A0A087XBR9_POEFO Loading...

Protein GOLM2

AlphaFold DB , UniProt , Accession A0A087XBR9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 477 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
1M38.6Very low48.9Very low226 Ų226147.4 Ų147.4100%1.11383%0.834SS**  01480-70.913371.100108.4
2I49Very low49.9Very low172 Ų172155.8 Ų155.888%0.88284%0.843SS**  trans49.1122.5159.6-52.3155.2000116.6
3G47.7Very low50Low59 Ų59151.9 Ų151.961%0.60882%0.818SS**  cis151.1132.41.400000110.3
4F49.5Very low51.3Low225 Ų225146.1 Ų146.199%0.98779%0.792SS**  trans56.192.5172.6-66.5-84.8000118.4
5G47.3Very low52.8Low78 Ų78141.5 Ų141.580%0.80478%0.775SS**  trans-130.3118.3152.300000108.7
6A47.7Very low54.5Low105 Ų105142.9 Ų142.987%0.86877%0.772SS**  trans-76.1137.4-16200000114.4R8A6-R8 PolarHBondContact O-N 2.71Å
7N46.7Very low56.3Low142 Ų142139.2 Ų139.276%0.75975%0.75SS**  trans-64.6123.7170.8-102.2-37000111.6R9N7-R9 PolarHBondContact O-N 3.04Å; N7-R9 VanDerWaalsContact O-N 3.16Å
8R52.3Low57.8Low229 Ų229137 Ų13786%0.86474%0.738SS**  trans46.953.7140-55.3-179.9-175.3-106.20.3117.5A6 G10A6-R8 PolarHBondContact O-N 2.71Å; R8-G10 PolarHBondContact O-N 2.83Å; R8-G10 VanDerWaalsContact O-N 3.15Å
9R52.3Low59.4Low257 Ų257134.6 Ų134.697%0.9773%0.728SS**  trans-81.467.2145.1-89.3-170.9171.3179.4-1.5109.7N7 G11N7-R9 PolarHBondContact O-N 3.04Å; N7-R9 VanDerWaalsContact O-N 3.16Å; R9-G11 PolarHBondContact O-N 3.17Å
10G53.3Low60.8Low72 Ų72134.8 Ų134.874%0.74272%0.722SS**  trans-6883.8166.400000108.8R8 R12R8-G10 PolarHBondContact O-N 2.83Å; R8-G10 VanDerWaalsContact O-N 3.15Å; G10-R12 PolarHBondContact O-N 2.69Å
11G53.6Low62.2Low56 Ų56132.4 Ų132.458%0.57771%0.709SS**  trans-55.5125179.100000109.7R9 M13R9-G11 PolarHBondContact O-N 3.17Å; G11-M13 PolarHBondContact O-N 3.5Å
12R60.6Low64.6Low249 Ų249127.7 Ų127.794%0.9469%0.686SS**  trans-71.772.5172.2179.5171.6154.3172.6-7.8108.3G10G10-R12 PolarHBondContact O-N 2.69Å
13M51.5Low66.6Low105 Ų105123.6 Ų123.652%0.51767%0.668SS.*  trans-49.1128.6172.3-62.9-65.3-93.100107.2G11 S15 I17 L18G11-M13 PolarHBondContact O-N 3.5Å; M13-S15 PolarHBondContact O-N 2.92Å; M13-I17 HydrophobicContact CE-CG2 4.05Å; M13-L18 HydrophobicContact CB-CG 4.33Å
14P68.1Low68.7Low71 Ų71124.4 Ų124.446%0.46166%0.658SS.*  trans-49.7132.9172.6-2633000109F16 I17P14-F16 PolarHBondContact O-N 2.85Å; P14-I17 HydrophobicContact CB-CG1 4.28Å; P14-I17 HydrophobicContact CG-CD1 4.17Å; P14-I17 HydrophobicContact CG-CG1 4.42Å; P14-I17 PolarHBondContact O-N 3.4Å
15S74.3Confident70.7Confident77 Ų77117.7 Ų117.754%0.53863%0.632SS.*Hα-helixtrans-51.7-35.2-175.642.20000112M13 I17 L18 V19M13-S15 PolarHBondContact O-N 2.92Å; S15-I17 VanDerWaalsContact C-N 3.31Å; S15-I17 PolarHBondContact O-N 3.39Å; S15-L18 PolarHBondContact O-N 3.18Å; S15-L18 VanDerWaalsContact O-N 3.16Å; S15-V19 WeakPolarHBondContact O-CG2 3.33Å; S15-V19 PolarHBondContact O-N 2.8Å
16F78.9Confident72.8Confident164 Ų164116 Ų11672%0.71961%0.614SS**Hα-helixtrans-56.3-34.6173.4-51.2-68.5000114.6P14 V19 F20P14-F16 PolarHBondContact O-N 2.85Å; F16-V19 PolarHBondContact O-N 3.23Å; F16-F20 VanDerWaalsContact O-CB 3.26Å; F16-F20 WeakPolarHBondContact O-CB 3.45Å; F16-F20 PolarHBondContact O-N 2.83Å
17I85.3Confident75Confident79 Ų79115.4 Ų115.441%0.40560%0.599SS.*Hα-helixtrans-70.7-39.5176.6-57.7-172.4000110.6M13 P14 S15 F20 L21M13-I17 HydrophobicContact CE-CG2 4.05Å; P14-I17 HydrophobicContact CB-CG1 4.28Å; P14-I17 HydrophobicContact CG-CD1 4.17Å; P14-I17 HydrophobicContact CG-CG1 4.42Å; P14-I17 PolarHBondContact O-N 3.4Å; S15-I17 VanDerWaalsContact C-N 3.31Å; S15-I17 PolarHBondContact O-N 3.39Å; I17-F20 PolarHBondContact O-N 2.83Å; I17-L21 WeakPolarHBondContact O-CB 3.39Å; I17-L21 PolarHBondContact O-N 3.17Å
18L83.9Confident77.2Confident100 Ų100114 Ų11452%0.52459%0.591SS.*Hα-helixtrans-67.1-39175.4-64.2175.2000111.4M13 S15 M22M13-L18 HydrophobicContact CB-CG 4.33Å; S15-L18 PolarHBondContact O-N 3.18Å; S15-L18 VanDerWaalsContact O-N 3.16Å; L18-M22 WeakPolarHBondContact O-CB 3.45Å; L18-M22 WeakPolarHBondContact O-CG 3.25Å; L18-M22 PolarHBondContact O-N 3.29Å
19V87.3Confident79.2Confident92 Ų92105.7 Ų105.756%0.55857%0.571SS**Hα-helixtrans-63.6-47.4173.2172.80000111.1S15 F16 L21 M22 V23S15-V19 WeakPolarHBondContact O-CG2 3.33Å; S15-V19 PolarHBondContact O-N 2.8Å; F16-V19 PolarHBondContact O-N 3.23Å; V19-L21 PolarHBondContact O-N 2.94Å; V19-M22 PolarHBondContact O-N 3.24Å; V19-V23 WeakPolarHBondContact O-CG2 3.38Å; V19-V23 PolarHBondContact O-N 3.38Å
20F88.4Confident81.2Confident137 Ų137100.3 Ų100.360%0.60156%0.555SS**Hα-helixtrans-63.2-40.4178.4-175.6-113.1000112.4F16 I17 V23 I24F16-F20 VanDerWaalsContact O-CB 3.26Å; F16-F20 WeakPolarHBondContact O-CB 3.45Å; F16-F20 PolarHBondContact O-N 2.83Å; I17-F20 PolarHBondContact O-N 2.83Å; F20-V23 PolarHBondContact O-N 3.29Å; F20-I24 HydrophobicContact CD1-CD1 3.82Å; F20-I24 HydrophobicContact CE1-CD1 3.48Å; F20-I24 VanDerWaalsContact CE1-CD1 3.48Å; F20-I24 HydrophobicContact CE1-CG1 4.46Å; F20-I24 HydrophobicContact CZ-CD1 3.91Å; F20-I24 WeakPolarHBondContact O-CG1 3.38Å; F20-I24 PolarHBondContact O-N 3.49Å
21L89.6Confident83.1Confident86 Ų86101.3 Ų101.345%0.4554%0.544SS..Hα-helixtrans-65.1-37.5174.3-178.8138.9000112I17 V19 I24 I25I17-L21 WeakPolarHBondContact O-CB 3.39Å; I17-L21 PolarHBondContact O-N 3.17Å; V19-L21 PolarHBondContact O-N 2.94Å; L21-I24 PolarHBondContact O-N 3.06Å; L21-I25 HydrophobicContact CD2-CD1 3.6Å; L21-I25 HydrophobicContact CG-CD1 4.31Å; L21-I25 VanDerWaalsContact O-CG1 3.31Å; L21-I25 WeakPolarHBondContact O-CG1 3.36Å; L21-I25 PolarHBondContact O-N 3.41Å
22M88.4Confident85Confident127 Ų127106.6 Ų106.663%0.62655%0.547SS*.Hα-helixtrans-66.4-37.1171.8-76.4-68.1175.900112.8L18 V19 I25 G26L18-M22 WeakPolarHBondContact O-CB 3.45Å; L18-M22 WeakPolarHBondContact O-CG 3.25Å; L18-M22 PolarHBondContact O-N 3.29Å; V19-M22 PolarHBondContact O-N 3.24Å; M22-I25 PolarHBondContact O-N 2.82Å; M22-G26 PolarHBondContact O-N 3.41Å
23V91.6Very high86.6Confident85 Ų85103.3 Ų103.352%0.51554%0.535SS..Hα-helixtrans-64-43.7172.7171.70000110.9V19 F20 G26 V27V19-V23 WeakPolarHBondContact O-CG2 3.38Å; V19-V23 PolarHBondContact O-N 3.38Å; F20-V23 PolarHBondContact O-N 3.29Å; V23-G26 PolarHBondContact O-N 2.86Å; V23-V27 WeakPolarHBondContact O-CG2 3.34Å; V23-V27 PolarHBondContact O-N 3.34Å
24I92.3Very high88.4Confident76 Ų76100.7 Ų100.739%0.3953%0.525SS..Hα-helixtrans-60.6-45.8174.5-71.8168.3000111F20 L21 G26 V27 L28F20-I24 HydrophobicContact CD1-CD1 3.82Å; F20-I24 HydrophobicContact CE1-CD1 3.48Å; F20-I24 VanDerWaalsContact CE1-CD1 3.48Å; F20-I24 HydrophobicContact CE1-CG1 4.46Å; F20-I24 HydrophobicContact CZ-CD1 3.91Å; F20-I24 WeakPolarHBondContact O-CG1 3.38Å; F20-I24 PolarHBondContact O-N 3.49Å; L21-I24 PolarHBondContact O-N 3.06Å; I24-G26 VanDerWaalsContact C-N 3.32Å; I24-G26 PolarHBondContact O-N 3.04Å; I24-V27 PolarHBondContact O-N 2.86Å; I24-L28 HydrophobicContact CG2-CD1 3.77Å; I24-L28 HydrophobicContact CG2-CG 4.27Å; I24-L28 WeakPolarHBondContact O-CB 3.49Å; I24-L28 WeakPolarHBondContact O-CG 3.48Å; I24-L28 PolarHBondContact O-N 2.88Å
25I90.8Very high89.6Confident85 Ų85101.2 Ų101.244%0.43653%0.527SS..Hα-helixtrans-60.9-41.4176.1-70.9168000110.8L21 M22 L28 A29L21-I25 HydrophobicContact CD2-CD1 3.6Å; L21-I25 HydrophobicContact CG-CD1 4.31Å; L21-I25 VanDerWaalsContact O-CG1 3.31Å; L21-I25 WeakPolarHBondContact O-CG1 3.36Å; L21-I25 PolarHBondContact O-N 3.41Å; M22-I25 PolarHBondContact O-N 2.82Å; I25-L28 PolarHBondContact O-N 3.2Å; I25-A29 WeakPolarHBondContact O-CB 3.38Å; I25-A29 PolarHBondContact O-N 2.88Å
26G93.1Very high90.4Very high42 Ų42100.1 Ų100.143%0.43352%0.519SS..Hα-helixtrans-61.3-43.8175.300000113.1M22 V23 I24 F30M22-G26 PolarHBondContact O-N 3.41Å; V23-G26 PolarHBondContact O-N 2.86Å; I24-G26 VanDerWaalsContact C-N 3.32Å; I24-G26 PolarHBondContact O-N 3.04Å; G26-F30 VanDerWaalsContact O-CB 3.32Å; G26-F30 WeakPolarHBondContact O-CB 3.45Å; G26-F30 PolarHBondContact O-N 3.47Å
27V93.4Very high90.9Very high92 Ų9297.7 Ų97.756%0.55851%0.514SS*.Hα-helixtrans-67.3-41.4176.6172.20000111.6V23 I24 F30 N31V23-V27 WeakPolarHBondContact O-CG2 3.34Å; V23-V27 PolarHBondContact O-N 3.34Å; I24-V27 PolarHBondContact O-N 2.86Å; V27-F30 PolarHBondContact O-N 3.12Å; V27-N31 VanDerWaalsContact O-CB 3.32Å; V27-N31 WeakPolarHBondContact O-CB 3.21Å; V27-N31 PolarHBondContact O-N 3.38Å
28L93.2Very high91.2Very high112 Ų112100.7 Ų100.759%0.58652%0.524SS*.Hα-helixtrans-67-41.4176.1-71.9173.6000111.9I24 I25 N31 Y32I24-L28 HydrophobicContact CG2-CD1 3.77Å; I24-L28 HydrophobicContact CG2-CG 4.27Å; I24-L28 WeakPolarHBondContact O-CB 3.49Å; I24-L28 WeakPolarHBondContact O-CG 3.48Å; I24-L28 PolarHBondContact O-N 2.88Å; I25-L28 PolarHBondContact O-N 3.2Å; L28-N31 PolarHBondContact O-N 2.89Å; L28-Y32 VanDerWaalsContact O-CB 3.28Å; L28-Y32 WeakPolarHBondContact O-CB 3.48Å; L28-Y32 PolarHBondContact O-N 3.23Å
29A93.6Very high91.5Very high55 Ų55101.2 Ų101.246%0.45552%0.523SS..Hα-helixtrans-65.7-40.2175.400000111.7I25 W33I25-A29 WeakPolarHBondContact O-CB 3.38Å; I25-A29 PolarHBondContact O-N 2.88Å; A29-W33 WeakPolarHBondContact O-CB 3.11Å; A29-W33 PolarHBondContact O-N 3.49Å
30F93.8Very high91.6Very high144 Ų14498.6 Ų98.663%0.63252%0.515SS*.Hα-helixtrans-65.7-43.5173.5-178.4-98.6000112G26 V27 W33 T34G26-F30 VanDerWaalsContact O-CB 3.32Å; G26-F30 WeakPolarHBondContact O-CB 3.45Å; G26-F30 PolarHBondContact O-N 3.47Å; V27-F30 PolarHBondContact O-N 3.12Å; F30-W33 PolarHBondContact O-N 3.5Å; F30-T34 HydrophobicContact CD1-CG2 4.28Å; F30-T34 HydrophobicContact CE1-CG2 3.84Å; F30-T34 HydrophobicContact CE2-CG2 4.21Å; F30-T34 HydrophobicContact CZ-CG2 3.8Å; F30-T34 WeakPolarHBondContact O-CG2 3.42Å; F30-T34 PolarHBondContact O-N 2.94Å; F30-T34 PolarHBondContact O-OG1 3.3Å
31N94.4Very high91.7Very high94 Ų9497.7 Ų97.750%0.50351%0.512SS..Hα-helixtrans-60.4-52.7175.5-169.8-65.3000110.5V27 L28 W33 T34 V35V27-N31 VanDerWaalsContact O-CB 3.32Å; V27-N31 WeakPolarHBondContact O-CB 3.21Å; V27-N31 PolarHBondContact O-N 3.38Å; L28-N31 PolarHBondContact O-N 2.89Å; N31-W33 VanDerWaalsContact C-N 3.29Å; N31-W33 PolarHBondContact O-N 3.19Å; N31-T34 PolarHBondContact O-N 3.14Å; N31-T34 VanDerWaalsContact O-N 3.1Å; N31-T34 PolarHBondContact O-OG1 2.9Å; N31-V35 WeakPolarHBondContact O-CG2 3.49Å; N31-V35 PolarHBondContact O-N 2.86Å
32Y93.4Very high91.8Very high166 Ų16698 Ų9865%0.65151%0.514SS*.Hα-helixtrans-56.5-40.6174.9-179.9-101.7000112.3L28 V35 S36L28-Y32 VanDerWaalsContact O-CB 3.28Å; L28-Y32 WeakPolarHBondContact O-CB 3.48Å; L28-Y32 PolarHBondContact O-N 3.23Å; Y32-V35 PolarHBondContact O-N 3Å; Y32-S36 WeakPolarHBondContact O-CA 3.47Å; Y32-S36 WeakPolarHBondContact O-CB 3.4Å; Y32-S36 PolarHBondContact O-N 2.95Å
33W92.5Very high91.9Very high181 Ų18196.4 Ų96.469%0.68651%0.508SS*.Hα-helixtrans-61.8-48174.3-176.6-89.9000111.7A29 F30 N31 V35 S36 N37A29-W33 WeakPolarHBondContact O-CB 3.11Å; A29-W33 PolarHBondContact O-N 3.49Å; F30-W33 PolarHBondContact O-N 3.5Å; N31-W33 VanDerWaalsContact C-N 3.29Å; N31-W33 PolarHBondContact O-N 3.19Å; W33-V35 VanDerWaalsContact C-N 3.34Å; W33-V35 PolarHBondContact O-N 2.98Å; W33-S36 PolarHBondContact O-N 3.49Å; W33-N37 WeakPolarHBondContact O-CB 3.48Å; W33-N37 PolarHBondContact O-N 3.34Å
34T91.3Very high91.8Very high50 Ų5098.2 Ų98.231%0.30751%0.514SS..Hα-helixtrans-66.6-32.1178.4610000113.6F30 N31 K38F30-T34 HydrophobicContact CD1-CG2 4.28Å; F30-T34 HydrophobicContact CE1-CG2 3.84Å; F30-T34 HydrophobicContact CE2-CG2 4.21Å; F30-T34 HydrophobicContact CZ-CG2 3.8Å; F30-T34 WeakPolarHBondContact O-CG2 3.42Å; F30-T34 PolarHBondContact O-N 2.94Å; F30-T34 PolarHBondContact O-OG1 3.3Å; N31-T34 PolarHBondContact O-N 3.14Å; N31-T34 VanDerWaalsContact O-N 3.1Å; N31-T34 PolarHBondContact O-OG1 2.9Å; T34-K38 VanDerWaalsContact O-CG 3.31Å; T34-K38 WeakPolarHBondContact O-CG 3.5Å; T34-K38 PolarHBondContact O-N 3.44Å
35V93.3Very high91.9Very high81 Ų8198.6 Ų98.649%0.49152%0.515SS..Hα-helixtrans-76.2-43.9175.1173.40000110.9N31 Y32 W33 K38 H39N31-V35 WeakPolarHBondContact O-CG2 3.49Å; N31-V35 PolarHBondContact O-N 2.86Å; Y32-V35 PolarHBondContact O-N 3Å; W33-V35 VanDerWaalsContact C-N 3.34Å; W33-V35 PolarHBondContact O-N 2.98Å; V35-K38 PolarHBondContact O-N 2.89Å; V35-H39 WeakPolarHBondContact O-CB 3.29Å; V35-H39 PolarHBondContact O-N 3.35Å
36S90.8Very high91.9Very high54 Ų5499.8 Ų99.838%0.37852%0.521SS..Hα-helixtrans-64.6-41177.8-173.40000111.7Y32 W33 K38 H39 G40Y32-S36 WeakPolarHBondContact O-CA 3.47Å; Y32-S36 WeakPolarHBondContact O-CB 3.4Å; Y32-S36 PolarHBondContact O-N 2.95Å; W33-S36 PolarHBondContact O-N 3.49Å; S36-K38 VanDerWaalsContact C-N 3.34Å; S36-K38 PolarHBondContact O-N 3.42Å; S36-H39 PolarHBondContact O-N 3.47Å; S36-H39 VanDerWaalsContact O-N 3.15Å; S36-G40 PolarHBondContact O-N 2.9Å
37N88.4Confident91.8Very high113 Ų11399.9 Ų99.960%0.60452%0.518SS*.Hα-helixtrans-63-39.4175.1-167.660.5000112.1W33 H41W33-N37 WeakPolarHBondContact O-CB 3.48Å; W33-N37 PolarHBondContact O-N 3.34Å; N37-H41 PolarHBondContact O-N 3.16Å; N37-H41 VanDerWaalsContact O-N 3.15Å
38K91.5Very high91.8Very high143 Ų143101.9 Ų101.962%0.62252%0.521SS*.Hα-helixtrans-66.7-41.8170.9-73.4173.5179.7-177.40111.9T34 V35 S36 G40 H41 L42T34-K38 VanDerWaalsContact O-CG 3.31Å; T34-K38 WeakPolarHBondContact O-CG 3.5Å; T34-K38 PolarHBondContact O-N 3.44Å; V35-K38 PolarHBondContact O-N 2.89Å; S36-K38 VanDerWaalsContact C-N 3.34Å; S36-K38 PolarHBondContact O-N 3.42Å; K38-G40 VanDerWaalsContact C-N 3.31Å; K38-G40 PolarHBondContact O-N 3.38Å; K38-H41 WeakPolarHBondContact O-CB 3.46Å; K38-H41 PolarHBondContact O-N 2.92Å; K38-L42 VanDerWaalsContact O-CD1 3.3Å; K38-L42 WeakPolarHBondContact O-CD1 3.22Å; K38-L42 PolarHBondContact O-N 2.93Å
39H91.1Very high91.8Very high110 Ų110100.8 Ų100.851%0.50952%0.515SS..Hα-helixtrans-65.2-36.5178.8-1679.7000111.7V35 S36 L42 L43V35-H39 WeakPolarHBondContact O-CB 3.29Å; V35-H39 PolarHBondContact O-N 3.35Å; S36-H39 PolarHBondContact O-N 3.47Å; S36-H39 VanDerWaalsContact O-N 3.15Å; H39-L42 PolarHBondContact O-N 3.22Å; H39-L43 WeakPolarHBondContact O-CB 3.44Å; H39-L43 VanDerWaalsContact O-CG 3.25Å; H39-L43 WeakPolarHBondContact O-CG 3.41Å; H39-L43 PolarHBondContact O-N 3.25Å
40G89.3Confident91.7Very high37 Ų37103.5 Ų103.538%0.38152%0.518SS..Hα-helixtrans-59.3-46.817000000112.3S36 K38 L42 L43 D44S36-G40 PolarHBondContact O-N 2.9Å; K38-G40 VanDerWaalsContact C-N 3.31Å; K38-G40 PolarHBondContact O-N 3.38Å; G40-L42 PolarHBondContact O-N 2.81Å; G40-L43 PolarHBondContact O-N 3.25Å; G40-D44 PolarHBondContact O-N 2.98Å
41H90Very high91.5Very high119 Ų11999.1 Ų99.155%0.55150%0.503SS*.Hα-helixtrans-58.6-46.2174.2-161.9-80.8000112.1N37 K38 L43 D44 E45N37-H41 PolarHBondContact O-N 3.16Å; N37-H41 VanDerWaalsContact O-N 3.15Å; K38-H41 WeakPolarHBondContact O-CB 3.46Å; K38-H41 PolarHBondContact O-N 2.92Å; H41-L43 VanDerWaalsContact C-N 3.3Å; H41-L43 PolarHBondContact O-N 2.91Å; H41-D44 PolarHBondContact O-N 2.84Å; H41-E45 IonicContact CE1-OE1 3.04Å; H41-E45 PolarHBondContact CE1-OE1 3.44Å; H41-E45 IonicContact ND1-OE1 2.81Å; H41-E45 PolarHBondContact ND1-OE1 2.86Å; H41-E45 WeakPolarHBondContact O-CG 3.4Å; H41-E45 PolarHBondContact O-N 2.86Å
42L91.5Very high91.4Very high91 Ų91100.4 Ų100.448%0.47651%0.506SS..Hα-helixtrans-65.5-30.6176.6-91.769.8000113K38 H39 G40 L46K38-L42 VanDerWaalsContact O-CD1 3.3Å; K38-L42 WeakPolarHBondContact O-CD1 3.22Å; K38-L42 PolarHBondContact O-N 2.93Å; H39-L42 PolarHBondContact O-N 3.22Å; G40-L42 PolarHBondContact O-N 2.81Å; L42-L46 WeakPolarHBondContact O-CB 3.35Å; L42-L46 WeakPolarHBondContact O-CG 3.32Å; L42-L46 PolarHBondContact O-N 3.21Å
