A0A096MDH0_POEFO Loading...

Inhibitory synaptic factor 1

AlphaFold DB , UniProt , Accession A0A096MDH0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 320 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
1M42.9Very low51.9Low239 Ų239156.1 Ų156.1100%1.17786%0.863SS**  095.60-70.8-175.6166.300107.5
2S45.3Very low52Low126 Ų126151.6 Ų151.688%0.88185%0.85SS**  trans-99.7102.7-178.6-57.80000108.4S4S2-S4 PolarHBondContact O-N 3.22Å
3L54.6Low53.1Low174 Ų174153.9 Ų153.991%0.91185%0.85SS**  trans-78.698.2172.5-66.9171000107.9R5L3-R5 PolarHBondContact O-N 3.19Å
4S48.9Very low54.8Low122 Ų122151.6 Ų151.685%0.85384%0.843SS**  trans-72104.5168.7-168.70000108.4S2 A6S2-S4 PolarHBondContact O-N 3.22Å; S4-A6 PolarHBondContact O-N 3.49Å
5R58.8Low56.5Low239 Ų239146.5 Ų146.590%0.90282%0.819SS**  trans-80.9110.3173.7-178.4171.6-178.9-174.5-0.9108.1L3L3-R5 PolarHBondContact O-N 3.19Å
6A61.2Low58.8Low83 Ų83140.4 Ų140.469%0.68679%0.789SS**PPolyproline II helixtrans-68.7144.4172.300000110.9S4S4-A6 PolarHBondContact O-N 3.49Å
7P52Low60.8Low118 Ų118137.7 Ų137.777%0.76678%0.779SS**PPolyproline II helixtrans-77.9137178.131.2-30.7000110.5R9P7-R9 PolarHBondContact O-N 3.43Å
8A52.8Low62.7Low94 Ų94141.4 Ų141.478%0.77778%0.778SS**PPolyproline II helixtrans-60.3129172.400000109.5D10A8-D10 PolarHBondContact O-N 3.15Å
9R53.9Low64.5Low232 Ų232138.8 Ų138.888%0.87576%0.76SS**  trans-71.6115.6173.2-74.8-77.1173.7165.5-2.9108.1P7 T11P7-R9 PolarHBondContact O-N 3.43Å; R9-T11 PolarHBondContact O-N 3.31Å; R9-T11 VanDerWaalsContact O-N 3.15Å
10D47Very low66.1Low151 Ų151140.3 Ų140.381%0.80775%0.754SS**  trans-56.3111.6169.2-76.5-55.8000109.9A8 S12A8-D10 PolarHBondContact O-N 3.15Å; D10-S12 PolarHBondContact O-N 3.19Å
11T53.7Low67.6Low139 Ų139138.4 Ų138.485%0.85374%0.742SS**  trans-86.165169.856.40000108.9R9R9-T11 PolarHBondContact O-N 3.31Å; R9-T11 VanDerWaalsContact O-N 3.15Å
12S53Low70.2Confident102 Ų102134.8 Ų134.871%0.71372%0.716SS**  trans-106.751.4165.955.40000109.2D10 T14D10-S12 PolarHBondContact O-N 3.19Å; S12-T14 PolarHBondContact O-N 3.09Å
13E66.1Low72.7Confident182 Ų182132.3 Ų132.385%0.8570%0.699SS**  trans-83.8102.8-179.9-160167.3-17700108.6
14T76.8Confident74.8Confident122 Ų122129.6 Ų129.675%0.74868%0.681SS**PPolyproline II helixtrans-59.2131.1168.738.20000108.6S12 S16S12-T14 PolarHBondContact O-N 3.09Å; T14-S16 PolarHBondContact O-N 3.25Å
15P81.1Confident77.1Confident74 Ų74129 Ų12948%0.48167%0.666SS.*PPolyproline II helixtrans-61.3128.1-170.422.8-32.7000109.8E19 R20P15-E19 HydrophobicContact CB-CB 4.33Å; P15-E19 HydrophobicContact CB-CG 4.28Å; P15-R20 HydrophobicContact CB-CG 4.29Å; P15-R20 HydrophobicContact CG-CG 4.25Å
16S92.2Very high79Confident49 Ų49124 Ų12434%0.34365%0.651SS.*PPolyproline II helixtrans-59.6155.9-178.481.50000110.6T14 R18 E19 R20T14-S16 PolarHBondContact O-N 3.25Å; S16-R18 PolarHBondContact O-N 3.49Å; S16-R18 VanDerWaalsContact O-N 3.11Å; S16-E19 WeakPolarHBondContact O-CA 3.38Å; S16-E19 WeakPolarHBondContact O-CB 3.37Å; S16-E19 PolarHBondContact O-N 2.95Å; S16-E19 PolarHBondContact OG-N 3.05Å; S16-R20 PolarHBondContact O-N 3.36Å
17P93.3Very high80.8Confident95 Ų95124.6 Ų124.662%0.61764%0.641SS**Hα-helixtrans-51.6-38.2177-28.235.2000113.4E19 R20 I21P17-E19 VanDerWaalsContact C-N 3.32Å; P17-E19 PolarHBondContact O-N 3.33Å; P17-R20 PolarHBondContact O-N 3.29Å; P17-I21 VanDerWaalsContact O-CG1 3.31Å; P17-I21 WeakPolarHBondContact O-CG1 3.37Å; P17-I21 PolarHBondContact O-N 3.36Å
18R95.4Very high83Confident204 Ų204121.5 Ų121.577%0.7762%0.619SS**Hα-helixtrans-63.8-36.7175.7-77.4-172.8-92.8-152.3-5.7112.6S16 R22S16-R18 PolarHBondContact O-N 3.49Å; S16-R18 VanDerWaalsContact O-N 3.11Å; R18-R22 WeakPolarHBondContact O-CG 3.36Å; R18-R22 PolarHBondContact O-N 3.03Å
19E96.2Very high85.2Confident92 Ų92121.1 Ų121.143%0.4360%0.603SS.*Hα-helixtrans-72.7-36.9177.2-171.5164.1-14900112.4P15 S16 P17 I21 R22 S23P15-E19 HydrophobicContact CB-CB 4.33Å; P15-E19 HydrophobicContact CB-CG 4.28Å; S16-E19 WeakPolarHBondContact O-CA 3.38Å; S16-E19 WeakPolarHBondContact O-CB 3.37Å; S16-E19 PolarHBondContact O-N 2.95Å; S16-E19 PolarHBondContact OG-N 3.05Å; P17-E19 VanDerWaalsContact C-N 3.32Å; P17-E19 PolarHBondContact O-N 3.33Å; E19-I21 VanDerWaalsContact C-N 3.33Å; E19-I21 PolarHBondContact O-N 2.87Å; E19-R22 PolarHBondContact O-N 3.32Å; E19-S23 WeakPolarHBondContact O-CB 3.39Å; E19-S23 PolarHBondContact O-N 3Å
20R96.1Very high87.3Confident169 Ų169114 Ų11464%0.63858%0.583SS**Hα-helixtrans-60.9-42.8171.9-64.9176.262.6-144.9-3.2111.7P15 S16 P17 S23 H24P15-R20 HydrophobicContact CB-CG 4.29Å; P15-R20 HydrophobicContact CG-CG 4.25Å; S16-R20 PolarHBondContact O-N 3.36Å; P17-R20 PolarHBondContact O-N 3.29Å; R20-S23 PolarHBondContact O-N 3.22Å; R20-H24 WeakPolarHBondContact O-CB 3.44Å; R20-H24 PolarHBondContact O-N 3.27Å
21I97.5Very high89.8Confident100 Ų100112.5 Ų112.551%0.51357%0.571SS.*Hα-helixtrans-62.5-48.7175.6-65.5162.9000110.5P17 E19 S23 H24 M25P17-I21 VanDerWaalsContact O-CG1 3.31Å; P17-I21 WeakPolarHBondContact O-CG1 3.37Å; P17-I21 PolarHBondContact O-N 3.36Å; E19-I21 VanDerWaalsContact C-N 3.33Å; E19-I21 PolarHBondContact O-N 2.87Å; I21-S23 VanDerWaalsContact C-N 3.33Å; I21-S23 PolarHBondContact O-N 3.44Å; I21-H24 PolarHBondContact O-N 3.11Å; I21-M25 HydrophobicContact CG2-CG 4.41Å; I21-M25 HydrophobicContact CG2-SD 4.08Å; I21-M25 WeakPolarHBondContact O-CG 3.22Å; I21-M25 PolarHBondContact O-N 3.39Å
22R97.8Very high91.9Very high164 Ų164110.5 Ų110.562%0.61955%0.554SS**Hα-helixtrans-59.1-42.9177.2-72.4-173.4-59.8172.84.8112.6R18 E19 M25 K26R18-R22 WeakPolarHBondContact O-CG 3.36Å; R18-R22 PolarHBondContact O-N 3.03Å; E19-R22 PolarHBondContact O-N 3.32Å; R22-M25 PolarHBondContact O-N 3.43Å; R22-K26 WeakPolarHBondContact O-CB 3.31Å; R22-K26 PolarHBondContact O-N 2.87Å
23S98Very high94.1Very high74 Ų74111.4 Ų111.452%0.51755%0.547SS..Hα-helixtrans-63.4-42.4177.1-177.20000111.6E19 R20 I21 K26 M27E19-S23 WeakPolarHBondContact O-CB 3.39Å; E19-S23 PolarHBondContact O-N 3Å; R20-S23 PolarHBondContact O-N 3.22Å; I21-S23 VanDerWaalsContact C-N 3.33Å; I21-S23 PolarHBondContact O-N 3.44Å; S23-K26 PolarHBondContact O-N 3.45Å; S23-M27 PolarHBondContact O-N 3.1Å
24H98.1Very high95.6Very high117 Ų117104.1 Ų104.154%0.54252%0.521SS..Hα-helixtrans-65.3-46.7176.9-172.461.3000112.1R20 I21 K26 M27 V28R20-H24 WeakPolarHBondContact O-CB 3.44Å; R20-H24 PolarHBondContact O-N 3.27Å; I21-H24 PolarHBondContact O-N 3.11Å; H24-K26 VanDerWaalsContact C-N 3.29Å; H24-K26 PolarHBondContact O-N 3.32Å; H24-M27 WeakPolarHBondContact O-CB 3.41Å; H24-M27 PolarHBondContact O-N 3.16Å; H24-M27 VanDerWaalsContact O-N 3.17Å; H24-V28 WeakPolarHBondContact O-CG2 3.47Å; H24-V28 PolarHBondContact O-N 3.15Å
25M98.6Very high96.7Very high110 Ų110102.4 Ų102.454%0.54251%0.506SS..Hα-helixtrans-58.7-43175.5-70.317875.300111.5I21 R22 M27 V28 I29I21-M25 HydrophobicContact CG2-CG 4.41Å; I21-M25 HydrophobicContact CG2-SD 4.08Å; I21-M25 WeakPolarHBondContact O-CG 3.22Å; I21-M25 PolarHBondContact O-N 3.39Å; R22-M25 PolarHBondContact O-N 3.43Å; M25-M27 VanDerWaalsContact C-N 3.34Å; M25-M27 PolarHBondContact O-N 2.97Å; M25-V28 PolarHBondContact O-N 3.4Å; M25-I29 WeakPolarHBondContact O-CD1 3.37Å; M25-I29 VanDerWaalsContact O-CG1 3.22Å; M25-I29 WeakPolarHBondContact O-CG1 3.39Å; M25-I29 PolarHBondContact O-N 3.13Å
26K98.4Very high97.5Very high134 Ų134104.4 Ų104.458%0.58351%0.513SS*.Hα-helixtrans-58.3-47.7175.7-178.8172.4-179.9165.20111.5R22 S23 H24 V28 I29 D30R22-K26 WeakPolarHBondContact O-CB 3.31Å; R22-K26 PolarHBondContact O-N 2.87Å; S23-K26 PolarHBondContact O-N 3.45Å; H24-K26 VanDerWaalsContact C-N 3.29Å; H24-K26 PolarHBondContact O-N 3.32Å; K26-V28 VanDerWaalsContact C-N 3.32Å; K26-V28 PolarHBondContact O-N 2.9Å; K26-I29 PolarHBondContact O-N 3.29Å; K26-D30 PolarHBondContact O-N 3.42Å
27M98.5Very high97.8Very high95 Ų95108.8 Ų108.847%0.46853%0.525SS..Hα-helixtrans-60.3-42.4177.2-173.8-167.3-49.300112.2S23 H24 M25 I29 D30 Q31S23-M27 PolarHBondContact O-N 3.1Å; H24-M27 WeakPolarHBondContact O-CB 3.41Å; H24-M27 PolarHBondContact O-N 3.16Å; H24-M27 VanDerWaalsContact O-N 3.17Å; M25-M27 VanDerWaalsContact C-N 3.34Å; M25-M27 PolarHBondContact O-N 2.97Å; M27-I29 VanDerWaalsContact C-N 3.35Å; M27-D30 PolarHBondContact O-N 2.92Å; M27-Q31 WeakPolarHBondContact O-CG 3.41Å; M27-Q31 PolarHBondContact O-N 3.38Å
