629 IonicContact NH2-OD1 2.65Å; R596-D629 PolarHBondContact NH2-OD1 2.84Å; D629-Q680 HydrophobicContact CB-CB 4.22Å; D629-Q680 VanDerWaalsContact CG-CB 3.48Å; D629-Q680 WeakPolarHBondContact OD1-CA 3.34Å; D629-Q680 WeakPolarHBondContact OD1-CB 3.27Å; D629-Q680 PolarHBondContact OD1-N 3.36Å; D629-N683 PolarHBondContact OD2-ND2 2.77Å
630E90.1Very high88.8Confident86 Ų8644 Ų4440%0.40225%0.248SC..  trans-123.7147.5167.5-61.4-163.314300110.9P520 E521 D632P520-E630 HydrophobicContact CB-CG 4.39Å; E521-E630 PolarHBondContact OE1-N 2.9Å; E630-D632 VanDerWaalsContact C-N 3.34Å; E630-D632 PolarHBondContact O-N 2.58Å
631N90.8Very high87.6Confident33 Ų3342.5 Ų42.518%0.17624%0.24CC..  trans-79.275.7-175.9-167.1118.5000111.3D679 N683 D773 G775 L779N631-D679 VanDerWaalsContact CA-OD2 3.3Å; N631-D679 WeakPolarHBondContact CA-OD2 3.35Å; N631-N683 HydrophobicContact CB-CB 4.14Å; N631-N683 WeakPolarHBondContact OD1-CA 3.25Å; N631-N683 WeakPolarHBondContact OD1-CB 3.04Å; N631-N683 PolarHBondContact OD1-OD1 2.97Å; N631-N683 VanDerWaalsContact OD1-OD1 3.13Å; N631-D773 PolarHBondContact ND2-OD2 3.41Å; N631-G775 WeakPolarHBondContact OD1-CA 3.29Å; N631-L779 WeakPolarHBondContact ND2-CD1 3.45Å; N631-L779 WeakPolarHBondContact ND2-CG 3.32Å; N631-L779 WeakPolarHBondContact O-CD1 3.2Å
632D90.2Very high86.1Confident73 Ų7345 Ų4539%0.3926%0.255SS..  trans-105.9-18.9-175.789.62.9000115.3N522 E630 D679N522-D632 PolarHBondContact ND2-OD2 3.36Å; E630-D632 VanDerWaalsContact C-N 3.34Å; E630-D632 PolarHBondContact O-N 2.58Å; D632-D679 PolarHBondContact N-OD2 3.47Å; D632-D679 VanDerWaalsContact N-OD2 3.13Å
633N88.7Confident84.4Confident57 Ų5750.2 Ų50.231%0.30527%0.269SS..PPolyproline II helixtrans-92.9131.2177.1-63.1-83.7000111.5P678 D679 L779N633-P678 HydrophobicContact CB-CG 3.43Å; N633-P678 VanDerWaalsContact CB-CG 3.43Å; N633-P678 VanDerWaalsContact CG-CG 3.48Å; N633-D679 VanDerWaalsContact CB-OD1 3.22Å; N633-D679 WeakPolarHBondContact CB-OD1 3.23Å; N633-D679 PolarHBondContact N-OD2 3.24Å; N633-D679 VanDerWaalsContact N-OD2 3.14Å; N633-D679 PolarHBondContact ND2-OD1 3.09Å; N633-L779 WeakPolarHBondContact O-CD1 3.26Å
634A88.6Confident82Confident42 Ų4253.9 Ų53.935%0.34729%0.294SS..PPolyproline II helixtrans-88142.6176.500000111.6V636 L779A634-V636 WeakPolarHBondContact O-CG2 3.34Å; A634-V636 PolarHBondContact O-N 3.35Å; A634-L779 HydrophobicContact CB-CB 3.87Å; A634-L779 HydrophobicContact CB-CD1 4.28Å
635P92.5Very high79.5Confident0 Ų057.8 Ų57.80%032%0.322CS..PPolyproline II helixtrans-62.7119.5-178.519.6-31.1000112.4K676 D677 V686 V771 D773 S781P635-K676 CarbonylContact C-O 3.55Å; P635-K676 WeakPolarHBondContact CA-O 3.33Å; P635-D677 WeakPolarHBondContact CA-OD2 3.27Å; P635-D677 HydrophobicContact CB-CB 4.34Å; P635-D677 WeakPolarHBondContact CB-OD2 3.1Å; P635-D677 VanDerWaalsContact CD-OD2 3.3Å; P635-D677 WeakPolarHBondContact CD-OD2 3.49Å; P635-V686 HydrophobicContact CB-CG1 3.7Å; P635-V771 HydrophobicContact CB-CG1 4.15Å; P635-V771 HydrophobicContact CB-CG2 4.46Å; P635-V771 HydrophobicContact CG-CG1 4.34Å; P635-V771 WeakPolarHBondContact O-CG1 3.46Å; P635-D773 HydrophobicContact CG-CB 4.21Å; P635-S781 VanDerWaalsContact O-CB 3.24Å; P635-S781 WeakPolarHBondContact O-CB 3.36Å; P635-S781 PolarHBondContact O-OG 3.01Å
636V87.8Confident76.9Confident80 Ų8066 Ų6649%0.48536%0.36SS..EExtended strand (participates in β ladder)trans-96.1128.2-176.1-173.30000110.2A634 T638 V642 A675 K676A634-V636 WeakPolarHBondContact O-CG2 3.34Å; A634-V636 PolarHBondContact O-N 3.35Å; V636-T638 PolarHBondContact O-N 3.12Å; V636-V642 HydrophobicContact CG1-CB 4.3Å; V636-V642 HydrophobicContact CG1-CG2 3.78Å; V636-A675 CarbonylContact O-C 3.58Å; V636-A675 WeakPolarHBondContact O-CA 3.21Å; V636-A675 WeakPolarHBondContact O-CB 3.22Å; V636-K676 PolarHBondContact N-O 2.89Å; V636-K676 PolarHBondContact O-N 2.88Å
637F87.3Confident74Confident3 Ų363 Ų631%0.01336%0.356CS..EExtended strand (participates in β ladder)trans-62.1128.3170.1-71.6-95.9000111P640 P641 V642 E674 F688 I769 V771 S781 T783F637-P640 WeakPolarHBondContact CB-O 3.29Å; F637-P641 WeakPolarHBondContact O-CA 3.31Å; F637-V642 HydrophobicContact CB-CG2 3.81Å; F637-V642 HydrophobicContact CD2-CG2 4.15Å; F637-V642 HydrophobicContact CG-CG2 4.49Å; F637-V642 PolarHBondContact O-N 2.99Å; F637-E674 CarbonylContact C-O 3.59Å; F637-E674 VanDerWaalsContact CA-O 3.32Å; F637-E674 WeakPolarHBondContact CA-O 3.07Å; F637-F688 HydrophobicContact CD1-CD1 4.41Å; F637-F688 AromaticContact CD1-CE1 3.92Å; F637-F688 HydrophobicContact CD1-CE1 3.92Å; F637-F688 AromaticContact CE1-CD1 3.71Å; F637-F688 HydrophobicContact CE1-CD1 3.71Å; F637-F688 AromaticContact CE1-CE1 3.68Å; F637-F688 HydrophobicContact CE1-CE1 3.68Å; F637-F688 HydrophobicContact CZ-CD1 4.33Å; F637-I769 HydrophobicContact CD1-CD1 4.49Å; F637-I769 HydrophobicContact CE1-CD1 3.72Å; F637-I769 HydrophobicContact CE1-CG1 4.22Å; F637-I769 HydrophobicContact CZ-CD1 3.95Å; F637-I769 HydrophobicContact CZ-CG1 3.92Å; F637-V771 HydrophobicContact CD2-CG1 3.72Å; F637-V771 HydrophobicContact CE1-CB 4.22Å; F637-V771 HydrophobicContact CE1-CG1 4.4Å; F637-V771 HydrophobicContact CE2-CB 3.96Å; F637-V771 HydrophobicContact CE2-CG1 3.5Å; F637-V771 HydrophobicContact CG-CG1 4.27Å; F637-V771 HydrophobicContact CZ-CB 3.8Å; F637-V771 HydrophobicContact CZ-CG1 3.88Å; F637-S781 WeakPolarHBondContact CD2-OG 3.31Å; F637-T783 HydrophobicContact CD2-CG2 3.99Å; F637-T783 HydrophobicContact CE1-CG2 4.46Å; F637-T783 HydrophobicContact CE2-CG2 3.93Å; F637-T783 HydrophobicContact CG-CG2 4.28Å; F637-T783 HydrophobicContact CZ-CG2 4.16Å
638T84.5Confident71.2Confident58 Ų5868 Ų6836%0.35639%0.389SS..EExtended strand (participates in β ladder)trans-94.6-26169.654.60000112V636 E674 A675 K676V636-T638 PolarHBondContact O-N 3.12Å; T638-E674 PolarHBondContact N-O 2.9Å; T638-E674 VanDerWaalsContact OG1-C 3.28Å; T638-E674 WeakPolarHBondContact OG1-CB 3.47Å; T638-E674 PolarHBondContact OG1-O 2.81Å; T638-A675 PolarHBondContact OG1-N 2.88Å; T638-K676 HydrophobicContact CG2-CB 4.07Å; T638-K676 HydrophobicContact CG2-CD 3.99Å; T638-K676 HydrophobicContact CG2-CG 3.79Å
639N79.4Confident68.4Low38 Ų3869.2 Ų69.220%0.20339%0.393CS..EExtended strand (participates in β ladder)trans-141.5124.8166-163.648.3000111.7Q671 R672 L673 E674N639-Q671 PolarHBondContact ND2-OE1 3.25Å; N639-Q671 PolarHBondContact OD1-OE1 3.49Å; N639-R672 PolarHBondContact ND2-O 2.84Å; N639-L673 VanDerWaalsContact O-CA 3.32Å; N639-L673 WeakPolarHBondContact O-CA 3.17Å; N639-E674 HydrophobicContact CB-CB 4.07Å; N639-E674 HydrophobicContact CB-CG 4.31Å; N639-E674 PolarHBondContact N-O 2.85Å; N639-E674 VanDerWaalsContact N-O 3.15Å; N639-E674 PolarHBondContact O-N 2.98Å
640P75.1Confident65.7Low6 Ų670.3 Ų70.34%0.03941%0.414CS..THydrogen-bonded Turncis-61140.2-1732.4-37.9000109.6F637 V642 F655 L673 T783 L785F637-P640 WeakPolarHBondContact CB-O 3.29Å; P640-V642 PolarHBondContact O-N 3.11Å; P640-F655 HydrophobicContact CB-CD1 3.52Å; P640-F655 HydrophobicContact CB-CE1 3.77Å; P640-F655 HydrophobicContact CB-CG 4.29Å; P640-L673 VanDerWaalsContact CD-CD2 3.48Å; P640-T783 HydrophobicContact CG-CG2 4.07Å; P640-L785 HydrophobicContact CB-CD2 4.29Å; P640-L785 HydrophobicContact CG-CD2 3.81Å; P640-L785 HydrophobicContact CG-CG 4.47Å
641P67Low63.3Low60 Ų6069.7 Ų69.739%0.3941%0.414SS..BIsolated β-bridgetrans-56.3137.7174.724.2-34.6000110.8F637 R643 F655F637-P641 WeakPolarHBondContact O-CA 3.31Å; P641-R643 PolarHBondContact O-N 3.34Å; P641-F655 HydrophobicContact CG-CE1 4.11Å; P641-F655 HydrophobicContact CG-CZ 3.62Å
642V60.4Low60.9Low57 Ų5770.5 Ų70.535%0.34542%0.418SS..PPolyproline II helixtrans-59.9134.4174.6-174.80000108.9V636 F637 P640 S644V636-V642 HydrophobicContact CG1-CB 4.3Å; V636-V642 HydrophobicContact CG1-CG2 3.78Å; F637-V642 HydrophobicContact CB-CG2 3.81Å; F637-V642 HydrophobicContact CD2-CG2 4.15Å; F637-V642 HydrophobicContact CG-CG2 4.49Å; F637-V642 PolarHBondContact O-N 2.99Å; P640-V642 PolarHBondContact O-N 3.11Å; V642-S644 PolarHBondContact O-N 3.05Å
643R56Low58.8Low165 Ų16575.1 Ų75.162%0.62344%0.437SS*.  trans-59.8110.8173.5-74.7-176.2176.7-168.1-5.5109.5P641 N652P641-R643 PolarHBondContact O-N 3.34Å; R643-N652 PolarHBondContact NH2-OD1 2.72Å
644S39.2Very low56.8Low78 Ų7878.4 Ų78.455%0.54545%0.449SS..  trans-64.9148.7158.957.10000109.3V642 E646V642-S644 PolarHBondContact O-N 3.05Å; S644-E646 PolarHBondContact O-N 2.87Å; S644-E646 VanDerWaalsContact O-N 3.07Å
645S38.4Very low55.4Low126 Ų12678.3 Ų78.388%0.88144%0.44SS*.THydrogen-bonded Turntrans-68.91177.9430000114.3
646E34.4Very low54.1Low174 Ų17479.2 Ų79.281%0.81345%0.448SS*.THydrogen-bonded Turntrans-128.47.8-171.2-58-175.5142.400112.8S644S644-E646 PolarHBondContact O-N 2.87Å; S644-E646 VanDerWaalsContact O-N 3.07Å
647A30.4Very low53.7Low60 Ų6076.8 Ų76.850%0.49643%0.431SS..  trans-68.5126.7174.300000110.9
648P31.2Very low53.5Low115 Ų11581 Ų8175%0.74746%0.457SS*.  trans-65.1152.3-178.826.1-34.1000112.2G650P648-G650 PolarHBondContact O-N 3.47Å
649Q32.7Very low53.6Low100 Ų10078.8 Ų78.847%0.46744%0.443SS..THydrogen-bonded Turntrans-60.43.2-164.3-73.2168-35.800117.5N652 D726Q649-N652 PolarHBondContact O-ND2 3Å; Q649-D726 PolarHBondContact NE2-OD1 2.72Å
650G35.6Very low54Low65 Ų6582.9 Ų82.967%0.6746%0.462SS*.THydrogen-bonded Turntrans-83.7-24.9-176.500000116.6P648 N652P648-G650 PolarHBondContact O-N 3.47Å; G650-N652 PolarHBondContact O-N 3.15Å
651D38.7Very low54.5Low74 Ų7483.6 Ų83.640%0.39647%0.465SS..G310 helixtrans-90.29.9-166-111.623.5000115.8E653 K654D651-E653 PolarHBondContact O-N 2.89Å; D651-E653 VanDerWaalsContact O-N 3.17Å; D651-K654 PolarHBondContact O-N 2.61Å; D651-K654 VanDerWaalsContact O-N 3.17Å; D651-K654 IonicContact OD1-NZ 3.22Å; D651-K654 PolarHBondContact OD1-NZ 3.16Å; D651-K654 WeakPolarHBondContact OD2-CD 3.43Å; D651-K654 IonicContact OD2-NZ 3.17Å; D651-K654 PolarHBondContact OD2-NZ 3.29Å
652N40.4Very low55.4Low50 Ų5086.9 Ų86.927%0.26748%0.48SS..G310 helixtrans-64.1-20.3-177.5-75.7-69.1000114.3R643 Q649 G650 L727R643-N652 PolarHBondContact NH2-OD1 2.72Å; Q649-N652 PolarHBondContact O-ND2 3Å; G650-N652 PolarHBondContact O-N 3.15Å; N652-L727 HydrophobicContact CB-CD1 3.89Å
653E46.2Very low56.5Low169 Ų16985 Ų8579%0.7947%0.47SS*.G310 helixtrans-82.1-25.5177-60.8-171.4152.900113.2D651 F655 A656D651-E653 PolarHBondContact O-N 2.89Å; D651-E653 VanDerWaalsContact O-N 3.17Å; E653-F655 PolarHBondContact O-N 3.05Å; E653-F655 VanDerWaalsContact O-N 3.08Å; E653-A656 PolarHBondContact O-N 3.35Å; E653-A656 VanDerWaalsContact O-N 3.15Å
654K47.6Very low58.1Low127 Ų12781.5 Ų81.555%0.55247%0.469SS*.THydrogen-bonded Turntrans-60.9-23.1-178-79.3-153.3-17986.20114.1D651D651-K654 PolarHBondContact O-N 2.61Å; D651-K654 VanDerWaalsContact O-N 3.17Å; D651-K654 IonicContact OD1-NZ 3.22Å; D651-K654 PolarHBondContact OD1-NZ 3.16Å; D651-K654 WeakPolarHBondContact OD2-CD 3.43Å; D651-K654 IonicContact OD2-NZ 3.17Å; D651-K654 PolarHBondContact OD2-NZ 3.29Å
655F59.6Low60.4Low39 Ų3984 Ų8417%0.17147%0.466CS..THydrogen-bonded Turntrans-117.418.1-177-47-57.9000112.8P640 P641 E653 L785 R786P640-F655 HydrophobicContact CB-CD1 3.52Å; P640-F655 HydrophobicContact CB-CE1 3.77Å; P640-F655 HydrophobicContact CB-CG 4.29Å; P641-F655 HydrophobicContact CG-CE1 4.11Å; P641-F655 HydrophobicContact CG-CZ 3.62Å; E653-F655 PolarHBondContact O-N 3.05Å; E653-F655 VanDerWaalsContact O-N 3.08Å; F655-L785 HydrophobicContact CB-CD2 4.32Å; F655-R786 PolarHBondContact O-N 2.97Å
656A63.9Low62.8Low20 Ų2083.8 Ų83.817%0.16545%0.45CS..EExtended strand (participates in β ladder)trans-103.9105.4172.100000109.7E653 T658 R786E653-A656 PolarHBondContact O-N 3.35Å; E653-A656 VanDerWaalsContact O-N 3.15Å; A656-T658 PolarHBondContact O-N 3.11Å; A656-R786 CarbonylContact C-O 3.33Å; A656-R786 WeakPolarHBondContact CA-O 3.36Å
657F80.5Confident65.3Low29 Ų2977.7 Ų77.713%0.12742%0.424CS..EExtended strand (participates in β ladder)trans-76.9114172.3-60-80.2000109.2L669 Q671 L785 R786 V787 N788F657-L669 HydrophobicContact CB-CB 4.4Å; F657-L669 HydrophobicContact CB-CD1 4.3Å; F657-L669 HydrophobicContact CB-CD2 4.17Å; F657-L669 HydrophobicContact CD1-CB 3.85Å; F657-L669 HydrophobicContact CD2-CB 4.38Å; F657-L669 HydrophobicContact CD2-CD1 4.32Å; F657-L669 HydrophobicContact CE1-CB 4.18Å; F657-L669 HydrophobicContact CG-CB 3.96Å; F657-L669 HydrophobicContact CG-CD1 4.31Å; F657-Q671 HydrophobicContact CE1-CG 4.43Å; F657-L785 HydrophobicContact CE2-CB 4.29Å; F657-L785 HydrophobicContact CE2-CD1 4.01Å; F657-L785 HydrophobicContact CE2-CD2 3.76Å; F657-L785 HydrophobicContact CE2-CG 4.24Å; F657-L785 HydrophobicContact CZ-CD2 4.5Å; F657-R786 PolarHBondContact N-O 3.4Å; F657-V787 HydrophobicContact CB-CG2 4.48Å; F657-V787 CarbonylContact O-C 3.5Å; F657-V787 VanDerWaalsContact O-CA 3.25Å; F657-V787 WeakPolarHBondContact O-CA 3.47Å; F657-N788 PolarHBondContact O-N 2.84Å
658T82Confident68Low90 Ų9080.2 Ų80.255%0.55243%0.426SS*.EExtended strand (participates in β ladder)trans-83.7132.117551.20000111A656 N788A656-T658 PolarHBondContact O-N 3.11Å; T658-N788 HydrophobicContact CG2-CB 4.36Å
659I87.5Confident70.1Confident13 Ų1375.1 Ų75.17%0.06739%0.392CS..EExtended strand (participates in β ladder)trans-132.2138.9171.6-170.1164.2000108.5A663 T667 T753 L757 V787 N788 V789 Q790I659-A663 HydrophobicContact CD1-CB 3.89Å; I659-A663 HydrophobicContact CG1-CB 3.63Å; I659-T667 HydrophobicContact CD1-CG2 4.29Å; I659-T753 HydrophobicContact CD1-CG2 3.98Å; I659-L757 HydrophobicContact CD1-CD1 4.18Å; I659-L757 HydrophobicContact CG2-CD1 3.66Å; I659-V787 HydrophobicContact CG2-CG1 3.79Å; I659-N788 PolarHBondContact N-O 3.43Å; I659-N788 VanDerWaalsContact O-O 3.11Å; I659-V789 HydrophobicContact CG2-CG2 4.41Å; I659-V789 WeakPolarHBondContact O-CA 3.35Å; I659-Q790 PolarHBondContact O-N 2.91Å; I659-Q790 VanDerWaalsContact O-N 3.13Å
660M86.4Confident71.3Confident123 Ų12375.4 Ų75.461%0.60641%0.405SS*.  trans-73.8146.2173-168.2166.8-80.200108.8A663M660-A663 WeakPolarHBondContact O-CB 3.49Å; M660-A663 PolarHBondContact O-N 3.02Å
661E87.4Confident72.8Confident22 Ų2276.4 Ų76.410%0.10339%0.393CS..THydrogen-bonded Turntrans-59.6155.5166.258.5-168155.600111.2A663 L757 R759 V789 Q790 A792E661-A663 PolarHBondContact O-N 2.95Å; E661-L757 WeakPolarHBondContact CA-O 3.15Å; E661-R759 WeakPolarHBondContact OE2-CB 3.33Å; E661-R759 PolarHBondContact OE2-N 3.34Å; E661-V789 HydrophobicContact CB-CG1 3.7Å; E661-Q790 VanDerWaalsContact CD-O 3.29Å; E661-Q790 WeakPolarHBondContact CG-O 3.38Å; E661-A792 PolarHBondContact OE1-N 2.89Å; E661-A792 VanDerWaalsContact OE1-N 3.08Å
662N85.7Confident74.9Confident129 Ų12979.3 Ų79.369%0.6940%0.398SS*.THydrogen-bonded Turntrans62.118.2-173.3-55.5-80.6000115.3L757N662-L757 PolarHBondContact N-O 2.8Å
663A83.6Confident77.1Confident18 Ų1877.2 Ų77.215%0.14939%0.387CS..PPolyproline II helixtrans-73.7151176.200000114.3I659 M660 E661 E756I659-A663 HydrophobicContact CD1-CB 3.89Å; I659-A663 HydrophobicContact CG1-CB 3.63Å; M660-A663 WeakPolarHBondContact O-CB 3.49Å; M660-A663 PolarHBondContact O-N 3.02Å; E661-A663 PolarHBondContact O-N 2.95Å; A663-E756 WeakPolarHBondContact O-CG 3.42Å
664P88.2Confident79Confident90 Ų9073.7 Ų73.758%0.58437%0.37SS*.PPolyproline II helixtrans-68.5159.4-174.5-22.234.9000116.5T667 T753P664-T667 WeakPolarHBondContact O-CB 3.44Å; P664-T667 PolarHBondContact O-OG1 2.85Å; P664-T753 PolarHBondContact O-OG1 2.7Å
665R87.6Confident81Confident131 Ų13168.5 Ų68.549%0.49435%0.351SS..THydrogen-bonded Turntrans-68.1154.5171.7-52-175.7-167-134.3-7112.4T667 L754 E756R665-T667 PolarHBondContact O-N 3.29Å; R665-L754 WeakPolarHBondContact CD-O 3.48Å; R665-E756 WeakPolarHBondContact CG-OE1 3.36Å; R665-E756 IonicContact CZ-OE1 2.88Å; R665-E756 IonicContact NE-OE1 2.7Å; R665-E756 PolarHBondContact NE-OE1 2.69Å; R665-E756 IonicContact NH2-OE1 2.67Å; R665-E756 PolarHBondContact NH2-OE1 2.62Å
666F88.4Confident82.5Confident122 Ų12274 Ų7454%0.53538%0.375SS..THydrogen-bonded Turntrans59.923.3-174.1-49.2-64.8000114.1Q668 T753 L754F666-Q668 PolarHBondContact O-N 2.85Å; F666-T753 WeakPolarHBondContact CA-O 3.45Å; F666-T753 PolarHBondContact N-O 2.75Å; F666-T753 PolarHBondContact N-OG1 3.29Å; F666-L754 HydrophobicContact CD1-CD2 4.05Å; F666-L754 HydrophobicContact CE1-CD2 3.66Å
667T88.5Confident83.9Confident46 Ų4674.3 Ų74.328%0.28237%0.374SS..  trans-68.3123.6170.8-67.10000108I659 P664 R665 E752 T753I659-T667 HydrophobicContact CD1-CG2 4.29Å; P664-T667 WeakPolarHBondContact O-CB 3.44Å; P664-T667 PolarHBondContact O-OG1 2.85Å; R665-T667 PolarHBondContact O-N 3.29Å; T667-E752 WeakPolarHBondContact O-CA 3.28Å; T667-T753 PolarHBondContact N-OG1 3.31Å; T667-T753 PolarHBondContact O-N 2.96Å
668Q86.5Confident84.4Confident113 Ų11376.3 Ų76.353%0.52839%0.39SS..EExtended strand (participates in β ladder)trans-80.6129-179.2-57.1-163-40.700110F666 S670 E752F666-Q668 PolarHBondContact O-N 2.85Å; Q668-S670 PolarHBondContact O-N 3.07Å; Q668-E752 HydrophobicContact CG-CG 4.09Å; Q668-E752 PolarHBondContact NE2-OE1 3.08Å
669L74.8Confident84.9Confident8 Ų872.4 Ų72.44%0.04237%0.365CS..EExtended strand (participates in β ladder)trans-83.3103168.8-53.4-175.2000106.5F657 Q671 F743 I751 T753 L767 V787F657-L669 HydrophobicContact CB-CB 4.4Å; F657-L669 HydrophobicContact CB-CD1 4.3Å; F657-L669 HydrophobicContact CB-CD2 4.17Å; F657-L669 HydrophobicContact CD1-CB 3.85Å; F657-L669 HydrophobicContact CD2-CB 4.38Å; F657-L669 HydrophobicContact CD2-CD1 4.32Å; F657-L669 HydrophobicContact CE1-CB 4.18Å; F657-L669 HydrophobicContact CG-CB 3.96Å; F657-L669 HydrophobicContact CG-CD1 4.31Å; L669-Q671 VanDerWaalsContact C-N 3.28Å; L669-Q671 PolarHBondContact O-N 3.16Å; L669-F743 HydrophobicContact CD1-CD1 4.05Å; L669-F743 HydrophobicContact CD1-CE1 3.91Å; L669-I751 HydrophobicContact CB-CB 4.29Å; L669-I751 HydrophobicContact CD1-CG2 4.04Å; L669-I751 PolarHBondContact N-O 2.83Å; L669-T753 HydrophobicContact CD2-CG2 4.48Å; L669-L767 HydrophobicContact CD1-CD1 4.4Å; L669-V787 HydrophobicContact CD1-CG2 3.85Å
670S57.6Low85Confident106 Ų10677.3 Ų77.374%0.74139%0.388SS*.EExtended strand (participates in β ladder)trans-73.940.8-141.2520000118.4Q668Q668-S670 PolarHBondContact O-N 3.07Å
671Q68.8Low85.1Confident86 Ų8674.5 Ų74.540%0.40239%0.39SS..EExtended strand (participates in β ladder)trans-136.7164.8175.8-66.4-1671500114.2N639 F657 L669N639-Q671 PolarHBondContact ND2-OE1 3.25Å; N639-Q671 PolarHBondContact OD1-OE1 3.49Å; F657-Q671 HydrophobicContact CE1-CG 4.43Å; L669-Q671 VanDerWaalsContact C-N 3.28Å; L669-Q671 PolarHBondContact O-N 3.16Å
672R81.7Confident85.2Confident134 Ų13477.3 Ų77.351%0.50641%0.406SS..EExtended strand (participates in β ladder)trans-108139.2176-172.7-170.7-179.3-160.7-5.2110.8N639 N748 G749N639-R672 PolarHBondContact ND2-O 2.84Å; R672-N748 WeakPolarHBondContact CG-O 3.41Å; R672-N748 PolarHBondContact NE-O 2.97Å; R672-G749 CarbonylContact C-O 3.47Å; R672-G749 WeakPolarHBondContact CA-O 3.13Å
673L86.2Confident85.4Confident7 Ų772.6 Ų72.64%0.03738%0.381CS..  trans-77.5137.3174-60.4177.4000112.5N639 P640 F688 I745 G749 I769N639-L673 VanDerWaalsContact O-CA 3.32Å; N639-L673 WeakPolarHBondContact O-CA 3.17Å; P640-L673 VanDerWaalsContact CD-CD2 3.48Å; L673-F688 HydrophobicContact CB-CD1 4.15Å; L673-F688 HydrophobicContact CB-CE1 4.06Å; L673-F688 HydrophobicContact CB-CE2 4.48Å; L673-F688 HydrophobicContact CB-CG 4.42Å; L673-F688 HydrophobicContact CB-CZ 4.24Å; L673-F688 HydrophobicContact CD1-CD1 4.48Å; L673-I745 HydrophobicContact CD1-CD1 3.92Å; L673-I745 HydrophobicContact CD1-CG2 4.38Å; L673-G749 WeakPolarHBondContact CG-O 3.33Å; L673-G749 PolarHBondContact N-O 3.03Å; L673-I769 HydrophobicContact CD1-CD1 3.84Å; L673-I769 HydrophobicContact CD2-CD1 3.44Å; L673-I769 VanDerWaalsContact CD2-CD1 3.44Å; L673-I769 HydrophobicContact CG-CD1 4.3Å
674E87.6Confident85.5Confident94 Ų9473 Ų7344%0.43939%0.387SS..EExtended strand (participates in β ladder)trans-141.7150.8-179.7-59.6-170.4163.100111.1F637 T638 N639F637-E674 CarbonylContact C-O 3.59Å; F637-E674 VanDerWaalsContact CA-O 3.32Å; F637-E674 WeakPolarHBondContact CA-O 3.07Å; T638-E674 PolarHBondContact N-O 2.9Å; T638-E674 VanDerWaalsContact OG1-C 3.28Å; T638-E674 WeakPolarHBondContact OG1-CB 3.47Å; T638-E674 PolarHBondContact OG1-O 2.81Å; N639-E674 HydrophobicContact CB-CB 4.07Å; N639-E674 HydrophobicContact CB-CG 4.31Å; N639-E674 PolarHBondContact N-O 2.85Å; N639-E674 VanDerWaalsContact N-O 3.15Å; N639-E674 PolarHBondContact O-N 2.98Å
675A89.5Confident85.6Confident19 Ų1974.4 Ų74.416%0.15738%0.381CS..EExtended strand (participates in β ladder)trans-153.9160.6-179.400000112.1V636 T638 V686 F688 V771V636-A675 CarbonylContact O-C 3.58Å; V636-A675 WeakPolarHBondContact O-CA 3.21Å; V636-A675 WeakPolarHBondContact O-CB 3.22Å; T638-A675 PolarHBondContact OG1-N 2.88Å; A675-V686 HydrophobicContact CB-CB 4.49Å; A675-V686 HydrophobicContact CB-CG1 4.29Å; A675-V686 HydrophobicContact CB-CG2 4.46Å; A675-F688 HydrophobicContact CB-CE1 3.86Å; A675-F688 HydrophobicContact CB-CZ 3.89Å; A675-V771 HydrophobicContact CB-CG1 4.25Å; A675-V771 HydrophobicContact CB-CG2 3.88Å
676K90.2Very high85.7Confident154 Ų15470.5 Ų70.567%0.6737%0.371SS*.EExtended strand (participates in β ladder)trans-137.6160.5176.9-78.4-173177.4-1730111.5P635 V636 T638P635-K676 CarbonylContact C-O 3.55Å; P635-K676 WeakPolarHBondContact CA-O 3.33Å; V636-K676 PolarHBondContact N-O 2.89Å; V636-K676 PolarHBondContact O-N 2.88Å; T638-K676 HydrophobicContact CG2-CB 4.07Å; T638-K676 HydrophobicContact CG2-CD 3.99Å; T638-K676 HydrophobicContact CG2-CG 3.79Å
677D92.8Very high85.8Confident27 Ų2768.8 Ų68.814%0.14437%0.365CS..  trans-155.8133.1-173.8-155.4-45.6000107.4P635 V686P635-D677 WeakPolarHBondContact CA-OD2 3.27Å; P635-D677 HydrophobicContact CB-CB 4.34Å; P635-D677 WeakPolarHBondContact CB-OD2 3.1Å; P635-D677 VanDerWaalsContact CD-OD2 3.3Å; P635-D677 WeakPolarHBondContact CD-OD2 3.49Å; D677-V686 HydrophobicContact CB-CG1 4.1Å
678P91.1Very high86Confident70 Ų7069.3 Ų69.346%0.45536%0.364SS..  trans-92.9-19.8-173.836-35000115.2E597 N633E597-P678 HydrophobicContact CG-CB 4.03Å; E597-P678 HydrophobicContact CG-CG 4.47Å; N633-P678 HydrophobicContact CB-CG 3.43Å; N633-P678 VanDerWaalsContact CB-CG 3.43Å; N633-P678 VanDerWaalsContact CG-CG 3.48Å
679D92.8Very high86.2Confident8 Ų866.2 Ų66.24%0.04335%0.354CS..SBendtrans-68.4158-169.7-61.10.8000112.8N631 D632 N633 N683 G684N631-D679 VanDerWaalsContact CA-OD2 3.3Å; N631-D679 WeakPolarHBondContact CA-OD2 3.35Å; D632-D679 PolarHBondContact N-OD2 3.47Å; D632-D679 VanDerWaalsContact N-OD2 3.13Å; N633-D679 VanDerWaalsContact CB-OD1 3.22Å; N633-D679 WeakPolarHBondContact CB-OD1 3.23Å; N633-D679 PolarHBondContact N-OD2 3.24Å; N633-D679 VanDerWaalsContact N-OD2 3.14Å; N633-D679 PolarHBondContact ND2-OD1 3.09Å; D679-N683 HydrophobicContact CB-CB 3.44Å; D679-N683 VanDerWaalsContact CB-CB 3.44Å; D679-G684 VanDerWaalsContact O-CA 3.25Å; D679-G684 WeakPolarHBondContact O-CA 3.48Å; D679-G684 PolarHBondContact O-N 3.17Å; D679-G684 VanDerWaalsContact O-N 3.15Å
680Q89Confident86.9Confident117 Ų11768.6 Ų68.655%0.54737%0.367SS..THydrogen-bonded Turntrans-78.7136.9-172.3-163.1169.2-2600114.2D629 D682 N683D629-Q680 HydrophobicContact CB-CB 4.22Å; D629-Q680 VanDerWaalsContact CG-CB 3.48Å; D629-Q680 WeakPolarHBondContact OD1-CA 3.34Å; D629-Q680 WeakPolarHBondContact OD1-CB 3.27Å; D629-Q680 PolarHBondContact OD1-N 3.36Å; Q680-D682 PolarHBondContact O-N 3.03Å; Q680-N683 WeakPolarHBondContact O-CB 3.09Å; Q680-N683 PolarHBondContact O-N 2.56Å
681G88.7Confident88.4Confident63 Ų6367.7 Ų67.765%0.64935%0.353SS*.THydrogen-bonded Turntrans80.2-117.9164.900000114.5
682D89.9Confident89.3Confident82 Ų8264.7 Ų64.744%0.43934%0.343SS..THydrogen-bonded Turntrans-84.3-14.3175-90.3-47.7000112.4Q680 R685 R774 G775Q680-D682 PolarHBondContact O-N 3.03Å; D682-R685 WeakPolarHBondContact O-CB 3.27Å; D682-R685 WeakPolarHBondContact OD1-CD 3.46Å; D682-R685 IonicContact OD1-CZ 3.22Å; D682-R685 IonicContact OD1-NE 3.39Å; D682-R685 IonicContact OD1-NH1 2.85Å; D682-R685 PolarHBondContact OD1-NH1 2.92Å; D682-R774 HydrophobicContact CB-CB 4.37Å; D682-R774 CarbonylContact O-C 3.53Å; D682-R774 WeakPolarHBondContact O-CA 3.33Å; D682-R774 WeakPolarHBondContact O-CB 3.49Å; D682-R774 PolarHBondContact O-N 2.88Å; D682-G775 PolarHBondContact O-N 3.3Å
683N89.1Confident89.7Confident30 Ų3058.9 Ų58.916%0.1632%0.323CS..THydrogen-bonded Turntrans-62.7-54171.6-62.9-11000109.4D629 N631 D679 Q680 R685 D773 G775D629-N683 PolarHBondContact OD2-ND2 2.77Å; N631-N683 HydrophobicContact CB-CB 4.14Å; N631-N683 WeakPolarHBondContact OD1-CA 3.25Å; N631-N683 WeakPolarHBondContact OD1-CB 3.04Å; N631-N683 PolarHBondContact OD1-OD1 2.97Å; N631-N683 VanDerWaalsContact OD1-OD1 3.13Å; D679-N683 HydrophobicContact CB-CB 3.44Å; D679-N683 VanDerWaalsContact CB-CB 3.44Å; Q680-N683 WeakPolarHBondContact O-CB 3.09Å; Q680-N683 PolarHBondContact O-N 2.56Å; N683-R685 VanDerWaalsContact C-N 3.26Å; N683-R685 PolarHBondContact O-N 2.75Å; N683-D773 WeakPolarHBondContact O-CB 3.28Å; N683-G775 WeakPolarHBondContact OD1-CA 3.22Å
684G87.1Confident89.8Confident27 Ų2760.1 Ų60.128%0.27833%0.327SS..THydrogen-bonded Turntrans-71.735.6178.400000118.5D679D679-G684 VanDerWaalsContact O-CA 3.25Å; D679-G684 WeakPolarHBondContact O-CA 3.48Å; D679-G684 PolarHBondContact O-N 3.17Å; D679-G684 VanDerWaalsContact O-N 3.15Å