43L90.4Very high91.4Very high95 Ų9595.7 Ų95.750%0.49750%0.495SS..Hα-helixtrans-73.5-34.3174.5-74.3166.8000111.8H39 G40 H41 A47H39-L43 WeakPolarHBondContact O-CB 3.44Å; H39-L43 VanDerWaalsContact O-CG 3.25Å; H39-L43 WeakPolarHBondContact O-CG 3.41Å; H39-L43 PolarHBondContact O-N 3.25Å; G40-L43 PolarHBondContact O-N 3.25Å; H41-L43 VanDerWaalsContact C-N 3.3Å; H41-L43 PolarHBondContact O-N 2.91Å; L43-A47 WeakPolarHBondContact O-CB 3.39Å; L43-A47 PolarHBondContact O-N 3.5Å
44D90.8Very high91.4Very high123 Ų12392.7 Ų92.766%0.65849%0.487SS*.Hα-helixtrans-72.8-42.4175.3-152.131.4000111.2G40 H41 L46 A47 E48G40-D44 PolarHBondContact O-N 2.98Å; H41-D44 PolarHBondContact O-N 2.84Å; D44-L46 VanDerWaalsContact C-N 3.35Å; D44-L46 PolarHBondContact O-N 2.81Å; D44-A47 CarbonylContact O-C 3.6Å; D44-A47 WeakPolarHBondContact O-CB 3.49Å; D44-A47 PolarHBondContact O-N 3.49Å; D44-A47 VanDerWaalsContact O-N 3.12Å; D44-E48 PolarHBondContact O-N 2.86Å
45E93.8Very high91.4Very high84 Ų8498 Ų9839%0.39350%0.501SS..Hα-helixtrans-55.3-47168.5-75.5170.8-179.400111.6H41 A47 E48 I49H41-E45 IonicContact CE1-OE1 3.04Å; H41-E45 PolarHBondContact CE1-OE1 3.44Å; H41-E45 IonicContact ND1-OE1 2.81Å; H41-E45 PolarHBondContact ND1-OE1 2.86Å; H41-E45 WeakPolarHBondContact O-CG 3.4Å; H41-E45 PolarHBondContact O-N 2.86Å; E45-A47 VanDerWaalsContact C-N 3.33Å; E45-A47 PolarHBondContact O-N 2.73Å; E45-E48 PolarHBondContact O-N 3.19Å; E45-I49 WeakPolarHBondContact O-CB 3.39Å; E45-I49 WeakPolarHBondContact O-CD1 3.25Å; E45-I49 VanDerWaalsContact O-CG1 3.22Å; E45-I49 WeakPolarHBondContact O-CG1 3.48Å; E45-I49 PolarHBondContact O-N 2.87Å
46L91.2Very high91.3Very high110 Ų11097.2 Ų97.258%0.57650%0.499SS*.Hα-helixtrans-64.5-36.3176.3-77.5171.4000112.1L42 D44 Q50L42-L46 WeakPolarHBondContact O-CB 3.35Å; L42-L46 WeakPolarHBondContact O-CG 3.32Å; L42-L46 PolarHBondContact O-N 3.21Å; D44-L46 VanDerWaalsContact C-N 3.35Å; D44-L46 PolarHBondContact O-N 2.81Å; L46-Q50 VanDerWaalsContact O-CB 3.23Å; L46-Q50 WeakPolarHBondContact O-CB 3.28Å; L46-Q50 PolarHBondContact O-N 3.15Å
47A91.1Very high91.4Very high44 Ų4498.6 Ų98.636%0.36450%0.502SS..Hα-helixtrans-67.2-45.8174.700000111.5L43 D44 E45 Q50 T51L43-A47 WeakPolarHBondContact O-CB 3.39Å; L43-A47 PolarHBondContact O-N 3.5Å; D44-A47 CarbonylContact O-C 3.6Å; D44-A47 WeakPolarHBondContact O-CB 3.49Å; D44-A47 PolarHBondContact O-N 3.49Å; D44-A47 VanDerWaalsContact O-N 3.12Å; E45-A47 VanDerWaalsContact C-N 3.33Å; E45-A47 PolarHBondContact O-N 2.73Å; A47-Q50 PolarHBondContact O-N 3.39Å; A47-T51 WeakPolarHBondContact O-CG2 3.33Å; A47-T51 PolarHBondContact O-N 2.88Å
48E92.4Very high91.5Very high134 Ų13495.7 Ų95.763%0.62649%0.494SS*.Hα-helixtrans-59.8-52.7176-179167.7-149.300110.8D44 E45 Q50 T51 Q52D44-E48 PolarHBondContact O-N 2.86Å; E45-E48 PolarHBondContact O-N 3.19Å; E48-Q50 VanDerWaalsContact C-N 3.27Å; E48-Q50 PolarHBondContact O-N 2.92Å; E48-T51 CarbonylContact O-C 3.54Å; E48-T51 WeakPolarHBondContact O-CA 3.5Å; E48-T51 PolarHBondContact O-N 3.32Å; E48-T51 PolarHBondContact O-OG1 2.98Å; E48-Q52 PolarHBondContact O-N 3Å
49I93.4Very high91.5Very high89 Ų8991.8 Ų91.846%0.45649%0.488SS..Hα-helixtrans-56.5-41.8176.4-68.7166.1000110.4E45 T51 Q52 V53E45-I49 WeakPolarHBondContact O-CB 3.39Å; E45-I49 WeakPolarHBondContact O-CD1 3.25Å; E45-I49 VanDerWaalsContact O-CG1 3.22Å; E45-I49 WeakPolarHBondContact O-CG1 3.48Å; E45-I49 PolarHBondContact O-N 2.87Å; I49-T51 VanDerWaalsContact C-N 3.32Å; I49-T51 PolarHBondContact O-N 3.33Å; I49-Q52 WeakPolarHBondContact O-CB 3.47Å; I49-Q52 PolarHBondContact O-N 3.19Å; I49-Q52 VanDerWaalsContact O-N 3.15Å; I49-V53 HydrophobicContact CG2-CG2 4.33Å; I49-V53 WeakPolarHBondContact O-CG2 3.32Å; I49-V53 PolarHBondContact O-N 2.91Å
50Q92.3Very high91.7Very high111 Ų11194.7 Ų94.752%0.51950%0.495SS..Hα-helixtrans-64.3-34.5176.2-158.4-162.247.300112.3L46 A47 E48 K54L46-Q50 VanDerWaalsContact O-CB 3.23Å; L46-Q50 WeakPolarHBondContact O-CB 3.28Å; L46-Q50 PolarHBondContact O-N 3.15Å; A47-Q50 PolarHBondContact O-N 3.39Å; E48-Q50 VanDerWaalsContact C-N 3.27Å; E48-Q50 PolarHBondContact O-N 2.92Å; Q50-K54 WeakPolarHBondContact O-CB 3.34Å; Q50-K54 WeakPolarHBondContact O-CD 3.38Å; Q50-K54 WeakPolarHBondContact O-CG 3.15Å; Q50-K54 PolarHBondContact O-N 3.03Å; Q50-K54 VanDerWaalsContact O-N 3.14Å
51T89.4Confident91.9Very high53 Ų5395.5 Ų95.533%0.32549%0.494SS..Hα-helixtrans-72.2-35.1171.470.40000112.6A47 E48 I49 K54 R55A47-T51 WeakPolarHBondContact O-CG2 3.33Å; A47-T51 PolarHBondContact O-N 2.88Å; E48-T51 CarbonylContact O-C 3.54Å; E48-T51 WeakPolarHBondContact O-CA 3.5Å; E48-T51 PolarHBondContact O-N 3.32Å; E48-T51 PolarHBondContact O-OG1 2.98Å; I49-T51 VanDerWaalsContact C-N 3.32Å; I49-T51 PolarHBondContact O-N 3.33Å; T51-K54 PolarHBondContact O-N 2.97Å; T51-R55 VanDerWaalsContact O-CG 3.27Å; T51-R55 WeakPolarHBondContact O-CG 3.22Å; T51-R55 PolarHBondContact O-N 2.82Å; T51-R55 PolarHBondContact OG1-NH1 2.66Å
52Q91.4Very high92.1Very high120 Ų12098.8 Ų98.856%0.56150%0.502SS*.Hα-helixtrans-63.8-47.4176.1-167.5-176.722.500110.7E48 I49 R55 S56E48-Q52 PolarHBondContact O-N 3Å; I49-Q52 WeakPolarHBondContact O-CB 3.47Å; I49-Q52 PolarHBondContact O-N 3.19Å; I49-Q52 VanDerWaalsContact O-N 3.15Å; Q52-R55 WeakPolarHBondContact O-CB 3.41Å; Q52-R55 PolarHBondContact O-N 2.81Å; Q52-R55 VanDerWaalsContact O-N 3.15Å; Q52-S56 PolarHBondContact O-N 3.36Å; Q52-S56 PolarHBondContact O-OG 2.93Å
53V93.9Very high92.2Very high67 Ų67100.1 Ų100.141%0.40651%0.509SS..Hα-helixtrans-58.2-49.2174.6170.70000110.8I49 R55 S56 D57I49-V53 HydrophobicContact CG2-CG2 4.33Å; I49-V53 WeakPolarHBondContact O-CG2 3.32Å; I49-V53 PolarHBondContact O-N 2.91Å; V53-R55 VanDerWaalsContact C-N 3.26Å; V53-R55 PolarHBondContact O-N 3.23Å; V53-S56 WeakPolarHBondContact CA-OG 3.08Å; V53-S56 PolarHBondContact O-N 2.96Å; V53-S56 VanDerWaalsContact O-N 3.1Å; V53-S56 PolarHBondContact O-OG 3.21Å; V53-D57 WeakPolarHBondContact CG1-OD2 3.5Å; V53-D57 WeakPolarHBondContact O-CB 3.31Å; V53-D57 PolarHBondContact O-N 2.95Å
54K93Very high92.5Very high119 Ų119101.1 Ų101.152%0.51751%0.511SS..Hα-helixtrans-58.4-35.4175.9-72.7165-176.6166.30113Q50 T51 A58Q50-K54 WeakPolarHBondContact O-CB 3.34Å; Q50-K54 WeakPolarHBondContact O-CD 3.38Å; Q50-K54 WeakPolarHBondContact O-CG 3.15Å; Q50-K54 PolarHBondContact O-N 3.03Å; Q50-K54 VanDerWaalsContact O-N 3.14Å; T51-K54 PolarHBondContact O-N 2.97Å; K54-A58 WeakPolarHBondContact O-CB 3.22Å; K54-A58 PolarHBondContact O-N 2.86Å
55R90.3Very high92.7Very high162 Ų162101.3 Ų101.361%0.61151%0.506SS*.Hα-helixtrans-70.9-43.3174.3-70.4169.8-170.4128.61111.8T51 Q52 V53 A58 A59T51-R55 VanDerWaalsContact O-CG 3.27Å; T51-R55 WeakPolarHBondContact O-CG 3.22Å; T51-R55 PolarHBondContact O-N 2.82Å; T51-R55 PolarHBondContact OG1-NH1 2.66Å; Q52-R55 WeakPolarHBondContact O-CB 3.41Å; Q52-R55 PolarHBondContact O-N 2.81Å; Q52-R55 VanDerWaalsContact O-N 3.15Å; V53-R55 VanDerWaalsContact C-N 3.26Å; V53-R55 PolarHBondContact O-N 3.23Å; R55-A58 PolarHBondContact O-N 3.48Å; R55-A59 PolarHBondContact O-N 3.08Å; R55-A59 VanDerWaalsContact O-N 3.13Å
56S90.9Very high92.8Very high64 Ų64105.6 Ų105.645%0.44852%0.519SS..Hα-helixtrans-68-35.9177.455.60000112.5Q52 V53 A59 R60Q52-S56 PolarHBondContact O-N 3.36Å; Q52-S56 PolarHBondContact O-OG 2.93Å; V53-S56 WeakPolarHBondContact CA-OG 3.08Å; V53-S56 PolarHBondContact O-N 2.96Å; V53-S56 VanDerWaalsContact O-N 3.1Å; V53-S56 PolarHBondContact O-OG 3.21Å; S56-A59 PolarHBondContact O-N 3.18Å; S56-R60 VanDerWaalsContact O-CB 3.31Å; S56-R60 WeakPolarHBondContact O-CB 3.34Å; S56-R60 PolarHBondContact O-N 2.81Å
57D92.6Very high93.1Very high82 Ų82104.4 Ų104.444%0.43951%0.513SS..Hα-helixtrans-68.1-39.4176.9-67.3-20.7000111.4V53 A59 R60 S61V53-D57 WeakPolarHBondContact CG1-OD2 3.5Å; V53-D57 WeakPolarHBondContact O-CB 3.31Å; V53-D57 PolarHBondContact O-N 2.95Å; D57-A59 VanDerWaalsContact C-N 3.3Å; D57-A59 PolarHBondContact O-N 3.13Å; D57-R60 PolarHBondContact O-N 2.83Å; D57-S61 WeakPolarHBondContact O-CB 3.43Å; D57-S61 PolarHBondContact O-N 3.04Å
58A91.6Very high93.4Very high52 Ų52105.3 Ų105.343%0.4352%0.516SS..Hα-helixtrans-63.8-33.8172.500000112.7K54 R55 R62K54-A58 WeakPolarHBondContact O-CB 3.22Å; K54-A58 PolarHBondContact O-N 2.86Å; R55-A58 PolarHBondContact O-N 3.48Å; A58-R62 WeakPolarHBondContact O-CD 3.49Å; A58-R62 VanDerWaalsContact O-CG 3.31Å; A58-R62 WeakPolarHBondContact O-CG 3.48Å; A58-R62 PolarHBondContact O-N 2.96Å
59A91.9Very high93.6Very high61 Ų61103.9 Ų103.950%0.50451%0.509SS..Hα-helixtrans-72.8-44.4172.500000111.9R55 S56 D57 R62 L63R55-A59 PolarHBondContact O-N 3.08Å; R55-A59 VanDerWaalsContact O-N 3.13Å; S56-A59 PolarHBondContact O-N 3.18Å; D57-A59 VanDerWaalsContact C-N 3.3Å; D57-A59 PolarHBondContact O-N 3.13Å; A59-R62 PolarHBondContact O-N 2.82Å; A59-L63 PolarHBondContact O-N 3.07Å
60R94Very high93.8Very high172 Ų172104.3 Ų104.365%0.64951%0.512SS*.Hα-helixtrans-58.9-48.1177.2-177.5176.7178.71512.7111.3S56 D57 R62 L63 E64S56-R60 VanDerWaalsContact O-CB 3.31Å; S56-R60 WeakPolarHBondContact O-CB 3.34Å; S56-R60 PolarHBondContact O-N 2.81Å; D57-R60 PolarHBondContact O-N 2.83Å; R60-R62 VanDerWaalsContact C-N 3.29Å; R60-R62 PolarHBondContact O-N 3.37Å; R60-L63 PolarHBondContact O-N 3.32Å; R60-L63 VanDerWaalsContact O-N 3.09Å; R60-E64 VanDerWaalsContact O-CB 3.28Å; R60-E64 WeakPolarHBondContact O-CB 3.46Å; R60-E64 PolarHBondContact O-N 3.46Å
61S94.1Very high94.1Very high54 Ų54103.2 Ų103.238%0.37851%0.509SS..Hα-helixtrans-61.2-34.3178-176.50000112.9D57 K65D57-S61 WeakPolarHBondContact O-CB 3.43Å; D57-S61 PolarHBondContact O-N 3.04Å; S61-K65 WeakPolarHBondContact O-CG 3.18Å; S61-K65 PolarHBondContact O-N 2.99Å
62R94.1Very high94.5Very high188 Ų188105 Ų10571%0.70952%0.52SS*.Hα-helixtrans-69.5-38.5173.6-71.1170.8-179.6-167.8-0112.4A58 A59 R60 R66A58-R62 WeakPolarHBondContact O-CD 3.49Å; A58-R62 VanDerWaalsContact O-CG 3.31Å; A58-R62 WeakPolarHBondContact O-CG 3.48Å; A58-R62 PolarHBondContact O-N 2.96Å; A59-R62 PolarHBondContact O-N 2.82Å; R60-R62 VanDerWaalsContact C-N 3.29Å; R60-R62 PolarHBondContact O-N 3.37Å; R62-R66 PolarHBondContact O-N 3.4Å
63L94.8Very high94.8Very high119 Ų119104.3 Ų104.362%0.62352%0.516SS*.Hα-helixtrans-71-40.7176.4-173150000111.2A59 R60 R66 N67A59-L63 PolarHBondContact O-N 3.07Å; R60-L63 PolarHBondContact O-N 3.32Å; R60-L63 VanDerWaalsContact O-N 3.09Å; L63-R66 PolarHBondContact O-N 2.89Å; L63-N67 WeakPolarHBondContact O-CB 3.39Å; L63-N67 PolarHBondContact O-N 3.24Å
64E95.3Very high95Very high115 Ų115105.8 Ų105.854%0.53753%0.525SS..Hα-helixtrans-62-41.8176.4-175.3167.4-144.100112R60 N67 S68R60-E64 VanDerWaalsContact O-CB 3.28Å; R60-E64 WeakPolarHBondContact O-CB 3.46Å; R60-E64 PolarHBondContact O-N 3.46Å; E64-N67 WeakPolarHBondContact O-CB 3.41Å; E64-N67 PolarHBondContact O-N 3.45Å; E64-S68 PolarHBondContact O-N 2.87Å; E64-S68 PolarHBondContact O-OG 3.43Å
65K96.4Very high95.3Very high127 Ų127103.9 Ų103.955%0.55252%0.521SS*.Hα-helixtrans-57.8-53.8170.8-77.3178.6-179.3-168.40112.1S61 N67 S68 E69S61-K65 WeakPolarHBondContact O-CG 3.18Å; S61-K65 PolarHBondContact O-N 2.99Å; K65-N67 PolarHBondContact O-N 3.25Å; K65-S68 PolarHBondContact O-N 2.99Å; K65-S68 VanDerWaalsContact O-N 3.08Å; K65-S68 PolarHBondContact O-OG 3.01Å; K65-E69 VanDerWaalsContact O-CG 3.32Å; K65-E69 WeakPolarHBondContact O-CG 3.39Å; K65-E69 PolarHBondContact O-N 2.87Å
66R95.9Very high95.7Very high175 Ų17599.2 Ų99.266%0.6651%0.511SS*.Hα-helixtrans-59.1-35.4175.9-71-177.7-176.5167.8-0.8113.1R62 L63 E69 L70R62-R66 PolarHBondContact O-N 3.4Å; L63-R66 PolarHBondContact O-N 2.89Å; R66-E69 PolarHBondContact O-N 3.33Å; R66-L70 WeakPolarHBondContact O-CB 3.39Å; R66-L70 VanDerWaalsContact O-CG 3.25Å; R66-L70 WeakPolarHBondContact O-CG 3.45Å; R66-L70 PolarHBondContact O-N 2.81Å
67N97.3Very high96Very high85 Ų85101.3 Ų101.346%0.45551%0.513SS..Hα-helixtrans-66-45175.5-164.611.3000110.6L63 E64 K65 E69 L70 I71L63-N67 WeakPolarHBondContact O-CB 3.39Å; L63-N67 PolarHBondContact O-N 3.24Å; E64-N67 WeakPolarHBondContact O-CB 3.41Å; E64-N67 PolarHBondContact O-N 3.45Å; K65-N67 PolarHBondContact O-N 3.25Å; N67-E69 PolarHBondContact O-N 3.39Å; N67-L70 PolarHBondContact O-N 2.74Å; N67-I71 WeakPolarHBondContact O-CB 3.23Å; N67-I71 WeakPolarHBondContact O-CD1 3.46Å; N67-I71 VanDerWaalsContact O-CG1 3.24Å; N67-I71 WeakPolarHBondContact O-CG1 3.35Å; N67-I71 PolarHBondContact O-N 2.63Å
68S97.1Very high96.3Very high62 Ų62103.2 Ų103.243%0.43452%0.518SS..Hα-helixtrans-64-36.9174.268.40000113.2E64 K65 I71 V72E64-S68 PolarHBondContact O-N 2.87Å; E64-S68 PolarHBondContact O-OG 3.43Å; K65-S68 PolarHBondContact O-N 2.99Å; K65-S68 VanDerWaalsContact O-N 3.08Å; K65-S68 PolarHBondContact O-OG 3.01Å; S68-I71 PolarHBondContact O-N 3.5Å; S68-V72 WeakPolarHBondContact O-CG2 3.31Å; S68-V72 PolarHBondContact O-N 2.86Å
69E96.8Very high96.6Very high104 Ų104107.5 Ų107.549%0.48653%0.526SS..Hα-helixtrans-62.8-44.6173.2-69.5156.8-161.300111.2K65 R66 N67 V72 Q73K65-E69 VanDerWaalsContact O-CG 3.32Å; K65-E69 WeakPolarHBondContact O-CG 3.39Å; K65-E69 PolarHBondContact O-N 2.87Å; R66-E69 PolarHBondContact O-N 3.33Å; N67-E69 PolarHBondContact O-N 3.39Å; E69-V72 PolarHBondContact O-N 3.11Å; E69-Q73 WeakPolarHBondContact O-CG 3.34Å; E69-Q73 PolarHBondContact O-N 2.88Å
70L97.9Very high96.9Very high99 Ų99109.7 Ų109.752%0.51853%0.526SS..Hα-helixtrans-67.3-39.3176.5-73.8167.5000112.6R66 N67 Q73 V74R66-L70 WeakPolarHBondContact O-CB 3.39Å; R66-L70 VanDerWaalsContact O-CG 3.25Å; R66-L70 WeakPolarHBondContact O-CG 3.45Å; R66-L70 PolarHBondContact O-N 2.81Å; N67-L70 PolarHBondContact O-N 2.74Å; L70-Q73 PolarHBondContact O-N 2.71Å; L70-V74 WeakPolarHBondContact O-CG2 3.42Å; L70-V74 PolarHBondContact O-N 2.71Å
71I97.3Very high97.1Very high88 Ų88106.1 Ų106.145%0.45152%0.519SS..Hα-helixtrans-61.4-45.9174.8-70.8162.5000110.2N67 S68 Q73 V74 D75N67-I71 WeakPolarHBondContact O-CB 3.23Å; N67-I71 WeakPolarHBondContact O-CD1 3.46Å; N67-I71 VanDerWaalsContact O-CG1 3.24Å; N67-I71 WeakPolarHBondContact O-CG1 3.35Å; N67-I71 PolarHBondContact O-N 2.63Å; S68-I71 PolarHBondContact O-N 3.5Å; I71-Q73 VanDerWaalsContact C-N 3.33Å; I71-Q73 PolarHBondContact O-N 3.31Å; I71-V74 PolarHBondContact O-N 3.02Å; I71-D75 PolarHBondContact O-N 3.32Å
72V97.6Very high97.3Very high91 Ų91107.8 Ų107.855%0.55252%0.524SS*.Hα-helixtrans-63.1-38.61761710000111.6S68 E69 D75 T76S68-V72 WeakPolarHBondContact O-CG2 3.31Å; S68-V72 PolarHBondContact O-N 2.86Å; E69-V72 PolarHBondContact O-N 3.11Å; V72-D75 PolarHBondContact O-N 2.9Å; V72-T76 WeakPolarHBondContact O-CB 3.49Å; V72-T76 PolarHBondContact O-N 3.37Å; V72-T76 PolarHBondContact O-OG1 3.19Å; V72-T76 VanDerWaalsContact O-OG1 3.05Å
73Q98.2Very high97.6Very high104 Ų104104.4 Ų104.449%0.48652%0.516SS..Hα-helixtrans-62.9-44.1172.9-73.2171.420.800112.1E69 L70 I71 T76 H77E69-Q73 WeakPolarHBondContact O-CG 3.34Å; E69-Q73 PolarHBondContact O-N 2.88Å; L70-Q73 PolarHBondContact O-N 2.71Å; I71-Q73 VanDerWaalsContact C-N 3.33Å; I71-Q73 PolarHBondContact O-N 3.31Å; Q73-T76 PolarHBondContact O-N 3.38Å; Q73-H77 WeakPolarHBondContact O-CB 3.36Å; Q73-H77 PolarHBondContact O-CD2 2.99Å; Q73-H77 PolarHBondContact O-N 3.48Å
74V98.4Very high97.7Very high98 Ų98104.5 Ų104.559%0.59451%0.511SS*.Hα-helixtrans-63-44.4176.9169.10000111.2L70 I71 T76 H77 K78L70-V74 WeakPolarHBondContact O-CG2 3.42Å; L70-V74 PolarHBondContact O-N 2.71Å; I71-V74 PolarHBondContact O-N 3.02Å; V74-T76 VanDerWaalsContact C-N 3.33Å; V74-T76 PolarHBondContact O-N 2.86Å; V74-H77 PolarHBondContact O-N 3.43Å; V74-K78 VanDerWaalsContact O-CB 3.3Å; V74-K78 WeakPolarHBondContact O-CB 3.33Å; V74-K78 PolarHBondContact O-N 2.87Å
75D98.2Very high97.9Very high79 Ų79103.4 Ų103.442%0.42251%0.509SS..Hα-helixtrans-63.4-37.1174.9-82.2-19.3000112.4I71 V72 K79I71-D75 PolarHBondContact O-N 3.32Å; V72-D75 PolarHBondContact O-N 2.9Å; D75-K79 WeakPolarHBondContact O-CD 3.32Å; D75-K79 VanDerWaalsContact O-CG 3.28Å; D75-K79 WeakPolarHBondContact O-CG 3.48Å; D75-K79 PolarHBondContact O-N 2.93Å
