G4VKU3_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4VKU3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 324 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
1M34.4Very low51.1Low244 Ų244159.3 Ų159.3100%1.20275%0.746SS**  0114.60-75.5-160.7-13000107
2I39Very low52.7Low162 Ų162157.2 Ų157.283%0.83174%0.744SS**  trans-82.6123.7-179.7-64.3169.6000106.7L4I2-L4 PolarHBondContact O-N 3.42Å
3E37.2Very low54.6Low180 Ų180154.2 Ų154.284%0.84173%0.734SS**  trans-56.2109.3177.6-69177.814700109.7E5E3-E5 PolarHBondContact O-N 3.08Å
4L45.3Very low56.3Low140 Ų140149.6 Ų149.673%0.73371%0.712SS**  trans-68.188.4163.6-95.987.9000107.4I2 R6I2-L4 PolarHBondContact O-N 3.42Å; L4-R6 PolarHBondContact O-N 2.92Å
5E43.8Very low57.7Low157 Ų157140.5 Ų140.573%0.73467%0.669SS**  trans-50.2123.6160.8-80.4-171.9147.300108.2E3 R7E3-E5 PolarHBondContact O-N 3.08Å; E5-R7 PolarHBondContact O-N 2.58Å
6R44.1Very low59.1Low252 Ų252141.3 Ų141.395%0.95167%0.669SS**  trans-59.881.3178.7-68.1177.8179.9161.10.5110.6L4 K8L4-R6 PolarHBondContact O-N 2.92Å; R6-K8 PolarHBondContact O-N 3.37Å
7R54.8Low60.3Low203 Ų203138.1 Ų138.177%0.76666%0.657SS**PPolyproline II helixtrans-66.8130.8168.4-72.8-175.6173.3176.1-0.1107.9E5E5-R7 PolarHBondContact O-N 2.58Å
8K62.5Low61.3Low189 Ų189137.4 Ų137.482%0.82265%0.647SS**PPolyproline II helixtrans-54.3132.6171.4-82.3178.4176.5175.30108.4R6 F10R6-K8 PolarHBondContact O-N 3.37Å; K8-F10 PolarHBondContact O-N 3.05Å
9P63.1Low62.3Low93 Ų93132.2 Ų132.260%0.60462%0.623SS**PPolyproline II helixtrans-59.4139.2176.624.5-32.5000109.5
10F65.9Low63.2Low48 Ų48130.2 Ų130.221%0.21162%0.624CS.*PPolyproline II helixtrans-70.3140.1174.3-73.3-78.6000109.3K8 Q14 I15 F30 S34K8-F10 PolarHBondContact O-N 3.05Å; F10-Q14 HydrophobicContact CB-CB 4.13Å; F10-Q14 HydrophobicContact CD1-CB 3.81Å; F10-Q14 HydrophobicContact CG-CB 4.42Å; F10-I15 HydrophobicContact CB-CD1 4.21Å; F10-I15 HydrophobicContact CB-CG1 3.59Å; F10-F30 HydrophobicContact CD2-CZ 4.48Å; F10-F30 HydrophobicContact CE2-CE2 4.42Å; F10-S34 PolarHBondContact N-O 3.22Å
11T71.6Confident64.2Low84 Ų84132.2 Ų132.252%0.51563%0.63SS.*PPolyproline II helixtrans-69151.6167.149.40000110L13 Q14 I15T11-L13 PolarHBondContact O-N 3.44Å; T11-Q14 WeakPolarHBondContact O-CA 3.3Å; T11-Q14 WeakPolarHBondContact O-CB 3.25Å; T11-Q14 PolarHBondContact O-N 2.97Å; T11-Q14 VanDerWaalsContact OG1-CG 3.24Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.35Å; T11-Q14 PolarHBondContact OG1-OE1 3.19Å; T11-I15 PolarHBondContact O-N 3.13Å
12D70.8Confident66.3Low134 Ų134123 Ų12372%0.71759%0.586SS**Hα-helixtrans-49.5-37.7179-62.3-4.5000112.9I15 K16D12-I15 PolarHBondContact O-N 3.33Å; D12-K16 WeakPolarHBondContact O-CB 3.37Å; D12-K16 PolarHBondContact O-N 3.47Å
13L76.8Confident68.1Low118 Ų118118.6 Ų118.662%0.61857%0.568SS**Hα-helixtrans-64.7-39.1176.5-17263.6000112.4T11 N17T11-L13 PolarHBondContact O-N 3.44Å; L13-N17 VanDerWaalsContact O-CB 3.26Å; L13-N17 WeakPolarHBondContact O-CB 3.37Å; L13-N17 VanDerWaalsContact O-CG 3.23Å; L13-N17 PolarHBondContact O-N 2.83Å; L13-N17 PolarHBondContact O-ND2 2.87Å
14Q79.3Confident69.7Low90 Ų90114.4 Ų114.442%0.42155%0.554SS.*Hα-helixtrans-70.6-37.6176.2-69.3168.5-32.400111.8F10 T11 R18F10-Q14 HydrophobicContact CB-CB 4.13Å; F10-Q14 HydrophobicContact CD1-CB 3.81Å; F10-Q14 HydrophobicContact CG-CB 4.42Å; T11-Q14 WeakPolarHBondContact O-CA 3.3Å; T11-Q14 WeakPolarHBondContact O-CB 3.25Å; T11-Q14 PolarHBondContact O-N 2.97Å; T11-Q14 VanDerWaalsContact OG1-CG 3.24Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.35Å; T11-Q14 PolarHBondContact OG1-OE1 3.19Å; Q14-R18 WeakPolarHBondContact O-CB 3.35Å; Q14-R18 WeakPolarHBondContact O-CG 3.41Å; Q14-R18 PolarHBondContact O-N 3.19Å; Q14-R18 VanDerWaalsContact O-N 3.1Å
15I77.8Confident70.8Confident14 Ų14116.3 Ų116.37%0.07256%0.557CS.*Hα-helixtrans-62.8-52.4175-62.8175.8000109.4F10 T11 D12 N17 R18 L19 F30 L31 L38F10-I15 HydrophobicContact CB-CD1 4.21Å; F10-I15 HydrophobicContact CB-CG1 3.59Å; T11-I15 PolarHBondContact O-N 3.13Å; D12-I15 PolarHBondContact O-N 3.33Å; I15-N17 PolarHBondContact O-N 3.36Å; I15-R18 PolarHBondContact O-N 3.29Å; I15-R18 VanDerWaalsContact O-N 3.15Å; I15-L19 HydrophobicContact CG2-CD1 3.65Å; I15-L19 HydrophobicContact CG2-CG 4.16Å; I15-L19 WeakPolarHBondContact O-CB 3.35Å; I15-L19 WeakPolarHBondContact O-CG 3.12Å; I15-L19 PolarHBondContact O-N 2.92Å; I15-F30 HydrophobicContact CG2-CE1 4.21Å; I15-L31 HydrophobicContact CG2-CD2 4.24Å; I15-L38 HydrophobicContact CD1-CD1 4.16Å
16K79.1Confident72.2Confident152 Ų152113.7 Ų113.766%0.66154%0.544SS*.Hα-helixtrans-59.4-45.1179.8-169.8176.8-178.7179.70112.5D12 R18 L19 S20D12-K16 WeakPolarHBondContact O-CB 3.37Å; D12-K16 PolarHBondContact O-N 3.47Å; K16-R18 VanDerWaalsContact C-N 3.28Å; K16-R18 PolarHBondContact O-N 3.44Å; K16-L19 PolarHBondContact O-N 3.37Å; K16-S20 PolarHBondContact O-N 2.85Å; K16-S20 VanDerWaalsContact O-N 3.14Å; K16-S20 PolarHBondContact O-OG 3.5Å
17N80.5Confident73.6Confident87 Ų87104.4 Ų104.447%0.46551%0.512SS..Hα-helixtrans-64.7-31.5178.7-79-17.2000113L13 I15 S20L13-N17 VanDerWaalsContact O-CB 3.26Å; L13-N17 WeakPolarHBondContact O-CB 3.37Å; L13-N17 VanDerWaalsContact O-CG 3.23Å; L13-N17 PolarHBondContact O-N 2.83Å; L13-N17 PolarHBondContact O-ND2 2.87Å; I15-N17 PolarHBondContact O-N 3.36Å; N17-S20 PolarHBondContact O-OG 3.03Å
18R77.6Confident74.1Confident126 Ų126100.1 Ų100.148%0.47550%0.499SS..Hα-helixtrans-82.4-41.9177.1-76.1-173175-165.41.4112.7Q14 I15 K16 S20 K21 F30Q14-R18 WeakPolarHBondContact O-CB 3.35Å; Q14-R18 WeakPolarHBondContact O-CG 3.41Å; Q14-R18 PolarHBondContact O-N 3.19Å; Q14-R18 VanDerWaalsContact O-N 3.1Å; I15-R18 PolarHBondContact O-N 3.29Å; I15-R18 VanDerWaalsContact O-N 3.15Å; K16-R18 VanDerWaalsContact C-N 3.28Å; K16-R18 PolarHBondContact O-N 3.44Å; R18-S20 VanDerWaalsContact C-N 3.27Å; R18-S20 PolarHBondContact O-N 3.31Å; R18-K21 PolarHBondContact O-N 3.14Å; R18-F30 HydrophobicContact CB-CE1 3.82Å; R18-F30 HydrophobicContact CB-CE2 4.11Å; R18-F30 HydrophobicContact CB-CZ 3.6Å; R18-F30 VanDerWaalsContact CD-CE2 3.49Å; R18-F30 VanDerWaalsContact CD-CZ 3.46Å; R18-F30 HydrophobicContact CG-CE2 4.46Å; R18-F30 HydrophobicContact CG-CZ 4.16Å
19L80.7Confident74.3Confident38 Ų3896.4 Ų96.420%0.19949%0.488CS..Hα-helixtrans-56.6-41.4175.9-76.3173.2000112.1I15 K16 K21 L22 Q27 F30 L31I15-L19 HydrophobicContact CG2-CD1 3.65Å; I15-L19 HydrophobicContact CG2-CG 4.16Å; I15-L19 WeakPolarHBondContact O-CB 3.35Å; I15-L19 WeakPolarHBondContact O-CG 3.12Å; I15-L19 PolarHBondContact O-N 2.92Å; K16-L19 PolarHBondContact O-N 3.37Å; L19-K21 PolarHBondContact O-N 3.06Å; L19-L22 PolarHBondContact O-N 2.89Å; L19-Q27 HydrophobicContact CD2-CB 3.69Å; L19-Q27 HydrophobicContact CD2-CG 3.83Å; L19-Q27 PolarHBondContact O-NE2 3.3Å; L19-F30 HydrophobicContact CD2-CD1 3.94Å; L19-F30 HydrophobicContact CG-CD1 4.18Å; L19-F30 HydrophobicContact CG-CE1 4.38Å; L19-L31 HydrophobicContact CD1-CD2 4.29Å; L19-L31 HydrophobicContact CD2-CD1 4.18Å; L19-L31 HydrophobicContact CD2-CD2 4.35Å; L19-L31 HydrophobicContact CD2-CG 4.08Å
20S80.1Confident74.6Confident92 Ų9293.6 Ų93.664%0.64347%0.466SS*.THydrogen-bonded Turntrans-61.7-16.3178.768.80000114.8K16 N17 R18K16-S20 PolarHBondContact O-N 2.85Å; K16-S20 VanDerWaalsContact O-N 3.14Å; K16-S20 PolarHBondContact O-OG 3.5Å; N17-S20 PolarHBondContact O-OG 3.03Å; R18-S20 VanDerWaalsContact C-N 3.27Å; R18-S20 PolarHBondContact O-N 3.31Å
21K83.5Confident74.6Confident174 Ų17493.2 Ų93.276%0.75747%0.466SS*.THydrogen-bonded Turntrans-103.8-7.1-177.4-62.1-179.5-176.9-174.90113.2R18 L19R18-K21 PolarHBondContact O-N 3.14Å; L19-K21 PolarHBondContact O-N 3.06Å
22L79.6Confident74.1Confident51 Ų5195.4 Ų95.427%0.26747%0.465SS..SBendtrans-103.2139.8-175.5-71.1170.3000111L19 E26 Q27 F30L19-L22 PolarHBondContact O-N 2.89Å; L22-E26 HydrophobicContact CB-CB 4.34Å; L22-E26 HydrophobicContact CD2-CB 4.27Å; L22-Q27 HydrophobicContact CB-CG 3.87Å; L22-Q27 PolarHBondContact O-NE2 3.4Å; L22-F30 HydrophobicContact CD1-CB 3.59Å; L22-F30 HydrophobicContact CD1-CD1 4.36Å; L22-F30 HydrophobicContact CD1-CD2 4.35Å; L22-F30 HydrophobicContact CD1-CG 3.84Å
23P75.7Confident73.4Confident69 Ų6991.5 Ų91.545%0.44846%0.457SS..  trans-53.2146.8165.1-2130.6000111.3F25 E26 Q27P23-F25 PolarHBondContact O-N 3.39Å; P23-E26 HydrophobicContact CB-CG 4.39Å; P23-E26 WeakPolarHBondContact CD-OE2 3.44Å; P23-E26 HydrophobicContact CG-CG 4.33Å; P23-E26 WeakPolarHBondContact O-CA 3.23Å; P23-E26 PolarHBondContact O-N 3.05Å; P23-Q27 PolarHBondContact O-N 2.97Å; P23-Q27 VanDerWaalsContact O-N 3.07Å
24V72Confident72.5Confident91 Ų9186.1 Ų86.155%0.55243%0.429SS*.Hα-helixtrans-50.5-39.1-176177.20000112.6E26 Q27 F28V24-E26 VanDerWaalsContact C-N 3.34Å; V24-E26 PolarHBondContact O-N 3.31Å; V24-Q27 PolarHBondContact O-N 3.45Å; V24-F28 HydrophobicContact CG1-CE2 4.42Å; V24-F28 VanDerWaalsContact O-CD2 3.28Å; V24-F28 WeakPolarHBondContact O-CD2 3.21Å
25F67.2Low71.4Confident181 Ų18184 Ų8479%0.79442%0.421SS*.Hα-helixtrans-68.9-29.9179-59.8-74.3000113.5P23P23-F25 PolarHBondContact O-N 3.39Å
26E72.6Confident70.2Confident101 Ų10189.2 Ų89.247%0.47245%0.447SS..Hα-helixtrans-88.1-17.4179.8-62.7-179.1-171.400112.6L22 P23 V24 F28 D29 F30L22-E26 HydrophobicContact CB-CB 4.34Å; L22-E26 HydrophobicContact CD2-CB 4.27Å; P23-E26 HydrophobicContact CB-CG 4.39Å; P23-E26 WeakPolarHBondContact CD-OE2 3.44Å; P23-E26 HydrophobicContact CG-CG 4.33Å; P23-E26 WeakPolarHBondContact O-CA 3.23Å; P23-E26 PolarHBondContact O-N 3.05Å; V24-E26 VanDerWaalsContact C-N 3.34Å; V24-E26 PolarHBondContact O-N 3.31Å; E26-F28 PolarHBondContact O-N 3.13Å; E26-D29 PolarHBondContact O-N 3.11Å; E26-F30 PolarHBondContact O-N 3.06Å; E26-F30 VanDerWaalsContact O-N 3.14Å
27Q75.2Confident68.9Low58 Ų5888.2 Ų88.227%0.27145%0.449SS..Hα-helixtrans-61.2-35.8173.7-70.2175.419.100111.5L19 L22 P23 V24 F30 L31L19-Q27 HydrophobicContact CD2-CB 3.69Å; L19-Q27 HydrophobicContact CD2-CG 3.83Å; L19-Q27 PolarHBondContact O-NE2 3.3Å; L22-Q27 HydrophobicContact CB-CG 3.87Å; L22-Q27 PolarHBondContact O-NE2 3.4Å; P23-Q27 PolarHBondContact O-N 2.97Å; P23-Q27 VanDerWaalsContact O-N 3.07Å; V24-Q27 PolarHBondContact O-N 3.45Å; Q27-F30 PolarHBondContact O-N 2.97Å; Q27-L31 WeakPolarHBondContact O-CG 3.48Å; Q27-L31 PolarHBondContact O-N 3.34Å
28F63.9Low67.7Low113 Ų11386.2 Ų86.250%0.49644%0.437SS..Hα-helixtrans-66.2-41.4178-74.5-80.7000112.6V24 E26 F30 L31 R32V24-F28 HydrophobicContact CG1-CE2 4.42Å; V24-F28 VanDerWaalsContact O-CD2 3.28Å; V24-F28 WeakPolarHBondContact O-CD2 3.21Å; E26-F28 PolarHBondContact O-N 3.13Å; F28-F30 VanDerWaalsContact C-N 3.33Å; F28-L31 PolarHBondContact O-N 3.23Å; F28-R32 PolarHBondContact O-N 3.36Å
29D66.7Low66.5Low111 Ų11183.3 Ų83.359%0.59443%0.429SS*.Hα-helixtrans-68.7-34.4177.2-70.8-24.3000111.7E26 R32E26-D29 PolarHBondContact O-N 3.11Å; D29-R32 PolarHBondContact O-N 3.07Å
30F70.6Confident65.4Low34 Ų3488.3 Ų88.315%0.14945%0.449CS..Hα-helixtrans-67.2-39.7174.9177.3-105.7000112.6F10 I15 R18 L19 L22 E26 Q27 F28 R32 G33 S34F10-F30 HydrophobicContact CD2-CZ 4.48Å; F10-F30 HydrophobicContact CE2-CE2 4.42Å; I15-F30 HydrophobicContact CG2-CE1 4.21Å; R18-F30 HydrophobicContact CB-CE1 3.82Å; R18-F30 HydrophobicContact CB-CE2 4.11Å; R18-F30 HydrophobicContact CB-CZ 3.6Å; R18-F30 VanDerWaalsContact CD-CE2 3.49Å; R18-F30 VanDerWaalsContact CD-CZ 3.46Å; R18-F30 HydrophobicContact CG-CE2 4.46Å; R18-F30 HydrophobicContact CG-CZ 4.16Å; L19-F30 HydrophobicContact CD2-CD1 3.94Å; L19-F30 HydrophobicContact CG-CD1 4.18Å; L19-F30 HydrophobicContact CG-CE1 4.38Å; L22-F30 HydrophobicContact CD1-CB 3.59Å; L22-F30 HydrophobicContact CD1-CD1 4.36Å; L22-F30 HydrophobicContact CD1-CD2 4.35Å; L22-F30 HydrophobicContact CD1-CG 3.84Å; E26-F30 PolarHBondContact O-N 3.06Å; E26-F30 VanDerWaalsContact O-N 3.14Å; Q27-F30 PolarHBondContact O-N 2.97Å; F28-F30 VanDerWaalsContact C-N 3.33Å; F30-R32 VanDerWaalsContact C-N 3.31Å; F30-R32 PolarHBondContact O-N 3.11Å; F30-G33 PolarHBondContact O-N 3.5Å; F30-S34 WeakPolarHBondContact O-CB 3.39Å; F30-S34 PolarHBondContact O-N 3.07Å; F30-S34 PolarHBondContact O-OG 3.46Å