685R90.2Very high89.9Confident118 Ų11856.1 Ų56.145%0.44531%0.31SS..  trans-130.894.2-160-160.6173.2-178-167.610.2118D682 N683 D773 R774D682-R685 WeakPolarHBondContact O-CB 3.27Å; D682-R685 WeakPolarHBondContact OD1-CD 3.46Å; D682-R685 IonicContact OD1-CZ 3.22Å; D682-R685 IonicContact OD1-NE 3.39Å; D682-R685 IonicContact OD1-NH1 2.85Å; D682-R685 PolarHBondContact OD1-NH1 2.92Å; N683-R685 VanDerWaalsContact C-N 3.26Å; N683-R685 PolarHBondContact O-N 2.75Å; R685-D773 CarbonylContact O-C 3.58Å; R685-D773 VanDerWaalsContact O-C 3.26Å; R685-D773 WeakPolarHBondContact O-CA 2.98Å; R685-R774 HydrophobicContact CB-CB 4.38Å; R685-R774 HydrophobicContact CB-CG 4.47Å; R685-R774 WeakPolarHBondContact O-CG 3.1Å; R685-R774 PolarHBondContact O-N 2.96Å
686V90.1Very high89.7Confident49 Ų4955.8 Ų55.830%0.29731%0.305SS..  trans-77.8155.6-163.6-49.30000119.8P635 A675 D677 V771 R772P635-V686 HydrophobicContact CB-CG1 3.7Å; A675-V686 HydrophobicContact CB-CB 4.49Å; A675-V686 HydrophobicContact CB-CG1 4.29Å; A675-V686 HydrophobicContact CB-CG2 4.46Å; D677-V686 HydrophobicContact CB-CG1 4.1Å; V686-V771 HydrophobicContact CB-CG2 3.86Å; V686-V771 HydrophobicContact CG1-CG2 4.46Å; V686-R772 CarbonylContact C-O 3.59Å; V686-R772 VanDerWaalsContact CA-O 3.25Å; V686-R772 WeakPolarHBondContact CA-O 3.3Å
687Q90.6Very high89.3Confident87 Ų8749.6 Ų49.641%0.40728%0.28SS..EExtended strand (participates in β ladder)trans-150.9133.3172.2-179-177.61500113.4V771 R772Q687-V771 CarbonylContact O-C 3.53Å; Q687-V771 VanDerWaalsContact O-CA 3.26Å; Q687-V771 WeakPolarHBondContact O-CA 3.48Å; Q687-V771 WeakPolarHBondContact O-CG2 3.3Å; Q687-R772 HydrophobicContact CB-CG 4.27Å; Q687-R772 PolarHBondContact N-O 3.1Å; Q687-R772 PolarHBondContact O-N 3.49Å; Q687-R772 VanDerWaalsContact OE1-NE 3.11Å
688F91.5Very high87.9Confident57 Ų5754.3 Ų54.325%0.2530%0.299CS..EExtended strand (participates in β ladder)trans-93.7160.6-178.6-58.6-71.1000116.6F637 L673 A675 G770 V771F637-F688 HydrophobicContact CD1-CD1 4.41Å; F637-F688 AromaticContact CD1-CE1 3.92Å; F637-F688 HydrophobicContact CD1-CE1 3.92Å; F637-F688 AromaticContact CE1-CD1 3.71Å; F637-F688 HydrophobicContact CE1-CD1 3.71Å; F637-F688 AromaticContact CE1-CE1 3.68Å; F637-F688 HydrophobicContact CE1-CE1 3.68Å; F637-F688 HydrophobicContact CZ-CD1 4.33Å; L673-F688 HydrophobicContact CB-CD1 4.15Å; L673-F688 HydrophobicContact CB-CE1 4.06Å; L673-F688 HydrophobicContact CB-CE2 4.48Å; L673-F688 HydrophobicContact CB-CG 4.42Å; L673-F688 HydrophobicContact CB-CZ 4.24Å; L673-F688 HydrophobicContact CD1-CD1 4.48Å; A675-F688 HydrophobicContact CB-CE1 3.86Å; A675-F688 HydrophobicContact CB-CZ 3.89Å; F688-G770 CarbonylContact C-O 3.59Å; F688-G770 WeakPolarHBondContact CA-O 3.25Å; F688-V771 HydrophobicContact CD1-CB 3.8Å; F688-V771 HydrophobicContact CD1-CG2 3.73Å; F688-V771 HydrophobicContact CE1-CB 3.95Å; F688-V771 HydrophobicContact CE1-CG2 3.67Å; F688-V771 HydrophobicContact CG-CG2 4.48Å; F688-V771 HydrophobicContact CZ-CG2 4.38Å
689S90.4Very high86Confident48 Ų4854.5 Ų54.534%0.33630%0.302SS..EExtended strand (participates in β ladder)trans-157.8154.617860.50000114.2I769 G770S689-I769 WeakPolarHBondContact O-CA 3.2Å; S689-G770 PolarHBondContact N-O 2.64Å; S689-G770 PolarHBondContact O-N 2.83Å; S689-G770 PolarHBondContact OG-O 3.13Å
690L90.1Very high83.6Confident58 Ų5859.8 Ų59.830%0.30434%0.34SS..EExtended strand (participates in β ladder)trans-100.7126167.1-177.560.9000108.5I745 L767 I769L690-I745 HydrophobicContact CB-CB 4.42Å; L690-I745 HydrophobicContact CB-CD1 3.66Å; L690-I745 HydrophobicContact CB-CG1 3.9Å; L690-I745 HydrophobicContact CD1-CD1 4.16Å; L690-I745 HydrophobicContact CD1-CG1 4.46Å; L690-I745 HydrophobicContact CG-CD1 4.44Å; L690-L767 HydrophobicContact CD1-CB 4.41Å; L690-I769 HydrophobicContact CD1-CG2 3.93Å
691L89.1Confident81.1Confident87 Ų8765.9 Ų65.946%0.45536%0.358SS..EExtended strand (participates in β ladder)trans-108.2-35.2-169-60.2177.6000113.8K768 T782L691-K768 HydrophobicContact CB-CB 4.28Å; L691-K768 HydrophobicContact CB-CD 4.15Å; L691-K768 HydrophobicContact CB-CG 4.09Å; L691-K768 WeakPolarHBondContact CB-O 3.47Å; L691-K768 HydrophobicContact CD1-CD 4.2Å; L691-K768 HydrophobicContact CD1-CG 4.22Å; L691-K768 PolarHBondContact N-O 3.17Å; L691-T782 HydrophobicContact CD1-CG2 3.59Å
692A87.2Confident78.2Confident22 Ų2273.1 Ų73.118%0.18237%0.366CS..EExtended strand (participates in β ladder)trans-164.1156.7176.700000112.5Y694 K768A692-Y694 HydrophobicContact CB-CD2 4.5Å; A692-Y694 HydrophobicContact CB-CE1 4.21Å; A692-Y694 HydrophobicContact CB-CE2 3.62Å; A692-Y694 VanDerWaalsContact CB-CZ 3.44Å; A692-Y694 VanDerWaalsContact CB-OH 3.31Å; A692-Y694 WeakPolarHBondContact CB-OH 3.47Å; A692-K768 HydrophobicContact CB-CB 4.21Å; A692-K768 PolarHBondContact N-O 2.94Å; A692-K768 PolarHBondContact O-N 2.97Å
693T90.8Very high75.3Confident13 Ų1376.7 Ų76.78%0.0839%0.385CS..EExtended strand (participates in β ladder)trans-119.7138.4166-60.70000109.2V738 F743 Y765 L767T693-V738 HydrophobicContact CG2-CB 4.1Å; T693-V738 HydrophobicContact CG2-CG2 4.06Å; T693-V738 PolarHBondContact O-N 2.82Å; T693-F743 HydrophobicContact CG2-CD2 3.85Å; T693-F743 HydrophobicContact CG2-CE2 3.99Å; T693-Y765 HydrophobicContact CG2-CD1 4.34Å; T693-L767 HydrophobicContact CG2-CD2 4Å
694Y89.2Confident72.5Confident33 Ų3383.2 Ų83.213%0.12942%0.415CS..EExtended strand (participates in β ladder)trans-127.7143.3177.2-50-82.9000110.5A692 R735 H736 V737 Y765 I766 K768A692-Y694 HydrophobicContact CB-CD2 4.5Å; A692-Y694 HydrophobicContact CB-CE1 4.21Å; A692-Y694 HydrophobicContact CB-CE2 3.62Å; A692-Y694 VanDerWaalsContact CB-CZ 3.44Å; A692-Y694 VanDerWaalsContact CB-OH 3.31Å; A692-Y694 WeakPolarHBondContact CB-OH 3.47Å; Y694-R735 HydrophobicContact CD1-CG 4.41Å; Y694-R735 VanDerWaalsContact CD2-NH2 3.3Å; Y694-R735 VanDerWaalsContact CE1-NH2 3.33Å; Y694-R735 HydrophobicContact CG-CG 4.43Å; Y694-H736 CarbonylContact C-O 3.33Å; Y694-H736 VanDerWaalsContact CA-O 3.23Å; Y694-H736 WeakPolarHBondContact CA-O 3.42Å; Y694-V737 HydrophobicContact CD1-CG2 4.08Å; Y694-V737 HydrophobicContact CE1-CG2 4.01Å; Y694-Y765 CarbonylContact O-C 3.57Å; Y694-Y765 VanDerWaalsContact O-CA 3.22Å; Y694-Y765 WeakPolarHBondContact O-CA 3.33Å; Y694-I766 HydrophobicContact CD2-CB 4.37Å; Y694-I766 HydrophobicContact CD2-CG2 4.32Å; Y694-I766 WeakPolarHBondContact CD2-O 3.24Å; Y694-I766 PolarHBondContact N-O 3Å; Y694-I766 PolarHBondContact O-N 2.79Å; Y694-K768 HydrophobicContact CE2-CB 4.17Å
695A89.4Confident69.7Low9 Ų990.2 Ų90.27%0.07444%0.438CS..EExtended strand (participates in β ladder)trans-106.7143.5170.600000109.6R735 H736 V738 V762 Y765A695-R735 CarbonylContact O-C 3.49Å; A695-R735 WeakPolarHBondContact O-CA 3.25Å; A695-H736 PolarHBondContact N-O 3.38Å; A695-H736 PolarHBondContact O-N 3.35Å; A695-V738 HydrophobicContact CB-CG2 3.79Å; A695-V762 HydrophobicContact CB-CG1 3.7Å; A695-V762 HydrophobicContact CB-CG2 4.22Å; A695-Y765 HydrophobicContact CB-CD1 4.07Å; A695-Y765 HydrophobicContact CB-CE1 3.91Å
696L85.3Confident66.7Low12 Ų1292.2 Ų92.26%0.06346%0.455CS..EExtended strand (participates in β ladder)trans-115124.2174.9-71.2156.2000108.8M733 T734 R735 P763 V764 I766L696-M733 HydrophobicContact CB-CB 4.41Å; L696-M733 HydrophobicContact CB-SD 3.9Å; L696-M733 HydrophobicContact CD2-CB 4.41Å; L696-T734 WeakPolarHBondContact CA-O 3.36Å; L696-R735 HydrophobicContact CD2-CB 3.74Å; L696-R735 HydrophobicContact CD2-CG 4.15Å; L696-P763 VanDerWaalsContact O-CD 3.27Å; L696-P763 WeakPolarHBondContact O-CD 3.42Å; L696-V764 HydrophobicContact CB-CB 4.13Å; L696-V764 HydrophobicContact CD1-CB 3.84Å; L696-V764 HydrophobicContact CD1-CG1 3.82Å; L696-V764 PolarHBondContact N-O 2.99Å; L696-I766 HydrophobicContact CD1-CD1 3.76Å; L696-I766 HydrophobicContact CD1-CG1 4Å
697T80.2Confident63.7Low25 Ų2592.8 Ų92.815%0.15347%0.472CS..EExtended strand (participates in β ladder)trans-136.2145.4-171.968.20000111.3S699 M733 T734 H736 T761 V762T697-S699 PolarHBondContact O-N 3.14Å; T697-M733 CarbonylContact O-C 3.56Å; T697-M733 VanDerWaalsContact O-CA 3.26Å; T697-M733 WeakPolarHBondContact O-CA 3.2Å; T697-T734 PolarHBondContact N-O 3.07Å; T697-T734 PolarHBondContact O-N 3.23Å; T697-T734 PolarHBondContact O-OG1 3.15Å; T697-T734 VanDerWaalsContact O-OG1 3.11Å; T697-T734 PolarHBondContact OG1-OG1 2.83Å; T697-H736 PolarHBondContact OG1-CD2 2.79Å; T697-H736 PolarHBondContact OG1-NE2 2.83Å; T697-T761 WeakPolarHBondContact CG2-O 3.48Å; T697-V762 HydrophobicContact CG2-CG1 4.5Å; T697-V762 HydrophobicContact CG2-CG2 3.95Å
698K65Low60.8Low125 Ų12594.6 Ų94.654%0.54349%0.494SS..EExtended strand (participates in β ladder)trans-63.6133.9179.4-69.9173.6-178.2165.40111S700K698-S700 PolarHBondContact O-N 3.41Å; K698-S700 VanDerWaalsContact O-N 3.13Å
699S51.4Low57.8Low74 Ų7497.2 Ų97.252%0.51752%0.519SS..  trans-72.4100-172.4-174.40000113.5T697 R701 G732T697-S699 PolarHBondContact O-N 3.14Å; S699-R701 PolarHBondContact O-N 3.13Å; S699-G732 VanDerWaalsContact CB-O 3.26Å; S699-G732 WeakPolarHBondContact CB-O 3.09Å; S699-G732 PolarHBondContact N-O 3.34Å
700S40.9Very low54.9Low119 Ų119100.3 Ų100.383%0.83254%0.538SS*.  trans-89.993.6-179.1-168.20000113.3K698K698-S700 PolarHBondContact O-N 3.41Å; K698-S700 VanDerWaalsContact O-N 3.13Å
701R37.4Very low52Low245 Ų245105.5 Ų105.593%0.92557%0.566SS**  trans-144.580164.3-78.7-161.2174.2-165.5-0.6112.9S699S699-R701 PolarHBondContact O-N 3.13Å
702R28.2Very low49Very low215 Ų215110.3 Ų110.381%0.81159%0.589SS**  trans-98.475.6172.4-161.5-176.9-153.5169.610.5111E827R702-E827 IonicContact NH2-OE2 2.91Å; R702-E827 PolarHBondContact NH2-OE2 3.39Å
703N29Very low46.2Very low157 Ų157117.4 Ų117.484%0.8462%0.623SS**  trans-165.8149.5163.4-116-35.2000115.3
704Q30.2Very low43.1Very low168 Ų168123.5 Ų123.579%0.78566%0.66SS**  trans78.898.1168.8-58.7-165.1-14.900121.3
705F27.1Very low40.1Very low173 Ų173127 Ų12776%0.75969%0.689SS**  74.596126.9-75.9-80.5000123.7
706I28Very low37.1Very low160 Ų160136 Ų13682%0.82173%0.727SS**  48.9121.2120.9-57.2-178.4000119.6
707G27.3Very low34.4Very low62 Ų62144.3 Ų144.364%0.63977%0.766SS**  trans159.4103.8147.800000115.7
708S29.4Very low31.9Very low125 Ų125151.7 Ų151.787%0.87480%0.798SS**  trans32.7133.5155.857.20000120.5
709S29Very low30Very low112 Ų112154.5 Ų154.578%0.78381%0.811SS**  cis-159.114722.8-168.70000111.3
710P29.1Very low28.8Very low113 Ų113157.7 Ų157.773%0.73482%0.82SS**  trans-90122.7178.933.8-31.7000113.2
711N29.6Very low28.1Very low167 Ų167158.9 Ų158.989%0.89382%0.817SS**  trans-168.7145.2153.4-102.3-29000109.7
712M25.9Very low27.6Very low187 Ų187158.6 Ų158.692%0.92182%0.816SS**  trans100.459.6-172.6-62.3-70-172.400116.2
713L27.2Very low27.5Very low172 Ų172154.7 Ų154.790%0.90182%0.818SS**  trans-146.485.3159-102.1-179.2000111.7
714T26.4Very low27.3Very low141 Ų141149.7 Ų149.787%0.86580%0.804SS**  trans-159104.8153.229.40000109.6
715S26.2Very low27.1Very low105 Ų105146.6 Ų146.673%0.73480%0.801SS**  trans176.6143.3135.641.40000111.9
716F26.6Very low27.2Very low198 Ų198143.8 Ų143.887%0.86879%0.794SS**  trans5686168.5-61.3-66.6000119.1
717E28.9Very low27.2Very low188 Ų188140.8 Ų140.888%0.87978%0.779SS**  -49.3128.9126.5-59165.1116.100110.3
718H27.3Very low27.2Very low180 Ų180145.4 Ų145.483%0.83379%0.789SS**  trans-150.7108.9133.8-150.7-51.8000108.6
719F24.2Very low27.3Very low184 Ų184144 Ų14481%0.80778%0.779SS**  trans-86.4175.4172.5-154-108.4000109.6
720I27.7Very low27.8Very low140 Ų140142.1 Ų142.172%0.71876%0.758SS**  trans80.1140.6174-48.5174.9000115
721D25Very low28.3Very low144 Ų144141.3 Ų141.377%0.7776%0.761SS**  trans60.276.6173.2-75.16.5000119.4
722R26.5Very low29.1Very low240 Ų240135.5 Ų135.591%0.90674%0.74SS**  -178150108-94.9154.7-171.6-153.10.3113.3
723P26.4Very low30.5Very low132 Ų132129.2 Ų129.286%0.85771%0.709SS**  trans-83133.4170.633.3-31.9000111.2
724G24.3Very low32.5Very low52 Ų52123.1 Ų123.154%0.53668%0.679SS.*  trans120.391.6169.200000115.1
725S26.5Very low34.8Very low103 Ų103122.6 Ų122.672%0.7266%0.661SS**  trans-154.8107.4149.852.30000111.3
726D28.7Very low37.3Very low114 Ų114123.1 Ų123.161%0.6165%0.652SS**  trans51.5104.7146.9-50.1-39.8000120.5Q649 N728Q649-D726 PolarHBondContact NE2-OD1 2.72Å; D726-N728 PolarHBondContact O-N 3.43Å
727L28Very low40Very low98 Ų98118.2 Ų118.251%0.51364%0.638SS.*THydrogen-bonded Turntrans-6577.2152.3-71.590.7000110.4N652N652-L727 HydrophobicContact CB-CD1 3.89Å
728N28.5Very low42.6Very low158 Ų158110.9 Ų110.985%0.84561%0.606SS**THydrogen-bonded Turntrans-143.716.3165.2-98-36.4000114.5D726D726-N728 PolarHBondContact O-N 3.43Å
729S30.2Very low45.2Very low96 Ų96109.8 Ų109.867%0.67161%0.606SS**  trans-148.1106.3146.6640000112.2A731S729-A731 PolarHBondContact O-N 3.39Å
730E41Very low47.9Very low73 Ų73108 Ų10834%0.34160%0.601SS.*  trans-73.579.1149.6-79176.613800106.4G732 M733 R786E730-G732 VanDerWaalsContact C-N 3.34Å; E730-G732 PolarHBondContact O-N 3.13Å; E730-M733 HydrophobicContact CB-CB 4.14Å; E730-M733 HydrophobicContact CB-CE 4.18Å; E730-M733 HydrophobicContact CB-CG 4.1Å; E730-M733 HydrophobicContact CB-SD 4.29Å; E730-M733 HydrophobicContact CG-CE 4.15Å; E730-M733 PolarHBondContact O-N 2.73Å; E730-R786 IonicContact OE1-CZ 3.07Å; E730-R786 IonicContact OE1-NH1 3.34Å; E730-R786 PolarHBondContact OE1-NH1 2.72Å; E730-R786 IonicContact OE1-NH2 3.41Å; E730-R786 PolarHBondContact OE1-NH2 3.48Å; E730-R786 IonicContact OE2-NH1 3.05Å; E730-R786 PolarHBondContact OE2-NH1 2.94Å; E730-R786 VanDerWaalsContact OE2-NH1 3.13Å
731A39.5Very low50.7Low95 Ų95106 Ų10679%0.78560%0.596SS**THydrogen-bonded Turntrans-64.685.6-164.600000112.2S729S729-A731 PolarHBondContact O-N 3.39Å
732G46.4Very low53.8Low45 Ų4599.8 Ų99.846%0.46456%0.563SS.*THydrogen-bonded Turntrans132-6.1-177.400000115.1S699 E730S699-G732 VanDerWaalsContact CB-O 3.26Å; S699-G732 WeakPolarHBondContact CB-O 3.09Å; S699-G732 PolarHBondContact N-O 3.34Å; E730-G732 VanDerWaalsContact C-N 3.34Å; E730-G732 PolarHBondContact O-N 3.13Å
733M55.1Low57Low56 Ų5688.7 Ų88.728%0.27652%0.521SS..EExtended strand (participates in β ladder)trans-88.4126.6177.1-64.8-161.4-146.500113.2L696 T697 E730 P763 V764L696-M733 HydrophobicContact CB-CB 4.41Å; L696-M733 HydrophobicContact CB-SD 3.9Å; L696-M733 HydrophobicContact CD2-CB 4.41Å; T697-M733 CarbonylContact O-C 3.56Å; T697-M733 VanDerWaalsContact O-CA 3.26Å; T697-M733 WeakPolarHBondContact O-CA 3.2Å; E730-M733 HydrophobicContact CB-CB 4.14Å; E730-M733 HydrophobicContact CB-CE 4.18Å; E730-M733 HydrophobicContact CB-CG 4.1Å; E730-M733 HydrophobicContact CB-SD 4.29Å; E730-M733 HydrophobicContact CG-CE 4.15Å; E730-M733 PolarHBondContact O-N 2.73Å; M733-P763 HydrophobicContact CE-CG 4.01Å; M733-P763 HydrophobicContact SD-CG 3.87Å; M733-V764 HydrophobicContact CE-CG2 4.49Å; M733-V764 HydrophobicContact SD-CG2 4.49Å
734T68.7Low60Low43 Ų4387.7 Ų87.726%0.26450%0.501SS..EExtended strand (participates in β ladder)trans-87.8132167.845.70000111.3L696 T697 H736L696-T734 WeakPolarHBondContact CA-O 3.36Å; T697-T734 PolarHBondContact N-O 3.07Å; T697-T734 PolarHBondContact O-N 3.23Å; T697-T734 PolarHBondContact O-OG1 3.15Å; T697-T734 VanDerWaalsContact O-OG1 3.11Å; T697-T734 PolarHBondContact OG1-OG1 2.83Å; T734-H736 WeakPolarHBondContact CB-NE2 3.18Å; T734-H736 PolarHBondContact O-CD2 3.18Å; T734-H736 PolarHBondContact OG1-NE2 3.11Å
735R75Confident63.1Low130 Ų13087 Ų8749%0.49149%0.485SS..EExtended strand (participates in β ladder)trans-93.7115.3177.6-177.7174.2171.1-112.614.2110.8Y694 A695 L696Y694-R735 HydrophobicContact CD1-CG 4.41Å; Y694-R735 VanDerWaalsContact CD2-NH2 3.3Å; Y694-R735 VanDerWaalsContact CE1-NH2 3.33Å; Y694-R735 HydrophobicContact CG-CG 4.43Å; A695-R735 CarbonylContact O-C 3.49Å; A695-R735 WeakPolarHBondContact O-CA 3.25Å; L696-R735 HydrophobicContact CD2-CB 3.74Å; L696-R735 HydrophobicContact CD2-CG 4.15Å
736H79.2Confident66Low116 Ų11684 Ų8454%0.53746%0.461SS..EExtended strand (participates in β ladder)trans-106.5146.6177.1-60.5-80000110.6Y694 A695 T697 T734Y694-H736 CarbonylContact C-O 3.33Å; Y694-H736 VanDerWaalsContact CA-O 3.23Å; Y694-H736 WeakPolarHBondContact CA-O 3.42Å; A695-H736 PolarHBondContact N-O 3.38Å; A695-H736 PolarHBondContact O-N 3.35Å; T697-H736 PolarHBondContact OG1-CD2 2.79Å; T697-H736 PolarHBondContact OG1-NE2 2.83Å; T734-H736 WeakPolarHBondContact CB-NE2 3.18Å; T734-H736 PolarHBondContact O-CD2 3.18Å; T734-H736 PolarHBondContact OG1-NE2 3.11Å
737V82.5Confident68.5Low96 Ų9685 Ų8558%0.58248%0.478SS*.EExtended strand (participates in β ladder)trans-78.9139.7170.2-173.90000108.2Y694Y694-V737 HydrophobicContact CD1-CG2 4.08Å; Y694-V737 HydrophobicContact CE1-CG2 4.01Å
738V84.9Confident71Confident33 Ų3384.4 Ų84.420%0.248%0.475CS..  trans-102.8107.5175.5-168.10000109.4T693 A695 Q740 I742 Y765T693-V738 HydrophobicContact CG2-CB 4.1Å; T693-V738 HydrophobicContact CG2-CG2 4.06Å; T693-V738 PolarHBondContact O-N 2.82Å; A695-V738 HydrophobicContact CB-CG2 3.79Å; V738-Q740 VanDerWaalsContact C-N 3.28Å; V738-Q740 HydrophobicContact CG1-CB 4.48Å; V738-Q740 WeakPolarHBondContact CG1-O 3.21Å; V738-Q740 PolarHBondContact O-N 2.79Å; V738-I742 HydrophobicContact CG1-CD1 3.69Å; V738-I742 HydrophobicContact CG1-CG1 3.99Å; V738-I742 HydrophobicContact CG2-CD1 4.5Å; V738-Y765 HydrophobicContact CG2-CE1 4.46Å
739D80.2Confident73.5Confident157 Ų15776.9 Ų76.984%0.8444%0.435SS*.  trans-73-20.8178.5-62.2-33.6000112.9
740Q81.9Confident76.2Confident147 Ų14773.4 Ų73.469%0.68741%0.41SS*.SBendtrans-88139.8176-63.8-1709.300111.4V738 I742V738-Q740 VanDerWaalsContact C-N 3.28Å; V738-Q740 HydrophobicContact CG1-CB 4.48Å; V738-Q740 WeakPolarHBondContact CG1-O 3.21Å; V738-Q740 PolarHBondContact O-N 2.79Å; Q740-I742 PolarHBondContact O-N 3.38Å
741P85.9Confident78.5Confident97 Ų9770.1 Ų70.163%0.6339%0.394SS*.  trans-72.6100.1178.930-34.4000110.7L754P741-L754 HydrophobicContact CB-CD1 3.92Å; P741-L754 WeakPolarHBondContact O-CB 3.04Å; P741-L754 WeakPolarHBondContact O-CD1 3.44Å
742I91Very high80.9Confident15 Ų1566.5 Ų66.58%0.07736%0.361CS..  trans-84.4-26.9170.7-63.4-175000111.4V738 Q740 T753 L754 V755 L757 Y765V738-I742 HydrophobicContact CG1-CD1 3.69Å; V738-I742 HydrophobicContact CG1-CG1 3.99Å; V738-I742 HydrophobicContact CG2-CD1 4.5Å; Q740-I742 PolarHBondContact O-N 3.38Å; I742-T753 CarbonylContact O-C 3.59Å; I742-T753 WeakPolarHBondContact O-CA 3.42Å; I742-L754 WeakPolarHBondContact O-CB 3.03Å; I742-L754 PolarHBondContact O-N 2.72Å; I742-V755 HydrophobicContact CB-CG2 4.19Å; I742-V755 HydrophobicContact CD1-CG2 4.29Å; I742-V755 HydrophobicContact CG1-CG2 3.85Å; I742-V755 HydrophobicContact CG2-CG2 3.76Å; I742-L757 HydrophobicContact CG2-CD2 4.26Å; I742-Y765 HydrophobicContact CD1-CD1 4.26Å; I742-Y765 HydrophobicContact CD1-CE1 3.47Å; I742-Y765 VanDerWaalsContact CD1-CE1 3.47Å
743F92.4Very high83.1Confident6 Ų664.4 Ų64.43%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-135.3159.2-177.5-53.4-88.7000112.1L669 T693 I751 E752 T753 Y765 L767 V787L669-F743 HydrophobicContact CD1-CD1 4.05Å; L669-F743 HydrophobicContact CD1-CE1 3.91Å; T693-F743 HydrophobicContact CG2-CD2 3.85Å; T693-F743 HydrophobicContact CG2-CE2 3.99Å; F743-I751 HydrophobicContact CB-CG2 4.47Å; F743-E752 VanDerWaalsContact CA-O 3.28Å; F743-E752 WeakPolarHBondContact CA-O 3.42Å; F743-T753 HydrophobicContact CD1-CG2 4.29Å; F743-T753 HydrophobicContact CE1-CG2 3.97Å; F743-Y765 HydrophobicContact CE2-CD1 4.34Å; F743-Y765 HydrophobicContact CE2-CG 4.19Å; F743-Y765 HydrophobicContact CZ-CG 4.38Å; F743-L767 HydrophobicContact CB-CD1 4.34Å; F743-L767 HydrophobicContact CB-CD2 4.37Å; F743-L767 HydrophobicContact CD1-CD1 4.23Å; F743-L767 HydrophobicContact CD1-CD2 4.46Å; F743-L767 HydrophobicContact CD2-CD1 4.35Å; F743-L767 HydrophobicContact CD2-CD2 3.23Å; F743-L767 HydrophobicContact CD2-CG 4.42Å; F743-L767 HydrophobicContact CE2-CD2 3.45Å; F743-L767 VanDerWaalsContact CE2-CD2 3.45Å; F743-L767 HydrophobicContact CG-CD1 4.06Å; F743-L767 HydrophobicContact CG-CD2 3.79Å; F743-L767 HydrophobicContact CZ-CD2 4.17Å; F743-V787 HydrophobicContact CE1-CG2 4.33Å; F743-V787 HydrophobicContact CZ-CB 4.49Å; F743-V787 HydrophobicContact CZ-CG1 4.36Å; F743-V787 HydrophobicContact CZ-CG2 4.21Å
744R90.3Very high84.8Confident112 Ų11263.5 Ų63.542%0.42334%0.336SS..EExtended strand (participates in β ladder)trans-137.1161171.968178-175-1700.3112.6I751 E752 L754R744-I751 WeakPolarHBondContact O-CA 3.25Å; R744-E752 HydrophobicContact CG-CB 4.34Å; R744-E752 IonicContact CZ-OE2 3.18Å; R744-E752 PolarHBondContact N-O 3.46Å; R744-E752 IonicContact NE-OE2 2.78Å; R744-E752 PolarHBondContact NE-OE2 2.92Å; R744-E752 IonicContact NH2-OE2 3.51Å; R744-E752 PolarHBondContact NH2-OE2 2.93Å; R744-E752 PolarHBondContact O-N 2.62Å; R744-L754 HydrophobicContact CB-CD1 4.48Å
745I90.3Very high85.8Confident38 Ų3863.4 Ų63.420%0.19534%0.335CS..EExtended strand (participates in β ladder)trans-114.5134.6168.2-64.8180000109.7L673 L690 V750 I751 I769L673-I745 HydrophobicContact CD1-CD1 3.92Å; L673-I745 HydrophobicContact CD1-CG2 4.38Å; L690-I745 HydrophobicContact CB-CB 4.42Å; L690-I745 HydrophobicContact CB-CD1 3.66Å; L690-I745 HydrophobicContact CB-CG1 3.9Å; L690-I745 HydrophobicContact CD1-CD1 4.16Å; L690-I745 HydrophobicContact CD1-CG1 4.46Å; L690-I745 HydrophobicContact CG-CD1 4.44Å; I745-V750 WeakPolarHBondContact CA-O 3.41Å; I745-I751 HydrophobicContact CG1-CG1 4.26Å; I745-I769 HydrophobicContact CD1-CB 4.25Å; I745-I769 HydrophobicContact CD1-CG2 3.69Å
746T86Confident86.4Confident38 Ų3862.1 Ų62.123%0.23333%0.334CS..  trans-86.9164175.861.10000112.5N748 G749 V750T746-N748 VanDerWaalsContact CB-OD1 3.28Å; T746-N748 WeakPolarHBondContact CB-OD1 3.3Å; T746-N748 PolarHBondContact O-N 2.79Å; T746-N748 PolarHBondContact OG1-OD1 3.03Å; T746-G749 WeakPolarHBondContact O-CA 3.21Å; T746-G749 PolarHBondContact O-N 3.42Å; T746-G749 PolarHBondContact OG1-N 3.41Å; T746-V750 PolarHBondContact N-O 2.88Å; T746-V750 WeakPolarHBondContact OG1-CB 3.24Å; T746-V750 PolarHBondContact OG1-N 3.41Å; T746-V750 PolarHBondContact OG1-O 2.77Å
747S81.2Confident87Confident136 Ų13657 Ų5795%0.95131%0.311SS*.THydrogen-bonded Turntrans-65-20.6-179.654.60000114.8
748N80.7Confident87.3Confident85 Ų8555.7 Ų55.746%0.45530%0.301SS..THydrogen-bonded Turntrans-89.3-6169.763.3-31.6000113.6R672 T746R672-N748 WeakPolarHBondContact CG-O 3.41Å; R672-N748 PolarHBondContact NE-O 2.97Å; T746-N748 VanDerWaalsContact CB-OD1 3.28Å; T746-N748 WeakPolarHBondContact CB-OD1 3.3Å; T746-N748 PolarHBondContact O-N 2.79Å; T746-N748 PolarHBondContact OG1-OD1 3.03Å
749G80.6Confident87.5Confident1 Ų155.1 Ų55.11%0.0130%0.295CS..  trans94.435.917300000116.1R672 L673 T746R672-G749 CarbonylContact C-O 3.47Å; R672-G749 WeakPolarHBondContact CA-O 3.13Å; L673-G749 WeakPolarHBondContact CG-O 3.33Å; L673-G749 PolarHBondContact N-O 3.03Å; T746-G749 WeakPolarHBondContact O-CA 3.21Å; T746-G749 PolarHBondContact O-N 3.42Å; T746-G749 PolarHBondContact OG1-N 3.41Å
750V87.5Confident87.8Confident23 Ų2351.4 Ų51.414%0.13927%0.272CS..EExtended strand (participates in β ladder)trans-107.2149.7177.7-177.40000110.5I745 T746I745-V750 WeakPolarHBondContact CA-O 3.41Å; T746-V750 PolarHBondContact N-O 2.88Å; T746-V750 WeakPolarHBondContact OG1-CB 3.24Å; T746-V750 PolarHBondContact OG1-N 3.41Å; T746-V750 PolarHBondContact OG1-O 2.77Å
751I88.9Confident88Confident4 Ų448.8 Ų48.82%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-112.3136.1-176.1-45.5-176.6000111.3L669 F743 R744 I745 L767 L785L669-I751 HydrophobicContact CB-CB 4.29Å; L669-I751 HydrophobicContact CD1-CG2 4.04Å; L669-I751 PolarHBondContact N-O 2.83Å; F743-I751 HydrophobicContact CB-CG2 4.47Å; R744-I751 WeakPolarHBondContact O-CA 3.25Å; I745-I751 HydrophobicContact CG1-CG1 4.26Å; I751-L767 HydrophobicContact CG2-CD1 3.9Å; I751-L785 HydrophobicContact CD1-CD1 3.39Å
752E90.5Very high88.1Confident18 Ų1844.8 Ų44.88%0.08424%0.241CC..EExtended strand (participates in β ladder)trans-142.2147.6-173.6-48.7-178.7127.400112.6T667 Q668 F743 R744T667-E752 WeakPolarHBondContact O-CA 3.28Å; Q668-E752 HydrophobicContact CG-CG 4.09Å; Q668-E752 PolarHBondContact NE2-OE1 3.08Å; F743-E752 VanDerWaalsContact CA-O 3.28Å; F743-E752 WeakPolarHBondContact CA-O 3.42Å; R744-E752 HydrophobicContact CG-CB 4.34Å; R744-E752 IonicContact CZ-OE2 3.18Å; R744-E752 PolarHBondContact N-O 3.46Å; R744-E752 IonicContact NE-OE2 2.78Å; R744-E752 PolarHBondContact NE-OE2 2.92Å; R744-E752 IonicContact NH2-OE2 3.51Å; R744-E752 PolarHBondContact NH2-OE2 2.93Å; R744-E752 PolarHBondContact O-N 2.62Å
753T91.9Very high87.8Confident1 Ų145.1 Ų45.11%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-79.5157176.469.30000113.6I659 P664 F666 T667 L669 I742 F743I659-T753 HydrophobicContact CD1-CG2 3.98Å; P664-T753 PolarHBondContact O-OG1 2.7Å; F666-T753 WeakPolarHBondContact CA-O 3.45Å; F666-T753 PolarHBondContact N-O 2.75Å; F666-T753 PolarHBondContact N-OG1 3.29Å; T667-T753 PolarHBondContact N-OG1 3.31Å; T667-T753 PolarHBondContact O-N 2.96Å; L669-T753 HydrophobicContact CD2-CG2 4.48Å; I742-T753 CarbonylContact O-C 3.59Å; I742-T753 WeakPolarHBondContact O-CA 3.42Å; F743-T753 HydrophobicContact CD1-CG2 4.29Å; F743-T753 HydrophobicContact CE1-CG2 3.97Å
754L91.1Very high87.7Confident38 Ų3845 Ų4520%0.19924%0.243CC..  trans-125.8-11.2179.6-60.8172.8000113.9R665 F666 P741 I742 R744R665-L754 WeakPolarHBondContact CD-O 3.48Å; F666-L754 HydrophobicContact CD1-CD2 4.05Å; F666-L754 HydrophobicContact CE1-CD2 3.66Å; P741-L754 HydrophobicContact CB-CD1 3.92Å; P741-L754 WeakPolarHBondContact O-CB 3.04Å; P741-L754 WeakPolarHBondContact O-CD1 3.44Å; I742-L754 WeakPolarHBondContact O-CB 3.03Å; I742-L754 PolarHBondContact O-N 2.72Å; R744-L754 HydrophobicContact CB-CD1 4.48Å
755V89.7Confident87.7Confident41 Ų4140.5 Ų40.525%0.24823%0.227CC..SBendtrans-141.9167.2179.2-65.30000111.4I742 L757I742-V755 HydrophobicContact CB-CG2 4.19Å; I742-V755 HydrophobicContact CD1-CG2 4.29Å; I742-V755 HydrophobicContact CG1-CG2 3.85Å; I742-V755 HydrophobicContact CG2-CG2 3.76Å; V755-L757 HydrophobicContact CG2-CD2 4.2Å