76T98.3Very high98Very high65 Ų6599.2 Ų99.240%0.39950%0.502SS..Hα-helixtrans-67.5-45.9175-69.60000111.7V72 Q73 V74 K79 Q80V72-T76 WeakPolarHBondContact O-CB 3.49Å; V72-T76 PolarHBondContact O-N 3.37Å; V72-T76 PolarHBondContact O-OG1 3.19Å; V72-T76 VanDerWaalsContact O-OG1 3.05Å; Q73-T76 PolarHBondContact O-N 3.38Å; V74-T76 VanDerWaalsContact C-N 3.33Å; V74-T76 PolarHBondContact O-N 2.86Å; T76-K79 PolarHBondContact O-N 3.06Å; T76-Q80 WeakPolarHBondContact O-CG 3.44Å; T76-Q80 PolarHBondContact O-N 3.34Å
77H98.4Very high98.1Very high108 Ų10893.7 Ų93.750%0.549%0.486SS..Hα-helixtrans-65.3-39175.9-77.9-60.6000112Q73 V74 Q80 I81Q73-H77 WeakPolarHBondContact O-CB 3.36Å; Q73-H77 PolarHBondContact O-CD2 2.99Å; Q73-H77 PolarHBondContact O-N 3.48Å; V74-H77 PolarHBondContact O-N 3.43Å; H77-Q80 WeakPolarHBondContact O-CB 3.39Å; H77-Q80 PolarHBondContact O-N 2.72Å; H77-I81 WeakPolarHBondContact O-CG1 3.35Å; H77-I81 PolarHBondContact O-N 3.24Å
78K98.5Very high98.1Very high122 Ų12297 Ų9753%0.5349%0.493SS..Hα-helixtrans-59.7-48.6174.2-175.8177.4175.4-179.10111.3V74 Q80 I81 D82V74-K78 VanDerWaalsContact O-CB 3.3Å; V74-K78 WeakPolarHBondContact O-CB 3.33Å; V74-K78 PolarHBondContact O-N 2.87Å; K78-Q80 VanDerWaalsContact C-N 3.26Å; K78-Q80 PolarHBondContact O-N 3.34Å; K78-I81 CarbonylContact O-C 3.59Å; K78-I81 WeakPolarHBondContact O-CA 3.42Å; K78-I81 WeakPolarHBondContact O-CB 3.45Å; K78-I81 PolarHBondContact O-N 3.29Å; K78-D82 VanDerWaalsContact O-CG 3.24Å; K78-D82 PolarHBondContact O-N 3.4Å
79K98.3Very high98.2Very high141 Ų14197.5 Ų97.561%0.61350%0.497SS*.Hα-helixtrans-60.8-33175.5-72.4165.2-175.1167.20113.2D75 T76 Q83D75-K79 WeakPolarHBondContact O-CD 3.32Å; D75-K79 VanDerWaalsContact O-CG 3.28Å; D75-K79 WeakPolarHBondContact O-CG 3.48Å; D75-K79 PolarHBondContact O-N 2.93Å; T76-K79 PolarHBondContact O-N 3.06Å; K79-Q83 VanDerWaalsContact O-CB 3.28Å; K79-Q83 WeakPolarHBondContact O-CB 3.41Å; K79-Q83 PolarHBondContact O-N 3.22Å
80Q98.4Very high98.3Very high107 Ų10797.3 Ų97.350%0.550%0.497SS..Hα-helixtrans-68.4-37.7173-71.8173.62000112.1T76 H77 K78 K84T76-Q80 WeakPolarHBondContact O-CG 3.44Å; T76-Q80 PolarHBondContact O-N 3.34Å; H77-Q80 WeakPolarHBondContact O-CB 3.39Å; H77-Q80 PolarHBondContact O-N 2.72Å; K78-Q80 VanDerWaalsContact C-N 3.26Å; K78-Q80 PolarHBondContact O-N 3.34Å; Q80-K84 WeakPolarHBondContact O-CB 3.36Å; Q80-K84 WeakPolarHBondContact O-CG 3.34Å; Q80-K84 PolarHBondContact O-N 2.95Å
81I98.5Very high98.3Very high98 Ų9897.7 Ų97.750%0.50350%0.499SS..Hα-helixtrans-66.7-52.9173.3-65.9162.5000109.8H77 K78 Q83 K84 D85H77-I81 WeakPolarHBondContact O-CG1 3.35Å; H77-I81 PolarHBondContact O-N 3.24Å; K78-I81 CarbonylContact O-C 3.59Å; K78-I81 WeakPolarHBondContact O-CA 3.42Å; K78-I81 WeakPolarHBondContact O-CB 3.45Å; K78-I81 PolarHBondContact O-N 3.29Å; I81-Q83 PolarHBondContact O-N 3.17Å; I81-K84 CarbonylContact O-C 3.57Å; I81-K84 WeakPolarHBondContact O-CA 3.38Å; I81-K84 PolarHBondContact O-N 2.96Å; I81-D85 WeakPolarHBondContact CG2-OD2 3.49Å; I81-D85 PolarHBondContact O-N 2.95Å
82D98.4Very high98.4Very high89 Ų8999.9 Ų99.948%0.47651%0.507SS..Hα-helixtrans-53.9-40178.3-60.6-32.3000111.6K78 G86K78-D82 VanDerWaalsContact O-CG 3.24Å; K78-D82 PolarHBondContact O-N 3.4Å; D82-G86 PolarHBondContact O-N 3.46Å
83Q98.4Very high98.4Very high117 Ų11797.3 Ų97.355%0.54750%0.499SS..Hα-helixtrans-68.2-45.3173.6179.36456.300112.4K79 I81 D85 G86 D87K79-Q83 VanDerWaalsContact O-CB 3.28Å; K79-Q83 WeakPolarHBondContact O-CB 3.41Å; K79-Q83 PolarHBondContact O-N 3.22Å; I81-Q83 PolarHBondContact O-N 3.17Å; Q83-D85 VanDerWaalsContact C-N 3.35Å; Q83-D85 PolarHBondContact O-N 3.41Å; Q83-G86 PolarHBondContact O-N 2.94Å; Q83-D87 PolarHBondContact NE2-OD1 3.29Å; Q83-D87 VanDerWaalsContact O-CG 3.26Å; Q83-D87 PolarHBondContact O-N 3.09Å
84K98.3Very high98.4Very high120 Ų12098 Ų9852%0.52250%0.5SS..Hα-helixtrans-63.6-39.9179.5-78.9-70.3-180-170.50112.1Q80 I81 G86 D87 Y88Q80-K84 WeakPolarHBondContact O-CB 3.36Å; Q80-K84 WeakPolarHBondContact O-CG 3.34Å; Q80-K84 PolarHBondContact O-N 2.95Å; I81-K84 CarbonylContact O-C 3.57Å; I81-K84 WeakPolarHBondContact O-CA 3.38Å; I81-K84 PolarHBondContact O-N 2.96Å; K84-G86 VanDerWaalsContact C-N 3.32Å; K84-D87 PolarHBondContact O-N 3.02Å; K84-Y88 HydrophobicContact CB-CD2 4.48Å; K84-Y88 HydrophobicContact CB-CE2 4.49Å; K84-Y88 WeakPolarHBondContact O-CB 3.33Å; K84-Y88 WeakPolarHBondContact O-CD2 3.19Å; K84-Y88 PolarHBondContact O-N 3Å
85D98.4Very high98.4Very high92 Ų9299 Ų9949%0.49250%0.501SS..Hα-helixtrans-67-36.7177.3-65.7-11.7000110.7I81 Q83 Y88 S89I81-D85 WeakPolarHBondContact CG2-OD2 3.49Å; I81-D85 PolarHBondContact O-N 2.95Å; Q83-D85 VanDerWaalsContact C-N 3.35Å; Q83-D85 PolarHBondContact O-N 3.41Å; D85-Y88 PolarHBondContact O-N 3.32Å; D85-S89 WeakPolarHBondContact O-CB 3.49Å; D85-S89 PolarHBondContact O-N 3.25Å
86G98.6Very high98.4Very high39 Ų39101.8 Ų101.840%0.40251%0.512SS..Hα-helixtrans-62.9-44.5168.800000113.5D82 Q83 K84 S89 M90D82-G86 PolarHBondContact O-N 3.46Å; Q83-G86 PolarHBondContact O-N 2.94Å; K84-G86 VanDerWaalsContact C-N 3.32Å; G86-S89 PolarHBondContact O-N 3.03Å; G86-M90 WeakPolarHBondContact O-CB 3.45Å; G86-M90 PolarHBondContact O-N 3.12Å
87D98.3Very high98.4Very high59 Ų59101.9 Ų101.932%0.31652%0.519SS..Hα-helixtrans-63-41.9175.4-65.5-23.1000111.4Q83 K84 M90 L91Q83-D87 PolarHBondContact NE2-OD1 3.29Å; Q83-D87 VanDerWaalsContact O-CG 3.26Å; Q83-D87 PolarHBondContact O-N 3.09Å; K84-D87 PolarHBondContact O-N 3.02Å; D87-M90 PolarHBondContact O-N 3.38Å; D87-L91 WeakPolarHBondContact O-CB 3.46Å; D87-L91 PolarHBondContact O-N 3.37Å
88Y98.5Very high98.4Very high155 Ų155105.6 Ų105.661%0.60853%0.529SS*.Hα-helixtrans-64.8-47.5176.5-82.4-59000111.7K84 D85 M90 L91 E92K84-Y88 HydrophobicContact CB-CD2 4.48Å; K84-Y88 HydrophobicContact CB-CE2 4.49Å; K84-Y88 WeakPolarHBondContact O-CB 3.33Å; K84-Y88 WeakPolarHBondContact O-CD2 3.19Å; K84-Y88 PolarHBondContact O-N 3Å; D85-Y88 PolarHBondContact O-N 3.32Å; Y88-M90 VanDerWaalsContact C-N 3.28Å; Y88-M90 PolarHBondContact O-N 2.88Å; Y88-L91 CarbonylContact O-C 3.59Å; Y88-L91 PolarHBondContact O-N 3.42Å; Y88-E92 WeakPolarHBondContact O-CB 3.47Å; Y88-E92 PolarHBondContact O-N 2.89Å
89S98.5Very high98.4Very high73 Ų73105.9 Ų105.951%0.5153%0.532SS..Hα-helixtrans-62.7-36.1177.2-173.90000112D85 G86 G93D85-S89 WeakPolarHBondContact O-CB 3.49Å; D85-S89 PolarHBondContact O-N 3.25Å; G86-S89 PolarHBondContact O-N 3.03Å; S89-G93 PolarHBondContact O-N 3.02Å
90M98.4Very high98.4Very high99 Ų99100.9 Ų100.949%0.48852%0.52SS..Hα-helixtrans-65.7-37.8172.3-167.6-139.6-55.200112.3G86 D87 Y88 K94G86-M90 WeakPolarHBondContact O-CB 3.45Å; G86-M90 PolarHBondContact O-N 3.12Å; D87-M90 PolarHBondContact O-N 3.38Å; Y88-M90 VanDerWaalsContact C-N 3.28Å; Y88-M90 PolarHBondContact O-N 2.88Å; M90-K94 WeakPolarHBondContact O-CD 3.46Å; M90-K94 VanDerWaalsContact O-CG 3.28Å; M90-K94 WeakPolarHBondContact O-CG 3.28Å; M90-K94 PolarHBondContact O-N 3.24Å; M90-K94 VanDerWaalsContact O-N 3.15Å; M90-K94 PolarHBondContact SD-NZ 3.04Å
91L98.4Very high98.4Very high108 Ų10898.2 Ų98.257%0.56552%0.517SS*.Hα-helixtrans-72.5-39.4177.4-175.761000111.9D87 Y88 K94 L95D87-L91 WeakPolarHBondContact O-CB 3.46Å; D87-L91 PolarHBondContact O-N 3.37Å; Y88-L91 CarbonylContact O-C 3.59Å; Y88-L91 PolarHBondContact O-N 3.42Å; L91-K94 WeakPolarHBondContact O-CB 3.48Å; L91-K94 PolarHBondContact O-N 3.34Å; L91-L95 WeakPolarHBondContact O-CB 3.37Å; L91-L95 PolarHBondContact O-N 3.38Å
92E98.4Very high98.4Very high134 Ų13499.1 Ų99.163%0.62652%0.521SS*.Hα-helixtrans-60.9-48.5173.2-178.2179.7-149.800111.1Y88 K94 L95 Q96Y88-E92 WeakPolarHBondContact O-CB 3.47Å; Y88-E92 PolarHBondContact O-N 2.89Å; E92-K94 VanDerWaalsContact C-N 3.29Å; E92-K94 PolarHBondContact O-N 3.38Å; E92-L95 WeakPolarHBondContact O-CB 3.44Å; E92-L95 PolarHBondContact O-N 3.02Å; E92-L95 VanDerWaalsContact O-N 3.07Å; E92-Q96 WeakPolarHBondContact O-CB 3.49Å; E92-Q96 PolarHBondContact O-N 2.93Å
93G98.5Very high98.4Very high36 Ų36101.5 Ų101.537%0.37153%0.527SS..Hα-helixtrans-60.8-35.6174.600000113.2S89 A97S89-G93 PolarHBondContact O-N 3.02Å; G93-A97 VanDerWaalsContact O-CB 3.28Å; G93-A97 WeakPolarHBondContact O-CB 3.4Å; G93-A97 PolarHBondContact O-N 3.41Å
94K98.5Very high98.4Very high119 Ų119102.4 Ų102.452%0.51753%0.529SS..Hα-helixtrans-68.4-39.3172-75.8167.1178.4172.80112.2M90 L91 E92 A97 R98M90-K94 WeakPolarHBondContact O-CD 3.46Å; M90-K94 VanDerWaalsContact O-CG 3.28Å; M90-K94 WeakPolarHBondContact O-CG 3.28Å; M90-K94 PolarHBondContact O-N 3.24Å; M90-K94 VanDerWaalsContact O-N 3.15Å; M90-K94 PolarHBondContact SD-NZ 3.04Å; L91-K94 WeakPolarHBondContact O-CB 3.48Å; L91-K94 PolarHBondContact O-N 3.34Å; E92-K94 VanDerWaalsContact C-N 3.29Å; E92-K94 PolarHBondContact O-N 3.38Å; K94-A97 PolarHBondContact O-N 3.03Å; K94-R98 WeakPolarHBondContact O-CG 3.5Å; K94-R98 PolarHBondContact O-N 2.74Å
95L98.4Very high98.4Very high118 Ų118100.5 Ų100.562%0.61853%0.53SS*.Hα-helixtrans-65.1-49.5177.2-177.360000110.6L91 E92 A97 R98 E99L91-L95 WeakPolarHBondContact O-CB 3.37Å; L91-L95 PolarHBondContact O-N 3.38Å; E92-L95 WeakPolarHBondContact O-CB 3.44Å; E92-L95 PolarHBondContact O-N 3.02Å; E92-L95 VanDerWaalsContact O-N 3.07Å; L95-A97 VanDerWaalsContact C-N 3.31Å; L95-A97 PolarHBondContact O-N 3.19Å; L95-R98 CarbonylContact O-C 3.58Å; L95-R98 WeakPolarHBondContact O-CA 3.21Å; L95-R98 WeakPolarHBondContact O-CB 3.46Å; L95-R98 PolarHBondContact O-N 3.47Å; L95-E99 WeakPolarHBondContact O-CB 3.27Å; L95-E99 PolarHBondContact O-N 3.44Å
96Q98.4Very high98.4Very high139 Ų13999.1 Ų99.165%0.6553%0.528SS*.Hα-helixtrans-60.5-39.2176.3-168.2-176.24600111.9E92 E99 G100E92-Q96 WeakPolarHBondContact O-CB 3.49Å; E92-Q96 PolarHBondContact O-N 2.93Å; Q96-E99 PolarHBondContact O-N 2.88Å; Q96-G100 PolarHBondContact O-N 3.3Å
97A98.4Very high98.4Very high67 Ų67100.9 Ų100.955%0.55453%0.528SS*.Hα-helixtrans-66-35.7173.900000112.8G93 K94 L95 A101G93-A97 VanDerWaalsContact O-CB 3.28Å; G93-A97 WeakPolarHBondContact O-CB 3.4Å; G93-A97 PolarHBondContact O-N 3.41Å; K94-A97 PolarHBondContact O-N 3.03Å; L95-A97 VanDerWaalsContact C-N 3.31Å; L95-A97 PolarHBondContact O-N 3.19Å; A97-A101 PolarHBondContact O-N 2.88Å
98R98.4Very high98.4Very high185 Ų185103.8 Ų103.870%0.69854%0.54SS*.Hα-helixtrans-70.1-45.1173-76.2-65.5-168.5-167.72.7111.8K94 L95 G100 A101 I102K94-R98 WeakPolarHBondContact O-CG 3.5Å; K94-R98 PolarHBondContact O-N 2.74Å; L95-R98 CarbonylContact O-C 3.58Å; L95-R98 WeakPolarHBondContact O-CA 3.21Å; L95-R98 WeakPolarHBondContact O-CB 3.46Å; L95-R98 PolarHBondContact O-N 3.47Å; R98-G100 PolarHBondContact O-N 3.37Å; R98-A101 WeakPolarHBondContact O-CB 3.35Å; R98-A101 PolarHBondContact O-N 3.48Å; R98-A101 VanDerWaalsContact O-N 3.11Å; R98-I102 VanDerWaalsContact O-CG1 3.29Å; R98-I102 WeakPolarHBondContact O-CG1 3.38Å; R98-I102 PolarHBondContact O-N 3.03Å
99E98.4Very high98.4Very high129 Ų129103.1 Ų103.160%0.60354%0.54SS*.Hα-helixtrans-59.7-46176.5-173-177.5-174.400111.4L95 Q96 A101 I102 K103L95-E99 WeakPolarHBondContact O-CB 3.27Å; L95-E99 PolarHBondContact O-N 3.44Å; Q96-E99 PolarHBondContact O-N 2.88Å; E99-A101 VanDerWaalsContact C-N 3.25Å; E99-A101 PolarHBondContact O-N 2.86Å; E99-I102 PolarHBondContact O-N 3.02Å; E99-K103 WeakPolarHBondContact O-CB 3.32Å; E99-K103 PolarHBondContact O-N 2.76Å
100G98.4Very high98.4Very high35 Ų35103.4 Ų103.436%0.36154%0.539SS..Hα-helixtrans-62.8-27.4174.300000114.1Q96 R98 K104Q96-G100 PolarHBondContact O-N 3.3Å; R98-G100 PolarHBondContact O-N 3.37Å; G100-K104 WeakPolarHBondContact O-CG 3.43Å; G100-K104 PolarHBondContact O-N 3.37Å
101A98.4Very high98.4Very high51 Ų51104.9 Ų104.942%0.42154%0.543SS..Hα-helixtrans-79.2-40.9172.100000112.3A97 R98 E99 K103 K104 C105A97-A101 PolarHBondContact O-N 2.88Å; R98-A101 WeakPolarHBondContact O-CB 3.35Å; R98-A101 PolarHBondContact O-N 3.48Å; R98-A101 VanDerWaalsContact O-N 3.11Å; E99-A101 VanDerWaalsContact C-N 3.25Å; E99-A101 PolarHBondContact O-N 2.86Å; A101-K103 VanDerWaalsContact C-N 3.34Å; A101-K103 PolarHBondContact O-N 2.9Å; A101-K104 PolarHBondContact O-N 3.5Å; A101-C105 WeakPolarHBondContact O-CB 3.38Å; A101-C105 PolarHBondContact O-N 3.11Å
102I98.4Very high98.4Very high117 Ų117105.1 Ų105.160%0.654%0.544SS*.Hα-helixtrans-60.7-43.9174.9-70.6162.7000110.2R98 E99 C105 S106R98-I102 VanDerWaalsContact O-CG1 3.29Å; R98-I102 WeakPolarHBondContact O-CG1 3.38Å; R98-I102 PolarHBondContact O-N 3.03Å; E99-I102 PolarHBondContact O-N 3.02Å; I102-C105 PolarHBondContact O-N 3.29Å; I102-S106 WeakPolarHBondContact O-CB 3.38Å; I102-S106 PolarHBondContact O-N 2.71Å
103K98.5Very high98.4Very high140 Ų140104.2 Ų104.261%0.60954%0.54SS*.Hα-helixtrans-59.4-49.4176.8-175.5166.2-176.8169.30112E99 A101 C105 S106 D107E99-K103 WeakPolarHBondContact O-CB 3.32Å; E99-K103 PolarHBondContact O-N 2.76Å; A101-K103 VanDerWaalsContact C-N 3.34Å; A101-K103 PolarHBondContact O-N 2.9Å; K103-C105 VanDerWaalsContact C-N 3.34Å; K103-C105 PolarHBondContact O-N 3.31Å; K103-S106 WeakPolarHBondContact O-CB 3.29Å; K103-S106 PolarHBondContact O-N 3.48Å; K103-S106 VanDerWaalsContact O-N 3.11Å; K103-D107 VanDerWaalsContact O-CG 3.22Å; K103-D107 PolarHBondContact O-N 3.45Å
104K98.2Very high98.4Very high135 Ų135106.3 Ų106.359%0.58755%0.545SS*.Hα-helixtrans-58.1-44.6175.6-71.6171.2-177.8-179.90112.4G100 A101 S106 D107 E108G100-K104 WeakPolarHBondContact O-CG 3.43Å; G100-K104 PolarHBondContact O-N 3.37Å; A101-K104 PolarHBondContact O-N 3.5Å; K104-S106 VanDerWaalsContact C-N 3.29Å; K104-S106 PolarHBondContact O-N 3.26Å; K104-D107 PolarHBondContact O-N 2.97Å; K104-E108 WeakPolarHBondContact O-CB 3.29Å; K104-E108 VanDerWaalsContact O-CG 3.29Å; K104-E108 WeakPolarHBondContact O-CG 3.42Å; K104-E108 PolarHBondContact O-N 3.39Å
105C98Very high98.4Very high80 Ų80104.9 Ų104.954%0.54154%0.543SS..Hα-helixtrans-63.2-35.8176.8-174.90000112.1A101 I102 K103 K109A101-C105 WeakPolarHBondContact O-CB 3.38Å; A101-C105 PolarHBondContact O-N 3.11Å; I102-C105 PolarHBondContact O-N 3.29Å; K103-C105 VanDerWaalsContact C-N 3.34Å; K103-C105 PolarHBondContact O-N 3.31Å; C105-K109 VanDerWaalsContact O-CB 3.29Å; C105-K109 WeakPolarHBondContact O-CB 3.25Å; C105-K109 PolarHBondContact O-N 3.22Å
106S98.4Very high98.5Very high64 Ų64103.1 Ų103.145%0.44854%0.537SS..Hα-helixtrans-66.5-47172.5-1610000111.8I102 K103 K104 E108 K109 V110I102-S106 WeakPolarHBondContact O-CB 3.38Å; I102-S106 PolarHBondContact O-N 2.71Å; K103-S106 WeakPolarHBondContact O-CB 3.29Å; K103-S106 PolarHBondContact O-N 3.48Å; K103-S106 VanDerWaalsContact O-N 3.11Å; K104-S106 VanDerWaalsContact C-N 3.29Å; K104-S106 PolarHBondContact O-N 3.26Å; S106-E108 VanDerWaalsContact C-N 3.29Å; S106-E108 PolarHBondContact O-N 2.88Å; S106-K109 WeakPolarHBondContact O-CB 3.41Å; S106-K109 PolarHBondContact O-N 2.87Å; S106-V110 WeakPolarHBondContact O-CG2 3.29Å; S106-V110 PolarHBondContact O-N 3.14Å
107D98.5Very high98.5Very high75 Ų75100.5 Ų100.540%0.40153%0.531SS..Hα-helixtrans-61.1-37.7176.9-61-26.6000111.6K103 K104 K111K103-D107 VanDerWaalsContact O-CG 3.22Å; K103-D107 PolarHBondContact O-N 3.45Å; K104-D107 PolarHBondContact O-N 2.97Å; D107-K111 WeakPolarHBondContact O-CD 3.41Å; D107-K111 VanDerWaalsContact O-CG 3.27Å; D107-K111 WeakPolarHBondContact O-CG 3.27Å; D107-K111 PolarHBondContact O-N 2.88Å
108E98.5Very high98.5Very high120 Ų120101 Ų10156%0.56153%0.53SS*.Hα-helixtrans-70.2-41.6174.5-74.3164.3-167.600112.1K104 S106 V110 K111 L112K104-E108 WeakPolarHBondContact O-CB 3.29Å; K104-E108 VanDerWaalsContact O-CG 3.29Å; K104-E108 WeakPolarHBondContact O-CG 3.42Å; K104-E108 PolarHBondContact O-N 3.39Å; S106-E108 VanDerWaalsContact C-N 3.29Å; S106-E108 PolarHBondContact O-N 2.88Å; E108-V110 PolarHBondContact O-N 3.23Å; E108-K111 PolarHBondContact O-N 2.99Å; E108-L112 WeakPolarHBondContact O-CB 3.25Å; E108-L112 PolarHBondContact O-N 3.5Å
