A0A087YI56_POEFO Loading...

ADAM metallopeptidase domain 12

AlphaFold DB , UniProt , Accession A0A087YI56, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 853 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
1V36.6Very low36.9Very low65 Ų65132 Ų13239%0.39465%0.646SS.*  0143.901760000109.5L3 T14 I16 L64 L70V1-L3 HydrophobicContact CG1-CD2 3.72Å; V1-L3 HydrophobicContact CG1-CG 3.95Å; V1-T14 PolarHBondContact N-OG1 3.3Å; V1-I16 HydrophobicContact CG2-CD1 4.19Å; V1-L64 HydrophobicContact CG2-CD1 4.31Å; V1-L70 HydrophobicContact CB-CD2 4.21Å; V1-L70 HydrophobicContact CG1-CD2 3.7Å; V1-L70 HydrophobicContact CG2-CD1 4.35Å; V1-L70 HydrophobicContact CG2-CD2 3.89Å
2H33.3Very low37.9Very low169 Ų169122.9 Ų122.978%0.78260%0.602SS**  trans-96.5103.8169.2-69-59.2000111.1
3L39.5Very low38.5Very low28 Ų28115.2 Ų115.215%0.14757%0.573CS.*  trans-92.6139.9178.3-63.9171.9000110.6V1 L70 I83 I96V1-L3 HydrophobicContact CG1-CD2 3.72Å; V1-L3 HydrophobicContact CG1-CG 3.95Å; L3-L70 HydrophobicContact CD2-CD2 4.04Å; L3-I83 HydrophobicContact CD1-CD1 3.53Å; L3-I83 HydrophobicContact CD1-CG1 4.19Å; L3-I96 HydrophobicContact CB-CD1 3.66Å; L3-I96 HydrophobicContact CD1-CD1 4.01Å; L3-I96 HydrophobicContact CD2-CD1 4Å; L3-I96 HydrophobicContact CG-CD1 4.08Å
4K35.1Very low39.3Very low184 Ų184108.1 Ų108.180%0.854%0.539SS*.  trans-135.5107.9-171.9-172.2-177.7-179.7-173.80111.5
5K34.8Very low39.9Very low135 Ų135107.4 Ų107.459%0.58753%0.534SS*.  trans-81.1133.3171.5-163.7166.4-176.5160.40110.1
6Q37Very low40.1Very low176 Ų176104.3 Ų104.382%0.82252%0.519SS*.THydrogen-bonded Turntrans-62141.9165.8-78.8177.9-15.900109N8Q6-N8 PolarHBondContact O-N 3.19Å
7T35.1Very low40.7Very low141 Ų141100.4 Ų100.487%0.86550%0.498SS*.THydrogen-bonded Turntrans74.1-13.2179.677.20000120.4
8N36.5Very low41.2Very low134 Ų13496.4 Ų96.472%0.71748%0.478SS*.SBendtrans-153.1128.9163.2-98.9-37.2000112.6Q6 M10Q6-N8 PolarHBondContact O-N 3.19Å; N8-M10 PolarHBondContact O-N 3.42Å; N8-M10 VanDerWaalsContact O-N 3.17Å
9K36.1Very low42.1Very low188 Ų18892.2 Ų92.282%0.81746%0.457SS*.  trans-77.699.1-177.7-71.7-177.5-178.6176.40111.4
10M38.6Very low42.9Very low101 Ų10187.7 Ų87.750%0.49844%0.435SS..  trans-101.8106.4161.6-174.4169.2171.200108.3N8 L12 F81N8-M10 PolarHBondContact O-N 3.42Å; N8-M10 VanDerWaalsContact O-N 3.17Å; M10-L12 HydrophobicContact CE-CD1 4.19Å; M10-F81 HydrophobicContact CE-CZ 4.4Å
11I43.2Very low44.2Very low131 Ų13183.7 Ų83.767%0.67242%0.415SS*.  trans-91.4106.6176.3-58.9176.3000107.2
12L48.8Very low45.8Very low23 Ų2381.1 Ų81.112%0.1240%0.399CS..  trans-98106.7174.4-156.869.9000109.3M10 T14 V54 V74 L76M10-L12 HydrophobicContact CE-CD1 4.19Å; L12-T14 HydrophobicContact CD2-CG2 4.29Å; L12-T14 HydrophobicContact CG-CG2 4.33Å; L12-V54 HydrophobicContact CD1-CG1 3.56Å; L12-V54 HydrophobicContact CD1-CG2 4.28Å; L12-V54 HydrophobicContact CD2-CG2 4.14Å; L12-V54 HydrophobicContact CG-CG1 3.97Å; L12-V54 HydrophobicContact CG-CG2 4.24Å; L12-V74 HydrophobicContact CD2-CB 4.41Å; L12-V74 HydrophobicContact CD2-CG1 3.79Å; L12-V74 HydrophobicContact CD2-CG2 4.48Å; L12-L76 HydrophobicContact CD1-CD2 4.04Å
13G46.3Very low47.4Very low22 Ų2273 Ų7323%0.22736%0.361CS..  trans-77.7117.8169.500000109.3R55G13-R55 PolarHBondContact O-N 2.94Å
14T49.5Very low48.3Very low17 Ų1773.1 Ų73.110%0.10436%0.364CS..EExtended strand (participates in β ladder)trans-113.2130.3175.454.10000110.9V1 L12 E53 V54 V62V1-T14 PolarHBondContact N-OG1 3.3Å; L12-T14 HydrophobicContact CD2-CG2 4.29Å; L12-T14 HydrophobicContact CG-CG2 4.33Å; T14-E53 WeakPolarHBondContact CA-O 3.25Å; T14-V54 HydrophobicContact CG2-CG2 4.33Å; T14-V62 HydrophobicContact CG2-CG1 4.42Å; T14-V62 HydrophobicContact CG2-CG2 3.78Å
15E48.3Very low50Low97 Ų9767.9 Ų67.945%0.45334%0.342SS..EExtended strand (participates in β ladder)trans-92.998.4169.8-85165.9-169.300107.7G52 E53 R55E15-G52 CarbonylContact O-C 3.08Å; E15-G52 WeakPolarHBondContact O-CA 3.2Å; E15-E53 PolarHBondContact N-O 2.86Å; E15-E53 PolarHBondContact O-N 3.36Å; E15-R55 HydrophobicContact CG-CG 3.85Å; E15-R55 WeakPolarHBondContact OE1-CG 3.39Å; E15-R55 IonicContact OE1-CZ 3.42Å; E15-R55 IonicContact OE1-NE 3.64Å; E15-R55 PolarHBondContact OE1-NE 2.96Å; E15-R55 IonicContact OE1-NH2 2.77Å
16I43.6Very low52.1Low58 Ų5861.6 Ų61.630%0.29732%0.315SS..EExtended strand (participates in β ladder)trans-106.1128.4-175.852.6167000110.1V1 Y50 V62 L64V1-I16 HydrophobicContact CG2-CD1 4.19Å; I16-Y50 HydrophobicContact CD1-CD1 4.43Å; I16-V62 HydrophobicContact CG2-CG1 3.69Å; I16-L64 HydrophobicContact CG2-CD1 3.91Å
17K49.7Very low54.5Low38 Ų3854.6 Ų54.617%0.16529%0.285CS..EExtended strand (participates in β ladder)trans-111.3134178.6-59.8170.5-167.1152.20108.3Q19 Y50 H51 E375K17-Q19 HydrophobicContact CB-CG 4.48Å; K17-Y50 CarbonylContact O-C 3.57Å; K17-Y50 VanDerWaalsContact O-CA 3.25Å; K17-Y50 WeakPolarHBondContact O-CA 3.47Å; K17-H51 WeakPolarHBondContact CA-O 3.34Å; K17-H51 WeakPolarHBondContact CB-O 3.38Å; K17-H51 PolarHBondContact N-O 3.43Å; K17-H51 PolarHBondContact O-N 3.17Å; K17-H51 VanDerWaalsContact O-O 3.11Å; K17-E375 VanDerWaalsContact CE-OE2 3.3Å; K17-E375 WeakPolarHBondContact CE-OE2 3.41Å; K17-E375 IonicContact NZ-OE1 2.72Å; K17-E375 PolarHBondContact NZ-OE1 2.95Å; K17-E375 IonicContact NZ-OE2 3.76Å; K17-E375 PolarHBondContact NZ-OE2 2.89Å
18Q50.1Low57.1Low28 Ų2848.3 Ų48.313%0.13125%0.245CC..EExtended strand (participates in β ladder)trans-73132.9171.6-155.41660.800106.4N47 Y50 K356 N359Q18-N47 HydrophobicContact CG-CB 4.12Å; Q18-N47 PolarHBondContact NE2-O 2.8Å; Q18-Y50 HydrophobicContact CB-CD1 3.99Å; Q18-Y50 HydrophobicContact CB-CE1 3.81Å; Q18-Y50 HydrophobicContact CG-CD1 4.27Å; Q18-Y50 HydrophobicContact CG-CE1 3.78Å; Q18-K356 HydrophobicContact CB-CD 4.47Å; Q18-K356 VanDerWaalsContact OE1-NZ 3.1Å; Q18-N359 WeakPolarHBondContact O-CB 3.07Å
19Q57.6Low59.8Low17 Ų1742.7 Ų42.78%0.07922%0.216CC..  trans-133.1142.9-176.5-66.2-155.8-30.300111.5K17 L21 N47 H51K17-Q19 HydrophobicContact CB-CG 4.48Å; Q19-L21 PolarHBondContact O-N 3.24Å; Q19-L21 VanDerWaalsContact O-N 3.15Å; Q19-N47 PolarHBondContact O-ND2 2.87Å; Q19-H51 HydrophobicContact CG-CB 4.27Å; Q19-H51 PolarHBondContact OE1-ND1 3.23Å
20G58.7Low62.5Low2 Ų235.8 Ų35.82%0.02119%0.186CC..  trans-64.7112.2176.600000111.7Y361G20-Y361 VanDerWaalsContact O-CE2 3.32Å; G20-Y361 WeakPolarHBondContact O-CE2 3.25Å; G20-Y361 PolarHBondContact O-OH 3.46Å
21L69.4Low65.2Low3 Ų332.5 Ų32.52%0.01617%0.169CC..  trans-103.9-31.1174.3179.961.7000112Q19 Y49 A175 N176 D179 L191Q19-L21 PolarHBondContact O-N 3.24Å; Q19-L21 VanDerWaalsContact O-N 3.15Å; L21-Y49 HydrophobicContact CD2-CD1 4.41Å; L21-Y49 HydrophobicContact CD2-CD2 4.03Å; L21-Y49 HydrophobicContact CD2-CE2 4.45Å; L21-Y49 HydrophobicContact CD2-CG 4.02Å; L21-A175 HydrophobicContact CD1-CB 4.03Å; L21-A175 HydrophobicContact CD2-CB 4.37Å; L21-N176 HydrophobicContact CD2-CB 3.84Å; L21-D179 HydrophobicContact CD1-CB 4.45Å; L21-L191 WeakPolarHBondContact O-CB 3.34Å; L21-L191 PolarHBondContact O-N 3.05Å
22F70.6Confident67.5Low11 Ų1133.5 Ų33.55%0.04816%0.164CC..EExtended strand (participates in β ladder)trans-100.8140.6-174.6-56.5-84.7000111.2Y26 Y49 A172 L191 L351F22-Y26 HydrophobicContact CB-CG 4.25Å; F22-Y26 AromaticContact CD1-CD1 3.81Å; F22-Y26 HydrophobicContact CD1-CD1 3.81Å; F22-Y26 AromaticContact CD1-CD2 3.74Å; F22-Y26 HydrophobicContact CD1-CD2 3.74Å; F22-Y26 AromaticContact CD1-CE1 3.69Å; F22-Y26 HydrophobicContact CD1-CE1 3.69Å; F22-Y26 AromaticContact CD1-CE2 3.65Å; F22-Y26 HydrophobicContact CD1-CE2 3.65Å; F22-Y26 AromaticContact CD1-CG 3.83Å; F22-Y26 HydrophobicContact CD1-CG 3.83Å; F22-Y26 AromaticContact CD1-CZ 3.63Å; F22-Y26 HydrophobicContact CE1-CD1 4.43Å; F22-Y26 AromaticContact CE1-CE1 3.86Å; F22-Y26 HydrophobicContact CE1-CE1 3.86Å; F22-Y26 AromaticContact CE1-CE2 3.97Å; F22-Y26 HydrophobicContact CE1-CE2 3.97Å; F22-Y26 AromaticContact CE1-CZ 3.61Å; F22-Y26 HydrophobicContact CG-CD1 4.47Å; F22-Y26 HydrophobicContact CG-CG 4.47Å; F22-Y49 AromaticContact CE2-CD2 3.84Å; F22-Y49 HydrophobicContact CE2-CD2 3.84Å; F22-Y49 AromaticContact CE2-CE2 3.77Å; F22-Y49 HydrophobicContact CE2-CE2 3.77Å; F22-Y49 HydrophobicContact CZ-CD2 4.24Å; F22-Y49 AromaticContact CZ-CE2 3.75Å; F22-Y49 HydrophobicContact CZ-CE2 3.75Å; F22-A172 HydrophobicContact CE1-CB 4.34Å; F22-A172 HydrophobicContact CZ-CB 4.05Å; F22-L191 WeakPolarHBondContact CA-O 3.33Å; F22-L191 HydrophobicContact CD1-CB 4.43Å; F22-L191 HydrophobicContact CD1-CD2 4Å; F22-L191 HydrophobicContact CE1-CD2 3.75Å; F22-L351 WeakPolarHBondContact O-CD2 3.49Å
23A67.4Low69.3Low0 Ų042.1 Ų42.10%020%0.203CC..EExtended strand (participates in β ladder)trans-82.2163.5172.600000112.5H25 Y26 L191 V192 P346A23-H25 PolarHBondContact O-N 3.06Å; A23-Y26 WeakPolarHBondContact O-CB 3.3Å; A23-Y26 PolarHBondContact O-N 3.43Å; A23-L191 PolarHBondContact N-O 3.37Å; A23-V192 HydrophobicContact CB-CB 4.42Å; A23-V192 HydrophobicContact CB-CG1 3.68Å; A23-P346 HydrophobicContact CB-CB 4.49Å
24S58.8Low71.4Confident30 Ų3047 Ų4721%0.2122%0.224CC..EExtended strand (participates in β ladder)trans-63.3-25.6-178.565.80000115.3Y26 E347 V350S24-Y26 VanDerWaalsContact C-N 3.32Å; S24-E347 WeakPolarHBondContact CB-O 3.42Å; S24-E347 PolarHBondContact N-O 2.85Å; S24-E347 PolarHBondContact OG-O 2.9Å; S24-V350 WeakPolarHBondContact CA-O 3.43Å
25H69.6Low73.2Confident74 Ų7447.7 Ų47.734%0.34324%0.235SC..EExtended strand (participates in β ladder)trans-99.625.6176.962.1-92.7000111.6A23 T27 E147 V192A23-H25 PolarHBondContact O-N 3.06Å; H25-T27 PolarHBondContact O-N 2.89Å; H25-E147 IonicContact CE1-OE1 3.05Å; H25-V192 VanDerWaalsContact NE2-CG1 3.34Å; H25-V192 WeakPolarHBondContact NE2-CG1 3.38Å
26Y79.9Confident75.1Confident2 Ų245.3 Ų45.31%0.00823%0.23CC..EExtended strand (participates in β ladder)trans-59.5130175.3178-109000111.3F22 A23 S24 E28 H42 L191 V192 L194 Y352F22-Y26 HydrophobicContact CB-CG 4.25Å; F22-Y26 AromaticContact CD1-CD1 3.81Å; F22-Y26 HydrophobicContact CD1-CD1 3.81Å; F22-Y26 AromaticContact CD1-CD2 3.74Å; F22-Y26 HydrophobicContact CD1-CD2 3.74Å; F22-Y26 AromaticContact CD1-CE1 3.69Å; F22-Y26 HydrophobicContact CD1-CE1 3.69Å; F22-Y26 AromaticContact CD1-CE2 3.65Å; F22-Y26 HydrophobicContact CD1-CE2 3.65Å; F22-Y26 AromaticContact CD1-CG 3.83Å; F22-Y26 HydrophobicContact CD1-CG 3.83Å; F22-Y26 AromaticContact CD1-CZ 3.63Å; F22-Y26 HydrophobicContact CE1-CD1 4.43Å; F22-Y26 AromaticContact CE1-CE1 3.86Å; F22-Y26 HydrophobicContact CE1-CE1 3.86Å; F22-Y26 AromaticContact CE1-CE2 3.97Å; F22-Y26 HydrophobicContact CE1-CE2 3.97Å; F22-Y26 AromaticContact CE1-CZ 3.61Å; F22-Y26 HydrophobicContact CG-CD1 4.47Å; F22-Y26 HydrophobicContact CG-CG 4.47Å; A23-Y26 WeakPolarHBondContact O-CB 3.3Å; A23-Y26 PolarHBondContact O-N 3.43Å; S24-Y26 VanDerWaalsContact C-N 3.32Å; Y26-E28 HydrophobicContact CE1-CG 3.63Å; Y26-E28 WeakPolarHBondContact OH-CG 3.35Å; Y26-E28 PolarHBondContact OH-OE1 3.17Å; Y26-H42 HydrophobicContact CD1-CB 3.85Å; Y26-H42 HydrophobicContact CE1-CB 3.56Å; Y26-L191 HydrophobicContact CD2-CG 4.4Å; Y26-L191 WeakPolarHBondContact CD2-O 3.48Å; Y26-L191 HydrophobicContact CE2-CD2 3.9Å; Y26-L191 HydrophobicContact CE2-CG 3.96Å; Y26-V192 WeakPolarHBondContact CA-O 3.12Å; Y26-L194 HydrophobicContact CE2-CG 4.15Å; Y26-L194 WeakPolarHBondContact OH-CD1 3.36Å; Y26-L194 VanDerWaalsContact OH-CG 3.26Å; Y26-L194 WeakPolarHBondContact OH-CG 3.09Å; Y26-Y352 HydrophobicContact CD1-CD2 4.06Å; Y26-Y352 HydrophobicContact CD1-CE2 4.2Å
27T86.8Confident77.4Confident30 Ų3045.2 Ų45.218%0.18424%0.237CC..EExtended strand (participates in β ladder)trans-140152.3174.579.20000110.5H25 T39 G40 G193 L194 K228H25-T27 PolarHBondContact O-N 2.89Å; T27-T39 HydrophobicContact CG2-CG2 4.21Å; T27-T39 WeakPolarHBondContact OG1-CG2 3.47Å; T27-G40 WeakPolarHBondContact CA-O 3.27Å; T27-G40 WeakPolarHBondContact CB-O 3.33Å; T27-G193 VanDerWaalsContact O-CA 3.25Å; T27-G193 WeakPolarHBondContact O-CA 3.47Å; T27-L194 PolarHBondContact O-N 3.01Å; T27-L194 VanDerWaalsContact O-N 3.15Å; T27-K228 PolarHBondContact O-NZ 3.06Å; T27-K228 PolarHBondContact OG1-NZ 3.07Å
28E89.6Confident79.4Confident8 Ų845.2 Ų45.24%0.03724%0.24CC..EExtended strand (participates in β ladder)trans-116.8117.7178.5-58.3-171.6147.400109.4Y26 T39 G40 H42 K168 L194Y26-E28 HydrophobicContact CE1-CG 3.63Å; Y26-E28 WeakPolarHBondContact OH-CG 3.35Å; Y26-E28 PolarHBondContact OH-OE1 3.17Å; E28-T39 CarbonylContact O-C 3.57Å; E28-T39 WeakPolarHBondContact O-CA 3.27Å; E28-G40 PolarHBondContact N-O 3.29Å; E28-G40 PolarHBondContact O-N 2.85Å; E28-H42 HydrophobicContact CG-CB 4.26Å; E28-H42 IonicContact OE1-CD2 3.41Å; E28-H42 IonicContact OE1-CE1 2.87Å; E28-H42 PolarHBondContact OE1-CE1 2.95Å; E28-H42 IonicContact OE1-CG 3.44Å; E28-H42 IonicContact OE1-ND1 3.72Å; E28-H42 PolarHBondContact OE1-ND1 3.34Å; E28-H42 IonicContact OE1-NE2 2.61Å; E28-H42 IonicContact OE2-CE1 2.67Å; E28-H42 PolarHBondContact OE2-CE1 2.78Å; E28-H42 IonicContact OE2-CG 2.79Å; E28-H42 IonicContact OE2-ND1 2.9Å; E28-H42 PolarHBondContact OE2-ND1 2.87Å; E28-K168 WeakPolarHBondContact OE2-CD 3.22Å; E28-K168 WeakPolarHBondContact OE2-CE 3.4Å; E28-K168 IonicContact OE2-NZ 3.69Å; E28-K168 PolarHBondContact OE2-NZ 3.43Å; E28-L194 WeakPolarHBondContact CA-O 3.3Å
29T92.7Very high81.2Confident16 Ų1647.7 Ų47.710%0.09826%0.258CS..EExtended strand (participates in β ladder)trans-102.5130.3175.7-61.50000109.5Y31 A37 T39 L194 E195 V196T29-Y31 HydrophobicContact CG2-CE2 4.03Å; T29-A37 HydrophobicContact CG2-CB 4.25Å; T29-T39 PolarHBondContact OG1-OG1 3.48Å; T29-L194 PolarHBondContact N-O 3.48Å; T29-E195 HydrophobicContact CG2-CG 4.03Å; T29-E195 CarbonylContact O-C 3.57Å; T29-E195 WeakPolarHBondContact O-CA 3.46Å; T29-V196 PolarHBondContact O-N 3.12Å
30H94Very high82.2Confident43 Ų4348.3 Ų48.320%0.19927%0.269CS..EExtended strand (participates in β ladder)trans-134.8173.9165.565.9-73.5000108.8V38 L164H30-V38 WeakPolarHBondContact CE1-CG1 3.45Å; H30-V38 PolarHBondContact N-O 3.38Å; H30-V38 PolarHBondContact ND1-O 3.2Å; H30-V38 VanDerWaalsContact ND1-O 3.17Å; H30-V38 PolarHBondContact O-N 2.88Å; H30-L164 HydrophobicContact CB-CD1 4.39Å; H30-L164 HydrophobicContact CB-CD2 3.87Å
31Y94.6Very high82.8Confident33 Ų3353.1 Ų53.113%0.12930%0.298CS..EExtended strand (participates in β ladder)trans-125.8139.7-172.5-67.5-92.2000111.9T29 S36 A37 E195 V196 W197 S198 D199T29-Y31 HydrophobicContact CG2-CE2 4.03Å; Y31-S36 WeakPolarHBondContact CA-O 3.29Å; Y31-A37 HydrophobicContact CD1-CB 4.09Å; Y31-A37 HydrophobicContact CE1-CB 3.67Å; Y31-E195 HydrophobicContact CE2-CG 4.08Å; Y31-E195 PolarHBondContact OH-OE1 3.43Å; Y31-E195 VanDerWaalsContact OH-OE1 3.11Å; Y31-V196 WeakPolarHBondContact CD2-O 3.26Å; Y31-W197 AromaticContact CE2-CD1 3.84Å; Y31-S198 PolarHBondContact N-OG 3.34Å; Y31-S198 PolarHBondContact O-OG 2.79Å; Y31-D199 WeakPolarHBondContact CB-OD1 3.48Å
32R91.1Very high82.4Confident152 Ų15254.1 Ų54.157%0.57430%0.302SS*.  trans-79.1167.4171.9-68.9178.1-171.5-113.4-3.8110.9D34 G35 S36 V38 D199R32-D34 VanDerWaalsContact CB-OD1 3.25Å; R32-D34 WeakPolarHBondContact CB-OD1 3.32Å; R32-D34 PolarHBondContact O-N 3.5Å; R32-D34 VanDerWaalsContact O-N 3.14Å; R32-G35 WeakPolarHBondContact O-CA 3.39Å; R32-G35 PolarHBondContact O-N 3.45Å; R32-S36 WeakPolarHBondContact CD-OG 3.39Å; R32-S36 PolarHBondContact N-O 3.4Å; R32-V38 HydrophobicContact CG-CG2 3.72Å; R32-D199 WeakPolarHBondContact O-CB 3.29Å
33E87.8Confident81.4Confident203 Ų20360.6 Ų60.695%0.94934%0.337SS*.THydrogen-bonded Turntrans-59.6-22.2177.8-60.8-175.5162.600114.1G35E33-G35 VanDerWaalsContact C-N 3.26Å
34D89Confident80.7Confident124 Ų12465.9 Ų65.966%0.66336%0.36SS*.THydrogen-bonded Turntrans-83.83.3173.766.7-0.4000113.7R32 S36R32-D34 VanDerWaalsContact CB-OD1 3.25Å; R32-D34 WeakPolarHBondContact CB-OD1 3.32Å; R32-D34 PolarHBondContact O-N 3.5Å; R32-D34 VanDerWaalsContact O-N 3.14Å; D34-S36 VanDerWaalsContact C-N 3.26Å; D34-S36 PolarHBondContact O-N 2.79Å; D34-S36 WeakPolarHBondContact OD1-CB 3.34Å; D34-S36 PolarHBondContact OD1-N 2.8Å; D34-S36 PolarHBondContact OD1-OG 2.86Å; D34-S36 PolarHBondContact OD2-OG 2.82Å
35G87.5Confident79.9Confident33 Ų3369.7 Ų69.734%0.3438%0.382SS..SBendtrans76.74.6-176.600000114.6R32 E33R32-G35 WeakPolarHBondContact O-CA 3.39Å; R32-G35 PolarHBondContact O-N 3.45Å; E33-G35 VanDerWaalsContact C-N 3.26Å
36S89.2Confident79Confident47 Ų4771.6 Ų71.633%0.32940%0.395SS..  trans-73.4134176.865.60000111.7Y31 R32 D34Y31-S36 WeakPolarHBondContact CA-O 3.29Å; R32-S36 WeakPolarHBondContact CD-OG 3.39Å; R32-S36 PolarHBondContact N-O 3.4Å; D34-S36 VanDerWaalsContact C-N 3.26Å; D34-S36 PolarHBondContact O-N 2.79Å; D34-S36 WeakPolarHBondContact OD1-CB 3.34Å; D34-S36 PolarHBondContact OD1-N 2.8Å; D34-S36 PolarHBondContact OD1-OG 2.86Å; D34-S36 PolarHBondContact OD2-OG 2.82Å
37A91.4Very high78.1Confident56 Ų5672.2 Ų72.246%0.46340%0.399SS..EExtended strand (participates in β ladder)trans-74.9130.3177.500000110.7T29 Y31T29-A37 HydrophobicContact CG2-CB 4.25Å; Y31-A37 HydrophobicContact CD1-CB 4.09Å; Y31-A37 HydrophobicContact CE1-CB 3.67Å
38V91.4Very high77.5Confident37 Ų3771.6 Ų71.622%0.22440%0.396CS..EExtended strand (participates in β ladder)trans-114.296.6171.5-177.30000107.6H30 R32H30-V38 WeakPolarHBondContact CE1-CG1 3.45Å; H30-V38 PolarHBondContact N-O 3.38Å; H30-V38 PolarHBondContact ND1-O 3.2Å; H30-V38 VanDerWaalsContact ND1-O 3.17Å; H30-V38 PolarHBondContact O-N 2.88Å; R32-V38 HydrophobicContact CG-CG2 3.72Å
39T88.4Confident76.9Confident81 Ų8171.8 Ų71.850%0.49740%0.396SS..EExtended strand (participates in β ladder)trans-91116.5172.1-55.80000109.2T27 E28 T29T27-T39 HydrophobicContact CG2-CG2 4.21Å; T27-T39 WeakPolarHBondContact OG1-CG2 3.47Å; E28-T39 CarbonylContact O-C 3.57Å; E28-T39 WeakPolarHBondContact O-CA 3.27Å; T29-T39 PolarHBondContact OG1-OG1 3.48Å
40G79.4Confident76Confident30 Ų3073.4 Ų73.431%0.30940%0.401SS..EExtended strand (participates in β ladder)trans-106.1148.7171.100000111.5T27 E28T27-G40 WeakPolarHBondContact CA-O 3.27Å; T27-G40 WeakPolarHBondContact CB-O 3.33Å; E28-G40 PolarHBondContact N-O 3.29Å; E28-G40 PolarHBondContact O-N 2.85Å
41T71.2Confident75.2Confident103 Ų10371.5 Ų71.563%0.63239%0.392SS*.  trans-73132.9151.849.70000107.6Y352T41-Y352 WeakPolarHBondContact CB-OH 3.43Å
42H60.9Low74.2Confident23 Ų2370.1 Ų70.111%0.10639%0.388CS..  trans-65.5159.4-179-161.951.6000110.9Y26 E28 F44 Y352Y26-H42 HydrophobicContact CD1-CB 3.85Å; Y26-H42 HydrophobicContact CE1-CB 3.56Å; E28-H42 HydrophobicContact CG-CB 4.26Å; E28-H42 IonicContact OE1-CD2 3.41Å; E28-H42 IonicContact OE1-CE1 2.87Å; E28-H42 PolarHBondContact OE1-CE1 2.95Å; E28-H42 IonicContact OE1-CG 3.44Å; E28-H42 IonicContact OE1-ND1 3.72Å; E28-H42 PolarHBondContact OE1-ND1 3.34Å; E28-H42 IonicContact OE1-NE2 2.61Å; E28-H42 IonicContact OE2-CE1 2.67Å; E28-H42 PolarHBondContact OE2-CE1 2.78Å; E28-H42 IonicContact OE2-CG 2.79Å; E28-H42 IonicContact OE2-ND1 2.9Å; E28-H42 PolarHBondContact OE2-ND1 2.87Å; H42-F44 AromaticContact CD2-CD2 3.78Å; H42-F44 AromaticContact CE1-CD2 3.77Å; H42-F44 AromaticContact CE1-CE2 3.75Å; H42-F44 AromaticContact NE2-CD2 3.07Å; H42-F44 WeakPolarHBondContact NE2-CD2 3.47Å; H42-F44 AromaticContact NE2-CE2 3.39Å; H42-F44 WeakPolarHBondContact NE2-CE2 3.31Å; H42-Y352 WeakPolarHBondContact O-CE1 3.46Å; H42-Y352 PolarHBondContact O-OH 2.82Å
43N49.7Very low73.3Confident147 Ų14766.6 Ų66.679%0.78638%0.378SS*.  trans-134.637-167.6-15516.3000113.4
44F52.8Low72.9Confident111 Ų11157.2 Ų57.249%0.48734%0.335SS..  trans-88.1127.7165.5-78.7-53000111.5H42 N46H42-F44 AromaticContact CD2-CD2 3.78Å; H42-F44 AromaticContact CE1-CD2 3.77Å; H42-F44 AromaticContact CE1-CE2 3.75Å; H42-F44 AromaticContact NE2-CD2 3.07Å; H42-F44 WeakPolarHBondContact NE2-CD2 3.47Å; H42-F44 AromaticContact NE2-CE2 3.39Å; H42-F44 WeakPolarHBondContact NE2-CE2 3.31Å; F44-N46 VanDerWaalsContact C-N 3.31Å
45T41.7Very low72Confident110 Ų11058 Ų5868%0.67533%0.328SS*.SBendtrans-80.6-4.4173.339.50000114G353T45-G353 CarbonylContact O-C 3.6Å; T45-G353 VanDerWaalsContact O-C 3.31Å
46N51Low71.3Confident115 Ų11565.5 Ų65.562%0.61535%0.354SS*.SBendtrans-141127.3-177.8-73-50.4000111.6F44 C48F44-N46 VanDerWaalsContact C-N 3.31Å; N46-C48 PolarHBondContact O-N 3.46Å
47N61.1Low70.5Confident14 Ų1466.7 Ų66.78%0.07536%0.355CS..  trans-76.9122.8176-179.82.6000108.2Q18 Q19 Y49 Y50 Y352Q18-N47 HydrophobicContact CG-CB 4.12Å; Q18-N47 PolarHBondContact NE2-O 2.8Å; Q19-N47 PolarHBondContact O-ND2 2.87Å; N47-Y49 PolarHBondContact OD1-N 2.91Å; N47-Y49 VanDerWaalsContact OD1-N 3.15Å; N47-Y50 PolarHBondContact O-OH 2.97Å; N47-Y352 WeakPolarHBondContact CA-O 3.37Å; N47-Y352 WeakPolarHBondContact CB-O 3.42Å
48C73.9Confident69.1Low18 Ų1868.6 Ų68.612%0.12236%0.362CS..  trans-107.110.8-172.7520000113.9N46 Y50 S65 A66 C67N46-C48 PolarHBondContact O-N 3.46Å; C48-Y50 VanDerWaalsContact O-CD2 3.32Å; C48-Y50 WeakPolarHBondContact O-CD2 3.28Å; C48-Y50 VanDerWaalsContact O-CE2 3.25Å; C48-Y50 WeakPolarHBondContact O-CE2 3.45Å; C48-S65 CarbonylContact O-C 3.58Å; C48-S65 WeakPolarHBondContact O-CA 3.42Å; C48-A66 PolarHBondContact O-N 3.47Å; C48-C67 HydrophobicContact CB-CB 3.83Å; C48-C67 WeakPolarHBondContact CB-SG 3.38Å; C48-C67 VanDerWaalsContact SG-CA 3.55Å; C48-C67 WeakPolarHBondContact SG-CB 3.37Å; C48-C67 CovalentContact SG-SG 2.03Å; C48-C67 PolarHBondContact SG-SG 2.88Å
49Y75.6Confident68Low11 Ų1174.2 Ų74.24%0.04339%0.391CS..EExtended strand (participates in β ladder)trans-105.1134.7178.4-59.6-77.3000112L21 F22 N47 C67 A172 E173 N176L21-Y49 HydrophobicContact CD2-CD1 4.41Å; L21-Y49 HydrophobicContact CD2-CD2 4.03Å; L21-Y49 HydrophobicContact CD2-CE2 4.45Å; L21-Y49 HydrophobicContact CD2-CG 4.02Å; F22-Y49 AromaticContact CE2-CD2 3.84Å; F22-Y49 HydrophobicContact CE2-CD2 3.84Å; F22-Y49 AromaticContact CE2-CE2 3.77Å; F22-Y49 HydrophobicContact CE2-CE2 3.77Å; F22-Y49 HydrophobicContact CZ-CD2 4.24Å; F22-Y49 AromaticContact CZ-CE2 3.75Å; F22-Y49 HydrophobicContact CZ-CE2 3.75Å; N47-Y49 PolarHBondContact OD1-N 2.91Å; N47-Y49 VanDerWaalsContact OD1-N 3.15Å; Y49-C67 PolarHBondContact OH-SG 2.81Å; Y49-A172 HydrophobicContact CE1-CB 4.38Å; Y49-A172 HydrophobicContact CE2-CB 4.16Å; Y49-A172 WeakPolarHBondContact OH-CB 3.27Å; Y49-E173 HydrophobicContact CE1-CG 3.8Å; Y49-N176 HydrophobicContact CD1-CB 3.85Å; Y49-N176 HydrophobicContact CG-CB 4.4Å
50Y75Confident67.3Low51 Ų5170.5 Ų70.520%0.237%0.368CS..EExtended strand (participates in β ladder)trans-138137.6-170.9-57.8-92.1000112.5I16 K17 Q18 N47 C48 T63 L64 A66I16-Y50 HydrophobicContact CD1-CD1 4.43Å; K17-Y50 CarbonylContact O-C 3.57Å; K17-Y50 VanDerWaalsContact O-CA 3.25Å; K17-Y50 WeakPolarHBondContact O-CA 3.47Å; Q18-Y50 HydrophobicContact CB-CD1 3.99Å; Q18-Y50 HydrophobicContact CB-CE1 3.81Å; Q18-Y50 HydrophobicContact CG-CD1 4.27Å; Q18-Y50 HydrophobicContact CG-CE1 3.78Å; N47-Y50 PolarHBondContact O-OH 2.97Å; C48-Y50 VanDerWaalsContact O-CD2 3.32Å; C48-Y50 WeakPolarHBondContact O-CD2 3.28Å; C48-Y50 VanDerWaalsContact O-CE2 3.25Å; C48-Y50 WeakPolarHBondContact O-CE2 3.45Å; Y50-T63 WeakPolarHBondContact O-CA 3.33Å; Y50-L64 PolarHBondContact N-O 3.45Å; Y50-L64 PolarHBondContact O-N 2.87Å; Y50-A66 HydrophobicContact CD2-CB 4.48Å; Y50-A66 HydrophobicContact CE2-CB 3.96Å
51H75.9Confident67.2Low2 Ų271.7 Ų71.71%0.00937%0.368CS..EExtended strand (participates in β ladder)trans-117.3144.8169.7-67.8141.6000110.3K17 Q19 V62 N176 D179K17-H51 WeakPolarHBondContact CA-O 3.34Å; K17-H51 WeakPolarHBondContact CB-O 3.38Å; K17-H51 PolarHBondContact N-O 3.43Å; K17-H51 PolarHBondContact O-N 3.17Å; K17-H51 VanDerWaalsContact O-O 3.11Å; Q19-H51 HydrophobicContact CG-CB 4.27Å; Q19-H51 PolarHBondContact OE1-ND1 3.23Å; H51-V62 CarbonylContact C-O 3.59Å; H51-V62 WeakPolarHBondContact CA-O 3.35Å; H51-N176 PolarHBondContact CE1-OD1 2.78Å; H51-N176 PolarHBondContact NE2-O 2.76Å; H51-N176 VanDerWaalsContact NE2-O 3.15Å; H51-N176 PolarHBondContact NE2-OD1 2.98Å; H51-D179 IonicContact CE1-OD2 3.61Å; H51-D179 IonicContact ND1-OD2 3.03Å
52G73.9Confident67.7Low5 Ų566.8 Ų66.85%0.05234%0.338CS..EExtended strand (participates in β ladder)trans-167.6-168.9-176.300000114.4E15 V62E15-G52 CarbonylContact O-C 3.08Å; E15-G52 WeakPolarHBondContact O-CA 3.2Å; G52-V62 PolarHBondContact N-O 2.96Å; G52-V62 PolarHBondContact O-N 2.98Å
53E73.6Confident68.7Low77 Ų7765.7 Ų65.736%0.3633%0.333SS..EExtended strand (participates in β ladder)trans-134.2161.2175.4-53.9-169.5-177.700109.5T14 E15 P58 S60T14-E53 WeakPolarHBondContact CA-O 3.25Å; E15-E53 PolarHBondContact N-O 2.86Å; E15-E53 PolarHBondContact O-N 3.36Å; E53-P58 WeakPolarHBondContact OE2-CA 3.37Å; E53-S60 WeakPolarHBondContact CG-O 3.36Å
54V77.5Confident70.3Confident7 Ų758.8 Ų58.84%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-80.2131.9167.8-179.50000108.2L12 T14 E56 H57 S60 V62 V74 L76L12-V54 HydrophobicContact CD1-CG1 3.56Å; L12-V54 HydrophobicContact CD1-CG2 4.28Å; L12-V54 HydrophobicContact CD2-CG2 4.14Å; L12-V54 HydrophobicContact CG-CG1 3.97Å; L12-V54 HydrophobicContact CG-CG2 4.24Å; T14-V54 HydrophobicContact CG2-CG2 4.33Å; V54-E56 PolarHBondContact O-N 3.46Å; V54-H57 HydrophobicContact CB-CB 4.23Å; V54-H57 HydrophobicContact CG1-CB 4.47Å; V54-H57 PolarHBondContact O-N 3.33Å; V54-S60 WeakPolarHBondContact CA-OG 3.3Å; V54-S60 VanDerWaalsContact CB-OG 3.27Å; V54-S60 WeakPolarHBondContact CB-OG 3.25Å; V54-S60 PolarHBondContact N-OG 2.91Å; V54-V62 HydrophobicContact CG2-CG2 4.04Å; V54-V74 HydrophobicContact CG2-CG1 3.54Å; V54-L76 HydrophobicContact CB-CD1 4.16Å; V54-L76 HydrophobicContact CG1-CD1 4.26Å; V54-L76 HydrophobicContact CG2-CD1 4.22Å
55R71.6Confident71.7Confident141 Ų14153.6 Ų53.653%0.53227%0.273SS..THydrogen-bonded Turntrans-50.5139.8177.5-76.3-169.5163.3163.42.8111.4G13 E15 H57G13-R55 PolarHBondContact O-N 2.94Å; E15-R55 HydrophobicContact CG-CG 3.85Å; E15-R55 WeakPolarHBondContact OE1-CG 3.39Å; E15-R55 IonicContact OE1-CZ 3.42Å; E15-R55 IonicContact OE1-NE 3.64Å; E15-R55 PolarHBondContact OE1-NE 2.96Å; E15-R55 IonicContact OE1-NH2 2.77Å; R55-H57 PolarHBondContact O-N 2.7Å; R55-H57 VanDerWaalsContact O-N 3.12Å; R55-H57 PolarHBondContact O-ND1 3.48Å
56E71.4Confident73.5Confident189 Ų18950.6 Ų50.688%0.88326%0.259SS*.THydrogen-bonded Turntrans65.62.5-179.5-51.3173.5169.300114.6V54 P58V54-E56 PolarHBondContact O-N 3.46Å; E56-P58 WeakPolarHBondContact O-CD 3.3Å
57H72.3Confident74.6Confident73 Ų7346.6 Ų46.634%0.33824%0.24SC..EExtended strand (participates in β ladder)trans-12676.1-176.5-62.475.4000111.4V54 R55 N59 S60 L76V54-H57 HydrophobicContact CB-CB 4.23Å; V54-H57 HydrophobicContact CG1-CB 4.47Å; V54-H57 PolarHBondContact O-N 3.33Å; R55-H57 PolarHBondContact O-N 2.7Å; R55-H57 VanDerWaalsContact O-N 3.12Å; R55-H57 PolarHBondContact O-ND1 3.48Å; H57-N59 PolarHBondContact O-N 3.28Å; H57-S60 VanDerWaalsContact O-CB 3.32Å; H57-S60 WeakPolarHBondContact O-CB 3.27Å; H57-S60 PolarHBondContact O-N 2.89Å; H57-S60 VanDerWaalsContact O-N 3.1Å; H57-S60 PolarHBondContact O-OG 3.45Å; H57-L76 HydrophobicContact CB-CD1 3.78Å
58P63.4Low75.2Confident95 Ų9551.5 Ų51.562%0.61727%0.265SS*.EExtended strand (participates in β ladder)trans-71.614.5-171.731.5-38.8000115.7E53 E56E53-P58 WeakPolarHBondContact OE2-CA 3.37Å; E56-P58 WeakPolarHBondContact O-CD 3.3Å
59N66.9Low75.2Confident156 Ų15652.2 Ų52.283%0.83428%0.276SS*.EExtended strand (participates in β ladder)trans-127.634.5172.5-63.5-72.4000109.8H57H57-N59 PolarHBondContact O-N 3.28Å
60S75.6Confident75.4Confident2 Ų252.5 Ų52.51%0.01428%0.278CS..EExtended strand (participates in β ladder)trans-121.6144.418065.10000109.9E53 V54 H57 A75E53-S60 WeakPolarHBondContact CG-O 3.36Å; V54-S60 WeakPolarHBondContact CA-OG 3.3Å; V54-S60 VanDerWaalsContact CB-OG 3.27Å; V54-S60 WeakPolarHBondContact CB-OG 3.25Å; V54-S60 PolarHBondContact N-OG 2.91Å; H57-S60 VanDerWaalsContact O-CB 3.32Å; H57-S60 WeakPolarHBondContact O-CB 3.27Å; H57-S60 PolarHBondContact O-N 2.89Å; H57-S60 VanDerWaalsContact O-N 3.1Å; H57-S60 PolarHBondContact O-OG 3.45Å; S60-A75 CarbonylContact C-O 3.47Å; S60-A75 VanDerWaalsContact CA-O 3.25Å; S60-A75 WeakPolarHBondContact CA-O 3.25Å; S60-A75 VanDerWaalsContact CB-O 3.22Å; S60-A75 WeakPolarHBondContact CB-O 3.42Å
61D76.4Confident75.8Confident56 Ų5653.8 Ų53.830%0.29928%0.283SS..EExtended strand (participates in β ladder)trans-119.3126.4-175.1-73.5-56000110.6F73 V74 A75 K180D61-F73 HydrophobicContact CB-CE2 4.24Å; D61-V74 CarbonylContact O-C 3.53Å; D61-V74 WeakPolarHBondContact O-CA 3.44Å; D61-A75 HydrophobicContact CB-CB 4.27Å; D61-A75 PolarHBondContact N-O 2.9Å; D61-A75 PolarHBondContact O-N 2.88Å; D61-K180 WeakPolarHBondContact OD1-CE 3.39Å; D61-K180 IonicContact OD1-NZ 3.83Å; D61-K180 PolarHBondContact OD1-NZ 3.05Å
62V81.8Confident76.2Confident0 Ų053.7 Ų53.70%028%0.283CS..EExtended strand (participates in β ladder)trans-116.1128.5174.1177.80000108.3T14 I16 H51 G52 V54 L64 V74T14-V62 HydrophobicContact CG2-CG1 4.42Å; T14-V62 HydrophobicContact CG2-CG2 3.78Å; I16-V62 HydrophobicContact CG2-CG1 3.69Å; H51-V62 CarbonylContact C-O 3.59Å; H51-V62 WeakPolarHBondContact CA-O 3.35Å; G52-V62 PolarHBondContact N-O 2.96Å; G52-V62 PolarHBondContact O-N 2.98Å; V54-V62 HydrophobicContact CG2-CG2 4.04Å; V62-L64 HydrophobicContact CG1-CD1 3.81Å; V62-L64 HydrophobicContact CG1-CD2 4.09Å; V62-L64 HydrophobicContact CG1-CG 3.65Å; V62-V74 HydrophobicContact CG1-CG2 4.24Å; V62-V74 HydrophobicContact CG2-CG1 3.87Å; V62-V74 HydrophobicContact CG2-CG2 4.16Å
63T82.3Confident76.6Confident0 Ų053.6 Ų53.60%028%0.281CS..EExtended strand (participates in β ladder)trans-135.5116.3170.6-54.50000109Y50 G72 F73 N176 Y177 K180Y50-T63 WeakPolarHBondContact O-CA 3.33Å; T63-G72 CarbonylContact O-C 3.6Å; T63-G72 WeakPolarHBondContact O-CA 3.21Å; T63-F73 PolarHBondContact N-O 3.37Å; T63-F73 PolarHBondContact O-N 2.98Å; T63-N176 VanDerWaalsContact CG2-ND2 3.28Å; T63-N176 WeakPolarHBondContact CG2-ND2 3.42Å; T63-Y177 HydrophobicContact CG2-CD1 3.38Å; T63-Y177 HydrophobicContact CG2-CE1 3.64Å; T63-Y177 HydrophobicContact CG2-CG 4.42Å; T63-K180 WeakPolarHBondContact OG1-CG 3.32Å
64L83.3Confident77.1Confident2 Ų250 Ų501%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-128.8145.7-173.6-51.6175.6000111.8V1 I16 Y50 V62 L70 R71 I83V1-L64 HydrophobicContact CG2-CD1 4.31Å; I16-L64 HydrophobicContact CG2-CD1 3.91Å; Y50-L64 PolarHBondContact N-O 3.45Å; Y50-L64 PolarHBondContact O-N 2.87Å; V62-L64 HydrophobicContact CG1-CD1 3.81Å; V62-L64 HydrophobicContact CG1-CD2 4.09Å; V62-L64 HydrophobicContact CG1-CG 3.65Å; L64-L70 HydrophobicContact CB-CD1 4.09Å; L64-L70 HydrophobicContact CD1-CD1 4.08Å; L64-L70 HydrophobicContact CG-CD1 4.49Å; L64-R71 CarbonylContact C-O 3.53Å; L64-R71 WeakPolarHBondContact CA-O 3.36Å; L64-I83 HydrophobicContact CD2-CD1 3.74Å
65S81.3Confident77Confident2 Ų250.5 Ų50.51%0.01427%0.269CS..EExtended strand (participates in β ladder)trans-110.5133.6160.9156.50000107.5C48 C67 L70 R71 E173C48-S65 CarbonylContact O-C 3.58Å; C48-S65 WeakPolarHBondContact O-CA 3.42Å; S65-C67 PolarHBondContact OG-SG 3.24Å; S65-C67 VanDerWaalsContact OG-SG 3.41Å; S65-L70 CarbonylContact O-C 3.31Å; S65-L70 WeakPolarHBondContact O-CA 3.45Å; S65-R71 PolarHBondContact N-O 3.34Å; S65-R71 PolarHBondContact O-N 2.77Å; S65-R71 VanDerWaalsContact O-O 3.11Å; S65-E173 WeakPolarHBondContact CB-OE1 3.33Å; S65-E173 PolarHBondContact OG-OE1 3.35Å
66A79.1Confident77.2Confident46 Ų4644.6 Ų44.638%0.3825%0.248SC..  trans-113.712.9174.300000112.2C48 Y50 G69 L70C48-A66 PolarHBondContact O-N 3.47Å; Y50-A66 HydrophobicContact CD2-CB 4.48Å; Y50-A66 HydrophobicContact CE2-CB 3.96Å; A66-G69 CarbonylContact C-O 3.54Å; A66-G69 WeakPolarHBondContact CA-O 3.26Å; A66-L70 HydrophobicContact CB-CD1 4.29Å
67C73.9Confident77.2Confident32 Ų3241.7 Ų41.722%0.21623%0.234CC..THydrogen-bonded Turntrans-65.6-47.1-167-51.10000112.7C48 Y49 S65 Q169C48-C67 HydrophobicContact CB-CB 3.83Å; C48-C67 WeakPolarHBondContact CB-SG 3.38Å; C48-C67 VanDerWaalsContact SG-CA 3.55Å; C48-C67 WeakPolarHBondContact SG-CB 3.37Å; C48-C67 CovalentContact SG-SG 2.03Å; C48-C67 PolarHBondContact SG-SG 2.88Å; Y49-C67 PolarHBondContact OH-SG 2.81Å; S65-C67 PolarHBondContact OG-SG 3.24Å; S65-C67 VanDerWaalsContact OG-SG 3.41Å; C67-Q169 HydrophobicContact CB-CG 4.44Å
68L73.8Confident76.8Confident116 Ų11642.6 Ų42.661%0.60724%0.242SC*.THydrogen-bonded Turntrans-13375.9173-68.6-174.4000109.4Q169L68-Q169 VanDerWaalsContact CD1-OE1 3.23Å
69G74.2Confident77.1Confident33 Ų3341.8 Ų41.834%0.3423%0.228SC..SBendtrans76.9170.3-168.300000112.1A66 R71A66-G69 CarbonylContact C-O 3.54Å; A66-G69 WeakPolarHBondContact CA-O 3.26Å; G69-R71 PolarHBondContact O-N 3.5Å
70L79.9Confident77.5Confident18 Ų1836 Ų369%0.09420%0.199CC..  trans-82.1121.3-176.8-164.769.7000111V1 L3 L64 S65 A66 I83 P85 H94V1-L70 HydrophobicContact CB-CD2 4.21Å; V1-L70 HydrophobicContact CG1-CD2 3.7Å; V1-L70 HydrophobicContact CG2-CD1 4.35Å; V1-L70 HydrophobicContact CG2-CD2 3.89Å; L3-L70 HydrophobicContact CD2-CD2 4.04Å; L64-L70 HydrophobicContact CB-CD1 4.09Å; L64-L70 HydrophobicContact CD1-CD1 4.08Å; L64-L70 HydrophobicContact CG-CD1 4.49Å; S65-L70 CarbonylContact O-C 3.31Å; S65-L70 WeakPolarHBondContact O-CA 3.45Å; A66-L70 HydrophobicContact CB-CD1 4.29Å; L70-I83 HydrophobicContact CB-CG2 4.33Å; L70-I83 HydrophobicContact CD2-CD1 4.35Å; L70-I83 HydrophobicContact CD2-CG2 4.09Å; L70-I83 HydrophobicContact CG-CG2 4.15Å; L70-P85 WeakPolarHBondContact O-CD 3.3Å; L70-H94 PolarHBondContact O-CD2 2.84Å
71R83.3Confident77.8Confident77 Ų7737.4 Ų37.429%0.29121%0.205SC..EExtended strand (participates in β ladder)trans-123.6152.4175.3-67.7166.5173.7-116-8.9108.3L64 S65 G69 I83 P85 E173L64-R71 CarbonylContact C-O 3.53Å; L64-R71 WeakPolarHBondContact CA-O 3.36Å; S65-R71 PolarHBondContact N-O 3.34Å; S65-R71 PolarHBondContact O-N 2.77Å; S65-R71 VanDerWaalsContact O-O 3.11Å; G69-R71 PolarHBondContact O-N 3.5Å; R71-I83 CarbonylContact C-O 3.52Å; R71-I83 VanDerWaalsContact CA-O 3.26Å; R71-I83 WeakPolarHBondContact CA-O 3.48Å; R71-P85 VanDerWaalsContact CG-CD 3.42Å; R71-P85 HydrophobicContact CG-CG 4.19Å; R71-E173 WeakPolarHBondContact CD-OE1 3.32Å; R71-E173 WeakPolarHBondContact CD-OE2 3.08Å; R71-E173 IonicContact NH1-OE2 2.67Å
72G83.9Confident78Confident1 Ų134.9 Ų34.91%0.0119%0.191CC..EExtended strand (participates in β ladder)trans154.8-173.8175.900000115.4T63 I82 I83 Y177T63-G72 CarbonylContact O-C 3.6Å; T63-G72 WeakPolarHBondContact O-CA 3.21Å; G72-I82 WeakPolarHBondContact O-CA 3.42Å; G72-I83 PolarHBondContact N-O 2.88Å; G72-I83 PolarHBondContact O-N 3.23Å; G72-Y177 VanDerWaalsContact CA-OH 3.23Å; G72-Y177 WeakPolarHBondContact CA-OH 3.36Å
73F83.3Confident78.1Confident2 Ų235 Ų351%0.00919%0.192CC..EExtended strand (participates in β ladder)trans-129155.1163.778.7-101.2000112.3D61 T63 A75 T80 F81 I82 Y177 F181 L272 T320D61-F73 HydrophobicContact CB-CE2 4.24Å; T63-F73 PolarHBondContact N-O 3.37Å; T63-F73 PolarHBondContact O-N 2.98Å; F73-A75 HydrophobicContact CD2-CB 4.3Å; F73-A75 HydrophobicContact CE2-CB 4.15Å; F73-T80 HydrophobicContact CB-CG2 4.1Å; F73-T80 HydrophobicContact CD2-CG2 3.85Å; F73-T80 HydrophobicContact CG-CG2 4.27Å; F73-F81 CarbonylContact C-O 3.44Å; F73-F81 WeakPolarHBondContact CA-O 3.38Å; F73-I82 HydrophobicContact CB-CD1 3.8Å; F73-Y177 AromaticContact CD1-CD1 3.69Å; F73-Y177 HydrophobicContact CD1-CD1 3.69Å; F73-Y177 AromaticContact CD1-CE1 3.47Å; F73-Y177 HydrophobicContact CD1-CE1 3.47Å; F73-Y177 VanDerWaalsContact CD1-CE1 3.47Å; F73-Y177 AromaticContact CE1-CD1 3.58Å; F73-Y177 HydrophobicContact CE1-CD1 3.58Å; F73-Y177 AromaticContact CE1-CE1 3.87Å; F73-Y177 HydrophobicContact CE1-CE1 3.87Å; F73-F181 HydrophobicContact CE1-CE1 4.13Å; F73-F181 HydrophobicContact CE1-CZ 4.41Å; F73-F181 HydrophobicContact CZ-CE1 4.14Å; F73-L272 HydrophobicContact CD1-CD1 4.01Å; F73-L272 HydrophobicContact CD1-CD2 4.4Å; F73-L272 HydrophobicContact CE1-CD1 4.11Å; F73-T320 HydrophobicContact CZ-CG2 4.33Å
74V83.4Confident78Confident3 Ų338.1 Ų38.12%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-128.5113.9167.4-176.30000109.2L12 V54 D61 V62 T80 F81 I83L12-V74 HydrophobicContact CD2-CB 4.41Å; L12-V74 HydrophobicContact CD2-CG1 3.79Å; L12-V74 HydrophobicContact CD2-CG2 4.48Å; V54-V74 HydrophobicContact CG2-CG1 3.54Å; D61-V74 CarbonylContact O-C 3.53Å; D61-V74 WeakPolarHBondContact O-CA 3.44Å; V62-V74 HydrophobicContact CG1-CG2 4.24Å; V62-V74 HydrophobicContact CG2-CG1 3.87Å; V62-V74 HydrophobicContact CG2-CG2 4.16Å; V74-T80 CarbonylContact O-C 3.54Å; V74-T80 WeakPolarHBondContact O-CA 3.4Å; V74-F81 PolarHBondContact N-O 2.83Å; V74-F81 PolarHBondContact O-N 3.39Å; V74-I83 HydrophobicContact CG2-CD1 4.12Å
75A75.8Confident77.8Confident16 Ų1639.3 Ų39.313%0.13221%0.214CC..EExtended strand (participates in β ladder)trans-94.2121.117200000109.5S60 D61 F73 T80S60-A75 CarbonylContact C-O 3.47Å; S60-A75 VanDerWaalsContact CA-O 3.25Å; S60-A75 WeakPolarHBondContact CA-O 3.25Å; S60-A75 VanDerWaalsContact CB-O 3.22Å; S60-A75 WeakPolarHBondContact CB-O 3.42Å; D61-A75 HydrophobicContact CB-CB 4.27Å; D61-A75 PolarHBondContact N-O 2.9Å; D61-A75 PolarHBondContact O-N 2.88Å; F73-A75 HydrophobicContact CD2-CB 4.3Å; F73-A75 HydrophobicContact CE2-CB 4.15Å; A75-T80 HydrophobicContact CB-CG2 4.21Å
76L75.1Confident77.7Confident18 Ų1841.3 Ų41.39%0.09423%0.226CC..EExtended strand (participates in β ladder)trans-134.7117.1-179.4-178.466.3000109.3L12 V54 H57 N78 K79L12-L76 HydrophobicContact CD1-CD2 4.04Å; V54-L76 HydrophobicContact CB-CD1 4.16Å; V54-L76 HydrophobicContact CG1-CD1 4.26Å; V54-L76 HydrophobicContact CG2-CD1 4.22Å; H57-L76 HydrophobicContact CB-CD1 3.78Å; L76-N78 PolarHBondContact O-N 3.09Å; L76-K79 PolarHBondContact N-O 2.93Å; L76-K79 PolarHBondContact O-N 3.48Å; L76-K79 VanDerWaalsContact O-O 3.14Å
77E71.7Confident76.9Confident128 Ų12844.9 Ų44.960%0.59825%0.248SC*.THydrogen-bonded Turntrans56.6-90.8-177.5-53.1173.6143.300113.8R305E77-R305 PolarHBondContact O-NH1 2.67Å
78N65.3Low76.1Confident92 Ų9245.8 Ų45.849%0.49226%0.263SS..THydrogen-bonded Turntrans-125.79.5-175.5-53.5-0.6000111.2L76 R305L76-N78 PolarHBondContact O-N 3.09Å; N78-R305 VanDerWaalsContact CG-CZ 3.4Å; N78-R305 PolarHBondContact ND2-NH2 2.77Å; N78-R305 PolarHBondContact OD1-NH1 2.88Å; N78-R305 PolarHBondContact OD1-NH2 2.78Å
79K69.4Low74.8Confident78 Ų7850.2 Ų50.234%0.33928%0.28SS..EExtended strand (participates in β ladder)trans-129131.6-173.2-62.2165.6-166.61370109L76 F81L76-K79 PolarHBondContact N-O 2.93Å; L76-K79 PolarHBondContact O-N 3.48Å; L76-K79 VanDerWaalsContact O-O 3.14Å; K79-F81 HydrophobicContact CB-CE2 3.83Å; K79-F81 HydrophobicContact CB-CZ 4Å; K79-F81 HydrophobicContact CD-CZ 4.13Å
80T75.6Confident73.7Confident35 Ų3554.6 Ų54.622%0.21530%0.296CS..EExtended strand (participates in β ladder)trans-112.2130.9169.8-48.20000108.4F73 V74 A75 V99F73-T80 HydrophobicContact CB-CG2 4.1Å; F73-T80 HydrophobicContact CD2-CG2 3.85Å; F73-T80 HydrophobicContact CG-CG2 4.27Å; V74-T80 CarbonylContact O-C 3.54Å; V74-T80 WeakPolarHBondContact O-CA 3.4Å; A75-T80 HydrophobicContact CB-CG2 4.21Å; T80-V99 HydrophobicContact CG2-CG2 3.56Å; T80-V99 WeakPolarHBondContact O-CB 3.38Å; T80-V99 VanDerWaalsContact O-CG2 3.32Å; T80-V99 WeakPolarHBondContact O-CG2 3.42Å; T80-V99 PolarHBondContact O-N 3.11Å
81F80.7Confident72.5Confident31 Ų3159.1 Ų59.114%0.13634%0.336CS..EExtended strand (participates in β ladder)trans-109.3134177.6-58.6-86.3000108.7M10 F73 V74 K79 I96 Y97 R98M10-F81 HydrophobicContact CE-CZ 4.4Å; F73-F81 CarbonylContact C-O 3.44Å; F73-F81 WeakPolarHBondContact CA-O 3.38Å; V74-F81 PolarHBondContact N-O 2.83Å; V74-F81 PolarHBondContact O-N 3.39Å; K79-F81 HydrophobicContact CB-CE2 3.83Å; K79-F81 HydrophobicContact CB-CZ 4Å; K79-F81 HydrophobicContact CD-CZ 4.13Å; F81-I96 HydrophobicContact CB-CG2 4.32Å; F81-Y97 WeakPolarHBondContact CA-O 3.44Å; F81-R98 HydrophobicContact CD1-CG 4.1Å; F81-R98 HydrophobicContact CE1-CG 3.94Å
82I80.6Confident71.5Confident2 Ų257.8 Ų57.81%0.0135%0.346CS..EExtended strand (participates in β ladder)trans-92147.9167.1-59.1-55.3000108.8G72 F73 I96 Y97 V99 L102 N270 L272G72-I82 WeakPolarHBondContact O-CA 3.42Å; F73-I82 HydrophobicContact CB-CD1 3.8Å; I82-I96 WeakPolarHBondContact O-CA 3.25Å; I82-Y97 HydrophobicContact CB-CD2 4.06Å; I82-Y97 HydrophobicContact CB-CE1 4.31Å; I82-Y97 HydrophobicContact CB-CE2 3.5Å; I82-Y97 VanDerWaalsContact CB-CE2 3.5Å; I82-Y97 HydrophobicContact CG1-CD2 4.34Å; I82-Y97 HydrophobicContact CG1-CE2 3.68Å; I82-Y97 HydrophobicContact CG2-CE1 4.2Å; I82-Y97 HydrophobicContact CG2-CE2 3.94Å; I82-Y97 WeakPolarHBondContact CG2-OH 2.97Å; I82-Y97 PolarHBondContact N-O 2.67Å; I82-V99 HydrophobicContact CD1-CG2 3.5Å; I82-V99 HydrophobicContact CG1-CG2 3.54Å; I82-L102 HydrophobicContact CG1-CD1 4.2Å; I82-N270 WeakPolarHBondContact CG2-ND2 3.33Å; I82-L272 HydrophobicContact CD1-CD2 3.88Å
83I85.1Confident70.8Confident4 Ų459.6 Ų59.62%0.02136%0.361CS..EExtended strand (participates in β ladder)trans-120.8130.9167.3-52.9162.8000107.1L3 L64 L70 R71 G72 V74 H94 F95 I96L3-I83 HydrophobicContact CD1-CD1 3.53Å; L3-I83 HydrophobicContact CD1-CG1 4.19Å; L64-I83 HydrophobicContact CD2-CD1 3.74Å; L70-I83 HydrophobicContact CB-CG2 4.33Å; L70-I83 HydrophobicContact CD2-CD1 4.35Å; L70-I83 HydrophobicContact CD2-CG2 4.09Å; L70-I83 HydrophobicContact CG-CG2 4.15Å; R71-I83 CarbonylContact C-O 3.52Å; R71-I83 VanDerWaalsContact CA-O 3.26Å; R71-I83 WeakPolarHBondContact CA-O 3.48Å; G72-I83 PolarHBondContact N-O 2.88Å; G72-I83 PolarHBondContact O-N 3.23Å; V74-I83 HydrophobicContact CG2-CD1 4.12Å; I83-H94 HydrophobicContact CG2-CB 4.11Å; I83-F95 WeakPolarHBondContact CA-O 3.26Å; I83-I96 HydrophobicContact CG1-CG1 4.49Å
84E80.2Confident70.5Confident65 Ų6563.2 Ų63.230%0.30438%0.378SS..EExtended strand (participates in β ladder)trans-145.2150.6171.867.6-175-155.100110.8H94 F95 Y97E84-H94 CarbonylContact O-C 3.54Å; E84-H94 WeakPolarHBondContact O-CA 2.98Å; E84-F95 HydrophobicContact CG-CB 3.98Å; E84-F95 HydrophobicContact CG-CD2 4.29Å; E84-F95 PolarHBondContact N-O 3.38Å; E84-F95 PolarHBondContact O-N 2.85Å; E84-Y97 VanDerWaalsContact CD-CE1 3.41Å; E84-Y97 HydrophobicContact CG-CE1 3.86Å; E84-Y97 PolarHBondContact OE2-OH 2.84Å
85P79.5Confident70.3Confident27 Ų2768.2 Ų68.218%0.17540%0.399CS..EExtended strand (participates in β ladder)trans-73.3142.6177.130.2-35000111.2L70 R71L70-P85 WeakPolarHBondContact O-CD 3.3Å; R71-P85 VanDerWaalsContact CG-CD 3.42Å; R71-P85 HydrophobicContact CG-CG 4.19Å
86V77.3Confident70.5Confident44 Ų4469.9 Ų69.927%0.26741%0.406SS..  trans-67133.7173-179.80000109.4G88 A93 F95V86-G88 PolarHBondContact O-N 3.36Å; V86-A93 HydrophobicContact CB-CB 4.08Å; V86-A93 HydrophobicContact CG2-CB 3.68Å; V86-A93 PolarHBondContact N-O 2.78Å; V86-F95 HydrophobicContact CB-CE2 4.21Å; V86-F95 HydrophobicContact CB-CZ 4.47Å; V86-F95 HydrophobicContact CG1-CE2 4.1Å; V86-F95 HydrophobicContact CG1-CZ 4.07Å; V86-F95 HydrophobicContact CG2-CD1 4.24Å; V86-F95 HydrophobicContact CG2-CD2 3.94Å; V86-F95 HydrophobicContact CG2-CE1 4.07Å; V86-F95 HydrophobicContact CG2-CE2 3.77Å; V86-F95 HydrophobicContact CG2-CG 4.16Å; V86-F95 HydrophobicContact CG2-CZ 3.84Å
87S63.5Low70.5Confident120 Ų12070.4 Ų70.484%0.83941%0.407SS*.SBendtrans-84108.1177.6-67.30000111.2
88G56.5Low70.4Confident52 Ų5268.6 Ų68.654%0.53639%0.394SS..SBendtrans112.1136.3172.500000114.7V86 D90V86-G88 PolarHBondContact O-N 3.36Å; G88-D90 VanDerWaalsContact C-N 3.27Å; G88-D90 PolarHBondContact O-N 3.47Å
89H46.4Very low70.4Confident208 Ų20864.4 Ų64.496%0.96337%0.372SS*.SBendtrans44.4-34.1169.6-69.3-70.8000122.2A91H89-A91 PolarHBondContact O-N 3.46Å
90D52.3Low70.1Confident126 Ų12664.8 Ų64.867%0.67438%0.375SS*.  trans-92.287177.7-94-26.6000111.7G88 G92 A93G88-D90 VanDerWaalsContact C-N 3.27Å; G88-D90 PolarHBondContact O-N 3.47Å; D90-G92 PolarHBondContact O-N 3.42Å; D90-A93 HydrophobicContact CB-CB 4.19Å; D90-A93 PolarHBondContact O-N 3.4Å
91A53.1Low69.5Low112 Ų11268.9 Ų68.993%0.92639%0.392SS*.THydrogen-bonded Turntrans-62.4102.1176.500000111.7H89H89-A91 PolarHBondContact O-N 3.46Å
92G62.4Low68.7Low49 Ų4969 Ų6951%0.50539%0.393SS..THydrogen-bonded Turntrans119.4-3.4175.400000115.5D90 H94D90-G92 PolarHBondContact O-N 3.42Å; G92-H94 PolarHBondContact O-CE1 2.69Å; G92-H94 PolarHBondContact O-ND1 2.86Å; G92-H94 PolarHBondContact O-NE2 3.24Å
93A70Confident67.6Low39 Ų3978.8 Ų78.832%0.32244%0.436SS..  trans-77.5139.3171.100000111.4V86 D90V86-A93 HydrophobicContact CB-CB 4.08Å; V86-A93 HydrophobicContact CG2-CB 3.68Å; V86-A93 PolarHBondContact N-O 2.78Å; D90-A93 HydrophobicContact CB-CB 4.19Å; D90-A93 PolarHBondContact O-N 3.4Å
94H77.4Confident66.5Low79 Ų7979.8 Ų79.837%0.36644%0.442SS..EExtended strand (participates in β ladder)trans-131.3135177.8-58.986.1000110L70 I83 E84 G92L70-H94 PolarHBondContact O-CD2 2.84Å; I83-H94 HydrophobicContact CG2-CB 4.11Å; E84-H94 CarbonylContact O-C 3.54Å; E84-H94 WeakPolarHBondContact O-CA 2.98Å; G92-H94 PolarHBondContact O-CE1 2.69Å; G92-H94 PolarHBondContact O-ND1 2.86Å; G92-H94 PolarHBondContact O-NE2 3.24Å
95F79.3Confident65.4Low107 Ų10782.2 Ų82.247%0.46946%0.461SS..EExtended strand (participates in β ladder)trans-74.8137.2165.9-67-57.7000109.4I83 E84 V86 Y97I83-F95 WeakPolarHBondContact CA-O 3.26Å; E84-F95 HydrophobicContact CG-CB 3.98Å; E84-F95 HydrophobicContact CG-CD2 4.29Å; E84-F95 PolarHBondContact N-O 3.38Å; E84-F95 PolarHBondContact O-N 2.85Å; V86-F95 HydrophobicContact CB-CE2 4.21Å; V86-F95 HydrophobicContact CB-CZ 4.47Å; V86-F95 HydrophobicContact CG1-CE2 4.1Å; V86-F95 HydrophobicContact CG1-CZ 4.07Å; V86-F95 HydrophobicContact CG2-CD1 4.24Å; V86-F95 HydrophobicContact CG2-CD2 3.94Å; V86-F95 HydrophobicContact CG2-CE1 4.07Å; V86-F95 HydrophobicContact CG2-CE2 3.77Å; V86-F95 HydrophobicContact CG2-CG 4.16Å; V86-F95 HydrophobicContact CG2-CZ 3.84Å; F95-Y97 HydrophobicContact CB-CD1 4.06Å; F95-Y97 HydrophobicContact CB-CE1 4.29Å
96I78.6Confident64.6Low52 Ų5285.2 Ų85.227%0.26748%0.481SS..EExtended strand (participates in β ladder)trans-13095.4170.4-50.1170000106.8L3 F81 I82 I83L3-I96 HydrophobicContact CB-CD1 3.66Å; L3-I96 HydrophobicContact CD1-CD1 4.01Å; L3-I96 HydrophobicContact CD2-CD1 4Å; L3-I96 HydrophobicContact CG-CD1 4.08Å; F81-I96 HydrophobicContact CB-CG2 4.32Å; I82-I96 WeakPolarHBondContact O-CA 3.25Å; I83-I96 HydrophobicContact CG1-CG1 4.49Å
97Y74.9Confident63.5Low29 Ų2983.4 Ų83.411%0.11447%0.471CS..EExtended strand (participates in β ladder)trans-107156.3173.450.8-89.2000109F81 I82 E84 F95 E101 L102F81-Y97 WeakPolarHBondContact CA-O 3.44Å; I82-Y97 HydrophobicContact CB-CD2 4.06Å; I82-Y97 HydrophobicContact CB-CE1 4.31Å; I82-Y97 HydrophobicContact CB-CE2 3.5Å; I82-Y97 VanDerWaalsContact CB-CE2 3.5Å; I82-Y97 HydrophobicContact CG1-CD2 4.34Å; I82-Y97 HydrophobicContact CG1-CE2 3.68Å; I82-Y97 HydrophobicContact CG2-CE1 4.2Å; I82-Y97 HydrophobicContact CG2-CE2 3.94Å; I82-Y97 WeakPolarHBondContact CG2-OH 2.97Å; I82-Y97 PolarHBondContact N-O 2.67Å; E84-Y97 VanDerWaalsContact CD-CE1 3.41Å; E84-Y97 HydrophobicContact CG-CE1 3.86Å; E84-Y97 PolarHBondContact OE2-OH 2.84Å; F95-Y97 HydrophobicContact CB-CD1 4.06Å; F95-Y97 HydrophobicContact CB-CE1 4.29Å; Y97-E101 WeakPolarHBondContact CB-OE2 3.35Å; Y97-L102 HydrophobicContact CD2-CG 4.34Å; Y97-L102 HydrophobicContact CE2-CD1 3.92Å; Y97-L102 HydrophobicContact CE2-CD2 3.8Å; Y97-L102 HydrophobicContact CE2-CG 3.62Å
98R71.1Confident63.8Low89 Ų8978 Ų7834%0.33643%0.434SS..EExtended strand (participates in β ladder)trans-68.2144164.8-63.9-175.9172-147.510.1107.8F81 E100 E101F81-R98 HydrophobicContact CD1-CG 4.1Å; F81-R98 HydrophobicContact CE1-CG 3.94Å; R98-E100 WeakPolarHBondContact CD-OE1 3.43Å; R98-E100 WeakPolarHBondContact CD-OE2 3.28Å; R98-E100 IonicContact NH1-OE1 3.67Å; R98-E100 PolarHBondContact NH1-OE1 2.96Å; R98-E100 IonicContact NH1-OE2 2.62Å; R98-E100 PolarHBondContact O-N 2.79Å; R98-E101 WeakPolarHBondContact CB-OE1 3.3Å; R98-E101 PolarHBondContact N-OE1 2.88Å; R98-E101 PolarHBondContact O-N 3.28Å
99V64.6Low63.7Low5 Ų575.9 Ų75.93%0.0341%0.411CS..G310 helixtrans-43-38.8165.5176.80000108.1T80 I82 E101 L102 Y316 P317T80-V99 HydrophobicContact CG2-CG2 3.56Å; T80-V99 WeakPolarHBondContact O-CB 3.38Å; T80-V99 VanDerWaalsContact O-CG2 3.32Å; T80-V99 WeakPolarHBondContact O-CG2 3.42Å; T80-V99 PolarHBondContact O-N 3.11Å; I82-V99 HydrophobicContact CD1-CG2 3.5Å; I82-V99 HydrophobicContact CG1-CG2 3.54Å; V99-E101 PolarHBondContact O-N 2.9Å; V99-L102 PolarHBondContact O-N 3.19Å; V99-Y316 VanDerWaalsContact C-CE2 3.47Å; V99-Y316 HydrophobicContact CB-CE2 4.35Å; V99-Y316 HydrophobicContact CG1-CE2 3.44Å; V99-Y316 VanDerWaalsContact CG1-CE2 3.44Å; V99-Y316 WeakPolarHBondContact CG1-OH 3.23Å; V99-Y316 WeakPolarHBondContact O-CE2 3.27Å; V99-Y316 PolarHBondContact O-OH 2.81Å; V99-Y316 VanDerWaalsContact O-OH 3.04Å; V99-P317 HydrophobicContact CG1-CB 4.12Å
100E62.8Low64Low86 Ų8666.4 Ų66.440%0.40237%0.369SS..G310 helixtrans-10.3-49.5157.748.967.8-16700117.4R98 Y316R98-E100 WeakPolarHBondContact CD-OE1 3.43Å; R98-E100 WeakPolarHBondContact CD-OE2 3.28Å; R98-E100 IonicContact NH1-OE1 3.67Å; R98-E100 PolarHBondContact NH1-OE1 2.96Å; R98-E100 IonicContact NH1-OE2 2.62Å; R98-E100 PolarHBondContact O-N 2.79Å; E100-Y316 VanDerWaalsContact CA-OH 3.31Å; E100-Y316 WeakPolarHBondContact CA-OH 3.21Å; E100-Y316 HydrophobicContact CB-CE1 4.02Å; E100-Y316 WeakPolarHBondContact CB-OH 3.44Å; E100-Y316 PolarHBondContact N-OH 3.31Å