756E88.5Confident87.7Confident102 Ų10240.4 Ų40.448%0.47723%0.226SC..  trans-82.4159167.8-63.4120.9-11400110.7A663 R665A663-E756 WeakPolarHBondContact O-CG 3.42Å; R665-E756 WeakPolarHBondContact CG-OE1 3.36Å; R665-E756 IonicContact CZ-OE1 2.88Å; R665-E756 IonicContact NE-OE1 2.7Å; R665-E756 PolarHBondContact NE-OE1 2.69Å; R665-E756 IonicContact NH2-OE1 2.67Å; R665-E756 PolarHBondContact NH2-OE1 2.62Å
757L90.5Very high87.8Confident8 Ų838.6 Ų38.64%0.04222%0.215CC..  trans-129.8156.3-169.7-50.3178000112.5I659 E661 N662 I742 V755 Y765 V789I659-L757 HydrophobicContact CD1-CD1 4.18Å; I659-L757 HydrophobicContact CG2-CD1 3.66Å; E661-L757 WeakPolarHBondContact CA-O 3.15Å; N662-L757 PolarHBondContact N-O 2.8Å; I742-L757 HydrophobicContact CG2-CD2 4.26Å; V755-L757 HydrophobicContact CG2-CD2 4.2Å; L757-Y765 HydrophobicContact CD1-CE2 4.17Å; L757-Y765 HydrophobicContact CD2-CE2 3.74Å; L757-Y765 HydrophobicContact CG-CE2 4.41Å; L757-V789 HydrophobicContact CB-CG2 4.37Å; L757-V789 HydrophobicContact CD1-CG2 4.18Å
758D89.8Confident88.2Confident70 Ų7035 Ų3537%0.37418%0.182SC..  trans-142.6126.8-171.6169.3105.1000109T761 V762D758-T761 WeakPolarHBondContact OD2-CB 3.38Å; D758-T761 PolarHBondContact OD2-N 3.15Å; D758-T761 PolarHBondContact OD2-OG1 2.83Å; D758-V762 CarbonylContact O-C 3.19Å; D758-V762 PolarHBondContact O-N 3.35Å
759R88.9Confident88.6Confident20 Ų2031 Ų318%0.07516%0.161CC..THydrogen-bonded Turntrans-78-40.7-169.9-169.9-156.171.4151.5-11.6112.7E661 T761 V762 P763 V789 D791 S831E661-R759 WeakPolarHBondContact OE2-CB 3.33Å; E661-R759 PolarHBondContact OE2-N 3.34Å; R759-T761 PolarHBondContact O-N 2.81Å; R759-V762 CarbonylContact O-C 3.58Å; R759-V762 PolarHBondContact O-N 2.98Å; R759-P763 HydrophobicContact CG-CB 3.88Å; R759-P763 WeakPolarHBondContact O-CD 3.24Å; R759-P763 VanDerWaalsContact O-N 3.09Å; R759-V789 HydrophobicContact CB-CB 4.43Å; R759-V789 HydrophobicContact CB-CG1 3.89Å; R759-V789 HydrophobicContact CG-CB 4.45Å; R759-V789 HydrophobicContact CG-CG1 4.41Å; R759-D791 IonicContact CZ-OD1 3.09Å; R759-D791 IonicContact CZ-OD2 2.91Å; R759-D791 IonicContact NE-OD1 2.7Å; R759-D791 IonicContact NH1-OD1 2.96Å; R759-D791 PolarHBondContact NH1-OD1 3.39Å; R759-D791 VanDerWaalsContact NH1-OD1 3.17Å; R759-D791 IonicContact NH1-OD2 3.83Å; R759-D791 PolarHBondContact NH1-OD2 3.46Å; R759-D791 IonicContact NH2-OD1 3.83Å; R759-D791 PolarHBondContact NH2-OD1 2.85Å; R759-D791 IonicContact NH2-OD2 2.67Å; R759-S831 PolarHBondContact NH1-OG 3.14Å; R759-S831 VanDerWaalsContact NH1-OG 3.1Å
760E86.7Confident89Confident79 Ų7931.1 Ų31.137%0.36916%0.162SC..THydrogen-bonded Turntrans-62.2-31.4-177.7-75.812.9-88.700111.6
761T85.1Confident89.2Confident93 Ų9330.1 Ų30.157%0.57116%0.156SC*.THydrogen-bonded Turntrans-80.1-51.5169.7-49.90000112.4T697 D758 R759T697-T761 WeakPolarHBondContact CG2-O 3.48Å; D758-T761 WeakPolarHBondContact OD2-CB 3.38Å; D758-T761 PolarHBondContact OD2-N 3.15Å; D758-T761 PolarHBondContact OD2-OG1 2.83Å; R759-T761 PolarHBondContact O-N 2.81Å
762V87.8Confident89.4Confident13 Ų1336 Ų368%0.07918%0.178CC..  trans-140.793.4-176.9-168.80000112A695 T697 D758 R759 V764 Y765 V789A695-V762 HydrophobicContact CB-CG1 3.7Å; A695-V762 HydrophobicContact CB-CG2 4.22Å; T697-V762 HydrophobicContact CG2-CG1 4.5Å; T697-V762 HydrophobicContact CG2-CG2 3.95Å; D758-V762 CarbonylContact O-C 3.19Å; D758-V762 PolarHBondContact O-N 3.35Å; R759-V762 CarbonylContact O-C 3.58Å; R759-V762 PolarHBondContact O-N 2.98Å; V762-V764 VanDerWaalsContact C-N 3.26Å; V762-V764 VanDerWaalsContact CG1-O 3.3Å; V762-V764 WeakPolarHBondContact CG1-O 3.44Å; V762-V764 PolarHBondContact O-N 2.99Å; V762-Y765 HydrophobicContact CB-CE2 4Å; V762-Y765 HydrophobicContact CG1-CD1 4.25Å; V762-Y765 HydrophobicContact CG1-CD2 4.04Å; V762-Y765 HydrophobicContact CG1-CE1 3.86Å; V762-Y765 HydrophobicContact CG1-CE2 3.62Å; V762-Y765 HydrophobicContact CG1-CG 4.34Å; V762-V789 WeakPolarHBondContact O-CG2 3.44Å
763P86.3Confident89.5Confident21 Ų2135.3 Ų35.314%0.13618%0.175CC..SBendtrans-68-20.817726.8-36.9000114.2L696 M733 R759 V789L696-P763 VanDerWaalsContact O-CD 3.27Å; L696-P763 WeakPolarHBondContact O-CD 3.42Å; M733-P763 HydrophobicContact CE-CG 4.01Å; M733-P763 HydrophobicContact SD-CG 3.87Å; R759-P763 HydrophobicContact CG-CB 3.88Å; R759-P763 WeakPolarHBondContact O-CD 3.24Å; R759-P763 VanDerWaalsContact O-N 3.09Å; P763-V789 WeakPolarHBondContact O-CB 3.48Å; P763-V789 PolarHBondContact O-N 2.94Å
764V89.7Confident89.5Confident4 Ų441.5 Ų41.52%0.02420%0.198CC..EExtended strand (participates in β ladder)trans-148.8137.6-172.9-166.30000112.2L696 M733 V762 R786 V787L696-V764 HydrophobicContact CB-CB 4.13Å; L696-V764 HydrophobicContact CD1-CB 3.84Å; L696-V764 HydrophobicContact CD1-CG1 3.82Å; L696-V764 PolarHBondContact N-O 2.99Å; M733-V764 HydrophobicContact CE-CG2 4.49Å; M733-V764 HydrophobicContact SD-CG2 4.49Å; V762-V764 VanDerWaalsContact C-N 3.26Å; V762-V764 VanDerWaalsContact CG1-O 3.3Å; V762-V764 WeakPolarHBondContact CG1-O 3.44Å; V762-V764 PolarHBondContact O-N 2.99Å; V764-R786 HydrophobicContact CG1-CG 3.76Å; V764-R786 VanDerWaalsContact CG2-NH2 3.3Å; V764-V787 WeakPolarHBondContact CA-O 3.45Å; V764-V787 WeakPolarHBondContact CG1-O 3.29Å
765Y90.5Very high89.1Confident18 Ų1840.1 Ų40.17%0.07119%0.192CC..EExtended strand (participates in β ladder)trans-112.8153.1164.6-62.4-95.2000111.8T693 Y694 A695 V738 I742 F743 L757 V762 V787 V789T693-Y765 HydrophobicContact CG2-CD1 4.34Å; Y694-Y765 CarbonylContact O-C 3.57Å; Y694-Y765 VanDerWaalsContact O-CA 3.22Å; Y694-Y765 WeakPolarHBondContact O-CA 3.33Å; A695-Y765 HydrophobicContact CB-CD1 4.07Å; A695-Y765 HydrophobicContact CB-CE1 3.91Å; V738-Y765 HydrophobicContact CG2-CE1 4.46Å; I742-Y765 HydrophobicContact CD1-CD1 4.26Å; I742-Y765 HydrophobicContact CD1-CE1 3.47Å; I742-Y765 VanDerWaalsContact CD1-CE1 3.47Å; F743-Y765 HydrophobicContact CE2-CD1 4.34Å; F743-Y765 HydrophobicContact CE2-CG 4.19Å; F743-Y765 HydrophobicContact CZ-CG 4.38Å; L757-Y765 HydrophobicContact CD1-CE2 4.17Å; L757-Y765 HydrophobicContact CD2-CE2 3.74Å; L757-Y765 HydrophobicContact CG-CE2 4.41Å; V762-Y765 HydrophobicContact CB-CE2 4Å; V762-Y765 HydrophobicContact CG1-CD1 4.25Å; V762-Y765 HydrophobicContact CG1-CD2 4.04Å; V762-Y765 HydrophobicContact CG1-CE1 3.86Å; V762-Y765 HydrophobicContact CG1-CE2 3.62Å; V762-Y765 HydrophobicContact CG1-CG 4.34Å; Y765-V787 PolarHBondContact N-O 2.82Å; Y765-V787 PolarHBondContact O-N 2.77Å; Y765-V789 HydrophobicContact CD2-CG2 4.32Å; Y765-V789 HydrophobicContact CE2-CG2 4.21Å
766I89.4Confident88.7Confident35 Ų3543.1 Ų43.118%0.17922%0.222CC..EExtended strand (participates in β ladder)trans-126131.1171-63.6179.5000109.5Y694 L696 M784 L785Y694-I766 HydrophobicContact CD2-CB 4.37Å; Y694-I766 HydrophobicContact CD2-CG2 4.32Å; Y694-I766 WeakPolarHBondContact CD2-O 3.24Å; Y694-I766 PolarHBondContact N-O 3Å; Y694-I766 PolarHBondContact O-N 2.79Å; L696-I766 HydrophobicContact CD1-CD1 3.76Å; L696-I766 HydrophobicContact CD1-CG1 4Å; I766-M784 HydrophobicContact CG2-CB 4.12Å; I766-M784 HydrophobicContact CG2-CG 4.4Å; I766-M784 HydrophobicContact CG2-SD 3.73Å; I766-L785 CarbonylContact C-O 3.55Å; I766-L785 WeakPolarHBondContact CA-O 3.47Å
767L89.2Confident88.5Confident0 Ų046.3 Ų46.30%024%0.236CC..EExtended strand (participates in β ladder)trans-107125.5176.6-40.2-177.1000109.3L669 L690 T693 F743 I751 M784 L785 V787L669-L767 HydrophobicContact CD1-CD1 4.4Å; L690-L767 HydrophobicContact CD1-CB 4.41Å; T693-L767 HydrophobicContact CG2-CD2 4Å; F743-L767 HydrophobicContact CB-CD1 4.34Å; F743-L767 HydrophobicContact CB-CD2 4.37Å; F743-L767 HydrophobicContact CD1-CD1 4.23Å; F743-L767 HydrophobicContact CD1-CD2 4.46Å; F743-L767 HydrophobicContact CD2-CD1 4.35Å; F743-L767 HydrophobicContact CD2-CD2 3.23Å; F743-L767 HydrophobicContact CD2-CG 4.42Å; F743-L767 HydrophobicContact CE2-CD2 3.45Å; F743-L767 VanDerWaalsContact CE2-CD2 3.45Å; F743-L767 HydrophobicContact CG-CD1 4.06Å; F743-L767 HydrophobicContact CG-CD2 3.79Å; F743-L767 HydrophobicContact CZ-CD2 4.17Å; I751-L767 HydrophobicContact CG2-CD1 3.9Å; L767-M784 WeakPolarHBondContact O-CA 3.4Å; L767-L785 HydrophobicContact CB-CB 4.32Å; L767-L785 PolarHBondContact N-O 3.13Å; L767-L785 PolarHBondContact O-N 2.76Å; L767-V787 HydrophobicContact CD1-CG2 4.23Å; L767-V787 HydrophobicContact CG-CG2 4.26Å
768K88.9Confident88.4Confident62 Ų6249.7 Ų49.727%0.2726%0.259SS..EExtended strand (participates in β ladder)trans-92.5121.5168.8-171.4-177.1-179.4-178.70109.2L691 A692 Y694 T782 M784L691-K768 HydrophobicContact CB-CB 4.28Å; L691-K768 HydrophobicContact CB-CD 4.15Å; L691-K768 HydrophobicContact CB-CG 4.09Å; L691-K768 WeakPolarHBondContact CB-O 3.47Å; L691-K768 HydrophobicContact CD1-CD 4.2Å; L691-K768 HydrophobicContact CD1-CG 4.22Å; L691-K768 PolarHBondContact N-O 3.17Å; A692-K768 HydrophobicContact CB-CB 4.21Å; A692-K768 PolarHBondContact N-O 2.94Å; A692-K768 PolarHBondContact O-N 2.97Å; Y694-K768 HydrophobicContact CE2-CB 4.17Å; K768-T782 WeakPolarHBondContact CE-OG1 3.5Å; K768-M784 HydrophobicContact CB-CE 4.01Å; K768-M784 HydrophobicContact CB-SD 3.69Å; K768-M784 HydrophobicContact CD-CE 3.89Å; K768-M784 HydrophobicContact CG-CE 3.8Å; K768-M784 HydrophobicContact CG-SD 3.94Å
769I89.3Confident88.4Confident0 Ų049 Ų490%026%0.255CS..EExtended strand (participates in β ladder)trans-118.5157.4176.367.9169.9000110.2F637 L673 S689 L690 I745 T782 T783 L785F637-I769 HydrophobicContact CD1-CD1 4.49Å; F637-I769 HydrophobicContact CE1-CD1 3.72Å; F637-I769 HydrophobicContact CE1-CG1 4.22Å; F637-I769 HydrophobicContact CZ-CD1 3.95Å; F637-I769 HydrophobicContact CZ-CG1 3.92Å; L673-I769 HydrophobicContact CD1-CD1 3.84Å; L673-I769 HydrophobicContact CD2-CD1 3.44Å; L673-I769 VanDerWaalsContact CD2-CD1 3.44Å; L673-I769 HydrophobicContact CG-CD1 4.3Å; S689-I769 WeakPolarHBondContact O-CA 3.2Å; L690-I769 HydrophobicContact CD1-CG2 3.93Å; I745-I769 HydrophobicContact CD1-CB 4.25Å; I745-I769 HydrophobicContact CD1-CG2 3.69Å; I769-T782 CarbonylContact O-C 3.54Å; I769-T782 WeakPolarHBondContact O-CA 3.34Å; I769-T782 VanDerWaalsContact O-CB 3.24Å; I769-T782 WeakPolarHBondContact O-CB 3.45Å; I769-T783 HydrophobicContact CD1-CG2 3.66Å; I769-T783 HydrophobicContact CG1-CG2 3.49Å; I769-T783 VanDerWaalsContact CG1-CG2 3.49Å; I769-T783 PolarHBondContact N-O 3.3Å; I769-T783 PolarHBondContact O-N 3.17Å; I769-L785 HydrophobicContact CD1-CD1 3.83Å; I769-L785 HydrophobicContact CD1-CG 4.42Å; I769-L785 HydrophobicContact CG2-CD1 4.46Å
770G89.6Confident88.5Confident3 Ų351.1 Ų51.13%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-145.6149.1-179.900000113.8F688 S689 S781F688-G770 CarbonylContact C-O 3.59Å; F688-G770 WeakPolarHBondContact CA-O 3.25Å; S689-G770 PolarHBondContact N-O 2.64Å; S689-G770 PolarHBondContact O-N 2.83Å; S689-G770 PolarHBondContact OG-O 3.13Å; G770-S781 CarbonylContact C-O 3.5Å; G770-S781 VanDerWaalsContact CA-O 3.3Å; G770-S781 WeakPolarHBondContact CA-O 3.46Å
771V91.4Very high88.6Confident3 Ų348.5 Ų48.52%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-124.7145.1172.768.90000109.2P635 F637 A675 V686 Q687 F688 A780 S781P635-V771 HydrophobicContact CB-CG1 4.15Å; P635-V771 HydrophobicContact CB-CG2 4.46Å; P635-V771 HydrophobicContact CG-CG1 4.34Å; P635-V771 WeakPolarHBondContact O-CG1 3.46Å; F637-V771 HydrophobicContact CD2-CG1 3.72Å; F637-V771 HydrophobicContact CE1-CB 4.22Å; F637-V771 HydrophobicContact CE1-CG1 4.4Å; F637-V771 HydrophobicContact CE2-CB 3.96Å; F637-V771 HydrophobicContact CE2-CG1 3.5Å; F637-V771 HydrophobicContact CG-CG1 4.27Å; F637-V771 HydrophobicContact CZ-CB 3.8Å; F637-V771 HydrophobicContact CZ-CG1 3.88Å; A675-V771 HydrophobicContact CB-CG1 4.25Å; A675-V771 HydrophobicContact CB-CG2 3.88Å; V686-V771 HydrophobicContact CB-CG2 3.86Å; V686-V771 HydrophobicContact CG1-CG2 4.46Å; Q687-V771 CarbonylContact O-C 3.53Å; Q687-V771 VanDerWaalsContact O-CA 3.26Å; Q687-V771 WeakPolarHBondContact O-CA 3.48Å; Q687-V771 WeakPolarHBondContact O-CG2 3.3Å; F688-V771 HydrophobicContact CD1-CB 3.8Å; F688-V771 HydrophobicContact CD1-CG2 3.73Å; F688-V771 HydrophobicContact CE1-CB 3.95Å; F688-V771 HydrophobicContact CE1-CG2 3.67Å; F688-V771 HydrophobicContact CG-CG2 4.48Å; F688-V771 HydrophobicContact CZ-CG2 4.38Å; V771-A780 CarbonylContact O-C 3.45Å; V771-A780 WeakPolarHBondContact O-CA 3.41Å; V771-A780 VanDerWaalsContact O-CB 3.28Å; V771-A780 WeakPolarHBondContact O-CB 3.44Å; V771-S781 VanDerWaalsContact CG1-OG 3.29Å; V771-S781 WeakPolarHBondContact CG1-OG 3.38Å; V771-S781 PolarHBondContact N-O 3.17Å; V771-S781 PolarHBondContact O-N 3.34Å
772R92.5Very high88.7Confident128 Ų12847.2 Ų47.248%0.48326%0.259SS..EExtended strand (participates in β ladder)trans-139162.6177.769176.6-176.7-177.83.5111.5V686 Q687 L779 A780V686-R772 CarbonylContact C-O 3.59Å; V686-R772 VanDerWaalsContact CA-O 3.25Å; V686-R772 WeakPolarHBondContact CA-O 3.3Å; Q687-R772 HydrophobicContact CB-CG 4.27Å; Q687-R772 PolarHBondContact N-O 3.1Å; Q687-R772 PolarHBondContact O-N 3.49Å; Q687-R772 VanDerWaalsContact OE1-NE 3.11Å; R772-L779 VanDerWaalsContact CA-O 3.24Å; R772-L779 WeakPolarHBondContact CA-O 3.17Å; R772-L779 WeakPolarHBondContact CB-O 3.37Å; R772-A780 HydrophobicContact CB-CB 3.78Å
773D93.4Very high88.5Confident3 Ų347.5 Ų47.52%0.01626%0.261CS..  trans-91.4-156178.366.444.3000113.5N631 P635 N683 R685 G775 P778 L779N631-D773 PolarHBondContact ND2-OD2 3.41Å; P635-D773 HydrophobicContact CG-CB 4.21Å; N683-D773 WeakPolarHBondContact O-CB 3.28Å; R685-D773 CarbonylContact O-C 3.58Å; R685-D773 VanDerWaalsContact O-C 3.26Å; R685-D773 WeakPolarHBondContact O-CA 2.98Å; D773-G775 PolarHBondContact OD1-N 2.81Å; D773-P778 WeakPolarHBondContact OD1-CA 3.28Å; D773-P778 WeakPolarHBondContact OD1-CB 3.46Å; D773-L779 PolarHBondContact N-O 3.42Å; D773-L779 VanDerWaalsContact N-O 3.11Å; D773-L779 PolarHBondContact OD1-N 3.37Å; D773-L779 VanDerWaalsContact OD2-CA 3.28Å; D773-L779 WeakPolarHBondContact OD2-CA 3.46Å; D773-L779 VanDerWaalsContact OD2-CB 3.25Å; D773-L779 WeakPolarHBondContact OD2-CB 3.19Å; D773-L779 PolarHBondContact OD2-N 2.79Å
774R90.2Very high88.4Confident131 Ų13150.8 Ų50.849%0.49428%0.275SS..  trans-13221.5168.6-63.2-178.1-165.6-159.4-2.1114.5D682 R685D682-R774 HydrophobicContact CB-CB 4.37Å; D682-R774 CarbonylContact O-C 3.53Å; D682-R774 WeakPolarHBondContact O-CA 3.33Å; D682-R774 WeakPolarHBondContact O-CB 3.49Å; D682-R774 PolarHBondContact O-N 2.88Å; R685-R774 HydrophobicContact CB-CB 4.38Å; R685-R774 HydrophobicContact CB-CG 4.47Å; R685-R774 WeakPolarHBondContact O-CG 3.1Å; R685-R774 PolarHBondContact O-N 2.96Å
775G84.5Confident88.1Confident8 Ų850.8 Ų50.88%0.08228%0.275CS..SBendtrans-58.5165.3173.900000113.3N631 D682 N683 D773 Q777 P778N631-G775 WeakPolarHBondContact OD1-CA 3.29Å; D682-G775 PolarHBondContact O-N 3.3Å; N683-G775 WeakPolarHBondContact OD1-CA 3.22Å; D773-G775 PolarHBondContact OD1-N 2.81Å; G775-Q777 PolarHBondContact O-N 2.85Å; G775-P778 WeakPolarHBondContact O-CD 3.37Å
776A80.2Confident87.9Confident104 Ų10452.6 Ų52.686%0.8628%0.282SS*.SBendtrans-62.4-26.7178.200000113
777Q84.9Confident87.8Confident169 Ų16951 Ų5179%0.7927%0.274SS*.SBendtrans-127.788.3167.8-68.9-172.679.700108.1G775 L779G775-Q777 PolarHBondContact O-N 2.85Å; Q777-L779 PolarHBondContact O-N 2.67Å
778P88.7Confident87.7Confident79 Ų7953 Ų5351%0.51329%0.285SS..  trans-73.9124.5-160.726.8-35000113.1D773 G775D773-P778 WeakPolarHBondContact OD1-CA 3.28Å; D773-P778 WeakPolarHBondContact OD1-CB 3.46Å; G775-P778 WeakPolarHBondContact O-CD 3.37Å
779L90.1Very high87.7Confident57 Ų5750.6 Ų50.630%0.29828%0.275SS..  trans-80160.7174.3-58.3176.8000110.7N631 N633 A634 R772 D773 Q777N631-L779 WeakPolarHBondContact ND2-CD1 3.45Å; N631-L779 WeakPolarHBondContact ND2-CG 3.32Å; N631-L779 WeakPolarHBondContact O-CD1 3.2Å; N633-L779 WeakPolarHBondContact O-CD1 3.26Å; A634-L779 HydrophobicContact CB-CB 3.87Å; A634-L779 HydrophobicContact CB-CD1 4.28Å; R772-L779 VanDerWaalsContact CA-O 3.24Å; R772-L779 WeakPolarHBondContact CA-O 3.17Å; R772-L779 WeakPolarHBondContact CB-O 3.37Å; D773-L779 PolarHBondContact N-O 3.42Å; D773-L779 VanDerWaalsContact N-O 3.11Å; D773-L779 PolarHBondContact OD1-N 3.37Å; D773-L779 VanDerWaalsContact OD2-CA 3.28Å; D773-L779 WeakPolarHBondContact OD2-CA 3.46Å; D773-L779 VanDerWaalsContact OD2-CB 3.25Å; D773-L779 WeakPolarHBondContact OD2-CB 3.19Å; D773-L779 PolarHBondContact OD2-N 2.79Å; Q777-L779 PolarHBondContact O-N 2.67Å
780A91.1Very high87.5Confident64 Ų6454.8 Ų54.853%0.52930%0.295SS..EExtended strand (participates in β ladder)trans-157140-17500000112.4V771 R772V771-A780 CarbonylContact O-C 3.45Å; V771-A780 WeakPolarHBondContact O-CA 3.41Å; V771-A780 VanDerWaalsContact O-CB 3.28Å; V771-A780 WeakPolarHBondContact O-CB 3.44Å; R772-A780 HydrophobicContact CB-CB 3.78Å
781S87.8Confident87.3Confident23 Ų2357.8 Ų57.816%0.16131%0.31CS..EExtended strand (participates in β ladder)trans-111155.4168.677.50000111.4P635 F637 G770 V771P635-S781 VanDerWaalsContact O-CB 3.24Å; P635-S781 WeakPolarHBondContact O-CB 3.36Å; P635-S781 PolarHBondContact O-OG 3.01Å; F637-S781 WeakPolarHBondContact CD2-OG 3.31Å; G770-S781 CarbonylContact C-O 3.5Å; G770-S781 VanDerWaalsContact CA-O 3.3Å; G770-S781 WeakPolarHBondContact CA-O 3.46Å; V771-S781 VanDerWaalsContact CG1-OG 3.29Å; V771-S781 WeakPolarHBondContact CG1-OG 3.38Å; V771-S781 PolarHBondContact N-O 3.17Å; V771-S781 PolarHBondContact O-N 3.34Å
782T88.2Confident86.8Confident67 Ų6760.2 Ų60.241%0.41133%0.331SS..EExtended strand (participates in β ladder)trans-136.4144.517772.20000110.7L691 K768 I769L691-T782 HydrophobicContact CD1-CG2 3.59Å; K768-T782 WeakPolarHBondContact CE-OG1 3.5Å; I769-T782 CarbonylContact O-C 3.54Å; I769-T782 WeakPolarHBondContact O-CA 3.34Å; I769-T782 VanDerWaalsContact O-CB 3.24Å; I769-T782 WeakPolarHBondContact O-CB 3.45Å
783T83.3Confident86.4Confident19 Ų1956.9 Ų56.912%0.11732%0.322CS..EExtended strand (participates in β ladder)trans-134.3164.3177.8-171.40000111.3F637 P640 I769F637-T783 HydrophobicContact CD2-CG2 3.99Å; F637-T783 HydrophobicContact CE1-CG2 4.46Å; F637-T783 HydrophobicContact CE2-CG2 3.93Å; F637-T783 HydrophobicContact CG-CG2 4.28Å; F637-T783 HydrophobicContact CZ-CG2 4.16Å; P640-T783 HydrophobicContact CG-CG2 4.07Å; I769-T783 HydrophobicContact CD1-CG2 3.66Å; I769-T783 HydrophobicContact CG1-CG2 3.49Å; I769-T783 VanDerWaalsContact CG1-CG2 3.49Å; I769-T783 PolarHBondContact N-O 3.3Å; I769-T783 PolarHBondContact O-N 3.17Å
784M83.4Confident86Confident89 Ų8962.3 Ų62.344%0.43835%0.352SS..EExtended strand (participates in β ladder)trans-115.7124.8-176.6-66.1-71.7-176.600109.5I766 L767 K768I766-M784 HydrophobicContact CG2-CB 4.12Å; I766-M784 HydrophobicContact CG2-CG 4.4Å; I766-M784 HydrophobicContact CG2-SD 3.73Å; L767-M784 WeakPolarHBondContact O-CA 3.4Å; K768-M784 HydrophobicContact CB-CE 4.01Å; K768-M784 HydrophobicContact CB-SD 3.69Å; K768-M784 HydrophobicContact CD-CE 3.89Å; K768-M784 HydrophobicContact CG-CE 3.8Å; K768-M784 HydrophobicContact CG-SD 3.94Å
785L84.5Confident85.7Confident4 Ų459.1 Ų59.12%0.02134%0.344CS..EExtended strand (participates in β ladder)trans-104.6135.4173.8-73.1170.9000109.7P640 F655 F657 I751 I766 L767 I769P640-L785 HydrophobicContact CB-CD2 4.29Å; P640-L785 HydrophobicContact CG-CD2 3.81Å; P640-L785 HydrophobicContact CG-CG 4.47Å; F655-L785 HydrophobicContact CB-CD2 4.32Å; F657-L785 HydrophobicContact CE2-CB 4.29Å; F657-L785 HydrophobicContact CE2-CD1 4.01Å; F657-L785 HydrophobicContact CE2-CD2 3.76Å; F657-L785 HydrophobicContact CE2-CG 4.24Å; F657-L785 HydrophobicContact CZ-CD2 4.5Å; I751-L785 HydrophobicContact CD1-CD1 3.39Å; I766-L785 CarbonylContact C-O 3.55Å; I766-L785 WeakPolarHBondContact CA-O 3.47Å; L767-L785 HydrophobicContact CB-CB 4.32Å; L767-L785 PolarHBondContact N-O 3.13Å; L767-L785 PolarHBondContact O-N 2.76Å; I769-L785 HydrophobicContact CD1-CD1 3.83Å; I769-L785 HydrophobicContact CD1-CG 4.42Å; I769-L785 HydrophobicContact CG2-CD1 4.46Å
786R85.4Confident85.6Confident57 Ų5760.8 Ų60.822%0.21536%0.357CS..EExtended strand (participates in β ladder)trans-99.7140.3178.7-176.7169.5167.7121.1-2.3109.7F655 A656 F657 E730 V764 N788F655-R786 PolarHBondContact O-N 2.97Å; A656-R786 CarbonylContact C-O 3.33Å; A656-R786 WeakPolarHBondContact CA-O 3.36Å; F657-R786 PolarHBondContact N-O 3.4Å; E730-R786 IonicContact OE1-CZ 3.07Å; E730-R786 IonicContact OE1-NH1 3.34Å; E730-R786 PolarHBondContact OE1-NH1 2.72Å; E730-R786 IonicContact OE1-NH2 3.41Å; E730-R786 PolarHBondContact OE1-NH2 3.48Å; E730-R786 IonicContact OE2-NH1 3.05Å; E730-R786 PolarHBondContact OE2-NH1 2.94Å; E730-R786 VanDerWaalsContact OE2-NH1 3.13Å; V764-R786 HydrophobicContact CG1-CG 3.76Å; V764-R786 VanDerWaalsContact CG2-NH2 3.3Å; R786-N788 PolarHBondContact NE-OD1 2.8Å; R786-N788 PolarHBondContact NH2-OD1 3Å
787V87.5Confident86Confident0 Ų056.8 Ų56.80%032%0.322CS..EExtended strand (participates in β ladder)trans-124.2114.2173.4-172.80000107.7F657 I659 L669 F743 V764 Y765 L767F657-V787 HydrophobicContact CB-CG2 4.48Å; F657-V787 CarbonylContact O-C 3.5Å; F657-V787 VanDerWaalsContact O-CA 3.25Å; F657-V787 WeakPolarHBondContact O-CA 3.47Å; I659-V787 HydrophobicContact CG2-CG1 3.79Å; L669-V787 HydrophobicContact CD1-CG2 3.85Å; F743-V787 HydrophobicContact CE1-CG2 4.33Å; F743-V787 HydrophobicContact CZ-CB 4.49Å; F743-V787 HydrophobicContact CZ-CG1 4.36Å; F743-V787 HydrophobicContact CZ-CG2 4.21Å; V764-V787 WeakPolarHBondContact CA-O 3.45Å; V764-V787 WeakPolarHBondContact CG1-O 3.29Å; Y765-V787 PolarHBondContact N-O 2.82Å; Y765-V787 PolarHBondContact O-N 2.77Å; L767-V787 HydrophobicContact CD1-CG2 4.23Å; L767-V787 HydrophobicContact CG-CG2 4.26Å
788N87Confident86.2Confident43 Ų4353.3 Ų53.323%0.2331%0.313CS..EExtended strand (participates in β ladder)trans-94.6130.4-178.6-75.4-24.1000110.1F657 T658 I659 R786F657-N788 PolarHBondContact O-N 2.84Å; T658-N788 HydrophobicContact CG2-CB 4.36Å; I659-N788 PolarHBondContact N-O 3.43Å; I659-N788 VanDerWaalsContact O-O 3.11Å; R786-N788 PolarHBondContact NE-OD1 2.8Å; R786-N788 PolarHBondContact NH2-OD1 3Å
789V88.7Confident86.2Confident12 Ų1252.2 Ų52.27%0.07330%0.298CS..EExtended strand (participates in β ladder)trans-94133.8169.5-1700000109I659 E661 L757 R759 V762 P763 Y765I659-V789 HydrophobicContact CG2-CG2 4.41Å; I659-V789 WeakPolarHBondContact O-CA 3.35Å; E661-V789 HydrophobicContact CB-CG1 3.7Å; L757-V789 HydrophobicContact CB-CG2 4.37Å; L757-V789 HydrophobicContact CD1-CG2 4.18Å; R759-V789 HydrophobicContact CB-CB 4.43Å; R759-V789 HydrophobicContact CB-CG1 3.89Å; R759-V789 HydrophobicContact CG-CB 4.45Å; R759-V789 HydrophobicContact CG-CG1 4.41Å; V762-V789 WeakPolarHBondContact O-CG2 3.44Å; P763-V789 WeakPolarHBondContact O-CB 3.48Å; P763-V789 PolarHBondContact O-N 2.94Å; Y765-V789 HydrophobicContact CD2-CG2 4.32Å; Y765-V789 HydrophobicContact CE2-CG2 4.21Å
790Q85.7Confident86Confident87 Ų8752.2 Ų52.241%0.40730%0.301SS..PPolyproline II helixtrans-93.4168.5-178.5-64.1-177.8-26.500112.8I659 E661I659-Q790 PolarHBondContact O-N 2.91Å; I659-Q790 VanDerWaalsContact O-N 3.13Å; E661-Q790 VanDerWaalsContact CD-O 3.29Å; E661-Q790 WeakPolarHBondContact CG-O 3.38Å
791D84.3Confident85.6Confident66 Ų6653.8 Ų53.835%0.35330%0.295SS..  trans-109.7144.5-159.8-17511.5000114R759R759-D791 IonicContact CZ-OD1 3.09Å; R759-D791 IonicContact CZ-OD2 2.91Å; R759-D791 IonicContact NE-OD1 2.7Å; R759-D791 IonicContact NH1-OD1 2.96Å; R759-D791 PolarHBondContact NH1-OD1 3.39Å; R759-D791 VanDerWaalsContact NH1-OD1 3.17Å; R759-D791 IonicContact NH1-OD2 3.83Å; R759-D791 PolarHBondContact NH1-OD2 3.46Å; R759-D791 IonicContact NH2-OD1 3.83Å; R759-D791 PolarHBondContact NH2-OD1 2.85Å; R759-D791 IonicContact NH2-OD2 2.67Å
792A82.2Confident85.3Confident55 Ų5553.2 Ų53.246%0.45529%0.291SS..  trans-131.7127.9165.300000111.3E661 D794E661-A792 PolarHBondContact OE1-N 2.89Å; E661-A792 VanDerWaalsContact OE1-N 3.08Å; A792-D794 PolarHBondContact O-N 3.45Å
793N82.5Confident84.8Confident57 Ų5752.3 Ų52.331%0.30529%0.286SS..  trans-64.2116.8-179.6164.79.9000112.7D830 T925 P926N793-D830 PolarHBondContact OD1-OD2 2.97Å; N793-T925 PolarHBondContact ND2-O 3.24Å; N793-P926 PolarHBondContact ND2-O 3.33Å
794D85.5Confident84.4Confident118 Ų11856.5 Ų56.563%0.63131%0.313SS*.  trans-145.816.8-179.379.2-2.2000118.7A792 D830A792-D794 PolarHBondContact O-N 3.45Å; D794-D830 PolarHBondContact N-OD1 2.78Å; D794-D830 PolarHBondContact N-OD2 3.22Å
795N83.9Confident84.2Confident64 Ų6459 Ų5934%0.34233%0.333SS..  trans-125.2-167.8-175.7-60-86.8000115.8A829 D830 S928N795-A829 HydrophobicContact CB-CB 4.1Å; N795-D830 WeakPolarHBondContact CA-OD2 3.39Å; N795-D830 HydrophobicContact CB-CB 4.38Å; N795-D830 PolarHBondContact N-OD2 3.13Å; N795-D830 PolarHBondContact ND2-OD1 2.93Å; N795-S928 WeakPolarHBondContact O-CB 3.38Å
796A83.6Confident83.8Confident42 Ų4262.4 Ų62.435%0.34735%0.351SS..  trans-169.1164.5-173.500000117.4D828A796-D828 WeakPolarHBondContact CA-OD1 3.45Å; A796-D828 WeakPolarHBondContact CA-OD2 3.37Å; A796-D828 PolarHBondContact N-OD1 3.33Å
797P88.4Confident83.8Confident20 Ų2064.5 Ų64.513%0.1336%0.359CS..  trans-90.3164.3-165.9-2.217.7000120.7E827 D828 D922P797-E827 CarbonylContact C-O 3.56Å; P797-E827 WeakPolarHBondContact CA-O 3.26Å; P797-D828 HydrophobicContact CB-CB 4.24Å; P797-D828 WeakPolarHBondContact CD-OD2 3.4Å; P797-D828 WeakPolarHBondContact CG-OD2 3.25Å; P797-D922 HydrophobicContact CG-CB 3.85Å
