A0A061HVE1_CRIGR Loading...

Amelogenin, X isoform-like isoform 1

AlphaFold DB , UniProt , Accession A0A061HVE1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100761271, Length 219 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
1M58Low70.5Confident199 Ų199116.3 Ų116.398%0.9862%0.623SS**  0-47.20-59.5-52-166.700112.8T3M1-T3 PolarHBondContact O-N 3.19Å
2G59.4Low70.5Confident47 Ų47110.1 Ų110.149%0.48561%0.608SS.*Hα-helixtrans-62.7-31.5-17600000116.5W4 I5 L6G2-W4 VanDerWaalsContact C-N 3.32Å; G2-W4 PolarHBondContact O-N 3.23Å; G2-I5 PolarHBondContact O-N 3.22Å; G2-L6 PolarHBondContact O-N 3.09Å
3T66.6Low70.1Confident112 Ų112106.8 Ų106.869%0.68760%0.603SS**Hα-helixtrans-65.8-32-176.7-27.20000113.4M1 L6 F7M1-T3 PolarHBondContact O-N 3.19Å; T3-L6 PolarHBondContact O-N 3.06Å; T3-F7 PolarHBondContact O-N 3.41Å; T3-F7 VanDerWaalsContact O-N 3.08Å
4W72.2Confident69.3Low201 Ų201103.1 Ų103.176%0.76159%0.593SS**Hα-helixtrans-71.1-32.4177.6-72.797.7000112.7G2 F7 A8G2-W4 VanDerWaalsContact C-N 3.32Å; G2-W4 PolarHBondContact O-N 3.23Å; W4-F7 PolarHBondContact O-N 3.17Å; W4-A8 WeakPolarHBondContact O-CB 3.48Å; W4-A8 PolarHBondContact O-N 3.49Å
5I72.4Confident68.5Low106 Ų106106.7 Ų106.754%0.54460%0.6SS.*Hα-helixtrans-69.1-42.5175.9-72.3147.9000110.2G2 F7 A8 C9G2-I5 PolarHBondContact O-N 3.22Å; I5-F7 VanDerWaalsContact C-N 3.33Å; I5-F7 PolarHBondContact O-N 3.08Å; I5-A8 PolarHBondContact O-N 3.13Å; I5-C9 VanDerWaalsContact O-CB 3.23Å; I5-C9 WeakPolarHBondContact O-CB 3.16Å; I5-C9 PolarHBondContact O-N 3.33Å
6L72.4Confident67.7Low118 Ų118102.7 Ų102.762%0.61858%0.584SS**Hα-helixtrans-63.7-40.7175.7-64175.8000111.4G2 T3 C9 L10G2-L6 PolarHBondContact O-N 3.09Å; T3-L6 PolarHBondContact O-N 3.06Å; L6-C9 PolarHBondContact O-N 2.98Å; L6-L10 WeakPolarHBondContact O-CB 3.38Å; L6-L10 PolarHBondContact O-N 3.48Å
7F74Confident66.6Low134 Ų134105.5 Ų105.559%0.58859%0.593SS**Hα-helixtrans-64.6-45176.2-172.3-97.8000112.4T3 W4 I5 C9 L10 L11T3-F7 PolarHBondContact O-N 3.41Å; T3-F7 VanDerWaalsContact O-N 3.08Å; W4-F7 PolarHBondContact O-N 3.17Å; I5-F7 VanDerWaalsContact C-N 3.33Å; I5-F7 PolarHBondContact O-N 3.08Å; F7-C9 VanDerWaalsContact C-N 3.3Å; F7-C9 PolarHBondContact O-N 3.33Å; F7-L10 PolarHBondContact O-N 3.11Å; F7-L11 HydrophobicContact CE1-CD2 4.48Å; F7-L11 WeakPolarHBondContact O-CB 3.3Å; F7-L11 PolarHBondContact O-N 3.2Å
8A74.8Confident65.9Low55 Ų55104.6 Ų104.646%0.45559%0.593SS.*Hα-helixtrans-63.1-37.2174.800000112.2W4 I5 L11 G12W4-A8 WeakPolarHBondContact O-CB 3.48Å; W4-A8 PolarHBondContact O-N 3.49Å; I5-A8 PolarHBondContact O-N 3.13Å; A8-L11 PolarHBondContact O-N 3.37Å; A8-G12 PolarHBondContact O-N 2.81Å
9C73.4Confident65.4Low88 Ų88107.4 Ų107.460%0.59561%0.605SS**Hα-helixtrans-67.3-42.2176.8-160.20000111.6I5 L6 F7 G12 A13I5-C9 VanDerWaalsContact O-CB 3.23Å; I5-C9 WeakPolarHBondContact O-CB 3.16Å; I5-C9 PolarHBondContact O-N 3.33Å; L6-C9 PolarHBondContact O-N 2.98Å; F7-C9 VanDerWaalsContact C-N 3.3Å; F7-C9 PolarHBondContact O-N 3.33Å; C9-G12 PolarHBondContact O-N 2.73Å; C9-A13 WeakPolarHBondContact O-CB 3.36Å; C9-A13 PolarHBondContact O-N 3.13Å
10L74.1Confident64.7Low131 Ų131107.5 Ų107.569%0.68661%0.61SS**Hα-helixtrans-67.5-38.1176.8-130.5119.3000111.8L6 F7 A13 A14L6-L10 WeakPolarHBondContact O-CB 3.38Å; L6-L10 PolarHBondContact O-N 3.48Å; F7-L10 PolarHBondContact O-N 3.11Å; L10-A13 PolarHBondContact O-N 3.21Å; L10-A14 WeakPolarHBondContact O-CB 3.46Å; L10-A14 PolarHBondContact O-N 3.01Å
11L77.8Confident64Low88 Ų88107.8 Ų107.846%0.46162%0.616SS.*Hα-helixtrans-69-41.2176.7-162.665.6000111.2F7 A8 A14 F15F7-L11 HydrophobicContact CE1-CD2 4.48Å; F7-L11 WeakPolarHBondContact O-CB 3.3Å; F7-L11 PolarHBondContact O-N 3.2Å; A8-L11 PolarHBondContact O-N 3.37Å; L11-A14 PolarHBondContact O-N 3.19Å; L11-F15 HydrophobicContact CD1-CD2 4.42Å; L11-F15 HydrophobicContact CD1-CE2 4.16Å; L11-F15 HydrophobicContact CG-CD2 4.35Å; L11-F15 HydrophobicContact CG-CE2 4.37Å; L11-F15 WeakPolarHBondContact O-CD2 3.49Å; L11-F15 PolarHBondContact O-N 3.18Å; L11-F15 VanDerWaalsContact O-N 3.12Å
12G71.3Confident63.6Low42 Ų42105.7 Ų105.743%0.43360%0.604SS.*Hα-helixtrans-61.4-42.3171.400000112.6A8 C9 A14 F15 A16A8-G12 PolarHBondContact O-N 2.81Å; C9-G12 PolarHBondContact O-N 2.73Å; G12-A14 VanDerWaalsContact C-N 3.33Å; G12-A14 PolarHBondContact O-N 2.73Å; G12-F15 PolarHBondContact O-N 3.01Å; G12-A16 WeakPolarHBondContact O-CB 3.25Å; G12-A16 PolarHBondContact O-N 2.87Å
13A64.9Low63.3Low67 Ų67109.8 Ų109.855%0.55462%0.622SS**Hα-helixtrans-67.3-31.8176.900000113.2C9 L10C9-A13 WeakPolarHBondContact O-CB 3.36Å; C9-A13 PolarHBondContact O-N 3.13Å; L10-A13 PolarHBondContact O-N 3.21Å
14A59.7Low62.7Low56 Ų56108 Ų10846%0.46363%0.625SS.*Hα-helixtrans-73.7-33.8177.100000112.9L10 L11 G12L10-A14 WeakPolarHBondContact O-CB 3.46Å; L10-A14 PolarHBondContact O-N 3.01Å; L11-A14 PolarHBondContact O-N 3.19Å; G12-A14 VanDerWaalsContact C-N 3.33Å; G12-A14 PolarHBondContact O-N 2.73Å
15F57.4Low61.6Low157 Ų157102.5 Ų102.569%0.68962%0.618SS**Hα-helixtrans-79.5-22.6173-85.4-86000113L11 G12 M17L11-F15 HydrophobicContact CD1-CD2 4.42Å; L11-F15 HydrophobicContact CD1-CE2 4.16Å; L11-F15 HydrophobicContact CG-CD2 4.35Å; L11-F15 HydrophobicContact CG-CE2 4.37Å; L11-F15 WeakPolarHBondContact O-CD2 3.49Å; L11-F15 PolarHBondContact O-N 3.18Å; L11-F15 VanDerWaalsContact O-N 3.12Å; G12-F15 PolarHBondContact O-N 3.01Å; F15-M17 PolarHBondContact O-N 3.33Å; F15-M17 VanDerWaalsContact O-N 3.16Å
16A54.6Low60.6Low42 Ų42102.1 Ų102.135%0.34762%0.622SS.*THydrogen-bonded Turntrans-7616.4168.700000113.7G12 P18G12-A16 WeakPolarHBondContact O-CB 3.25Å; G12-A16 PolarHBondContact O-N 2.87Å; A16-P18 WeakPolarHBondContact O-CD 3.2Å