31L66.1Low64.3Low39 Ų3989.9 Ų89.920%0.20445%0.447CS..Hα-helixtrans-66.7-32.2178.2-72.5163.9000112.5I15 L19 Q27 F28 G33 S34 L38I15-L31 HydrophobicContact CG2-CD2 4.24Å; L19-L31 HydrophobicContact CD1-CD2 4.29Å; L19-L31 HydrophobicContact CD2-CD1 4.18Å; L19-L31 HydrophobicContact CD2-CD2 4.35Å; L19-L31 HydrophobicContact CD2-CG 4.08Å; Q27-L31 WeakPolarHBondContact O-CG 3.48Å; Q27-L31 PolarHBondContact O-N 3.34Å; F28-L31 PolarHBondContact O-N 3.23Å; L31-G33 PolarHBondContact O-N 3.02Å; L31-G33 VanDerWaalsContact O-N 3.08Å; L31-S34 WeakPolarHBondContact CA-OG 3.18Å; L31-S34 PolarHBondContact O-OG 3.45Å; L31-L38 HydrophobicContact CD2-CD1 4.12Å; L31-L38 HydrophobicContact CD2-CD2 3.9Å
32R61Low63Low130 Ų13082.6 Ų82.649%0.49142%0.417SS..THydrogen-bonded Turntrans-60.6-15.7176.2-91.7-168-173.2-174.59.6115.3F28 D29 F30F28-R32 PolarHBondContact O-N 3.36Å; D29-R32 PolarHBondContact O-N 3.07Å; F30-R32 VanDerWaalsContact C-N 3.31Å; F30-R32 PolarHBondContact O-N 3.11Å
33G55.6Low62.3Low53 Ų5386 Ų8655%0.54643%0.432SS..THydrogen-bonded Turntrans-130.77.2-176.800000115.4F30 L31F30-G33 PolarHBondContact O-N 3.5Å; L31-G33 PolarHBondContact O-N 3.02Å; L31-G33 VanDerWaalsContact O-N 3.08Å
34S57.6Low62Low5 Ų587.8 Ų87.84%0.03544%0.437CS..THydrogen-bonded Turntrans-100-22.9-172.833.70000114.6F10 F30 L31F10-S34 PolarHBondContact N-O 3.22Å; F30-S34 WeakPolarHBondContact O-CB 3.39Å; F30-S34 PolarHBondContact O-N 3.07Å; F30-S34 PolarHBondContact O-OG 3.46Å; L31-S34 WeakPolarHBondContact CA-OG 3.18Å; L31-S34 PolarHBondContact O-OG 3.45Å
35D55.9Low61.7Low45 Ų4586 Ų8624%0.24143%0.426CS..  trans-153.3135.5173.6-162-12.1000110.8L37 L38 E39D35-L37 PolarHBondContact O-N 2.95Å; D35-L37 PolarHBondContact OD1-N 3.26Å; D35-L38 HydrophobicContact CB-CB 3.95Å; D35-L38 HydrophobicContact CB-CD1 3.66Å; D35-L38 HydrophobicContact CB-CG 4.21Å; D35-L38 CarbonylContact O-C 3.57Å; D35-L38 WeakPolarHBondContact O-CB 3.44Å; D35-L38 PolarHBondContact O-N 3.18Å; D35-L38 VanDerWaalsContact O-N 3.1Å; D35-E39 PolarHBondContact O-N 2.8Å
36I53.8Low61.6Low124 Ų12480.4 Ų80.464%0.63640%0.404SS*.Hα-helixtrans-63.6-28.6-179.9-66.5165.8000110.6K40I36-K40 PolarHBondContact O-N 3.06Å
37L50.5Low61.7Low131 Ų13182.8 Ų82.869%0.68641%0.41SS*.Hα-helixtrans-73.2-40.6174.7-66.5175.4000111.7D35 E39 K40 E41D35-L37 PolarHBondContact O-N 2.95Å; D35-L37 PolarHBondContact OD1-N 3.26Å; L37-E39 VanDerWaalsContact C-N 3.3Å; L37-K40 PolarHBondContact O-N 3.45Å; L37-E41 PolarHBondContact O-N 2.87Å; L37-E41 VanDerWaalsContact O-N 3.14Å
38L55.3Low61.5Low44 Ų4484.4 Ų84.423%0.2342%0.42CS..Hα-helixtrans-67.5-30.4172.7-85.4149.3000112.1I15 L31 D35 E41 S42I15-L38 HydrophobicContact CD1-CD1 4.16Å; L31-L38 HydrophobicContact CD2-CD1 4.12Å; L31-L38 HydrophobicContact CD2-CD2 3.9Å; D35-L38 HydrophobicContact CB-CB 3.95Å; D35-L38 HydrophobicContact CB-CD1 3.66Å; D35-L38 HydrophobicContact CB-CG 4.21Å; D35-L38 CarbonylContact O-C 3.57Å; D35-L38 WeakPolarHBondContact O-CB 3.44Å; D35-L38 PolarHBondContact O-N 3.18Å; D35-L38 VanDerWaalsContact O-N 3.1Å; L38-E41 PolarHBondContact O-N 2.83Å; L38-S42 WeakPolarHBondContact O-CA 3.42Å; L38-S42 WeakPolarHBondContact O-CB 3.49Å; L38-S42 PolarHBondContact O-N 3.12Å; L38-S42 PolarHBondContact O-OG 2.93Å; L38-S42 VanDerWaalsContact O-OG 3.12Å
39E53.6Low61.8Low65 Ų6586 Ų8630%0.30442%0.423SS..Hα-helixtrans-61.8-49.3176.8-159.9170.5-163.800110.4D35 L37 S42 E43D35-E39 PolarHBondContact O-N 2.8Å; L37-E39 VanDerWaalsContact C-N 3.3Å; E39-S42 PolarHBondContact O-N 2.95Å; E39-S42 PolarHBondContact O-OG 3.22Å; E39-E43 WeakPolarHBondContact O-CG 3.38Å; E39-E43 PolarHBondContact O-N 3.5Å
40K56.9Low62.1Low143 Ų14390.4 Ų90.462%0.62243%0.432SS*.Hα-helixtrans-63.5-42.6174.7-72.1-170.2176.3-174.80113.3I36 L37 S42 E43 I44I36-K40 PolarHBondContact O-N 3.06Å; L37-K40 PolarHBondContact O-N 3.45Å; K40-S42 VanDerWaalsContact C-N 3.33Å; K40-E43 PolarHBondContact O-N 3.46Å; K40-I44 WeakPolarHBondContact O-CG1 3.38Å; K40-I44 PolarHBondContact O-N 2.88Å; K40-I44 VanDerWaalsContact O-N 3.1Å
41E56.1Low62.6Low126 Ų12694.2 Ų94.259%0.58945%0.448SS*.Hα-helixtrans-66.9-37.1177.8-167.6173.6-17300111.5L37 L38 I44 T45L37-E41 PolarHBondContact O-N 2.87Å; L37-E41 VanDerWaalsContact O-N 3.14Å; L38-E41 PolarHBondContact O-N 2.83Å; E41-I44 PolarHBondContact O-N 3.1Å; E41-T45 VanDerWaalsContact O-CB 3.31Å; E41-T45 WeakPolarHBondContact O-CB 3.35Å; E41-T45 PolarHBondContact O-N 2.91Å; E41-T45 PolarHBondContact O-OG1 2.81Å
42S58Low63Low20 Ų2097.7 Ų97.714%0.1447%0.466CS..Hα-helixtrans-68.1-38.3175.577.80000111.8L38 E39 K40 T45 L46L38-S42 WeakPolarHBondContact O-CA 3.42Å; L38-S42 WeakPolarHBondContact O-CB 3.49Å; L38-S42 PolarHBondContact O-N 3.12Å; L38-S42 PolarHBondContact O-OG 2.93Å; L38-S42 VanDerWaalsContact O-OG 3.12Å; E39-S42 PolarHBondContact O-N 2.95Å; E39-S42 PolarHBondContact O-OG 3.22Å; K40-S42 VanDerWaalsContact C-N 3.33Å; S42-T45 PolarHBondContact O-N 3.22Å; S42-L46 VanDerWaalsContact O-CB 3.3Å; S42-L46 WeakPolarHBondContact O-CB 3.3Å; S42-L46 WeakPolarHBondContact O-CD1 3.5Å; S42-L46 WeakPolarHBondContact O-CG 3.35Å; S42-L46 PolarHBondContact O-N 3.22Å
43E63.9Low63.7Low122 Ų12299.9 Ų99.957%0.5748%0.475SS*.Hα-helixtrans-63.1-46.8174.7-80.1-177.3167.400111.7E39 K40 T45 L46 Y47E39-E43 WeakPolarHBondContact O-CG 3.38Å; E39-E43 PolarHBondContact O-N 3.5Å; K40-E43 PolarHBondContact O-N 3.46Å; E43-T45 VanDerWaalsContact C-N 3.31Å; E43-T45 PolarHBondContact O-N 3.31Å; E43-L46 PolarHBondContact O-N 2.91Å; E43-Y47 WeakPolarHBondContact O-CB 3.5Å; E43-Y47 PolarHBondContact O-N 3.38Å
44I68.8Low64.7Low108 Ų10898.7 Ų98.755%0.55446%0.463SS*.Hα-helixtrans-60.2-45.5175.7-66.9166.3000110.1K40 E41 L46 Y47 L48K40-I44 WeakPolarHBondContact O-CG1 3.38Å; K40-I44 PolarHBondContact O-N 2.88Å; K40-I44 VanDerWaalsContact O-N 3.1Å; E41-I44 PolarHBondContact O-N 3.1Å; I44-L46 PolarHBondContact O-N 2.91Å; I44-Y47 PolarHBondContact O-N 3.32Å; I44-L48 HydrophobicContact CG2-CD1 4.12Å; I44-L48 WeakPolarHBondContact O-CG 3.49Å; I44-L48 PolarHBondContact O-N 3.32Å
45T66.2Low65.8Low52 Ų52102.5 Ų102.532%0.31948%0.483SS..Hα-helixtrans-62-44.5179.2-60.60000111.4E41 S42 E43 L48 Y49E41-T45 VanDerWaalsContact O-CB 3.31Å; E41-T45 WeakPolarHBondContact O-CB 3.35Å; E41-T45 PolarHBondContact O-N 2.91Å; E41-T45 PolarHBondContact O-OG1 2.81Å; S42-T45 PolarHBondContact O-N 3.22Å; E43-T45 VanDerWaalsContact C-N 3.31Å; E43-T45 PolarHBondContact O-N 3.31Å; T45-L48 PolarHBondContact O-N 3.24Å; T45-Y49 HydrophobicContact CG2-CD2 3.62Å; T45-Y49 HydrophobicContact CG2-CE2 3.43Å; T45-Y49 VanDerWaalsContact CG2-CE2 3.43Å; T45-Y49 WeakPolarHBondContact O-CD2 3.41Å; T45-Y49 PolarHBondContact O-N 3.12Å
46L66Low66.8Low65 Ų65105 Ų10534%0.3450%0.495SS..Hα-helixtrans-66.1-38.2177.3-75.7161.9000112.6S42 E43 I44 Y49 R50S42-L46 VanDerWaalsContact O-CB 3.3Å; S42-L46 WeakPolarHBondContact O-CB 3.3Å; S42-L46 WeakPolarHBondContact O-CD1 3.5Å; S42-L46 WeakPolarHBondContact O-CG 3.35Å; S42-L46 PolarHBondContact O-N 3.22Å; E43-L46 PolarHBondContact O-N 2.91Å; I44-L46 PolarHBondContact O-N 2.91Å; L46-Y49 PolarHBondContact O-N 2.87Å; L46-R50 VanDerWaalsContact O-CB 3.3Å; L46-R50 WeakPolarHBondContact O-CB 3.44Å; L46-R50 PolarHBondContact O-N 3.3Å
47Y73.6Confident68Low151 Ų151102.9 Ų102.959%0.59249%0.485SS*.Hα-helixtrans-60.8-46.3173.3174.7-96000111E43 I44 R50 K51E43-Y47 WeakPolarHBondContact O-CB 3.5Å; E43-Y47 PolarHBondContact O-N 3.38Å; I44-Y47 PolarHBondContact O-N 3.32Å; Y47-R50 PolarHBondContact O-N 3.29Å; Y47-K51 WeakPolarHBondContact O-CB 3.46Å; Y47-K51 PolarHBondContact O-N 2.88Å
48L71.7Confident69.3Low91 Ų91101.2 Ų101.248%0.47648%0.477SS..Hα-helixtrans-63.1-45.9176.7-72169.6000112.1I44 T45 R50 K51 L52I44-L48 HydrophobicContact CG2-CD1 4.12Å; I44-L48 WeakPolarHBondContact O-CG 3.49Å; I44-L48 PolarHBondContact O-N 3.32Å; T45-L48 PolarHBondContact O-N 3.24Å; L48-R50 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 2.86Å; L48-K51 PolarHBondContact O-N 3.49Å; L48-L52 WeakPolarHBondContact O-CB 3.37Å; L48-L52 WeakPolarHBondContact O-CG 3.35Å; L48-L52 PolarHBondContact O-N 3.46Å
49Y70.5Confident70.3Confident146 Ų146103.4 Ų103.457%0.57349%0.488SS*.Hα-helixtrans-61.7-40.5175.9-84.8-64.9000112.5T45 L46 R53T45-Y49 HydrophobicContact CG2-CD2 3.62Å; T45-Y49 HydrophobicContact CG2-CE2 3.43Å; T45-Y49 VanDerWaalsContact CG2-CE2 3.43Å; T45-Y49 WeakPolarHBondContact O-CD2 3.41Å; T45-Y49 PolarHBondContact O-N 3.12Å; L46-Y49 PolarHBondContact O-N 2.87Å; Y49-R53 VanDerWaalsContact O-CB 3.27Å; Y49-R53 WeakPolarHBondContact O-CB 3.35Å; Y49-R53 PolarHBondContact O-N 3.45Å
50R73.1Confident71.3Confident205 Ų205104.7 Ų104.777%0.77450%0.497SS*.Hα-helixtrans-65-40.9176.7-176.4-179.5-92.6-172.5-6.7111.1L46 Y47 L48 R53 G54L46-R50 VanDerWaalsContact O-CB 3.3Å; L46-R50 WeakPolarHBondContact O-CB 3.44Å; L46-R50 PolarHBondContact O-N 3.3Å; Y47-R50 PolarHBondContact O-N 3.29Å; L48-R50 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 2.86Å; R50-R53 PolarHBondContact O-N 2.85Å; R50-G54 PolarHBondContact O-N 3.11Å
51K79.8Confident72.3Confident113 Ų113101.4 Ų101.449%0.49149%0.489SS..Hα-helixtrans-63.9-50.9176-170.9176.9179.1-178.40111.4Y47 L48 R53 G54 D55Y47-K51 WeakPolarHBondContact O-CB 3.46Å; Y47-K51 PolarHBondContact O-N 2.88Å; L48-K51 PolarHBondContact O-N 3.49Å; K51-R53 VanDerWaalsContact C-N 3.28Å; K51-R53 PolarHBondContact O-N 2.99Å; K51-G54 PolarHBondContact O-N 3.04Å; K51-G54 VanDerWaalsContact O-N 3.12Å; K51-D55 VanDerWaalsContact O-CG 3.3Å; K51-D55 PolarHBondContact O-N 3.48Å
52L75Confident73.2Confident112 Ų11299.8 Ų99.859%0.58648%0.484SS*.Hα-helixtrans-58.4-39.1176.9-74.1168.9000112.5L48 D55 L56L48-L52 WeakPolarHBondContact O-CB 3.37Å; L48-L52 WeakPolarHBondContact O-CG 3.35Å; L48-L52 PolarHBondContact O-N 3.46Å; L52-D55 PolarHBondContact O-N 3.05Å; L52-L56 WeakPolarHBondContact O-CB 3.26Å; L52-L56 PolarHBondContact O-N 3.49Å
53R75.7Confident73.8Confident177 Ų177102.3 Ų102.367%0.66850%0.495SS*.Hα-helixtrans-66.6-43.1175.9-172.5175.1-178.1178.92.4111.8Y49 R50 K51 L56 D57Y49-R53 VanDerWaalsContact O-CB 3.27Å; Y49-R53 WeakPolarHBondContact O-CB 3.35Å; Y49-R53 PolarHBondContact O-N 3.45Å; R50-R53 PolarHBondContact O-N 2.85Å; K51-R53 VanDerWaalsContact C-N 3.28Å; K51-R53 PolarHBondContact O-N 2.99Å; R53-L56 PolarHBondContact O-N 2.91Å; R53-D57 WeakPolarHBondContact O-CB 3.43Å; R53-D57 VanDerWaalsContact O-CG 3.32Å; R53-D57 PolarHBondContact O-N 3.37Å
54G77.3Confident74.3Confident28 Ų28103.4 Ų103.429%0.28950%0.498SS..Hα-helixtrans-62.1-42.6174.500000112.4R50 K51 L56 D57 N58R50-G54 PolarHBondContact O-N 3.11Å; K51-G54 PolarHBondContact O-N 3.04Å; K51-G54 VanDerWaalsContact O-N 3.12Å; G54-L56 VanDerWaalsContact C-N 3.33Å; G54-L56 PolarHBondContact O-N 2.95Å; G54-D57 PolarHBondContact O-N 3.04Å; G54-N58 WeakPolarHBondContact O-CB 3.46Å; G54-N58 PolarHBondContact O-N 3.2Å; G54-N58 PolarHBondContact O-ND2 3.38Å
55D80.1Confident74.4Confident85 Ų85102.9 Ų102.946%0.45550%0.496SS..Hα-helixtrans-63.2-39.5176.1-66.1-21.8000111.4K51 L52 L59K51-D55 VanDerWaalsContact O-CG 3.3Å; K51-D55 PolarHBondContact O-N 3.48Å; L52-D55 PolarHBondContact O-N 3.05Å; D55-L59 WeakPolarHBondContact O-CB 3.3Å; D55-L59 PolarHBondContact O-N 3.35Å
56L76.7Confident74.4Confident96 Ų96106 Ų10650%0.50351%0.507SS..Hα-helixtrans-66.8-45.3175-176.866.8000112.4L52 R53 G54 N58 L59 L60L52-L56 WeakPolarHBondContact O-CB 3.26Å; L52-L56 PolarHBondContact O-N 3.49Å; R53-L56 PolarHBondContact O-N 2.91Å; G54-L56 VanDerWaalsContact C-N 3.33Å; G54-L56 PolarHBondContact O-N 2.95Å; L56-N58 VanDerWaalsContact C-N 3.32Å; L56-N58 PolarHBondContact O-N 3.06Å; L56-L59 WeakPolarHBondContact O-CB 3.39Å; L56-L59 PolarHBondContact O-N 3.47Å; L56-L60 HydrophobicContact CG-CD1 4.28Å; L56-L60 WeakPolarHBondContact O-CG 3.44Å; L56-L60 PolarHBondContact O-N 3.2Å
57D78.6Confident74Confident80 Ų80108.7 Ų108.743%0.42852%0.521SS..Hα-helixtrans-62.8-41.7177.9-72-25.1000110.4R53 G54 L60 V61R53-D57 WeakPolarHBondContact O-CB 3.43Å; R53-D57 VanDerWaalsContact O-CG 3.32Å; R53-D57 PolarHBondContact O-N 3.37Å; G54-D57 PolarHBondContact O-N 3.04Å; D57-L60 PolarHBondContact O-N 2.9Å; D57-V61 VanDerWaalsContact O-CG2 3.3Å; D57-V61 WeakPolarHBondContact O-CG2 3.45Å; D57-V61 PolarHBondContact O-N 2.82Å