798V88.5Confident83.5Confident97 Ų9768 Ų6859%0.58838%0.381SS*.EExtended strand (participates in β ladder)trans-148.1142-176.3-170.90000114.8A826 E827V798-A826 CarbonylContact O-C 3.51Å; V798-A826 VanDerWaalsContact O-CA 3.23Å; V798-A826 WeakPolarHBondContact O-CA 3.25Å; V798-A826 VanDerWaalsContact O-CB 3.3Å; V798-A826 WeakPolarHBondContact O-CB 3.34Å; V798-E827 PolarHBondContact N-O 2.79Å; V798-E827 PolarHBondContact O-N 2.86Å
799W87.8Confident83.4Confident55 Ų5567.4 Ų67.421%0.20838%0.377CS..EExtended strand (participates in β ladder)trans-73.3152.1172.9-77.8118.3000114.8A826 Y839 L918 A920 A932 W933 L934W799-A826 HydrophobicContact CE3-CB 4.12Å; W799-Y839 HydrophobicContact CH2-CD1 4.15Å; W799-Y839 AromaticContact CZ3-CD1 3.8Å; W799-Y839 HydrophobicContact CZ3-CD1 3.8Å; W799-Y839 AromaticContact CZ3-CE1 3.87Å; W799-Y839 HydrophobicContact CZ3-CE1 3.87Å; W799-L918 HydrophobicContact CH2-CB 4.35Å; W799-A920 HydrophobicContact CH2-CB 3.92Å; W799-A920 HydrophobicContact CZ2-CB 3.97Å; W799-A920 HydrophobicContact CZ3-CB 4.32Å; W799-A932 HydrophobicContact CG-CB 4.25Å; W799-W933 VanDerWaalsContact NE1-C 3.35Å; W799-W933 PolarHBondContact NE1-O 2.73Å; W799-W933 VanDerWaalsContact NE1-O 3.1Å; W799-L934 HydrophobicContact CZ2-CB 3.99Å
800V86.7Confident83.1Confident58 Ų5872.3 Ų72.335%0.35240%0.403SS..EExtended strand (participates in β ladder)trans-125.7-44.2175.9-176.80000114.3R825 E827V800-R825 HydrophobicContact CB-CB 4.13Å; V800-R825 HydrophobicContact CB-CG 3.87Å; V800-R825 HydrophobicContact CG1-CG 4.3Å; V800-R825 HydrophobicContact CG2-CG 4.29Å; V800-R825 PolarHBondContact N-O 3.46Å; V800-E827 HydrophobicContact CG2-CB 4.41Å; V800-E827 HydrophobicContact CG2-CG 3.82Å
801F83Confident83.2Confident96 Ų9668.5 Ų68.542%0.42139%0.385SS..EExtended strand (participates in β ladder)trans-151.1144.1179.7-172.6-90000112T803 R823 L824 R825F801-T803 HydrophobicContact CD2-CG2 4.13Å; F801-R823 VanDerWaalsContact CD1-O 3.3Å; F801-R823 WeakPolarHBondContact CD1-O 3.47Å; F801-R823 WeakPolarHBondContact CE1-O 3.41Å; F801-L824 CarbonylContact O-C 3.56Å; F801-L824 WeakPolarHBondContact O-CA 3.27Å; F801-R825 HydrophobicContact CB-CB 4.34Å; F801-R825 PolarHBondContact N-O 2.88Å; F801-R825 VanDerWaalsContact N-O 3.14Å; F801-R825 PolarHBondContact O-N 3.49Å
802P80.6Confident83Confident11 Ų1168.4 Ų68.47%0.07139%0.388CS..SBendcis-55.6144.7-6.3-10.69.7000113.1D806 L824 L934 I936P802-D806 VanDerWaalsContact CB-O 3.25Å; P802-D806 WeakPolarHBondContact CB-O 3.26Å; P802-L824 HydrophobicContact CG-CD2 3.97Å; P802-L934 HydrophobicContact CB-CD2 4.18Å; P802-L934 HydrophobicContact CG-CD2 3.86Å; P802-I936 HydrophobicContact CB-CG2 4.24Å; P802-I936 HydrophobicContact CG-CG2 3.66Å
803T78.9Confident83.2Confident48 Ų4867.9 Ų67.929%0.29438%0.379SS..  trans-71.3160.3-18072.50000110.2F801 V805 D806F801-T803 HydrophobicContact CD2-CG2 4.13Å; T803-V805 PolarHBondContact O-N 3.11Å; T803-V805 VanDerWaalsContact OG1-CG2 3.32Å; T803-V805 WeakPolarHBondContact OG1-CG2 3.32Å; T803-D806 PolarHBondContact O-N 2.07Å; T803-D806 PolarHBondContact OG1-N 2.75Å
804P74.6Confident82.8Confident107 Ų10767.6 Ų67.670%0.69539%0.389SS*.THydrogen-bonded Turntrans-55.4-23.5178.2-29.136.7000114.9R807P804-R807 PolarHBondContact O-NE 2.78Å; P804-R807 PolarHBondContact O-NH2 2.8Å
805V78.3Confident82.7Confident142 Ų14264.1 Ų64.186%0.86137%0.37SS*.THydrogen-bonded Turntrans-101.5-15-175.2-68.10000115.4T803T803-V805 PolarHBondContact O-N 3.11Å; T803-V805 VanDerWaalsContact OG1-CG2 3.32Å; T803-V805 WeakPolarHBondContact OG1-CG2 3.32Å
806D76.5Confident82.4Confident75 Ų7568.9 Ų68.940%0.40139%0.388SS..  trans-125.9119.6176.1-173.24000110.5P802 T803 T808P802-D806 VanDerWaalsContact CB-O 3.25Å; P802-D806 WeakPolarHBondContact CB-O 3.26Å; T803-D806 PolarHBondContact O-N 2.07Å; T803-D806 PolarHBondContact OG1-N 2.75Å; D806-T808 PolarHBondContact OD1-N 2.88Å; D806-T808 PolarHBondContact OD1-OG1 2.85Å
807R84.8Confident82.3Confident101 Ų10168.6 Ų68.638%0.38138%0.382SS..  trans-144.524.4-166.4-61-179.5-177.3-127.83.8112.1P804 T935 I936 N937P804-R807 PolarHBondContact O-NE 2.78Å; P804-R807 PolarHBondContact O-NH2 2.8Å; R807-T935 PolarHBondContact NH1-O 2.8Å; R807-I936 HydrophobicContact CB-CG2 4.1Å; R807-I936 WeakPolarHBondContact O-CA 3.46Å; R807-I936 WeakPolarHBondContact O-CB 3.19Å; R807-N937 PolarHBondContact O-N 3.41Å
808T82.7Confident81.9Confident75 Ų7569.7 Ų69.746%0.4640%0.397SS..EExtended strand (participates in β ladder)trans-127.1134.2-17240.60000112.6D806 N937 F939D806-T808 PolarHBondContact OD1-N 2.88Å; D806-T808 PolarHBondContact OD1-OG1 2.85Å; T808-N937 WeakPolarHBondContact CA-O 3.3Å; T808-N937 HydrophobicContact CG2-CB 4.44Å; T808-F939 HydrophobicContact CG2-CE2 3.99Å
809I83.9Confident81.7Confident29 Ų2966.7 Ų66.715%0.14938%0.38CS..EExtended strand (participates in β ladder)trans-119.9129.5175-61.7174.9000108.7L811 A821 I903 I936 N937 V938 F939I809-L811 HydrophobicContact CG2-CD2 3.89Å; I809-L811 HydrophobicContact CG2-CG 4.16Å; I809-A821 WeakPolarHBondContact CG2-O 3.36Å; I809-I903 HydrophobicContact CD1-CD1 4.12Å; I809-I936 HydrophobicContact CD1-CD1 3.95Å; I809-N937 PolarHBondContact N-O 2.9Å; I809-V938 HydrophobicContact CB-CB 4.47Å; I809-V938 HydrophobicContact CB-CG1 4.1Å; I809-V938 HydrophobicContact CB-CG2 4.21Å; I809-V938 HydrophobicContact CG2-CG1 4.08Å; I809-V938 CarbonylContact O-C 3.49Å; I809-V938 WeakPolarHBondContact O-CA 3.43Å; I809-F939 PolarHBondContact O-N 3.45Å
810N83.6Confident81.6Confident116 Ų11667.9 Ų67.962%0.6239%0.39SS*.EExtended strand (participates in β ladder)trans-110.7130.2177.6-66.3-5.1000110.4F939N810-F939 WeakPolarHBondContact OD1-CD2 3.5Å
811L86Confident81.6Confident6 Ų666 Ų663%0.03138%0.38CS..EExtended strand (participates in β ladder)trans-127.7169.5-178.9-52.2175.7000109.7I809 M815 A821 L894 V905 L909 V938 F939 I940 D941I809-L811 HydrophobicContact CG2-CD2 3.89Å; I809-L811 HydrophobicContact CG2-CG 4.16Å; L811-M815 HydrophobicContact CB-SD 3.68Å; L811-M815 HydrophobicContact CD2-CE 3.76Å; L811-M815 HydrophobicContact CD2-SD 3.66Å; L811-M815 HydrophobicContact CG-SD 4.26Å; L811-A821 HydrophobicContact CD1-CB 4.4Å; L811-A821 HydrophobicContact CD2-CB 3.84Å; L811-L894 HydrophobicContact CD1-CD2 4.08Å; L811-V905 HydrophobicContact CD1-CG2 4.44Å; L811-L909 HydrophobicContact CB-CD1 3.73Å; L811-L909 HydrophobicContact CD1-CD1 3.87Å; L811-L909 HydrophobicContact CG-CD1 4.39Å; L811-V938 HydrophobicContact CD1-CG1 3.54Å; L811-V938 HydrophobicContact CG-CG1 3.93Å; L811-F939 WeakPolarHBondContact CB-O 3.35Å; L811-F939 PolarHBondContact N-O 2.88Å; L811-I940 HydrophobicContact CB-CG1 4.28Å; L811-I940 WeakPolarHBondContact O-CA 3.3Å; L811-D941 PolarHBondContact O-N 2.9Å; L811-D941 VanDerWaalsContact O-N 3.13Å
812T81Confident81.7Confident65 Ų6562.3 Ų62.340%0.39937%0.37SS..EExtended strand (participates in β ladder)trans-131.3154.7174.670.40000111.4G814 M815 D941T812-G814 PolarHBondContact O-N 3.33Å; T812-G814 VanDerWaalsContact O-N 3.1Å; T812-G814 PolarHBondContact OG1-N 3.01Å; T812-M815 WeakPolarHBondContact O-CB 3.23Å; T812-M815 WeakPolarHBondContact O-CG 3.39Å; T812-M815 PolarHBondContact O-N 3.29Å; T812-D941 CarbonylContact C-O 3.47Å; T812-D941 WeakPolarHBondContact CA-O 3.46Å
813T85.8Confident82Confident44 Ų4468.8 Ų68.827%0.2739%0.393SS..THydrogen-bonded Turntrans-63.5-13.6174.1640000113M815 L909 I940 D941 P942T813-M815 VanDerWaalsContact C-N 3.32Å; T813-L909 WeakPolarHBondContact CB-O 2.81Å; T813-L909 WeakPolarHBondContact CG2-O 3.34Å; T813-I940 HydrophobicContact CG2-CG2 3.95Å; T813-D941 WeakPolarHBondContact CG2-O 3.44Å; T813-D941 PolarHBondContact N-O 2.83Å; T813-D941 PolarHBondContact OG1-O 2.82Å; T813-P942 WeakPolarHBondContact OG1-CA 3.44Å
814G75.4Confident82.5Confident51 Ų5167.1 Ų67.153%0.52638%0.382SS..THydrogen-bonded Turntrans-76.4-13.6171.100000114.3T812 K816T812-G814 PolarHBondContact O-N 3.33Å; T812-G814 VanDerWaalsContact O-N 3.1Å; T812-G814 PolarHBondContact OG1-N 3.01Å; G814-K816 PolarHBondContact O-N 3.35Å
815M81.8Confident83.2Confident45 Ų4568.4 Ų68.422%0.22237%0.373CS..PPolyproline II helixtrans-71117.2175.8-64179.771.800110.2L811 T812 T813 L820 V905 L909L811-M815 HydrophobicContact CB-SD 3.68Å; L811-M815 HydrophobicContact CD2-CE 3.76Å; L811-M815 HydrophobicContact CD2-SD 3.66Å; L811-M815 HydrophobicContact CG-SD 4.26Å; T812-M815 WeakPolarHBondContact O-CB 3.23Å; T812-M815 WeakPolarHBondContact O-CG 3.39Å; T812-M815 PolarHBondContact O-N 3.29Å; T813-M815 VanDerWaalsContact C-N 3.32Å; M815-L820 WeakPolarHBondContact CE-O 3.23Å; M815-V905 HydrophobicContact CE-CG2 4.24Å; M815-L909 HydrophobicContact CB-CD1 4.12Å
816K78.8Confident83.7Confident164 Ų16462.3 Ų62.371%0.71334%0.337SS*.PPolyproline II helixtrans-71.9150.1176.4-62175.6-176174.10109.8G814 S819G814-K816 PolarHBondContact O-N 3.35Å; K816-S819 WeakPolarHBondContact O-CB 3.42Å; K816-S819 PolarHBondContact O-N 3.29Å; K816-S819 VanDerWaalsContact O-N 3.13Å; K816-S819 PolarHBondContact O-OG 3.41Å
817P81.1Confident84.3Confident36 Ų3661.5 Ų61.523%0.23433%0.331CS..THydrogen-bonded Turntrans-60.3144.2171.5-16.330.7000110.3V861 V905P817-V861 HydrophobicContact CB-CG2 3.72Å; P817-V861 HydrophobicContact CG-CG2 3.62Å; P817-V905 CarbonylContact C-O 3.49Å; P817-V905 WeakPolarHBondContact CA-O 3.44Å
818G80.2Confident84.5Confident42 Ų4258.5 Ų58.543%0.43332%0.322SS..THydrogen-bonded Turntrans90.3-0.2-163.800000114.6V905G818-V905 PolarHBondContact N-O 3.36Å
819S83.3Confident84.6Confident34 Ų3457.9 Ų57.924%0.23833%0.325CS..  trans-75.9141.4170.6-57.20000111.3K816 V905K816-S819 WeakPolarHBondContact O-CB 3.42Å; K816-S819 PolarHBondContact O-N 3.29Å; K816-S819 VanDerWaalsContact O-N 3.13Å; K816-S819 PolarHBondContact O-OG 3.41Å; S819-V905 WeakPolarHBondContact O-CB 3.41Å; S819-V905 WeakPolarHBondContact O-CG2 3.47Å; S819-V905 PolarHBondContact O-N 2.64Å
820L86.8Confident84.8Confident80 Ų8057.1 Ų57.142%0.41932%0.321SS..EExtended strand (participates in β ladder)trans-72.8147170.3-173.171000110.8M815 E902 I903 W904M815-L820 WeakPolarHBondContact CE-O 3.23Å; L820-E902 HydrophobicContact CD1-CB 4.19Å; L820-E902 HydrophobicContact CD1-CG 4.46Å; L820-I903 WeakPolarHBondContact CD1-O 3.37Å; L820-W904 HydrophobicContact CB-CE3 4.22Å; L820-W904 HydrophobicContact CB-CH2 4.49Å; L820-W904 HydrophobicContact CB-CZ3 4.14Å; L820-W904 HydrophobicContact CD1-CD2 3.82Å; L820-W904 HydrophobicContact CD1-CE3 4.22Å; L820-W904 HydrophobicContact CD1-CG 4.28Å; L820-W904 HydrophobicContact CD1-CH2 4.23Å; L820-W904 HydrophobicContact CD1-CZ2 3.82Å; L820-W904 HydrophobicContact CD1-CZ3 4.41Å
821A86Confident84.7Confident18 Ų1852.9 Ų52.915%0.14930%0.301CS..EExtended strand (participates in β ladder)trans-123.8-26.2-179.600000114.7I809 L811 L894 I903 V905I809-A821 WeakPolarHBondContact CG2-O 3.36Å; L811-A821 HydrophobicContact CD1-CB 4.4Å; L811-A821 HydrophobicContact CD2-CB 3.84Å; A821-L894 HydrophobicContact CB-CD2 4.25Å; A821-I903 WeakPolarHBondContact CA-O 3.31Å; A821-I903 HydrophobicContact CB-CB 4.41Å; A821-I903 HydrophobicContact CB-CG2 4.17Å; A821-I903 WeakPolarHBondContact CB-O 3.22Å; A821-I903 PolarHBondContact N-O 2.84Å; A821-V905 HydrophobicContact CB-CG2 4.29Å
822G85Confident84.4Confident19 Ų1960.5 Ų60.520%0.19633%0.334CS..EExtended strand (participates in β ladder)trans179.7-179.8179.300000115.3E902 I903G822-E902 CarbonylContact O-C 3.45Å; G822-E902 WeakPolarHBondContact O-CA 3.45Å; G822-I903 PolarHBondContact N-O 3.1Å; G822-I903 VanDerWaalsContact N-O 3.14Å; G822-I903 PolarHBondContact O-N 2.94Å
823R87.6Confident84.2Confident148 Ų14861.9 Ų61.956%0.55834%0.336SS*.  trans-150.2158.5174.7-159.6-177.6-82.1179.6-7.4112.1F801 T900 G901 E902F801-R823 VanDerWaalsContact CD1-O 3.3Å; F801-R823 WeakPolarHBondContact CD1-O 3.47Å; F801-R823 WeakPolarHBondContact CE1-O 3.41Å; R823-T900 WeakPolarHBondContact CG-O 3.47Å; R823-G901 CarbonylContact C-O 3.52Å; R823-G901 VanDerWaalsContact CA-O 3.23Å; R823-G901 WeakPolarHBondContact CA-O 3.44Å; R823-E902 HydrophobicContact CG-CG 3.9Å; R823-E902 IonicContact CZ-OE1 2.73Å; R823-E902 IonicContact NE-OE1 3.11Å; R823-E902 PolarHBondContact NE-OE1 3.04Å; R823-E902 IonicContact NH2-OE1 2.66Å; R823-E902 PolarHBondContact NH2-OE1 2.88Å
824L89.6Confident83.9Confident12 Ų1260.2 Ų60.26%0.06333%0.327CS..  trans-125.2165.9-177.2-48.8173.9000112.8F801 P802 L896 G901 L918F801-L824 CarbonylContact O-C 3.56Å; F801-L824 WeakPolarHBondContact O-CA 3.27Å; P802-L824 HydrophobicContact CG-CD2 3.97Å; L824-L896 HydrophobicContact CD1-CD1 3.88Å; L824-L896 HydrophobicContact CD1-CD2 4.38Å; L824-G901 WeakPolarHBondContact CG-O 3.39Å; L824-G901 PolarHBondContact N-O 2.81Å; L824-G901 VanDerWaalsContact N-O 3.1Å; L824-L918 HydrophobicContact CD1-CD1 4Å; L824-L918 HydrophobicContact CD1-CD2 3.61Å; L824-L918 HydrophobicContact CD1-CG 4.41Å; L824-L918 HydrophobicContact CD2-CD1 3.69Å
825R90Very high84.2Confident135 Ų13559.2 Ų59.251%0.50932%0.316SS..EExtended strand (participates in β ladder)trans-163.1144.5178.3-173.8-179.3167.7148.7-2.7116.9V800 F801 E827 Y839V800-R825 HydrophobicContact CB-CB 4.13Å; V800-R825 HydrophobicContact CB-CG 3.87Å; V800-R825 HydrophobicContact CG1-CG 4.3Å; V800-R825 HydrophobicContact CG2-CG 4.29Å; V800-R825 PolarHBondContact N-O 3.46Å; F801-R825 HydrophobicContact CB-CB 4.34Å; F801-R825 PolarHBondContact N-O 2.88Å; F801-R825 VanDerWaalsContact N-O 3.14Å; F801-R825 PolarHBondContact O-N 3.49Å; R825-E827 IonicContact CZ-OE1 2.63Å; R825-E827 IonicContact NE-OE1 2.74Å; R825-E827 PolarHBondContact NE-OE1 2.75Å; R825-E827 IonicContact NH2-OE1 3.67Å; R825-E827 PolarHBondContact NH2-OE1 3.28Å; R825-Y839 WeakPolarHBondContact CA-OH 3.41Å
826A87.9Confident84.2Confident13 Ų1361.1 Ų61.111%0.10732%0.323CS..EExtended strand (participates in β ladder)trans-146.1169.8170.400000113.8V798 W799 V837 Y839 A920V798-A826 CarbonylContact O-C 3.51Å; V798-A826 VanDerWaalsContact O-CA 3.23Å; V798-A826 WeakPolarHBondContact O-CA 3.25Å; V798-A826 VanDerWaalsContact O-CB 3.3Å; V798-A826 WeakPolarHBondContact O-CB 3.34Å; W799-A826 HydrophobicContact CE3-CB 4.12Å; A826-V837 HydrophobicContact CB-CG1 3.89Å; A826-Y839 HydrophobicContact CB-CE1 4.05Å; A826-Y839 PolarHBondContact N-OH 3.31Å; A826-A920 HydrophobicContact CB-CB 4.49Å
827E88.5Confident84.5Confident59 Ų5955.1 Ų55.128%0.27630%0.3SS..EExtended strand (participates in β ladder)trans-147.4155.7-171.8-69.4174.6-170.400114R702 P797 V798 V800 R825R702-E827 IonicContact NH2-OE2 2.91Å; R702-E827 PolarHBondContact NH2-OE2 3.39Å; P797-E827 CarbonylContact C-O 3.56Å; P797-E827 WeakPolarHBondContact CA-O 3.26Å; V798-E827 PolarHBondContact N-O 2.79Å; V798-E827 PolarHBondContact O-N 2.86Å; V800-E827 HydrophobicContact CG2-CB 4.41Å; V800-E827 HydrophobicContact CG2-CG 3.82Å; R825-E827 IonicContact CZ-OE1 2.63Å; R825-E827 IonicContact NE-OE1 2.74Å; R825-E827 PolarHBondContact NE-OE1 2.75Å; R825-E827 IonicContact NH2-OE1 3.67Å; R825-E827 PolarHBondContact NH2-OE1 3.28Å
828D88.8Confident84.7Confident37 Ų3756.3 Ų56.320%0.19830%0.302CS..  trans-142.6173.2172.8-157.6-35.8000110.3A796 P797A796-D828 WeakPolarHBondContact CA-OD1 3.45Å; A796-D828 WeakPolarHBondContact CA-OD2 3.37Å; A796-D828 PolarHBondContact N-OD1 3.33Å; P797-D828 HydrophobicContact CB-CB 4.24Å; P797-D828 WeakPolarHBondContact CD-OD2 3.4Å; P797-D828 WeakPolarHBondContact CG-OD2 3.25Å
829A85.2Confident85.1Confident62 Ų6255.4 Ų55.451%0.51229%0.286SS..  trans-117.3-24.6-169.100000116.7N795N795-A829 HydrophobicContact CB-CB 4.1Å
830D88.4Confident85.3Confident13 Ų1354.8 Ų54.87%0.0728%0.28CS..SBendtrans-67.2175.4175.6-87.9-33.8000112.6N793 D794 N795 A834N793-D830 PolarHBondContact OD1-OD2 2.97Å; D794-D830 PolarHBondContact N-OD1 2.78Å; D794-D830 PolarHBondContact N-OD2 3.22Å; N795-D830 WeakPolarHBondContact CA-OD2 3.39Å; N795-D830 HydrophobicContact CB-CB 4.38Å; N795-D830 PolarHBondContact N-OD2 3.13Å; N795-D830 PolarHBondContact ND2-OD1 2.93Å; D830-A834 HydrophobicContact CB-CB 3.49Å; D830-A834 VanDerWaalsContact CB-CB 3.49Å
831S81.4Confident85.3Confident27 Ų2751.1 Ų51.119%0.18926%0.261CS..SBendtrans-99.8154.7176.9-59.90000113.4R759 E833R759-S831 PolarHBondContact NH1-OG 3.14Å; R759-S831 VanDerWaalsContact NH1-OG 3.1Å; S831-E833 PolarHBondContact O-N 3.4Å
832F79.6Confident85.2Confident167 Ų16751.8 Ų51.873%0.73226%0.262SS*.G310 helixtrans58.7-127.8177.7-52.7-80.5000113.7A834 G835F832-A834 VanDerWaalsContact C-N 3.29Å; F832-A834 PolarHBondContact O-N 2.99Å; F832-G835 PolarHBondContact O-N 3.23Å; F832-G835 VanDerWaalsContact O-N 3.09Å
833E77.9Confident84.7Confident93 Ų9351.1 Ų51.144%0.43525%0.254SS..G310 helixtrans-67.3-28.7-174.1-56.6-56138.600112.8S831 G835 K836 Q923 G924S831-E833 PolarHBondContact O-N 3.4Å; E833-G835 PolarHBondContact O-N 3.5Å; E833-G835 VanDerWaalsContact O-N 3.17Å; E833-K836 WeakPolarHBondContact OE1-CE 3.43Å; E833-K836 IonicContact OE1-NZ 3.8Å; E833-K836 PolarHBondContact OE1-NZ 2.85Å; E833-K836 WeakPolarHBondContact OE2-CE 3.21Å; E833-K836 IonicContact OE2-NZ 3.87Å; E833-K836 PolarHBondContact OE2-NZ 2.85Å; E833-Q923 WeakPolarHBondContact CB-O 3.42Å; E833-Q923 CarbonylContact O-C 3.55Å; E833-Q923 WeakPolarHBondContact O-CA 3.19Å; E833-Q923 WeakPolarHBondContact O-CB 3.28Å; E833-G924 PolarHBondContact O-N 2.99Å
834A78.5Confident84Confident10 Ų1049.7 Ų49.78%0.08327%0.265CS..G310 helixtrans-70.3-3.3173.400000113.3D830 F832D830-A834 HydrophobicContact CB-CB 3.49Å; D830-A834 VanDerWaalsContact CB-CB 3.49Å; F832-A834 VanDerWaalsContact C-N 3.29Å; F832-A834 PolarHBondContact O-N 2.99Å
835G81.2Confident83.2Confident29 Ų2960 Ų6030%0.29930%0.302SS..G310 helixtrans-112.79.9-179.900000116.7F832 E833F832-G835 PolarHBondContact O-N 3.23Å; F832-G835 VanDerWaalsContact O-N 3.09Å; E833-G835 PolarHBondContact O-N 3.5Å; E833-G835 VanDerWaalsContact O-N 3.17Å
836K82Confident82.1Confident86 Ų8655.7 Ų55.737%0.37430%0.3SS..  trans-104.1153-172.8-66.8-179.1-171.6168.20113.7E833 D922 Q923E833-K836 WeakPolarHBondContact OE1-CE 3.43Å; E833-K836 IonicContact OE1-NZ 3.8Å; E833-K836 PolarHBondContact OE1-NZ 2.85Å; E833-K836 WeakPolarHBondContact OE2-CE 3.21Å; E833-K836 IonicContact OE2-NZ 3.87Å; E833-K836 PolarHBondContact OE2-NZ 2.85Å; K836-D922 WeakPolarHBondContact O-CA 3.39Å; K836-Q923 HydrophobicContact CB-CB 4.46Å; K836-Q923 HydrophobicContact CB-CG 4.24Å
837V85.3Confident81.8Confident37 Ų3758.8 Ų58.822%0.22431%0.312CS..  trans-139.9144.5-177.7-164.10000113.1A826 A920 E921A826-V837 HydrophobicContact CB-CG1 3.89Å; V837-A920 HydrophobicContact CG1-CB 3.73Å; V837-E921 WeakPolarHBondContact CA-O 3.06Å
838E85.5Confident80.9Confident61 Ų6161 Ų6129%0.28533%0.331SS..EExtended strand (participates in β ladder)trans-124.7154-179-177.9164.7-137.500112.4A920E838-A920 VanDerWaalsContact O-CA 3.3Å; E838-A920 WeakPolarHBondContact O-CA 3.35Å
839Y89.1Confident80.3Confident24 Ų2461.2 Ų61.29%0.09433%0.331CS..EExtended strand (participates in β ladder)trans-122.3145.2-177.9-49.3-74.7000114.1W799 R825 A826 G898W799-Y839 HydrophobicContact CH2-CD1 4.15Å; W799-Y839 AromaticContact CZ3-CD1 3.8Å; W799-Y839 HydrophobicContact CZ3-CD1 3.8Å; W799-Y839 AromaticContact CZ3-CE1 3.87Å; W799-Y839 HydrophobicContact CZ3-CE1 3.87Å; R825-Y839 WeakPolarHBondContact CA-OH 3.41Å; A826-Y839 HydrophobicContact CB-CE1 4.05Å; A826-Y839 PolarHBondContact N-OH 3.31Å; Y839-G898 WeakPolarHBondContact CB-O 3.35Å; Y839-G898 WeakPolarHBondContact CD2-O 3.43Å; Y839-G898 PolarHBondContact N-O 3.43Å; Y839-G898 WeakPolarHBondContact O-CA 3.41Å
840L87Confident80.1Confident21 Ų2166.3 Ų66.311%0.1134%0.344CS..EExtended strand (participates in β ladder)trans-136147.3-179.1-5491.2000112.9Y889 L918 R919L840-Y889 HydrophobicContact CB-CE2 4.26Å; L840-Y889 HydrophobicContact CG-CE2 4.47Å; L840-L918 WeakPolarHBondContact O-CA 3.23Å; L840-R919 HydrophobicContact CD1-CB 4.28Å; L840-R919 HydrophobicContact CD1-CG 4.44Å; L840-R919 PolarHBondContact N-O 3.14Å; L840-R919 PolarHBondContact O-N 2.75Å
841F87.6Confident79.5Confident2 Ų266.9 Ų66.91%0.00935%0.353CS..EExtended strand (participates in β ladder)trans-86.7139.7158.7-90.6-22.7000109.7I849 Y889 A891 L896 I903 L916 H917 L918F841-I849 HydrophobicContact CB-CD1 4.08Å; F841-Y889 HydrophobicContact CB-CG 4.16Å; F841-Y889 WeakPolarHBondContact CD2-O 3.35Å; F841-A891 HydrophobicContact CD2-CB 3.76Å; F841-A891 HydrophobicContact CE2-CB 3.54Å; F841-A891 HydrophobicContact CZ-CB 4.28Å; F841-L896 HydrophobicContact CB-CD2 4.08Å; F841-L896 HydrophobicContact CD1-CB 4.03Å; F841-L896 HydrophobicContact CD1-CD2 3.53Å; F841-L896 HydrophobicContact CD1-CG 4.37Å; F841-L896 HydrophobicContact CD2-CB 3.48Å; F841-L896 VanDerWaalsContact CD2-CB 3.48Å; F841-L896 HydrophobicContact CD2-CD2 4.21Å; F841-L896 HydrophobicContact CD2-CG 4.49Å; F841-L896 HydrophobicContact CE1-CB 3.89Å; F841-L896 HydrophobicContact CE1-CD2 3.99Å; F841-L896 HydrophobicContact CE1-CG 4.44Å; F841-L896 HydrophobicContact CE2-CB 3.35Å; F841-L896 HydrophobicContact CG-CB 3.82Å; F841-L896 HydrophobicContact CG-CD2 3.62Å; F841-L896 HydrophobicContact CG-CG 4.37Å; F841-L896 HydrophobicContact CZ-CB 3.56Å; F841-I903 HydrophobicContact CE1-CD1 4.33Å; F841-I903 HydrophobicContact CZ-CD1 4.37Å; F841-I903 HydrophobicContact CZ-CG1 4.37Å; F841-I903 HydrophobicContact CZ-CG2 4.3Å; F841-L916 HydrophobicContact CE1-CB 4Å; F841-L916 HydrophobicContact CE1-CD1 3.88Å; F841-L916 HydrophobicContact CE1-CD2 4.05Å; F841-L916 HydrophobicContact CE1-CG 4.2Å; F841-L916 HydrophobicContact CE2-CD2 4.36Å; F841-L916 HydrophobicContact CZ-CD1 3.83Å; F841-L916 HydrophobicContact CZ-CD2 3.86Å; F841-L916 HydrophobicContact CZ-CG 4.31Å; F841-H917 WeakPolarHBondContact CA-O 3.35Å; F841-L918 HydrophobicContact CD1-CD2 3.71Å; F841-L918 HydrophobicContact CE1-CD2 4.09Å
842L83Confident79.3Confident33 Ų3367 Ų6717%0.17335%0.352CS..EExtended strand (participates in β ladder)trans-111.6149.3171.4-49.7173.8000110.9E847 H917 R919L842-E847 CarbonylContact C-O 3.48Å; L842-E847 VanDerWaalsContact CA-O 3.3Å; L842-E847 WeakPolarHBondContact CA-O 3.4Å; L842-H917 HydrophobicContact CB-CB 3.83Å; L842-H917 PolarHBondContact N-O 2.84Å; L842-R919 HydrophobicContact CD1-CB 4.41Å
843G74.9Confident79.1Confident4 Ų460.1 Ų60.14%0.04132%0.324CS..  trans-75.3-178.6178.700000113.9R845 G846 E847 H917G843-R845 PolarHBondContact O-N 2.83Å; G843-G846 PolarHBondContact O-N 2.68Å; G843-E847 WeakPolarHBondContact CA-OE2 3.3Å; G843-E847 PolarHBondContact N-O 3.15Å; G843-H917 PolarHBondContact O-CD2 3.21Å
844P72.1Confident78.6Confident119 Ų11960.5 Ų60.577%0.77333%0.329SS*.THydrogen-bonded Turntrans-63.6-3.1-173.5-22.634.8000116.2
845R72.7Confident78Confident227 Ų22767.7 Ų67.786%0.85736%0.36SS*.THydrogen-bonded Turntrans-125.76.5179-45.1-179.7-170.9-176.44.7112.2G843 E847G843-R845 PolarHBondContact O-N 2.83Å; R845-E847 VanDerWaalsContact CA-OE2 3.28Å; R845-E847 WeakPolarHBondContact CA-OE2 3.4Å; R845-E847 WeakPolarHBondContact CB-OE2 3.48Å; R845-E847 PolarHBondContact N-OE2 3.08Å
846G68.3Low77.4Confident45 Ų4572.1 Ų72.146%0.46437%0.373SS..SBendtrans81.811.3-171.900000114.4G843G843-G846 PolarHBondContact O-N 2.68Å
847E80.2Confident76.7Confident78 Ų7868 Ų6836%0.36436%0.356SS..PPolyproline II helixtrans-70.1148.8174.368.1-85.5-120.500111.7L842 G843 R845 I849L842-E847 CarbonylContact C-O 3.48Å; L842-E847 VanDerWaalsContact CA-O 3.3Å; L842-E847 WeakPolarHBondContact CA-O 3.4Å; G843-E847 WeakPolarHBondContact CA-OE2 3.3Å; G843-E847 PolarHBondContact N-O 3.15Å; R845-E847 VanDerWaalsContact CA-OE2 3.28Å; R845-E847 WeakPolarHBondContact CA-OE2 3.4Å; R845-E847 WeakPolarHBondContact CB-OE2 3.48Å; R845-E847 PolarHBondContact N-OE2 3.08Å; E847-I849 PolarHBondContact O-N 2.87Å
848T70.6Confident75.8Confident107 Ų10768.8 Ų68.866%0.65636%0.358SS*.BIsolated β-bridgetrans-66.9121.7171.6490000109.6
849I76.3Confident74.4Confident41 Ų4172.6 Ų72.621%0.2138%0.38CS..PPolyproline II helixtrans-68.9140.2170.3-74.7165.4000108.7F841 E847 Y889F841-I849 HydrophobicContact CB-CD1 4.08Å; E847-I849 PolarHBondContact O-N 2.87Å; I849-Y889 HydrophobicContact CB-CD1 4.31Å; I849-Y889 HydrophobicContact CG2-CD1 4.29Å; I849-Y889 WeakPolarHBondContact O-CD1 3.37Å; I849-Y889 WeakPolarHBondContact O-CE1 3.4Å
850E80.5Confident72.7Confident169 Ų16978.2 Ų78.279%0.7941%0.411SS*.PPolyproline II helixtrans-64.2138.6176.7-171.6166.5-154.600110.4V852E850-V852 WeakPolarHBondContact O-CG2 3.15Å
851G75.9Confident71.2Confident24 Ų2481.5 Ų81.525%0.24743%0.432CS..EExtended strand (participates in β ladder)trans-63.3140.6178.900000111.6L886 G888G851-L886 WeakPolarHBondContact CA-O 3.41Å; G851-G888 CarbonylContact C-O 3.48Å; G851-G888 WeakPolarHBondContact CA-O 3.22Å
852V76.5Confident69.6Low29 Ų2988.7 Ų88.718%0.17647%0.47CS..EExtended strand (participates in β ladder)trans-132.5132.7-175.1-164.30000108.4E850 E856 G888 R890E850-V852 WeakPolarHBondContact O-CG2 3.15Å; V852-E856 HydrophobicContact CG1-CB 3.7Å; V852-G888 PolarHBondContact N-O 3.34Å; V852-G888 CarbonylContact O-C 3.56Å; V852-G888 VanDerWaalsContact O-CA 3.29Å; V852-G888 WeakPolarHBondContact O-CA 3.3Å; V852-R890 HydrophobicContact CB-CB 4.41Å; V852-R890 HydrophobicContact CG2-CB 3.93Å
853T75.1Confident68.1Low24 Ų2494.5 Ų94.515%0.14750%0.501CS..  trans-68.3157.6177.665.50000111.8E855 E856 G857 D885 L886T853-E855 PolarHBondContact O-N 2.92Å; T853-E856 WeakPolarHBondContact CB-OE2 3.36Å; T853-E856 WeakPolarHBondContact CG2-OE2 3.34Å; T853-E856 PolarHBondContact N-OE2 2.91Å; T853-E856 VanDerWaalsContact N-OE2 3.1Å; T853-E856 PolarHBondContact O-N 2.89Å; T853-E856 WeakPolarHBondContact OG1-CB 3.27Å; T853-E856 VanDerWaalsContact OG1-CD 3.24Å; T853-E856 VanDerWaalsContact OG1-CG 3.23Å; T853-E856 WeakPolarHBondContact OG1-CG 3.49Å; T853-E856 PolarHBondContact OG1-N 2.85Å; T853-E856 PolarHBondContact OG1-OE2 3.21Å; T853-G857 PolarHBondContact O-N 3.28Å; T853-D885 WeakPolarHBondContact CA-O 3.35Å; T853-D885 HydrophobicContact CG2-CB 4.17Å; T853-L886 HydrophobicContact CG2-CD2 4.39Å