17M49.5Very low59.7Low150 Ų150100 Ų10074%0.73963%0.628SS**  trans-66.3113.4162.5-100.4-158.8-93.700107.5F15 L19F15-M17 PolarHBondContact O-N 3.33Å; F15-M17 VanDerWaalsContact O-N 3.16Å; M17-L19 PolarHBondContact O-N 3.23Å; M17-L19 VanDerWaalsContact O-N 3.1Å
18P54.3Low58.5Low90 Ų90103.5 Ų103.558%0.58464%0.639SS**  trans-62.8123.317527.9-30.4000106.3A16 I29A16-P18 WeakPolarHBondContact O-CD 3.2Å; P18-I29 HydrophobicContact CB-CG2 4.38Å
19L56Low57.6Low158 Ų158104.8 Ų104.883%0.82764%0.638SS**  trans-42.3137.4162-84.7144.6000107.9M17M17-L19 PolarHBondContact O-N 3.23Å; M17-L19 VanDerWaalsContact O-N 3.1Å
20P50.4Low56.4Low109 Ų109105.4 Ų105.471%0.70864%0.635SS**  trans-50131.2-177.520.4-31.6000108.3H22P20-H22 PolarHBondContact O-N 3.2Å
21P51.8Low55.4Low114 Ų114104.3 Ų104.374%0.7463%0.629SS**  trans-55.9115.4-172.221.2-31.7000108.2
22H48.2Very low54.1Low155 Ų155103.7 Ų103.772%0.71863%0.633SS**  trans-60.6133.6171.2-157.6-67.1000106.4P20 G24 S25P20-H22 PolarHBondContact O-N 3.2Å; H22-G24 PolarHBondContact O-N 3.06Å; H22-S25 PolarHBondContact O-N 2.68Å
23P53Low53Low133 Ų133110 Ų11086%0.86465%0.645SS**THydrogen-bonded Turntrans-7141.6-170.226.4-36.2000114.7
24G54.8Low52.6Low73 Ų73111 Ų11175%0.75364%0.637SS**THydrogen-bonded Turntrans-164.412.8-178.300000115.7H22H22-G24 PolarHBondContact O-N 3.06Å
25S48.9Very low52.5Low87 Ų87112.2 Ų112.261%0.60864%0.639SS**SBendtrans-140.7128.3173.7-151.30000111H22 G27H22-S25 PolarHBondContact O-N 2.68Å; S25-G27 PolarHBondContact O-N 3.46Å
26P51.5Low52.6Low98 Ų98109.7 Ų109.764%0.63663%0.632SS**  trans-62.9123.5173.926.2-30.5000108Y28P26-Y28 HydrophobicContact CB-CD2 4.28Å; P26-Y28 HydrophobicContact CB-CE2 4.21Å; P26-Y28 HydrophobicContact CG-CD2 4.37Å; P26-Y28 HydrophobicContact CG-CE2 4.42Å; P26-Y28 PolarHBondContact O-N 3.44Å
27G53.7Low53Low73 Ų73112.1 Ų112.175%0.75364%0.643SS**  trans-63.670.8-172.300000114.6S25 I29S25-G27 PolarHBondContact O-N 3.46Å; G27-I29 PolarHBondContact O-N 3.26Å
28Y48.3Very low53.4Low207 Ų207108.2 Ų108.281%0.81263%0.629SS**  trans-86.885161.7-70.9-81.5000107.7P26 N30P26-Y28 HydrophobicContact CB-CD2 4.28Å; P26-Y28 HydrophobicContact CB-CE2 4.21Å; P26-Y28 HydrophobicContact CG-CD2 4.37Å; P26-Y28 HydrophobicContact CG-CE2 4.42Å; P26-Y28 PolarHBondContact O-N 3.44Å; Y28-N30 PolarHBondContact O-N 3.16Å
29I56.1Low54.1Low82 Ų82108 Ų10842%0.42162%0.622SS.*  trans-55.1124.7155.652.1166000106.6P18 G27 L31P18-I29 HydrophobicContact CB-CG2 4.38Å; G27-I29 PolarHBondContact O-N 3.26Å; I29-L31 HydrophobicContact CD1-CD1 4.49Å; I29-L31 HydrophobicContact CD1-CG 4.26Å; I29-L31 HydrophobicContact CG1-CD1 4.29Å; I29-L31 HydrophobicContact CG1-CG 4.3Å; I29-L31 PolarHBondContact O-N 3.14Å
30N47.7Very low54.4Low101 Ų101106.6 Ų106.654%0.5461%0.61SS.*  trans-74.575.6-177.4-141-51.7000107.5Y28 S32 Y33 E34Y28-N30 PolarHBondContact O-N 3.16Å; N30-S32 PolarHBondContact O-N 3.47Å; N30-Y33 PolarHBondContact O-N 2.88Å; N30-E34 PolarHBondContact O-N 3.24Å
31L54.5Low55.2Low109 Ų109108.7 Ų108.757%0.57160%0.603SS**Hα-helixtrans-49.5-28177.3-80.2134.5000111.1I29 Y33 V35I29-L31 HydrophobicContact CD1-CD1 4.49Å; I29-L31 HydrophobicContact CD1-CG 4.26Å; I29-L31 HydrophobicContact CG1-CD1 4.29Å; I29-L31 HydrophobicContact CG1-CG 4.3Å; I29-L31 PolarHBondContact O-N 3.14Å; L31-Y33 PolarHBondContact O-N 2.7Å; L31-V35 WeakPolarHBondContact O-CB 3.23Å; L31-V35 VanDerWaalsContact O-CG2 3.26Å; L31-V35 WeakPolarHBondContact O-CG2 3.28Å; L31-V35 PolarHBondContact O-N 2.81Å
32S49.1Very low55.9Low75 Ų75109.1 Ų109.152%0.52459%0.591SS.*Hα-helixtrans-60.1-39.8174.7-52.40000113.3N30 L36N30-S32 PolarHBondContact O-N 3.47Å; S32-L36 VanDerWaalsContact O-CB 3.25Å; S32-L36 WeakPolarHBondContact O-CB 3.49Å; S32-L36 WeakPolarHBondContact O-CD1 3.34Å; S32-L36 PolarHBondContact O-N 3.34Å
33Y49.3Very low56.6Low175 Ų175105.6 Ų105.669%0.68658%0.575SS**Hα-helixtrans-81-38.1178-89.9-86.8000112.7N30 L31 V35 T37N30-Y33 PolarHBondContact O-N 2.88Å; L31-Y33 PolarHBondContact O-N 2.7Å; Y33-V35 VanDerWaalsContact C-N 3.35Å; Y33-V35 PolarHBondContact O-N 2.94Å; Y33-T37 PolarHBondContact O-N 3.49Å; Y33-T37 PolarHBondContact O-OG1 3.42Å
34E55.8Low57.3Low86 Ų86103.5 Ų103.540%0.40256%0.563SS.*Hα-helixtrans-71.1-26.1179.6-83.4-154.6133.500113.7N30 P38N30-E34 PolarHBondContact O-N 3.24Å; E34-P38 WeakPolarHBondContact O-CD 3.41Å; E34-P38 WeakPolarHBondContact O-CG 2.85Å
35V57.8Low57.8Low82 Ų82104 Ų10450%0.49755%0.547SS..Hα-helixtrans-92.1-35.8176.5-178.50000111.7L31 Y33 T37 P38 L39L31-V35 WeakPolarHBondContact O-CB 3.23Å; L31-V35 VanDerWaalsContact O-CG2 3.26Å; L31-V35 WeakPolarHBondContact O-CG2 3.28Å; L31-V35 PolarHBondContact O-N 2.81Å; Y33-V35 VanDerWaalsContact C-N 3.35Å; Y33-V35 PolarHBondContact O-N 2.94Å; V35-T37 VanDerWaalsContact C-N 3.32Å; V35-T37 PolarHBondContact O-N 2.92Å; V35-P38 WeakPolarHBondContact O-CD 3.03Å; V35-L39 WeakPolarHBondContact O-CB 3.37Å; V35-L39 PolarHBondContact O-N 3.45Å
36L59.5Low58.5Low104 Ų104104.3 Ų104.355%0.54554%0.541SS..Hα-helixtrans-64.5-37.1179.1-10072.5000112.3S32 K40S32-L36 VanDerWaalsContact O-CB 3.25Å; S32-L36 WeakPolarHBondContact O-CB 3.49Å; S32-L36 WeakPolarHBondContact O-CD1 3.34Å; S32-L36 PolarHBondContact O-N 3.34Å; L36-K40 VanDerWaalsContact O-CB 3.23Å; L36-K40 WeakPolarHBondContact O-CB 3.44Å; L36-K40 WeakPolarHBondContact O-CG 3.16Å; L36-K40 PolarHBondContact O-N 3.23Å
37T62.4Low58.8Low93 Ų93108.8 Ų108.857%0.57155%0.545SS*.Hα-helixtrans-63.6-55.2-177.7-53.80000112.6Y33 V35 K40 W41Y33-T37 PolarHBondContact O-N 3.49Å; Y33-T37 PolarHBondContact O-OG1 3.42Å; V35-T37 VanDerWaalsContact C-N 3.32Å; V35-T37 PolarHBondContact O-N 2.92Å; T37-K40 PolarHBondContact O-N 3.1Å; T37-W41 WeakPolarHBondContact O-CB 3.25Å; T37-W41 PolarHBondContact O-N 2.95Å