58N77.8Confident73.2Confident97 Ų97105.7 Ų105.752%0.51952%0.522SS..Hα-helixtrans-62.1-43.5173.6-72.6-26.5000112G54 L56 L60 V61 N62G54-N58 WeakPolarHBondContact O-CB 3.46Å; G54-N58 PolarHBondContact O-N 3.2Å; G54-N58 PolarHBondContact O-ND2 3.38Å; L56-N58 VanDerWaalsContact C-N 3.32Å; L56-N58 PolarHBondContact O-N 3.06Å; N58-L60 VanDerWaalsContact C-N 3.34Å; N58-L60 PolarHBondContact O-N 3.46Å; N58-V61 PolarHBondContact O-N 2.99Å; N58-N62 WeakPolarHBondContact O-CB 3.45Å; N58-N62 VanDerWaalsContact O-CG 3.25Å; N58-N62 PolarHBondContact O-N 3.05Å
59L77.4Confident72.1Confident89 Ų89104.2 Ų104.247%0.46652%0.523SS..Hα-helixtrans-62-42.7176.5-164.3103.3000111.3D55 L56 N62 I63D55-L59 WeakPolarHBondContact O-CB 3.3Å; D55-L59 PolarHBondContact O-N 3.35Å; L56-L59 WeakPolarHBondContact O-CB 3.39Å; L56-L59 PolarHBondContact O-N 3.47Å; L59-N62 PolarHBondContact O-N 2.85Å; L59-I63 HydrophobicContact CD2-CD1 3.82Å; L59-I63 HydrophobicContact CG-CD1 4.11Å; L59-I63 WeakPolarHBondContact O-CB 3.29Å; L59-I63 VanDerWaalsContact O-CG1 3.24Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 3.45Å
60L74.4Confident70.8Confident92 Ų92105.3 Ų105.348%0.48254%0.539SS..Hα-helixtrans-65.3-39.2176.9-74.4171.3000112.3L56 D57 N58 K64L56-L60 HydrophobicContact CG-CD1 4.28Å; L56-L60 WeakPolarHBondContact O-CG 3.44Å; L56-L60 PolarHBondContact O-N 3.2Å; D57-L60 PolarHBondContact O-N 2.9Å; N58-L60 VanDerWaalsContact C-N 3.34Å; N58-L60 PolarHBondContact O-N 3.46Å; L60-K64 WeakPolarHBondContact O-CB 3.34Å; L60-K64 PolarHBondContact O-N 3.36Å
61V77Confident69.6Low74 Ų74101.3 Ų101.345%0.44854%0.538SS..Hα-helixtrans-63.8-44.6173.8169.80000110.7D57 N58 K64 N65D57-V61 VanDerWaalsContact O-CG2 3.3Å; D57-V61 WeakPolarHBondContact O-CG2 3.45Å; D57-V61 PolarHBondContact O-N 2.82Å; N58-V61 PolarHBondContact O-N 2.99Å; V61-K64 PolarHBondContact O-N 3.3Å; V61-N65 WeakPolarHBondContact O-CB 3.4Å; V61-N65 VanDerWaalsContact O-CG 3.22Å; V61-N65 PolarHBondContact O-N 3.13Å; V61-N65 PolarHBondContact O-ND2 2.96Å
62N75.9Confident67.9Low93 Ų93104.9 Ų104.950%0.49756%0.556SS.*Hα-helixtrans-61.8-46.4177-70.8-12.1000111.5N58 L59 K64 N65 E66N58-N62 WeakPolarHBondContact O-CB 3.45Å; N58-N62 VanDerWaalsContact O-CG 3.25Å; N58-N62 PolarHBondContact O-N 3.05Å; L59-N62 PolarHBondContact O-N 2.85Å; N62-K64 VanDerWaalsContact C-N 3.3Å; N62-K64 PolarHBondContact O-N 3.31Å; N62-N65 PolarHBondContact O-N 3.16Å; N62-E66 PolarHBondContact O-N 3Å
63I70Confident66.3Low73 Ų73105.6 Ų105.637%0.37457%0.565SS.*Hα-helixtrans-59.9-41.2175.4-70.2164.8000110.8L59 L67L59-I63 HydrophobicContact CD2-CD1 3.82Å; L59-I63 HydrophobicContact CG-CD1 4.11Å; L59-I63 WeakPolarHBondContact O-CB 3.29Å; L59-I63 VanDerWaalsContact O-CG1 3.24Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 3.45Å; I63-L67 HydrophobicContact CG2-CD1 3.63Å; I63-L67 HydrophobicContact CG2-CG 4.36Å; I63-L67 VanDerWaalsContact O-CB 3.25Å; I63-L67 WeakPolarHBondContact O-CB 3.26Å; I63-L67 WeakPolarHBondContact O-CD1 3.25Å; I63-L67 WeakPolarHBondContact O-CG 3.22Å; I63-L67 PolarHBondContact O-N 3.47Å
64K73.9Confident64.7Low145 Ų145106 Ų10663%0.6357%0.574SS**Hα-helixtrans-65.4-39.3177.3-173.3-177.7176.3-173.40112L60 V61 N62 S68L60-K64 WeakPolarHBondContact O-CB 3.34Å; L60-K64 PolarHBondContact O-N 3.36Å; V61-K64 PolarHBondContact O-N 3.3Å; N62-K64 VanDerWaalsContact C-N 3.3Å; N62-K64 PolarHBondContact O-N 3.31Å; K64-S68 WeakPolarHBondContact O-CB 3.49Å; K64-S68 PolarHBondContact O-N 3.3Å; K64-S68 VanDerWaalsContact O-N 3.13Å; K64-S68 PolarHBondContact O-OG 3.13Å
65N72.3Confident62.7Low96 Ų96111.2 Ų111.251%0.51360%0.601SS.*Hα-helixtrans-69-43.8178.4-69.5-15.5000111.1V61 N62 S68 A69V61-N65 WeakPolarHBondContact O-CB 3.4Å; V61-N65 VanDerWaalsContact O-CG 3.22Å; V61-N65 PolarHBondContact O-N 3.13Å; V61-N65 PolarHBondContact O-ND2 2.96Å; N62-N65 PolarHBondContact O-N 3.16Å; N65-S68 PolarHBondContact O-N 3.19Å; N65-S68 VanDerWaalsContact O-N 3.13Å; N65-A69 PolarHBondContact O-N 3.17Å; N65-A69 VanDerWaalsContact O-N 3.16Å
66E66.6Low61Low118 Ų118112.7 Ų112.755%0.55161%0.613SS**Hα-helixtrans-63.3-39.4174.2-75.9-179.8174.800111.8N62 S68 A69N62-E66 PolarHBondContact O-N 3Å; E66-S68 PolarHBondContact O-N 2.81Å; E66-A69 PolarHBondContact O-N 2.89Å
67L57.4Low59.5Low121 Ų121117.3 Ų117.363%0.63463%0.631SS**Hα-helixtrans-67.7-18.5173.9-79.4164000114.1I63I63-L67 HydrophobicContact CG2-CD1 3.63Å; I63-L67 HydrophobicContact CG2-CG 4.36Å; I63-L67 VanDerWaalsContact O-CB 3.25Å; I63-L67 WeakPolarHBondContact O-CB 3.26Å; I63-L67 WeakPolarHBondContact O-CD1 3.25Å; I63-L67 WeakPolarHBondContact O-CG 3.22Å; I63-L67 PolarHBondContact O-N 3.47Å
68S56.6Low57.8Low88 Ų88120.3 Ų120.362%0.61564%0.643SS**Hα-helixtrans-97.9-7.1178.5-52.50000112.6K64 N65 E66K64-S68 WeakPolarHBondContact O-CB 3.49Å; K64-S68 PolarHBondContact O-N 3.3Å; K64-S68 VanDerWaalsContact O-N 3.13Å; K64-S68 PolarHBondContact O-OG 3.13Å; N65-S68 PolarHBondContact O-N 3.19Å; N65-S68 VanDerWaalsContact O-N 3.13Å; E66-S68 PolarHBondContact O-N 2.81Å
69A47.6Very low56.7Low60 Ų60124.6 Ų124.650%0.49666%0.657SS.*SBendtrans-88.3114.9171.200000108.2N65 E66 V71N65-A69 PolarHBondContact O-N 3.17Å; N65-A69 VanDerWaalsContact O-N 3.16Å; E66-A69 PolarHBondContact O-N 2.89Å; A69-V71 PolarHBondContact O-N 3.41Å; A69-V71 VanDerWaalsContact O-N 3.12Å
70D43.2Very low55.6Low169 Ų169126.2 Ų126.290%0.90467%0.673SS**  trans-57.5116.1174.4-80.7-40000109.7E72D70-E72 PolarHBondContact O-N 3.25Å
71V48.8Very low54.8Low122 Ų122124.3 Ų124.374%0.73966%0.663SS**  trans-76.9103.1-178.9176.10000108.8A69 T73A69-V71 PolarHBondContact O-N 3.41Å; A69-V71 VanDerWaalsContact O-N 3.12Å; V71-T73 PolarHBondContact O-N 2.64Å
72E43.3Very low54.3Low188 Ų188126.6 Ų126.688%0.87968%0.679SS**  trans-63.4122.3156.3-72.6-172.6163.400108.5D70 E74D70-E72 PolarHBondContact O-N 3.25Å; E72-E74 PolarHBondContact O-N 3.3Å
73T41.2Very low54Low127 Ų127125.4 Ų125.478%0.77967%0.67SS**  trans-73.6107.5-174.544.80000111.6V71V71-T73 PolarHBondContact O-N 2.64Å
74E41.6Very low54Low184 Ų184126.4 Ų126.486%0.8668%0.676SS**  trans-100.7116.1159.2-107.6-173.5169.500109.9E72 V76E72-E74 PolarHBondContact O-N 3.3Å; E74-V76 PolarHBondContact O-N 3.1Å
75V35.9Very low53.9Low139 Ų139122 Ų12284%0.84266%0.661SS**  trans-79.6110.3176.91770000108.2
76V44.9Very low53.7Low116 Ų116123 Ų12370%0.70367%0.671SS**  trans-126.7126.3169.7-178.40000109.4E74E74-V76 PolarHBondContact O-N 3.1Å
77E44.4Very low53.8Low192 Ų192120.4 Ų120.490%0.89766%0.663SS**PPolyproline II helixtrans-51.8136-167.7-68.4179139.100115.8
78E43.5Very low54.5Low143 Ų143123.5 Ų123.567%0.66867%0.672SS**PPolyproline II helixtrans-78.5126.7-171.8-65.4178.9152.300113.4
79K54.8Low55.1Low187 Ų187125.1 Ų125.181%0.81367%0.672SS**PPolyproline II helixtrans-78.5133.2137.9-81.2179177.5176.60106.9L81K79-L81 PolarHBondContact O-N 2.9Å
80P53.7Low56.2Low124 Ų124122.5 Ų122.581%0.80565%0.651SS**  trans-64.2107.6-174.125.1-32.6000109.6
81L59Low57.8Low51 Ų51120.4 Ų120.427%0.26763%0.634SS.*  trans-72.1149.5166-76.8107.5000108.7K79 F83 A97 Q98K79-L81 PolarHBondContact O-N 2.9Å; L81-F83 HydrophobicContact CB-CD2 3.9Å; L81-F83 HydrophobicContact CB-CE2 4.34Å; L81-F83 HydrophobicContact CD2-CD2 4.41Å; L81-F83 HydrophobicContact CD2-CE2 4.21Å; L81-F83 PolarHBondContact O-N 2.86Å; L81-A97 HydrophobicContact CD2-CB 3.36Å; L81-Q98 HydrophobicContact CD1-CG 4.11Å
82P65.8Low59Low123 Ų123120.7 Ų120.780%0.79963%0.625SS**SBendtrans-73.726.8-171.932.4-37.9000114.3
83F68.4Low60.5Low68 Ų68115.3 Ų115.330%0.29860%0.602SS.*SBendtrans-114.7139.1-176.7-51.6-72.2000110.8L81 T85 L93 A94 A97L81-F83 HydrophobicContact CB-CD2 3.9Å; L81-F83 HydrophobicContact CB-CE2 4.34Å; L81-F83 HydrophobicContact CD2-CD2 4.41Å; L81-F83 HydrophobicContact CD2-CE2 4.21Å; L81-F83 PolarHBondContact O-N 2.86Å; F83-T85 PolarHBondContact O-N 2.94Å; F83-L93 HydrophobicContact CB-CB 4.19Å; F83-L93 HydrophobicContact CD1-CB 3.62Å; F83-L93 HydrophobicContact CD1-CD1 3.98Å; F83-L93 HydrophobicContact CD1-CG 4.37Å; F83-L93 HydrophobicContact CD2-CB 4.38Å; F83-L93 HydrophobicContact CE1-CB 4.07Å; F83-L93 HydrophobicContact CE1-CD1 4.46Å; F83-L93 HydrophobicContact CG-CB 3.79Å; F83-A94 HydrophobicContact CD2-CB 4.49Å; F83-A97 HydrophobicContact CD2-CB 4.21Å; F83-A97 HydrophobicContact CE2-CB 3.36Å; F83-A97 HydrophobicContact CZ-CB 4.04Å
84D70.6Confident62.2Low94 Ų94109.7 Ų109.750%0.50357%0.568SS.*  trans-73.490.8175.5176.910.5000111T86 T87 G90D84-T86 VanDerWaalsContact CG-OG1 3.26Å; D84-T86 PolarHBondContact O-N 2.94Å; D84-T86 VanDerWaalsContact OD1-CB 3.3Å; D84-T86 WeakPolarHBondContact OD1-CB 3.47Å; D84-T86 WeakPolarHBondContact OD1-CG2 3.42Å; D84-T86 PolarHBondContact OD1-N 3.36Å; D84-T86 VanDerWaalsContact OD1-N 3.14Å; D84-T86 PolarHBondContact OD1-OG1 2.93Å; D84-T86 PolarHBondContact OD2-OG1 3.49Å; D84-T87 PolarHBondContact O-N 3.3Å; D84-T87 PolarHBondContact O-OG1 3.1Å; D84-G90 VanDerWaalsContact O-CA 3.23Å; D84-G90 WeakPolarHBondContact O-CA 3.35Å
85T72Confident63.8Low53 Ų53105.2 Ų105.233%0.32555%0.55SS.*THydrogen-bonded Turntrans-67.7-1.2-178.657.10000114.2F83 T87 K91 A94F83-T85 PolarHBondContact O-N 2.94Å; T85-T87 VanDerWaalsContact C-N 3.31Å; T85-K91 WeakPolarHBondContact O-CE 3.43Å; T85-K91 WeakPolarHBondContact O-CG 3.26Å; T85-A94 HydrophobicContact CG2-CB 3.99Å
86T68.2Low65.7Low116 Ų116102.9 Ų102.971%0.71253%0.532SS*.THydrogen-bonded Turntrans-74.4-21.7175.6710000112.9D84D84-T86 VanDerWaalsContact CG-OG1 3.26Å; D84-T86 PolarHBondContact O-N 2.94Å; D84-T86 VanDerWaalsContact OD1-CB 3.3Å; D84-T86 WeakPolarHBondContact OD1-CB 3.47Å; D84-T86 WeakPolarHBondContact OD1-CG2 3.42Å; D84-T86 PolarHBondContact OD1-N 3.36Å; D84-T86 VanDerWaalsContact OD1-N 3.14Å; D84-T86 PolarHBondContact OD1-OG1 2.93Å; D84-T86 PolarHBondContact OD2-OG1 3.49Å
87T69.2Low67.1Low64 Ų6498.1 Ų98.139%0.39350%0.504SS..SBendtrans-100.2149.1177.663.40000111.7D84 T85 I89 G90 K91D84-T87 PolarHBondContact O-N 3.3Å; D84-T87 PolarHBondContact O-OG1 3.1Å; T85-T87 VanDerWaalsContact C-N 3.31Å; T87-I89 PolarHBondContact O-N 2.89Å; T87-I89 VanDerWaalsContact O-N 3.11Å; T87-G90 PolarHBondContact O-N 3.04Å; T87-G90 PolarHBondContact OG1-N 3.22Å; T87-K91 PolarHBondContact O-N 3.16Å
88K71.2Confident68.6Low186 Ų18693.6 Ų93.681%0.80948%0.483SS*.Hα-helixtrans-53.8-32.4173-72.8-172.6179.4-177.90112.4K92K88-K92 WeakPolarHBondContact O-CG 3.04Å; K88-K92 PolarHBondContact O-N 3.28Å
89I70.6Confident70.1Confident122 Ų12290 Ų9063%0.62647%0.471SS*.Hα-helixtrans-72-46177.8-68167.5000110.6T87 K92 L93T87-I89 PolarHBondContact O-N 2.89Å; T87-I89 VanDerWaalsContact O-N 3.11Å; I89-K92 WeakPolarHBondContact O-CB 3.3Å; I89-K92 PolarHBondContact O-N 3.09Å; I89-L93 HydrophobicContact CG2-CD1 4.08Å; I89-L93 HydrophobicContact CG2-CG 4.44Å; I89-L93 WeakPolarHBondContact O-CG 3.37Å; I89-L93 PolarHBondContact O-N 3.48Å
90G70.7Confident70.9Confident4 Ų487.3 Ų87.34%0.04146%0.459CS..Hα-helixtrans-70.7-30.8-179.500000113.7D84 T87 L93 A94D84-G90 VanDerWaalsContact O-CA 3.23Å; D84-G90 WeakPolarHBondContact O-CA 3.35Å; T87-G90 PolarHBondContact O-N 3.04Å; T87-G90 PolarHBondContact OG1-N 3.22Å; G90-L93 PolarHBondContact O-N 3.42Å; G90-A94 WeakPolarHBondContact O-CB 3.4Å; G90-A94 PolarHBondContact O-N 3.4Å
91K75.7Confident71.9Confident126 Ų12684.8 Ų84.855%0.54844%0.442SS..Hα-helixtrans-56.5-51.5165.7-68.9-169.2177.5-171.60111.2T85 T87 L93 A94 D95T85-K91 WeakPolarHBondContact O-CE 3.43Å; T85-K91 WeakPolarHBondContact O-CG 3.26Å; T87-K91 PolarHBondContact O-N 3.16Å; K91-L93 VanDerWaalsContact C-N 3.32Å; K91-L93 PolarHBondContact O-N 2.95Å; K91-A94 WeakPolarHBondContact O-CB 3.42Å; K91-A94 PolarHBondContact O-N 3.35Å; K91-A94 VanDerWaalsContact O-N 3.1Å; K91-D95 VanDerWaalsContact O-CG 3.22Å; K91-D95 PolarHBondContact O-N 3.4Å
92K73.9Confident72.4Confident128 Ų12883.6 Ų83.656%0.55744%0.442SS*.Hα-helixtrans-59.2-39.4176.9-73.5-176.6175.9-163.20113.4K88 I89 D95 I96K88-K92 WeakPolarHBondContact O-CG 3.04Å; K88-K92 PolarHBondContact O-N 3.28Å; I89-K92 WeakPolarHBondContact O-CB 3.3Å; I89-K92 PolarHBondContact O-N 3.09Å; K92-D95 PolarHBondContact O-N 2.89Å; K92-I96 WeakPolarHBondContact O-CD1 3.24Å; K92-I96 VanDerWaalsContact O-CG1 3.26Å; K92-I96 WeakPolarHBondContact O-CG1 3.46Å; K92-I96 PolarHBondContact O-N 2.87Å