28V98.6Very high98.1Very high53 Ų53110.6 Ų110.632%0.32153%0.525SS..Hα-helixtrans-63.4-43177171.40000110.7H24 M25 K26 Q31 L32H24-V28 WeakPolarHBondContact O-CG2 3.47Å; H24-V28 PolarHBondContact O-N 3.15Å; M25-V28 PolarHBondContact O-N 3.4Å; K26-V28 VanDerWaalsContact C-N 3.32Å; K26-V28 PolarHBondContact O-N 2.9Å; V28-Q31 PolarHBondContact O-N 2.9Å; V28-L32 HydrophobicContact CG1-CD1 4Å; V28-L32 HydrophobicContact CG1-CG 4.39Å; V28-L32 VanDerWaalsContact O-CG 3.3Å; V28-L32 WeakPolarHBondContact O-CG 3.31Å; V28-L32 PolarHBondContact O-N 2.89Å
29I98.6Very high98.2Very high85 Ų85105.9 Ų105.944%0.43652%0.515SS..Hα-helixtrans-60.9-49.1176.3-68.3162.6000110.2M25 K26 M27 Q31 L32 E33M25-I29 WeakPolarHBondContact O-CD1 3.37Å; M25-I29 VanDerWaalsContact O-CG1 3.22Å; M25-I29 WeakPolarHBondContact O-CG1 3.39Å; M25-I29 PolarHBondContact O-N 3.13Å; K26-I29 PolarHBondContact O-N 3.29Å; M27-I29 VanDerWaalsContact C-N 3.35Å; I29-Q31 VanDerWaalsContact C-N 3.26Å; I29-Q31 PolarHBondContact O-N 2.87Å; I29-L32 PolarHBondContact O-N 3.22Å; I29-L32 VanDerWaalsContact O-N 3.13Å; I29-E33 HydrophobicContact CG2-CG 4.46Å; I29-E33 WeakPolarHBondContact O-CG 3.41Å; I29-E33 PolarHBondContact O-N 3.24Å
30D98.6Very high98.4Very high84 Ų84108.9 Ų108.945%0.44953%0.527SS..Hα-helixtrans-59.3-38.4178.6-64-20.6000111.4K26 M27 G34K26-D30 PolarHBondContact O-N 3.42Å; M27-D30 PolarHBondContact O-N 2.92Å; D30-G34 PolarHBondContact O-N 3.39Å; D30-G34 VanDerWaalsContact O-N 3.14Å
31Q98.7Very high98.5Very high118 Ų118104.6 Ų104.655%0.55152%0.516SS*.Hα-helixtrans-66-45.3174.8-76.2-178.8-1.900112.4M27 V28 I29 E33 G34 I35M27-Q31 WeakPolarHBondContact O-CG 3.41Å; M27-Q31 PolarHBondContact O-N 3.38Å; V28-Q31 PolarHBondContact O-N 2.9Å; I29-Q31 VanDerWaalsContact C-N 3.26Å; I29-Q31 PolarHBondContact O-N 2.87Å; Q31-E33 VanDerWaalsContact C-N 3.33Å; Q31-E33 PolarHBondContact O-N 3.21Å; Q31-G34 PolarHBondContact O-N 3.46Å; Q31-G34 VanDerWaalsContact O-N 3.17Å; Q31-I35 WeakPolarHBondContact O-CG1 3.45Å; Q31-I35 PolarHBondContact O-N 3.39Å
32L98.8Very high98.5Very high97 Ų97103.2 Ų103.251%0.50851%0.512SS..Hα-helixtrans-63.7-38.8178.2-71172.7000111.7V28 I29 G34 I35 L36V28-L32 HydrophobicContact CG1-CD1 4Å; V28-L32 HydrophobicContact CG1-CG 4.39Å; V28-L32 VanDerWaalsContact O-CG 3.3Å; V28-L32 WeakPolarHBondContact O-CG 3.31Å; V28-L32 PolarHBondContact O-N 2.89Å; I29-L32 PolarHBondContact O-N 3.22Å; I29-L32 VanDerWaalsContact O-N 3.13Å; L32-G34 VanDerWaalsContact C-N 3.3Å; L32-G34 PolarHBondContact O-N 3.17Å; L32-I35 PolarHBondContact O-N 3.48Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.44Å; L32-L36 PolarHBondContact O-N 3.14Å
33E98.6Very high98.6Very high121 Ų12198.1 Ų98.157%0.56551%0.505SS*.Hα-helixtrans-60.8-40.1173-72.1-179.1178.500111.9I29 Q31 K37I29-E33 HydrophobicContact CG2-CG 4.46Å; I29-E33 WeakPolarHBondContact O-CG 3.41Å; I29-E33 PolarHBondContact O-N 3.24Å; Q31-E33 VanDerWaalsContact C-N 3.33Å; Q31-E33 PolarHBondContact O-N 3.21Å; E33-K37 PolarHBondContact O-N 2.93Å; E33-K37 VanDerWaalsContact O-N 3.12Å
34G98.5Very high98.6Very high29 Ų29101.7 Ų101.730%0.29951%0.512SS..Hα-helixtrans-59.8-51.7172.900000112.4D30 Q31 L32 L36 K37 E38D30-G34 PolarHBondContact O-N 3.39Å; D30-G34 VanDerWaalsContact O-N 3.14Å; Q31-G34 PolarHBondContact O-N 3.46Å; Q31-G34 VanDerWaalsContact O-N 3.17Å; L32-G34 VanDerWaalsContact C-N 3.3Å; L32-G34 PolarHBondContact O-N 3.17Å; G34-L36 VanDerWaalsContact C-N 3.34Å; G34-L36 PolarHBondContact O-N 2.99Å; G34-K37 WeakPolarHBondContact O-CB 3.3Å; G34-K37 PolarHBondContact O-N 3.12Å; G34-K37 VanDerWaalsContact O-N 3.16Å; G34-E38 PolarHBondContact O-N 3.32Å
35I98.6Very high98.6Very high86 Ų86102.1 Ų102.144%0.44151%0.514SS..Hα-helixtrans-60.6-43.7179.4-66166.1000111.1Q31 L32 K37 E38 L39Q31-I35 WeakPolarHBondContact O-CG1 3.45Å; Q31-I35 PolarHBondContact O-N 3.39Å; L32-I35 PolarHBondContact O-N 3.48Å; I35-K37 VanDerWaalsContact C-N 3.26Å; I35-K37 PolarHBondContact O-N 3.46Å; I35-E38 PolarHBondContact O-N 3.25Å; I35-L39 HydrophobicContact CG2-CD1 4.02Å; I35-L39 HydrophobicContact CG2-CG 4.31Å; I35-L39 WeakPolarHBondContact O-CG 3.34Å; I35-L39 PolarHBondContact O-N 3.44Å
36L98.8Very high98.7Very high117 Ų117102 Ų10261%0.61352%0.515SS*.Hα-helixtrans-61.1-37.2178.2-76.9170.1000112.2L32 G34 K40L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.44Å; L32-L36 PolarHBondContact O-N 3.14Å; G34-L36 VanDerWaalsContact C-N 3.34Å; G34-L36 PolarHBondContact O-N 2.99Å; L36-K40 WeakPolarHBondContact O-CB 3.2Å; L36-K40 PolarHBondContact O-N 3.16Å; L36-K40 VanDerWaalsContact O-N 3.08Å
37K98.7Very high98.7Very high141 Ų141105.3 Ų105.361%0.61352%0.524SS*.Hα-helixtrans-65.6-46.7174.8-176.1-177.3175.6-172.20111.3E33 G34 I35 L39 K40 D41E33-K37 PolarHBondContact O-N 2.93Å; E33-K37 VanDerWaalsContact O-N 3.12Å; G34-K37 WeakPolarHBondContact O-CB 3.3Å; G34-K37 PolarHBondContact O-N 3.12Å; G34-K37 VanDerWaalsContact O-N 3.16Å; I35-K37 VanDerWaalsContact C-N 3.26Å; I35-K37 PolarHBondContact O-N 3.46Å; K37-L39 PolarHBondContact O-N 2.99Å; K37-K40 WeakPolarHBondContact O-CB 3.32Å; K37-K40 PolarHBondContact O-N 3.29Å; K37-D41 PolarHBondContact O-N 3.46Å
38E98.6Very high98.7Very high132 Ų132106.4 Ų106.462%0.61753%0.528SS*.Hα-helixtrans-60.5-44.7177.5-69.6175.7-165.700111.7G34 I35 K40 D41 V42G34-E38 PolarHBondContact O-N 3.32Å; I35-E38 PolarHBondContact O-N 3.25Å; E38-K40 VanDerWaalsContact C-N 3.28Å; E38-K40 PolarHBondContact O-N 3.1Å; E38-D41 WeakPolarHBondContact O-CB 3.43Å; E38-D41 PolarHBondContact O-N 3.08Å; E38-D41 VanDerWaalsContact O-N 3.1Å; E38-V42 WeakPolarHBondContact O-CG2 3.4Å; E38-V42 PolarHBondContact O-N 3.35Å
39L98.8Very high98.7Very high105 Ų105107.3 Ų107.355%0.5553%0.533SS..Hα-helixtrans-60.9-37.5175.9-73.9174.7000112.5I35 K37 D41 V42 A43I35-L39 HydrophobicContact CG2-CD1 4.02Å; I35-L39 HydrophobicContact CG2-CG 4.31Å; I35-L39 WeakPolarHBondContact O-CG 3.34Å; I35-L39 PolarHBondContact O-N 3.44Å; K37-L39 PolarHBondContact O-N 2.99Å; L39-D41 VanDerWaalsContact C-N 3.34Å; L39-V42 PolarHBondContact O-N 3.2Å; L39-A43 WeakPolarHBondContact O-CB 3.4Å; L39-A43 PolarHBondContact O-N 3.48Å
40K98.7Very high98.6Very high156 Ų156106.8 Ų106.868%0.67853%0.534SS*.Hα-helixtrans-65.3-39174.7-178.1-179.3176.2178.30111.8L36 K37 E38 A43 K44L36-K40 WeakPolarHBondContact O-CB 3.2Å; L36-K40 PolarHBondContact O-N 3.16Å; L36-K40 VanDerWaalsContact O-N 3.08Å; K37-K40 WeakPolarHBondContact O-CB 3.32Å; K37-K40 PolarHBondContact O-N 3.29Å; E38-K40 VanDerWaalsContact C-N 3.28Å; E38-K40 PolarHBondContact O-N 3.1Å; K40-A43 PolarHBondContact O-N 3.41Å; K40-K44 PolarHBondContact O-N 3.19Å; K40-K44 VanDerWaalsContact O-N 3.1Å
41D98.8Very high98.6Very high78 Ų78104.5 Ų104.542%0.41753%0.53SS..Hα-helixtrans-65.8-44.6176.3-69.8-21.2000110.4K37 E38 L39 A43 K44 E45K37-D41 PolarHBondContact O-N 3.46Å; E38-D41 WeakPolarHBondContact O-CB 3.43Å; E38-D41 PolarHBondContact O-N 3.08Å; E38-D41 VanDerWaalsContact O-N 3.1Å; L39-D41 VanDerWaalsContact C-N 3.34Å; D41-A43 VanDerWaalsContact C-N 3.34Å; D41-A43 PolarHBondContact O-N 3.01Å; D41-K44 WeakPolarHBondContact O-CB 3.37Å; D41-K44 PolarHBondContact O-N 3.16Å; D41-K44 VanDerWaalsContact O-N 3.09Å; D41-E45 PolarHBondContact O-N 2.91Å
42V98.8Very high98.6Very high71 Ų71104.2 Ų104.243%0.4353%0.529SS..Hα-helixtrans-57.3-45.4172.9172.80000111.6E38 L39 K44 E45 L46E38-V42 WeakPolarHBondContact O-CG2 3.4Å; E38-V42 PolarHBondContact O-N 3.35Å; L39-V42 PolarHBondContact O-N 3.2Å; V42-K44 PolarHBondContact O-N 3.12Å; V42-E45 PolarHBondContact O-N 3.41Å; V42-L46 HydrophobicContact CG1-CD1 4.11Å; V42-L46 HydrophobicContact CG1-CG 4.31Å; V42-L46 WeakPolarHBondContact O-CG 3.47Å; V42-L46 PolarHBondContact O-N 3.04Å
43A98.8Very high98.5Very high57 Ų57103.8 Ų103.847%0.47153%0.526SS..Hα-helixtrans-61.8-33.9178.400000112.6L39 K40 D41 R47L39-A43 WeakPolarHBondContact O-CB 3.4Å; L39-A43 PolarHBondContact O-N 3.48Å; K40-A43 PolarHBondContact O-N 3.41Å; D41-A43 VanDerWaalsContact C-N 3.34Å; D41-A43 PolarHBondContact O-N 3.01Å; A43-R47 PolarHBondContact O-N 3.35Å; A43-R47 VanDerWaalsContact O-N 3.12Å