38P58.8Low58.4Low69 Ų69112 Ų11245%0.44854%0.541SS..Hα-helixtrans-70.5-30.3176.126-32000112.4E34 V35 W41 Y42E34-P38 WeakPolarHBondContact O-CD 3.41Å; E34-P38 WeakPolarHBondContact O-CG 2.85Å; V35-P38 WeakPolarHBondContact O-CD 3.03Å; P38-W41 PolarHBondContact O-N 2.89Å; P38-Y42 WeakPolarHBondContact O-CB 3.27Å; P38-Y42 PolarHBondContact O-N 2.95Å
39L67.9Low58.6Low86 Ų86107.6 Ų107.645%0.4554%0.537SS..Hα-helixtrans-66.6-40.7175.2-176.563.5000111.5V35 Y42 Q43V35-L39 WeakPolarHBondContact O-CB 3.37Å; V35-L39 PolarHBondContact O-N 3.45Å; L39-Y42 PolarHBondContact O-N 2.85Å; L39-Q43 WeakPolarHBondContact O-CB 3.26Å; L39-Q43 VanDerWaalsContact O-CG 3.28Å; L39-Q43 WeakPolarHBondContact O-CG 3.37Å; L39-Q43 PolarHBondContact O-N 3.11Å
40K63Low57.8Low128 Ų128113 Ų11356%0.55755%0.554SS**Hα-helixtrans-66.9-41.2174.6-76.7-73.1149.2-162.60111.8L36 T37 Q43 S44L36-K40 VanDerWaalsContact O-CB 3.23Å; L36-K40 WeakPolarHBondContact O-CB 3.44Å; L36-K40 WeakPolarHBondContact O-CG 3.16Å; L36-K40 PolarHBondContact O-N 3.23Å; T37-K40 PolarHBondContact O-N 3.1Å; K40-Q43 PolarHBondContact O-N 3.01Å; K40-S44 WeakPolarHBondContact O-CB 3.15Å; K40-S44 PolarHBondContact O-N 3.46Å
41W68Low57.8Low153 Ų153113.1 Ų113.158%0.5856%0.56SS**Hα-helixtrans-65.3-42.9174.9-177.580.5000112.3T37 P38 S44 M45T37-W41 WeakPolarHBondContact O-CB 3.25Å; T37-W41 PolarHBondContact O-N 2.95Å; P38-W41 PolarHBondContact O-N 2.89Å; W41-S44 CarbonylContact O-C 3.56Å; W41-S44 WeakPolarHBondContact O-CA 3.1Å; W41-S44 VanDerWaalsContact O-CB 3.3Å; W41-S44 WeakPolarHBondContact O-CB 3.49Å; W41-S44 PolarHBondContact O-N 3.07Å; W41-S44 VanDerWaalsContact O-N 3.1Å; W41-M45 HydrophobicContact CD2-CE 4.18Å; W41-M45 HydrophobicContact CD2-CG 4.28Å; W41-M45 HydrophobicContact CD2-SD 4.28Å; W41-M45 HydrophobicContact CE3-CE 3.58Å; W41-M45 HydrophobicContact CE3-SD 4.24Å; W41-M45 HydrophobicContact CH2-CE 3.12Å; W41-M45 HydrophobicContact CH2-CG 4.45Å; W41-M45 HydrophobicContact CH2-SD 3.27Å; W41-M45 WeakPolarHBondContact CH2-SD 3.39Å; W41-M45 HydrophobicContact CZ2-CE 3.75Å; W41-M45 HydrophobicContact CZ2-CG 4.13Å; W41-M45 HydrophobicContact CZ2-SD 3.25Å; W41-M45 WeakPolarHBondContact CZ2-SD 3.38Å; W41-M45 HydrophobicContact CZ3-CE 3.02Å; W41-M45 HydrophobicContact CZ3-SD 3.8Å; W41-M45 PolarHBondContact O-N 3.34Å
42Y66.9Low57.6Low122 Ų122113.6 Ų113.648%0.47857%0.573SS.*Hα-helixtrans-63.8-43.8175.7-176.7-104.2000111.4P38 L39 S44 M45 I46P38-Y42 WeakPolarHBondContact O-CB 3.27Å; P38-Y42 PolarHBondContact O-N 2.95Å; L39-Y42 PolarHBondContact O-N 2.85Å; Y42-S44 PolarHBondContact O-N 3.42Å; Y42-M45 HydrophobicContact CD2-CE 4.48Å; Y42-M45 PolarHBondContact O-N 3.28Å; Y42-M45 VanDerWaalsContact O-N 3.07Å; Y42-I46 HydrophobicContact CD1-CD1 4.1Å; Y42-I46 HydrophobicContact CD1-CG2 4.13Å; Y42-I46 HydrophobicContact CD2-CG2 4.22Å; Y42-I46 HydrophobicContact CE1-CD1 3.9Å; Y42-I46 HydrophobicContact CE1-CG2 3.68Å; Y42-I46 HydrophobicContact CE2-CG2 3.77Å; Y42-I46 HydrophobicContact CG-CG2 4.38Å; Y42-I46 VanDerWaalsContact CZ-CG2 3.48Å; Y42-I46 WeakPolarHBondContact O-CG1 3.21Å; Y42-I46 WeakPolarHBondContact O-CG2 3.41Å; Y42-I46 PolarHBondContact O-N 2.81Å
43Q62.6Low57.6Low82 Ų82120.4 Ų120.438%0.38359%0.588SS.*Hα-helixtrans-56.4-39.7170.9-79.9-175.3-34.100111.9L39 K40 M45 R47L39-Q43 WeakPolarHBondContact O-CB 3.26Å; L39-Q43 VanDerWaalsContact O-CG 3.28Å; L39-Q43 WeakPolarHBondContact O-CG 3.37Å; L39-Q43 PolarHBondContact O-N 3.11Å; K40-Q43 PolarHBondContact O-N 3.01Å; Q43-M45 VanDerWaalsContact C-N 3.35Å; Q43-R47 WeakPolarHBondContact O-CB 3.32Å; Q43-R47 WeakPolarHBondContact O-CG 3.35Å; Q43-R47 PolarHBondContact O-N 2.87Å; Q43-R47 VanDerWaalsContact O-N 3.11Å
44S66.2Low57.6Low88 Ų88115.7 Ų115.762%0.61559%0.593SS**Hα-helixtrans-68-32.1175.9-168.20000113K40 W41 Y42K40-S44 WeakPolarHBondContact O-CB 3.15Å; K40-S44 PolarHBondContact O-N 3.46Å; W41-S44 CarbonylContact O-C 3.56Å; W41-S44 WeakPolarHBondContact O-CA 3.1Å; W41-S44 VanDerWaalsContact O-CB 3.3Å; W41-S44 WeakPolarHBondContact O-CB 3.49Å; W41-S44 PolarHBondContact O-N 3.07Å; W41-S44 VanDerWaalsContact O-N 3.1Å; Y42-S44 PolarHBondContact O-N 3.42Å
45M65.8Low57.2Low84 Ų84120.5 Ų120.541%0.41461%0.609SS.*Hα-helixtrans-82.2-37.1178.9-73.9-153.9-53.700113.9W41 Y42 Q43 R47W41-M45 HydrophobicContact CD2-CE 4.18Å; W41-M45 HydrophobicContact CD2-CG 4.28Å; W41-M45 HydrophobicContact CD2-SD 4.28Å; W41-M45 HydrophobicContact CE3-CE 3.58Å; W41-M45 HydrophobicContact CE3-SD 4.24Å; W41-M45 HydrophobicContact CH2-CE 3.12Å; W41-M45 HydrophobicContact CH2-CG 4.45Å; W41-M45 HydrophobicContact CH2-SD 3.27Å; W41-M45 WeakPolarHBondContact CH2-SD 3.39Å; W41-M45 HydrophobicContact CZ2-CE 3.75Å; W41-M45 HydrophobicContact CZ2-CG 4.13Å; W41-M45 HydrophobicContact CZ2-SD 3.25Å; W41-M45 WeakPolarHBondContact CZ2-SD 3.38Å; W41-M45 HydrophobicContact CZ3-CE 3.02Å; W41-M45 HydrophobicContact CZ3-SD 3.8Å; W41-M45 PolarHBondContact O-N 3.34Å; Y42-M45 HydrophobicContact CD2-CE 4.48Å; Y42-M45 PolarHBondContact O-N 3.28Å; Y42-M45 VanDerWaalsContact O-N 3.07Å; Q43-M45 VanDerWaalsContact C-N 3.35Å; M45-R47 VanDerWaalsContact C-N 3.28Å
46I63.4Low57.4Low94 Ų94124.5 Ų124.548%0.48262%0.622SS.*Hα-helixtrans-75.9-21.4176.468.4-177.5000111.9Y42 Q48Y42-I46 HydrophobicContact CD1-CD1 4.1Å; Y42-I46 HydrophobicContact CD1-CG2 4.13Å; Y42-I46 HydrophobicContact CD2-CG2 4.22Å; Y42-I46 HydrophobicContact CE1-CD1 3.9Å; Y42-I46 HydrophobicContact CE1-CG2 3.68Å; Y42-I46 HydrophobicContact CE2-CG2 3.77Å; Y42-I46 HydrophobicContact CG-CG2 4.38Å; Y42-I46 VanDerWaalsContact CZ-CG2 3.48Å; Y42-I46 WeakPolarHBondContact O-CG1 3.21Å; Y42-I46 WeakPolarHBondContact O-CG2 3.41Å; Y42-I46 PolarHBondContact O-N 2.81Å; I46-Q48 PolarHBondContact O-N 3.48Å
47R58Low57.5Low192 Ų192124 Ų12473%0.72563%0.625SS**SBendtrans-76.872.4160.9-71.6-161168.2-86.1-3.9108.6Q43 M45Q43-R47 WeakPolarHBondContact O-CB 3.32Å; Q43-R47 WeakPolarHBondContact O-CG 3.35Å; Q43-R47 PolarHBondContact O-N 2.87Å; Q43-R47 VanDerWaalsContact O-N 3.11Å; M45-R47 VanDerWaalsContact C-N 3.28Å