101E64Low63.3Low121 Ų12163.7 Ų63.757%0.56535%0.353SS*.G310 helixtrans-101.5-4.7-160.1-61.3161.3-12800113.3Y97 R98 V99Y97-E101 WeakPolarHBondContact CB-OE2 3.35Å; R98-E101 WeakPolarHBondContact CB-OE1 3.3Å; R98-E101 PolarHBondContact N-OE1 2.88Å; R98-E101 PolarHBondContact O-N 3.28Å; V99-E101 PolarHBondContact O-N 2.9Å
102L63Low62.6Low33 Ų3359.8 Ų59.817%0.17332%0.323CS..  trans-75.6132.8178.5-77.8165000112.8I82 Y97 V99 V104 Y316I82-L102 HydrophobicContact CG1-CD1 4.2Å; Y97-L102 HydrophobicContact CD2-CG 4.34Å; Y97-L102 HydrophobicContact CE2-CD1 3.92Å; Y97-L102 HydrophobicContact CE2-CD2 3.8Å; Y97-L102 HydrophobicContact CE2-CG 3.62Å; V99-L102 PolarHBondContact O-N 3.19Å; L102-V104 HydrophobicContact CB-CG2 4.38Å; L102-Y316 HydrophobicContact CB-CD2 3.92Å; L102-Y316 HydrophobicContact CB-CE2 3.97Å
103K57.9Low61.1Low208 Ų20865.1 Ų65.190%0.90433%0.333SS*.  trans-98.7106.8169.4-65.5-178.8-176.5175.80109.6
104V61Low59Low24 Ų2471.2 Ų71.215%0.14536%0.36CS..  trans-126.3140.8176-173.80000109.2L102 P106 F318L102-V104 HydrophobicContact CB-CG2 4.38Å; V104-P106 WeakPolarHBondContact O-CD 3.48Å; V104-F318 HydrophobicContact CB-CZ 4.25Å; V104-F318 HydrophobicContact CG1-CE1 4.22Å; V104-F318 HydrophobicContact CG1-CZ 3.91Å; V104-F318 HydrophobicContact CG2-CE2 4.3Å; V104-F318 HydrophobicContact CG2-CZ 3.83Å
105T58Low56.8Low116 Ų11674.5 Ų74.571%0.71238%0.379SS*.  trans-68.9121.6173.6-52.20000109.3G107T105-G107 PolarHBondContact O-N 3.06Å
106P61.9Low54.2Low91 Ų9174.4 Ų74.459%0.59139%0.392SS*.  trans-60.3136.6175.2-22.834.2000111.1V104V104-P106 WeakPolarHBondContact O-CD 3.48Å
107G55.9Low51.7Low5 Ų577.7 Ų77.75%0.05242%0.419CS..EExtended strand (participates in β ladder)trans-127164-177.600000112.8T105 T244 S313 T314T105-G107 PolarHBondContact O-N 3.06Å; G107-T244 CarbonylContact C-O 3.09Å; G107-T244 WeakPolarHBondContact CA-O 3.42Å; G107-S313 CarbonylContact O-C 3.59Å; G107-S313 WeakPolarHBondContact O-CA 3.05Å; G107-T314 PolarHBondContact N-O 3.11Å; G107-T314 PolarHBondContact O-N 3.46Å
108A68.8Low49.3Very low7 Ų783 Ų836%0.05846%0.455CS..EExtended strand (participates in β ladder)trans-122.9153171.200000110.2T244 T245 I246 P312A108-T244 PolarHBondContact N-O 3.34Å; A108-T245 CarbonylContact O-C 3.54Å; A108-T245 VanDerWaalsContact O-CA 3.23Å; A108-T245 WeakPolarHBondContact O-CA 3.49Å; A108-I246 PolarHBondContact O-N 2.03Å; A108-P312 VanDerWaalsContact CA-O 3.27Å; A108-P312 WeakPolarHBondContact CA-O 3.44Å; A108-P312 WeakPolarHBondContact CB-O 3.45Å
109C54.3Low47.1Very low8 Ų883 Ų835%0.05447%0.474CS..EExtended strand (participates in β ladder)trans-84129.7166.750.10000109.2H280 E281 H290 P312C109-H280 PolarHBondContact SG-CE1 3.4Å; C109-H280 PolarHBondContact SG-NE2 3.37Å; C109-E281 WeakPolarHBondContact CB-OE1 3.49Å; C109-H290 PolarHBondContact O-CE1 3.49Å; C109-H290 PolarHBondContact SG-CE1 2.67Å; C109-H290 PolarHBondContact SG-NE2 2.89Å; C109-P312 PolarHBondContact N-O 3.39Å; C109-P312 VanDerWaalsContact N-O 3.12Å; C109-P312 PolarHBondContact SG-O 3.46Å
110G52.8Low45.7Very low9 Ų988.7 Ų88.79%0.09351%0.511CS..SBendtrans61.5-176.2-164.600000114.8T245 G247G110-T245 PolarHBondContact O-OG1 2.85Å; G110-G247 PolarHBondContact N-O 3.5Å; G110-G247 VanDerWaalsContact N-O 3.11Å
111H37.9Very low43.8Very low69 Ų6993.4 Ų93.432%0.31953%0.533SS..  trans-66.4162.9176.4-156.782.7000110.8F210 T526 N527H111-F210 HydrophobicContact CB-CZ 4.36Å; H111-T526 PolarHBondContact O-OG1 3.34Å; H111-N527 VanDerWaalsContact C-ND2 3.3Å; H111-N527 WeakPolarHBondContact CA-ND2 3.39Å; H111-N527 WeakPolarHBondContact CB-OD1 3.39Å; H111-N527 PolarHBondContact N-ND2 3.04Å; H111-N527 VanDerWaalsContact O-CG 3.25Å; H111-N527 PolarHBondContact O-ND2 3.48Å; H111-N527 PolarHBondContact O-OD1 2.99Å
112G37.1Very low41.9Very low30 Ų3093.1 Ų93.131%0.30954%0.544SS..  trans-156.9121.1179.300000112.3
113F31.1Very low40.4Very low160 Ų160100.5 Ų100.570%0.70258%0.577SS**  trans-82.9134.4168.6-77.3-82.6000110.4L115F113-L115 PolarHBondContact O-N 3.03Å; F113-L115 VanDerWaalsContact O-N 3.13Å
114N26.4Very low38.7Very low167 Ų16798.6 Ų98.689%0.89358%0.575SS**  trans-52.4115.5177.3-90-49.8000111.7
115L31.4Very low37Very low149 Ų149107 Ų10778%0.7861%0.61SS**  trans-94.595.5171.8-166.172.4000109.8F113 S117F113-L115 PolarHBondContact O-N 3.03Å; F113-L115 VanDerWaalsContact O-N 3.13Å; L115-S117 PolarHBondContact O-N 3.17Å
116S24.6Very low35.4Very low105 Ų105105.4 Ų105.473%0.73460%0.603SS**  trans-63.6123.9169.5-61.90000110
117S26.5Very low33.6Very low120 Ų120107 Ų10784%0.83961%0.613SS**  trans-65.3135.2-177.348.20000113L115L115-S117 PolarHBondContact O-N 3.17Å
118V24Very low32.2Very low142 Ų142115.8 Ų115.886%0.86165%0.65SS**  trans-122.8135.2163.8-179.10000108.1
119A24.9Very low30Very low89 Ų89124.4 Ų124.474%0.73669%0.69SS**  trans-74.1161.3-172.600000113.1
120P35.8Very low28.7Very low123 Ų123127.8 Ų127.880%0.79971%0.713SS**  trans-97.3152.9-164.737.2-34.1000113.9
121E23Very low27.4Very low186 Ų186137 Ų13787%0.86975%0.751SS**  trans-139.5140.6160.1-84.1-155.6144.800115
122S24.6Very low26.8Very low115 Ų115142 Ų14280%0.80478%0.775SS**  trans78.3131.1156.377.70000120.1
123H29.8Very low26.4Very low188 Ų188146.1 Ų146.187%0.8779%0.794SS**  trans-85.4138.9-177.2-61.2-98.5000112.4
124I23.5Very low26.3Very low167 Ų167150.4 Ų150.486%0.85681%0.805SS**  trans-131.3121.7152.5-58.3-178000108.8
125K25.3Very low26.7Very low202 Ų202149.2 Ų149.288%0.87879%0.794SS**  trans-78.4123.6173.6-69.6177.2177.4176.20109.3
126S23.9Very low27.3Very low82 Ų82146.4 Ų146.457%0.57378%0.775SS**  trans-92.6129.8169.6-177.30000111.2F128S126-F128 VanDerWaalsContact OG-CE2 3.27Å; S126-F128 WeakPolarHBondContact OG-CE2 3.07Å
127P24.8Very low28Very low123 Ų123151 Ų15180%0.79978%0.776SS**  trans-89.4108.2171.733.5-28.9000110.9
128F26.7Very low28.8Very low190 Ų190148.6 Ų148.683%0.83375%0.752SS**  trans-99.8107.9171.8-78.3-80.8000111.4S126S126-F128 VanDerWaalsContact OG-CE2 3.27Å; S126-F128 WeakPolarHBondContact OG-CE2 3.07Å
129Q22.6Very low30Very low188 Ų188142.8 Ų142.888%0.87972%0.719SS**  trans-84.5106.5155.2-79179.6-28.700108.2
130S27.1Very low31.3Very low79 Ų79143.5 Ų143.555%0.55271%0.707SS**  trans-75.6120.3175.6540000111.1H132S130-H132 PolarHBondContact O-N 3.46Å
131F25.1Very low32.5Very low203 Ų203144.8 Ų144.889%0.8970%0.7SS**  trans-65.3119162.9-76.2-88.1000109.5T133F131-T133 PolarHBondContact O-N 2.91Å
132H24.9Very low34.8Very low175 Ų175136.6 Ų136.681%0.8166%0.663SS**  trans-81.794-177.1-72.4-75.8000112.1S130S130-H132 PolarHBondContact O-N 3.46Å
133T28.7Very low37.4Very low115 Ų115133.5 Ų133.571%0.70664%0.639SS**  trans-80.5138.7154.841.60000109.8F131 H135F131-T133 PolarHBondContact O-N 2.91Å; T133-H135 PolarHBondContact O-N 3.4Å
134R28.9Very low40.1Very low250 Ų250124.7 Ų124.794%0.94360%0.598SS**  trans-67.4100.8176.5-82.8-178.2171.8-179.3-1.9109.7K136R134-K136 PolarHBondContact O-N 2.94Å
135H34.9Very low43.1Very low142 Ų142118.5 Ų118.566%0.65756%0.564SS**  trans-51.8131.2169.1-68.1-78.2000111.3T133 R137T133-H135 PolarHBondContact O-N 3.4Å; H135-R137 WeakPolarHBondContact O-CG 3.02Å; H135-R137 PolarHBondContact O-N 3.11Å
136K43.2Very low46.3Very low90 Ų90108.9 Ų108.939%0.39152%0.522SS..  trans-71.296.2175-77-175177.6-179.20110.2R134 H138 S415 S416R134-K136 PolarHBondContact O-N 2.94Å; K136-H138 PolarHBondContact O-N 3.13Å; K136-H138 VanDerWaalsContact O-N 3.12Å; K136-S415 PolarHBondContact NZ-O 2.73Å; K136-S416 WeakPolarHBondContact CD-O 3.4Å; K136-S416 PolarHBondContact NZ-O 2.95Å
137R39.4Very low49.5Very low201 Ų201106 Ų10676%0.75850%0.5SS*.THydrogen-bonded Turntrans-71.4-3.5-170.5-61.1-178.1-175.9170.5-0.7115.4H135 K141H135-R137 WeakPolarHBondContact O-CG 3.02Å; H135-R137 PolarHBondContact O-N 3.11Å; R137-K141 WeakPolarHBondContact O-CG 3.36Å
138H44.4Very low52.8Low71 Ų71100.1 Ų100.133%0.32946%0.462SS..THydrogen-bonded Turntrans-88.7-37.4-167.4-149.1-41.8000114.7K136 Q140 K141K136-H138 PolarHBondContact O-N 3.13Å; K136-H138 VanDerWaalsContact O-N 3.12Å; H138-Q140 PolarHBondContact O-N 3.2Å; H138-Q140 VanDerWaalsContact O-N 3.15Å; H138-K141 PolarHBondContact O-N 3.32Å; H138-K141 VanDerWaalsContact O-N 3.09Å
139A47.9Very low56.1Low20 Ų2091.2 Ų91.217%0.16542%0.423CS..THydrogen-bonded Turntrans-61.4-26.8-175.600000113.7K144A139-K144 PolarHBondContact O-NZ 2.85Å
140Q52.3Low59.7Low103 Ų10382.3 Ų82.348%0.48138%0.381SS..THydrogen-bonded Turntrans-87.5-18.9179-65.9164.222.100113.7H138 N186 A331H138-Q140 PolarHBondContact O-N 3.2Å; H138-Q140 VanDerWaalsContact O-N 3.15Å; Q140-N186 PolarHBondContact O-ND2 3.28Å; Q140-A331 HydrophobicContact CG-CB 4.48Å; Q140-A331 VanDerWaalsContact NE2-CB 3.25Å
141K61.8Low63.1Low151 Ų15178.5 Ų78.566%0.65736%0.355SS*.THydrogen-bonded Turntrans-79.4-30.5-177.8-77-175.6174.8-167.50113.3R137 H138 N186R137-K141 WeakPolarHBondContact O-CG 3.36Å; H138-K141 PolarHBondContact O-N 3.32Å; H138-K141 VanDerWaalsContact O-N 3.09Å; K141-N186 PolarHBondContact O-ND2 3.18Å
142T71.9Confident66.6Low13 Ų1368.9 Ų68.98%0.0831%0.312CS..SBendtrans-82.5130.7-178.159.10000109.8K144 Q398T142-K144 PolarHBondContact O-N 3Å; T142-K144 PolarHBondContact O-NZ 2.79Å; T142-K144 PolarHBondContact OG1-NZ 2.97Å; T142-Q398 HydrophobicContact CG2-CG 4.49Å; T142-Q398 VanDerWaalsContact CG2-NE2 3.29Å
143T79.4Confident70.1Confident50 Ų5060.5 Ų60.531%0.30727%0.274SS..PPolyproline II helixtrans-57.9136.9174.6-51.30000109.7Y145 N186 R188T143-Y145 HydrophobicContact CG2-CE1 4.48Å; T143-Y145 HydrophobicContact CG2-CE2 4.25Å; T143-N186 WeakPolarHBondContact CA-O 3.43Å; T143-N186 WeakPolarHBondContact CA-OD1 3.39Å; T143-N186 WeakPolarHBondContact CB-OD1 3.03Å; T143-N186 PolarHBondContact N-ND2 3.14Å; T143-N186 PolarHBondContact OG1-OD1 2.77Å; T143-R188 HydrophobicContact CG2-CG 3.87Å
144K85.7Confident73.4Confident4 Ų456.1 Ų56.12%0.01725%0.246CC..EExtended strand (participates in β ladder)trans-100.1147.5173-58.1-65.8174-76.30109.7A139 T142 N186 I187 R188 L342 Y343A139-K144 PolarHBondContact O-NZ 2.85Å; T142-K144 PolarHBondContact O-N 3Å; T142-K144 PolarHBondContact O-NZ 2.79Å; T142-K144 PolarHBondContact OG1-NZ 2.97Å; K144-N186 PolarHBondContact N-O 3.18Å; K144-I187 HydrophobicContact CB-CB 4.46Å; K144-I187 HydrophobicContact CB-CG1 4.1Å; K144-I187 HydrophobicContact CB-CG2 4.26Å; K144-I187 HydrophobicContact CG-CG1 4.47Å; K144-I187 CarbonylContact O-C 3.56Å; K144-I187 WeakPolarHBondContact O-CA 3.35Å; K144-R188 PolarHBondContact O-N 2.04Å; K144-L342 WeakPolarHBondContact CA-O 3.19Å; K144-L342 HydrophobicContact CB-CB 4.04Å; K144-L342 HydrophobicContact CB-CD1 4.49Å; K144-L342 HydrophobicContact CD-CB 4.05Å; K144-Y343 HydrophobicContact CD-CD2 4.49Å; K144-Y343 HydrophobicContact CD-CE1 4.33Å; K144-Y343 HydrophobicContact CD-CE2 4.27Å; K144-Y343 VanDerWaalsContact CE-CZ 3.41Å; K144-Y343 WeakPolarHBondContact CE-OH 3.5Å
145Y86.1Confident76.6Confident36 Ų3650.5 Ų50.514%0.14123%0.225CC..EExtended strand (participates in β ladder)trans-119.5134.1174.7-58.5-93000108.4T143 R188 L342 M345 P346T143-Y145 HydrophobicContact CG2-CE1 4.48Å; T143-Y145 HydrophobicContact CG2-CE2 4.25Å; Y145-R188 CarbonylContact C-O 3.37Å; Y145-R188 WeakPolarHBondContact CA-O 2.98Å; Y145-R188 HydrophobicContact CD1-CB 3.86Å; Y145-R188 HydrophobicContact CD1-CG 4.3Å; Y145-R188 HydrophobicContact CE1-CB 4.18Å; Y145-R188 HydrophobicContact CE1-CG 4.1Å; Y145-L342 PolarHBondContact N-O 2.82Å; Y145-L342 VanDerWaalsContact O-CA 3.28Å; Y145-L342 WeakPolarHBondContact O-CA 3.45Å; Y145-L342 VanDerWaalsContact O-CB 3.3Å; Y145-L342 WeakPolarHBondContact O-CB 3.34Å; Y145-L342 WeakPolarHBondContact O-CD2 3.34Å; Y145-M345 HydrophobicContact CD2-CB 4.26Å; Y145-M345 HydrophobicContact CE1-CG 4.01Å; Y145-M345 HydrophobicContact CE2-CB 3.94Å; Y145-M345 HydrophobicContact CE2-CG 4.15Å; Y145-P346 HydrophobicContact CD1-CG 4.38Å
146V92Very high79.6Confident0 Ų043.7 Ų43.70%019%0.193CC..EExtended strand (participates in β ladder)trans-111.2111.9175-176.60000108.2L148 I187 R188 V189 A190 D231 N232 M254 F286 L342V146-L148 HydrophobicContact CG1-CB 4.46Å; V146-L148 PolarHBondContact O-N 3.45Å; V146-I187 HydrophobicContact CG2-CG2 3.8Å; V146-R188 PolarHBondContact N-O 3.07Å; V146-V189 HydrophobicContact CB-CG2 4.41Å; V146-A190 PolarHBondContact O-N 2.87Å; V146-A190 VanDerWaalsContact O-O 3.1Å; V146-D231 HydrophobicContact CG1-CB 4.41Å; V146-N232 HydrophobicContact CG1-CB 4.14Å; V146-M254 HydrophobicContact CG1-CE 4.34Å; V146-F286 HydrophobicContact CG2-CE2 4.11Å; V146-F286 HydrophobicContact CG2-CZ 3.58Å; V146-L342 HydrophobicContact CB-CD2 4.48Å; V146-L342 HydrophobicContact CG2-CD2 4.09Å
147E91.5Very high82.2Confident22 Ų2240.5 Ų40.510%0.10318%0.179CC..EExtended strand (participates in β ladder)trans-75.195.7168.4-68.7-174163.100109.3H25 A190 V192 D231 N232 P346H25-E147 IonicContact CE1-OE1 3.05Å; E147-A190 WeakPolarHBondContact CA-O 2.98Å; E147-V192 HydrophobicContact CB-CG1 3.56Å; E147-V192 HydrophobicContact CB-CG2 4.19Å; E147-V192 HydrophobicContact CG-CG1 3.69Å; E147-D231 HydrophobicContact CB-CB 4.28Å; E147-D231 WeakPolarHBondContact CB-OD2 3.47Å; E147-D231 PolarHBondContact N-OD2 3.1Å; E147-D231 PolarHBondContact O-N 2.85Å; E147-N232 PolarHBondContact O-N 2.82Å; E147-P346 HydrophobicContact CG-CB 4.47Å
148L94.3Very high84.9Confident0 Ų034.3 Ų34.30%016%0.159CC..EExtended strand (participates in β ladder)trans-98.2135.1-173.7-179.764.3000111.8V146 I150 V189 A190 L191 V192 N232 Q234V146-L148 HydrophobicContact CG1-CB 4.46Å; V146-L148 PolarHBondContact O-N 3.45Å; L148-I150 HydrophobicContact CD2-CD1 3.99Å; L148-I150 HydrophobicContact CD2-CG1 3.87Å; L148-I150 HydrophobicContact CG-CG1 3.99Å; L148-V189 HydrophobicContact CB-CG1 3.85Å; L148-V189 HydrophobicContact CD2-CG1 3.57Å; L148-V189 HydrophobicContact CG-CG1 4.36Å; L148-A190 PolarHBondContact N-O 2.77Å; L148-L191 WeakPolarHBondContact O-CA 3.08Å; L148-V192 WeakPolarHBondContact O-CG2 3.06Å; L148-V192 PolarHBondContact O-N 2.88Å; L148-N232 WeakPolarHBondContact CA-O 3.03Å; L148-N232 HydrophobicContact CD1-CB 4.3Å; L148-Q234 HydrophobicContact CD1-CB 4.45Å; L148-Q234 HydrophobicContact CD1-CG 3.83Å
149I95.7Very high87.3Confident3 Ų333.9 Ų33.92%0.01516%0.156CC..EExtended strand (participates in β ladder)trans-107.5135.8160.4-63.7-178.5000109.3V151 V192 G193 L224 K228 H230 N232 A233 Q234I149-V151 HydrophobicContact CG2-CG2 4.05Å; I149-V192 HydrophobicContact CD1-CG2 4.28Å; I149-V192 HydrophobicContact CG1-CG2 3.6Å; I149-G193 WeakPolarHBondContact CA-O 2.92Å; I149-L224 HydrophobicContact CB-CD2 4.43Å; I149-L224 HydrophobicContact CD1-CD1 4.13Å; I149-L224 HydrophobicContact CD1-CD2 4.05Å; I149-L224 HydrophobicContact CD1-CG 4.18Å; I149-L224 HydrophobicContact CG2-CD2 4.08Å; I149-K228 HydrophobicContact CD1-CB 4.31Å; I149-K228 HydrophobicContact CD1-CD 3.86Å; I149-K228 HydrophobicContact CD1-CG 3.99Å; I149-H230 HydrophobicContact CD1-CB 3.8Å; I149-H230 WeakPolarHBondContact CD1-ND1 3.2Å; I149-H230 HydrophobicContact CG1-CB 3.85Å; I149-N232 PolarHBondContact N-O 2.82Å; I149-A233 HydrophobicContact CB-CB 4.35Å; I149-A233 CarbonylContact O-C 3.6Å; I149-A233 VanDerWaalsContact O-CA 3.29Å; I149-A233 WeakPolarHBondContact O-CA 3.44Å; I149-Q234 PolarHBondContact O-N 2.92Å
150I98Very high89.5Confident0 Ų033.4 Ų33.40%015%0.151CC..EExtended strand (participates in β ladder)trans-112.8128.3169.9-54.2-179.4000109.1L148 L171 I174 A175 L191 G193 L194 E195 Q234 I236 L278L148-I150 HydrophobicContact CD2-CD1 3.99Å; L148-I150 HydrophobicContact CD2-CG1 3.87Å; L148-I150 HydrophobicContact CG-CG1 3.99Å; I150-L171 HydrophobicContact CG2-CB 4.23Å; I150-L171 HydrophobicContact CG2-CD1 4.3Å; I150-L171 HydrophobicContact CG2-CD2 3.89Å; I150-L171 HydrophobicContact CG2-CG 4.34Å; I150-I174 HydrophobicContact CD1-CG2 4.3Å; I150-A175 HydrophobicContact CD1-CB 3.82Å; I150-L191 HydrophobicContact CB-CD1 4.43Å; I150-L191 HydrophobicContact CD1-CD1 4.05Å; I150-L191 HydrophobicContact CG1-CD1 3.85Å; I150-G193 PolarHBondContact N-O 3.04Å; I150-G193 VanDerWaalsContact N-O 3.15Å; I150-L194 HydrophobicContact CB-CD2 3.76Å; I150-L194 WeakPolarHBondContact O-CA 3.38Å; I150-E195 PolarHBondContact O-N 3.21Å; I150-E195 VanDerWaalsContact O-N 3.08Å; I150-Q234 WeakPolarHBondContact CA-O 3Å; I150-I236 HydrophobicContact CG2-CD1 4.31Å; I150-I236 HydrophobicContact CG2-CG1 3.58Å; I150-L278 HydrophobicContact CD1-CD1 3.83Å; I150-L278 HydrophobicContact CG1-CD1 4.34Å
151V98.4Very high91.5Very high0 Ų031.2 Ų31.20%016%0.156CC..EExtended strand (participates in β ladder)trans-110.4137.7179.7-173.80000108.8I149 E195 W197 F216 W219 Q234 L235 I236I149-V151 HydrophobicContact CG2-CG2 4.05Å; V151-E195 CarbonylContact C-O 3.56Å; V151-E195 VanDerWaalsContact CA-O 3.27Å; V151-E195 WeakPolarHBondContact CA-O 3.44Å; V151-E195 HydrophobicContact CG1-CB 4.33Å; V151-E195 HydrophobicContact CG2-CB 4.3Å; V151-W197 HydrophobicContact CG1-CD2 4.18Å; V151-W197 HydrophobicContact CG1-CZ2 3.78Å; V151-F216 HydrophobicContact CB-CE2 4.08Å; V151-F216 HydrophobicContact CB-CZ 4.44Å; V151-F216 HydrophobicContact CG1-CE2 4.46Å; V151-F216 HydrophobicContact CG2-CE2 3.96Å; V151-F216 HydrophobicContact CG2-CZ 4.16Å; V151-W219 HydrophobicContact CG2-CH2 4.29Å; V151-W219 HydrophobicContact CG2-CZ3 4.15Å; V151-Q234 PolarHBondContact N-O 2.04Å; V151-L235 HydrophobicContact CB-CD1 3.98Å; V151-L235 HydrophobicContact CG1-CD1 3.86Å; V151-L235 CarbonylContact O-C 3.55Å; V151-L235 WeakPolarHBondContact O-CA 3.37Å; V151-I236 PolarHBondContact O-N 3.4Å
152A98.6Very high93Very high0 Ų032.4 Ų32.40%016%0.156CC..EExtended strand (participates in β ladder)trans-110.8130.1169.300000110.7E156 V167 L171 E195 V196 W197 I236A152-E156 HydrophobicContact CB-CB 4.26Å; A152-E156 HydrophobicContact CB-CG 4.13Å; A152-V167 HydrophobicContact CB-CG1 3.74Å; A152-L171 HydrophobicContact CB-CD1 3.84Å; A152-L171 HydrophobicContact CB-CD2 4.24Å; A152-E195 PolarHBondContact N-O 2.8Å; A152-V196 HydrophobicContact CB-CG1 4.48Å; A152-V196 HydrophobicContact CB-CG2 4.46Å; A152-W197 PolarHBondContact O-N 3.37Å; A152-I236 WeakPolarHBondContact CA-O 3.01Å
153D98.3Very high94.1Very high0 Ų035.5 Ų35.50%017%0.172CC..  trans-70167.317475.5-2.6000112.5R155 E156 F157 W197 I205 L235 I236 S237 G238D153-R155 PolarHBondContact O-N 2.04Å; D153-R155 WeakPolarHBondContact OD1-CB 3.04Å; D153-R155 PolarHBondContact OD1-N 2.8Å; D153-E156 PolarHBondContact O-N 3.2Å; D153-E156 VanDerWaalsContact OD1-CB 3.29Å; D153-E156 WeakPolarHBondContact OD1-CB 2.9Å; D153-E156 PolarHBondContact OD1-N 2.03Å; D153-F157 PolarHBondContact O-N 3.32Å; D153-F157 VanDerWaalsContact O-N 3.11Å; D153-W197 HydrophobicContact CB-CE3 4.16Å; D153-I205 HydrophobicContact CB-CG1 4.22Å; D153-L235 HydrophobicContact CB-CD1 4.34Å; D153-I236 PolarHBondContact N-O 3.19Å; D153-S237 WeakPolarHBondContact OD2-CA 3.25Å; D153-S237 VanDerWaalsContact OD2-CB 3.28Å; D153-S237 WeakPolarHBondContact OD2-CB 3.32Å; D153-S237 PolarHBondContact OD2-OG 3.04Å; D153-G238 PolarHBondContact OD1-N 3.5Å
154N97.9Very high94.6Very high22 Ų2235.1 Ų35.112%0.11817%0.168CC..Hα-helixtrans-62.8-27.5178.8-169-99.5000111.4F157 Q158 W197 S198 D199 S200 D201N154-F157 PolarHBondContact O-N 3.26Å; N154-Q158 VanDerWaalsContact O-CG 3.29Å; N154-Q158 WeakPolarHBondContact O-CG 3.33Å; N154-Q158 PolarHBondContact O-N 3.35Å; N154-Q158 PolarHBondContact OD1-NE2 3.13Å; N154-W197 VanDerWaalsContact CA-O 3.28Å; N154-W197 WeakPolarHBondContact CA-O 3.46Å; N154-W197 VanDerWaalsContact CB-O 3.28Å; N154-W197 WeakPolarHBondContact CB-O 3Å; N154-W197 PolarHBondContact ND2-O 2.97Å; N154-S198 VanDerWaalsContact ND2-C 3.35Å; N154-S198 PolarHBondContact ND2-O 3.43Å; N154-D199 VanDerWaalsContact ND2-C 3.32Å; N154-D199 PolarHBondContact ND2-O 2.04Å; N154-S200 PolarHBondContact ND2-N 2.78Å; N154-D201 WeakPolarHBondContact CB-OD1 3.46Å; N154-D201 PolarHBondContact N-OD1 2.9Å
155R97.4Very high94.7Very high132 Ų13239.2 Ų39.250%0.49819%0.188SC..Hα-helixtrans-69.5-39.7178.1-169.857.5161.2-176.4-8.1112.3D153 Q158 K159 G238 V239D153-R155 PolarHBondContact O-N 2.04Å; D153-R155 WeakPolarHBondContact OD1-CB 3.04Å; D153-R155 PolarHBondContact OD1-N 2.8Å; R155-Q158 WeakPolarHBondContact O-CB 3.44Å; R155-Q158 PolarHBondContact O-N 2.83Å; R155-K159 WeakPolarHBondContact O-CB 3.09Å; R155-K159 PolarHBondContact O-N 2.79Å; R155-G238 VanDerWaalsContact CG-O 3.24Å; R155-G238 WeakPolarHBondContact CG-O 3.49Å; R155-V239 HydrophobicContact CB-CG2 3.84Å; R155-V239 HydrophobicContact CG-CG2 3.84Å
156E97.6Very high94.9Very high0 Ų042 Ų420%020%0.2CC..Hα-helixtrans-67.1-42173.5-178.553.7-152.800110.5A152 D153 Q158 K159 Q160 R170 I236A152-E156 HydrophobicContact CB-CB 4.26Å; A152-E156 HydrophobicContact CB-CG 4.13Å; D153-E156 PolarHBondContact O-N 3.2Å; D153-E156 VanDerWaalsContact OD1-CB 3.29Å; D153-E156 WeakPolarHBondContact OD1-CB 2.9Å; D153-E156 PolarHBondContact OD1-N 2.03Å; E156-Q158 VanDerWaalsContact C-N 3.32Å; E156-Q158 PolarHBondContact O-N 2.95Å; E156-K159 WeakPolarHBondContact O-CB 3.47Å; E156-K159 PolarHBondContact O-N 2.96Å; E156-K159 VanDerWaalsContact O-N 3.11Å; E156-K159 VanDerWaalsContact OE2-CD 3.3Å; E156-K159 WeakPolarHBondContact OE2-CD 3.3Å; E156-Q160 PolarHBondContact O-N 3.34Å; E156-Q160 VanDerWaalsContact OE1-CG 3.3Å; E156-Q160 WeakPolarHBondContact OE1-CG 3.48Å; E156-Q160 PolarHBondContact OE1-NE2 2.03Å; E156-R170 WeakPolarHBondContact OE1-CD 3.5Å; E156-R170 IonicContact OE1-NE 3.35Å; E156-I236 HydrophobicContact CG-CG2 4.26Å
157F97.3Very high94.9Very high22 Ų2242 Ų4210%0.09620%0.2CC..Hα-helixtrans-57.2-43.7171.4176.1-114.5000112.5D153 N154 R162 L164 V167 V196 S198D153-F157 PolarHBondContact O-N 3.32Å; D153-F157 VanDerWaalsContact O-N 3.11Å; N154-F157 PolarHBondContact O-N 3.26Å; F157-R162 HydrophobicContact CD1-CG 4.41Å; F157-R162 HydrophobicContact CE1-CB 3.85Å; F157-R162 HydrophobicContact CE1-CG 4.05Å; F157-R162 HydrophobicContact CE2-CB 4.28Å; F157-R162 WeakPolarHBondContact CE2-O 3.31Å; F157-R162 HydrophobicContact CZ-CB 3.72Å; F157-R162 HydrophobicContact CZ-CG 4.43Å; F157-R162 VanDerWaalsContact CZ-O 3.28Å; F157-R162 WeakPolarHBondContact CZ-O 3.28Å; F157-R162 VanDerWaalsContact O-CA 3.28Å; F157-R162 WeakPolarHBondContact O-CA 3.41Å; F157-R162 PolarHBondContact O-N 2.88Å; F157-L164 HydrophobicContact CD2-CD2 4.13Å; F157-L164 HydrophobicContact CE2-CD2 3.66Å; F157-L164 HydrophobicContact CE2-CG 3.83Å; F157-L164 HydrophobicContact CZ-CD2 4.35Å; F157-L164 HydrophobicContact CZ-CG 4.43Å; F157-V167 HydrophobicContact CD2-CG2 4.09Å; F157-V196 HydrophobicContact CB-CG1 4.1Å; F157-V196 HydrophobicContact CD2-CG1 4.04Å; F157-V196 HydrophobicContact CG-CG1 4.3Å; F157-S198 WeakPolarHBondContact CD1-O 3.43Å; F157-S198 WeakPolarHBondContact CE1-O 3.41Å
158Q96.5Very high94.8Very high72 Ų7241.9 Ų41.934%0.33620%0.199SC..Hα-helixtrans-63.8-44172.2-70.1173.733.600112.5N154 R155 E156 Q160 G161N154-Q158 VanDerWaalsContact O-CG 3.29Å; N154-Q158 WeakPolarHBondContact O-CG 3.33Å; N154-Q158 PolarHBondContact O-N 3.35Å; N154-Q158 PolarHBondContact OD1-NE2 3.13Å; R155-Q158 WeakPolarHBondContact O-CB 3.44Å; R155-Q158 PolarHBondContact O-N 2.83Å; E156-Q158 VanDerWaalsContact C-N 3.32Å; E156-Q158 PolarHBondContact O-N 2.95Å; Q158-Q160 VanDerWaalsContact C-N 3.31Å; Q158-Q160 PolarHBondContact O-N 2.92Å; Q158-G161 PolarHBondContact O-N 3.06Å
159K94.6Very high94.4Very high62 Ų6243 Ų4327%0.2720%0.204SC..Hα-helixtrans-58.8-41.5-179.4-173-166.4175.4-166.80111.6R155 E156 G161 D266R155-K159 WeakPolarHBondContact O-CB 3.09Å; R155-K159 PolarHBondContact O-N 2.79Å; E156-K159 WeakPolarHBondContact O-CB 3.47Å; E156-K159 PolarHBondContact O-N 2.96Å; E156-K159 VanDerWaalsContact O-N 3.11Å; E156-K159 VanDerWaalsContact OE2-CD 3.3Å; E156-K159 WeakPolarHBondContact OE2-CD 3.3Å; K159-G161 PolarHBondContact O-N 3.42Å; K159-D266 VanDerWaalsContact NZ-CG 3.28Å; K159-D266 PolarHBondContact NZ-O 3.08Å; K159-D266 IonicContact NZ-OD2 2.67Å; K159-D266 PolarHBondContact NZ-OD2 2.77Å
160Q94.4Very high94.1Very high9 Ų943.4 Ų43.44%0.04221%0.206CC..THydrogen-bonded Turntrans-73.8-2.2176.8-61.2-50.5-3600114.2E156 Q158 K166 V167E156-Q160 PolarHBondContact O-N 3.34Å; E156-Q160 VanDerWaalsContact OE1-CG 3.3Å; E156-Q160 WeakPolarHBondContact OE1-CG 3.48Å; E156-Q160 PolarHBondContact OE1-NE2 2.03Å; Q158-Q160 VanDerWaalsContact C-N 3.31Å; Q158-Q160 PolarHBondContact O-N 2.92Å; Q160-K166 HydrophobicContact CB-CD 4.4Å; Q160-K166 HydrophobicContact CB-CG 4.44Å; Q160-K166 WeakPolarHBondContact O-CD 2.97Å; Q160-K166 PolarHBondContact O-NZ 2.92Å; Q160-V167 HydrophobicContact CB-CG2 3.62Å; Q160-V167 HydrophobicContact CG-CG2 3.73Å
161G94.3Very high93.9Very high58 Ų5843.4 Ų43.460%0.59821%0.206SC*.THydrogen-bonded Turntrans96.820.2177.400000114.1Q158 K159 D163Q158-G161 PolarHBondContact O-N 3.06Å; K159-G161 PolarHBondContact O-N 3.42Å; G161-D163 PolarHBondContact O-N 2.84Å
162R94.3Very high93.4Very high176 Ų17643.6 Ų43.666%0.66421%0.207SC*.SBendtrans61.629.2-174.3-55.1179177.5-175-4.4113.9F157F157-R162 HydrophobicContact CD1-CG 4.41Å; F157-R162 HydrophobicContact CE1-CB 3.85Å; F157-R162 HydrophobicContact CE1-CG 4.05Å; F157-R162 HydrophobicContact CE2-CB 4.28Å; F157-R162 WeakPolarHBondContact CE2-O 3.31Å; F157-R162 HydrophobicContact CZ-CB 3.72Å; F157-R162 HydrophobicContact CZ-CG 4.43Å; F157-R162 VanDerWaalsContact CZ-O 3.28Å; F157-R162 WeakPolarHBondContact CZ-O 3.28Å; F157-R162 VanDerWaalsContact O-CA 3.28Å; F157-R162 WeakPolarHBondContact O-CA 3.41Å; F157-R162 PolarHBondContact O-N 2.88Å
163D93.6Very high92.8Very high77 Ų7743.7 Ų43.741%0.41221%0.208SC..  trans-100.3110.9175.9-177.5-28.1000109.4G161 E165 K166 V167G161-D163 PolarHBondContact O-N 2.84Å; D163-E165 PolarHBondContact OD1-N 2.79Å; D163-K166 HydrophobicContact CB-CB 3.81Å; D163-K166 PolarHBondContact OD1-N 3.49Å; D163-V167 WeakPolarHBondContact O-CG2 3Å; D163-V167 PolarHBondContact O-N 3.06Å; D163-V167 VanDerWaalsContact O-N 3.13Å
164L91.2Very high92.6Very high43 Ų4343.7 Ų43.723%0.22521%0.208CC..Hα-helixtrans-61.9-42.4-178.2-76.4172.7000112.4H30 F157 V167 K168 V196H30-L164 HydrophobicContact CB-CD1 4.39Å; H30-L164 HydrophobicContact CB-CD2 3.87Å; F157-L164 HydrophobicContact CD2-CD2 4.13Å; F157-L164 HydrophobicContact CE2-CD2 3.66Å; F157-L164 HydrophobicContact CE2-CG 3.83Å; F157-L164 HydrophobicContact CZ-CD2 4.35Å; F157-L164 HydrophobicContact CZ-CG 4.43Å; L164-V167 PolarHBondContact O-N 3.44Å; L164-K168 VanDerWaalsContact O-CG 3.28Å; L164-K168 WeakPolarHBondContact O-CG 3.34Å; L164-K168 PolarHBondContact O-N 3.44Å; L164-V196 HydrophobicContact CD2-CB 4.37Å; L164-V196 HydrophobicContact CD2-CG1 4.07Å
165E87.1Confident92.2Very high90 Ų9042.6 Ų42.642%0.42120%0.202SC..Hα-helixtrans-73.8-36.4-174.9-61.8-54.1122.700110.6D163 K168 Q169D163-E165 PolarHBondContact OD1-N 2.79Å; E165-K168 PolarHBondContact O-N 3.39Å; E165-K168 WeakPolarHBondContact OE1-CE 3.42Å; E165-K168 IonicContact OE1-NZ 3.61Å; E165-K168 PolarHBondContact OE1-NZ 3.23Å; E165-K168 IonicContact OE2-NZ 2.77Å; E165-Q169 WeakPolarHBondContact O-CB 3.2Å; E165-Q169 PolarHBondContact O-N 2.8Å
166K89.1Confident91.6Very high93 Ų9336.5 Ų36.540%0.40418%0.179SC..Hα-helixtrans-63.8-38.9172.2-173.2178.3164.2-1530112.8Q160 D163 R170Q160-K166 HydrophobicContact CB-CD 4.4Å; Q160-K166 HydrophobicContact CB-CG 4.44Å; Q160-K166 WeakPolarHBondContact O-CD 2.97Å; Q160-K166 PolarHBondContact O-NZ 2.92Å; D163-K166 HydrophobicContact CB-CB 3.81Å; D163-K166 PolarHBondContact OD1-N 3.49Å; K166-R170 WeakPolarHBondContact O-CB 2.98Å; K166-R170 PolarHBondContact O-N 2.03Å; K166-R170 VanDerWaalsContact O-N 3.1Å
167V93.4Very high91.2Very high0 Ų036.7 Ų36.70%018%0.18CC..Hα-helixtrans-63.7-53.9172.3175.50000110.3A152 F157 Q160 D163 L164 Q169 R170 L171 V196A152-V167 HydrophobicContact CB-CG1 3.74Å; F157-V167 HydrophobicContact CD2-CG2 4.09Å; Q160-V167 HydrophobicContact CB-CG2 3.62Å; Q160-V167 HydrophobicContact CG-CG2 3.73Å; D163-V167 WeakPolarHBondContact O-CG2 3Å; D163-V167 PolarHBondContact O-N 3.06Å; D163-V167 VanDerWaalsContact O-N 3.13Å; L164-V167 PolarHBondContact O-N 3.44Å; V167-Q169 VanDerWaalsContact C-N 3.31Å; V167-Q169 PolarHBondContact O-N 3.32Å; V167-R170 WeakPolarHBondContact O-CA 3.22Å; V167-R170 WeakPolarHBondContact O-CB 3.46Å; V167-R170 PolarHBondContact O-N 3.31Å; V167-L171 HydrophobicContact CG1-CD1 4.09Å; V167-L171 HydrophobicContact CG1-CG 4.19Å; V167-L171 WeakPolarHBondContact O-CG 3.33Å; V167-L171 PolarHBondContact O-N 3.49Å; V167-V196 HydrophobicContact CB-CG1 4.48Å; V167-V196 HydrophobicContact CB-CG2 4.42Å; V167-V196 HydrophobicContact CG1-CG1 4Å; V167-V196 HydrophobicContact CG1-CG2 3.72Å
168K88.9Confident90.9Very high20 Ų2035.7 Ų35.79%0.08718%0.175CC..Hα-helixtrans-54.7-46.9-179.1-70.2166.5177.6-171.30112.2E28 L164 E165 R170 L171 A172 L194 V196E28-K168 WeakPolarHBondContact OE2-CD 3.22Å; E28-K168 WeakPolarHBondContact OE2-CE 3.4Å; E28-K168 IonicContact OE2-NZ 3.69Å; E28-K168 PolarHBondContact OE2-NZ 3.43Å; L164-K168 VanDerWaalsContact O-CG 3.28Å; L164-K168 WeakPolarHBondContact O-CG 3.34Å; L164-K168 PolarHBondContact O-N 3.44Å; E165-K168 PolarHBondContact O-N 3.39Å; E165-K168 WeakPolarHBondContact OE1-CE 3.42Å; E165-K168 IonicContact OE1-NZ 3.61Å; E165-K168 PolarHBondContact OE1-NZ 3.23Å; E165-K168 IonicContact OE2-NZ 2.77Å; K168-R170 VanDerWaalsContact C-N 3.33Å; K168-R170 PolarHBondContact O-N 3.19Å; K168-L171 PolarHBondContact O-N 2.78Å; K168-A172 WeakPolarHBondContact O-CB 3.45Å; K168-A172 PolarHBondContact O-N 2.87Å; K168-L194 HydrophobicContact CB-CD1 4.04Å; K168-L194 HydrophobicContact CG-CD1 4.36Å; K168-L194 WeakPolarHBondContact O-CD1 3.25Å; K168-V196 HydrophobicContact CG-CG2 4.41Å
169Q85.4Confident90.4Very high23 Ų2332.3 Ų32.311%0.10716%0.16CC..Hα-helixtrans-58.6-44.3175.7-175.7-173.4-10.200111.2C67 L68 E165 V167 L171 A172 E173C67-Q169 HydrophobicContact CB-CG 4.44Å; L68-Q169 VanDerWaalsContact CD1-OE1 3.23Å; E165-Q169 WeakPolarHBondContact O-CB 3.2Å; E165-Q169 PolarHBondContact O-N 2.8Å; V167-Q169 VanDerWaalsContact C-N 3.31Å; V167-Q169 PolarHBondContact O-N 3.32Å; Q169-L171 PolarHBondContact O-N 3.38Å; Q169-A172 PolarHBondContact O-N 3.31Å; Q169-E173 HydrophobicContact CG-CG 4.37Å; Q169-E173 PolarHBondContact NE2-OE1 2.8Å; Q169-E173 WeakPolarHBondContact O-CB 3.33Å; Q169-E173 WeakPolarHBondContact O-CG 3.22Å; Q169-E173 PolarHBondContact O-N 3.34Å
170R90.7Very high89.9Confident13 Ų1330.5 Ų30.55%0.04915%0.152CC..Hα-helixtrans-60.3-43.7177.5-175.1177.2-174.674.311.2112.1E156 K166 V167 K168 E173 I174 D266 S268 E269 P271E156-R170 WeakPolarHBondContact OE1-CD 3.5Å; E156-R170 IonicContact OE1-NE 3.35Å; K166-R170 WeakPolarHBondContact O-CB 2.98Å; K166-R170 PolarHBondContact O-N 2.03Å; K166-R170 VanDerWaalsContact O-N 3.1Å; V167-R170 WeakPolarHBondContact O-CA 3.22Å; V167-R170 WeakPolarHBondContact O-CB 3.46Å; V167-R170 PolarHBondContact O-N 3.31Å; K168-R170 VanDerWaalsContact C-N 3.33Å; K168-R170 PolarHBondContact O-N 3.19Å; R170-E173 PolarHBondContact O-N 3.34Å; R170-I174 HydrophobicContact CG-CD1 4.22Å; R170-I174 VanDerWaalsContact O-CG1 3.31Å; R170-I174 WeakPolarHBondContact O-CG1 3.43Å; R170-I174 PolarHBondContact O-N 2.98Å; R170-D266 IonicContact CZ-OD1 2.89Å; R170-D266 IonicContact CZ-OD2 3.25Å; R170-D266 IonicContact NE-OD1 3.91Å; R170-D266 IonicContact NE-OD2 2.64Å; R170-D266 PolarHBondContact NE-OD2 2.93Å; R170-D266 IonicContact NH2-OD1 2.77Å; R170-D266 PolarHBondContact NH2-OD1 3.18Å; R170-D266 IonicContact NH2-OD2 3.82Å; R170-D266 PolarHBondContact NH2-OD2 3.49Å; R170-S268 PolarHBondContact NH2-O 2.91Å; R170-E269 PolarHBondContact NH1-O 3.27Å; R170-E269 PolarHBondContact NH2-O 3.43Å; R170-P271 HydrophobicContact CG-CG 4.47Å
171L93.5Very high89.5Confident0 Ų030.4 Ų30.40%015%0.151CC..Hα-helixtrans-66.5-38.6178.1-56.8-179000112.3I150 A152 V167 K168 Q169 I174 A175 L194 V196 I236I150-L171 HydrophobicContact CG2-CB 4.23Å; I150-L171 HydrophobicContact CG2-CD1 4.3Å; I150-L171 HydrophobicContact CG2-CD2 3.89Å; I150-L171 HydrophobicContact CG2-CG 4.34Å; A152-L171 HydrophobicContact CB-CD1 3.84Å; A152-L171 HydrophobicContact CB-CD2 4.24Å; V167-L171 HydrophobicContact CG1-CD1 4.09Å; V167-L171 HydrophobicContact CG1-CG 4.19Å; V167-L171 WeakPolarHBondContact O-CG 3.33Å; V167-L171 PolarHBondContact O-N 3.49Å; K168-L171 PolarHBondContact O-N 2.78Å; Q169-L171 PolarHBondContact O-N 3.38Å; L171-I174 WeakPolarHBondContact O-CB 3.3Å; L171-I174 PolarHBondContact O-N 2.76Å; L171-A175 PolarHBondContact O-N 2.78Å; L171-L194 HydrophobicContact CB-CD1 3.97Å; L171-L194 HydrophobicContact CB-CD2 3.57Å; L171-L194 HydrophobicContact CB-CG 4.43Å; L171-L194 HydrophobicContact CD1-CD1 4.4Å; L171-L194 HydrophobicContact CD1-CD2 3.88Å; L171-L194 HydrophobicContact CG-CD2 4.39Å; L171-V196 HydrophobicContact CD1-CG2 4.41Å; L171-I236 HydrophobicContact CD2-CB 3.89Å; L171-I236 HydrophobicContact CD2-CG1 3.63Å; L171-I236 HydrophobicContact CD2-CG2 4.27Å
172A87.4Confident89.3Confident3 Ų327.6 Ų27.63%0.02512%0.123CC..Hα-helixtrans-70.6-36.9174.900000112.5F22 Y49 K168 Q169 I174 A175 N176F22-A172 HydrophobicContact CE1-CB 4.34Å; F22-A172 HydrophobicContact CZ-CB 4.05Å; Y49-A172 HydrophobicContact CE1-CB 4.38Å; Y49-A172 HydrophobicContact CE2-CB 4.16Å; Y49-A172 WeakPolarHBondContact OH-CB 3.27Å; K168-A172 WeakPolarHBondContact O-CB 3.45Å; K168-A172 PolarHBondContact O-N 2.87Å; Q169-A172 PolarHBondContact O-N 3.31Å; A172-I174 VanDerWaalsContact C-N 3.32Å; A172-I174 PolarHBondContact O-N 3.42Å; A172-A175 PolarHBondContact O-N 2.72Å; A172-N176 WeakPolarHBondContact O-CB 3.41Å; A172-N176 PolarHBondContact O-N 3.33Å
173E86.3Confident88.8Confident2 Ų223.7 Ų23.71%0.00911%0.108CC..Hα-helixtrans-60.8-40.7170.1-77.6179.3-177.800111.6Y49 S65 R71 Q169 R170 N176 Y177 P271Y49-E173 HydrophobicContact CE1-CG 3.8Å; S65-E173 WeakPolarHBondContact CB-OE1 3.33Å; S65-E173 PolarHBondContact OG-OE1 3.35Å; R71-E173 WeakPolarHBondContact CD-OE1 3.32Å; R71-E173 WeakPolarHBondContact CD-OE2 3.08Å; R71-E173 IonicContact NH1-OE2 2.67Å; Q169-E173 HydrophobicContact CG-CG 4.37Å; Q169-E173 PolarHBondContact NE2-OE1 2.8Å; Q169-E173 WeakPolarHBondContact O-CB 3.33Å; Q169-E173 WeakPolarHBondContact O-CG 3.22Å; Q169-E173 PolarHBondContact O-N 3.34Å; R170-E173 PolarHBondContact O-N 3.34Å; E173-N176 PolarHBondContact O-N 2.68Å; E173-Y177 WeakPolarHBondContact O-CD2 3.3Å; E173-Y177 PolarHBondContact O-N 2.91Å; E173-P271 HydrophobicContact CB-CB 4.34Å; E173-P271 HydrophobicContact CB-CG 4.47Å
174I93.1Very high88.2Confident0 Ų023.2 Ų23.20%011%0.114CC..Hα-helixtrans-59.8-51.8171.9-75163.6000110.7I150 R170 L171 A172 N176 Y177 V178 I236 P271 A274 A275 L278I150-I174 HydrophobicContact CD1-CG2 4.3Å; R170-I174 HydrophobicContact CG-CD1 4.22Å; R170-I174 VanDerWaalsContact O-CG1 3.31Å; R170-I174 WeakPolarHBondContact O-CG1 3.43Å; R170-I174 PolarHBondContact O-N 2.98Å; L171-I174 WeakPolarHBondContact O-CB 3.3Å; L171-I174 PolarHBondContact O-N 2.76Å; A172-I174 VanDerWaalsContact C-N 3.32Å; A172-I174 PolarHBondContact O-N 3.42Å; I174-N176 VanDerWaalsContact C-N 3.29Å; I174-N176 PolarHBondContact O-N 2.59Å; I174-Y177 PolarHBondContact O-N 3.41Å; I174-V178 VanDerWaalsContact O-CG2 3.32Å; I174-V178 WeakPolarHBondContact O-CG2 3.3Å; I174-V178 PolarHBondContact O-N 3Å; I174-V178 VanDerWaalsContact O-N 3.14Å; I174-I236 HydrophobicContact CD1-CD1 4.49Å; I174-I236 HydrophobicContact CD1-CG1 4.4Å; I174-P271 HydrophobicContact CG1-CB 4.01Å; I174-A274 HydrophobicContact CD1-CB 3.69Å; I174-A274 HydrophobicContact CG1-CB 4.15Å; I174-A275 HydrophobicContact CB-CB 4.5Å; I174-A275 HydrophobicContact CG2-CB 4.25Å; I174-L278 HydrophobicContact CG2-CD1 3.62Å
175A90.3Very high88Confident0 Ų022.2 Ų22.20%011%0.109CC..Hα-helixtrans-58.5-39.7-179.900000112.7L21 I150 L171 A172 V178 D179 L191L21-A175 HydrophobicContact CD1-CB 4.03Å; L21-A175 HydrophobicContact CD2-CB 4.37Å; I150-A175 HydrophobicContact CD1-CB 3.82Å; L171-A175 PolarHBondContact O-N 2.78Å; A172-A175 PolarHBondContact O-N 2.72Å; A175-V178 PolarHBondContact O-N 2.87Å; A175-D179 PolarHBondContact O-N 2.95Å; A175-L191 HydrophobicContact CB-CD1 4.19Å; A175-L191 HydrophobicContact CB-CD2 4.13Å
176N85.1Confident87.7Confident3 Ų320.6 Ų20.62%0.01610%0.104CC..Hα-helixtrans-59-49.9178.2-169.647.6000112.1L21 Y49 H51 T63 A172 E173 I174 V178 D179 K180L21-N176 HydrophobicContact CD2-CB 3.84Å; Y49-N176 HydrophobicContact CD1-CB 3.85Å; Y49-N176 HydrophobicContact CG-CB 4.4Å; H51-N176 PolarHBondContact CE1-OD1 2.78Å; H51-N176 PolarHBondContact NE2-O 2.76Å; H51-N176 VanDerWaalsContact NE2-O 3.15Å; H51-N176 PolarHBondContact NE2-OD1 2.98Å; T63-N176 VanDerWaalsContact CG2-ND2 3.28Å; T63-N176 WeakPolarHBondContact CG2-ND2 3.42Å; A172-N176 WeakPolarHBondContact O-CB 3.41Å; A172-N176 PolarHBondContact O-N 3.33Å; E173-N176 PolarHBondContact O-N 2.68Å; I174-N176 VanDerWaalsContact C-N 3.29Å; I174-N176 PolarHBondContact O-N 2.59Å; N176-V178 VanDerWaalsContact C-N 3.29Å; N176-V178 PolarHBondContact O-N 3.42Å; N176-D179 PolarHBondContact O-N 2.97Å; N176-K180 PolarHBondContact O-N 2.74Å
177Y88.3Confident87.7Confident5 Ų516.3 Ų16.32%0.029%0.085CC..Hα-helixtrans-60.8-38175.4-65.5-51.9000112.3T63 G72 F73 E173 I174 K180 F181 P271 L272 A275T63-Y177 HydrophobicContact CG2-CD1 3.38Å; T63-Y177 HydrophobicContact CG2-CE1 3.64Å; T63-Y177 HydrophobicContact CG2-CG 4.42Å; G72-Y177 VanDerWaalsContact CA-OH 3.23Å; G72-Y177 WeakPolarHBondContact CA-OH 3.36Å; F73-Y177 AromaticContact CD1-CD1 3.69Å; F73-Y177 HydrophobicContact CD1-CD1 3.69Å; F73-Y177 AromaticContact CD1-CE1 3.47Å; F73-Y177 HydrophobicContact CD1-CE1 3.47Å; F73-Y177 VanDerWaalsContact CD1-CE1 3.47Å; F73-Y177 AromaticContact CE1-CD1 3.58Å; F73-Y177 HydrophobicContact CE1-CD1 3.58Å; F73-Y177 AromaticContact CE1-CE1 3.87Å; F73-Y177 HydrophobicContact CE1-CE1 3.87Å; E173-Y177 WeakPolarHBondContact O-CD2 3.3Å; E173-Y177 PolarHBondContact O-N 2.91Å; I174-Y177 PolarHBondContact O-N 3.41Å; Y177-K180 WeakPolarHBondContact O-CB 3.27Å; Y177-K180 PolarHBondContact O-N 2.86Å; Y177-F181 WeakPolarHBondContact O-CD2 3.46Å; Y177-F181 VanDerWaalsContact O-CG 3.24Å; Y177-F181 WeakPolarHBondContact O-CG 3.23Å; Y177-F181 PolarHBondContact O-N 2.79Å; Y177-F181 VanDerWaalsContact O-N 3.08Å; Y177-P271 HydrophobicContact CE2-CB 4.24Å; Y177-L272 HydrophobicContact CD1-CD1 4.49Å; Y177-L272 HydrophobicContact CE2-CB 4.42Å; Y177-L272 HydrophobicContact CG-CD1 4.37Å; Y177-A275 HydrophobicContact CD2-CB 3.92Å; Y177-A275 HydrophobicContact CG-CB 4.23Å
178V92.5Very high87.2Confident0 Ų017.7 Ų17.70%09%0.09CC..Hα-helixtrans-65.7-43.8179178.10000111.5I174 A175 N176 K180 F181 Y182 V189 A275 L278 A279 L282I174-V178 VanDerWaalsContact O-CG2 3.32Å; I174-V178 WeakPolarHBondContact O-CG2 3.3Å; I174-V178 PolarHBondContact O-N 3Å; I174-V178 VanDerWaalsContact O-N 3.14Å; A175-V178 PolarHBondContact O-N 2.87Å; N176-V178 VanDerWaalsContact C-N 3.29Å; N176-V178 PolarHBondContact O-N 3.42Å; V178-K180 VanDerWaalsContact C-N 3.32Å; V178-K180 PolarHBondContact O-N 3.29Å; V178-F181 PolarHBondContact O-N 3.16Å; V178-Y182 HydrophobicContact CG1-CD2 3.89Å; V178-Y182 HydrophobicContact CG1-CE2 4.2Å; V178-Y182 WeakPolarHBondContact O-CD2 3.12Å; V178-Y182 PolarHBondContact O-N 3.18Å; V178-Y182 VanDerWaalsContact O-N 3.09Å; V178-V189 HydrophobicContact CG1-CG2 4.16Å; V178-A275 HydrophobicContact CG2-CB 4.24Å; V178-A275 WeakPolarHBondContact CG2-O 3.38Å; V178-L278 HydrophobicContact CG1-CD2 3.99Å; V178-L278 HydrophobicContact CG2-CB 4.19Å; V178-L278 HydrophobicContact CG2-CD1 4.33Å; V178-L278 HydrophobicContact CG2-CD2 3.93Å; V178-L278 HydrophobicContact CG2-CG 4.37Å; V178-A279 HydrophobicContact CG2-CB 4.47Å; V178-L282 HydrophobicContact CG1-CD2 4.12Å
179D85.9Confident87.1Confident1 Ų116.7 Ų16.71%0.0059%0.086CC..Hα-helixtrans-57-45.7172.9-178.557.1000110.9L21 H51 A175 N176 F181 Y182 R183 R188 V189L21-D179 HydrophobicContact CD1-CB 4.45Å; H51-D179 IonicContact CE1-OD2 3.61Å; H51-D179 IonicContact ND1-OD2 3.03Å; A175-D179 PolarHBondContact O-N 2.95Å; N176-D179 PolarHBondContact O-N 2.97Å; D179-F181 VanDerWaalsContact C-N 3.34Å; D179-F181 PolarHBondContact O-N 3.2Å; D179-Y182 PolarHBondContact O-N 3.15Å; D179-R183 WeakPolarHBondContact O-CG 3.08Å; D179-R183 PolarHBondContact O-N 3.38Å; D179-R188 VanDerWaalsContact OD1-CA 3.3Å; D179-R188 WeakPolarHBondContact OD1-CA 3.38Å; D179-R188 IonicContact OD1-CZ 2.64Å; D179-R188 IonicContact OD1-NE 3.75Å; D179-R188 PolarHBondContact OD1-NE 3.24Å; D179-R188 IonicContact OD1-NH2 2.83Å; D179-R188 IonicContact OD2-CZ 2.76Å; D179-R188 IonicContact OD2-NE 2.84Å; D179-R188 PolarHBondContact OD2-NE 3.05Å; D179-R188 IonicContact OD2-NH2 2.84Å; D179-R188 PolarHBondContact OD2-NH2 2.79Å; D179-V189 HydrophobicContact CB-CB 4.14Å; D179-V189 PolarHBondContact OD1-N 2.81Å
180K82.2Confident87.1Confident25 Ų2515.8 Ų15.811%0.1098%0.082CC..Hα-helixtrans-55.6-45.9176.7-176.766.6178.9176.90112.7D61 T63 N176 Y177 V178D61-K180 WeakPolarHBondContact OD1-CE 3.39Å; D61-K180 IonicContact OD1-NZ 3.83Å; D61-K180 PolarHBondContact OD1-NZ 3.05Å; T63-K180 WeakPolarHBondContact OG1-CG 3.32Å; N176-K180 PolarHBondContact O-N 2.74Å; Y177-K180 WeakPolarHBondContact O-CB 3.27Å; Y177-K180 PolarHBondContact O-N 2.86Å; V178-K180 VanDerWaalsContact C-N 3.32Å; V178-K180 PolarHBondContact O-N 3.29Å
181F87.7Confident86.9Confident6 Ų615.2 Ų15.23%0.0268%0.08CC..Hα-helixtrans-65.1-39.2-179.9-56.4-35.8000112.2F73 Y177 V178 D179 L272 A275 V276 A279 I309 T320 F322F73-F181 HydrophobicContact CE1-CE1 4.13Å; F73-F181 HydrophobicContact CE1-CZ 4.41Å; F73-F181 HydrophobicContact CZ-CE1 4.14Å; Y177-F181 WeakPolarHBondContact O-CD2 3.46Å; Y177-F181 VanDerWaalsContact O-CG 3.24Å; Y177-F181 WeakPolarHBondContact O-CG 3.23Å; Y177-F181 PolarHBondContact O-N 2.79Å; Y177-F181 VanDerWaalsContact O-N 3.08Å; V178-F181 PolarHBondContact O-N 3.16Å; D179-F181 VanDerWaalsContact C-N 3.34Å; D179-F181 PolarHBondContact O-N 3.2Å; F181-L272 HydrophobicContact CZ-CD1 3.73Å; F181-A275 HydrophobicContact CE2-CB 4.35Å; F181-V276 HydrophobicContact CE2-CG2 3.79Å; F181-V276 HydrophobicContact CZ-CG2 3.87Å; F181-A279 HydrophobicContact CD2-CB 3.77Å; F181-A279 HydrophobicContact CE2-CB 4.49Å; F181-I309 HydrophobicContact CB-CD1 3.95Å; F181-I309 HydrophobicContact CD1-CD1 4.5Å; F181-I309 HydrophobicContact CD2-CD1 4.33Å; F181-I309 HydrophobicContact CG-CD1 4.03Å; F181-T320 HydrophobicContact CE1-CG2 3.85Å; F181-T320 HydrophobicContact CZ-CG2 4.41Å; F181-F322 HydrophobicContact CB-CE2 4.27Å
182Y89.9Confident86.6Confident0 Ų015.2 Ų15.20%08%0.08CC..Hα-helixtrans-77.9-22.4-177.5-87.9-86.8000114.2V178 D179 A184 L185 I187 V189 A279 L282 G283 F286 M288 F322V178-Y182 HydrophobicContact CG1-CD2 3.89Å; V178-Y182 HydrophobicContact CG1-CE2 4.2Å; V178-Y182 WeakPolarHBondContact O-CD2 3.12Å; V178-Y182 PolarHBondContact O-N 3.18Å; V178-Y182 VanDerWaalsContact O-N 3.09Å; D179-Y182 PolarHBondContact O-N 3.15Å; Y182-A184 PolarHBondContact O-N 2.64Å; Y182-L185 HydrophobicContact CD1-CD1 3.92Å; Y182-L185 HydrophobicContact CE1-CD1 3.95Å; Y182-L185 WeakPolarHBondContact O-CA 3.47Å; Y182-L185 WeakPolarHBondContact O-CB 3.43Å; Y182-L185 PolarHBondContact O-N 2.84Å; Y182-I187 CarbonylContact C-O 3.5Å; Y182-I187 HydrophobicContact CD1-CB 4.04Å; Y182-I187 HydrophobicContact CD1-CD1 4.13Å; Y182-I187 HydrophobicContact CD1-CG2 4.04Å; Y182-I187 PolarHBondContact O-N 3.44Å; Y182-I187 VanDerWaalsContact O-O 3.11Å; Y182-V189 HydrophobicContact CG-CG2 4.42Å; Y182-A279 HydrophobicContact CE2-CB 3.99Å; Y182-A279 PolarHBondContact OH-O 3.12Å; Y182-L282 HydrophobicContact CD2-CD2 4.21Å; Y182-L282 HydrophobicContact CE1-CD2 4.49Å; Y182-L282 HydrophobicContact CE2-CB 4.33Å; Y182-L282 HydrophobicContact CE2-CD2 3.8Å; Y182-L282 HydrophobicContact CE2-CG 4.39Å; Y182-G283 WeakPolarHBondContact OH-CA 3.17Å; Y182-G283 PolarHBondContact OH-N 2.98Å; Y182-F286 HydrophobicContact CD1-CD2 4.42Å; Y182-F286 AromaticContact CD1-CE2 3.98Å; Y182-F286 HydrophobicContact CD1-CE2 3.98Å; Y182-F286 AromaticContact CE1-CD2 3.52Å; Y182-F286 HydrophobicContact CE1-CD2 3.52Å; Y182-F286 AromaticContact CE1-CE2 3.49Å; Y182-F286 HydrophobicContact CE1-CE2 3.49Å; Y182-F286 VanDerWaalsContact CE1-CE2 3.49Å; Y182-M288 HydrophobicContact CE1-CE 4.15Å; Y182-F322 HydrophobicContact CD2-CE2 4.46Å; Y182-F322 HydrophobicContact CD2-CZ 4.44Å; Y182-F322 HydrophobicContact CE1-CZ 4.17Å; Y182-F322 HydrophobicContact CE2-CE2 4.25Å; Y182-F322 AromaticContact CE2-CZ 3.79Å; Y182-F322 HydrophobicContact CE2-CZ 3.79Å; Y182-F322 AromaticContact CZ-CZ 3.63Å
183R83.4Confident86.7Confident94 Ų9415.1 Ų15.136%0.3558%0.08SC..Hα-helixtrans-55.1-34.6172.7-78.117669-165.30.6113D179 L185 N186 I187D179-R183 WeakPolarHBondContact O-CG 3.08Å; D179-R183 PolarHBondContact O-N 3.38Å; R183-L185 PolarHBondContact O-N 2.86Å; R183-L185 VanDerWaalsContact O-N 3.07Å; R183-N186 PolarHBondContact O-N 3.07Å; R183-I187 WeakPolarHBondContact CA-O 3.48Å; R183-I187 PolarHBondContact N-O 2.9Å
184A81.3Confident87Confident66 Ų6615.2 Ų15.255%0.5458%0.08SC..THydrogen-bonded Turntrans-67.5-4.317600000114.8Y182 K327Y182-A184 PolarHBondContact O-N 2.64Å; A184-K327 PolarHBondContact O-NZ 2.79Å
185L86Confident87.2Confident23 Ų2315.8 Ų15.812%0.128%0.083CC..THydrogen-bonded Turntrans-114.56176.4-56.6177.4000112.8Y182 R183 I187 M288 F322 K327 L330Y182-L185 HydrophobicContact CD1-CD1 3.92Å; Y182-L185 HydrophobicContact CE1-CD1 3.95Å; Y182-L185 WeakPolarHBondContact O-CA 3.47Å; Y182-L185 WeakPolarHBondContact O-CB 3.43Å; Y182-L185 PolarHBondContact O-N 2.84Å; R183-L185 PolarHBondContact O-N 2.86Å; R183-L185 VanDerWaalsContact O-N 3.07Å; L185-I187 VanDerWaalsContact C-N 3.31Å; L185-I187 HydrophobicContact CB-CD1 4.35Å; L185-I187 HydrophobicContact CB-CG1 4.12Å; L185-M288 HydrophobicContact CD1-CE 3.6Å; L185-F322 HydrophobicContact CD1-CD1 4.29Å; L185-F322 HydrophobicContact CD1-CD2 3.53Å; L185-F322 HydrophobicContact CD1-CE1 4.38Å; L185-F322 HydrophobicContact CD1-CE2 3.63Å; L185-F322 HydrophobicContact CD1-CG 3.88Å; L185-F322 HydrophobicContact CD1-CZ 4.07Å; L185-F322 HydrophobicContact CD2-CB 4.12Å; L185-F322 HydrophobicContact CD2-CD2 4.27Å; L185-F322 HydrophobicContact CD2-CG 4.29Å; L185-F322 HydrophobicContact CG-CD2 3.92Å; L185-F322 HydrophobicContact CG-CE2 4.36Å; L185-F322 HydrophobicContact CG-CG 4.38Å; L185-K327 HydrophobicContact CD2-CD 4.14Å; L185-K327 HydrophobicContact CD2-CG 3.58Å; L185-L330 HydrophobicContact CB-CD2 4Å; L185-L330 HydrophobicContact CD1-CD2 4.16Å; L185-L330 HydrophobicContact CD2-CD2 4.34Å; L185-L330 HydrophobicContact CG-CD2 4.42Å
186N82.1Confident87.5Confident56 Ų5615.9 Ų15.930%0.2998%0.083SC..THydrogen-bonded Turntrans61.137.4-171.1-163.823000113Q140 K141 T143 K144 R183Q140-N186 PolarHBondContact O-ND2 3.28Å; K141-N186 PolarHBondContact O-ND2 3.18Å; T143-N186 WeakPolarHBondContact CA-O 3.43Å; T143-N186 WeakPolarHBondContact CA-OD1 3.39Å; T143-N186 WeakPolarHBondContact CB-OD1 3.03Å; T143-N186 PolarHBondContact N-ND2 3.14Å; T143-N186 PolarHBondContact OG1-OD1 2.77Å; K144-N186 PolarHBondContact N-O 3.18Å; R183-N186 PolarHBondContact O-N 3.07Å
187I87.6Confident88.1Confident2 Ų215.7 Ų15.71%0.018%0.083CC..EExtended strand (participates in β ladder)trans-122.2137.3176.9-53.6-169.7000107.8K144 V146 Y182 R183 L185 F286 L330K144-I187 HydrophobicContact CB-CB 4.46Å; K144-I187 HydrophobicContact CB-CG1 4.1Å; K144-I187 HydrophobicContact CB-CG2 4.26Å; K144-I187 HydrophobicContact CG-CG1 4.47Å; K144-I187 CarbonylContact O-C 3.56Å; K144-I187 WeakPolarHBondContact O-CA 3.35Å; V146-I187 HydrophobicContact CG2-CG2 3.8Å; Y182-I187 CarbonylContact C-O 3.5Å; Y182-I187 HydrophobicContact CD1-CB 4.04Å; Y182-I187 HydrophobicContact CD1-CD1 4.13Å; Y182-I187 HydrophobicContact CD1-CG2 4.04Å; Y182-I187 PolarHBondContact O-N 3.44Å; Y182-I187 VanDerWaalsContact O-O 3.11Å; R183-I187 WeakPolarHBondContact CA-O 3.48Å; R183-I187 PolarHBondContact N-O 2.9Å; L185-I187 VanDerWaalsContact C-N 3.31Å; L185-I187 HydrophobicContact CB-CD1 4.35Å; L185-I187 HydrophobicContact CB-CG1 4.12Å; I187-F286 HydrophobicContact CD1-CD1 4.24Å; I187-F286 HydrophobicContact CD1-CE1 3.65Å; I187-F286 HydrophobicContact CD1-CE2 4.09Å; I187-F286 HydrophobicContact CD1-CZ 3.57Å; I187-F286 HydrophobicContact CG2-CE2 4.41Å; I187-F286 HydrophobicContact CG2-CZ 3.9Å; I187-L330 HydrophobicContact CD1-CD1 4.17Å; I187-L330 HydrophobicContact CD1-CD2 4.04Å
188R84.5Confident88.5Confident29 Ų2916.3 Ų16.311%0.1099%0.088CC..EExtended strand (participates in β ladder)trans-110.2142.3171-61.6-54.7-55.8-75-2109.5T143 K144 Y145 V146 D179 Y361T143-R188 HydrophobicContact CG2-CG 3.87Å; K144-R188 PolarHBondContact O-N 2.04Å; Y145-R188 CarbonylContact C-O 3.37Å; Y145-R188 WeakPolarHBondContact CA-O 2.98Å; Y145-R188 HydrophobicContact CD1-CB 3.86Å; Y145-R188 HydrophobicContact CD1-CG 4.3Å; Y145-R188 HydrophobicContact CE1-CB 4.18Å; Y145-R188 HydrophobicContact CE1-CG 4.1Å; V146-R188 PolarHBondContact N-O 3.07Å; D179-R188 VanDerWaalsContact OD1-CA 3.3Å; D179-R188 WeakPolarHBondContact OD1-CA 3.38Å; D179-R188 IonicContact OD1-CZ 2.64Å; D179-R188 IonicContact OD1-NE 3.75Å; D179-R188 PolarHBondContact OD1-NE 3.24Å; D179-R188 IonicContact OD1-NH2 2.83Å; D179-R188 IonicContact OD2-CZ 2.76Å; D179-R188 IonicContact OD2-NE 2.84Å; D179-R188 PolarHBondContact OD2-NE 3.05Å; D179-R188 IonicContact OD2-NH2 2.84Å; D179-R188 PolarHBondContact OD2-NH2 2.79Å; R188-Y361 PolarHBondContact NH1-OH 2.87Å; R188-Y361 PolarHBondContact NH2-OH 2.88Å