109K98.5Very high98.5Very high141 Ų14198.6 Ų98.661%0.61353%0.527SS*.Hα-helixtrans-59.6-44.6173.7178.1-174.6172.9-173.40111.6C105 S106 L112 Q113C105-K109 VanDerWaalsContact O-CB 3.29Å; C105-K109 WeakPolarHBondContact O-CB 3.25Å; C105-K109 PolarHBondContact O-N 3.22Å; S106-K109 WeakPolarHBondContact O-CB 3.41Å; S106-K109 PolarHBondContact O-N 2.87Å; K109-L112 PolarHBondContact O-N 2.76Å; K109-Q113 VanDerWaalsContact O-CB 3.25Å; K109-Q113 WeakPolarHBondContact O-CB 3.49Å; K109-Q113 PolarHBondContact O-N 2.93Å
110V98.6Very high98.5Very high80 Ų8098 Ų9849%0.48553%0.525SS..Hα-helixtrans-66.1-39.4179.61720000111.4S106 E108 Q113 T114S106-V110 WeakPolarHBondContact O-CG2 3.29Å; S106-V110 PolarHBondContact O-N 3.14Å; E108-V110 PolarHBondContact O-N 3.23Å; V110-Q113 PolarHBondContact O-N 3.49Å; V110-T114 PolarHBondContact O-N 3.49Å; V110-T114 PolarHBondContact O-OG1 3.42Å
111K98.6Very high98.5Very high130 Ų13098.8 Ų98.857%0.56553%0.528SS*.Hα-helixtrans-61-53.2172.6-70.8163.8-168.7167.30111.3D107 E108 Q113 T114 D115D107-K111 WeakPolarHBondContact O-CD 3.41Å; D107-K111 VanDerWaalsContact O-CG 3.27Å; D107-K111 WeakPolarHBondContact O-CG 3.27Å; D107-K111 PolarHBondContact O-N 2.88Å; E108-K111 PolarHBondContact O-N 2.99Å; K111-Q113 VanDerWaalsContact C-N 3.29Å; K111-Q113 PolarHBondContact O-N 2.99Å; K111-T114 CarbonylContact O-C 3.57Å; K111-T114 WeakPolarHBondContact O-CA 3.42Å; K111-T114 VanDerWaalsContact O-CB 3.29Å; K111-T114 WeakPolarHBondContact O-CB 3.48Å; K111-T114 PolarHBondContact O-N 2.85Å; K111-D115 PolarHBondContact O-N 2.96Å
112L98.6Very high98.5Very high112 Ų112100.1 Ų100.159%0.58653%0.526SS*.Hα-helixtrans-61.8-36.6-179.8-175.862.2000112.3E108 K109 T114 D115 V116E108-L112 WeakPolarHBondContact O-CB 3.25Å; E108-L112 PolarHBondContact O-N 3.5Å; K109-L112 PolarHBondContact O-N 2.76Å; L112-T114 VanDerWaalsContact C-N 3.35Å; L112-D115 PolarHBondContact O-N 3.39Å; L112-V116 HydrophobicContact CD1-CG2 4.49Å; L112-V116 WeakPolarHBondContact O-CB 3.47Å; L112-V116 VanDerWaalsContact O-CG2 3.25Å; L112-V116 WeakPolarHBondContact O-CG2 3.34Å; L112-V116 PolarHBondContact O-N 3.16Å
113Q98.5Very high98.5Very high116 Ų11697.7 Ų97.754%0.54252%0.517SS..Hα-helixtrans-62.4-42.2172.4-177.9174.2-4.200111.5K109 V110 K111 V116 T117K109-Q113 VanDerWaalsContact O-CB 3.25Å; K109-Q113 WeakPolarHBondContact O-CB 3.49Å; K109-Q113 PolarHBondContact O-N 2.93Å; V110-Q113 PolarHBondContact O-N 3.49Å; K111-Q113 VanDerWaalsContact C-N 3.29Å; K111-Q113 PolarHBondContact O-N 2.99Å; Q113-V116 PolarHBondContact O-N 2.97Å; Q113-T117 WeakPolarHBondContact O-CG2 3.43Å; Q113-T117 PolarHBondContact O-N 3.31Å; Q113-T117 PolarHBondContact O-OG1 2.88Å
114T98.6Very high98.5Very high79 Ų7995.5 Ų95.549%0.48551%0.509SS..Hα-helixtrans-62.3-49.1175.1-52.60000110.7V110 K111 L112 V116 T117 S118V110-T114 PolarHBondContact O-N 3.49Å; V110-T114 PolarHBondContact O-OG1 3.42Å; K111-T114 CarbonylContact O-C 3.57Å; K111-T114 WeakPolarHBondContact O-CA 3.42Å; K111-T114 VanDerWaalsContact O-CB 3.29Å; K111-T114 WeakPolarHBondContact O-CB 3.48Å; K111-T114 PolarHBondContact O-N 2.85Å; L112-T114 VanDerWaalsContact C-N 3.35Å; T114-V116 VanDerWaalsContact C-N 3.34Å; T114-V116 PolarHBondContact O-N 2.89Å; T114-T117 PolarHBondContact O-N 3.43Å; T114-T117 VanDerWaalsContact O-N 3.16Å; T114-T117 PolarHBondContact O-OG1 3.37Å; T114-S118 PolarHBondContact O-N 2.87Å
115D98.6Very high98.5Very high89 Ų8993.7 Ų93.748%0.47650%0.498SS..Hα-helixtrans-59.1-42.7177.8-65.5-31000111.9K111 L112 S118 Q119K111-D115 PolarHBondContact O-N 2.96Å; L112-D115 PolarHBondContact O-N 3.39Å; D115-S118 PolarHBondContact O-N 3.2Å; D115-Q119 WeakPolarHBondContact O-CG 3.48Å; D115-Q119 PolarHBondContact O-N 3.36Å
116V98.6Very high98.6Very high82 Ų8293.8 Ų93.850%0.49749%0.493SS..Hα-helixtrans-63.8-42.9175.4166.90000111.5L112 Q113 T114 S118 Q119 M120L112-V116 HydrophobicContact CD1-CG2 4.49Å; L112-V116 WeakPolarHBondContact O-CB 3.47Å; L112-V116 VanDerWaalsContact O-CG2 3.25Å; L112-V116 WeakPolarHBondContact O-CG2 3.34Å; L112-V116 PolarHBondContact O-N 3.16Å; Q113-V116 PolarHBondContact O-N 2.97Å; T114-V116 VanDerWaalsContact C-N 3.34Å; T114-V116 PolarHBondContact O-N 2.89Å; V116-S118 VanDerWaalsContact C-N 3.34Å; V116-S118 PolarHBondContact O-N 3.25Å; V116-Q119 PolarHBondContact O-N 2.95Å; V116-M120 WeakPolarHBondContact O-CB 3.38Å; V116-M120 PolarHBondContact O-N 2.87Å
117T98.6Very high98.6Very high83 Ų8399 Ų9951%0.50950%0.502SS..Hα-helixtrans-65.3-36.8175.355.50000112.5Q113 T114 M120 A121Q113-T117 WeakPolarHBondContact O-CG2 3.43Å; Q113-T117 PolarHBondContact O-N 3.31Å; Q113-T117 PolarHBondContact O-OG1 2.88Å; T114-T117 PolarHBondContact O-N 3.43Å; T114-T117 VanDerWaalsContact O-N 3.16Å; T114-T117 PolarHBondContact O-OG1 3.37Å; T117-M120 PolarHBondContact O-N 3.2Å; T117-A121 PolarHBondContact O-N 2.88Å
118S98.7Very high98.6Very high78 Ų78101.1 Ų101.155%0.54551%0.51SS..Hα-helixtrans-64.8-45.3174.5-171.20000111.8T114 D115 V116 M120 A121 E122T114-S118 PolarHBondContact O-N 2.87Å; D115-S118 PolarHBondContact O-N 3.2Å; V116-S118 VanDerWaalsContact C-N 3.34Å; V116-S118 PolarHBondContact O-N 3.25Å; S118-M120 VanDerWaalsContact C-N 3.33Å; S118-M120 PolarHBondContact O-N 2.87Å; S118-A121 PolarHBondContact O-N 3.29Å; S118-E122 PolarHBondContact O-N 3.41Å
119Q98.6Very high98.6Very high134 Ų134100 Ų10063%0.62651%0.505SS*.Hα-helixtrans-65-36.4175.5-72.5-178.815.700111.9D115 V116 E122 V123D115-Q119 WeakPolarHBondContact O-CG 3.48Å; D115-Q119 PolarHBondContact O-N 3.36Å; V116-Q119 PolarHBondContact O-N 2.95Å; Q119-E122 PolarHBondContact O-N 3.49Å; Q119-V123 WeakPolarHBondContact O-CB 3.46Å; Q119-V123 VanDerWaalsContact O-CG2 3.29Å; Q119-V123 WeakPolarHBondContact O-CG2 3.33Å; Q119-V123 PolarHBondContact O-N 3.2Å
120M98.5Very high98.6Very high117 Ų11797.6 Ų97.658%0.57650%0.498SS*.Hα-helixtrans-65-41.3176.8-175.9168.317600112V116 T117 S118 V123 Q124V116-M120 WeakPolarHBondContact O-CB 3.38Å; V116-M120 PolarHBondContact O-N 2.87Å; T117-M120 PolarHBondContact O-N 3.2Å; S118-M120 VanDerWaalsContact C-N 3.33Å; S118-M120 PolarHBondContact O-N 2.87Å; M120-V123 PolarHBondContact O-N 3.46Å; M120-Q124 WeakPolarHBondContact O-CG 3.48Å; M120-Q124 PolarHBondContact O-N 2.8Å
121A98.4Very high98.5Very high51 Ų5198 Ų9842%0.42150%0.501SS..Hα-helixtrans-65-42.8173.600000112.2T117 S118 V123 Q124 R125T117-A121 PolarHBondContact O-N 2.88Å; S118-A121 PolarHBondContact O-N 3.29Å; A121-V123 PolarHBondContact O-N 3.46Å; A121-Q124 WeakPolarHBondContact O-CB 3.28Å; A121-Q124 PolarHBondContact O-N 3.38Å; A121-R125 WeakPolarHBondContact O-CB 3.29Å; A121-R125 PolarHBondContact O-N 3.11Å
122E98.6Very high98.5Very high79 Ų7997.7 Ų97.737%0.36950%0.502SS..Hα-helixtrans-63.9-38.6175.7177.860-170.600112S118 Q119 Q124 R125 L126S118-E122 PolarHBondContact O-N 3.41Å; Q119-E122 PolarHBondContact O-N 3.49Å; E122-Q124 VanDerWaalsContact C-N 3.34Å; E122-Q124 PolarHBondContact O-N 2.84Å; E122-R125 VanDerWaalsContact CD-NH2 3.35Å; E122-R125 PolarHBondContact O-N 2.83Å; E122-R125 IonicContact OE1-CZ 3.17Å; E122-R125 IonicContact OE1-NE 2.71Å; E122-R125 IonicContact OE1-NH2 2.71Å; E122-R125 PolarHBondContact OE1-NH2 3.41Å; E122-R125 IonicContact OE2-CZ 2.74Å; E122-R125 IonicContact OE2-NE 2.71Å; E122-R125 PolarHBondContact OE2-NE 3.35Å; E122-R125 IonicContact OE2-NH2 3.26Å; E122-R125 PolarHBondContact OE2-NH2 3.29Å; E122-L126 HydrophobicContact CG-CD1 4.02Å; E122-L126 HydrophobicContact CG-CG 4.47Å; E122-L126 WeakPolarHBondContact O-CB 3.29Å; E122-L126 VanDerWaalsContact O-CG 3.27Å; E122-L126 WeakPolarHBondContact O-CG 3.47Å; E122-L126 PolarHBondContact O-N 3.15Å
123V98.6Very high98.5Very high67 Ų6798.3 Ų98.341%0.40651%0.505SS..Hα-helixtrans-66-33.6173.8166.80000112.2Q119 M120 A121 R127Q119-V123 WeakPolarHBondContact O-CB 3.46Å; Q119-V123 VanDerWaalsContact O-CG2 3.29Å; Q119-V123 WeakPolarHBondContact O-CG2 3.33Å; Q119-V123 PolarHBondContact O-N 3.2Å; M120-V123 PolarHBondContact O-N 3.46Å; A121-V123 PolarHBondContact O-N 3.46Å; V123-R127 WeakPolarHBondContact O-CB 3.41Å; V123-R127 WeakPolarHBondContact O-CD 3.45Å; V123-R127 WeakPolarHBondContact O-CG 3.4Å; V123-R127 PolarHBondContact O-N 2.83Å; V123-R127 VanDerWaalsContact O-N 3.12Å
124Q98.6Very high98.5Very high94 Ų9498.5 Ų98.544%0.43950%0.504SS..Hα-helixtrans-66.2-52171.6-72.6168.2-6.500110.6M120 A121 E122 L126 R127 E128M120-Q124 WeakPolarHBondContact O-CG 3.48Å; M120-Q124 PolarHBondContact O-N 2.8Å; A121-Q124 WeakPolarHBondContact O-CB 3.28Å; A121-Q124 PolarHBondContact O-N 3.38Å; E122-Q124 VanDerWaalsContact C-N 3.34Å; E122-Q124 PolarHBondContact O-N 2.84Å; Q124-L126 VanDerWaalsContact C-N 3.31Å; Q124-L126 PolarHBondContact O-N 3.5Å; Q124-R127 WeakPolarHBondContact O-CA 3.47Å; Q124-R127 WeakPolarHBondContact O-CB 3.44Å; Q124-R127 PolarHBondContact O-N 3.11Å; Q124-E128 WeakPolarHBondContact O-CG 3.38Å; Q124-E128 PolarHBondContact O-N 3.06Å
125R98.6Very high98.5Very high97 Ų97101.3 Ų101.337%0.36651%0.511SS..Hα-helixtrans-55.7-41.5177.7-163.2-16666.665.66.8112.9A121 E122 E128 Q129A121-R125 WeakPolarHBondContact O-CB 3.29Å; A121-R125 PolarHBondContact O-N 3.11Å; E122-R125 VanDerWaalsContact CD-NH2 3.35Å; E122-R125 PolarHBondContact O-N 2.83Å; E122-R125 IonicContact OE1-CZ 3.17Å; E122-R125 IonicContact OE1-NE 2.71Å; E122-R125 IonicContact OE1-NH2 2.71Å; E122-R125 PolarHBondContact OE1-NH2 3.41Å; E122-R125 IonicContact OE2-CZ 2.74Å; E122-R125 IonicContact OE2-NE 2.71Å; E122-R125 PolarHBondContact OE2-NE 3.35Å; E122-R125 IonicContact OE2-NH2 3.26Å; E122-R125 PolarHBondContact OE2-NH2 3.29Å; R125-E128 PolarHBondContact O-N 3.38Å; R125-Q129 WeakPolarHBondContact O-CG 3.42Å; R125-Q129 PolarHBondContact O-N 2.99Å; R125-Q129 VanDerWaalsContact O-N 3.09Å
126L98.6Very high98.5Very high82 Ų82100.4 Ų100.443%0.42950%0.504SS..Hα-helixtrans-70.6-32.2176.2-72.1170.9000112.9E122 Q124 L130E122-L126 HydrophobicContact CG-CD1 4.02Å; E122-L126 HydrophobicContact CG-CG 4.47Å; E122-L126 WeakPolarHBondContact O-CB 3.29Å; E122-L126 VanDerWaalsContact O-CG 3.27Å; E122-L126 WeakPolarHBondContact O-CG 3.47Å; E122-L126 PolarHBondContact O-N 3.15Å; Q124-L126 VanDerWaalsContact C-N 3.31Å; Q124-L126 PolarHBondContact O-N 3.5Å; L126-L130 WeakPolarHBondContact O-CB 3.28Å; L126-L130 PolarHBondContact O-N 3.07Å
127R98.4Very high98.4Very high172 Ų172102.8 Ų102.865%0.64951%0.508SS*.Hα-helixtrans-68.5-40.6172.6-77.2168.6177179.80.2111.6V123 Q124 L130 T131V123-R127 WeakPolarHBondContact O-CB 3.41Å; V123-R127 WeakPolarHBondContact O-CD 3.45Å; V123-R127 WeakPolarHBondContact O-CG 3.4Å; V123-R127 PolarHBondContact O-N 2.83Å; V123-R127 VanDerWaalsContact O-N 3.12Å; Q124-R127 WeakPolarHBondContact O-CA 3.47Å; Q124-R127 WeakPolarHBondContact O-CB 3.44Å; Q124-R127 PolarHBondContact O-N 3.11Å; R127-L130 WeakPolarHBondContact O-CB 3.32Å; R127-L130 PolarHBondContact O-N 2.89Å; R127-T131 PolarHBondContact O-N 3.21Å; R127-T131 PolarHBondContact O-OG1 2.83Å
128E98.4Very high98.4Very high121 Ų121104 Ų10457%0.56551%0.509SS*.Hα-helixtrans-60.3-50.9175.4-70.9162.8-174.300111Q124 R125 L130 T131 E132Q124-E128 WeakPolarHBondContact O-CG 3.38Å; Q124-E128 PolarHBondContact O-N 3.06Å; R125-E128 PolarHBondContact O-N 3.38Å; E128-L130 VanDerWaalsContact C-N 3.28Å; E128-L130 PolarHBondContact O-N 2.99Å; E128-T131 WeakPolarHBondContact CA-OG1 3.28Å; E128-T131 PolarHBondContact O-N 3.33Å; E128-T131 PolarHBondContact O-OG1 3.28Å; E128-E132 PolarHBondContact O-N 2.95Å
129Q98.5Very high98.4Very high95 Ų95104.9 Ų104.944%0.44450%0.503SS..Hα-helixtrans-59.1-37.1174.2-71.9-169.3-50.600112.9R125 T131 L133R125-Q129 WeakPolarHBondContact O-CG 3.42Å; R125-Q129 PolarHBondContact O-N 2.99Å; R125-Q129 VanDerWaalsContact O-N 3.09Å; Q129-T131 VanDerWaalsContact C-N 3.34Å; Q129-L133 VanDerWaalsContact O-CB 3.28Å; Q129-L133 WeakPolarHBondContact O-CB 3.37Å; Q129-L133 PolarHBondContact O-N 2.81Å
130L98.5Very high98.4Very high92 Ų92104 Ų10448%0.48250%0.499SS..Hα-helixtrans-67.4-32.2175-177.663.1000112.4L126 R127 E128 K134L126-L130 WeakPolarHBondContact O-CB 3.28Å; L126-L130 PolarHBondContact O-N 3.07Å; R127-L130 WeakPolarHBondContact O-CB 3.32Å; R127-L130 PolarHBondContact O-N 2.89Å; E128-L130 VanDerWaalsContact C-N 3.28Å; E128-L130 PolarHBondContact O-N 2.99Å; L130-K134 HydrophobicContact CG-CD 4.49Å; L130-K134 WeakPolarHBondContact O-CB 3.1Å; L130-K134 WeakPolarHBondContact O-CD 3.38Å; L130-K134 WeakPolarHBondContact O-CG 3.44Å; L130-K134 PolarHBondContact O-N 3.24Å
131T98.3Very high98.3Very high87 Ų87102 Ų10253%0.53449%0.488SS..Hα-helixtrans-75.2-41173.745.80000112.8R127 E128 Q129 K134 Q135R127-T131 PolarHBondContact O-N 3.21Å; R127-T131 PolarHBondContact O-OG1 2.83Å; E128-T131 WeakPolarHBondContact CA-OG1 3.28Å; E128-T131 PolarHBondContact O-N 3.33Å; E128-T131 PolarHBondContact O-OG1 3.28Å; Q129-T131 VanDerWaalsContact C-N 3.34Å; T131-K134 PolarHBondContact O-N 3.5Å; T131-Q135 PolarHBondContact O-N 3.03Å
132E98.3Very high98.3Very high125 Ų125105.1 Ų105.158%0.58449%0.494SS*.Hα-helixtrans-60.6-48.6174.9-177.6-179.4-153.700111.2E128 K134 Q135 E136E128-E132 PolarHBondContact O-N 2.95Å; E132-K134 VanDerWaalsContact C-N 3.3Å; E132-K134 PolarHBondContact O-N 2.79Å; E132-Q135 WeakPolarHBondContact O-CB 3.18Å; E132-Q135 PolarHBondContact O-N 3.06Å; E132-E136 PolarHBondContact O-N 3Å
133L98.4Very high98.3Very high124 Ų124107 Ų10765%0.64950%0.503SS*.Hα-helixtrans-63.2-35.1178.9-175.261.4000112.5Q129 F137Q129-L133 VanDerWaalsContact O-CB 3.28Å; Q129-L133 WeakPolarHBondContact O-CB 3.37Å; Q129-L133 PolarHBondContact O-N 2.81Å; L133-F137 WeakPolarHBondContact O-CB 3.47Å; L133-F137 PolarHBondContact O-N 3.47Å
134K97.9Very high98.3Very high120 Ų120109.7 Ų109.752%0.52251%0.514SS..Hα-helixtrans-66-40.2172-77.2169.3-177.2174.80111.9L130 T131 E132 F137 M138L130-K134 HydrophobicContact CG-CD 4.49Å; L130-K134 WeakPolarHBondContact O-CB 3.1Å; L130-K134 WeakPolarHBondContact O-CD 3.38Å; L130-K134 WeakPolarHBondContact O-CG 3.44Å; L130-K134 PolarHBondContact O-N 3.24Å; T131-K134 PolarHBondContact O-N 3.5Å; E132-K134 VanDerWaalsContact C-N 3.3Å; E132-K134 PolarHBondContact O-N 2.79Å; K134-F137 PolarHBondContact O-N 3.49Å; K134-M138 WeakPolarHBondContact O-CG 3.45Å; K134-M138 PolarHBondContact O-N 3.15Å
135Q98.5Very high98.2Very high138 Ų138109.8 Ų109.865%0.64551%0.511SS*.Hα-helixtrans-65.6-45.3177.9-177.5174.9-10.100111.5T131 E132 F137 M138 K139T131-Q135 PolarHBondContact O-N 3.03Å; E132-Q135 WeakPolarHBondContact O-CB 3.18Å; E132-Q135 PolarHBondContact O-N 3.06Å; Q135-F137 VanDerWaalsContact C-N 3.35Å; Q135-F137 PolarHBondContact O-N 2.95Å; Q135-M138 PolarHBondContact O-N 3.37Å; Q135-K139 WeakPolarHBondContact O-CB 3.46Å; Q135-K139 PolarHBondContact O-N 3.44Å; Q135-K139 VanDerWaalsContact O-N 3.11Å
136E98.2Very high98.2Very high71 Ų71109 Ų10933%0.33251%0.511SS..Hα-helixtrans-65.8-35.2174.7-73.2-61.2126.300112.3E132 K139 Q140E132-E136 PolarHBondContact O-N 3Å; E136-K139 PolarHBondContact O-N 3.18Å; E136-K139 VanDerWaalsContact OE1-CD 3.32Å; E136-K139 WeakPolarHBondContact OE1-CD 3.46Å; E136-K139 IonicContact OE1-NZ 3.37Å; E136-K139 PolarHBondContact OE1-NZ 3.18Å; E136-K139 WeakPolarHBondContact OE2-CD 3.49Å; E136-K139 IonicContact OE2-NZ 2.66Å; E136-K139 PolarHBondContact OE2-NZ 3Å; E136-Q140 WeakPolarHBondContact O-CB 3.4Å; E136-Q140 WeakPolarHBondContact O-CG 3.39Å; E136-Q140 PolarHBondContact O-N 2.81Å
137F98.1Very high98.2Very high131 Ų131109.7 Ų109.758%0.57552%0.519SS*.Hα-helixtrans-61.8-47.9172.5-178-90.6000112.3L133 K134 Q135 K139 Q140 E141L133-F137 WeakPolarHBondContact O-CB 3.47Å; L133-F137 PolarHBondContact O-N 3.47Å; K134-F137 PolarHBondContact O-N 3.49Å; Q135-F137 VanDerWaalsContact C-N 3.35Å; Q135-F137 PolarHBondContact O-N 2.95Å; F137-K139 VanDerWaalsContact C-N 3.26Å; F137-K139 PolarHBondContact O-N 2.95Å; F137-Q140 PolarHBondContact O-N 2.82Å; F137-E141 PolarHBondContact O-N 2.9Å