48Q44.8Very low57.4Low140 Ų140126.1 Ų126.165%0.65463%0.63SS**  trans-41.2137.6153.1-67-70.6-4700107.9I46 Y50I46-Q48 PolarHBondContact O-N 3.48Å; Q48-Y50 VanDerWaalsContact C-N 3.31Å; Q48-Y50 PolarHBondContact O-N 3.3Å
49P53.5Low57.3Low114 Ų114125.1 Ų125.174%0.7463%0.632SS**  trans-58.5105.6167.525.6-30.1000105.2P51P49-P51 WeakPolarHBondContact O-CD 3.23Å
50Y39.5Very low56.7Low197 Ų197123.8 Ų123.877%0.77364%0.639SS**  trans-52.1119.5169-105.9-98.7000104.9Q48 S52Q48-Y50 VanDerWaalsContact C-N 3.31Å; Q48-Y50 PolarHBondContact O-N 3.3Å; Y50-S52 VanDerWaalsContact C-N 3.35Å; Y50-S52 PolarHBondContact O-N 3.41Å
51P47.4Very low56.1Low103 Ų103128.4 Ų128.467%0.66965%0.653SS**  trans-54.8113.1163.5-17.931000104.4P49 Y53P49-P51 WeakPolarHBondContact O-CD 3.23Å; P51-Y53 HydrophobicContact CB-CD2 4.42Å; P51-Y53 PolarHBondContact O-N 3.43Å
52S49.8Very low55.4Low119 Ų119129 Ų12983%0.83267%0.667SS**  trans-66.476-179.8-174.10000108.1Y50 G54Y50-S52 VanDerWaalsContact C-N 3.35Å; Y50-S52 PolarHBondContact O-N 3.41Å; S52-G54 PolarHBondContact O-N 2.75Å; S52-G54 VanDerWaalsContact O-N 3.16Å
53Y48.7Very low54.6Low218 Ų218130.1 Ų130.186%0.85568%0.676SS**  trans-82.679.2163.8-99.9-84.8000106.8P51 Y55P51-Y53 HydrophobicContact CB-CD2 4.42Å; P51-Y53 PolarHBondContact O-N 3.43Å; Y53-Y55 VanDerWaalsContact C-N 3.31Å; Y53-Y55 PolarHBondContact O-N 3.5Å
54G49.3Very low53.9Low76 Ų76133.3 Ų133.378%0.78469%0.691SS**SBendtrans61.518.8146.300000118.9S52 E56S52-G54 PolarHBondContact O-N 2.75Å; S52-G54 VanDerWaalsContact O-N 3.16Å; G54-E56 PolarHBondContact O-N 3.38Å
55Y47.5Very low52.9Low187 Ų187138 Ų13873%0.73370%0.703SS**  trans-97.384170.5-154.9-94.1000109.8Y53Y53-Y55 VanDerWaalsContact C-N 3.31Å; Y53-Y55 PolarHBondContact O-N 3.5Å
56E62.1Low52.1Low165 Ų165139.8 Ų139.877%0.77171%0.713SS**  trans-51.4123.8158.1-95.7-85.191.500107.6G54 M58G54-E56 PolarHBondContact O-N 3.38Å; E56-M58 PolarHBondContact O-N 3Å; E56-M58 VanDerWaalsContact O-N 3.14Å
57P61.9Low51.5Low95 Ų95141.8 Ų141.862%0.61772%0.723SS**  trans-61.4124.5170.326.1-30.1000106.6G59P57-G59 PolarHBondContact O-N 3.4Å
58M59.8Low50.8Low137 Ų137138.3 Ų138.368%0.67573%0.725SS**SBendtrans-67.238.3173.4-143.4107.577.400111.8E56 G60E56-M58 PolarHBondContact O-N 3Å; E56-M58 VanDerWaalsContact O-N 3.14Å; M58-G60 PolarHBondContact O-N 3.48Å
59G56.6Low51Low47 Ų47137.1 Ų137.149%0.48573%0.728SS.*THydrogen-bonded Turntrans-78.6-1.2175.200000113.5P57 W61P57-G59 PolarHBondContact O-N 3.4Å; G59-W61 VanDerWaalsContact C-N 3.31Å; G59-W61 PolarHBondContact O-N 2.88Å
60G55.3Low50.7Low58 Ų58138.9 Ų138.960%0.59873%0.73SS**THydrogen-bonded Turntrans-70.7-19176.300000115.1M58M58-G60 PolarHBondContact O-N 3.48Å
61W50.8Low50.9Low225 Ų225134.6 Ų134.685%0.85273%0.729SS**SBendtrans-92.7-20.2-176.6-63.399.3000114.4G59G59-W61 VanDerWaalsContact C-N 3.31Å; G59-W61 PolarHBondContact O-N 2.88Å
62L54.7Low50.6Low167 Ų167136.8 Ų136.887%0.87473%0.73SS**SBendtrans-92.7-6.7-179.2-74.8166.8000113.5
63H49.8Very low50.2Low144 Ų144139.3 Ų139.367%0.66773%0.729SS**SBendtrans-97.37.5-174.4-151.3-83.7000115
64H46.4Very low49.6Very low149 Ų149136.3 Ų136.369%0.6972%0.722SS**  trans-117.78.7-173.9-106101.8000117.6I66H64-I66 PolarHBondContact O-N 3.24Å
65Q46.2Very low49.1Very low188 Ų188138 Ų13888%0.87972%0.72SS**  trans-89.259.5160.5-72.1-71.380.500110I67Q65-I67 PolarHBondContact O-N 2.97Å
66I49.4Very low48.7Very low120 Ų120134 Ų13462%0.61572%0.716SS**  trans-76.7101.6161.9-65.5164.8000105.3H64 P68H64-I66 PolarHBondContact O-N 3.24Å; I66-P68 WeakPolarHBondContact O-CD 3.37Å
67I49.3Very low47.1Very low136 Ų136132 Ų13270%0.69772%0.721SS**  trans-43.6122.4158.6-59.6165.3000106.1Q65 V69Q65-I67 PolarHBondContact O-N 2.97Å; I67-V69 PolarHBondContact O-N 3.03Å
68P44.8Very low46.3Very low119 Ų119135.1 Ų135.177%0.77373%0.727SS**  trans-67.490.2166.227.4-29000105.7I66 L70I66-P68 WeakPolarHBondContact O-CD 3.37Å; P68-L70 PolarHBondContact O-N 3.23Å
69V47.9Very low45.5Very low116 Ų116134.9 Ų134.970%0.70373%0.733SS**  trans-57.9113.8157.1123.10000103.7I67 S71I67-V69 PolarHBondContact O-N 3.03Å; V69-S71 PolarHBondContact O-N 3.47Å
70L48.4Very low44.6Very low150 Ų150140.6 Ų140.679%0.78575%0.752SS**  trans-48.391.2166.7-164.382.9000106.6P68 Q72P68-L70 PolarHBondContact O-N 3.23Å; L70-Q72 PolarHBondContact O-N 3.42Å
71S42.7Very low43.7Very low108 Ų108145.2 Ų145.276%0.75576%0.758SS**  trans-67.492.1168.8-85.20000106.1V69 Q73V69-S71 PolarHBondContact O-N 3.47Å; S71-Q73 PolarHBondContact O-N 3.27Å
72Q42Very low43.2Very low149 Ų149139.9 Ų139.970%0.69675%0.752SS**  trans41.185.2141.9-76-76.287.400114.3L70 H74L70-Q72 PolarHBondContact O-N 3.42Å; Q72-H74 PolarHBondContact O-CD2 3.29Å; Q72-H74 PolarHBondContact O-N 3Å
73Q40.6Very low42.8Very low172 Ų172138.7 Ų138.780%0.80474%0.742SS**  trans-47.499153.6-170.8176.8-39.200110.1S71S71-Q73 PolarHBondContact O-N 3.27Å
74H36.5Very low42.3Very low154 Ų154140.2 Ų140.271%0.71375%0.749SS**  trans-86.9127.9162.3-79.4-140.6000108.2Q72Q72-H74 PolarHBondContact O-CD2 3.29Å; Q72-H74 PolarHBondContact O-N 3Å
75P37.7Very low42.3Very low112 Ų112141 Ų14173%0.72775%0.753SS**  trans-72.7139.5175.627.8-31.2000110.9S77P75-S77 PolarHBondContact O-N 3.22Å
76P39.2Very low41.9Very low103 Ų103139.8 Ų139.867%0.66975%0.751SS**  trans-75.6109.8177.329.9-30.5000109.4H78P76-H78 PolarHBondContact O-N 2.76Å
77S29.8Very low41.3Very low124 Ų124139.4 Ų139.487%0.86776%0.756SS**  trans-73.3107.5159.4-76.60000108.1P75P75-S77 PolarHBondContact O-N 3.22Å
78H44.2Very low41.1Very low159 Ų159139.8 Ų139.874%0.73677%0.765SS**  trans-59.6129.6167.5-58.7-91.1000109.8P76P76-H78 PolarHBondContact O-N 2.76Å
79T42.5Very low41.1Very low133 Ų133139.7 Ų139.782%0.81676%0.762SS**  170.7139.8127.433.50000112.1