93L75.2Confident72.5Confident75 Ų7581.7 Ų81.739%0.39343%0.425SS..Hα-helixtrans-67.8-37.4176.7-72172.6000112F83 I89 G90 K91 A97F83-L93 HydrophobicContact CB-CB 4.19Å; F83-L93 HydrophobicContact CD1-CB 3.62Å; F83-L93 HydrophobicContact CD1-CD1 3.98Å; F83-L93 HydrophobicContact CD1-CG 4.37Å; F83-L93 HydrophobicContact CD2-CB 4.38Å; F83-L93 HydrophobicContact CE1-CB 4.07Å; F83-L93 HydrophobicContact CE1-CD1 4.46Å; F83-L93 HydrophobicContact CG-CB 3.79Å; I89-L93 HydrophobicContact CG2-CD1 4.08Å; I89-L93 HydrophobicContact CG2-CG 4.44Å; I89-L93 WeakPolarHBondContact O-CG 3.37Å; I89-L93 PolarHBondContact O-N 3.48Å; G90-L93 PolarHBondContact O-N 3.42Å; K91-L93 VanDerWaalsContact C-N 3.32Å; K91-L93 PolarHBondContact O-N 2.95Å; L93-A97 WeakPolarHBondContact O-CB 3.47Å; L93-A97 PolarHBondContact O-N 2.89Å
94A76.1Confident72.3Confident8 Ų883.8 Ų83.87%0.06644%0.439CS..Hα-helixtrans-63.4-44.3173.800000111.3F83 T85 G90 K91 I96 A97 Q98F83-A94 HydrophobicContact CD2-CB 4.49Å; T85-A94 HydrophobicContact CG2-CB 3.99Å; G90-A94 WeakPolarHBondContact O-CB 3.4Å; G90-A94 PolarHBondContact O-N 3.4Å; K91-A94 WeakPolarHBondContact O-CB 3.42Å; K91-A94 PolarHBondContact O-N 3.35Å; K91-A94 VanDerWaalsContact O-N 3.1Å; A94-I96 PolarHBondContact O-N 3.14Å; A94-A97 PolarHBondContact O-N 2.97Å; A94-Q98 WeakPolarHBondContact O-CG 3.37Å; A94-Q98 PolarHBondContact O-N 3.45Å
95D76.4Confident72.1Confident91 Ų9186 Ų8649%0.48744%0.444SS..Hα-helixtrans-59.5-48.7176.6-59.1-25.3000111.1K91 K92 A97 Q98 V99K91-D95 VanDerWaalsContact O-CG 3.22Å; K91-D95 PolarHBondContact O-N 3.4Å; K92-D95 PolarHBondContact O-N 2.89Å; D95-A97 VanDerWaalsContact C-N 3.31Å; D95-A97 PolarHBondContact O-N 3.38Å; D95-Q98 PolarHBondContact O-N 3.33Å; D95-V99 WeakPolarHBondContact O-CG2 3.4Å; D95-V99 PolarHBondContact O-N 2.93Å
96I75.6Confident71.3Confident90 Ų9091.3 Ų91.346%0.46246%0.458SS..Hα-helixtrans-57.3-46.6176.5-70.1165.8000110.4K92 A94 Q98 V99 F100K92-I96 WeakPolarHBondContact O-CD1 3.24Å; K92-I96 VanDerWaalsContact O-CG1 3.26Å; K92-I96 WeakPolarHBondContact O-CG1 3.46Å; K92-I96 PolarHBondContact O-N 2.87Å; A94-I96 PolarHBondContact O-N 3.14Å; I96-Q98 VanDerWaalsContact C-N 3.34Å; I96-Q98 PolarHBondContact O-N 3.2Å; I96-V99 PolarHBondContact O-N 3.01Å; I96-F100 HydrophobicContact CG2-CD2 3.63Å; I96-F100 HydrophobicContact CG2-CE2 3.64Å; I96-F100 VanDerWaalsContact O-CD2 3.29Å; I96-F100 WeakPolarHBondContact O-CD2 3.48Å; I96-F100 PolarHBondContact O-N 3.17Å
97A73.3Confident70.5Confident15 Ų1588.9 Ų88.912%0.12445%0.446CS..Hα-helixtrans-68.5-31.2-178.700000113.2L81 F83 L93 A94 D95 F100 T101L81-A97 HydrophobicContact CD2-CB 3.36Å; F83-A97 HydrophobicContact CD2-CB 4.21Å; F83-A97 HydrophobicContact CE2-CB 3.36Å; F83-A97 HydrophobicContact CZ-CB 4.04Å; L93-A97 WeakPolarHBondContact O-CB 3.47Å; L93-A97 PolarHBondContact O-N 2.89Å; A94-A97 PolarHBondContact O-N 2.97Å; D95-A97 VanDerWaalsContact C-N 3.31Å; D95-A97 PolarHBondContact O-N 3.38Å; A97-F100 PolarHBondContact O-N 3.22Å; A97-T101 WeakPolarHBondContact O-CB 3.48Å; A97-T101 WeakPolarHBondContact O-CG2 3.36Å; A97-T101 PolarHBondContact O-N 2.75Å; A97-T101 PolarHBondContact O-OG1 2.96Å
98Q75.7Confident69.6Low98 Ų9893.5 Ų93.546%0.45846%0.46SS..Hα-helixtrans-63.1-44.1169.6-76.2-173.14.400111.5L81 A94 D95 I96 F100 T101 G102L81-Q98 HydrophobicContact CD1-CG 4.11Å; A94-Q98 WeakPolarHBondContact O-CG 3.37Å; A94-Q98 PolarHBondContact O-N 3.45Å; D95-Q98 PolarHBondContact O-N 3.33Å; I96-Q98 VanDerWaalsContact C-N 3.34Å; I96-Q98 PolarHBondContact O-N 3.2Å; Q98-F100 PolarHBondContact O-N 3.28Å; Q98-T101 WeakPolarHBondContact CA-OG1 3.45Å; Q98-T101 PolarHBondContact O-N 3.45Å; Q98-T101 PolarHBondContact O-OG1 3.32Å; Q98-G102 PolarHBondContact O-N 3.29Å
99V76.8Confident68.7Low66 Ų6692.5 Ų92.540%0.446%0.458SS..Hα-helixtrans-60.5-46175175.90000111.1D95 I96 G102 N103D95-V99 WeakPolarHBondContact O-CG2 3.4Å; D95-V99 PolarHBondContact O-N 2.93Å; I96-V99 PolarHBondContact O-N 3.01Å; V99-G102 PolarHBondContact O-N 3.06Å; V99-N103 WeakPolarHBondContact O-CB 3.43Å; V99-N103 VanDerWaalsContact O-CG 3.3Å; V99-N103 PolarHBondContact O-N 3.38Å; V99-N103 PolarHBondContact O-ND2 2.88Å
100F70.9Confident67.4Low131 Ų13192 Ų9258%0.57546%0.462SS*.Hα-helixtrans-61.3-46177.2-89.9-78.6000112.5I96 A97 Q98 N103 L104I96-F100 HydrophobicContact CG2-CD2 3.63Å; I96-F100 HydrophobicContact CG2-CE2 3.64Å; I96-F100 VanDerWaalsContact O-CD2 3.29Å; I96-F100 WeakPolarHBondContact O-CD2 3.48Å; I96-F100 PolarHBondContact O-N 3.17Å; A97-F100 PolarHBondContact O-N 3.22Å; Q98-F100 PolarHBondContact O-N 3.28Å; F100-N103 PolarHBondContact O-N 3.11Å; F100-L104 WeakPolarHBondContact O-CB 3.49Å; F100-L104 PolarHBondContact O-N 2.99Å
101T75.1Confident65.8Low72 Ų7296 Ų9644%0.44249%0.488SS..Hα-helixtrans-68.8-35.8179.549.20000112.4A97 Q98 L104 K105A97-T101 WeakPolarHBondContact O-CB 3.48Å; A97-T101 WeakPolarHBondContact O-CG2 3.36Å; A97-T101 PolarHBondContact O-N 2.75Å; A97-T101 PolarHBondContact O-OG1 2.96Å; Q98-T101 WeakPolarHBondContact CA-OG1 3.45Å; Q98-T101 PolarHBondContact O-N 3.45Å; Q98-T101 PolarHBondContact O-OG1 3.32Å; T101-L104 PolarHBondContact O-N 3.31Å; T101-K105 WeakPolarHBondContact O-CG 3.43Å; T101-K105 PolarHBondContact O-N 2.85Å; T101-K105 VanDerWaalsContact O-N 3.09Å
102G68.6Low63.9Low26 Ų2695.8 Ų95.827%0.26850%0.5SS..Hα-helixtrans-62.5-41.3172.100000112.7Q98 V99 K105 R106Q98-G102 PolarHBondContact O-N 3.29Å; V99-G102 PolarHBondContact O-N 3.06Å; G102-K105 PolarHBondContact O-N 2.87Å; G102-R106 PolarHBondContact O-N 3.5Å; G102-R106 VanDerWaalsContact O-N 3.14Å
103N68.3Low61.9Low83 Ų8393.9 Ų93.944%0.44451%0.508SS..Hα-helixtrans-71.3-35.1176.9-71-18.8000112.5V99 F100 K105 R106 S107V99-N103 WeakPolarHBondContact O-CB 3.43Å; V99-N103 VanDerWaalsContact O-CG 3.3Å; V99-N103 PolarHBondContact O-N 3.38Å; V99-N103 PolarHBondContact O-ND2 2.88Å; F100-N103 PolarHBondContact O-N 3.11Å; N103-K105 VanDerWaalsContact C-N 3.34Å; N103-R106 PolarHBondContact O-N 3.05Å; N103-R106 PolarHBondContact OD1-NH2 3.26Å; N103-S107 PolarHBondContact O-N 3.34Å
104L63.9Low60.1Low111 Ų11198.6 Ų98.658%0.58153%0.532SS*.Hα-helixtrans-68.4-31.2175.8-132.188.7000113.1F100 T101 S107F100-L104 WeakPolarHBondContact O-CB 3.49Å; F100-L104 PolarHBondContact O-N 2.99Å; T101-L104 PolarHBondContact O-N 3.31Å; L104-S107 PolarHBondContact O-OG 3.01Å
105K67.7Low58.2Low140 Ų140107.2 Ų107.261%0.60957%0.571SS**Hα-helixtrans-74.7-42.3174.9-73.1178.1-177.6178.20111.4T101 G102 N103 S107 K108 E109T101-K105 WeakPolarHBondContact O-CG 3.43Å; T101-K105 PolarHBondContact O-N 2.85Å; T101-K105 VanDerWaalsContact O-N 3.09Å; G102-K105 PolarHBondContact O-N 2.87Å; N103-K105 VanDerWaalsContact C-N 3.34Å; K105-S107 VanDerWaalsContact C-N 3.26Å; K105-S107 PolarHBondContact O-N 2.91Å; K105-K108 PolarHBondContact O-N 3.43Å; K105-E109 PolarHBondContact O-N 3.09Å
106R54.1Low56.2Low165 Ų165110.2 Ų110.262%0.62359%0.587SS**Hα-helixtrans-60.1-32.5176.5-81.7-172.3-93.2-171.3-5.9113.4G102 N103 T110G102-R106 PolarHBondContact O-N 3.5Å; G102-R106 VanDerWaalsContact O-N 3.14Å; N103-R106 PolarHBondContact O-N 3.05Å; N103-R106 PolarHBondContact OD1-NH2 3.26Å; R106-T110 PolarHBondContact O-N 3.21Å; R106-T110 PolarHBondContact O-OG1 3.46Å
107S50.9Low54.4Low65 Ų65117.6 Ų117.646%0.45561%0.609SS.*Hα-helixtrans-73.9-23.2175.466.40000114N103 L104 K105 S111N103-S107 PolarHBondContact O-N 3.34Å; L104-S107 PolarHBondContact O-OG 3.01Å; K105-S107 VanDerWaalsContact C-N 3.26Å; K105-S107 PolarHBondContact O-N 2.91Å; S107-S111 PolarHBondContact O-OG 3.09Å; S107-S111 VanDerWaalsContact O-OG 3.09Å
108K51.6Low52.7Low162 Ų162123.8 Ų123.870%0.70465%0.645SS**Hα-helixtrans-80.9-31174.9-72.5-173.6176.6-172.80113K105K105-K108 PolarHBondContact O-N 3.43Å
109E51.5Low50.8Low164 Ų164128.3 Ų128.377%0.76666%0.663SS**Hα-helixtrans-82.3-15.6-179.5-72.7173.7179.300113.7K105K105-E109 PolarHBondContact O-N 3.09Å
110T43.9Very low48.9Very low113 Ų113130.7 Ų130.769%0.69368%0.683SS**THydrogen-bonded Turntrans-97.811178.639.80000114.3R106 P112R106-T110 PolarHBondContact O-N 3.21Å; R106-T110 PolarHBondContact O-OG1 3.46Å; T110-P112 WeakPolarHBondContact O-CD 3.34Å
111S36Very low47.1Very low86 Ų86130.8 Ų130.860%0.60169%0.694SS**  trans-114.191.4178.5-53.50000111.1S107 A113S107-S111 PolarHBondContact O-OG 3.09Å; S107-S111 VanDerWaalsContact O-OG 3.09Å; S111-A113 PolarHBondContact O-N 2.76Å
112P36.9Very low45.1Very low122 Ų122133.7 Ų133.779%0.79271%0.712SS**  trans-74.3125.2173.130.1-30.6000110.4T110T110-P112 WeakPolarHBondContact O-CD 3.34Å
113A31.5Very low43.6Very low89 Ų89141.8 Ų141.874%0.73674%0.743SS**  trans61.69014600000119S111S111-A113 PolarHBondContact O-N 2.76Å
114I37.8Very low42.1Very low173 Ų173147.1 Ų147.189%0.88776%0.762SS**  trans-140.256.9138.9-45.6176.4000108.5
115E36.5Very low40.9Very low190 Ų190151 Ų15189%0.88877%0.774SS**  trans-110.371.7162.1-81.8-171.8161.700107.7
116D34.5Very low39.4Very low154 Ų154152.3 Ų152.382%0.82478%0.783SS**  trans-170.389.5164.8-106.5-19.2000109.2
117R36.8Very low38.6Very low244 Ų244153.2 Ų153.292%0.92180%0.799SS**  trans-176.35.1156-106.6167-172-157.61.9116K119R117-K119 VanDerWaalsContact C-N 3.34Å; R117-K119 PolarHBondContact O-N 3.47Å; R117-K119 VanDerWaalsContact O-N 3.07Å
118V37.3Very low37.8Very low145 Ų145153.2 Ų153.288%0.87981%0.809SS**  trans-83.781.2170.5-173.70000109.1
119K37.2Very low37Very low193 Ų193155.8 Ų155.884%0.83982%0.82SS**  trans-171.6127.9157.2-102.7155.3-169.7-1770109.8R117R117-K119 VanDerWaalsContact C-N 3.34Å; R117-K119 PolarHBondContact O-N 3.47Å; R117-K119 VanDerWaalsContact O-N 3.07Å
120S35.1Very low36.3Very low116 Ų116153.2 Ų153.281%0.81182%0.82SS**  trans77.2130.3172.785.70000114
121T34.4Very low35.8Very low133 Ų133154.8 Ų154.882%0.81683%0.83SS**  cis-151.513419.237.60000110.5
122T33.1Very low35.9Very low133 Ų133161.7 Ų161.782%0.81684%0.843SS**  trans-65.7124.8165.9-50.30000110.1
123E36.5Very low35.8Very low197 Ų197164.3 Ų164.392%0.92185%0.845SS**  trans-159.7118.1147.9-114.3172.1-159.600111.2
124K35.9Very low36.2Very low194 Ų194166.8 Ų166.884%0.84385%0.85SS**  trans-88.7138172.2-70.8173.9171.6176.80108.6
125K39.1Very low36.6Very low192 Ų192166.7 Ų166.784%0.83584%0.843SS**  trans-178.7109.2138.8-101.6163.5-176.8-177.20109.1
126E36.2Very low36.7Very low169 Ų169163.4 Ų163.479%0.7984%0.838SS**  70.6104.5105.3-75.5-167164.600113.7
127L38.1Very low37.2Very low184 Ų184163.6 Ų163.696%0.96384%0.838SS**  trans-16685.6141.8-103.7140.8000109.1
128G34.3Very low37.2Very low65 Ų65162.6 Ų162.667%0.6783%0.834SS**  trans-80.2154163.600000111.3
129K35.5Very low37.8Very low215 Ų215162.5 Ų162.594%0.93583%0.829SS**  trans84.498159-50.5176.1-174.51800116.6
130S36Very low38.2Very low110 Ų110161 Ų16177%0.76983%0.825SS**  trans-154.299.4138.4178.20000110.9
131T32.2Very low38.6Very low146 Ų146166.5 Ų166.590%0.89683%0.828SS**  trans-65.9118.7163.533.90000110.4
132R39.3Very low39.3Very low232 Ų232164.3 Ų164.388%0.87582%0.823SS**  trans-132.7116.1162-121178.2-175.3166.42.2110.1
133E35.3Very low40Very low177 Ų177163.8 Ų163.883%0.82782%0.82SS**  trans-58.3128.7177.3-60.1-178.8160.900111.4
134V38.7Very low40.3Very low140 Ų140165.1 Ų165.185%0.84882%0.816SS**  trans-103.4107.5170.7-179.90000108
135K45.7Very low40.9Very low171 Ų171162.2 Ų162.274%0.74381%0.809SS**  trans-77.1140.9169.4-71.2-177.5179.1177.40110.2I137K135-I137 PolarHBondContact O-N 3.33Å
136P40.2Very low41.5Very low121 Ų121163 Ų16379%0.78681%0.812SS**  trans-80121.9-177.130.7-31.5000111.4R138P136-R138 PolarHBondContact O-N 2.89Å; P136-R138 VanDerWaalsContact O-N 3.14Å
137I44.4Very low42.1Very low159 Ų159163.8 Ų163.882%0.81581%0.813SS**  trans-78.591.8171.5-61169000108.2K135K135-I137 PolarHBondContact O-N 3.33Å
138R36.7Very low42.6Very low222 Ų222159.6 Ų159.684%0.83880%0.799SS**  trans-121.9104.4169.5-159.3175.9-169.8162.82.5105.3P136P136-R138 PolarHBondContact O-N 2.89Å; P136-R138 VanDerWaalsContact O-N 3.14Å