44K98.7Very high98.4Very high150 Ų150102.5 Ų102.565%0.65252%0.523SS*.Hα-helixtrans-69.3-43.9174.8-174.4-172173.5-166.90111.3K40 D41 V42 R47 E48K40-K44 PolarHBondContact O-N 3.19Å; K40-K44 VanDerWaalsContact O-N 3.1Å; D41-K44 WeakPolarHBondContact O-CB 3.37Å; D41-K44 PolarHBondContact O-N 3.16Å; D41-K44 VanDerWaalsContact O-N 3.09Å; V42-K44 PolarHBondContact O-N 3.12Å; K44-R47 PolarHBondContact O-N 3.46Å; K44-E48 PolarHBondContact O-N 2.92Å
45E98.6Very high98.3Very high125 Ų125108.9 Ų108.958%0.58454%0.542SS*.Hα-helixtrans-62.3-44176.3-70180179.400111.5D41 V42 R47 E48 V49D41-E45 PolarHBondContact O-N 2.91Å; V42-E45 PolarHBondContact O-N 3.41Å; E45-R47 VanDerWaalsContact C-N 3.31Å; E45-R47 PolarHBondContact O-N 3.48Å; E45-E48 WeakPolarHBondContact O-CB 3.4Å; E45-E48 PolarHBondContact O-N 3.17Å; E45-E48 VanDerWaalsContact O-N 3.09Å; E45-V49 WeakPolarHBondContact O-CG2 3.42Å; E45-V49 PolarHBondContact O-N 3.29Å
46L98.8Very high98.1Very high107 Ų107111 Ų11156%0.5655%0.554SS**Hα-helixtrans-59.8-41.9175.4-72.1177000111.7V42 E48 V49 V50V42-L46 HydrophobicContact CG1-CD1 4.11Å; V42-L46 HydrophobicContact CG1-CG 4.31Å; V42-L46 WeakPolarHBondContact O-CG 3.47Å; V42-L46 PolarHBondContact O-N 3.04Å; L46-E48 VanDerWaalsContact C-N 3.3Å; L46-E48 PolarHBondContact O-N 3.32Å; L46-V49 PolarHBondContact O-N 2.98Å; L46-V50 WeakPolarHBondContact O-CG2 3.39Å; L46-V50 PolarHBondContact O-N 2.95Å
47R98.4Very high97.8Very high204 Ų204107.8 Ų107.877%0.7754%0.539SS*.Hα-helixtrans-62.5-38174.8-173.9175.3-61.6-163.1-2.1112.2A43 K44 E45 G51A43-R47 PolarHBondContact O-N 3.35Å; A43-R47 VanDerWaalsContact O-N 3.12Å; K44-R47 PolarHBondContact O-N 3.46Å; E45-R47 VanDerWaalsContact C-N 3.31Å; E45-R47 PolarHBondContact O-N 3.48Å; R47-G51 PolarHBondContact O-N 3.3Å
48E98.6Very high97.5Very high118 Ų118104.8 Ų104.855%0.55154%0.536SS*.Hα-helixtrans-65.1-46.4174.8-175.2179.4165.300111.3K44 E45 L46 V50 G51 Q52K44-E48 PolarHBondContact O-N 2.92Å; E45-E48 WeakPolarHBondContact O-CB 3.4Å; E45-E48 PolarHBondContact O-N 3.17Å; E45-E48 VanDerWaalsContact O-N 3.09Å; L46-E48 VanDerWaalsContact C-N 3.3Å; L46-E48 PolarHBondContact O-N 3.32Å; E48-V50 PolarHBondContact O-N 3.24Å; E48-G51 CarbonylContact O-C 3.59Å; E48-G51 PolarHBondContact O-N 3.12Å; E48-Q52 WeakPolarHBondContact O-CG 3.41Å; E48-Q52 PolarHBondContact O-N 3.01Å; E48-Q52 PolarHBondContact OE1-NE2 2.98Å
49V98.6Very high97.1Very high73 Ų73105.6 Ų105.644%0.44255%0.545SS..Hα-helixtrans-61-45.2177.4171.90000111.2E45 L46 G51 Q52 I53E45-V49 WeakPolarHBondContact O-CG2 3.42Å; E45-V49 PolarHBondContact O-N 3.29Å; L46-V49 PolarHBondContact O-N 2.98Å; V49-G51 VanDerWaalsContact C-N 3.35Å; V49-G51 PolarHBondContact O-N 3.09Å; V49-Q52 WeakPolarHBondContact O-CB 3.34Å; V49-Q52 PolarHBondContact O-N 3.19Å; V49-Q52 VanDerWaalsContact O-N 3.16Å; V49-I53 HydrophobicContact CG1-CD1 4.25Å; V49-I53 WeakPolarHBondContact O-CG1 3.39Å; V49-I53 PolarHBondContact O-N 3.3Å
50V97.9Very high96.3Very high74 Ų74106.4 Ų106.445%0.44854%0.544SS..Hα-helixtrans-61.1-44.9174.7172.30000110.6L46 E48 Q52 I53 D54L46-V50 WeakPolarHBondContact O-CG2 3.39Å; L46-V50 PolarHBondContact O-N 2.95Å; E48-V50 PolarHBondContact O-N 3.24Å; V50-Q52 PolarHBondContact O-N 3.43Å; V50-I53 CarbonylContact O-C 3.57Å; V50-I53 WeakPolarHBondContact O-CA 3.45Å; V50-I53 WeakPolarHBondContact O-CB 3.49Å; V50-I53 PolarHBondContact O-N 3.31Å; V50-D54 PolarHBondContact O-N 3.15Å
51G98.1Very high95Very high36 Ų36105.4 Ų105.437%0.37155%0.546SS..Hα-helixtrans-61.5-31.8175.600000113.5R47 E48 V49 K55R47-G51 PolarHBondContact O-N 3.3Å; E48-G51 CarbonylContact O-C 3.59Å; E48-G51 PolarHBondContact O-N 3.12Å; V49-G51 VanDerWaalsContact C-N 3.35Å; V49-G51 PolarHBondContact O-N 3.09Å; G51-K55 VanDerWaalsContact O-CB 3.27Å; G51-K55 WeakPolarHBondContact O-CB 3.35Å; G51-K55 PolarHBondContact O-N 2.93Å
52Q98.3Very high93.3Very high111 Ų111109.1 Ų109.152%0.51956%0.559SS.*Hα-helixtrans-69.1-40.7171.8-70.217516.400111.7E48 V49 V50 K55 L56E48-Q52 WeakPolarHBondContact O-CG 3.41Å; E48-Q52 PolarHBondContact O-N 3.01Å; E48-Q52 PolarHBondContact OE1-NE2 2.98Å; V49-Q52 WeakPolarHBondContact O-CB 3.34Å; V49-Q52 PolarHBondContact O-N 3.19Å; V49-Q52 VanDerWaalsContact O-N 3.16Å; V50-Q52 PolarHBondContact O-N 3.43Å; Q52-K55 PolarHBondContact O-N 2.87Å; Q52-L56 WeakPolarHBondContact O-CB 3.28Å; Q52-L56 PolarHBondContact O-N 2.92Å
53I97.3Very high91.6Very high89 Ų89112.2 Ų112.246%0.45657%0.573SS.*Hα-helixtrans-61-55173.9-67.3167.2000109.2V49 V50 K55 L56 T57V49-I53 HydrophobicContact CG1-CD1 4.25Å; V49-I53 WeakPolarHBondContact O-CG1 3.39Å; V49-I53 PolarHBondContact O-N 3.3Å; V50-I53 CarbonylContact O-C 3.57Å; V50-I53 WeakPolarHBondContact O-CA 3.45Å; V50-I53 WeakPolarHBondContact O-CB 3.49Å; V50-I53 PolarHBondContact O-N 3.31Å; I53-K55 PolarHBondContact O-N 3.43Å; I53-L56 CarbonylContact O-C 3.49Å; I53-L56 WeakPolarHBondContact O-CA 3.46Å; I53-L56 WeakPolarHBondContact O-CB 3.27Å; I53-L56 PolarHBondContact O-N 3.09Å; I53-T57 HydrophobicContact CG2-CG2 3.99Å; I53-T57 WeakPolarHBondContact O-CB 3.47Å; I53-T57 WeakPolarHBondContact O-CG2 3.33Å; I53-T57 PolarHBondContact O-N 3.1Å; I53-T57 PolarHBondContact O-OG1 2.98Å
54D96.1Very high89.7Confident94 Ų94116.3 Ų116.350%0.50359%0.586SS.*Hα-helixtrans-54.7-41.6179.8-68.6-14.9000111.9V50 T57 S58V50-D54 PolarHBondContact O-N 3.15Å; D54-T57 WeakPolarHBondContact CA-OG1 3.42Å; D54-T57 PolarHBondContact O-N 2.89Å; D54-T57 PolarHBondContact O-OG1 3.39Å; D54-S58 WeakPolarHBondContact O-CA 3.48Å; D54-S58 VanDerWaalsContact O-CB 3.25Å; D54-S58 WeakPolarHBondContact O-CB 3.49Å; D54-S58 PolarHBondContact O-N 3.25Å
55K96.2Very high87.7Confident162 Ų162117.4 Ų117.470%0.70459%0.594SS**Hα-helixtrans-63-44.2175.6-174.470.8177.3-72.20111.7G51 Q52 I53 T57 S58G51-K55 VanDerWaalsContact O-CB 3.27Å; G51-K55 WeakPolarHBondContact O-CB 3.35Å; G51-K55 PolarHBondContact O-N 2.93Å; Q52-K55 PolarHBondContact O-N 2.87Å; I53-K55 PolarHBondContact O-N 3.43Å; K55-T57 VanDerWaalsContact C-N 3.29Å; K55-S58 PolarHBondContact O-OG 3.06Å
56L95.3Very high85.8Confident132 Ų132115.8 Ų115.869%0.69159%0.594SS**Hα-helixtrans-70.6-29.3178.4-177.760.6000111.8Q52 I53 F60Q52-L56 WeakPolarHBondContact O-CB 3.28Å; Q52-L56 PolarHBondContact O-N 2.92Å; I53-L56 CarbonylContact O-C 3.49Å; I53-L56 WeakPolarHBondContact O-CA 3.46Å; I53-L56 WeakPolarHBondContact O-CB 3.27Å; I53-L56 PolarHBondContact O-N 3.09Å; L56-F60 WeakPolarHBondContact O-CE2 3.25Å
57T92.9Very high84.1Confident48 Ų48115.7 Ų115.729%0.29459%0.594SS.*Hα-helixtrans-96.5-9.1-17659.40000114.5I53 D54 K55 D59 F60I53-T57 HydrophobicContact CG2-CG2 3.99Å; I53-T57 WeakPolarHBondContact O-CB 3.47Å; I53-T57 WeakPolarHBondContact O-CG2 3.33Å; I53-T57 PolarHBondContact O-N 3.1Å; I53-T57 PolarHBondContact O-OG1 2.98Å; D54-T57 WeakPolarHBondContact CA-OG1 3.42Å; D54-T57 PolarHBondContact O-N 2.89Å; D54-T57 PolarHBondContact O-OG1 3.39Å; K55-T57 VanDerWaalsContact C-N 3.29Å; T57-D59 PolarHBondContact O-N 3.22Å; T57-D59 VanDerWaalsContact O-N 3.15Å; T57-F60 VanDerWaalsContact CA-CD2 3.47Å; T57-F60 HydrophobicContact CG2-CD2 4.07Å; T57-F60 HydrophobicContact CG2-CE2 4.22Å; T57-F60 WeakPolarHBondContact O-CB 3.4Å; T57-F60 PolarHBondContact O-N 3.14Å
58S91.9Very high82Confident79 Ų79112.9 Ų112.955%0.55259%0.594SS**THydrogen-bonded Turntrans-59.6-25-178.459.20000114.9D54 K55D54-S58 WeakPolarHBondContact O-CA 3.48Å; D54-S58 VanDerWaalsContact O-CB 3.25Å; D54-S58 WeakPolarHBondContact O-CB 3.49Å; D54-S58 PolarHBondContact O-N 3.25Å; K55-S58 PolarHBondContact O-OG 3.06Å
59D89.1Confident80.1Confident148 Ų148117 Ų11779%0.79161%0.605SS**THydrogen-bonded Turntrans-89.9-6.1177.7-64.1-33.6000112.8T57 D61T57-D59 PolarHBondContact O-N 3.22Å; T57-D59 VanDerWaalsContact O-N 3.15Å; D59-D61 PolarHBondContact O-N 3.22Å
60F81.9Confident78.1Confident123 Ų123116.9 Ų116.954%0.53961%0.605SS.*  trans-81101171-62.2-68.9000108.9L56 T57 F62L56-F60 WeakPolarHBondContact O-CE2 3.25Å; T57-F60 VanDerWaalsContact CA-CD2 3.47Å; T57-F60 HydrophobicContact CG2-CD2 4.07Å; T57-F60 HydrophobicContact CG2-CE2 4.22Å; T57-F60 WeakPolarHBondContact O-CB 3.4Å; T57-F60 PolarHBondContact O-N 3.14Å; F60-F62 HydrophobicContact CB-CD2 3.96Å; F60-F62 HydrophobicContact CB-CE2 3.48Å; F60-F62 VanDerWaalsContact CB-CE2 3.48Å; F60-F62 HydrophobicContact CB-CZ 3.83Å; F60-F62 HydrophobicContact CG-CE2 4.39Å; F60-F62 HydrophobicContact CG-CZ 4.37Å; F60-F62 WeakPolarHBondContact O-CD2 3.46Å; F60-F62 PolarHBondContact O-N 3.5Å; F60-F62 VanDerWaalsContact O-N 3.09Å