80L39.3Very low40.9Very low166 Ų166139.2 Ų139.287%0.86976%0.761SS**  trans77.783.9167.8-68.9153.5000118.2
81Q35.2Very low40.6Very low155 Ų155136.8 Ų136.872%0.72476%0.763SS**  trans-60.5149.6147.7-108.5-147.660.500110.9
82P40.1Very low40.6Very low113 Ų113140.2 Ų140.273%0.73477%0.767SS**  -137.5126.4104.330.7-14.7000113.9
83H46.8Very low40.6Very low143 Ų143141.3 Ų141.366%0.66277%0.772SS**  trans36.5107.6142.5-62.869.5000117.8
84H38.7Very low40.5Very low175 Ų175139.3 Ų139.381%0.8177%0.774SS**  -163.3122.1128.3-80.7-49.9000111
85H46.5Very low41.3Very low167 Ų167138.3 Ų138.377%0.77378%0.778SS**  trans-19.4129.5168.163.6-56.6000119.4
86L38.4Very low41.9Very low162 Ų162136.6 Ų136.685%0.84877%0.773SS**  trans-141.1136.2154.4-100.1146.9000109
87P37.1Very low42.1Very low111 Ų111137.5 Ų137.572%0.72178%0.779SS**  trans-69.1134.5-170.3-13.328.2000111.9V89P87-V89 PolarHBondContact O-N 3.25Å
88V44.7Very low42.9Very low145 Ų145140.6 Ų140.688%0.87978%0.78SS**  trans-64.3111.9164.7172.30000108
89V44.7Very low43.3Very low117 Ų117141.4 Ų141.471%0.70978%0.784SS**  trans-97.7128.6163.4-1680000106.5P87P87-V89 PolarHBondContact O-N 3.25Å
90P43.3Very low43.8Very low106 Ų106141 Ų14169%0.68878%0.784SS**  trans-64.1142.4177.627.2-31.9000109.6Q92P90-Q92 PolarHBondContact O-N 3.37Å
91A41.7Very low44.7Very low99 Ų99142 Ų14282%0.81879%0.787SS**  trans-53.5113.2177.200000110.2Q93A91-Q93 PolarHBondContact O-N 3.32Å; A91-Q93 VanDerWaalsContact O-N 3.09Å
92Q43.3Very low45.8Very low179 Ų179143.1 Ų143.184%0.83679%0.794SS**  trans-67.2107.6169.5-71.6-119.822.100107.7P90P90-Q92 PolarHBondContact O-N 3.37Å
93Q43.2Very low46.7Very low172 Ų172143.5 Ų143.580%0.80480%0.796SS**  trans-59.5136.4164.8-71.6-178-37.300108.5A91 V95A91-Q93 PolarHBondContact O-N 3.32Å; A91-Q93 VanDerWaalsContact O-N 3.09Å; Q93-V95 PolarHBondContact O-N 3.42Å; Q93-V95 VanDerWaalsContact O-N 3.08Å
94P38.7Very low47.3Very low131 Ų131143.1 Ų143.185%0.85180%0.804SS**  trans-62.6115.3175.1-18.330.3000109.7A96P94-A96 PolarHBondContact O-N 3.41Å
95V52.4Low47.7Very low132 Ų132140.6 Ų140.680%0.880%0.803SS**PPolyproline II helixtrans-60.4124.4167158.40000108Q93Q93-V95 PolarHBondContact O-N 3.42Å; Q93-V95 VanDerWaalsContact O-N 3.08Å
96A49.5Very low47.6Very low76 Ų76135.9 Ų135.963%0.62880%0.8SS**PPolyproline II helixtrans-57140.117400000110.3P94 Q98P94-A96 PolarHBondContact O-N 3.41Å; A96-Q98 PolarHBondContact O-N 2.93Å; A96-Q98 VanDerWaalsContact O-N 3.13Å
97P43Very low48Very low122 Ų122137 Ų13779%0.79280%0.8SS**PPolyproline II helixtrans-64.3117.5178.425.1-31.2000109.4Q99P97-Q99 PolarHBondContact O-N 3.1Å
98Q48.4Very low48.4Very low189 Ų189139.8 Ų139.888%0.88380%0.803SS**PPolyproline II helixtrans-64.6117.6173.4-73.4-161.7-11.400109.3A96A96-Q98 PolarHBondContact O-N 2.93Å; A96-Q98 VanDerWaalsContact O-N 3.13Å
99Q52.2Low48.2Very low177 Ų177138.4 Ų138.483%0.82780%0.8SS**PPolyproline II helixtrans-76.1138.6168.1-63.4-152.7-3.200109.8P97 M101P97-Q99 PolarHBondContact O-N 3.1Å; Q99-M101 PolarHBondContact O-N 3.16Å
100P53Low48.6Very low124 Ų124141.1 Ų141.181%0.80581%0.807SS**PPolyproline II helixtrans-69.1122.5175.125.1-28.5000110.1
101M56.7Low48.7Very low188 Ų188142.3 Ų142.393%0.92681%0.813SS**PPolyproline II helixtrans-65.3133.5172.2-79.5-175.2164.200110.5Q99Q99-M101 PolarHBondContact O-N 3.16Å
102M59.8Low49Very low177 Ų177143 Ų14387%0.87281%0.808SS**PPolyproline II helixtrans-66136.7173.5-67.7-164.7-66.900111
103P58.2Low49Very low122 Ų122140.8 Ų140.879%0.79281%0.807SS**PPolyproline II helixtrans-76.2127.7168.827.6-27.5000110.6
104V58.9Low49Very low134 Ų134140.1 Ų140.181%0.81280%0.804SS**PPolyproline II helixtrans-65.7129.9171.51700000109.4G106V104-G106 PolarHBondContact O-N 3.41Å; V104-G106 VanDerWaalsContact O-N 3.13Å
105P47.1Very low49.1Very low122 Ų122141.6 Ų141.679%0.79280%0.799SS**  trans-65.9112.4176-2233.7000111.9
106G45.5Very low48.7Very low69 Ų69144.2 Ų144.271%0.71180%0.802SS**  trans-76.4129.8174.600000113.1V104V104-G106 PolarHBondContact O-N 3.41Å; V104-G106 VanDerWaalsContact O-N 3.13Å
107H46.9Very low48.3Very low186 Ų186149.1 Ų149.186%0.86181%0.813SS**  trans-24.8123.9164.2-58.9-115.9000115.9
108H45.5Very low48.6Very low169 Ų169148.1 Ų148.178%0.78281%0.806SS**PPolyproline II helixtrans-80.5117.6169.546-91.2000110.5
109S40.4Very low48Very low115 Ų115145.7 Ų145.780%0.80480%0.799SS**PPolyproline II helixtrans-75.7119.9164.7-70.10000109.5
110M52.6Low47.6Very low175 Ų175143.9 Ų143.986%0.86279%0.794SS**PPolyproline II helixtrans-74.9131.1163.2-69.1-148.7-159.300109.5
111T44.9Very low47.6Very low131 Ų131143.2 Ų143.280%0.80479%0.789SS**  trans-131.9136.9158.125.80000110.1
112P48.1Very low47.1Very low112 Ų112139.7 Ų139.773%0.72778%0.781SS**  trans-91154.9-160.235.9-34.1000113.4Q114P112-Q114 PolarHBondContact O-N 3.12Å
113T43.5Very low45.9Very low133 Ų133136.7 Ų136.782%0.81678%0.777SS**  trans-41.6121.2160.7-64.90000112
114Q44Very low44.9Very low159 Ų159134.9 Ų134.974%0.74377%0.772SS**  trans-121.4101.5164.9-84.1-77.29400110.5P112P112-Q114 PolarHBondContact O-N 3.12Å
115H41.2Very low44.1Very low161 Ų161137.4 Ų137.475%0.74578%0.775SS**  trans36.6112140.1-67.1-90.9000120.1
116H42.6Very low43.9Very low187 Ų187140.1 Ų140.187%0.86678%0.777SS**  trans-84.5131.3157.1-82.763.3000111.4
117Q40.9Very low44Very low180 Ų180141.9 Ų141.984%0.84178%0.776SS**  trans168162.3138.1-95.6-128.5-19.800110.9
118P50Low43.7Very low100 Ų100141.7 Ų141.765%0.64977%0.773SS**  cis-139.9160.5-21.431.6-10000116.9
119N36.4Very low43.6Very low138 Ų138142.2 Ų142.274%0.73878%0.776SS**  trans69.2105.8134.5-153.565000123.6
120I43.2Very low43.8Very low140 Ų140144.9 Ų144.972%0.71878%0.776SS**  trans79.9133.4135.4-61.2178.3000121.5
121P53.3Low43.4Very low109 Ų109142.2 Ų142.271%0.70877%0.772SS**  trans-90.7170.8-175.841.3-38.9000113.1
122P45.8Very low43.6Very low115 Ų115145.9 Ų145.975%0.74778%0.777SS**  -158.8172.294.641-20.4000117.4