139D49.1Very low43.2Very low144 Ų144159.4 Ų159.477%0.7780%0.797SS**SBendtrans162.2-2.1153.4-80.2-12.6000116.6R141D139-R141 PolarHBondContact O-N 3.49Å
140Q47.2Very low44.1Very low162 Ų162157.9 Ų157.976%0.75779%0.791SS**THydrogen-bonded Turntrans-82.1-1.7179.7-73.6-171.812.300116.4
141R42.7Very low44.6Very low231 Ų231160 Ų16087%0.87279%0.786SS**THydrogen-bonded Turntrans-87.2-14.2-177.5-83.6-174.2176.3-171.9-0.4115D139D139-R141 PolarHBondContact O-N 3.49Å
142A48.7Very low45.4Very low86 Ų86156 Ų15671%0.71177%0.767SS**SBendtrans-88-19.8-174.100000114.6
143T47.2Very low46Very low122 Ų122150.4 Ų150.475%0.74876%0.755SS**SBendtrans-95.4-6-173.249.40000115
144R44.5Very low46.5Very low225 Ų225146.6 Ų146.685%0.84974%0.74SS**SBendtrans-93.1-6.1-176.6-96.4-178.4171.7-177-1.8116.1
145I48.2Very low47.2Very low133 Ų133144.3 Ų144.368%0.68273%0.726SS**G310 helixtrans-88.4-3.6-168.2-59.6177.1000113.7
146K51.3Low47.3Very low208 Ų208141.2 Ų141.290%0.90472%0.717SS**G310 helixtrans-93.918.2-177-69.4-170.6176.6-177.70116.6
147K50Low47.7Very low187 Ų187138.6 Ų138.681%0.81370%0.701SS**G310 helixtrans-125.317.8-178.9-69.9-169.4179.6-178.10115.9G149K147-G149 PolarHBondContact O-N 2.9Å
148S48.2Very low47.9Very low96 Ų96136.7 Ų136.767%0.67169%0.692SS**THydrogen-bonded Turntrans-83.5-3.4-17454.10000116.2K150S148-K150 PolarHBondContact O-N 3.33Å
149G45.8Very low48.5Very low61 Ų61134.6 Ų134.663%0.62969%0.689SS**THydrogen-bonded Turntrans-76-17.5178.300000115.6K147K147-G149 PolarHBondContact O-N 2.9Å
150K54.4Low48.5Very low183 Ų183133.7 Ų133.780%0.79668%0.684SS**THydrogen-bonded Turntrans-91-14.6-175.8-67.4-171.5178.5-172.10114.5S148S148-K150 PolarHBondContact O-N 3.33Å
151F46.9Very low48.5Very low154 Ų154129.8 Ų129.868%0.67567%0.672SS**Hα-helixtrans-82.4-29.6-179.9-102.9-88.8000113.1N153 L154 V155F151-N153 VanDerWaalsContact C-N 3.33Å; F151-N153 PolarHBondContact O-N 2.9Å; F151-L154 PolarHBondContact O-N 3.33Å; F151-V155 PolarHBondContact O-N 3.06Å
152A48.3Very low48.5Very low61 Ų61127.8 Ų127.850%0.50467%0.669SS.*Hα-helixtrans-65.1-35.4178.800000112.4I156A152-I156 WeakPolarHBondContact O-CG1 3.37Å
153N52.7Low48.4Very low115 Ų115132.6 Ų132.662%0.61568%0.677SS**Hα-helixtrans-75.7-23.1177.5-74.3-5.1000113.5F151 S157F151-N153 VanDerWaalsContact C-N 3.33Å; F151-N153 PolarHBondContact O-N 2.9Å; N153-S157 PolarHBondContact O-N 2.91Å; N153-S157 VanDerWaalsContact O-N 3.16Å; N153-S157 PolarHBondContact O-OG 3.47Å
154L46.9Very low48.5Very low97 Ų97133.1 Ų133.151%0.50867%0.674SS.*Hα-helixtrans-74.6-33.4178.6-157.575.1000111.8F151 I156 S157 L158F151-L154 PolarHBondContact O-N 3.33Å; L154-I156 VanDerWaalsContact C-N 3.34Å; L154-S157 WeakPolarHBondContact CA-OG 3.36Å; L154-S157 PolarHBondContact O-OG 3.46Å; L154-L158 PolarHBondContact O-N 2.9Å
155V51.4Low48.6Very low92 Ų92127.3 Ų127.356%0.55867%0.666SS**Hα-helixtrans-74.8-25.7178.2-179.40000111.8F151F151-V155 PolarHBondContact O-N 3.06Å
156I48.6Very low48.6Very low107 Ų107127.2 Ų127.255%0.54967%0.671SS.*Hα-helixtrans-81-39.8175.8-59.5170.8000110.6A152 L154 L158 K159A152-I156 WeakPolarHBondContact O-CG1 3.37Å; L154-I156 VanDerWaalsContact C-N 3.34Å; I156-L158 VanDerWaalsContact C-N 3.29Å; I156-L158 PolarHBondContact O-N 3.04Å; I156-K159 PolarHBondContact O-N 3.4Å
157S49.7Very low48.5Very low66 Ų66123 Ų12346%0.46266%0.657SS.*Hα-helixtrans-71.6-16.7179.637.90000114.8N153 L154N153-S157 PolarHBondContact O-N 2.91Å; N153-S157 VanDerWaalsContact O-N 3.16Å; N153-S157 PolarHBondContact O-OG 3.47Å; L154-S157 WeakPolarHBondContact CA-OG 3.36Å; L154-S157 PolarHBondContact O-OG 3.46Å
158L48.4Very low48.5Very low119 Ų119119.4 Ų119.462%0.62364%0.643SS**THydrogen-bonded Turntrans-79.9-15172.1-93.3153.1000114.1L154 I156 T161L154-L158 PolarHBondContact O-N 2.9Å; I156-L158 VanDerWaalsContact C-N 3.29Å; I156-L158 PolarHBondContact O-N 3.04Å; L158-T161 PolarHBondContact O-OG1 2.94Å
159K49.4Very low48.8Very low178 Ų178120 Ų12077%0.77465%0.645SS**THydrogen-bonded Turntrans-85.9-18.2177.6-74.4-174.7175.4-175.10113.4I156I156-K159 PolarHBondContact O-N 3.4Å
160D48.8Very low49.3Very low125 Ų125124 Ų12467%0.66865%0.652SS**SBendtrans-102.3-2.6-175.5-70.1-28.4000114.3K162D160-K162 VanDerWaalsContact C-N 3.29Å; D160-K162 PolarHBondContact O-N 2.97Å
161T46.3Very low49.1Very low80 Ų80121.5 Ų121.549%0.49164%0.643SS.*  trans-76.986.2170.750.60000109.9L158 Q163L158-T161 PolarHBondContact O-OG1 2.94Å; T161-Q163 PolarHBondContact O-N 3.37Å
162K44Very low49.4Very low189 Ų189119.9 Ų119.982%0.82264%0.64SS**  trans-37.8124.6162.7-66.2175.1179178.30110.6D160D160-K162 VanDerWaalsContact C-N 3.29Å; D160-K162 PolarHBondContact O-N 2.97Å
163Q46.4Very low49.5Very low187 Ų187122.1 Ų122.187%0.87465%0.649SS**  trans61.159.4155.9-53.4178.919.600116.3T161T161-Q163 PolarHBondContact O-N 3.37Å
164L49.4Very low49.6Very low132 Ų132125.6 Ų125.669%0.69166%0.662SS**  trans-79.5128.4154-90.5144.8000108.2V166L164-V166 PolarHBondContact O-N 3.5Å
165P46.2Very low50.4Low104 Ų104128.5 Ų128.568%0.67568%0.677SS**  trans-58.1127.3176.624.8-31.6000108I167P165-I167 PolarHBondContact O-N 3.38Å
166V47.3Very low50.6Low131 Ų131129.9 Ų129.979%0.79469%0.688SS**  trans-61.394.6170176.20000106.3L164 Q168L164-V166 PolarHBondContact O-N 3.5Å; V166-Q168 PolarHBondContact O-N 3.34Å
167I49.4Very low51.3Low120 Ų120129.3 Ų129.362%0.61568%0.683SS**  trans-63.7106.9168.9-60.8174.5000104.6P165P165-I167 PolarHBondContact O-N 3.38Å
168Q50.5Low52.4Low111 Ų111131.3 Ų131.352%0.51969%0.685SS.*  trans-58128.9171.3-65-17535.400106.8V166 N170 Q171V166-Q168 PolarHBondContact O-N 3.34Å; Q168-N170 PolarHBondContact O-N 2.9Å; Q168-Q171 HydrophobicContact CB-CG 4.43Å; Q168-Q171 PolarHBondContact O-N 2.87Å
169P54Low53.9Low107 Ų107131.8 Ų131.870%0.69568%0.684SS**G310 helixtrans-57.3-14.6-176.520.9-31.7000113.3
170N55.5Low55.4Low145 Ų145129.9 Ų129.978%0.77568%0.678SS**G310 helixtrans-88.44.9179.9-58.6-12.1000114.5Q168Q168-N170 PolarHBondContact O-N 2.9Å
171Q50.1Low57.1Low131 Ų131128.2 Ų128.261%0.61267%0.669SS**G310 helixtrans-113.34.3-179-69.3-175.70.700114.5Q168 P173Q168-Q171 HydrophobicContact CB-CG 4.43Å; Q168-Q171 PolarHBondContact O-N 2.87Å; Q171-P173 VanDerWaalsContact O-CD 3.32Å; Q171-P173 WeakPolarHBondContact O-CD 3.3Å
172I53.5Low58.7Low120 Ų120132.1 Ų132.162%0.61567%0.674SS**SBendtrans-72.3119.5171.3-57.6173.2000106.7E174I172-E174 PolarHBondContact O-N 3.22Å; I172-E174 VanDerWaalsContact O-N 3.12Å
173P51Low60.8Low108 Ų108129.3 Ų129.370%0.70166%0.662SS**  trans-57.7121.7170.9-16.829.5000107.5Q171 L175Q171-P173 VanDerWaalsContact O-CD 3.32Å; Q171-P173 WeakPolarHBondContact O-CD 3.3Å; P173-L175 PolarHBondContact O-N 3.3Å
174E55.8Low62.7Low189 Ų189123 Ų12388%0.88364%0.642SS**  trans-54.7108.8168.3-78.4-174.8159.100106.9I172I172-E174 PolarHBondContact O-N 3.22Å; I172-E174 VanDerWaalsContact O-N 3.12Å
175L62Low64.3Low158 Ų158124.5 Ų124.583%0.82764%0.639SS**  trans-54.3128.9167.8-82.7159000106P173 E177P173-L175 PolarHBondContact O-N 3.3Å; L175-E177 PolarHBondContact O-N 3.01Å
176P56.8Low66.1Low120 Ų120123 Ų12378%0.77963%0.631SS**  trans-54.9112.5-18017-26.5000108H178P176-H178 PolarHBondContact O-N 3.34Å
177E63Low68.1Low96 Ų96123.9 Ų123.945%0.44962%0.621SS.*  trans-61.7110.9-178.7-160.3179.3-149.700106.3L175 E179 R185L175-E177 PolarHBondContact O-N 3.01Å; E177-E179 PolarHBondContact O-N 3.09Å; E177-R185 IonicContact OE1-CZ 3.85Å; E177-R185 IonicContact OE1-NE 2.88Å; E177-R185 IonicContact OE1-NH1 3.2Å; E177-R185 PolarHBondContact OE1-NH1 2.93Å
178H73.1Confident70.1Confident107 Ų107123 Ų12350%0.49562%0.617SS.*  trans-60.4131.2-177.3-166.2-100.9000107.4P176 Q180 D181 R182P176-H178 PolarHBondContact O-N 3.34Å; H178-Q180 VanDerWaalsContact CE1-CD 3.41Å; H178-Q180 PolarHBondContact CE1-OE1 2.98Å; H178-Q180 VanDerWaalsContact CE1-OE1 3.24Å; H178-Q180 WeakPolarHBondContact ND1-CB 3.49Å; H178-Q180 PolarHBondContact ND1-OE1 2.92Å; H178-Q180 PolarHBondContact O-N 3.49Å; H178-D181 WeakPolarHBondContact O-CA 3.36Å; H178-D181 WeakPolarHBondContact O-CB 3.35Å; H178-D181 PolarHBondContact O-N 2.92Å; H178-R182 PolarHBondContact O-N 3.42Å
179E79Confident72Confident129 Ų129125.5 Ų125.560%0.60363%0.626SS**Hα-helixtrans-60.3-24.5-171-167.9166.2146.100112.6E177 K183E177-E179 PolarHBondContact O-N 3.09Å; E179-K183 HydrophobicContact CG-CD 4.44Å; E179-K183 WeakPolarHBondContact O-CB 3.33Å; E179-K183 WeakPolarHBondContact O-CG 3.49Å; E179-K183 PolarHBondContact O-N 3.15Å; E179-K183 VanDerWaalsContact OE1-CE 3.32Å; E179-K183 WeakPolarHBondContact OE1-CE 3.49Å; E179-K183 IonicContact OE1-NZ 2.75Å; E179-K183 PolarHBondContact OE1-NZ 3.24Å
180Q82.1Confident73.7Confident138 Ų138126.5 Ų126.565%0.64562%0.621SS**Hα-helixtrans-65-40.1170-62.5178.2-22.100112.9H178 K183 A184H178-Q180 VanDerWaalsContact CE1-CD 3.41Å; H178-Q180 PolarHBondContact CE1-OE1 2.98Å; H178-Q180 VanDerWaalsContact CE1-OE1 3.24Å; H178-Q180 WeakPolarHBondContact ND1-CB 3.49Å; H178-Q180 PolarHBondContact ND1-OE1 2.92Å; H178-Q180 PolarHBondContact O-N 3.49Å; Q180-K183 PolarHBondContact O-N 2.95Å; Q180-A184 VanDerWaalsContact O-CB 3.28Å; Q180-A184 WeakPolarHBondContact O-CB 3.48Å; Q180-A184 PolarHBondContact O-N 2.93Å
181D83.2Confident75.4Confident91 Ų91124.3 Ų124.349%0.48761%0.605SS.*Hα-helixtrans-67.5-40.4178.1-70-15000110.7H178 A184 R185H178-D181 WeakPolarHBondContact O-CA 3.36Å; H178-D181 WeakPolarHBondContact O-CB 3.35Å; H178-D181 PolarHBondContact O-N 2.92Å; D181-A184 PolarHBondContact O-N 3.49Å; D181-R185 WeakPolarHBondContact O-CB 3.38Å; D181-R185 VanDerWaalsContact O-CG 3.27Å; D181-R185 WeakPolarHBondContact O-CG 3.5Å; D181-R185 PolarHBondContact O-N 2.9Å
182R81.4Confident77.3Confident161 Ų161122.2 Ų122.261%0.60860%0.598SS**Hα-helixtrans-63.2-44175.3-168.2174.1178.21771.9111.4H178 R185 S186H178-R182 PolarHBondContact O-N 3.42Å; R182-R185 PolarHBondContact O-N 3.21Å; R182-S186 PolarHBondContact O-N 2.94Å; R182-S186 PolarHBondContact O-OG 3.37Å
183K86.7Confident78.8Confident130 Ų130124.1 Ų124.157%0.56560%0.602SS**Hα-helixtrans-63.8-43174.6-74.6173.2-175.5162.50111.9E179 Q180 S186 Y187E179-K183 HydrophobicContact CG-CD 4.44Å; E179-K183 WeakPolarHBondContact O-CB 3.33Å; E179-K183 WeakPolarHBondContact O-CG 3.49Å; E179-K183 PolarHBondContact O-N 3.15Å; E179-K183 VanDerWaalsContact OE1-CE 3.32Å; E179-K183 WeakPolarHBondContact OE1-CE 3.49Å; E179-K183 IonicContact OE1-NZ 2.75Å; E179-K183 PolarHBondContact OE1-NZ 3.24Å; Q180-K183 PolarHBondContact O-N 2.95Å; K183-S186 PolarHBondContact O-N 3.42Å; K183-Y187 WeakPolarHBondContact O-CB 3.42Å; K183-Y187 PolarHBondContact O-N 2.88Å
184A86Confident80.7Confident55 Ų55123.6 Ų123.646%0.45559%0.593SS.*Hα-helixtrans-64.6-41.5177.900000112.3Q180 D181 L188Q180-A184 VanDerWaalsContact O-CB 3.28Å; Q180-A184 WeakPolarHBondContact O-CB 3.48Å; Q180-A184 PolarHBondContact O-N 2.93Å; D181-A184 PolarHBondContact O-N 3.49Å; A184-L188 VanDerWaalsContact O-CB 3.31Å; A184-L188 WeakPolarHBondContact O-CB 3.25Å; A184-L188 PolarHBondContact O-N 3.31Å
185R83.6Confident82.3Confident164 Ų164118.4 Ų118.462%0.61957%0.571SS**Hα-helixtrans-64.2-45.5175.4-76.3174175-166-5112.1E177 D181 R182 L188 K189E177-R185 IonicContact OE1-CZ 3.85Å; E177-R185 IonicContact OE1-NE 2.88Å; E177-R185 IonicContact OE1-NH1 3.2Å; E177-R185 PolarHBondContact OE1-NH1 2.93Å; D181-R185 WeakPolarHBondContact O-CB 3.38Å; D181-R185 VanDerWaalsContact O-CG 3.27Å; D181-R185 WeakPolarHBondContact O-CG 3.5Å; D181-R185 PolarHBondContact O-N 2.9Å; R182-R185 PolarHBondContact O-N 3.21Å; R185-L188 PolarHBondContact O-N 2.78Å; R185-K189 VanDerWaalsContact O-CB 3.29Å; R185-K189 WeakPolarHBondContact O-CB 3.31Å; R185-K189 PolarHBondContact O-N 3.17Å
186S84.8Confident83.5Confident72 Ų72116.7 Ų116.750%0.50356%0.562SS.*Hα-helixtrans-60.9-47.8175.9-72.50000111.7R182 K183 L188 K189 E190R182-S186 PolarHBondContact O-N 2.94Å; R182-S186 PolarHBondContact O-OG 3.37Å; K183-S186 PolarHBondContact O-N 3.42Å; S186-L188 PolarHBondContact O-N 3.25Å; S186-K189 PolarHBondContact O-N 3.01Å; S186-E190 WeakPolarHBondContact O-CB 3.4Å; S186-E190 PolarHBondContact O-N 3.26Å