61D72.2Confident76Confident135 Ų135117.3 Ų117.372%0.72261%0.607SS**  trans-74.892.3166.4-162.36000108.1D59 D63D59-D61 PolarHBondContact O-N 3.22Å; D61-D63 PolarHBondContact O-N 3.04Å
62F63.1Low73.9Confident156 Ų156119.8 Ų119.868%0.68462%0.624SS**  trans-77.344170.4-62.6-86.4000110.1F60 L64F60-F62 HydrophobicContact CB-CD2 3.96Å; F60-F62 HydrophobicContact CB-CE2 3.48Å; F60-F62 VanDerWaalsContact CB-CE2 3.48Å; F60-F62 HydrophobicContact CB-CZ 3.83Å; F60-F62 HydrophobicContact CG-CE2 4.39Å; F60-F62 HydrophobicContact CG-CZ 4.37Å; F60-F62 WeakPolarHBondContact O-CD2 3.46Å; F60-F62 PolarHBondContact O-N 3.5Å; F60-F62 VanDerWaalsContact O-N 3.09Å; F62-L64 PolarHBondContact O-N 2.93Å
63D62.9Low71.7Confident135 Ų135120.8 Ų120.872%0.72264%0.638SS**  trans-60.197.8165.1-121.9-0.7000105.2D61 E65D61-D63 PolarHBondContact O-N 3.04Å; D63-E65 PolarHBondContact O-N 3.49Å
64L59.1Low69.6Low143 Ų143120.5 Ų120.575%0.74965%0.649SS**  trans-61.488.5177.9-88.8104.2000106.8F62 P66F62-L64 PolarHBondContact O-N 2.93Å; L64-P66 VanDerWaalsContact O-CD 3.24Å; L64-P66 WeakPolarHBondContact O-CD 3.43Å
65E56.4Low67.1Low173 Ų173121.2 Ų121.281%0.80866%0.661SS**  trans-63.5116.4147.9-157.5166.4-169.800104.8D63 D67D63-E65 PolarHBondContact O-N 3.49Å; E65-D67 PolarHBondContact O-N 3.2Å
66P58.6Low64.5Low91 Ų91119 Ų11959%0.59167%0.666SS**SBendtrans-61.2-0.1-169-26.435.6000116.3L64L64-P66 VanDerWaalsContact O-CD 3.24Å; L64-P66 WeakPolarHBondContact O-CD 3.43Å
67D62.6Low61.9Low106 Ų106119.6 Ų119.657%0.56768%0.675SS**  trans-129.2105.1-160.9-69.2-43.5000110.9E65E65-D67 PolarHBondContact O-N 3.2Å
68D55.3Low59.1Low144 Ų144123 Ų12377%0.7770%0.701SS**SBendtrans-173.7-38.5140-99.9-12.3000111.9
69W59.2Low56.6Low204 Ų204124.6 Ų124.677%0.77371%0.712SS**SBendtrans-82.9-24.2-178.866.1-87.6000113.5
70T56.5Low54Low72 Ų72122.9 Ų122.944%0.44271%0.712SS.*SBendtrans-82.5-19.9179.1-45.40000113
71V52Low52.7Low82 Ų82123.7 Ų123.750%0.49772%0.717SS.*G310 helixtrans-78.9-22.2-175.6-167.10000112.4T73 A74V71-T73 PolarHBondContact O-N 2.81Å; V71-T73 VanDerWaalsContact O-N 3.16Å; V71-A74 PolarHBondContact O-N 3.02Å
72A54.8Low51.7Low88 Ų88127.8 Ų127.873%0.72772%0.723SS**G310 helixtrans-69.8-12.9-175.200000114.6
73T52.2Low50.9Low133 Ų133123.8 Ų123.882%0.81673%0.725SS**G310 helixtrans-95.1-1.8-179.9-210000114.1V71V71-T73 PolarHBondContact O-N 2.81Å; V71-T73 VanDerWaalsContact O-N 3.16Å
74A52.5Low50.1Low83 Ų83126.2 Ų126.269%0.68674%0.738SS**SBendtrans-118.656.1177.500000111.7V71V71-A74 PolarHBondContact O-N 3.02Å
75S43.4Very low49.4Very low108 Ų108121.6 Ų121.676%0.75572%0.724SS**  trans-141.470.8163.9-83.60000110.7
76S42.2Very low48.9Very low117 Ų117122.6 Ų122.682%0.81873%0.729SS**  trans-164.866152.9-80.70000110.5
77T40.6Very low48.5Very low143 Ų143122.2 Ų122.288%0.87773%0.733SS**  trans-132.378.6155.948.80000109S79T77-S79 PolarHBondContact O-N 3.27Å
78S33.5Very low47.6Very low120 Ų120125 Ų12584%0.83974%0.741SS**  trans-68.3108158.5-175.50000108.3
79S39.4Very low47.3Very low112 Ų112129.3 Ų129.378%0.78375%0.746SS**  trans60.9107.7142.5-152.10000119.6T77T77-S79 PolarHBondContact O-N 3.27Å
80S36.3Very low46.7Very low112 Ų112125.5 Ų125.578%0.78374%0.74SS**  177.7131110.5-176.60000110
81E53.4Low46.2Very low140 Ų140128.5 Ų128.565%0.65475%0.753SS**  trans-57.9156.4175.457.4158.6-157.300113.2
82R51.1Low45.9Very low221 Ų221132.5 Ų132.583%0.83476%0.764SS**  trans104.4104.1166.9-57.1167.4-162.8-146.31.5114.9
83G45.8Very low45.6Very low72 Ų72135.7 Ų135.774%0.74277%0.769SS**  trans130.898.1153.500000114.9
84L47.7Very low45.5Very low187 Ų187132.7 Ų132.798%0.97975%0.747SS**  37.890.5129-134.9160.7000115.7
85G43.5Very low45.5Very low45 Ų45132 Ų13246%0.46474%0.742SS.*  trans-167.240.5179.600000114A87G85-A87 VanDerWaalsContact C-N 3.31Å; G85-A87 PolarHBondContact O-N 3.49Å
86E47.1Very low46Very low195 Ų195132.3 Ų132.391%0.91174%0.735SS**  trans-92.659.7173.5-164.5177.8-166.300110.1
87A49.1Very low46.8Very low82 Ų82131.7 Ų131.768%0.67873%0.726SS**SBendtrans-142.27.8179.600000114.4G85G85-A87 VanDerWaalsContact C-N 3.31Å; G85-A87 PolarHBondContact O-N 3.49Å
88F44.5Very low47.3Very low165 Ų165131.4 Ų131.472%0.72472%0.719SS**  trans-130.925.5-179.1-14.3-80000112.8L90F88-L90 PolarHBondContact O-N 3.39Å
89R49.3Very low48Very low235 Ų235129 Ų12989%0.88770%0.702SS**  trans-73.474.4157.6-68-133.683.4-173.85.3107.2D91R89-D91 PolarHBondContact O-N 2.88Å
90L45Very low48.4Very low123 Ų123129.4 Ų129.464%0.64470%0.695SS**  trans-49.6120.3179.5-169.666.1000108.8F88 F92F88-L90 PolarHBondContact O-N 3.39Å; L90-F92 HydrophobicContact CD1-CD2 3.98Å; L90-F92 HydrophobicContact CD1-CE2 4.36Å; L90-F92 HydrophobicContact CD2-CB 4.09Å; L90-F92 HydrophobicContact CD2-CD2 3.15Å; L90-F92 HydrophobicContact CD2-CE2 3.51Å; L90-F92 HydrophobicContact CD2-CG 3.7Å; L90-F92 HydrophobicContact CD2-CZ 4.37Å; L90-F92 HydrophobicContact CG-CB 4.01Å; L90-F92 HydrophobicContact CG-CD2 3.32Å; L90-F92 HydrophobicContact CG-CE2 4.03Å; L90-F92 HydrophobicContact CG-CG 3.99Å; L90-F92 PolarHBondContact O-N 3.3Å
91D46.1Very low49Very low135 Ų135128.4 Ų128.472%0.72269%0.688SS**  trans-61.940.9169.8-58.4-66.3000112.5R89 L93 N94R89-D91 PolarHBondContact O-N 2.88Å; D91-L93 PolarHBondContact O-N 3.29Å; D91-N94 PolarHBondContact O-N 3.43Å
92F47.1Very low49.1Very low166 Ų166131.7 Ų131.773%0.72870%0.695SS**THydrogen-bonded Turntrans-76.9-0.9-176.4-122.8-114.5000113.4L90L90-F92 HydrophobicContact CD1-CD2 3.98Å; L90-F92 HydrophobicContact CD1-CE2 4.36Å; L90-F92 HydrophobicContact CD2-CB 4.09Å; L90-F92 HydrophobicContact CD2-CD2 3.15Å; L90-F92 HydrophobicContact CD2-CE2 3.51Å; L90-F92 HydrophobicContact CD2-CG 3.7Å; L90-F92 HydrophobicContact CD2-CZ 4.37Å; L90-F92 HydrophobicContact CG-CB 4.01Å; L90-F92 HydrophobicContact CG-CD2 3.32Å; L90-F92 HydrophobicContact CG-CE2 4.03Å; L90-F92 HydrophobicContact CG-CG 3.99Å; L90-F92 PolarHBondContact O-N 3.3Å
93L48.6Very low49.4Very low156 Ų156125.9 Ų125.982%0.81768%0.677SS**THydrogen-bonded Turntrans-125.525.1175.6-62.2176.6000111.6D91 A95D91-L93 PolarHBondContact O-N 3.29Å; L93-A95 VanDerWaalsContact C-N 3.29Å; L93-A95 PolarHBondContact O-N 3.16Å
94N49.3Very low49.9Very low69 Ų69129.2 Ų129.237%0.36967%0.671SS.*  trans-72.392.8171.4-161.5-16.6000108.9D91 D96 V97D91-N94 PolarHBondContact O-N 3.43Å; N94-D96 PolarHBondContact O-N 2.87Å; N94-D96 WeakPolarHBondContact OD1-CB 3.42Å; N94-D96 PolarHBondContact OD1-N 3.41Å; N94-D96 PolarHBondContact OD1-OD2 3.41Å; N94-V97 HydrophobicContact CB-CG2 4.28Å; N94-V97 PolarHBondContact O-N 3.37Å; N94-V97 VanDerWaalsContact O-N 3.08Å
95A52.4Low49.8Very low69 Ų69123.9 Ų123.957%0.5765%0.649SS**Hα-helixtrans-53.3-24.2178.500000112.5L93 V97 L98 S99L93-A95 VanDerWaalsContact C-N 3.29Å; L93-A95 PolarHBondContact O-N 3.16Å; A95-V97 VanDerWaalsContact C-N 3.35Å; A95-V97 PolarHBondContact O-N 3.16Å; A95-L98 PolarHBondContact O-N 2.85Å; A95-S99 VanDerWaalsContact O-CB 3.28Å; A95-S99 WeakPolarHBondContact O-CB 3.42Å; A95-S99 PolarHBondContact O-N 2.95Å
96D53.2Low50.4Low114 Ų114124.8 Ų124.861%0.6165%0.648SS**Hα-helixtrans-67.5-32.9179.2-60.9-28.7000112.2N94 D100N94-D96 PolarHBondContact O-N 2.87Å; N94-D96 WeakPolarHBondContact OD1-CB 3.42Å; N94-D96 PolarHBondContact OD1-N 3.41Å; N94-D96 PolarHBondContact OD1-OD2 3.41Å; D96-D100 PolarHBondContact O-N 3.4Å
97V59.8Low50.6Low104 Ų104123.7 Ų123.763%0.6364%0.636SS**Hα-helixtrans-74.9-29.7-179.3-178.80000112.2N94 A95N94-V97 HydrophobicContact CB-CG2 4.28Å; N94-V97 PolarHBondContact O-N 3.37Å; N94-V97 VanDerWaalsContact O-N 3.08Å; A95-V97 VanDerWaalsContact C-N 3.35Å; A95-V97 PolarHBondContact O-N 3.16Å
98L51.1Low51Low138 Ų138125.4 Ų125.472%0.72363%0.634SS**Hα-helixtrans-88.4-26176.9-63.6178.4000112.2A95 D100 S101A95-L98 PolarHBondContact O-N 2.85Å; L98-D100 VanDerWaalsContact C-N 3.34Å; L98-S101 PolarHBondContact O-N 3.23Å
99S48.9Very low51.2Low69 Ų69125 Ų12548%0.48363%0.634SS.*Hα-helixtrans-64.5-38174.6-167.90000111.8A95 S101 W102A95-S99 VanDerWaalsContact O-CB 3.28Å; A95-S99 WeakPolarHBondContact O-CB 3.42Å; A95-S99 PolarHBondContact O-N 2.95Å; S99-S101 PolarHBondContact O-N 3.38Å; S99-W102 PolarHBondContact O-N 3.2Å; S99-W102 VanDerWaalsContact O-N 3.16Å