123S34.4Very low43.8Very low113 Ų113148.8 Ų148.879%0.7978%0.78SS**  trans88.1112.9145.4-600000122
124A36.6Very low44.1Very low85 Ų85148.4 Ų148.470%0.70278%0.78SS**  72.1113124.500000120.8
125Q44Very low44.6Very low186 Ų186149 Ų14987%0.86978%0.783SS**  trans60.4112.2136.7-61.1-178-36.300119
126Q42.9Very low45.1Very low180 Ų180147 Ų14784%0.84178%0.784SS**  -152.7138.6128-77-140.9-50.400110.9
127P46.9Very low45.8Very low105 Ų105145.5 Ų145.568%0.68278%0.781SS**  trans-113.886.9179.137.1-23.2000111.5
128F40.3Very low46.7Very low182 Ų182141.9 Ų141.980%0.79877%0.773SS**  trans-146.8105168.8-75.6-74.9000113.1
129Q44.2Very low46.9Very low181 Ų181143 Ų14385%0.84678%0.781SS**  trans34.3107.3142.2-60.1-74.114.300118.6
130Q44.2Very low47.8Very low170 Ų170144.1 Ų144.179%0.79478%0.781SS**  trans-126.9136.7147.6-73.1-151.4-20.900110F132Q130-F132 PolarHBondContact O-N 2.94Å
131P44.4Very low47.9Very low120 Ų120142.2 Ų142.278%0.77978%0.78SS**  trans-65.5129.9171.326.6-30.5000109.5Q133P131-Q133 PolarHBondContact O-N 3.32Å; P131-Q133 VanDerWaalsContact O-N 3.17Å
132F49.1Very low48.2Very low207 Ų207144.8 Ų144.891%0.90878%0.783SS**  trans-45.8114.8-177.6-68.3-94.4000112.5Q130Q130-F132 PolarHBondContact O-N 2.94Å
133Q52.1Low49.1Very low173 Ų173146.9 Ų146.981%0.80878%0.783SS**PPolyproline II helixtrans-74.4136.2153.8-65.2-146.3-51.500108.1P131 Q135P131-Q133 PolarHBondContact O-N 3.32Å; P131-Q133 VanDerWaalsContact O-N 3.17Å; Q133-Q135 PolarHBondContact O-N 3.45Å; Q133-Q135 VanDerWaalsContact O-N 3.11Å
134P49.2Very low50.3Low125 Ų125146.9 Ų146.981%0.81278%0.78SS**PPolyproline II helixtrans-62.5117.3172.323.6-29.5000108.5
135Q55.3Low51.4Low173 Ų173151.8 Ų151.881%0.80879%0.791SS**PPolyproline II helixtrans-60.4135.4171.1-78.1-162.42.300109.1Q133 I137Q133-Q135 PolarHBondContact O-N 3.45Å; Q133-Q135 VanDerWaalsContact O-N 3.11Å; Q135-I137 PolarHBondContact O-N 2.93Å
136P51.2Low52.5Low117 Ų117151.4 Ų151.476%0.7679%0.789SS**PPolyproline II helixtrans-62.8121.1167.824.5-29.3000108.5
137I57.7Low53.4Low156 Ų156148.5 Ų148.580%0.879%0.786SS**PPolyproline II helixtrans-55.9124.3170.4-63.4137.5000107.1Q135Q135-I137 PolarHBondContact O-N 2.93Å
138P59Low54.2Low104 Ų104152.6 Ų152.668%0.67580%0.796SS**PPolyproline II helixtrans-61.3134.4175.424.1-31.1000108.5Q140P138-Q140 PolarHBondContact O-N 3.49Å
139P54.6Low55Low125 Ų125149 Ų14981%0.81279%0.793SS**PPolyproline II helixtrans-60126.717624-31.1000108.4S141P139-S141 PolarHBondContact O-N 3.4Å
140Q55.1Low55.8Low160 Ų160146.1 Ų146.175%0.74879%0.79SS**PPolyproline II helixtrans-52.3116.5168.6-90.4-168.3-29.800108P138 H142P138-Q140 PolarHBondContact O-N 3.49Å; Q140-H142 VanDerWaalsContact C-N 3.29Å; Q140-H142 PolarHBondContact O-N 2.94Å; Q140-H142 PolarHBondContact O-ND1 3.33Å
141S46.6Very low56.8Low100 Ų100146 Ų14670%0.69979%0.794SS**  trans-65.492.2170.853.50000108P139 Q143P139-S141 PolarHBondContact O-N 3.4Å; S141-Q143 PolarHBondContact O-N 3.44Å
142H58.1Low57.7Low163 Ų163148.5 Ų148.576%0.75580%0.795SS**  trans-62.7108.5164.9-65.298.2000106.7Q140Q140-H142 VanDerWaalsContact C-N 3.29Å; Q140-H142 PolarHBondContact O-N 2.94Å; Q140-H142 PolarHBondContact O-ND1 3.33Å
143Q64.6Low58.4Low160 Ų160144.7 Ų144.775%0.74879%0.791SS**PPolyproline II helixtrans-57.1134168.3-71.5-73.6-40.500107.9S141 M145S141-Q143 PolarHBondContact O-N 3.44Å; Q143-M145 PolarHBondContact O-N 3.08Å
144P59.5Low59Low113 Ų113144.9 Ų144.973%0.73479%0.794SS**PPolyproline II helixtrans-64.5122.3173.724.9-30.1000108.7Q146P144-Q146 PolarHBondContact O-N 3.49Å
145M60.1Low60Low188 Ų188147.1 Ų147.193%0.92679%0.793SS**PPolyproline II helixtrans-54.7124.4167.9-135.7101.4151.200107.5Q143Q143-M145 PolarHBondContact O-N 3.08Å
146Q67Low60.7Low178 Ų178144.7 Ų144.783%0.83279%0.793SS**PPolyproline II helixtrans-60.1140.2175.5-87.6-148.4-39.900110.4P144 Q148P144-Q146 PolarHBondContact O-N 3.49Å; Q146-Q148 PolarHBondContact O-N 3.46Å
147P61.8Low61.6Low119 Ų119146.5 Ų146.577%0.77380%0.795SS**PPolyproline II helixtrans-64.4128172.525.1-30.3000109.5S149P147-S149 PolarHBondContact O-N 3.47Å
148Q64.9Low62.3Low191 Ų191143.1 Ų143.189%0.89379%0.791SS**PPolyproline II helixtrans-62.4134.1173.6-68.7-174.3-55.800109.9Q146Q146-Q148 PolarHBondContact O-N 3.46Å
149S57.4Low62.9Low105 Ų105144.3 Ų144.373%0.73480%0.798SS**PPolyproline II helixtrans-58140.4176-56.70000111.3P147 L151P147-S149 PolarHBondContact O-N 3.47Å; S149-L151 PolarHBondContact O-N 3.34Å
150P60.9Low64Low121 Ų121147 Ų14779%0.78680%0.8SS**PPolyproline II helixtrans-64.6123.417921.1-26.5000110.4H152P150-H152 PolarHBondContact O-N 3.15Å
151L63.4Low65Low169 Ų169144.6 Ų144.689%0.88580%0.798SS**PPolyproline II helixtrans-62.2130.9172.5-68.2170000109S149S149-L151 PolarHBondContact O-N 3.34Å
152H64.9Low66.4Low172 Ų172145.8 Ų145.880%0.79680%0.804SS**PPolyproline II helixtrans-53.4148.7179.9-61.4-92.7000111.9P150 M154P150-H152 PolarHBondContact O-N 3.15Å; H152-M154 PolarHBondContact O-N 3.44Å
153P62.7Low67.1Low127 Ų127145.9 Ų145.983%0.82581%0.809SS**PPolyproline II helixtrans-62.2124.1178.123.7-31.3000110.6Q155P153-Q155 PolarHBondContact O-N 2.69Å
154M65.5Low67.4Low176 Ų176143.3 Ų143.387%0.86781%0.806SS**PPolyproline II helixtrans-60.1120.6169.6-100-84.1170.700109.1H152H152-M154 PolarHBondContact O-N 3.44Å
155Q70.7Confident67.9Low172 Ų172143.5 Ų143.580%0.80481%0.807SS**PPolyproline II helixtrans-66134.1174.7-126.9169.7-1.800109.1P153 L157P153-Q155 PolarHBondContact O-N 2.69Å; Q155-L157 WeakPolarHBondContact O-CD1 3.45Å; Q155-L157 PolarHBondContact O-N 2.96Å
156P67.9Low68.2Low123 Ų123142.7 Ų142.780%0.79981%0.806SS**PPolyproline II helixtrans-65.7133.8178.823.7-30.2000110.6
157L70.6Confident67.9Low154 Ų154143.6 Ų143.681%0.80681%0.808SS**PPolyproline II helixtrans-68.1134.8179.6-69.554.7000108.2Q155Q155-L157 WeakPolarHBondContact O-CD1 3.45Å; Q155-L157 PolarHBondContact O-N 2.96Å