187Y88.9Confident85.1Confident150 Ų150112.4 Ų112.459%0.58854%0.54SS*.Hα-helixtrans-60.6-43.7177.3177.3-102.5000112.3K183 E190 K191K183-Y187 WeakPolarHBondContact O-CB 3.42Å; K183-Y187 PolarHBondContact O-N 2.88Å; Y187-E190 PolarHBondContact O-N 3.47Å; Y187-K191 HydrophobicContact CE1-CD 4.38Å; Y187-K191 VanDerWaalsContact O-CB 3.29Å; Y187-K191 WeakPolarHBondContact O-CB 3.48Å; Y187-K191 PolarHBondContact O-N 2.97Å
188L91Very high86.3Confident101 Ų101112.3 Ų112.353%0.52954%0.54SS..Hα-helixtrans-66-38.6177.7-174.564.4000111.8A184 R185 S186 L192A184-L188 VanDerWaalsContact O-CB 3.31Å; A184-L188 WeakPolarHBondContact O-CB 3.25Å; A184-L188 PolarHBondContact O-N 3.31Å; R185-L188 PolarHBondContact O-N 2.78Å; S186-L188 PolarHBondContact O-N 3.25Å; L188-L192 HydrophobicContact CD1-CD1 4.34Å; L188-L192 HydrophobicContact CD1-CG 4.34Å; L188-L192 HydrophobicContact CG-CD1 4Å; L188-L192 HydrophobicContact CG-CG 4.42Å; L188-L192 VanDerWaalsContact O-CB 3.28Å; L188-L192 WeakPolarHBondContact O-CB 3.49Å; L188-L192 WeakPolarHBondContact O-CG 3.4Å; L188-L192 PolarHBondContact O-N 3.34Å
189K89.7Confident87Confident164 Ų164109.6 Ų109.671%0.71354%0.536SS*.Hα-helixtrans-65.9-44.5177.8-174.2-178.9179.5-1760111.7R185 S186 F193R185-K189 VanDerWaalsContact O-CB 3.29Å; R185-K189 WeakPolarHBondContact O-CB 3.31Å; R185-K189 PolarHBondContact O-N 3.17Å; S186-K189 PolarHBondContact O-N 3.01Å; K189-F193 WeakPolarHBondContact O-CB 3.3Å; K189-F193 PolarHBondContact O-N 2.96Å
190E89.7Confident87.3Confident127 Ų127106.1 Ų106.159%0.59353%0.525SS*.Hα-helixtrans-62.6-50.4176.1-174.4173.3-164.300110.6S186 Y187 L192 F193 D194S186-E190 WeakPolarHBondContact O-CB 3.4Å; S186-E190 PolarHBondContact O-N 3.26Å; Y187-E190 PolarHBondContact O-N 3.47Å; E190-L192 PolarHBondContact O-N 3.44Å; E190-F193 WeakPolarHBondContact O-CB 3.49Å; E190-F193 PolarHBondContact O-N 3.46Å; E190-F193 VanDerWaalsContact O-N 3.08Å; E190-D194 PolarHBondContact O-N 2.95Å
191K92Very high87.7Confident100 Ų100106.7 Ų106.744%0.43553%0.526SS..Hα-helixtrans-60.1-42.6177.9-171.7175-179.6-179.90113Y187 F193 D194 D195Y187-K191 HydrophobicContact CE1-CD 4.38Å; Y187-K191 VanDerWaalsContact O-CB 3.29Å; Y187-K191 WeakPolarHBondContact O-CB 3.48Å; Y187-K191 PolarHBondContact O-N 2.97Å; K191-F193 VanDerWaalsContact C-N 3.32Å; K191-F193 PolarHBondContact O-N 3.5Å; K191-D194 PolarHBondContact O-N 2.93Å; K191-D195 WeakPolarHBondContact O-CB 3.48Å; K191-D195 VanDerWaalsContact O-CG 3.28Å; K191-D195 PolarHBondContact O-N 3.3Å
192L89.9Confident88Confident87 Ų87108.4 Ų108.446%0.45553%0.526SS..Hα-helixtrans-64.7-37.9175.8-76.8171.8000111.8L188 E190 L196L188-L192 HydrophobicContact CD1-CD1 4.34Å; L188-L192 HydrophobicContact CD1-CG 4.34Å; L188-L192 HydrophobicContact CG-CD1 4Å; L188-L192 HydrophobicContact CG-CG 4.42Å; L188-L192 VanDerWaalsContact O-CB 3.28Å; L188-L192 WeakPolarHBondContact O-CB 3.49Å; L188-L192 WeakPolarHBondContact O-CG 3.4Å; L188-L192 PolarHBondContact O-N 3.34Å; E190-L192 PolarHBondContact O-N 3.44Å; L192-L196 VanDerWaalsContact O-CB 3.22Å; L192-L196 WeakPolarHBondContact O-CB 3.44Å; L192-L196 WeakPolarHBondContact O-CD1 3.38Å; L192-L196 WeakPolarHBondContact O-CG 3.44Å; L192-L196 PolarHBondContact O-N 3.4Å
193F86.3Confident88.1Confident160 Ų160107.5 Ų107.570%0.70253%0.528SS*.Hα-helixtrans-64-43.4176.8-174.5-93.8000111.4K189 E190 K191 G197K189-F193 WeakPolarHBondContact O-CB 3.3Å; K189-F193 PolarHBondContact O-N 2.96Å; E190-F193 WeakPolarHBondContact O-CB 3.49Å; E190-F193 PolarHBondContact O-N 3.46Å; E190-F193 VanDerWaalsContact O-N 3.08Å; K191-F193 VanDerWaalsContact C-N 3.32Å; K191-F193 PolarHBondContact O-N 3.5Å; F193-G197 PolarHBondContact O-N 3.45Å
194D90Very high88.3Confident96 Ų96106.9 Ų106.951%0.51353%0.527SS..Hα-helixtrans-65.5-47.2176-69.7-21.3000111.9E190 K191 L196 G197 E198E190-D194 PolarHBondContact O-N 2.95Å; K191-D194 PolarHBondContact O-N 2.93Å; D194-L196 PolarHBondContact O-N 3.15Å; D194-G197 PolarHBondContact O-N 2.87Å; D194-E198 WeakPolarHBondContact O-CB 3.49Å; D194-E198 PolarHBondContact O-N 3.35Å
195D90.3Very high88.5Confident81 Ų81110.8 Ų110.843%0.43354%0.536SS..Hα-helixtrans-61.3-42.3178.3-74.1-17.7000111.4K191 A199K191-D195 WeakPolarHBondContact O-CB 3.48Å; K191-D195 VanDerWaalsContact O-CG 3.28Å; K191-D195 PolarHBondContact O-N 3.3Å; D195-A199 VanDerWaalsContact O-CB 3.27Å; D195-A199 WeakPolarHBondContact O-CB 3.46Å; D195-A199 PolarHBondContact O-N 3.07Å
196L87.2Confident88.8Confident121 Ų121107.3 Ų107.363%0.63453%0.529SS*.Hα-helixtrans-65.5-41.7174.4-84.1156.6000111.7L192 D194 S200L192-L196 VanDerWaalsContact O-CB 3.22Å; L192-L196 WeakPolarHBondContact O-CB 3.44Å; L192-L196 WeakPolarHBondContact O-CD1 3.38Å; L192-L196 WeakPolarHBondContact O-CG 3.44Å; L192-L196 PolarHBondContact O-N 3.4Å; D194-L196 PolarHBondContact O-N 3.15Å; L196-S200 WeakPolarHBondContact O-CB 3.41Å; L196-S200 PolarHBondContact O-N 3.05Å
197G88.4Confident89Confident31 Ų31108.8 Ų108.832%0.3253%0.531SS..Hα-helixtrans-63.3-43.517700000112.2F193 D194 K201F193-G197 PolarHBondContact O-N 3.45Å; D194-G197 PolarHBondContact O-N 2.87Å; G197-K201 WeakPolarHBondContact O-CG 3.45Å; G197-K201 PolarHBondContact O-N 3.39Å
198E90Very high89Confident94 Ų94106.6 Ų106.644%0.43953%0.529SS..Hα-helixtrans-68.9-42.1177.6-157.2-169.7-160.900111.7D194 S200 K201 R202D194-E198 WeakPolarHBondContact O-CB 3.49Å; D194-E198 PolarHBondContact O-N 3.35Å; E198-S200 PolarHBondContact O-N 3.28Å; E198-K201 PolarHBondContact O-N 3.09Å; E198-R202 VanDerWaalsContact CD-NH1 3.27Å; E198-R202 WeakPolarHBondContact O-CG 3.31Å; E198-R202 PolarHBondContact O-N 3.48Å; E198-R202 IonicContact OE1-CZ 3.62Å; E198-R202 IonicContact OE1-NH1 3.96Å; E198-R202 IonicContact OE1-NH2 2.78Å; E198-R202 PolarHBondContact OE1-NH2 2.95Å; E198-R202 IonicContact OE2-CZ 3.17Å; E198-R202 IonicContact OE2-NH1 3.48Å; E198-R202 PolarHBondContact OE2-NH1 2.87Å; E198-R202 IonicContact OE2-NH2 3.53Å; E198-R202 PolarHBondContact OE2-NH2 2.87Å
199A86.8Confident89Confident50 Ų50107.6 Ų107.641%0.41353%0.531SS..Hα-helixtrans-61.1-43.4174.600000112.1D195 R202 E203D195-A199 VanDerWaalsContact O-CB 3.27Å; D195-A199 WeakPolarHBondContact O-CB 3.46Å; D195-A199 PolarHBondContact O-N 3.07Å; A199-R202 PolarHBondContact O-N 2.95Å; A199-E203 PolarHBondContact O-N 3.18Å
200S85.4Confident89Confident55 Ų55106.2 Ų106.239%0.38552%0.524SS..Hα-helixtrans-64.4-41.8177.3-173.10000112.2L196 E198 E203 Q204L196-S200 WeakPolarHBondContact O-CB 3.41Å; L196-S200 PolarHBondContact O-N 3.05Å; E198-S200 PolarHBondContact O-N 3.28Å; S200-E203 PolarHBondContact O-N 3.12Å; S200-Q204 WeakPolarHBondContact O-CG 3.4Å; S200-Q204 PolarHBondContact O-N 3.42Å
201K91.4Very high88.8Confident150 Ų150105.4 Ų105.465%0.65252%0.522SS*.Hα-helixtrans-61.9-45.1174.7-75.6175.3-177.7176.50112.1G197 E198 E203 Q204 E205G197-K201 WeakPolarHBondContact O-CG 3.45Å; G197-K201 PolarHBondContact O-N 3.39Å; E198-K201 PolarHBondContact O-N 3.09Å; K201-E203 VanDerWaalsContact C-N 3.33Å; K201-E203 PolarHBondContact O-N 2.92Å; K201-Q204 PolarHBondContact O-N 3.49Å; K201-E205 WeakPolarHBondContact O-CB 3.43Å; K201-E205 PolarHBondContact O-N 3.32Å
202R88.5Confident88.7Confident128 Ų128107.7 Ų107.748%0.48353%0.532SS..Hα-helixtrans-61.2-41.6176.1-73.5-175.8-174.8115.1-1.1111.8E198 A199 E205 I206E198-R202 VanDerWaalsContact CD-NH1 3.27Å; E198-R202 WeakPolarHBondContact O-CG 3.31Å; E198-R202 PolarHBondContact O-N 3.48Å; E198-R202 IonicContact OE1-CZ 3.62Å; E198-R202 IonicContact OE1-NH1 3.96Å; E198-R202 IonicContact OE1-NH2 2.78Å; E198-R202 PolarHBondContact OE1-NH2 2.95Å; E198-R202 IonicContact OE2-CZ 3.17Å; E198-R202 IonicContact OE2-NH1 3.48Å; E198-R202 PolarHBondContact OE2-NH1 2.87Å; E198-R202 IonicContact OE2-NH2 3.53Å; E198-R202 PolarHBondContact OE2-NH2 2.87Å; A199-R202 PolarHBondContact O-N 2.95Å; R202-E205 PolarHBondContact O-N 3.38Å; R202-I206 VanDerWaalsContact O-CG1 3.28Å; R202-I206 WeakPolarHBondContact O-CG1 3.48Å; R202-I206 PolarHBondContact O-N 3.35Å
203E84.4Confident88.7Confident141 Ų141107.3 Ų107.366%0.65953%0.53SS*.Hα-helixtrans-64.9-42.7177.1-173.2174.5-165.300111.9A199 S200 K201 E205 I206 L207A199-E203 PolarHBondContact O-N 3.18Å; S200-E203 PolarHBondContact O-N 3.12Å; K201-E203 VanDerWaalsContact C-N 3.33Å; K201-E203 PolarHBondContact O-N 2.92Å; E203-E205 VanDerWaalsContact C-N 3.35Å; E203-E205 PolarHBondContact O-N 2.95Å; E203-I206 PolarHBondContact O-N 3.42Å; E203-L207 WeakPolarHBondContact O-CB 3.44Å; E203-L207 PolarHBondContact O-N 2.99Å
204Q89.5Confident88.7Confident117 Ų117106.3 Ų106.355%0.54753%0.528SS..Hα-helixtrans-61.7-41.2174.6-73.4177.23.400112.2S200 K201 L207 L208S200-Q204 WeakPolarHBondContact O-CG 3.4Å; S200-Q204 PolarHBondContact O-N 3.42Å; K201-Q204 PolarHBondContact O-N 3.49Å; Q204-L207 PolarHBondContact O-N 2.95Å; Q204-L208 WeakPolarHBondContact O-CB 3.49Å; Q204-L208 WeakPolarHBondContact O-CG 3.37Å; Q204-L208 PolarHBondContact O-N 3.29Å
205E90.9Very high88.4Confident137 Ų137104.4 Ų104.464%0.6453%0.525SS*.Hα-helixtrans-63.8-46.6177.1-173.7171.8-158.700111.8K201 R202 E203 L207 L208 E209K201-E205 WeakPolarHBondContact O-CB 3.43Å; K201-E205 PolarHBondContact O-N 3.32Å; R202-E205 PolarHBondContact O-N 3.38Å; E203-E205 VanDerWaalsContact C-N 3.35Å; E203-E205 PolarHBondContact O-N 2.95Å; E205-L207 VanDerWaalsContact C-N 3.29Å; E205-L207 PolarHBondContact O-N 3.28Å; E205-L208 PolarHBondContact O-N 3.19Å; E205-E209 WeakPolarHBondContact O-CB 3.36Å; E205-E209 PolarHBondContact O-N 3.11Å
206I89.5Confident88.2Confident91 Ų91106 Ų10647%0.46753%0.532SS..Hα-helixtrans-60.5-40.5175.6-68.8166.6000110.9R202 E203 E209 K210R202-I206 VanDerWaalsContact O-CG1 3.28Å; R202-I206 WeakPolarHBondContact O-CG1 3.48Å; R202-I206 PolarHBondContact O-N 3.35Å; E203-I206 PolarHBondContact O-N 3.42Å; I206-E209 PolarHBondContact O-N 2.94Å; I206-K210 HydrophobicContact CG2-CD 4.27Å; I206-K210 WeakPolarHBondContact O-CB 3.49Å; I206-K210 WeakPolarHBondContact O-CG 3.49Å; I206-K210 PolarHBondContact O-N 3Å
207L88.5Confident88Confident104 Ų104109.1 Ų109.155%0.54554%0.535SS..Hα-helixtrans-65-45.8177.9-176.961.5000111.4E203 Q204 E205 E209 K210 M211E203-L207 WeakPolarHBondContact O-CB 3.44Å; E203-L207 PolarHBondContact O-N 2.99Å; Q204-L207 PolarHBondContact O-N 2.95Å; E205-L207 VanDerWaalsContact C-N 3.29Å; E205-L207 PolarHBondContact O-N 3.28Å; L207-E209 VanDerWaalsContact C-N 3.34Å; L207-E209 PolarHBondContact O-N 3.35Å; L207-K210 PolarHBondContact O-N 3.03Å; L207-M211 HydrophobicContact CG-SD 4.42Å; L207-M211 WeakPolarHBondContact O-CG 3.48Å; L207-M211 PolarHBondContact O-N 2.8Å
208L89.8Confident87.8Confident104 Ų104115 Ų11555%0.54555%0.552SS.*Hα-helixtrans-61.4-41.1176.3-77.1167.9000112Q204 E205 M211 K212Q204-L208 WeakPolarHBondContact O-CB 3.49Å; Q204-L208 WeakPolarHBondContact O-CG 3.37Å; Q204-L208 PolarHBondContact O-N 3.29Å; E205-L208 PolarHBondContact O-N 3.19Å; L208-M211 PolarHBondContact O-N 3.2Å; L208-K212 WeakPolarHBondContact O-CG 3.44Å; L208-K212 PolarHBondContact O-N 3.11Å
209E90.8Very high87.6Confident122 Ų122114.7 Ų114.757%0.5756%0.557SS**Hα-helixtrans-64-44.3176.4-169.9175.8-163.800111.6E205 I206 L207 M211 K212 L213E205-E209 WeakPolarHBondContact O-CB 3.36Å; E205-E209 PolarHBondContact O-N 3.11Å; I206-E209 PolarHBondContact O-N 2.94Å; L207-E209 VanDerWaalsContact C-N 3.34Å; L207-E209 PolarHBondContact O-N 3.35Å; E209-M211 VanDerWaalsContact C-N 3.34Å; E209-M211 PolarHBondContact O-N 2.91Å; E209-K212 PolarHBondContact O-N 3.18Å; E209-L213 WeakPolarHBondContact O-CG 3.35Å; E209-L213 PolarHBondContact O-N 3.01Å
210K90.1Very high87.5Confident134 Ų134115.8 Ų115.858%0.58356%0.561SS**Hα-helixtrans-59.4-43.3174-76.2176.7-180177.40112.1I206 L207 L213 Q214I206-K210 HydrophobicContact CG2-CD 4.27Å; I206-K210 WeakPolarHBondContact O-CB 3.49Å; I206-K210 WeakPolarHBondContact O-CG 3.49Å; I206-K210 PolarHBondContact O-N 3Å; L207-K210 PolarHBondContact O-N 3.03Å; K210-L213 PolarHBondContact O-N 3.25Å; K210-Q214 WeakPolarHBondContact O-CB 3.4Å; K210-Q214 PolarHBondContact O-N 2.92Å