100D46.4Very low51.5Low121 Ų121116.6 Ų116.665%0.64762%0.615SS**Hα-helixtrans-68-17.9179.7-80.3-11.1000114.1D96 L98D96-D100 PolarHBondContact O-N 3.4Å; L98-D100 VanDerWaalsContact C-N 3.34Å
101S50.2Low52Low91 Ų91113.6 Ų113.664%0.63661%0.608SS**Hα-helixtrans-78-26175.6-165.20000112.3L98 S99L98-S101 PolarHBondContact O-N 3.23Å; S99-S101 PolarHBondContact O-N 3.38Å
102W53.9Low52.3Low209 Ų209109.1 Ų109.179%0.79259%0.594SS**Hα-helixtrans-83-32-179.6-164.5-93.3000112.8S99 F104 C105S99-W102 PolarHBondContact O-N 3.2Å; S99-W102 VanDerWaalsContact O-N 3.16Å; W102-F104 PolarHBondContact O-N 2.96Å; W102-C105 PolarHBondContact O-N 3.15Å
103E58.7Low52.5Low98 Ų98103.7 Ų103.746%0.45858%0.58SS.*Hα-helixtrans-60.9-26173.4-73.5-70.7129.300112.6C105 S106 Y107E103-C105 VanDerWaalsContact C-N 3.27Å; E103-C105 PolarHBondContact O-N 2.9Å; E103-S106 VanDerWaalsContact O-CB 3.32Å; E103-S106 WeakPolarHBondContact O-CB 3.32Å; E103-S106 PolarHBondContact O-N 2.82Å; E103-S106 VanDerWaalsContact O-N 3.15Å; E103-Y107 WeakPolarHBondContact O-CD2 3.49Å
104F55.3Low52.6Low143 Ų14399.2 Ų99.263%0.62757%0.565SS**Hα-helixtrans-60.3-34.4176.5-176.6-105.1000113.1W102 L108W102-F104 PolarHBondContact O-N 2.96Å; F104-L108 HydrophobicContact CE1-CD1 4.44Å
105C46.3Very low52.6Low75 Ų7599 Ų9951%0.50757%0.573SS.*Hα-helixtrans-72.2-31.4177.3-68.90000112.5W102 E103 Y107 L108 E109W102-C105 PolarHBondContact O-N 3.15Å; E103-C105 VanDerWaalsContact C-N 3.27Å; E103-C105 PolarHBondContact O-N 2.9Å; C105-Y107 VanDerWaalsContact C-N 3.32Å; C105-Y107 PolarHBondContact O-N 2.76Å; C105-L108 PolarHBondContact O-N 3.44Å; C105-E109 PolarHBondContact O-N 2.95Å
106S55.7Low52.1Low63 Ų63106 Ų10644%0.44159%0.585SS.*Hα-helixtrans-62.3-37.8178.3-171.30000111.9E103 L108 E109 A110E103-S106 VanDerWaalsContact O-CB 3.32Å; E103-S106 WeakPolarHBondContact O-CB 3.32Å; E103-S106 PolarHBondContact O-N 2.82Å; E103-S106 VanDerWaalsContact O-N 3.15Å; S106-L108 PolarHBondContact O-N 3.33Å; S106-E109 PolarHBondContact O-N 2.93Å; S106-A110 PolarHBondContact O-N 2.93Å
107Y51.3Low51.6Low172 Ų172111.3 Ų111.368%0.67560%0.596SS**Hα-helixtrans-64-36.6177.4-74-76.9000113.5E103 C105 A111E103-Y107 WeakPolarHBondContact O-CD2 3.49Å; C105-Y107 VanDerWaalsContact C-N 3.32Å; C105-Y107 PolarHBondContact O-N 2.76Å; Y107-A111 PolarHBondContact O-N 3.37Å; Y107-A111 VanDerWaalsContact O-N 3.12Å
108L57.8Low50.4Low118 Ų118111.2 Ų111.262%0.61860%0.6SS**Hα-helixtrans-72.1-36.3176.9-78.1164.1000112.1F104 C105 S106 A111 G112F104-L108 HydrophobicContact CE1-CD1 4.44Å; C105-L108 PolarHBondContact O-N 3.44Å; S106-L108 PolarHBondContact O-N 3.33Å; L108-A111 PolarHBondContact O-N 3.29Å; L108-G112 PolarHBondContact O-N 3.07Å; L108-G112 VanDerWaalsContact O-N 3.16Å
109E48.4Very low49.9Very low156 Ų156109.4 Ų109.473%0.72960%0.599SS**Hα-helixtrans-67.5-38.4175.1-174161.1-157.200111.9C105 S106 G112 A113C105-E109 PolarHBondContact O-N 2.95Å; S106-E109 PolarHBondContact O-N 2.93Å; E109-G112 PolarHBondContact O-N 3.01Å; E109-A113 PolarHBondContact O-N 2.88Å; E109-A113 VanDerWaalsContact O-N 3.1Å
110A55.3Low49.1Very low59 Ų59115 Ų11549%0.48862%0.618SS.*Hα-helixtrans-66.9-38.2174.400000113.2S106 A113 A114S106-A110 PolarHBondContact O-N 2.93Å; A110-A113 PolarHBondContact O-N 3.08Å; A110-A114 PolarHBondContact O-N 3.46Å
111A55.5Low48.4Very low60 Ų60117.9 Ų117.950%0.49663%0.627SS.*Hα-helixtrans-66.5-38.2176.600000112.2Y107 L108 A114 A115Y107-A111 PolarHBondContact O-N 3.37Å; Y107-A111 VanDerWaalsContact O-N 3.12Å; L108-A111 PolarHBondContact O-N 3.29Å; A111-A114 PolarHBondContact O-N 3.44Å; A111-A115 PolarHBondContact O-N 3.08Å; A111-A115 VanDerWaalsContact O-N 3.15Å
112G53.8Low47.8Very low41 Ų41119.2 Ų119.242%0.42363%0.634SS.*Hα-helixtrans-66.5-35.5173.300000113.4L108 E109 R116L108-G112 PolarHBondContact O-N 3.07Å; L108-G112 VanDerWaalsContact O-N 3.16Å; E109-G112 PolarHBondContact O-N 3.01Å; G112-R116 WeakPolarHBondContact O-CG 3.24Å; G112-R116 PolarHBondContact O-N 2.76Å
113A51.8Low46.6Very low53 Ų53112.6 Ų112.644%0.43863%0.63SS.*Hα-helixtrans-74.2-30.6176.500000113.3E109 A110E109-A113 PolarHBondContact O-N 2.88Å; E109-A113 VanDerWaalsContact O-N 3.1Å; A110-A113 PolarHBondContact O-N 3.08Å
114A50.3Low45.2Very low61 Ų61114.6 Ų114.650%0.50464%0.644SS.*Hα-helixtrans-70.9-40.6173.500000112A110 A111 R116 R117A110-A114 PolarHBondContact O-N 3.46Å; A111-A114 PolarHBondContact O-N 3.44Å; A114-R116 PolarHBondContact O-N 2.92Å; A114-R117 PolarHBondContact O-N 3.02Å; A114-R117 VanDerWaalsContact O-N 3.09Å
115A48.6Very low44.2Very low66 Ų66116 Ų11655%0.54566%0.657SS.*Hα-helixtrans-65-24.5175.400000113.4A111 R117 S118A111-A115 PolarHBondContact O-N 3.08Å; A111-A115 VanDerWaalsContact O-N 3.15Å; A115-R117 VanDerWaalsContact C-N 3.33Å; A115-S118 PolarHBondContact O-OG 3.09Å
116R43Very low43.5Very low215 Ų215122.8 Ų122.881%0.81167%0.672SS**THydrogen-bonded Turntrans-77-15.4174.4-74.9-87.9174.8161.4-4.6113.7G112 A114G112-R116 WeakPolarHBondContact O-CG 3.24Å; G112-R116 PolarHBondContact O-N 2.76Å; A114-R116 PolarHBondContact O-N 2.92Å
117R41.8Very low42.7Very low226 Ų226128.7 Ų128.785%0.85369%0.693SS**THydrogen-bonded Turntrans-941.4180-76.9-157.1-93170.8-8.4114.9A114 A115A114-R117 PolarHBondContact O-N 3.02Å; A114-R117 VanDerWaalsContact O-N 3.09Å; A115-R117 VanDerWaalsContact C-N 3.33Å
118S35.4Very low41.5Very low102 Ų102127.2 Ų127.271%0.71370%0.697SS**SBendtrans-106.219.2176.758.10000113.9A115A115-S118 PolarHBondContact O-OG 3.09Å
119S40.3Very low40.4Very low100 Ų100128.3 Ų128.370%0.69970%0.703SS**  trans-130.749.2-177-177.50000112.8
120E31.6Very low39.3Very low186 Ų186127.1 Ų127.187%0.86970%0.701SS**  trans-14795.7166.7-67.6-165.1127.500111.4
121Q30.9Very low38.1Very low181 Ų181131.9 Ų131.985%0.84671%0.713SS**  trans168.5122.3130.2-97-83-50.400112.9
122P39.4Very low36.7Very low120 Ų120132.3 Ų132.378%0.77972%0.724SS**  trans-101.9131.9164.134.6-23.3000111.5
123G28.4Very low35.7Very low70 Ų70136.7 Ų136.772%0.72274%0.742SS**  trans-176.3101.8170.100000109.7
124D28.5Very low35Very low139 Ų139140.9 Ų140.974%0.74376%0.756SS**  77.294.299.9-165.625.7000113.5
125L34.2Very low34.2Very low173 Ų173143.8 Ų143.891%0.90677%0.769SS**  trans-147.1110.5145.9-83.7-175.3000110.1
126R32.3Very low33.3Very low218 Ų218145.5 Ų145.582%0.82377%0.773SS**  trans-78134.6160-62.6174.862.9-169.6-2109.5
127Q37.7Very low32.8Very low187 Ų187144.6 Ų144.687%0.87478%0.778SS**  trans-167.596.1153-100.5169.829.800105.1
128D27.1Very low32.2Very low140 Ų140139 Ų13975%0.74977%0.769SS**  74.8120.382.3-150.359.1000114.7
129L33.5Very low32.1Very low142 Ų142141.7 Ų141.774%0.74378%0.775SS**  trans72.6113154-115.764.3000123.3
130D26.3Very low31.6Very low130 Ų130143.1 Ų143.170%0.69578%0.78SS**  104.8148.5121.4-139.333.3000120.7
131Q29.6Very low32Very low160 Ų160139.4 Ų139.475%0.74877%0.772SS**  trans82.191.8172.6-108.286.471.300118.3
132G26.2Very low32.2Very low69 Ų69137 Ų13771%0.71177%0.77SS**  trans-68.4158.5151.700000112.2
133T34Very low32.6Very low133 Ų133136.9 Ų136.982%0.81677%0.768SS**  trans-163.4117.2144.2-68.90000108.2
134I36.2Very low33.7Very low141 Ų141138.9 Ų138.972%0.72377%0.769SS**  trans-74.3147161.7-66.8177.6000107.6
135P34.1Very low34.3Very low121 Ų121137.5 Ų137.579%0.78677%0.768SS**  -130.2116.1127.929.1-15.4000112.5
136T28.5Very low34.8Very low103 Ų103135.4 Ų135.463%0.63276%0.762SS**  trans-40.5126.1151-57.30000111.4
137Q33.1Very low35.3Very low196 Ų196131.4 Ų131.492%0.91676%0.762SS**  trans-137.697.8143.1-76.4-157.778.200110.6
138T28.5Very low35.7Very low107 Ų107127.2 Ų127.266%0.65676%0.759SS**  trans-57.9139.4153.9-38.50000109.3
139L32.9Very low36.7Very low159 Ų159125.1 Ų125.183%0.83276%0.756SS**  167.5114.9127-85.3167.8000111
140T30.9Very low37.4Very low131 Ų131124.5 Ų124.580%0.80476%0.757SS**  trans-119.2141.8153.8-46.70000106.2
141P38.8Very low38.1Very low108 Ų108129.3 Ų129.370%0.70177%0.768SS**  -143.2121.5126.430.1-12000114.4
142T36Very low39.4Very low131 Ų131127.5 Ų127.580%0.80477%0.772SS**  trans52161.3134.313.30000122.5
143P48.8Very low40.9Very low116 Ų116132.5 Ų132.575%0.75378%0.777SS**  trans-119.8-151.5-135.942.4-21.2000113.1
144P51.3Low41.4Very low113 Ų113134.4 Ų134.473%0.73478%0.779SS**  cis-116.3-171-42.942.6-26.3000111.3