158A73.6Confident67.4Low86 Ų86143.7 Ų143.771%0.71181%0.811SS**PPolyproline II helixtrans-59.5143.8-179.900000111.4Q160A158-Q160 PolarHBondContact O-N 2.9Å
159P71.8Confident66.9Low129 Ų129143.2 Ų143.284%0.83881%0.811SS**PPolyproline II helixtrans-62.5133.2-179.422.5-30.4000111.1
160Q76.1Confident67.3Low180 Ų180146.7 Ų146.784%0.84182%0.815SS**PPolyproline II helixtrans-72.6147.5176.7-74.9-136.1-30.300111.8A158A158-Q160 PolarHBondContact O-N 2.9Å
161P77.8Confident67.4Low110 Ų110146.4 Ų146.471%0.71481%0.814SS**PPolyproline II helixtrans-68.1148.3176.728-33.6000111.7
162P74.2Confident67.1Low126 Ų126146.4 Ų146.482%0.81881%0.814SS**PPolyproline II helixtrans-68.5144.9178.927.6-33000111.8
163L74.4Confident66.6Low165 Ų165143.4 Ų143.486%0.86481%0.812SS**PPolyproline II helixtrans-68.2146.8175.9-70.2161.5000110.9
164P70.9Confident66.2Low105 Ų105143.3 Ų143.368%0.68281%0.812SS**PPolyproline II helixtrans-67.5150.7177.728.2-34000111.6L166P164-L166 PolarHBondContact O-N 3.45Å
165P68.3Low65.8Low117 Ų117143 Ų14376%0.7681%0.811SS**PPolyproline II helixtrans-64.9131.4179.424.8-31.4000111F167P165-F167 PolarHBondContact O-N 2.91Å
166L67.4Low65.2Low172 Ų172142 Ų14290%0.90181%0.811SS**PPolyproline II helixtrans-67.3118.3170.6-78.6155.1000108.5P164P164-L166 PolarHBondContact O-N 3.45Å
167F60.1Low64.4Low197 Ų197141.5 Ų141.586%0.86481%0.808SS**PPolyproline II helixtrans-58.1146173.6-70.5-83.6000111.2P165 M169P165-F167 PolarHBondContact O-N 2.91Å; F167-M169 PolarHBondContact O-N 2.88Å
168S51.9Low63.3Low121 Ų121143.5 Ų143.585%0.84681%0.813SS**PPolyproline II helixtrans-47.6123.7-173.8-49.20000113.4Q170S168-Q170 PolarHBondContact O-N 3.33Å
169M54.2Low62.2Low181 Ų181146.9 Ų146.989%0.89282%0.818SS**PPolyproline II helixtrans-61.2119.2166.1-80.9-75.5162.500109.2F167F167-M169 PolarHBondContact O-N 2.88Å
170Q66.8Low61Low177 Ų177146.5 Ų146.583%0.82782%0.816SS**PPolyproline II helixtrans-68.4132173.2-169.6163.270.700109S168S168-Q170 PolarHBondContact O-N 3.33Å
171P61.4Low59.7Low116 Ų116145.9 Ų145.975%0.75382%0.817SS**PPolyproline II helixtrans-66.7138.2179.725.3-32.2000111
172L58.9Low58.6Low169 Ų169148.8 Ų148.889%0.88582%0.822SS**PPolyproline II helixtrans-62.2138.4174.3-87.780.7000110.6
173S54.2Low57.3Low108 Ų108147 Ų14776%0.75582%0.817SS**PPolyproline II helixtrans-62.3143.7176.5-52.20000111.8
174P53.7Low56.2Low126 Ų126150.3 Ų150.382%0.81882%0.818SS**PPolyproline II helixtrans-68.5139.8179.627.3-33.2000111.8
175I57.4Low55.1Low168 Ų168150.7 Ų150.786%0.86282%0.821SS**PPolyproline II helixtrans-72.3126177-71.3141.5000109.5
176L57.8Low53.9Low153 Ų153150 Ų15080%0.80183%0.825SS**PPolyproline II helixtrans-76.5148.1172.7-83.7167.8000111E178L176-E178 PolarHBondContact O-N 2.87Å
177P51.1Low52.7Low112 Ų112148.1 Ų148.173%0.72782%0.821SS**PPolyproline II helixtrans-62.3132176.5-17.730000111.6L179P177-L179 PolarHBondContact O-N 3.26Å
178E47.7Very low51.6Low195 Ų195144.8 Ų144.891%0.91181%0.812SS**PPolyproline II helixtrans-60.3118.2177-69.3-165.3101.600110.9L176L176-E178 PolarHBondContact O-N 2.87Å
179L51.3Low51.3Low158 Ų158148.6 Ų148.683%0.82781%0.813SS**PPolyproline II helixtrans-71143.5162-88.1111.8000109.4P177 L181P177-L179 PolarHBondContact O-N 3.26Å; L179-L181 PolarHBondContact O-N 3.23Å
180P45.7Very low50.9Low121 Ų121145.5 Ų145.579%0.78681%0.805SS**PPolyproline II helixtrans-62.4132.7178.325.9-32.8000110.6E182P180-E182 PolarHBondContact O-N 3.34Å
181L49.5Very low49.6Very low167 Ų167144.5 Ų144.587%0.87480%0.798SS**  trans-51.1101.1-177.6-14568.9000111.3L179 A183L179-L181 PolarHBondContact O-N 3.23Å; L181-A183 PolarHBondContact O-N 3.22Å
182E53.4Low49.2Very low171 Ų171150.2 Ų150.280%0.79980%0.804SS**  trans-62.6119.5162-113.5-101.990.700107.1P180 W184P180-E182 PolarHBondContact O-N 3.34Å; E182-W184 PolarHBondContact O-N 2.71Å; E182-W184 VanDerWaalsContact O-N 3.15Å
183A48.2Very low48.7Very low87 Ų87147.9 Ų147.972%0.71979%0.789SS**  trans-70109.3-178.400000109.3L181L181-A183 PolarHBondContact O-N 3.22Å
184W50.4Low48.4Very low235 Ų235150.8 Ų150.889%0.8979%0.79SS**PPolyproline II helixtrans-55.6137.5174.5-6491.7000111.2E182 A186E182-W184 PolarHBondContact O-N 2.71Å; E182-W184 VanDerWaalsContact O-N 3.15Å; W184-A186 PolarHBondContact O-N 3.38Å
185P47.2Very low48.2Very low114 Ų114150.6 Ų150.674%0.7479%0.787SS**PPolyproline II helixtrans-66.5133.4177.226.7-32.2000110.2T187P185-T187 PolarHBondContact O-N 3.09Å
186A43.9Very low47.4Very low103 Ų103147.6 Ų147.685%0.85178%0.776SS**PPolyproline II helixtrans-59.3119.717900000110.9W184 D188W184-A186 PolarHBondContact O-N 3.38Å; A186-D188 PolarHBondContact O-N 3.22Å; A186-D188 VanDerWaalsContact O-N 3.09Å
187T41Very low46.7Very low132 Ų132149.2 Ų149.281%0.8178%0.777SS**  trans-60.2109.5176.1-620000110.7P185 K189P185-T187 PolarHBondContact O-N 3.09Å; T187-K189 PolarHBondContact O-N 2.71Å
188D38.2Very low46.3Very low127 Ų127147.4 Ų147.468%0.67977%0.767SS**  trans-60.9123.6167.1-172.3-92.4000109.9A186 T190A186-D188 PolarHBondContact O-N 3.22Å; A186-D188 VanDerWaalsContact O-N 3.09Å; D188-T190 PolarHBondContact O-N 3.41Å; D188-T190 PolarHBondContact OD1-OG1 2.95Å
189K46Very low46.5Very low200 Ų200143.2 Ų143.287%0.8776%0.756SS**SBendtrans-78.965.1-178.7-67.2-179.979158.20110.8T187T187-K189 PolarHBondContact O-N 2.71Å
190T46Very low46.3Very low116 Ų116143.6 Ų143.671%0.71276%0.756SS**  trans-150.652.6172.2-14.50000114.7D188D188-T190 PolarHBondContact O-N 3.41Å; D188-T190 PolarHBondContact OD1-OG1 2.95Å
191K39.4Very low46.4Very low156 Ų156146.5 Ų146.568%0.67876%0.756SS**  trans-151.896.1158.1-160.3-171.8174.6-153.10111.9E193K191-E193 VanDerWaalsContact C-N 3.33Å; K191-E193 IonicContact NZ-OE1 2.71Å; K191-E193 PolarHBondContact NZ-OE1 2.88Å; K191-E193 PolarHBondContact O-N 3.04Å