211M85.9Confident87.4Confident111 Ų111116.8 Ų116.855%0.54756%0.56SS.*Hα-helixtrans-63.7-42.2177.2-71.8-179.871.600111.9L207 L208 E209 Q214 A215L207-M211 HydrophobicContact CG-SD 4.42Å; L207-M211 WeakPolarHBondContact O-CG 3.48Å; L207-M211 PolarHBondContact O-N 2.8Å; L208-M211 PolarHBondContact O-N 3.2Å; E209-M211 VanDerWaalsContact C-N 3.34Å; E209-M211 PolarHBondContact O-N 2.91Å; M211-Q214 PolarHBondContact O-N 3.44Å; M211-A215 WeakPolarHBondContact O-CB 3.34Å; M211-A215 PolarHBondContact O-N 2.89Å
212K89.8Confident87.1Confident147 Ų147112.6 Ų112.664%0.63955%0.549SS*.Hα-helixtrans-61-46.1174.7-75.1176.3-179.4177.30111.8L208 E209 Q214 A215 M216L208-K212 WeakPolarHBondContact O-CG 3.44Å; L208-K212 PolarHBondContact O-N 3.11Å; E209-K212 PolarHBondContact O-N 3.18Å; K212-Q214 VanDerWaalsContact C-N 3.31Å; K212-Q214 PolarHBondContact O-N 3.35Å; K212-A215 PolarHBondContact O-N 2.96Å; K212-M216 WeakPolarHBondContact O-CG 3.2Å; K212-M216 PolarHBondContact O-N 3.26Å
213L89.2Confident87.2Confident80 Ų80109 Ų10942%0.41955%0.547SS..Hα-helixtrans-60.2-41.3176.1-71.8171.7000111.8E209 K210 M216 R217E209-L213 WeakPolarHBondContact O-CG 3.35Å; E209-L213 PolarHBondContact O-N 3.01Å; K210-L213 PolarHBondContact O-N 3.25Å; L213-M216 HydrophobicContact CD2-CE 3.7Å; L213-M216 PolarHBondContact O-N 3.41Å; L213-R217 WeakPolarHBondContact O-CG 3.27Å; L213-R217 PolarHBondContact O-N 3.38Å
214Q86.7Confident87.4Confident139 Ų139110.2 Ų110.265%0.6555%0.545SS*.Hα-helixtrans-65.9-42.2176.9-171.7175.66.100112.1K210 M211 K212 R217 F218K210-Q214 WeakPolarHBondContact O-CB 3.4Å; K210-Q214 PolarHBondContact O-N 2.92Å; M211-Q214 PolarHBondContact O-N 3.44Å; K212-Q214 VanDerWaalsContact C-N 3.31Å; K212-Q214 PolarHBondContact O-N 3.35Å; Q214-R217 PolarHBondContact O-N 2.91Å; Q214-F218 PolarHBondContact O-N 3.26Å
215A83.7Confident87.3Confident56 Ų56109.7 Ų109.746%0.46354%0.543SS..Hα-helixtrans-62.9-41.1175.800000112.2M211 K212 F218 T219M211-A215 WeakPolarHBondContact O-CB 3.34Å; M211-A215 PolarHBondContact O-N 2.89Å; K212-A215 PolarHBondContact O-N 2.96Å; A215-F218 PolarHBondContact O-N 3.48Å; A215-T219 WeakPolarHBondContact O-CG2 3.48Å; A215-T219 PolarHBondContact O-N 3.43Å; A215-T219 PolarHBondContact O-OG1 3.3Å
216M86.2Confident87.3Confident115 Ų115107.7 Ų107.757%0.56753%0.534SS*.Hα-helixtrans-63.5-41.2173.8-70.9-166.1-49.200112.2K212 L213 T219 S220K212-M216 WeakPolarHBondContact O-CG 3.2Å; K212-M216 PolarHBondContact O-N 3.26Å; L213-M216 HydrophobicContact CD2-CE 3.7Å; L213-M216 PolarHBondContact O-N 3.41Å; M216-T219 WeakPolarHBondContact CA-OG1 3.47Å; M216-T219 PolarHBondContact O-N 3.32Å; M216-T219 PolarHBondContact O-OG1 2.99Å; M216-S220 WeakPolarHBondContact O-CB 3.38Å; M216-S220 PolarHBondContact O-N 3.46Å; M216-S220 PolarHBondContact O-OG 3.39Å
217R83Confident87.4Confident186 Ų186108.5 Ų108.570%0.70254%0.539SS*.Hα-helixtrans-61.7-45174.8-72.9175.7-177-165.41.4111.5L213 Q214 T219 S220 E221L213-R217 WeakPolarHBondContact O-CG 3.27Å; L213-R217 PolarHBondContact O-N 3.38Å; Q214-R217 PolarHBondContact O-N 2.91Å; R217-T219 PolarHBondContact O-N 3.35Å; R217-S220 WeakPolarHBondContact CA-OG 3.44Å; R217-S220 PolarHBondContact O-N 3.47Å; R217-S220 PolarHBondContact O-OG 3.45Å; R217-E221 WeakPolarHBondContact O-CB 3.34Å; R217-E221 PolarHBondContact O-N 3.07Å
218F83.4Confident87.6Confident154 Ų154109.5 Ų109.568%0.67554%0.539SS*.Hα-helixtrans-61.1-45.2178.5-175.9-95.7000112.2Q214 A215 E221 S222Q214-F218 PolarHBondContact O-N 3.26Å; A215-F218 PolarHBondContact O-N 3.48Å; F218-E221 PolarHBondContact O-N 3.47Å; F218-S222 VanDerWaalsContact O-CB 3.31Å; F218-S222 WeakPolarHBondContact O-CB 3.38Å; F218-S222 PolarHBondContact O-N 2.84Å
219T86.4Confident87.6Confident88 Ų88108.5 Ų108.554%0.5453%0.533SS..Hα-helixtrans-65.5-41.4177.549.20000112.4A215 M216 R217 E221 S222 A223A215-T219 WeakPolarHBondContact O-CG2 3.48Å; A215-T219 PolarHBondContact O-N 3.43Å; A215-T219 PolarHBondContact O-OG1 3.3Å; M216-T219 WeakPolarHBondContact CA-OG1 3.47Å; M216-T219 PolarHBondContact O-N 3.32Å; M216-T219 PolarHBondContact O-OG1 2.99Å; R217-T219 PolarHBondContact O-N 3.35Å; T219-E221 PolarHBondContact O-N 2.94Å; T219-S222 PolarHBondContact O-N 2.94Å; T219-A223 WeakPolarHBondContact O-CB 3.5Å; T219-A223 PolarHBondContact O-N 3.05Å
220S84Confident87.6Confident73 Ų73106.1 Ų106.151%0.5152%0.524SS..Hα-helixtrans-63.6-40.3175.5670000113M216 R217 A223 R224M216-S220 WeakPolarHBondContact O-CB 3.38Å; M216-S220 PolarHBondContact O-N 3.46Å; M216-S220 PolarHBondContact O-OG 3.39Å; R217-S220 WeakPolarHBondContact CA-OG 3.44Å; R217-S220 PolarHBondContact O-N 3.47Å; R217-S220 PolarHBondContact O-OG 3.45Å; S220-A223 PolarHBondContact O-N 3.31Å; S220-R224 WeakPolarHBondContact O-CB 3.18Å; S220-R224 PolarHBondContact O-N 2.88Å
221E84.3Confident87.7Confident76 Ų76106 Ų10636%0.35553%0.526SS..Hα-helixtrans-73.1-36.3178.6-176.360.1-159.200110.8R217 F218 T219 R224 Q225R217-E221 WeakPolarHBondContact O-CB 3.34Å; R217-E221 PolarHBondContact O-N 3.07Å; F218-E221 PolarHBondContact O-N 3.47Å; T219-E221 PolarHBondContact O-N 2.94Å; E221-R224 PolarHBondContact O-N 3.23Å; E221-R224 IonicContact OE1-NH1 2.64Å; E221-R224 IonicContact OE2-NH1 3.25Å; E221-R224 PolarHBondContact OE2-NH1 2.97Å; E221-Q225 WeakPolarHBondContact O-CB 3.41Å; E221-Q225 VanDerWaalsContact O-CG 3.25Å; E221-Q225 WeakPolarHBondContact O-CG 3.3Å; E221-Q225 PolarHBondContact O-N 3.32Å; E221-Q225 PolarHBondContact OE1-NE2 2.82Å
222S85.8Confident87.9Confident61 Ų61106.8 Ų106.843%0.42753%0.526SS..Hα-helixtrans-61.5-43.2172.3-172.30000112F218 T219 Q225 Q226F218-S222 VanDerWaalsContact O-CB 3.31Å; F218-S222 WeakPolarHBondContact O-CB 3.38Å; F218-S222 PolarHBondContact O-N 2.84Å; T219-S222 PolarHBondContact O-N 2.94Å; S222-Q225 PolarHBondContact O-N 3.49Å; S222-Q226 PolarHBondContact O-N 3.33Å
223A88.6Confident87.8Confident53 Ų53103.3 Ų103.344%0.43851%0.514SS..Hα-helixtrans-62.2-47.4176.300000111.3T219 S220 Q225 Q226 D227T219-A223 WeakPolarHBondContact O-CB 3.5Å; T219-A223 PolarHBondContact O-N 3.05Å; S220-A223 PolarHBondContact O-N 3.31Å; A223-Q225 VanDerWaalsContact C-N 3.29Å; A223-Q225 PolarHBondContact O-N 3Å; A223-Q226 WeakPolarHBondContact O-CB 3.38Å; A223-Q226 PolarHBondContact O-N 2.74Å; A223-Q226 VanDerWaalsContact O-N 3.11Å; A223-D227 PolarHBondContact O-N 3.3Å
224R88.7Confident87.8Confident166 Ų166103.7 Ų103.763%0.62652%0.52SS*.Hα-helixtrans-60.2-37.1175.9-178.8180172.2-128.11.4113S220 E221 K228S220-R224 WeakPolarHBondContact O-CB 3.18Å; S220-R224 PolarHBondContact O-N 2.88Å; E221-R224 PolarHBondContact O-N 3.23Å; E221-R224 IonicContact OE1-NH1 2.64Å; E221-R224 IonicContact OE2-NH1 3.25Å; E221-R224 PolarHBondContact OE2-NH1 2.97Å; R224-K228 PolarHBondContact O-N 3.46Å
225Q89Confident87.8Confident107 Ų107101.8 Ų101.850%0.551%0.511SS..Hα-helixtrans-69.4-38.5175.8-74.7178.913.300111.7E221 S222 A223 K228 I229E221-Q225 WeakPolarHBondContact O-CB 3.41Å; E221-Q225 VanDerWaalsContact O-CG 3.25Å; E221-Q225 WeakPolarHBondContact O-CG 3.3Å; E221-Q225 PolarHBondContact O-N 3.32Å; E221-Q225 PolarHBondContact OE1-NE2 2.82Å; S222-Q225 PolarHBondContact O-N 3.49Å; A223-Q225 VanDerWaalsContact C-N 3.29Å; A223-Q225 PolarHBondContact O-N 3Å; Q225-K228 PolarHBondContact O-N 2.88Å; Q225-I229 WeakPolarHBondContact O-CG1 3.5Å; Q225-I229 PolarHBondContact O-N 3.33Å
226Q89.3Confident87.6Confident94 Ų94101.5 Ų101.544%0.43951%0.509SS..Hα-helixtrans-62.7-45.4174.3-172.158.242.300111.2S222 A223 K228 I229 D230S222-Q226 PolarHBondContact O-N 3.33Å; A223-Q226 WeakPolarHBondContact O-CB 3.38Å; A223-Q226 PolarHBondContact O-N 2.74Å; A223-Q226 VanDerWaalsContact O-N 3.11Å; Q226-K228 VanDerWaalsContact C-N 3.27Å; Q226-K228 PolarHBondContact O-N 3.14Å; Q226-I229 WeakPolarHBondContact O-CA 3.48Å; Q226-I229 WeakPolarHBondContact O-CB 3.33Å; Q226-I229 PolarHBondContact O-N 2.9Å; Q226-D230 PolarHBondContact NE2-OD1 3.07Å; Q226-D230 VanDerWaalsContact NE2-OD1 3.1Å; Q226-D230 PolarHBondContact O-N 3.5Å
227D91.7Very high87.4Confident108 Ų108102.5 Ų102.558%0.57851%0.51SS*.Hα-helixtrans-56.8-42176.1-65.7-23.5000111.7A223 I229 D230 E231A223-D227 PolarHBondContact O-N 3.3Å; D227-I229 VanDerWaalsContact C-N 3.32Å; D227-I229 PolarHBondContact O-N 3.36Å; D227-D230 PolarHBondContact O-N 2.95Å; D227-E231 WeakPolarHBondContact O-CB 3.36Å; D227-E231 PolarHBondContact O-N 3.07Å
228K92.5Very high87.2Confident125 Ų12595.2 Ų95.254%0.54349%0.493SS..Hα-helixtrans-67-32.6177.4-169.4175.5-174.2175.60112.8R224 Q225 Q226 K232R224-K228 PolarHBondContact O-N 3.46Å; Q225-K228 PolarHBondContact O-N 2.88Å; Q226-K228 VanDerWaalsContact C-N 3.27Å; Q226-K228 PolarHBondContact O-N 3.14Å; K228-K232 WeakPolarHBondContact O-CG 3.34Å; K228-K232 PolarHBondContact O-N 3.37Å
229I89.8Confident86.8Confident83 Ų8395.2 Ų95.243%0.42649%0.488SS..Hα-helixtrans-70.1-44.2174.4-70.1165.9000109.4Q225 Q226 D227 E231 K232 I233Q225-I229 WeakPolarHBondContact O-CG1 3.5Å; Q225-I229 PolarHBondContact O-N 3.33Å; Q226-I229 WeakPolarHBondContact O-CA 3.48Å; Q226-I229 WeakPolarHBondContact O-CB 3.33Å; Q226-I229 PolarHBondContact O-N 2.9Å; D227-I229 VanDerWaalsContact C-N 3.32Å; D227-I229 PolarHBondContact O-N 3.36Å; I229-E231 PolarHBondContact O-N 2.98Å; I229-K232 PolarHBondContact O-N 3.31Å; I229-I233 HydrophobicContact CG2-CD1 3.74Å; I229-I233 HydrophobicContact CG2-CG1 4.35Å; I229-I233 VanDerWaalsContact O-CG1 3.3Å; I229-I233 WeakPolarHBondContact O-CG1 3.28Å; I229-I233 PolarHBondContact O-N 3.37Å
230D91.8Very high85.8Confident72 Ų7298.4 Ų98.439%0.38549%0.494SS..Hα-helixtrans-64.9-38.5179.3-67.1-21.2000111.7Q226 D227 I233 T234Q226-D230 PolarHBondContact NE2-OD1 3.07Å; Q226-D230 VanDerWaalsContact NE2-OD1 3.1Å; Q226-D230 PolarHBondContact O-N 3.5Å; D227-D230 PolarHBondContact O-N 2.95Å; D230-I233 PolarHBondContact O-N 3.49Å; D230-T234 WeakPolarHBondContact O-CG2 3.49Å; D230-T234 PolarHBondContact O-N 2.93Å; D230-T234 PolarHBondContact O-OG1 3.01Å
231E92Very high84.7Confident131 Ų131102.4 Ų102.461%0.61250%0.502SS*.Hα-helixtrans-59.1-47.2170.5-171.7-177.4-167.900111.6D227 I229 I233 T234 E235D227-E231 WeakPolarHBondContact O-CB 3.36Å; D227-E231 PolarHBondContact O-N 3.07Å; I229-E231 PolarHBondContact O-N 2.98Å; E231-I233 VanDerWaalsContact C-N 3.33Å; E231-I233 PolarHBondContact O-N 2.98Å; E231-T234 WeakPolarHBondContact CA-OG1 3.31Å; E231-T234 PolarHBondContact O-N 3.46Å; E231-T234 PolarHBondContact O-OG1 3.48Å; E231-E235 WeakPolarHBondContact O-CB 3.17Å; E231-E235 PolarHBondContact O-N 3.38Å
232K90Very high83.5Confident128 Ų128103.9 Ų103.956%0.55751%0.512SS*.Hα-helixtrans-64.9-36.2176.7-75.4180175.6-171.50112.8K228 I229 A236K228-K232 WeakPolarHBondContact O-CG 3.34Å; K228-K232 PolarHBondContact O-N 3.37Å; I229-K232 PolarHBondContact O-N 3.31Å; K232-A236 VanDerWaalsContact O-CB 3.26Å; K232-A236 WeakPolarHBondContact O-CB 3.38Å; K232-A236 PolarHBondContact O-N 3.33Å
233I88.6Confident82Confident74 Ų74110.4 Ų110.438%0.37953%0.527SS..Hα-helixtrans-67-43.7176.3-70.9168.7000110.1I229 D230 E231 A236 K237I229-I233 HydrophobicContact CG2-CD1 3.74Å; I229-I233 HydrophobicContact CG2-CG1 4.35Å; I229-I233 VanDerWaalsContact O-CG1 3.3Å; I229-I233 WeakPolarHBondContact O-CG1 3.28Å; I229-I233 PolarHBondContact O-N 3.37Å; D230-I233 PolarHBondContact O-N 3.49Å; E231-I233 VanDerWaalsContact C-N 3.33Å; E231-I233 PolarHBondContact O-N 2.98Å; I233-A236 PolarHBondContact O-N 3.18Å; I233-K237 HydrophobicContact CG2-CD 4.09Å; I233-K237 HydrophobicContact CG2-CG 4.45Å; I233-K237 WeakPolarHBondContact O-CB 3.28Å; I233-K237 VanDerWaalsContact O-CG 3.3Å; I233-K237 WeakPolarHBondContact O-CG 3.37Å; I233-K237 PolarHBondContact O-N 3.04Å
234T88.3Confident80.5Confident89 Ų89116.8 Ų116.855%0.54655%0.545SS..Hα-helixtrans-66-41.1177.551.10000111.5D230 E231 K237 G238D230-T234 WeakPolarHBondContact O-CG2 3.49Å; D230-T234 PolarHBondContact O-N 2.93Å; D230-T234 PolarHBondContact O-OG1 3.01Å; E231-T234 WeakPolarHBondContact CA-OG1 3.31Å; E231-T234 PolarHBondContact O-N 3.46Å; E231-T234 PolarHBondContact O-OG1 3.48Å; T234-K237 PolarHBondContact O-N 3.41Å; T234-G238 PolarHBondContact O-N 2.95Å