854L68.6Low66.6Low101 Ų10199.8 Ų99.853%0.52954%0.535SS..Hα-helixtrans-58-36.3177.1-174.667.1000112.1G857 L858 Y895L854-G857 PolarHBondContact O-N 3.48Å; L854-L858 HydrophobicContact CD1-CD1 3.85Å; L854-L858 HydrophobicContact CG-CD1 4.32Å; L854-Y895 HydrophobicContact CD1-CD1 4.43Å; L854-Y895 HydrophobicContact CD1-CE1 3.63Å
855E65.2Low65.1Low160 Ų160100.2 Ų100.275%0.74854%0.538SS*.Hα-helixtrans-68.6-47.9177.8-60.9-16415900111.9T853 G857 L858T853-E855 PolarHBondContact O-N 2.92Å; E855-G857 PolarHBondContact O-N 3.36Å; E855-L858 PolarHBondContact O-N 2.79Å
856E69.8Low63.4Low122 Ų12299.1 Ų99.157%0.5754%0.539SS*.Hα-helixtrans-64-29.8175.2-69.6165.7135.600112.2V852 T853 L858V852-E856 HydrophobicContact CG1-CB 3.7Å; T853-E856 WeakPolarHBondContact CB-OE2 3.36Å; T853-E856 WeakPolarHBondContact CG2-OE2 3.34Å; T853-E856 PolarHBondContact N-OE2 2.91Å; T853-E856 VanDerWaalsContact N-OE2 3.1Å; T853-E856 PolarHBondContact O-N 2.89Å; T853-E856 WeakPolarHBondContact OG1-CB 3.27Å; T853-E856 VanDerWaalsContact OG1-CD 3.24Å; T853-E856 VanDerWaalsContact OG1-CG 3.23Å; T853-E856 WeakPolarHBondContact OG1-CG 3.49Å; T853-E856 PolarHBondContact OG1-N 2.85Å; T853-E856 PolarHBondContact OG1-OE2 3.21Å; E856-L858 PolarHBondContact O-N 2.97Å
857G66.6Low61.9Low0 Ų0103.2 Ų103.20%056%0.557CS.*Hα-helixtrans-60.1-43.1177.100000113.8T853 L854 E855 R890 A906T853-G857 PolarHBondContact O-N 3.28Å; L854-G857 PolarHBondContact O-N 3.48Å; E855-G857 PolarHBondContact O-N 3.36Å; G857-R890 PolarHBondContact O-NE 3.13Å; G857-R890 PolarHBondContact O-NH2 2.87Å; G857-A906 WeakPolarHBondContact O-CB 3.38Å
858L66Low59.7Low53 Ų53102.9 Ų102.928%0.27758%0.575SS.*Hα-helixtrans-108.90.1-162.4-83.3149.4000115.5L854 E855 E856 N860L854-L858 HydrophobicContact CD1-CD1 3.85Å; L854-L858 HydrophobicContact CG-CD1 4.32Å; E855-L858 PolarHBondContact O-N 2.79Å; E856-L858 PolarHBondContact O-N 2.97Å; L858-N860 PolarHBondContact O-N 3.39Å
859L56.9Low57.7Low141 Ų141105.5 Ų105.574%0.73858%0.584SS**THydrogen-bonded Turntrans-76.985.8-164.2-157.678.1000115.1
860N53.8Low55.5Low142 Ų142110.1 Ų110.176%0.75961%0.614SS**THydrogen-bonded Turntrans-154.1-2.7162.2-111.7-43.5000116.4L858L858-N860 PolarHBondContact O-N 3.39Å
861V54.3Low53.1Low90 Ų90111 Ų11155%0.54562%0.616SS.*SBendtrans-104.9-21.7-168.5173.30000114.8P817P817-V861 HydrophobicContact CB-CG2 3.72Å; P817-V861 HydrophobicContact CG-CG2 3.62Å
862L55.2Low50.8Low154 Ų154116.1 Ų116.181%0.80664%0.642SS**SBendtrans-102.5-21.8-160-69.6170.6000116.9
863N50.9Low48.6Very low155 Ų155120.9 Ų120.983%0.82967%0.671SS**  trans-162.7127.3173.4-93.8-58.9000113.2
864P42.1Very low46.4Very low115 Ų115128.7 Ų128.775%0.74770%0.703SS**PPolyproline II helixtrans-82.2146.5165.433.1-32.8000111.7
865P41.4Very low44.5Very low128 Ų128130.6 Ų130.683%0.83172%0.721SS**PPolyproline II helixtrans-78.9134.8-169.530.2-35.4000113.9
866K38.1Very low43Very low203 Ų203126.8 Ų126.888%0.88373%0.725SS**PPolyproline II helixtrans-82.3133.2162.5-79.5-176.5177175.60110.2
867P35.3Very low41Very low131 Ų131130 Ų13085%0.85174%0.74SS**PPolyproline II helixtrans-77.8147.6-17931.7-35.1000112.1
868G33.6Very low39.4Very low71 Ų71140.1 Ų140.173%0.73278%0.784SS**  trans108.151159.200000118.1
869L30.2Very low37.6Very low162 Ų162145.4 Ų145.485%0.84881%0.812SS**  trans-144.378.2152.5-149.478.5000113.1K871L869-K871 PolarHBondContact O-N 2.9Å
870T28.8Very low36.2Very low138 Ų138144.1 Ų144.185%0.84782%0.815SS**  trans-7498.8174.634.50000111.9
871K30.1Very low35.1Very low188 Ų188140.9 Ų140.982%0.81780%0.803SS**  trans-103.693.4162.1-89.3-169.5173.2-178.60111L869 V873L869-K871 PolarHBondContact O-N 2.9Å; K871-V873 PolarHBondContact O-N 3.48Å
872T28Very low34.2Very low131 Ų131141.5 Ų141.580%0.80480%0.803SS**  trans-78.8103173.326.50000111.9
873V31.1Very low33.7Very low130 Ų130138.7 Ų138.779%0.78880%0.796SS**  trans-129.688.1164.1-175.70000106.2K871K871-V873 PolarHBondContact O-N 3.48Å
874K28.3Very low33.7Very low188 Ų188135.7 Ų135.782%0.81778%0.781SS**  68.9124.899-76.2-169.4174.6-175.80113.5
875P28.6Very low34.1Very low140 Ų140133.9 Ų133.991%0.90976%0.764SS**SBendtrans-79.2148.1-168.933.3-36.5000112.7
876G34.2Very low34.8Very low80 Ų80131.2 Ų131.283%0.82574%0.743SS**  trans156.6-26.8169.400000115.5
877Q28.6Very low36.2Very low191 Ų191124.4 Ų124.489%0.89371%0.713SS**  trans-93.8112176.7-72.7178.1-41.600110.4L879Q877-L879 PolarHBondContact O-N 2.87Å
878K31.5Very low38.2Very low211 Ų211118.2 Ų118.292%0.91767%0.673SS**  trans-66.8117.5155.2-85.3-169.7169.3-167.70107
879L28.8Very low40.6Very low164 Ų164116.1 Ų116.186%0.85964%0.644SS**  trans-71.1140.5163.3-14574.4000107.9Q877 S881Q877-L879 PolarHBondContact O-N 2.87Å; L879-S881 PolarHBondContact O-N 2.6Å
880S28.1Very low43Very low115 Ų115112 Ų11280%0.80462%0.616SS**  trans-85.896.317751.90000110.2
881S30.3Very low45.5Very low73 Ų73106.2 Ų106.251%0.5158%0.583SS.*  trans-84.4143.2147.9450000108.6L879L879-S881 PolarHBondContact O-N 2.6Å
882N35.5Very low47.7Very low104 Ų10499.4 Ų99.456%0.55657%0.566SS**  trans-72.1155.4175.8-75.6-40.7000110.5D884 D885N882-D884 HydrophobicContact CB-CB 4.44Å; N882-D884 PolarHBondContact O-N 3.21Å; N882-D885 PolarHBondContact N-OD2 3.21Å; N882-D885 WeakPolarHBondContact O-CB 3.28Å; N882-D885 PolarHBondContact O-N 3.41Å; N882-D885 VanDerWaalsContact O-N 3.08Å
883S44.9Very low50.4Low94 Ų9494 Ų9466%0.65753%0.534SS*.THydrogen-bonded Turntrans-61.4-24.5167.442.90000112.7L886S883-L886 PolarHBondContact O-N 3Å
884D49.4Very low53.1Low93 Ų9387.9 Ų87.950%0.49750%0.497SS..THydrogen-bonded Turntrans-72.3-28.8173-66.3-70.1000113.3N882 L886 K887N882-D884 HydrophobicContact CB-CB 4.44Å; N882-D884 PolarHBondContact O-N 3.21Å; D884-L886 PolarHBondContact O-N 3.48Å; D884-K887 WeakPolarHBondContact O-CB 3.36Å; D884-K887 PolarHBondContact O-N 3.35Å; D884-K887 WeakPolarHBondContact OD1-CE 3.46Å; D884-K887 IonicContact OD1-NZ 3.59Å; D884-K887 PolarHBondContact OD1-NZ 3.03Å
885D50.6Low55.9Low76 Ų7679.4 Ų79.441%0.40646%0.459SS..THydrogen-bonded Turntrans-67.4-21.3176.1-57.1-32000111.7T853 N882T853-D885 WeakPolarHBondContact CA-O 3.35Å; T853-D885 HydrophobicContact CG2-CB 4.17Å; N882-D885 PolarHBondContact N-OD2 3.21Å; N882-D885 WeakPolarHBondContact O-CB 3.28Å; N882-D885 PolarHBondContact O-N 3.41Å; N882-D885 VanDerWaalsContact O-N 3.08Å
886L57.5Low58.8Low73 Ų7372.7 Ų72.738%0.38242%0.416SS..THydrogen-bonded Turntrans-88.15.4-179.2-67.5170000113.8G851 T853 S883 D884 G888G851-L886 WeakPolarHBondContact CA-O 3.41Å; T853-L886 HydrophobicContact CG2-CD2 4.39Å; S883-L886 PolarHBondContact O-N 3Å; D884-L886 PolarHBondContact O-N 3.48Å; L886-G888 PolarHBondContact O-N 3.37Å; L886-G888 VanDerWaalsContact O-N 3.1Å
887K66.2Low61.3Low60 Ų6070.6 Ų70.626%0.26139%0.386SS..  trans-76.413.7-179.9-70.5179.3168.7168.10114.5D884 G898 T899D884-K887 WeakPolarHBondContact O-CB 3.36Å; D884-K887 PolarHBondContact O-N 3.35Å; D884-K887 WeakPolarHBondContact OD1-CE 3.46Å; D884-K887 IonicContact OD1-NZ 3.59Å; D884-K887 PolarHBondContact OD1-NZ 3.03Å; K887-G898 PolarHBondContact O-N 3.1Å; K887-T899 HydrophobicContact CB-CG2 4.36Å; K887-T899 HydrophobicContact CD-CG2 3.7Å
888G77Confident63.9Low1 Ų161.5 Ų61.51%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-95.6149.8167.200000112.4G851 V852 L886 Y895 L896G851-G888 CarbonylContact C-O 3.48Å; G851-G888 WeakPolarHBondContact CA-O 3.22Å; V852-G888 PolarHBondContact N-O 3.34Å; V852-G888 CarbonylContact O-C 3.56Å; V852-G888 VanDerWaalsContact O-CA 3.29Å; V852-G888 WeakPolarHBondContact O-CA 3.3Å; L886-G888 PolarHBondContact O-N 3.37Å; L886-G888 VanDerWaalsContact O-N 3.1Å; G888-Y895 WeakPolarHBondContact CA-OH 3.19Å; G888-L896 CarbonylContact C-O 3.58Å; G888-L896 VanDerWaalsContact CA-O 3.3Å; G888-L896 WeakPolarHBondContact CA-O 3.49Å
889Y84.6Confident66.4Low27 Ų2755.4 Ų55.411%0.10632%0.324CS..EExtended strand (participates in β ladder)trans-132.9124.2175.8-56.8-82.2000110.8L840 F841 I849 Y895 L896L840-Y889 HydrophobicContact CB-CE2 4.26Å; L840-Y889 HydrophobicContact CG-CE2 4.47Å; F841-Y889 HydrophobicContact CB-CG 4.16Å; F841-Y889 WeakPolarHBondContact CD2-O 3.35Å; I849-Y889 HydrophobicContact CB-CD1 4.31Å; I849-Y889 HydrophobicContact CG2-CD1 4.29Å; I849-Y889 WeakPolarHBondContact O-CD1 3.37Å; I849-Y889 WeakPolarHBondContact O-CE1 3.4Å; Y889-Y895 CarbonylContact O-C 3.56Å; Y889-Y895 WeakPolarHBondContact O-CA 3.49Å; Y889-L896 HydrophobicContact CD2-CD2 4.19Å; Y889-L896 HydrophobicContact CD2-CG 4.47Å; Y889-L896 PolarHBondContact N-O 2.81Å; Y889-L896 PolarHBondContact O-N 3.47Å
890R80.7Confident69Low74 Ų7450.2 Ų50.228%0.27930%0.299SS..EExtended strand (participates in β ladder)trans-101.2122.4-175.5-158.6-179.7-168.7-78.5-2.8112V852 G857 G892V852-R890 HydrophobicContact CB-CB 4.41Å; V852-R890 HydrophobicContact CG2-CB 3.93Å; G857-R890 PolarHBondContact O-NE 3.13Å; G857-R890 PolarHBondContact O-NH2 2.87Å; R890-G892 PolarHBondContact NH1-O 3.41Å
891A81.8Confident71.7Confident17 Ų1744.8 Ų44.814%0.1426%0.261CS..EExtended strand (participates in β ladder)trans-124.795-18000000110.9F841 L894 L916F841-A891 HydrophobicContact CD2-CB 3.76Å; F841-A891 HydrophobicContact CE2-CB 3.54Å; F841-A891 HydrophobicContact CZ-CB 4.28Å; A891-L894 CarbonylContact C-O 3.55Å; A891-L894 PolarHBondContact N-O 3.27Å; A891-L894 WeakPolarHBondContact O-CB 3.29Å; A891-L894 PolarHBondContact O-N 3.08Å; A891-L916 HydrophobicContact CB-CD2 3.57Å
892G75.2Confident74.4Confident46 Ų4642.7 Ų42.747%0.47424%0.243SC..THydrogen-bonded Turntrans62.5-119.5179.900000111.9R890 L894R890-G892 PolarHBondContact NH1-O 3.41Å; G892-L894 VanDerWaalsContact C-N 3.27Å
893P84.8Confident76.9Confident18 Ų1837.8 Ų37.812%0.11722%0.217CC..THydrogen-bonded Turntrans-84.98174.236.3-34.2000114.2A906 Q907 L909 I914P893-A906 WeakPolarHBondContact O-CB 3.43Å; P893-A906 PolarHBondContact O-N 3.35Å; P893-Q907 HydrophobicContact CB-CG 3.6Å; P893-L909 HydrophobicContact CB-CD2 3.79Å; P893-L909 HydrophobicContact CG-CD2 4.12Å; P893-I914 HydrophobicContact CG-CD1 3.39Å
894L88.9Confident78.9Confident1 Ų136.8 Ų36.81%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-119155.8-175.8-57.9173.5000112.2L811 A821 A891 G892 I903 W904 V905 I914 L916 V938L811-L894 HydrophobicContact CD1-CD2 4.08Å; A821-L894 HydrophobicContact CB-CD2 4.25Å; A891-L894 CarbonylContact C-O 3.55Å; A891-L894 PolarHBondContact N-O 3.27Å; A891-L894 WeakPolarHBondContact O-CB 3.29Å; A891-L894 PolarHBondContact O-N 3.08Å; G892-L894 VanDerWaalsContact C-N 3.27Å; L894-I903 HydrophobicContact CB-CG2 4.05Å; L894-I903 HydrophobicContact CD1-CG2 4.32Å; L894-I903 HydrophobicContact CD2-CG2 4.37Å; L894-I903 HydrophobicContact CG-CG2 4.47Å; L894-W904 CarbonylContact C-O 3.55Å; L894-W904 VanDerWaalsContact CA-O 3.25Å; L894-W904 WeakPolarHBondContact CA-O 3.37Å; L894-V905 HydrophobicContact CD2-CG2 4.37Å; L894-I914 HydrophobicContact CD1-CD1 4.28Å; L894-L916 HydrophobicContact CD1-CD1 3.94Å; L894-V938 HydrophobicContact CD1-CG1 4.31Å; L894-V938 HydrophobicContact CD1-CG2 3.98Å
895Y87.1Confident80.7Confident9 Ų932.3 Ų32.34%0.03518%0.175CC..EExtended strand (participates in β ladder)trans-135.6124.9176.9167.5-87.6000109.6L854 G888 Y889 N897 I903 W904L854-Y895 HydrophobicContact CD1-CD1 4.43Å; L854-Y895 HydrophobicContact CD1-CE1 3.63Å; G888-Y895 WeakPolarHBondContact CA-OH 3.19Å; Y889-Y895 CarbonylContact O-C 3.56Å; Y889-Y895 WeakPolarHBondContact O-CA 3.49Å; Y895-N897 HydrophobicContact CE1-CB 4.36Å; Y895-I903 CarbonylContact O-C 3.41Å; Y895-I903 VanDerWaalsContact O-CA 3.27Å; Y895-I903 WeakPolarHBondContact O-CA 3.33Å; Y895-W904 HydrophobicContact CD1-CB 4.38Å; Y895-W904 PolarHBondContact N-O 3.47Å; Y895-W904 PolarHBondContact O-N 3.26Å
896L89.5Confident82.2Confident0 Ų028.8 Ų28.80%016%0.156CC..EExtended strand (participates in β ladder)trans-96.1139.1171.7170.167.7000110.1L824 F841 G888 Y889 G901 E902 I903 L918L824-L896 HydrophobicContact CD1-CD1 3.88Å; L824-L896 HydrophobicContact CD1-CD2 4.38Å; F841-L896 HydrophobicContact CB-CD2 4.08Å; F841-L896 HydrophobicContact CD1-CB 4.03Å; F841-L896 HydrophobicContact CD1-CD2 3.53Å; F841-L896 HydrophobicContact CD1-CG 4.37Å; F841-L896 HydrophobicContact CD2-CB 3.48Å; F841-L896 VanDerWaalsContact CD2-CB 3.48Å; F841-L896 HydrophobicContact CD2-CD2 4.21Å; F841-L896 HydrophobicContact CD2-CG 4.49Å; F841-L896 HydrophobicContact CE1-CB 3.89Å; F841-L896 HydrophobicContact CE1-CD2 3.99Å; F841-L896 HydrophobicContact CE1-CG 4.44Å; F841-L896 HydrophobicContact CE2-CB 3.35Å; F841-L896 HydrophobicContact CG-CB 3.82Å; F841-L896 HydrophobicContact CG-CD2 3.62Å; F841-L896 HydrophobicContact CG-CG 4.37Å; F841-L896 HydrophobicContact CZ-CB 3.56Å; G888-L896 CarbonylContact C-O 3.58Å; G888-L896 VanDerWaalsContact CA-O 3.3Å; G888-L896 WeakPolarHBondContact CA-O 3.49Å; Y889-L896 HydrophobicContact CD2-CD2 4.19Å; Y889-L896 HydrophobicContact CD2-CG 4.47Å; Y889-L896 PolarHBondContact N-O 2.81Å; Y889-L896 PolarHBondContact O-N 3.47Å; L896-G901 VanDerWaalsContact CD1-C 3.48Å; L896-G901 WeakPolarHBondContact CD1-O 3.3Å; L896-E902 CarbonylContact C-O 3.48Å; L896-E902 VanDerWaalsContact CA-O 3.24Å; L896-E902 WeakPolarHBondContact CA-O 3.39Å; L896-I903 HydrophobicContact CD1-CG1 4.07Å; L896-L918 HydrophobicContact CD2-CD2 4.34Å
897N86.7Confident83.2Confident35 Ų3528.4 Ų28.419%0.18715%0.153CC..EExtended strand (participates in β ladder)trans-94.9120.5160.6179.9-14.1000109.7Y895 T899 T900 G901 E902Y895-N897 HydrophobicContact CE1-CB 4.36Å; N897-T899 VanDerWaalsContact C-N 3.32Å; N897-T899 PolarHBondContact O-N 2.69Å; N897-T899 PolarHBondContact OD1-N 2.98Å; N897-T899 PolarHBondContact OD1-OG1 3.3Å; N897-T900 WeakPolarHBondContact CB-OG1 3.11Å; N897-T900 VanDerWaalsContact CG-OG1 3.31Å; N897-T900 PolarHBondContact ND2-OG1 2.81Å; N897-T900 PolarHBondContact OD1-N 3.1Å; N897-G901 VanDerWaalsContact O-CA 3.23Å; N897-G901 WeakPolarHBondContact O-CA 3.24Å; N897-G901 PolarHBondContact O-N 2.8Å; N897-E902 PolarHBondContact N-O 3.42Å
898G83.2Confident83.8Confident1 Ų129.2 Ų29.21%0.0117%0.17CC..THydrogen-bonded Turntrans-72.4-15.4-176.800000115.6Y839 K887Y839-G898 WeakPolarHBondContact CB-O 3.35Å; Y839-G898 WeakPolarHBondContact CD2-O 3.43Å; Y839-G898 PolarHBondContact N-O 3.43Å; Y839-G898 WeakPolarHBondContact O-CA 3.41Å; K887-G898 PolarHBondContact O-N 3.1Å
899T83.2Confident84.1Confident82 Ų8229.7 Ų29.750%0.50317%0.172SC..THydrogen-bonded Turntrans-92.5-44.2173.964.50000112.3K887 N897K887-T899 HydrophobicContact CB-CG2 4.36Å; K887-T899 HydrophobicContact CD-CG2 3.7Å; N897-T899 VanDerWaalsContact C-N 3.32Å; N897-T899 PolarHBondContact O-N 2.69Å; N897-T899 PolarHBondContact OD1-N 2.98Å; N897-T899 PolarHBondContact OD1-OG1 3.3Å
900T83.2Confident83.9Confident56 Ų5633.8 Ų33.834%0.34420%0.2SC..THydrogen-bonded Turntrans-88.2-12.9-178.268.50000113.6R823 N897 E902R823-T900 WeakPolarHBondContact CG-O 3.47Å; N897-T900 WeakPolarHBondContact CB-OG1 3.11Å; N897-T900 VanDerWaalsContact CG-OG1 3.31Å; N897-T900 PolarHBondContact ND2-OG1 2.81Å; N897-T900 PolarHBondContact OD1-N 3.1Å; T900-E902 PolarHBondContact O-N 2.94Å; T900-E902 WeakPolarHBondContact OG1-CB 3.23Å; T900-E902 VanDerWaalsContact OG1-CG 3.25Å; T900-E902 WeakPolarHBondContact OG1-CG 3.48Å; T900-E902 PolarHBondContact OG1-N 2.81Å; T900-E902 PolarHBondContact OG1-OE2 2.76Å
901G84.6Confident83.6Confident0 Ų033.7 Ų33.70%021%0.211CC..  trans69.58.8-173.200000113.9R823 L824 L896 N897R823-G901 CarbonylContact C-O 3.52Å; R823-G901 VanDerWaalsContact CA-O 3.23Å; R823-G901 WeakPolarHBondContact CA-O 3.44Å; L824-G901 WeakPolarHBondContact CG-O 3.39Å; L824-G901 PolarHBondContact N-O 2.81Å; L824-G901 VanDerWaalsContact N-O 3.1Å; L896-G901 VanDerWaalsContact CD1-C 3.48Å; L896-G901 WeakPolarHBondContact CD1-O 3.3Å; N897-G901 VanDerWaalsContact O-CA 3.23Å; N897-G901 WeakPolarHBondContact O-CA 3.24Å; N897-G901 PolarHBondContact O-N 2.8Å
902E86.9Confident83.5Confident29 Ų2934.6 Ų34.614%0.13622%0.222CC..  trans-82.7137.2-171.6-69173.2138.600113.9L820 G822 R823 L896 N897 T900L820-E902 HydrophobicContact CD1-CB 4.19Å; L820-E902 HydrophobicContact CD1-CG 4.46Å; G822-E902 CarbonylContact O-C 3.45Å; G822-E902 WeakPolarHBondContact O-CA 3.45Å; R823-E902 HydrophobicContact CG-CG 3.9Å; R823-E902 IonicContact CZ-OE1 2.73Å; R823-E902 IonicContact NE-OE1 3.11Å; R823-E902 PolarHBondContact NE-OE1 3.04Å; R823-E902 IonicContact NH2-OE1 2.66Å; R823-E902 PolarHBondContact NH2-OE1 2.88Å; L896-E902 CarbonylContact C-O 3.48Å; L896-E902 VanDerWaalsContact CA-O 3.24Å; L896-E902 WeakPolarHBondContact CA-O 3.39Å; N897-E902 PolarHBondContact N-O 3.42Å; T900-E902 PolarHBondContact O-N 2.94Å; T900-E902 WeakPolarHBondContact OG1-CB 3.23Å; T900-E902 VanDerWaalsContact OG1-CG 3.25Å; T900-E902 WeakPolarHBondContact OG1-CG 3.48Å; T900-E902 PolarHBondContact OG1-N 2.81Å; T900-E902 PolarHBondContact OG1-OE2 2.76Å
903I89Confident83.7Confident1 Ų136.5 Ų36.51%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-107.8129.1176.5-51.1175000109.2I809 L820 A821 G822 F841 L894 Y895 L896 L916 I936I809-I903 HydrophobicContact CD1-CD1 4.12Å; L820-I903 WeakPolarHBondContact CD1-O 3.37Å; A821-I903 WeakPolarHBondContact CA-O 3.31Å; A821-I903 HydrophobicContact CB-CB 4.41Å; A821-I903 HydrophobicContact CB-CG2 4.17Å; A821-I903 WeakPolarHBondContact CB-O 3.22Å; A821-I903 PolarHBondContact N-O 2.84Å; G822-I903 PolarHBondContact N-O 3.1Å; G822-I903 VanDerWaalsContact N-O 3.14Å; G822-I903 PolarHBondContact O-N 2.94Å; F841-I903 HydrophobicContact CE1-CD1 4.33Å; F841-I903 HydrophobicContact CZ-CD1 4.37Å; F841-I903 HydrophobicContact CZ-CG1 4.37Å; F841-I903 HydrophobicContact CZ-CG2 4.3Å; L894-I903 HydrophobicContact CB-CG2 4.05Å; L894-I903 HydrophobicContact CD1-CG2 4.32Å; L894-I903 HydrophobicContact CD2-CG2 4.37Å; L894-I903 HydrophobicContact CG-CG2 4.47Å; Y895-I903 CarbonylContact O-C 3.41Å; Y895-I903 VanDerWaalsContact O-CA 3.27Å; Y895-I903 WeakPolarHBondContact O-CA 3.33Å; L896-I903 HydrophobicContact CD1-CG1 4.07Å; I903-L916 HydrophobicContact CD1-CD1 4.37Å; I903-I936 HydrophobicContact CD1-CD1 3.95Å
904W86.7Confident83.6Confident73 Ų7337.3 Ų37.328%0.27723%0.228SC..EExtended strand (participates in β ladder)trans-124.1149.5-174.8-66.985.9000112.6L820 L894 Y895 A906L820-W904 HydrophobicContact CB-CE3 4.22Å; L820-W904 HydrophobicContact CB-CH2 4.49Å; L820-W904 HydrophobicContact CB-CZ3 4.14Å; L820-W904 HydrophobicContact CD1-CD2 3.82Å; L820-W904 HydrophobicContact CD1-CE3 4.22Å; L820-W904 HydrophobicContact CD1-CG 4.28Å; L820-W904 HydrophobicContact CD1-CH2 4.23Å; L820-W904 HydrophobicContact CD1-CZ2 3.82Å; L820-W904 HydrophobicContact CD1-CZ3 4.41Å; L894-W904 CarbonylContact C-O 3.55Å; L894-W904 VanDerWaalsContact CA-O 3.25Å; L894-W904 WeakPolarHBondContact CA-O 3.37Å; Y895-W904 HydrophobicContact CD1-CB 4.38Å; Y895-W904 PolarHBondContact N-O 3.47Å; Y895-W904 PolarHBondContact O-N 3.26Å; W904-A906 PolarHBondContact O-N 2.67Å
905V87.9Confident83.3Confident0 Ų042.1 Ų42.10%025%0.253CS..EExtended strand (participates in β ladder)trans-80.4106.5174.7178.70000110.1L811 M815 P817 G818 S819 A821 L894 Q907 L909L811-V905 HydrophobicContact CD1-CG2 4.44Å; M815-V905 HydrophobicContact CE-CG2 4.24Å; P817-V905 CarbonylContact C-O 3.49Å; P817-V905 WeakPolarHBondContact CA-O 3.44Å; G818-V905 PolarHBondContact N-O 3.36Å; S819-V905 WeakPolarHBondContact O-CB 3.41Å; S819-V905 WeakPolarHBondContact O-CG2 3.47Å; S819-V905 PolarHBondContact O-N 2.64Å; A821-V905 HydrophobicContact CB-CG2 4.29Å; L894-V905 HydrophobicContact CD2-CG2 4.37Å; V905-Q907 WeakPolarHBondContact CG1-O 3.49Å; V905-L909 HydrophobicContact CG1-CD1 4.09Å; V905-L909 HydrophobicContact CG1-CD2 3.76Å; V905-L909 HydrophobicContact CG1-CG 3.73Å; V905-L909 HydrophobicContact CG2-CD1 4.18Å
906A80.9Confident83.2Confident1 Ų142 Ų421%0.00825%0.254CS..  trans-88.8-20.2-171.700000114.7G857 P893 W904G857-A906 WeakPolarHBondContact O-CB 3.38Å; P893-A906 WeakPolarHBondContact O-CB 3.43Å; P893-A906 PolarHBondContact O-N 3.35Å; W904-A906 PolarHBondContact O-N 2.67Å
907Q79.1Confident82.9Confident66 Ų6644.9 Ų44.931%0.30827%0.267SS..SBendtrans-152.3169.3179.574.4-155.525.500111P893 V905 L909P893-Q907 HydrophobicContact CB-CG 3.6Å; V905-Q907 WeakPolarHBondContact CG1-O 3.49Å; Q907-L909 PolarHBondContact O-N 2.65Å
908A79.8Confident83Confident76 Ų7643.3 Ų43.363%0.62826%0.258SS*.PPolyproline II helixtrans-59.2129.9-177.400000111.1
909L82.3Confident83.2Confident11 Ų1146.5 Ų46.56%0.05827%0.27CS..PPolyproline II helixtrans-81.5126.7-173.8-65.7-171.8000111.7L811 T813 M815 P893 V905 Q907 I940L811-L909 HydrophobicContact CB-CD1 3.73Å; L811-L909 HydrophobicContact CD1-CD1 3.87Å; L811-L909 HydrophobicContact CG-CD1 4.39Å; T813-L909 WeakPolarHBondContact CB-O 2.81Å; T813-L909 WeakPolarHBondContact CG2-O 3.34Å; M815-L909 HydrophobicContact CB-CD1 4.12Å; P893-L909 HydrophobicContact CB-CD2 3.79Å; P893-L909 HydrophobicContact CG-CD2 4.12Å; V905-L909 HydrophobicContact CG1-CD1 4.09Å; V905-L909 HydrophobicContact CG1-CD2 3.76Å; V905-L909 HydrophobicContact CG1-CG 3.73Å; V905-L909 HydrophobicContact CG2-CD1 4.18Å; Q907-L909 PolarHBondContact O-N 2.65Å; L909-I940 HydrophobicContact CB-CD1 4.38Å; L909-I940 HydrophobicContact CB-CG2 3.82Å; L909-I940 HydrophobicContact CD1-CG2 4.31Å; L909-I940 HydrophobicContact CD2-CD1 4.07Å
910T80.7Confident83.4Confident113 Ų11342.8 Ų42.869%0.69325%0.247SC*.PPolyproline II helixtrans-98137.6167.453.10000109.5G912 I940T910-G912 PolarHBondContact O-N 2.93Å; T910-I940 WeakPolarHBondContact O-CD1 3.37Å
911S73.4Confident83.5Confident73 Ų7341.9 Ų41.951%0.5124%0.239SC..SBendtrans-55.2132.5179.254.20000112.6I940S911-I940 WeakPolarHBondContact CA-O 3.23Å; S911-I940 WeakPolarHBondContact CB-O 3.25Å
912G81.2Confident83.5Confident35 Ų3542.2 Ų42.236%0.36124%0.241SC..EExtended strand (participates in β ladder)trans161.1-159.3-172.400000114.3T910 I940T910-G912 PolarHBondContact O-N 2.93Å; G912-I940 PolarHBondContact N-O 3.38Å; G912-I940 VanDerWaalsContact N-O 3.14Å; G912-I940 PolarHBondContact O-N 2.86Å
913T79Confident83.1Confident87 Ų8744.2 Ų44.253%0.53425%0.251SS..EExtended strand (participates in β ladder)trans-142.8143.8-176.3-49.20000111.3V938 F939T913-V938 CarbonylContact C-O 3.51Å; T913-V938 WeakPolarHBondContact CA-O 3.32Å; T913-V938 VanDerWaalsContact CG2-O 3.31Å; T913-V938 WeakPolarHBondContact CG2-O 3.48Å; T913-F939 HydrophobicContact CG2-CD1 3.88Å; T913-F939 HydrophobicContact CG2-CE1 3.77Å; T913-F939 HydrophobicContact CG2-CZ 4.34Å
914I81.6Confident82.2Confident35 Ų3544.3 Ų44.318%0.17925%0.252CS..EExtended strand (participates in β ladder)trans-136.4144.1-176.2-52.8155.9000109.4P893 L894 L916 N937 V938 I940P893-I914 HydrophobicContact CG-CD1 3.39Å; L894-I914 HydrophobicContact CD1-CD1 4.28Å; I914-L916 HydrophobicContact CG2-CD2 4.22Å; I914-N937 CarbonylContact O-C 3.46Å; I914-N937 WeakPolarHBondContact O-CA 3.37Å; I914-V938 HydrophobicContact CB-CB 4.25Å; I914-V938 PolarHBondContact N-O 3.14Å; I914-V938 PolarHBondContact O-N 2.9Å; I914-I940 HydrophobicContact CD1-CD1 3.99Å
915N82.7Confident81.5Confident102 Ų10246.9 Ų46.955%0.54528%0.276SS..EExtended strand (participates in β ladder)trans-116.8146.7175.6-58.3-6.8000110.4I936 N937N915-I936 WeakPolarHBondContact CA-O 3.42Å; N915-N937 PolarHBondContact OD1-OD1 3.49Å
916L85.1Confident80.7Confident7 Ų752.1 Ų52.14%0.03731%0.31CS..EExtended strand (participates in β ladder)trans-138.8142.4-174-55.5167.7000111.6F841 A891 L894 I903 I914 T935 I936 V938F841-L916 HydrophobicContact CE1-CB 4Å; F841-L916 HydrophobicContact CE1-CD1 3.88Å; F841-L916 HydrophobicContact CE1-CD2 4.05Å; F841-L916 HydrophobicContact CE1-CG 4.2Å; F841-L916 HydrophobicContact CE2-CD2 4.36Å; F841-L916 HydrophobicContact CZ-CD1 3.83Å; F841-L916 HydrophobicContact CZ-CD2 3.86Å; F841-L916 HydrophobicContact CZ-CG 4.31Å; A891-L916 HydrophobicContact CB-CD2 3.57Å; L894-L916 HydrophobicContact CD1-CD1 3.94Å; I903-L916 HydrophobicContact CD1-CD1 4.37Å; I914-L916 HydrophobicContact CG2-CD2 4.22Å; L916-T935 CarbonylContact O-C 3.58Å; L916-T935 VanDerWaalsContact O-CA 3.3Å; L916-T935 WeakPolarHBondContact O-CA 3.25Å; L916-T935 WeakPolarHBondContact O-CG2 3.46Å; L916-I936 HydrophobicContact CB-CG1 3.87Å; L916-I936 HydrophobicContact CD1-CD1 4.14Å; L916-I936 HydrophobicContact CD1-CG1 4.22Å; L916-I936 PolarHBondContact N-O 2.88Å; L916-I936 PolarHBondContact O-N 2.83Å; L916-V938 HydrophobicContact CD1-CG2 3.81Å; L916-V938 HydrophobicContact CG-CG2 4.45Å
917H84.5Confident79.9Confident60 Ų6058.8 Ų58.828%0.27834%0.335SS..EExtended strand (participates in β ladder)trans-120.7149.7-176.5-60.7-69.8000112.1F841 L842 G843 T935F841-H917 WeakPolarHBondContact CA-O 3.35Å; L842-H917 HydrophobicContact CB-CB 3.83Å; L842-H917 PolarHBondContact N-O 2.84Å; G843-H917 PolarHBondContact O-CD2 3.21Å; H917-T935 WeakPolarHBondContact ND1-CG2 3.15Å; H917-T935 PolarHBondContact ND1-OG1 3.41Å
918L88Confident79.1Confident2 Ų256.8 Ų56.81%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-144.7151.1-162.6-58.6172000115.2W799 L824 L840 F841 L896 W933 L934W799-L918 HydrophobicContact CH2-CB 4.35Å; L824-L918 HydrophobicContact CD1-CD1 4Å; L824-L918 HydrophobicContact CD1-CD2 3.61Å; L824-L918 HydrophobicContact CD1-CG 4.41Å; L824-L918 HydrophobicContact CD2-CD1 3.69Å; L840-L918 WeakPolarHBondContact O-CA 3.23Å; F841-L918 HydrophobicContact CD1-CD2 3.71Å; F841-L918 HydrophobicContact CE1-CD2 4.09Å; L896-L918 HydrophobicContact CD2-CD2 4.34Å; L918-W933 WeakPolarHBondContact O-CA 3.46Å; L918-L934 HydrophobicContact CB-CB 4.05Å; L918-L934 HydrophobicContact CD1-CB 4.24Å; L918-L934 HydrophobicContact CD1-CD2 4.27Å; L918-L934 HydrophobicContact CD1-CG 4.25Å; L918-L934 PolarHBondContact N-O 3.09Å; L918-L934 PolarHBondContact O-N 2.66Å