189V86.9Confident88.7Confident0 Ų018.5 Ų18.50%010%0.099CC..EExtended strand (participates in β ladder)trans-108.2116.3173.8179.10000108.2V146 L148 V178 D179 Y182 L282V146-V189 HydrophobicContact CB-CG2 4.41Å; L148-V189 HydrophobicContact CB-CG1 3.85Å; L148-V189 HydrophobicContact CD2-CG1 3.57Å; L148-V189 HydrophobicContact CG-CG1 4.36Å; V178-V189 HydrophobicContact CG1-CG2 4.16Å; D179-V189 HydrophobicContact CB-CB 4.14Å; D179-V189 PolarHBondContact OD1-N 2.81Å; Y182-V189 HydrophobicContact CG-CG2 4.42Å; V189-L282 HydrophobicContact CG2-CD2 4.35Å
190A85.3Confident89.2Confident4 Ų421 Ų213%0.03312%0.117CC..EExtended strand (participates in β ladder)trans-106.3113.917700000108.5V146 E147 L148 V192 P346V146-A190 PolarHBondContact O-N 2.87Å; V146-A190 VanDerWaalsContact O-O 3.1Å; E147-A190 WeakPolarHBondContact CA-O 2.98Å; L148-A190 PolarHBondContact N-O 2.77Å; A190-V192 PolarHBondContact O-N 3.19Å; A190-V192 VanDerWaalsContact O-N 3.12Å; A190-P346 HydrophobicContact CB-CG 3.89Å
191L86.1Confident89.9Confident0 Ų022.9 Ų22.90%013%0.128CC..EExtended strand (participates in β ladder)trans-72.1105.3176.4-16967.3000108.7L21 F22 A23 Y26 L148 I150 A175 L194L21-L191 WeakPolarHBondContact O-CB 3.34Å; L21-L191 PolarHBondContact O-N 3.05Å; F22-L191 WeakPolarHBondContact CA-O 3.33Å; F22-L191 HydrophobicContact CD1-CB 4.43Å; F22-L191 HydrophobicContact CD1-CD2 4Å; F22-L191 HydrophobicContact CE1-CD2 3.75Å; A23-L191 PolarHBondContact N-O 3.37Å; Y26-L191 HydrophobicContact CD2-CG 4.4Å; Y26-L191 WeakPolarHBondContact CD2-O 3.48Å; Y26-L191 HydrophobicContact CE2-CD2 3.9Å; Y26-L191 HydrophobicContact CE2-CG 3.96Å; L148-L191 WeakPolarHBondContact O-CA 3.08Å; I150-L191 HydrophobicContact CB-CD1 4.43Å; I150-L191 HydrophobicContact CD1-CD1 4.05Å; I150-L191 HydrophobicContact CG1-CD1 3.85Å; A175-L191 HydrophobicContact CB-CD1 4.19Å; A175-L191 HydrophobicContact CB-CD2 4.13Å; L191-L194 HydrophobicContact CD1-CD2 4.03Å; L191-L194 HydrophobicContact CD2-CD2 3.92Å; L191-L194 HydrophobicContact CD2-CG 4.08Å; L191-L194 HydrophobicContact CG-CD2 4.41Å
192V86.7Confident90.3Very high0 Ų025.1 Ų25.10%014%0.138CC..EExtended strand (participates in β ladder)trans-87.4-16.5175.7-60.20000111.9A23 H25 Y26 E147 L148 I149 A190 K228 H230A23-V192 HydrophobicContact CB-CB 4.42Å; A23-V192 HydrophobicContact CB-CG1 3.68Å; H25-V192 VanDerWaalsContact NE2-CG1 3.34Å; H25-V192 WeakPolarHBondContact NE2-CG1 3.38Å; Y26-V192 WeakPolarHBondContact CA-O 3.12Å; E147-V192 HydrophobicContact CB-CG1 3.56Å; E147-V192 HydrophobicContact CB-CG2 4.19Å; E147-V192 HydrophobicContact CG-CG1 3.69Å; L148-V192 WeakPolarHBondContact O-CG2 3.06Å; L148-V192 PolarHBondContact O-N 2.88Å; I149-V192 HydrophobicContact CD1-CG2 4.28Å; I149-V192 HydrophobicContact CG1-CG2 3.6Å; A190-V192 PolarHBondContact O-N 3.19Å; A190-V192 VanDerWaalsContact O-N 3.12Å; V192-K228 WeakPolarHBondContact O-CE 3.04Å; V192-K228 PolarHBondContact O-NZ 2.85Å; V192-H230 HydrophobicContact CG2-CB 3.78Å
193G88.8Confident90.6Very high2 Ų225.7 Ų25.72%0.02114%0.142CC..EExtended strand (participates in β ladder)trans-171.6159.7172.100000116.2T27 I149 I150T27-G193 VanDerWaalsContact O-CA 3.25Å; T27-G193 WeakPolarHBondContact O-CA 3.47Å; I149-G193 WeakPolarHBondContact CA-O 2.92Å; I150-G193 PolarHBondContact N-O 3.04Å; I150-G193 VanDerWaalsContact N-O 3.15Å
194L94.1Very high91Very high4 Ų424.5 Ų24.52%0.02115%0.146CC..EExtended strand (participates in β ladder)trans-117.7142.6164.8-66.9-175.3000110.2Y26 T27 E28 T29 I150 K168 L171 L191Y26-L194 HydrophobicContact CE2-CG 4.15Å; Y26-L194 WeakPolarHBondContact OH-CD1 3.36Å; Y26-L194 VanDerWaalsContact OH-CG 3.26Å; Y26-L194 WeakPolarHBondContact OH-CG 3.09Å; T27-L194 PolarHBondContact O-N 3.01Å; T27-L194 VanDerWaalsContact O-N 3.15Å; E28-L194 WeakPolarHBondContact CA-O 3.3Å; T29-L194 PolarHBondContact N-O 3.48Å; I150-L194 HydrophobicContact CB-CD2 3.76Å; I150-L194 WeakPolarHBondContact O-CA 3.38Å; K168-L194 HydrophobicContact CB-CD1 4.04Å; K168-L194 HydrophobicContact CG-CD1 4.36Å; K168-L194 WeakPolarHBondContact O-CD1 3.25Å; L171-L194 HydrophobicContact CB-CD1 3.97Å; L171-L194 HydrophobicContact CB-CD2 3.57Å; L171-L194 HydrophobicContact CB-CG 4.43Å; L171-L194 HydrophobicContact CD1-CD1 4.4Å; L171-L194 HydrophobicContact CD1-CD2 3.88Å; L171-L194 HydrophobicContact CG-CD2 4.39Å; L191-L194 HydrophobicContact CD1-CD2 4.03Å; L191-L194 HydrophobicContact CD2-CD2 3.92Å; L191-L194 HydrophobicContact CD2-CG 4.08Å; L191-L194 HydrophobicContact CG-CD2 4.41Å
195E96Very high91.7Very high12 Ų1222.7 Ų22.76%0.05613%0.127CC..EExtended strand (participates in β ladder)trans-132.2128.6170.1-173.8170.2130.100110.6T29 Y31 I150 V151 A152 W197 W219T29-E195 HydrophobicContact CG2-CG 4.03Å; T29-E195 CarbonylContact O-C 3.57Å; T29-E195 WeakPolarHBondContact O-CA 3.46Å; Y31-E195 HydrophobicContact CE2-CG 4.08Å; Y31-E195 PolarHBondContact OH-OE1 3.43Å; Y31-E195 VanDerWaalsContact OH-OE1 3.11Å; I150-E195 PolarHBondContact O-N 3.21Å; I150-E195 VanDerWaalsContact O-N 3.08Å; V151-E195 CarbonylContact C-O 3.56Å; V151-E195 VanDerWaalsContact CA-O 3.27Å; V151-E195 WeakPolarHBondContact CA-O 3.44Å; V151-E195 HydrophobicContact CG1-CB 4.33Å; V151-E195 HydrophobicContact CG2-CB 4.3Å; A152-E195 PolarHBondContact N-O 2.8Å; E195-W197 PolarHBondContact OE1-NE1 3.46Å; E195-W219 WeakPolarHBondContact OE1-CH2 3.28Å; E195-W219 WeakPolarHBondContact OE1-CZ2 3.23Å
196V97.9Very high91.8Very high1 Ų123.8 Ų23.81%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-119.6117.7-179.8-176.50000108.9T29 Y31 A152 F157 L164 V167 K168 L171 S198T29-V196 PolarHBondContact O-N 3.12Å; Y31-V196 WeakPolarHBondContact CD2-O 3.26Å; A152-V196 HydrophobicContact CB-CG1 4.48Å; A152-V196 HydrophobicContact CB-CG2 4.46Å; F157-V196 HydrophobicContact CB-CG1 4.1Å; F157-V196 HydrophobicContact CD2-CG1 4.04Å; F157-V196 HydrophobicContact CG-CG1 4.3Å; L164-V196 HydrophobicContact CD2-CB 4.37Å; L164-V196 HydrophobicContact CD2-CG1 4.07Å; V167-V196 HydrophobicContact CB-CG1 4.48Å; V167-V196 HydrophobicContact CB-CG2 4.42Å; V167-V196 HydrophobicContact CG1-CG1 4Å; V167-V196 HydrophobicContact CG1-CG2 3.72Å; K168-V196 HydrophobicContact CG-CG2 4.41Å; L171-V196 HydrophobicContact CD1-CG2 4.41Å; V196-S198 PolarHBondContact O-N 3.45Å
197W97.8Very high91.9Very high0 Ų026.2 Ų26.20%014%0.144CC..  trans-78.164.5179.7-64.5-10000111.5Y31 V151 A152 D153 N154 E195 D199 D201 K202 I205 F216 W219 L235Y31-W197 AromaticContact CE2-CD1 3.84Å; V151-W197 HydrophobicContact CG1-CD2 4.18Å; V151-W197 HydrophobicContact CG1-CZ2 3.78Å; A152-W197 PolarHBondContact O-N 3.37Å; D153-W197 HydrophobicContact CB-CE3 4.16Å; N154-W197 VanDerWaalsContact CA-O 3.28Å; N154-W197 WeakPolarHBondContact CA-O 3.46Å; N154-W197 VanDerWaalsContact CB-O 3.28Å; N154-W197 WeakPolarHBondContact CB-O 3Å; N154-W197 PolarHBondContact ND2-O 2.97Å; E195-W197 PolarHBondContact OE1-NE1 3.46Å; W197-D199 VanDerWaalsContact C-N 3.34Å; W197-D199 PolarHBondContact O-N 2.88Å; W197-D201 HydrophobicContact CE3-CB 3.83Å; W197-D201 HydrophobicContact CZ3-CB 4.07Å; W197-K202 HydrophobicContact CD2-CB 4.12Å; W197-K202 HydrophobicContact CD2-CG 3.81Å; W197-K202 VanDerWaalsContact CE3-N 3.32Å; W197-K202 HydrophobicContact CG-CG 3.85Å; W197-K202 HydrophobicContact CH2-CB 4.16Å; W197-K202 HydrophobicContact CZ2-CB 3.7Å; W197-K202 HydrophobicContact CZ2-CG 4.14Å; W197-I205 HydrophobicContact CZ3-CD1 3.94Å; W197-I205 HydrophobicContact CZ3-CG1 4.08Å; W197-F216 HydrophobicContact CH2-CD2 4.41Å; W197-W219 AromaticContact CZ2-CD2 3.97Å; W197-W219 HydrophobicContact CZ2-CD2 3.97Å; W197-W219 AromaticContact CZ2-CE2 3.85Å; W197-W219 HydrophobicContact CZ2-CE3 4.03Å; W197-W219 AromaticContact CZ2-CH2 3.93Å; W197-W219 HydrophobicContact CZ2-CH2 3.93Å; W197-W219 AromaticContact CZ2-CZ2 3.86Å; W197-W219 HydrophobicContact CZ2-CZ2 3.86Å; W197-W219 HydrophobicContact CZ2-CZ3 4.01Å; W197-W219 AromaticContact NE1-CZ2 3.93Å; W197-L235 HydrophobicContact CH2-CD1 4.38Å; W197-L235 HydrophobicContact CZ3-CD1 4.38Å
198S96.6Very high91.5Very high18 Ų1828 Ų2813%0.12615%0.154CC..SBendtrans-69.4-22.2-168.846.70000115.7Y31 N154 F157 V196Y31-S198 PolarHBondContact N-OG 3.34Å; Y31-S198 PolarHBondContact O-OG 2.79Å; N154-S198 VanDerWaalsContact ND2-C 3.35Å; N154-S198 PolarHBondContact ND2-O 3.43Å; F157-S198 WeakPolarHBondContact CD1-O 3.43Å; F157-S198 WeakPolarHBondContact CE1-O 3.41Å; V196-S198 PolarHBondContact O-N 3.45Å
199D95.9Very high91.2Very high45 Ų4526.7 Ų26.724%0.24115%0.149CC..SBendtrans-93.6-50.6175.769-49.3000112.1Y31 R32 N154 W197 K202Y31-D199 WeakPolarHBondContact CB-OD1 3.48Å; R32-D199 WeakPolarHBondContact O-CB 3.29Å; N154-D199 VanDerWaalsContact ND2-C 3.32Å; N154-D199 PolarHBondContact ND2-O 2.04Å; W197-D199 VanDerWaalsContact C-N 3.34Å; W197-D199 PolarHBondContact O-N 2.88Å; D199-K202 WeakPolarHBondContact OD1-CE 3.06Å; D199-K202 IonicContact OD1-NZ 3.89Å; D199-K202 PolarHBondContact OD1-NZ 2.79Å; D199-K202 IonicContact OD2-NZ 3.77Å; D199-K202 PolarHBondContact OD2-NZ 2.83Å
200S96.3Very high90.6Very high54 Ų5427.1 Ų27.138%0.37815%0.151SC..SBendtrans-167.1149.1-169.661.70000111.3N154 K202N154-S200 PolarHBondContact ND2-N 2.78Å; S200-K202 WeakPolarHBondContact O-CE 3.42Å; S200-K202 PolarHBondContact O-NZ 2.91Å; S200-K202 PolarHBondContact OG-NZ 2.96Å
201D97.6Very high90.1Very high64 Ų6428.5 Ų28.534%0.34216%0.159SC..  trans-63.9140.9177.9-58.8-46.6000112.2N154 W197 C203 I205N154-D201 WeakPolarHBondContact CB-OD1 3.46Å; N154-D201 PolarHBondContact N-OD1 2.9Å; W197-D201 HydrophobicContact CE3-CB 3.83Å; W197-D201 HydrophobicContact CZ3-CB 4.07Å; D201-C203 WeakPolarHBondContact CB-O 3.49Å; D201-I205 HydrophobicContact CB-CG1 4.18Å
202K96.3Very high90.1Very high54 Ų5428.5 Ų28.524%0.23516%0.159CC..SBendtrans-94.1-6.9-176.5-49.7-55.4171-154.20114.2W197 D199 S200 W219W197-K202 HydrophobicContact CD2-CB 4.12Å; W197-K202 HydrophobicContact CD2-CG 3.81Å; W197-K202 VanDerWaalsContact CE3-N 3.32Å; W197-K202 HydrophobicContact CG-CG 3.85Å; W197-K202 HydrophobicContact CH2-CB 4.16Å; W197-K202 HydrophobicContact CZ2-CB 3.7Å; W197-K202 HydrophobicContact CZ2-CG 4.14Å; D199-K202 WeakPolarHBondContact OD1-CE 3.06Å; D199-K202 IonicContact OD1-NZ 3.89Å; D199-K202 PolarHBondContact OD1-NZ 2.79Å; D199-K202 IonicContact OD2-NZ 3.77Å; D199-K202 PolarHBondContact OD2-NZ 2.83Å; S200-K202 WeakPolarHBondContact O-CE 3.42Å; S200-K202 PolarHBondContact O-NZ 2.91Å; S200-K202 PolarHBondContact OG-NZ 2.96Å; K202-W219 HydrophobicContact CB-CZ2 4.42Å; K202-W219 VanDerWaalsContact CB-NE1 3.3Å; K202-W219 VanDerWaalsContact O-CD1 3.31Å
203C94.9Very high90.1Very high12 Ų1228.5 Ų28.58%0.08116%0.159CC..SBendtrans-142164.6162.372.10000109.3D201 I205 E215 W219D201-C203 WeakPolarHBondContact CB-O 3.49Å; C203-I205 PolarHBondContact O-N 3.08Å; C203-I205 VanDerWaalsContact O-N 3.16Å; C203-E215 HydrophobicContact CB-CB 4.02Å; C203-W219 HydrophobicContact CB-CB 3.97Å; C203-W219 HydrophobicContact CB-CG 4.43Å
204P92.7Very high89.8Confident69 Ų6930.5 Ų30.545%0.44817%0.168SC..  trans-61.2113.9175.2-2233.3000112.5E215P204-E215 HydrophobicContact CB-CG 4.26Å; P204-E215 VanDerWaalsContact CD-OE2 3.29Å; P204-E215 WeakPolarHBondContact CD-OE2 3.4Å; P204-E215 HydrophobicContact CG-CG 4.16Å
205I94.6Very high89.5Confident27 Ų2733.5 Ų33.514%0.13818%0.182CC..  trans-98.3126.1169.6-52.3-53.7000108.8D153 W197 D201 C203 T212 L235 V239D153-I205 HydrophobicContact CB-CG1 4.22Å; W197-I205 HydrophobicContact CZ3-CD1 3.94Å; W197-I205 HydrophobicContact CZ3-CG1 4.08Å; D201-I205 HydrophobicContact CB-CG1 4.18Å; C203-I205 PolarHBondContact O-N 3.08Å; C203-I205 VanDerWaalsContact O-N 3.16Å; I205-T212 HydrophobicContact CB-CG2 4.48Å; I205-T212 HydrophobicContact CD1-CG2 3.75Å; I205-T212 HydrophobicContact CG2-CG2 3.92Å; I205-L235 HydrophobicContact CD1-CD2 3.61Å; I205-V239 HydrophobicContact CG2-CB 4.11Å; I205-V239 HydrophobicContact CG2-CG2 3.69Å
206T89Confident89.5Confident46 Ų4633 Ų3328%0.28218%0.179SC..  trans-131.3170.3-176.181.50000111.2D208 T211 T212T206-D208 PolarHBondContact O-N 2.78Å; T206-D208 PolarHBondContact OG1-N 2.58Å; T206-D208 PolarHBondContact OG1-O 3.19Å; T206-D208 VanDerWaalsContact OG1-O 3.08Å; T206-T211 HydrophobicContact CG2-CG2 4.16Å; T206-T212 PolarHBondContact N-OG1 3.25Å; T206-T212 PolarHBondContact O-OG1 3.37Å; T206-T212 VanDerWaalsContact O-OG1 3.05Å; T206-T212 PolarHBondContact OG1-OG1 3.07Å
207Q85Confident89.3Confident108 Ų10833.3 Ų33.351%0.50518%0.181SC..SBendtrans-72.3-13.4170.3-56.8-173.4-24.800112.4P209 V239 Y240 F241 Q242Q207-P209 VanDerWaalsContact O-CD 3.27Å; Q207-P209 WeakPolarHBondContact O-CD 3.3Å; Q207-V239 HydrophobicContact CG-CG1 4.19Å; Q207-Y240 WeakPolarHBondContact CG-O 3.29Å; Q207-F241 CarbonylContact O-C 3.42Å; Q207-F241 VanDerWaalsContact O-CA 3.27Å; Q207-F241 WeakPolarHBondContact O-CA 3.49Å; Q207-Q242 HydrophobicContact CB-CG 3.73Å; Q207-Q242 WeakPolarHBondContact O-CG 3.34Å; Q207-Q242 PolarHBondContact O-N 2.04Å
208D78.1Confident88.9Confident39 Ų3936.5 Ų36.521%0.20920%0.198CC..  trans-79.8113.9168.9-177.948.6000109.1T206 F210 T211 T212T206-D208 PolarHBondContact O-N 2.78Å; T206-D208 PolarHBondContact OG1-N 2.58Å; T206-D208 PolarHBondContact OG1-O 3.19Å; T206-D208 VanDerWaalsContact OG1-O 3.08Å; D208-F210 PolarHBondContact O-N 3.37Å; D208-F210 VanDerWaalsContact OD1-CD2 3.28Å; D208-F210 WeakPolarHBondContact OD1-CD2 3.07Å; D208-F210 WeakPolarHBondContact OD2-CB 3.04Å; D208-F210 PolarHBondContact OD2-N 2.83Å; D208-T211 PolarHBondContact OD2-N 3.47Å; D208-T211 PolarHBondContact OD2-OG1 3.43Å; D208-T211 VanDerWaalsContact OD2-OG1 3.08Å; D208-T212 WeakPolarHBondContact O-CB 3.02Å; D208-T212 PolarHBondContact O-N 3.33Å; D208-T212 PolarHBondContact O-OG1 3.27Å
209P79.1Confident88.9Confident1 Ų136.6 Ų36.61%0.00620%0.195CC..Hα-helixtrans-66.2-26.4-179.827.3-34.3000111.7Q207 L213 F241 T245 M248 I263Q207-P209 VanDerWaalsContact O-CD 3.27Å; Q207-P209 WeakPolarHBondContact O-CD 3.3Å; P209-L213 WeakPolarHBondContact O-CB 3.29Å; P209-L213 PolarHBondContact O-N 2.91Å; P209-F241 HydrophobicContact CB-CB 4.17Å; P209-F241 HydrophobicContact CB-CD1 4Å; P209-F241 HydrophobicContact CB-CD2 4.15Å; P209-F241 HydrophobicContact CB-CE1 4.5Å; P209-F241 HydrophobicContact CB-CG 3.85Å; P209-F241 HydrophobicContact CG-CB 4.28Å; P209-F241 HydrophobicContact CG-CG 4.49Å; P209-T245 HydrophobicContact CB-CG2 3.9Å; P209-T245 HydrophobicContact CG-CG2 3.68Å; P209-M248 HydrophobicContact CB-CE 3.61Å; P209-M248 HydrophobicContact CB-SD 4.49Å; P209-M248 HydrophobicContact CG-CE 3.62Å; P209-I263 HydrophobicContact CB-CD1 3.86Å; P209-I263 WeakPolarHBondContact O-CD1 3.34Å
210F74.6Confident88.9Confident10 Ų1034.6 Ų34.64%0.04419%0.185CC..Hα-helixtrans-72-51.6-178.3-54.6-68.8000112.7H111 D208 T212 L213 H214 M248 Y551 L552 M556H111-F210 HydrophobicContact CB-CZ 4.36Å; D208-F210 PolarHBondContact O-N 3.37Å; D208-F210 VanDerWaalsContact OD1-CD2 3.28Å; D208-F210 WeakPolarHBondContact OD1-CD2 3.07Å; D208-F210 WeakPolarHBondContact OD2-CB 3.04Å; D208-F210 PolarHBondContact OD2-N 2.83Å; F210-T212 VanDerWaalsContact C-N 3.26Å; F210-T212 PolarHBondContact O-N 2.84Å; F210-L213 PolarHBondContact O-N 3.1Å; F210-H214 PolarHBondContact O-N 2.61Å; F210-M248 HydrophobicContact CD1-CE 3.27Å; F210-M248 HydrophobicContact CD1-SD 3.18Å; F210-M248 WeakPolarHBondContact CD1-SD 2.92Å; F210-M248 HydrophobicContact CE1-CE 2.98Å; F210-M248 HydrophobicContact CE1-SD 3.42Å; F210-M248 WeakPolarHBondContact CE1-SD 3.25Å; F210-M248 HydrophobicContact CE2-CE 4.35Å; F210-M248 HydrophobicContact CG-CE 4.04Å; F210-M248 HydrophobicContact CG-SD 4.14Å; F210-M248 HydrophobicContact CZ-CE 3.61Å; F210-Y551 WeakPolarHBondContact CE2-O 3.3Å; F210-Y551 VanDerWaalsContact CZ-O 3.25Å; F210-Y551 WeakPolarHBondContact CZ-O 3.43Å; F210-L552 VanDerWaalsContact CB-C 3.42Å; F210-L552 WeakPolarHBondContact CB-O 3.39Å; F210-L552 VanDerWaalsContact CD1-C 3.42Å; F210-L552 HydrophobicContact CD1-CB 3.53Å; F210-L552 HydrophobicContact CD1-CD2 3.91Å; F210-L552 HydrophobicContact CD1-CG 4.25Å; F210-L552 VanDerWaalsContact CD2-C 3.44Å; F210-L552 VanDerWaalsContact CE1-CA 3.41Å; F210-L552 HydrophobicContact CE1-CB 3.77Å; F210-L552 HydrophobicContact CE1-CD2 3.27Å; F210-L552 HydrophobicContact CE1-CG 4.07Å; F210-L552 HydrophobicContact CG-CB 4.19Å; F210-L552 WeakPolarHBondContact CG-O 3.35Å; F210-L552 HydrophobicContact CZ-CD2 4.01Å; F210-M556 HydrophobicContact CB-CB 4.4Å; F210-M556 HydrophobicContact CD1-SD 4.04Å
211T74.9Confident88.8Confident33 Ų3335.3 Ų35.320%0.20218%0.181CC..Hα-helixtrans-54.1-46.1171.2-64.10000110.6T206 D208 L213 H214 E215T206-T211 HydrophobicContact CG2-CG2 4.16Å; D208-T211 PolarHBondContact OD2-N 3.47Å; D208-T211 PolarHBondContact OD2-OG1 3.43Å; D208-T211 VanDerWaalsContact OD2-OG1 3.08Å; T211-L213 PolarHBondContact O-N 3.24Å; T211-H214 PolarHBondContact O-N 2.87Å; T211-E215 HydrophobicContact CG2-CG 4.26Å; T211-E215 WeakPolarHBondContact O-CB 3.49Å; T211-E215 WeakPolarHBondContact O-CG 3.49Å; T211-E215 PolarHBondContact O-N 3.01Å
212T85.3Confident88.6Confident0 Ų036.5 Ų36.50%019%0.19CC..Hα-helixtrans-61.8-43.3-178.6-55.90000112.5I205 T206 D208 F210 F216 L235 F241 I263I205-T212 HydrophobicContact CB-CG2 4.48Å; I205-T212 HydrophobicContact CD1-CG2 3.75Å; I205-T212 HydrophobicContact CG2-CG2 3.92Å; T206-T212 PolarHBondContact N-OG1 3.25Å; T206-T212 PolarHBondContact O-OG1 3.37Å; T206-T212 VanDerWaalsContact O-OG1 3.05Å; T206-T212 PolarHBondContact OG1-OG1 3.07Å; D208-T212 WeakPolarHBondContact O-CB 3.02Å; D208-T212 PolarHBondContact O-N 3.33Å; D208-T212 PolarHBondContact O-OG1 3.27Å; F210-T212 VanDerWaalsContact C-N 3.26Å; F210-T212 PolarHBondContact O-N 2.84Å; T212-F216 VanDerWaalsContact O-CB 3.28Å; T212-F216 WeakPolarHBondContact O-CB 2.97Å; T212-F216 PolarHBondContact O-N 3.15Å; T212-L235 HydrophobicContact CG2-CD2 4.22Å; T212-F241 HydrophobicContact CG2-CE1 4.07Å; T212-F241 HydrophobicContact CG2-CZ 4.33Å; T212-I263 HydrophobicContact CG2-CD1 4.19Å; T212-I263 HydrophobicContact CG2-CG2 4.39Å
213L87Confident88.5Confident0 Ų039.4 Ų39.40%020%0.203CC..Hα-helixtrans-67.1-40.8177.217759.1000112.2P209 F210 T211 L217 M248 I263 M556P209-L213 WeakPolarHBondContact O-CB 3.29Å; P209-L213 PolarHBondContact O-N 2.91Å; F210-L213 PolarHBondContact O-N 3.1Å; T211-L213 PolarHBondContact O-N 3.24Å; L213-L217 HydrophobicContact CD1-CD1 3.71Å; L213-L217 HydrophobicContact CD1-CG 3.92Å; L213-L217 HydrophobicContact CG-CD1 3.96Å; L213-L217 WeakPolarHBondContact O-CB 3.49Å; L213-L217 VanDerWaalsContact O-CG 3.3Å; L213-L217 WeakPolarHBondContact O-CG 3.07Å; L213-L217 PolarHBondContact O-N 2.89Å; L213-M248 HydrophobicContact CD2-CB 3.9Å; L213-M248 HydrophobicContact CD2-CG 3.55Å; L213-M248 HydrophobicContact CD2-SD 3.8Å; L213-I263 HydrophobicContact CB-CD1 3.9Å; L213-I263 HydrophobicContact CB-CG1 4.08Å; L213-I263 HydrophobicContact CB-CG2 4.1Å; L213-I263 HydrophobicContact CD1-CG1 4.43Å; L213-I263 HydrophobicContact CD1-CG2 3.9Å; L213-M556 HydrophobicContact CD2-CE 3.36Å; L213-M556 HydrophobicContact CD2-SD 3.89Å; L213-M556 HydrophobicContact CG-CE 4.27Å
214H81.9Confident88.4Confident44 Ų4439.2 Ų39.220%0.20420%0.201CC..Hα-helixtrans-62.1-52.3177.4176.132.7000111.5F210 T211 F216 L217 D218 D555F210-H214 PolarHBondContact O-N 2.61Å; T211-H214 PolarHBondContact O-N 2.87Å; H214-F216 VanDerWaalsContact C-N 3.32Å; H214-F216 PolarHBondContact O-N 3.15Å; H214-L217 PolarHBondContact O-N 2.03Å; H214-D218 IonicContact CE1-OD1 3.15Å; H214-D218 IonicContact CE1-OD2 2.72Å; H214-D218 PolarHBondContact CE1-OD2 3.35Å; H214-D218 IonicContact ND1-OD1 3.31Å; H214-D218 PolarHBondContact O-N 3.31Å; H214-D555 PolarHBondContact CD2-O 3.08Å; H214-D555 VanDerWaalsContact CD2-O 3.31Å
215E87.4Confident88.4Confident67 Ų6737.8 Ų37.831%0.31319%0.189SC..Hα-helixtrans-60.7-39.3-180-73.2-69.8169.300112C203 P204 T211 W219C203-E215 HydrophobicContact CB-CB 4.02Å; P204-E215 HydrophobicContact CB-CG 4.26Å; P204-E215 VanDerWaalsContact CD-OE2 3.29Å; P204-E215 WeakPolarHBondContact CD-OE2 3.4Å; P204-E215 HydrophobicContact CG-CG 4.16Å; T211-E215 HydrophobicContact CG2-CG 4.26Å; T211-E215 WeakPolarHBondContact O-CB 3.49Å; T211-E215 WeakPolarHBondContact O-CG 3.49Å; T211-E215 PolarHBondContact O-N 3.01Å; E215-W219 VanDerWaalsContact O-CB 3.24Å; E215-W219 WeakPolarHBondContact O-CB 3.16Å; E215-W219 PolarHBondContact O-N 2.91Å
216F96.4Very high88.3Confident0 Ų041.1 Ų41.10%021%0.213CC..Hα-helixtrans-65.8-42.8175.2176.7-113.2000112.9V151 W197 T212 H214 W219 R220 A233 L235 G262 I263V151-F216 HydrophobicContact CB-CE2 4.08Å; V151-F216 HydrophobicContact CB-CZ 4.44Å; V151-F216 HydrophobicContact CG1-CE2 4.46Å; V151-F216 HydrophobicContact CG2-CE2 3.96Å; V151-F216 HydrophobicContact CG2-CZ 4.16Å; W197-F216 HydrophobicContact CH2-CD2 4.41Å; T212-F216 VanDerWaalsContact O-CB 3.28Å; T212-F216 WeakPolarHBondContact O-CB 2.97Å; T212-F216 PolarHBondContact O-N 3.15Å; H214-F216 VanDerWaalsContact C-N 3.32Å; H214-F216 PolarHBondContact O-N 3.15Å; F216-W219 AromaticContact CD2-CE3 3.97Å; F216-W219 HydrophobicContact CD2-CE3 3.97Å; F216-W219 HydrophobicContact CD2-CZ3 4.3Å; F216-W219 AromaticContact CE2-CE3 3.9Å; F216-W219 HydrophobicContact CE2-CE3 3.9Å; F216-W219 AromaticContact CE2-CZ3 3.77Å; F216-W219 HydrophobicContact CE2-CZ3 3.77Å; F216-W219 PolarHBondContact O-N 3.48Å; F216-R220 WeakPolarHBondContact O-CB 3.08Å; F216-R220 PolarHBondContact O-N 3.01Å; F216-A233 HydrophobicContact CE1-CB 4.46Å; F216-A233 HydrophobicContact CZ-CB 4.08Å; F216-L235 HydrophobicContact CB-CD2 4.47Å; F216-L235 HydrophobicContact CD1-CB 3.99Å; F216-L235 HydrophobicContact CD2-CB 3.91Å; F216-L235 HydrophobicContact CD2-CD1 4.19Å; F216-L235 HydrophobicContact CD2-CD2 4.28Å; F216-L235 HydrophobicContact CD2-CG 4.35Å; F216-L235 HydrophobicContact CE1-CB 3.89Å; F216-L235 HydrophobicContact CE2-CB 3.82Å; F216-L235 HydrophobicContact CE2-CD1 4.14Å; F216-L235 HydrophobicContact CE2-CG 4.48Å; F216-L235 HydrophobicContact CG-CB 3.99Å; F216-L235 HydrophobicContact CG-CD2 4.34Å; F216-L235 HydrophobicContact CZ-CB 3.81Å; F216-G262 WeakPolarHBondContact CE1-O 3.45Å; F216-I263 HydrophobicContact CB-CG2 4.3Å; F216-I263 HydrophobicContact CD1-CG2 4.16Å; F216-I263 HydrophobicContact CG-CG2 4.46Å
217L93.4Very high88.3Confident9 Ų945.8 Ų45.85%0.04723%0.231CC..Hα-helixtrans-69.4-38.4178.7-73.3173.4000112.4L213 H214 R220 K221 P250L213-L217 HydrophobicContact CD1-CD1 3.71Å; L213-L217 HydrophobicContact CD1-CG 3.92Å; L213-L217 HydrophobicContact CG-CD1 3.96Å; L213-L217 WeakPolarHBondContact O-CB 3.49Å; L213-L217 VanDerWaalsContact O-CG 3.3Å; L213-L217 WeakPolarHBondContact O-CG 3.07Å; L213-L217 PolarHBondContact O-N 2.89Å; H214-L217 PolarHBondContact O-N 2.03Å; L217-R220 WeakPolarHBondContact O-CB 3.43Å; L217-R220 PolarHBondContact O-N 3.46Å; L217-K221 WeakPolarHBondContact O-CB 2.93Å; L217-K221 PolarHBondContact O-N 3.48Å; L217-P250 HydrophobicContact CD1-CG 3.73Å
218D90.7Very high88.4Confident66 Ų6642 Ų4235%0.35321%0.213SC..Hα-helixtrans-67.4-42.3174.2-92.921.8000111.1H214 R220 K221 V222H214-D218 IonicContact CE1-OD1 3.15Å; H214-D218 IonicContact CE1-OD2 2.72Å; H214-D218 PolarHBondContact CE1-OD2 3.35Å; H214-D218 IonicContact ND1-OD1 3.31Å; H214-D218 PolarHBondContact O-N 3.31Å; D218-R220 PolarHBondContact O-N 2.78Å; D218-K221 PolarHBondContact O-N 2.75Å; D218-V222 VanDerWaalsContact O-CG2 3.24Å; D218-V222 WeakPolarHBondContact O-CG2 3.14Å; D218-V222 PolarHBondContact O-N 3.06Å
219W95.9Very high88.9Confident20 Ų2044.7 Ų44.78%0.07623%0.233CC..Hα-helixtrans-58.6-45.7170.4172.690.4000112V151 E195 W197 K202 C203 E215 F216 K221 V222 K223 L224V151-W219 HydrophobicContact CG2-CH2 4.29Å; V151-W219 HydrophobicContact CG2-CZ3 4.15Å; E195-W219 WeakPolarHBondContact OE1-CH2 3.28Å; E195-W219 WeakPolarHBondContact OE1-CZ2 3.23Å; W197-W219 AromaticContact CZ2-CD2 3.97Å; W197-W219 HydrophobicContact CZ2-CD2 3.97Å; W197-W219 AromaticContact CZ2-CE2 3.85Å; W197-W219 HydrophobicContact CZ2-CE3 4.03Å; W197-W219 AromaticContact CZ2-CH2 3.93Å; W197-W219 HydrophobicContact CZ2-CH2 3.93Å; W197-W219 AromaticContact CZ2-CZ2 3.86Å; W197-W219 HydrophobicContact CZ2-CZ2 3.86Å; W197-W219 HydrophobicContact CZ2-CZ3 4.01Å; W197-W219 AromaticContact NE1-CZ2 3.93Å; K202-W219 HydrophobicContact CB-CZ2 4.42Å; K202-W219 VanDerWaalsContact CB-NE1 3.3Å; K202-W219 VanDerWaalsContact O-CD1 3.31Å; C203-W219 HydrophobicContact CB-CB 3.97Å; C203-W219 HydrophobicContact CB-CG 4.43Å; E215-W219 VanDerWaalsContact O-CB 3.24Å; E215-W219 WeakPolarHBondContact O-CB 3.16Å; E215-W219 PolarHBondContact O-N 2.91Å; F216-W219 AromaticContact CD2-CE3 3.97Å; F216-W219 HydrophobicContact CD2-CE3 3.97Å; F216-W219 HydrophobicContact CD2-CZ3 4.3Å; F216-W219 AromaticContact CE2-CE3 3.9Å; F216-W219 HydrophobicContact CE2-CE3 3.9Å; F216-W219 AromaticContact CE2-CZ3 3.77Å; F216-W219 HydrophobicContact CE2-CZ3 3.77Å; F216-W219 PolarHBondContact O-N 3.48Å; W219-K221 VanDerWaalsContact C-N 3.32Å; W219-K221 PolarHBondContact O-N 3.01Å; W219-V222 PolarHBondContact O-N 2.77Å; W219-K223 HydrophobicContact CG-CB 4.4Å; W219-K223 HydrophobicContact CG-CG 4.38Å; W219-K223 WeakPolarHBondContact O-CA 3.07Å; W219-K223 VanDerWaalsContact O-CB 3.29Å; W219-K223 WeakPolarHBondContact O-CB 3.34Å; W219-K223 PolarHBondContact O-N 3.25Å; W219-L224 HydrophobicContact CE3-CB 4.44Å; W219-L224 HydrophobicContact CH2-CB 3.93Å; W219-L224 HydrophobicContact CH2-CD1 4.12Å; W219-L224 HydrophobicContact CH2-CD2 4.04Å; W219-L224 HydrophobicContact CH2-CG 4.25Å; W219-L224 HydrophobicContact CZ2-CB 4.48Å; W219-L224 HydrophobicContact CZ3-CB 3.91Å; W219-L224 HydrophobicContact CZ3-CD2 3.8Å; W219-L224 HydrophobicContact CZ3-CG 4.34Å; W219-L224 PolarHBondContact O-N 2.89Å
220R96.7Very high89.5Confident4 Ų445.2 Ų45.22%0.01524%0.235CC..Iπ-helixtrans-55-49.3175.8177.7-159.8172.9-121.60.3110.5F216 L217 D218 L224 L225 H230 D231 A233 T256 V257 S260F216-R220 WeakPolarHBondContact O-CB 3.08Å; F216-R220 PolarHBondContact O-N 3.01Å; L217-R220 WeakPolarHBondContact O-CB 3.43Å; L217-R220 PolarHBondContact O-N 3.46Å; D218-R220 PolarHBondContact O-N 2.78Å; R220-L224 HydrophobicContact CG-CB 4.47Å; R220-L224 HydrophobicContact CG-CD2 4.4Å; R220-L224 PolarHBondContact O-N 2.85Å; R220-L224 VanDerWaalsContact O-N 3.16Å; R220-L225 HydrophobicContact CG-CG 4.37Å; R220-L225 PolarHBondContact O-N 2.83Å; R220-H230 PolarHBondContact NE-NE2 2.88Å; R220-H230 PolarHBondContact NH2-NE2 2.64Å; R220-D231 PolarHBondContact NH2-O 2.84Å; R220-A233 HydrophobicContact CG-CB 4.18Å; R220-T256 PolarHBondContact NH1-O 3Å; R220-V257 PolarHBondContact NH1-O 3.34Å; R220-V257 VanDerWaalsContact NH1-O 3.17Å; R220-S260 PolarHBondContact NE-O 3.21Å; R220-S260 PolarHBondContact NH1-O 3.07Å
221K92.9Very high90.4Very high69 Ų6945.3 Ų45.330%0.324%0.236SC..Iπ-helixtrans-61-45.8-179.4178.2-175.1-176.8-178.60112.8L217 D218 W219 V257 E258L217-K221 WeakPolarHBondContact O-CB 2.93Å; L217-K221 PolarHBondContact O-N 3.48Å; D218-K221 PolarHBondContact O-N 2.75Å; W219-K221 VanDerWaalsContact C-N 3.32Å; W219-K221 PolarHBondContact O-N 3.01Å; K221-V257 HydrophobicContact CG-CG1 4.28Å; K221-E258 HydrophobicContact CD-CG 4.21Å; K221-E258 WeakPolarHBondContact CE-OE1 3.39Å; K221-E258 IonicContact NZ-OE1 3.61Å; K221-E258 PolarHBondContact NZ-OE1 3.41Å
222V92.9Very high91.5Very high89 Ų8943.7 Ų43.754%0.53923%0.226SC..Iπ-helixtrans-97.2-15.8-170.3-52.90000114.5D218 W219D218-V222 VanDerWaalsContact O-CG2 3.24Å; D218-V222 WeakPolarHBondContact O-CG2 3.14Å; D218-V222 PolarHBondContact O-N 3.06Å; W219-V222 PolarHBondContact O-N 2.77Å
223K94.3Very high92.1Very high115 Ų11543.7 Ų43.750%0.523%0.226SC..Iπ-helixtrans-120.3-56.3-179.8-56.7-59.2-179.7-178.40112.9W219 Q227W219-K223 HydrophobicContact CG-CB 4.4Å; W219-K223 HydrophobicContact CG-CG 4.38Å; W219-K223 WeakPolarHBondContact O-CA 3.07Å; W219-K223 VanDerWaalsContact O-CB 3.29Å; W219-K223 WeakPolarHBondContact O-CB 3.34Å; W219-K223 PolarHBondContact O-N 3.25Å; K223-Q227 WeakPolarHBondContact O-CG 3.4Å; K223-Q227 PolarHBondContact O-NE2 3.09Å
224L94.4Very high92.6Very high7 Ų743.7 Ų43.74%0.03723%0.226CC..Iπ-helixtrans-74-54.1-169.6-172.961.9000112.5I149 W219 R220 Q227 K228 A233I149-L224 HydrophobicContact CB-CD2 4.43Å; I149-L224 HydrophobicContact CD1-CD1 4.13Å; I149-L224 HydrophobicContact CD1-CD2 4.05Å; I149-L224 HydrophobicContact CD1-CG 4.18Å; I149-L224 HydrophobicContact CG2-CD2 4.08Å; W219-L224 HydrophobicContact CE3-CB 4.44Å; W219-L224 HydrophobicContact CH2-CB 3.93Å; W219-L224 HydrophobicContact CH2-CD1 4.12Å; W219-L224 HydrophobicContact CH2-CD2 4.04Å; W219-L224 HydrophobicContact CH2-CG 4.25Å; W219-L224 HydrophobicContact CZ2-CB 4.48Å; W219-L224 HydrophobicContact CZ3-CB 3.91Å; W219-L224 HydrophobicContact CZ3-CD2 3.8Å; W219-L224 HydrophobicContact CZ3-CG 4.34Å; W219-L224 PolarHBondContact O-N 2.89Å; R220-L224 HydrophobicContact CG-CB 4.47Å; R220-L224 HydrophobicContact CG-CD2 4.4Å; R220-L224 PolarHBondContact O-N 2.85Å; R220-L224 VanDerWaalsContact O-N 3.16Å; L224-Q227 PolarHBondContact O-N 3.03Å; L224-K228 PolarHBondContact O-N 3.45Å; L224-A233 HydrophobicContact CD2-CB 4.07Å
225L92.3Very high93.4Very high39 Ų3941.6 Ų41.620%0.20422%0.217CC..Hα-helixtrans-55.3-43.5-177.4-89.8172.9000114R220 Q227 K228 H230 V257R220-L225 HydrophobicContact CG-CG 4.37Å; R220-L225 PolarHBondContact O-N 2.83Å; L225-Q227 VanDerWaalsContact C-N 3.26Å; L225-Q227 PolarHBondContact O-N 3.12Å; L225-K228 CarbonylContact O-C 3.56Å; L225-K228 PolarHBondContact O-N 3.15Å; L225-H230 VanDerWaalsContact CD2-CE1 3.43Å; L225-H230 WeakPolarHBondContact CD2-CE1 3.48Å; L225-V257 HydrophobicContact CD1-CG1 4.16Å; L225-V257 WeakPolarHBondContact CD1-O 3.46Å
226P92.3Very high93.9Very high98 Ų9838.4 Ų38.464%0.63620%0.202SC*.Hα-helixtrans-66.4-24.1176.4-23.835.1000114.7
227Q89.1Confident94Very high143 Ų14338.4 Ų38.467%0.66820%0.202SC*.Hα-helixtrans-89.2-34.2178.5-70.9177.88200112K223 L224 L225K223-Q227 WeakPolarHBondContact O-CG 3.4Å; K223-Q227 PolarHBondContact O-NE2 3.09Å; L224-Q227 PolarHBondContact O-N 3.03Å; L225-Q227 VanDerWaalsContact C-N 3.26Å; L225-Q227 PolarHBondContact O-N 3.12Å
228K86.1Confident94.1Very high29 Ų2938.3 Ų38.313%0.12620%0.203CC..SBendtrans-146.5111.4-172.8-167.6162.8-178.3171.30111.4T27 I149 V192 L224 L225 H230T27-K228 PolarHBondContact O-NZ 3.06Å; T27-K228 PolarHBondContact OG1-NZ 3.07Å; I149-K228 HydrophobicContact CD1-CB 4.31Å; I149-K228 HydrophobicContact CD1-CD 3.86Å; I149-K228 HydrophobicContact CD1-CG 3.99Å; V192-K228 WeakPolarHBondContact O-CE 3.04Å; V192-K228 PolarHBondContact O-NZ 2.85Å; L224-K228 PolarHBondContact O-N 3.45Å; L225-K228 CarbonylContact O-C 3.56Å; L225-K228 PolarHBondContact O-N 3.15Å; K228-H230 PolarHBondContact O-ND1 3Å
229P88.8Confident94.3Very high95 Ų9536.3 Ų36.362%0.61719%0.193SC*.  trans-56.7138.2169.6-23.634.7000111.2
230H91.5Very high94Very high12 Ų1242.5 Ų42.56%0.05622%0.217CC..  trans-169.6151.817660.8-82.5000109.7I149 V192 R220 L225 K228 N232I149-H230 HydrophobicContact CD1-CB 3.8Å; I149-H230 WeakPolarHBondContact CD1-ND1 3.2Å; I149-H230 HydrophobicContact CG1-CB 3.85Å; V192-H230 HydrophobicContact CG2-CB 3.78Å; R220-H230 PolarHBondContact NE-NE2 2.88Å; R220-H230 PolarHBondContact NH2-NE2 2.64Å; L225-H230 VanDerWaalsContact CD2-CE1 3.43Å; L225-H230 WeakPolarHBondContact CD2-CE1 3.48Å; K228-H230 PolarHBondContact O-ND1 3Å; H230-N232 PolarHBondContact CD2-O 2.84Å
231D94.1Very high93.5Very high12 Ų1243 Ų436%0.06422%0.219CC..SBendtrans-77.5-40.3-178.9-62.4-32.3000112.1V146 E147 R220 S260 C341 L342V146-D231 HydrophobicContact CG1-CB 4.41Å; E147-D231 HydrophobicContact CB-CB 4.28Å; E147-D231 WeakPolarHBondContact CB-OD2 3.47Å; E147-D231 PolarHBondContact N-OD2 3.1Å; E147-D231 PolarHBondContact O-N 2.85Å; R220-D231 PolarHBondContact NH2-O 2.84Å; D231-S260 VanDerWaalsContact O-CB 3.23Å; D231-S260 WeakPolarHBondContact O-CB 3.16Å; D231-S260 PolarHBondContact O-OG 2.96Å; D231-C341 VanDerWaalsContact OD1-CB 3.3Å; D231-C341 WeakPolarHBondContact OD1-CB 3.28Å; D231-C341 PolarHBondContact OD1-SG 2.89Å; D231-L342 HydrophobicContact CB-CD2 3.92Å; D231-L342 WeakPolarHBondContact OD2-CD2 3.32Å
232N97.4Very high92.8Very high0 Ų045 Ų450%023%0.23CC..EExtended strand (participates in β ladder)trans-147.4146.5-172.7-166.9-94.6000111.7V146 E147 L148 I149 H230 Q234 M254 S260 G261 L282 N285V146-N232 HydrophobicContact CG1-CB 4.14Å; E147-N232 PolarHBondContact O-N 2.82Å; L148-N232 WeakPolarHBondContact CA-O 3.03Å; L148-N232 HydrophobicContact CD1-CB 4.3Å; I149-N232 PolarHBondContact N-O 2.82Å; H230-N232 PolarHBondContact CD2-O 2.84Å; N232-Q234 PolarHBondContact OD1-NE2 2.85Å; N232-M254 HydrophobicContact CB-CE 4.22Å; N232-M254 HydrophobicContact CB-SD 4.09Å; N232-S260 WeakPolarHBondContact CA-O 3.43Å; N232-S260 PolarHBondContact ND2-O 3.45Å; N232-S260 PolarHBondContact ND2-OG 2.72Å; N232-G261 PolarHBondContact ND2-N 2.63Å; N232-L282 HydrophobicContact CB-CD1 4.22Å; N232-L282 VanDerWaalsContact OD1-CD1 3.25Å; N232-L282 WeakPolarHBondContact OD1-CD1 3.04Å; N232-N285 PolarHBondContact ND2-OD1 2.88Å
233A97.9Very high92Very high0 Ų044 Ų440%024%0.237CC..EExtended strand (participates in β ladder)trans-129.8137173.300000111.8I149 F216 R220 L224 S260 G261 G262I149-A233 HydrophobicContact CB-CB 4.35Å; I149-A233 CarbonylContact O-C 3.6Å; I149-A233 VanDerWaalsContact O-CA 3.29Å; I149-A233 WeakPolarHBondContact O-CA 3.44Å; F216-A233 HydrophobicContact CE1-CB 4.46Å; F216-A233 HydrophobicContact CZ-CB 4.08Å; R220-A233 HydrophobicContact CG-CB 4.18Å; L224-A233 HydrophobicContact CD2-CB 4.07Å; A233-S260 PolarHBondContact N-O 3.45Å; A233-G261 CarbonylContact O-C 3.57Å; A233-G261 WeakPolarHBondContact O-CA 3.47Å; A233-G262 PolarHBondContact O-N 2.58Å; A233-G262 VanDerWaalsContact O-N 3.15Å
234Q98.4Very high91.1Very high0 Ų041.7 Ų41.70%023%0.233CC..EExtended strand (participates in β ladder)trans-124129.5-178.5-63.3-71.3-26.900110L148 I149 I150 V151 N232 G262 L278 N285L148-Q234 HydrophobicContact CD1-CB 4.45Å; L148-Q234 HydrophobicContact CD1-CG 3.83Å; I149-Q234 PolarHBondContact O-N 2.92Å; I150-Q234 WeakPolarHBondContact CA-O 3Å; V151-Q234 PolarHBondContact N-O 2.04Å; N232-Q234 PolarHBondContact OD1-NE2 2.85Å; Q234-G262 WeakPolarHBondContact CA-O 3.41Å; Q234-G262 PolarHBondContact OE1-O 2.73Å; Q234-L278 HydrophobicContact CB-CD1 4.1Å; Q234-L278 HydrophobicContact CB-CG 4.06Å; Q234-L278 HydrophobicContact CG-CD1 4.33Å; Q234-L278 HydrophobicContact CG-CD2 3.87Å; Q234-L278 HydrophobicContact CG-CG 3.9Å; Q234-N285 PolarHBondContact NE2-OD1 3.41Å; Q234-N285 VanDerWaalsContact NE2-OD1 3.13Å
235L98.6Very high90.2Very high0 Ų041.4 Ų41.40%023%0.232CC..EExtended strand (participates in β ladder)trans-91.3122173.6-17872.3000110.2V151 D153 W197 I205 T212 F216 G262 I263 V264V151-L235 HydrophobicContact CB-CD1 3.98Å; V151-L235 HydrophobicContact CG1-CD1 3.86Å; V151-L235 CarbonylContact O-C 3.55Å; V151-L235 WeakPolarHBondContact O-CA 3.37Å; D153-L235 HydrophobicContact CB-CD1 4.34Å; W197-L235 HydrophobicContact CH2-CD1 4.38Å; W197-L235 HydrophobicContact CZ3-CD1 4.38Å; I205-L235 HydrophobicContact CD1-CD2 3.61Å; T212-L235 HydrophobicContact CG2-CD2 4.22Å; F216-L235 HydrophobicContact CB-CD2 4.47Å; F216-L235 HydrophobicContact CD1-CB 3.99Å; F216-L235 HydrophobicContact CD2-CB 3.91Å; F216-L235 HydrophobicContact CD2-CD1 4.19Å; F216-L235 HydrophobicContact CD2-CD2 4.28Å; F216-L235 HydrophobicContact CD2-CG 4.35Å; F216-L235 HydrophobicContact CE1-CB 3.89Å; F216-L235 HydrophobicContact CE2-CB 3.82Å; F216-L235 HydrophobicContact CE2-CD1 4.14Å; F216-L235 HydrophobicContact CE2-CG 4.48Å; F216-L235 HydrophobicContact CG-CB 3.99Å; F216-L235 HydrophobicContact CG-CD2 4.34Å; F216-L235 HydrophobicContact CZ-CB 3.81Å; L235-G262 PolarHBondContact N-O 2.76Å; L235-I263 HydrophobicContact CB-CB 4.5Å; L235-I263 HydrophobicContact CB-CG2 4.06Å; L235-I263 HydrophobicContact CD2-CG2 4.07Å; L235-I263 CarbonylContact O-C 3.54Å; L235-V264 PolarHBondContact O-N 3.17Å
236I98.4Very high90Very high0 Ų040 Ų400%023%0.225CC..EExtended strand (participates in β ladder)trans-90.8121162.9-53.4-51.5000108I150 V151 A152 D153 E156 L171 I174 V264 D266 L278I150-I236 HydrophobicContact CG2-CD1 4.31Å; I150-I236 HydrophobicContact CG2-CG1 3.58Å; V151-I236 PolarHBondContact O-N 3.4Å; A152-I236 WeakPolarHBondContact CA-O 3.01Å; D153-I236 PolarHBondContact N-O 3.19Å; E156-I236 HydrophobicContact CG-CG2 4.26Å; L171-I236 HydrophobicContact CD2-CB 3.89Å; L171-I236 HydrophobicContact CD2-CG1 3.63Å; L171-I236 HydrophobicContact CD2-CG2 4.27Å; I174-I236 HydrophobicContact CD1-CD1 4.49Å; I174-I236 HydrophobicContact CD1-CG1 4.4Å; I236-V264 CarbonylContact C-O 3.56Å; I236-V264 WeakPolarHBondContact CA-O 3.36Å; I236-V264 HydrophobicContact CD1-CB 3.73Å; I236-V264 HydrophobicContact CD1-CG1 3.87Å; I236-V264 HydrophobicContact CD1-CG2 4.3Å; I236-D266 HydrophobicContact CG2-CB 3.92Å; I236-L278 HydrophobicContact CD1-CD1 4.24Å
237S97.6Very high89.8Confident0 Ų035.4 Ų35.40%019%0.194CC..EExtended strand (participates in β ladder)trans-116.4134.3-177.8179.60000112.1D153 V239 V264 D266D153-S237 WeakPolarHBondContact OD2-CA 3.25Å; D153-S237 VanDerWaalsContact OD2-CB 3.28Å; D153-S237 WeakPolarHBondContact OD2-CB 3.32Å; D153-S237 PolarHBondContact OD2-OG 3.04Å; S237-V239 WeakPolarHBondContact OG-CB 3.42Å; S237-V239 PolarHBondContact OG-N 3.31Å; S237-V264 PolarHBondContact N-O 3.33Å; S237-D266 PolarHBondContact O-N 3.42Å
238G95.8Very high89.6Confident6 Ų629.1 Ų29.16%0.06217%0.165CC..  trans-81.42168.300000113.6D153 R155D153-G238 PolarHBondContact OD1-N 3.5Å; R155-G238 VanDerWaalsContact CG-O 3.24Å; R155-G238 WeakPolarHBondContact CG-O 3.49Å
239V94.1Very high89.6Confident25 Ų2528.2 Ų28.215%0.15216%0.163CC..SBendtrans-84.1133.7177.3178.30000110.1R155 I205 Q207 S237 F241 M265R155-V239 HydrophobicContact CB-CG2 3.84Å; R155-V239 HydrophobicContact CG-CG2 3.84Å; I205-V239 HydrophobicContact CG2-CB 4.11Å; I205-V239 HydrophobicContact CG2-CG2 3.69Å; Q207-V239 HydrophobicContact CG-CG1 4.19Å; S237-V239 WeakPolarHBondContact OG-CB 3.42Å; S237-V239 PolarHBondContact OG-N 3.31Å; V239-F241 PolarHBondContact O-N 2.69Å; V239-M265 WeakPolarHBondContact O-CG 3.04Å
240Y91.1Very high89.2Confident150 Ų15024.3 Ų24.359%0.58814%0.137SC*.PPolyproline II helixtrans-79.5116.2173.2-69.5-89.5000110.5Q207 M265Q207-Y240 WeakPolarHBondContact CG-O 3.29Å; Y240-M265 VanDerWaalsContact CA-SD 3.6Å; Y240-M265 HydrophobicContact CD1-CE 4.3Å; Y240-M265 HydrophobicContact CD1-SD 3.97Å; Y240-M265 HydrophobicContact CG-SD 4.44Å
241F86Confident88.6Confident13 Ų1326.2 Ų26.26%0.05715%0.148CC..PPolyproline II helixtrans-74.3157.6175.8-59.5-48.5000112.3Q207 P209 T212 V239 I263 M265Q207-F241 CarbonylContact O-C 3.42Å; Q207-F241 VanDerWaalsContact O-CA 3.27Å; Q207-F241 WeakPolarHBondContact O-CA 3.49Å; P209-F241 HydrophobicContact CB-CB 4.17Å; P209-F241 HydrophobicContact CB-CD1 4Å; P209-F241 HydrophobicContact CB-CD2 4.15Å; P209-F241 HydrophobicContact CB-CE1 4.5Å; P209-F241 HydrophobicContact CB-CG 3.85Å; P209-F241 HydrophobicContact CG-CB 4.28Å; P209-F241 HydrophobicContact CG-CG 4.49Å; T212-F241 HydrophobicContact CG2-CE1 4.07Å; T212-F241 HydrophobicContact CG2-CZ 4.33Å; V239-F241 PolarHBondContact O-N 2.69Å; F241-I263 HydrophobicContact CE1-CD1 4.23Å; F241-I263 HydrophobicContact CE2-CD1 3.97Å; F241-I263 HydrophobicContact CE2-CG1 4.44Å; F241-I263 HydrophobicContact CZ-CD1 3.71Å; F241-I263 HydrophobicContact CZ-CG1 4.43Å; F241-M265 HydrophobicContact CD2-CB 3.81Å; F241-M265 HydrophobicContact CD2-CG 4.45Å; F241-M265 HydrophobicContact CD2-SD 4.37Å; F241-M265 HydrophobicContact CE2-CB 3.83Å; F241-M265 PolarHBondContact N-SD 2.87Å
242Q77.6Confident88Confident112 Ų11227.7 Ų27.752%0.52316%0.155SC..SBendtrans-74.5144.5-178.1-67-175.32.900113Q207 T245Q207-Q242 HydrophobicContact CB-CG 3.73Å; Q207-Q242 WeakPolarHBondContact O-CG 3.34Å; Q207-Q242 PolarHBondContact O-N 2.04Å; Q242-T245 PolarHBondContact O-OG1 3.23Å; Q242-T245 VanDerWaalsContact O-OG1 3.1Å
243G76.8Confident87.4Confident67 Ų6727.8 Ų27.869%0.69116%0.155SC*.THydrogen-bonded Turntrans77-137.1-178.900000111.9
244T75.4Confident87.1Confident67 Ų6728 Ų2841%0.41116%0.156SC..THydrogen-bonded Turntrans-96.42.3175.449.90000112.9G107 A108 I246G107-T244 CarbonylContact C-O 3.09Å; G107-T244 WeakPolarHBondContact CA-O 3.42Å; A108-T244 PolarHBondContact N-O 3.34Å; T244-I246 PolarHBondContact O-N 2.87Å
245T75.9Confident86.7Confident2 Ų229.6 Ų29.61%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-65.4124.4-171.5-40.90000111.5A108 G110 P209 Q242 M248A108-T245 CarbonylContact O-C 3.54Å; A108-T245 VanDerWaalsContact O-CA 3.23Å; A108-T245 WeakPolarHBondContact O-CA 3.49Å; G110-T245 PolarHBondContact O-OG1 2.85Å; P209-T245 HydrophobicContact CB-CG2 3.9Å; P209-T245 HydrophobicContact CG-CG2 3.68Å; Q242-T245 PolarHBondContact O-OG1 3.23Å; Q242-T245 VanDerWaalsContact O-OG1 3.1Å; T245-M248 HydrophobicContact CG2-CE 4.04Å
246I86.6Confident86.1Confident10 Ų1031 Ų315%0.05118%0.176CC..EExtended strand (participates in β ladder)trans-117.2-13.6176.167.8173.5000113.5A108 T244 M265 T277A108-I246 PolarHBondContact O-N 2.03Å; T244-I246 PolarHBondContact O-N 2.87Å; I246-M265 HydrophobicContact CB-CE 4.21Å; I246-M265 HydrophobicContact CG2-CE 3.65Å; I246-M265 VanDerWaalsContact O-CB 3.28Å; I246-M265 WeakPolarHBondContact O-CB 3.34Å; I246-M265 PolarHBondContact O-N 3.03Å; I246-T277 HydrophobicContact CD1-CG2 4.32Å; I246-T277 WeakPolarHBondContact CD1-OG1 3.43Å; I246-T277 HydrophobicContact CG1-CG2 4Å; I246-T277 WeakPolarHBondContact O-CG2 3.42Å
247G87.6Confident85.4Confident0 Ų034.7 Ų34.70%020%0.198CC..EExtended strand (participates in β ladder)trans-162.8161.5-178.900000111.5G110 I263 E281G110-G247 PolarHBondContact N-O 3.5Å; G110-G247 VanDerWaalsContact N-O 3.11Å; G247-I263 CarbonylContact C-O 3.57Å; G247-I263 VanDerWaalsContact CA-O 3.25Å; G247-I263 WeakPolarHBondContact CA-O 3.37Å; G247-E281 VanDerWaalsContact C-CD 3.42Å; G247-E281 WeakPolarHBondContact CA-OE1 3.46Å
248M85.6Confident84.7Confident12 Ų1237.7 Ų37.76%0.05921%0.212CC..EExtended strand (participates in β ladder)trans-161.8137175.5-159.9178.6-71.500113.8P209 F210 L213 T245 G262 I263 E281 M556P209-M248 HydrophobicContact CB-CE 3.61Å; P209-M248 HydrophobicContact CB-SD 4.49Å; P209-M248 HydrophobicContact CG-CE 3.62Å; F210-M248 HydrophobicContact CD1-CE 3.27Å; F210-M248 HydrophobicContact CD1-SD 3.18Å; F210-M248 WeakPolarHBondContact CD1-SD 2.92Å; F210-M248 HydrophobicContact CE1-CE 2.98Å; F210-M248 HydrophobicContact CE1-SD 3.42Å; F210-M248 WeakPolarHBondContact CE1-SD 3.25Å; F210-M248 HydrophobicContact CE2-CE 4.35Å; F210-M248 HydrophobicContact CG-CE 4.04Å; F210-M248 HydrophobicContact CG-SD 4.14Å; F210-M248 HydrophobicContact CZ-CE 3.61Å; L213-M248 HydrophobicContact CD2-CB 3.9Å; L213-M248 HydrophobicContact CD2-CG 3.55Å; L213-M248 HydrophobicContact CD2-SD 3.8Å; T245-M248 HydrophobicContact CG2-CE 4.04Å; M248-G262 CarbonylContact O-C 3.48Å; M248-G262 VanDerWaalsContact O-CA 3.26Å; M248-G262 WeakPolarHBondContact O-CA 3.41Å; M248-I263 HydrophobicContact CB-CD1 4.27Å; M248-I263 HydrophobicContact CB-CG1 3.86Å; M248-I263 PolarHBondContact N-O 3.03Å; M248-I263 PolarHBondContact O-N 3.16Å; M248-E281 VanDerWaalsContact CA-CD 3.49Å; M248-E281 WeakPolarHBondContact CA-OE2 3.39Å; M248-E281 PolarHBondContact N-OE1 2.83Å; M248-E281 PolarHBondContact N-OE2 3.01Å; M248-M556 HydrophobicContact SD-SD 3.97Å
249A86.8Confident84.2Confident10 Ų1039.9 Ų39.98%0.08322%0.221CC..  trans-148.7152.8172.300000112.8E281 H284A249-E281 HydrophobicContact CB-CB 3.7Å; A249-E281 HydrophobicContact CB-CG 4.46Å; A249-E281 WeakPolarHBondContact CB-O 3.5Å; A249-E281 PolarHBondContact N-OE2 3.02Å; A249-H284 HydrophobicContact CB-CB 4.12Å
250P80.5Confident84.2Confident12 Ų1238.7 Ų38.78%0.07821%0.213CC..  trans-69.6145.4170.8-16.232.4000111.9L217 S253 Q259 G261 H284 N285 M556L217-P250 HydrophobicContact CD1-CG 3.73Å; P250-S253 PolarHBondContact O-OG 3.13Å; P250-S253 VanDerWaalsContact O-OG 3.09Å; P250-Q259 HydrophobicContact CB-CB 4.14Å; P250-Q259 HydrophobicContact CG-CB 4.05Å; P250-Q259 HydrophobicContact CG-CG 4.43Å; P250-G261 WeakPolarHBondContact CD-O 3.19Å; P250-H284 CarbonylContact O-C 3.58Å; P250-N285 WeakPolarHBondContact O-CA 3.23Å; P250-N285 PolarHBondContact O-N 3.22Å; P250-N285 PolarHBondContact O-ND2 2.84Å; P250-N285 VanDerWaalsContact O-ND2 3.07Å; P250-M556 HydrophobicContact CG-CE 4.13Å
251I79Confident84.4Confident52 Ų5231.5 Ų31.527%0.26719%0.185SC..THydrogen-bonded Turntrans-86.2139.2-178.4-61.3177.4000111S253 H284I251-S253 PolarHBondContact O-N 2.79Å; I251-H284 CarbonylContact C-O 3.4Å; I251-H284 WeakPolarHBondContact CA-O 3.47Å; I251-H284 HydrophobicContact CG1-CB 3.98Å
252M80.4Confident84.8Confident44 Ų4430.9 Ų30.922%0.21718%0.183CC..THydrogen-bonded Turntrans60.623.3-179.6-69.3179.2-17500114.8H284 N285 G287 V338M252-H284 PolarHBondContact N-O 3Å; M252-N285 CarbonylContact C-O 3.56Å; M252-N285 WeakPolarHBondContact CA-O 3.46Å; M252-G287 VanDerWaalsContact CG-CA 3.42Å; M252-V338 HydrophobicContact CB-CG2 4.04Å; M252-V338 HydrophobicContact CG-CG2 4.27Å
253S85.3Confident85.7Confident2 Ų225.6 Ų25.61%0.01416%0.158CC..  trans-94.80.3-174.865.90000115.7P250 I251 C255 T256 Q259 S260 N285P250-S253 PolarHBondContact O-OG 3.13Å; P250-S253 VanDerWaalsContact O-OG 3.09Å; I251-S253 PolarHBondContact O-N 2.79Å; S253-C255 PolarHBondContact O-N 2.81Å; S253-T256 VanDerWaalsContact O-CB 3.29Å; S253-T256 WeakPolarHBondContact O-CB 3.09Å; S253-T256 VanDerWaalsContact O-CG2 3.3Å; S253-T256 WeakPolarHBondContact O-CG2 3.36Å; S253-T256 PolarHBondContact O-N 2.65Å; S253-T256 PolarHBondContact O-OG1 3.05Å; S253-Q259 WeakPolarHBondContact CB-O 3.46Å; S253-Q259 PolarHBondContact OG-O 3.15Å; S253-S260 WeakPolarHBondContact O-CA 3.27Å; S253-S260 WeakPolarHBondContact O-CB 3.34Å; S253-S260 PolarHBondContact O-N 2.86Å; S253-N285 PolarHBondContact N-O 3.03Å; S253-N285 VanDerWaalsContact N-O 3.11Å; S253-N285 PolarHBondContact OG-ND2 3.4Å
254M91.3Very high86.6Confident4 Ų422.4 Ų22.42%0.0213%0.125CC..THydrogen-bonded Turntrans-53.8138.4178.3-177.459.373.400112V146 N232 T256 S260 L282 N285 F286 V338 L342V146-M254 HydrophobicContact CG1-CE 4.34Å; N232-M254 HydrophobicContact CB-CE 4.22Å; N232-M254 HydrophobicContact CB-SD 4.09Å; M254-T256 PolarHBondContact O-N 3.4Å; M254-S260 WeakPolarHBondContact CA-OG 3.22Å; M254-L282 HydrophobicContact CE-CD1 3.59Å; M254-L282 HydrophobicContact CE-CG 4.28Å; M254-N285 HydrophobicContact CB-CB 4.33Å; M254-N285 VanDerWaalsContact CB-O 3.27Å; M254-N285 WeakPolarHBondContact CB-O 3.32Å; M254-N285 HydrophobicContact CE-CB 4.08Å; M254-N285 PolarHBondContact N-O 3.06Å; M254-F286 HydrophobicContact CE-CD1 4.48Å; M254-F286 HydrophobicContact CE-CD2 4.03Å; M254-F286 HydrophobicContact CE-CE1 4.21Å; M254-F286 HydrophobicContact CE-CE2 3.72Å; M254-F286 HydrophobicContact CE-CG 4.39Å; M254-F286 HydrophobicContact CE-CZ 3.81Å; M254-F286 HydrophobicContact CG-CD1 4.46Å; M254-F286 HydrophobicContact CG-CE1 4.27Å; M254-V338 HydrophobicContact CB-CG1 3.87Å; M254-L342 HydrophobicContact CG-CD1 3.84Å; M254-L342 HydrophobicContact CG-CD2 4.24Å; M254-L342 HydrophobicContact CG-CG 4.35Å; M254-L342 HydrophobicContact SD-CD1 4.47Å; M254-L342 HydrophobicContact SD-CD2 4.03Å
255C90.1Very high87.5Confident33 Ų3320 Ų2022%0.22311%0.11CC..THydrogen-bonded Turntrans66.1-4.5-170.8-51.40000116.8S253 S260 G339 C341S253-C255 PolarHBondContact O-N 2.81Å; C255-S260 PolarHBondContact N-OG 3.49Å; C255-G339 WeakPolarHBondContact SG-CA 3.4Å; C255-C341 WeakPolarHBondContact CA-SG 3.38Å; C255-C341 HydrophobicContact CB-CB 3.77Å; C255-C341 WeakPolarHBondContact CB-SG 3.32Å; C255-C341 WeakPolarHBondContact SG-CB 3.37Å; C255-C341 PolarHBondContact SG-N 3.27Å; C255-C341 CovalentContact SG-SG 2.02Å; C255-C341 PolarHBondContact SG-SG 3.2Å
256T86.3Confident88.4Confident30 Ų3020.1 Ų20.118%0.18411%0.11CC..  trans-73.9140.7177.568.30000111.6R220 S253 M254 E258 Q259 S260R220-T256 PolarHBondContact NH1-O 3Å; S253-T256 VanDerWaalsContact O-CB 3.29Å; S253-T256 WeakPolarHBondContact O-CB 3.09Å; S253-T256 VanDerWaalsContact O-CG2 3.3Å; S253-T256 WeakPolarHBondContact O-CG2 3.36Å; S253-T256 PolarHBondContact O-N 2.65Å; S253-T256 PolarHBondContact O-OG1 3.05Å; M254-T256 PolarHBondContact O-N 3.4Å; T256-E258 VanDerWaalsContact C-N 3.26Å; T256-E258 PolarHBondContact O-N 2.85Å; T256-Q259 WeakPolarHBondContact OG1-CA 3.3Å; T256-Q259 WeakPolarHBondContact OG1-CB 3.04Å; T256-Q259 PolarHBondContact OG1-N 2.83Å; T256-Q259 VanDerWaalsContact OG1-N 3.1Å; T256-S260 WeakPolarHBondContact O-CB 3.47Å; T256-S260 PolarHBondContact O-N 3.33Å; T256-S260 PolarHBondContact OG1-N 3.12Å; T256-S260 VanDerWaalsContact OG1-N 3.13Å
257V84.6Confident88.5Confident78 Ų7820.8 Ų20.847%0.47311%0.113SC..THydrogen-bonded Turntrans-60.6-37.2175.3174.90000111.4R220 K221 L225R220-V257 PolarHBondContact NH1-O 3.34Å; R220-V257 VanDerWaalsContact NH1-O 3.17Å; K221-V257 HydrophobicContact CG-CG1 4.28Å; L225-V257 HydrophobicContact CD1-CG1 4.16Å; L225-V257 WeakPolarHBondContact CD1-O 3.46Å
258E82Confident88.6Confident62 Ų6221.3 Ų21.329%0.2912%0.116SC..THydrogen-bonded Turntrans-93-29.4-170.4-51.5-166.3132.700114.1K221 T256K221-E258 HydrophobicContact CD-CG 4.21Å; K221-E258 WeakPolarHBondContact CE-OE1 3.39Å; K221-E258 IonicContact NZ-OE1 3.61Å; K221-E258 PolarHBondContact NZ-OE1 3.41Å; T256-E258 VanDerWaalsContact C-N 3.26Å; T256-E258 PolarHBondContact O-N 2.85Å