145P39.7Very low42.1Very low110 Ų110135.3 Ų135.371%0.71479%0.785SS**  -147.4150.475.536.6-15.8000116.6
146T45.7Very low42.8Very low129 Ų129133.8 Ų133.879%0.79179%0.792SS**  trans27104.7134.9-51.40000119.3
147T43Very low43.8Very low134 Ų134132.4 Ų132.482%0.82280%0.798SS**  trans-141.851.514862.50000111.5S149T147-S149 VanDerWaalsContact C-N 3.31Å; T147-S149 PolarHBondContact O-N 3.21Å
148A46.4Very low44.7Very low98 Ų98130.5 Ų130.581%0.8179%0.793SS**  trans-83.377.6158.500000108.2
149S47.7Very low45.8Very low97 Ų97131.5 Ų131.568%0.67880%0.801SS**  trans-170.636.8172.2-145.50000117.6T147T147-S149 VanDerWaalsContact C-N 3.31Å; T147-S149 PolarHBondContact O-N 3.21Å
150V46.8Very low46.6Very low128 Ų128130.9 Ų130.978%0.77680%0.797SS**SBendtrans-128.5-7.6179.4-172.10000116.3
151Y42Very low47.5Very low232 Ų232129.6 Ų129.691%0.9179%0.791SS**SBendtrans-124.112.4175.2-96.7-87.6000116.2
152S56.5Low47.5Very low121 Ų121132.3 Ų132.385%0.84680%0.8SS**  trans-107.943.6-177.3-162.60000113.6
153Q58.5Low47.6Very low175 Ų175129.6 Ų129.682%0.81880%0.798SS**  trans-13329.9-173-137.5168.1103.800114.9
154M44.3Very low47.3Very low173 Ų173130 Ų13085%0.85280%0.8SS**SBendtrans-128.7105.6166.7-60.6-172.77600110
155N51.1Low46.7Very low160 Ų160135 Ų13586%0.85680%0.804SS**SBendtrans86.8108.1168.6-49.2-39.8000115.6
156G47.9Very low46.7Very low89 Ų89135.7 Ų135.792%0.91880%0.801SS**  trans-82.4152.4-165.800000115.5
157G48.9Very low46.2Very low74 Ų74137 Ų13776%0.76380%0.802SS**  trans-165.4110165.700000108
158L53.2Low45.8Very low156 Ų156136.6 Ų136.682%0.81780%0.799SS**  trans-61.1136.6178.5-77.9146.9000111I160L158-I160 HydrophobicContact CB-CG1 4.47Å
159P51.7Low46.1Very low128 Ų128137.8 Ų137.883%0.83180%0.798SS**  trans-85.9115.1166.131.9-25.8000108.7
160I50.3Low45.9Very low146 Ų146140.5 Ų140.575%0.74981%0.805SS**  trans-124.1139.2169.9-61.2-177.3000109L158L158-I160 HydrophobicContact CB-CG1 4.47Å
161P49.3Very low45.6Very low104 Ų104139 Ų13968%0.67580%0.8SS**  trans-107.5163.4-142.138.6-29.7000115.6
162N37.8Very low45.2Very low165 Ų165133.1 Ų133.188%0.88279%0.794SS**  trans32.690.3146.3-64.6-43.2000121.1
163G38.3Very low44.5Very low74 Ų74131.7 Ų131.776%0.76378%0.783SS**  trans63.5171.2149.800000119
164P42.1Very low43.9Very low123 Ų123131.2 Ų131.280%0.79978%0.781SS**  cis-140.3171.63.844.5-26.2000117.3
165R39.8Very low43.6Very low218 Ų218130.8 Ų130.882%0.82378%0.777SS**  trans81.6112.2147.8-77.6-168.8159.9-160.3-6.2124.2
166I40.3Very low42.9Very low125 Ų125128.2 Ų128.264%0.64178%0.778SS**  65.2140.4126.7-38.1172.2000119.2
167I34.1Very low42.4Very low157 Ų157129.2 Ų129.281%0.80577%0.771SS**  trans82.6102.9152.629.6-171.7000120.3
168T34.2Very low41.6Very low125 Ų125131.3 Ų131.377%0.76777%0.774SS**  trans-63.1169.8136.544.60000110.6
169P54.5Low41Very low123 Ų123129.8 Ų129.880%0.79978%0.776SS**  cis-135168-16.335.3-17000113.6
170D43.4Very low40.6Very low154 Ų154129.7 Ų129.782%0.82477%0.774SS**  trans-163149.6140.8-155.45.5000113.1
171S38.7Very low39.9Very low96 Ų96130.4 Ų130.467%0.67177%0.774SS**  trans-38.5156.8178.5-52.90000121.5
172S34.3Very low39.8Very low110 Ų110130.4 Ų130.477%0.76978%0.776SS**  trans59138.5132.4-158.20000117.8
173S42.6Very low40.2Very low90 Ų90129.8 Ų129.863%0.62977%0.768SS**  cis-171.6-176.114.620.90000106.3
174E44.5Very low40.7Very low166 Ų166135.5 Ų135.578%0.77677%0.772SS**  trans122.898.6143.1-48.6-140.5125.500116.2
175E39Very low40.8Very low163 Ų163135 Ų13576%0.76277%0.767SS**  trans49.2105.3131.9-36.9-55.189.100120.3
176A36.6Very low40.9Very low107 Ų107130.7 Ų130.788%0.88477%0.77SS**  trans-141.7115.1139.500000110
177S36.1Very low41.6Very low109 Ų109134.4 Ų134.476%0.76278%0.776SS**  trans-82.5156.6-176.9-74.50000113.9
178S32.2Very low42.2Very low118 Ų118133.1 Ų133.183%0.82578%0.775SS**  trans80.7105.2152.2-75.30000120.3
179S41.4Very low43Very low124 Ų124133.4 Ų133.487%0.86778%0.783SS**  -148.2125.7122-177.10000110.3
180T42.5Very low42.8Very low127 Ų127130.5 Ų130.578%0.77978%0.775SS**  trans-72.2118-172.547.30000112.4
181H36.7Very low43.1Very low161 Ų161130.6 Ų130.675%0.74578%0.781SS**  trans-146104.3147.7-162.267.3000111.3Q183H181-Q183 PolarHBondContact O-N 3.3Å
182S48Very low44Very low103 Ų103136 Ų13672%0.7279%0.787SS**  trans-70.2110.1169.4-79.80000110.2
183Q45.7Very low45.1Very low152 Ų152139.2 Ų139.271%0.7179%0.79SS**  trans-135.9106152-79.5-76.1-26.300108H181 T185H181-Q183 PolarHBondContact O-N 3.3Å; Q183-T185 PolarHBondContact O-N 3.37Å; Q183-T185 VanDerWaalsContact O-N 3.13Å
184K48.1Very low46.5Very low195 Ų195143.7 Ų143.785%0.84879%0.793SS**  trans-71.597.5180-51.5167.3179.4-177.80108
185T44.7Very low47.5Very low113 Ų113141 Ų14169%0.69379%0.787SS**  trans-139.994.3152.854.50000108.7Q183 R187Q183-T185 PolarHBondContact O-N 3.37Å; Q183-T185 VanDerWaalsContact O-N 3.13Å; T185-R187 PolarHBondContact O-N 3.23Å
186S42.4Very low49.3Very low127 Ų127140.2 Ų140.289%0.88878%0.778SS**  trans-61.5102.9167.6-166.70000107.5T188S186-T188 PolarHBondContact O-N 2.82Å
187R54.2Low50.6Low203 Ų203145.4 Ų145.477%0.76678%0.78SS**  trans-76.4118.6176.5-76.7-178.7150.5-175.3-6.1107.8T185 S189T185-R187 PolarHBondContact O-N 3.23Å; R187-S189 PolarHBondContact O-N 2.75Å
188T45.9Very low51.8Low129 Ų129144.4 Ų144.479%0.79177%0.773SS**  trans-63.2129173.551.70000109.9S186 G190S186-T188 PolarHBondContact O-N 2.82Å; T188-G190 PolarHBondContact O-N 2.85Å; T188-G190 VanDerWaalsContact O-N 3.07Å
189S50.8Low53.7Low132 Ų132144.5 Ų144.592%0.92377%0.765SS**  trans-58.4108.3165.1-62.20000108.7R187R187-S189 PolarHBondContact O-N 2.75Å
190G50.6Low55.3Low62 Ų62148.1 Ų148.164%0.63977%0.765SS**  trans-137.7102.8178.500000109.9T188 R192T188-G190 PolarHBondContact O-N 2.85Å; T188-G190 VanDerWaalsContact O-N 3.07Å; G190-R192 PolarHBondContact O-N 3.03Å
191T49.3Very low56.7Low156 Ų156147.5 Ų147.596%0.95776%0.756SS**  trans-66.662.1177.2-42.20000112.5
192R58.5Low58.3Low210 Ų210146.3 Ų146.379%0.79275%0.754SS**SBendtrans-156.5112.5163.9-174170.2169.7-175.6-2.4109.3G190 R194G190-R192 PolarHBondContact O-N 3.03Å; R192-R194 PolarHBondContact O-N 3.42Å
193E56.8Low59.2Low177 Ų177150.8 Ų150.883%0.82776%0.757SS**  trans-42.2105.8165.2-172.6-179.5-172.800109.6
194R71.8Confident60.4Low184 Ų184151 Ų15169%0.69476%0.757SS**  trans-111.6101.2167.1-72.6-172.1-65.3146-4.2105.3R192 R196R192-R194 PolarHBondContact O-N 3.42Å; R194-R196 PolarHBondContact O-N 3.45Å
195V66.7Low61.3Low109 Ų109145.8 Ų145.866%0.66175%0.751SS**  trans-50.8113.3171.7179.90000107.4
196R77.5Confident62.2Low147 Ų147148 Ų14856%0.55576%0.757SS**  trans-86.1125.1173.8-58.9-172.799.588.6-2.4106.3R194 S198 D199R194-R196 PolarHBondContact O-N 3.45Å; R196-S198 PolarHBondContact O-N 3.24Å; R196-D199 PolarHBondContact O-N 2.75Å
197F63.1Low62.9Low215 Ų215147.5 Ų147.594%0.94375%0.753SS**THydrogen-bonded Turntrans-62.512.5179-71.9-83000115.3
198S61.8Low62.7Low88 Ų88143.7 Ų143.762%0.61576%0.755SS**THydrogen-bonded Turntrans-98.2-6.7174.856.30000113.8R196 K200R196-S198 PolarHBondContact O-N 3.24Å; S198-K200 PolarHBondContact O-N 2.81Å
199D71.9Confident63.3Low120 Ų120144.5 Ų144.564%0.64276%0.755SS**  trans-7592.4172.6-77.6-8.2000108.8R196 I201R196-D199 PolarHBondContact O-N 2.75Å; D199-I201 VanDerWaalsContact C-N 3.32Å; D199-I201 HydrophobicContact CB-CD1 4.02Å; D199-I201 PolarHBondContact O-N 3.19Å
200K73.4Confident63.6Low200 Ų200144.4 Ų144.487%0.8774%0.744SS**  trans-69.693.2170.6-65-176.6-179.2-175.60107.6S198 L202S198-K200 PolarHBondContact O-N 2.81Å; K200-L202 PolarHBondContact O-N 3.39Å; K200-L202 VanDerWaalsContact O-N 3.14Å
201I73.6Confident63.9Low115 Ų115147.2 Ų147.259%0.5975%0.745SS**  trans-70.2108172.1-42.6-58.9000106.9D199 Y203D199-I201 VanDerWaalsContact C-N 3.32Å; D199-I201 HydrophobicContact CB-CD1 4.02Å; D199-I201 PolarHBondContact O-N 3.19Å; I201-Y203 HydrophobicContact CB-CE2 4.3Å; I201-Y203 HydrophobicContact CG2-CE2 4.31Å; I201-Y203 PolarHBondContact O-N 3.15Å
202L69.3Low64Low136 Ų136148.5 Ų148.571%0.71274%0.74SS**  trans-81.6101.8174-175.765.5000107.7K200 H204K200-L202 PolarHBondContact O-N 3.39Å; K200-L202 VanDerWaalsContact O-N 3.14Å; L202-H204 PolarHBondContact O-N 3.34Å; L202-H204 VanDerWaalsContact O-N 3.15Å
203Y66.4Low63.7Low197 Ų197146.9 Ų146.977%0.77374%0.741SS**  trans-69.1108.6169.2-68-88.3000108.1I201 A205I201-Y203 HydrophobicContact CB-CE2 4.3Å; I201-Y203 HydrophobicContact CG2-CE2 4.31Å; I201-Y203 PolarHBondContact O-N 3.15Å; Y203-A205 PolarHBondContact O-N 3.3Å