919R87.3Confident78Confident67 Ų6762.4 Ų62.425%0.25334%0.341SS..EExtended strand (participates in β ladder)trans-142.3159.5175.7178.4170.1174.6-96.63.7113.6L840 L842 E921 D931 A932L840-R919 HydrophobicContact CD1-CB 4.28Å; L840-R919 HydrophobicContact CD1-CG 4.44Å; L840-R919 PolarHBondContact N-O 3.14Å; L840-R919 PolarHBondContact O-N 2.75Å; L842-R919 HydrophobicContact CD1-CB 4.41Å; R919-E921 IonicContact CZ-OE2 3.2Å; R919-E921 IonicContact NH1-OE2 3.28Å; R919-E921 PolarHBondContact NH1-OE2 2.76Å; R919-E921 IonicContact NH2-OE2 3.07Å; R919-E921 PolarHBondContact NH2-OE2 3.17Å; R919-D931 IonicContact CZ-OD1 3.1Å; R919-D931 IonicContact CZ-OD2 2.7Å; R919-D931 VanDerWaalsContact CZ-OD2 3.28Å; R919-D931 IonicContact NE-OD2 3.07Å; R919-D931 PolarHBondContact NE-OD2 2.82Å; R919-D931 IonicContact NH2-OD1 2.69Å; R919-D931 PolarHBondContact NH2-OD1 3.33Å; R919-D931 VanDerWaalsContact NH2-OD1 3.09Å; R919-D931 IonicContact NH2-OD2 2.64Å; R919-D931 PolarHBondContact NH2-OD2 3.1Å; R919-A932 CarbonylContact C-O 3.58Å; R919-A932 VanDerWaalsContact CA-O 3.29Å; R919-A932 WeakPolarHBondContact CA-O 3.18Å
920A87.9Confident76.8Confident4 Ų465.3 Ų65.33%0.03336%0.359CS..EExtended strand (participates in β ladder)trans-143.4150.3170.800000113.5W799 A826 V837 E838 A932W799-A920 HydrophobicContact CH2-CB 3.92Å; W799-A920 HydrophobicContact CZ2-CB 3.97Å; W799-A920 HydrophobicContact CZ3-CB 4.32Å; A826-A920 HydrophobicContact CB-CB 4.49Å; V837-A920 HydrophobicContact CG1-CB 3.73Å; E838-A920 VanDerWaalsContact O-CA 3.3Å; E838-A920 WeakPolarHBondContact O-CA 3.35Å; A920-A932 PolarHBondContact N-O 2.94Å; A920-A932 PolarHBondContact O-N 2.87Å
921E84.8Confident76.4Confident37 Ų3764.1 Ų64.117%0.17335%0.349CS..EExtended strand (participates in β ladder)trans-153.1154.8-168.2175.8178.915400112.7V837 R919 R927V837-E921 WeakPolarHBondContact CA-O 3.06Å; R919-E921 IonicContact CZ-OE2 3.2Å; R919-E921 IonicContact NH1-OE2 3.28Å; R919-E921 PolarHBondContact NH1-OE2 2.76Å; R919-E921 IonicContact NH2-OE2 3.07Å; R919-E921 PolarHBondContact NH2-OE2 3.17Å; E921-R927 IonicContact OE1-CZ 3.84Å; E921-R927 IonicContact OE1-NH1 3.68Å; E921-R927 PolarHBondContact OE1-NH1 2.99Å; E921-R927 IonicContact OE1-NH2 3.83Å; E921-R927 PolarHBondContact OE1-NH2 2.83Å
922D84.2Confident76.8Confident8 Ų861.6 Ų61.64%0.04333%0.332CS..  trans-99.4174.6178.187.173.4000116.8P797 K836 G924 R927 S928P797-D922 HydrophobicContact CG-CB 3.85Å; K836-D922 WeakPolarHBondContact O-CA 3.39Å; D922-G924 PolarHBondContact OD1-N 2.9Å; D922-R927 PolarHBondContact O-NH2 2.76Å; D922-S928 PolarHBondContact OD1-N 3.22Å; D922-S928 WeakPolarHBondContact OD2-CA 3.47Å; D922-S928 WeakPolarHBondContact OD2-CB 3.49Å; D922-S928 PolarHBondContact OD2-N 3.13Å; D922-S928 VanDerWaalsContact OD2-N 3.13Å; D922-S928 PolarHBondContact OD2-OG 2.87Å
923Q78.1Confident76.8Confident70 Ų7069.8 Ų69.833%0.32735%0.352SS..  trans-126.612.6-174.9-52.7-172.6-12.500115.3E833 K836E833-Q923 WeakPolarHBondContact CB-O 3.42Å; E833-Q923 CarbonylContact O-C 3.55Å; E833-Q923 WeakPolarHBondContact O-CA 3.19Å; E833-Q923 WeakPolarHBondContact O-CB 3.28Å; K836-Q923 HydrophobicContact CB-CB 4.46Å; K836-Q923 HydrophobicContact CB-CG 4.24Å
924G70.7Confident77Confident3 Ų366.2 Ų66.23%0.03133%0.33CS..  trans-72.1171.4-174.400000116.4E833 D922 P926 R927E833-G924 PolarHBondContact O-N 2.99Å; D922-G924 PolarHBondContact OD1-N 2.9Å; G924-P926 CarbonylContact C-O 3.52Å; G924-P926 CarbonylContact O-C 3.11Å; G924-R927 WeakPolarHBondContact O-CA 3.39Å; G924-R927 WeakPolarHBondContact O-CG 3.34Å; G924-R927 PolarHBondContact O-N 3.22Å
925T72.8Confident77Confident128 Ų12866.8 Ų66.879%0.78534%0.335SS*.SBendtrans-136117.3170.758.90000111.8N793N793-T925 PolarHBondContact ND2-O 3.24Å
926P69.8Low77.2Confident109 Ų10962.1 Ų62.171%0.70831%0.31SS*.SBendcis-54.7147.3-13.628.4-35.9000111N793 G924N793-P926 PolarHBondContact ND2-O 3.33Å; G924-P926 CarbonylContact C-O 3.52Å; G924-P926 CarbonylContact O-C 3.11Å
927R64.7Low77.2Confident141 Ų14164.7 Ų64.753%0.53232%0.324SS..PPolyproline II helixtrans-60.8143.4174.1-78.2-179.1156-150.7-18.7109.7E921 D922 G924E921-R927 IonicContact OE1-CZ 3.84Å; E921-R927 IonicContact OE1-NH1 3.68Å; E921-R927 PolarHBondContact OE1-NH1 2.99Å; E921-R927 IonicContact OE1-NH2 3.83Å; E921-R927 PolarHBondContact OE1-NH2 2.83Å; D922-R927 PolarHBondContact O-NH2 2.76Å; G924-R927 WeakPolarHBondContact O-CA 3.39Å; G924-R927 WeakPolarHBondContact O-CG 3.34Å; G924-R927 PolarHBondContact O-N 3.22Å
928S62.8Low77.2Confident25 Ų2561.9 Ų61.918%0.17531%0.311CS..PPolyproline II helixtrans-67.4168.717793.90000110.6N795 D922N795-S928 WeakPolarHBondContact O-CB 3.38Å; D922-S928 PolarHBondContact OD1-N 3.22Å; D922-S928 WeakPolarHBondContact OD2-CA 3.47Å; D922-S928 WeakPolarHBondContact OD2-CB 3.49Å; D922-S928 PolarHBondContact OD2-N 3.13Å; D922-S928 VanDerWaalsContact OD2-N 3.13Å; D922-S928 PolarHBondContact OD2-OG 2.87Å
929H56.9Low77.1Confident193 Ų19365.6 Ų65.689%0.89433%0.327SS*.SBendtrans-95.113.7-168.2-91.2-63.6000115.4
930T56.7Low77Confident72 Ų7262.9 Ų62.944%0.44232%0.317SS..  trans-144.8111.1-172.949.10000117
931D71.2Confident76.7Confident88 Ų8867.2 Ų67.247%0.47134%0.34SS..  trans-74.9164160-69.3-23.4000112.7R919R919-D931 IonicContact CZ-OD1 3.1Å; R919-D931 IonicContact CZ-OD2 2.7Å; R919-D931 VanDerWaalsContact CZ-OD2 3.28Å; R919-D931 IonicContact NE-OD2 3.07Å; R919-D931 PolarHBondContact NE-OD2 2.82Å; R919-D931 IonicContact NH2-OD1 2.69Å; R919-D931 PolarHBondContact NH2-OD1 3.33Å; R919-D931 VanDerWaalsContact NH2-OD1 3.09Å; R919-D931 IonicContact NH2-OD2 2.64Å; R919-D931 PolarHBondContact NH2-OD2 3.1Å
932A81.7Confident76.1Confident20 Ų2070 Ų7017%0.16536%0.361CS..EExtended strand (participates in β ladder)trans-129.6152.9171.100000114W799 R919 A920W799-A932 HydrophobicContact CG-CB 4.25Å; R919-A932 CarbonylContact C-O 3.58Å; R919-A932 VanDerWaalsContact CA-O 3.29Å; R919-A932 WeakPolarHBondContact CA-O 3.18Å; A920-A932 PolarHBondContact N-O 2.94Å; A920-A932 PolarHBondContact O-N 2.87Å
933W81.2Confident75Confident207 Ų20774.1 Ų74.178%0.78439%0.391SS*.EExtended strand (participates in β ladder)trans-140.9153.3-172.253.6-85.1000114.8W799 L918W799-W933 VanDerWaalsContact NE1-C 3.35Å; W799-W933 PolarHBondContact NE1-O 2.73Å; W799-W933 VanDerWaalsContact NE1-O 3.1Å; L918-W933 WeakPolarHBondContact O-CA 3.46Å
934L83.6Confident73.8Confident13 Ų1380.3 Ų80.37%0.06842%0.42CS..EExtended strand (participates in β ladder)trans-155.2171-175.4-171.557.2000113.8W799 P802 L918W799-L934 HydrophobicContact CZ2-CB 3.99Å; P802-L934 HydrophobicContact CB-CD2 4.18Å; P802-L934 HydrophobicContact CG-CD2 3.86Å; L918-L934 HydrophobicContact CB-CB 4.05Å; L918-L934 HydrophobicContact CD1-CB 4.24Å; L918-L934 HydrophobicContact CD1-CD2 4.27Å; L918-L934 HydrophobicContact CD1-CG 4.25Å; L918-L934 PolarHBondContact N-O 3.09Å; L918-L934 PolarHBondContact O-N 2.66Å
935T83.3Confident72.5Confident46 Ų4683.8 Ų83.828%0.28246%0.456SS..EExtended strand (participates in β ladder)trans-157.6141.6179.2-65.80000111.4R807 L916 H917R807-T935 PolarHBondContact NH1-O 2.8Å; L916-T935 CarbonylContact O-C 3.58Å; L916-T935 VanDerWaalsContact O-CA 3.3Å; L916-T935 WeakPolarHBondContact O-CA 3.25Å; L916-T935 WeakPolarHBondContact O-CG2 3.46Å; H917-T935 WeakPolarHBondContact ND1-CG2 3.15Å; H917-T935 PolarHBondContact ND1-OG1 3.41Å
936I86Confident70.9Confident4 Ų485.8 Ų85.82%0.02146%0.46CS..EExtended strand (participates in β ladder)trans-140.8163-175.763.4177.2000114P802 R807 I809 I903 N915 L916P802-I936 HydrophobicContact CB-CG2 4.24Å; P802-I936 HydrophobicContact CG-CG2 3.66Å; R807-I936 HydrophobicContact CB-CG2 4.1Å; R807-I936 WeakPolarHBondContact O-CA 3.46Å; R807-I936 WeakPolarHBondContact O-CB 3.19Å; I809-I936 HydrophobicContact CD1-CD1 3.95Å; I903-I936 HydrophobicContact CD1-CD1 3.95Å; N915-I936 WeakPolarHBondContact CA-O 3.42Å; L916-I936 HydrophobicContact CB-CG1 3.87Å; L916-I936 HydrophobicContact CD1-CD1 4.14Å; L916-I936 HydrophobicContact CD1-CG1 4.22Å; L916-I936 PolarHBondContact N-O 2.88Å; L916-I936 PolarHBondContact O-N 2.83Å
937N85.1Confident69.2Low62 Ų6284.1 Ų84.133%0.33246%0.463SS..EExtended strand (participates in β ladder)trans-119.4153.4179.7-56.4-23.3000111.8R807 T808 I809 I914 N915R807-N937 PolarHBondContact O-N 3.41Å; T808-N937 WeakPolarHBondContact CA-O 3.3Å; T808-N937 HydrophobicContact CG2-CB 4.44Å; I809-N937 PolarHBondContact N-O 2.9Å; I914-N937 CarbonylContact O-C 3.46Å; I914-N937 WeakPolarHBondContact O-CA 3.37Å; N915-N937 PolarHBondContact OD1-OD1 3.49Å
938V85.6Confident67.7Low0 Ų087.2 Ų87.20%048%0.48CS..EExtended strand (participates in β ladder)trans-136.2133.8-178.3-168.70000111.4I809 L811 L894 T913 I914 L916I809-V938 HydrophobicContact CB-CB 4.47Å; I809-V938 HydrophobicContact CB-CG1 4.1Å; I809-V938 HydrophobicContact CB-CG2 4.21Å; I809-V938 HydrophobicContact CG2-CG1 4.08Å; I809-V938 CarbonylContact O-C 3.49Å; I809-V938 WeakPolarHBondContact O-CA 3.43Å; L811-V938 HydrophobicContact CD1-CG1 3.54Å; L811-V938 HydrophobicContact CG-CG1 3.93Å; L894-V938 HydrophobicContact CD1-CG1 4.31Å; L894-V938 HydrophobicContact CD1-CG2 3.98Å; T913-V938 CarbonylContact C-O 3.51Å; T913-V938 WeakPolarHBondContact CA-O 3.32Å; T913-V938 VanDerWaalsContact CG2-O 3.31Å; T913-V938 WeakPolarHBondContact CG2-O 3.48Å; I914-V938 HydrophobicContact CB-CB 4.25Å; I914-V938 PolarHBondContact N-O 3.14Å; I914-V938 PolarHBondContact O-N 2.9Å; L916-V938 HydrophobicContact CD1-CG2 3.81Å; L916-V938 HydrophobicContact CG-CG2 4.45Å
939F85Confident66.1Low81 Ų8192.9 Ų92.936%0.35551%0.508SS..EExtended strand (participates in β ladder)trans-115.6153179.3-62.4-86.4000112.6T808 I809 N810 L811 T913T808-F939 HydrophobicContact CG2-CE2 3.99Å; I809-F939 PolarHBondContact O-N 3.45Å; N810-F939 WeakPolarHBondContact OD1-CD2 3.5Å; L811-F939 WeakPolarHBondContact CB-O 3.35Å; L811-F939 PolarHBondContact N-O 2.88Å; T913-F939 HydrophobicContact CG2-CD1 3.88Å; T913-F939 HydrophobicContact CG2-CE1 3.77Å; T913-F939 HydrophobicContact CG2-CZ 4.34Å
940I85.8Confident64.8Low9 Ų989.4 Ų89.45%0.04651%0.505CS..EExtended strand (participates in β ladder)trans-140.3120-177.4-51.4169.9000111.6L811 T813 L909 T910 S911 G912 I914L811-I940 HydrophobicContact CB-CG1 4.28Å; L811-I940 WeakPolarHBondContact O-CA 3.3Å; T813-I940 HydrophobicContact CG2-CG2 3.95Å; L909-I940 HydrophobicContact CB-CD1 4.38Å; L909-I940 HydrophobicContact CB-CG2 3.82Å; L909-I940 HydrophobicContact CD1-CG2 4.31Å; L909-I940 HydrophobicContact CD2-CD1 4.07Å; T910-I940 WeakPolarHBondContact O-CD1 3.37Å; S911-I940 WeakPolarHBondContact CA-O 3.23Å; S911-I940 WeakPolarHBondContact CB-O 3.25Å; G912-I940 PolarHBondContact N-O 3.38Å; G912-I940 VanDerWaalsContact N-O 3.14Å; G912-I940 PolarHBondContact O-N 2.86Å; I914-I940 HydrophobicContact CD1-CD1 3.99Å
941D80.1Confident63.5Low95 Ų9595.8 Ų95.851%0.50853%0.527SS..EExtended strand (participates in β ladder)trans-107.3143.6-176-66.6-40000115.7L811 T812 T813L811-D941 PolarHBondContact O-N 2.9Å; L811-D941 VanDerWaalsContact O-N 3.13Å; T812-D941 CarbonylContact C-O 3.47Å; T812-D941 WeakPolarHBondContact CA-O 3.46Å; T813-D941 WeakPolarHBondContact CG2-O 3.44Å; T813-D941 PolarHBondContact N-O 2.83Å; T813-D941 PolarHBondContact OG1-O 2.82Å
942P72.5Confident61.8Low96 Ų9695.3 Ų95.362%0.62354%0.543SS*.  trans-83.7166179.535.5-36.7000114.9T813T813-P942 WeakPolarHBondContact OG1-CA 3.44Å
943S61.4Low59.6Low95 Ų9597.4 Ų97.466%0.66457%0.566SS**  trans-130.3126-176.463.30000115.2
944E54Low57.7Low200 Ų20096 Ų9694%0.93557%0.574SS**  trans-112.2168168.3-67.2-167.6161.600111.9
945G42.7Very low55.4Low76 Ų7698.9 Ų98.978%0.78461%0.607SS**  trans-144112.4-179.100000114.7
946I39.2Very low53.4Low170 Ų170103.3 Ų103.387%0.87263%0.634SS**  trans-135.7137.1167.2-62.8-180000107.7
947G34.2Very low51.3Low74 Ų74110.4 Ų110.476%0.76367%0.672SS**  trans-91.4133.2-176.900000114.1
948F32.3Very low49.5Very low206 Ų206111.6 Ų111.690%0.90468%0.678SS**  trans-140.3155.2152.6-158.1-98000110.1
949L29.1Very low47.9Very low143 Ų143117.3 Ų117.375%0.74971%0.707SS**  trans-82.4128.4-167.2-68.8162.5000113.1
950S30.4Very low46.5Very low120 Ų120117.6 Ų117.684%0.83972%0.716SS**  trans-153.5116.5143.1-164.40000109.4
951F29.8Very low45.1Very low207 Ų207122.2 Ų122.291%0.90874%0.739SS**  trans-94.9137.2177.5-102.7-104.1000109.8
952G35.1Very low44Very low77 Ų77121.9 Ų121.979%0.79474%0.737SS**  trans-163.9108.1175.200000113.8
953G35.7Very low43.4Very low64 Ų64122 Ų12266%0.6673%0.731SS**  trans71.8147.2163.600000117.8
954D40.7Very low43.5Very low177 Ų177119.6 Ų119.695%0.94772%0.718SS**  cis-160167.4-13.2-100.2-44.1000110
955G35.3Very low44Very low75 Ų75116.2 Ų116.277%0.77370%0.704SS**  trans129-8.4152.500000119.9
956T41.5Very low45.2Very low138 Ų138117.3 Ų117.385%0.84769%0.691SS**  trans-113.7104.7-178.349.70000113.4N958T956-N958 PolarHBondContact O-N 3.49Å
957L42.1Very low46.7Very low154 Ų154112.9 Ų112.981%0.80667%0.671SS**  trans-66.9119.1173.7-161.982.1000109.7I959L957-I959 PolarHBondContact O-N 2.96Å
958N47.3Very low48.5Very low87 Ų87113.1 Ų113.147%0.46566%0.658SS.*  trans-80.7117.5-161.8-160.6-29.4000112.1T956 T960 I961T956-N958 PolarHBondContact O-N 3.49Å; N958-T960 PolarHBondContact O-N 3.31Å; N958-T960 PolarHBondContact OD1-N 3.35Å; N958-T960 PolarHBondContact OD1-OG1 3.17Å; N958-I961 HydrophobicContact CB-CD1 4.31Å; N958-I961 HydrophobicContact CB-CG1 4.41Å; N958-I961 WeakPolarHBondContact O-CB 3.46Å; N958-I961 PolarHBondContact O-N 2.96Å
959I53Low50.3Low120 Ų120107.1 Ų107.162%0.61564%0.638SS**Hα-helixtrans-52.8-30.1178.9-70.5171.8000112.1L957 I961 I962 L963L957-I959 PolarHBondContact O-N 2.96Å; I959-I961 VanDerWaalsContact C-N 3.27Å; I959-I961 PolarHBondContact O-N 3.27Å; I959-I962 PolarHBondContact O-N 2.78Å; I959-L963 HydrophobicContact CG2-CD1 3.92Å; I959-L963 HydrophobicContact CG2-CG 4.26Å; I959-L963 WeakPolarHBondContact O-CG 3.5Å; I959-L963 PolarHBondContact O-N 3.39Å
960T54.2Low52.2Low87 Ų87103.1 Ų103.153%0.53463%0.625SS.*Hα-helixtrans-60.5-30.917557.10000113.7N958 A964N958-T960 PolarHBondContact O-N 3.31Å; N958-T960 PolarHBondContact OD1-N 3.35Å; N958-T960 PolarHBondContact OD1-OG1 3.17Å; T960-A964 VanDerWaalsContact O-CB 3.26Å; T960-A964 WeakPolarHBondContact O-CB 3.36Å; T960-A964 PolarHBondContact O-N 2.87Å
961I56.5Low54.1Low105 Ų105101.6 Ų101.654%0.53861%0.607SS.*Hα-helixtrans-73.4-39176.7-62.7174.7000110.4N958 I959 A964 M965N958-I961 HydrophobicContact CB-CD1 4.31Å; N958-I961 HydrophobicContact CB-CG1 4.41Å; N958-I961 WeakPolarHBondContact O-CB 3.46Å; N958-I961 PolarHBondContact O-N 2.96Å; I959-I961 VanDerWaalsContact C-N 3.27Å; I959-I961 PolarHBondContact O-N 3.27Å; I961-A964 WeakPolarHBondContact O-CB 3.43Å; I961-A964 PolarHBondContact O-N 3.44Å; I961-M965 WeakPolarHBondContact O-CG 3.44Å; I961-M965 PolarHBondContact O-N 3.23Å
962I56.9Low55.9Low89 Ų8996.2 Ų96.246%0.45659%0.587SS.*Hα-helixtrans-64.2-45.1175.2-60.3175.7000109.8I959 A964 M965 I966I959-I962 PolarHBondContact O-N 2.78Å; I962-A964 VanDerWaalsContact C-N 3.34Å; I962-A964 PolarHBondContact O-N 3.08Å; I962-M965 PolarHBondContact O-N 2.78Å; I962-I966 HydrophobicContact CG2-CD1 3.96Å; I962-I966 WeakPolarHBondContact O-CG1 3.18Å; I962-I966 PolarHBondContact O-N 2.82Å
963L59.4Low57.4Low97 Ų9795.6 Ų95.651%0.50857%0.571SS.*Hα-helixtrans-65.2-33.6174.1-69.4172.3000112.8I959 T967I959-L963 HydrophobicContact CG2-CD1 3.92Å; I959-L963 HydrophobicContact CG2-CG 4.26Å; I959-L963 WeakPolarHBondContact O-CG 3.5Å; I959-L963 PolarHBondContact O-N 3.39Å; L963-T967 WeakPolarHBondContact O-CB 3.13Å; L963-T967 WeakPolarHBondContact O-CG2 3.45Å; L963-T967 PolarHBondContact O-N 3.36Å; L963-T967 PolarHBondContact O-OG1 3.24Å
964A64.5Low58.9Low46 Ų4697.7 Ų97.738%0.3857%0.566SS.*Hα-helixtrans-65.7-41.5172.500000111.4T960 I961 I962 T967 V968T960-A964 VanDerWaalsContact O-CB 3.26Å; T960-A964 WeakPolarHBondContact O-CB 3.36Å; T960-A964 PolarHBondContact O-N 2.87Å; I961-A964 WeakPolarHBondContact O-CB 3.43Å; I961-A964 PolarHBondContact O-N 3.44Å; I962-A964 VanDerWaalsContact C-N 3.34Å; I962-A964 PolarHBondContact O-N 3.08Å; A964-T967 WeakPolarHBondContact CA-OG1 3.21Å; A964-T967 PolarHBondContact O-N 3Å; A964-T967 PolarHBondContact O-OG1 2.68Å; A964-T967 VanDerWaalsContact O-OG1 3.1Å; A964-V968 WeakPolarHBondContact O-CB 3.44Å; A964-V968 VanDerWaalsContact O-CG2 3.24Å; A964-V968 WeakPolarHBondContact O-CG2 3.45Å; A964-V968 PolarHBondContact O-N 3.35Å
965M65.3Low60Low129 Ų12996.2 Ų96.264%0.63555%0.551SS**Hα-helixtrans-69.4-39.3176.3-68.4-162.576.300112.6I961 I962 T969I961-M965 WeakPolarHBondContact O-CG 3.44Å; I961-M965 PolarHBondContact O-N 3.23Å; I962-M965 PolarHBondContact O-N 2.78Å; M965-T969 WeakPolarHBondContact O-CB 3.48Å; M965-T969 WeakPolarHBondContact O-CG2 3.43Å; M965-T969 PolarHBondContact O-N 3.3Å; M965-T969 PolarHBondContact O-OG1 3Å
966I67.4Low61.3Low99 Ų9997.9 Ų97.951%0.50854%0.542SS..Hα-helixtrans-62.5-42.8173.3-68.2166.6000111.4I962 T969 A970I962-I966 HydrophobicContact CG2-CD1 3.96Å; I962-I966 WeakPolarHBondContact O-CG1 3.18Å; I962-I966 PolarHBondContact O-N 2.82Å; I966-T969 WeakPolarHBondContact CA-OG1 3.3Å; I966-T969 PolarHBondContact O-OG1 2.83Å; I966-T969 VanDerWaalsContact O-OG1 3.09Å; I966-A970 VanDerWaalsContact O-CB 3.29Å; I966-A970 WeakPolarHBondContact O-CB 3.17Å; I966-A970 PolarHBondContact O-N 2.63Å
967T69.9Low62.4Low77 Ų7796.3 Ų96.347%0.47253%0.527SS..Hα-helixtrans-71.8-39.8178.148.20000112.4L963 A964 A970 I971L963-T967 WeakPolarHBondContact O-CB 3.13Å; L963-T967 WeakPolarHBondContact O-CG2 3.45Å; L963-T967 PolarHBondContact O-N 3.36Å; L963-T967 PolarHBondContact O-OG1 3.24Å; A964-T967 WeakPolarHBondContact CA-OG1 3.21Å; A964-T967 PolarHBondContact O-N 3Å; A964-T967 PolarHBondContact O-OG1 2.68Å; A964-T967 VanDerWaalsContact O-OG1 3.1Å; T967-A970 PolarHBondContact O-N 3.35Å; T967-I971 WeakPolarHBondContact O-CB 3.39Å; T967-I971 WeakPolarHBondContact O-CD1 3.32Å; T967-I971 WeakPolarHBondContact O-CG1 3.41Å; T967-I971 PolarHBondContact O-N 2.92Å
968V71.4Confident63.4Low79 Ų7992.2 Ų92.248%0.47951%0.509SS..Hα-helixtrans-63.9-42.9174.41680000111.6A964 I971 I972A964-V968 WeakPolarHBondContact O-CB 3.44Å; A964-V968 VanDerWaalsContact O-CG2 3.24Å; A964-V968 WeakPolarHBondContact O-CG2 3.45Å; A964-V968 PolarHBondContact O-N 3.35Å; V968-I971 PolarHBondContact O-N 3.42Å; V968-I972 HydrophobicContact CG1-CD1 3.75Å; V968-I972 HydrophobicContact CG1-CG1 4.47Å; V968-I972 VanDerWaalsContact O-CG1 3.31Å; V968-I972 WeakPolarHBondContact O-CG1 3.22Å; V968-I972 PolarHBondContact O-N 2.93Å
969T71.5Confident64.2Low80 Ų8089.7 Ų89.749%0.49150%0.503SS..Hα-helixtrans-67.6-37.417647.70000112.8M965 I966 I972 S973M965-T969 WeakPolarHBondContact O-CB 3.48Å; M965-T969 WeakPolarHBondContact O-CG2 3.43Å; M965-T969 PolarHBondContact O-N 3.3Å; M965-T969 PolarHBondContact O-OG1 3Å; I966-T969 WeakPolarHBondContact CA-OG1 3.3Å; I966-T969 PolarHBondContact O-OG1 2.83Å; I966-T969 VanDerWaalsContact O-OG1 3.09Å; T969-I972 PolarHBondContact O-N 2.78Å; T969-S973 WeakPolarHBondContact O-CB 3.48Å; T969-S973 PolarHBondContact O-N 2.91Å; T969-S973 PolarHBondContact O-OG 2.91Å
970A68.6Low64.3Low58 Ų5890.1 Ų90.148%0.47951%0.505SS..Hα-helixtrans-62.9-41.3171.700000112I966 T967 S973 L974I966-A970 VanDerWaalsContact O-CB 3.29Å; I966-A970 WeakPolarHBondContact O-CB 3.17Å; I966-A970 PolarHBondContact O-N 2.63Å; T967-A970 PolarHBondContact O-N 3.35Å; A970-S973 PolarHBondContact O-N 2.89Å; A970-L974 WeakPolarHBondContact O-CB 3.3Å; A970-L974 PolarHBondContact O-N 2.67Å
971I69.6Low64.2Low88 Ų8891 Ų9145%0.45151%0.51SS..Hα-helixtrans-66.4-43.2177.3-72.5164.9000111.4T967 V968 L974 F975T967-I971 WeakPolarHBondContact O-CB 3.39Å; T967-I971 WeakPolarHBondContact O-CD1 3.32Å; T967-I971 WeakPolarHBondContact O-CG1 3.41Å; T967-I971 PolarHBondContact O-N 2.92Å; V968-I971 PolarHBondContact O-N 3.42Å; I971-L974 PolarHBondContact O-N 3.09Å; I971-F975 HydrophobicContact CG2-CD2 3.68Å; I971-F975 HydrophobicContact CG2-CE2 3.66Å; I971-F975 VanDerWaalsContact O-CD2 3.28Å; I971-F975 WeakPolarHBondContact O-CD2 3.22Å; I971-F975 PolarHBondContact O-N 2.69Å
972I67.3Low64.2Low94 Ų9490.5 Ų90.548%0.48252%0.515SS..Hα-helixtrans-64.5-43.5176.6-69.6167000110.8V968 T969 L974 F975 L976V968-I972 HydrophobicContact CG1-CD1 3.75Å; V968-I972 HydrophobicContact CG1-CG1 4.47Å; V968-I972 VanDerWaalsContact O-CG1 3.31Å; V968-I972 WeakPolarHBondContact O-CG1 3.22Å; V968-I972 PolarHBondContact O-N 2.93Å; T969-I972 PolarHBondContact O-N 2.78Å; I972-L974 VanDerWaalsContact C-N 3.34Å; I972-L974 PolarHBondContact O-N 2.7Å; I972-F975 PolarHBondContact O-N 2.83Å; I972-L976 HydrophobicContact CG2-CD1 4.14Å; I972-L976 PolarHBondContact O-N 3.07Å
973S68.3Low64Low65 Ų6592 Ų9246%0.45553%0.528SS..Hα-helixtrans-59.8-43.5173.7-61.40000111.8T969 A970 L976 I977T969-S973 WeakPolarHBondContact O-CB 3.48Å; T969-S973 PolarHBondContact O-N 2.91Å; T969-S973 PolarHBondContact O-OG 2.91Å; A970-S973 PolarHBondContact O-N 2.89Å; S973-L976 PolarHBondContact O-N 3.3Å; S973-I977 VanDerWaalsContact O-CG1 3.29Å; S973-I977 WeakPolarHBondContact O-CG1 3.36Å; S973-I977 PolarHBondContact O-N 2.93Å
974L65.9Low63Low107 Ų10798.3 Ų98.356%0.5655%0.545SS*.Hα-helixtrans-62.3-44176.7-173.468.4000111.8A970 I971 I972 I977 V978A970-L974 WeakPolarHBondContact O-CB 3.3Å; A970-L974 PolarHBondContact O-N 2.67Å; I971-L974 PolarHBondContact O-N 3.09Å; I972-L974 VanDerWaalsContact C-N 3.34Å; I972-L974 PolarHBondContact O-N 2.7Å; L974-I977 PolarHBondContact O-N 3.22Å; L974-V978 WeakPolarHBondContact O-CB 3.29Å; L974-V978 VanDerWaalsContact O-CG2 3.29Å; L974-V978 WeakPolarHBondContact O-CG2 3.37Å; L974-V978 PolarHBondContact O-N 3.13Å
975F64.2Low61.6Low147 Ų147107 Ų10765%0.64557%0.568SS**Hα-helixtrans-68.2-33.9177-83.4-63000113.4I971 I972 G979I971-F975 HydrophobicContact CG2-CD2 3.68Å; I971-F975 HydrophobicContact CG2-CE2 3.66Å; I971-F975 VanDerWaalsContact O-CD2 3.28Å; I971-F975 WeakPolarHBondContact O-CD2 3.22Å; I971-F975 PolarHBondContact O-N 2.69Å; I972-F975 PolarHBondContact O-N 2.83Å; F975-G979 PolarHBondContact O-N 2.58Å
976L63.1Low60.3Low110 Ų110112.7 Ų112.758%0.57658%0.583SS**Hα-helixtrans-66.2-44.3171.8-81.8164.6000111.7I972 S973 G979 I980I972-L976 HydrophobicContact CG2-CD1 4.14Å; I972-L976 PolarHBondContact O-N 3.07Å; S973-L976 PolarHBondContact O-N 3.3Å; L976-G979 PolarHBondContact O-N 3.43Å; L976-I980 VanDerWaalsContact O-CG1 3.3Å; L976-I980 WeakPolarHBondContact O-CG1 3.36Å; L976-I980 PolarHBondContact O-N 3.1Å
977I65Low58.9Low105 Ų105113 Ų11354%0.53859%0.591SS.*Hα-helixtrans-61.4-46.9175.3-69.1164.7000110.5S973 L974 G979 I980 V981S973-I977 VanDerWaalsContact O-CG1 3.29Å; S973-I977 WeakPolarHBondContact O-CG1 3.36Å; S973-I977 PolarHBondContact O-N 2.93Å; L974-I977 PolarHBondContact O-N 3.22Å; I977-G979 VanDerWaalsContact C-N 3.34Å; I977-G979 PolarHBondContact O-N 3Å; I977-I980 PolarHBondContact O-N 2.85Å; I977-V981 HydrophobicContact CG2-CG2 4.39Å; I977-V981 WeakPolarHBondContact O-CB 3.1Å; I977-V981 VanDerWaalsContact O-CG2 3.25Å; I977-V981 WeakPolarHBondContact O-CG2 3.48Å; I977-V981 PolarHBondContact O-N 3.37Å
978V62.7Low57.3Low68 Ų68115.1 Ų115.141%0.41260%0.604SS.*Hα-helixtrans-62.8-39.4176.2170.40000111.5L974 V981 C982L974-V978 WeakPolarHBondContact O-CB 3.29Å; L974-V978 VanDerWaalsContact O-CG2 3.29Å; L974-V978 WeakPolarHBondContact O-CG2 3.37Å; L974-V978 PolarHBondContact O-N 3.13Å; V978-V981 PolarHBondContact O-N 2.85Å; V978-C982 WeakPolarHBondContact O-CB 3.2Å; V978-C982 PolarHBondContact O-N 3.19Å; V978-C982 PolarHBondContact O-SG 3.28Å
979G62.8Low55.4Low34 Ų34121.8 Ų121.835%0.35162%0.621SS.*Hα-helixtrans-60.7-47.4174.700000112.6F975 L976 I977 V981 C982 V983F975-G979 PolarHBondContact O-N 2.58Å; L976-G979 PolarHBondContact O-N 3.43Å; I977-G979 VanDerWaalsContact C-N 3.34Å; I977-G979 PolarHBondContact O-N 3Å; G979-V981 PolarHBondContact O-N 2.98Å; G979-C982 PolarHBondContact O-N 3.41Å; G979-V983 VanDerWaalsContact O-CG2 3.24Å; G979-V983 WeakPolarHBondContact O-CG2 3.37Å; G979-V983 PolarHBondContact O-N 2.79Å
980I55.5Low53.5Low129 Ų129127 Ų12766%0.66263%0.633SS**Hα-helixtrans-64.9-39.5178.1-68.4165.2000111.2L976 I977L976-I980 VanDerWaalsContact O-CG1 3.3Å; L976-I980 WeakPolarHBondContact O-CG1 3.36Å; L976-I980 PolarHBondContact O-N 3.1Å; I977-I980 PolarHBondContact O-N 2.85Å
981V53.3Low52Low104 Ų104130.3 Ų130.363%0.6365%0.647SS**Hα-helixtrans-72.4-33.1178.91700000112.7I977 V978 G979I977-V981 HydrophobicContact CG2-CG2 4.39Å; I977-V981 WeakPolarHBondContact O-CB 3.1Å; I977-V981 VanDerWaalsContact O-CG2 3.25Å; I977-V981 WeakPolarHBondContact O-CG2 3.48Å; I977-V981 PolarHBondContact O-N 3.37Å; V978-V981 PolarHBondContact O-N 2.85Å; G979-V981 PolarHBondContact O-N 2.98Å
982C56Low50.2Low95 Ų95134 Ų13464%0.64267%0.666SS**Hα-helixtrans-83.5-22-176.8-74.50000114.8V978 G979V978-C982 WeakPolarHBondContact O-CB 3.2Å; V978-C982 PolarHBondContact O-N 3.19Å; V978-C982 PolarHBondContact O-SG 3.28Å; G979-C982 PolarHBondContact O-N 3.41Å
983V51.7Low48.5Very low122 Ų122133.6 Ų133.674%0.73968%0.678SS**THydrogen-bonded Turntrans-82.8-12.1-171.91690000114.2G979G979-V983 VanDerWaalsContact O-CG2 3.24Å; G979-V983 WeakPolarHBondContact O-CG2 3.37Å; G979-V983 PolarHBondContact O-N 2.79Å
984R39.8Very low46.7Very low228 Ų228141 Ų14186%0.8670%0.696SS**THydrogen-bonded Turntrans-13659.9179.9-79.9-171.3167156.4-2.8115.7
985R33.9Very low45Very low230 Ų230142.2 Ų142.287%0.86870%0.703SS**  trans-166105.6160.3-112.1169.5-171.4-164.93.2114.3