259Q85.8Confident88.5Confident52 Ų5227.5 Ų27.524%0.24315%0.145CC..THydrogen-bonded Turntrans-133.51-163.8-68.7-176.7-7.100115.1P250 S253 T256 G261P250-Q259 HydrophobicContact CB-CB 4.14Å; P250-Q259 HydrophobicContact CG-CB 4.05Å; P250-Q259 HydrophobicContact CG-CG 4.43Å; S253-Q259 WeakPolarHBondContact CB-O 3.46Å; S253-Q259 PolarHBondContact OG-O 3.15Å; T256-Q259 WeakPolarHBondContact OG1-CA 3.3Å; T256-Q259 WeakPolarHBondContact OG1-CB 3.04Å; T256-Q259 PolarHBondContact OG1-N 2.83Å; T256-Q259 VanDerWaalsContact OG1-N 3.1Å; Q259-G261 VanDerWaalsContact C-N 3.3Å; Q259-G261 PolarHBondContact O-N 2.8Å
260S93.4Very high88.4Confident0 Ų027.4 Ų27.40%014%0.143CC..  trans-75.681178.4-166.70000111.6R220 D231 N232 A233 S253 M254 C255 T256R220-S260 PolarHBondContact NE-O 3.21Å; R220-S260 PolarHBondContact NH1-O 3.07Å; D231-S260 VanDerWaalsContact O-CB 3.23Å; D231-S260 WeakPolarHBondContact O-CB 3.16Å; D231-S260 PolarHBondContact O-OG 2.96Å; N232-S260 WeakPolarHBondContact CA-O 3.43Å; N232-S260 PolarHBondContact ND2-O 3.45Å; N232-S260 PolarHBondContact ND2-OG 2.72Å; A233-S260 PolarHBondContact N-O 3.45Å; S253-S260 WeakPolarHBondContact O-CA 3.27Å; S253-S260 WeakPolarHBondContact O-CB 3.34Å; S253-S260 PolarHBondContact O-N 2.86Å; M254-S260 WeakPolarHBondContact CA-OG 3.22Å; C255-S260 PolarHBondContact N-OG 3.49Å; T256-S260 WeakPolarHBondContact O-CB 3.47Å; T256-S260 PolarHBondContact O-N 3.33Å; T256-S260 PolarHBondContact OG1-N 3.12Å; T256-S260 VanDerWaalsContact OG1-N 3.13Å
261G94.9Very high88.7Confident0 Ų027.4 Ų27.40%014%0.143CC..EExtended strand (participates in β ladder)trans177.3-174.2175.800000113.4N232 A233 P250 Q259 N285N232-G261 PolarHBondContact ND2-N 2.63Å; A233-G261 CarbonylContact O-C 3.57Å; A233-G261 WeakPolarHBondContact O-CA 3.47Å; P250-G261 WeakPolarHBondContact CD-O 3.19Å; Q259-G261 VanDerWaalsContact C-N 3.3Å; Q259-G261 PolarHBondContact O-N 2.8Å; G261-N285 PolarHBondContact O-ND2 2.94Å; G261-N285 PolarHBondContact O-OD1 2.84Å
262G95.1Very high89.1Confident0 Ų025 Ų250%013%0.131CC..EExtended strand (participates in β ladder)trans-164174-178.600000112.8F216 A233 Q234 L235 M248F216-G262 WeakPolarHBondContact CE1-O 3.45Å; A233-G262 PolarHBondContact O-N 2.58Å; A233-G262 VanDerWaalsContact O-N 3.15Å; Q234-G262 WeakPolarHBondContact CA-O 3.41Å; Q234-G262 PolarHBondContact OE1-O 2.73Å; L235-G262 PolarHBondContact N-O 2.76Å; M248-G262 CarbonylContact O-C 3.48Å; M248-G262 VanDerWaalsContact O-CA 3.26Å; M248-G262 WeakPolarHBondContact O-CA 3.41Å
263I96.1Very high89.5Confident0 Ų022.9 Ų22.90%012%0.121CC..EExtended strand (participates in β ladder)trans-122.5145.9173.263.8168.5000110P209 T212 L213 F216 L235 F241 G247 M248P209-I263 HydrophobicContact CB-CD1 3.86Å; P209-I263 WeakPolarHBondContact O-CD1 3.34Å; T212-I263 HydrophobicContact CG2-CD1 4.19Å; T212-I263 HydrophobicContact CG2-CG2 4.39Å; L213-I263 HydrophobicContact CB-CD1 3.9Å; L213-I263 HydrophobicContact CB-CG1 4.08Å; L213-I263 HydrophobicContact CB-CG2 4.1Å; L213-I263 HydrophobicContact CD1-CG1 4.43Å; L213-I263 HydrophobicContact CD1-CG2 3.9Å; F216-I263 HydrophobicContact CB-CG2 4.3Å; F216-I263 HydrophobicContact CD1-CG2 4.16Å; F216-I263 HydrophobicContact CG-CG2 4.46Å; L235-I263 HydrophobicContact CB-CB 4.5Å; L235-I263 HydrophobicContact CB-CG2 4.06Å; L235-I263 HydrophobicContact CD2-CG2 4.07Å; L235-I263 CarbonylContact O-C 3.54Å; F241-I263 HydrophobicContact CE1-CD1 4.23Å; F241-I263 HydrophobicContact CE2-CD1 3.97Å; F241-I263 HydrophobicContact CE2-CG1 4.44Å; F241-I263 HydrophobicContact CZ-CD1 3.71Å; F241-I263 HydrophobicContact CZ-CG1 4.43Å; G247-I263 CarbonylContact C-O 3.57Å; G247-I263 VanDerWaalsContact CA-O 3.25Å; G247-I263 WeakPolarHBondContact CA-O 3.37Å; M248-I263 HydrophobicContact CB-CD1 4.27Å; M248-I263 HydrophobicContact CB-CG1 3.86Å; M248-I263 PolarHBondContact N-O 3.03Å; M248-I263 PolarHBondContact O-N 3.16Å
264V96.5Very high89.8Confident0 Ų022.8 Ų22.80%012%0.12CC..EExtended strand (participates in β ladder)trans-139.8124.3-175.31750000108.6L235 I236 S237 A274 T277 L278 E281L235-V264 PolarHBondContact O-N 3.17Å; I236-V264 CarbonylContact C-O 3.56Å; I236-V264 WeakPolarHBondContact CA-O 3.36Å; I236-V264 HydrophobicContact CD1-CB 3.73Å; I236-V264 HydrophobicContact CD1-CG1 3.87Å; I236-V264 HydrophobicContact CD1-CG2 4.3Å; S237-V264 PolarHBondContact N-O 3.33Å; V264-A274 HydrophobicContact CG1-CB 4.26Å; V264-T277 HydrophobicContact CB-CG2 4.39Å; V264-T277 HydrophobicContact CG1-CG2 3.8Å; V264-T277 HydrophobicContact CG2-CG2 4.24Å; V264-L278 HydrophobicContact CG2-CB 3.99Å; V264-L278 HydrophobicContact CG2-CG 4.39Å; V264-E281 HydrophobicContact CG2-CG 4.31Å
265M93.9Very high89.9Confident18 Ų1822.6 Ų22.69%0.08912%0.119CC..EExtended strand (participates in β ladder)trans-78.4129.2170.9-173.9172.682.200109.5V239 Y240 F241 I246 H267V239-M265 WeakPolarHBondContact O-CG 3.04Å; Y240-M265 VanDerWaalsContact CA-SD 3.6Å; Y240-M265 HydrophobicContact CD1-CE 4.3Å; Y240-M265 HydrophobicContact CD1-SD 3.97Å; Y240-M265 HydrophobicContact CG-SD 4.44Å; F241-M265 HydrophobicContact CD2-CB 3.81Å; F241-M265 HydrophobicContact CD2-CG 4.45Å; F241-M265 HydrophobicContact CD2-SD 4.37Å; F241-M265 HydrophobicContact CE2-CB 3.83Å; F241-M265 PolarHBondContact N-SD 2.87Å; I246-M265 HydrophobicContact CB-CE 4.21Å; I246-M265 HydrophobicContact CG2-CE 3.65Å; I246-M265 VanDerWaalsContact O-CB 3.28Å; I246-M265 WeakPolarHBondContact O-CB 3.34Å; I246-M265 PolarHBondContact O-N 3.03Å; M265-H267 VanDerWaalsContact C-N 3.27Å; M265-H267 HydrophobicContact CE-CB 3.54Å; M265-H267 HydrophobicContact CG-CB 4.46Å; M265-H267 PolarHBondContact O-CD2 2.88Å; M265-H267 VanDerWaalsContact O-CD2 3.24Å; M265-H267 PolarHBondContact O-N 2.87Å
266D94.3Very high90Very high3 Ų321 Ų212%0.01611%0.108CC..  trans-78.278.2173.5-169.234.2000111.2K159 R170 I236 S237 S268 A274K159-D266 VanDerWaalsContact NZ-CG 3.28Å; K159-D266 PolarHBondContact NZ-O 3.08Å; K159-D266 IonicContact NZ-OD2 2.67Å; K159-D266 PolarHBondContact NZ-OD2 2.77Å; R170-D266 IonicContact CZ-OD1 2.89Å; R170-D266 IonicContact CZ-OD2 3.25Å; R170-D266 IonicContact NE-OD1 3.91Å; R170-D266 IonicContact NE-OD2 2.64Å; R170-D266 PolarHBondContact NE-OD2 2.93Å; R170-D266 IonicContact NH2-OD1 2.77Å; R170-D266 PolarHBondContact NH2-OD1 3.18Å; R170-D266 IonicContact NH2-OD2 3.82Å; R170-D266 PolarHBondContact NH2-OD2 3.49Å; I236-D266 HydrophobicContact CG2-CB 3.92Å; S237-D266 PolarHBondContact O-N 3.42Å; D266-S268 PolarHBondContact O-N 2.85Å; D266-A274 WeakPolarHBondContact OD1-CB 3.4Å
267H89.3Confident90.3Very high24 Ų2419.7 Ų19.711%0.11110%0.1CC..  trans-84.8-3.6-16862.977.2000115.8M265 G273 T277 F318M265-H267 VanDerWaalsContact C-N 3.27Å; M265-H267 HydrophobicContact CE-CB 3.54Å; M265-H267 HydrophobicContact CG-CB 4.46Å; M265-H267 PolarHBondContact O-CD2 2.88Å; M265-H267 VanDerWaalsContact O-CD2 3.24Å; M265-H267 PolarHBondContact O-N 2.87Å; H267-G273 PolarHBondContact CE1-O 3.36Å; H267-G273 PolarHBondContact NE2-O 3.19Å; H267-T277 PolarHBondContact NE2-OG1 2.9Å; H267-F318 AromaticContact CE1-CE1 3.76Å; H267-F318 AromaticContact CE1-CZ 3.96Å
268S88.4Confident90.9Very high11 Ų1116 Ų168%0.0778%0.078CC..  trans-137.4147.8-177.1-168.30000111.3R170 D266 N270R170-S268 PolarHBondContact NH2-O 2.91Å; D266-S268 PolarHBondContact O-N 2.85Å; S268-N270 PolarHBondContact O-N 3.41Å; S268-N270 PolarHBondContact OG-N 2.82Å
269E84.3Confident91.5Very high143 Ų14313 Ų1367%0.6686%0.064SC*.SBendtrans-64.7-30.2169.5-65.8-54.9127.300111.6R170R170-E269 PolarHBondContact NH1-O 3.27Å; R170-E269 PolarHBondContact NH2-O 3.43Å
270N84.1Confident91.9Very high8 Ų810.7 Ų10.74%0.0435%0.053CC..SBendtrans-78.2122.4175.8-170.6-39000110.4I82 S268 L272 G273I82-N270 WeakPolarHBondContact CG2-ND2 3.33Å; S268-N270 PolarHBondContact O-N 3.41Å; S268-N270 PolarHBondContact OG-N 2.82Å; N270-L272 PolarHBondContact O-N 2.77Å; N270-L272 WeakPolarHBondContact OD1-CB 3.49Å; N270-L272 PolarHBondContact OD1-N 2.78Å; N270-G273 PolarHBondContact O-N 2.87Å
271P88.2Confident91.9Very high11 Ų1110.8 Ų10.87%0.0715%0.053CC..Hα-helixtrans-59.3-20.8-179.2-17.326.8000114.2R170 E173 I174 Y177 G273 A274 A275R170-P271 HydrophobicContact CG-CG 4.47Å; E173-P271 HydrophobicContact CB-CB 4.34Å; E173-P271 HydrophobicContact CB-CG 4.47Å; I174-P271 HydrophobicContact CG1-CB 4.01Å; Y177-P271 HydrophobicContact CE2-CB 4.24Å; P271-G273 PolarHBondContact O-N 2.98Å; P271-A274 PolarHBondContact O-N 2.71Å; P271-A275 WeakPolarHBondContact O-CB 3.18Å; P271-A275 PolarHBondContact O-N 2.69Å
272L85.8Confident92Very high2 Ų210.8 Ų10.81%0.015%0.053CC..Hα-helixtrans-56.6-33.6173.8-177.660.6000112.5F73 I82 Y177 F181 N270 A275 V276 F318F73-L272 HydrophobicContact CD1-CD1 4.01Å; F73-L272 HydrophobicContact CD1-CD2 4.4Å; F73-L272 HydrophobicContact CE1-CD1 4.11Å; I82-L272 HydrophobicContact CD1-CD2 3.88Å; Y177-L272 HydrophobicContact CD1-CD1 4.49Å; Y177-L272 HydrophobicContact CE2-CB 4.42Å; Y177-L272 HydrophobicContact CG-CD1 4.37Å; F181-L272 HydrophobicContact CZ-CD1 3.73Å; N270-L272 PolarHBondContact O-N 2.77Å; N270-L272 WeakPolarHBondContact OD1-CB 3.49Å; N270-L272 PolarHBondContact OD1-N 2.78Å; L272-A275 PolarHBondContact O-N 3.48Å; L272-V276 HydrophobicContact CD1-CG2 4.18Å; L272-V276 WeakPolarHBondContact O-CG2 3.37Å; L272-V276 PolarHBondContact O-N 3.39Å; L272-F318 HydrophobicContact CB-CD2 4.41Å; L272-F318 HydrophobicContact CD2-CB 4.44Å; L272-F318 HydrophobicContact CD2-CD2 4.06Å; L272-F318 HydrophobicContact CG-CB 4.39Å; L272-F318 HydrophobicContact CG-CD2 3.97Å
273G88.9Confident91.9Very high0 Ų010.8 Ų10.80%05%0.053CC..Hα-helixtrans-64.4-48.4179.600000112.5H267 N270 P271 T277H267-G273 PolarHBondContact CE1-O 3.36Å; H267-G273 PolarHBondContact NE2-O 3.19Å; N270-G273 PolarHBondContact O-N 2.87Å; P271-G273 PolarHBondContact O-N 2.98Å; G273-T277 PolarHBondContact O-N 3.25Å; G273-T277 PolarHBondContact O-OG1 3.18Å
274A93.2Very high91.5Very high0 Ų011.3 Ų11.30%06%0.056CC..Hα-helixtrans-68.7-35.8174.400000112.1I174 V264 D266 P271 V276 T277 L278I174-A274 HydrophobicContact CD1-CB 3.69Å; I174-A274 HydrophobicContact CG1-CB 4.15Å; V264-A274 HydrophobicContact CG1-CB 4.26Å; D266-A274 WeakPolarHBondContact OD1-CB 3.4Å; P271-A274 PolarHBondContact O-N 2.71Å; A274-V276 PolarHBondContact O-N 3.21Å; A274-T277 PolarHBondContact O-N 3.41Å; A274-L278 WeakPolarHBondContact O-CB 3.49Å; A274-L278 PolarHBondContact O-N 2.98Å
275A92.8Very high91.3Very high0 Ų011.3 Ų11.30%06%0.056CC..Hα-helixtrans-63.7-39.3177.900000113.6I174 Y177 V178 F181 P271 L272 A279I174-A275 HydrophobicContact CB-CB 4.5Å; I174-A275 HydrophobicContact CG2-CB 4.25Å; Y177-A275 HydrophobicContact CD2-CB 3.92Å; Y177-A275 HydrophobicContact CG-CB 4.23Å; V178-A275 HydrophobicContact CG2-CB 4.24Å; V178-A275 WeakPolarHBondContact CG2-O 3.38Å; F181-A275 HydrophobicContact CE2-CB 4.35Å; P271-A275 WeakPolarHBondContact O-CB 3.18Å; P271-A275 PolarHBondContact O-N 2.69Å; L272-A275 PolarHBondContact O-N 3.48Å; A275-A279 VanDerWaalsContact O-CB 3.31Å; A275-A279 WeakPolarHBondContact O-CB 3.45Å; A275-A279 PolarHBondContact O-N 3.33Å
276V91.7Very high91.2Very high0 Ų010.5 Ų10.50%05%0.052CC..Hα-helixtrans-68.6-39.7175.6168.10000111.3F181 L272 A274 A279 H280 T314 F318 P319F181-V276 HydrophobicContact CE2-CG2 3.79Å; F181-V276 HydrophobicContact CZ-CG2 3.87Å; L272-V276 HydrophobicContact CD1-CG2 4.18Å; L272-V276 WeakPolarHBondContact O-CG2 3.37Å; L272-V276 PolarHBondContact O-N 3.39Å; A274-V276 PolarHBondContact O-N 3.21Å; V276-A279 PolarHBondContact O-N 3.23Å; V276-H280 PolarHBondContact O-N 3.2Å; V276-T314 HydrophobicContact CG1-CG2 4.15Å; V276-F318 HydrophobicContact CG2-CB 4.16Å; V276-P319 HydrophobicContact CG1-CG 3.75Å; V276-P319 WeakPolarHBondContact CG2-O 3.4Å
277T92.8Very high90.7Very high2 Ų210.3 Ų10.31%0.0125%0.051CC..Hα-helixtrans-63.3-47.5173.4-54.80000111.4I246 V264 H267 G273 A274 A279 H280 E281I246-T277 HydrophobicContact CD1-CG2 4.32Å; I246-T277 WeakPolarHBondContact CD1-OG1 3.43Å; I246-T277 HydrophobicContact CG1-CG2 4Å; I246-T277 WeakPolarHBondContact O-CG2 3.42Å; V264-T277 HydrophobicContact CB-CG2 4.39Å; V264-T277 HydrophobicContact CG1-CG2 3.8Å; V264-T277 HydrophobicContact CG2-CG2 4.24Å; H267-T277 PolarHBondContact NE2-OG1 2.9Å; G273-T277 PolarHBondContact O-N 3.25Å; G273-T277 PolarHBondContact O-OG1 3.18Å; A274-T277 PolarHBondContact O-N 3.41Å; T277-A279 VanDerWaalsContact C-N 3.29Å; T277-A279 PolarHBondContact O-N 3.08Å; T277-H280 WeakPolarHBondContact O-CB 3.44Å; T277-H280 PolarHBondContact O-N 3.31Å; T277-H280 VanDerWaalsContact O-N 3.08Å; T277-E281 HydrophobicContact CG2-CG 4.43Å; T277-E281 WeakPolarHBondContact O-CG 3.43Å; T277-E281 PolarHBondContact O-N 2.81Å
278L96.9Very high90.5Very high0 Ų09.2 Ų9.20%05%0.046CC..Hα-helixtrans-56.8-44.2174.4-165.6171.2000111I150 I174 V178 Q234 I236 V264 A274 H280 E281 L282I150-L278 HydrophobicContact CD1-CD1 3.83Å; I150-L278 HydrophobicContact CG1-CD1 4.34Å; I174-L278 HydrophobicContact CG2-CD1 3.62Å; V178-L278 HydrophobicContact CG1-CD2 3.99Å; V178-L278 HydrophobicContact CG2-CB 4.19Å; V178-L278 HydrophobicContact CG2-CD1 4.33Å; V178-L278 HydrophobicContact CG2-CD2 3.93Å; V178-L278 HydrophobicContact CG2-CG 4.37Å; Q234-L278 HydrophobicContact CB-CD1 4.1Å; Q234-L278 HydrophobicContact CB-CG 4.06Å; Q234-L278 HydrophobicContact CG-CD1 4.33Å; Q234-L278 HydrophobicContact CG-CD2 3.87Å; Q234-L278 HydrophobicContact CG-CG 3.9Å; I236-L278 HydrophobicContact CD1-CD1 4.24Å; V264-L278 HydrophobicContact CG2-CB 3.99Å; V264-L278 HydrophobicContact CG2-CG 4.39Å; A274-L278 WeakPolarHBondContact O-CB 3.49Å; A274-L278 PolarHBondContact O-N 2.98Å; L278-H280 VanDerWaalsContact C-N 3.29Å; L278-H280 PolarHBondContact O-N 3.19Å; L278-E281 PolarHBondContact O-N 3.09Å; L278-L282 HydrophobicContact CD2-CB 4.31Å; L278-L282 VanDerWaalsContact O-CB 3.28Å; L278-L282 WeakPolarHBondContact O-CB 3.07Å; L278-L282 PolarHBondContact O-N 3.31Å
279A96Very high90.2Very high0 Ų09.5 Ų9.50%05%0.046CC..Hα-helixtrans-63.7-32.8178.100000113.6V178 F181 Y182 A275 V276 T277 G283 I309V178-A279 HydrophobicContact CG2-CB 4.47Å; F181-A279 HydrophobicContact CD2-CB 3.77Å; F181-A279 HydrophobicContact CE2-CB 4.49Å; Y182-A279 HydrophobicContact CE2-CB 3.99Å; Y182-A279 PolarHBondContact OH-O 3.12Å; A275-A279 VanDerWaalsContact O-CB 3.31Å; A275-A279 WeakPolarHBondContact O-CB 3.45Å; A275-A279 PolarHBondContact O-N 3.33Å; V276-A279 PolarHBondContact O-N 3.23Å; T277-A279 VanDerWaalsContact C-N 3.29Å; T277-A279 PolarHBondContact O-N 3.08Å; A279-G283 PolarHBondContact O-N 3.33Å; A279-G283 VanDerWaalsContact O-N 3.15Å; A279-I309 HydrophobicContact CB-CG2 4.25Å
280H93.3Very high90.1Very high2 Ų23.6 Ų3.61%0.0092%0.019CC..Hα-helixtrans-66.3-51.5171.6-172116.8000111.4C109 V276 T277 L278 L282 G283 H284 H290 I309 T311C109-H280 PolarHBondContact SG-CE1 3.4Å; C109-H280 PolarHBondContact SG-NE2 3.37Å; V276-H280 PolarHBondContact O-N 3.2Å; T277-H280 WeakPolarHBondContact O-CB 3.44Å; T277-H280 PolarHBondContact O-N 3.31Å; T277-H280 VanDerWaalsContact O-N 3.08Å; L278-H280 VanDerWaalsContact C-N 3.29Å; L278-H280 PolarHBondContact O-N 3.19Å; H280-L282 PolarHBondContact O-N 2.4Å; H280-G283 CarbonylContact O-C 3.52Å; H280-G283 VanDerWaalsContact O-CA 3.24Å; H280-G283 WeakPolarHBondContact O-CA 3.27Å; H280-G283 PolarHBondContact O-N 3Å; H280-H284 AromaticContact CD2-CD2 3.91Å; H280-H284 AromaticContact CD2-NE2 3.79Å; H280-H284 AromaticContact NE2-CE1 3.8Å; H280-H284 AromaticContact NE2-NE2 3.39Å; H280-H284 PolarHBondContact NE2-NE2 2.85Å; H280-H284 PolarHBondContact O-N 3.04Å; H280-H290 AromaticContact CD2-NE2 3.71Å; H280-H290 AromaticContact CE1-CD2 3.7Å; H280-H290 AromaticContact CE1-NE2 3.43Å; H280-H290 PolarHBondContact CE1-NE2 2.03Å; H280-H290 AromaticContact NE2-CD2 3.44Å; H280-H290 PolarHBondContact NE2-CD2 2.92Å; H280-H290 AromaticContact NE2-NE2 2.6Å; H280-H290 PolarHBondContact NE2-NE2 2.95Å; H280-I309 HydrophobicContact CB-CG2 4.14Å; H280-I309 PolarHBondContact ND1-O 2.87Å; H280-T311 PolarHBondContact CE1-O 3.15Å
281E94.3Very high89.9Confident2 Ų23.7 Ų3.71%0.0092%0.019CC..Hα-helixtrans-66.1-38.6-177.8-60.5-4014500112.3C109 G247 M248 A249 V264 T277 L278 G283 H284 N285C109-E281 WeakPolarHBondContact CB-OE1 3.49Å; G247-E281 VanDerWaalsContact C-CD 3.42Å; G247-E281 WeakPolarHBondContact CA-OE1 3.46Å; M248-E281 VanDerWaalsContact CA-CD 3.49Å; M248-E281 WeakPolarHBondContact CA-OE2 3.39Å; M248-E281 PolarHBondContact N-OE1 2.83Å; M248-E281 PolarHBondContact N-OE2 3.01Å; A249-E281 HydrophobicContact CB-CB 3.7Å; A249-E281 HydrophobicContact CB-CG 4.46Å; A249-E281 WeakPolarHBondContact CB-O 3.5Å; A249-E281 PolarHBondContact N-OE2 3.02Å; V264-E281 HydrophobicContact CG2-CG 4.31Å; T277-E281 HydrophobicContact CG2-CG 4.43Å; T277-E281 WeakPolarHBondContact O-CG 3.43Å; T277-E281 PolarHBondContact O-N 2.81Å; L278-E281 PolarHBondContact O-N 3.09Å; E281-G283 PolarHBondContact O-N 2.8Å; E281-H284 WeakPolarHBondContact O-CB 3.28Å; E281-H284 PolarHBondContact O-N 3.22Å; E281-H284 VanDerWaalsContact O-N 3.16Å; E281-H284 IonicContact OE2-CD2 3.61Å; E281-N285 PolarHBondContact O-N 2.99Å; E281-N285 VanDerWaalsContact O-N 3.1Å
282L96.1Very high89.2Confident0 Ų04.4 Ų4.40%02%0.024CC..Hα-helixtrans-61.2-32.6169.3-165.566.6000111.3V178 Y182 V189 N232 M254 L278 H280 N285 F286V178-L282 HydrophobicContact CG1-CD2 4.12Å; Y182-L282 HydrophobicContact CD2-CD2 4.21Å; Y182-L282 HydrophobicContact CE1-CD2 4.49Å; Y182-L282 HydrophobicContact CE2-CB 4.33Å; Y182-L282 HydrophobicContact CE2-CD2 3.8Å; Y182-L282 HydrophobicContact CE2-CG 4.39Å; V189-L282 HydrophobicContact CG2-CD2 4.35Å; N232-L282 HydrophobicContact CB-CD1 4.22Å; N232-L282 VanDerWaalsContact OD1-CD1 3.25Å; N232-L282 WeakPolarHBondContact OD1-CD1 3.04Å; M254-L282 HydrophobicContact CE-CD1 3.59Å; M254-L282 HydrophobicContact CE-CG 4.28Å; L278-L282 HydrophobicContact CD2-CB 4.31Å; L278-L282 VanDerWaalsContact O-CB 3.28Å; L278-L282 WeakPolarHBondContact O-CB 3.07Å; L278-L282 PolarHBondContact O-N 3.31Å; H280-L282 PolarHBondContact O-N 2.4Å; L282-N285 WeakPolarHBondContact O-CB 3.47Å; L282-N285 PolarHBondContact O-N 3.04Å; L282-F286 HydrophobicContact CD2-CE2 4.29Å; L282-F286 HydrophobicContact CG-CD2 4.16Å; L282-F286 HydrophobicContact CG-CE2 3.99Å; L282-F286 WeakPolarHBondContact O-CD2 3.3Å; L282-F286 PolarHBondContact O-N 2.84Å
283G93.4Very high88.4Confident0 Ų09.4 Ų9.40%06%0.056CC..Hα-helixtrans-65.4-38.9175.900000112Y182 A279 H280 E281 F286 G287 M288Y182-G283 WeakPolarHBondContact OH-CA 3.17Å; Y182-G283 PolarHBondContact OH-N 2.98Å; A279-G283 PolarHBondContact O-N 3.33Å; A279-G283 VanDerWaalsContact O-N 3.15Å; H280-G283 CarbonylContact O-C 3.52Å; H280-G283 VanDerWaalsContact O-CA 3.24Å; H280-G283 WeakPolarHBondContact O-CA 3.27Å; H280-G283 PolarHBondContact O-N 3Å; E281-G283 PolarHBondContact O-N 2.8Å; G283-F286 CarbonylContact O-C 3.59Å; G283-F286 WeakPolarHBondContact O-CB 3.41Å; G283-F286 PolarHBondContact O-N 2.95Å; G283-G287 PolarHBondContact O-N 3.48Å; G283-M288 VanDerWaalsContact O-CB 3.29Å; G283-M288 WeakPolarHBondContact O-CB 3.28Å; G283-M288 WeakPolarHBondContact O-CG 3.2Å; G283-M288 PolarHBondContact O-N 2.74Å
284H86.6Confident87.3Confident12 Ų1216.2 Ų16.26%0.0569%0.088CC..Hα-helixtrans-61.1-48.3168-76.8-30.5000111.7A249 P250 I251 M252 H280 E281 F286 G287 M288 H290A249-H284 HydrophobicContact CB-CB 4.12Å; P250-H284 CarbonylContact O-C 3.58Å; I251-H284 CarbonylContact C-O 3.4Å; I251-H284 WeakPolarHBondContact CA-O 3.47Å; I251-H284 HydrophobicContact CG1-CB 3.98Å; M252-H284 PolarHBondContact N-O 3Å; H280-H284 AromaticContact CD2-CD2 3.91Å; H280-H284 AromaticContact CD2-NE2 3.79Å; H280-H284 AromaticContact NE2-CE1 3.8Å; H280-H284 AromaticContact NE2-NE2 3.39Å; H280-H284 PolarHBondContact NE2-NE2 2.85Å; H280-H284 PolarHBondContact O-N 3.04Å; E281-H284 WeakPolarHBondContact O-CB 3.28Å; E281-H284 PolarHBondContact O-N 3.22Å; E281-H284 VanDerWaalsContact O-N 3.16Å; E281-H284 IonicContact OE2-CD2 3.61Å; H284-F286 PolarHBondContact O-N 3.37Å; H284-F286 VanDerWaalsContact O-N 3.17Å; H284-G287 WeakPolarHBondContact O-CA 3.3Å; H284-G287 PolarHBondContact O-N 2.9Å; H284-M288 PolarHBondContact ND1-O 3.13Å; H284-H290 AromaticContact CD2-NE2 3.67Å; H284-H290 AromaticContact CE1-CD2 3.44Å; H284-H290 PolarHBondContact CE1-CD2 3.21Å; H284-H290 VanDerWaalsContact CE1-CD2 3.44Å; H284-H290 AromaticContact CE1-NE2 2.88Å; H284-H290 PolarHBondContact CE1-NE2 2.79Å; H284-H290 AromaticContact NE2-CD2 3.77Å; H284-H290 AromaticContact NE2-NE2 2.4Å; H284-H290 PolarHBondContact NE2-NE2 2.86Å
285N92.3Very high86.2Confident0 Ų019.9 Ų19.90%010%0.102CC..Hα-helixtrans-55.9-37.4176-59149000111.8N232 Q234 P250 M252 S253 M254 G261 E281 L282 G287N232-N285 PolarHBondContact ND2-OD1 2.88Å; Q234-N285 PolarHBondContact NE2-OD1 3.41Å; Q234-N285 VanDerWaalsContact NE2-OD1 3.13Å; P250-N285 WeakPolarHBondContact O-CA 3.23Å; P250-N285 PolarHBondContact O-N 3.22Å; P250-N285 PolarHBondContact O-ND2 2.84Å; P250-N285 VanDerWaalsContact O-ND2 3.07Å; M252-N285 CarbonylContact C-O 3.56Å; M252-N285 WeakPolarHBondContact CA-O 3.46Å; S253-N285 PolarHBondContact N-O 3.03Å; S253-N285 VanDerWaalsContact N-O 3.11Å; S253-N285 PolarHBondContact OG-ND2 3.4Å; M254-N285 HydrophobicContact CB-CB 4.33Å; M254-N285 VanDerWaalsContact CB-O 3.27Å; M254-N285 WeakPolarHBondContact CB-O 3.32Å; M254-N285 HydrophobicContact CE-CB 4.08Å; M254-N285 PolarHBondContact N-O 3.06Å; G261-N285 PolarHBondContact O-ND2 2.94Å; G261-N285 PolarHBondContact O-OD1 2.84Å; E281-N285 PolarHBondContact O-N 2.99Å; E281-N285 VanDerWaalsContact O-N 3.1Å; L282-N285 WeakPolarHBondContact O-CB 3.47Å; L282-N285 PolarHBondContact O-N 3.04Å; N285-G287 PolarHBondContact O-N 3.49Å
286F92.1Very high85.2Confident0 Ų023 Ų230%013%0.133CC..THydrogen-bonded Turntrans-69.6-10.4172.5-86.3-63.8000115.7V146 Y182 I187 M254 L282 G283 H284 M288 L330 S333 L342V146-F286 HydrophobicContact CG2-CE2 4.11Å; V146-F286 HydrophobicContact CG2-CZ 3.58Å; Y182-F286 HydrophobicContact CD1-CD2 4.42Å; Y182-F286 AromaticContact CD1-CE2 3.98Å; Y182-F286 HydrophobicContact CD1-CE2 3.98Å; Y182-F286 AromaticContact CE1-CD2 3.52Å; Y182-F286 HydrophobicContact CE1-CD2 3.52Å; Y182-F286 AromaticContact CE1-CE2 3.49Å; Y182-F286 HydrophobicContact CE1-CE2 3.49Å; Y182-F286 VanDerWaalsContact CE1-CE2 3.49Å; I187-F286 HydrophobicContact CD1-CD1 4.24Å; I187-F286 HydrophobicContact CD1-CE1 3.65Å; I187-F286 HydrophobicContact CD1-CE2 4.09Å; I187-F286 HydrophobicContact CD1-CZ 3.57Å; I187-F286 HydrophobicContact CG2-CE2 4.41Å; I187-F286 HydrophobicContact CG2-CZ 3.9Å; M254-F286 HydrophobicContact CE-CD1 4.48Å; M254-F286 HydrophobicContact CE-CD2 4.03Å; M254-F286 HydrophobicContact CE-CE1 4.21Å; M254-F286 HydrophobicContact CE-CE2 3.72Å; M254-F286 HydrophobicContact CE-CG 4.39Å; M254-F286 HydrophobicContact CE-CZ 3.81Å; M254-F286 HydrophobicContact CG-CD1 4.46Å; M254-F286 HydrophobicContact CG-CE1 4.27Å; L282-F286 HydrophobicContact CD2-CE2 4.29Å; L282-F286 HydrophobicContact CG-CD2 4.16Å; L282-F286 HydrophobicContact CG-CE2 3.99Å; L282-F286 WeakPolarHBondContact O-CD2 3.3Å; L282-F286 PolarHBondContact O-N 2.84Å; G283-F286 CarbonylContact O-C 3.59Å; G283-F286 WeakPolarHBondContact O-CB 3.41Å; G283-F286 PolarHBondContact O-N 2.95Å; H284-F286 PolarHBondContact O-N 3.37Å; H284-F286 VanDerWaalsContact O-N 3.17Å; F286-M288 HydrophobicContact CB-CE 4.06Å; F286-L330 HydrophobicContact CB-CD1 3.98Å; F286-L330 HydrophobicContact CD1-CD1 3.64Å; F286-L330 HydrophobicContact CE1-CD1 4.39Å; F286-L330 HydrophobicContact CG-CD1 3.99Å; F286-S333 WeakPolarHBondContact O-CB 3.35Å; F286-S333 PolarHBondContact O-OG 3.38Å; F286-L342 HydrophobicContact CD1-CD1 4.49Å; F286-L342 HydrophobicContact CE1-CD1 3.42Å; F286-L342 VanDerWaalsContact CE1-CD1 3.42Å; F286-L342 HydrophobicContact CZ-CD1 3.88Å
287G84.1Confident84.4Confident0 Ų023.3 Ų23.30%014%0.136CC..THydrogen-bonded Turntrans9313179.500000115.4M252 G283 H284 N285M252-G287 VanDerWaalsContact CG-CA 3.42Å; G283-G287 PolarHBondContact O-N 3.48Å; H284-G287 WeakPolarHBondContact O-CA 3.3Å; H284-G287 PolarHBondContact O-N 2.9Å; N285-G287 PolarHBondContact O-N 3.49Å
288M86.2Confident83.2Confident0 Ų025.9 Ų25.90%016%0.163CC..PPolyproline II helixtrans-75.7131.9174.2-52.6-175.7-149.600110.6Y182 L185 G283 H284 F286 M310 F322 S326 L330Y182-M288 HydrophobicContact CE1-CE 4.15Å; L185-M288 HydrophobicContact CD1-CE 3.6Å; G283-M288 VanDerWaalsContact O-CB 3.29Å; G283-M288 WeakPolarHBondContact O-CB 3.28Å; G283-M288 WeakPolarHBondContact O-CG 3.2Å; G283-M288 PolarHBondContact O-N 2.74Å; H284-M288 PolarHBondContact ND1-O 3.13Å; F286-M288 HydrophobicContact CB-CE 4.06Å; M288-M310 HydrophobicContact CB-CE 4.04Å; M288-M310 HydrophobicContact CB-CG 4.04Å; M288-M310 HydrophobicContact CB-SD 4.14Å; M288-M310 HydrophobicContact SD-CG 4.08Å; M288-M310 HydrophobicContact SD-SD 4.28Å; M288-F322 HydrophobicContact CE-CD1 4.37Å; M288-F322 HydrophobicContact CE-CE1 4.12Å; M288-F322 HydrophobicContact SD-CD1 3.72Å; M288-F322 HydrophobicContact SD-CE1 3.73Å; M288-S326 VanDerWaalsContact SD-CB 3.59Å; M288-L330 HydrophobicContact CE-CB 4.15Å; M288-L330 HydrophobicContact CE-CD1 4.29Å; M288-L330 HydrophobicContact CE-CD2 4.27Å; M288-L330 HydrophobicContact CE-CG 4.47Å; M288-L330 HydrophobicContact CG-CB 4.4Å
289N80.5Confident82.2Confident18 Ų1827.8 Ų27.810%0.09618%0.176CC..PPolyproline II helixtrans-94.3169.6171.9-55.4-86.1000110.1D329N289-D329 WeakPolarHBondContact CB-OD2 3.38Å; N289-D329 PolarHBondContact N-OD2 3.41Å; N289-D329 PolarHBondContact ND2-OD2 3.32Å
290H83.4Confident81Confident19 Ų1938.5 Ų38.59%0.08822%0.216CC..PPolyproline II helixtrans-62.7147.1176.8-61.6157.5000113.4C109 H280 H284 T292 R295 M310 P312C109-H290 PolarHBondContact O-CE1 3.49Å; C109-H290 PolarHBondContact SG-CE1 2.67Å; C109-H290 PolarHBondContact SG-NE2 2.89Å; H280-H290 AromaticContact CD2-NE2 3.71Å; H280-H290 AromaticContact CE1-CD2 3.7Å; H280-H290 AromaticContact CE1-NE2 3.43Å; H280-H290 PolarHBondContact CE1-NE2 2.03Å; H280-H290 AromaticContact NE2-CD2 3.44Å; H280-H290 PolarHBondContact NE2-CD2 2.92Å; H280-H290 AromaticContact NE2-NE2 2.6Å; H280-H290 PolarHBondContact NE2-NE2 2.95Å; H284-H290 AromaticContact CD2-NE2 3.67Å; H284-H290 AromaticContact CE1-CD2 3.44Å; H284-H290 PolarHBondContact CE1-CD2 3.21Å; H284-H290 VanDerWaalsContact CE1-CD2 3.44Å; H284-H290 AromaticContact CE1-NE2 2.88Å; H284-H290 PolarHBondContact CE1-NE2 2.79Å; H284-H290 AromaticContact NE2-CD2 3.77Å; H284-H290 AromaticContact NE2-NE2 2.4Å; H284-H290 PolarHBondContact NE2-NE2 2.86Å; H290-T292 HydrophobicContact CB-CG2 3.66Å; H290-T292 PolarHBondContact O-N 2.89Å; H290-R295 PolarHBondContact O-NE 2.92Å; H290-M310 CarbonylContact C-O 3.45Å; H290-M310 WeakPolarHBondContact CA-O 3.43Å; H290-P312 HydrophobicContact CB-CG 3.79Å
291D80Confident79.8Confident9 Ų941.5 Ų41.55%0.04823%0.231CC..  trans-8192.1168.3-70.9-45.6000109.1M310 S323 C325 S326D291-M310 PolarHBondContact N-O 3.15Å; D291-S323 WeakPolarHBondContact OD1-CB 3.41Å; D291-S323 PolarHBondContact OD1-OG 3.33Å; D291-S323 WeakPolarHBondContact OD2-CB 3.39Å; D291-S323 PolarHBondContact OD2-OG 2.95Å; D291-C325 WeakPolarHBondContact OD1-CB 3.26Å; D291-S326 PolarHBondContact OD2-OG 3.46Å
292T73.1Confident78.4Confident27 Ų2744.7 Ų44.717%0.16625%0.25CS..  trans-118.7150.3179.894.50000112.8H290 E294 R295 C297 P312H290-T292 HydrophobicContact CB-CG2 3.66Å; H290-T292 PolarHBondContact O-N 2.89Å; T292-E294 VanDerWaalsContact C-N 3.28Å; T292-E294 WeakPolarHBondContact CB-OE2 3.21Å; T292-E294 PolarHBondContact O-N 3.49Å; T292-E294 PolarHBondContact OG1-N 2.85Å; T292-E294 PolarHBondContact OG1-OE2 2.87Å; T292-R295 PolarHBondContact O-N 3.04Å; T292-R295 PolarHBondContact OG1-N 3.17Å; T292-C297 PolarHBondContact O-N 2.74Å; T292-P312 HydrophobicContact CG2-CG 3.92Å
293P69.6Low76.7Confident107 Ų10750.8 Ų50.870%0.69529%0.287SS*.G310 helixtrans-59.1-35.8175.5-2435000113.5R295 G296P293-R295 VanDerWaalsContact C-N 3.27Å; P293-R295 PolarHBondContact O-N 2.86Å; P293-G296 WeakPolarHBondContact O-CA 3.44Å; P293-G296 PolarHBondContact O-N 3.41Å
294E65.3Low75.1Confident142 Ų14255.6 Ų55.666%0.66431%0.313SS*.G310 helixtrans-65-32.4-178.8-55.470.4-150.800111.7T292 G296T292-E294 VanDerWaalsContact C-N 3.28Å; T292-E294 WeakPolarHBondContact CB-OE2 3.21Å; T292-E294 PolarHBondContact O-N 3.49Å; T292-E294 PolarHBondContact OG1-N 2.85Å; T292-E294 PolarHBondContact OG1-OE2 2.87Å; E294-G296 PolarHBondContact O-N 3.19Å
295R69.1Low73.9Confident77 Ų7758.8 Ų58.829%0.29133%0.325SS..G310 helixtrans-81.31174.3-147.8170.972.4107.9-9.3113H290 T292 P293 C297 D329H290-R295 PolarHBondContact O-NE 2.92Å; T292-R295 PolarHBondContact O-N 3.04Å; T292-R295 PolarHBondContact OG1-N 3.17Å; P293-R295 VanDerWaalsContact C-N 3.27Å; P293-R295 PolarHBondContact O-N 2.86Å; R295-C297 HydrophobicContact CB-CB 4.43Å; R295-C297 PolarHBondContact O-N 3.26Å; R295-D329 IonicContact CZ-OD1 2.93Å; R295-D329 IonicContact CZ-OD2 3.63Å; R295-D329 VanDerWaalsContact CZ-OD2 3.31Å; R295-D329 IonicContact NH1-OD1 2.67Å; R295-D329 PolarHBondContact NH1-OD1 3.15Å; R295-D329 IonicContact NH1-OD2 3.51Å; R295-D329 PolarHBondContact NH1-OD2 3.48Å; R295-D329 IonicContact NH2-OD1 2.79Å; R295-D329 PolarHBondContact NH2-OD1 2.91Å; R295-D329 IonicContact NH2-OD2 2.72Å; R295-D329 PolarHBondContact NH2-OD2 2.94Å
296G71.9Confident72.7Confident65 Ų6559.5 Ų59.567%0.6733%0.332SS*.THydrogen-bonded Turntrans69.316.1-171.800000113.6P293 E294 G298P293-G296 WeakPolarHBondContact O-CA 3.44Å; P293-G296 PolarHBondContact O-N 3.41Å; E294-G296 PolarHBondContact O-N 3.19Å; G296-G298 PolarHBondContact O-N 2.8Å
297C74.9Confident72.2Confident8 Ų860 Ų605%0.05434%0.337CS..  trans-98.980.7-173.4-72.70000111.1T292 R295 C325T292-C297 PolarHBondContact O-N 2.74Å; R295-C297 HydrophobicContact CB-CB 4.43Å; R295-C297 PolarHBondContact O-N 3.26Å; C297-C325 VanDerWaalsContact CA-SG 3.52Å; C297-C325 HydrophobicContact CB-CB 3.73Å; C297-C325 WeakPolarHBondContact CB-SG 2.97Å; C297-C325 WeakPolarHBondContact SG-CB 3.03Å; C297-C325 CovalentContact SG-SG 2.04Å; C297-C325 PolarHBondContact SG-SG 2.95Å
298G68.8Low72.3Confident56 Ų5660.1 Ų60.158%0.57734%0.338SS*.  trans-77.7122.6170.600000111.9G296 R300G296-G298 PolarHBondContact O-N 2.8Å; G298-R300 PolarHBondContact O-N 3.46Å
299C75.6Confident72.5Confident39 Ų3960.1 Ų60.126%0.26434%0.338SS..  trans-64.6127.9163.1-176.20000109.3M301 C308C299-M301 VanDerWaalsContact C-N 3.32Å; C299-C308 HydrophobicContact CB-CB 3.8Å; C299-C308 WeakPolarHBondContact CB-SG 3.36Å; C299-C308 WeakPolarHBondContact SG-CB 3.33Å; C299-C308 PolarHBondContact SG-N 3.24Å; C299-C308 CovalentContact SG-SG 2.04Å; C299-C308 PolarHBondContact SG-SG 3.08Å
300R69.7Low72.9Confident225 Ų22559.2 Ų59.285%0.84933%0.333SS*.SBendtrans-78.4-16.7177.3-71-173.9177.7-173.3-1.5113.4G298G298-R300 PolarHBondContact O-N 3.46Å
301M69Low72.9Confident66 Ų6660.1 Ų60.133%0.32534%0.34SS..SBendtrans-76.5134.6172.2-61.2-60.5-86.700109.2C299 R305 V321C299-M301 VanDerWaalsContact C-N 3.32Å; M301-R305 HydrophobicContact CE-CB 4.11Å; M301-V321 HydrophobicContact CG-CG2 3.57Å
302T64.4Low72.6Confident68 Ų6860.9 Ų60.942%0.41735%0.345SS..  trans-74.2157.1178.454.60000110.6D304 R305T302-D304 WeakPolarHBondContact CB-OD1 3.46Å; T302-D304 PolarHBondContact O-N 3.15Å; T302-D304 PolarHBondContact OG1-OD1 2.9Å; T302-D304 PolarHBondContact OG1-OD2 2.76Å; T302-R305 WeakPolarHBondContact O-CA 3.4Å; T302-R305 WeakPolarHBondContact O-CB 3.28Å; T302-R305 PolarHBondContact O-N 2.72Å
303V61.4Low72.5Confident128 Ų12863.1 Ų63.178%0.77636%0.362SS*.G310 helixtrans-63.5-30.6-172.8-176.10000112R305 G306 P317V303-R305 PolarHBondContact O-N 3.42Å; V303-R305 VanDerWaalsContact O-N 3.15Å; V303-G306 PolarHBondContact O-N 2.82Å; V303-P317 WeakPolarHBondContact O-CD 3.3Å
304D58.6Low72.4Confident102 Ų10258.5 Ų58.555%0.54533%0.332SS..G310 helixtrans-64.1-9.2171.259-63.6000114.3T302 P317T302-D304 WeakPolarHBondContact CB-OD1 3.46Å; T302-D304 PolarHBondContact O-N 3.15Å; T302-D304 PolarHBondContact OG1-OD1 2.9Å; T302-D304 PolarHBondContact OG1-OD2 2.76Å; D304-P317 WeakPolarHBondContact O-CG 3.26Å
305R61.1Low72.4Confident78 Ų7853 Ų5329%0.29431%0.314SS..G310 helixtrans-108.912.2171.3-52.5-175.3-165.5-137.64.9113.3E77 N78 M301 T302 V303 G307E77-R305 PolarHBondContact O-NH1 2.67Å; N78-R305 VanDerWaalsContact CG-CZ 3.4Å; N78-R305 PolarHBondContact ND2-NH2 2.77Å; N78-R305 PolarHBondContact OD1-NH1 2.88Å; N78-R305 PolarHBondContact OD1-NH2 2.78Å; M301-R305 HydrophobicContact CE-CB 4.11Å; T302-R305 WeakPolarHBondContact O-CA 3.4Å; T302-R305 WeakPolarHBondContact O-CB 3.28Å; T302-R305 PolarHBondContact O-N 2.72Å; V303-R305 PolarHBondContact O-N 3.42Å; V303-R305 VanDerWaalsContact O-N 3.15Å; R305-G307 VanDerWaalsContact C-N 3.29Å; R305-G307 PolarHBondContact O-N 3.23Å
306G67.8Low72.3Confident15 Ų1552.1 Ų52.116%0.15531%0.311CS..THydrogen-bonded Turntrans81-4.9179.700000116V303 P317 P319V303-G306 PolarHBondContact O-N 2.82Å; G306-P317 WeakPolarHBondContact CA-O 3.45Å; G306-P319 WeakPolarHBondContact O-CB 3.5Å; G306-P319 WeakPolarHBondContact O-CD 3.19Å
307G80.8Confident72.2Confident10 Ų1050 Ų5010%0.10329%0.285CS..  trans77.8-137.3178.300000113.7R305R305-G307 VanDerWaalsContact C-N 3.29Å; R305-G307 PolarHBondContact O-N 3.23Å
308C87.4Confident72.4Confident3 Ų350 Ų502%0.0228%0.284CS..  trans-123.9144.9-175.5-700000110.3C299 M310 T311 P319 V321C299-C308 HydrophobicContact CB-CB 3.8Å; C299-C308 WeakPolarHBondContact CB-SG 3.36Å; C299-C308 WeakPolarHBondContact SG-CB 3.33Å; C299-C308 PolarHBondContact SG-N 3.24Å; C299-C308 CovalentContact SG-SG 2.04Å; C299-C308 PolarHBondContact SG-SG 3.08Å; C308-M310 VanDerWaalsContact C-N 3.29Å; C308-M310 PolarHBondContact O-N 2.99Å; C308-T311 PolarHBondContact N-OG1 3.12Å; C308-T311 VanDerWaalsContact O-CB 3.26Å; C308-T311 WeakPolarHBondContact O-CB 3.42Å; C308-T311 PolarHBondContact O-N 2.74Å; C308-T311 PolarHBondContact O-OG1 2.02Å; C308-P319 VanDerWaalsContact C-CB 3.49Å; C308-V321 CarbonylContact C-O 3.5Å; C308-V321 VanDerWaalsContact CA-O 3.29Å; C308-V321 WeakPolarHBondContact CA-O 3.21Å
309I89.7Confident73Confident0 Ų047.4 Ų47.40%026%0.257CS..THydrogen-bonded Turntrans-53.3-44-174.3-70.2168.7000111.8F181 A279 H280 T311 P319 V321 F322F181-I309 HydrophobicContact CB-CD1 3.95Å; F181-I309 HydrophobicContact CD1-CD1 4.5Å; F181-I309 HydrophobicContact CD2-CD1 4.33Å; F181-I309 HydrophobicContact CG-CD1 4.03Å; A279-I309 HydrophobicContact CB-CG2 4.25Å; H280-I309 HydrophobicContact CB-CG2 4.14Å; H280-I309 PolarHBondContact ND1-O 2.87Å; I309-T311 PolarHBondContact O-N 3.39Å; I309-T311 VanDerWaalsContact O-N 3.12Å; I309-P319 HydrophobicContact CG1-CB 4.25Å; I309-V321 PolarHBondContact N-O 3.23Å; I309-F322 HydrophobicContact CB-CD1 4.17Å; I309-F322 HydrophobicContact CB-CE1 3.96Å; I309-F322 HydrophobicContact CB-CZ 4.28Å; I309-F322 HydrophobicContact CD1-CD2 3.99Å; I309-F322 HydrophobicContact CD1-CE1 4.33Å; I309-F322 HydrophobicContact CD1-CE2 3.65Å; I309-F322 HydrophobicContact CD1-CG 4.47Å; I309-F322 HydrophobicContact CD1-CZ 3.83Å; I309-F322 HydrophobicContact CG2-CD1 4.42Å; I309-F322 HydrophobicContact CG2-CE1 3.73Å; I309-F322 HydrophobicContact CG2-CZ 3.95Å
310M88.4Confident73.3Confident0 Ų046.8 Ų46.80%025%0.252CS..THydrogen-bonded Turntrans-79.720.1-180-57.6-51.8-53.800114.6M288 H290 D291 C308 F322M288-M310 HydrophobicContact CB-CE 4.04Å; M288-M310 HydrophobicContact CB-CG 4.04Å; M288-M310 HydrophobicContact CB-SD 4.14Å; M288-M310 HydrophobicContact SD-CG 4.08Å; M288-M310 HydrophobicContact SD-SD 4.28Å; H290-M310 CarbonylContact C-O 3.45Å; H290-M310 WeakPolarHBondContact CA-O 3.43Å; D291-M310 PolarHBondContact N-O 3.15Å; C308-M310 VanDerWaalsContact C-N 3.29Å; C308-M310 PolarHBondContact O-N 2.99Å; M310-F322 HydrophobicContact CG-CD1 4.02Å; M310-F322 HydrophobicContact CG-CE1 4.12Å; M310-F322 HydrophobicContact SD-CE1 4.06Å
311T83.5Confident73.9Confident38 Ų3838.3 Ų38.323%0.23323%0.225CC..  trans-72135.4172.9-54.60000109.2H280 C308 I309 S313H280-T311 PolarHBondContact CE1-O 3.15Å; C308-T311 PolarHBondContact N-OG1 3.12Å; C308-T311 VanDerWaalsContact O-CB 3.26Å; C308-T311 WeakPolarHBondContact O-CB 3.42Å; C308-T311 PolarHBondContact O-N 2.74Å; C308-T311 PolarHBondContact O-OG1 2.02Å; I309-T311 PolarHBondContact O-N 3.39Å; I309-T311 VanDerWaalsContact O-N 3.12Å; T311-S313 PolarHBondContact O-N 2.89Å; T311-S313 VanDerWaalsContact O-N 3.1Å
312P73.9Confident74.8Confident24 Ų2436 Ų3616%0.15621%0.213CC..SBendtrans-56.8-30.4-175.3-21.125.2000114.9A108 C109 H290 T292A108-P312 VanDerWaalsContact CA-O 3.27Å; A108-P312 WeakPolarHBondContact CA-O 3.44Å; A108-P312 WeakPolarHBondContact CB-O 3.45Å; C109-P312 PolarHBondContact N-O 3.39Å; C109-P312 VanDerWaalsContact N-O 3.12Å; C109-P312 PolarHBondContact SG-O 3.46Å; H290-P312 HydrophobicContact CB-CG 3.79Å; T292-P312 HydrophobicContact CG2-CG 3.92Å
313S71.4Confident76Confident74 Ų7433 Ų3352%0.51720%0.196SC..EExtended strand (participates in β ladder)trans-116.3122175.5-57.60000109.6G107 T311G107-S313 CarbonylContact O-C 3.59Å; G107-S313 WeakPolarHBondContact O-CA 3.05Å; T311-S313 PolarHBondContact O-N 2.89Å; T311-S313 VanDerWaalsContact O-N 3.1Å
314T68.3Low77.2Confident10 Ų1030.7 Ų30.76%0.06118%0.182CC..EExtended strand (participates in β ladder)trans-90.9108.6168.1-67.90000108.3G107 V276 F318G107-T314 PolarHBondContact N-O 3.11Å; G107-T314 PolarHBondContact O-N 3.46Å; V276-T314 HydrophobicContact CG1-CG2 4.15Å; T314-F318 HydrophobicContact CG2-CD1 3.89Å; T314-F318 HydrophobicContact CG2-CE1 4.31Å
315G64.9Low78.6Confident27 Ų2726.7 Ų26.728%0.27816%0.161SC..  trans-94.7-174.8168.500000111.7P317G315-P317 CarbonylContact O-C 3.43Å
316Y66.5Low79.9Confident59 Ų5923 Ų2323%0.23115%0.147CC..SBendtrans-94.6132.3163.5171.1-83.6000108V99 E100 L102V99-Y316 VanDerWaalsContact C-CE2 3.47Å; V99-Y316 HydrophobicContact CB-CE2 4.35Å; V99-Y316 HydrophobicContact CG1-CE2 3.44Å; V99-Y316 VanDerWaalsContact CG1-CE2 3.44Å; V99-Y316 WeakPolarHBondContact CG1-OH 3.23Å; V99-Y316 WeakPolarHBondContact O-CE2 3.27Å; V99-Y316 PolarHBondContact O-OH 2.81Å; V99-Y316 VanDerWaalsContact O-OH 3.04Å; E100-Y316 VanDerWaalsContact CA-OH 3.31Å; E100-Y316 WeakPolarHBondContact CA-OH 3.21Å; E100-Y316 HydrophobicContact CB-CE1 4.02Å; E100-Y316 WeakPolarHBondContact CB-OH 3.44Å; E100-Y316 PolarHBondContact N-OH 3.31Å; L102-Y316 HydrophobicContact CB-CD2 3.92Å; L102-Y316 HydrophobicContact CB-CE2 3.97Å
317P70.6Confident81Confident19 Ų1926.8 Ų26.812%0.12316%0.16CC..SBendcis-66.3156.30.2-9.222.1000113.9V99 V303 D304 G306 G315V99-P317 HydrophobicContact CG1-CB 4.12Å; V303-P317 WeakPolarHBondContact O-CD 3.3Å; D304-P317 WeakPolarHBondContact O-CG 3.26Å; G306-P317 WeakPolarHBondContact CA-O 3.45Å; G315-P317 CarbonylContact O-C 3.43Å
318F78.6Confident81.3Confident8 Ų833.3 Ų33.34%0.03519%0.185CC..PPolyproline II helixtrans-76.7130.4176.8-66-51.3000112.2V104 H267 L272 V276 T314V104-F318 HydrophobicContact CB-CZ 4.25Å; V104-F318 HydrophobicContact CG1-CE1 4.22Å; V104-F318 HydrophobicContact CG1-CZ 3.91Å; V104-F318 HydrophobicContact CG2-CE2 4.3Å; V104-F318 HydrophobicContact CG2-CZ 3.83Å; H267-F318 AromaticContact CE1-CE1 3.76Å; H267-F318 AromaticContact CE1-CZ 3.96Å; L272-F318 HydrophobicContact CB-CD2 4.41Å; L272-F318 HydrophobicContact CD2-CB 4.44Å; L272-F318 HydrophobicContact CD2-CD2 4.06Å; L272-F318 HydrophobicContact CG-CB 4.39Å; L272-F318 HydrophobicContact CG-CD2 3.97Å; V276-F318 HydrophobicContact CG2-CB 4.16Å; T314-F318 HydrophobicContact CG2-CD1 3.89Å; T314-F318 HydrophobicContact CG2-CE1 4.31Å
319P82.6Confident81.2Confident2 Ų234.1 Ų34.11%0.01319%0.19CC..PPolyproline II helixtrans-69.6139.8175.724.1-31.5000112.7V276 G306 C308 I309V276-P319 HydrophobicContact CG1-CG 3.75Å; V276-P319 WeakPolarHBondContact CG2-O 3.4Å; G306-P319 WeakPolarHBondContact O-CB 3.5Å; G306-P319 WeakPolarHBondContact O-CD 3.19Å; C308-P319 VanDerWaalsContact C-CB 3.49Å; I309-P319 HydrophobicContact CG1-CB 4.25Å
320T80Confident81.2Confident27 Ų2734.6 Ų34.617%0.16619%0.192CC..  trans-117.41.6178.258.30000114F73 F181F73-T320 HydrophobicContact CZ-CG2 4.33Å; F181-T320 HydrophobicContact CE1-CG2 3.85Å; F181-T320 HydrophobicContact CZ-CG2 4.41Å
321V83.3Confident81.2Confident47 Ų4735.5 Ų35.529%0.28520%0.199SC..  trans-131.7150.1-173.4-57.40000113.7M301 C308 I309M301-V321 HydrophobicContact CG-CG2 3.57Å; C308-V321 CarbonylContact C-O 3.5Å; C308-V321 VanDerWaalsContact CA-O 3.29Å; C308-V321 WeakPolarHBondContact CA-O 3.21Å; I309-V321 PolarHBondContact N-O 3.23Å
322F88.6Confident81.2Confident16 Ų1635.8 Ų35.87%0.0721%0.205CC..  trans-91.4144.7172.7-70.7-82.4000112.1F181 Y182 L185 M288 I309 M310F181-F322 HydrophobicContact CB-CE2 4.27Å; Y182-F322 HydrophobicContact CD2-CE2 4.46Å; Y182-F322 HydrophobicContact CD2-CZ 4.44Å; Y182-F322 HydrophobicContact CE1-CZ 4.17Å; Y182-F322 HydrophobicContact CE2-CE2 4.25Å; Y182-F322 AromaticContact CE2-CZ 3.79Å; Y182-F322 HydrophobicContact CE2-CZ 3.79Å; Y182-F322 AromaticContact CZ-CZ 3.63Å; L185-F322 HydrophobicContact CD1-CD1 4.29Å; L185-F322 HydrophobicContact CD1-CD2 3.53Å; L185-F322 HydrophobicContact CD1-CE1 4.38Å; L185-F322 HydrophobicContact CD1-CE2 3.63Å; L185-F322 HydrophobicContact CD1-CG 3.88Å; L185-F322 HydrophobicContact CD1-CZ 4.07Å; L185-F322 HydrophobicContact CD2-CB 4.12Å; L185-F322 HydrophobicContact CD2-CD2 4.27Å; L185-F322 HydrophobicContact CD2-CG 4.29Å; L185-F322 HydrophobicContact CG-CD2 3.92Å; L185-F322 HydrophobicContact CG-CE2 4.36Å; L185-F322 HydrophobicContact CG-CG 4.38Å; M288-F322 HydrophobicContact CE-CD1 4.37Å; M288-F322 HydrophobicContact CE-CE1 4.12Å; M288-F322 HydrophobicContact SD-CD1 3.72Å; M288-F322 HydrophobicContact SD-CE1 3.73Å; I309-F322 HydrophobicContact CB-CD1 4.17Å; I309-F322 HydrophobicContact CB-CE1 3.96Å; I309-F322 HydrophobicContact CB-CZ 4.28Å; I309-F322 HydrophobicContact CD1-CD2 3.99Å; I309-F322 HydrophobicContact CD1-CE1 4.33Å; I309-F322 HydrophobicContact CD1-CE2 3.65Å; I309-F322 HydrophobicContact CD1-CG 4.47Å; I309-F322 HydrophobicContact CD1-CZ 3.83Å; I309-F322 HydrophobicContact CG2-CD1 4.42Å; I309-F322 HydrophobicContact CG2-CE1 3.73Å; I309-F322 HydrophobicContact CG2-CZ 3.95Å; M310-F322 HydrophobicContact CG-CD1 4.02Å; M310-F322 HydrophobicContact CG-CE1 4.12Å; M310-F322 HydrophobicContact SD-CE1 4.06Å
323S88.4Confident81.8Confident7 Ų734.6 Ų34.65%0.04920%0.198CC..  trans-77170.5179.993.90000112.5D291 C325 S326 K327D291-S323 WeakPolarHBondContact OD1-CB 3.41Å; D291-S323 PolarHBondContact OD1-OG 3.33Å; D291-S323 WeakPolarHBondContact OD2-CB 3.39Å; D291-S323 PolarHBondContact OD2-OG 2.95Å; S323-C325 PolarHBondContact O-N 3.06Å; S323-C325 WeakPolarHBondContact OG-CA 3.37Å; S323-C325 WeakPolarHBondContact OG-CB 3.06Å; S323-C325 PolarHBondContact OG-N 3.39Å; S323-S326 PolarHBondContact N-OG 2.82Å; S323-S326 PolarHBondContact O-N 3.42Å; S323-S326 PolarHBondContact OG-N 2.99Å; S323-S326 VanDerWaalsContact OG-N 3.1Å; S323-S326 PolarHBondContact OG-OG 3.31Å; S323-S326 VanDerWaalsContact OG-OG 3.07Å; S323-K327 WeakPolarHBondContact O-CG 3.39Å; S323-K327 PolarHBondContact O-N 3.24Å; S323-K327 VanDerWaalsContact O-N 3.12Å
324T87.9Confident82.6Confident78 Ų7831.5 Ų31.548%0.47918%0.175SC..Hα-helixtrans-68.4-20.1170.554.10000113.1K328T324-K328 VanDerWaalsContact O-CG 3.31Å; T324-K328 WeakPolarHBondContact O-CG 3.36Å; T324-K328 PolarHBondContact O-N 3.49Å
325C86.8Confident83.3Confident18 Ų1834.6 Ų34.612%0.12219%0.189CC..Hα-helixtrans-76.8-45.9170.2-77.90000111.2D291 C297 S323 K327 K328 D329D291-C325 WeakPolarHBondContact OD1-CB 3.26Å; C297-C325 VanDerWaalsContact CA-SG 3.52Å; C297-C325 HydrophobicContact CB-CB 3.73Å; C297-C325 WeakPolarHBondContact CB-SG 2.97Å; C297-C325 WeakPolarHBondContact SG-CB 3.03Å; C297-C325 CovalentContact SG-SG 2.04Å; C297-C325 PolarHBondContact SG-SG 2.95Å; S323-C325 PolarHBondContact O-N 3.06Å; S323-C325 WeakPolarHBondContact OG-CA 3.37Å; S323-C325 WeakPolarHBondContact OG-CB 3.06Å; S323-C325 PolarHBondContact OG-N 3.39Å; C325-K327 PolarHBondContact O-N 3.15Å; C325-K328 WeakPolarHBondContact O-CB 3.36Å; C325-K328 PolarHBondContact O-N 3.35Å; C325-D329 PolarHBondContact O-N 3.11Å
326S88.1Confident84.1Confident0 Ų035.9 Ų35.90%019%0.187CC..Hα-helixtrans-58-40.1176.8-140000111.2M288 D291 S323 K328 D329 L330M288-S326 VanDerWaalsContact SD-CB 3.59Å; D291-S326 PolarHBondContact OD2-OG 3.46Å; S323-S326 PolarHBondContact N-OG 2.82Å; S323-S326 PolarHBondContact O-N 3.42Å; S323-S326 PolarHBondContact OG-N 2.99Å; S323-S326 VanDerWaalsContact OG-N 3.1Å; S323-S326 PolarHBondContact OG-OG 3.31Å; S323-S326 VanDerWaalsContact OG-OG 3.07Å; S326-K328 PolarHBondContact O-N 3.36Å; S326-D329 PolarHBondContact O-N 3.1Å; S326-L330 WeakPolarHBondContact O-CB 3.3Å; S326-L330 PolarHBondContact O-N 3.19Å
327K90.4Very high84.7Confident96 Ų9633.2 Ų33.242%0.41718%0.177SC..Hα-helixtrans-62.8-35.8173.6-68.8-173.4-171.5-147.30113.8A184 L185 S323 C325 A331A184-K327 PolarHBondContact O-NZ 2.79Å; L185-K327 HydrophobicContact CD2-CD 4.14Å; L185-K327 HydrophobicContact CD2-CG 3.58Å; S323-K327 WeakPolarHBondContact O-CG 3.39Å; S323-K327 PolarHBondContact O-N 3.24Å; S323-K327 VanDerWaalsContact O-N 3.12Å; C325-K327 PolarHBondContact O-N 3.15Å; K327-A331 VanDerWaalsContact O-CB 3.28Å; K327-A331 WeakPolarHBondContact O-CB 3.25Å; K327-A331 PolarHBondContact O-N 3.14Å; K327-A331 VanDerWaalsContact O-N 3.11Å
328K87.8Confident85.4Confident146 Ų14632.5 Ų32.564%0.63517%0.173SC*.Hα-helixtrans-73.9-40.3175.9-75.9173-179.1-177.90112.3T324 C325 S326 A331 A332T324-K328 VanDerWaalsContact O-CG 3.31Å; T324-K328 WeakPolarHBondContact O-CG 3.36Å; T324-K328 PolarHBondContact O-N 3.49Å; C325-K328 WeakPolarHBondContact O-CB 3.36Å; C325-K328 PolarHBondContact O-N 3.35Å; S326-K328 PolarHBondContact O-N 3.36Å; K328-A331 WeakPolarHBondContact O-CB 3.36Å; K328-A331 PolarHBondContact O-N 3.3Å; K328-A332 WeakPolarHBondContact O-CB 3.35Å; K328-A332 PolarHBondContact O-N 2.96Å
329D85.8Confident85.8Confident21 Ų2132.1 Ų32.111%0.11217%0.171CC..Hα-helixtrans-64.4-46.7177.3-72.86000110.4N289 R295 C325 S326 A331 A332 S333N289-D329 WeakPolarHBondContact CB-OD2 3.38Å; N289-D329 PolarHBondContact N-OD2 3.41Å; N289-D329 PolarHBondContact ND2-OD2 3.32Å; R295-D329 IonicContact CZ-OD1 2.93Å; R295-D329 IonicContact CZ-OD2 3.63Å; R295-D329 VanDerWaalsContact CZ-OD2 3.31Å; R295-D329 IonicContact NH1-OD1 2.67Å; R295-D329 PolarHBondContact NH1-OD1 3.15Å; R295-D329 IonicContact NH1-OD2 3.51Å; R295-D329 PolarHBondContact NH1-OD2 3.48Å; R295-D329 IonicContact NH2-OD1 2.79Å; R295-D329 PolarHBondContact NH2-OD1 2.91Å; R295-D329 IonicContact NH2-OD2 2.72Å; R295-D329 PolarHBondContact NH2-OD2 2.94Å; C325-D329 PolarHBondContact O-N 3.11Å; S326-D329 PolarHBondContact O-N 3.1Å; D329-A331 PolarHBondContact O-N 3.47Å; D329-A332 PolarHBondContact O-N 3.33Å; D329-S333 VanDerWaalsContact O-CB 3.24Å; D329-S333 WeakPolarHBondContact O-CB 3.21Å; D329-S333 PolarHBondContact O-N 2.79Å
330L90.1Very high86.1Confident10 Ų1032.4 Ų32.45%0.05217%0.172CC..Hα-helixtrans-55.4-49.4171.917567.3000111.5L185 I187 F286 M288 S326 A332 S333 L334L185-L330 HydrophobicContact CB-CD2 4Å; L185-L330 HydrophobicContact CD1-CD2 4.16Å; L185-L330 HydrophobicContact CD2-CD2 4.34Å; L185-L330 HydrophobicContact CG-CD2 4.42Å; I187-L330 HydrophobicContact CD1-CD1 4.17Å; I187-L330 HydrophobicContact CD1-CD2 4.04Å; F286-L330 HydrophobicContact CB-CD1 3.98Å; F286-L330 HydrophobicContact CD1-CD1 3.64Å; F286-L330 HydrophobicContact CE1-CD1 4.39Å; F286-L330 HydrophobicContact CG-CD1 3.99Å; M288-L330 HydrophobicContact CE-CB 4.15Å; M288-L330 HydrophobicContact CE-CD1 4.29Å; M288-L330 HydrophobicContact CE-CD2 4.27Å; M288-L330 HydrophobicContact CE-CG 4.47Å; M288-L330 HydrophobicContact CG-CB 4.4Å; S326-L330 WeakPolarHBondContact O-CB 3.3Å; S326-L330 PolarHBondContact O-N 3.19Å; L330-A332 VanDerWaalsContact C-N 3.33Å; L330-A332 PolarHBondContact O-N 3.41Å; L330-S333 WeakPolarHBondContact O-CB 3.48Å; L330-S333 PolarHBondContact O-N 3.27Å; L330-S333 VanDerWaalsContact O-N 3.16Å; L330-L334 HydrophobicContact CD1-CD1 4.03Å; L330-L334 HydrophobicContact CD1-CD2 4.38Å; L330-L334 HydrophobicContact CD1-CG 3.99Å; L330-L334 HydrophobicContact CG-CD1 4.1Å; L330-L334 HydrophobicContact CG-CG 4.38Å; L330-L334 WeakPolarHBondContact O-CG 3.47Å; L330-L334 PolarHBondContact O-N 3.27Å
331A88.1Confident86.4Confident18 Ų1832.5 Ų32.515%0.14917%0.174CC..Hα-helixtrans-55.2-46.417800000112.6Q140 K327 K328 D329 E335Q140-A331 HydrophobicContact CG-CB 4.48Å; Q140-A331 VanDerWaalsContact NE2-CB 3.25Å; K327-A331 VanDerWaalsContact O-CB 3.28Å; K327-A331 WeakPolarHBondContact O-CB 3.25Å; K327-A331 PolarHBondContact O-N 3.14Å; K327-A331 VanDerWaalsContact O-N 3.11Å; K328-A331 WeakPolarHBondContact O-CB 3.36Å; K328-A331 PolarHBondContact O-N 3.3Å; D329-A331 PolarHBondContact O-N 3.47Å; A331-E335 WeakPolarHBondContact O-CB 3.36Å; A331-E335 PolarHBondContact O-N 2.96Å; A331-E335 VanDerWaalsContact O-N 3.13Å
332A84.3Confident86.7Confident44 Ų4430.2 Ų30.236%0.36416%0.16SC..Hα-helixtrans-72.2-28.2178.400000113.2K328 D329 L330 K336K328-A332 WeakPolarHBondContact O-CB 3.35Å; K328-A332 PolarHBondContact O-N 2.96Å; D329-A332 PolarHBondContact O-N 3.33Å; L330-A332 VanDerWaalsContact C-N 3.33Å; L330-A332 PolarHBondContact O-N 3.41Å; A332-K336 WeakPolarHBondContact O-CD 3.5Å; A332-K336 VanDerWaalsContact O-CG 3.3Å; A332-K336 WeakPolarHBondContact O-CG 2.99Å; A332-K336 PolarHBondContact O-N 3.45Å