204H70.7Confident63.4Low156 Ų156146.2 Ų146.272%0.72274%0.738SS**  trans-69.9105.7157-73.3-78.6000105.9L202 L206L202-H204 PolarHBondContact O-N 3.34Å; L202-H204 VanDerWaalsContact O-N 3.15Å; H204-L206 PolarHBondContact O-N 3.14Å
205A68.3Low62.1Low86 Ų86146 Ų14671%0.71175%0.745SS**  trans-57.2114.4163.800000105.5Y203 C207Y203-A205 PolarHBondContact O-N 3.3Å; A205-C207 VanDerWaalsContact C-N 3.3Å; A205-C207 PolarHBondContact O-N 3.33Å
206L63.6Low61.2Low159 Ų159148.9 Ų148.983%0.83275%0.751SS**  trans-57.5102.4171.7-63.9165.9000105.3H204 C208H204-L206 PolarHBondContact O-N 3.14Å; L206-C208 PolarHBondContact O-N 3.35Å; L206-C208 VanDerWaalsContact O-N 3.08Å
207C56.4Low59.7Low117 Ų117149.9 Ų149.979%0.79176%0.762SS**  trans-59.9114.2164.8-63.30000105A205 D209A205-C207 VanDerWaalsContact C-N 3.3Å; A205-C207 PolarHBondContact O-N 3.33Å; C207-D209 PolarHBondContact O-N 3.16Å
208C49.3Very low59Low122 Ų122148.2 Ų148.282%0.82476%0.757SS**  trans-63.795.3164.7-63.40000106.3L206 D210L206-C208 PolarHBondContact O-N 3.35Å; L206-C208 VanDerWaalsContact O-N 3.08Å; C208-D210 PolarHBondContact O-N 2.97Å
209D60.2Low58.1Low146 Ų146151.6 Ų151.678%0.78177%0.768SS**  trans-83.557.5165.9-149.630.8000106.8C207C207-D209 PolarHBondContact O-N 3.16Å
210D57.2Low56.9Low131 Ų131157.9 Ų157.970%0.70178%0.782SS**  trans-107.286.1174.4-14412.1000105.9C208 E212C208-D210 PolarHBondContact O-N 2.97Å; D210-E212 PolarHBondContact O-N 2.98Å
211D56.8Low55.3Low121 Ų121157.1 Ų157.165%0.64778%0.782SS**  trans-63.199.6168.1-68.1-47.9000107.6E213D211-E213 VanDerWaalsContact C-N 3.26Å; D211-E213 HydrophobicContact CB-CG 4.34Å; D211-E213 PolarHBondContact O-N 3.05Å
212E51.2Low53.4Low183 Ų183158 Ų15886%0.85579%0.788SS**  trans-75.386.6166.6-58.6-166.4-148.900108.3D210 E214D210-E212 PolarHBondContact O-N 2.98Å; E212-E214 PolarHBondContact O-N 3.04Å
213E51.5Low52Low175 Ų175159.4 Ų159.482%0.81879%0.788SS**  trans-64.7106.8172.4-54.9179.7-137.700110.3D211D211-E213 VanDerWaalsContact C-N 3.26Å; D211-E213 HydrophobicContact CB-CG 4.34Å; D211-E213 PolarHBondContact O-N 3.05Å
214E50.4Low50.5Low163 Ų163155.7 Ų155.776%0.76279%0.791SS**  trans39.8100.3139-157.5169.5-132.100118.6E212 Q216E212-E214 PolarHBondContact O-N 3.04Å; E214-Q216 HydrophobicContact CG-CB 4.45Å
215E46Very low48.9Very low181 Ų181151.9 Ų151.985%0.84679%0.794SS**  trans-125.192.3149.4-147.6167.7-141.600109.9
216Q47.2Very low47.3Very low169 Ų169158.7 Ų158.779%0.7980%0.803SS**  trans-99.373.2174-158.2160.1103.200107.2E214 E218E214-Q216 HydrophobicContact CG-CB 4.45Å; Q216-E218 PolarHBondContact O-N 3.26Å
217E45.3Very low45.8Very low167 Ų167154.7 Ų154.778%0.7879%0.793SS**  trans-92.387.1168.4-92.6-168.4168.100110.4L219E217-L219 PolarHBondContact O-N 2.79Å; E217-L219 VanDerWaalsContact O-N 3.16Å
218E47.8Very low45.1Very low180 Ų180155.4 Ų155.484%0.84179%0.794SS**  10.388.6125.1-165.6174.3-164.400116.2Q216Q216-E218 PolarHBondContact O-N 3.26Å
219L44.8Very low44.8Very low160 Ų160154.8 Ų154.884%0.83879%0.788SS**  trans-144.167.3155.8-167.685.5000110.8E217E217-L219 PolarHBondContact O-N 2.79Å; E217-L219 VanDerWaalsContact O-N 3.16Å
220R44.7Very low43.4Very low251 Ų251154.4 Ų154.495%0.94779%0.786SS**  trans-151.380.5152.6-72-151.7-174.9-116.7-0.5111.4
221E40Very low42.4Very low184 Ų184154 Ų15486%0.8679%0.794SS**  trans-145.798.2152.9-151.3166.9-160.800110.2
222D34.9Very low41.3Very low134 Ų134155.3 Ų155.372%0.71780%0.8SS**  167147.4119.5-167.924.8000110.5
223K40Very low40.7Very low166 Ų166153.4 Ų153.472%0.72280%0.802SS**  trans85.893.1162.9-119.984.7174.8-164.20119.9
224S34.5Very low40.3Very low118 Ų118153.1 Ų153.183%0.82580%0.8SS**  108.194.6124.175.90000117
225G37.9Very low40.2Very low76 Ų76150.4 Ų150.478%0.78480%0.797SS**  trans-90.9148.9143.500000109.9
226Y33.5Very low39.4Very low229 Ų229145 Ų14590%0.89879%0.79SS**  163.5119.5121.9-166.9-105.4000112.2
227A33.2Very low38.8Very low75 Ų75145.5 Ų145.562%0.6280%0.797SS**  trans60.1132.9145.500000123.8
228T40.8Very low38.4Very low132 Ų132146.2 Ų146.281%0.8181%0.805SS**  trans-62.5168.415445.60000111.6
229P43.7Very low37.6Very low109 Ų109141.2 Ų141.271%0.70880%0.802SS**  cis-149.6177.140.140.6-17.3000119.2
230D29.8Very low37.1Very low139 Ų139139.6 Ų139.674%0.74380%0.804SS**  trans60.9116.4151.1-85.4-39.9000122.1
231S36.5Very low36.5Very low123 Ų123132.9 Ų132.986%0.8680%0.795SS**  -166116.8123.3-80.10000111.1
232D34.4Very low36.4Very low147 Ų147130.6 Ų130.679%0.78679%0.793SS**  trans-47.5141.7163.3-75.6-62.3000113.3
233T36.8Very low36.7Very low144 Ų144128.2 Ų128.288%0.88379%0.792SS**  -171.5120.3122.7-67.50000109.4
234E43.7Very low36.7Very low169 Ų169126.5 Ų126.579%0.7980%0.798SS**  trans-86-173.7179.5-115.6-77.6106.600110.8
235P48.7Very low36.7Very low106 Ų106130.4 Ų130.469%0.68880%0.8SS**  -123-175.4-112.946.2-31.5000114.5
236G30.1Very low36.5Very low67 Ų67138.8 Ų138.869%0.69181%0.808SS**  trans165.7141.3161.800000110.8
237L33.9Very low36.4Very low180 Ų180133.6 Ų133.694%0.94281%0.806SS**  cis-159.415611.8-86.8161.8000108.2
238L36.9Very low36.7Very low182 Ų182135.2 Ų135.295%0.95381%0.812SS**  trans-62.4151.6171.9-64.1165.2000113
239G30.1Very low36.5Very low75 Ų75134.6 Ų134.677%0.77381%0.813SS**  trans172.9100.9162.100000117.7
240S34Very low36.3Very low126 Ų126138.3 Ų138.388%0.88182%0.821SS**  trans77106.2148.6-760000122.9
241S33.4Very low36.5Very low110 Ų110140.5 Ų140.577%0.76983%0.827SS**  trans-12.1142130.7-170.50000118
242V38.1Very low36.5Very low135 Ų135139.5 Ų139.582%0.81882%0.82SS**  -173.6128127.2150.10000109.6
243A40.3Very low36.8Very low84 Ų84139.2 Ų139.269%0.69482%0.817SS**  trans-75163.8171.400000112.6
244P39.9Very low36.8Very low130 Ų130138.8 Ų138.884%0.84481%0.809SS**  trans-124.2144.6143.90.421.9000115
245K34.1Very low36.4Very low201 Ų201139.9 Ų139.987%0.87481%0.807SS**  trans-77.1151.8-176.2-69.2171.5170.4176.90112.9
246R34.6Very low35.8Very low252 Ų252142.3 Ų142.395%0.95182%0.815SS**  trans-55.2141.4155.3-72.6179.9153.2145-4.3111
247S31.7Very low35.9Very low120 Ų120144.2 Ų144.284%0.83982%0.816SS**  trans-135.2136.6161.8-168.90000110.2
248S39.2Very low36.2Very low109 Ų109143.3 Ų143.376%0.76281%0.811SS**  trans-76.6160.2174.852.80000112.4
249S35.7Very low36.2Very low119 Ų119141.6 Ų141.683%0.83280%0.803SS**  trans-162.5120.5141.2640000110.8
250E39.4Very low36.9Very low186 Ų186143.7 Ų143.787%0.86980%0.803SS**  trans-79.6143163.1-60.3-177122.600109.9
251H34Very low37.2Very low186 Ų186142.2 Ų142.286%0.86179%0.793SS**  trans-158.4115.7143-129-80.3000111.2
252S38Very low37.5Very low102 Ų102148.1 Ų148.171%0.71380%0.8SS**  trans-69.7149.7162.4-1700000109.8
253L39.7Very low37.3Very low140 Ų140145.3 Ų145.373%0.73380%0.798SS**  trans174.6109.9136.9-84.7-173.5000111.6
254L36.8Very low36.9Very low136 Ų136147.3 Ų147.371%0.71281%0.807SS**  trans73.1117.5130.3-59.5176.9000123
255Y35.8Very low36.7Very low192 Ų192145.9 Ų145.975%0.75380%0.8SS**  52.5121.2127.3-99.6-98.3000119.9
256N35.6Very low37.7Very low157 Ų157141.6 Ų141.684%0.8479%0.793SS**  trans-156.199.7137.4-90-47.1000111
257C32.5Very low37.8Very low107 Ų107135.6 Ų135.672%0.72378%0.784SS**  trans-96.6123.5157.7-60.20000107.4
258L40.8Very low38.2Very low160 Ų160139.3 Ų139.384%0.83879%0.785SS**  trans-138.7108.4163.9-80.1167.3000109.3
259D36.2Very low37.9Very low146 Ų146138.3 Ų138.378%0.78178%0.783SS**  trans-98.7143.2154.5-170.721.6000107
260P44.7Very low38Very low119 Ų119140.4 Ų140.477%0.77378%0.782SS**  trans-124.4128.3149.2-2.524.2000115.2
261S40Very low37.9Very low96 Ų96138.3 Ų138.367%0.67178%0.782SS**  trans-71.9149.5174.2178.40000115.3
262Y41.5Very low37.8Very low234 Ų234132.9 Ų132.992%0.91878%0.776SS**  trans28.1135.3146.3-76.4-103.1000122.2
263G32.9Very low37.8Very low75 Ų75132.2 Ų132.277%0.77378%0.776SS**  trans164.6100.5148.500000119.1
264S32.5Very low37.7Very low127 Ų127134 Ų13489%0.88878%0.781SS**  trans56.7127.9141.2-151.40000124.3
265S35.9Very low37.7Very low100 Ų100134.1 Ų134.170%0.69979%0.787SS**  trans-69.7166.6158.7-159.30000112.3
266P53.8Low37.9Very low110 Ų110132.9 Ų132.971%0.71479%0.793SS**  -156.3171.281.235.9-11.8000119.7
267V37.6Very low38.5Very low127 Ų127131 Ų13177%0.7779%0.789SS**  trans79.3117.5145.1-72.40000126