986R38.3Very low43.5Very low248 Ų248140.4 Ų140.494%0.93670%0.704SS**  trans173.6159.2139.3-97171.2-168.2-114.7-0.2112
987P37.9Very low42Very low106 Ų106141.9 Ų141.969%0.68872%0.717SS**  -141.9-149.1-120.343.1-21.6000115.5
988T35.8Very low40.5Very low121 Ų121139.6 Ų139.674%0.74272%0.72SS**  trans88.3145.6172.2750000116.3
989R32.8Very low39.1Very low218 Ų218142.2 Ų142.282%0.82374%0.736SS**  cis-161168.4-15.7-110.9179.4-179.4-176-0.1109.3
990Y31.9Very low37.7Very low191 Ų191148.1 Ų148.175%0.74976%0.759SS**  trans-18.8156.8164.8-59.9-87.8000119.4
991T36.6Very low36.5Very low127 Ų127145.9 Ų145.978%0.77977%0.768SS**  cis-159.1151.722.6-16.90000114.5
992L31.3Very low35.5Very low164 Ų164144.2 Ų144.286%0.85977%0.772SS**  trans-24.2138.8158.2-173.3141.1000120.3
993A31.8Very low34.5Very low87 Ų87146.9 Ų146.972%0.71979%0.785SS**  trans179.8114.3134.100000117.2
994R30.5Very low33.6Very low220 Ų220146.2 Ų146.283%0.8379%0.786SS**  75.3118.1122.3-157.5173.1-164174.87.3123.1
995N30.8Very low33.7Very low133 Ų133141.5 Ų141.571%0.71179%0.785SS**  trans72.4155.4144-73.126.7000119.7
996V32Very low33.6Very low109 Ų109133.5 Ų133.566%0.66177%0.774SS**  cis-165145.4-9.6120.20000111
997T32.5Very low33.4Very low141 Ų141129.8 Ų129.887%0.86577%0.773SS**  trans54.2153.5167.552.10000119
998G33.6Very low33.3Very low57 Ų57129.1 Ų129.159%0.58878%0.776SS**  cis-164.4161.7-1.900000109.2
999T32.1Very low33.2Very low123 Ų123127.4 Ų127.476%0.75577%0.774SS**  43.811999.458.80000113.8
1000D33.1Very low33.2Very low157 Ų157122.7 Ų122.784%0.8477%0.77SS**  cis-146.8-177.819.4-78.5-50.1000114.3
1001G31.4Very low33.2Very low82 Ų82117.9 Ų117.985%0.84576%0.76SS**  trans-75.9-167.3-174.100000116.8
1002G31.2Very low33Very low70 Ų70118.7 Ų118.772%0.72275%0.753SS**  cis176-140.75.100000112.2
1003V34.7Very low33Very low151 Ų151115.1 Ų115.192%0.91574%0.742SS**  trans75.9100.6171.4-170.20000116.9
1004S34.2Very low33.1Very low107 Ų107118.8 Ų118.875%0.74875%0.746SS**  trans-79.2-165.1164.1-34.50000111.8
1005P41.4Very low33Very low130 Ų130114.5 Ų114.584%0.84474%0.74SS**  cis-133.5-171.4-22.435.5-16.6000113.3
1006G32.4Very low33Very low62 Ų62114 Ų11464%0.63974%0.741SS**  trans159.9103.7147.100000119.4
1007N34.3Very low33Very low170 Ų170112.6 Ų112.691%0.90974%0.741SS**  trans61.7148.9139-63.30.1000120.5
1008A34.8Very low32.9Very low92 Ų92115.4 Ų115.476%0.7674%0.741SS**  cis-163.6179.3-6.700000111.4
1009A33.2Very low32.7Very low84 Ų84118.1 Ų118.169%0.69474%0.739SS**  trans71.6133.2172.300000116.3
1010T34Very low32.6Very low119 Ų119117 Ų11773%0.7373%0.728SS**  cis69.4140.531.783.40000113.1
1011T31.2Very low32.4Very low90 Ų90115.9 Ų115.955%0.55272%0.72SS**  cis-154.5148.78.9-31.90000105.6
1012F31.6Very low32.1Very low145 Ų145116.8 Ų116.864%0.63671%0.713SS**  -168.6146.963.4-85.4-88.4000107.5
1013S32Very low32Very low89 Ų89120 Ų12062%0.62272%0.719SS**  66.113976.2-131.20000114
1014M33Very low31.7Very low163 Ų163119.9 Ų119.980%0.80371%0.713SS**  cis-136.4147.220.7-64.6170.268.200114
1015D29.5Very low31.6Very low130 Ų130121.4 Ų121.470%0.69571%0.711SS**  13.9150.1122.4-53-45.6000119.6
1016V31Very low30.9Very low123 Ų123121.8 Ų121.875%0.74571%0.707SS**  cis-156.91423.7107.30000107.9
1017A31Very low30.7Very low80 Ų80123.9 Ų123.966%0.66171%0.711SS**  42.5148.2101.500000116.5
1018K30.6Very low30.5Very low199 Ų199119.1 Ų119.187%0.86570%0.702SS**  cis-157.2-157.20.6-141.1173.2-176.1179.60109.2
1019E30Very low30.2Very low115 Ų115126.7 Ų126.754%0.53771%0.711SS.*  trans71.8139.6-179.9-58.8-162.8-145.600115.2G1255E1019-G1255 WeakPolarHBondContact OE2-CA 3.28Å
1020N29.8Very low30.2Very low99 Ų99126.9 Ų126.953%0.52971%0.708SS.*  cis-150.3169.9-14.4-120.7-33.1000112.3
1021M28.2Very low30.1Very low133 Ų133127 Ų12766%0.65571%0.713SS**  trans17.7144.8157.2-65.8179.8-176.400121.3
1022S26.6Very low30.5Very low102 Ų102127.3 Ų127.371%0.71372%0.717SS**  cis159.4108.9-2448.30000108.1
1023T29.4Very low30.5Very low137 Ų137126.7 Ų126.784%0.8473%0.725SS**  trans-142.6119.8152.442.40000106.6
1024N28.3Very low30.5Very low149 Ų149126.2 Ų126.280%0.79773%0.726SS**  87.3150.161-1617.2000112.5
1025I31Very low30.5Very low138 Ų138124.5 Ų124.571%0.70873%0.725SS**  trans87.793.2171.5-50.6175.6000118.6
1026N27.3Very low30.7Very low139 Ų139129.9 Ų129.974%0.74374%0.737SS**  59.2111.3128.2-64.6-6.7000124.9
1027S28.7Very low30.7Very low106 Ų106127.2 Ų127.274%0.74173%0.734SS**  67.3108.4119.575.60000123.3
1028G29.1Very low31Very low70 Ų70128 Ų12872%0.72274%0.741SS**  101.9-172.3105.300000119.6
1029W29.4Very low31.1Very low250 Ų250125.5 Ų125.595%0.94774%0.737SS**  trans71.6137.6177.6-58.375.4000114.9
1030S32.4Very low31.2Very low89 Ų89127.4 Ų127.462%0.62275%0.746SS**  cis-168.4165.21.351.30000112.2
1031S32.4Very low31.3Very low120 Ų120130.5 Ų130.584%0.83976%0.755SS**  -164149.6123.4-850000112.3
1032P39.5Very low31.5Very low98 Ų98131 Ų13164%0.63676%0.758SS**  trans-141.1-166.1-13432.5-8.3000116.9
1033V32.2Very low31.7Very low131 Ų131132.3 Ų132.379%0.79477%0.765SS**  trans90.1135.7159.6-172.80000116.7
1034A32Very low31.8Very low79 Ų79129.4 Ų129.465%0.65376%0.762SS**  cis-165.2128.4-27.300000113.3
1035T31.4Very low32.1Very low127 Ų127131.5 Ų131.578%0.77977%0.767SS**  53.498.2127.6-42.40000122.1
1036Y34.5Very low32Very low244 Ų244129.8 Ų129.896%0.95777%0.774SS**  -144.5154.6128.8-82.3-86000107.7
1037G31.4Very low32.1Very low66 Ų66131.3 Ų131.368%0.6878%0.782SS**  cis175.5156.9-8.500000112.3
1038A36.3Very low32.1Very low97 Ų97129.4 Ų129.480%0.80278%0.779SS**  trans53.8106.6168.500000120.7
1039N32.8Very low32.1Very low146 Ų146129.4 Ų129.478%0.78178%0.779SS**  23.8123.6128-64.72.8000118.2
1040H33.3Very low32Very low156 Ų156125.2 Ų125.272%0.72278%0.775SS**  -179.6160.862.6-118.48.3000113.8
1041F30.9Very low31.7Very low164 Ų164125.1 Ų125.172%0.71978%0.775SS**  trans73.1109.2152-88.1-119.4000123.4
1042I33.2Very low31.6Very low142 Ų142126.9 Ų126.973%0.72877%0.773SS**  trans70.5127.7139.3-57.5-177.4000119.5
1043P30.1Very low31.2Very low130 Ų130128.8 Ų128.884%0.84478%0.776SS**  trans-94.4161.5178.538.4-36000114.6
1044G31.4Very low31.1Very low77 Ų77130.9 Ų130.979%0.79478%0.777SS**  trans-150.9147.1167.100000110.1
1045Q34Very low31.2Very low193 Ų193134 Ų13490%0.90278%0.783SS**  trans-79.3140.5-163.5-73.8169.6-80.300115.5
1046A29.4Very low31.1Very low102 Ų102131 Ų13184%0.84378%0.778SS**  trans31.996.6141.900000118.2
1047N28.8Very low30.9Very low171 Ų171128.4 Ų128.491%0.91477%0.774SS**  trans-132.3141.4156.3-169.811.2000108.2
1048G30.5Very low30.7Very low66 Ų66131.8 Ų131.868%0.6877%0.774SS**  trans72.4152.9-168.400000113.6
1049G27.8Very low30.2Very low70 Ų70135.2 Ų135.272%0.72277%0.771SS**  cis99.2127.3200000113
1050N28Very low29.9Very low161 Ų161133.8 Ų133.886%0.86177%0.768SS**  trans61.6143.5172.8-64.6-6.9000116.2
1051S27Very low29.6Very low88 Ų88130.5 Ų130.562%0.61577%0.767SS**  cis165.5-178.3-17.750.80000104.4
1052I28.4Very low29.4Very low157 Ų157129 Ų12981%0.80577%0.766SS**  trans64.2149.9176.7-12.7177.8000111.5
1053I31.1Very low29.1Very low137 Ų137132.9 Ų132.970%0.70377%0.773SS**  cis-132.7143.45-44.2155.2000104
1054E30.7Very low29.1Very low175 Ų175129.3 Ų129.382%0.81876%0.76SS**  -156.4133.870.9-77.8169.9168.100111.6
1055D33.6Very low29.1Very low145 Ų145135.4 Ų135.478%0.77577%0.767SS**  48.6140.3124.6-50.8-11.7000121.6
1056G30.6Very low28.9Very low65 Ų65129.7 Ų129.767%0.6776%0.761SS**  cis136117.6-5.300000113.3
1057Q29.6Very low28.8Very low188 Ų188128.4 Ų128.488%0.87976%0.758SS**  trans66.6159.6165.3-71.7-179.926.500116.3
1058M27.1Very low28.9Very low137 Ų137126.3 Ų126.368%0.67575%0.751SS**  cis-150.4142.5-4.8-120.2-138.1-63.100111.1
1059F25.4Very low28.7Very low170 Ų170131.5 Ų131.575%0.74676%0.759SS**  trans70.9122.5138.3-88.3-120.6000125.4
1060T26.8Very low28.8Very low116 Ų116131.7 Ų131.771%0.71276%0.761SS**  trans70.2127.1134.350.60000124.5
1061A27.1Very low28.8Very low86 Ų86134.7 Ų134.771%0.71176%0.762SS**  73.2157.8126.400000119.9
1062L26.6Very low29Very low133 Ų133134.2 Ų134.270%0.69677%0.771SS**  cis-165.2147-21-109171.3000107.4
1063Y27.9Very low28.9Very low224 Ų224131.1 Ų131.188%0.87877%0.768SS**  trans60.2162.7176.1-57.2-72.6000115.3
1064G29Very low28.7Very low55 Ų55129.9 Ų129.957%0.56777%0.767SS**  cis152.2123.7-10.700000111.7
1065H31.8Very low28.5Very low204 Ų204128 Ų12894%0.94476%0.76SS**  trans61.4163-175-54.1-60.7000114.5
1066G29.1Very low28.3Very low74 Ų74125.4 Ų125.476%0.76375%0.753SS**  cis144.1116.9-8.600000112.3
1067G28.9Very low28.6Very low75 Ų75127.7 Ų127.777%0.77376%0.756SS**  trans89162.7177.200000115.6
1068V29.6Very low28.7Very low127 Ų127123.6 Ų123.677%0.7775%0.748SS**  cis-176.8157.9-23.8121.20000107.8
1069M27Very low29Very low174 Ų174124.3 Ų124.386%0.85776%0.755SS**  trans67.3147.6176.9-70178.6-145.200118.6
1070G29.4Very low29.4Very low74 Ų74122.1 Ų122.176%0.76376%0.756SS**  trans16558.7170.800000117.7
1071Y29Very low29.7Very low225 Ų225121.1 Ų121.188%0.88276%0.759SS**  trans-11.5136.3167.6-62.2-94000120.4
1072G29.7Very low29.9Very low78 Ų78122 Ų12280%0.80476%0.76SS**  trans178.298.8162.600000114.5
1073A27.5Very low30Very low91 Ų91122.5 Ų122.575%0.75276%0.763SS**  trans-115.1-165.417600000111.3
1074V26.6Very low30.1Very low112 Ų112118.5 Ų118.568%0.67976%0.755SS**  trans91.6135170.8-177.30000115.2
1075M26.1Very low30Very low134 Ų134126.1 Ų126.166%0.6677%0.768SS**  cis-174.2160-25.7-110.8166.364.200110.3
1076S29.9Very low30Very low91 Ų91122.4 Ų122.464%0.63676%0.76SS**  trans64.6168.8147.166.90000119.7
1077P37.2Very low30.2Very low113 Ų113124.1 Ų124.173%0.73476%0.757SS**  cis-103156.6-9.214.68.2000112.2
1078S30.5Very low30.3Very low102 Ų102129.2 Ų129.271%0.71376%0.761SS**  cis87116.635.385.30000116
1079D32.9Very low30.2Very low152 Ų152127.2 Ų127.281%0.81376%0.758SS**  trans-156.6103.5140.9-112.8-16.9000114.9
1080T34.6Very low30.1Very low125 Ų125127.3 Ų127.377%0.76776%0.756SS**  trans39.8141.3149.767.50000126.2
1081A33.4Very low30.2Very low94 Ų94129.9 Ų129.978%0.77776%0.757SS**  trans67.1133.8157.100000118.9
1082S31.8Very low30.1Very low104 Ų104125.8 Ų125.873%0.72776%0.756SS**  cis-174.5163.20.9-97.20000108.4
1083L28.4Very low30.5Very low144 Ų144127.2 Ų127.275%0.75475%0.751SS**  cis-167.2173.6-8.9-115.7171.7000109.4
1084I29.4Very low30.6Very low141 Ų141130 Ų13072%0.72375%0.753SS**  trans65.3105161-66.8161.9000116.4
1085Y28.1Very low30.7Very low214 Ų214131 Ų13184%0.83975%0.753SS**  71.4139.781.7-87.8-154.6000114.6
1086V29.7Very low30.8Very low126 Ų126132 Ų13276%0.76476%0.76SS**  cis-147.7170.210.7-108.90000112.1
1087P34.3Very low30.8Very low110 Ų110131.1 Ų131.171%0.71477%0.766SS**  trans-120.6180-169.244.5-34.5000116.4
1088Q30.6Very low30.6Very low183 Ų183130.6 Ų130.686%0.85577%0.765SS**  trans179.2142.8141.4-94.3160.516.600108.4
1089A27.2Very low30.7Very low85 Ų85134.1 Ų134.170%0.70277%0.774SS**  cis79.4140.743.900000112.7
1090Q26.7Very low30.5Very low175 Ų175130.4 Ų130.482%0.81877%0.772SS**  cis-165.6-167.42-134.9175.9-2.300111.8
1091T29.9Very low30.4Very low128 Ų128128.2 Ų128.279%0.78578%0.775SS**  trans75154.8164.368.60000121.1
1092T27.2Very low30.2Very low140 Ų140128.7 Ų128.786%0.85977%0.772SS**  trans-140.1-160.3-167.964.30000110.4
1093P37.7Very low30.2Very low108 Ų108131.3 Ų131.370%0.70178%0.775SS**  trans-108.4170.1-131.938.5-21.2000115.8
1094N30.7Very low30.4Very low150 Ų150130.6 Ų130.680%0.80278%0.777SS**  trans169.1154.5163-96-20.7000109.4
1095I29.1Very low30.8Very low132 Ų132129.1 Ų129.168%0.67778%0.776SS**  cis-165.2157.5-12.6-136.9170.5000110.3
1096I28.3Very low31Very low154 Ų154125.2 Ų125.279%0.7977%0.774SS**  trans59.2117.3160.4-64.3168.3000121.3
1097G29.9Very low31.6Very low74 Ų74124.7 Ų124.776%0.76377%0.773SS**  82.7167.1124.700000121
1098S32.6Very low31.3Very low102 Ų102125.6 Ų125.671%0.71378%0.777SS**  cis-171.8135.3-19.9-1640000111.8
1099L31.2Very low31.1Very low175 Ų175122.9 Ų122.992%0.91677%0.768SS**  trans59.4154.5163.5-62.1160.8000118.2
1100G30Very low31Very low74 Ų74125.6 Ų125.676%0.76377%0.77SS**  cis164.6142.4-1000000113.4
1101G32Very low31Very low80 Ų80122.7 Ų122.783%0.82577%0.765SS**  trans82.8166.2173.200000116.3
1102S29.9Very low30.7Very low104 Ų104122.4 Ų122.473%0.72776%0.762SS**  cis-164.6159.2-12.3-159.20000112.7
1103M30.8Very low30.7Very low159 Ų159121.7 Ų121.778%0.78376%0.758SS**  trans64.391.1147.7-79.9162.6174.100123.4
1104T32.6Very low30.7Very low129 Ų129122.2 Ų122.279%0.79177%0.765SS**  63.2-179.3114.565.20000119.1
1105P38.8Very low31Very low110 Ų110119.4 Ų119.471%0.71476%0.755SS**  -138.7-151-108.338.4-12.4000114.7
1106V31.5Very low31Very low131 Ų131119 Ų11979%0.79475%0.754SS**  trans91.5131.3168.9-172.40000115.2
1107P41.9Very low31.1Very low115 Ų115121.5 Ų121.575%0.74776%0.755SS**  trans-98.2176.8-176.440.6-37.3000113.2
1108V28.7Very low31.6Very low129 Ų129123.2 Ų123.278%0.78275%0.753SS**  trans-169.3134.8143.3130.20000112.5
1109D26.3Very low31.5Very low126 Ų126122.7 Ų122.767%0.67475%0.749SS**  trans41.9130.3147.6-58-11.4000126.5
1110L25.9Very low31.5Very low143 Ų143124.9 Ų124.975%0.74975%0.745SS**  71.5165.1129.4-91.978.3000123.1
1111T25Very low31.6Very low114 Ų114126.6 Ų126.670%0.69974%0.737SS**  trans64.198.8160.842.30000116.4
1112T24.9Very low31.6Very low121 Ų121130 Ų13074%0.74273%0.731SS**  51.9111.790.166.20000114.5
1113T26Very low31.6Very low126 Ų126132.3 Ų132.377%0.77373%0.732SS**  -174.314497.534.50000110.3
1114S39.1Very low31.6Very low119 Ų119132.1 Ų132.183%0.83273%0.729SS**  trans-86.5127.8155.9177.60000108.7
1115P35.8Very low31.5Very low91 Ų91130.2 Ų130.259%0.59172%0.717SS**  trans-135.3163.9136.913.39.4000111.1
1116D28.8Very low31Very low123 Ų123134.7 Ų134.766%0.65873%0.726SS**  cis-165.3138.8-9.2-112.6-8.4000110.1
1117Y32.2Very low30.9Very low206 Ų206131.5 Ų131.581%0.80872%0.719SS**  trans59.4168.6137.4-79.4-125.8000120.3
1118P38.6Very low30.3Very low111 Ų111131.8 Ų131.872%0.72172%0.719SS**  cis-125.6-169.4-39.439.2-21.9000110
1119S32.4Very low30.3Very low91 Ų91133.2 Ų133.264%0.63672%0.721SS**  cis-168.6152.725.660.40000112.8
1120R30.4Very low30.3Very low220 Ų220131.9 Ų131.983%0.8372%0.718SS**  trans51.9141.2133-67.1-176169.8163.3-2.1118.8
1121N30.9Very low30.3Very low111 Ų111134.9 Ų134.959%0.59472%0.719SS**  cis-167.9167.48.1-104.3-11000106.2
1122H32.1Very low30.4Very low151 Ų151133.7 Ų133.770%0.69971%0.712SS**  cis-155.1153.24.1-116.6-41.2000108.7
1123M30.9Very low30.6Very low153 Ų153138.5 Ų138.575%0.75472%0.716SS**  trans-76.6155.2150.7-70.2172.6-81.700109.4
1124H30.9Very low30.9Very low155 Ų155135.4 Ų135.472%0.71871%0.71SS**  172.7122.6118.8-83.5-54.8000109.9
1125T30.1Very low30.5Very low89 Ų89135.5 Ų135.555%0.54671%0.71SS.*  77134.770.9-36.70000114
1126F29Very low30.5Very low204 Ų204138 Ų13890%0.89572%0.723SS**  trans66.6138.3175.9-47.7-68.8000115.6
1127G28.7Very low30.8Very low63 Ų63134.9 Ų134.965%0.64972%0.721SS**  cis154169.5-2.300000111.8
1128T29.9Very low30.7Very low121 Ų121134.3 Ų134.374%0.74273%0.725SS**  trans21.9105.4154.954.90000118.8
1129L27.5Very low30.4Very low159 Ų159133.8 Ų133.883%0.83272%0.724SS**  -168.697.7122.6-93.3147.4000105.1
1130T26.6Very low30.2Very low98 Ų98135 Ų13560%0.60173%0.728SS**  53.5147.960.388.40000113.5
1131R26.1Very low30.4Very low206 Ų206133.8 Ų133.878%0.77773%0.729SS**  trans77.9143.6170.6-68.9-175.6159.4-167.8-2115.9
1132T28.4Very low30.3Very low90 Ų90132.7 Ų132.755%0.55274%0.735SS**  cis-157.8141.70.66.80000113.9
1133R28.3Very low30.2Very low222 Ų222130.1 Ų130.184%0.83874%0.74SS**  trans63.8154.9143.1-66.1165.7178.5154.5-6.9117.9
1134G31.6Very low30.6Very low61 Ų61128.7 Ų128.763%0.62974%0.742SS**  cis-132.4162.1-2.500000111
1135S30.9Very low31Very low121 Ų121127.2 Ų127.285%0.84675%0.746SS**  58.5120.278.5-56.40000111.5
1136V35.5Very low31.1Very low143 Ų143126.6 Ų126.687%0.86776%0.758SS**  cis-145155.439.3178.60000109.5
1137G36.3Very low31.2Very low58 Ų58123.4 Ų123.460%0.59876%0.759SS**  cis-156.7168.62.300000110.1
1138Q30.3Very low31.3Very low193 Ų193124.9 Ų124.990%0.90277%0.765SS**  57.9131.989.1-69.1-175.8-17.500114.4
1139S31.5Very low31.3Very low101 Ų101127 Ų12771%0.70677%0.77SS**  cis-161.2133.513.656.50000113.5
1140V28.9Very low31.3Very low116 Ų116123.5 Ų123.570%0.70376%0.764SS**  86.8150.7101.1-179.10000115.9
1141F34.2Very low31.7Very low195 Ų195130.3 Ų130.386%0.85578%0.78SS**  trans74.9118.7-176.7-54.2-70.9000115.3
1142A29.2Very low32.1Very low88 Ų88122.9 Ų122.973%0.72776%0.755SS**  cis88.6959.900000118.7
1143A30.5Very low32.5Very low96 Ų96122.6 Ų122.679%0.79375%0.754SS**  trans51.9175.7130.500000121
1144P39.1Very low32.8Very low123 Ų123117.2 Ų117.280%0.79974%0.739SS**  cis-121.4-107.5-921.25.7000115.4
1145P38Very low33Very low124 Ų124121.2 Ų121.281%0.80575%0.745SS**  -129.2171.3-12641.8-23.5000117.4
1146G33.5Very low33.2Very low77 Ų77122.4 Ų122.479%0.79474%0.741SS**  trans-178.4142.7165.300000114.2
1147C29.9Very low33.4Very low137 Ų137119.8 Ų119.893%0.92674%0.735SS**  trans-118.5127.1177.6-600000110.8
1148A31Very low33.4Very low93 Ų93123.9 Ų123.977%0.76974%0.743SS**  trans-164.3113.4161.900000114.6
1149I30.2Very low34.1Very low165 Ų165120.1 Ų120.185%0.84674%0.738SS**  43.7105.1129.2-53.3171.4000119.5
1150A28.2Very low34.2Very low86 Ų86118.7 Ų118.771%0.71174%0.739SS**  trans50.3120.6136.900000122.8
1151Y33.4Very low34.9Very low241 Ų241120.7 Ų120.795%0.94575%0.746SS**  -159.4163124.5-109.7-77.1000110
1152E35Very low35.2Very low51 Ų51116.5 Ų116.524%0.23874%0.741CS.*  trans-155.8141.5-178.6176.2-109.5-138.900104N1440 P1441 E1442E1152-N1440 VanDerWaalsContact CD-ND2 3.33Å; E1152-N1440 PolarHBondContact OE1-ND2 2.67Å; E1152-N1440 PolarHBondContact OE2-ND2 2.74Å; E1152-P1441 HydrophobicContact CB-CB 3.97Å; E1152-P1441 HydrophobicContact CG-CB 3.48Å; E1152-P1441 VanDerWaalsContact CG-CB 3.48Å; E1152-P1441 WeakPolarHBondContact OE1-CA 3.44Å; E1152-P1441 WeakPolarHBondContact OE1-CB 3.41Å; E1152-E1442 HydrophobicContact CG-CB 4.5Å; E1152-E1442 VanDerWaalsContact CG-CD 3.43Å; E1152-E1442 HydrophobicContact CG-CG 3.77Å; E1152-E1442 PolarHBondContact OE1-N 3.25Å
1153P36.4Very low35.5Very low84 Ų84115.9 Ų115.955%0.54574%0.743SS.*  cis-146.9-179.137.145-25.6000119.3
1154H34.9Very low35.7Very low109 Ų109123.7 Ų123.751%0.50575%0.752SS.*  trans60.6148.8144.6-73.6-36.4000123.2E1442 Q1444H1154-E1442 PolarHBondContact N-OE1 2.7Å; H1154-Q1444 VanDerWaalsContact CE1-CD 3.46Å
1155L36.4Very low35.5Very low145 Ų145121.4 Ų121.476%0.75975%0.751SS**  trans80.1106.4161.1-69.2165.3000120
1156D35Very low35.7Very low145 Ų145121.4 Ų121.478%0.77575%0.751SS**  62.4149.5123.2-60.24.3000124.2
1157A39Very low35.7Very low89 Ų89122.7 Ų122.774%0.73675%0.748SS**  trans83.6106.9152.800000121
1158D37.8Very low35.9Very low144 Ų144124.1 Ų124.177%0.7774%0.741SS**  71.8110.7127.5-84.4-58000124.1
1159S43.2Very low36Very low114 Ų114128.5 Ų128.580%0.79775%0.745SS**  70146.1110.2-62.20000123.1
1160G35.3Very low36Very low70 Ų70124 Ų12472%0.72274%0.74SS**  trans142.693.3179.100000110
1161D42Very low36.1Very low159 Ų159126.3 Ų126.385%0.8574%0.741SS**  86.3143.657.8-173.445.7000115.2
1162S41.1Very low36Very low106 Ų106122.6 Ų122.674%0.74173%0.732SS**  trans113.8136.6147.277.80000120.1
1163G35.6Very low35.5Very low76 Ų76129 Ų12978%0.78476%0.759SS**  trans104101.3169.500000115.4
1164R35.4Very low35.1Very low259 Ų259131.7 Ų131.798%0.97777%0.768SS**  cis86.7104.717.5-159.7-167.5-167-1677.7116.4
1165G34.2Very low34.7Very low75 Ų75133.5 Ų133.577%0.77378%0.781SS**  trans157138.2163.400000115.8
1166P43Very low34.5Very low124 Ų124130.7 Ų130.781%0.80577%0.774SS**  trans-121.7-163-174.444.4-32.4000114.8
1167S33.6Very low34.1Very low104 Ų104129.7 Ų129.773%0.72777%0.768SS**  trans76.2155.8172.295.60000115.9
1168E32.6Very low33.8Very low167 Ų167131.2 Ų131.278%0.7876%0.764SS**  cis-164.1165.3-17.2-122168.6-178.900109.3
1169E33.4Very low33.4Very low185 Ų185131.8 Ų131.886%0.86476%0.757SS**  trans59.6146.8166.1-61.1-172.5161.600120.8
1170G31.5Very low32.7Very low72 Ų72135.3 Ų135.374%0.74275%0.752SS**  trans128.650.3169.100000116
1171N29.9Very low32.3Very low134 Ų134139 Ų13972%0.71776%0.756SS**  72.2131.367.9-144.7-10.2000114.2
1172Q29.9Very low31.6Very low163 Ų163134.8 Ų134.876%0.76275%0.75SS**  trans76.9124.9175.8-57.6165.127.100117
1173F26Very low31Very low185 Ų185137.8 Ų137.881%0.81175%0.754SS**  cis98.9143.539.5-102.3-80.8000113.8
1174L27.2Very low30.8Very low141 Ų141141.7 Ų141.774%0.73876%0.757SS**  trans70.8114.1168.4-58.8154.1000114.5
1175L26.1Very low30.8Very low146 Ų146136.8 Ų136.876%0.76475%0.748SS**  66.3112.970-81159.1000114.1
1176S32.9Very low30.8Very low87 Ų87139.3 Ų139.361%0.60875%0.751SS**  trans36.6115.8142.162.70000119.9
1177D27.5Very low30.2Very low124 Ų124137 Ų13766%0.66375%0.75SS**  -148134.1111.6-96.4-24.2000107.9
1178N31.4Very low30.2Very low121 Ų121140.2 Ų140.265%0.64775%0.753SS**  72.8154.857.4-69.7-51.9000114.5
1179Y29.3Very low30.3Very low156 Ų156139.6 Ų139.661%0.61275%0.75SS**  trans77.5143.1171.1-53.5-61000116.5
1180R28.1Very low30.2Very low188 Ų188133.9 Ų133.971%0.70974%0.74SS**  cis-151.2138.12.1-133.4154.3-160.5142.25114.2
1181N28.4Very low30.2Very low148 Ų148135.7 Ų135.779%0.79174%0.737SS**  trans13137.5143.9-46.20.3000119.7
1182G26.9Very low30.2Very low70 Ų70137.8 Ų137.872%0.72274%0.736SS**  trans-166.210.8175.200000123.8
1183M27.7Very low30.1Very low169 Ų169136.1 Ų136.183%0.83373%0.728SS**  trans46.7105.5163.6-59.1179.4-68.600119.9
1184N32.3Very low30.2Very low157 Ų157136.1 Ų136.184%0.8472%0.724SS**  176150.296.5-92.6-33.9000116.7
1185I34.2Very low30.2Very low157 Ų157136 Ų13681%0.80572%0.724SS**  trans-84.8165.5178.2-72.6158000110.1
1186P35.1Very low30.3Very low128 Ų128135 Ų13583%0.83172%0.724SS**  cis-123.6-175.53.823.60.7000115.2
1187G31.2Very low30Very low75 Ų75141.1 Ų141.177%0.77374%0.736SS**  trans-164.5-29.7174.600000121.5
1188Q32.5Very low30Very low172 Ų172141.1 Ų141.180%0.80475%0.745SS**  trans72.2136172.3-105.7177.9-43.300120.5
1189H34.1Very low30Very low154 Ų154139.1 Ų139.171%0.71375%0.753SS**  trans57.6122164.1-60.2-68.7000119.3
1190G32.2Very low30Very low64 Ų64142.6 Ų142.666%0.6677%0.767SS**  cis83.9144.17.700000112.8
1191T31.5Very low30Very low110 Ų110144.8 Ų144.868%0.67578%0.775SS**  cis-167.1161.419.242.60000108.7
1192Y30.2Very low30.3Very low179 Ų179143 Ų14370%0.70277%0.772SS**  cis-160.51640.8-102.5-25.6000108.6
1193Q26.8Very low30.2Very low127 Ų127145 Ų14559%0.59378%0.775SS**  40.1141.195.8-46.7177.9-49.300115.8
1194Y29.6Very low30.3Very low186 Ų186142.3 Ų142.373%0.72977%0.772SS**  cis-149.116943.9-95.7-90.3000116.3
1195N25.8Very low30.1Very low138 Ų138145.6 Ų145.674%0.73877%0.773SS**  trans-71.3157.8174.2-46.5-28.3000113.1
1196T28.3Very low29.8Very low124 Ų124145.4 Ų145.476%0.76177%0.772SS**  160.6136.9106.348.70000115.1
1197Y27Very low29.6Very low216 Ų216143 Ų14385%0.84777%0.77SS**  trans51.1131.7141.9-83.8-93.7000124.7
1198S27.9Very low29.6Very low124 Ų124149.1 Ų149.187%0.86777%0.771SS**  trans74.9160144.981.20000119.9
1199G29.9Very low29.5Very low79 Ų79150.1 Ų150.181%0.81477%0.769SS**  trans135.683.3164.100000115.6
1200Y30.6Very low29.2Very low229 Ų229153.1 Ų153.190%0.89877%0.774SS**  trans-83.1156.5171.4-124.3-85.9000111.9
1201R28.3Very low29.2Very low234 Ų234157.2 Ų157.288%0.88378%0.781SS**  trans82.8156164.6-67.9-168.5171.9-151.7-3.5119.2
1202P33.9Very low29.4Very low112 Ų112157.8 Ų157.873%0.72779%0.786SS**  trans-121.7-178.6-15543.2-30.1000115.8
1203S25.9Very low29.6Very low111 Ų111154 Ų15478%0.77679%0.786SS**  trans97.6142156.582.10000119.9
1204S28.3Very low29.9Very low112 Ų112154.8 Ų154.878%0.78379%0.793SS**  trans86.2132.9162.282.50000121.1
1205R29.5Very low30.2Very low227 Ų227151.6 Ų151.686%0.85779%0.789SS**  trans59.7105.8153.1-71.6-172.3169.5-159.7-2.9122.6
1206I28.2Very low30.5Very low153 Ų153151.2 Ų151.279%0.78579%0.787SS**  46.4114.1112.5-57.5167.1000118
1207G29.7Very low30.9Very low76 Ų76152 Ų15278%0.78479%0.792SS**  trans-157.4135.5158.600000110.6
1208Y30.4Very low31.1Very low204 Ų204145.5 Ų145.580%0.879%0.79SS**  trans-110.1174-173-100.4-94000112.8
1209Y30.4Very low31.3Very low193 Ų193145.6 Ų145.676%0.75779%0.791SS**  trans86.2136.7166-60.2-76.5000117.1
1210R29.4Very low31.3Very low218 Ų218148.6 Ų148.682%0.82379%0.788SS**  cis-159.6153.8-12.4-147.6175.7-151.7179.76.5111.2
1211N31.2Very low31.4Very low150 Ų150145.1 Ų145.180%0.80279%0.79SS**  trans-74.7164.3170.5-105.74.9000113.2
1212P35.7Very low31.5Very low121 Ų121141.7 Ų141.779%0.78678%0.782SS**  -134.8172.7108.238.6-28.6000115.9
1213S34.1Very low31.2Very low99 Ų99143.4 Ų143.469%0.69278%0.783SS**  trans-82.5178.9-171.455.70000114.2
1214L33.3Very low31.6Very low144 Ų144145.9 Ų145.975%0.75478%0.782SS**  -166.8172.250.5-159.266.9000113.9
1215D36.3Very low31.6Very low119 Ų119144.9 Ų144.964%0.63678%0.776SS**  trans83.387.3157.7-69.4-44.3000123.7
1216N32.9Very low31.4Very low130 Ų130142.3 Ų142.370%0.69578%0.777SS**  73.3128.7107.8-83.2-49000124.7
1217T35.9Very low31.4Very low141 Ų141139.5 Ų139.587%0.86578%0.777SS**  trans61.3138.1152.558.80000120.5
1218G31Very low31.4Very low79 Ų79141.9 Ų141.981%0.81478%0.78SS**  cis153.9122.4-11.900000114.7
1219S32.8Very low31.4Very low126 Ų126140 Ų14088%0.88178%0.778SS**  trans-162.4157.6158-167.30000110.7
1220L29.7Very low31.5Very low143 Ų143137.1 Ų137.175%0.74978%0.776SS**  trans-144.2137-169.1-93.3163.4000112.9K1222L1220-K1222 HydrophobicContact CD2-CB 4.44Å
1221T33Very low32.1Very low155 Ų155131.9 Ų131.995%0.95177%0.77SS**  trans-152.1135.2139.97.90000107.6
1222K29.9Very low32.3Very low163 Ų163131 Ų13171%0.70977%0.771SS**  trans-138.2138.2-158.5-169.5179.5-178.2-176.70113L1220L1220-K1222 HydrophobicContact CD2-CB 4.44Å
1223I27.6Very low32.4Very low147 Ų147131 Ų13175%0.75477%0.771SS**  trans-129.1145.5168.5-75.2176.6000108.1