333S85.3Confident86.4Confident0 Ų031.1 Ų31.10%016%0.163CC..Hα-helixtrans-71.4-48.5176.3-1700000111.3F286 D329 L330 E335 K336 G337 V338F286-S333 WeakPolarHBondContact O-CB 3.35Å; F286-S333 PolarHBondContact O-OG 3.38Å; D329-S333 VanDerWaalsContact O-CB 3.24Å; D329-S333 WeakPolarHBondContact O-CB 3.21Å; D329-S333 PolarHBondContact O-N 2.79Å; L330-S333 WeakPolarHBondContact O-CB 3.48Å; L330-S333 PolarHBondContact O-N 3.27Å; L330-S333 VanDerWaalsContact O-N 3.16Å; S333-E335 VanDerWaalsContact C-N 3.32Å; S333-E335 PolarHBondContact O-N 3.13Å; S333-K336 WeakPolarHBondContact O-CB 3.39Å; S333-K336 PolarHBondContact O-N 3.36Å; S333-K336 VanDerWaalsContact O-N 3.11Å; S333-G337 PolarHBondContact O-N 3.16Å; S333-V338 WeakPolarHBondContact O-CB 3.39Å; S333-V338 PolarHBondContact O-N 3.41Å; S333-V338 VanDerWaalsContact O-N 3.15Å; S333-V338 VanDerWaalsContact OG-CB 3.32Å; S333-V338 WeakPolarHBondContact OG-CB 3.11Å; S333-V338 WeakPolarHBondContact OG-CG2 3.43Å
334L88Confident85.7Confident8 Ų833.5 Ų33.54%0.04218%0.175CC..Hα-helixtrans-62.4-36.7174.4-64.1178.2000112L330 K336 G337 V338L330-L334 HydrophobicContact CD1-CD1 4.03Å; L330-L334 HydrophobicContact CD1-CD2 4.38Å; L330-L334 HydrophobicContact CD1-CG 3.99Å; L330-L334 HydrophobicContact CG-CD1 4.1Å; L330-L334 HydrophobicContact CG-CG 4.38Å; L330-L334 WeakPolarHBondContact O-CG 3.47Å; L330-L334 PolarHBondContact O-N 3.27Å; L334-K336 PolarHBondContact O-N 3.11Å; L334-G337 PolarHBondContact O-N 2.74Å; L334-G337 VanDerWaalsContact O-N 3.15Å; L334-V338 VanDerWaalsContact CD2-O 3.28Å; L334-V338 WeakPolarHBondContact CD2-O 3.3Å
335E83.8Confident84.8Confident75 Ų7532.3 Ų32.335%0.3517%0.165SC..Hα-helixtrans-66.1-24.2176.1-172.8165.5-150.400112.9A331 S333A331-E335 WeakPolarHBondContact O-CB 3.36Å; A331-E335 PolarHBondContact O-N 2.96Å; A331-E335 VanDerWaalsContact O-N 3.13Å; S333-E335 VanDerWaalsContact C-N 3.32Å; S333-E335 PolarHBondContact O-N 3.13Å
336K80.4Confident83.7Confident55 Ų5531.7 Ų31.724%0.23916%0.16CC..THydrogen-bonded Turntrans-82.3-8.9173.7-70.8168-178.4-178.90114.2A332 S333 L334 Q461A332-K336 WeakPolarHBondContact O-CD 3.5Å; A332-K336 VanDerWaalsContact O-CG 3.3Å; A332-K336 WeakPolarHBondContact O-CG 2.99Å; A332-K336 PolarHBondContact O-N 3.45Å; S333-K336 WeakPolarHBondContact O-CB 3.39Å; S333-K336 PolarHBondContact O-N 3.36Å; S333-K336 VanDerWaalsContact O-N 3.11Å; L334-K336 PolarHBondContact O-N 3.11Å; K336-Q461 VanDerWaalsContact CE-OE1 3.29Å; K336-Q461 VanDerWaalsContact NZ-CD 3.3Å
337G80Confident82Confident2 Ų237.4 Ų37.42%0.02119%0.187CC..THydrogen-bonded Turntrans96.511.1-174.700000115.1S333 L334 M340 N417S333-G337 PolarHBondContact O-N 3.16Å; L334-G337 PolarHBondContact O-N 2.74Å; L334-G337 VanDerWaalsContact O-N 3.15Å; G337-M340 WeakPolarHBondContact O-CG 3.42Å; G337-M340 VanDerWaalsContact O-SD 3.36Å; G337-N417 VanDerWaalsContact CA-ND2 3.34Å; G337-N417 WeakPolarHBondContact CA-ND2 2.99Å
338V86.3Confident80.1Confident4 Ų433.3 Ų33.32%0.02417%0.17CC..THydrogen-bonded Turntrans-66.8137.1166179.50000108.1M252 M254 S333 L334 I455M252-V338 HydrophobicContact CB-CG2 4.04Å; M252-V338 HydrophobicContact CG-CG2 4.27Å; M254-V338 HydrophobicContact CB-CG1 3.87Å; S333-V338 WeakPolarHBondContact O-CB 3.39Å; S333-V338 PolarHBondContact O-N 3.41Å; S333-V338 VanDerWaalsContact O-N 3.15Å; S333-V338 VanDerWaalsContact OG-CB 3.32Å; S333-V338 WeakPolarHBondContact OG-CB 3.11Å; S333-V338 WeakPolarHBondContact OG-CG2 3.43Å; L334-V338 VanDerWaalsContact CD2-O 3.28Å; L334-V338 WeakPolarHBondContact CD2-O 3.3Å; V338-I455 HydrophobicContact CG2-CD1 3.97Å
339G87.1Confident77.9Confident0 Ų031.8 Ų31.80%016%0.164CC..THydrogen-bonded Turntrans90.123178.600000116.2C255 C341 L342 Y343C255-G339 WeakPolarHBondContact SG-CA 3.4Å; G339-C341 PolarHBondContact O-N 3.12Å; G339-L342 WeakPolarHBondContact O-CB 3.49Å; G339-L342 WeakPolarHBondContact O-CG 3.37Å; G339-L342 PolarHBondContact O-N 2.98Å; G339-Y343 WeakPolarHBondContact O-CE2 3.4Å
340M86.9Confident75.7Confident8 Ų834 Ų344%0.03918%0.178CC..G310 helixtrans-56.6-33.6179.5-58.1-51.6-84.200114.1G337 L342 Y343 D420 N435 Y437G337-M340 WeakPolarHBondContact O-CG 3.42Å; G337-M340 VanDerWaalsContact O-SD 3.36Å; M340-L342 VanDerWaalsContact C-N 3.28Å; M340-L342 PolarHBondContact O-N 3.39Å; M340-Y343 WeakPolarHBondContact O-CD2 3.2Å; M340-D420 HydrophobicContact CE-CB 4.04Å; M340-D420 VanDerWaalsContact CE-CG 3.45Å; M340-D420 VanDerWaalsContact CE-OD1 3.28Å; M340-D420 WeakPolarHBondContact CE-OD1 3.33Å; M340-N435 WeakPolarHBondContact CE-ND2 3.26Å; M340-N435 WeakPolarHBondContact CE-OD1 3.41Å; M340-N435 WeakPolarHBondContact O-CB 3.31Å; M340-N435 PolarHBondContact O-ND2 3.45Å; M340-Y437 HydrophobicContact CB-CD1 3.95Å; M340-Y437 HydrophobicContact CB-CE1 3.94Å; M340-Y437 HydrophobicContact CE-CD1 3.96Å; M340-Y437 HydrophobicContact CE-CG 4.17Å; M340-Y437 HydrophobicContact CG-CD1 4.08Å; M340-Y437 HydrophobicContact CG-CE1 4.32Å
341C87.6Confident73.4Confident29 Ų2934 Ų3420%0.19618%0.178CC..G310 helixtrans-71.1-15.4176.765.90000114.5D231 C255 G339 Y343 N344D231-C341 VanDerWaalsContact OD1-CB 3.3Å; D231-C341 WeakPolarHBondContact OD1-CB 3.28Å; D231-C341 PolarHBondContact OD1-SG 2.89Å; C255-C341 WeakPolarHBondContact CA-SG 3.38Å; C255-C341 HydrophobicContact CB-CB 3.77Å; C255-C341 WeakPolarHBondContact CB-SG 3.32Å; C255-C341 WeakPolarHBondContact SG-CB 3.37Å; C255-C341 PolarHBondContact SG-N 3.27Å; C255-C341 CovalentContact SG-SG 2.02Å; C255-C341 PolarHBondContact SG-SG 3.2Å; G339-C341 PolarHBondContact O-N 3.12Å; C341-Y343 VanDerWaalsContact C-N 3.26Å; C341-Y343 PolarHBondContact O-N 3.39Å; C341-Y343 VanDerWaalsContact O-N 3.15Å; C341-N344 PolarHBondContact O-OD1 3.28Å
342L89.9Confident71.3Confident0 Ų035 Ų350%018%0.178CC..G310 helixtrans-8816.7-166.4-49.9179000114.7K144 Y145 V146 D231 M254 F286 G339 M340K144-L342 WeakPolarHBondContact CA-O 3.19Å; K144-L342 HydrophobicContact CB-CB 4.04Å; K144-L342 HydrophobicContact CB-CD1 4.49Å; K144-L342 HydrophobicContact CD-CB 4.05Å; Y145-L342 PolarHBondContact N-O 2.82Å; Y145-L342 VanDerWaalsContact O-CA 3.28Å; Y145-L342 WeakPolarHBondContact O-CA 3.45Å; Y145-L342 VanDerWaalsContact O-CB 3.3Å; Y145-L342 WeakPolarHBondContact O-CB 3.34Å; Y145-L342 WeakPolarHBondContact O-CD2 3.34Å; V146-L342 HydrophobicContact CB-CD2 4.48Å; V146-L342 HydrophobicContact CG2-CD2 4.09Å; D231-L342 HydrophobicContact CB-CD2 3.92Å; D231-L342 WeakPolarHBondContact OD2-CD2 3.32Å; M254-L342 HydrophobicContact CG-CD1 3.84Å; M254-L342 HydrophobicContact CG-CD2 4.24Å; M254-L342 HydrophobicContact CG-CG 4.35Å; M254-L342 HydrophobicContact SD-CD1 4.47Å; M254-L342 HydrophobicContact SD-CD2 4.03Å; F286-L342 HydrophobicContact CD1-CD1 4.49Å; F286-L342 HydrophobicContact CE1-CD1 3.42Å; F286-L342 VanDerWaalsContact CE1-CD1 3.42Å; F286-L342 HydrophobicContact CZ-CD1 3.88Å; G339-L342 WeakPolarHBondContact O-CB 3.49Å; G339-L342 WeakPolarHBondContact O-CG 3.37Å; G339-L342 PolarHBondContact O-N 2.98Å; M340-L342 VanDerWaalsContact C-N 3.28Å; M340-L342 PolarHBondContact O-N 3.39Å
343Y81.3Confident69.3Low35 Ų3533.2 Ų33.214%0.13716%0.164CC..G310 helixtrans-105.1-18.1-173.5-72.1-96.3000113.5K144 G339 M340 C341 M345 N435K144-Y343 HydrophobicContact CD-CD2 4.49Å; K144-Y343 HydrophobicContact CD-CE1 4.33Å; K144-Y343 HydrophobicContact CD-CE2 4.27Å; K144-Y343 VanDerWaalsContact CE-CZ 3.41Å; K144-Y343 WeakPolarHBondContact CE-OH 3.5Å; G339-Y343 WeakPolarHBondContact O-CE2 3.4Å; M340-Y343 WeakPolarHBondContact O-CD2 3.2Å; C341-Y343 VanDerWaalsContact C-N 3.26Å; C341-Y343 PolarHBondContact O-N 3.39Å; C341-Y343 VanDerWaalsContact O-N 3.15Å; Y343-M345 PolarHBondContact O-N 3.39Å; Y343-N435 HydrophobicContact CD2-CB 4Å; Y343-N435 WeakPolarHBondContact CD2-ND2 3.46Å; Y343-N435 VanDerWaalsContact CE2-ND2 3.3Å; Y343-N435 WeakPolarHBondContact CE2-ND2 3.24Å; Y343-N435 HydrophobicContact CG-CB 4.06Å
344N73.6Confident67.5Low56 Ų5635.4 Ų35.430%0.29919%0.187SC..SBendtrans-69.3123.8163.435.9-76.1000109.1C341 P346C341-N344 PolarHBondContact O-OD1 3.28Å; N344-P346 WeakPolarHBondContact O-CD 3.42Å
345M69.6Low65.9Low54 Ų5441.4 Ų41.427%0.26622%0.215SC..PPolyproline II helixtrans-67.8121.5157.8-175.2168.5-177.400106.4Y145 Y343 E347 Y361Y145-M345 HydrophobicContact CD2-CB 4.26Å; Y145-M345 HydrophobicContact CE1-CG 4.01Å; Y145-M345 HydrophobicContact CE2-CB 3.94Å; Y145-M345 HydrophobicContact CE2-CG 4.15Å; Y343-M345 PolarHBondContact O-N 3.39Å; M345-E347 PolarHBondContact O-N 2.98Å; M345-Y361 HydrophobicContact CE-CD1 3.93Å
346P63.6Low64.9Low4 Ų441.6 Ų41.63%0.02621%0.214CC..PPolyproline II helixtrans-58.5133.4177.622-31.4000108.4A23 Y145 E147 A190 N344 V348A23-P346 HydrophobicContact CB-CB 4.49Å; Y145-P346 HydrophobicContact CD1-CG 4.38Å; E147-P346 HydrophobicContact CG-CB 4.47Å; A190-P346 HydrophobicContact CB-CG 3.89Å; N344-P346 WeakPolarHBondContact O-CD 3.42Å; P346-V348 PolarHBondContact O-N 2.98Å
347E51.4Low64.5Low120 Ų12040.3 Ų40.356%0.56121%0.212SC*.PPolyproline II helixtrans-59.7118.4172.9-67.6-170.414000108S24 M345 K349S24-E347 WeakPolarHBondContact CB-O 3.42Å; S24-E347 PolarHBondContact N-O 2.85Å; S24-E347 PolarHBondContact OG-O 2.9Å; M345-E347 PolarHBondContact O-N 2.98Å; E347-K349 HydrophobicContact CB-CD 4.45Å; E347-K349 HydrophobicContact CB-CG 4.43Å; E347-K349 WeakPolarHBondContact OE1-CE 3.37Å; E347-K349 IonicContact OE1-NZ 2.59Å; E347-K349 PolarHBondContact OE1-NZ 3.26Å; E347-K349 WeakPolarHBondContact OE2-CE 3.41Å; E347-K349 IonicContact OE2-NZ 2.68Å; E347-K349 PolarHBondContact OE2-NZ 3.31Å
348V51.3Low64Low10 Ų1040.4 Ų40.46%0.06121%0.213CC..  trans-10441179.1-77.70000111P346 V350 L351 Y361 V362P346-V348 PolarHBondContact O-N 2.98Å; V348-V350 PolarHBondContact O-N 2.94Å; V348-V350 VanDerWaalsContact O-N 3.12Å; V348-L351 HydrophobicContact CB-CD1 4.05Å; V348-L351 HydrophobicContact CB-CG 4.16Å; V348-L351 HydrophobicContact CG1-CD1 4.16Å; V348-L351 HydrophobicContact CG1-CG 4.22Å; V348-Y361 HydrophobicContact CB-CD1 4.45Å; V348-Y361 HydrophobicContact CG1-CD1 3.87Å; V348-Y361 HydrophobicContact CG1-CE1 4.29Å; V348-Y361 HydrophobicContact CG2-CD1 4.03Å; V348-Y361 HydrophobicContact CG2-CG 4.49Å; V348-V362 WeakPolarHBondContact CG2-O 3.43Å
349K41.8Very low62.9Low114 Ų11441 Ų4150%0.49622%0.216SC..SBendtrans-49.9-35.8177.1-73.8170.3176.6159.20113.2E347 E364E347-K349 HydrophobicContact CB-CD 4.45Å; E347-K349 HydrophobicContact CB-CG 4.43Å; E347-K349 WeakPolarHBondContact OE1-CE 3.37Å; E347-K349 IonicContact OE1-NZ 2.59Å; E347-K349 PolarHBondContact OE1-NZ 3.26Å; E347-K349 WeakPolarHBondContact OE2-CE 3.41Å; E347-K349 IonicContact OE2-NZ 2.68Å; E347-K349 PolarHBondContact OE2-NZ 3.31Å; K349-E364 WeakPolarHBondContact O-CB 3.41Å; K349-E364 PolarHBondContact O-N 3.26Å
350V39.4Very low62.1Low68 Ų6842.7 Ų42.741%0.41223%0.234SC..SBendtrans-134.4100.5171.1-174.20000108.7S24 V348S24-V350 WeakPolarHBondContact CA-O 3.43Å; V348-V350 PolarHBondContact O-N 2.94Å; V348-V350 VanDerWaalsContact O-N 3.12Å
351L41.8Very low61.2Low10 Ų1042.5 Ų42.55%0.05223%0.233CC..  trans-80.3129.1165.2-103.2165000108.8F22 V348 G353 Y361 E363F22-L351 WeakPolarHBondContact O-CD2 3.49Å; V348-L351 HydrophobicContact CB-CD1 4.05Å; V348-L351 HydrophobicContact CB-CG 4.16Å; V348-L351 HydrophobicContact CG1-CD1 4.16Å; V348-L351 HydrophobicContact CG1-CG 4.22Å; L351-G353 VanDerWaalsContact C-N 3.28Å; L351-G353 PolarHBondContact O-N 3.36Å; L351-Y361 HydrophobicContact CD1-CD1 4.41Å; L351-Y361 HydrophobicContact CD1-CD2 4.08Å; L351-Y361 HydrophobicContact CD1-CG 3.8Å; L351-E363 HydrophobicContact CB-CG 4.07Å; L351-E363 WeakPolarHBondContact CB-OE1 3.28Å; L351-E363 HydrophobicContact CD1-CG 3.95Å; L351-E363 WeakPolarHBondContact CD1-OE1 3.45Å
352Y43.1Very low60.6Low38 Ų3843.5 Ų43.515%0.14924%0.238CC..THydrogen-bonded Turntrans-73.280.9-174.4-89.2-70.9000112Y26 T41 H42 N47Y26-Y352 HydrophobicContact CD1-CD2 4.06Å; Y26-Y352 HydrophobicContact CD1-CE2 4.2Å; T41-Y352 WeakPolarHBondContact CB-OH 3.43Å; H42-Y352 WeakPolarHBondContact O-CE1 3.46Å; H42-Y352 PolarHBondContact O-OH 2.82Å; N47-Y352 WeakPolarHBondContact CA-O 3.37Å; N47-Y352 WeakPolarHBondContact CB-O 3.42Å
353G43.5Very low59.5Low8 Ų844.1 Ų44.18%0.08224%0.241CC..THydrogen-bonded Turntrans179.210.8174.400000118.7T45 L351T45-G353 CarbonylContact O-C 3.6Å; T45-G353 VanDerWaalsContact O-C 3.31Å; L351-G353 VanDerWaalsContact C-N 3.28Å; L351-G353 PolarHBondContact O-N 3.36Å
354G47.7Very low58.7Low46 Ų4648.3 Ų48.347%0.47426%0.261SS..  trans81.6149.8-166.600000111.4K356G354-K356 PolarHBondContact O-N 3.02Å
355Q54Low58.7Low134 Ų13449 Ų4963%0.62628%0.282SS*.  trans-60.2122.5176.8-67.6159.1-5.600109.3E363 E364Q355-E363 VanDerWaalsContact CA-OE2 3.22Å; Q355-E363 WeakPolarHBondContact CA-OE2 3.22Å; Q355-E364 VanDerWaalsContact CG-O 3.22Å; Q355-E364 WeakPolarHBondContact CG-O 3.42Å; Q355-E364 PolarHBondContact NE2-O 2.8Å
356K61.8Low59.3Low78 Ų7847.8 Ų47.834%0.33928%0.276SS..  trans-14895.7179-166.3-163.1171.9-161.50113.9Q18 G354 N359 E363Q18-K356 HydrophobicContact CB-CD 4.47Å; Q18-K356 VanDerWaalsContact OE1-NZ 3.1Å; G354-K356 PolarHBondContact O-N 3.02Å; K356-N359 PolarHBondContact O-ND2 2.76Å; K356-E363 PolarHBondContact N-OE2 2.96Å
357C72.6Confident60.3Low29 Ų2952.9 Ų52.920%0.19630%0.299CS..THydrogen-bonded Turntrans-43.8133.1165.6-176.20000114.6E366 A383 C386C357-E366 WeakPolarHBondContact CA-OE1 3.24Å; C357-E366 WeakPolarHBondContact CB-OE1 3.32Å; C357-E366 PolarHBondContact N-OE1 3.11Å; C357-A383 PolarHBondContact SG-O 3.23Å; C357-C386 WeakPolarHBondContact CA-SG 3.4Å; C357-C386 HydrophobicContact CB-CB 3.53Å; C357-C386 WeakPolarHBondContact CB-SG 3.23Å; C357-C386 VanDerWaalsContact SG-CA 3.55Å; C357-C386 WeakPolarHBondContact SG-CB 3.47Å; C357-C386 PolarHBondContact SG-N 3.04Å; C357-C386 CovalentContact SG-SG 2.03Å; C357-C386 PolarHBondContact SG-SG 2.97Å
358G70.7Confident61.9Low4 Ų447.1 Ų47.14%0.04127%0.272CS..THydrogen-bonded Turntrans103.17.5175.600000114.1D369 G371 E372G358-D369 WeakPolarHBondContact CA-OD1 3.31Å; G358-D369 PolarHBondContact N-OD1 3.39Å; G358-D369 PolarHBondContact N-OD2 3.25Å; G358-G371 CarbonylContact O-C 3.56Å; G358-G371 WeakPolarHBondContact O-CA 3.47Å; G358-E372 PolarHBondContact O-N 2.95Å
359N62.6Low63.3Low15 Ų1546.9 Ų46.98%0.0827%0.27CS..SBendtrans-94.7-10.9-177.382.847.9000114.2Q18 K356 Y361 E363 D369Q18-N359 WeakPolarHBondContact O-CB 3.07Å; K356-N359 PolarHBondContact O-ND2 2.76Å; N359-Y361 VanDerWaalsContact OD1-CB 3.3Å; N359-Y361 WeakPolarHBondContact OD1-CB 3.47Å; N359-Y361 WeakPolarHBondContact OD1-CD2 3.05Å; N359-Y361 PolarHBondContact OD1-N 2.78Å; N359-E363 PolarHBondContact ND2-OE1 2.8Å; N359-D369 PolarHBondContact N-OD1 3.19Å; N359-D369 PolarHBondContact N-OD2 3.33Å
360G69.6Low65.1Low36 Ų3642.6 Ų42.637%0.37126%0.255SS..SBendtrans87.814.4177.100000115.4D369G360-D369 WeakPolarHBondContact CA-OD1 3.32Å; G360-D369 PolarHBondContact N-OD1 3.45Å; G360-D369 PolarHBondContact N-OD2 2.87Å
361Y69Low66.5Low5 Ų539.8 Ų39.82%0.0224%0.24CC..SBendtrans-126.7135.6174.8-70.3-89.6000109.8G20 R188 M345 V348 L351 N359 E363 D369G20-Y361 VanDerWaalsContact O-CE2 3.32Å; G20-Y361 WeakPolarHBondContact O-CE2 3.25Å; G20-Y361 PolarHBondContact O-OH 3.46Å; R188-Y361 PolarHBondContact NH1-OH 2.87Å; R188-Y361 PolarHBondContact NH2-OH 2.88Å; M345-Y361 HydrophobicContact CE-CD1 3.93Å; V348-Y361 HydrophobicContact CB-CD1 4.45Å; V348-Y361 HydrophobicContact CG1-CD1 3.87Å; V348-Y361 HydrophobicContact CG1-CE1 4.29Å; V348-Y361 HydrophobicContact CG2-CD1 4.03Å; V348-Y361 HydrophobicContact CG2-CG 4.49Å; L351-Y361 HydrophobicContact CD1-CD1 4.41Å; L351-Y361 HydrophobicContact CD1-CD2 4.08Å; L351-Y361 HydrophobicContact CD1-CG 3.8Å; N359-Y361 VanDerWaalsContact OD1-CB 3.3Å; N359-Y361 WeakPolarHBondContact OD1-CB 3.47Å; N359-Y361 WeakPolarHBondContact OD1-CD2 3.05Å; N359-Y361 PolarHBondContact OD1-N 2.78Å; Y361-E363 PolarHBondContact O-N 2.96Å; Y361-D369 VanDerWaalsContact O-CB 3.32Å; Y361-D369 WeakPolarHBondContact O-CB 3.44Å
362V73.6Confident67.6Low50 Ų5042 Ų4230%0.30325%0.249SC..  trans-82.7107.4177.9-172.40000109.2V348 E366V348-V362 WeakPolarHBondContact CG2-O 3.43Å; V362-E366 HydrophobicContact CG1-CB 4.31Å; V362-E366 WeakPolarHBondContact CG1-O 3.18Å
363E67.1Low69.2Low13 Ų1342.8 Ų42.86%0.06126%0.259CS..  trans-92.3168.5-177.3-65.5173.316700112.1L351 Q355 K356 N359 Y361 G365 E366L351-E363 HydrophobicContact CB-CG 4.07Å; L351-E363 WeakPolarHBondContact CB-OE1 3.28Å; L351-E363 HydrophobicContact CD1-CG 3.95Å; L351-E363 WeakPolarHBondContact CD1-OE1 3.45Å; Q355-E363 VanDerWaalsContact CA-OE2 3.22Å; Q355-E363 WeakPolarHBondContact CA-OE2 3.22Å; K356-E363 PolarHBondContact N-OE2 2.96Å; N359-E363 PolarHBondContact ND2-OE1 2.8Å; Y361-E363 PolarHBondContact O-N 2.96Å; E363-G365 PolarHBondContact O-N 2.03Å; E363-E366 HydrophobicContact CB-CG 4.46Å; E363-E366 PolarHBondContact N-OE2 3.44Å; E363-E366 PolarHBondContact O-N 3.39Å
364E64.1Low70.4Confident123 Ų12350.4 Ų50.458%0.57529%0.293SS*.THydrogen-bonded Turntrans-58.9129.7172.8174.4171.7-151.100110.5K349 Q355K349-E364 WeakPolarHBondContact O-CB 3.41Å; K349-E364 PolarHBondContact O-N 3.26Å; Q355-E364 VanDerWaalsContact CG-O 3.22Å; Q355-E364 WeakPolarHBondContact CG-O 3.42Å; Q355-E364 PolarHBondContact NE2-O 2.8Å
365G73.4Confident71.1Confident71 Ų7153.1 Ų53.173%0.73229%0.293SS*.THydrogen-bonded Turntrans92.7-11.3-175.300000114.5E363E363-G365 PolarHBondContact O-N 2.03Å
366E82.4Confident72.3Confident28 Ų2848 Ų4813%0.13127%0.272CS..  trans-102.1147.6174-58.4-173.7157.700111.3C357 V362 E363 C386C357-E366 WeakPolarHBondContact CA-OE1 3.24Å; C357-E366 WeakPolarHBondContact CB-OE1 3.32Å; C357-E366 PolarHBondContact N-OE1 3.11Å; V362-E366 HydrophobicContact CG1-CB 4.31Å; V362-E366 WeakPolarHBondContact CG1-O 3.18Å; E363-E366 HydrophobicContact CB-CG 4.46Å; E363-E366 PolarHBondContact N-OE2 3.44Å; E363-E366 PolarHBondContact O-N 3.39Å; E366-C386 HydrophobicContact CB-CB 4.04Å; E366-C386 HydrophobicContact CG-CB 3.86Å
367E84.9Confident73.2Confident110 Ų11053 Ų5351%0.51430%0.299SS..SBendtrans-101.4-21.9175.5-53.5178.813300111.5C386 T387 L388E367-C386 PolarHBondContact N-O 3.36Å; E367-T387 WeakPolarHBondContact OE2-CA 3.45Å; E367-T387 WeakPolarHBondContact OE2-CB 3.28Å; E367-L388 HydrophobicContact CB-CB 4.42Å; E367-L388 HydrophobicContact CB-CD1 3.91Å; E367-L388 HydrophobicContact CB-CG 3.71Å; E367-L388 PolarHBondContact OE2-N 3.38Å
368C85Confident73.7Confident0 Ų053.1 Ų53.10%030%0.297CS..  trans-164.5145.717763.70000111.7C381 C386 T387 L388 A395C368-C381 HydrophobicContact CB-CB 3.82Å; C368-C381 WeakPolarHBondContact CB-SG 3.47Å; C368-C381 PolarHBondContact O-SG 2.9Å; C368-C381 WeakPolarHBondContact SG-CA 3.37Å; C368-C381 WeakPolarHBondContact SG-CB 3.47Å; C368-C381 CovalentContact SG-SG 2.04Å; C368-C381 PolarHBondContact SG-SG 2.99Å; C368-C386 PolarHBondContact N-O 3.32Å; C368-C386 CarbonylContact O-C 3.54Å; C368-C386 WeakPolarHBondContact O-CA 3.4Å; C368-C386 WeakPolarHBondContact O-CB 3.44Å; C368-C386 PolarHBondContact O-SG 3.23Å; C368-C386 VanDerWaalsContact O-SG 3.32Å; C368-T387 VanDerWaalsContact SG-C 3.52Å; C368-T387 PolarHBondContact SG-O 3.34Å; C368-L388 HydrophobicContact CB-CD2 4.13Å; C368-A395 HydrophobicContact CB-CB 3.51Å
369D81.4Confident74.7Confident4 Ų457.4 Ų57.42%0.02133%0.325CS..  trans-133.8118.8167-174.1-26.2000109.4G358 N359 G360 Y361 G371 H396G358-D369 WeakPolarHBondContact CA-OD1 3.31Å; G358-D369 PolarHBondContact N-OD1 3.39Å; G358-D369 PolarHBondContact N-OD2 3.25Å; N359-D369 PolarHBondContact N-OD1 3.19Å; N359-D369 PolarHBondContact N-OD2 3.33Å; G360-D369 WeakPolarHBondContact CA-OD1 3.32Å; G360-D369 PolarHBondContact N-OD1 3.45Å; G360-D369 PolarHBondContact N-OD2 2.87Å; Y361-D369 VanDerWaalsContact O-CB 3.32Å; Y361-D369 WeakPolarHBondContact O-CB 3.44Å; D369-G371 PolarHBondContact OD1-N 3.41Å; D369-H396 PolarHBondContact O-CE1 3.36Å; D369-H396 PolarHBondContact O-ND1 3.27Å; D369-H396 PolarHBondContact O-NE2 2.81Å
370C78.8Confident76.1Confident25 Ų2557.1 Ų57.117%0.16932%0.323CS..  trans-110.513-177.953.20000113.5C376 N378 C381C370-C376 HydrophobicContact CB-CB 3.87Å; C370-C376 WeakPolarHBondContact CB-SG 3.48Å; C370-C376 WeakPolarHBondContact SG-CB 3.44Å; C370-C376 CovalentContact SG-SG 2.03Å; C370-C376 PolarHBondContact SG-SG 2.6Å; C370-N378 HydrophobicContact CB-CB 3.68Å; C370-C381 HydrophobicContact CB-CB 4.14Å
371G69.7Low77.2Confident9 Ų955.7 Ų55.79%0.09331%0.308CS..SBendtrans86.5177.2-165.500000112.9G358 D369G358-G371 CarbonylContact O-C 3.56Å; G358-G371 WeakPolarHBondContact O-CA 3.47Å; D369-G371 PolarHBondContact OD1-N 3.41Å
372E65.1Low78.3Confident55 Ų5558.4 Ų58.426%0.25732%0.323SS..SBendtrans-56.1156.8178.2-62-75.7177.900112.5G358 E374 E375 C376G358-E372 PolarHBondContact O-N 2.95Å; E372-E374 PolarHBondContact O-N 2.9Å; E372-E374 VanDerWaalsContact O-N 3.08Å; E372-E375 PolarHBondContact O-N 3.39Å; E372-C376 PolarHBondContact O-N 3.08Å
373P77.3Confident78.8Confident56 Ų5656.6 Ų56.636%0.36431%0.313SS..THydrogen-bonded Turntrans-55.1-29.3-175.5-27.636.2000116.2E375 A383P373-E375 VanDerWaalsContact C-N 3.35Å; P373-A383 HydrophobicContact CB-CB 4.21Å; P373-A383 HydrophobicContact CG-CB 4.07Å
374E67.9Low79.7Confident168 Ų16861 Ų6179%0.78534%0.341SS*.THydrogen-bonded Turntrans-76.3-21.3178-63.872-158.500113.2E372E372-E374 PolarHBondContact O-N 2.9Å; E372-E374 VanDerWaalsContact O-N 3.08Å
375E62.5Low80.8Confident103 Ų10358.6 Ų58.648%0.48133%0.334SS..THydrogen-bonded Turntrans-107.6-24-176.5-55.1-156.4136.200113.4K17 E372 P373 M377K17-E375 VanDerWaalsContact CE-OE2 3.3Å; K17-E375 WeakPolarHBondContact CE-OE2 3.41Å; K17-E375 IonicContact NZ-OE1 2.72Å; K17-E375 PolarHBondContact NZ-OE1 2.95Å; K17-E375 IonicContact NZ-OE2 3.76Å; K17-E375 PolarHBondContact NZ-OE2 2.89Å; E372-E375 PolarHBondContact O-N 3.39Å; P373-E375 VanDerWaalsContact C-N 3.35Å; E375-M377 PolarHBondContact O-N 2.81Å
376C79.7Confident81.5Confident26 Ų2655.2 Ų55.218%0.17630%0.299CS..  trans-65.292.6-179.2-179.80000111.7C370 E372 N378 A383C370-C376 HydrophobicContact CB-CB 3.87Å; C370-C376 WeakPolarHBondContact CB-SG 3.48Å; C370-C376 WeakPolarHBondContact SG-CB 3.44Å; C370-C376 CovalentContact SG-SG 2.03Å; C370-C376 PolarHBondContact SG-SG 2.6Å; E372-C376 PolarHBondContact O-N 3.08Å; C376-N378 PolarHBondContact O-N 2.98Å; C376-A383 HydrophobicContact CB-CB 3.55Å
377M80.3Confident82Confident183 Ų18356.4 Ų56.490%0.90131%0.309SS*.  trans-78.22.7168.9-57.4-164.477.500112.9E375 P379E375-M377 PolarHBondContact O-N 2.81Å; M377-P379 WeakPolarHBondContact O-CD 3.06Å
378N83.6Confident82.3Confident32 Ų3252.8 Ų52.817%0.17129%0.293CS..  trans-84.5111-174.8-166.1-29.2000111C370 C376 C380 C381 A395 H396C370-N378 HydrophobicContact CB-CB 3.68Å; C376-N378 PolarHBondContact O-N 2.98Å; N378-C380 PolarHBondContact O-N 3.01Å; N378-C380 VanDerWaalsContact O-N 3.17Å; N378-C380 VanDerWaalsContact OD1-CB 3.25Å; N378-C380 WeakPolarHBondContact OD1-CB 3.46Å; N378-C380 PolarHBondContact OD1-N 3.13Å; N378-C380 PolarHBondContact OD1-SG 2.95Å; N378-C381 HydrophobicContact CB-CB 4.43Å; N378-C381 PolarHBondContact O-N 2.03Å; N378-A395 PolarHBondContact ND2-O 2.85Å; N378-H396 PolarHBondContact ND2-CD2 3.38Å; N378-H396 VanDerWaalsContact ND2-CD2 3.34Å; N378-H396 PolarHBondContact ND2-NE2 2.98Å
379P89.9Confident82.7Confident94 Ų9459.1 Ų59.161%0.6132%0.32SS*.THydrogen-bonded Turntrans-68.8-16.3-177.530.3-35.9000113.3M377 K389M377-P379 WeakPolarHBondContact O-CD 3.06Å; P379-K389 WeakPolarHBondContact O-CD 3.38Å
380C93.7Very high83.1Confident8 Ų862.4 Ų62.45%0.05436%0.355CS..THydrogen-bonded Turntrans-88.3-17.1-173.7-490000113.8N378 K389 A392 C394 A395 C403N378-C380 PolarHBondContact O-N 3.01Å; N378-C380 VanDerWaalsContact O-N 3.17Å; N378-C380 VanDerWaalsContact OD1-CB 3.25Å; N378-C380 WeakPolarHBondContact OD1-CB 3.46Å; N378-C380 PolarHBondContact OD1-N 3.13Å; N378-C380 PolarHBondContact OD1-SG 2.95Å; C380-K389 WeakPolarHBondContact O-CB 3.38Å; C380-K389 PolarHBondContact O-N 3.17Å; C380-A392 HydrophobicContact CB-CB 4.36Å; C380-C394 WeakPolarHBondContact CB-O 3.42Å; C380-A395 HydrophobicContact CB-CB 3.85Å; C380-C403 WeakPolarHBondContact CA-SG 3.21Å; C380-C403 HydrophobicContact CB-CB 3.56Å; C380-C403 WeakPolarHBondContact CB-SG 3.23Å; C380-C403 WeakPolarHBondContact SG-CA 3.34Å; C380-C403 WeakPolarHBondContact SG-CB 3.21Å; C380-C403 PolarHBondContact SG-N 2.97Å; C380-C403 VanDerWaalsContact SG-N 3.39Å; C380-C403 CovalentContact SG-SG 2.03Å; C380-C403 PolarHBondContact SG-SG 3.33Å
381C92.4Very high83.5Confident7 Ų768 Ų685%0.04738%0.384CS..EExtended strand (participates in β ladder)trans-113.3139.1-174.2-166.60000111.4C368 C370 N378 A383 A395C368-C381 HydrophobicContact CB-CB 3.82Å; C368-C381 WeakPolarHBondContact CB-SG 3.47Å; C368-C381 PolarHBondContact O-SG 2.9Å; C368-C381 WeakPolarHBondContact SG-CA 3.37Å; C368-C381 WeakPolarHBondContact SG-CB 3.47Å; C368-C381 CovalentContact SG-SG 2.04Å; C368-C381 PolarHBondContact SG-SG 2.99Å; C370-C381 HydrophobicContact CB-CB 4.14Å; N378-C381 HydrophobicContact CB-CB 4.43Å; N378-C381 PolarHBondContact O-N 2.03Å; C381-A383 PolarHBondContact O-N 3.49Å; C381-A395 HydrophobicContact CB-CB 3.93Å
382N91.1Very high84.7Confident62 Ų6268.3 Ų68.333%0.33239%0.385SS..EExtended strand (participates in β ladder)trans-91.892.6169.8-175.12.5000109.7T384 T385 C386 T387N382-T384 PolarHBondContact O-N 2.98Å; N382-T384 PolarHBondContact OD1-N 2.84Å; N382-T385 WeakPolarHBondContact CB-OG1 3.49Å; N382-T385 PolarHBondContact ND2-OG1 3.13Å; N382-T385 PolarHBondContact O-N 3.36Å; N382-C386 PolarHBondContact O-N 2.85Å; N382-T387 WeakPolarHBondContact CB-O 3.41Å; N382-T387 PolarHBondContact N-O 2.78Å
383A85.7Confident86Confident11 Ų1169.4 Ų69.49%0.09140%0.395CS..THydrogen-bonded Turntrans-54.1-16.3-178.900000116.2C357 P373 C376 C381C357-A383 PolarHBondContact SG-O 3.23Å; P373-A383 HydrophobicContact CB-CB 4.21Å; P373-A383 HydrophobicContact CG-CB 4.07Å; C376-A383 HydrophobicContact CB-CB 3.55Å; C381-A383 PolarHBondContact O-N 3.49Å
384T85.1Confident86.6Confident107 Ų10767 Ų6766%0.65638%0.379SS*.THydrogen-bonded Turntrans-87.8-16.6176.9-46.70000112.7N382N382-T384 PolarHBondContact O-N 2.98Å; N382-T384 PolarHBondContact OD1-N 2.84Å
385T87.8Confident87.5Confident71 Ų7159.6 Ų59.644%0.43635%0.347SS..THydrogen-bonded Turntrans-132.8-9.9-173.660.50000114.4N382 T387N382-T385 WeakPolarHBondContact CB-OG1 3.49Å; N382-T385 PolarHBondContact ND2-OG1 3.13Å; N382-T385 PolarHBondContact O-N 3.36Å; T385-T387 PolarHBondContact O-N 2.66Å; T385-T387 PolarHBondContact OG1-OG1 3.18Å
386C88.4Confident88.4Confident0 Ų057.1 Ų57.10%034%0.335CS..THydrogen-bonded Turntrans52.434.6-175.6-72.30000114.1C357 E366 E367 C368 N382C357-C386 WeakPolarHBondContact CA-SG 3.4Å; C357-C386 HydrophobicContact CB-CB 3.53Å; C357-C386 WeakPolarHBondContact CB-SG 3.23Å; C357-C386 VanDerWaalsContact SG-CA 3.55Å; C357-C386 WeakPolarHBondContact SG-CB 3.47Å; C357-C386 PolarHBondContact SG-N 3.04Å; C357-C386 CovalentContact SG-SG 2.03Å; C357-C386 PolarHBondContact SG-SG 2.97Å; E366-C386 HydrophobicContact CB-CB 4.04Å; E366-C386 HydrophobicContact CG-CB 3.86Å; E367-C386 PolarHBondContact N-O 3.36Å; C368-C386 PolarHBondContact N-O 3.32Å; C368-C386 CarbonylContact O-C 3.54Å; C368-C386 WeakPolarHBondContact O-CA 3.4Å; C368-C386 WeakPolarHBondContact O-CB 3.44Å; C368-C386 PolarHBondContact O-SG 3.23Å; C368-C386 VanDerWaalsContact O-SG 3.32Å; N382-C386 PolarHBondContact O-N 2.85Å
387T91.3Very high88.4Confident54 Ų5457.6 Ų57.633%0.33135%0.345SS..EExtended strand (participates in β ladder)trans-109.4154.5171.959.70000110.6E367 C368 N382 T385E367-T387 WeakPolarHBondContact OE2-CA 3.45Å; E367-T387 WeakPolarHBondContact OE2-CB 3.28Å; C368-T387 VanDerWaalsContact SG-C 3.52Å; C368-T387 PolarHBondContact SG-O 3.34Å; N382-T387 WeakPolarHBondContact CB-O 3.41Å; N382-T387 PolarHBondContact N-O 2.78Å; T385-T387 PolarHBondContact O-N 2.66Å; T385-T387 PolarHBondContact OG1-OG1 3.18Å
388L92.7Very high88.7Confident33 Ų3351.8 Ų51.817%0.17332%0.316CS..EExtended strand (participates in β ladder)trans-68.1141.8175.8-72.7166.7000110.4E367 C368 A392 C394 A395E367-L388 HydrophobicContact CB-CB 4.42Å; E367-L388 HydrophobicContact CB-CD1 3.91Å; E367-L388 HydrophobicContact CB-CG 3.71Å; E367-L388 PolarHBondContact OE2-N 3.38Å; C368-L388 HydrophobicContact CB-CD2 4.13Å; L388-A392 HydrophobicContact CB-CB 4Å; L388-A392 HydrophobicContact CD2-CB 4.07Å; L388-C394 VanDerWaalsContact CD2-C 3.46Å; L388-A395 HydrophobicContact CD2-CB 3.89Å
389K91.9Very high89.1Confident133 Ų13350.3 Ų50.358%0.57831%0.308SS*.  trans-91.5111.8-172.5-168.1178.7-176176.10111.4P379 C380 D391 A392P379-K389 WeakPolarHBondContact O-CD 3.38Å; C380-K389 WeakPolarHBondContact O-CB 3.38Å; C380-K389 PolarHBondContact O-N 3.17Å; K389-D391 PolarHBondContact O-N 3.29Å; K389-A392 WeakPolarHBondContact O-CB 3.4Å; K389-A392 PolarHBondContact O-N 3.2Å
390G89.6Confident89.1Confident73 Ų7346.8 Ų46.875%0.75329%0.285SS*.THydrogen-bonded Turntrans66.1-128.9178.600000111.2A392G390-A392 PolarHBondContact O-N 3.48Å
391D88.5Confident89.1Confident144 Ų14451.8 Ų51.877%0.7731%0.308SS*.THydrogen-bonded Turntrans-8215.3179.9-55.5-34.9000113.5K389 V393 K404K389-D391 PolarHBondContact O-N 3.29Å; D391-V393 PolarHBondContact O-N 2.95Å; D391-K404 PolarHBondContact O-NZ 3.39Å
392A93.9Very high89Confident14 Ų1458.6 Ų58.612%0.11634%0.344CS..  trans-61.5134.9178.500000110.9C380 L388 K389 G390 C403C380-A392 HydrophobicContact CB-CB 4.36Å; L388-A392 HydrophobicContact CB-CB 4Å; L388-A392 HydrophobicContact CD2-CB 4.07Å; K389-A392 WeakPolarHBondContact O-CB 3.4Å; K389-A392 PolarHBondContact O-N 3.2Å; G390-A392 PolarHBondContact O-N 3.48Å; A392-C403 HydrophobicContact CB-CB 3.7Å
393V92.5Very high89.1Confident79 Ų7956.9 Ų56.948%0.47934%0.336SS..SBendtrans-104.8-20177.8-177.10000110.7D391 C403 K404 L405D391-V393 PolarHBondContact O-N 2.95Å; V393-C403 PolarHBondContact N-O 3.08Å; V393-K404 HydrophobicContact CG2-CD 3.93Å; V393-L405 HydrophobicContact CG1-CD1 4.11Å; V393-L405 HydrophobicContact CG1-CG 3.97Å
394C90.6Very high89.5Confident4 Ų461 Ų613%0.02735%0.352CS..  trans-152.8163.817661.10000110.3C380 L388 C400 C403 K404 L405 P430C380-C394 WeakPolarHBondContact CB-O 3.42Å; L388-C394 VanDerWaalsContact CD2-C 3.46Å; C394-C400 HydrophobicContact CB-CB 3.85Å; C394-C400 WeakPolarHBondContact CB-SG 2.99Å; C394-C400 PolarHBondContact O-SG 2.92Å; C394-C400 VanDerWaalsContact O-SG 3.4Å; C394-C400 WeakPolarHBondContact SG-CA 3.31Å; C394-C400 WeakPolarHBondContact SG-CB 2.97Å; C394-C400 CovalentContact SG-SG 2.04Å; C394-C400 PolarHBondContact SG-SG 3.15Å; C394-C403 PolarHBondContact N-O 3.34Å; C394-C403 WeakPolarHBondContact O-CA 3.35Å; C394-K404 PolarHBondContact SG-O 3.48Å; C394-L405 HydrophobicContact CB-CD2 3.96Å; C394-P430 HydrophobicContact CB-CB 3.57Å; C394-P430 HydrophobicContact CB-CG 4.36Å
395A86.8Confident89.9Confident13 Ų1358.2 Ų58.211%0.10733%0.333CS..SBendtrans-129-35.1170.900000112.9C368 N378 C380 C381 L388C368-A395 HydrophobicContact CB-CB 3.51Å; N378-A395 PolarHBondContact ND2-O 2.85Å; C380-A395 HydrophobicContact CB-CB 3.85Å; C381-A395 HydrophobicContact CB-CB 3.93Å; L388-A395 HydrophobicContact CD2-CB 3.89Å
396H80.6Confident90.1Very high51 Ų5156.9 Ų56.924%0.23632%0.321CS..SBendtrans-117.6169.9-172.3-58.6107.8000112.1D369 N378 C400 P430D369-H396 PolarHBondContact O-CE1 3.36Å; D369-H396 PolarHBondContact O-ND1 3.27Å; D369-H396 PolarHBondContact O-NE2 2.81Å; N378-H396 PolarHBondContact ND2-CD2 3.38Å; N378-H396 VanDerWaalsContact ND2-CD2 3.34Å; N378-H396 PolarHBondContact ND2-NE2 2.98Å; H396-C400 WeakPolarHBondContact O-CB 3.45Å; H396-P430 WeakPolarHBondContact O-CB 3.47Å
397G80.3Confident90.3Very high37 Ų3762.6 Ų62.638%0.38135%0.351SS..SBendtrans88.2156.7176.800000114.7C399 C400 P430G397-C399 PolarHBondContact O-N 2.95Å; G397-C400 PolarHBondContact O-N 2.93Å; G397-P430 CarbonylContact C-O 3.57Å; G397-P430 VanDerWaalsContact CA-O 3.3Å; G397-P430 WeakPolarHBondContact CA-O 3.28Å
398Q86.3Confident90.3Very high61 Ų6161 Ų6129%0.28534%0.344SS..THydrogen-bonded Turntrans-70.3-17.6-172.6-64.1157.119.300113.3T142 K406 C412 P430 C432T142-Q398 HydrophobicContact CG2-CG 4.49Å; T142-Q398 VanDerWaalsContact CG2-NE2 3.29Å; Q398-K406 WeakPolarHBondContact O-CE 3.43Å; Q398-K406 PolarHBondContact O-NZ 2.85Å; Q398-C412 HydrophobicContact CB-CB 4.04Å; Q398-C412 PolarHBondContact OE1-O 3.4Å; Q398-P430 PolarHBondContact N-O 2.84Å; Q398-C432 HydrophobicContact CB-CB 4.25Å
399C91.7Very high90.2Very high0 Ų059.8 Ų59.80%034%0.339CS..THydrogen-bonded Turntrans-99.114.6176.8-66.30000113.3G397 K406 C412 C425 S429 P430G397-C399 PolarHBondContact O-N 2.95Å; C399-K406 PolarHBondContact O-N 2.96Å; C399-C412 VanDerWaalsContact SG-CB 3.55Å; C399-C412 VanDerWaalsContact SG-SG 3.63Å; C399-C425 WeakPolarHBondContact CA-SG 3.32Å; C399-C425 HydrophobicContact CB-CB 3.75Å; C399-C425 WeakPolarHBondContact CB-SG 3.09Å; C399-C425 WeakPolarHBondContact SG-CA 3.3Å; C399-C425 WeakPolarHBondContact SG-CB 3.35Å; C399-C425 CovalentContact SG-SG 2.03Å; C399-C425 PolarHBondContact SG-SG 3.04Å; C399-S429 WeakPolarHBondContact CB-O 3.45Å; C399-P430 CarbonylContact C-O 3.45Å; C399-P430 WeakPolarHBondContact CA-O 3.33Å; C399-P430 VanDerWaalsContact CB-O 3.3Å; C399-P430 WeakPolarHBondContact CB-O 3.32Å; C399-P430 PolarHBondContact N-O 2.87Å
400C91.2Very high90.2Very high20 Ų2055.3 Ų55.314%0.13532%0.322CS..EExtended strand (participates in β ladder)trans-102.8137.6166.3-1640000110.7C394 H396 G397 P430C394-C400 HydrophobicContact CB-CB 3.85Å; C394-C400 WeakPolarHBondContact CB-SG 2.99Å; C394-C400 PolarHBondContact O-SG 2.92Å; C394-C400 VanDerWaalsContact O-SG 3.4Å; C394-C400 WeakPolarHBondContact SG-CA 3.31Å; C394-C400 WeakPolarHBondContact SG-CB 2.97Å; C394-C400 CovalentContact SG-SG 2.04Å; C394-C400 PolarHBondContact SG-SG 3.15Å; H396-C400 WeakPolarHBondContact O-CB 3.45Å; G397-C400 PolarHBondContact O-N 2.93Å; C400-P430 HydrophobicContact CB-CB 4.41Å
401E92Very high90.3Very high113 Ų11356.3 Ų56.353%0.52831%0.309SS..EExtended strand (participates in β ladder)trans-150.4131.4176.2-171.6155.4-123.100108.8C403 K404 K406E401-C403 PolarHBondContact O-N 2.77Å; E401-K404 PolarHBondContact N-O 3Å; E401-K404 PolarHBondContact O-N 2.9Å; E401-K406 HydrophobicContact CB-CD 4.31Å; E401-K406 HydrophobicContact CB-CG 3.77Å; E401-K406 WeakPolarHBondContact OE2-CE 3.29Å
402D91.5Very high90.4Very high151 Ų15149.8 Ų49.881%0.80727%0.274SS*.THydrogen-bonded Turntrans4542.3-176.8-60.2-28.7000113.7K404D402-K404 PolarHBondContact O-N 2.83Å
403C93.6Very high90.2Very high25 Ų2549.6 Ų49.617%0.16927%0.271CS..THydrogen-bonded Turntrans64.715.1-179.3-41.70000115.6C380 A392 V393 C394 E401C380-C403 WeakPolarHBondContact CA-SG 3.21Å; C380-C403 HydrophobicContact CB-CB 3.56Å; C380-C403 WeakPolarHBondContact CB-SG 3.23Å; C380-C403 WeakPolarHBondContact SG-CA 3.34Å; C380-C403 WeakPolarHBondContact SG-CB 3.21Å; C380-C403 PolarHBondContact SG-N 2.97Å; C380-C403 VanDerWaalsContact SG-N 3.39Å; C380-C403 CovalentContact SG-SG 2.03Å; C380-C403 PolarHBondContact SG-SG 3.33Å; A392-C403 HydrophobicContact CB-CB 3.7Å; V393-C403 PolarHBondContact N-O 3.08Å; C394-C403 PolarHBondContact N-O 3.34Å; C394-C403 WeakPolarHBondContact O-CA 3.35Å; E401-C403 PolarHBondContact O-N 2.77Å
404K93.8Very high90Very high99 Ų9950.4 Ų50.443%0.4327%0.269SS..EExtended strand (participates in β ladder)trans-122.5154.6177.6-60.5-61.6-175.6178.20111D391 V393 C394 E401 D402 K406D391-K404 PolarHBondContact O-NZ 3.39Å; V393-K404 HydrophobicContact CG2-CD 3.93Å; C394-K404 PolarHBondContact SG-O 3.48Å; E401-K404 PolarHBondContact N-O 3Å; E401-K404 PolarHBondContact O-N 2.9Å; D402-K404 PolarHBondContact O-N 2.83Å; K404-K406 PolarHBondContact O-N 3.31Å
405L92.9Very high89.9Confident47 Ų4752 Ų5225%0.24628%0.281CS..EExtended strand (participates in β ladder)trans-67.6129.9173.3-62.3179.9000109.6V393 C394 G427 P430V393-L405 HydrophobicContact CG1-CD1 4.11Å; V393-L405 HydrophobicContact CG1-CG 3.97Å; C394-L405 HydrophobicContact CB-CD2 3.96Å; L405-G427 WeakPolarHBondContact CD1-O 3.37Å; L405-P430 HydrophobicContact CD2-CB 3.65Å; L405-P430 HydrophobicContact CD2-CG 4.34Å
406K92.7Very high89.7Confident44 Ų4452 Ų5219%0.19128%0.28CS..PPolyproline II helixtrans-61.2140.8170-70.4-173.3-177.4168.80109.7Q398 C399 E401 K404 T410 C425Q398-K406 WeakPolarHBondContact O-CE 3.43Å; Q398-K406 PolarHBondContact O-NZ 2.85Å; C399-K406 PolarHBondContact O-N 2.96Å; E401-K406 HydrophobicContact CB-CD 4.31Å; E401-K406 HydrophobicContact CB-CG 3.77Å; E401-K406 WeakPolarHBondContact OE2-CE 3.29Å; K404-K406 PolarHBondContact O-N 3.31Å; K406-T410 HydrophobicContact CB-CG2 4.36Å; K406-T410 HydrophobicContact CD-CG2 3.88Å; K406-C425 HydrophobicContact CB-CB 4.32Å
407L91.4Very high90Very high119 Ų11950.7 Ų50.762%0.62327%0.274SS*.PPolyproline II helixtrans-54.6144-179.3-66.5175000111.8G409 T410 L633L407-G409 PolarHBondContact O-N 3.26Å; L407-T410 WeakPolarHBondContact O-CB 3.49Å; L407-T410 PolarHBondContact O-N 3.03Å; L407-T410 PolarHBondContact O-OG1 2.96Å; L407-L633 HydrophobicContact CB-CD2 3.72Å; L407-L633 HydrophobicContact CD1-CD2 4.36Å
408A91.9Very high90.5Very high22 Ų2250.7 Ų50.718%0.18227%0.269CS..THydrogen-bonded Turntrans-54.4121.4172.900000109.5C425 T426 P630 L633 A634A408-C425 CarbonylContact C-O 3.59Å; A408-C425 VanDerWaalsContact CA-O 3.27Å; A408-C425 WeakPolarHBondContact CA-O 3.29Å; A408-T426 VanDerWaalsContact CB-O 3.3Å; A408-T426 WeakPolarHBondContact CB-O 3.48Å; A408-P630 HydrophobicContact CB-CG 4.17Å; A408-L633 VanDerWaalsContact O-CA 3.28Å; A408-L633 WeakPolarHBondContact O-CA 3.05Å; A408-A634 HydrophobicContact CB-CB 4.26Å; A408-A634 PolarHBondContact O-N 2.74Å
409G90.6Very high90.8Very high7 Ų747.8 Ų47.87%0.07226%0.255CS..THydrogen-bonded Turntrans103.6-1.8-173.900000116.1L407 M411 C425 P630 R632L407-G409 PolarHBondContact O-N 3.26Å; G409-M411 PolarHBondContact O-N 3.34Å; G409-C425 PolarHBondContact N-O 3.05Å; G409-P630 VanDerWaalsContact CA-O 3.31Å; G409-P630 WeakPolarHBondContact CA-O 3.47Å; G409-R632 WeakPolarHBondContact CA-O 3.46Å
410T92.5Very high90.9Very high38 Ų3848.3 Ų48.323%0.23326%0.258CS..  trans-76.1121171.6-48.50000109.9K406 L407 C412 F424 C425K406-T410 HydrophobicContact CB-CG2 4.36Å; K406-T410 HydrophobicContact CD-CG2 3.88Å; L407-T410 WeakPolarHBondContact O-CB 3.49Å; L407-T410 PolarHBondContact O-N 3.03Å; L407-T410 PolarHBondContact O-OG1 2.96Å; T410-C412 PolarHBondContact O-N 3.4Å; T410-F424 CarbonylContact O-C 3.56Å; T410-F424 WeakPolarHBondContact O-CA 3.47Å; T410-C425 PolarHBondContact O-N 2.8Å; T410-C425 PolarHBondContact O-SG 3.06Å; T410-C425 VanDerWaalsContact O-SG 3.34Å
411M91.4Very high91Very high95 Ų9548 Ų4847%0.46825%0.254SS..EExtended strand (participates in β ladder)trans-61.4126177.1-171.8-178.9-69.900110.7G409 E414 P422 F424G409-M411 PolarHBondContact O-N 3.34Å; M411-E414 HydrophobicContact SD-CG 3.88Å; M411-P422 HydrophobicContact CE-CB 4.23Å; M411-F424 HydrophobicContact CB-CD1 3.84Å; M411-F424 HydrophobicContact CB-CE1 3.87Å; M411-F424 HydrophobicContact CE-CE1 3.65Å; M411-F424 HydrophobicContact CE-CZ 3.88Å; M411-F424 HydrophobicContact CG-CD1 4.33Å; M411-F424 HydrophobicContact CG-CE1 4.11Å
412C90.1Very high91Very high7 Ų743.9 Ų43.95%0.04724%0.238CC..EExtended strand (participates in β ladder)trans-110.5-25.6178.1520000113.1Q398 C399 T410 E423 C432Q398-C412 HydrophobicContact CB-CB 4.04Å; Q398-C412 PolarHBondContact OE1-O 3.4Å; C399-C412 VanDerWaalsContact SG-CB 3.55Å; C399-C412 VanDerWaalsContact SG-SG 3.63Å; T410-C412 PolarHBondContact O-N 3.4Å; C412-E423 PolarHBondContact N-O 2.91Å; C412-E423 PolarHBondContact SG-O 2.57Å; C412-C432 HydrophobicContact CB-CB 3.66Å; C412-C432 WeakPolarHBondContact CB-SG 3.27Å; C412-C432 WeakPolarHBondContact SG-CA 3.43Å; C412-C432 WeakPolarHBondContact SG-CB 3.42Å; C412-C432 CovalentContact SG-SG 2.04Å; C412-C432 PolarHBondContact SG-SG 3.21Å
413R89.6Confident91.1Very high10 Ų1036.7 Ų36.74%0.03820%0.199CC..EExtended strand (participates in β ladder)trans-136.1129.2170.7-165.8-176.370.588.3-3.1111D420 L421 P422 E423 N435R413-D420 IonicContact CZ-OD1 3.53Å; R413-D420 IonicContact CZ-OD2 3.56Å; R413-D420 VanDerWaalsContact NH1-CG 3.32Å; R413-D420 IonicContact NH1-OD1 3.31Å; R413-D420 PolarHBondContact NH1-OD1 3.38Å; R413-D420 VanDerWaalsContact NH1-OD1 3.16Å; R413-D420 IonicContact NH1-OD2 3.57Å; R413-D420 PolarHBondContact NH1-OD2 3.35Å; R413-D420 IonicContact NH2-OD1 2.86Å; R413-D420 PolarHBondContact NH2-OD1 3.03Å; R413-D420 IonicContact NH2-OD2 2.73Å; R413-L421 PolarHBondContact NH2-O 2.59Å; R413-P422 WeakPolarHBondContact O-CA 3.42Å; R413-E423 WeakPolarHBondContact CB-OE2 3.43Å; R413-E423 IonicContact CZ-OE1 3.56Å; R413-E423 IonicContact CZ-OE2 3.56Å; R413-E423 PolarHBondContact N-O 3.15Å; R413-E423 IonicContact NE-OE1 2.84Å; R413-E423 IonicContact NE-OE2 3.31Å; R413-E423 PolarHBondContact NE-OE2 3.48Å; R413-E423 IonicContact NH2-OE1 3.18Å; R413-E423 PolarHBondContact NH2-OE1 2.04Å; R413-E423 IonicContact NH2-OE2 3.21Å; R413-E423 PolarHBondContact NH2-OE2 3.24Å; R413-E423 PolarHBondContact O-N 2.04Å; R413-E423 VanDerWaalsContact O-N 3.1Å; R413-N435 PolarHBondContact NH2-OD1 3.03Å
414E87.9Confident91.1Very high96 Ų9635.9 Ų35.945%0.44919%0.193SC..  trans-78.2150168.8-65.6175.2-179.200110.4M411 S416M411-E414 HydrophobicContact SD-CG 3.88Å; E414-S416 PolarHBondContact O-N 2.91Å
415S88.7Confident91.1Very high38 Ų3831.1 Ų31.127%0.26617%0.172SC..  trans-63.2127.9168.655.70000110.6K136 D420K136-S415 PolarHBondContact NZ-O 2.73Å; S415-D420 WeakPolarHBondContact CB-O 3.5Å
416S83.9Confident91Very high12 Ų1231.3 Ų31.38%0.08418%0.175CC..  trans-69.2-57177.360.10000110.8K136 E414 D420K136-S416 WeakPolarHBondContact CD-O 3.4Å; K136-S416 PolarHBondContact NZ-O 2.95Å; E414-S416 PolarHBondContact O-N 2.91Å; S416-D420 VanDerWaalsContact CB-OD2 3.27Å; S416-D420 WeakPolarHBondContact CB-OD2 3.25Å; S416-D420 PolarHBondContact N-OD2 3.07Å; S416-D420 PolarHBondContact OG-OD2 3.21Å
417N85.7Confident90.9Very high23 Ų2330.6 Ų30.612%0.12318%0.18CC..SBendtrans-124.7-174.2-172.876.280.2000112.2G337 C419 D420 G454G337-N417 VanDerWaalsContact CA-ND2 3.34Å; G337-N417 WeakPolarHBondContact CA-ND2 2.99Å; N417-C419 VanDerWaalsContact C-N 3.3Å; N417-C419 PolarHBondContact O-N 2.86Å; N417-C419 WeakPolarHBondContact OD1-CA 2.95Å; N417-C419 WeakPolarHBondContact OD1-CB 3.3Å; N417-C419 PolarHBondContact OD1-N 3.1Å; N417-D420 PolarHBondContact O-N 3.31Å; N417-G454 PolarHBondContact ND2-O 3.43Å; N417-G454 PolarHBondContact OD1-O 2.88Å
418S91.1Very high90.9Very high38 Ų3829.5 Ų29.527%0.26618%0.183SC..THydrogen-bonded Turntrans-76.7-10.4-176.151.80000115.2H445S418-H445 WeakPolarHBondContact CB-O 3.21Å
419C93.1Very high90.7Very high0 Ų030.4 Ų30.40%019%0.188CC..THydrogen-bonded Turntrans-1042.9175.1-66.70000113.4N417 Y437 L438 C451N417-C419 VanDerWaalsContact C-N 3.3Å; N417-C419 PolarHBondContact O-N 2.86Å; N417-C419 WeakPolarHBondContact OD1-CA 2.95Å; N417-C419 WeakPolarHBondContact OD1-CB 3.3Å; N417-C419 PolarHBondContact OD1-N 3.1Å; C419-Y437 WeakPolarHBondContact O-CB 3.27Å; C419-L438 WeakPolarHBondContact O-CB 3.29Å; C419-L438 PolarHBondContact O-N 3.37Å; C419-C451 WeakPolarHBondContact CA-SG 2.98Å; C419-C451 HydrophobicContact CB-CB 3.64Å; C419-C451 WeakPolarHBondContact CB-SG 3.48Å; C419-C451 WeakPolarHBondContact SG-CA 3.43Å; C419-C451 WeakPolarHBondContact SG-CB 3.45Å; C419-C451 CovalentContact SG-SG 2.03Å; C419-C451 PolarHBondContact SG-SG 3.09Å
420D92.9Very high90.6Very high10 Ų1031.7 Ų31.75%0.05320%0.195CC..BIsolated β-bridgetrans-105.3145.5-173.4-171.38.9000111.2M340 R413 S415 S416 N417M340-D420 HydrophobicContact CE-CB 4.04Å; M340-D420 VanDerWaalsContact CE-CG 3.45Å; M340-D420 VanDerWaalsContact CE-OD1 3.28Å; M340-D420 WeakPolarHBondContact CE-OD1 3.33Å; R413-D420 IonicContact CZ-OD1 3.53Å; R413-D420 IonicContact CZ-OD2 3.56Å; R413-D420 VanDerWaalsContact NH1-CG 3.32Å; R413-D420 IonicContact NH1-OD1 3.31Å; R413-D420 PolarHBondContact NH1-OD1 3.38Å; R413-D420 VanDerWaalsContact NH1-OD1 3.16Å; R413-D420 IonicContact NH1-OD2 3.57Å; R413-D420 PolarHBondContact NH1-OD2 3.35Å; R413-D420 IonicContact NH2-OD1 2.86Å; R413-D420 PolarHBondContact NH2-OD1 3.03Å; R413-D420 IonicContact NH2-OD2 2.73Å; S415-D420 WeakPolarHBondContact CB-O 3.5Å; S416-D420 VanDerWaalsContact CB-OD2 3.27Å; S416-D420 WeakPolarHBondContact CB-OD2 3.25Å; S416-D420 PolarHBondContact N-OD2 3.07Å; S416-D420 PolarHBondContact OG-OD2 3.21Å; N417-D420 PolarHBondContact O-N 3.31Å
421L93.1Very high90.2Very high13 Ų1333.4 Ų33.47%0.06820%0.2CC..  trans-103.4156.8177.9-64.6169000110.5R413 V436 L438 V599 N601 H607R413-L421 PolarHBondContact NH2-O 2.59Å; L421-V436 HydrophobicContact CB-CG2 4.44Å; L421-V436 WeakPolarHBondContact CB-O 3.46Å; L421-V436 HydrophobicContact CD1-CG2 4.36Å; L421-V436 PolarHBondContact N-O 2.84Å; L421-L438 HydrophobicContact CD1-CD2 4.44Å; L421-L438 HydrophobicContact CD2-CD2 3.75Å; L421-L438 HydrophobicContact CD2-CG 4.39Å; L421-L438 HydrophobicContact CG-CD2 4.21Å; L421-V599 HydrophobicContact CD2-CG2 3.91Å; L421-N601 HydrophobicContact CD1-CB 3.72Å; L421-H607 HydrophobicContact CD1-CB 4.01Å
422P93Very high90.1Very high27 Ų2730.1 Ų30.118%0.17519%0.186CC..  trans-85.3149.517132.3-31.7000111.8M411 R413 F424 H607M411-P422 HydrophobicContact CE-CB 4.23Å; R413-P422 WeakPolarHBondContact O-CA 3.42Å; P422-F424 HydrophobicContact CB-CE2 4.01Å; P422-F424 HydrophobicContact CB-CZ 3.97Å; P422-F424 HydrophobicContact CG-CE2 3.82Å; P422-F424 HydrophobicContact CG-CZ 3.86Å; P422-H607 PolarHBondContact O-CE1 2.91Å
423E93.3Very high90.1Very high0 Ų031 Ų310%019%0.192CC..EExtended strand (participates in β ladder)trans-115.9149.8170.8-64.574.9-166.700112.1C412 R413 P433 N435 V436C412-E423 PolarHBondContact N-O 2.91Å; C412-E423 PolarHBondContact SG-O 2.57Å; R413-E423 WeakPolarHBondContact CB-OE2 3.43Å; R413-E423 IonicContact CZ-OE1 3.56Å; R413-E423 IonicContact CZ-OE2 3.56Å; R413-E423 PolarHBondContact N-O 3.15Å; R413-E423 IonicContact NE-OE1 2.84Å; R413-E423 IonicContact NE-OE2 3.31Å; R413-E423 PolarHBondContact NE-OE2 3.48Å; R413-E423 IonicContact NH2-OE1 3.18Å; R413-E423 PolarHBondContact NH2-OE1 2.04Å; R413-E423 IonicContact NH2-OE2 3.21Å; R413-E423 PolarHBondContact NH2-OE2 3.24Å; R413-E423 PolarHBondContact O-N 2.04Å; R413-E423 VanDerWaalsContact O-N 3.1Å; E423-P433 HydrophobicContact CB-CB 4.44Å; E423-P433 HydrophobicContact CG-CB 4.28Å; E423-N435 WeakPolarHBondContact OE1-CA 3.37Å; E423-V436 PolarHBondContact OE1-N 2.63Å
424F93.3Very high89.9Confident8 Ų832.5 Ų32.54%0.03521%0.206CC..EExtended strand (participates in β ladder)trans-128.7144.5-173.8-53.3-94.8000109.3T410 M411 P422 T426 P433 S628 P630 M631T410-F424 CarbonylContact O-C 3.56Å; T410-F424 WeakPolarHBondContact O-CA 3.47Å; M411-F424 HydrophobicContact CB-CD1 3.84Å; M411-F424 HydrophobicContact CB-CE1 3.87Å; M411-F424 HydrophobicContact CE-CE1 3.65Å; M411-F424 HydrophobicContact CE-CZ 3.88Å; M411-F424 HydrophobicContact CG-CD1 4.33Å; M411-F424 HydrophobicContact CG-CE1 4.11Å; P422-F424 HydrophobicContact CB-CE2 4.01Å; P422-F424 HydrophobicContact CB-CZ 3.97Å; P422-F424 HydrophobicContact CG-CE2 3.82Å; P422-F424 HydrophobicContact CG-CZ 3.86Å; F424-T426 PolarHBondContact O-N 2.79Å; F424-P433 WeakPolarHBondContact O-CD 3.49Å; F424-P433 WeakPolarHBondContact O-CG 3.41Å; F424-S628 PolarHBondContact N-O 3.44Å; F424-P630 WeakPolarHBondContact CB-O 3.49Å; F424-P630 WeakPolarHBondContact CG-O 3.48Å; F424-M631 HydrophobicContact CD2-CB 4.43Å; F424-M631 HydrophobicContact CE1-CB 4.39Å; F424-M631 HydrophobicContact CE1-CG 3.97Å; F424-M631 WeakPolarHBondContact CE1-O 3.02Å; F424-M631 HydrophobicContact CE2-CB 4Å; F424-M631 HydrophobicContact CE2-CG 4.06Å; F424-M631 HydrophobicContact CZ-CB 4Å; F424-M631 HydrophobicContact CZ-CG 3.58Å
425C93.4Very high89.9Confident0 Ų028.5 Ų28.50%019%0.188CC..  trans-56.7136.9173.8-58.80000110.2C399 K406 A408 G409 T410 G427C399-C425 WeakPolarHBondContact CA-SG 3.32Å; C399-C425 HydrophobicContact CB-CB 3.75Å; C399-C425 WeakPolarHBondContact CB-SG 3.09Å; C399-C425 WeakPolarHBondContact SG-CA 3.3Å; C399-C425 WeakPolarHBondContact SG-CB 3.35Å; C399-C425 CovalentContact SG-SG 2.03Å; C399-C425 PolarHBondContact SG-SG 3.04Å; K406-C425 HydrophobicContact CB-CB 4.32Å; A408-C425 CarbonylContact C-O 3.59Å; A408-C425 VanDerWaalsContact CA-O 3.27Å; A408-C425 WeakPolarHBondContact CA-O 3.29Å; G409-C425 PolarHBondContact N-O 3.05Å; T410-C425 PolarHBondContact O-N 2.8Å; T410-C425 PolarHBondContact O-SG 3.06Å; T410-C425 VanDerWaalsContact O-SG 3.34Å; C425-G427 VanDerWaalsContact C-N 3.28Å
426T91.6Very high90.1Very high50 Ų5026.7 Ų26.731%0.30718%0.176SC..  trans-79.7-11.6175.6590000112.8A408 F424 S428 S429 P433A408-T426 VanDerWaalsContact CB-O 3.3Å; A408-T426 WeakPolarHBondContact CB-O 3.48Å; F424-T426 PolarHBondContact O-N 2.79Å; T426-S428 WeakPolarHBondContact CB-OG 3.43Å; T426-S428 PolarHBondContact O-N 2.95Å; T426-S428 PolarHBondContact OG1-N 3.43Å; T426-S428 PolarHBondContact OG1-OG 3.37Å; T426-S429 PolarHBondContact OG1-N 2.94Å; T426-P433 HydrophobicContact CG2-CG 4.13Å
427G90.8Very high90.5Very high29 Ų2927.9 Ų27.930%0.29918%0.178SC..SBendtrans73.7-5.3-168.300000114.4L405 C425L405-G427 WeakPolarHBondContact CD1-O 3.37Å; C425-G427 VanDerWaalsContact C-N 3.28Å