268K40.5Very low38.9Very low198 Ų198136.8 Ų136.886%0.86180%0.796SS**  149.3114.5111.9-103.1172.8179.7178.20113.1
269A32.8Very low38.7Very low87 Ų87138.9 Ų138.972%0.71980%0.798SS**  67.8137105.300000114.8
270M37.6Very low38.6Very low164 Ų164135.5 Ų135.581%0.80880%0.797SS**  cis-173.4169.424.4-164.2103.573.700108.9
271T35.9Very low38.5Very low142 Ų142137.6 Ų137.687%0.87180%0.801SS**  trans81.1136.6162.769.70000117.4
272G33.5Very low38.4Very low72 Ų72140.9 Ų140.974%0.74281%0.81SS**  cis-164.3163.28.400000111
273A37.8Very low38.4Very low87 Ų87136.4 Ų136.472%0.71980%0.802SS**  trans-98140.6-169.200000112.9
274H36.7Very low39Very low177 Ų177138.8 Ų138.882%0.81980%0.804SS**  trans-147.3119.9160.3-62.7-66.7000113.5
275T38.3Very low39.5Very low139 Ų139135.7 Ų135.785%0.85379%0.792SS**  trans71.8113.8145.366.60000123.2
276L39.4Very low39.9Very low167 Ų167136.8 Ų136.887%0.87480%0.798SS**  trans-73.3177.8152.5-62.4171.1000110.3
277P48.3Very low39.6Very low116 Ų116142.1 Ų142.175%0.75380%0.804SS**  cis-152.2166.61942.9-20.4000120.7
278R39.4Very low40.5Very low230 Ų230146.1 Ų146.187%0.86881%0.811SS**  trans68118.3134-164.1179.6-175.2176.21.7122.8
279K37.1Very low41.4Very low204 Ų204145.4 Ų145.489%0.88781%0.808SS**  trans156.6127.1130.3-83.5163.4-171.5-176.90106.4
280G34Very low42.4Very low74 Ų74149.1 Ų149.176%0.76382%0.815SS**  cis125106.624.400000107.8
281L42.9Very low43.1Very low163 Ų163148.6 Ų148.685%0.85382%0.815SS**  trans83.1107.9163.5-12976000119.1
282L39.1Very low44.1Very low165 Ų165152.3 Ų152.386%0.86481%0.813SS**  166.3118.3114.1-82.2165.6000109.5
283N40.6Very low45Very low140 Ų140155.4 Ų155.475%0.74981%0.812SS**  trans-110.6136.9164.2-169.2-0.1000105.7G285N283-G285 PolarHBondContact OD1-N 3.04Å; N283-G285 VanDerWaalsContact OD1-N 3.14Å
284P46.3Very low45.6Very low126 Ų126155.8 Ų155.882%0.81881%0.81SS**  -141.3148.795.825.6-4.5000112.8
285G42.1Very low46.8Very low61 Ų61152.6 Ų152.663%0.62981%0.807SS**  trans-67161.3-175.100000115.7N283N283-G285 PolarHBondContact OD1-N 3.04Å; N283-G285 VanDerWaalsContact OD1-N 3.14Å
286C44.1Very low48Very low123 Ų123151.9 Ų151.983%0.83180%0.803SS**  trans-165103.8153.2-97.50000110.8
287R48.5Very low49.3Very low223 Ų223152.1 Ų152.184%0.84280%0.8SS**  trans42.3116.8132.4-55.9176.969.1-1701.7118.4K289R287-K289 PolarHBondContact O-N 2.96Å
288K56.2Low50Low210 Ų210152.2 Ų152.291%0.91380%0.798SS**  trans-21.9123153.4-69171.1172.21720113.1
289K58.1Low51Low183 Ų183147.1 Ų147.180%0.79679%0.792SS**  trans-120.699.6163.8-70.4-85.9-178.3164.70107.8R287 L291R287-K289 PolarHBondContact O-N 2.96Å; K289-L291 PolarHBondContact O-N 2.83Å
290L54.8Low52Low165 Ų165142.4 Ų142.486%0.86479%0.785SS**  trans-62.7117.6152.3-108.976.3000106.1
291L51.9Low53.6Low153 Ų153146.1 Ų146.180%0.80179%0.787SS**  trans-99.790.1164.5-72.1170.6000107.2K289K289-L291 PolarHBondContact O-N 2.83Å
292R56.8Low54.6Low221 Ų221147.6 Ų147.683%0.83479%0.787SS**  trans-12393.6160.5-173.4177.1-178.4167.61.4106.6
293N52.3Low55.5Low136 Ų136144.8 Ų144.873%0.72778%0.781SS**  trans-115.482169.656-31.3000108.4S295N293-S295 PolarHBondContact O-N 3.07Å
294S50.8Low56.4Low96 Ų96144 Ų14467%0.67178%0.782SS**  trans-78.993.4158.149.50000107.6
295S61Low57Low109 Ų109146 Ų14676%0.76278%0.78SS**  trans-96.591.5173.9-176.90000109N293 Q297N293-S295 PolarHBondContact O-N 3.07Å; S295-Q297 PolarHBondContact O-N 3.11Å
296T63.5Low57.6Low125 Ų125148.2 Ų148.277%0.76778%0.782SS**  trans-80.7108.4169.5-49.20000108T298T296-T298 PolarHBondContact O-N 3.17Å
297Q66.9Low58Low172 Ų172148.3 Ų148.380%0.80478%0.778SS**  trans-85.1106.3176-175.815912.600109.5S295S295-Q297 PolarHBondContact O-N 3.11Å
298T64.4Low58.8Low117 Ų117144.5 Ų144.572%0.71877%0.774SS**  trans-81.2117.117053.20000109T296 S300T296-T298 PolarHBondContact O-N 3.17Å; T298-S300 PolarHBondContact O-N 3.2Å
299V58.8Low58.7Low123 Ų123139.8 Ų139.875%0.74577%0.765SS**  trans-76.7113.1168.6-179.50000106.9D301V299-D301 PolarHBondContact O-N 3.47Å
300S59.8Low58.6Low105 Ų105140.4 Ų140.473%0.73476%0.763SS**  trans-75.3110.1169.1-53.20000108.8T298 K302T298-S300 PolarHBondContact O-N 3.2Å; S300-K302 PolarHBondContact O-N 2.98Å
301D65.9Low58.9Low152 Ų152139.6 Ų139.681%0.81376%0.758SS**  trans-62.4102.9167.530-64.4000109.5V299 S303V299-D301 PolarHBondContact O-N 3.47Å; D301-S303 PolarHBondContact O-N 3.44Å
302K65Low59.1Low195 Ų195136.5 Ų136.585%0.84875%0.747SS**  trans-68.9101.2170.6-171.5-175.2179.6-160.90107.9S300 T304S300-K302 PolarHBondContact O-N 2.98Å; K302-T304 PolarHBondContact O-N 3.16Å; K302-T304 VanDerWaalsContact O-N 3.17Å
303S56.8Low59.1Low105 Ų105132.2 Ų132.273%0.73475%0.746SS**  trans-50.6118.3171.5-179.20000110.7D301 Q305D301-S303 PolarHBondContact O-N 3.44Å; S303-Q305 PolarHBondContact O-N 2.97Å; S303-Q305 VanDerWaalsContact O-N 3.11Å
304T60.7Low59.3Low125 Ų125135.5 Ų135.577%0.76775%0.754SS**  trans-77.694171.4-55.40000107.3K302 T306K302-T304 PolarHBondContact O-N 3.16Å; K302-T304 VanDerWaalsContact O-N 3.17Å; T304-T306 PolarHBondContact O-N 3.33Å
305Q58.1Low59.6Low166 Ų166140.1 Ų140.178%0.77677%0.765SS**  trans-6399.2172.6-175.5174.219.200109.3S303 V307S303-Q305 PolarHBondContact O-N 2.97Å; S303-Q305 VanDerWaalsContact O-N 3.11Å; Q305-V307 PolarHBondContact O-N 3.13Å; Q305-V307 VanDerWaalsContact O-N 3.16Å
306T55.1Low59Low109 Ų109144.7 Ų144.767%0.66977%0.771SS**  trans-71105.1167.753.80000108.2T304 L308T304-T306 PolarHBondContact O-N 3.33Å; T306-L308 PolarHBondContact O-N 3.1Å; T306-L308 VanDerWaalsContact O-N 3.1Å
307V52.3Low58.3Low125 Ų125143.1 Ų143.176%0.75877%0.77SS**  trans-68.3104.1170.61740000107.9Q305Q305-V307 PolarHBondContact O-N 3.13Å; Q305-V307 VanDerWaalsContact O-N 3.16Å
308L65.4Low57.8Low142 Ų142143.8 Ų143.874%0.74377%0.77SS**PPolyproline II helixtrans-76.9135.2166.3-66.8176.1000108.8T306 Y310T306-L308 PolarHBondContact O-N 3.1Å; T306-L308 VanDerWaalsContact O-N 3.1Å; L308-Y310 PolarHBondContact O-N 3.33Å
309P54.8Low57.3Low112 Ų112145.6 Ų145.673%0.72778%0.776SS**PPolyproline II helixtrans-64.5123178.524.2-30.9000110.5I311P309-I311 PolarHBondContact O-N 3.25Å
310Y56.4Low56.9Low196 Ų196151.3 Ų151.377%0.76979%0.794SS**PPolyproline II helixtrans-64118.9174177.6-101.9000110.2L308 P312L308-Y310 PolarHBondContact O-N 3.33Å; Y310-P312 HydrophobicContact CD1-CG 4.08Å; Y310-P312 HydrophobicContact CE1-CB 3.99Å; Y310-P312 HydrophobicContact CE1-CG 3.98Å; Y310-P312 WeakPolarHBondContact O-CD 3.47Å
311I59.8Low56.8Low148 Ų148153.6 Ų153.676%0.75980%0.797SS**  trans-93.3113.6170.7-57.4-179.8000107.6P309 T313P309-I311 PolarHBondContact O-N 3.25Å; I311-T313 PolarHBondContact O-N 3.48Å
312P57.6Low56.3Low87 Ų87153.7 Ų153.757%0.56580%0.796SS**PPolyproline II helixtrans-71.6130.1177.1-10.725.6000110.6Y310 K314Y310-P312 HydrophobicContact CD1-CG 4.08Å; Y310-P312 HydrophobicContact CE1-CB 3.99Å; Y310-P312 HydrophobicContact CE1-CG 3.98Å; Y310-P312 WeakPolarHBondContact O-CD 3.47Å; P312-K314 PolarHBondContact O-N 3.38Å
313T55.6Low55.8Low132 Ų132151.4 Ų151.481%0.8179%0.793SS**PPolyproline II helixtrans-67.2120.8169.149.30000110I311 Q315I311-T313 PolarHBondContact O-N 3.48Å; T313-Q315 PolarHBondContact O-N 3.34Å
314K56.9Low55.7Low204 Ų204154.1 Ų154.189%0.88780%0.797SS**PPolyproline II helixtrans-56.9125.7175.8-68.6-98.6-179.2173.20110.5P312 K316P312-K314 PolarHBondContact O-N 3.38Å; K314-K316 PolarHBondContact O-N 3.47Å
315Q56.5Low55.4Low193 Ų193155.9 Ų155.990%0.90280%0.798SS**PPolyproline II helixtrans-58.2131.2168.6-86.1172.7-59.100110.4T313 A317T313-Q315 PolarHBondContact O-N 3.34Å; Q315-A317 PolarHBondContact O-N 3.4Å
316K49.7Very low55.2Low206 Ų206155.3 Ų155.390%0.89680%0.8SS**PPolyproline II helixtrans-66.2121.7165.3-80.3-127.8174.9-174.80109.1K314K314-K316 PolarHBondContact O-N 3.47Å
317A48.9Very low55.2Low91 Ų91158.6 Ų158.675%0.75281%0.809SS**PPolyproline II helixtrans-60.6135.8165.800000109.3Q315Q315-A317 PolarHBondContact O-N 3.4Å
318K56.2Low55.5Low186 Ų186161.2 Ų161.281%0.80981%0.813SS**  trans-93.8103.9171.7-176.9168.6-178.6174.80106.2
319D52.2Low54.6Low156 Ų156162.8 Ų162.883%0.83482%0.819SS**  trans-65.7138.4168.9-75.5-61.5000109.4
320H51.3Low54.6Low242 Ų242167.4 Ų167.4100%1.1283%0.827SS**  trans-123.90173.5-126.2-56000108.6

Retrieved 320 of 320 residues in 236.8 ms (Link to these results)