1224H33.9Very low32.3Very low163 Ų163130.4 Ų130.476%0.75578%0.78SS**  trans70.7140.1174.8-77.7111.8000122
1225S28.5Very low32.2Very low92 Ų92126.8 Ų126.864%0.64378%0.778SS**  trans50.8103.8149.757.20000123.9
1226I26.1Very low31.7Very low172 Ų172127.1 Ų127.188%0.88279%0.789SS**  41115.1119.2-55.3169.8000120.8
1227A28.3Very low31.6Very low94 Ų94127.4 Ų127.478%0.77780%0.8SS**  trans174.5162.5134.500000111.9
1228C28.8Very low31.2Very low126 Ų126123.5 Ų123.585%0.85178%0.782SS**  trans-130.1177.3-173.8-56.40000112.4
1229Q31.1Very low30.9Very low164 Ų164126.2 Ų126.277%0.76679%0.787SS**  cis-170.6146.743-118.6-175.815.300114.7
1230N33Very low30.6Very low134 Ų134129.3 Ų129.372%0.71778%0.781SS**  trans60.4167.8133.7-71.2-1.3000124.9
1231P40.3Very low30.4Very low107 Ų107128.9 Ų128.970%0.69578%0.778SS**  cis-137.8-171.3-19.931.1-8.2000116.5
1232T36.4Very low30Very low133 Ų133127.6 Ų127.682%0.81677%0.77SS**  trans139.3171146.862.90000113.9
1233P36.6Very low29.9Very low120 Ų120124.2 Ų124.278%0.77977%0.766SS**  -138125.4-97.536.2-13.2000118.6
1234G33.3Very low30Very low87 Ų87123.5 Ų123.590%0.89776%0.764SS**  trans79.2123154.200000117.9
1235G29.9Very low29.9Very low68 Ų68121.6 Ų121.670%0.70176%0.76SS**  cis-170.5-166.50.600000113.6
1236S27.1Very low29.8Very low126 Ų126123.1 Ų123.188%0.88177%0.765SS**  trans53.862.6175.766.80000118.3
1237C30.8Very low29.9Very low136 Ų136122.5 Ų122.592%0.91976%0.762SS**  -140113.7129.8-98.80000107.6
1238A26.1Very low29.8Very low58 Ų58124.5 Ų124.548%0.47976%0.758SS.*PPolyproline II helixtrans-97.8123.2-174.400000110.7Y1240A1238-Y1240 HydrophobicContact CB-CD1 3.99Å; A1238-Y1240 HydrophobicContact CB-CD2 4.41Å; A1238-Y1240 HydrophobicContact CB-CE1 3.64Å; A1238-Y1240 HydrophobicContact CB-CE2 4.08Å; A1238-Y1240 HydrophobicContact CB-CG 4.38Å; A1238-Y1240 WeakPolarHBondContact O-CD2 3.49Å; A1238-Y1240 WeakPolarHBondContact O-CE2 3.33Å
1239C26.7Very low29.7Very low137 Ų137126.2 Ų126.293%0.92675%0.754SS**PPolyproline II helixtrans-71.1129144.2-58.40000106.9
1240Y26.5Very low29.6Very low190 Ų190123.9 Ų123.975%0.74575%0.753SS**PPolyproline II helixtrans-103.8147.3178.4-56.7-82.6000108.7A1238A1238-Y1240 HydrophobicContact CB-CD1 3.99Å; A1238-Y1240 HydrophobicContact CB-CD2 4.41Å; A1238-Y1240 HydrophobicContact CB-CE1 3.64Å; A1238-Y1240 HydrophobicContact CB-CE2 4.08Å; A1238-Y1240 HydrophobicContact CB-CG 4.38Å; A1238-Y1240 WeakPolarHBondContact O-CD2 3.49Å; A1238-Y1240 WeakPolarHBondContact O-CE2 3.33Å
1241I23.5Very low29.3Very low134 Ų134123.3 Ų123.369%0.68775%0.754SS**  cis-158.6134.6-4.5-115.2167.4000104.5
1242V26.2Very low28.6Very low129 Ų129121.8 Ų121.878%0.78275%0.75SS**  56.9131.883179.60000111.7
1243S26.9Very low28.2Very low92 Ų92123.3 Ų123.364%0.64375%0.748SS**  cis-135.1178.92.557.70000108.9
1244D30.4Very low27.7Very low131 Ų131128 Ų12870%0.70175%0.752SS**  -141.112754.2-113.922.8000115.5
1245N31.9Very low27.5Very low124 Ų124125.8 Ų125.866%0.66373%0.729SS**  trans55.195135.3-60-31.9000120.4
1246T26.9Very low27.5Very low124 Ų124128.5 Ų128.576%0.76173%0.728SS**  -45.9150.8121.748.70000110.2
1247I27.5Very low27.6Very low158 Ų158127.7 Ų127.781%0.8171%0.714SS**  cis-137.6147.644.3-67.3168.2000111.1
1248I25.9Very low27.7Very low137 Ų137127.7 Ų127.770%0.70370%0.704SS**  trans-112.5145.6-179.5-84.7176.4000110.2
1249Q26.5Very low28Very low162 Ų162128 Ų12876%0.75771%0.713SS**  trans73.8161.3161.8-84163.632.100117.8
1250P28.4Very low28.5Very low115 Ų115127.8 Ų127.875%0.74771%0.71SS**  cis-131.8137.521.432.9-11.1000120.1
1251V26.9Very low28.8Very low121 Ų121122.1 Ų122.173%0.73371%0.71SS**  75.7130.4122.6176.60000121.5
1252A27.1Very low29.2Very low76 Ų76123.7 Ų123.763%0.62872%0.718SS**  trans83.6115.8146.700000123.5
1253Q27Very low29.4Very low165 Ų165121.3 Ų121.377%0.77171%0.711SS**  93.3120.9122.2-77.1-177.1-1200122.6
1254Y26.9Very low29.7Very low217 Ų217128.2 Ų128.285%0.85173%0.725SS**  trans47.2122.5145.1-71.5-76.2000120.9
1255G28.9Very low29.9Very low41 Ų41130.1 Ų130.142%0.42373%0.729SS.*  trans-155-2816900000122.5E1019E1019-G1255 WeakPolarHBondContact OE2-CA 3.28Å
1256N30.3Very low30.3Very low125 Ų125129.1 Ų129.167%0.66873%0.729SS**  trans64.2125174.1-85.3-6.2000119.5
1257N29.2Very low30.5Very low110 Ų110130.2 Ų130.259%0.58873%0.726SS**  82.6138.9127.7-61.7-9.7000123.6
1258N32.9Very low30.8Very low135 Ų135130.3 Ų130.372%0.72272%0.723SS**  trans80.7116.5147.6-59.9-14.8000121.3
1259G31.2Very low31.2Very low64 Ų64128.3 Ų128.366%0.6673%0.727SS**  trans-84.2-139143.200000110.8
1260P38.4Very low31.5Very low134 Ų134125.3 Ų125.387%0.8772%0.724SS**  cis-137.1-174.1-0.543.2-26.1000115
1261G31.6Very low32Very low71 Ų71125.5 Ų125.573%0.73273%0.725SS**  trans84.8169.815800000117.3
1262I32.9Very low32.3Very low167 Ų167128 Ų12886%0.85673%0.728SS**  cis-138.9151.9-1.7-64.5-178.3000108.9
1263A29.7Very low32.5Very low79 Ų79133.3 Ų133.365%0.65374%0.737SS**  trans-72.6170.4-178.800000115.3
1264Y32.5Very low32.9Very low236 Ų236132.1 Ų132.193%0.92574%0.735SS**  trans-151132.8141.3-104.1-73000112.8
1265H35.4Very low33.1Very low172 Ų172130 Ų13080%0.79674%0.735SS**  trans-92-170.4173.9-108.5-68.2000110.4
1266P39.6Very low33.4Very low102 Ų102132.8 Ų132.866%0.66275%0.745SS**  cis-125.2-138.3-2228.6-2.9000109.1
1267E31Very low33.3Very low147 Ų147133.6 Ų133.669%0.68775%0.749SS**  cis-162.1-176.3-7.8-144.8-171.9121.200110.6
1268H34.3Very low33.3Very low161 Ų161133.6 Ų133.675%0.74575%0.753SS**  trans74.5142.9157.2-61.4-26.6000119.2
1269A34.3Very low33Very low95 Ų95133.9 Ų133.979%0.78575%0.754SS**  cis-160.5162.2-15.400000111.4
1270S32.2Very low33.1Very low99 Ų99140.5 Ų140.569%0.69277%0.768SS**  trans-98170.9177.161.50000113.1
1271P40.2Very low32.7Very low118 Ų118140.6 Ų140.677%0.76676%0.756SS**  -140.9139.7100.337.5-24.3000112.9
1272Q32.3Very low32.6Very low174 Ų174144.3 Ų144.381%0.81376%0.755SS**  53.4107.473.1-73.7-161.6-1.900116.6
1273K32.3Very low32.4Very low188 Ų188143.9 Ų143.982%0.81775%0.749SS**  trans-161.2112.8130.7-124.4175.6178.5178.80115.9
1274I34.5Very low32.5Very low139 Ų139147.9 Ų147.971%0.71376%0.756SS**  42.1112.3128.8-51.4177.2000118.6
1275M30.8Very low32.5Very low174 Ų174144 Ų14486%0.85775%0.747SS**  31.3161.5112.4-97.4-178.9-174.600121
1276P36.1Very low32.6Very low98 Ų98143 Ų14364%0.63674%0.742SS**  cis-143.8-168.4-236.5-13.3000115.9
1277L28.2Very low32.5Very low143 Ų143142.6 Ų142.675%0.74974%0.741SS**  trans62.7105.3139.2-81.7165.5000122.3
1278T27.8Very low32.7Very low110 Ų110145.4 Ų145.468%0.67575%0.746SS**  67.3144125.650.60000124.3
1279L27Very low32.7Very low140 Ų140140.6 Ų140.673%0.73374%0.74SS**  trans60.1105.9157.3-91.775.8000116.3
1280E34.2Very low32.8Very low204 Ų204143.7 Ų143.795%0.95374%0.738SS**  trans-114.4133.9136.5-148.6164-158.700108.7
1281Q28.9Very low33.2Very low136 Ų136147.9 Ų147.964%0.63675%0.747SS**  trans-148.9158.5-168.6-167.9-169.354.300105.8
1282Q30.9Very low33Very low149 Ų149147 Ų14770%0.69674%0.743SS**  trans77.4146.9174.1-53.3177.818.300114.2
1283Q28.3Very low33.4Very low157 Ų157146.3 Ų146.373%0.73474%0.744SS**  cis-171.2-172.2-29.3-118.9161.44.600107.8
1284M31.3Very low33.9Very low164 Ų164143 Ų14381%0.80874%0.742SS**  trans77.7129.9166.7-64.8178-76.400114.9
1285E33.5Very low34.2Very low155 Ų155141.9 Ų141.972%0.72474%0.744SS**  cis-151.6143.64.9-115.7-179.3153.800114.1
1286H37.4Very low34.7Very low149 Ų149141.8 Ų141.869%0.6975%0.745SS**  trans51.7141.7156.6-73.176.7000121.2
1287S36Very low34.9Very low94 Ų94142.4 Ų142.466%0.65775%0.749SS**  cis-173.9177.5-1863.50000107.2
1288R35.9Very low35.8Very low206 Ų206141.2 Ų141.278%0.77775%0.749SS**  cis-162.9169.85.8-149.2-178.7-169.297.54.4109.2
1289G34.6Very low36.4Very low61 Ų61141.3 Ų141.363%0.62975%0.752SS**  trans86.583.316500000114
1290E36.7Very low36.8Very low160 Ų160145.7 Ų145.775%0.74876%0.759SS**  67.795.160.2-56.1-176.7118.800114.9
1291H39.9Very low36.9Very low187 Ų187141.3 Ų141.387%0.86675%0.75SS**  -167.8172.9101.1-104.4-74.4000111.4
1292S35.6Very low37.4Very low98 Ų98140.1 Ų140.169%0.68576%0.755SS**  trans-150.8178.5-158.157.80000114.6
1293L41.4Very low37.5Very low161 Ų161140.8 Ų140.884%0.84376%0.758SS**  trans107.6148.4168.2-60.2172.3000116.9
1294P42.3Very low37.9Very low118 Ų118141.2 Ų141.277%0.76676%0.762SS**  trans-131.4-142.5-136.147.6-28.4000114
1295P41Very low38.4Very low116 Ų116138.7 Ų138.775%0.75376%0.758SS**  trans-112.3154-132.437.4-19.2000116.8
1296I40.7Very low38.5Very low171 Ų171136.9 Ų136.988%0.87776%0.762SS**  trans-164.4158.1160.3-111152.7000109.3
1297P40.9Very low38.3Very low112 Ų112134.6 Ų134.673%0.72776%0.763SS**  trans-104.3-161.8-143.945.9-41000115
1298P47.8Very low38.2Very low117 Ų117135.7 Ų135.776%0.7677%0.766SS**  trans-72.2166.9-151.936-41.8000115.1
1299P39.8Very low38Very low112 Ų112132.7 Ų132.773%0.72777%0.77SS**  cis-152.3-177.837.845.5-24.9000119.8
1300R35.2Very low37.8Very low233 Ų233134.4 Ų134.488%0.87977%0.768SS**  trans59.8125.3157.3-73.5-178.1-177.5-159.60.1120.6
1301S36.4Very low37.6Very low111 Ų111134.8 Ų134.878%0.77678%0.775SS**  trans-28.1150.5158.646.30000118.4
1302P40.4Very low37.3Very low112 Ų112136.1 Ų136.173%0.72777%0.772SS**  -153.3148.492.240.1-21.8000119.7
1303Q32.1Very low37.2Very low163 Ų163140.8 Ų140.876%0.76278%0.78SS**  trans54.5126.2132-64.3-176.2-13.100125.4
1304M37.2Very low36.9Very low165 Ų165140.5 Ų140.581%0.81378%0.779SS**  70.2172.7128.6-71.6-169.7178.300120.4
1305P42.4Very low36.5Very low111 Ų111141.2 Ų141.272%0.72179%0.786SS**  cis-119.7156-14.338.7-25.5000113.1
1306S34.8Very low36.1Very low117 Ų117141.7 Ų141.782%0.81879%0.787SS**  158.3161.782.751.10000107.4
1307S34.3Very low35.8Very low102 Ų102139.6 Ų139.671%0.71378%0.782SS**  cis-143.3152.316.655.10000113.2
1308T32.3Very low35.6Very low117 Ų117140.6 Ų140.672%0.71878%0.781SS**  trans20.2138153.648.20000121.1
1309V31.9Very low34.9Very low143 Ų143142.3 Ų142.387%0.86778%0.783SS**  cis-133.1157.646.4176.70000113.3
1310T31.8Very low34.8Very low96 Ų96142.9 Ų142.959%0.58979%0.786SS**  trans-126.5148.9-164.553.70000116.2
1311L31.6Very low34.5Very low169 Ų169137.5 Ų137.589%0.88578%0.784SS**  trans179.9111.2142.5-106.3165000110.5
1312R33.2Very low34.5Very low214 Ų214135.6 Ų135.681%0.80878%0.782SS**  cis101.970.2-3.7-152.7-173.2-176.7-139.60.1119.3
1313K34.2Very low34.2Very low196 Ų196138.6 Ų138.685%0.85279%0.791SS**  trans-164127.7149.9-98.1155.7-172-179.60108.5
1314N34.4Very low34.3Very low155 Ų155136.7 Ų136.783%0.82980%0.796SS**  cis76114.935.3-91.338.7000117.5
1315C34.1Very low34.1Very low133 Ų133136.8 Ų136.890%0.89979%0.792SS**  trans-162.8152.9141.8-109.20000110.5
1316T32.7Very low33.7Very low127 Ų127141.5 Ų141.578%0.77980%0.797SS**  trans-152.7138.2-173.747.40000112.1
1317T35Very low33.6Very low126 Ų126140.9 Ų140.977%0.77378%0.784SS**  trans-167.5134.4162.837.60000113.5
1318N35.9Very low33.5Very low133 Ų133143.6 Ų143.671%0.71179%0.786SS**  trans50.4125.4135.7-53.8-7.3000120.5
1319I32.9Very low33.5Very low154 Ų154142.9 Ų142.979%0.7979%0.785SS**  67130.968.3-65.1167.7000111.6
1320P37.5Very low33.7Very low124 Ų124142 Ų14281%0.80578%0.783SS**  cis-137.5-165.628.938.6-16.8000117.3
1321S30.6Very low33.8Very low120 Ų120144 Ų14484%0.83980%0.795SS**  trans-91.6160.5178.1530000115.6
1322G35Very low33.7Very low71 Ų71145.9 Ų145.973%0.73280%0.796SS**  trans-177.495.7168.300000119.4
1323L35Very low33.7Very low175 Ų175142.3 Ų142.392%0.91680%0.797SS**  trans37.3117142-72151.5000122.4
1324S33.6Very low33.5Very low123 Ų123140.1 Ų140.186%0.8680%0.795SS**  -159.1148.8123.7-163.80000113.8
1325K32.3Very low33.3Very low167 Ų167137.6 Ų137.673%0.72679%0.79SS**  trans-68.1155.5-177.7-64.1167.5178.2178.70111.7
1326Y35.1Very low33Very low209 Ų209143 Ų14382%0.8279%0.791SS**  -146.7159.360.9-105.3-102.1000116.5
1327N32.2Very low32.9Very low104 Ų104141.2 Ų141.256%0.55679%0.789SS**  trans-12.7154.7158.1-63.631.5000120.1
1328E32.6Very low32.6Very low159 Ų159141.4 Ų141.474%0.74380%0.796SS**  cis-159.3151.8-3.6-119.7157.516900115
1329S31.6Very low32.4Very low102 Ų102138.4 Ų138.471%0.71380%0.796SS**  trans23.2124.8154.460.50000123.5
1330P37.2Very low32.5Very low126 Ų126138.9 Ų138.982%0.81880%0.799SS**  trans-99.7156.1153.537.7-31.5000112.9
1331T32.8Very low32.1Very low136 Ų136143.1 Ų143.183%0.83480%0.801SS**  trans-141.2130.9169.445.10000113.6
1332K29.6Very low32.3Very low210 Ų210142 Ų14291%0.91379%0.791SS**  trans-80.9137.2164.1-66.2176.8176.9178.80110.1
1333V32.9Very low32.4Very low138 Ų138146.8 Ų146.884%0.83679%0.794SS**  trans-137.2141.8155.5-178.40000108.8
1334N30Very low32.1Very low150 Ų150141.7 Ų141.780%0.80277%0.773SS**  trans-97.2160.7179.3-99.6-19.3000111.9
1335S31.1Very low31.9Very low102 Ų102143.3 Ų143.371%0.71377%0.767SS**  trans72.5122146.968.20000122
1336R27.3Very low31.6Very low246 Ų246141.9 Ų141.993%0.92877%0.767SS**  72.6157.8129.1-77.6-177.3167175.4-4.1121.1
1337A31.1Very low31.1Very low90 Ų90135.9 Ų135.974%0.74476%0.756SS**  trans69.7100.6174.700000114.4
1338S28.3Very low30.9Very low131 Ų131138.3 Ų138.392%0.91676%0.763SS**  75.896.569.5-62.90000112.5
1339G31.4Very low30.8Very low69 Ų69137.7 Ų137.771%0.71176%0.76SS**  trans-159.3104.1174.100000112
1340L34.9Very low30.6Very low164 Ų164140.4 Ų140.486%0.85977%0.766SS**  trans64.9116.9165.5-56.6159.3000115.4
1341Y30Very low30.1Very low214 Ų214141.4 Ų141.484%0.83976%0.763SS**  60.9133.960.5-79-98.4000114.5
1342P33.5Very low30.2Very low96 Ų96142.2 Ų142.262%0.62376%0.757SS**  cis-134.8170.2-35.637.1-21.9000113.1
1343H37.4Very low30.3Very low171 Ų171135.8 Ų135.879%0.79274%0.739SS**  trans140.4135.2149.1-87.3-78.4000109.2
1344S29Very low30.2Very low69 Ų69135.8 Ų135.848%0.48373%0.734SS.*  cis172.7135.3-17.440.60000105
1345E28.6Very low30.4Very low156 Ų156135.4 Ų135.473%0.72973%0.732SS**  trans73135.3134.8-64.7172.6173.100116.1
1346N26.7Very low30.3Very low137 Ų137137.4 Ų137.473%0.73374%0.735SS**  56.3136.192-40.2-19000111.3
1347S25.4Very low30.6Very low84 Ų84135.1 Ų135.159%0.58773%0.732SS**  cis164.2177.34.944.40000106.6
1348H26.8Very low30.5Very low154 Ų154137.2 Ų137.271%0.71373%0.731SS**  trans69.4121.7158.4-64.2-54.9000116.4
1349E31Very low30.7Very low146 Ų146138.8 Ų138.868%0.68272%0.723SS**  cis62.381.124.4-161.7-161.2-123.300113.7
1350L27.6Very low30.6Very low160 Ų160142.6 Ų142.684%0.83873%0.727SS**  trans-129.5123.2146.9-68.2170000104
1351I27.5Very low30.4Very low147 Ų147138 Ų13875%0.75472%0.719SS**SBendcis-127.9118.140.5-71.5172.3000111.4
1352H34.4Very low30.4Very low152 Ų152136.7 Ų136.770%0.70472%0.718SS**  trans60.4147.8153.3-69.8-124.4000120.7
1353S30.8Very low30.3Very low76 Ų76138.2 Ų138.253%0.53172%0.721SS.*  cis-174.7141.5-23.852.90000110.8
1354N31.8Very low30Very low137 Ų137138.4 Ų138.473%0.73372%0.722SS**  trans71.9126149.4-64.7-10.9000121.3
1355N33.5Very low30.4Very low142 Ų142139.4 Ų139.476%0.75973%0.727SS**  trans78.3110.2145.9-55.8-14.1000117
1356N29.1Very low30.5Very low144 Ų144139 Ų13977%0.7773%0.73SS**  44111.868.2-77.7-8.8000114.2
1357F32.7Very low30.7Very low199 Ų199138.7 Ų138.787%0.87373%0.728SS**  -163.9147.797.1-115.7-79.8000111.5
1358D29.2Very low31.1Very low134 Ų134142.7 Ų142.772%0.71774%0.738SS**  trans-64140.1165.7-61-81.3000111.1
1359H34.1Very low31.3Very low163 Ų163140.1 Ų140.176%0.75574%0.737SS**  -179.4139.8113.1-96.6-57.5000114.5
1360N28.8Very low31.3Very low150 Ų150137.9 Ų137.980%0.80274%0.738SS**  trans1.9129141.1-49.7-32.3000118.3
1361G29.5Very low31.6Very low67 Ų67136.7 Ų136.769%0.69173%0.732SS**  trans175.198.2157.800000118.6
1362F30.1Very low31.8Very low186 Ų186136.5 Ų136.582%0.81673%0.731SS**  trans39.6122.2140.5-72.1-91.3000122.6
1363N32.4Very low31.6Very low128 Ų128135.4 Ų135.468%0.68473%0.729SS**  trans59.1114.5132.3-60.414000121.7
1364Q30.7Very low31.5Very low175 Ų175138.8 Ų138.882%0.81874%0.737SS**  30.6149.3106.1-81.4-168.1-51.200120.7
1365P37.2Very low31.4Very low90 Ų90138 Ų13858%0.58474%0.737SS**  cis-141.3-151.7-37.935.9-13.3000111.1
1366D30.3Very low31.2Very low147 Ų147136.7 Ų136.779%0.78674%0.736SS**  trans66.8122.9162.4-49.8-20.1000117.6
1367D32.3Very low31Very low131 Ų131137.9 Ų137.970%0.70174%0.742SS**  cis118.5146.512.2-172.338.1000112
1368Q32.5Very low30.7Very low169 Ų169139.4 Ų139.479%0.7974%0.742SS**  trans68.9151.1174.7-37.1-167.9500115.5
1369S32.4Very low30.6Very low100 Ų100140.4 Ų140.470%0.69975%0.745SS**  cis-142.8172.28.164.30000108.7
1370S30.3Very low30.3Very low99 Ų99139.2 Ų139.269%0.69274%0.744SS**  cis-150.4136.347.554.40000111.4
1371N34Very low30.2Very low134 Ų134139.4 Ų139.472%0.71775%0.745SS**  54.6132.582.5-55.7-38.9000112.9
1372I31Very low30.2Very low143 Ų143146.7 Ų146.773%0.73375%0.751SS**  -162.2126.568.5-96.9-177.8000112.3
1373I30.2Very low30.1Very low130 Ų130141.2 Ų141.267%0.66775%0.747SS**  trans65.4138.8131.7-61.9-172.5000120.3
1374Q29.2Very low29.9Very low146 Ų146144.3 Ų144.368%0.68276%0.758SS**  cis-168.3139.5-11.5-109.8175.9-10.400111.8
1375T29.1Very low29.7Very low121 Ų121141.1 Ų141.174%0.74276%0.755SS**  trans58.8171.6142.663.80000121.1
1376P29.4Very low29.4Very low114 Ų114142.6 Ų142.674%0.7476%0.762SS**  -130-179.9-52.537.6-23.6000112.5R1378P1376-R1378 PolarHBondContact O-N 2.88Å
1377L24.6Very low29.3Very low169 Ų169140.9 Ų140.989%0.88576%0.757SS**  trans-67.5120158.3-72.392000110.6
1378R26.8Very low29.1Very low232 Ų232140.1 Ų140.188%0.87575%0.753SS**  -169147.8122.3-111.6175.3176.9157.91.8112.6P1376P1376-R1378 PolarHBondContact O-N 2.88Å
1379I27.1Very low29Very low155 Ų155139.7 Ų139.780%0.79575%0.749SS**  trans-75.5129.8168.9-62.3159.6000107.7L1381I1379-L1381 HydrophobicContact CG2-CD1 4.36Å; I1379-L1381 HydrophobicContact CG2-CG 4.39Å
1380D27.4Very low28.8Very low137 Ų137141.5 Ų141.573%0.73375%0.751SS**  trans-130.1133.7164.3-157.8-9.3000109.9
1381L27.8Very low28.9Very low154 Ų154142.5 Ų142.581%0.80675%0.753SS**  trans-13983.3-174.8-85173.3000108.5I1379I1379-L1381 HydrophobicContact CG2-CD1 4.36Å; I1379-L1381 HydrophobicContact CG2-CG 4.39Å
1382R29.3Very low28.6Very low220 Ų220140.8 Ų140.883%0.8375%0.752SS**  trans-160.4140.8170.9-107.4175.1-91-150.5-8108.3
1383G28.7Very low28.5Very low71 Ų71141.6 Ų141.673%0.73275%0.752SS**  cis151.698.4-700000112.4
1384Q28Very low28.7Very low194 Ų194140.7 Ų140.791%0.90775%0.748SS**  trans-141.4133.5164.5-65.3-175.1-6.800107.8
1385S26.2Very low28.7Very low107 Ų107139.7 Ų139.775%0.74875%0.748SS**  cis8181.624.4-170.30000116.5
1386T30Very low28.9Very low122 Ų122143.7 Ų143.775%0.74875%0.751SS**  -164.4126.4125.628.40000106.7
1387T27.9Very low29.1Very low111 Ų111144.3 Ų144.368%0.68175%0.748SS**  50.8141.994.884.80000114.1
1388D28.6Very low29.6Very low114 Ų114141.9 Ų141.961%0.6174%0.74SS**  cis-165.4172.939-129-45.2000116.4
1389F31.7Very low29.8Very low160 Ų160135 Ų13570%0.70273%0.733SS**  trans60.7112.5159.9-66.4-60.1000124.6
1390N27.6Very low29.8Very low139 Ų139133.1 Ų133.174%0.74373%0.734SS**  34.1128.8122.7-59.4-9.4000119.5
1391T32.5Very low30Very low120 Ų120135 Ų13574%0.73674%0.736SS**  -156.7140.665.542.20000110.9
1392S27.4Very low30Very low98 Ų98134.8 Ų134.869%0.68573%0.73SS**  41.5133.985.875.10000114.5
1393E29.5Very low30.1Very low159 Ų159131.7 Ų131.774%0.74373%0.725SS**  cis-167.2174.821.7-152.9176.6-122.500112.3
1394N33.1Very low30.2Very low111 Ų111138.5 Ų138.559%0.59473%0.728SS**  trans75.1112.2156.8-63.6-51.9000122.1
1395N30.1Very low30.4Very low125 Ų125135.8 Ų135.867%0.66872%0.72SS**  42.4131.4123.1-54.9-30.7000119.5
1396Y33.9Very low30.9Very low205 Ų205136.5 Ų136.580%0.80472%0.719SS**  -166.1145.671.1-102.4-85.6000112.7
1397D33.3Very low31.1Very low128 Ų128141.7 Ų141.768%0.68473%0.725SS**  trans38.9148.3133.4-72.38000123.2
1398T34Very low31.4Very low118 Ų118144 Ų14472%0.72473%0.733SS**  cis-158.2157-1.611.10000114.2
1399A32.7Very low31.6Very low87 Ų87141.9 Ų141.972%0.71974%0.739SS**  trans42.8120.4138.900000122
1400S25.6Very low31.7Very low116 Ų116143 Ų14381%0.81175%0.751SS**  trans-73.8141.4147.1540000111.8
1401K31.5Very low32.1Very low177 Ų177139.7 Ų139.777%0.7775%0.75SS**  trans-163.9121.4160.1-108.2160.9-177.4173.90109.9
1402Q28.2Very low32.3Very low149 Ų149141.9 Ų141.970%0.69676%0.755SS**  51.5117.596.7-59.5-179-28.500113
1403H31.4Very low32.8Very low154 Ų154140.3 Ų140.371%0.71375%0.754SS**  -178155.169.2-111.1-67.3000112.9
1404R30.7Very low32.9Very low214 Ų214140.6 Ų140.681%0.80876%0.76SS**  trans69.4156.3148.3-82.3177.7171.6167.2-1.9116.9
1405L33.6Very low33.1Very low138 Ų138140.9 Ų140.972%0.72377%0.768SS**  cis-152152.28.6-111.7144.5000109.5
1406V35.1Very low33.3Very low122 Ų122139.5 Ų139.574%0.73977%0.766SS**  trans69.6137.4151.5165.80000117.1
1407R34.1Very low33.1Very low231 Ų231137.8 Ų137.887%0.87277%0.769SS**  cis-144.6158.510.8-147.5165.7-170.3167.71.3113.7
1408N34.6Very low33Very low158 Ų158135.4 Ų135.485%0.84577%0.768SS**  trans-68.5160.2176.5-43.5-15000114.2
1409G34.1Very low32.9Very low71 Ų71134.5 Ų134.573%0.73277%0.766SS**  trans155.766.416600000114.3
1410L33.6Very low32.8Very low182 Ų182137.5 Ų137.595%0.95377%0.77SS**  46.7107.389.6-96.3166.1000114.5
1411G35.3Very low33.2Very low70 Ų70143.1 Ų143.172%0.72278%0.775SS**  trans178.699.4173.200000116.6
1412I36.7Very low33.4Very low167 Ų167138.3 Ų138.386%0.85677%0.769SS**  trans-13.8139.1142.6-54.9136.6000114.3
1413G36.8Very low33.7Very low64 Ų64138.3 Ų138.366%0.6677%0.773SS**  cis125.7169.57.100000112.7
1414L32.9Very low33.8Very low165 Ų165137.8 Ų137.886%0.86478%0.775SS**  trans72.6153.8165.8-66.6170.3000118.9
1415P37.4Very low34Very low117 Ų117135.4 Ų135.476%0.7677%0.773SS**  trans-124.2-92.8-139.920.36.6000119
1416P34.6Very low34.3Very low96 Ų96133.9 Ų133.962%0.62377%0.771SS**  trans-124-173.7-140.242.1-23.8000114.9
1417L28.6Very low34.1Very low169 Ų169133.4 Ų133.489%0.88577%0.768SS**  trans68.1172.7174.5-49.9157.4000111.6
1418A31.7Very low34.1Very low79 Ų79128.9 Ų128.965%0.65376%0.762SS**  cis-149.8176.54.800000110.9
1419S30.9Very low34.1Very low99 Ų99127.4 Ų127.469%0.69275%0.753SS**  trans52.6112.915550.80000119
1420N30.7Very low33.9Very low149 Ų149132.3 Ų132.380%0.79776%0.756SS**  56.2103.678.6-67.6-20.5000115
1421Y35.2Very low33.9Very low234 Ų234128.3 Ų128.392%0.91874%0.741SS**  trans-171.1106.6134-89.4-65.2000106.3
1422A34.4Very low33.5Very low77 Ų77133.2 Ų133.264%0.63674%0.743SS**  cis93.9143.132.100000114.2
1423L34.3Very low33.1Very low149 Ų149132 Ų13278%0.7873%0.734SS**  trans71.8146.1-177.7-72.565.6000114.3
1424N35.4Very low32.7Very low142 Ų142138.2 Ų138.276%0.75974%0.742SS**  cis-149.7169.92.9-129.7-13000115.1
1425Q34.2Very low32.6Very low165 Ų165135.6 Ų135.677%0.77174%0.738SS**  trans-76.1-169.6170.5-58.8-176.8-12.700110.6
1426P38.8Very low32.3Very low105 Ų105137.1 Ų137.168%0.68274%0.74SS**  cis-154.9160.414.647.3-26.1000121.5
1427V32.3Very low32.4Very low112 Ų112138 Ų13868%0.67975%0.746SS**  60.9154.4127.8173.10000122.4
1428N32.9Very low32.7Very low136 Ų136137.5 Ų137.573%0.72774%0.743SS**  trans74.9160.2161.1-83.8-0.9000119.1
1429I35Very low32.8Very low128 Ų128139 Ų13966%0.65675%0.749SS**  cis-157.1136.4-36.1-124.4175.8000109.9
1430Q29.6Very low33Very low174 Ų174140 Ų14081%0.81375%0.746SS**  trans47.5-150.8159.7-56.1-168.86.700117.8
1431P34.4Very low33.5Very low98 Ų98137.4 Ų137.464%0.63674%0.738SS**  -136.3175.8-101.244-27000117.8
1432K27.8Very low33.5Very low172 Ų172131.4 Ų131.475%0.74872%0.718SS**  trans69125.8148.8-83.5179.3171.8-174.40120.5
1433Q27.2Very low33.5Very low143 Ų143134 Ų13467%0.66872%0.72SS**  trans68.6128.5133.5-65-177.9-78.500120.7
1434K28.4Very low33.4Very low193 Ų193132.7 Ų132.784%0.83971%0.71SS**  trans71.9146.2156.3-63.8170.6-179.8-174.70115.3
1435S31.8Very low33.2Very low111 Ų111133.2 Ų133.278%0.77671%0.712SS**  cis-162.1161.3-3.834.20000111.6
1436N31.3Very low33.1Very low149 Ų149131.1 Ų131.180%0.79771%0.711SS**  trans-50.4157167.9-76.411.6000113
1437P36.1Very low32.8Very low115 Ų115136.1 Ų136.175%0.74774%0.739SS**  -132.8154.392.737.7-28.2000116.4
1438L34Very low32.8Very low157 Ų157137.3 Ų137.382%0.82274%0.742SS**  trans-4.3151.9153.3-63.367.9000118.8
1439S34.3Very low32.8Very low111 Ų111137.4 Ų137.478%0.77674%0.743SS**  cis-154151.226.154.90000117
1440N35.5Very low32.7Very low120 Ų120137.9 Ų137.964%0.64275%0.747SS**  trans-30.2171.4150.1-87.528.9000117.9E1152E1152-N1440 VanDerWaalsContact CD-ND2 3.33Å; E1152-N1440 PolarHBondContact OE1-ND2 2.67Å; E1152-N1440 PolarHBondContact OE2-ND2 2.74Å
1441P40.3Very low32.9Very low95 Ų95135.8 Ų135.862%0.61774%0.743SS**  cis-138.1171.921.426-1000119.8E1152E1152-P1441 HydrophobicContact CB-CB 3.97Å; E1152-P1441 HydrophobicContact CG-CB 3.48Å; E1152-P1441 VanDerWaalsContact CG-CB 3.48Å; E1152-P1441 WeakPolarHBondContact OE1-CA 3.44Å; E1152-P1441 WeakPolarHBondContact OE1-CB 3.41Å
1442E35.4Very low32.8Very low107 Ų107138.1 Ų138.150%0.575%0.75SS.*  trans47.3153.2155.6-90.2165.2175.100121.5E1152 H1154E1152-E1442 HydrophobicContact CG-CB 4.5Å; E1152-E1442 VanDerWaalsContact CG-CD 3.43Å; E1152-E1442 HydrophobicContact CG-CG 3.77Å; E1152-E1442 PolarHBondContact OE1-N 3.25Å; H1154-E1442 PolarHBondContact N-OE1 2.7Å
1443L33.9Very low33.1Very low131 Ų131135.9 Ų135.969%0.68675%0.75SS**  cis-143.8-179.27.3-146.1132.2000111.5
1444Q32.6Very low33.6Very low122 Ų122135.4 Ų135.457%0.5776%0.756SS**  trans-71.9171.7179.9-62.8155.5-57.900113.1H1154H1154-Q1444 VanDerWaalsContact CE1-CD 3.46Å
1445L31.8Very low34Very low154 Ų154130.9 Ų130.981%0.80675%0.75SS**  cis-150.2162.924.5-129.7126.2000112.6
1446T32.6Very low34.1Very low120 Ų120132.6 Ų132.674%0.73675%0.748SS**  trans-78.5162.6165.447.80000111.4
1447V31.9Very low34.4Very low210 Ų210131.1 Ų131.1100%1.27374%0.743SS**  cis-126.6025.41720000111.5

Retrieved 1,447 of 1,447 residues in 665.7 ms (Link to these results)