138M98Very high98.1Very high109 Ų109108.6 Ų108.654%0.53752%0.519SS..Hα-helixtrans-58.9-38.5177.4-71.8-63.5-62.200112.3K134 Q135 E141 E142K134-M138 WeakPolarHBondContact O-CG 3.45Å; K134-M138 PolarHBondContact O-N 3.15Å; Q135-M138 PolarHBondContact O-N 3.37Å; M138-E141 PolarHBondContact O-N 3.07Å; M138-E142 PolarHBondContact O-N 2.95Å
139K98.3Very high98.1Very high97 Ų97108.4 Ų108.442%0.42252%0.516SS..Hα-helixtrans-69.2-40176.5175.9-174.4168.4-153.20112.3Q135 E136 F137 E142 Q143Q135-K139 WeakPolarHBondContact O-CB 3.46Å; Q135-K139 PolarHBondContact O-N 3.44Å; Q135-K139 VanDerWaalsContact O-N 3.11Å; E136-K139 PolarHBondContact O-N 3.18Å; E136-K139 VanDerWaalsContact OE1-CD 3.32Å; E136-K139 WeakPolarHBondContact OE1-CD 3.46Å; E136-K139 IonicContact OE1-NZ 3.37Å; E136-K139 PolarHBondContact OE1-NZ 3.18Å; E136-K139 WeakPolarHBondContact OE2-CD 3.49Å; E136-K139 IonicContact OE2-NZ 2.66Å; E136-K139 PolarHBondContact OE2-NZ 3Å; F137-K139 VanDerWaalsContact C-N 3.26Å; F137-K139 PolarHBondContact O-N 2.95Å; K139-E142 PolarHBondContact O-N 3.03Å; K139-Q143 WeakPolarHBondContact O-CG 3.3Å; K139-Q143 PolarHBondContact O-N 3.14Å
140Q98.1Very high98.1Very high116 Ų116108.3 Ų108.354%0.54252%0.519SS..Hα-helixtrans-65.9-40.4171.9-74.21788.900112E136 F137 E142 Q143 L144E136-Q140 WeakPolarHBondContact O-CB 3.4Å; E136-Q140 WeakPolarHBondContact O-CG 3.39Å; E136-Q140 PolarHBondContact O-N 2.81Å; F137-Q140 PolarHBondContact O-N 2.82Å; Q140-E142 VanDerWaalsContact C-N 3.31Å; Q140-E142 PolarHBondContact O-N 2.88Å; Q140-Q143 PolarHBondContact O-N 3.03Å; Q140-L144 WeakPolarHBondContact O-CB 3.48Å; Q140-L144 PolarHBondContact O-N 2.86Å
141E98Very high98Very high73 Ų73107.3 Ų107.334%0.34152%0.519SS..Hα-helixtrans-63.2-38.3175.7-161.2-144.3102.400111.5F137 M138 L144 R145F137-E141 PolarHBondContact O-N 2.9Å; M138-E141 PolarHBondContact O-N 3.07Å; E141-L144 PolarHBondContact O-N 3.37Å; E141-R145 WeakPolarHBondContact O-CB 3.5Å; E141-R145 WeakPolarHBondContact O-CG 3.39Å; E141-R145 PolarHBondContact O-N 2.82Å; E141-R145 IonicContact OE1-CZ 3.69Å; E141-R145 IonicContact OE1-NE 3.58Å; E141-R145 PolarHBondContact OE1-NE 2.88Å; E141-R145 IonicContact OE1-NH2 2.73Å; E141-R145 PolarHBondContact OE1-NH2 3.27Å
142E98.1Very high98Very high118 Ų118105.8 Ų105.855%0.55151%0.51SS*.Hα-helixtrans-65.8-45.6172.7178.3151.5-99.100113.2M138 K139 Q140 L144 R145 E146M138-E142 PolarHBondContact O-N 2.95Å; K139-E142 PolarHBondContact O-N 3.03Å; Q140-E142 VanDerWaalsContact C-N 3.31Å; Q140-E142 PolarHBondContact O-N 2.88Å; E142-L144 VanDerWaalsContact C-N 3.29Å; E142-L144 PolarHBondContact O-N 3.21Å; E142-R145 WeakPolarHBondContact O-CB 3.28Å; E142-R145 PolarHBondContact O-N 3.27Å; E142-R145 IonicContact OE1-NH1 3.75Å; E142-R145 PolarHBondContact OE1-NH1 2.96Å; E142-E146 WeakPolarHBondContact O-CB 3.36Å; E142-E146 PolarHBondContact O-N 3.5Å
143Q98.1Very high98Very high119 Ų119101.8 Ų101.856%0.55650%0.496SS*.Hα-helixtrans-58.6-42.2173.3-72.9176.5-300111.5K139 Q140 E146 V147K139-Q143 WeakPolarHBondContact O-CG 3.3Å; K139-Q143 PolarHBondContact O-N 3.14Å; Q140-Q143 PolarHBondContact O-N 3.03Å; Q143-E146 PolarHBondContact O-N 3.27Å; Q143-V147 WeakPolarHBondContact O-CG2 3.45Å; Q143-V147 PolarHBondContact O-N 2.88Å
144L98.1Very high97.9Very high122 Ų122101.3 Ų101.364%0.63949%0.493SS*.Hα-helixtrans-65.2-42.2176.6-177.362.6000112.1Q140 E141 E142 E146 K148Q140-L144 WeakPolarHBondContact O-CB 3.48Å; Q140-L144 PolarHBondContact O-N 2.86Å; E141-L144 PolarHBondContact O-N 3.37Å; E142-L144 VanDerWaalsContact C-N 3.29Å; E142-L144 PolarHBondContact O-N 3.21Å; L144-E146 VanDerWaalsContact C-N 3.31Å; L144-E146 PolarHBondContact O-N 2.91Å; L144-K148 WeakPolarHBondContact O-CB 3.25Å; L144-K148 PolarHBondContact O-N 3.45Å
145R97.8Very high97.9Very high97 Ų97101 Ų10137%0.36649%0.493SS..Hα-helixtrans-57.5-44.1171.7-82.8-174.6-97111.7-4.6111.1E141 E142 K148 K149E141-R145 WeakPolarHBondContact O-CB 3.5Å; E141-R145 WeakPolarHBondContact O-CG 3.39Å; E141-R145 PolarHBondContact O-N 2.82Å; E141-R145 IonicContact OE1-CZ 3.69Å; E141-R145 IonicContact OE1-NE 3.58Å; E141-R145 PolarHBondContact OE1-NE 2.88Å; E141-R145 IonicContact OE1-NH2 2.73Å; E141-R145 PolarHBondContact OE1-NH2 3.27Å; E142-R145 WeakPolarHBondContact O-CB 3.28Å; E142-R145 PolarHBondContact O-N 3.27Å; E142-R145 IonicContact OE1-NH1 3.75Å; E142-R145 PolarHBondContact OE1-NH1 2.96Å; R145-K148 PolarHBondContact O-N 3.3Å; R145-K149 WeakPolarHBondContact O-CG 3.35Å; R145-K149 PolarHBondContact O-N 2.84Å
146E97.9Very high97.8Very high79 Ų79101.3 Ų101.337%0.36949%0.489SS..Hα-helixtrans-71.2-43-178.2-163.652.7-130.300112.4E142 Q143 L144 K148 K149 N150E142-E146 WeakPolarHBondContact O-CB 3.36Å; E142-E146 PolarHBondContact O-N 3.5Å; Q143-E146 PolarHBondContact O-N 3.27Å; L144-E146 VanDerWaalsContact C-N 3.31Å; L144-E146 PolarHBondContact O-N 2.91Å; E146-K148 VanDerWaalsContact C-N 3.26Å; E146-K148 PolarHBondContact O-N 3.48Å; E146-K149 PolarHBondContact O-N 3.28Å; E146-K149 WeakPolarHBondContact OE2-CD 3.39Å; E146-K149 WeakPolarHBondContact OE2-CE 3.35Å; E146-K149 IonicContact OE2-NZ 3.17Å; E146-K149 PolarHBondContact OE2-NZ 3.05Å; E146-N150 PolarHBondContact O-N 2.92Å; E146-N150 PolarHBondContact O-ND2 3.08Å; E146-N150 PolarHBondContact OE1-ND2 3.31Å
147V97.8Very high97.8Very high98 Ų98104 Ų10459%0.59450%0.5SS*.Hα-helixtrans-58.2-39.8172169.80000110.9Q143 N150 S151Q143-V147 WeakPolarHBondContact O-CG2 3.45Å; Q143-V147 PolarHBondContact O-N 2.88Å; V147-N150 PolarHBondContact O-N 3.39Å; V147-S151 WeakPolarHBondContact O-CB 3.24Å; V147-S151 PolarHBondContact O-N 2.83Å
148K97.9Very high97.8Very high149 Ų149103.4 Ų103.465%0.64850%0.502SS*.Hα-helixtrans-66.2-39.8176.6-172.1172.3-179.6175.20113.1L144 R145 E146 T152L144-K148 WeakPolarHBondContact O-CB 3.25Å; L144-K148 PolarHBondContact O-N 3.45Å; R145-K148 PolarHBondContact O-N 3.3Å; E146-K148 VanDerWaalsContact C-N 3.26Å; E146-K148 PolarHBondContact O-N 3.48Å; K148-T152 WeakPolarHBondContact O-CG2 3.28Å; K148-T152 PolarHBondContact O-N 2.87Å; K148-T152 PolarHBondContact O-OG1 3.21Å
149K97.8Very high97.7Very high117 Ų117103.1 Ų103.151%0.50950%0.499SS..Hα-helixtrans-61.5-46.8171.8-67.4174.8-151.1163.10111.4R145 E146 T152 S153R145-K149 WeakPolarHBondContact O-CG 3.35Å; R145-K149 PolarHBondContact O-N 2.84Å; E146-K149 PolarHBondContact O-N 3.28Å; E146-K149 WeakPolarHBondContact OE2-CD 3.39Å; E146-K149 WeakPolarHBondContact OE2-CE 3.35Å; E146-K149 IonicContact OE2-NZ 3.17Å; E146-K149 PolarHBondContact OE2-NZ 3.05Å; K149-T152 PolarHBondContact O-OG1 3.44Å; K149-S153 VanDerWaalsContact O-CB 3.31Å; K149-S153 WeakPolarHBondContact O-CB 3.36Å; K149-S153 PolarHBondContact O-N 2.98Å
150N97.8Very high97.7Very high93 Ų93105.3 Ų105.350%0.49751%0.506SS..Hα-helixtrans-67-42.5-177.9-75.1-65.9000111.9E146 V147 S153 L154E146-N150 PolarHBondContact O-N 2.92Å; E146-N150 PolarHBondContact O-ND2 3.08Å; E146-N150 PolarHBondContact OE1-ND2 3.31Å; V147-N150 PolarHBondContact O-N 3.39Å; N150-S153 PolarHBondContact O-N 3.04Å; N150-L154 WeakPolarHBondContact O-CB 3.49Å; N150-L154 PolarHBondContact O-N 3.2Å
151S97.7Very high97.6Very high71 Ų71106 Ų10650%0.49751%0.509SS..Hα-helixtrans-58.8-55.1173.7-173.80000111.8V147 S153 L154 E155V147-S151 WeakPolarHBondContact O-CB 3.24Å; V147-S151 PolarHBondContact O-N 2.83Å; S151-S153 PolarHBondContact O-N 3.26Å; S151-S153 VanDerWaalsContact O-N 3.13Å; S151-L154 WeakPolarHBondContact O-CB 3.49Å; S151-L154 PolarHBondContact O-N 3.27Å; S151-E155 WeakPolarHBondContact O-CB 3.49Å; S151-E155 PolarHBondContact O-N 2.86Å
152T97.6Very high97.5Very high55 Ų55105.7 Ų105.734%0.33752%0.515SS..Hα-helixtrans-67-14.6177.9560000113.9K148 K149 R156K148-T152 WeakPolarHBondContact O-CG2 3.28Å; K148-T152 PolarHBondContact O-N 2.87Å; K148-T152 PolarHBondContact O-OG1 3.21Å; K149-T152 PolarHBondContact O-OG1 3.44Å; T152-R156 PolarHBondContact O-NE 3.08Å; T152-R156 PolarHBondContact O-NH2 3.46Å
153S97.4Very high97.5Very high41 Ų41105.2 Ų105.229%0.28752%0.516SS..Hα-helixtrans-86.2-28.5168.8-172.70000113.4K149 N150 S151 K157K149-S153 VanDerWaalsContact O-CB 3.31Å; K149-S153 WeakPolarHBondContact O-CB 3.36Å; K149-S153 PolarHBondContact O-N 2.98Å; N150-S153 PolarHBondContact O-N 3.04Å; S151-S153 PolarHBondContact O-N 3.26Å; S151-S153 VanDerWaalsContact O-N 3.13Å; S153-K157 WeakPolarHBondContact O-CD 3.31Å; S153-K157 WeakPolarHBondContact O-CG 3.32Å
154L97.5Very high97.4Very high114 Ų114103.4 Ų103.460%0.59751%0.507SS*.Hα-helixtrans-76.6-43174.2-17863.1000110.5N150 S151 R156 K157 L158N150-L154 WeakPolarHBondContact O-CB 3.49Å; N150-L154 PolarHBondContact O-N 3.2Å; S151-L154 WeakPolarHBondContact O-CB 3.49Å; S151-L154 PolarHBondContact O-N 3.27Å; L154-R156 PolarHBondContact O-N 3.44Å; L154-K157 WeakPolarHBondContact O-CB 3.49Å; L154-K157 PolarHBondContact O-N 3.45Å; L154-K157 VanDerWaalsContact O-N 3.08Å; L154-L158 PolarHBondContact O-N 2.7Å
155E97.2Very high97.3Very high112 Ų112100.6 Ų100.652%0.52350%0.497SS..Hα-helixtrans-51.5-55.6173.7-173.7170.3-13800111.3S151 K157 L158 E159S151-E155 WeakPolarHBondContact O-CB 3.49Å; S151-E155 PolarHBondContact O-N 2.86Å; E155-K157 VanDerWaalsContact C-N 3.26Å; E155-K157 PolarHBondContact O-N 3.44Å; E155-L158 CarbonylContact O-C 3.6Å; E155-L158 PolarHBondContact O-N 3.1Å; E155-E159 WeakPolarHBondContact O-CG 3.27Å; E155-E159 PolarHBondContact O-N 2.88Å
156R97.5Very high97.3Very high145 Ų14597.8 Ų97.855%0.54750%0.498SS..Hα-helixtrans-61.5-26176.8-74.9178.4-67.8126.2-1.7114.9T152 L154 E159 Y160T152-R156 PolarHBondContact O-NE 3.08Å; T152-R156 PolarHBondContact O-NH2 3.46Å; L154-R156 PolarHBondContact O-N 3.44Å; R156-E159 WeakPolarHBondContact CA-OE2 3.35Å; R156-Y160 WeakPolarHBondContact O-CB 3.43Å; R156-Y160 PolarHBondContact O-N 3.01Å; R156-Y160 VanDerWaalsContact O-N 3.15Å
157K97.6Very high97.2Very high129 Ų129100.8 Ų100.856%0.56151%0.506SS*.Hα-helixtrans-73.6-43.5172.3-72.2169.1-178.3176.80110.6S153 L154 E155 Y160 E161S153-K157 WeakPolarHBondContact O-CD 3.31Å; S153-K157 WeakPolarHBondContact O-CG 3.32Å; L154-K157 WeakPolarHBondContact O-CB 3.49Å; L154-K157 PolarHBondContact O-N 3.45Å; L154-K157 VanDerWaalsContact O-N 3.08Å; E155-K157 VanDerWaalsContact C-N 3.26Å; E155-K157 PolarHBondContact O-N 3.44Å; K157-Y160 WeakPolarHBondContact O-CB 3.31Å; K157-Y160 PolarHBondContact O-N 3.3Å; K157-E161 PolarHBondContact O-N 2.86Å
158L96.9Very high97.1Very high118 Ų118100.7 Ų100.762%0.61850%0.499SS*.Hα-helixtrans-67.9-36.6177.8-168.2151.9000111.7L154 E155 S162L154-L158 PolarHBondContact O-N 2.7Å; E155-L158 CarbonylContact O-C 3.6Å; E155-L158 PolarHBondContact O-N 3.1Å; L158-S162 VanDerWaalsContact O-CB 3.23Å; L158-S162 WeakPolarHBondContact O-CB 3.33Å; L158-S162 PolarHBondContact O-N 2.79Å; L158-S162 PolarHBondContact O-OG 3.09Å
159E96.8Very high97.1Very high103 Ų10398.5 Ų98.548%0.48149%0.494SS..Hα-helixtrans-57.9-49.8166.8-71.7-177.7137.900111.2E155 R156 E161 S162 L163E155-E159 WeakPolarHBondContact O-CG 3.27Å; E155-E159 PolarHBondContact O-N 2.88Å; R156-E159 WeakPolarHBondContact CA-OE2 3.35Å; E159-E161 PolarHBondContact O-N 3.23Å; E159-S162 WeakPolarHBondContact CA-OG 3.28Å; E159-S162 PolarHBondContact O-N 3.32Å; E159-S162 PolarHBondContact O-OG 2.78Å; E159-L163 WeakPolarHBondContact O-CB 3.47Å; E159-L163 VanDerWaalsContact O-CG 3.22Å; E159-L163 WeakPolarHBondContact O-CG 3.36Å; E159-L163 PolarHBondContact O-N 3.45Å
160Y97.9Very high97Very high142 Ų14296 Ų9656%0.55749%0.494SS*.Hα-helixtrans-60.9-47.2179.1179.8-88.3000112.4R156 K157 L163 Q164R156-Y160 WeakPolarHBondContact O-CB 3.43Å; R156-Y160 PolarHBondContact O-N 3.01Å; R156-Y160 VanDerWaalsContact O-N 3.15Å; K157-Y160 WeakPolarHBondContact O-CB 3.31Å; K157-Y160 PolarHBondContact O-N 3.3Å; Y160-L163 PolarHBondContact O-N 3.13Å; Y160-Q164 WeakPolarHBondContact O-CB 3.43Å; Y160-Q164 PolarHBondContact O-N 3.32Å
161E96.8Very high96.9Very high132 Ų13297.3 Ų97.362%0.61750%0.498SS*.Hα-helixtrans-67.5-39179-73.3-176.8177.500112.4K157 E159 Q164 C165K157-E161 PolarHBondContact O-N 2.86Å; E159-E161 PolarHBondContact O-N 3.23Å; E161-Q164 WeakPolarHBondContact O-CB 3.46Å; E161-Q164 PolarHBondContact O-N 3.06Å; E161-C165 VanDerWaalsContact O-CB 3.31Å; E161-C165 WeakPolarHBondContact O-CB 3.36Å; E161-C165 PolarHBondContact O-N 3.24Å
162S95.7Very high96.8Very high66 Ų6698.1 Ų98.146%0.46250%0.496SS..Hα-helixtrans-67-37.6174.561.70000112.2L158 E159 Q164 C165 G166L158-S162 VanDerWaalsContact O-CB 3.23Å; L158-S162 WeakPolarHBondContact O-CB 3.33Å; L158-S162 PolarHBondContact O-N 2.79Å; L158-S162 PolarHBondContact O-OG 3.09Å; E159-S162 WeakPolarHBondContact CA-OG 3.28Å; E159-S162 PolarHBondContact O-N 3.32Å; E159-S162 PolarHBondContact O-OG 2.78Å; S162-Q164 VanDerWaalsContact C-N 3.34Å; S162-C165 PolarHBondContact O-N 2.84Å; S162-G166 PolarHBondContact O-N 2.89Å
163L97.1Very high96.8Very high108 Ų108101.5 Ų101.557%0.56551%0.506SS*.Hα-helixtrans-68.1-31.2171.1-71.1170.5000112.5E159 Y160 R167E159-L163 WeakPolarHBondContact O-CB 3.47Å; E159-L163 VanDerWaalsContact O-CG 3.22Å; E159-L163 WeakPolarHBondContact O-CG 3.36Å; E159-L163 PolarHBondContact O-N 3.45Å; Y160-L163 PolarHBondContact O-N 3.13Å; L163-R167 WeakPolarHBondContact O-CB 3.45Å; L163-R167 WeakPolarHBondContact O-CG 3.44Å; L163-R167 PolarHBondContact O-N 3.48Å; L163-R167 PolarHBondContact O-NE 2.81Å
164Q96.8Very high96.7Very high81 Ų81101 Ų10138%0.37951%0.507SS..Hα-helixtrans-70.1-49.4172.6-177.6179.3-44.900111Y160 E161 S162 G166 R167 Q168Y160-Q164 WeakPolarHBondContact O-CB 3.43Å; Y160-Q164 PolarHBondContact O-N 3.32Å; E161-Q164 WeakPolarHBondContact O-CB 3.46Å; E161-Q164 PolarHBondContact O-N 3.06Å; S162-Q164 VanDerWaalsContact C-N 3.34Å; Q164-G166 PolarHBondContact O-N 3.43Å; Q164-R167 WeakPolarHBondContact O-CB 3.34Å; Q164-R167 PolarHBondContact O-N 3.48Å; Q164-Q168 WeakPolarHBondContact O-CG 3.49Å; Q164-Q168 PolarHBondContact O-N 3.2Å
165C96.3Very high96.6Very high62 Ų62101.4 Ų101.442%0.41951%0.506SS..Hα-helixtrans-59.8-46.1177-176.20000111.5E161 S162 R167 Q168 I169E161-C165 VanDerWaalsContact O-CB 3.31Å; E161-C165 WeakPolarHBondContact O-CB 3.36Å; E161-C165 PolarHBondContact O-N 3.24Å; S162-C165 PolarHBondContact O-N 2.84Å; C165-R167 VanDerWaalsContact C-N 3.29Å; C165-R167 PolarHBondContact O-N 3.04Å; C165-Q168 PolarHBondContact O-N 2.84Å; C165-Q168 VanDerWaalsContact O-N 3.14Å; C165-I169 WeakPolarHBondContact O-CG1 3.22Å; C165-I169 PolarHBondContact O-N 2.76Å
166G96.9Very high96.4Very high39 Ų39104.5 Ų104.540%0.40251%0.514SS..Hα-helixtrans-59.9-36175.500000113.4S162 Q164 A170S162-G166 PolarHBondContact O-N 2.89Å; Q164-G166 PolarHBondContact O-N 3.43Å; G166-A170 WeakPolarHBondContact O-CB 3.35Å; G166-A170 PolarHBondContact O-N 2.99Å
167R96.3Very high96.3Very high141 Ų141101.3 Ų101.353%0.53251%0.506SS..Hα-helixtrans-67.8-44.3172.5-81.7174.8-76.2-160.40.3112.1L163 Q164 C165 A170 Q171L163-R167 WeakPolarHBondContact O-CB 3.45Å; L163-R167 WeakPolarHBondContact O-CG 3.44Å; L163-R167 PolarHBondContact O-N 3.48Å; L163-R167 PolarHBondContact O-NE 2.81Å; Q164-R167 WeakPolarHBondContact O-CB 3.34Å; Q164-R167 PolarHBondContact O-N 3.48Å; C165-R167 VanDerWaalsContact C-N 3.29Å; C165-R167 PolarHBondContact O-N 3.04Å; R167-A170 PolarHBondContact O-N 3.3Å; R167-Q171 WeakPolarHBondContact O-CG 3.23Å; R167-Q171 PolarHBondContact O-N 3.24Å; R167-Q171 PolarHBondContact O-OE1 3.04Å
168Q96.8Very high96.1Very high96 Ų96102 Ų10245%0.44951%0.51SS..Hα-helixtrans-61.5-43.9175.8-70.3174.5-20.400112Q164 C165 A170 Q171 L172Q164-Q168 WeakPolarHBondContact O-CG 3.49Å; Q164-Q168 PolarHBondContact O-N 3.2Å; C165-Q168 PolarHBondContact O-N 2.84Å; C165-Q168 VanDerWaalsContact O-N 3.14Å; Q168-A170 PolarHBondContact O-N 3.15Å; Q168-Q171 PolarHBondContact O-N 3.04Å; Q168-L172 WeakPolarHBondContact O-CB 3.48Å; Q168-L172 WeakPolarHBondContact O-CG 3.47Å; Q168-L172 PolarHBondContact O-N 2.82Å