192R53Low46.3Very low237 Ų237147.9 Ų147.989%0.89475%0.75SS**  trans-57.197.8150.755.4-171.5-166176.45.4107.6
193E46.7Very low46.1Very low120 Ų120149.1 Ų149.156%0.56175%0.749SS**  trans-106.497.5158.26217582.500108.2K191 V195K191-E193 VanDerWaalsContact C-N 3.33Å; K191-E193 IonicContact NZ-OE1 2.71Å; K191-E193 PolarHBondContact NZ-OE1 2.88Å; K191-E193 PolarHBondContact O-N 3.04Å; E193-V195 VanDerWaalsContact C-N 3.34Å; E193-V195 PolarHBondContact O-N 2.71Å
194E49.8Very low46.3Very low168 Ų168153.6 Ų153.679%0.78576%0.755SS**  trans-21.585148.349.9-149.199.400115.2V196E194-V196 HydrophobicContact CB-CG2 4.39Å; E194-V196 PolarHBondContact O-N 2.94Å
195V47.6Very low46.2Very low123 Ų123147.3 Ų147.375%0.74575%0.747SS**  trans-76.871.4155.4-1740000107.3E193 F197E193-V195 VanDerWaalsContact C-N 3.34Å; E193-V195 PolarHBondContact O-N 2.71Å; V195-F197 VanDerWaalsContact C-N 3.31Å; V195-F197 PolarHBondContact O-N 3.04Å
196V42.2Very low46.2Very low105 Ų105147.4 Ų147.464%0.63674%0.738SS**  trans-67.199.9159.4171.30000105.8E194 S198E194-V196 HydrophobicContact CB-CG2 4.39Å; E194-V196 PolarHBondContact O-N 2.94Å; V196-S198 PolarHBondContact O-N 3.06Å
197F42.8Very low46.4Very low187 Ų187148.4 Ų148.482%0.8274%0.737SS**  trans-58.388.8167.5-154.6-92.3000107.9V195 P199V195-F197 VanDerWaalsContact C-N 3.31Å; V195-F197 PolarHBondContact O-N 3.04Å; F197-P199 VanDerWaalsContact O-CD 3.23Å; F197-P199 WeakPolarHBondContact O-CD 3.23Å
198S43.1Very low47Very low74 Ų74153.6 Ų153.652%0.51774%0.741SS.*  trans-75.2109.3179.1-73.40000108.9V196 M200V196-S198 PolarHBondContact O-N 3.06Å; S198-M200 PolarHBondContact O-N 2.79Å
199P51.2Low47.4Very low106 Ų106156 Ų15669%0.68875%0.748SS**G310 helixtrans-68.4-9.3-178.67.42.3000112.8F197 K201 W202F197-P199 VanDerWaalsContact O-CD 3.23Å; F197-P199 WeakPolarHBondContact O-CD 3.23Å; P199-K201 PolarHBondContact O-N 3.41Å; P199-W202 PolarHBondContact O-N 3.49Å
200M46.9Very low47.6Very low166 Ų166151.9 Ų151.982%0.81874%0.742SS**G310 helixtrans-70.8-22.3-176.6-105.6-171.1167.800114.9S198S198-M200 PolarHBondContact O-N 2.79Å
201K47.5Very low47.6Very low182 Ų182153.3 Ų153.379%0.79174%0.744SS**G310 helixtrans-75.8-23.6178.9-88.5-177.1174.5177.50113.4P199P199-K201 PolarHBondContact O-N 3.41Å
202W47.2Very low47.8Very low197 Ų197152.1 Ų152.175%0.74675%0.745SS**G310 helixtrans-72.8-30.6178.6-122.692000112.7P199 Q204P199-W202 PolarHBondContact O-N 3.49Å; W202-Q204 VanDerWaalsContact C-N 3.3Å; W202-Q204 PolarHBondContact O-N 3.4Å
203Y50.4Low47.5Very low197 Ų197148 Ų14877%0.77374%0.738SS**G310 helixtrans-74.2-17.8-179.9-114.6-87.8000114.2
204Q51.3Low47.5Very low181 Ų181150.2 Ų150.285%0.84675%0.748SS**G310 helixtrans-87.9-11.1-178.2-146.4179.768.700113.1W202W202-Q204 VanDerWaalsContact C-N 3.3Å; W202-Q204 PolarHBondContact O-N 3.4Å
205S48.8Very low47.5Very low103 Ų103147.8 Ų147.872%0.7275%0.745SS**G310 helixtrans-104.819.8-177.2-167.30000113.8
206M46.3Very low47.7Very low115 Ų115147.6 Ų147.657%0.56775%0.746SS**SBendtrans-95.6128.4166.1-69.7-161.1-147.500109.8R208M206-R208 PolarHBondContact O-N 3.09Å; M206-R208 VanDerWaalsContact O-N 3.09Å
207P48.8Very low48Very low125 Ų125148.6 Ų148.681%0.81275%0.753SS**  trans-64113.3170.224.5-29.1000108.8H209P207-H209 PolarHBondContact O-N 3.07Å; P207-H209 VanDerWaalsContact O-N 3.07Å
208R53.7Low48.2Very low241 Ų241148.8 Ų148.891%0.90976%0.756SS**  trans-66.1106.5165.8-77-153.9-1551686.5108M206M206-R208 PolarHBondContact O-N 3.09Å; M206-R208 VanDerWaalsContact O-N 3.09Å
209H46.2Very low48.5Very low177 Ų177158.1 Ų158.182%0.81979%0.788SS**  trans-63.9125.1157.7-123.7-91.8000107.8P207 L211P207-H209 PolarHBondContact O-N 3.07Å; P207-H209 VanDerWaalsContact O-N 3.07Å; H209-L211 PolarHBondContact O-N 3.23Å
210P49.9Very low48.4Very low113 Ų113160.8 Ų160.873%0.73479%0.793SS**  trans-67.9119.6170.826.2-29.7000108.5N212P210-N212 PolarHBondContact O-N 3.12Å; P210-N212 VanDerWaalsContact O-N 3.12Å
211L46.9Very low48.5Very low147 Ų147160.5 Ų160.577%0.7779%0.791SS**  trans-66.2106.1166.3-148.597.3000106.4H209 M213H209-L211 PolarHBondContact O-N 3.23Å; L211-M213 PolarHBondContact O-N 3.07Å
212N44.4Very low48.5Very low130 Ų130159.3 Ų159.370%0.69579%0.791SS**  trans-63.9106.1172.7-17412.4000107.9P210 E214P210-N212 PolarHBondContact O-N 3.12Å; P210-N212 VanDerWaalsContact O-N 3.12Å; N212-E214 PolarHBondContact O-N 3.22Å
213M46.2Very low48.6Very low152 Ų152157.1 Ų157.175%0.74979%0.794SS**  trans-85.782.9175.2-57.9-172.3-171.700108L211 T215L211-M213 PolarHBondContact O-N 3.07Å; M213-T215 PolarHBondContact O-N 3.15Å; M213-T215 VanDerWaalsContact O-N 3.15Å
214E46.9Very low48.5Very low166 Ų166154.6 Ų154.678%0.77680%0.795SS**  trans-68110.3165.4-70.5-172.288.600108.2N212 P216N212-E214 PolarHBondContact O-N 3.22Å; E214-P216 WeakPolarHBondContact O-CD 3.42Å
215T49.2Very low48.3Very low116 Ų116152.8 Ų152.871%0.71279%0.792SS**  trans-87.8113.4174.8-47.80000107.2M213 T217M213-T215 PolarHBondContact O-N 3.15Å; M213-T215 VanDerWaalsContact O-N 3.15Å; T215-T217 PolarHBondContact O-N 3.15Å; T215-T217 VanDerWaalsContact O-N 3.15Å
216P51.2Low48.3Very low119 Ų119156.4 Ų156.477%0.77380%0.797SS**  trans-75.2107.8170.628.1-27.9000108E214 E218E214-P216 WeakPolarHBondContact O-CD 3.42Å; P216-E218 PolarHBondContact O-N 3.33Å
217T49.7Very low48.4Very low127 Ų127159.5 Ų159.578%0.77982%0.815SS**  trans-79.4101.4164.2-60.40000107.3T215T215-T217 PolarHBondContact O-N 3.15Å; T215-T217 VanDerWaalsContact O-N 3.15Å
218E47Very low48.4Very low190 Ų190162.4 Ų162.489%0.88882%0.815SS**  trans-92.1118.1165.9-168.5-178.7106.300108.3P216P216-E218 PolarHBondContact O-N 3.33Å
219K49.3Very low47.9Very low271 Ų271155.3 Ų155.3100%1.17881%0.807SS**  trans-144.80158.3-88.7-164.5179.1-172.90108.8

Retrieved 219 of 219 residues in 23.9 ms (Link to these results)