428S90.2Very high91Very high96 Ų9627.8 Ų27.867%0.67118%0.178SC*.SBendtrans-112.7-11.2-178.160.90000114.4T426T426-S428 WeakPolarHBondContact CB-OG 3.43Å; T426-S428 PolarHBondContact O-N 2.95Å; T426-S428 PolarHBondContact OG1-N 3.43Å; T426-S428 PolarHBondContact OG1-OG 3.37Å
429S89Confident91.1Very high42 Ų4226.6 Ų26.629%0.29417%0.168SC..  trans-132.3141.5-179.5178.80000110.7C399 T426 H431C399-S429 WeakPolarHBondContact CB-O 3.45Å; T426-S429 PolarHBondContact OG1-N 2.94Å; S429-H431 VanDerWaalsContact C-N 3.28Å; S429-H431 PolarHBondContact OG-N 2.98Å; S429-H431 PolarHBondContact OG-O 2.91Å
430P87.8Confident91.2Very high34 Ų3427.8 Ų27.822%0.22117%0.174CC..SBendtrans-78.2-15173.933.5-35.6000112.8C394 H396 G397 Q398 C399 C400 L405C394-P430 HydrophobicContact CB-CB 3.57Å; C394-P430 HydrophobicContact CB-CG 4.36Å; H396-P430 WeakPolarHBondContact O-CB 3.47Å; G397-P430 CarbonylContact C-O 3.57Å; G397-P430 VanDerWaalsContact CA-O 3.3Å; G397-P430 WeakPolarHBondContact CA-O 3.28Å; Q398-P430 PolarHBondContact N-O 2.84Å; C399-P430 CarbonylContact C-O 3.45Å; C399-P430 WeakPolarHBondContact CA-O 3.33Å; C399-P430 VanDerWaalsContact CB-O 3.3Å; C399-P430 WeakPolarHBondContact CB-O 3.32Å; C399-P430 PolarHBondContact N-O 2.87Å; C400-P430 HydrophobicContact CB-CB 4.41Å; L405-P430 HydrophobicContact CD2-CB 3.65Å; L405-P430 HydrophobicContact CD2-CG 4.34Å
431H85.5Confident91.2Very high74 Ų7427.5 Ų27.534%0.34317%0.174SC..SBendtrans-90.3145.7173.8-59.3-86.4000110.9S429S429-H431 VanDerWaalsContact C-N 3.28Å; S429-H431 PolarHBondContact OG-N 2.98Å; S429-H431 PolarHBondContact OG-O 2.91Å
432C87.9Confident91.3Very high25 Ų2528.7 Ų28.717%0.16918%0.179CC..PPolyproline II helixtrans-64.9145.1168.2-162.90000109Q398 C412Q398-C432 HydrophobicContact CB-CB 4.25Å; C412-C432 HydrophobicContact CB-CB 3.66Å; C412-C432 WeakPolarHBondContact CB-SG 3.27Å; C412-C432 WeakPolarHBondContact SG-CA 3.43Å; C412-C432 WeakPolarHBondContact SG-CB 3.42Å; C412-C432 CovalentContact SG-SG 2.04Å; C412-C432 PolarHBondContact SG-SG 3.21Å
433P89.9Confident91.3Very high27 Ų2730.6 Ų30.618%0.17520%0.197CC..PPolyproline II helixtrans-54.7157.4172.6-25.734.8000112.8E423 F424 T426 N435 D627E423-P433 HydrophobicContact CB-CB 4.44Å; E423-P433 HydrophobicContact CG-CB 4.28Å; F424-P433 WeakPolarHBondContact O-CD 3.49Å; F424-P433 WeakPolarHBondContact O-CG 3.41Å; T426-P433 HydrophobicContact CG2-CG 4.13Å; P433-N435 PolarHBondContact O-N 3.27Å; P433-D627 VanDerWaalsContact CB-O 3.23Å; P433-D627 WeakPolarHBondContact CB-O 3.25Å
434A85.4Confident91.3Very high41 Ų4131.1 Ų31.134%0.33920%0.201SC..PPolyproline II helixtrans-59.5137.4177.600000110.9V436A434-V436 PolarHBondContact O-N 3.15Å
435N88.9Confident91Very high12 Ų1237 Ų376%0.06423%0.228CC..PPolyproline II helixtrans-53.5122.9179.6175.4-21.9000110.7M340 Y343 R413 E423 P433M340-N435 WeakPolarHBondContact CE-ND2 3.26Å; M340-N435 WeakPolarHBondContact CE-OD1 3.41Å; M340-N435 WeakPolarHBondContact O-CB 3.31Å; M340-N435 PolarHBondContact O-ND2 3.45Å; Y343-N435 HydrophobicContact CD2-CB 4Å; Y343-N435 WeakPolarHBondContact CD2-ND2 3.46Å; Y343-N435 VanDerWaalsContact CE2-ND2 3.3Å; Y343-N435 WeakPolarHBondContact CE2-ND2 3.24Å; Y343-N435 HydrophobicContact CG-CB 4.06Å; R413-N435 PolarHBondContact NH2-OD1 3.03Å; E423-N435 WeakPolarHBondContact OE1-CA 3.37Å; P433-N435 PolarHBondContact O-N 3.27Å
436V92.6Very high90.6Very high0 Ų043.8 Ų43.80%026%0.264CS..  trans-119148.9170.1-69.60000110.7L421 E423 A434 N601 N602 K603 D627L421-V436 HydrophobicContact CB-CG2 4.44Å; L421-V436 WeakPolarHBondContact CB-O 3.46Å; L421-V436 HydrophobicContact CD1-CG2 4.36Å; L421-V436 PolarHBondContact N-O 2.84Å; E423-V436 PolarHBondContact OE1-N 2.63Å; A434-V436 PolarHBondContact O-N 3.15Å; V436-N601 HydrophobicContact CB-CB 4.3Å; V436-N602 WeakPolarHBondContact CA-OD1 3.11Å; V436-N602 WeakPolarHBondContact CB-OD1 3.28Å; V436-K603 HydrophobicContact CG1-CD 3.94Å; V436-K603 HydrophobicContact CG1-CG 4.5Å; V436-D627 HydrophobicContact CG1-CB 3.75Å; V436-D627 HydrophobicContact CG2-CB 4.48Å
437Y92.9Very high90.3Very high37 Ų3744.6 Ų44.615%0.14527%0.269CS..BIsolated β-bridgetrans-133.1169.1-17752.9-93.9000110.4M340 C419 H439 N453 G454 N601 N602M340-Y437 HydrophobicContact CB-CD1 3.95Å; M340-Y437 HydrophobicContact CB-CE1 3.94Å; M340-Y437 HydrophobicContact CE-CD1 3.96Å; M340-Y437 HydrophobicContact CE-CG 4.17Å; M340-Y437 HydrophobicContact CG-CD1 4.08Å; M340-Y437 HydrophobicContact CG-CE1 4.32Å; C419-Y437 WeakPolarHBondContact O-CB 3.27Å; Y437-H439 PolarHBondContact O-N 3.39Å; Y437-N453 VanDerWaalsContact CE2-C 3.49Å; Y437-G454 VanDerWaalsContact CE2-N 3.25Å; Y437-N601 CarbonylContact O-C 3.58Å; Y437-N601 WeakPolarHBondContact O-CA 3.06Å; Y437-N602 HydrophobicContact CD1-CB 4.23Å; Y437-N602 HydrophobicContact CD2-CB 3.57Å; Y437-N602 HydrophobicContact CE1-CB 4.01Å; Y437-N602 VanDerWaalsContact CE1-ND2 3.3Å; Y437-N602 WeakPolarHBondContact CE1-ND2 3.41Å; Y437-N602 HydrophobicContact CE2-CB 3.29Å; Y437-N602 HydrophobicContact CG-CB 4.04Å; Y437-N602 PolarHBondContact N-OD1 2.96Å; Y437-N602 PolarHBondContact O-N 2.62Å; Y437-N602 PolarHBondContact O-OD1 3.14Å
438L94.7Very high90.3Very high20 Ų2048.9 Ų48.911%0.10529%0.285CS..BIsolated β-bridgetrans-59.5137.4177.4-69.2-177.8000110.7C419 L421 H442 C451 V599C419-L438 WeakPolarHBondContact O-CB 3.29Å; C419-L438 PolarHBondContact O-N 3.37Å; L421-L438 HydrophobicContact CD1-CD2 4.44Å; L421-L438 HydrophobicContact CD2-CD2 3.75Å; L421-L438 HydrophobicContact CD2-CG 4.39Å; L421-L438 HydrophobicContact CG-CD2 4.21Å; L438-H442 HydrophobicContact CB-CB 4.05Å; L438-H442 HydrophobicContact CD1-CB 4.07Å; L438-C451 HydrophobicContact CB-CB 4.5Å; L438-V599 HydrophobicContact CD2-CB 3.86Å; L438-V599 HydrophobicContact CD2-CG1 4.43Å; L438-V599 HydrophobicContact CD2-CG2 3.56Å
439H94.8Very high90.4Very high14 Ų1444.5 Ų44.57%0.06526%0.255CS..PPolyproline II helixtrans-57.2143.5174.7-169.873.4000112Y437 G441 H442 F585 C600Y437-H439 PolarHBondContact O-N 3.39Å; H439-G441 PolarHBondContact O-N 3.1Å; H439-H442 PolarHBondContact O-CD2 2.59Å; H439-H442 VanDerWaalsContact O-CD2 3.26Å; H439-H442 PolarHBondContact O-N 3.41Å; H439-F585 PolarHBondContact NE2-O 2.85Å; H439-C600 HydrophobicContact CB-CB 4.08Å; H439-C600 WeakPolarHBondContact CB-O 3.27Å; H439-C600 VanDerWaalsContact CB-SG 3.51Å; H439-C600 PolarHBondContact N-O 2.74Å
440D94.2Very high90.7Very high25 Ų2543.4 Ų43.413%0.13424%0.244CC..THydrogen-bonded Turntrans-56.2134.9-176.5-71.3-8.7000111.6C451 Y452 N453 F585 V587D440-C451 CarbonylContact C-O 3.54Å; D440-C451 WeakPolarHBondContact CA-O 3.17Å; D440-Y452 HydrophobicContact CB-CD2 4.3Å; D440-Y452 WeakPolarHBondContact OD1-CA 3.31Å; D440-Y452 WeakPolarHBondContact OD2-CD2 3.42Å; D440-N453 PolarHBondContact OD1-N 3.02Å; D440-F585 VanDerWaalsContact C-CD2 3.48Å; D440-F585 HydrophobicContact CB-CB 4.15Å; D440-F585 HydrophobicContact CB-CD1 3.76Å; D440-F585 HydrophobicContact CB-CD2 3.88Å; D440-F585 HydrophobicContact CB-CE1 4.01Å; D440-F585 HydrophobicContact CB-CE2 4.09Å; D440-F585 HydrophobicContact CB-CG 3.68Å; D440-F585 HydrophobicContact CB-CZ 4.15Å; D440-F585 VanDerWaalsContact O-CB 3.23Å; D440-F585 WeakPolarHBondContact O-CB 3.46Å; D440-F585 WeakPolarHBondContact O-CD2 3.24Å; D440-V587 WeakPolarHBondContact O-CB 3.35Å
441G93.6Very high91Very high4 Ų441.8 Ų41.84%0.04123%0.234CC..THydrogen-bonded Turntrans93.1-4.2-175.400000115.6H439 Y450 C451H439-G441 PolarHBondContact O-N 3.1Å; G441-Y450 WeakPolarHBondContact O-CD1 3.44Å; G441-C451 PolarHBondContact N-O 3.43Å
442H94.5Very high91.3Very high37 Ų3740.2 Ų40.217%0.17123%0.225CC..PPolyproline II helixtrans-63143.3166.5-90.8-66.5000110.7L438 H439 Y450 C451 S591 C600L438-H442 HydrophobicContact CB-CB 4.05Å; L438-H442 HydrophobicContact CD1-CB 4.07Å; H439-H442 PolarHBondContact O-CD2 2.59Å; H439-H442 VanDerWaalsContact O-CD2 3.26Å; H439-H442 PolarHBondContact O-N 3.41Å; H442-Y450 CarbonylContact O-C 3.18Å; H442-Y450 VanDerWaalsContact O-CA 3.31Å; H442-Y450 WeakPolarHBondContact O-CA 3.03Å; H442-C451 HydrophobicContact CB-CB 4.4Å; H442-C451 PolarHBondContact O-N 2.92Å; H442-S591 PolarHBondContact CE1-OG 3.39Å; H442-S591 PolarHBondContact NE2-OG 2.88Å; H442-S591 VanDerWaalsContact NE2-OG 3.13Å; H442-C600 WeakPolarHBondContact NE2-CA 3.15Å; H442-C600 WeakPolarHBondContact NE2-CB 3.37Å; H442-C600 PolarHBondContact NE2-N 3.25Å; H442-C600 PolarHBondContact NE2-O 2.89Å
443A93.5Very high91.3Very high67 Ų6740.8 Ų40.855%0.55423%0.227SC*.BIsolated β-bridgetrans-73.2136.9176.100000110.7Y450A443-Y450 HydrophobicContact CB-CD1 4.32Å; A443-Y450 HydrophobicContact CB-CE1 4.13Å
444C92.3Very high91.2Very high12 Ų1239.5 Ų39.58%0.08122%0.218CC..PPolyproline II helixtrans-70139.4179.1-52.40000111.8N446 V447 G449 Y450 C456C444-N446 PolarHBondContact O-N 2.96Å; C444-V447 HydrophobicContact CB-CB 4.06Å; C444-G449 PolarHBondContact N-O 3.18Å; C444-G449 PolarHBondContact SG-O 3.15Å; C444-Y450 VanDerWaalsContact SG-C 3.56Å; C444-C456 HydrophobicContact CB-CB 3.95Å; C444-C456 WeakPolarHBondContact CB-SG 3.14Å; C444-C456 WeakPolarHBondContact SG-CB 3.41Å; C444-C456 CovalentContact SG-SG 2.03Å; C444-C456 PolarHBondContact SG-SG 3.14Å
445H87.1Confident91.3Very high130 Ų13038.3 Ų38.360%0.60221%0.206SC*.THydrogen-bonded Turntrans-70129.4171.5-169.863.8000111.7S418 V447S418-H445 WeakPolarHBondContact CB-O 3.21Å; H445-V447 PolarHBondContact O-N 2.68Å; H445-V447 VanDerWaalsContact O-N 3.11Å
446N85.3Confident91.4Very high143 Ų14338.7 Ų38.777%0.76521%0.209SC*.THydrogen-bonded Turntrans57.213.1179.6-58.1-31.2000116.9C444C444-N446 PolarHBondContact O-N 2.96Å
447V86.4Confident91.1Very high67 Ų6740.4 Ų40.441%0.40622%0.217SC..SBendtrans-134.7132.5177.8179.60000107.9C444 H445 G449 T458C444-V447 HydrophobicContact CB-CB 4.06Å; H445-V447 PolarHBondContact O-N 2.68Å; H445-V447 VanDerWaalsContact O-N 3.11Å; V447-G449 VanDerWaalsContact C-N 3.35Å; V447-G449 PolarHBondContact O-N 2.99Å; V447-T458 HydrophobicContact CG1-CG2 3.65Å
448D89.6Confident91Very high120 Ų12039.7 Ų39.764%0.64222%0.217SC*.SBendtrans-7689176.1-171.734.4000110.4K567D448-K567 WeakPolarHBondContact OD1-CD 3.3Å; D448-K567 IonicContact OD1-NZ 3.07Å; D448-K567 PolarHBondContact OD1-NZ 3.03Å; D448-K567 IonicContact OD2-NZ 3.21Å; D448-K567 PolarHBondContact OD2-NZ 3.39Å
449G93.4Very high91Very high3 Ų339.9 Ų39.93%0.03122%0.217CC..SBendtrans-168.1175.4-173.700000112.3C444 V447C444-G449 PolarHBondContact N-O 3.18Å; C444-G449 PolarHBondContact SG-O 3.15Å; V447-G449 VanDerWaalsContact C-N 3.35Å; V447-G449 PolarHBondContact O-N 2.99Å
450Y94.9Very high90.8Very high19 Ų1943.3 Ų43.38%0.07523%0.233CC..EExtended strand (participates in β ladder)trans-122.4147.6173.3-64.8-75.3000110.2G441 H442 A443 C444 K567 N571 V573 V582G441-Y450 WeakPolarHBondContact O-CD1 3.44Å; H442-Y450 CarbonylContact O-C 3.18Å; H442-Y450 VanDerWaalsContact O-CA 3.31Å; H442-Y450 WeakPolarHBondContact O-CA 3.03Å; A443-Y450 HydrophobicContact CB-CD1 4.32Å; A443-Y450 HydrophobicContact CB-CE1 4.13Å; C444-Y450 VanDerWaalsContact SG-C 3.56Å; Y450-K567 HydrophobicContact CD2-CB 4.01Å; Y450-K567 HydrophobicContact CD2-CD 4.46Å; Y450-K567 HydrophobicContact CD2-CG 4.05Å; Y450-K567 HydrophobicContact CE2-CB 4.34Å; Y450-K567 HydrophobicContact CE2-CD 4Å; Y450-K567 HydrophobicContact CE2-CG 3.85Å; Y450-N571 WeakPolarHBondContact OH-CA 3.27Å; Y450-N571 PolarHBondContact OH-N 3.38Å; Y450-N571 PolarHBondContact OH-OD1 3.48Å; Y450-V573 HydrophobicContact CD2-CG1 3.6Å; Y450-V573 HydrophobicContact CG-CG1 3.88Å; Y450-V582 HydrophobicContact CD1-CG1 3.91Å; Y450-V582 HydrophobicContact CD2-CG1 4.01Å; Y450-V582 HydrophobicContact CE1-CG1 4.18Å; Y450-V582 HydrophobicContact CE2-CG1 4.27Å; Y450-V582 HydrophobicContact CG-CG1 3.84Å
451C93.8Very high90.4Very high1 Ų144.9 Ų44.91%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-72.8133.9176.2-61.50000110.6C419 L438 D440 G441 H442C419-C451 WeakPolarHBondContact CA-SG 2.98Å; C419-C451 HydrophobicContact CB-CB 3.64Å; C419-C451 WeakPolarHBondContact CB-SG 3.48Å; C419-C451 WeakPolarHBondContact SG-CA 3.43Å; C419-C451 WeakPolarHBondContact SG-CB 3.45Å; C419-C451 CovalentContact SG-SG 2.03Å; C419-C451 PolarHBondContact SG-SG 3.09Å; L438-C451 HydrophobicContact CB-CB 4.5Å; D440-C451 CarbonylContact C-O 3.54Å; D440-C451 WeakPolarHBondContact CA-O 3.17Å; G441-C451 PolarHBondContact N-O 3.43Å; H442-C451 HydrophobicContact CB-CB 4.4Å; H442-C451 PolarHBondContact O-N 2.92Å
452Y91.4Very high90.2Very high41 Ų4145.1 Ų45.116%0.16124%0.24CC..EExtended strand (participates in β ladder)trans-146.1120.8174.4-176.2-116.4000109.3D440 G454 I455 A564 L575 F585D440-Y452 HydrophobicContact CB-CD2 4.3Å; D440-Y452 WeakPolarHBondContact OD1-CA 3.31Å; D440-Y452 WeakPolarHBondContact OD2-CD2 3.42Å; Y452-G454 PolarHBondContact O-N 3.34Å; Y452-I455 PolarHBondContact N-O 3.03Å; Y452-I455 PolarHBondContact O-N 2.81Å; Y452-I455 VanDerWaalsContact O-N 3.11Å; Y452-A564 HydrophobicContact CD1-CB 4.46Å; Y452-A564 VanDerWaalsContact CD1-O 3.29Å; Y452-A564 WeakPolarHBondContact CD1-O 3.31Å; Y452-A564 HydrophobicContact CE1-CB 3.7Å; Y452-L575 HydrophobicContact CE2-CD2 4.06Å; Y452-F585 AromaticContact CD2-CE1 3.99Å; Y452-F585 HydrophobicContact CD2-CE1 3.99Å; Y452-F585 AromaticContact CD2-CZ 3.67Å; Y452-F585 HydrophobicContact CD2-CZ 3.67Å; Y452-F585 AromaticContact CE2-CE1 3.8Å; Y452-F585 HydrophobicContact CE2-CE1 3.8Å; Y452-F585 AromaticContact CE2-CZ 3.86Å; Y452-F585 HydrophobicContact CE2-CZ 3.86Å
453N87.8Confident89.9Confident37 Ų3743.4 Ų43.420%0.19823%0.232CC..THydrogen-bonded Turntrans50.537.5-172.6-64.5-76.6000113.6Y437 D440 I455Y437-N453 VanDerWaalsContact CE2-C 3.49Å; D440-N453 PolarHBondContact OD1-N 3.02Å; N453-I455 VanDerWaalsContact C-N 3.29Å; N453-I455 PolarHBondContact O-N 2.98Å
454G88.3Confident89.6Confident0 Ų043 Ų430%022%0.22CC..THydrogen-bonded Turntrans77.58.1178.400000115.3N417 Y437 Y452N417-G454 PolarHBondContact ND2-O 3.43Å; N417-G454 PolarHBondContact OD1-O 2.88Å; Y437-G454 VanDerWaalsContact CE2-N 3.25Å; Y452-G454 PolarHBondContact O-N 3.34Å
455I87.3Confident89Confident16 Ų1644 Ų448%0.08223%0.225CC..EExtended strand (participates in β ladder)trans-116.7139.9178.5-56.2171.3000109.5V338 Y452 N453 Q457V338-I455 HydrophobicContact CG2-CD1 3.97Å; Y452-I455 PolarHBondContact N-O 3.03Å; Y452-I455 PolarHBondContact O-N 2.81Å; Y452-I455 VanDerWaalsContact O-N 3.11Å; N453-I455 VanDerWaalsContact C-N 3.29Å; N453-I455 PolarHBondContact O-N 2.98Å; I455-Q457 HydrophobicContact CG2-CG 4.13Å
456C90.4Very high88.6Confident20 Ų2038 Ų3814%0.13520%0.198CC..EExtended strand (participates in β ladder)trans-88.4101.4168.1-1700000110.5C444C444-C456 HydrophobicContact CB-CB 3.95Å; C444-C456 WeakPolarHBondContact CB-SG 3.14Å; C444-C456 WeakPolarHBondContact SG-CB 3.41Å; C444-C456 CovalentContact SG-SG 2.03Å; C444-C456 PolarHBondContact SG-SG 3.14Å
457Q87.4Confident88.5Confident35 Ų3531.2 Ų31.216%0.16416%0.161CC..EExtended strand (participates in β ladder)trans-89.9129.6-177.5-64-68.31.500112I455I455-Q457 HydrophobicContact CG2-CG 4.13Å
458T91.3Very high88.2Confident23 Ų2328.9 Ų28.914%0.14115%0.151CC..  trans-137.5149.3178.671.30000112.1V447 E460 Q461 Q462V447-T458 HydrophobicContact CG1-CG2 3.65Å; T458-E460 PolarHBondContact O-N 2.67Å; T458-Q461 PolarHBondContact O-N 2.77Å; T458-Q461 WeakPolarHBondContact OG1-CB 3.18Å; T458-Q461 PolarHBondContact OG1-N 3.17Å; T458-Q461 VanDerWaalsContact OG1-N 3.09Å; T458-Q462 PolarHBondContact O-N 2.92Å
459H93.2Very high87.8Confident23 Ų2327.6 Ų27.611%0.10616%0.157CC..Hα-helixtrans-58.3-35.2173.8-63.1101.1000112.4Q462 C463 P473 F479 K509 K567H459-Q462 PolarHBondContact O-N 3.17Å; H459-C463 WeakPolarHBondContact O-CB 3.4Å; H459-C463 PolarHBondContact O-N 3.16Å; H459-C463 PolarHBondContact O-SG 3.11Å; H459-P473 HydrophobicContact CB-CB 3.78Å; H459-F479 AromaticContact CD2-CE1 3.9Å; H459-F479 AromaticContact CD2-CZ 3.85Å; H459-K509 PolarHBondContact NE2-O 2.95Å; H459-K567 PolarHBondContact CE1-O 3.22Å; H459-K567 PolarHBondContact ND1-O 3.27Å
460E91.8Very high87.4Confident86 Ų8630.3 Ų30.340%0.40219%0.185SC..Hα-helixtrans-64.7-47176.7-173.1168.8-133.600111.5T458 Q462 C463 I464 P473T458-E460 PolarHBondContact O-N 2.67Å; E460-Q462 VanDerWaalsContact C-N 3.31Å; E460-Q462 PolarHBondContact O-N 2.94Å; E460-C463 PolarHBondContact O-N 3.38Å; E460-I464 HydrophobicContact CG-CD1 3.92Å; E460-I464 WeakPolarHBondContact O-CG1 3.42Å; E460-I464 PolarHBondContact O-N 2.83Å; E460-P473 HydrophobicContact CB-CG 4.28Å
461Q86.3Confident87.2Confident59 Ų5929.5 Ų29.528%0.27618%0.182SC..Hα-helixtrans-64.2-38.3178.7-175.854.388.300111.5K336 T458 I464 T465K336-Q461 VanDerWaalsContact CE-OE1 3.29Å; K336-Q461 VanDerWaalsContact NZ-CD 3.3Å; T458-Q461 PolarHBondContact O-N 2.77Å; T458-Q461 WeakPolarHBondContact OG1-CB 3.18Å; T458-Q461 PolarHBondContact OG1-N 3.17Å; T458-Q461 VanDerWaalsContact OG1-N 3.09Å; Q461-I464 PolarHBondContact O-N 2.85Å; Q461-T465 PolarHBondContact O-N 3.36Å; Q461-T465 PolarHBondContact O-OG1 2.97Å
462Q87.8Confident87.2Confident9 Ų935.3 Ų35.34%0.04221%0.208CC..Hα-helixtrans-67.1-42.1174-169.9177.8-3.300111.8T458 H459 E460 I464 T465 L466 I513 P559 L561 L563T458-Q462 PolarHBondContact O-N 2.92Å; H459-Q462 PolarHBondContact O-N 3.17Å; E460-Q462 VanDerWaalsContact C-N 3.31Å; E460-Q462 PolarHBondContact O-N 2.94Å; Q462-I464 VanDerWaalsContact C-N 3.34Å; Q462-I464 PolarHBondContact O-N 3.49Å; Q462-T465 PolarHBondContact O-N 2.86Å; Q462-L466 HydrophobicContact CG-CD1 4.12Å; Q462-L466 HydrophobicContact CG-CG 4.36Å; Q462-L466 WeakPolarHBondContact O-CB 3.06Å; Q462-L466 VanDerWaalsContact O-CG 3.32Å; Q462-L466 WeakPolarHBondContact O-CG 2.88Å; Q462-L466 PolarHBondContact O-N 2.87Å; Q462-I513 HydrophobicContact CB-CD1 3.63Å; Q462-I513 HydrophobicContact CG-CD1 3.61Å; Q462-P559 PolarHBondContact NE2-O 3.29Å; Q462-L561 PolarHBondContact NE2-O 3.39Å; Q462-L563 VanDerWaalsContact OE1-N 3.09Å
463C89.8Confident87.4Confident0 Ų035.8 Ų35.80%022%0.215CC..Hα-helixtrans-60.4-40.6174.2-74.40000112.6H459 E460 T465 L466 W467 A471 C515H459-C463 WeakPolarHBondContact O-CB 3.4Å; H459-C463 PolarHBondContact O-N 3.16Å; H459-C463 PolarHBondContact O-SG 3.11Å; E460-C463 PolarHBondContact O-N 3.38Å; C463-T465 VanDerWaalsContact C-N 3.35Å; C463-L466 PolarHBondContact O-N 3.34Å; C463-W467 WeakPolarHBondContact O-CB 3.32Å; C463-W467 PolarHBondContact O-N 3.35Å; C463-A471 HydrophobicContact CB-CB 4.28Å; C463-A471 WeakPolarHBondContact O-CB 3.26Å; C463-C515 WeakPolarHBondContact CA-SG 3.07Å; C463-C515 HydrophobicContact CB-CB 3.81Å; C463-C515 WeakPolarHBondContact CB-SG 3.29Å; C463-C515 VanDerWaalsContact SG-CA 3.59Å; C463-C515 WeakPolarHBondContact SG-CB 3.35Å; C463-C515 CovalentContact SG-SG 2.04Å; C463-C515 PolarHBondContact SG-SG 3.44Å
464I85.8Confident87.7Confident58 Ų5834.4 Ų34.430%0.29721%0.209SC..Hα-helixtrans-66.1-37.4175.1-67.4167.4000111.3E460 Q461 Q462 G468 A471E460-I464 HydrophobicContact CG-CD1 3.92Å; E460-I464 WeakPolarHBondContact O-CG1 3.42Å; E460-I464 PolarHBondContact O-N 2.83Å; Q461-I464 PolarHBondContact O-N 2.85Å; Q462-I464 VanDerWaalsContact C-N 3.34Å; Q462-I464 PolarHBondContact O-N 3.49Å; I464-G468 CarbonylContact O-C 3.48Å; I464-G468 WeakPolarHBondContact O-CA 3.48Å; I464-G468 PolarHBondContact O-N 2.9Å; I464-A471 HydrophobicContact CG1-CB 4.45Å; I464-A471 WeakPolarHBondContact CG1-O 2.98Å
465T79.3Confident88Confident33 Ų3337 Ų3720%0.20223%0.226CC..Hα-helixtrans-65.9-39.5173.6-57.80000111.3Q461 Q462 C463 V523 I524Q461-T465 PolarHBondContact O-N 3.36Å; Q461-T465 PolarHBondContact O-OG1 2.97Å; Q462-T465 PolarHBondContact O-N 2.86Å; C463-T465 VanDerWaalsContact C-N 3.35Å; T465-V523 WeakPolarHBondContact O-CG2 3.38Å; T465-I524 WeakPolarHBondContact O-CG2 3.22Å
466L79.4Confident88.3Confident4 Ų437.4 Ų37.42%0.02124%0.235CC..Hα-helixtrans-75.9-36.7-178.1-71.1176.8000114.1Q462 C463 I513 P522 V523 I524 T548 P559Q462-L466 HydrophobicContact CG-CD1 4.12Å; Q462-L466 HydrophobicContact CG-CG 4.36Å; Q462-L466 WeakPolarHBondContact O-CB 3.06Å; Q462-L466 VanDerWaalsContact O-CG 3.32Å; Q462-L466 WeakPolarHBondContact O-CG 2.88Å; Q462-L466 PolarHBondContact O-N 2.87Å; C463-L466 PolarHBondContact O-N 3.34Å; L466-I513 HydrophobicContact CD1-CD1 4.44Å; L466-I513 HydrophobicContact CD1-CG2 3.42Å; L466-I513 VanDerWaalsContact CD1-CG2 3.42Å; L466-P522 CarbonylContact O-C 3.48Å; L466-P522 WeakPolarHBondContact O-CA 3.19Å; L466-P522 WeakPolarHBondContact O-CB 3.31Å; L466-V523 PolarHBondContact O-N 3.21Å; L466-I524 HydrophobicContact CD2-CD1 3.88Å; L466-I524 HydrophobicContact CD2-CG1 4.43Å; L466-I524 HydrophobicContact CD2-CG2 3.84Å; L466-T548 HydrophobicContact CD1-CG2 4.06Å; L466-T548 HydrophobicContact CD2-CG2 4.13Å; L466-P559 HydrophobicContact CD2-CB 4.44Å
467W84.3Confident88.3Confident1 Ų138.9 Ų38.90%0.00424%0.241CC..Hα-helixtrans-123.82.1-169.3-56.896.9000114.1C463 A471 C515 A519 P522 S530 R546 G547C463-W467 WeakPolarHBondContact O-CB 3.32Å; C463-W467 PolarHBondContact O-N 3.35Å; W467-A471 HydrophobicContact CB-CB 3.7Å; W467-A471 HydrophobicContact CG-CB 4.5Å; W467-C515 PolarHBondContact NE1-SG 3.2Å; W467-A519 WeakPolarHBondContact O-CB 3.48Å; W467-A519 PolarHBondContact O-N 2.79Å; W467-P522 HydrophobicContact CE3-CB 4.5Å; W467-P522 HydrophobicContact CE3-CG 4.19Å; W467-P522 HydrophobicContact CH2-CG 3.86Å; W467-P522 HydrophobicContact CZ2-CG 4.36Å; W467-P522 HydrophobicContact CZ3-CG 3.75Å; W467-S530 WeakPolarHBondContact CH2-OG 3.22Å; W467-R546 HydrophobicContact CH2-CB 4.11Å; W467-R546 HydrophobicContact CZ2-CB 3.89Å; W467-G547 WeakPolarHBondContact CH2-O 3.21Å; W467-G547 VanDerWaalsContact CZ2-O 3.31Å; W467-G547 WeakPolarHBondContact CZ2-O 3.27Å
468G79.4Confident88.7Confident18 Ų1837.2 Ų37.219%0.18623%0.233CC..  trans78.7-171.9-177.100000114.2I464 A471I464-G468 CarbonylContact O-C 3.48Å; I464-G468 WeakPolarHBondContact O-CA 3.48Å; I464-G468 PolarHBondContact O-N 2.9Å; G468-A471 WeakPolarHBondContact O-CB 3.44Å; G468-A471 PolarHBondContact O-N 2.67Å
469A80.5Confident88.9Confident94 Ų9436.3 Ų36.378%0.77723%0.227SC*.THydrogen-bonded Turntrans-62141.8-175.800000112.6A471A469-A471 VanDerWaalsContact C-N 3.32Å
470G85.3Confident89Confident59 Ų5939.5 Ų39.561%0.60824%0.242SC*.THydrogen-bonded Turntrans841.6-177.700000114.8G518G470-G518 PolarHBondContact O-N 2.79Å
471A91.2Very high89.1Confident2 Ų242.5 Ų42.52%0.01725%0.25CC..EExtended strand (participates in β ladder)trans-77.5148.9167.600000111.8C463 I464 W467 G468 A469 Q516C463-A471 HydrophobicContact CB-CB 4.28Å; C463-A471 WeakPolarHBondContact O-CB 3.26Å; I464-A471 HydrophobicContact CG1-CB 4.45Å; I464-A471 WeakPolarHBondContact CG1-O 2.98Å; W467-A471 HydrophobicContact CB-CB 3.7Å; W467-A471 HydrophobicContact CG-CB 4.5Å; G468-A471 WeakPolarHBondContact O-CB 3.44Å; G468-A471 PolarHBondContact O-N 2.67Å; A469-A471 VanDerWaalsContact C-N 3.32Å; A471-Q516 CarbonylContact C-O 3.49Å; A471-Q516 WeakPolarHBondContact CA-O 3.5Å
472K94.1Very high89.5Confident124 Ų12440.4 Ų40.454%0.53924%0.241SC..EExtended strand (participates in β ladder)trans-142.1158.4-177.6-72.5-166173.2-171.30110.9C515 Q516K472-C515 CarbonylContact O-C 3.57Å; K472-C515 VanDerWaalsContact O-CA 3.25Å; K472-C515 WeakPolarHBondContact O-CA 3.45Å; K472-Q516 PolarHBondContact N-O 3.44Å; K472-Q516 PolarHBondContact O-N 2.96Å
473P94.8Very high89.8Confident50 Ų5040 Ų4033%0.32524%0.239SC..EExtended strand (participates in β ladder)trans-67141.6173.430.3-34000110H459 E460H459-P473 HydrophobicContact CB-CB 3.78Å; E460-P473 HydrophobicContact CB-CG 4.28Å
474A94.8Very high90.1Very high9 Ų942.7 Ų42.77%0.07426%0.258CS..PPolyproline II helixtrans-74.2159.617600000111.6C478 F479 Q514 Q516A474-C478 HydrophobicContact CB-CB 3.71Å; A474-F479 WeakPolarHBondContact O-CE2 3.25Å; A474-Q514 HydrophobicContact CB-CB 3.78Å; A474-Q514 WeakPolarHBondContact CB-O 3.3Å; A474-Q514 PolarHBondContact N-O 3.04Å; A474-Q516 HydrophobicContact CB-CG 3.95Å
475P93.9Very high90.4Very high53 Ų5341.8 Ų41.834%0.34426%0.259SS..PPolyproline II helixtrans-56.6151.2173.5-26.336.1000112.6I477 C478 I543P475-I477 HydrophobicContact CB-CG2 4.27Å; P475-I477 PolarHBondContact O-N 3.45Å; P475-C478 VanDerWaalsContact O-CB 3.27Å; P475-C478 WeakPolarHBondContact O-CB 2.93Å; P475-C478 PolarHBondContact O-N 3.1Å; P475-I543 HydrophobicContact CG-CD1 4.44Å
476G92.6Very high90.9Very high26 Ų2641.1 Ų41.127%0.26826%0.258SS..Hα-helixtrans-52.4-35.6-17500000114.7C478 F479 E480G476-C478 PolarHBondContact O-N 2.83Å; G476-C478 VanDerWaalsContact O-N 3.16Å; G476-F479 WeakPolarHBondContact O-CB 3.48Å; G476-F479 PolarHBondContact O-N 3.44Å; G476-E480 PolarHBondContact O-N 3.13Å
477I92.3Very high91.3Very high51 Ų5143.7 Ų43.726%0.26227%0.272SS..Hα-helixtrans-58.2-28.4175.8-165.463.3000113.4P475 R481 I535 I543P475-I477 HydrophobicContact CB-CG2 4.27Å; P475-I477 PolarHBondContact O-N 3.45Å; I477-R481 HydrophobicContact CD1-CG 3.82Å; I477-R481 HydrophobicContact CG1-CG 3.96Å; I477-R481 VanDerWaalsContact O-CB 3.27Å; I477-R481 WeakPolarHBondContact O-CB 3.26Å; I477-R481 WeakPolarHBondContact O-CG 3.46Å; I477-R481 PolarHBondContact O-N 3.25Å; I477-I535 HydrophobicContact CG1-CG2 4.5Å; I477-I543 HydrophobicContact CG2-CD1 4.15Å
478C95Very high91.2Very high0 Ų045.6 Ų45.60%029%0.285CS..Hα-helixtrans-63.9-49.9172.5-73.60000111.2A474 P475 G476 V482 Q514 I535 C545A474-C478 HydrophobicContact CB-CB 3.71Å; P475-C478 VanDerWaalsContact O-CB 3.27Å; P475-C478 WeakPolarHBondContact O-CB 2.93Å; P475-C478 PolarHBondContact O-N 3.1Å; G476-C478 PolarHBondContact O-N 2.83Å; G476-C478 VanDerWaalsContact O-N 3.16Å; C478-V482 VanDerWaalsContact O-CB 3.24Å; C478-V482 WeakPolarHBondContact O-CB 3.37Å; C478-V482 VanDerWaalsContact O-CG2 3.23Å; C478-V482 WeakPolarHBondContact O-CG2 3.48Å; C478-V482 PolarHBondContact O-N 3.2Å; C478-Q514 HydrophobicContact CB-CB 3.84Å; C478-Q514 HydrophobicContact CB-CG 4.12Å; C478-I535 HydrophobicContact CB-CD1 4.45Å; C478-C545 VanDerWaalsContact CA-SG 3.55Å; C478-C545 HydrophobicContact CB-CB 3.64Å; C478-C545 WeakPolarHBondContact CB-SG 3.41Å; C478-C545 WeakPolarHBondContact SG-CB 3.21Å; C478-C545 CovalentContact SG-SG 2.03Å; C478-C545 PolarHBondContact SG-SG 2.65Å
479F95.8Very high91.5Very high4 Ų449.2 Ų49.22%0.01829%0.294CS..Hα-helixtrans-61.7-50178-69.7-96.5000110.8H459 A474 G476 R481 N483 A508 K509 I513 Q514 V562H459-F479 AromaticContact CD2-CE1 3.9Å; H459-F479 AromaticContact CD2-CZ 3.85Å; A474-F479 WeakPolarHBondContact O-CE2 3.25Å; G476-F479 WeakPolarHBondContact O-CB 3.48Å; G476-F479 PolarHBondContact O-N 3.44Å; F479-R481 PolarHBondContact O-N 3.11Å; F479-N483 WeakPolarHBondContact O-CB 3.15Å; F479-N483 PolarHBondContact O-N 3.43Å; F479-A508 HydrophobicContact CB-CB 4.33Å; F479-K509 HydrophobicContact CB-CG 4.33Å; F479-K509 HydrophobicContact CD1-CG 4.43Å; F479-K509 HydrophobicContact CG-CG 4.22Å; F479-I513 HydrophobicContact CE1-CG1 4.29Å; F479-I513 HydrophobicContact CZ-CG1 4.32Å; F479-Q514 HydrophobicContact CD1-CB 4.33Å; F479-Q514 HydrophobicContact CD1-CG 4.12Å; F479-Q514 HydrophobicContact CD2-CB 3.98Å; F479-Q514 HydrophobicContact CD2-CG 4.33Å; F479-Q514 HydrophobicContact CE1-CB 4.25Å; F479-Q514 HydrophobicContact CE1-CG 4.42Å; F479-Q514 HydrophobicContact CE2-CB 3.85Å; F479-Q514 WeakPolarHBondContact CE2-O 3.19Å; F479-Q514 HydrophobicContact CG-CB 4.22Å; F479-Q514 HydrophobicContact CG-CG 4.08Å; F479-Q514 HydrophobicContact CZ-CB 4Å; F479-Q514 WeakPolarHBondContact CZ-O 3.45Å; F479-V562 HydrophobicContact CE1-CG2 4.12Å
480E95.1Very high92Very high90 Ų9044.8 Ų44.842%0.42126%0.257SS..Hα-helixtrans-59.1-48.5-179.2-71167.3-147.800112.6G476 S484 A508G476-E480 PolarHBondContact O-N 3.13Å; E480-S484 VanDerWaalsContact O-CB 3.24Å; E480-S484 WeakPolarHBondContact O-CB 3.48Å; E480-S484 PolarHBondContact O-N 2.77Å; E480-S484 PolarHBondContact O-OG 3.23Å; E480-A508 HydrophobicContact CG-CB 4.17Å
481R93.4Very high92.3Very high149 Ų14942.1 Ų42.156%0.56223%0.228SC*.Hα-helixtrans-73-50.4-176.9-66.6-66.2-174.7158.90.6112I477 F479 S484 I535I477-R481 HydrophobicContact CD1-CG 3.82Å; I477-R481 HydrophobicContact CG1-CG 3.96Å; I477-R481 VanDerWaalsContact O-CB 3.27Å; I477-R481 WeakPolarHBondContact O-CB 3.26Å; I477-R481 WeakPolarHBondContact O-CG 3.46Å; I477-R481 PolarHBondContact O-N 3.25Å; F479-R481 PolarHBondContact O-N 3.11Å; R481-S484 PolarHBondContact O-N 3.09Å; R481-S484 PolarHBondContact O-OG 3.11Å; R481-I535 HydrophobicContact CB-CD1 3.63Å; R481-I535 HydrophobicContact CB-CG1 4.41Å; R481-I535 HydrophobicContact CG-CD1 3.97Å; R481-I535 HydrophobicContact CG-CG2 4.41Å
482V93.9Very high92.3Very high14 Ų1442.8 Ų42.89%0.08523%0.233CC..Hα-helixtrans-63.9-47.9-177.4178.80000109.7C478 S484 A485 G490 T533C478-V482 VanDerWaalsContact O-CB 3.24Å; C478-V482 WeakPolarHBondContact O-CB 3.37Å; C478-V482 VanDerWaalsContact O-CG2 3.23Å; C478-V482 WeakPolarHBondContact O-CG2 3.48Å; C478-V482 PolarHBondContact O-N 3.2Å; V482-S484 VanDerWaalsContact C-N 3.27Å; V482-S484 PolarHBondContact O-N 2.93Å; V482-A485 VanDerWaalsContact O-CB 3.24Å; V482-A485 WeakPolarHBondContact O-CB 3.29Å; V482-A485 PolarHBondContact O-N 3.46Å; V482-A485 VanDerWaalsContact O-N 3.12Å; V482-G490 WeakPolarHBondContact O-CA 3.44Å; V482-T533 HydrophobicContact CG2-CG2 3.99Å
483N95.6Very high91.7Very high0 Ų037 Ų370%021%0.209CC..Hα-helixtrans-79.4-7.9-173.3-55.3-19.9000114.3F479 A485 C503 A508 K512F479-N483 WeakPolarHBondContact O-CB 3.15Å; F479-N483 PolarHBondContact O-N 3.43Å; N483-A485 PolarHBondContact O-N 2.88Å; N483-C503 HydrophobicContact CB-CB 3.97Å; N483-C503 WeakPolarHBondContact CB-SG 3.44Å; N483-C503 PolarHBondContact O-N 2.71Å; N483-A508 PolarHBondContact ND2-O 3.46Å; N483-K512 PolarHBondContact ND2-N 2.89Å; N483-K512 PolarHBondContact ND2-O 2.88Å; N483-K512 WeakPolarHBondContact OD1-CB 2.96Å; N483-K512 PolarHBondContact OD1-O 3.44Å
484S94.9Very high90.9Very high58 Ų5836.1 Ų36.141%0.40620%0.2SC..THydrogen-bonded Turntrans-73.8-12.2167.373.80000114E480 R481 V482 K502E480-S484 VanDerWaalsContact O-CB 3.24Å; E480-S484 WeakPolarHBondContact O-CB 3.48Å; E480-S484 PolarHBondContact O-N 2.77Å; E480-S484 PolarHBondContact O-OG 3.23Å; R481-S484 PolarHBondContact O-N 3.09Å; R481-S484 PolarHBondContact O-OG 3.11Å; V482-S484 VanDerWaalsContact C-N 3.27Å; V482-S484 PolarHBondContact O-N 2.93Å; S484-K502 WeakPolarHBondContact O-CD 3.4Å
485A92Very high89.9Confident38 Ų3838 Ų3831%0.31421%0.208SC..SBendtrans-63.8-49.6179.600000111.7V482 N483 D487 K502V482-A485 VanDerWaalsContact O-CB 3.24Å; V482-A485 WeakPolarHBondContact O-CB 3.29Å; V482-A485 PolarHBondContact O-N 3.46Å; V482-A485 VanDerWaalsContact O-N 3.12Å; N483-A485 PolarHBondContact O-N 2.88Å; A485-D487 HydrophobicContact CB-CB 4.48Å; A485-K502 WeakPolarHBondContact O-CE 3.46Å; A485-K502 PolarHBondContact O-NZ 3.16Å
486G90.3Very high88.9Confident19 Ų1941.5 Ų41.520%0.19623%0.234CC..  trans72.244.9-172.900000111.7G490 F500G486-G490 WeakPolarHBondContact CA-O 3.22Å; G486-G490 PolarHBondContact N-O 3.49Å; G486-F500 WeakPolarHBondContact O-CB 3.29Å
487D87.8Confident88Confident59 Ų5949.7 Ų49.732%0.31626%0.257SS..SBendtrans-126.9177.2-18073.523.4000109.9A485 Y489 G490 N491A485-D487 HydrophobicContact CB-CB 4.48Å; D487-Y489 PolarHBondContact O-N 3.29Å; D487-Y489 WeakPolarHBondContact OD1-CA 3.44Å; D487-Y489 WeakPolarHBondContact OD1-CB 3.39Å; D487-Y489 PolarHBondContact OD1-N 2.89Å; D487-G490 PolarHBondContact N-O 2.96Å; D487-G490 VanDerWaalsContact N-O 3.12Å; D487-G490 CarbonylContact O-C 3.52Å; D487-G490 PolarHBondContact O-N 3.07Å; D487-G490 PolarHBondContact OD1-N 2.86Å; D487-N491 WeakPolarHBondContact O-CB 3.44Å; D487-N491 PolarHBondContact O-ND2 3.15Å
488P81.6Confident87Confident41 Ų4148.7 Ų48.727%0.26626%0.259SS..SBendtrans-56.7-24.3-178.6-23.732.2000114.8N491 F500P488-N491 PolarHBondContact O-ND2 2.78Å; P488-F500 HydrophobicContact CB-CE1 4.5Å; P488-F500 HydrophobicContact CB-CE2 3.93Å; P488-F500 HydrophobicContact CB-CZ 3.9Å; P488-F500 HydrophobicContact CG-CD2 4.02Å; P488-F500 HydrophobicContact CG-CE2 3.59Å; P488-F500 HydrophobicContact CG-CZ 4.09Å
489Y85.8Confident86.4Confident94 Ų9451.8 Ų51.837%0.36928%0.281SS..SBendtrans-95.8-31.1-172-49.7-58.9000112.6D487 K512 I531 H549D487-Y489 PolarHBondContact O-N 3.29Å; D487-Y489 WeakPolarHBondContact OD1-CA 3.44Å; D487-Y489 WeakPolarHBondContact OD1-CB 3.39Å; D487-Y489 PolarHBondContact OD1-N 2.89Å; Y489-K512 WeakPolarHBondContact O-CE 3.3Å; Y489-I531 HydrophobicContact CD1-CD1 3.58Å; Y489-I531 HydrophobicContact CD1-CG1 3.85Å; Y489-I531 HydrophobicContact CD1-CG2 4.37Å; Y489-I531 HydrophobicContact CE1-CD1 3.74Å; Y489-I531 HydrophobicContact CE1-CG1 4.49Å; Y489-I531 HydrophobicContact CG-CD1 4.5Å; Y489-I531 HydrophobicContact CG-CG2 4.35Å; Y489-H549 HydrophobicContact CD1-CB 4.14Å; Y489-H549 HydrophobicContact CE1-CB 4.5Å
490G90.8Very high86Confident0 Ų054.2 Ų54.20%029%0.292CS..SBendtrans-139.9104.8178.800000112.8V482 G486 D487V482-G490 WeakPolarHBondContact O-CA 3.44Å; G486-G490 WeakPolarHBondContact CA-O 3.22Å; G486-G490 PolarHBondContact N-O 3.49Å; D487-G490 PolarHBondContact N-O 2.96Å; D487-G490 VanDerWaalsContact N-O 3.12Å; D487-G490 CarbonylContact O-C 3.52Å; D487-G490 PolarHBondContact O-N 3.07Å; D487-G490 PolarHBondContact OD1-N 2.86Å
491N91.9Very high85.7Confident3 Ų351.4 Ų51.42%0.01628%0.284CS..  trans-157168.4-174.958.875.5000112.8D487 P488 G493 F500 A501 C503 G511 K512D487-N491 WeakPolarHBondContact O-CB 3.44Å; D487-N491 PolarHBondContact O-ND2 3.15Å; P488-N491 PolarHBondContact O-ND2 2.78Å; N491-G493 WeakPolarHBondContact OD1-CA 3.36Å; N491-G493 PolarHBondContact OD1-N 2.73Å; N491-F500 HydrophobicContact CB-CB 4.07Å; N491-F500 HydrophobicContact CB-CD1 4.01Å; N491-F500 HydrophobicContact CB-CG 4.48Å; N491-F500 VanDerWaalsContact ND2-CD1 3.34Å; N491-F500 WeakPolarHBondContact ND2-CD1 3.44Å; N491-A501 CarbonylContact C-O 3.45Å; N491-A501 VanDerWaalsContact CA-O 3.3Å; N491-A501 WeakPolarHBondContact CA-O 3.49Å; N491-A501 WeakPolarHBondContact CB-O 3.38Å; N491-C503 VanDerWaalsContact C-SG 3.59Å; N491-G511 CarbonylContact O-C 3.53Å; N491-G511 WeakPolarHBondContact O-CA 3.43Å; N491-K512 PolarHBondContact O-N 2.4Å
492C91.3Very high85.7Confident16 Ų1651.2 Ų51.211%0.10829%0.287CS..SBendtrans-101.351164.5-91.70000110.4A501 C503 R577C492-A501 PolarHBondContact N-O 2.83Å; C492-C503 WeakPolarHBondContact CA-SG 3.34Å; C492-C503 HydrophobicContact CB-CB 4.05Å; C492-C503 WeakPolarHBondContact CB-SG 3.28Å; C492-C503 PolarHBondContact N-SG 3.31Å; C492-C503 VanDerWaalsContact N-SG 3.36Å; C492-C503 WeakPolarHBondContact SG-CA 3.35Å; C492-C503 WeakPolarHBondContact SG-CB 3.16Å; C492-C503 CovalentContact SG-SG 2.02Å; C492-C503 PolarHBondContact SG-SG 2.72Å; C492-R577 WeakPolarHBondContact O-CD 3.25Å
493G82.6Confident85.7Confident3 Ų351.2 Ų51.23%0.03129%0.287CS..  trans67.6-145.1-170.800000112.4N491 F500 A501N491-G493 WeakPolarHBondContact OD1-CA 3.36Å; N491-G493 PolarHBondContact OD1-N 2.73Å; G493-F500 WeakPolarHBondContact O-CA 3.43Å; G493-A501 PolarHBondContact O-N 2.91Å
494K77.4Confident85.7Confident32 Ų3256 Ų5614%0.13931%0.313CS..BIsolated β-bridgetrans-123.4152-175.6-70.3177.4167.4-158.90112.5G498 S499 F500 D554K494-G498 VanDerWaalsContact CD-O 3.28Å; K494-G498 WeakPolarHBondContact CD-O 3.28Å; K494-G498 VanDerWaalsContact CE-O 3.32Å; K494-G498 WeakPolarHBondContact CE-O 3.28Å; K494-G498 PolarHBondContact NZ-O 3.1Å; K494-S499 CarbonylContact C-O 3.55Å; K494-S499 VanDerWaalsContact CA-O 3.27Å; K494-S499 WeakPolarHBondContact CA-O 3.43Å; K494-F500 HydrophobicContact CD-CD1 4.47Å; K494-F500 HydrophobicContact CD-CE1 4.24Å; K494-F500 HydrophobicContact CD-CZ 4.48Å; K494-F500 HydrophobicContact CG-CD1 3.79Å; K494-F500 HydrophobicContact CG-CE1 4Å; K494-F500 HydrophobicContact CG-CG 4.28Å; K494-D554 WeakPolarHBondContact CD-O 3.22Å; K494-D554 WeakPolarHBondContact CE-O 3.24Å; K494-D554 PolarHBondContact NZ-O 2.81Å; K494-D554 IonicContact NZ-OD1 3.16Å; K494-D554 PolarHBondContact NZ-OD1 3.11Å; K494-D554 IonicContact NZ-OD2 2.76Å
495D74.9Confident85.6Confident47 Ų4756.8 Ų56.825%0.25132%0.323SS..  trans-77.8174.9168.282.4-10000111.7R497 G498 S499D495-R497 PolarHBondContact O-N 3.2Å; D495-R497 WeakPolarHBondContact OD1-CA 3.28Å; D495-R497 WeakPolarHBondContact OD1-CB 3.4Å; D495-R497 PolarHBondContact OD1-N 2.97Å; D495-R497 IonicContact OD2-CZ 3.86Å; D495-R497 VanDerWaalsContact OD2-CZ 3.23Å; D495-R497 IonicContact OD2-NE 2.76Å; D495-R497 PolarHBondContact OD2-NE 3.09Å; D495-R497 IonicContact OD2-NH2 3.53Å; D495-R497 PolarHBondContact OD2-NH2 3.22Å; D495-G498 PolarHBondContact O-N 2.94Å; D495-G498 PolarHBondContact OD1-N 3.38Å; D495-S499 PolarHBondContact N-O 2.93Å; D495-S499 WeakPolarHBondContact OD1-CB 3.21Å; D495-S499 PolarHBondContact OD1-N 2.85Å
496S70.9Confident85.8Confident128 Ų12863 Ų6390%0.89534%0.339SS*.THydrogen-bonded Turntrans-67.26.617958.20000115.1
497R74.4Confident86.1Confident197 Ų19762.4 Ų62.474%0.74333%0.331SS*.THydrogen-bonded Turntrans-117.515.8175.1-57.2171.1-67.1-177.70.2111.2D495 S499D495-R497 PolarHBondContact O-N 3.2Å; D495-R497 WeakPolarHBondContact OD1-CA 3.28Å; D495-R497 WeakPolarHBondContact OD1-CB 3.4Å; D495-R497 PolarHBondContact OD1-N 2.97Å; D495-R497 IonicContact OD2-CZ 3.86Å; D495-R497 VanDerWaalsContact OD2-CZ 3.23Å; D495-R497 IonicContact OD2-NE 2.76Å; D495-R497 PolarHBondContact OD2-NE 3.09Å; D495-R497 IonicContact OD2-NH2 3.53Å; D495-R497 PolarHBondContact OD2-NH2 3.22Å; R497-S499 PolarHBondContact O-N 3.4Å
498G71.1Confident86.4Confident30 Ų3059.7 Ų59.731%0.30932%0.317SS..SBendtrans70.66.1-179.200000114.5K494 D495K494-G498 VanDerWaalsContact CD-O 3.28Å; K494-G498 WeakPolarHBondContact CD-O 3.28Å; K494-G498 VanDerWaalsContact CE-O 3.32Å; K494-G498 WeakPolarHBondContact CE-O 3.28Å; K494-G498 PolarHBondContact NZ-O 3.1Å; D495-G498 PolarHBondContact O-N 2.94Å; D495-G498 PolarHBondContact OD1-N 3.38Å
499S82.8Confident87.1Confident65 Ų6561.8 Ų61.846%0.45532%0.322SS..PPolyproline II helixtrans-87134.6-178-63.30000110.7K494 D495 R497 A501K494-S499 CarbonylContact C-O 3.55Å; K494-S499 VanDerWaalsContact CA-O 3.27Å; K494-S499 WeakPolarHBondContact CA-O 3.43Å; D495-S499 PolarHBondContact N-O 2.93Å; D495-S499 WeakPolarHBondContact OD1-CB 3.21Å; D495-S499 PolarHBondContact OD1-N 2.85Å; R497-S499 PolarHBondContact O-N 3.4Å; S499-A501 PolarHBondContact O-N 3.33Å
500F86.5Confident87.6Confident56 Ų5657.3 Ų57.325%0.24630%0.304CS..BIsolated β-bridgetrans-60.9123.2179.1-70.2-76.1000111.5G486 P488 N491 G493 K494G486-F500 WeakPolarHBondContact O-CB 3.29Å; P488-F500 HydrophobicContact CB-CE1 4.5Å; P488-F500 HydrophobicContact CB-CE2 3.93Å; P488-F500 HydrophobicContact CB-CZ 3.9Å; P488-F500 HydrophobicContact CG-CD2 4.02Å; P488-F500 HydrophobicContact CG-CE2 3.59Å; P488-F500 HydrophobicContact CG-CZ 4.09Å; N491-F500 HydrophobicContact CB-CB 4.07Å; N491-F500 HydrophobicContact CB-CD1 4.01Å; N491-F500 HydrophobicContact CB-CG 4.48Å; N491-F500 VanDerWaalsContact ND2-CD1 3.34Å; N491-F500 WeakPolarHBondContact ND2-CD1 3.44Å; G493-F500 WeakPolarHBondContact O-CA 3.43Å; K494-F500 HydrophobicContact CD-CD1 4.47Å; K494-F500 HydrophobicContact CD-CE1 4.24Å; K494-F500 HydrophobicContact CD-CZ 4.48Å; K494-F500 HydrophobicContact CG-CD1 3.79Å; K494-F500 HydrophobicContact CG-CE1 4Å; K494-F500 HydrophobicContact CG-CG 4.28Å
501A89.1Confident87.7Confident31 Ų3157.3 Ų57.326%0.25630%0.304SS..PPolyproline II helixtrans-84.2133.7-178.200000110.4N491 C492 G493 S499N491-A501 CarbonylContact C-O 3.45Å; N491-A501 VanDerWaalsContact CA-O 3.3Å; N491-A501 WeakPolarHBondContact CA-O 3.49Å; N491-A501 WeakPolarHBondContact CB-O 3.38Å; C492-A501 PolarHBondContact N-O 2.83Å; G493-A501 PolarHBondContact O-N 2.91Å; S499-A501 PolarHBondContact O-N 3.33Å
502K93.8Very high87.7Confident145 Ų14557.3 Ų57.363%0.6330%0.304SS*.PPolyproline II helixtrans-68.5136.6167.9-62.8-176.4-178.9-133.60109S484 A485S484-K502 WeakPolarHBondContact O-CD 3.4Å; A485-K502 WeakPolarHBondContact O-CE 3.46Å; A485-K502 PolarHBondContact O-NZ 3.16Å
503C94.6Very high87.8Confident13 Ų1356.6 Ų56.69%0.08830%0.299CS..PPolyproline II helixtrans-74.2138.4168.3-67.40000111N483 N491 C492 A508N483-C503 HydrophobicContact CB-CB 3.97Å; N483-C503 WeakPolarHBondContact CB-SG 3.44Å; N483-C503 PolarHBondContact O-N 2.71Å; N491-C503 VanDerWaalsContact C-SG 3.59Å; C492-C503 WeakPolarHBondContact CA-SG 3.34Å; C492-C503 HydrophobicContact CB-CB 4.05Å; C492-C503 WeakPolarHBondContact CB-SG 3.28Å; C492-C503 PolarHBondContact N-SG 3.31Å; C492-C503 VanDerWaalsContact N-SG 3.36Å; C492-C503 WeakPolarHBondContact SG-CA 3.35Å; C492-C503 WeakPolarHBondContact SG-CB 3.16Å; C492-C503 CovalentContact SG-SG 2.02Å; C492-C503 PolarHBondContact SG-SG 2.72Å; C503-A508 HydrophobicContact CB-CB 4.26Å
504D95Very high88.4Confident100 Ų10056.5 Ų56.554%0.53530%0.298SS..PPolyproline II helixtrans-63.7152154.7-75.6-30.4000109.4R506 D507 A508D504-R506 HydrophobicContact CB-CG 4.34Å; D504-R506 PolarHBondContact O-N 2.9Å; D504-R506 VanDerWaalsContact O-N 3.16Å; D504-R506 IonicContact OD2-NH2 3.44Å; D504-D507 HydrophobicContact CB-CB 4.4Å; D504-D507 CarbonylContact O-C 3.54Å; D504-D507 WeakPolarHBondContact O-CA 3.2Å; D504-D507 PolarHBondContact O-N 3.24Å; D504-A508 PolarHBondContact O-N 2.74Å
505A93.7Very high89.2Confident76 Ų7655 Ų5563%0.62829%0.291SS*.THydrogen-bonded Turntrans-56.8-35.9-176.600000113.5D507 A508A505-D507 VanDerWaalsContact C-N 3.31Å; A505-D507 PolarHBondContact O-N 2.93Å; A505-A508 WeakPolarHBondContact O-CB 3.14Å
506R95.1Very high90.1Very high168 Ų16855.9 Ų55.963%0.63429%0.294SS*.THydrogen-bonded Turntrans-67.3-30.4175.575.1-177.5179-167-11.8113.1D504 C579D504-R506 HydrophobicContact CB-CG 4.34Å; D504-R506 PolarHBondContact O-N 2.9Å; D504-R506 VanDerWaalsContact O-N 3.16Å; D504-R506 IonicContact OD2-NH2 3.44Å; R506-C579 VanDerWaalsContact O-CB 3.28Å; R506-C579 WeakPolarHBondContact O-CB 3.44Å
507D95.9Very high90.8Very high6 Ų651.5 Ų51.53%0.03227%0.269CS..THydrogen-bonded Turntrans-95.3-9.6-173.2-64.7-53.5000111.5D504 A505 K509 C510 G511 Q578 C579D504-D507 HydrophobicContact CB-CB 4.4Å; D504-D507 CarbonylContact O-C 3.54Å; D504-D507 WeakPolarHBondContact O-CA 3.2Å; D504-D507 PolarHBondContact O-N 3.24Å; A505-D507 VanDerWaalsContact C-N 3.31Å; A505-D507 PolarHBondContact O-N 2.93Å; D507-K509 PolarHBondContact O-N 2.74Å; D507-K509 VanDerWaalsContact O-N 3.11Å; D507-C510 WeakPolarHBondContact O-CA 2.9Å; D507-C510 WeakPolarHBondContact O-CB 3.26Å; D507-C510 PolarHBondContact O-N 2.98Å; D507-G511 PolarHBondContact O-N 2.67Å; D507-Q578 WeakPolarHBondContact OD1-CA 3.36Å; D507-C579 PolarHBondContact OD1-N 3.29Å
508A96.1Very high91.4Very high2 Ų243.4 Ų43.42%0.01725%0.247CC..G310 helixtrans-54.2-34.3-176.500000114.2F479 E480 N483 C503 D504 A505 C510 G511F479-A508 HydrophobicContact CB-CB 4.33Å; E480-A508 HydrophobicContact CG-CB 4.17Å; N483-A508 PolarHBondContact ND2-O 3.46Å; C503-A508 HydrophobicContact CB-CB 4.26Å; D504-A508 PolarHBondContact O-N 2.74Å; A505-A508 WeakPolarHBondContact O-CB 3.14Å; A508-C510 PolarHBondContact O-N 3.46Å; A508-G511 PolarHBondContact O-N 2.91Å
509K96Very high91.8Very high86 Ų8644 Ų4437%0.37425%0.249SC..G310 helixtrans-72.2-4174.8-79.3-176.3178.2-176.50114.8H459 F479 D507 V562 C568H459-K509 PolarHBondContact NE2-O 2.95Å; F479-K509 HydrophobicContact CB-CG 4.33Å; F479-K509 HydrophobicContact CD1-CG 4.43Å; F479-K509 HydrophobicContact CG-CG 4.22Å; D507-K509 PolarHBondContact O-N 2.74Å; D507-K509 VanDerWaalsContact O-N 3.11Å; K509-V562 WeakPolarHBondContact O-CG2 3.44Å; K509-C568 HydrophobicContact CB-CB 4.03Å; K509-C568 VanDerWaalsContact CD-O 3.24Å; K509-C568 WeakPolarHBondContact CD-O 3.28Å
510C95.4Very high91.4Very high0 Ų047.2 Ų47.20%026%0.261CS..G310 helixtrans-114.23.5176.3-58.70000113.6D507 A508 C568 C574D507-C510 WeakPolarHBondContact O-CA 2.9Å; D507-C510 WeakPolarHBondContact O-CB 3.26Å; D507-C510 PolarHBondContact O-N 2.98Å; A508-C510 PolarHBondContact O-N 3.46Å; C510-C568 WeakPolarHBondContact SG-CB 3.43Å; C510-C574 WeakPolarHBondContact CA-SG 3.39Å; C510-C574 HydrophobicContact CB-CB 3.66Å; C510-C574 WeakPolarHBondContact CB-SG 3.37Å; C510-C574 WeakPolarHBondContact SG-CA 3.39Å; C510-C574 WeakPolarHBondContact SG-CB 3.45Å; C510-C574 CovalentContact SG-SG 2.04Å; C510-C574 PolarHBondContact SG-SG 2.72Å
511G93.1Very high90.7Very high0 Ų052.5 Ų52.50%028%0.279CS..SBendtrans-85.6-141.3170.200000112.7N491 D507 A508 I513 V562N491-G511 CarbonylContact O-C 3.53Å; N491-G511 WeakPolarHBondContact O-CA 3.43Å; D507-G511 PolarHBondContact O-N 2.67Å; A508-G511 PolarHBondContact O-N 2.91Å; G511-I513 PolarHBondContact O-N 3.39Å; G511-V562 WeakPolarHBondContact O-CG2 3.03Å; G511-V562 PolarHBondContact O-N 2.77Å
512K91.9Very high89.9Confident2 Ų251.6 Ų51.61%0.00927%0.271CS..BIsolated β-bridgetrans-63.9130.9175.5-61.3-81-71.5155.50111.1N483 Y489 N491 T548 D558 G560 L561N483-K512 PolarHBondContact ND2-N 2.89Å; N483-K512 PolarHBondContact ND2-O 2.88Å; N483-K512 WeakPolarHBondContact OD1-CB 2.96Å; N483-K512 PolarHBondContact OD1-O 3.44Å; Y489-K512 WeakPolarHBondContact O-CE 3.3Å; N491-K512 PolarHBondContact O-N 2.4Å; K512-T548 PolarHBondContact NZ-O 2.94Å; K512-D558 IonicContact NZ-OD1 3.23Å; K512-D558 PolarHBondContact NZ-OD1 3.44Å; K512-D558 VanDerWaalsContact NZ-OD1 3.15Å; K512-D558 IonicContact NZ-OD2 3.06Å; K512-D558 PolarHBondContact NZ-OD2 2.91Å; K512-G560 CarbonylContact C-O 3.39Å; K512-G560 WeakPolarHBondContact CA-O 3.29Å; K512-G560 PolarHBondContact NZ-O 2.93Å; K512-L561 HydrophobicContact CD-CD2 3.74Å; K512-L561 HydrophobicContact CD-CG 4.13Å; K512-L561 HydrophobicContact CG-CD2 4.03Å
513I93.2Very high88.6Confident1 Ų147.1 Ų47.11%0.00526%0.255CS..  trans-70.6137.6-179.1-167.2170.8000111.4Q462 L466 F479 G511 G560 V562Q462-I513 HydrophobicContact CB-CD1 3.63Å; Q462-I513 HydrophobicContact CG-CD1 3.61Å; L466-I513 HydrophobicContact CD1-CD1 4.44Å; L466-I513 HydrophobicContact CD1-CG2 3.42Å; L466-I513 VanDerWaalsContact CD1-CG2 3.42Å; F479-I513 HydrophobicContact CE1-CG1 4.29Å; F479-I513 HydrophobicContact CZ-CG1 4.32Å; G511-I513 PolarHBondContact O-N 3.39Å; I513-G560 PolarHBondContact N-O 2.94Å; I513-V562 HydrophobicContact CB-CG2 3.75Å; I513-V562 HydrophobicContact CG1-CG2 4.03Å
514Q95.1Very high87Confident1 Ų147.3 Ų47.31%0.00526%0.255CS..  trans-118.3127.3177.1-55.3-59.7-42.300109.6A474 C478 F479A474-Q514 HydrophobicContact CB-CB 3.78Å; A474-Q514 WeakPolarHBondContact CB-O 3.3Å; A474-Q514 PolarHBondContact N-O 3.04Å; C478-Q514 HydrophobicContact CB-CB 3.84Å; C478-Q514 HydrophobicContact CB-CG 4.12Å; F479-Q514 HydrophobicContact CD1-CB 4.33Å; F479-Q514 HydrophobicContact CD1-CG 4.12Å; F479-Q514 HydrophobicContact CD2-CB 3.98Å; F479-Q514 HydrophobicContact CD2-CG 4.33Å; F479-Q514 HydrophobicContact CE1-CB 4.25Å; F479-Q514 HydrophobicContact CE1-CG 4.42Å; F479-Q514 HydrophobicContact CE2-CB 3.85Å; F479-Q514 WeakPolarHBondContact CE2-O 3.19Å; F479-Q514 HydrophobicContact CG-CB 4.22Å; F479-Q514 HydrophobicContact CG-CG 4.08Å; F479-Q514 HydrophobicContact CZ-CB 4Å; F479-Q514 WeakPolarHBondContact CZ-O 3.45Å
515C94.5Very high85Confident1 Ų144.2 Ų44.21%0.00725%0.247CC..EExtended strand (participates in β ladder)trans-127.2168.2-174.6-57.20000111.8C463 W467 K472 R546C463-C515 WeakPolarHBondContact CA-SG 3.07Å; C463-C515 HydrophobicContact CB-CB 3.81Å; C463-C515 WeakPolarHBondContact CB-SG 3.29Å; C463-C515 VanDerWaalsContact SG-CA 3.59Å; C463-C515 WeakPolarHBondContact SG-CB 3.35Å; C463-C515 CovalentContact SG-SG 2.04Å; C463-C515 PolarHBondContact SG-SG 3.44Å; W467-C515 PolarHBondContact NE1-SG 3.2Å; K472-C515 CarbonylContact O-C 3.57Å; K472-C515 VanDerWaalsContact O-CA 3.25Å; K472-C515 WeakPolarHBondContact O-CA 3.45Å; C515-R546 PolarHBondContact N-O 2.6Å; C515-R546 WeakPolarHBondContact O-CB 3.45Å; C515-R546 PolarHBondContact O-N 3.03Å
516Q93.1Very high83Confident65 Ų6543.8 Ų43.830%0.30424%0.237SC..EExtended strand (participates in β ladder)trans-140.5154.3172.3-68.4-174.9-31.800110.1A471 K472 A474 L544A471-Q516 CarbonylContact C-O 3.49Å; A471-Q516 WeakPolarHBondContact CA-O 3.5Å; K472-Q516 PolarHBondContact N-O 3.44Å; K472-Q516 PolarHBondContact O-N 2.96Å; A474-Q516 HydrophobicContact CB-CG 3.95Å; Q516-L544 PolarHBondContact NE2-O 3.41Å
517G87.4Confident81.2Confident37 Ų3736.3 Ų36.338%0.38121%0.21SC..EExtended strand (participates in β ladder)trans72.8-154.5-177.700000113.4R546G517-R546 PolarHBondContact O-NH1 3.19Å
518G85.3Confident79.9Confident26 Ų2636.2 Ų36.227%0.26821%0.209SC..SBendtrans68.7-163.2-175.800000114.3G470G470-G518 PolarHBondContact O-N 2.79Å
519A79.9Confident79Confident43 Ų4338.8 Ų38.836%0.35523%0.225SC..  trans-68.5159.4175.800000112.6W467 R521 V523W467-A519 WeakPolarHBondContact O-CB 3.48Å; W467-A519 PolarHBondContact O-N 2.79Å; A519-R521 PolarHBondContact O-N 3.04Å; A519-V523 HydrophobicContact CB-CG1 4.32Å
520N74.5Confident78.4Confident132 Ų13236.4 Ų36.471%0.70622%0.219SC*.SBendtrans-73.8-11.7-179.6-66.7-23.4000113.9
521R72.9Confident77.9Confident167 Ų16737.9 Ų37.963%0.6323%0.227SC*.SBendtrans-133151.5173.4-66.1-176.666115.91.4108.5A519A519-R521 PolarHBondContact O-N 3.04Å
522P70.8Confident77.7Confident12 Ų1242.3 Ų42.38%0.07825%0.247CC..  trans-59.4144.6171.7-18.130.6000110.3L466 W467 A528 T548L466-P522 CarbonylContact O-C 3.48Å; L466-P522 WeakPolarHBondContact O-CA 3.19Å; L466-P522 WeakPolarHBondContact O-CB 3.31Å; W467-P522 HydrophobicContact CE3-CB 4.5Å; W467-P522 HydrophobicContact CE3-CG 4.19Å; W467-P522 HydrophobicContact CH2-CG 3.86Å; W467-P522 HydrophobicContact CZ2-CG 4.36Å; W467-P522 HydrophobicContact CZ3-CG 3.75Å; P522-A528 HydrophobicContact CB-CB 3.59Å; P522-A528 HydrophobicContact CG-CB 3.75Å; P522-T548 WeakPolarHBondContact CG-OG1 3.48Å