169I96.8Very high95.9Very high104 Ų10499.2 Ų99.253%0.53351%0.505SS..Hα-helixtrans-62.2-41.8175.2-68.3166.7000111C165 K173C165-I169 WeakPolarHBondContact O-CG1 3.22Å; C165-I169 PolarHBondContact O-N 2.76Å; I169-K173 WeakPolarHBondContact O-CB 3.38Å; I169-K173 PolarHBondContact O-N 3.38Å
170A95.9Very high95.7Very high63 Ų63100.3 Ų100.352%0.52151%0.508SS..Hα-helixtrans-65.9-39.917700000112.7G166 R167 Q168 G174G166-A170 WeakPolarHBondContact O-CB 3.35Å; G166-A170 PolarHBondContact O-N 2.99Å; R167-A170 PolarHBondContact O-N 3.3Å; Q168-A170 PolarHBondContact O-N 3.15Å; A170-G174 PolarHBondContact O-N 3.46Å
171Q95.6Very high95.5Very high122 Ų12298 Ų9857%0.5750%0.501SS*.Hα-helixtrans-63.1-55174.8-72.8173.5-63.800111.2R167 Q168 K173 G174 E175R167-Q171 WeakPolarHBondContact O-CG 3.23Å; R167-Q171 PolarHBondContact O-N 3.24Å; R167-Q171 PolarHBondContact O-OE1 3.04Å; Q168-Q171 PolarHBondContact O-N 3.04Å; Q171-K173 VanDerWaalsContact C-N 3.29Å; Q171-K173 PolarHBondContact O-N 3.47Å; Q171-G174 WeakPolarHBondContact O-CA 3.35Å; Q171-G174 PolarHBondContact O-N 2.96Å; Q171-E175 PolarHBondContact O-N 3.14Å
172L96.1Very high95.2Very high88 Ų8894.2 Ų94.246%0.46149%0.492SS..Hα-helixtrans-56.4-42.3177-74.4165.6000111.8Q168 G174 E175 Y176Q168-L172 WeakPolarHBondContact O-CB 3.48Å; Q168-L172 WeakPolarHBondContact O-CG 3.47Å; Q168-L172 PolarHBondContact O-N 2.82Å; L172-G174 VanDerWaalsContact C-N 3.34Å; L172-G174 PolarHBondContact O-N 2.81Å; L172-E175 PolarHBondContact O-N 2.86Å; L172-Y176 WeakPolarHBondContact O-CD2 3.34Å; L172-Y176 PolarHBondContact O-N 3.26Å
173K96.3Very high94.8Very high126 Ų12696.7 Ų96.755%0.54850%0.499SS..Hα-helixtrans-63.2-39.7175.6-175.3-176.1171.9-165.80111.9I169 Q171 Y176 E177I169-K173 WeakPolarHBondContact O-CB 3.38Å; I169-K173 PolarHBondContact O-N 3.38Å; Q171-K173 VanDerWaalsContact C-N 3.29Å; Q171-K173 PolarHBondContact O-N 3.47Å; K173-Y176 PolarHBondContact O-N 3.3Å; K173-E177 WeakPolarHBondContact CE-OE1 3.3Å; K173-E177 IonicContact NZ-OE1 3.63Å; K173-E177 WeakPolarHBondContact O-CB 3.41Å; K173-E177 PolarHBondContact O-N 3.15Å
174G95.7Very high94.5Very high30 Ų3096.2 Ų96.231%0.30949%0.494SS..Hα-helixtrans-58.7-51.3173.400000111.6A170 Q171 L172 Y176 E177 E178A170-G174 PolarHBondContact O-N 3.46Å; Q171-G174 WeakPolarHBondContact O-CA 3.35Å; Q171-G174 PolarHBondContact O-N 2.96Å; L172-G174 VanDerWaalsContact C-N 3.34Å; L172-G174 PolarHBondContact O-N 2.81Å; G174-Y176 PolarHBondContact O-N 3.39Å; G174-E177 PolarHBondContact O-N 2.8Å; G174-E177 VanDerWaalsContact O-N 3.16Å; G174-E178 WeakPolarHBondContact O-CG 3.21Å; G174-E178 PolarHBondContact O-N 2.88Å
175E94.9Very high94.1Very high122 Ų12299.6 Ų99.657%0.5751%0.508SS*.Hα-helixtrans-57.6-44.6176.2-67.6169.7-171.300112.1Q171 L172 E178 A179Q171-E175 PolarHBondContact O-N 3.14Å; L172-E175 PolarHBondContact O-N 2.86Å; E175-E178 PolarHBondContact O-N 2.92Å; E175-A179 VanDerWaalsContact O-CB 3.25Å; E175-A179 WeakPolarHBondContact O-CB 3.35Å; E175-A179 PolarHBondContact O-N 3.15Å
176Y93.9Very high93.5Very high177 Ų177100.4 Ų100.469%0.69451%0.505SS*.Hα-helixtrans-63.7-40.9174.7-82.2-61.5000113L172 K173 G174 K180L172-Y176 WeakPolarHBondContact O-CD2 3.34Å; L172-Y176 PolarHBondContact O-N 3.26Å; K173-Y176 PolarHBondContact O-N 3.3Å; G174-Y176 PolarHBondContact O-N 3.39Å; Y176-K180 WeakPolarHBondContact O-CB 3.41Å; Y176-K180 PolarHBondContact O-N 3.17Å
177E94.9Very high92.8Very high79 Ų79101.4 Ų101.437%0.36950%0.504SS..Hα-helixtrans-68.5-36.5176.2-84.9-162.6-143.500112.5K173 G174 K181K173-E177 WeakPolarHBondContact CE-OE1 3.3Å; K173-E177 IonicContact NZ-OE1 3.63Å; K173-E177 WeakPolarHBondContact O-CB 3.41Å; K173-E177 PolarHBondContact O-N 3.15Å; G174-E177 PolarHBondContact O-N 2.8Å; G174-E177 VanDerWaalsContact O-N 3.16Å; E177-K181 WeakPolarHBondContact O-CB 3.22Å; E177-K181 VanDerWaalsContact O-CD 3.25Å; E177-K181 WeakPolarHBondContact O-CD 3.25Å; E177-K181 WeakPolarHBondContact O-CG 3.45Å; E177-K181 PolarHBondContact O-N 2.96Å; E177-K181 IonicContact OE2-NZ 3.3Å; E177-K181 PolarHBondContact OE2-NZ 3.36Å
178E93.7Very high92.1Very high142 Ų14298.2 Ų98.266%0.66450%0.503SS*.Hα-helixtrans-70.1-45.5175-73.5-170.8-178.100111.9G174 E175 K180 K181 A182G174-E178 WeakPolarHBondContact O-CG 3.21Å; G174-E178 PolarHBondContact O-N 2.88Å; E175-E178 PolarHBondContact O-N 2.92Å; E178-K180 VanDerWaalsContact C-N 3.3Å; E178-K180 PolarHBondContact O-N 3.12Å; E178-K181 CarbonylContact O-C 3.5Å; E178-K181 PolarHBondContact O-N 2.94Å; E178-A182 WeakPolarHBondContact O-CB 3.41Å; E178-A182 PolarHBondContact O-N 2.94Å
179A92.3Very high91.3Very high60 Ų60101.4 Ų101.450%0.49651%0.511SS..Hα-helixtrans-58.9-41.5173.400000111.5E175 A182 L183E175-A179 VanDerWaalsContact O-CB 3.25Å; E175-A179 WeakPolarHBondContact O-CB 3.35Å; E175-A179 PolarHBondContact O-N 3.15Å; A179-A182 PolarHBondContact O-N 3.39Å; A179-L183 WeakPolarHBondContact O-CB 3.32Å; A179-L183 PolarHBondContact O-N 2.9Å
180K93.6Very high90.3Very high126 Ų126101.5 Ų101.555%0.54851%0.512SS..Hα-helixtrans-61.7-48.7173-175.1-174175.1-158.20111.7Y176 E178 A182 L183 E184Y176-K180 WeakPolarHBondContact O-CB 3.41Å; Y176-K180 PolarHBondContact O-N 3.17Å; E178-K180 VanDerWaalsContact C-N 3.3Å; E178-K180 PolarHBondContact O-N 3.12Å; K180-A182 VanDerWaalsContact C-N 3.28Å; K180-A182 PolarHBondContact O-N 3.47Å; K180-L183 PolarHBondContact O-N 3.45Å; K180-E184 WeakPolarHBondContact CE-OE1 3.19Å; K180-E184 IonicContact NZ-OE1 2.74Å; K180-E184 WeakPolarHBondContact O-CB 3.31Å; K180-E184 WeakPolarHBondContact O-CG 3.03Å; K180-E184 PolarHBondContact O-N 3.03Å
181K93.4Very high89.3Confident94 Ų94106.8 Ų106.841%0.40952%0.519SS..Hα-helixtrans-64.5-31.5178.4-71.9159.2-165.2159.60112.1E177 E178 K185E177-K181 WeakPolarHBondContact O-CB 3.22Å; E177-K181 VanDerWaalsContact O-CD 3.25Å; E177-K181 WeakPolarHBondContact O-CD 3.25Å; E177-K181 WeakPolarHBondContact O-CG 3.45Å; E177-K181 PolarHBondContact O-N 2.96Å; E177-K181 IonicContact OE2-NZ 3.3Å; E177-K181 PolarHBondContact OE2-NZ 3.36Å; E178-K181 CarbonylContact O-C 3.5Å; E178-K181 PolarHBondContact O-N 2.94Å; K181-K185 WeakPolarHBondContact O-CB 3.48Å; K181-K185 WeakPolarHBondContact O-CD 3.42Å; K181-K185 WeakPolarHBondContact O-CG 3.45Å; K181-K185 PolarHBondContact O-N 2.94Å
182A89.9Confident87.8Confident53 Ų53107.8 Ų107.844%0.43853%0.527SS..Hα-helixtrans-69.5-45.4172.800000111.5E178 A179 K180 K185 E186E178-A182 WeakPolarHBondContact O-CB 3.41Å; E178-A182 PolarHBondContact O-N 2.94Å; A179-A182 PolarHBondContact O-N 3.39Å; K180-A182 VanDerWaalsContact C-N 3.28Å; K180-A182 PolarHBondContact O-N 3.47Å; A182-K185 WeakPolarHBondContact O-CB 3.42Å; A182-K185 PolarHBondContact O-N 3.22Å; A182-E186 PolarHBondContact O-N 3.2Å
183L88.7Confident86Confident117 Ų117107.4 Ų107.461%0.61353%0.532SS*.Hα-helixtrans-62.8-41.6174.9-17563.5000111.9A179 K180 K185 E186 V187A179-L183 WeakPolarHBondContact O-CB 3.32Å; A179-L183 PolarHBondContact O-N 2.9Å; K180-L183 PolarHBondContact O-N 3.45Å; L183-K185 PolarHBondContact O-N 3.1Å; L183-E186 PolarHBondContact O-N 3.43Å; L183-V187 WeakPolarHBondContact O-CB 3.32Å; L183-V187 VanDerWaalsContact O-CG2 3.29Å; L183-V187 WeakPolarHBondContact O-CG2 3.18Å; L183-V187 PolarHBondContact O-N 3.3Å
184E89.9Confident84.1Confident98 Ų98106 Ų10646%0.45853%0.533SS..Hα-helixtrans-62.4-39.5174-75.2174.8164.700112K180 S188K180-E184 WeakPolarHBondContact CE-OE1 3.19Å; K180-E184 IonicContact NZ-OE1 2.74Å; K180-E184 WeakPolarHBondContact O-CB 3.31Å; K180-E184 WeakPolarHBondContact O-CG 3.03Å; K180-E184 PolarHBondContact O-N 3.03Å; E184-S188 WeakPolarHBondContact O-CB 3.2Å; E184-S188 PolarHBondContact O-N 3.36Å; E184-S188 PolarHBondContact O-OG 3.43Å
185K87.8Confident81.9Confident152 Ų152110.8 Ų110.866%0.66156%0.556SS**Hα-helixtrans-63.9-43.6172.8-75.7166.6-175.2175.60112.2K181 A182 L183 S188 R189K181-K185 WeakPolarHBondContact O-CB 3.48Å; K181-K185 WeakPolarHBondContact O-CD 3.42Å; K181-K185 WeakPolarHBondContact O-CG 3.45Å; K181-K185 PolarHBondContact O-N 2.94Å; A182-K185 WeakPolarHBondContact O-CB 3.42Å; A182-K185 PolarHBondContact O-N 3.22Å; L183-K185 PolarHBondContact O-N 3.1Å; K185-S188 PolarHBondContact O-N 2.88Å; K185-R189 WeakPolarHBondContact O-CB 3.42Å; K185-R189 PolarHBondContact O-N 3.43Å
186E83.9Confident79.3Confident79 Ų79108.6 Ų108.637%0.36957%0.566SS.*Hα-helixtrans-67.8-41.2177.1-78.3-59.614900112.4A182 L183 S188 R189 L190A182-E186 PolarHBondContact O-N 3.2Å; L183-E186 PolarHBondContact O-N 3.43Å; E186-S188 VanDerWaalsContact C-N 3.29Å; E186-S188 PolarHBondContact O-N 2.85Å; E186-R189 PolarHBondContact O-N 3.15Å; E186-R189 IonicContact OE1-CZ 3.18Å; E186-R189 VanDerWaalsContact OE1-CZ 3.3Å; E186-R189 IonicContact OE1-NE 2.83Å; E186-R189 PolarHBondContact OE1-NE 3.47Å; E186-R189 VanDerWaalsContact OE1-NE 3.17Å; E186-R189 IonicContact OE1-NH2 3.04Å; E186-R189 PolarHBondContact OE1-NH2 2.89Å; E186-R189 IonicContact OE2-CZ 2.63Å; E186-R189 IonicContact OE2-NE 3.41Å; E186-R189 PolarHBondContact OE2-NE 3.44Å; E186-R189 IonicContact OE2-NH2 2.71Å; E186-R189 PolarHBondContact OE2-NH2 3.31Å; E186-L190 WeakPolarHBondContact O-CB 3.46Å; E186-L190 WeakPolarHBondContact O-CG 3.45Å; E186-L190 PolarHBondContact O-N 2.82Å
187V82.3Confident76.9Confident60 Ų60102 Ų10236%0.36455%0.552SS.*Hα-helixtrans-61.2-38.1171.3169.10000111.2L183 R191L183-V187 WeakPolarHBondContact O-CB 3.32Å; L183-V187 VanDerWaalsContact O-CG2 3.29Å; L183-V187 WeakPolarHBondContact O-CG2 3.18Å; L183-V187 PolarHBondContact O-N 3.3Å; V187-R191 VanDerWaalsContact O-CB 3.32Å; V187-R191 WeakPolarHBondContact O-CB 3.31Å; V187-R191 VanDerWaalsContact O-CG 3.28Å; V187-R191 WeakPolarHBondContact O-CG 3.33Å; V187-R191 PolarHBondContact O-N 3.29Å
188S82.4Confident74.1Confident75 Ų75108.1 Ų108.152%0.52458%0.581SS.*Hα-helixtrans-68.8-37.4173-76.50000113E184 K185 E186 R191 L192E184-S188 WeakPolarHBondContact O-CB 3.2Å; E184-S188 PolarHBondContact O-N 3.36Å; E184-S188 PolarHBondContact O-OG 3.43Å; K185-S188 PolarHBondContact O-N 2.88Å; E186-S188 VanDerWaalsContact C-N 3.29Å; E186-S188 PolarHBondContact O-N 2.85Å; S188-R191 PolarHBondContact O-N 2.81Å; S188-L192 WeakPolarHBondContact O-CB 3.28Å; S188-L192 PolarHBondContact O-N 2.8Å
189R78.6Confident71.1Confident163 Ų163104.8 Ų104.862%0.61559%0.585SS**Hα-helixtrans-64.5-45.6174.7-172.2170.473.4135.1-2.8111.1K185 E186 L192 S193K185-R189 WeakPolarHBondContact O-CB 3.42Å; K185-R189 PolarHBondContact O-N 3.43Å; E186-R189 PolarHBondContact O-N 3.15Å; E186-R189 IonicContact OE1-CZ 3.18Å; E186-R189 VanDerWaalsContact OE1-CZ 3.3Å; E186-R189 IonicContact OE1-NE 2.83Å; E186-R189 PolarHBondContact OE1-NE 3.47Å; E186-R189 VanDerWaalsContact OE1-NE 3.17Å; E186-R189 IonicContact OE1-NH2 3.04Å; E186-R189 PolarHBondContact OE1-NH2 2.89Å; E186-R189 IonicContact OE2-CZ 2.63Å; E186-R189 IonicContact OE2-NE 3.41Å; E186-R189 PolarHBondContact OE2-NE 3.44Å; E186-R189 IonicContact OE2-NH2 2.71Å; E186-R189 PolarHBondContact OE2-NH2 3.31Å; R189-L192 PolarHBondContact O-N 2.83Å; R189-S193 PolarHBondContact O-N 3.34Å
190L77.6Confident68.2Low105 Ų105109.3 Ų109.355%0.5560%0.601SS.*Hα-helixtrans-60.4-48.5172.7-73.2164.7000111E186 L192 S193 V194E186-L190 WeakPolarHBondContact O-CB 3.46Å; E186-L190 WeakPolarHBondContact O-CG 3.45Å; E186-L190 PolarHBondContact O-N 2.82Å; L190-L192 VanDerWaalsContact C-N 3.33Å; L190-L192 PolarHBondContact O-N 2.9Å; L190-S193 PolarHBondContact O-N 3.4Å; L190-S193 VanDerWaalsContact O-N 3.12Å; L190-S193 PolarHBondContact O-OG 2.76Å; L190-V194 WeakPolarHBondContact O-CG2 3.47Å; L190-V194 PolarHBondContact O-N 3.43Å
191R74.9Confident65.4Low175 Ų175109.6 Ų109.666%0.6661%0.613SS**Hα-helixtrans-59.9-39.6175.7-79.6177173.1-173.8-1.9112.9V187 S188 S193 V194 V195V187-R191 VanDerWaalsContact O-CB 3.32Å; V187-R191 WeakPolarHBondContact O-CB 3.31Å; V187-R191 VanDerWaalsContact O-CG 3.28Å; V187-R191 WeakPolarHBondContact O-CG 3.33Å; V187-R191 PolarHBondContact O-N 3.29Å; S188-R191 PolarHBondContact O-N 2.81Å; R191-S193 VanDerWaalsContact C-N 3.31Å; R191-S193 PolarHBondContact O-N 2.87Å; R191-V194 PolarHBondContact O-N 2.8Å; R191-V195 WeakPolarHBondContact O-CG2 3.33Å; R191-V195 PolarHBondContact O-N 2.84Å
192L64Low62.5Low142 Ų142108.8 Ų108.874%0.74363%0.631SS**Hα-helixtrans-65.1-36.5176.2-164.968.8000111.6S188 R189 L190S188-L192 WeakPolarHBondContact O-CB 3.28Å; S188-L192 PolarHBondContact O-N 2.8Å; R189-L192 PolarHBondContact O-N 2.83Å; L190-L192 VanDerWaalsContact C-N 3.33Å; L190-L192 PolarHBondContact O-N 2.9Å
193S56.9Low59.8Low81 Ų81111.5 Ų111.557%0.56665%0.653SS**Hα-helixtrans-70.7-32172.270.90000113.6R189 L190 R191 G196R189-S193 PolarHBondContact O-N 3.34Å; L190-S193 PolarHBondContact O-N 3.4Å; L190-S193 VanDerWaalsContact O-N 3.12Å; L190-S193 PolarHBondContact O-OG 2.76Å; R191-S193 VanDerWaalsContact C-N 3.31Å; R191-S193 PolarHBondContact O-N 2.87Å; S193-G196 PolarHBondContact O-N 3.4Å
194V56.2Low57.1Low96 Ų96109.8 Ų109.858%0.58266%0.664SS**Hα-helixtrans-76.2-33.3177.5168.50000112.4L190 R191 G196 G197L190-V194 WeakPolarHBondContact O-CG2 3.47Å; L190-V194 PolarHBondContact O-N 3.43Å; R191-V194 PolarHBondContact O-N 2.8Å; V194-G196 PolarHBondContact O-N 2.87Å; V194-G197 CarbonylContact O-C 3.59Å; V194-G197 WeakPolarHBondContact O-CA 3.42Å; V194-G197 PolarHBondContact O-N 3.28Å
195V50.6Low54.5Low130 Ų130113.9 Ų113.979%0.78868%0.68SS**Hα-helixtrans-66.9-18.8174.8170.50000112.2R191 G197R191-V195 WeakPolarHBondContact O-CG2 3.33Å; R191-V195 PolarHBondContact O-N 2.84Å; V195-G197 VanDerWaalsContact C-N 3.31Å
196G40.2Very low51.9Low76 Ų76115 Ų11578%0.78469%0.687SS**THydrogen-bonded Turntrans-80-3.9166.700000115S193 V194S193-G196 PolarHBondContact O-N 3.4Å; V194-G196 PolarHBondContact O-N 2.87Å
197G42.6Very low49.6Very low39 Ų39115.4 Ų115.440%0.40271%0.705SS.*SBendtrans-13595.6-166.900000114.5V194 V195V194-G197 CarbonylContact O-C 3.59Å; V194-G197 WeakPolarHBondContact O-CA 3.42Å; V194-G197 PolarHBondContact O-N 3.28Å; V195-G197 VanDerWaalsContact C-N 3.31Å
198Q36.4Very low47.1Very low208 Ų208116 Ų11697%0.97272%0.723SS**  trans66.7132.2168.3-59.5-179.6-49.800117.4
199G31.5Very low44.7Very low72 Ų72121.6 Ų121.674%0.74274%0.741SS**  trans-114.7165.4158.800000111
200N30.9Very low42.5Very low155 Ų155118.5 Ų118.583%0.82975%0.75SS**  trans71.4114159.4-161.229.1000118.3
201V35.4Very low40.2Very low132 Ų132117.7 Ų117.780%0.877%0.766SS**  173.2145105.7156.60000109
202G31.2Very low38Very low76 Ų76112.5 Ų112.578%0.78477%0.768SS**  trans135.188.5159.100000115.4
203A35Very low36.5Very low110 Ų110113 Ų11391%0.90978%0.777SS**  trans-107.4144.317100000111.2
204G31.6Very low35.2Very low81 Ų81116 Ų11684%0.83579%0.786SS**  trans-157144.1174.600000109.9
205K35.3Very low34Very low184 Ų184114.5 Ų114.580%0.878%0.784SS**  trans-129.3170.6-165.6-121.2-169.9-178.7-175.20112
206H32.5Very low32.9Very low175 Ų175115.2 Ų115.281%0.8179%0.788SS**  trans90.2151166.7-58.2-84.8000117.8
207A35.8Very low32.5Very low89 Ų89114.6 Ų114.674%0.73678%0.783SS**  cis171137.2-46.100000109.5
208G30.5Very low32Very low72 Ų72119.8 Ų119.874%0.74280%0.796SS**  trans76166.417300000115.1
209E30.9Very low31.8Very low193 Ų193119 Ų11990%0.90279%0.785SS**  cis-157167.6-19.6-159.7163.113800110.1
210A32Very low31.9Very low98 Ų98124.2 Ų124.281%0.8179%0.789SS**  trans-4.7138.5172.800000121.7
211G30.2Very low31.9Very low87 Ų87121 Ų12190%0.89778%0.775SS**  trans-176.2124.5160.300000110.8
212G29.1Very low31.8Very low67 Ų67121.5 Ų121.569%0.69178%0.778SS**  trans-142.3-165.9176.300000110.6
213V32.2Very low31.9Very low153 Ų153121.7 Ų121.793%0.92777%0.773SS**  trans71.4142.2-179.2-176.20000112.3
214D28.9Very low31.9Very low142 Ų142121.6 Ų121.676%0.75976%0.76SS**  cis-169.1173.5-26.2-179.630.6000107.3
215A30.4Very low32.1Very low65 Ų65124.4 Ų124.454%0.53775%0.752SS.*  trans70.6152.6149.700000121.1
216T29Very low32.1Very low145 Ų145122.1 Ų122.189%0.8974%0.744SS**  trans61.3132160.546.10000119.2
217G30.6Very low32.2Very low64 Ų64121.9 Ų121.966%0.6674%0.743SS**  cis170.1173-5.300000113.9
218E32.2Very low32.1Very low148 Ų148122.8 Ų122.869%0.69274%0.735SS**  trans50.7105.7151.5-56.6-156.794.500119
219R32Very low32.4Very low192 Ų192129.3 Ų129.373%0.72574%0.737SS**  77.9121.694.8-75173.6178166.3-7.5114.8T221R219-T221 HydrophobicContact CB-CG2 3.81Å; R219-T221 HydrophobicContact CG-CG2 3.85Å
220H35.2Very low32.4Very low181 Ų181127.5 Ų127.584%0.83873%0.729SS**  -157.1121112.6-94.8-168.9000106.8
221T29.4Very low32.7Very low87 Ų87126.3 Ų126.353%0.53471%0.714SS.*  cis95.8125.824.468.30000115.8R219R219-T221 HydrophobicContact CB-CG2 3.81Å; R219-T221 HydrophobicContact CG-CG2 3.85Å
222V33.5Very low33.1Very low142 Ų142130 Ų13086%0.86171%0.708SS**  trans71.9144.8151.5170.20000115.1
223A34.8Very low33.6Very low81 Ų81133.7 Ų133.767%0.66971%0.711SS**  cis-139.2-172.81400000110.1
224T33.6Very low33.8Very low107 Ų107134.2 Ų134.266%0.65670%0.701SS**  cis-168.4177.7-37.135.70000104.8
225H36.9Very low34.3Very low140 Ų140134.9 Ų134.965%0.64870%0.699SS**  cis-135.7149.910.1-91.2-79.2000107.9
226Q35.1Very low34.7Very low136 Ų136139.4 Ų139.464%0.63671%0.709SS**  51129.885.5-60.4-179.2-3400115.2
227H33.4Very low35.2Very low171 Ų171140.8 Ų140.879%0.79271%0.707SS**  cis-115.215635.2-74.4-38.7000114.5
228D34.5Very low35.5Very low107 Ų107141.3 Ų141.357%0.57271%0.713SS**  cis69.8132.745.7-81.5-57.1000113.4
229R36Very low36.4Very low209 Ų209144.1 Ų144.179%0.78972%0.723SS**  cis-161.9167.41.1-154-179.5-157.4-158.74.7112.2
230H30.6Very low37.2Very low156 Ų156141.3 Ų141.372%0.72273%0.73SS**  trans102.8100173-75.4-70.2000114.3
231S40.2Very low37.2Very low73 Ų73136.1 Ų136.151%0.5173%0.725SS.*  93.5102.280.5-79.20000108.5
232E37.9Very low37.5Very low165 Ų165137.6 Ų137.677%0.77174%0.739SS**  77.8128.594.6-73.3162.2123.800111.1
233I40Very low37.9Very low144 Ų144138.2 Ų138.274%0.73874%0.737SS**  cis-147.7134.622.6-124.6150.6000111.3
234K35.7Very low38.1Very low164 Ų164138.7 Ų138.771%0.71374%0.741SS**  trans64.5116.1133.1-138.5157.6-174.7173.70118.5
235E40.3Very low38.3Very low156 Ų156137 Ų13773%0.72975%0.745SS**  50.7141.182.7-59.4165.8157.900113.9
236E38.3Very low38.6Very low160 Ų160139 Ų13975%0.74876%0.758SS**  cis-147.1-177.616.8-142.4-174.8130.300113.3
237M39.7Very low39.2Very low173 Ų173138.1 Ų138.185%0.85276%0.763SS**  trans-73141-172.9-63.1164.3-79.900113.8
238G36Very low39.4Very low76 Ų76133.6 Ų133.678%0.78476%0.763SS**  trans-140.8145.5166.300000110.7
239K50.4Low39.8Very low206 Ų206136.2 Ų136.290%0.89678%0.775SS**  trans-100.1157.6-174.9-97.2-179.9177.7175.70112.8
240P50.6Low40.2Very low133 Ų133134.7 Ų134.786%0.86478%0.777SS**  trans-77.3144.5-16230.9-36.7000113.5
241G35Very low40.6Very low72 Ų72133.2 Ų133.274%0.74277%0.774SS**  trans-171.8122.6172.700000113.1
242S36Very low40.8Very low119 Ų119134.9 Ų134.983%0.83279%0.786SS**  trans29.1126.7147.3-133.60000121.9
243D41.6Very low41.2Very low154 Ų154135.1 Ų135.182%0.82479%0.787SS**  trans77.3161.3131.6-161.328.8000120.1
244A39Very low41.2Very low91 Ų91133.6 Ų133.675%0.75278%0.784SS**  trans66.3130.7169.700000119
245G36.2Very low41.1Very low72 Ų72128.8 Ų128.874%0.74278%0.781SS**  trans109.857.8146.800000118.4P247G245-P247 VanDerWaalsContact C-CD 3.44Å; G245-P247 VanDerWaalsContact O-CD 3.28Å; G245-P247 WeakPolarHBondContact O-CD 3.26Å
246M44.5Very low40.9Very low183 Ų183130.8 Ų130.890%0.90179%0.787SS**  trans-88.2105.6149.3-175.7-17277.200109.4
247P48Very low41Very low117 Ų117131.8 Ų131.876%0.7679%0.794SS**  trans-134.1140.1144.636.8-25.4000111.8G245G245-P247 VanDerWaalsContact C-CD 3.44Å; G245-P247 VanDerWaalsContact O-CD 3.28Å; G245-P247 WeakPolarHBondContact O-CD 3.26Å
248G36.3Very low40.8Very low75 Ų75131 Ų13177%0.77379%0.794SS**  trans169.735.8-177.800000113.2
249I44.3Very low40.6Very low162 Ų162135.5 Ų135.583%0.83179%0.794SS**  trans-111.9101.6176.442.7159.2000109.8
250E44.2Very low39.7Very low178 Ų178131.1 Ų131.183%0.83278%0.784SS**  trans-138.7134.7159.8-71.7-177162.200104.6
251D38.8Very low38.9Very low124 Ų124132.2 Ų132.266%0.66378%0.778SS**  cis-157.6177.57.9-116.5-10000112.9
252S45.1Very low38.7Very low109 Ų109137.3 Ų137.376%0.76278%0.78SS**  trans70.987.3176.3-54.10000114.4
253E44.9Very low38.4Very low169 Ų169135.6 Ų135.679%0.7977%0.773SS**  58.3147.651.6-51.4-163.7178.400114.2
254V39.3Very low38Very low113 Ų113135.2 Ų135.269%0.68577%0.77SS**  cis-155.9144.5-16127.90000103.1
255G33.9Very low37.7Very low62 Ų62139.3 Ų139.364%0.63977%0.771SS**  cis105.8167.736.500000109.6
256K37.8Very low37.7Very low198 Ų198145.3 Ų145.386%0.86178%0.776SS**  trans81.2127.9-177.9-53.5-178.2-178177.60116
257M39.8Very low37.9Very low182 Ų182142.5 Ų142.590%0.89777%0.772SS**  trans-117.9151.4176.1-49162.1-171.400106.1
258D35.6Very low37.1Very low157 Ų157141 Ų14184%0.8477%0.769SS**  trans-136126.8157.7-74.3-64.5000105.5
259E30.8Very low37.1Very low170 Ų170144.4 Ų144.479%0.79477%0.768SS**  cis95.6137.743.4-172.194.6-121.700111.6
260V33.1Very low36.6Very low114 Ų114142.2 Ų142.269%0.69176%0.763SS**  trans70.484.8174.8-154.30000121
261Q33.3Very low36.1Very low155 Ų155142.4 Ų142.472%0.72476%0.764SS**  38.4152.1115.3-53178.8-0.600125.3
262F29.9Very low35.7Very low180 Ų180146.3 Ų146.379%0.78978%0.775SS**  trans90.698.5145.3-84.3-63.3000124.1
263A30.9Very low35Very low82 Ų82149.6 Ų149.668%0.67878%0.778SS**  trans61.8152.1133.600000120.6
264L32.5Very low34.1Very low146 Ų146148 Ų14876%0.76478%0.775SS**  cis-149.6154.339.5-92.388.1000115.1
265K32Very low33.6Very low178 Ų178151 Ų15177%0.77478%0.781SS**  trans24111.5146-63.3173.8-175.9170.80119.3
266K37.6Very low33.7Very low197 Ų197152.2 Ų152.286%0.85779%0.786SS**  76.9152.487.5-78.7-170.9177.4-168.70116
267P47.1Very low33.8Very low125 Ų125149 Ų14981%0.81279%0.785SS**  cis-104.1-142.2-15.940.5-27.5000109.5
268A31.6Very low33.3Very low84 Ų84147.3 Ų147.369%0.69478%0.779SS**  cis-156165.1-6.600000106.3
269I37.3Very low33.2Very low147 Ų147146 Ų14675%0.75478%0.777SS**  cis131.4102.2-0.4-78.6175.5000110.9
270T33.7Very low33.1Very low117 Ų117141.4 Ų141.472%0.71878%0.775SS**  trans46.8134.7150.462.20000120.9
271Q33.1Very low33.1Very low182 Ų182141 Ų14185%0.8578%0.784SS**  cis66.4101.635-164.2-166.91200116.1
272K31.2Very low32.9Very low206 Ų206138.2 Ų138.290%0.89679%0.787SS**  trans-154.7155.5153.2-89.3-140.4171.8-167.40112.6
273Q28.6Very low32.9Very low177 Ų177135 Ų13583%0.82779%0.794SS**  trans-103175165.6-66.4170.6-37.900109.8
274N26.9Very low32.8Very low135 Ų135134.4 Ų134.472%0.72280%0.796SS**  trans27.5150.8146.4-63.627.5000121
275E28.4Very low32.7Very low176 Ų176132.6 Ų132.682%0.82280%0.802SS**  cis-148.9-163.718.1-148.5146.7102.700112.5
276A35.8Very low32.5Very low89 Ų89127.5 Ų127.574%0.73680%0.8SS**  trans-85.5168.5-170.500000115.6
277P40.1Very low32.9Very low129 Ų129124.8 Ų124.884%0.83880%0.802SS**  trans-120.2163.8156.338.9-28.6000113.6
278D29.8Very low31.9Very low147 Ų147121.7 Ų121.779%0.78679%0.793SS**  trans-114.3-176.6175.7-176.528.2000111.1
279V33Very low31.9Very low130 Ų130125.6 Ų125.679%0.78880%0.802SS**  trans68.2117.6167-65.40000120.2
280G29.5Very low31.3Very low74 Ų74126.9 Ų126.976%0.76381%0.805SS**  131.574.2108.400000121
281A31.9Very low31.2Very low106 Ų106125.5 Ų125.588%0.87681%0.805SS**  trans70.6141.4139.200000123.9
282A29.6Very low31.2Very low96 Ų96120.8 Ų120.879%0.79380%0.797SS**  trans93.4113.1144.300000121.8
283A30.3Very low31.3Very low111 Ų111118.7 Ų118.792%0.91780%0.796SS**  trans61.7145.1161.500000118.7
284G27.9Very low31.4Very low70 Ų70113.5 Ų113.572%0.72279%0.79SS**  cis169.6161.2-6.800000112.5
285A30.4Very low32.2Very low109 Ų109113.4 Ų113.490%0.90180%0.796SS**  trans70.4143.4177.900000118.6
286G29.1Very low32.3Very low70 Ų70108.9 Ų108.972%0.72280%0.797SS**  trans-100.5-155.3153.500000109.9
287P44.8Very low32.1Very low140 Ų140108.4 Ų108.491%0.90980%0.801SS**  cis-133.7-168.59.143.2-25.6000114.4
288G27.3Very low31.7Very low61 Ų61112 Ų11263%0.62981%0.807SS**  trans145.4138.1173.200000110.2
289L31Very low31.7Very low165 Ų165108.5 Ų108.586%0.86481%0.805SS**  cis60.3130.339.2-55.5171.9000111.7
290E25.5Very low31.6Very low175 Ų175111.4 Ų111.482%0.81881%0.813SS**  cis-151.3-170.118.8-145.6169.312000112.5
291A31.6Very low31.8Very low88 Ų88115.6 Ų115.673%0.72782%0.817SS**  trans-16.1157.3174.300000120.6
292A33Very low31.8Very low83 Ų83119 Ų11969%0.68682%0.819SS**  cis-165.4170.538.100000115.2
293D33Very low32Very low161 Ų161121.6 Ų121.686%0.86182%0.82SS**  trans44129149.8-59.3-21000123.1
294G29.6Very low32.3Very low69 Ų69123.4 Ų123.471%0.71181%0.809SS**  trans-93.5-148.2152.800000111.2
295P45.7Very low33Very low132 Ų132125.9 Ų125.986%0.85781%0.813SS**  cis-135.5-179.11.843.3-27.6000114.9
296G30Very low32.8Very low81 Ų81129.8 Ų129.884%0.83580%0.804SS**  trans88.5115.3142.200000118
297G30.9Very low32.9Very low80 Ų80134.9 Ų134.983%0.82581%0.814SS**  trans-139.988.4172.700000112.6
298Q31.4Very low32.2Very low203 Ų203134.6 Ų134.695%0.94980%0.801SS**  trans-82.2145.2153.2-65.5158.6-30.800106.6
299G30.7Very low32.5Very low74 Ų74138.9 Ų138.976%0.76380%0.804SS**  cis111.180.812.800000110.9
300M31.3Very low32.4Very low192 Ų192136.5 Ų136.595%0.94679%0.792SS**  trans-159.4161162.8-124.7-178.3-177.300114.6
301L32.4Very low32.7Very low162 Ų162137.6 Ų137.685%0.84879%0.789SS**  trans-71.5166.8-179.8-81.691.9000113.8
302L32.8Very low32.6Very low176 Ų176140.4 Ų140.492%0.92179%0.791SS**  trans-130154153.4-105.9163.6000110
303D32.4Very low32.6Very low152 Ų152145 Ų14581%0.81380%0.798SS**  trans-117.5168.1-155.6-164.715.2000114.1
304Q36.8Very low32.3Very low148 Ų148141.2 Ų141.269%0.69280%0.798SS**  trans-83.6155176.8-176.2-178.8114.500112.1
305P44.3Very low32.2Very low122 Ų122149.6 Ų149.679%0.79281%0.808SS**  trans-119.2143.6156.836.2-27000113.1
306R25.8Very low31.3Very low191 Ų191147.8 Ų147.872%0.72180%0.804SS**  trans-151.1132.2174.6179.6-175.7-177.9168.72.4110.3
307L30.3Very low31.1Very low178 Ų178148 Ų14893%0.93281%0.806SS**  trans-145163.6164.2-80.7-175.9000111.6
308Q30.6Very low30.8Very low134 Ų134147.6 Ų147.663%0.62680%0.802SS**  trans-123.2141.1-172-93.2176.4-82.300109.5
309Q33.8Very low30.7Very low150 Ų150146.7 Ų146.770%0.70180%0.802SS**  77.6141.4100.9-158.3171.4-14.700112.8
310D28.4Very low30.6Very low115 Ų115147.3 Ų147.362%0.61580%0.8SS**  cis-157.4146.441.7-154.628.6000115.3
311R31.1Very low31.5Very low198 Ų198143.8 Ų143.875%0.74779%0.792SS**  trans34.9129.5134.5-170.6-178.9-168.5165.34124.1
312L30.2Very low32.5Very low147 Ų147140.6 Ų140.677%0.7778%0.781SS**  -170.7-177.9118.2-102.5174.1000113.4
313E33Very low32.3Very low180 Ų180138 Ų13884%0.84177%0.772SS**  trans-94.9161.3-155.1-59.7167.7143.200116.9
314G27.1Very low32.3Very low82 Ų82137 Ų13785%0.84577%0.765SS**  trans-171.6157.517300000113.7
315R26.3Very low31.9Very low245 Ų245137.2 Ų137.293%0.92577%0.769SS**  trans-140.6138.1-166170.5174.9172.1179.4-1.5115.4
316A26.7Very low31.3Very low93 Ų93139.4 Ų139.477%0.76977%0.767SS**  trans71.6124.915600000122
317G26.4Very low31.3Very low85 Ų85139.2 Ų139.288%0.87677%0.774SS**  105.3128.9119.400000119
318G24.8Very low31Very low72 Ų72134.1 Ų134.174%0.74276%0.764SS**  trans136.696.7150.200000119
319L29.3Very low30.8Very low184 Ų184133.8 Ų133.896%0.96377%0.767SS**  trans64.6166.9142.6-61.5164.5000119.8
320A27.9Very low30.7Very low87 Ų87135.3 Ų135.372%0.71977%0.771SS**  trans-156.7-156.6-172.900000108.8
321P51.7Low31.3Very low118 Ų118134.8 Ų134.877%0.76677%0.774SS**  -105.9-142.1-74.639-23.3000108.7
322P52.8Low31Very low96 Ų96132.7 Ų132.762%0.62378%0.776SS**  cis-125.1-163.7-16.840.5-19.8000112.6I324P322-I324 HydrophobicContact CB-CD1 4.34Å; P322-I324 HydrophobicContact CB-CG1 4.2Å; P322-I324 HydrophobicContact CG-CD1 4.34Å
323V28Very low30.9Very low121 Ų121131.6 Ų131.673%0.73378%0.775SS**  -157.9113.573.5163.80000108.3
324I32.1Very low30.5Very low131 Ų131131.7 Ų131.767%0.67277%0.773SS**  51.3123.493.8-38.4162000112.5P322P322-I324 HydrophobicContact CB-CD1 4.34Å; P322-I324 HydrophobicContact CB-CG1 4.2Å; P322-I324 HydrophobicContact CG-CD1 4.34Å
325I30.2Very low30.6Very low152 Ų152137.2 Ų137.278%0.77978%0.777SS**  -170.9144.183.8-79.3171.9000112.8
326K29.8Very low30.9Very low169 Ų169133.7 Ų133.774%0.73577%0.771SS**  trans-3.5150.5156-62.9-177.4-179.6-178.10122.7
327Q25.7Very low31.1Very low187 Ų187136 Ų13687%0.87477%0.77SS**  68.614060.2-115.5175.98.200113
328G25.9Very low31.3Very low71 Ų71137.2 Ų137.273%0.73276%0.757SS**  cis-170.5-148.4800000114.6
329D25.8Very low31.7Very low127 Ų127142.8 Ų142.868%0.67976%0.76SS**  trans-76.5139.9-162.7-74.2-105.1000121.1
330K31.3Very low31.9Very low182 Ų182138.8 Ų138.879%0.79175%0.754SS**  trans58.8-170.4135.5-57.6170.7-179130.50117
331P40.1Very low32.1Very low103 Ų103138 Ų13867%0.66975%0.754SS**  cis-133.1-179.7-14.442.8-26.7000116.2
332I26.6Very low31.1Very low155 Ų155140.2 Ų140.280%0.79576%0.758SS**  trans67.4135.4148.3-76.7159000116.7
333V27.1Very low30.5Very low123 Ų123145.6 Ų145.675%0.74577%0.771SS**  -149.8160.860.2177.60000112.7
334F24.8Very low30.7Very low183 Ų183144.1 Ų144.180%0.80377%0.772SS**  trans-43.7157.7167.3-64.7-112.5000118
335E30Very low31.1Very low197 Ų197145.6 Ų145.692%0.92178%0.781SS**  -148.9153.2120.1-144.3164.1-149.900110.2
336E32Very low31.6Very low172 Ų172146.2 Ų146.280%0.80478%0.781SS**  trans-101149.2-178.8-63.1172.593.900110.8
337D31Very low31.9Very low141 Ų141145.9 Ų145.975%0.75479%0.786SS**  -172.9153.2116.3-134.2-13.3000118.5
338N29.4Very low32.2Very low110 Ų110140.8 Ų140.859%0.58878%0.784SS**  trans52.496.9146.2-86.3-56.5000124.7
339K33.6Very low32.8Very low189 Ų189145.9 Ų145.982%0.82279%0.789SS**  69.4119.1100.5-177-174.7-176179.40122.6
340A33.5Very low33.1Very low101 Ų101148 Ų14884%0.83580%0.795SS**  170.2146.4117.100000115.6
341G31.9Very low33Very low69 Ų69147.6 Ų147.671%0.71180%0.796SS**  trans77112.316500000115.7
342I32Very low32.5Very low166 Ų166152.8 Ų152.885%0.85180%0.802SS**  cis70.293.831.5-44176.7000114.8
343K39Very low32.8Very low208 Ų208152.6 Ų152.690%0.90480%0.797SS**  -170.6159.3118.1-103.1-172.7179.2-163.30111.7
344A33.6Very low32.8Very low91 Ų91154.5 Ų154.575%0.75280%0.803SS**  trans-153.3153.617600000110.5
345D39.5Very low33.3Very low162 Ų162152 Ų15287%0.86681%0.805SS**  trans-157.4132.5160.8-79.3-48.2000103.2
346E40.3Very low33.2Very low164 Ų164146.9 Ų146.977%0.76680%0.797SS**  cis92.490.820.5-160160.2-160.600116.3
347L36.5Very low33.1Very low162 Ų162147 Ų14785%0.84880%0.804SS**  trans49.7140.6143.5-64.5171.3000122.2
348G31.9Very low33Very low80 Ų80143.8 Ų143.883%0.82580%0.804SS**  trans-157.4113.2163.200000112.3
349E38.9Very low33.3Very low178 Ų178148.2 Ų148.283%0.83282%0.817SS**  trans-99.6151.7169.7-60.9-175.7123.100110.9
350Q31.4Very low33.2Very low172 Ų172148.4 Ų148.480%0.80482%0.821SS**  162.7108.8120.8-87.7173.831.500114.7
351Q29.3Very low33.2Very low174 Ų174151.5 Ų151.581%0.81382%0.822SS**  29.1117.9119.6-172.9-178.444.700120.3
352R30.4Very low33.3Very low212 Ų212157.6 Ų157.680%0.883%0.83SS**  trans-172.3119.9133.7-103.2-168.5-177.6-165.7-2110.6
353Q31.6Very low33Very low150 Ų150158.2 Ų158.270%0.70183%0.831SS**  89.4117.485.8-83.7-177.1-17.200115.4
354N28.5Very low32.8Very low163 Ų163155.9 Ų155.987%0.87283%0.827SS**  trans-79.8159.3166.8-64.8-14.9000111.7
355P34.9Very low32.7Very low130 Ų130156.9 Ų156.984%0.84483%0.825SS**  trans-125166.5131.737.1-29.7000111.9
356A28.6Very low32.3Very low91 Ų91157 Ų15775%0.75283%0.825SS**  trans-115150178.400000111.5
357D28.8Very low32.1Very low175 Ų175154.8 Ų154.894%0.93683%0.825SS**  trans172164.1131.1-103.4-36.8000111.9
358G28.5Very low32Very low73 Ų73155.7 Ų155.775%0.75383%0.825SS**  trans125.680.7162.700000116.7
359K35.9Very low31.9Very low202 Ų202158.3 Ų158.388%0.87882%0.819SS**  trans-74.7136.8171.2-60.7168.3-177171.40111.1
360H32.8Very low31.6Very low193 Ų193156.6 Ų156.689%0.89482%0.816SS**  trans-153121.5147.1-122-75.4000113.4
361L33Very low31.7Very low166 Ų166151.9 Ų151.987%0.86981%0.806SS**  trans-80140.6175.7-74.2148000111.1