523V66.8Low77.5Confident51 Ų5144.6 Ų44.631%0.30926%0.261SS..SBendtrans-91.6-1.5-179.4-59.20000113.1T465 L466 A519T465-V523 WeakPolarHBondContact O-CG2 3.38Å; L466-V523 PolarHBondContact O-N 3.21Å; A519-V523 HydrophobicContact CB-CG1 4.32Å
524I61.7Low77.3Confident17 Ų1748 Ų489%0.08728%0.28CS..SBendtrans-97.2111.7178.1108.4170.2000109.2T465 L466 A528 P559T465-I524 WeakPolarHBondContact O-CG2 3.22Å; L466-I524 HydrophobicContact CD2-CD1 3.88Å; L466-I524 HydrophobicContact CD2-CG1 4.43Å; L466-I524 HydrophobicContact CD2-CG2 3.84Å; I524-A528 VanDerWaalsContact O-CB 3.24Å; I524-A528 WeakPolarHBondContact O-CB 3.11Å; I524-P559 HydrophobicContact CD1-CB 3.36Å; I524-P559 HydrophobicContact CD1-CG 3.76Å
525G53.4Low77Confident35 Ų3548.5 Ų48.536%0.36128%0.282SS..  trans61.4173.5174.900000115.6
526T51Low76.6Confident67 Ų6753 Ų5341%0.41131%0.312SS..SBendtrans-87.2-15.8-178.343.10000113.6H111H111-T526 PolarHBondContact O-OG1 3.34Å
527N57.1Low76.1Confident12 Ų1253.5 Ų53.56%0.06432%0.316CS..SBendtrans-96.3-2.6-174.5-53.8-52.8000114.9H111 V529 V550H111-N527 VanDerWaalsContact C-ND2 3.3Å; H111-N527 WeakPolarHBondContact CA-ND2 3.39Å; H111-N527 WeakPolarHBondContact CB-OD1 3.39Å; H111-N527 PolarHBondContact N-ND2 3.04Å; H111-N527 VanDerWaalsContact O-CG 3.25Å; H111-N527 PolarHBondContact O-ND2 3.48Å; H111-N527 PolarHBondContact O-OD1 2.99Å; N527-V529 PolarHBondContact O-N 3.12Å; N527-V550 HydrophobicContact CB-CG1 4.09Å
528A69.5Low75.7Confident3 Ų361.3 Ų61.33%0.02534%0.342CS..EExtended strand (participates in β ladder)trans-77.3115.8-179.400000110.1P522 I524 V550P522-A528 HydrophobicContact CB-CB 3.59Å; P522-A528 HydrophobicContact CG-CB 3.75Å; I524-A528 VanDerWaalsContact O-CB 3.24Å; I524-A528 WeakPolarHBondContact O-CB 3.11Å; A528-V550 HydrophobicContact CB-CG1 4.39Å; A528-V550 HydrophobicContact CB-CG2 3.81Å
529V76.1Confident75.3Confident56 Ų5669.4 Ų69.434%0.33937%0.373SS..EExtended strand (participates in β ladder)trans-97.3131.1176.7177.90000109.7N527 I531 T548 H549 Y551N527-V529 PolarHBondContact O-N 3.12Å; V529-I531 HydrophobicContact CG1-CD1 4.03Å; V529-I531 PolarHBondContact O-N 2.86Å; V529-T548 WeakPolarHBondContact O-CA 3.46Å; V529-T548 PolarHBondContact O-OG1 3.04Å; V529-H549 PolarHBondContact N-O 2.89Å; V529-H549 PolarHBondContact O-N 2.79Å; V529-Y551 HydrophobicContact CB-CE2 4.44Å; V529-Y551 HydrophobicContact CG2-CD2 4.23Å; V529-Y551 HydrophobicContact CG2-CE2 3.71Å
530S83.8Confident75.1Confident36 Ų3669.9 Ų69.925%0.25238%0.382SS..EExtended strand (participates in β ladder)trans-70.7124.5171.9-174.70000110.2W467W467-S530 WeakPolarHBondContact CH2-OG 3.22Å
531I85Confident75.5Confident32 Ų3266 Ų6616%0.16437%0.374CS..EExtended strand (participates in β ladder)trans-111.9108.1175.8-51.6-61.4000108.6Y489 V529 R546 G547 H549Y489-I531 HydrophobicContact CD1-CD1 3.58Å; Y489-I531 HydrophobicContact CD1-CG1 3.85Å; Y489-I531 HydrophobicContact CD1-CG2 4.37Å; Y489-I531 HydrophobicContact CE1-CD1 3.74Å; Y489-I531 HydrophobicContact CE1-CG1 4.49Å; Y489-I531 HydrophobicContact CG-CD1 4.5Å; Y489-I531 HydrophobicContact CG-CG2 4.35Å; V529-I531 HydrophobicContact CG1-CD1 4.03Å; V529-I531 PolarHBondContact O-N 2.86Å; I531-R546 WeakPolarHBondContact O-CA 3.32Å; I531-G547 PolarHBondContact N-O 3.45Å; I531-G547 PolarHBondContact O-N 3.29Å; I531-H549 HydrophobicContact CD1-CB 4.43Å; I531-H549 HydrophobicContact CG1-CB 4.12Å
532E89Confident76.1Confident93 Ų9366.5 Ų66.544%0.43538%0.375SS..EExtended strand (participates in β ladder)trans-101.1114-179.8-65.4-152.6140.500111.3L544 R546E532-L544 HydrophobicContact CB-CD1 3.97Å; E532-L544 HydrophobicContact CG-CD1 4.44Å; E532-R546 HydrophobicContact CG-CG 4.25Å; E532-R546 IonicContact OE1-CZ 3.83Å; E532-R546 VanDerWaalsContact OE1-CZ 3.31Å; E532-R546 IonicContact OE1-NE 2.72Å; E532-R546 PolarHBondContact OE1-NE 3.36Å; E532-R546 IonicContact OE1-NH2 2.89Å; E532-R546 PolarHBondContact OE1-NH2 3.45Å
533T88Confident77Confident49 Ų4967.4 Ų67.430%0.30138%0.379SS..EExtended strand (participates in β ladder)trans-108.8128.8176.1-57.40000110.7V482 I535 C545V482-T533 HydrophobicContact CG2-CG2 3.99Å; T533-I535 HydrophobicContact CG2-CG1 4.35Å; T533-C545 PolarHBondContact N-O 2.95Å; T533-C545 PolarHBondContact O-N 3.43Å
534N89.2Confident78.1Confident73 Ų7367.6 Ų67.639%0.3938%0.378SS..EExtended strand (participates in β ladder)trans-104100.7179.4-82.1-81.6000111.5I543N534-I543 WeakPolarHBondContact CA-O 3.41Å
535I87.2Confident79.5Confident12 Ų1266.8 Ų66.86%0.06237%0.374CS..EExtended strand (participates in β ladder)trans-84.7124.5179.7-60.5179.8000110.1I477 C478 R481 T533 R542 I543 C545I477-I535 HydrophobicContact CG1-CG2 4.5Å; C478-I535 HydrophobicContact CB-CD1 4.45Å; R481-I535 HydrophobicContact CB-CD1 3.63Å; R481-I535 HydrophobicContact CB-CG1 4.41Å; R481-I535 HydrophobicContact CG-CD1 3.97Å; R481-I535 HydrophobicContact CG-CG2 4.41Å; T533-I535 HydrophobicContact CG2-CG1 4.35Å; I535-R542 CarbonylContact O-C 3.49Å; I535-R542 VanDerWaalsContact O-CA 3.26Å; I535-R542 WeakPolarHBondContact O-CA 3.42Å; I535-I543 PolarHBondContact N-O 3.27Å; I535-I543 PolarHBondContact O-N 3.4Å; I535-C545 WeakPolarHBondContact CD1-SG 3.42Å
536P86.6Confident81.3Confident96 Ų9666.7 Ų66.762%0.62336%0.363SS*.EExtended strand (participates in β ladder)trans-73.1139.1173.230.8-33.7000111.5
537L82.3Confident83.1Confident75 Ų7563.6 Ų63.639%0.39334%0.344SS..PPolyproline II helixtrans-93.1147.9174.2-70.9174.9000111.7E539 G540 G541 I543L537-E539 VanDerWaalsContact C-N 3.27Å; L537-E539 PolarHBondContact O-N 3.36Å; L537-G540 PolarHBondContact O-N 3.1Å; L537-G541 PolarHBondContact N-O 3.44Å; L537-I543 HydrophobicContact CD1-CD1 4.17Å; L537-I543 HydrophobicContact CD1-CG1 3.86Å; L537-I543 HydrophobicContact CD2-CD1 3.78Å; L537-I543 HydrophobicContact CD2-CG1 4.05Å; L537-I543 HydrophobicContact CG-CD1 4.28Å; L537-I543 HydrophobicContact CG-CG1 4.01Å
538Q78.8Confident84.3Confident200 Ų20063 Ų6394%0.93534%0.342SS*.THydrogen-bonded Turntrans-66.5-29.1178.7-68.5-173.6-14.400112.8G540Q538-G540 VanDerWaalsContact C-N 3.28Å; Q538-G540 PolarHBondContact O-N 2.74Å
539E78.3Confident84.6Confident196 Ų19663.8 Ų63.892%0.91634%0.344SS*.THydrogen-bonded Turntrans-85.62.2179.7-63.4172.1177.200113L537L537-E539 VanDerWaalsContact C-N 3.27Å; L537-E539 PolarHBondContact O-N 3.36Å
540G76.3Confident84.1Confident53 Ų5361.5 Ų61.555%0.54633%0.331SS..SBendtrans91.7147.2-170.400000112.6L537 Q538L537-G540 PolarHBondContact O-N 3.1Å; Q538-G540 VanDerWaalsContact C-N 3.28Å; Q538-G540 PolarHBondContact O-N 2.74Å
541G82.8Confident83.1Confident51 Ų5165.2 Ų65.253%0.52634%0.34SS..  trans100.1179.9-174.300000113.8L537L537-G541 PolarHBondContact N-O 3.44Å
542R85.6Confident81.6Confident177 Ų17764.7 Ų64.767%0.66834%0.337SS*.EExtended strand (participates in β ladder)trans-140.7137.9-175.4-52.2-179.985.1157.82.2110.1I535I535-R542 CarbonylContact O-C 3.49Å; I535-R542 VanDerWaalsContact O-CA 3.26Å; I535-R542 WeakPolarHBondContact O-CA 3.42Å
543I89.2Confident79.7Confident31 Ų3162 Ų6216%0.15934%0.335CS..EExtended strand (participates in β ladder)trans-97.7126.4168.9-62.5-174.4000108.6P475 I477 N534 I535 L537P475-I543 HydrophobicContact CG-CD1 4.44Å; I477-I543 HydrophobicContact CG2-CD1 4.15Å; N534-I543 WeakPolarHBondContact CA-O 3.41Å; I535-I543 PolarHBondContact N-O 3.27Å; I535-I543 PolarHBondContact O-N 3.4Å; L537-I543 HydrophobicContact CD1-CD1 4.17Å; L537-I543 HydrophobicContact CD1-CG1 3.86Å; L537-I543 HydrophobicContact CD2-CD1 3.78Å; L537-I543 HydrophobicContact CD2-CG1 4.05Å; L537-I543 HydrophobicContact CG-CD1 4.28Å; L537-I543 HydrophobicContact CG-CG1 4.01Å
544L89.4Confident77.3Confident55 Ų5564.7 Ų64.729%0.28835%0.347SS..EExtended strand (participates in β ladder)trans-81.7121.4167.4-17266.1000109.3Q516 E532Q516-L544 PolarHBondContact NE2-O 3.41Å; E532-L544 HydrophobicContact CB-CD1 3.97Å; E532-L544 HydrophobicContact CG-CD1 4.44Å
545C91.4Very high75.1Confident0 Ų064.6 Ų64.60%035%0.347CS..EExtended strand (participates in β ladder)trans-110126.6172.4-48.90000108C478 T533 I535C478-C545 VanDerWaalsContact CA-SG 3.55Å; C478-C545 HydrophobicContact CB-CB 3.64Å; C478-C545 WeakPolarHBondContact CB-SG 3.41Å; C478-C545 WeakPolarHBondContact SG-CB 3.21Å; C478-C545 CovalentContact SG-SG 2.03Å; C478-C545 PolarHBondContact SG-SG 2.65Å; T533-C545 PolarHBondContact N-O 2.95Å; T533-C545 PolarHBondContact O-N 3.43Å; I535-C545 WeakPolarHBondContact CD1-SG 3.42Å
546R90.6Very high73.2Confident33 Ų3365.2 Ų65.213%0.12535%0.35CS..EExtended strand (participates in β ladder)trans-107.1111.5174.9-61.9-171.3173160-5110.8W467 C515 G517 I531 E532W467-R546 HydrophobicContact CH2-CB 4.11Å; W467-R546 HydrophobicContact CZ2-CB 3.89Å; C515-R546 PolarHBondContact N-O 2.6Å; C515-R546 WeakPolarHBondContact O-CB 3.45Å; C515-R546 PolarHBondContact O-N 3.03Å; G517-R546 PolarHBondContact O-NH1 3.19Å; I531-R546 WeakPolarHBondContact O-CA 3.32Å; E532-R546 HydrophobicContact CG-CG 4.25Å; E532-R546 IonicContact OE1-CZ 3.83Å; E532-R546 VanDerWaalsContact OE1-CZ 3.31Å; E532-R546 IonicContact OE1-NE 2.72Å; E532-R546 PolarHBondContact OE1-NE 3.36Å; E532-R546 IonicContact OE1-NH2 2.89Å; E532-R546 PolarHBondContact OE1-NH2 3.45Å
547G88.8Confident71.7Confident2 Ų263 Ų632%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-94.4163.8160.500000110.2W467 I531W467-G547 WeakPolarHBondContact CH2-O 3.21Å; W467-G547 VanDerWaalsContact CZ2-O 3.31Å; W467-G547 WeakPolarHBondContact CZ2-O 3.27Å; I531-G547 PolarHBondContact N-O 3.45Å; I531-G547 PolarHBondContact O-N 3.29Å
548T82.6Confident70.9Confident1 Ų160.3 Ų60.31%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-115.7142.7160.8-177.50000108.2L466 K512 P522 V529L466-T548 HydrophobicContact CD1-CG2 4.06Å; L466-T548 HydrophobicContact CD2-CG2 4.13Å; K512-T548 PolarHBondContact NZ-O 2.94Å; P522-T548 WeakPolarHBondContact CG-OG1 3.48Å; V529-T548 WeakPolarHBondContact O-CA 3.46Å; V529-T548 PolarHBondContact O-OG1 3.04Å
549H74.9Confident70.4Confident18 Ų1852.5 Ų52.58%0.08329%0.288CS..EExtended strand (participates in β ladder)trans-115.6124161179.252.2000107Y489 V529 I531 Y551 D558Y489-H549 HydrophobicContact CD1-CB 4.14Å; Y489-H549 HydrophobicContact CE1-CB 4.5Å; V529-H549 PolarHBondContact N-O 2.89Å; V529-H549 PolarHBondContact O-N 2.79Å; I531-H549 HydrophobicContact CD1-CB 4.43Å; I531-H549 HydrophobicContact CG1-CB 4.12Å; H549-Y551 AromaticContact CD2-CD1 3.73Å; H549-Y551 AromaticContact CD2-CE1 3.54Å; H549-Y551 AromaticContact CD2-CZ 3.95Å; H549-Y551 AromaticContact NE2-CD1 3.46Å; H549-Y551 WeakPolarHBondContact NE2-CD1 3.24Å; H549-Y551 AromaticContact NE2-CE1 3.59Å; H549-D558 IonicContact CE1-OD2 2.71Å; H549-D558 IonicContact CG-OD2 2.66Å; H549-D558 IonicContact ND1-OD2 3.8Å; H549-D558 PolarHBondContact ND1-OD2 2.62Å
550V67.5Low70.4Confident9 Ų943.1 Ų43.16%0.05524%0.244CC..EExtended strand (participates in β ladder)trans-101.9122.5172.1-163.20000105.6N527 A528 L552 P559N527-V550 HydrophobicContact CB-CG1 4.09Å; A528-V550 HydrophobicContact CB-CG1 4.39Å; A528-V550 HydrophobicContact CB-CG2 3.81Å; V550-L552 HydrophobicContact CB-CD1 4.48Å; V550-L552 HydrophobicContact CB-CD2 4.22Å; V550-L552 HydrophobicContact CB-CG 3.91Å; V550-L552 HydrophobicContact CG1-CD1 4.46Å; V550-L552 HydrophobicContact CG1-CD2 3.49Å; V550-L552 VanDerWaalsContact CG1-CD2 3.49Å; V550-L552 HydrophobicContact CG1-CG 3.76Å; V550-L552 PolarHBondContact O-N 3.32Å; V550-P559 HydrophobicContact CG2-CG 4.24Å
551Y61.5Low71Confident113 Ų11341.4 Ų41.444%0.44322%0.223SC..  trans-70.379.2177.8-67.3-74.6000109.6F210 V529 H549F210-Y551 WeakPolarHBondContact CE2-O 3.3Å; F210-Y551 VanDerWaalsContact CZ-O 3.25Å; F210-Y551 WeakPolarHBondContact CZ-O 3.43Å; V529-Y551 HydrophobicContact CB-CE2 4.44Å; V529-Y551 HydrophobicContact CG2-CD2 4.23Å; V529-Y551 HydrophobicContact CG2-CE2 3.71Å; H549-Y551 AromaticContact CD2-CD1 3.73Å; H549-Y551 AromaticContact CD2-CE1 3.54Å; H549-Y551 AromaticContact CD2-CZ 3.95Å; H549-Y551 AromaticContact NE2-CD1 3.46Å; H549-Y551 WeakPolarHBondContact NE2-CD1 3.24Å; H549-Y551 AromaticContact NE2-CE1 3.59Å
552L54.7Low71.4Confident21 Ų2139.6 Ų39.611%0.1120%0.201CC..  trans-104.647.6179.1-55.7-171.2000111.8F210 V550 M556 P559F210-L552 VanDerWaalsContact CB-C 3.42Å; F210-L552 WeakPolarHBondContact CB-O 3.39Å; F210-L552 VanDerWaalsContact CD1-C 3.42Å; F210-L552 HydrophobicContact CD1-CB 3.53Å; F210-L552 HydrophobicContact CD1-CD2 3.91Å; F210-L552 HydrophobicContact CD1-CG 4.25Å; F210-L552 VanDerWaalsContact CD2-C 3.44Å; F210-L552 VanDerWaalsContact CE1-CA 3.41Å; F210-L552 HydrophobicContact CE1-CB 3.77Å; F210-L552 HydrophobicContact CE1-CD2 3.27Å; F210-L552 HydrophobicContact CE1-CG 4.07Å; F210-L552 HydrophobicContact CG-CB 4.19Å; F210-L552 WeakPolarHBondContact CG-O 3.35Å; F210-L552 HydrophobicContact CZ-CD2 4.01Å; V550-L552 HydrophobicContact CB-CD1 4.48Å; V550-L552 HydrophobicContact CB-CD2 4.22Å; V550-L552 HydrophobicContact CB-CG 3.91Å; V550-L552 HydrophobicContact CG1-CD1 4.46Å; V550-L552 HydrophobicContact CG1-CD2 3.49Å; V550-L552 VanDerWaalsContact CG1-CD2 3.49Å; V550-L552 HydrophobicContact CG1-CG 3.76Å; V550-L552 PolarHBondContact O-N 3.32Å; L552-M556 HydrophobicContact CB-CB 4.02Å; L552-M556 HydrophobicContact CB-CG 4.42Å; L552-M556 HydrophobicContact CB-SD 4.1Å; L552-M556 HydrophobicContact CD1-CE 4.29Å; L552-M556 HydrophobicContact CD1-CG 4.26Å; L552-M556 HydrophobicContact CD1-SD 3.71Å; L552-M556 HydrophobicContact CG-SD 4.44Å; L552-M556 VanDerWaalsContact O-CB 3.29Å; L552-M556 WeakPolarHBondContact O-CB 3.44Å; L552-P559 HydrophobicContact CD1-CG 3.76Å
553G47.5Very low71.4Confident37 Ų3734.3 Ų34.338%0.38119%0.186SC..THydrogen-bonded Turntrans59.3-168.4-173.300000112.1
554D39.2Very low71.4Confident105 Ų10534.3 Ų34.356%0.56119%0.191SC*.THydrogen-bonded Turntrans-88.2-23.1-172.8-99.6-26.7000113.6K494K494-D554 WeakPolarHBondContact CD-O 3.22Å; K494-D554 WeakPolarHBondContact CE-O 3.24Å; K494-D554 PolarHBondContact NZ-O 2.81Å; K494-D554 IonicContact NZ-OD1 3.16Å; K494-D554 PolarHBondContact NZ-OD1 3.11Å; K494-D554 IonicContact NZ-OD2 2.76Å
555D42.6Very low71.5Confident72 Ų7231.7 Ų31.739%0.38518%0.177SC..THydrogen-bonded Turntrans-121.7-5.2-166.9-56.5-56.4000115.5H214H214-D555 PolarHBondContact CD2-O 3.08Å; H214-D555 VanDerWaalsContact CD2-O 3.31Å
556M47.6Very low71.6Confident24 Ų2431.7 Ų31.712%0.11818%0.177CC..SBendtrans-73.7145.8173.2-166.8174.1178.200111.4F210 L213 M248 P250 L552 D558F210-M556 HydrophobicContact CB-CB 4.4Å; F210-M556 HydrophobicContact CD1-SD 4.04Å; L213-M556 HydrophobicContact CD2-CE 3.36Å; L213-M556 HydrophobicContact CD2-SD 3.89Å; L213-M556 HydrophobicContact CG-CE 4.27Å; M248-M556 HydrophobicContact SD-SD 3.97Å; P250-M556 HydrophobicContact CG-CE 4.13Å; L552-M556 HydrophobicContact CB-CB 4.02Å; L552-M556 HydrophobicContact CB-CG 4.42Å; L552-M556 HydrophobicContact CB-SD 4.1Å; L552-M556 HydrophobicContact CD1-CE 4.29Å; L552-M556 HydrophobicContact CD1-CG 4.26Å; L552-M556 HydrophobicContact CD1-SD 3.71Å; L552-M556 HydrophobicContact CG-SD 4.44Å; L552-M556 VanDerWaalsContact O-CB 3.29Å; L552-M556 WeakPolarHBondContact O-CB 3.44Å; M556-D558 PolarHBondContact O-N 2.87Å
557P54Low71.8Confident51 Ų5131.3 Ų31.333%0.33118%0.176SC..  trans-60.898.8170.1-23.835.1000111.5
558D64.9Low72.1Confident17 Ų1731.7 Ų31.79%0.09118%0.178CC..  trans-50.2124.4173.4-177.9-33.2000109.3K512 H549 M556 G560 L561K512-D558 IonicContact NZ-OD1 3.23Å; K512-D558 PolarHBondContact NZ-OD1 3.44Å; K512-D558 VanDerWaalsContact NZ-OD1 3.15Å; K512-D558 IonicContact NZ-OD2 3.06Å; K512-D558 PolarHBondContact NZ-OD2 2.91Å; H549-D558 IonicContact CE1-OD2 2.71Å; H549-D558 IonicContact CG-OD2 2.66Å; H549-D558 IonicContact ND1-OD2 3.8Å; H549-D558 PolarHBondContact ND1-OD2 2.62Å; M556-D558 PolarHBondContact O-N 2.87Å; D558-G560 PolarHBondContact O-N 3.43Å; D558-G560 VanDerWaalsContact O-N 3.1Å; D558-G560 VanDerWaalsContact OD1-CA 3.32Å; D558-G560 WeakPolarHBondContact OD1-CA 3.43Å; D558-G560 PolarHBondContact OD1-N 3.48Å; D558-L561 HydrophobicContact CB-CD1 4.2Å; D558-L561 HydrophobicContact CB-CG 4.17Å; D558-L561 VanDerWaalsContact O-CB 3.23Å; D558-L561 WeakPolarHBondContact O-CB 3.21Å; D558-L561 PolarHBondContact O-N 3.49Å
559P68.6Low72.7Confident36 Ų3632.7 Ų32.723%0.23419%0.189CC..THydrogen-bonded Turntrans-66.7-13.7-177.1-23.136000113.1Q462 L466 I524 V550 L552 L561Q462-P559 PolarHBondContact NE2-O 3.29Å; L466-P559 HydrophobicContact CD2-CB 4.44Å; I524-P559 HydrophobicContact CD1-CB 3.36Å; I524-P559 HydrophobicContact CD1-CG 3.76Å; V550-P559 HydrophobicContact CG2-CG 4.24Å; L552-P559 HydrophobicContact CD1-CG 3.76Å; P559-L561 VanDerWaalsContact C-N 3.28Å
560G79.6Confident73.5Confident0 Ų037.8 Ų37.80%022%0.217CC..THydrogen-bonded Turntrans-8414.5164.800000114.1K512 I513 D558K512-G560 CarbonylContact C-O 3.39Å; K512-G560 WeakPolarHBondContact CA-O 3.29Å; K512-G560 PolarHBondContact NZ-O 2.93Å; I513-G560 PolarHBondContact N-O 2.94Å; D558-G560 PolarHBondContact O-N 3.43Å; D558-G560 VanDerWaalsContact O-N 3.1Å; D558-G560 VanDerWaalsContact OD1-CA 3.32Å; D558-G560 WeakPolarHBondContact OD1-CA 3.43Å; D558-G560 PolarHBondContact OD1-N 3.48Å
561L87.3Confident74.7Confident17 Ų1741.7 Ų41.79%0.08924%0.237CC..BIsolated β-bridgetrans-93145.6158.6-71.2166.8000109.3Q462 K512 D558 P559 L563Q462-L561 PolarHBondContact NE2-O 3.39Å; K512-L561 HydrophobicContact CD-CD2 3.74Å; K512-L561 HydrophobicContact CD-CG 4.13Å; K512-L561 HydrophobicContact CG-CD2 4.03Å; D558-L561 HydrophobicContact CB-CD1 4.2Å; D558-L561 HydrophobicContact CB-CG 4.17Å; D558-L561 VanDerWaalsContact O-CB 3.23Å; D558-L561 WeakPolarHBondContact O-CB 3.21Å; D558-L561 PolarHBondContact O-N 3.49Å; P559-L561 VanDerWaalsContact C-N 3.28Å; L561-L563 PolarHBondContact O-N 3.38Å
562V91Very high76.3Confident13 Ų1338.7 Ų38.78%0.07923%0.228CC..PPolyproline II helixtrans-64.9130.2177.9173.10000110.8F479 K509 G511 I513 T566 C574F479-V562 HydrophobicContact CE1-CG2 4.12Å; K509-V562 WeakPolarHBondContact O-CG2 3.44Å; G511-V562 WeakPolarHBondContact O-CG2 3.03Å; G511-V562 PolarHBondContact O-N 2.77Å; I513-V562 HydrophobicContact CB-CG2 3.75Å; I513-V562 HydrophobicContact CG1-CG2 4.03Å; V562-T566 HydrophobicContact CG1-CG2 3.8Å; V562-C574 HydrophobicContact CG1-CB 4.36Å
563L87.3Confident78.3Confident65 Ų6537.8 Ų37.834%0.3422%0.223SC..PPolyproline II helixtrans-64146.1-178.3-65.1177000112.2Q462 L561 T566Q462-L563 VanDerWaalsContact OE1-N 3.09Å; L561-L563 PolarHBondContact O-N 3.38Å; L563-T566 VanDerWaalsContact O-CB 3.27Å; L563-T566 WeakPolarHBondContact O-CB 3.37Å; L563-T566 PolarHBondContact O-N 3.3Å; L563-T566 PolarHBondContact O-OG1 2.85Å
564A88.4Confident80.5Confident32 Ų3236.1 Ų36.126%0.26421%0.206SC..THydrogen-bonded Turntrans-58.8144.8172.700000111.4Y452 T566 C574Y452-A564 HydrophobicContact CD1-CB 4.46Å; Y452-A564 VanDerWaalsContact CD1-O 3.29Å; Y452-A564 WeakPolarHBondContact CD1-O 3.31Å; Y452-A564 HydrophobicContact CE1-CB 3.7Å; A564-T566 VanDerWaalsContact C-N 3.28Å; A564-T566 PolarHBondContact O-N 3.46Å; A564-C574 CarbonylContact C-O 3.53Å; A564-C574 VanDerWaalsContact CA-O 3.3Å; A564-C574 WeakPolarHBondContact CA-O 3.24Å
565G90.8Very high83Confident0 Ų032 Ų320%018%0.184CC..THydrogen-bonded Turntrans84.6-14.5-173.900000115.2K567 V573 C574G565-K567 PolarHBondContact O-N 2.03Å; G565-V573 WeakPolarHBondContact O-CG1 3.28Å; G565-C574 PolarHBondContact N-O 2.97Å
566T93.9Very high85Confident0 Ų034.7 Ų34.70%020%0.198CC..  trans-62.1132.9179.1-54.80000111.5V562 L563 A564 C568 V573 C574V562-T566 HydrophobicContact CG1-CG2 3.8Å; L563-T566 VanDerWaalsContact O-CB 3.27Å; L563-T566 WeakPolarHBondContact O-CB 3.37Å; L563-T566 PolarHBondContact O-N 3.3Å; L563-T566 PolarHBondContact O-OG1 2.85Å; A564-T566 VanDerWaalsContact C-N 3.28Å; A564-T566 PolarHBondContact O-N 3.46Å; T566-C568 PolarHBondContact O-N 2.77Å; T566-V573 CarbonylContact O-C 3.39Å; T566-V573 WeakPolarHBondContact O-CA 3.36Å; T566-C574 PolarHBondContact O-N 2.89Å
567K95.2Very high87Confident25 Ų2538.6 Ų38.611%0.10921%0.212CC..EExtended strand (participates in β ladder)trans-60.2123.6174.7179-179.5-177.5-168.40110.9D448 Y450 H459 G565 G569 D570D448-K567 WeakPolarHBondContact OD1-CD 3.3Å; D448-K567 IonicContact OD1-NZ 3.07Å; D448-K567 PolarHBondContact OD1-NZ 3.03Å; D448-K567 IonicContact OD2-NZ 3.21Å; D448-K567 PolarHBondContact OD2-NZ 3.39Å; Y450-K567 HydrophobicContact CD2-CB 4.01Å; Y450-K567 HydrophobicContact CD2-CD 4.46Å; Y450-K567 HydrophobicContact CD2-CG 4.05Å; Y450-K567 HydrophobicContact CE2-CB 4.34Å; Y450-K567 HydrophobicContact CE2-CD 4Å; Y450-K567 HydrophobicContact CE2-CG 3.85Å; H459-K567 PolarHBondContact CE1-O 3.22Å; H459-K567 PolarHBondContact ND1-O 3.27Å; G565-K567 PolarHBondContact O-N 2.03Å; K567-G569 WeakPolarHBondContact CE-O 3.3Å; K567-G569 WeakPolarHBondContact CG-O 3.19Å; K567-D570 WeakPolarHBondContact CE-OD1 3.49Å; K567-D570 IonicContact NZ-OD1 3.64Å; K567-D570 PolarHBondContact NZ-OD1 3.03Å
568C95.6Very high88.9Confident9 Ų940.7 Ų40.76%0.06122%0.217CC..EExtended strand (participates in β ladder)trans-110.2-22.7175.556.90000113.4K509 C510 T566 M572 C579K509-C568 HydrophobicContact CB-CB 4.03Å; K509-C568 VanDerWaalsContact CD-O 3.24Å; K509-C568 WeakPolarHBondContact CD-O 3.28Å; C510-C568 WeakPolarHBondContact SG-CB 3.43Å; T566-C568 PolarHBondContact O-N 2.77Å; C568-M572 PolarHBondContact N-O 2.7Å; C568-M572 PolarHBondContact SG-O 3.41Å; C568-C579 HydrophobicContact CB-CB 3.87Å; C568-C579 WeakPolarHBondContact CB-SG 3.33Å; C568-C579 WeakPolarHBondContact SG-CA 3.45Å; C568-C579 WeakPolarHBondContact SG-CB 3.35Å; C568-C579 CovalentContact SG-SG 2.03Å; C568-C579 PolarHBondContact SG-SG 2.93Å
569G93.6Very high90.4Very high23 Ų2340.5 Ų40.524%0.23722%0.217CC..EExtended strand (participates in β ladder)trans-162.7-177.9175.700000110.6K567 N571 M572K567-G569 WeakPolarHBondContact CE-O 3.3Å; K567-G569 WeakPolarHBondContact CG-O 3.19Å; G569-N571 PolarHBondContact O-N 3.26Å; G569-M572 PolarHBondContact N-O 3.03Å; G569-M572 PolarHBondContact O-N 3.12Å; G569-M572 VanDerWaalsContact O-N 3.08Å; G569-M572 VanDerWaalsContact O-O 3.1Å
570D93.2Very high91.7Very high125 Ų12541.3 Ų41.367%0.66822%0.217SC*.THydrogen-bonded Turntrans-71.6125.7-180-59.9-40.1000110.6K567 M572K567-D570 WeakPolarHBondContact CE-OD1 3.49Å; K567-D570 IonicContact NZ-OD1 3.64Å; K567-D570 PolarHBondContact NZ-OD1 3.03Å; D570-M572 WeakPolarHBondContact O-CG 3.29Å; D570-M572 PolarHBondContact O-N 3.35Å
571N92.6Very high92.5Very high90 Ų9044.5 Ų44.548%0.48123%0.234SC..THydrogen-bonded Turntrans57.226.4-168.3-56.5-44.8000114Y450 G569 N581 V582Y450-N571 WeakPolarHBondContact OH-CA 3.27Å; Y450-N571 PolarHBondContact OH-N 3.38Å; Y450-N571 PolarHBondContact OH-OD1 3.48Å; G569-N571 PolarHBondContact O-N 3.26Å; N571-N581 CarbonylContact O-C 3.53Å; N571-N581 VanDerWaalsContact O-CA 3.3Å; N571-N581 WeakPolarHBondContact O-CA 3.04Å; N571-N581 PolarHBondContact O-ND2 3.34Å; N571-V582 HydrophobicContact CB-CG2 4.17Å; N571-V582 PolarHBondContact O-N 3.11Å
572M95.2Very high92.8Very high51 Ų5144 Ų4425%0.25123%0.232SC..EExtended strand (participates in β ladder)trans-133.3134.5-175.5-56.3-89.8-76.700112.5C568 G569 D570 C579 Q580 N581C568-M572 PolarHBondContact N-O 2.7Å; C568-M572 PolarHBondContact SG-O 3.41Å; G569-M572 PolarHBondContact N-O 3.03Å; G569-M572 PolarHBondContact O-N 3.12Å; G569-M572 VanDerWaalsContact O-N 3.08Å; G569-M572 VanDerWaalsContact O-O 3.1Å; D570-M572 WeakPolarHBondContact O-CG 3.29Å; D570-M572 PolarHBondContact O-N 3.35Å; M572-C579 HydrophobicContact CE-CB 4.41Å; M572-C579 WeakPolarHBondContact CE-O 3.35Å; M572-Q580 CarbonylContact C-O 3.5Å; M572-Q580 WeakPolarHBondContact CA-O 3.05Å; M572-N581 VanDerWaalsContact SD-CA 3.54Å; M572-N581 HydrophobicContact SD-CB 3.8Å; M572-N581 PolarHBondContact SD-N 2.94Å; M572-N581 VanDerWaalsContact SD-N 3.45Å
573V95.8Very high92.9Very high1 Ų146 Ų461%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-125.9154.1-179.1-71.50000112Y450 G565 T566 L575 Q580 V582 F585Y450-V573 HydrophobicContact CD2-CG1 3.6Å; Y450-V573 HydrophobicContact CG-CG1 3.88Å; G565-V573 WeakPolarHBondContact O-CG1 3.28Å; T566-V573 CarbonylContact O-C 3.39Å; T566-V573 WeakPolarHBondContact O-CA 3.36Å; V573-L575 HydrophobicContact CG2-CD1 4.11Å; V573-L575 HydrophobicContact CG2-CG 4.16Å; V573-L575 PolarHBondContact O-N 2.55Å; V573-Q580 PolarHBondContact N-O 3.02Å; V573-Q580 PolarHBondContact O-N 3.27Å; V573-V582 HydrophobicContact CG1-CG1 3.75Å; V573-V582 HydrophobicContact CG2-CG1 4.14Å; V573-F585 HydrophobicContact CG2-CE2 3.81Å; V573-F585 HydrophobicContact CG2-CZ 4.16Å
574C94.9Very high93.2Very high3 Ų346.9 Ų46.92%0.0226%0.255CS..EExtended strand (participates in β ladder)trans-75.1118.8172.5-64.30000111.5C510 V562 A564 G565 T566 Q578C510-C574 WeakPolarHBondContact CA-SG 3.39Å; C510-C574 HydrophobicContact CB-CB 3.66Å; C510-C574 WeakPolarHBondContact CB-SG 3.37Å; C510-C574 WeakPolarHBondContact SG-CA 3.39Å; C510-C574 WeakPolarHBondContact SG-CB 3.45Å; C510-C574 CovalentContact SG-SG 2.04Å; C510-C574 PolarHBondContact SG-SG 2.72Å; V562-C574 HydrophobicContact CG1-CB 4.36Å; A564-C574 CarbonylContact C-O 3.53Å; A564-C574 VanDerWaalsContact CA-O 3.3Å; A564-C574 WeakPolarHBondContact CA-O 3.24Å; G565-C574 PolarHBondContact N-O 2.97Å; T566-C574 PolarHBondContact O-N 2.89Å; C574-Q578 WeakPolarHBondContact CA-O 3.28Å
575L90.6Very high93.4Very high19 Ų1947.2 Ų47.210%0.09925%0.25CS..EExtended strand (participates in β ladder)trans-140.4132.7173.2-70.8173.9000109.1Y452 V573 R577 Q578 Q580 V584 F585Y452-L575 HydrophobicContact CE2-CD2 4.06Å; V573-L575 HydrophobicContact CG2-CD1 4.11Å; V573-L575 HydrophobicContact CG2-CG 4.16Å; V573-L575 PolarHBondContact O-N 2.55Å; L575-R577 PolarHBondContact O-N 3.48Å; L575-R577 VanDerWaalsContact O-N 3.14Å; L575-Q578 PolarHBondContact N-O 2.84Å; L575-Q578 PolarHBondContact O-N 3.03Å; L575-Q578 VanDerWaalsContact O-O 3.1Å; L575-Q580 PolarHBondContact O-NE2 2.94Å; L575-V584 HydrophobicContact CD1-CG1 3.51Å; L575-F585 HydrophobicContact CD1-CE1 3.84Å; L575-F585 HydrophobicContact CD1-CE2 4.44Å; L575-F585 HydrophobicContact CD1-CZ 3.68Å; L575-F585 HydrophobicContact CD2-CE1 4.21Å; L575-F585 HydrophobicContact CD2-CZ 4Å; L575-F585 HydrophobicContact CG-CZ 4.24Å
576N86.1Confident93.5Very high128 Ų12848.4 Ų48.468%0.68426%0.262SS*.THydrogen-bonded Turntrans49.437.6-176.2-60-33.3000113.2Q578N576-Q578 PolarHBondContact O-N 3.4Å
577R88.3Confident93.4Very high105 Ų10548.6 Ų48.640%0.39626%0.264SS..THydrogen-bonded Turntrans6517.5-179.3-54176.2-93.8-130.21.1114.6C492 L575C492-R577 WeakPolarHBondContact O-CD 3.25Å; L575-R577 PolarHBondContact O-N 3.48Å; L575-R577 VanDerWaalsContact O-N 3.14Å
578Q93.6Very high93.2Very high96 Ų9653.1 Ų53.145%0.44929%0.288SS..EExtended strand (participates in β ladder)trans-118.4149.9174-66.4178.8-21.700110.7D507 C574 L575 N576 Q580D507-Q578 WeakPolarHBondContact OD1-CA 3.36Å; C574-Q578 WeakPolarHBondContact CA-O 3.28Å; L575-Q578 PolarHBondContact N-O 2.84Å; L575-Q578 PolarHBondContact O-N 3.03Å; L575-Q578 VanDerWaalsContact O-O 3.1Å; N576-Q578 PolarHBondContact O-N 3.4Å; Q578-Q580 HydrophobicContact CB-CG 4.01Å; Q578-Q580 PolarHBondContact O-N 2.86Å
579C96.3Very high93Very high13 Ų1360.5 Ų60.59%0.08832%0.322CS..EExtended strand (participates in β ladder)trans-86.2103.3173.9-1720000108.9R506 D507 C568 M572R506-C579 VanDerWaalsContact O-CB 3.28Å; R506-C579 WeakPolarHBondContact O-CB 3.44Å; D507-C579 PolarHBondContact OD1-N 3.29Å; C568-C579 HydrophobicContact CB-CB 3.87Å; C568-C579 WeakPolarHBondContact CB-SG 3.33Å; C568-C579 WeakPolarHBondContact SG-CA 3.45Å; C568-C579 WeakPolarHBondContact SG-CB 3.35Å; C568-C579 CovalentContact SG-SG 2.03Å; C568-C579 PolarHBondContact SG-SG 2.93Å; M572-C579 HydrophobicContact CE-CB 4.41Å; M572-C579 WeakPolarHBondContact CE-O 3.35Å
580Q96.3Very high92.9Very high52 Ų5260 Ų6024%0.24331%0.314CS..EExtended strand (participates in β ladder)trans-118.1152.7-171.5-61.5-171.157.500111.5M572 V573 L575 Q578M572-Q580 CarbonylContact C-O 3.5Å; M572-Q580 WeakPolarHBondContact CA-O 3.05Å; V573-Q580 PolarHBondContact N-O 3.02Å; V573-Q580 PolarHBondContact O-N 3.27Å; L575-Q580 PolarHBondContact O-NE2 2.94Å; Q578-Q580 HydrophobicContact CB-CG 4.01Å; Q578-Q580 PolarHBondContact O-N 2.86Å
581N95.8Very high92.9Very high67 Ų6755.2 Ų55.236%0.35829%0.291SS..EExtended strand (participates in β ladder)trans-72.3138.2-177.8-168.7-79.3000111.6N571 M572 S583 V584N571-N581 CarbonylContact O-C 3.53Å; N571-N581 VanDerWaalsContact O-CA 3.3Å; N571-N581 WeakPolarHBondContact O-CA 3.04Å; N571-N581 PolarHBondContact O-ND2 3.34Å; M572-N581 VanDerWaalsContact SD-CA 3.54Å; M572-N581 HydrophobicContact SD-CB 3.8Å; M572-N581 PolarHBondContact SD-N 2.94Å; M572-N581 VanDerWaalsContact SD-N 3.45Å; N581-S583 PolarHBondContact O-N 2.8Å; N581-S583 WeakPolarHBondContact OD1-CB 3.32Å; N581-S583 PolarHBondContact OD1-N 3.5Å; N581-S583 PolarHBondContact OD1-OG 2.83Å; N581-V584 WeakPolarHBondContact O-CB 3.48Å; N581-V584 VanDerWaalsContact O-CG1 3.26Å; N581-V584 WeakPolarHBondContact O-CG1 3.38Å; N581-V584 PolarHBondContact O-N 2.88Å
582V94.8Very high92.9Very high6 Ų653.8 Ų53.84%0.03630%0.297CS..G310 helixtrans-56.6-20.2179.2-64.90000114Y450 N571 V573 V584 F585 V587Y450-V582 HydrophobicContact CD1-CG1 3.91Å; Y450-V582 HydrophobicContact CD2-CG1 4.01Å; Y450-V582 HydrophobicContact CE1-CG1 4.18Å; Y450-V582 HydrophobicContact CE2-CG1 4.27Å; Y450-V582 HydrophobicContact CG-CG1 3.84Å; N571-V582 HydrophobicContact CB-CG2 4.17Å; N571-V582 PolarHBondContact O-N 3.11Å; V573-V582 HydrophobicContact CG1-CG1 3.75Å; V573-V582 HydrophobicContact CG2-CG1 4.14Å; V582-V584 PolarHBondContact O-N 3.42Å; V582-V584 VanDerWaalsContact O-N 3.09Å; V582-F585 WeakPolarHBondContact O-CD2 3.47Å; V582-F585 PolarHBondContact O-N 3.21Å; V582-F585 VanDerWaalsContact O-N 3.15Å; V582-V587 HydrophobicContact CG2-CG1 4.42Å
583S92.3Very high92.8Very high56 Ų5655.5 Ų55.539%0.39230%0.303SS..G310 helixtrans-57.3-21173.3-56.40000113.6N581 F585 G586N581-S583 PolarHBondContact O-N 2.8Å; N581-S583 WeakPolarHBondContact OD1-CB 3.32Å; N581-S583 PolarHBondContact OD1-N 3.5Å; N581-S583 PolarHBondContact OD1-OG 2.83Å; S583-F585 PolarHBondContact O-N 3.29Å; S583-G586 PolarHBondContact O-N 3.17Å
584V93.8Very high92.8Very high84 Ų8455.4 Ų55.451%0.50930%0.303SS..G310 helixtrans-57.7-26.3175.271.20000113.3L575 N581 V582 G586L575-V584 HydrophobicContact CD1-CG1 3.51Å; N581-V584 WeakPolarHBondContact O-CB 3.48Å; N581-V584 VanDerWaalsContact O-CG1 3.26Å; N581-V584 WeakPolarHBondContact O-CG1 3.38Å; N581-V584 PolarHBondContact O-N 2.88Å; V582-V584 PolarHBondContact O-N 3.42Å; V582-V584 VanDerWaalsContact O-N 3.09Å; V584-G586 VanDerWaalsContact C-N 3.35Å
585F92.4Very high92.8Very high39 Ų3957.5 Ų57.517%0.17132%0.317CS..G310 helixtrans-82.5-9175.7-56-59.6000113.9H439 D440 Y452 V573 L575 V582 S583 V587H439-F585 PolarHBondContact NE2-O 2.85Å; D440-F585 VanDerWaalsContact C-CD2 3.48Å; D440-F585 HydrophobicContact CB-CB 4.15Å; D440-F585 HydrophobicContact CB-CD1 3.76Å; D440-F585 HydrophobicContact CB-CD2 3.88Å; D440-F585 HydrophobicContact CB-CE1 4.01Å; D440-F585 HydrophobicContact CB-CE2 4.09Å; D440-F585 HydrophobicContact CB-CG 3.68Å; D440-F585 HydrophobicContact CB-CZ 4.15Å; D440-F585 VanDerWaalsContact O-CB 3.23Å; D440-F585 WeakPolarHBondContact O-CB 3.46Å; D440-F585 WeakPolarHBondContact O-CD2 3.24Å; Y452-F585 AromaticContact CD2-CE1 3.99Å; Y452-F585 HydrophobicContact CD2-CE1 3.99Å; Y452-F585 AromaticContact CD2-CZ 3.67Å; Y452-F585 HydrophobicContact CD2-CZ 3.67Å; Y452-F585 AromaticContact CE2-CE1 3.8Å; Y452-F585 HydrophobicContact CE2-CE1 3.8Å; Y452-F585 AromaticContact CE2-CZ 3.86Å; Y452-F585 HydrophobicContact CE2-CZ 3.86Å; V573-F585 HydrophobicContact CG2-CE2 3.81Å; V573-F585 HydrophobicContact CG2-CZ 4.16Å; L575-F585 HydrophobicContact CD1-CE1 3.84Å; L575-F585 HydrophobicContact CD1-CE2 4.44Å; L575-F585 HydrophobicContact CD1-CZ 3.68Å; L575-F585 HydrophobicContact CD2-CE1 4.21Å; L575-F585 HydrophobicContact CD2-CZ 4Å; L575-F585 HydrophobicContact CG-CZ 4.24Å; V582-F585 WeakPolarHBondContact O-CD2 3.47Å; V582-F585 PolarHBondContact O-N 3.21Å; V582-F585 VanDerWaalsContact O-N 3.15Å; S583-F585 PolarHBondContact O-N 3.29Å; F585-V587 VanDerWaalsContact C-N 3.3Å
586G93.3Very high92.9Very high24 Ų2460 Ų6025%0.24735%0.347CS..THydrogen-bonded Turntrans72.318.7-172.100000114.3S583 V584 L588 E589 C590S583-G586 PolarHBondContact O-N 3.17Å; V584-G586 VanDerWaalsContact C-N 3.35Å; G586-L588 VanDerWaalsContact C-N 3.31Å; G586-L588 PolarHBondContact O-N 2.88Å; G586-E589 PolarHBondContact O-N 3.46Å; G586-C590 PolarHBondContact O-N 3.36Å
587V92.4Very high93.3Very high5 Ų558.9 Ų58.93%0.0333%0.334CS..Hα-helixtrans-60.3-37-174.767.30000113.7D440 V582 F585 S591D440-V587 WeakPolarHBondContact O-CB 3.35Å; V582-V587 HydrophobicContact CG2-CG1 4.42Å; F585-V587 VanDerWaalsContact C-N 3.3Å; V587-S591 VanDerWaalsContact O-CB 3.26Å; V587-S591 WeakPolarHBondContact O-CB 3.22Å; V587-S591 PolarHBondContact O-N 3.32Å; V587-S591 PolarHBondContact O-OG 2.82Å
588L90.5Very high93.6Very high119 Ų11954.6 Ų54.662%0.62332%0.323SS*.Hα-helixtrans-69.2-42.6179.1-63.4176.6000111.5G586 S591 G592G586-L588 VanDerWaalsContact C-N 3.31Å; G586-L588 PolarHBondContact O-N 2.88Å; L588-S591 PolarHBondContact O-N 2.63Å; L588-G592 PolarHBondContact O-N 3.43Å
589E92.2Very high93.6Very high164 Ų16452.3 Ų52.377%0.76632%0.315SS*.Hα-helixtrans-63.7-46.4175.2-175.3-176.5176.200110.8G586 S591 G592 K593G586-E589 PolarHBondContact O-N 3.46Å; E589-S591 PolarHBondContact O-N 3.12Å; E589-G592 PolarHBondContact O-N 2.82Å; E589-K593 PolarHBondContact O-N 3.2Å
590C91.8Very high93.6Very high12 Ų1251.7 Ų51.78%0.08131%0.311CS..Hα-helixtrans-68.6-34179.4-167.90000113.3G586 K593 C594 C600G586-C590 PolarHBondContact O-N 3.36Å; C590-K593 WeakPolarHBondContact O-CG 3.23Å; C590-C594 PolarHBondContact O-SG 3.37Å; C590-C594 VanDerWaalsContact O-SG 3.34Å; C590-C600 HydrophobicContact CB-CB 3.69Å; C590-C600 WeakPolarHBondContact CB-SG 3.49Å; C590-C600 WeakPolarHBondContact SG-CB 3.18Å; C590-C600 CovalentContact SG-SG 2.03Å; C590-C600 PolarHBondContact SG-SG 3.28Å
591S91.7Very high93.5Very high26 Ų2649.2 Ų49.218%0.18230%0.299CS..Hα-helixtrans-76-32.9175.9-55.10000111.9H442 V587 L588 E589 K593 C594H442-S591 PolarHBondContact CE1-OG 3.39Å; H442-S591 PolarHBondContact NE2-OG 2.88Å; H442-S591 VanDerWaalsContact NE2-OG 3.13Å; V587-S591 VanDerWaalsContact O-CB 3.26Å; V587-S591 WeakPolarHBondContact O-CB 3.22Å; V587-S591 PolarHBondContact O-N 3.32Å; V587-S591 PolarHBondContact O-OG 2.82Å; L588-S591 PolarHBondContact O-N 2.63Å; E589-S591 PolarHBondContact O-N 3.12Å; S591-K593 VanDerWaalsContact C-N 3.27Å; S591-K593 PolarHBondContact O-N 2.83Å; S591-C594 WeakPolarHBondContact O-CB 3.33Å; S591-C594 PolarHBondContact O-N 3.46Å
592G92.2Very high93.4Very high59 Ų5948.1 Ų48.161%0.60829%0.294SS*.Hα-helixtrans-60.8-32.6179.300000113.8L588 E589 C594L588-G592 PolarHBondContact O-N 3.43Å; E589-G592 PolarHBondContact O-N 2.82Å; G592-C594 VanDerWaalsContact C-N 3.28Å; G592-C594 PolarHBondContact O-N 3.25Å
593K94.5Very high93.3Very high87 Ų8752.4 Ų52.438%0.37831%0.312SS..THydrogen-bonded Turntrans-78.4-2.5174.965160.8-177.6-178.20115.2E589 C590 S591 S595 K604 L616E589-K593 PolarHBondContact O-N 3.2Å; C590-K593 WeakPolarHBondContact O-CG 3.23Å; S591-K593 VanDerWaalsContact C-N 3.27Å; S591-K593 PolarHBondContact O-N 2.83Å; K593-S595 VanDerWaalsContact C-N 3.26Å; K593-K604 WeakPolarHBondContact CE-O 3.37Å; K593-K604 PolarHBondContact NZ-O 3Å; K593-L616 HydrophobicContact CB-CD2 4.2Å; K593-L616 HydrophobicContact CD-CD2 4.32Å; K593-L616 WeakPolarHBondContact O-CD2 3.15Å
594C95.7Very high93.4Very high0 Ų055.5 Ų55.50%032%0.318CS..THydrogen-bonded Turntrans-93.522.4176.5-52.40000112.5C590 S591 G592 G596 R597 C606 L616C590-C594 PolarHBondContact O-SG 3.37Å; C590-C594 VanDerWaalsContact O-SG 3.34Å; S591-C594 WeakPolarHBondContact O-CB 3.33Å; S591-C594 PolarHBondContact O-N 3.46Å; G592-C594 VanDerWaalsContact C-N 3.28Å; G592-C594 PolarHBondContact O-N 3.25Å; C594-G596 PolarHBondContact O-N 3.42Å; C594-R597 PolarHBondContact O-N 2.62Å; C594-C606 WeakPolarHBondContact CA-SG 3.49Å; C594-C606 HydrophobicContact CB-CB 3.76Å; C594-C606 WeakPolarHBondContact CB-SG 3.02Å; C594-C606 VanDerWaalsContact SG-CA 3.57Å; C594-C606 WeakPolarHBondContact SG-CB 3.29Å; C594-C606 CovalentContact SG-SG 2.04Å; C594-C606 PolarHBondContact SG-SG 3.44Å; C594-L616 CarbonylContact C-O 3.49Å; C594-L616 VanDerWaalsContact CA-O 3.29Å; C594-L616 WeakPolarHBondContact CA-O 3.29Å
595S94.6Very high93.5Very high46 Ų4653.5 Ų53.532%0.32230%0.304SS..THydrogen-bonded Turntrans5314.1176.7-51.80000116.8K593 R597 L616 E618K593-S595 VanDerWaalsContact C-N 3.26Å; S595-R597 VanDerWaalsContact C-N 3.27Å; S595-L616 PolarHBondContact N-O 3.31Å; S595-L616 PolarHBondContact OG-O 3.27Å; S595-E618 WeakPolarHBondContact OG-CG 3.38Å
596G93.4Very high93.6Very high71 Ų7151.7 Ų51.773%0.73230%0.297SS*.THydrogen-bonded Turntrans6921.5-170.100000114.2C594C594-G596 PolarHBondContact O-N 3.42Å
597R94.6Very high93.7Very high105 Ų10551.1 Ų51.140%0.39629%0.287SS..SBendtrans-131.225.3-175.5-50.6-173.1-176.9-85.38.4112.6C594 S595 E609 W612 C617C594-R597 PolarHBondContact O-N 2.62Å; S595-R597 VanDerWaalsContact C-N 3.27Å; R597-E609 WeakPolarHBondContact O-CB 3.43Å; R597-E609 WeakPolarHBondContact O-CG 3.49Å; R597-E609 PolarHBondContact O-N 3.45Å; R597-W612 HydrophobicContact CB-CD2 4.4Å; R597-W612 HydrophobicContact CB-CG 4.06Å; R597-W612 VanDerWaalsContact CZ-CZ2 3.44Å; R597-C617 HydrophobicContact CB-CB 4.08Å
598G93.4Very high93.9Very high16 Ų1650.9 Ų50.917%0.16529%0.286CS..EExtended strand (participates in β ladder)trans179.1170.5-174.400000111H607G598-H607 CarbonylContact C-O 3.21Å; G598-H607 WeakPolarHBondContact CA-O 3.33Å
599V94.9Very high94.1Very high47 Ų4750.2 Ų50.229%0.28528%0.28SS..EExtended strand (participates in β ladder)trans-119150.1-179.3-65.90000110.5L421 L438 C606 H607L421-V599 HydrophobicContact CD2-CG2 3.91Å; L438-V599 HydrophobicContact CD2-CB 3.86Å; L438-V599 HydrophobicContact CD2-CG1 4.43Å; L438-V599 HydrophobicContact CD2-CG2 3.56Å; V599-C606 CarbonylContact O-C 3.56Å; V599-C606 WeakPolarHBondContact O-CA 3.37Å; V599-H607 HydrophobicContact CG2-CB 4.12Å; V599-H607 PolarHBondContact N-O 2.88Å; V599-H607 PolarHBondContact O-N 3.02Å
600C95.4Very high93.9Very high0 Ų044 Ų440%026%0.257CS..EExtended strand (participates in β ladder)trans-78.6130.8173.9174.20000111.1H439 H442 C590H439-C600 HydrophobicContact CB-CB 4.08Å; H439-C600 WeakPolarHBondContact CB-O 3.27Å; H439-C600 VanDerWaalsContact CB-SG 3.51Å; H439-C600 PolarHBondContact N-O 2.74Å; H442-C600 WeakPolarHBondContact NE2-CA 3.15Å; H442-C600 WeakPolarHBondContact NE2-CB 3.37Å; H442-C600 PolarHBondContact NE2-N 3.25Å; H442-C600 PolarHBondContact NE2-O 2.89Å; C590-C600 HydrophobicContact CB-CB 3.69Å; C590-C600 WeakPolarHBondContact CB-SG 3.49Å; C590-C600 WeakPolarHBondContact SG-CB 3.18Å; C590-C600 CovalentContact SG-SG 2.03Å; C590-C600 PolarHBondContact SG-SG 3.28Å
601N94.7Very high93.8Very high0 Ų049.7 Ų49.70%028%0.282CS..BIsolated β-bridgetrans-88.2169.1172.477.711.2000112.1L421 V436 Y437 K603 K604 N605 D627L421-N601 HydrophobicContact CD1-CB 3.72Å; V436-N601 HydrophobicContact CB-CB 4.3Å; Y437-N601 CarbonylContact O-C 3.58Å; Y437-N601 WeakPolarHBondContact O-CA 3.06Å; N601-K603 PolarHBondContact O-N 3.35Å; N601-K603 VanDerWaalsContact O-N 3.13Å; N601-K603 WeakPolarHBondContact OD1-CA 3.02Å; N601-K603 WeakPolarHBondContact OD1-CB 3.35Å; N601-K603 PolarHBondContact OD1-N 3.16Å; N601-K604 WeakPolarHBondContact O-CA 3.4Å; N601-K604 PolarHBondContact O-N 2.04Å; N601-K604 PolarHBondContact OD1-N 2.81Å; N601-N605 VanDerWaalsContact CG-O 3.27Å; N601-N605 PolarHBondContact N-O 3.02Å; N601-N605 PolarHBondContact OD1-N 3.27Å; N601-N605 PolarHBondContact OD1-O 3.29Å; N601-D627 PolarHBondContact ND2-OD2 2.8Å
602N92.6Very high93.9Very high45 Ų4550.7 Ų50.724%0.24128%0.282CS..THydrogen-bonded Turntrans-60.8-19.2-179.567.8-58.9000115.3V436 Y437V436-N602 WeakPolarHBondContact CA-OD1 3.11Å; V436-N602 WeakPolarHBondContact CB-OD1 3.28Å; Y437-N602 HydrophobicContact CD1-CB 4.23Å; Y437-N602 HydrophobicContact CD2-CB 3.57Å; Y437-N602 HydrophobicContact CE1-CB 4.01Å; Y437-N602 VanDerWaalsContact CE1-ND2 3.3Å; Y437-N602 WeakPolarHBondContact CE1-ND2 3.41Å; Y437-N602 HydrophobicContact CE2-CB 3.29Å; Y437-N602 HydrophobicContact CG-CB 4.04Å; Y437-N602 PolarHBondContact N-OD1 2.96Å; Y437-N602 PolarHBondContact O-N 2.62Å; Y437-N602 PolarHBondContact O-OD1 3.14Å
603K92.7Very high94Very high96 Ų9649.1 Ų49.142%0.41726%0.263SS..THydrogen-bonded Turntrans-87.27.3171.3-67172.7172.41750113V436 N601 N605 D627V436-K603 HydrophobicContact CG1-CD 3.94Å; V436-K603 HydrophobicContact CG1-CG 4.5Å; N601-K603 PolarHBondContact O-N 3.35Å; N601-K603 VanDerWaalsContact O-N 3.13Å; N601-K603 WeakPolarHBondContact OD1-CA 3.02Å; N601-K603 WeakPolarHBondContact OD1-CB 3.35Å; N601-K603 PolarHBondContact OD1-N 3.16Å; K603-N605 VanDerWaalsContact C-N 3.32Å; K603-N605 PolarHBondContact O-N 3.31Å; K603-D627 HydrophobicContact CD-CB 4.17Å; K603-D627 WeakPolarHBondContact CD-OD1 3.24Å; K603-D627 IonicContact NZ-OD1 3.54Å; K603-D627 PolarHBondContact NZ-OD1 3.4Å
604K94Very high93.9Very high120 Ų12046.8 Ų46.852%0.52226%0.257SS..SBendtrans63.729.2-176.3-54.2178.9-179.7-179.10114K593 N601K593-K604 WeakPolarHBondContact CE-O 3.37Å; K593-K604 PolarHBondContact NZ-O 3Å; N601-K604 WeakPolarHBondContact O-CA 3.4Å; N601-K604 PolarHBondContact O-N 2.04Å; N601-K604 PolarHBondContact OD1-N 2.81Å
605N95.7Very high93.8Very high42 Ų4250.7 Ų50.723%0.22528%0.282CS..  trans-108.4153.3174.5-64.4-45000111.1N601 K603 I626 D627N601-N605 VanDerWaalsContact CG-O 3.27Å; N601-N605 PolarHBondContact N-O 3.02Å; N601-N605 PolarHBondContact OD1-N 3.27Å; N601-N605 PolarHBondContact OD1-O 3.29Å; K603-N605 VanDerWaalsContact C-N 3.32Å; K603-N605 PolarHBondContact O-N 3.31Å; N605-I626 HydrophobicContact CB-CD1 4.28Å; N605-I626 HydrophobicContact CB-CG1 4.13Å; N605-D627 WeakPolarHBondContact CB-OD2 3.47Å; N605-D627 PolarHBondContact ND2-OD2 3.46Å
606C96.1Very high93.9Very high1 Ų151.6 Ų51.61%0.00728%0.283CS..EExtended strand (participates in β ladder)trans-77.8135.1177.9-61.10000111.3C594 V599 P615 S625C594-C606 WeakPolarHBondContact CA-SG 3.49Å; C594-C606 HydrophobicContact CB-CB 3.76Å; C594-C606 WeakPolarHBondContact CB-SG 3.02Å; C594-C606 VanDerWaalsContact SG-CA 3.57Å; C594-C606 WeakPolarHBondContact SG-CB 3.29Å; C594-C606 CovalentContact SG-SG 2.04Å; C594-C606 PolarHBondContact SG-SG 3.44Å; V599-C606 CarbonylContact O-C 3.56Å; V599-C606 WeakPolarHBondContact O-CA 3.37Å; C606-P615 VanDerWaalsContact CB-O 3.3Å; C606-P615 WeakPolarHBondContact CB-O 3.23Å; C606-P615 PolarHBondContact SG-O 2.86Å; C606-S625 WeakPolarHBondContact O-CA 3.04Å; C606-S625 VanDerWaalsContact O-CB 3.29Å; C606-S625 WeakPolarHBondContact O-CB 3.24Å; C606-S625 PolarHBondContact O-OG 2.98Å
607H95.5Very high94Very high12 Ų1248.2 Ų48.26%0.05625%0.248CC..EExtended strand (participates in β ladder)trans-104.8102165.7-171.5107.5000107.1L421 P422 G598 V599 G624 S628L421-H607 HydrophobicContact CD1-CB 4.01Å; P422-H607 PolarHBondContact O-CE1 2.91Å; G598-H607 CarbonylContact C-O 3.21Å; G598-H607 WeakPolarHBondContact CA-O 3.33Å; V599-H607 HydrophobicContact CG2-CB 4.12Å; V599-H607 PolarHBondContact N-O 2.88Å; V599-H607 PolarHBondContact O-N 3.02Å; H607-G624 CarbonylContact C-O 3.57Å; H607-S628 PolarHBondContact CE1-OG 2.04Å; H607-S628 VanDerWaalsContact CE1-OG 3.25Å; H607-S628 PolarHBondContact ND1-OG 2.82Å; H607-S628 VanDerWaalsContact ND1-OG 3.08Å
608C95.7Very high94Very high1 Ų148.9 Ų48.91%0.00726%0.256CS..EExtended strand (participates in β ladder)trans-83150.1-170.2-57.90000112.7W612 C617 G623 G624 M631C608-W612 HydrophobicContact CB-CB 4.1Å; C608-W612 WeakPolarHBondContact CB-O 3.42Å; C608-C617 WeakPolarHBondContact CA-SG 3.45Å; C608-C617 HydrophobicContact CB-CB 3.8Å; C608-C617 WeakPolarHBondContact CB-SG 3.5Å; C608-C617 WeakPolarHBondContact SG-CA 3.4Å; C608-C617 WeakPolarHBondContact SG-CB 3.4Å; C608-C617 CovalentContact SG-SG 2.04Å; C608-C617 PolarHBondContact SG-SG 3.38Å; C608-G623 WeakPolarHBondContact O-CA 3.27Å; C608-G624 PolarHBondContact N-O 3.41Å; C608-G624 PolarHBondContact O-N 3.05Å; C608-M631 WeakPolarHBondContact O-CE 3.42Å
609E93.9Very high94.1Very high105 Ų10554.4 Ų54.449%0.49128%0.278SS..  trans-61159169.7-71.7170.9-158.500112R597 Q611 W612 G623R597-E609 WeakPolarHBondContact O-CB 3.43Å; R597-E609 WeakPolarHBondContact O-CG 3.49Å; R597-E609 PolarHBondContact O-N 3.45Å; E609-Q611 PolarHBondContact O-N 2.75Å; E609-W612 PolarHBondContact O-N 3.47Å; E609-G623 WeakPolarHBondContact O-CA 3.05Å
610A88.3Confident93.9Very high34 Ų3457 Ų5728%0.28130%0.295SS..THydrogen-bonded Turntrans-56.8-2-169.900000117.5M631 R632A610-M631 HydrophobicContact CB-CE 4.33Å; A610-M631 HydrophobicContact CB-CG 4.48Å; A610-M631 HydrophobicContact CB-SD 3.69Å; A610-R632 HydrophobicContact CB-CG 4.13Å; A610-R632 WeakPolarHBondContact O-CD 3.35Å
611Q90.4Very high93.7Very high131 Ų13158.1 Ų58.161%0.61231%0.307SS*.THydrogen-bonded Turntrans-119.53.2-180-61.6-176.4700113.2E609 P620 G621E609-Q611 PolarHBondContact O-N 2.75Å; Q611-P620 CarbonylContact O-C 3.58Å; Q611-P620 WeakPolarHBondContact O-CA 3.42Å; Q611-G621 CarbonylContact C-O 3.55Å; Q611-G621 VanDerWaalsContact CA-O 3.3Å; Q611-G621 WeakPolarHBondContact CA-O 3.18Å; Q611-G621 PolarHBondContact O-N 2.85Å
612W94.6Very high93.5Very high46 Ų4663 Ų6317%0.17433%0.329CS..BIsolated β-bridgetrans-127.6147.1-170.2-5893.2000111.8R597 C608 E609 C617 E618 E619 G621 G623R597-W612 HydrophobicContact CB-CD2 4.4Å; R597-W612 HydrophobicContact CB-CG 4.06Å; R597-W612 VanDerWaalsContact CZ-CZ2 3.44Å; C608-W612 HydrophobicContact CB-CB 4.1Å; C608-W612 WeakPolarHBondContact CB-O 3.42Å; E609-W612 PolarHBondContact O-N 3.47Å; W612-C617 HydrophobicContact CB-CB 4.03Å; W612-E618 VanDerWaalsContact CZ3-O 3.27Å; W612-E618 WeakPolarHBondContact CZ3-O 3.34Å; W612-E619 CarbonylContact C-O 3.33Å; W612-E619 WeakPolarHBondContact CA-O 3.32Å; W612-G621 PolarHBondContact N-O 3.33Å; W612-G623 WeakPolarHBondContact O-CA 3.41Å; W612-G623 PolarHBondContact O-N 2.75Å
613A92.6Very high93.5Very high26 Ų2661 Ų6122%0.21532%0.318CS..  trans-94.2132.6-177.200000111.5C617 E619A613-C617 VanDerWaalsContact O-CA 3.23Å; A613-C617 WeakPolarHBondContact O-CA 3.48Å; A613-C617 PolarHBondContact O-N 3.1Å; A613-E619 HydrophobicContact CB-CB 4.41Å; A613-E619 PolarHBondContact N-O 3.2Å
614P93.8Very high93.5Very high39 Ų3956.4 Ų56.425%0.25330%0.298SS..THydrogen-bonded Turntrans-63.9154.8161.631.2-35.1000109.7I626P614-I626 HydrophobicContact CB-CG2 4Å; P614-I626 HydrophobicContact CG-CG2 4.25Å
615P94Very high93.6Very high82 Ų8250.8 Ų50.853%0.53227%0.274SS..THydrogen-bonded Turncis-93.5-11.719.733.8-35000116.6C606C606-P615 VanDerWaalsContact CB-O 3.3Å; C606-P615 WeakPolarHBondContact CB-O 3.23Å; C606-P615 PolarHBondContact SG-O 2.86Å
616L95.3Very high93.4Very high64 Ų6454 Ų5434%0.33529%0.29SS..THydrogen-bonded Turntrans-116.4-8.5-174.3-60179000114.6K593 C594 S595 E618K593-L616 HydrophobicContact CB-CD2 4.2Å; K593-L616 HydrophobicContact CD-CD2 4.32Å; K593-L616 WeakPolarHBondContact O-CD2 3.15Å; C594-L616 CarbonylContact C-O 3.49Å; C594-L616 VanDerWaalsContact CA-O 3.29Å; C594-L616 WeakPolarHBondContact CA-O 3.29Å; S595-L616 PolarHBondContact N-O 3.31Å; S595-L616 PolarHBondContact OG-O 3.27Å; L616-E618 HydrophobicContact CB-CG 3.89Å; L616-E618 PolarHBondContact O-N 2.93Å
617C95.9Very high93.3Very high0 Ų055.2 Ų55.20%030%0.296CS..SBendtrans63.723.2-174.4-37.70000114.3R597 C608 W612 A613R597-C617 HydrophobicContact CB-CB 4.08Å; C608-C617 WeakPolarHBondContact CA-SG 3.45Å; C608-C617 HydrophobicContact CB-CB 3.8Å; C608-C617 WeakPolarHBondContact CB-SG 3.5Å; C608-C617 WeakPolarHBondContact SG-CA 3.4Å; C608-C617 WeakPolarHBondContact SG-CB 3.4Å; C608-C617 CovalentContact SG-SG 2.04Å; C608-C617 PolarHBondContact SG-SG 3.38Å; W612-C617 HydrophobicContact CB-CB 4.03Å; A613-C617 VanDerWaalsContact O-CA 3.23Å; A613-C617 WeakPolarHBondContact O-CA 3.48Å; A613-C617 PolarHBondContact O-N 3.1Å
618E95.5Very high93.1Very high120 Ų12054.6 Ų54.656%0.56129%0.294SS*.  trans-81.9-38.7177.2-69.3179.6166.200113S595 W612 L616S595-E618 WeakPolarHBondContact OG-CG 3.38Å; W612-E618 VanDerWaalsContact CZ3-O 3.27Å; W612-E618 WeakPolarHBondContact CZ3-O 3.34Å; L616-E618 HydrophobicContact CB-CG 3.89Å; L616-E618 PolarHBondContact O-N 2.93Å
619E93.8Very high92.8Very high132 Ų13254.9 Ų54.962%0.61730%0.297SS*.SBendtrans-99.3152.3-174-69.7-61.6155.100112.1W612 A613W612-E619 CarbonylContact C-O 3.33Å; W612-E619 WeakPolarHBondContact CA-O 3.32Å; A613-E619 HydrophobicContact CB-CB 4.41Å; A613-E619 PolarHBondContact N-O 3.2Å
620P92.4Very high92.7Very high100 Ų10051.4 Ų51.465%0.64928%0.283SS*.BIsolated β-bridgetrans-60137.9172.8-23.134.4000112.5Q611Q611-P620 CarbonylContact O-C 3.58Å; Q611-P620 WeakPolarHBondContact O-CA 3.42Å