362K33.3Very low31.8Very low198 Ų198152.4 Ų152.486%0.86181%0.809SS**  trans-153.980.8163.4-135.9172-172.4178.60115.1
363M26.9Very low31.9Very low178 Ų178148.7 Ų148.788%0.87781%0.81SS**  trans31.6106.7136.9-172.3179.4-71.700118.2
364I33.6Very low32.4Very low159 Ų159146.2 Ų146.282%0.81581%0.807SS**  trans-107.7130165.3-61.9169.5000108.6
365P32.2Very low32.4Very low112 Ų112147.6 Ų147.673%0.72781%0.805SS**PPolyproline II helixtrans-81139.3172.1-12.929.9000113.2
366L31.4Very low32.8Very low166 Ų166146.5 Ų146.587%0.86980%0.798SS**PPolyproline II helixtrans-82.2141.1171.3-74.1158.9000112.1
367P36.4Very low32.9Very low116 Ų116149.9 Ų149.975%0.75380%0.801SS**PPolyproline II helixtrans-83.7164.9152.934.4-30.4000111.5
368H34.5Very low33Very low182 Ų182149.5 Ų149.584%0.84379%0.794SS**PPolyproline II helixtrans-78145.3-171.5-77.88.3000115.3
369D29Very low33.2Very low134 Ų134153.5 Ų153.572%0.71780%0.797SS**PPolyproline II helixtrans-77.4151.9148.3172.834000110.3A371D369-A371 PolarHBondContact OD1-N 2.93Å
370N33.6Very low33Very low143 Ų143152 Ų15277%0.76579%0.793SS**  trans-164.290.3155.3-111.5-85.6000109.9
371A32.4Very low32.8Very low72 Ų72154.4 Ų154.460%0.59579%0.794SS**  trans-68.6144.3175.600000113.8D369D369-A371 PolarHBondContact OD1-N 2.93Å
372Q31.5Very low32.6Very low185 Ų185151.1 Ų151.186%0.86479%0.791SS**  trans-166.4128.2144.1-111.4150.1104.600114.8
373V33.4Very low32.6Very low135 Ų135149.9 Ų149.982%0.81879%0.786SS**  trans-152145.8174.4-156.60000102.8
374P41.6Very low32.8Very low98 Ų98146.2 Ų146.264%0.63677%0.77SS**  cis-158166.643.144.1-22.3000121.3
375K29Very low32.7Very low192 Ų192148 Ų14884%0.83578%0.775SS**  trans65.6169.5142.6-76.8166.2-172176.40119
376P41.8Very low32.9Very low107 Ų107148.7 Ų148.770%0.69578%0.777SS**  cis-133.5160.6-24.730.8-11.4000116.3
377I32Very low33.2Very low161 Ų161146.9 Ų146.983%0.82678%0.775SS**  trans28.6123138.8-52.5164.7000119.7
378Q30.6Very low32.9Very low168 Ų168145.7 Ų145.779%0.78578%0.775SS**  trans-151.6146.8130.4-138.6171101.500114.7
379L31.8Very low32.6Very low157 Ų157145 Ų14582%0.82277%0.772SS**  trans-109.1125.5178.6168.873.1000109.1
380Q32.1Very low32.8Very low169 Ų169145.3 Ų145.379%0.7977%0.769SS**  trans-139.4156.6168-70.3-160.810.500113
381R28.7Very low32.7Very low244 Ų244146.5 Ų146.592%0.92177%0.774SS**  trans-152.1118.1-167175.2-168.8-167.1170.86.4109.5
382A29.9Very low32.8Very low97 Ų97151.1 Ų151.180%0.80278%0.784SS**  trans145.5154.4173.100000109.2
383K32Very low33Very low172 Ų172150.9 Ų150.975%0.74878%0.782SS**  cis-166.9163-32.8-141.2-171.8158.9-136.30108.8
384D30.5Very low33Very low101 Ų101155.5 Ų155.554%0.5479%0.785SS.*  trans41.6102.2155.3-53.7-23.6000120.3
385Q32.4Very low32.8Very low196 Ų196158.6 Ų158.692%0.91679%0.791SS**  175.4160.7110.9-94.2155.7109.800114.6
386V35.5Very low33.5Very low128 Ų128154 Ų15478%0.77678%0.783SS**  trans-134.9137.5178.8175.60000108.2
387P38.5Very low33.5Very low128 Ų128159.4 Ų159.483%0.83179%0.789SS**  -113.9166129.4-10.129.3000112.5
388A31.1Very low33.9Very low90 Ų90160.9 Ų160.974%0.74479%0.79SS**  trans-107.2-161-168.300000113.5
389E28.1Very low34.3Very low167 Ų167162.5 Ų162.578%0.7880%0.795SS**  trans83.5136.5-177.2-54-155.496.200115.1
390Q31.7Very low34.5Very low141 Ų141161.6 Ų161.666%0.65979%0.791SS**  cis-147.6145.91.2-123.9166.338.800110.4
391L31.6Very low35.1Very low168 Ų168160.7 Ų160.788%0.8879%0.787SS**  trans-106.9107.9-178-126.6176.8000110.5
392H35.6Very low35.3Very low170 Ų170155.3 Ų155.379%0.78778%0.776SS**  trans-101.3106.9174.9-93.3-68.3000112.3
393H34.4Very low35.8Very low179 Ų179159.1 Ų159.183%0.82978%0.777SS**  trans-88.8122.8178.2-167.375.5000110.4
394R34.8Very low36.1Very low233 Ų233155.9 Ų155.988%0.87978%0.776SS**  trans-131.677.2177.2-164.2176.2-174.2165.25113.8
395Q37.2Very low37.2Very low163 Ų163156 Ų15676%0.76278%0.782SS**  trans24.4110.7136.6-168.7171.622.900118.5
396S42.8Very low37.5Very low95 Ų95152.8 Ų152.866%0.66478%0.776SS**  trans17.5129.9149.563.40000120.4
397R41.8Very low37.6Very low220 Ų220152.1 Ų152.183%0.8377%0.768SS**  trans-127.8124.7141-69-169.5-178.9-145.91.1109.8
398F40.9Very low38.1Very low193 Ų193152 Ų15285%0.84677%0.768SS**  trans-70141149.2-77.7-107.2000107.6
399F38.3Very low38.8Very low201 Ų201155.3 Ų155.388%0.88277%0.768SS**  trans-150.2152.8140.7-101.8-70.1000108.1
400D36.7Very low39.3Very low139 Ų139156.6 Ų156.674%0.74377%0.773SS**  trans-115.4171.9-164.2-135.5-22.3000111.9
401E44.1Very low39.7Very low150 Ų150153.2 Ų153.270%0.70178%0.776SS**  trans7.2120161.4-63177.7156.400119.5
402N33.1Very low40.3Very low130 Ų130150 Ų15070%0.69577%0.768SS**  170.3143.196.7-92-56.5000116
403E40.3Very low40.9Very low178 Ų178152 Ų15283%0.83277%0.774SS**  trans59.3149153.8-61.3-178.3158.200119.1
404S39.6Very low41.7Very low103 Ų103150 Ų15072%0.7277%0.769SS**  cis-153.9-169.918.7-1460000111.1
405P52.7Low42.3Very low104 Ų104143.3 Ų143.368%0.67576%0.764SS**  -129-171.9-100.838.4-18.6000117.2
406V39.3Very low42.9Very low128 Ų128142.1 Ų142.178%0.77676%0.763SS**  trans80141.1169.1-166.60000114.3
407D37.2Very low43.3Very low114 Ų114146.8 Ų146.861%0.6177%0.767SS**  cis-132.7138.613-158.4-44.5000113Q409D407-Q409 PolarHBondContact O-N 3.44Å; D407-Q409 PolarHBondContact OD1-N 3.24Å
408P49.7Very low43.9Very low127 Ų127142.4 Ų142.483%0.82576%0.76SS**  trans-75.1-4.5172.1-18.633.8000117.5H410P408-H410 PolarHBondContact O-N 2.87Å; P408-H410 VanDerWaalsContact O-N 3.14Å
409Q45.3Very low44.4Very low159 Ų159136.5 Ų136.574%0.74375%0.754SS**  trans-86.669.5-170.2-67.4-160.46.200116.8D407D407-Q409 PolarHBondContact O-N 3.44Å; D407-Q409 PolarHBondContact OD1-N 3.24Å
410H39.2Very low44.6Very low193 Ų193132.8 Ų132.889%0.89474%0.743SS**  trans-147.877.9149-88.7-40.7000112.1P408P408-H410 PolarHBondContact O-N 2.87Å; P408-H410 VanDerWaalsContact O-N 3.14Å
411G39.1Very low45.6Very low70 Ų70134.2 Ų134.272%0.72275%0.751SS**  trans-64.5160.416600000112.5K413G411-K413 PolarHBondContact O-N 3.47Å
412S45.1Very low46Very low102 Ų102129.6 Ų129.671%0.71374%0.743SS**  trans-48.8117.2-177.850.80000114L414S412-L414 PolarHBondContact O-N 2.93Å
413K47.7Very low46.6Very low212 Ų212129.6 Ų129.692%0.92274%0.743SS**  trans-72.882.7153.3-80.8-169.1173.1-174.80109.4G411G411-K413 PolarHBondContact O-N 3.47Å
414L49.8Very low47.3Very low135 Ų135127 Ų12771%0.70774%0.739SS**  trans-59.2140.9152-78.4152.4000107.8S412 D416S412-L414 PolarHBondContact O-N 2.93Å; L414-D416 PolarHBondContact O-N 3.38Å
415A49.1Very low48.1Very low94 Ų94124.3 Ų124.378%0.77773%0.728SS**  trans-8493.217700000109Y417A415-Y417 PolarHBondContact O-N 3.21Å
416D48.9Very low48.2Very low138 Ų138128.5 Ų128.574%0.73874%0.738SS**  trans-67.386.4167.9-69.7-38.4000108.9L414 N418L414-D416 PolarHBondContact O-N 3.38Å; D416-N418 PolarHBondContact O-N 3.24Å; D416-N418 PolarHBondContact O-OD1 2.93Å
417Y52.2Low48.8Very low193 Ų193132.2 Ų132.276%0.75774%0.74SS**  trans-82.863.4174.4-156.4-87.5000109.8A415 G419A415-Y417 PolarHBondContact O-N 3.21Å; Y417-G419 PolarHBondContact O-N 2.96Å; Y417-G419 VanDerWaalsContact O-N 3.11Å
418N53.9Low49.6Very low128 Ų128135.6 Ų135.668%0.68475%0.752SS**  trans-65.4107.5167.942.2-105.6000108.7D416 D420D416-N418 PolarHBondContact O-N 3.24Å; D416-N418 PolarHBondContact O-OD1 2.93Å; N418-D420 PolarHBondContact O-N 3.39Å
419G50.9Low49.6Very low69 Ų69132.4 Ų132.471%0.71174%0.736SS**  trans-60.693.6-170.900000113.6Y417Y417-G419 PolarHBondContact O-N 2.96Å; Y417-G419 VanDerWaalsContact O-N 3.11Å
420D43.3Very low49.9Very low123 Ų123131.8 Ų131.866%0.65874%0.738SS**  trans-101.9120.7167.7-1771.1000107.7N418 G422N418-D420 PolarHBondContact O-N 3.39Å; D420-G422 PolarHBondContact O-N 2.91Å; D420-G422 PolarHBondContact OD1-N 2.86Å
421D56.6Low50.5Low169 Ų169131.2 Ų131.290%0.90473%0.733SS**THydrogen-bonded Turntrans-69.83.8-178.4-70.4-46.2000113N423D421-N423 VanDerWaalsContact C-N 3.31Å; D421-N423 PolarHBondContact O-N 3.44Å
422G52.9Low51.2Low53 Ų53135.5 Ų135.555%0.54673%0.734SS.*THydrogen-bonded Turntrans-71.7-7.4177.200000116.7D420 V424D420-G422 PolarHBondContact O-N 2.91Å; D420-G422 PolarHBondContact OD1-N 2.86Å; G422-V424 VanDerWaalsContact C-N 3.27Å; G422-V424 PolarHBondContact O-N 3.49Å
423N45.2Very low51.4Low129 Ų129134 Ų13469%0.6973%0.729SS**  trans-78.272.2179.6-168.494.4000112.1D421 G425D421-N423 VanDerWaalsContact C-N 3.31Å; D421-N423 PolarHBondContact O-N 3.44Å; N423-G425 PolarHBondContact O-N 2.98Å
424V55.3Low51.5Low123 Ų123131.7 Ų131.775%0.74572%0.721SS**PPolyproline II helixtrans-66.3119.6170.2-175.20000109G422 E426G422-V424 VanDerWaalsContact C-N 3.27Å; G422-V424 PolarHBondContact O-N 3.49Å; V424-E426 PolarHBondContact O-N 3.16Å
425G57.1Low51.6Low47 Ų47132.1 Ų132.149%0.48572%0.723SS.*PPolyproline II helixtrans-66.6126.917600000111.6N423 Y427N423-G425 PolarHBondContact O-N 2.98Å; G425-Y427 WeakPolarHBondContact O-CD2 3.21Å; G425-Y427 PolarHBondContact O-N 3.03Å
426E54.4Low51.8Low193 Ų193131.8 Ų131.890%0.90272%0.72SS**PPolyproline II helixtrans-65.8125.9170.5-65.2-177.6-163.400109.2V424 E428V424-E426 PolarHBondContact O-N 3.16Å; E426-E428 PolarHBondContact O-N 3.33Å
427Y52Low51.8Low206 Ų206135.4 Ų135.481%0.80873%0.725SS**  trans-78.3115-173.3-82.9-107.7000111.2G425 A429G425-Y427 WeakPolarHBondContact O-CD2 3.21Å; G425-Y427 PolarHBondContact O-N 3.03Å; Y427-A429 PolarHBondContact O-N 2.88Å
428E53.3Low51.7Low184 Ų184133.1 Ų133.186%0.8673%0.726SS**G310 helixtrans-7021.7174.3-58.8-170.8123.100114.4E426E426-E428 PolarHBondContact O-N 3.33Å
429A50.6Low51.6Low60 Ų60136 Ų13650%0.49674%0.735SS.*G310 helixtrans-72.4-42.4-170.700000113.6Y427 K431 Q432Y427-A429 PolarHBondContact O-N 2.88Å; A429-K431 PolarHBondContact O-N 2.81Å; A429-Q432 PolarHBondContact O-N 3.26Å
430D52Low51.7Low146 Ų146142.2 Ų142.278%0.78175%0.746SS**G310 helixtrans-72-4.1-167.3-69.6-2.5000114.1
431K51.8Low52.1Low181 Ų181145 Ų14579%0.78776%0.755SS**G310 helixtrans-89.4-2.2179.7-147.8-176.5-179.2-1790114.8A429A429-K431 PolarHBondContact O-N 2.81Å
432Q52.7Low51.6Low160 Ų160145.1 Ų145.175%0.74876%0.756SS**SBendtrans-102.1-13.2176.6-63-170.810.700113.5A429A429-Q432 PolarHBondContact O-N 3.26Å
433A50.5Low51Low72 Ų72146.8 Ų146.860%0.59577%0.773SS**G310 helixtrans-72.3-31.3-17900000113.8L435 A436A433-L435 PolarHBondContact O-N 2.77Å; A433-A436 PolarHBondContact O-N 3.24Å
434E49.8Very low51Low162 Ų162148.6 Ų148.676%0.75778%0.783SS**G310 helixtrans-67.9-12.9-178.3-66.1-169.2141.800114.3
435L51.5Low50.5Low145 Ų145146.1 Ų146.176%0.75978%0.781SS**G310 helixtrans-87.6-11.6177-66176.8000113.6A433A433-L435 PolarHBondContact O-N 2.77Å
436A52.5Low49.6Very low87 Ų87147.8 Ų147.872%0.71980%0.799SS**SBendtrans-96.311-173.200000114.5A433A433-A436 PolarHBondContact O-N 3.24Å
437Y48.8Very low49.2Very low213 Ų213147.7 Ų147.784%0.83580%0.799SS**SBendtrans-13018.8-172.6-138.6-98.7000114.5
438N50.4Low48.9Very low146 Ų146146.8 Ų146.878%0.78180%0.802SS**SBendtrans-125.313.5-177.4-83.5-9.7000114
439E51.1Low48.6Very low187 Ų187145.6 Ų145.687%0.87480%0.801SS**SBendtrans-112.612.7179.3-67.8-167.6146.700114
440E52.9Low48.5Very low200 Ų200148.2 Ų148.294%0.93581%0.811SS**SBendtrans-111.139.4177.1-70.6-163.7175.100114.4
441E52.7Low48.1Very low183 Ų183150.3 Ų150.386%0.85582%0.816SS**SBendtrans-150.881.1162.5-158.1164.7-148.200113.2
442D46.2Very low47.9Very low170 Ų170148.7 Ų148.791%0.90982%0.816SS**  trans-174.784.4143.1-104.1-18.5000109.6
443G39.9Very low47.7Very low88 Ų88148.2 Ų148.291%0.90782%0.818SS**  trans-102.2109.5173.200000111.1
444D44.9Very low47.5Very low168 Ų168152 Ų15290%0.89883%0.829SS**  trans-121136.8164.3-165.811.5000110
445G45Very low47.6Very low70 Ų70151.1 Ų151.172%0.72283%0.829SS**  trans-116.2106.5-167.400000112
446G38.5Very low47.5Very low83 Ų83154 Ų15486%0.85683%0.83SS**  trans-110.990.5175.400000112.4
447E45.1Very low47.1Very low191 Ų191157.4 Ų157.489%0.89384%0.836SS**  trans-84121161.8-64.3175.8-145.400108.8
448E46.9Very low47Very low187 Ų187155 Ų15587%0.87484%0.836SS**  trans-159.8110.8155.8-121.1167.8-141.900113.3
449D46.4Very low46.9Very low158 Ų158156.4 Ų156.485%0.84584%0.838SS**  trans46.4140.1148-69.9-6.6000125.4
450V49.3Very low46.6Very low116 Ų116155.5 Ų155.570%0.70384%0.839SS**  trans-75.8141.8171.7175.40000111.4
451Q42.8Very low46.1Very low190 Ų190157.7 Ų157.789%0.88884%0.839SS**  trans-149.1131.3150.3-134.5143.3103.900111.4
452D47.4Very low45.7Very low146 Ų146158 Ų15878%0.78184%0.841SS**  trans-77.1141.5175.7-47.4-80.1000110.7
453D48.3Very low45.4Very low150 Ų150161.6 Ų161.680%0.80284%0.841SS**  trans-154.559.2166.1-130.5-4.7000110
454D46Very low45.4Very low151 Ų151161.1 Ų161.181%0.80783%0.829SS**  trans-64.9169.5158.7-96.6-44.2000110.3
455D52.3Low45.2Very low145 Ų145159.5 Ų159.578%0.77582%0.824SS**  trans66.576.9176.6-68.8-25.8000117.7
456R50.1Low44.9Very low205 Ų205162.3 Ų162.377%0.77482%0.823SS**SBendtrans-143.6-30.7153-147.1158.8-68.7-163.58.9120.4
457D44.9Very low44.9Very low159 Ų159169.9 Ų169.985%0.8583%0.828SS**SBendtrans-100.44.9-169-75.4-40.7000117.1Q459D457-Q459 VanDerWaalsContact C-N 3.3Å; D457-Q459 PolarHBondContact O-N 2.87Å; D457-Q459 VanDerWaalsContact O-N 3.15Å
458I46.8Very low44.5Very low163 Ų163163.4 Ų163.484%0.83681%0.812SS**THydrogen-bonded Turntrans-89.446.6-178.8-37.6-177.4000112.7
459Q47Very low44.2Very low175 Ų175163.7 Ų163.782%0.81881%0.81SS**THydrogen-bonded Turntrans-131.1-24.5176.1-66.6-165.6500115.8D457 R461D457-Q459 VanDerWaalsContact C-N 3.3Å; D457-Q459 PolarHBondContact O-N 2.87Å; D457-Q459 VanDerWaalsContact O-N 3.15Å; Q459-R461 PolarHBondContact O-N 3.15Å
460D44.3Very low44Very low167 Ų167167.9 Ų167.989%0.89381%0.814SS**THydrogen-bonded Turntrans-93.119.8-165.8-97.98.3000116.3
461R43.5Very low43.6Very low246 Ų246168.8 Ų168.893%0.92881%0.81SS**THydrogen-bonded Turntrans-129.9-4.2-176.3-129-178-166.5-148.62.6119.4Q459Q459-R461 PolarHBondContact O-N 3.15Å
462E45Very low43.6Very low191 Ų191166.6 Ų166.689%0.89380%0.8SS**SBendtrans-134.737-176.6-151165-136.800115.5
463R38.6Very low43.1Very low244 Ų244165.8 Ų165.892%0.92180%0.796SS**  trans-159.8140.5162.3-107.9167.3-179.1175.12.4110.5
464A39.5Very low42.6Very low78 Ų78165 Ų16565%0.64579%0.792SS**  cis-163.3141.5-19.500000111.8
465V40.8Very low42.4Very low134 Ų134163.4 Ų163.481%0.81278%0.783SS**  trans62.5116.5136.5-179.60000120.4
466D38.5Very low42.2Very low130 Ų130163.3 Ų163.370%0.69578%0.781SS**  trans36.5117.9141.9-172.620.8000120.3G468D466-G468 PolarHBondContact OD1-N 3.16Å; D466-G468 VanDerWaalsContact OD1-N 3.08Å
467Y38.6Very low42.2Very low242 Ų242164.9 Ų164.995%0.94980%0.804SS**  trans-140.1110.2138.1-109.6-81.5000113.1
468G37.6Very low42.1Very low54 Ų54165.2 Ų165.256%0.55780%0.801SS**  95.747.8120.300000118.9D466 R470D466-G468 PolarHBondContact OD1-N 3.16Å; D466-G468 VanDerWaalsContact OD1-N 3.08Å; G468-R470 PolarHBondContact O-N 3.35Å
469K40.3Very low41.9Very low193 Ų193165.3 Ų165.384%0.83980%0.8SS**  trans-67.2110.2163.5-170.7174.9-175.41750110.6
470R43.1Very low41.6Very low246 Ų246164.8 Ų164.893%0.92880%0.799SS**  trans-119.1157.3168.3-81.6-165.1176.7-1641112.5G468G468-R470 PolarHBondContact O-N 3.35Å
471H40.8Very low41.4Very low136 Ų136164.6 Ų164.663%0.6379%0.793SS**  trans-108.4146.7-160.3-97.5-129.5000113.8
472Q42.5Very low41.3Very low143 Ų143159.6 Ų159.667%0.66879%0.785SS**  trans71.9113.3135.4-70.8170.2-37.500122.3
473N37.1Very low41Very low129 Ų129157.5 Ų157.569%0.6978%0.777SS**  76.6161116-58.26.7000121.8
474N37.8Very low41.2Very low134 Ų134151.3 Ų151.372%0.71777%0.767SS**  trans74.4140.2167.4-6020.4000116.2
475D40.5Very low41.3Very low118 Ų118156.9 Ų156.963%0.63178%0.777SS**  cis-158.5151.2-13.3-108.1-30.7000112.5
476I49.3Very low41.4Very low143 Ų143158.8 Ų158.873%0.73377%0.774SS**  trans39.4116.9142.7-56.3159.9000119.7
477L50.4Low41.6Very low238 Ų238161.5 Ų161.5100%1.24678%0.781SS**  -148.10115.1-165.864.8000111.3

Retrieved 477 of 477 residues in 249.8 ms (Link to these results)