621G90.5Very high92.7Very high25 Ų2552.4 Ų52.426%0.25828%0.283SS..  trans-168.1-169.1-176.600000114.9Q611 W612Q611-G621 CarbonylContact C-O 3.55Å; Q611-G621 VanDerWaalsContact CA-O 3.3Å; Q611-G621 WeakPolarHBondContact CA-O 3.18Å; Q611-G621 PolarHBondContact O-N 2.85Å; W612-G621 PolarHBondContact N-O 3.33Å
622F90.5Very high92.3Very high103 Ų10352.6 Ų52.645%0.45228%0.278SS..  trans-89.45.8-175.7-62.3-77.9000114.1P630 M631 R632 A634F622-P630 HydrophobicContact CB-CB 3.85Å; F622-M631 CarbonylContact O-C 3.58Å; F622-M631 WeakPolarHBondContact O-CA 3.25Å; F622-M631 WeakPolarHBondContact O-CB 3.27Å; F622-M631 PolarHBondContact O-N 3.45Å; F622-R632 HydrophobicContact CB-CB 4.16Å; F622-R632 HydrophobicContact CD1-CB 4.07Å; F622-R632 PolarHBondContact O-N 3.08Å; F622-A634 HydrophobicContact CE1-CB 4.49Å; F622-A634 HydrophobicContact CZ-CB 4.37Å
623G92.7Very high91.4Very high1 Ų154.6 Ų54.61%0.0129%0.292CS..  trans70.7-173.6-174.200000113.9C608 E609 W612 P630 M631C608-G623 WeakPolarHBondContact O-CA 3.27Å; E609-G623 WeakPolarHBondContact O-CA 3.05Å; W612-G623 WeakPolarHBondContact O-CA 3.41Å; W612-G623 PolarHBondContact O-N 2.75Å; G623-P630 VanDerWaalsContact O-CA 3.28Å; G623-P630 WeakPolarHBondContact O-CA 3.11Å; G623-M631 PolarHBondContact O-N 2.75Å; G623-M631 VanDerWaalsContact O-N 3.16Å
624G93Very high89.9Confident0 Ų055.4 Ų55.40%030%0.298CS..BIsolated β-bridgetrans80.6-161.7-178.700000113H607 C608 G629H607-G624 CarbonylContact C-O 3.57Å; C608-G624 PolarHBondContact N-O 3.41Å; C608-G624 PolarHBondContact O-N 3.05Å; G624-G629 WeakPolarHBondContact CA-O 3.43Å
625S94.8Very high88Confident3 Ų356 Ų562%0.02131%0.307CS..BIsolated β-bridgetrans-131.1160.5-175.5-166.70000111.3C606 D627 S628 G629C606-S625 WeakPolarHBondContact O-CA 3.04Å; C606-S625 VanDerWaalsContact O-CB 3.29Å; C606-S625 WeakPolarHBondContact O-CB 3.24Å; C606-S625 PolarHBondContact O-OG 2.98Å; S625-D627 PolarHBondContact O-N 2.89Å; S625-D627 VanDerWaalsContact O-N 3.15Å; S625-S628 VanDerWaalsContact CB-OG 3.28Å; S625-S628 WeakPolarHBondContact CB-OG 3.44Å; S625-S628 PolarHBondContact N-OG 3.4Å; S625-S628 PolarHBondContact O-N 2.81Å; S625-G629 PolarHBondContact N-O 2.8Å; S625-G629 PolarHBondContact O-N 3.5Å
626I93.1Very high86.1Confident108 Ų10857.4 Ų57.455%0.55431%0.31SS*.THydrogen-bonded Turntrans-57.6-23.516765178000112.3N605 P614N605-I626 HydrophobicContact CB-CD1 4.28Å; N605-I626 HydrophobicContact CB-CG1 4.13Å; P614-I626 HydrophobicContact CB-CG2 4Å; P614-I626 HydrophobicContact CG-CG2 4.25Å
627D92.5Very high84.2Confident27 Ų2757.4 Ų57.414%0.14432%0.315CS..THydrogen-bonded Turntrans-90.9-21.7178.3-67.5-66.2000115.2P433 V436 N601 K603 N605 S625P433-D627 VanDerWaalsContact CB-O 3.23Å; P433-D627 WeakPolarHBondContact CB-O 3.25Å; V436-D627 HydrophobicContact CG1-CB 3.75Å; V436-D627 HydrophobicContact CG2-CB 4.48Å; N601-D627 PolarHBondContact ND2-OD2 2.8Å; K603-D627 HydrophobicContact CD-CB 4.17Å; K603-D627 WeakPolarHBondContact CD-OD1 3.24Å; K603-D627 IonicContact NZ-OD1 3.54Å; K603-D627 PolarHBondContact NZ-OD1 3.4Å; N605-D627 WeakPolarHBondContact CB-OD2 3.47Å; N605-D627 PolarHBondContact ND2-OD2 3.46Å; S625-D627 PolarHBondContact O-N 2.89Å; S625-D627 VanDerWaalsContact O-N 3.15Å
628S91Very high82.5Confident0 Ų062.3 Ų62.30%034%0.344CS..THydrogen-bonded Turntrans-121.26.4-165.770.90000113.9F424 H607 S625F424-S628 PolarHBondContact N-O 3.44Å; H607-S628 PolarHBondContact CE1-OG 2.04Å; H607-S628 VanDerWaalsContact CE1-OG 3.25Å; H607-S628 PolarHBondContact ND1-OG 2.82Å; H607-S628 VanDerWaalsContact ND1-OG 3.08Å; S625-S628 VanDerWaalsContact CB-OG 3.28Å; S625-S628 WeakPolarHBondContact CB-OG 3.44Å; S625-S628 PolarHBondContact N-OG 3.4Å; S625-S628 PolarHBondContact O-N 2.81Å
629G90.9Very high80.7Confident7 Ų761.5 Ų61.57%0.07234%0.344CS..BIsolated β-bridgetrans71.1172-171.200000113.7G624 S625G624-G629 WeakPolarHBondContact CA-O 3.43Å; S625-G629 PolarHBondContact N-O 2.8Å; S625-G629 PolarHBondContact O-N 3.5Å
630P92.2Very high79.4Confident32 Ų3260.4 Ų60.421%0.20834%0.341CS..  trans-72.4144.4177.230-32.9000111.2A408 G409 F424 F622 G623A408-P630 HydrophobicContact CB-CG 4.17Å; G409-P630 VanDerWaalsContact CA-O 3.31Å; G409-P630 WeakPolarHBondContact CA-O 3.47Å; F424-P630 WeakPolarHBondContact CB-O 3.49Å; F424-P630 WeakPolarHBondContact CG-O 3.48Å; F622-P630 HydrophobicContact CB-CB 3.85Å; G623-P630 VanDerWaalsContact O-CA 3.28Å; G623-P630 WeakPolarHBondContact O-CA 3.11Å
631M87.5Confident78.2Confident55 Ų5559.7 Ų59.727%0.27133%0.334SS..SBendtrans-77.6-31.9-178.2177.3-178.4-22.200113.7F424 C608 A610 F622 G623F424-M631 HydrophobicContact CD2-CB 4.43Å; F424-M631 HydrophobicContact CE1-CB 4.39Å; F424-M631 HydrophobicContact CE1-CG 3.97Å; F424-M631 WeakPolarHBondContact CE1-O 3.02Å; F424-M631 HydrophobicContact CE2-CB 4Å; F424-M631 HydrophobicContact CE2-CG 4.06Å; F424-M631 HydrophobicContact CZ-CB 4Å; F424-M631 HydrophobicContact CZ-CG 3.58Å; C608-M631 WeakPolarHBondContact O-CE 3.42Å; A610-M631 HydrophobicContact CB-CE 4.33Å; A610-M631 HydrophobicContact CB-CG 4.48Å; A610-M631 HydrophobicContact CB-SD 3.69Å; F622-M631 CarbonylContact O-C 3.58Å; F622-M631 WeakPolarHBondContact O-CA 3.25Å; F622-M631 WeakPolarHBondContact O-CB 3.27Å; F622-M631 PolarHBondContact O-N 3.45Å; G623-M631 PolarHBondContact O-N 2.75Å; G623-M631 VanDerWaalsContact O-N 3.16Å
632R82.7Confident77.6Confident135 Ų13562.1 Ų62.151%0.50934%0.344SS..SBendtrans-101.3144.4179.3-69.5-174.265.9143.90.7110.8G409 A610 F622 A634G409-R632 WeakPolarHBondContact CA-O 3.46Å; A610-R632 HydrophobicContact CB-CG 4.13Å; A610-R632 WeakPolarHBondContact O-CD 3.35Å; F622-R632 HydrophobicContact CB-CB 4.16Å; F622-R632 HydrophobicContact CD1-CB 4.07Å; F622-R632 PolarHBondContact O-N 3.08Å; R632-A634 PolarHBondContact O-N 3.21Å; R632-A634 VanDerWaalsContact O-N 3.14Å
633L74.8Confident77.1Confident88 Ų8861 Ų6146%0.46135%0.345SS..  trans-49.1121.7164-73.3171.6000109.7L407 A408 A635L407-L633 HydrophobicContact CB-CD2 3.72Å; L407-L633 HydrophobicContact CD1-CD2 4.36Å; A408-L633 VanDerWaalsContact O-CA 3.28Å; A408-L633 WeakPolarHBondContact O-CA 3.05Å; L633-A635 PolarHBondContact O-N 3.33Å
634A61.3Low76.7Confident42 Ų4264.4 Ų64.435%0.34737%0.366SS..  trans-70.667.5165.600000108.5A408 F622 R632 D636A408-A634 HydrophobicContact CB-CB 4.26Å; A408-A634 PolarHBondContact O-N 2.74Å; F622-A634 HydrophobicContact CE1-CB 4.49Å; F622-A634 HydrophobicContact CZ-CB 4.37Å; R632-A634 PolarHBondContact O-N 3.21Å; R632-A634 VanDerWaalsContact O-N 3.14Å; A634-D636 PolarHBondContact O-N 3.1Å
635A53.2Low76.5Confident53 Ų5369.8 Ų69.844%0.43839%0.394SS..  trans-68.3128.5177.500000108.8L633 S637L633-A635 PolarHBondContact O-N 3.33Å; A635-S637 PolarHBondContact O-N 3.02Å; A635-S637 PolarHBondContact O-OG 2.82Å
636D54.8Low76.3Confident111 Ų11173.6 Ų73.659%0.59442%0.417SS*.THydrogen-bonded Turntrans-59.119.6169.4-79.8-40.2000114.3A634 V638 L639 I640A634-D636 PolarHBondContact O-N 3.1Å; D636-V638 PolarHBondContact O-N 2.79Å; D636-V638 VanDerWaalsContact O-N 3.11Å; D636-L639 HydrophobicContact CB-CB 4.22Å; D636-L639 CarbonylContact O-C 3.51Å; D636-L639 WeakPolarHBondContact O-CA 3.22Å; D636-L639 PolarHBondContact O-N 3.39Å; D636-I640 WeakPolarHBondContact O-CG1 3.49Å; D636-I640 PolarHBondContact O-N 3.11Å
637S55.3Low76.1Confident64 Ų6471.8 Ų71.845%0.44841%0.411SS..Hα-helixtrans-42.6-37.3165.259.60000113.5A635 T641A635-S637 PolarHBondContact O-N 3.02Å; A635-S637 PolarHBondContact O-OG 2.82Å; S637-T641 VanDerWaalsContact O-CB 3.3Å; S637-T641 WeakPolarHBondContact O-CB 3.06Å; S637-T641 VanDerWaalsContact O-CG2 3.26Å; S637-T641 WeakPolarHBondContact O-CG2 3.15Å; S637-T641 PolarHBondContact O-N 3.27Å; S637-T641 PolarHBondContact O-OG1 3.16Å
638V59.4Low76.2Confident102 Ų10275.2 Ų75.262%0.61843%0.429SS*.Hα-helixtrans-69.3-45.9174.1-177.60000111.3D636 T641 V642D636-V638 PolarHBondContact O-N 2.79Å; D636-V638 VanDerWaalsContact O-N 3.11Å; V638-T641 WeakPolarHBondContact CA-OG1 3.47Å; V638-T641 PolarHBondContact O-N 3.37Å; V638-T641 PolarHBondContact O-OG1 3.32Å; V638-T641 VanDerWaalsContact O-OG1 3.09Å; V638-V642 HydrophobicContact CG1-CG2 4.43Å; V638-V642 WeakPolarHBondContact O-CB 3.39Å; V638-V642 WeakPolarHBondContact O-CG2 3.2Å; V638-V642 PolarHBondContact O-N 3.47Å
639L59.1Low76.3Confident104 Ų10478.8 Ų78.855%0.54545%0.451SS..Hα-helixtrans-65.4-42.8177.1-173.964.5000111.5D636 V642 V643D636-L639 HydrophobicContact CB-CB 4.22Å; D636-L639 CarbonylContact O-C 3.51Å; D636-L639 WeakPolarHBondContact O-CA 3.22Å; D636-L639 PolarHBondContact O-N 3.39Å; L639-V642 PolarHBondContact O-N 2.9Å; L639-V643 WeakPolarHBondContact O-CB 3.05Å; L639-V643 VanDerWaalsContact O-CG2 3.25Å; L639-V643 WeakPolarHBondContact O-CG2 3.35Å; L639-V643 PolarHBondContact O-N 3.5Å
640I65.1Low76.3Confident109 Ų10981.6 Ų81.656%0.55947%0.469SS*.Hα-helixtrans-64-46.3177.3-65167.5000110.4D636 V643 V644D636-I640 WeakPolarHBondContact O-CG1 3.49Å; D636-I640 PolarHBondContact O-N 3.11Å; I640-V643 PolarHBondContact O-N 2.02Å; I640-V644 HydrophobicContact CG2-CG2 4.5Å; I640-V644 WeakPolarHBondContact O-CB 3.43Å; I640-V644 VanDerWaalsContact O-CG2 3.27Å; I640-V644 WeakPolarHBondContact O-CG2 3.08Å; I640-V644 PolarHBondContact O-N 3.36Å
641T68.8Low76.3Confident84 Ų8485.4 Ų85.452%0.51549%0.487SS..Hα-helixtrans-65-41176.448.60000112S637 V638 V644 L645S637-T641 VanDerWaalsContact O-CB 3.3Å; S637-T641 WeakPolarHBondContact O-CB 3.06Å; S637-T641 VanDerWaalsContact O-CG2 3.26Å; S637-T641 WeakPolarHBondContact O-CG2 3.15Å; S637-T641 PolarHBondContact O-N 3.27Å; S637-T641 PolarHBondContact O-OG1 3.16Å; V638-T641 WeakPolarHBondContact CA-OG1 3.47Å; V638-T641 PolarHBondContact O-N 3.37Å; V638-T641 PolarHBondContact O-OG1 3.32Å; V638-T641 VanDerWaalsContact O-OG1 3.09Å; T641-V644 PolarHBondContact O-N 3.35Å; T641-L645 VanDerWaalsContact O-CB 3.3Å; T641-L645 WeakPolarHBondContact O-CB 3.27Å; T641-L645 PolarHBondContact O-N 2.84Å
642V76.8Confident76.5Confident76 Ų7688.2 Ų88.246%0.46150%0.503SS..Hα-helixtrans-62.2-44.3174.1168.90000111.5V638 L639 V644 L645 V646V638-V642 HydrophobicContact CG1-CG2 4.43Å; V638-V642 WeakPolarHBondContact O-CB 3.39Å; V638-V642 WeakPolarHBondContact O-CG2 3.2Å; V638-V642 PolarHBondContact O-N 3.47Å; L639-V642 PolarHBondContact O-N 2.9Å; V642-V644 PolarHBondContact O-N 3.11Å; V642-L645 PolarHBondContact O-N 3Å; V642-V646 HydrophobicContact CG1-CG2 4.2Å; V642-V646 WeakPolarHBondContact O-CB 3.01Å; V642-V646 VanDerWaalsContact O-CG2 3.25Å; V642-V646 WeakPolarHBondContact O-CG2 3.37Å; V642-V646 PolarHBondContact O-N 2.76Å
643V80.2Confident76.9Confident79 Ų7985.5 Ų85.548%0.47950%0.501SS..Hα-helixtrans-63.3-41.7176.11690000111.3L639 I640 T647L639-V643 WeakPolarHBondContact O-CB 3.05Å; L639-V643 VanDerWaalsContact O-CG2 3.25Å; L639-V643 WeakPolarHBondContact O-CG2 3.35Å; L639-V643 PolarHBondContact O-N 3.5Å; I640-V643 PolarHBondContact O-N 2.02Å; V643-T647 HydrophobicContact CG1-CG2 4.5Å; V643-T647 WeakPolarHBondContact O-CB 3.44Å; V643-T647 VanDerWaalsContact O-CG2 3.3Å; V643-T647 WeakPolarHBondContact O-CG2 3.28Å; V643-T647 PolarHBondContact O-N 3Å; V643-T647 PolarHBondContact O-OG1 3.02Å
644V85.2Confident77.6Confident74 Ų7483.6 Ų83.645%0.44850%0.498SS..Hα-helixtrans-63.5-40.3174.2169.40000111.4I640 T641 V642 T647 L648I640-V644 HydrophobicContact CG2-CG2 4.5Å; I640-V644 WeakPolarHBondContact O-CB 3.43Å; I640-V644 VanDerWaalsContact O-CG2 3.27Å; I640-V644 WeakPolarHBondContact O-CG2 3.08Å; I640-V644 PolarHBondContact O-N 3.36Å; T641-V644 PolarHBondContact O-N 3.35Å; V642-V644 PolarHBondContact O-N 3.11Å; V644-T647 WeakPolarHBondContact CA-OG1 3.48Å; V644-T647 PolarHBondContact O-OG1 3.16Å; V644-L648 HydrophobicContact CG1-CD1 3.94Å; V644-L648 WeakPolarHBondContact O-CB 3.43Å; V644-L648 VanDerWaalsContact O-CG 3.25Å; V644-L648 WeakPolarHBondContact O-CG 3.43Å; V644-L648 PolarHBondContact O-N 3.42Å
645L88.1Confident78.8Confident113 Ų11385.7 Ų85.759%0.59251%0.506SS*.Hα-helixtrans-72-41-179.9-142.7148.4000111.7T641 V642 L648 V649T641-L645 VanDerWaalsContact O-CB 3.3Å; T641-L645 WeakPolarHBondContact O-CB 3.27Å; T641-L645 PolarHBondContact O-N 2.84Å; V642-L645 PolarHBondContact O-N 3Å; L645-L648 PolarHBondContact O-N 2.83Å; L645-V649 HydrophobicContact CD2-CG2 4.21Å; L645-V649 WeakPolarHBondContact O-CB 3.31Å; L645-V649 VanDerWaalsContact O-CG2 3.28Å; L645-V649 WeakPolarHBondContact O-CG2 3.48Å; L645-V649 PolarHBondContact O-N 2.84Å
646V90.7Very high80.5Confident83 Ų8387 Ų8750%0.50351%0.509SS..Hα-helixtrans-65.1-40.2174.3169.60000111.5V642 S650V642-V646 HydrophobicContact CG1-CG2 4.2Å; V642-V646 WeakPolarHBondContact O-CB 3.01Å; V642-V646 VanDerWaalsContact O-CG2 3.25Å; V642-V646 WeakPolarHBondContact O-CG2 3.37Å; V642-V646 PolarHBondContact O-N 2.76Å; V646-S650 VanDerWaalsContact O-CB 3.27Å; V646-S650 WeakPolarHBondContact O-CB 3.32Å; V646-S650 PolarHBondContact O-N 2.82Å; V646-S650 PolarHBondContact O-OG 3.08Å
647T89.6Confident82Confident70 Ų7085.9 Ų85.943%0.42950%0.502SS..Hα-helixtrans-68.9-41.8175.949.50000112.1V643 V644 S650 L651V643-T647 HydrophobicContact CG1-CG2 4.5Å; V643-T647 WeakPolarHBondContact O-CB 3.44Å; V643-T647 VanDerWaalsContact O-CG2 3.3Å; V643-T647 WeakPolarHBondContact O-CG2 3.28Å; V643-T647 PolarHBondContact O-N 3Å; V643-T647 PolarHBondContact O-OG1 3.02Å; V644-T647 WeakPolarHBondContact CA-OG1 3.48Å; V644-T647 PolarHBondContact O-OG1 3.16Å; T647-S650 PolarHBondContact O-N 3.28Å; T647-L651 WeakPolarHBondContact O-CG 3.46Å; T647-L651 PolarHBondContact O-N 3.02Å
648L93Very high83.5Confident99 Ų9987.6 Ų87.652%0.51851%0.509SS..Hα-helixtrans-59.9-46.3172.3-76.5168.5000112.3V644 L645 S650 L651 L652V644-L648 HydrophobicContact CG1-CD1 3.94Å; V644-L648 WeakPolarHBondContact O-CB 3.43Å; V644-L648 VanDerWaalsContact O-CG 3.25Å; V644-L648 WeakPolarHBondContact O-CG 3.43Å; V644-L648 PolarHBondContact O-N 3.42Å; L645-L648 PolarHBondContact O-N 2.83Å; L648-S650 VanDerWaalsContact C-N 3.34Å; L648-S650 PolarHBondContact O-N 2.94Å; L648-L651 PolarHBondContact O-N 3.06Å; L648-L652 WeakPolarHBondContact O-CG 3.32Å; L648-L652 PolarHBondContact O-N 2.86Å
649V93.4Very high84.6Confident74 Ų7489.3 Ų89.345%0.44851%0.509SS..Hα-helixtrans-63.2-40.7176.1170.30000111L645 L651 L652 V653L645-V649 HydrophobicContact CD2-CG2 4.21Å; L645-V649 WeakPolarHBondContact O-CB 3.31Å; L645-V649 VanDerWaalsContact O-CG2 3.28Å; L645-V649 WeakPolarHBondContact O-CG2 3.48Å; L645-V649 PolarHBondContact O-N 2.84Å; V649-L651 PolarHBondContact O-N 2.03Å; V649-L652 PolarHBondContact O-N 2.77Å; V649-V653 HydrophobicContact CG1-CG2 4.42Å; V649-V653 WeakPolarHBondContact O-CG2 3.28Å; V649-V653 PolarHBondContact O-N 2.67Å
650S90.4Very high85.7Confident66 Ų6688.7 Ų88.746%0.46251%0.506SS..Hα-helixtrans-63.5-39.4177.4-61.20000112.4V646 T647 L648 V653 A654V646-S650 VanDerWaalsContact O-CB 3.27Å; V646-S650 WeakPolarHBondContact O-CB 3.32Å; V646-S650 PolarHBondContact O-N 2.82Å; V646-S650 PolarHBondContact O-OG 3.08Å; T647-S650 PolarHBondContact O-N 3.28Å; L648-S650 VanDerWaalsContact C-N 3.34Å; L648-S650 PolarHBondContact O-N 2.94Å; S650-V653 PolarHBondContact O-N 3.15Å; S650-A654 VanDerWaalsContact O-CB 3.31Å; S650-A654 WeakPolarHBondContact O-CB 3.37Å; S650-A654 PolarHBondContact O-N 2.77Å
651L92.9Very high86.4Confident113 Ų11390.4 Ų90.459%0.59251%0.509SS*.Hα-helixtrans-67.6-37.8173.8-70.6169.4000112.3T647 L648 V649 A654 T655T647-L651 WeakPolarHBondContact O-CG 3.46Å; T647-L651 PolarHBondContact O-N 3.02Å; L648-L651 PolarHBondContact O-N 3.06Å; V649-L651 PolarHBondContact O-N 2.03Å; L651-A654 PolarHBondContact O-N 2.82Å; L651-T655 WeakPolarHBondContact O-CB 3.42Å; L651-T655 WeakPolarHBondContact O-CG2 3.34Å; L651-T655 PolarHBondContact O-N 2.88Å; L651-T655 PolarHBondContact O-OG1 2.84Å
652L92.1Very high86.8Confident113 Ų11394.4 Ų94.459%0.59252%0.515SS*.Hα-helixtrans-64.7-43.6172.9-73.9168.1000111.7L648 V649 T655 V656L648-L652 WeakPolarHBondContact O-CG 3.32Å; L648-L652 PolarHBondContact O-N 2.86Å; V649-L652 PolarHBondContact O-N 2.77Å; L652-T655 WeakPolarHBondContact CA-OG1 3.39Å; L652-T655 PolarHBondContact O-N 2.91Å; L652-T655 PolarHBondContact O-OG1 2.88Å; L652-V656 WeakPolarHBondContact O-CB 3.37Å; L652-V656 VanDerWaalsContact O-CG2 3.29Å; L652-V656 WeakPolarHBondContact O-CG2 3.3Å; L652-V656 PolarHBondContact O-N 2.88Å
653V91.1Very high86.5Confident79 Ų7996.3 Ų96.348%0.47952%0.517SS..Hα-helixtrans-64.2-44.1175.1171.80000111V649 S650 V656 I657V649-V653 HydrophobicContact CG1-CG2 4.42Å; V649-V653 WeakPolarHBondContact O-CG2 3.28Å; V649-V653 PolarHBondContact O-N 2.67Å; S650-V653 PolarHBondContact O-N 3.15Å; V653-V656 PolarHBondContact O-N 2.71Å; V653-I657 HydrophobicContact CG1-CD1 3.71Å; V653-I657 HydrophobicContact CG1-CG1 4.37Å; V653-I657 WeakPolarHBondContact O-CB 3.41Å; V653-I657 VanDerWaalsContact O-CG1 3.27Å; V653-I657 WeakPolarHBondContact O-CG1 3.47Å; V653-I657 PolarHBondContact O-N 3.48Å
654A89.4Confident85.9Confident47 Ų4795.8 Ų95.839%0.38851%0.514SS..Hα-helixtrans-61.9-44.5177.200000112.3S650 L651 I657 V658S650-A654 VanDerWaalsContact O-CB 3.31Å; S650-A654 WeakPolarHBondContact O-CB 3.37Å; S650-A654 PolarHBondContact O-N 2.77Å; L651-A654 PolarHBondContact O-N 2.82Å; A654-I657 PolarHBondContact O-N 3.36Å; A654-V658 WeakPolarHBondContact O-CG2 3.27Å; A654-V658 PolarHBondContact O-N 2.99Å
655T87.1Confident84.8Confident86 Ų8696.8 Ų96.853%0.52852%0.516SS..Hα-helixtrans-65.8-39176.749.90000112.2L651 L652 V658 F659L651-T655 WeakPolarHBondContact O-CB 3.42Å; L651-T655 WeakPolarHBondContact O-CG2 3.34Å; L651-T655 PolarHBondContact O-N 2.88Å; L651-T655 PolarHBondContact O-OG1 2.84Å; L652-T655 WeakPolarHBondContact CA-OG1 3.39Å; L652-T655 PolarHBondContact O-N 2.91Å; L652-T655 PolarHBondContact O-OG1 2.88Å; T655-V658 PolarHBondContact O-N 2.72Å; T655-F659 WeakPolarHBondContact O-CB 3.32Å; T655-F659 PolarHBondContact O-N 3.13Å
656V88.4Confident83.5Confident82 Ų8295.7 Ų95.750%0.49751%0.51SS..Hα-helixtrans-63.1-43.6171.7169.70000111.6L652 V653 V658 F659 L660L652-V656 WeakPolarHBondContact O-CB 3.37Å; L652-V656 VanDerWaalsContact O-CG2 3.29Å; L652-V656 WeakPolarHBondContact O-CG2 3.3Å; L652-V656 PolarHBondContact O-N 2.88Å; V653-V656 PolarHBondContact O-N 2.71Å; V656-V658 PolarHBondContact O-N 3.05Å; V656-F659 PolarHBondContact O-N 3.25Å; V656-L660 HydrophobicContact CG1-CD1 3.87Å; V656-L660 HydrophobicContact CG1-CG 4.24Å; V656-L660 WeakPolarHBondContact O-CB 3.28Å; V656-L660 VanDerWaalsContact O-CG 3.29Å; V656-L660 WeakPolarHBondContact O-CG 3.21Å; V656-L660 PolarHBondContact O-N 3.35Å
657I86.8Confident82.1Confident87 Ų8799.1 Ų99.145%0.44651%0.514SS..Hα-helixtrans-61.9-43176-71.2167.7000110.9V653 A654 L660 K661V653-I657 HydrophobicContact CG1-CD1 3.71Å; V653-I657 HydrophobicContact CG1-CG1 4.37Å; V653-I657 WeakPolarHBondContact O-CB 3.41Å; V653-I657 VanDerWaalsContact O-CG1 3.27Å; V653-I657 WeakPolarHBondContact O-CG1 3.47Å; V653-I657 PolarHBondContact O-N 3.48Å; A654-I657 PolarHBondContact O-N 3.36Å; I657-L660 PolarHBondContact O-N 2.88Å; I657-K661 HydrophobicContact CG2-CG 4.32Å; I657-K661 WeakPolarHBondContact O-CB 3.17Å; I657-K661 VanDerWaalsContact O-CG 3.32Å; I657-K661 WeakPolarHBondContact O-CG 3.24Å; I657-K661 PolarHBondContact O-N 3.39Å
658V86.6Confident80.5Confident99 Ų99101.1 Ų101.160%0.652%0.522SS*.Hα-helixtrans-62.7-42.1174.4169.60000110.9A654 T655 V656 K661 R662A654-V658 WeakPolarHBondContact O-CG2 3.27Å; A654-V658 PolarHBondContact O-N 2.99Å; T655-V658 PolarHBondContact O-N 2.72Å; V656-V658 PolarHBondContact O-N 3.05Å; V658-K661 PolarHBondContact O-N 3.05Å; V658-R662 WeakPolarHBondContact O-CB 3.38Å; V658-R662 PolarHBondContact O-N 3.2Å
659F82.8Confident78.8Confident138 Ų138103.9 Ų103.961%0.60553%0.53SS*.Hα-helixtrans-66.6-39.9178-149.4-86.9000112.1T655 V656 R662 K663T655-F659 WeakPolarHBondContact O-CB 3.32Å; T655-F659 PolarHBondContact O-N 3.13Å; V656-F659 PolarHBondContact O-N 3.25Å; F659-R662 PolarHBondContact O-N 2.93Å; F659-K663 VanDerWaalsContact O-CB 3.26Å; F659-K663 WeakPolarHBondContact O-CB 3.34Å; F659-K663 PolarHBondContact O-N 2.99Å
660L80.5Confident77Confident91 Ų91107.9 Ų107.948%0.47654%0.542SS..Hα-helixtrans-66.5-47.2173.8-71.8174000111.4V656 I657 R662 K663 T664V656-L660 HydrophobicContact CG1-CD1 3.87Å; V656-L660 HydrophobicContact CG1-CG 4.24Å; V656-L660 WeakPolarHBondContact O-CB 3.28Å; V656-L660 VanDerWaalsContact O-CG 3.29Å; V656-L660 WeakPolarHBondContact O-CG 3.21Å; V656-L660 PolarHBondContact O-N 3.35Å; I657-L660 PolarHBondContact O-N 2.88Å; L660-R662 VanDerWaalsContact C-N 3.33Å; L660-R662 PolarHBondContact O-N 2.94Å; L660-K663 CarbonylContact O-C 3.6Å; L660-K663 PolarHBondContact O-N 3.5Å; L660-T664 WeakPolarHBondContact O-CB 3.36Å; L660-T664 PolarHBondContact O-N 2.94Å; L660-T664 PolarHBondContact O-OG1 3.27Å
661K80.6Confident75.1Confident146 Ų146109.1 Ų109.164%0.63555%0.55SS**Hα-helixtrans-61.2-40174.9-72.7-121.8-179176.90111.4I657 V658 T664 L665I657-K661 HydrophobicContact CG2-CG 4.32Å; I657-K661 WeakPolarHBondContact O-CB 3.17Å; I657-K661 VanDerWaalsContact O-CG 3.32Å; I657-K661 WeakPolarHBondContact O-CG 3.24Å; I657-K661 PolarHBondContact O-N 3.39Å; V658-K661 PolarHBondContact O-N 3.05Å; K661-T664 PolarHBondContact O-N 3.25Å; K661-L665 VanDerWaalsContact O-CB 3.3Å; K661-L665 WeakPolarHBondContact O-CB 3.27Å; K661-L665 WeakPolarHBondContact O-CG 3.23Å; K661-L665 PolarHBondContact O-N 2.66Å
662R76.7Confident73Confident167 Ų167112 Ų11263%0.6356%0.56SS**Hα-helixtrans-63.2-43.1172.7-172.2177.5-178.9-173.21111.8V658 F659 L660 T664 L666V658-R662 WeakPolarHBondContact O-CB 3.38Å; V658-R662 PolarHBondContact O-N 3.2Å; F659-R662 PolarHBondContact O-N 2.93Å; L660-R662 VanDerWaalsContact C-N 3.33Å; L660-R662 PolarHBondContact O-N 2.94Å; R662-T664 VanDerWaalsContact C-N 3.34Å; R662-L666 HydrophobicContact CG-CD1 4.23Å; R662-L666 WeakPolarHBondContact O-CB 3.24Å; R662-L666 WeakPolarHBondContact O-CD1 3.4Å; R662-L666 VanDerWaalsContact O-CG 3.27Å; R662-L666 WeakPolarHBondContact O-CG 3.46Å; R662-L666 PolarHBondContact O-N 2.99Å
663K70.8Confident70.7Confident116 Ų116115.4 Ų115.450%0.50457%0.57SS.*Hα-helixtrans-69.8-27.4176.7-167.4172.5-175.7176.10113F659 L660 R667F659-K663 VanDerWaalsContact O-CB 3.26Å; F659-K663 WeakPolarHBondContact O-CB 3.34Å; F659-K663 PolarHBondContact O-N 2.99Å; L660-K663 CarbonylContact O-C 3.6Å; L660-K663 PolarHBondContact O-N 3.5Å; K663-R667 WeakPolarHBondContact O-CB 3.47Å; K663-R667 WeakPolarHBondContact O-CG 3.44Å; K663-R667 PolarHBondContact O-N 3.48Å
664T68.4Low68.2Low68 Ų68120.5 Ų120.542%0.41759%0.586SS.*Hα-helixtrans-83.1-38.8175.1-60.40000111.8L660 K661 R662 R667 L668L660-T664 WeakPolarHBondContact O-CB 3.36Å; L660-T664 PolarHBondContact O-N 2.94Å; L660-T664 PolarHBondContact O-OG1 3.27Å; K661-T664 PolarHBondContact O-N 3.25Å; R662-T664 VanDerWaalsContact C-N 3.34Å; T664-R667 CarbonylContact O-C 3.47Å; T664-R667 PolarHBondContact O-N 2.84Å; T664-L668 HydrophobicContact CG2-CD1 4.25Å; T664-L668 WeakPolarHBondContact O-CB 3.24Å; T664-L668 WeakPolarHBondContact O-CG 3.11Å; T664-L668 PolarHBondContact O-N 3.26Å
665L61.6Low66.1Low95 Ų95124.8 Ų124.850%0.49761%0.608SS.*Hα-helixtrans-59.7-48168.2-86.8158.6000110.9K661 R667 L668 F669K661-L665 VanDerWaalsContact O-CB 3.3Å; K661-L665 WeakPolarHBondContact O-CB 3.27Å; K661-L665 WeakPolarHBondContact O-CG 3.23Å; K661-L665 PolarHBondContact O-N 2.66Å; L665-R667 VanDerWaalsContact C-N 3.34Å; L665-R667 PolarHBondContact O-N 3.38Å; L665-L668 PolarHBondContact O-N 3.47Å; L665-L668 VanDerWaalsContact O-N 3.17Å; L665-F669 HydrophobicContact CD2-CE2 4.29Å; L665-F669 WeakPolarHBondContact O-CD2 3.37Å; L665-F669 PolarHBondContact O-N 2.99Å
666L61.2Low63.8Low90 Ų90127.2 Ų127.247%0.47162%0.623SS.*Hα-helixtrans-57.8-45.3172.7-76.3164.1000111.3R662 L668 F669 F670R662-L666 HydrophobicContact CG-CD1 4.23Å; R662-L666 WeakPolarHBondContact O-CB 3.24Å; R662-L666 WeakPolarHBondContact O-CD1 3.4Å; R662-L666 VanDerWaalsContact O-CG 3.27Å; R662-L666 WeakPolarHBondContact O-CG 3.46Å; R662-L666 PolarHBondContact O-N 2.99Å; L666-L668 PolarHBondContact O-N 2.95Å; L666-F669 PolarHBondContact O-N 3.12Å; L666-F670 HydrophobicContact CD2-CE2 4.24Å; L666-F670 VanDerWaalsContact O-CD2 3.25Å; L666-F670 WeakPolarHBondContact O-CD2 3.37Å; L666-F670 PolarHBondContact O-N 2.85Å
667R60.4Low61.4Low155 Ų155131 Ų13159%0.58564%0.639SS**Hα-helixtrans-63-36.1175.2-84.8-171.1-80.6-171.80.2113.4K663 T664 L665 F670 S671K663-R667 WeakPolarHBondContact O-CB 3.47Å; K663-R667 WeakPolarHBondContact O-CG 3.44Å; K663-R667 PolarHBondContact O-N 3.48Å; T664-R667 CarbonylContact O-C 3.47Å; T664-R667 PolarHBondContact O-N 2.84Å; L665-R667 VanDerWaalsContact C-N 3.34Å; L665-R667 PolarHBondContact O-N 3.38Å; R667-F670 PolarHBondContact O-N 3.27Å; R667-S671 WeakPolarHBondContact O-CB 3.39Å; R667-S671 PolarHBondContact O-N 2.87Å
668L57.1Low58.8Low113 Ų113136.3 Ų136.359%0.59266%0.662SS**Hα-helixtrans-66.5-46.5174.9-77.2161.6000111.6T664 L665 L666 F670 S671 H672T664-L668 HydrophobicContact CG2-CD1 4.25Å; T664-L668 WeakPolarHBondContact O-CB 3.24Å; T664-L668 WeakPolarHBondContact O-CG 3.11Å; T664-L668 PolarHBondContact O-N 3.26Å; L665-L668 PolarHBondContact O-N 3.47Å; L665-L668 VanDerWaalsContact O-N 3.17Å; L666-L668 PolarHBondContact O-N 2.95Å; L668-F670 VanDerWaalsContact C-N 3.29Å; L668-F670 PolarHBondContact O-N 3.12Å; L668-S671 PolarHBondContact O-N 3.38Å; L668-H672 PolarHBondContact O-N 3.37Å
669F56.3Low56.4Low157 Ų157140.3 Ų140.369%0.68967%0.671SS**Hα-helixtrans-64.3-29.2176.1-85.7-74.2000113.5L665 L666L665-F669 HydrophobicContact CD2-CE2 4.29Å; L665-F669 WeakPolarHBondContact O-CD2 3.37Å; L665-F669 PolarHBondContact O-N 2.99Å; L666-F669 PolarHBondContact O-N 3.12Å
670F56.1Low54.1Low157 Ų157140.3 Ų140.369%0.68968%0.677SS**Hα-helixtrans-91.3-16.2175.3-78.1-70.2000114.9L666 R667 L668L666-F670 HydrophobicContact CD2-CE2 4.24Å; L666-F670 VanDerWaalsContact O-CD2 3.25Å; L666-F670 WeakPolarHBondContact O-CD2 3.37Å; L666-F670 PolarHBondContact O-N 2.85Å; R667-F670 PolarHBondContact O-N 3.27Å; L668-F670 VanDerWaalsContact C-N 3.29Å; L668-F670 PolarHBondContact O-N 3.12Å
671S51.3Low52Low92 Ų92147.9 Ų147.964%0.64370%0.699SS**Hα-helixtrans-78.9-28.9176.2-162.70000112.5R667 L668 K673R667-S671 WeakPolarHBondContact O-CB 3.39Å; R667-S671 PolarHBondContact O-N 2.87Å; L668-S671 PolarHBondContact O-N 3.38Å; S671-K673 PolarHBondContact O-N 2.75Å
672H47.3Very low49.5Very low173 Ų173149.4 Ų149.480%0.80171%0.706SS**THydrogen-bonded Turntrans-83.317.5-178.7-150.7-71.3000114.5L668L668-H672 PolarHBondContact O-N 3.37Å
673K43.7Very low47.2Very low185 Ų185146.6 Ų146.680%0.80471%0.71SS**THydrogen-bonded Turntrans-132.335.5177.8-76.5-163.3174.7-173.90113.9S671S671-K673 PolarHBondContact O-N 2.75Å
674K39.9Very low45.3Very low186 Ų186148.4 Ų148.481%0.80973%0.725SS**SBendtrans-133.452.5171.8-76.3-163.6174.5-1720114.1
675T44.7Very low43.5Very low137 Ų137152.4 Ų152.484%0.8474%0.742SS**SBendtrans-155.518.9163.217.20000115.7
676T38.2Very low42.3Very low138 Ų138153.8 Ų153.885%0.84775%0.75SS**SBendtrans-155.265.6171.940.90000113.8
677L39Very low41.3Very low161 Ų161155.5 Ų155.584%0.84377%0.767SS**  trans-168.245.8141.9-145.874.3000114.7
678E32.5Very low40Very low199 Ų199158.6 Ų158.693%0.9378%0.778SS**  trans-102.571.2162.8-133-178.8-157.500110.5
679K35Very low38.7Very low182 Ų182165 Ų16579%0.79180%0.795SS**  trans-167.8139156.9-108.4163.7-170.5177.90108.8
680L35.2Very low37.4Very low139 Ų139167 Ų16773%0.72880%0.803SS**  trans72.9125.8-169.8-48.7164.9000111.7
681R36.4Very low37.2Very low250 Ų250164.3 Ų164.394%0.94380%0.801SS**  cis53.353.613.6-137.8-178.9-163.2-177.76.2113.6
682K28.8Very low36Very low178 Ų178167.2 Ų167.277%0.77481%0.809SS**  trans-134.1126.5148.1-107-174.8176.2-177.70109.8
683C28.4Very low36Very low107 Ų107163.3 Ų163.372%0.72380%0.799SS**  trans46.7105.3160.8-62.60000121.6
684L30.9Very low35.3Very low154 Ų154163.9 Ų163.981%0.80680%0.803SS**  81.6130.1115.2-75.6165.4000122
685I30.6Very low34.5Very low152 Ų152166.1 Ų166.178%0.77981%0.806SS**  trans92.7101.6150.1-62154.1000118.7
686D36Very low34.5Very low125 Ų125164.4 Ų164.467%0.66880%0.797SS**  trans50.9131.6133.4-156.713.6000121.6
687P39.2Very low34Very low126 Ų126166.4 Ų166.482%0.81879%0.794SS**  trans-136.5132.6134.535.8-22.7000115
688R32.8Very low33.6Very low220 Ų220164.8 Ų164.883%0.8379%0.787SS**  trans-122.6125.1151.1-57.8-170.1-163.5-164.66.6111.2
689R31Very low33.4Very low248 Ų248163.8 Ų163.894%0.93678%0.784SS**  154.3129.4124.5-85.1173.5173.2165.5-1.6113.1
690K28.6Very low33.2Very low199 Ų199162 Ų16287%0.86578%0.782SS**  trans-85.8-177156.2-82.9-173.4177.9-178.20108.8
691P51.9Low33Very low100 Ų100163.6 Ų163.665%0.64979%0.79SS**  cis-138.7-179-47.438-21.8000113.4
692N25.8Very low32.6Very low152 Ų152154.2 Ų154.281%0.81377%0.771SS**  trans65.8-179.9148.2-102.319.4000117.5
693P47.2Very low32.7Very low91 Ų91155.7 Ų155.759%0.59178%0.778SS**  cis-140.8-171.6-19.632.5-10.7000116
694F28.8Very low32.8Very low198 Ų198158.3 Ų158.387%0.86878%0.784SS**  trans77.4148.6144-89.3-70.4000123.2
695W24.4Very low32.6Very low232 Ų232162 Ų16288%0.87979%0.787SS**  trans-67.4-170.5159.6-71.428.7000111.1
696P44.8Very low32.5Very low101 Ų101159.5 Ų159.566%0.65678%0.779SS**  cis-138.3-171-5.921.46.5000116
697F27.5Very low32.2Very low180 Ų180161 Ų16179%0.78978%0.782SS**  trans75.5124.2138.9-100.8-129.4000124.1
698N29.2Very low31.7Very low128 Ų128163.3 Ų163.368%0.68478%0.782SS**  trans32.9132.2130.2-61-8.1000122.7
699M29.1Very low31.4Very low178 Ų178161.1 Ų161.188%0.87778%0.783SS**  -154.6153.4108.1-145.1167.476.100114.2
700L31Very low31.3Very low143 Ų143156.5 Ų156.575%0.74978%0.783SS**  trans-43.1164.3-175.5-78.972.5000117.3
701I31.8Very low31.3Very low173 Ų173152 Ų15289%0.88778%0.783SS**  -155.7149.256.2-67.4156.2000109.3
702G28Very low30.1Very low54 Ų54150.7 Ų150.756%0.55779%0.787SS**  cis166.3178.6-0.800000111.6
703K30.8Very low30.3Very low209 Ų209151.6 Ų151.691%0.90979%0.786SS**  trans64.2135-175.5-57.2-176.9176.5-176.80113.9
704L28.7Very low29.3Very low162 Ų162153.1 Ų153.185%0.84879%0.789SS**  cis-163.7150.925.9-166.570.5000106.8
705W28.6Very low29.4Very low231 Ų231151.4 Ų151.488%0.87579%0.788SS**  trans-121.5157.1-178.9-96.395.3000111.4
706T27.9Very low29.5Very low100 Ų100151.7 Ų151.761%0.61379%0.789SS**  trans61145.7156.349.40000117.7
707E28.5Very low29.7Very low156 Ų156152 Ų15273%0.72979%0.791SS**  cis-162169.6-2.3-122.7164.8162.500111.9
708E28.5Very low29.7Very low175 Ų175150 Ų15082%0.81879%0.789SS**  trans61147.5147.5-73.2-172.913800124.6
709M27.1Very low29.7Very low174 Ų174148.8 Ų148.886%0.85779%0.79SS**  trans-97.8146.4163.6-52167.172.100108.6
710T29.1Very low29.6Very low151 Ų151143.3 Ų143.393%0.92678%0.779SS**  -170.7162.8129.917.10000113.6
711A27.9Very low29.5Very low105 Ų105144.8 Ų144.887%0.86878%0.78SS**  trans-57.8164.3-176.400000116.7
712G28Very low29.3Very low71 Ų71145.6 Ų145.673%0.73277%0.773SS**  trans15682153.500000117.8
713Q28.6Very low29.3Very low171 Ų171151.5 Ų151.580%0.79978%0.784SS**  trans52.9134.1138.1-91.6178.5-94.100124.4
714D27.5Very low29.1Very low123 Ų123146.4 Ų146.466%0.65877%0.774SS**  105.4138.9125.6-76.1-11.8000123.4
715I29.6Very low29.1Very low162 Ų162149.3 Ų149.383%0.83177%0.774SS**  trans83.7100.8157.4-63.1148.2000118.7
716W26.6Very low29Very low239 Ų239145.8 Ų145.891%0.90577%0.772SS**  trans-70.5176.4148.7-88.139.9000111.3
717P49.9Very low29.2Very low107 Ų107149.4 Ų149.470%0.69578%0.782SS**  cis-124-171.5-2.9216.2000111.2
718D27.1Very low29.7Very low139 Ų139147.9 Ų147.974%0.74379%0.786SS**  179.616665.7-170.130.7000113.3
719S29.5Very low29.8Very low101 Ų101147 Ų14771%0.70678%0.783SS**  trans17.6144.8159.661.50000121.8
720G27Very low30.3Very low64 Ų64144.5 Ų144.566%0.6678%0.78SS**  cis154.6148.1-200000113.1
721F28Very low30.4Very low174 Ų174142.5 Ų142.576%0.76377%0.768SS**  trans70137.9151-84.6-82.2000124.3
722Y28.7Very low30.5Very low189 Ų189142.3 Ų142.374%0.74176%0.76SS**  trans69.3149.4158.4-61.1-53.4000117.9
723K28Very low30.4Very low179 Ų179147.3 Ų147.378%0.77877%0.769SS**  cis-155.9137.53.6-126.9161.6-169.9173.60111.5
724S26.5Very low30.5Very low101 Ų101144.7 Ų144.771%0.70677%0.769SS**  43.3116.7126-153.10000122.5
725R28.3Very low30.7Very low223 Ų223146.1 Ų146.184%0.84278%0.782SS**  64.2116125.2-164.2179.9-162.2166.35.1120.1
726N27.5Very low30.6Very low158 Ų158141.3 Ų141.385%0.84577%0.773SS**  -163.2146119-100.2-16.9000114.2
727Q32.1Very low30.9Very low175 Ų175139.3 Ų139.382%0.81877%0.773SS**  trans-87163.5169.5-117.8174.60.600109.2
728P39.3Very low30.1Very low125 Ų125140.3 Ų140.381%0.81278%0.78SS**  -150.117772.737.3-15.9000117.5
729M29.6Very low30.2Very low155 Ų155138 Ų13876%0.76478%0.78SS**  trans-75.3164.6170.7-77.8-152.2-70.800113.7
730P38.3Very low30.6Very low123 Ų123140.7 Ų140.780%0.79979%0.785SS**  -131.6139.7100.128.4-13.2000112.7
731V29.6Very low30.9Very low109 Ų109143.4 Ų143.466%0.66179%0.792SS**  78.197.869.2178.90000115.5
732S31.6Very low31.2Very low100 Ų100140.8 Ų140.870%0.69979%0.792SS**  trans45.4135.3146.570.80000124
733L26.1Very low31.5Very low177 Ų177138.7 Ų138.793%0.92779%0.793SS**  trans-161.9137.5135.4-109.9152.3000111.5
734S30Very low31.6Very low115 Ų115136.1 Ų136.180%0.80479%0.794SS**  trans-115.2130.7-174.8-61.60000113.3
735V31.1Very low31.8Very low153 Ų153136.4 Ų136.493%0.92779%0.792SS**  trans-156.3144.8160-171.40000106.6
736G28Very low31.8Very low62 Ų62133.5 Ų133.564%0.63979%0.788SS**  cis168.2138-7.900000110
737H33.5Very low31.8Very low197 Ų197133.9 Ų133.991%0.91278%0.784SS**  trans-90148.1-176.8-88.580000113.4
738P33.1Very low31.9Very low128 Ų128134.7 Ų134.783%0.83179%0.788SS**  trans-125.2164.1141.122.4-3.6000112.6
739A29.4Very low31.4Very low90 Ų90140.4 Ų140.474%0.74479%0.793SS**  trans-120148.9-163.700000115.8
740L37.1Very low31.3Very low157 Ų157139.3 Ų139.382%0.82280%0.795SS**  trans53.7142.7146.9-67.3166.9000121.4
741P33.3Very low30.9Very low122 Ų122140.7 Ų140.779%0.79280%0.795SS**  -132.3173.299.715.26.6000114.6
742P34.2Very low30.8Very low118 Ų118140.2 Ų140.277%0.76679%0.794SS**  trans-101.8177.2-158.739.9-37.5000117.5
743L34.9Very low30.6Very low145 Ų145142.1 Ų142.176%0.75980%0.801SS**  trans-51.7160.4177.1-85.187.2000116.3T745L743-T745 HydrophobicContact CD2-CG2 4.33Å
744P29.8Very low30.7Very low125 Ų125142.2 Ų142.281%0.81280%0.797SS**  trans-104.1143.6130.929.3-17000112.6
745T31.4Very low30.6Very low108 Ų108141.5 Ų141.566%0.66379%0.792SS**  trans-95.1-175.4174.345.40000111.9L743L743-T745 HydrophobicContact CD2-CG2 4.33Å
746H28.7Very low30.4Very low162 Ų162139.6 Ų139.675%0.7579%0.785SS**  trans86.7135.7-173.2-64.5-106000114
747E26.1Very low30.5Very low165 Ų165142.8 Ų142.877%0.77179%0.792SS**  cis-151.815210.4-146156.8-122.100112.9R749E747-R749 PolarHBondContact O-N 3.05Å
748H35.6Very low30.3Very low192 Ų192138.1 Ų138.189%0.88978%0.782SS**  trans-66.5122.2170.2-81.2-61.3000110.5
749R27.5Very low30.2Very low245 Ų245138.1 Ų138.193%0.92578%0.782SS**  trans-114.9118.9164.6-147.7171.9-165.81625110.5E747E747-R749 PolarHBondContact O-N 3.05Å
750V28Very low30.3Very low133 Ų133137.9 Ų137.981%0.80678%0.78SS**PPolyproline II helixtrans-58.6135.6-176.8173.90000111.3
751L29.7Very low29.9Very low151 Ų151136.4 Ų136.479%0.79178%0.78SS**PPolyproline II helixtrans-63.8133168.8-112.784.2000110T753L751-T753 PolarHBondContact O-N 2.85Å
752P27.8Very low29.9Very low99 Ų99136.4 Ų136.464%0.64378%0.777SS**PPolyproline II helixtrans-67.7129165.928.9-32.1000109.8H754P752-H754 PolarHBondContact O-N 2.85Å; P752-H754 VanDerWaalsContact O-N 3.11Å
753T26.6Very low29.7Very low140 Ų140135.7 Ų135.786%0.85977%0.773SS**  trans-65.9104.2173.831.70000110.6L751 S755L751-T753 PolarHBondContact O-N 2.85Å; T753-S755 PolarHBondContact O-N 2.88Å; T753-S755 VanDerWaalsContact O-N 3.13Å
754H29.7Very low29.5Very low179 Ų179134.7 Ų134.783%0.82978%0.775SS**  trans-72.8105165.2-84.2-82.7000109.6P752 S756P752-H754 PolarHBondContact O-N 2.85Å; P752-H754 VanDerWaalsContact O-N 3.11Å; H754-S756 PolarHBondContact O-N 2.84Å
755S26.2Very low29.5Very low100 Ų100138.2 Ų138.270%0.69978%0.778SS**  trans-54.1127.8173.450.60000111.6T753 V757T753-S755 PolarHBondContact O-N 2.88Å; T753-S755 VanDerWaalsContact O-N 3.13Å; S755-V757 PolarHBondContact O-N 3.06Å
756S28.1Very low29.3Very low113 Ų113141.5 Ų141.579%0.7979%0.79SS**  trans-62.8105.2169.854.50000110.6H754 S758H754-S756 PolarHBondContact O-N 2.84Å; S756-S758 PolarHBondContact O-N 3.26Å
757V29.3Very low29.2Very low129 Ų129139.1 Ų139.178%0.78279%0.792SS**  trans-81.1109.5165.5178.30000107.5S755S755-V757 PolarHBondContact O-N 3.06Å
758S30.1Very low29.3Very low100 Ų100139.2 Ų139.270%0.69980%0.797SS**PPolyproline II helixtrans-60.4135.8171.8-52.30000110.1S756 A760S756-S758 PolarHBondContact O-N 3.26Å; S758-A760 PolarHBondContact O-N 3.31Å
759P31Very low28.9Very low127 Ų127135.8 Ų135.883%0.82579%0.792SS**PPolyproline II helixtrans-63.8135.2172.126.7-32.9000109.9
760A31.6Very low28.9Very low86 Ų86135.5 Ų135.571%0.71179%0.791SS**PPolyproline II helixtrans-65144178.500000111.1S758 V762S758-A760 PolarHBondContact O-N 3.31Å; A760-V762 PolarHBondContact O-N 3.36Å
761P29Very low28.8Very low126 Ų126139.1 Ų139.182%0.81880%0.795SS**PPolyproline II helixtrans-64.9127178.526.2-33.6000111
762V33.3Very low28.5Very low121 Ų121140.8 Ų140.873%0.73380%0.799SS**PPolyproline II helixtrans-65.1132174-177.80000108.9A760A760-V762 PolarHBondContact O-N 3.36Å
763P30Very low28.5Very low104 Ų104141.4 Ų141.468%0.67581%0.806SS**PPolyproline II helixtrans-65.7140.7178.125.5-32.5000111
764P29.3Very low28.4Very low123 Ų123142.2 Ų142.280%0.79980%0.804SS**PPolyproline II helixtrans-65.8136.7-179.326.7-34000111.3L766P764-L766 PolarHBondContact O-N 2.71Å
765F31Very low28.3Very low200 Ų200144.1 Ų144.188%0.87781%0.805SS**PPolyproline II helixtrans-59.1129.5176-85.2-93.4000111.3S767F765-S767 PolarHBondContact O-N 2.89Å; F765-S767 VanDerWaalsContact O-N 3.1Å
766L27Very low28.3Very low177 Ų177150.3 Ų150.393%0.92781%0.813SS**  trans-66106.2176.3-74163.8000110.6P764P764-L766 PolarHBondContact O-N 2.71Å
767S27.4Very low28.3Very low112 Ų112150.5 Ų150.578%0.78381%0.809SS**  trans-80.9128167.946.40000110.5F765F765-S767 PolarHBondContact O-N 2.89Å; F765-S767 VanDerWaalsContact O-N 3.1Å
768L28.2Very low28.2Very low167 Ų167151.2 Ų151.287%0.87481%0.809SS**  trans-67.2143.3174.9-78.4163.8000110.7R770L768-R770 PolarHBondContact O-N 3.18Å
769P26.1Very low28.2Very low120 Ų120155.3 Ų155.378%0.77982%0.817SS**  trans-74.2115.6-162.227.3-35.4000113.5K771P769-K771 PolarHBondContact O-N 2.84Å
770R27.6Very low27.9Very low239 Ų239156 Ų15690%0.90281%0.814SS**  trans-72.6108.1168.4-173.9176.4-176173.51.1109.6L768 Q772L768-R770 PolarHBondContact O-N 3.18Å; R770-Q772 PolarHBondContact O-N 2.75Å; R770-Q772 VanDerWaalsContact O-N 3.11Å
771K25.9Very low27.8Very low209 Ų209160.9 Ų160.991%0.90982%0.819SS**  trans-56.4115.5170.8-79-176174.5-179.70110P769P769-K771 PolarHBondContact O-N 2.84Å
772Q24.5Very low27.8Very low186 Ų186163.9 Ų163.987%0.86982%0.823SS**  trans-77.8123.8165.6-74175.3-26.400108.9R770R770-Q772 PolarHBondContact O-N 2.75Å; R770-Q772 VanDerWaalsContact O-N 3.11Å
773S26.1Very low27.7Very low111 Ų111167.7 Ų167.778%0.77683%0.829SS**  trans-100.5107.3163.4-172.90000108Y775S773-Y775 PolarHBondContact O-N 3.26Å
774L26.3Very low27.8Very low158 Ų158168.5 Ų168.583%0.82783%0.834SS**  trans-73.8108.9169.5-85.5155.7000108.9
775Y27Very low27.8Very low218 Ų218168 Ų16886%0.85583%0.833SS**  trans-141126.1150.3-96.7-76.5000110.2S773S773-Y775 PolarHBondContact O-N 3.26Å
776R25.2Very low27.8Very low230 Ų230164.1 Ų164.187%0.86883%0.828SS**  trans-115.9117.2179.6-176.5-172.7-167.4170.75.3106.4
777V27.9Very low28.2Very low117 Ų117161.9 Ų161.971%0.70983%0.825SS**  trans-139.5113.9171.7179.50000107.4
778D27.1Very low28.3Very low144 Ų144165.5 Ų165.577%0.7783%0.829SS**  trans-73136.9160.1-83.2-58.8000108.9
779Q30.3Very low28.6Very low187 Ų187167.5 Ų167.587%0.87483%0.831SS**  trans-159.5129.3151.3-117.8169.116.800111.7
780D26.3Very low28.9Very low141 Ų141167 Ų16775%0.75483%0.828SS**  trans-84.8165.1-177.4-79.7-55000114.1
781F29.4Very low29Very low188 Ų188163.8 Ų163.883%0.82583%0.828SS**  trans55.7107.8157.4-68.5-65.8000119.8
782E27Very low29.3Very low190 Ų190159.6 Ų159.689%0.88882%0.821SS**  176.7160.491.8-88.7-152.214000112
783K31.8Very low29.5Very low201 Ų201155.2 Ų155.287%0.87482%0.817SS**  trans-115.7115.5-172179.4-175.9-179.3179.30112.1
784P32.5Very low29.8Very low120 Ų120157.6 Ų157.678%0.77982%0.821SS**PPolyproline II helixtrans-86.5148.1171-7.225.5000113.2
785S30.1Very low30.5Very low112 Ų112155 Ų15578%0.78381%0.814SS**PPolyproline II helixtrans-78.7156.6174.2-63.50000112.8
786P31.1Very low30.6Very low119 Ų119153.2 Ų153.277%0.77382%0.818SS**PPolyproline II helixtrans-77.3143.8-171.630.5-36000114.1
787P33.8Very low30.8Very low131 Ų131145.7 Ų145.785%0.85181%0.812SS**PPolyproline II helixtrans-80.8150.1176.532.5-34.5000113.3
788Q30.1Very low30.9Very low188 Ų188151.9 Ų151.988%0.87982%0.823SS**PPolyproline II helixtrans-97.9116.6-179.1-67.5-177.5-9.600113.2
789K33.7Very low31Very low208 Ų208150 Ų15090%0.90482%0.821SS**  trans63.4161.9154.7-84.5-167.3173.3-178.30119.1
790P32.3Very low30.9Very low110 Ų110146.8 Ų146.871%0.71482%0.819SS**  trans-111.8166.5-148.141.4-34.9000115.2
791L30.9Very low31.1Very low172 Ų172151.3 Ų151.390%0.90183%0.825SS**  trans-130.4157.1161.3-80.9175.8000110.5
792P31.8Very low31.2Very low120 Ų120150.9 Ų150.978%0.77983%0.831SS**  trans-92.2167.9-150.136.1-37.8000115
793A28Very low31.2Very low95 Ų95145 Ų14579%0.78582%0.821SS**  trans-88.6144.317000000111.8
794D33.3Very low31.2Very low160 Ų160146.8 Ų146.886%0.85682%0.824SS**  trans-153.6156.2134.6-125.4-0000109.9
795P40Very low30.9Very low103 Ų103145.9 Ų145.967%0.66982%0.821SS**  trans-103.5-166-162.341.6-39000114.6
796L29.4Very low30.9Very low182 Ų182148.4 Ų148.495%0.95382%0.824SS**  trans97.3129.8-177.6-55.9166000113.1
797G29.5Very low30.9Very low71 Ų71148.6 Ų148.673%0.73282%0.823SS**  cis165.8147.7-800000112.7
798R29.6Very low31.9Very low248 Ų248147.5 Ų147.594%0.93682%0.815SS**  trans68.6113.7166-78.1-177.7169.2174.9-2.6121.1
799S29.7Very low31.9Very low105 Ų105144.3 Ų144.373%0.73481%0.814SS**  51.7107.4110.8-163.90000119
800S28.8Very low31.7Very low118 Ų118137.4 Ų137.483%0.82580%0.802SS**  trans-74.3129.8159.741.80000112.3
801R31.2Very low31.6Very low236 Ų236140.3 Ų140.389%0.89181%0.811SS**  trans-141145.1149.5-82.4-162.3176.1-165.4-0.5109.5
802L30.6Very low31.5Very low180 Ų180139.8 Ų139.894%0.94280%0.803SS**  trans-64.8154.9-177.9-71.468.1000112
803G27.7Very low31.6Very low66 Ų66140.8 Ų140.868%0.6880%0.8SS**  trans16291.6154.300000117.3
804Y30.3Very low32.7Very low238 Ų238141.9 Ų141.993%0.93380%0.799SS**  trans65.6131.8151.6-77.8-90.1000122.1
805S27.4Very low32.6Very low102 Ų102137.4 Ų137.471%0.71379%0.791SS**  trans-66.4157.4168.2-42.40000113.2
806I30.1Very low32.3Very low165 Ų165139.5 Ų139.585%0.84680%0.802SS**  -168.8146.9109.2-91.8152.9000110.7
807T31.4Very low32.4Very low123 Ų123134.3 Ų134.376%0.75579%0.793SS**  trans-80.3-172.4-177.439.20000113.5
808P54Low32.5Very low107 Ų107135.6 Ų135.670%0.69580%0.797SS**  cis-137.3-156.3-47.638.9-20.6000112.1
809S30.3Very low32.8Very low122 Ų122131.5 Ų131.585%0.85379%0.792SS**  trans92.3136162.6-440000116.4
810G30.3Very low33.3Very low63 Ų63131.9 Ų131.965%0.64979%0.791SS**  cis167.7156.7-8.900000113.6
811L29Very low33.6Very low171 Ų171132.9 Ų132.990%0.89579%0.793SS**  trans65.2169.7164.7-76.468.5000119.3
812H28.3Very low33.9Very low160 Ų160127.3 Ų127.374%0.74179%0.787SS**  -176137.7-64.1-123.2-37.6000111.7
813I35.5Very low34.2Very low141 Ų141126.2 Ų126.272%0.72378%0.78SS**  trans77.2162.7152.6-39.9152000113.4
814P49.9Very low34.7Very low118 Ų118128.5 Ų128.577%0.76678%0.783SS**  -143.1-175.3-76.946.6-29.4000117.2
815G31.7Very low35.1Very low66 Ų66126.9 Ų126.968%0.6878%0.781SS**  trans88.3159.1149.500000117.8
816T33.9Very low35.8Very low147 Ų147128.4 Ų128.490%0.90279%0.785SS**  cis-168.9144-6.6150000110.2
817G31.7Very low36.5Very low73 Ų73126 Ų12675%0.75378%0.781SS**  trans79.5113.9164.900000117
818A31.5Very low37.1Very low99 Ų99123.1 Ų123.182%0.81878%0.776SS**  72.5137.676.300000113.2
819I36.4Very low37Very low162 Ų162124.1 Ų124.183%0.83178%0.782SS**  cis-142.5-154.524-30.5176.2000111.2
820P39.5Very low38Very low112 Ų112123.9 Ų123.973%0.72778%0.777SS**  -116.8162.1-122.541.8-24.9000118
821V34.2Very low38.8Very low140 Ų140126.5 Ų126.585%0.84878%0.783SS**  trans-138.7144.5160.3177.10000109.6
822P37.4Very low39.5Very low118 Ų118124 Ų12477%0.76678%0.78SS**PPolyproline II helixtrans-81.8152.3-160.6-13.130.3000116.1
823I38Very low40.2Very low158 Ų158123.8 Ų123.881%0.8178%0.782SS**PPolyproline II helixtrans-73.7126.6173.1-61.2163.1000110.4K825I823-K825 PolarHBondContact O-N 3.48Å
824P37.6Very low40.5Very low114 Ų114122.6 Ų122.674%0.7478%0.784SS**PPolyproline II helixtrans-65.7125166.6-19.232.7000110.8V826P824-V826 PolarHBondContact O-N 3.4Å
825K39.8Very low40.5Very low203 Ų203124.8 Ų124.888%0.88379%0.788SS**PPolyproline II helixtrans-67.1125.9174.3-70.4179.4177.61780110.2I823I823-K825 PolarHBondContact O-N 3.48Å
826V41.2Very low41.2Very low134 Ų134127.2 Ų127.281%0.81279%0.792SS**PPolyproline II helixtrans-68128.9166.8179.60000108.8P824P824-V826 PolarHBondContact O-N 3.4Å
827P44.3Very low41.8Very low116 Ų116128.6 Ų128.675%0.75379%0.794SS**PPolyproline II helixtrans-65.4133.6174.7-20.833.3000111.7
828G45Very low42.1Very low62 Ų62136.4 Ų136.464%0.63980%0.801SS**PPolyproline II helixtrans-70.9161.1167.500000111.9
829P50.8Low42.7Very low127 Ų127137.3 Ų137.383%0.82580%0.799SS**PPolyproline II helixtrans-63.5147.9177.227.4-34.5000111.7
830P52.8Low43.1Very low117 Ų117136 Ų13676%0.7680%0.798SS**PPolyproline II helixtrans-70154.3-177.129.1-35.5000112.7
831P46.8Very low43.4Very low119 Ų119136.2 Ų136.277%0.77380%0.799SS**PPolyproline II helixtrans-69.7148.5178.229.7-35.2000112.2I833P831-I833 PolarHBondContact O-N 3.03Å
832S43.3Very low43.7Very low119 Ų119134.2 Ų134.283%0.83280%0.797SS**PPolyproline II helixtrans-64.4119.6173.652.10000111.7
833I43.9Very low43.9Very low154 Ų154136.5 Ų136.579%0.7980%0.802SS**PPolyproline II helixtrans-77.5130.4171.8-61175.5000108.8P831P831-I833 PolarHBondContact O-N 3.03Å
834P40.2Very low44.1Very low117 Ų117134.7 Ų134.776%0.7680%0.801SS**PPolyproline II helixtrans-72.2137.4178.229.1-34.2000111.9
835L50.4Low44.1Very low163 Ų163138.8 Ų138.885%0.85380%0.803SS**PPolyproline II helixtrans-72.4143.5172-79159.2000110.9
836P47.3Very low43.9Very low117 Ų117140.4 Ų140.476%0.7680%0.803SS**PPolyproline II helixtrans-72.2139.3178.529-34.1000112.2R838P836-R838 PolarHBondContact O-N 3.38Å
837N45.1Very low43.8Very low177 Ų177138.5 Ų138.595%0.94779%0.794SS**PPolyproline II helixtrans-57.3125.7174.2-85.2-22.9000111.5
838R39.8Very low43.5Very low236 Ų236138.1 Ų138.189%0.89179%0.791SS**  trans-116142.8165.3-148173.1-167.7-165.53.5108.9P836P836-R838 PolarHBondContact O-N 3.38Å
839P42.3Very low43.3Very low119 Ų119145 Ų14577%0.77380%0.804SS**PPolyproline II helixtrans-67.7151.8-164-22.434.8000114.6
840V44.7Very low42.5Very low135 Ų135146.5 Ų146.582%0.81881%0.805SS**PPolyproline II helixtrans-61.5131.4171.9-177.80000109.7
841P46.6Very low41.7Very low116 Ų116149 Ų14975%0.75381%0.806SS**PPolyproline II helixtrans-62136.2172.9-21.433.1000111.5L843P841-L843 PolarHBondContact O-N 3.33Å
842A40Very low41.3Very low98 Ų98150.1 Ų150.181%0.8181%0.806SS**PPolyproline II helixtrans-62.9129.7173.300000110.5
843L42.1Very low40.8Very low165 Ų165154.4 Ų154.486%0.86483%0.833SS**PPolyproline II helixtrans-59.6131.6169.9-80.7158.7000109.7P841 Y845P841-L843 PolarHBondContact O-N 3.33Å; L843-Y845 PolarHBondContact O-N 3.4Å
844P41.9Very low40.7Very low120 Ų120154.4 Ų154.478%0.77984%0.835SS**PPolyproline II helixtrans-65124.2171.525.9-31.9000109.8R846P844-R846 PolarHBondContact O-N 3.34Å
845Y37.1Very low40.7Very low200 Ų200156.4 Ų156.478%0.78484%0.839SS**PPolyproline II helixtrans-54.9120.5177.8179.1-94.5000111.2L843 P847L843-Y845 PolarHBondContact O-N 3.4Å; Y845-P847 HydrophobicContact CE1-CB 4.22Å; Y845-P847 VanDerWaalsContact O-CD 3.28Å; Y845-P847 WeakPolarHBondContact O-CD 3.26Å
846R36.4Very low40.2Very low238 Ų238156 Ų15690%0.89884%0.838SS**  trans-83.6112.8165.7-90.1-172.3179.2179.31.4109P844P844-R846 PolarHBondContact O-N 3.34Å
847P39.6Very low39.8Very low93 Ų93158.3 Ų158.360%0.60484%0.843SS**PPolyproline II helixtrans-65.5152.316129.4-33.1000109.9Y845Y845-P847 HydrophobicContact CE1-CB 4.22Å; Y845-P847 VanDerWaalsContact O-CD 3.28Å; Y845-P847 WeakPolarHBondContact O-CD 3.26Å
848P36.7Very low39.4Very low109 Ų109157.1 Ų157.171%0.70884%0.837SS**PPolyproline II helixtrans-69.6154.4-176.828.8-35000112.4N850P848-N850 PolarHBondContact O-N 3.41Å
849K41.5Very low39.4Very low207 Ų207151.9 Ų151.990%0.983%0.833SS**PPolyproline II helixtrans-62126.5167.5-71.7-179.7171.9-174.50109.4
850N33.6Very low39.2Very low157 Ų157154.2 Ų154.284%0.8484%0.837SS**  trans-108.4157.2154.3-91.12000109.7P848P848-N850 PolarHBondContact O-N 3.41Å
851Q35.8Very low38.8Very low169 Ų169155.7 Ų155.779%0.7984%0.839SS**  trans-87.3171.1-172.8-66.3162.7-106.200112.9
852D39.5Very low38.1Very low144 Ų144159 Ų15977%0.7785%0.846SS**  trans82.7143.9154.6-54.5-31.2000120.2
853C33.4Very low38Very low208 Ų208164.5 Ų164.5100%1.40585%0.849SS**  trans73.70-176.9-630000116.5

Retrieved 853 of 853 residues in 410.7 ms (Link to these results)

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