235E87.5Confident79Confident99 Ų99117 Ų11746%0.46355%0.553SS.*Hα-helixtrans-61.1-45.9172.6-166.2-168.3169.500111.6E231 K237 G238 R239E231-E235 WeakPolarHBondContact O-CB 3.17Å; E231-E235 PolarHBondContact O-N 3.38Å; E235-K237 PolarHBondContact O-N 2.95Å; E235-G238 PolarHBondContact O-N 3.12Å; E235-R239 WeakPolarHBondContact O-CG 3.49Å; E235-R239 PolarHBondContact O-N 2.73Å; E235-R239 IonicContact OE1-CZ 2.79Å; E235-R239 VanDerWaalsContact OE1-CZ 3.25Å; E235-R239 IonicContact OE1-NE 3.25Å; E235-R239 PolarHBondContact OE1-NE 3.38Å; E235-R239 IonicContact OE1-NH2 2.83Å; E235-R239 PolarHBondContact OE1-NH2 2.96Å
236A79.5Confident77.6Confident50 Ų50116 Ų11641%0.41355%0.548SS..Hα-helixtrans-63.8-38.5176.700000112.5K232 I233 R239 K240K232-A236 VanDerWaalsContact O-CB 3.26Å; K232-A236 WeakPolarHBondContact O-CB 3.38Å; K232-A236 PolarHBondContact O-N 3.33Å; I233-A236 PolarHBondContact O-N 3.18Å; A236-R239 PolarHBondContact O-N 3.41Å; A236-K240 WeakPolarHBondContact O-CG 3.41Å; A236-K240 PolarHBondContact O-N 3.06Å
237K82Confident76.5Confident136 Ų136114.6 Ų114.659%0.59155%0.549SS*.Hα-helixtrans-66.1-40.1173-76.5177.2179.1178.60111.4I233 T234 E235 K240 K241I233-K237 HydrophobicContact CG2-CD 4.09Å; I233-K237 HydrophobicContact CG2-CG 4.45Å; I233-K237 WeakPolarHBondContact O-CB 3.28Å; I233-K237 VanDerWaalsContact O-CG 3.3Å; I233-K237 WeakPolarHBondContact O-CG 3.37Å; I233-K237 PolarHBondContact O-N 3.04Å; T234-K237 PolarHBondContact O-N 3.41Å; E235-K237 PolarHBondContact O-N 2.95Å; K237-K240 PolarHBondContact O-N 3.4Å; K237-K241 PolarHBondContact O-N 3.1Å
238G78.5Confident75.3Confident33 Ų33114.3 Ų114.334%0.3455%0.552SS.*Hα-helixtrans-59.5-48173.400000112T234 E235 K240 K241 I242T234-G238 PolarHBondContact O-N 2.95Å; E235-G238 PolarHBondContact O-N 3.12Å; G238-K240 VanDerWaalsContact C-N 3.3Å; G238-K240 PolarHBondContact O-N 3.14Å; G238-K241 PolarHBondContact O-N 3.5Å; G238-I242 WeakPolarHBondContact O-CG1 3.35Å; G238-I242 PolarHBondContact O-N 2.75Å; G238-I242 VanDerWaalsContact O-N 3.13Å
239R74Confident74.4Confident153 Ų153113.8 Ų113.858%0.57755%0.554SS**Hα-helixtrans-60.3-36.2174.5-68.5173.9-176.6-156.20.1112.7E235 A236 R243E235-R239 WeakPolarHBondContact O-CG 3.49Å; E235-R239 PolarHBondContact O-N 2.73Å; E235-R239 IonicContact OE1-CZ 2.79Å; E235-R239 VanDerWaalsContact OE1-CZ 3.25Å; E235-R239 IonicContact OE1-NE 3.25Å; E235-R239 PolarHBondContact OE1-NE 3.38Å; E235-R239 IonicContact OE1-NH2 2.83Å; E235-R239 PolarHBondContact OE1-NH2 2.96Å; A236-R239 PolarHBondContact O-N 3.41Å; R239-R243 WeakPolarHBondContact O-CG 3.33Å; R239-R243 PolarHBondContact O-N 3.32Å
240K65.5Low73.9Confident155 Ų155113 Ų11367%0.67455%0.554SS**Hα-helixtrans-68.8-33.8173.5-78.6-174.3178.4-175.50112.9A236 K237 G238 R243 K244A236-K240 WeakPolarHBondContact O-CG 3.41Å; A236-K240 PolarHBondContact O-N 3.06Å; K237-K240 PolarHBondContact O-N 3.4Å; G238-K240 VanDerWaalsContact C-N 3.3Å; G238-K240 PolarHBondContact O-N 3.14Å; K240-R243 PolarHBondContact O-N 3.35Å; K240-K244 PolarHBondContact O-N 3.34Å
241K62.3Low73.1Confident157 Ų157111.4 Ų111.468%0.68355%0.55SS**Hα-helixtrans-69.1-42.8179.1-164.1179.5178.4-1720111.2K237 G238 R243 K244K237-K241 PolarHBondContact O-N 3.1Å; G238-K241 PolarHBondContact O-N 3.5Å; K241-R243 VanDerWaalsContact C-N 3.29Å; K241-R243 PolarHBondContact O-N 3.4Å; K241-K244 PolarHBondContact O-N 2.88Å
242I57.8Low72.5Confident108 Ų108109.6 Ų109.655%0.55454%0.544SS*.Hα-helixtrans-59.7-41.2175.9-61.6165.4000110.7G238 K244 E245G238-I242 WeakPolarHBondContact O-CG1 3.35Å; G238-I242 PolarHBondContact O-N 2.75Å; G238-I242 VanDerWaalsContact O-N 3.13Å; I242-K244 PolarHBondContact O-N 2.75Å; I242-E245 PolarHBondContact O-N 2.88Å
243R54.4Low72Confident197 Ų197106.5 Ų106.574%0.74354%0.538SS*.Hα-helixtrans-68.1-11.2176.8-71.2-178.4-175.1-175.80.3115.4R239 K240 K241R239-R243 WeakPolarHBondContact O-CG 3.33Å; R239-R243 PolarHBondContact O-N 3.32Å; K240-R243 PolarHBondContact O-N 3.35Å; K241-R243 VanDerWaalsContact C-N 3.29Å; K241-R243 PolarHBondContact O-N 3.4Å
244K57.8Low71.8Confident187 Ų187107.2 Ų107.281%0.81354%0.54SS*.Hα-helixtrans-90.4-16.6175-77.3-171175.4-1700113K240 K241 I242K240-K244 PolarHBondContact O-N 3.34Å; K241-K244 PolarHBondContact O-N 2.88Å; I242-K244 PolarHBondContact O-N 2.75Å
245E56.7Low71.7Confident170 Ų170108.9 Ų108.979%0.79455%0.545SS*.Hα-helixtrans-86.1-27.5178-100170.9174.700112.7I242I242-E245 PolarHBondContact O-N 2.88Å
246E59.1Low71.7Confident86 Ų86108.6 Ų108.640%0.40255%0.546SS..SBendtrans-77.8121.1166.8-70.2173.4167.900108.6T248E246-T248 PolarHBondContact O-N 2.79Å
247S66.2Low72.2Confident65 Ų65110.8 Ų110.846%0.45555%0.551SS.*  trans-56136.7171.369.50000108D249 V250 A251S247-D249 PolarHBondContact O-N 2.9Å; S247-V250 PolarHBondContact O-N 3.4Å; S247-V250 VanDerWaalsContact OG-CG2 3.25Å; S247-V250 WeakPolarHBondContact OG-CG2 3.06Å; S247-V250 PolarHBondContact OG-N 3.01Å; S247-A251 PolarHBondContact O-N 3.35Å; S247-A251 VanDerWaalsContact O-N 3.13Å
248T68.1Low72.6Confident103 Ų103110.4 Ų110.463%0.63255%0.549SS*.Hα-helixtrans-49.6-33.7-178.641.70000111.8E246 A251 I252E246-T248 PolarHBondContact O-N 2.79Å; T248-A251 PolarHBondContact O-N 2.8Å; T248-I252 WeakPolarHBondContact O-CB 3.45Å; T248-I252 WeakPolarHBondContact O-CD1 3.36Å; T248-I252 WeakPolarHBondContact O-CG1 3.33Å; T248-I252 PolarHBondContact O-N 3.04Å
249D72.3Confident73.1Confident113 Ų113112.2 Ų112.260%0.60456%0.557SS**Hα-helixtrans-67.9-42.2179.3-59.1-13.1000112.2S247 I252 S253S247-D249 PolarHBondContact O-N 2.9Å; D249-I252 PolarHBondContact O-N 3.15Å; D249-S253 WeakPolarHBondContact O-CB 3.34Å; D249-S253 PolarHBondContact O-N 3.1Å; D249-S253 PolarHBondContact O-OG 2.83Å; D249-S253 VanDerWaalsContact O-OG 3.08Å
250V79.9Confident73.9Confident68 Ų68110.4 Ų110.441%0.41256%0.555SS.*Hα-helixtrans-66.3-41.6175.8172.30000110.8S247 I252 S253 Q254S247-V250 PolarHBondContact O-N 3.4Å; S247-V250 VanDerWaalsContact OG-CG2 3.25Å; S247-V250 WeakPolarHBondContact OG-CG2 3.06Å; S247-V250 PolarHBondContact OG-N 3.01Å; V250-I252 VanDerWaalsContact C-N 3.34Å; V250-I252 PolarHBondContact O-N 3Å; V250-S253 PolarHBondContact O-N 2.86Å; V250-Q254 HydrophobicContact CG1-CG 4.5Å; V250-Q254 WeakPolarHBondContact O-CG 3.35Å; V250-Q254 PolarHBondContact O-N 3.18Å
251A75.5Confident75.1Confident37 Ų37109 Ų10931%0.30655%0.55SS.*Hα-helixtrans-64.6-39.417700000111.8S247 T248 L255S247-A251 PolarHBondContact O-N 3.35Å; S247-A251 VanDerWaalsContact O-N 3.13Å; T248-A251 PolarHBondContact O-N 2.8Å; A251-L255 WeakPolarHBondContact O-CB 3.45Å; A251-L255 PolarHBondContact O-N 3.14Å
252I77.8Confident76.5Confident93 Ų93105.8 Ų105.848%0.47754%0.54SS..Hα-helixtrans-66.9-45.6174.9-70163.5000110.4T248 D249 V250 Q254 L255 L256T248-I252 WeakPolarHBondContact O-CB 3.45Å; T248-I252 WeakPolarHBondContact O-CD1 3.36Å; T248-I252 WeakPolarHBondContact O-CG1 3.33Å; T248-I252 PolarHBondContact O-N 3.04Å; D249-I252 PolarHBondContact O-N 3.15Å; V250-I252 VanDerWaalsContact C-N 3.34Å; V250-I252 PolarHBondContact O-N 3Å; I252-Q254 PolarHBondContact O-N 2.88Å; I252-L255 WeakPolarHBondContact O-CB 3.3Å; I252-L255 PolarHBondContact O-N 3.5Å; I252-L255 VanDerWaalsContact O-N 3.11Å; I252-L256 HydrophobicContact CG2-CD1 3.94Å; I252-L256 HydrophobicContact CG2-CG 4.28Å; I252-L256 WeakPolarHBondContact O-CG 3.41Å; I252-L256 PolarHBondContact O-N 2.94Å
253S81.2Confident78.1Confident64 Ų64105.3 Ų105.345%0.44854%0.539SS..Hα-helixtrans-58-48.2176.4-68.70000111.8D249 V250 L255 L256 D257D249-S253 WeakPolarHBondContact O-CB 3.34Å; D249-S253 PolarHBondContact O-N 3.1Å; D249-S253 PolarHBondContact O-OG 2.83Å; D249-S253 VanDerWaalsContact O-OG 3.08Å; V250-S253 PolarHBondContact O-N 2.86Å; S253-L255 VanDerWaalsContact C-N 3.25Å; S253-L255 PolarHBondContact O-N 3.5Å; S253-L256 PolarHBondContact O-N 3.37Å; S253-D257 VanDerWaalsContact O-CG 3.3Å; S253-D257 PolarHBondContact O-N 2.92Å
254Q84.1Confident79.7Confident89 Ų89102.4 Ų102.442%0.41653%0.534SS..Hα-helixtrans-61.7-33.6176.1-71.7-179.510.700112.9V250 I252 K258V250-Q254 HydrophobicContact CG1-CG 4.5Å; V250-Q254 WeakPolarHBondContact O-CG 3.35Å; V250-Q254 PolarHBondContact O-N 3.18Å; I252-Q254 PolarHBondContact O-N 2.88Å; Q254-K258 WeakPolarHBondContact O-CB 3.33Å; Q254-K258 WeakPolarHBondContact O-CG 3.26Å; Q254-K258 PolarHBondContact O-N 2.69Å; Q254-K258 VanDerWaalsContact O-N 3.07Å
255L85.3Confident81.2Confident123 Ų12398.1 Ų98.164%0.64452%0.518SS*.Hα-helixtrans-71.5-40.4176.9-162.877.5000111.4A251 I252 S253 K258 S259A251-L255 WeakPolarHBondContact O-CB 3.45Å; A251-L255 PolarHBondContact O-N 3.14Å; I252-L255 WeakPolarHBondContact O-CB 3.3Å; I252-L255 PolarHBondContact O-N 3.5Å; I252-L255 VanDerWaalsContact O-N 3.11Å; S253-L255 VanDerWaalsContact C-N 3.25Å; S253-L255 PolarHBondContact O-N 3.5Å; L255-K258 PolarHBondContact O-N 3.43Å; L255-S259 WeakPolarHBondContact O-CB 3.4Å; L255-S259 PolarHBondContact O-N 2.86Å
256L87.3Confident82.5Confident94 Ų9497.2 Ų97.249%0.49251%0.508SS..Hα-helixtrans-64.7-43.7174.6-70.9173.1000111I252 S253 K258 S259 H260I252-L256 HydrophobicContact CG2-CD1 3.94Å; I252-L256 HydrophobicContact CG2-CG 4.28Å; I252-L256 WeakPolarHBondContact O-CG 3.41Å; I252-L256 PolarHBondContact O-N 2.94Å; S253-L256 PolarHBondContact O-N 3.37Å; L256-K258 PolarHBondContact O-N 3.22Å; L256-S259 CarbonylContact O-C 3.58Å; L256-S259 WeakPolarHBondContact O-CA 3.43Å; L256-S259 WeakPolarHBondContact O-CB 3.33Å; L256-S259 PolarHBondContact O-N 3.1Å; L256-S259 VanDerWaalsContact O-N 3.12Å; L256-H260 PolarHBondContact O-CD2 3.36Å; L256-H260 PolarHBondContact O-N 3.46Å
257D90.3Very high83.9Confident95 Ų9597.7 Ų97.751%0.50851%0.51SS..Hα-helixtrans-59.8-45.7175.5-70-16.7000111.4S253 S259 H260 Q261S253-D257 VanDerWaalsContact O-CG 3.3Å; S253-D257 PolarHBondContact O-N 2.92Å; D257-S259 VanDerWaalsContact C-N 3.32Å; D257-S259 PolarHBondContact O-N 3.27Å; D257-H260 PolarHBondContact O-N 3.39Å; D257-Q261 WeakPolarHBondContact O-CG 3.39Å; D257-Q261 PolarHBondContact O-N 3.49Å
258K90.1Very high85.1Confident129 Ų129100.5 Ų100.556%0.56151%0.514SS*.Hα-helixtrans-63.9-36.9174.2-78.6179.2-178.8171.90112.6Q254 L255 L256 H260 Q261 L262Q254-K258 WeakPolarHBondContact O-CB 3.33Å; Q254-K258 WeakPolarHBondContact O-CG 3.26Å; Q254-K258 PolarHBondContact O-N 2.69Å; Q254-K258 VanDerWaalsContact O-N 3.07Å; L255-K258 PolarHBondContact O-N 3.43Å; L256-K258 PolarHBondContact O-N 3.22Å; K258-H260 VanDerWaalsContact C-N 3.35Å; K258-Q261 PolarHBondContact O-N 3.45Å; K258-L262 WeakPolarHBondContact O-CG 3.46Å; K258-L262 PolarHBondContact O-N 3.49Å
259S89.1Confident86Confident71 Ų71100 Ų10050%0.49751%0.507SS..Hα-helixtrans-64.4-41175.3-173.30000111.3L255 L256 D257 L262 N263L255-S259 WeakPolarHBondContact O-CB 3.4Å; L255-S259 PolarHBondContact O-N 2.86Å; L256-S259 CarbonylContact O-C 3.58Å; L256-S259 WeakPolarHBondContact O-CA 3.43Å; L256-S259 WeakPolarHBondContact O-CB 3.33Å; L256-S259 PolarHBondContact O-N 3.1Å; L256-S259 VanDerWaalsContact O-N 3.12Å; D257-S259 VanDerWaalsContact C-N 3.32Å; D257-S259 PolarHBondContact O-N 3.27Å; S259-L262 PolarHBondContact O-N 3.39Å; S259-N263 WeakPolarHBondContact O-CB 3.49Å; S259-N263 PolarHBondContact O-N 2.95Å
260H90.8Very high86.7Confident115 Ų115102.9 Ų102.953%0.53251%0.51SS..Hα-helixtrans-63.6-46.8174.7-79.5-62.2000111.4L256 D257 K258 L262 N263 E264L256-H260 PolarHBondContact O-CD2 3.36Å; L256-H260 PolarHBondContact O-N 3.46Å; D257-H260 PolarHBondContact O-N 3.39Å; K258-H260 VanDerWaalsContact C-N 3.35Å; H260-L262 VanDerWaalsContact C-N 3.34Å; H260-L262 PolarHBondContact O-N 3.23Å; H260-N263 PolarHBondContact O-N 3.08Å; H260-N263 VanDerWaalsContact O-N 3.11Å; H260-E264 WeakPolarHBondContact O-CG 3.41Å; H260-E264 PolarHBondContact O-N 3.08Å
261Q91.6Very high87.2Confident125 Ų125105.5 Ų105.558%0.58452%0.518SS*.Hα-helixtrans-58.3-42.5176.1-72.3173.97.900112.8D257 K258 N263 E264 M265D257-Q261 WeakPolarHBondContact O-CG 3.39Å; D257-Q261 PolarHBondContact O-N 3.49Å; K258-Q261 PolarHBondContact O-N 3.45Å; Q261-N263 VanDerWaalsContact C-N 3.35Å; Q261-E264 PolarHBondContact O-N 2.99Å; Q261-M265 PolarHBondContact O-N 3.48Å
262L90.8Very high87.7Confident90 Ų90108.7 Ų108.747%0.47153%0.527SS..Hα-helixtrans-63.9-41.6175.8-77.3171.7000111.5K258 S259 H260 M265 Y266K258-L262 WeakPolarHBondContact O-CG 3.46Å; K258-L262 PolarHBondContact O-N 3.49Å; S259-L262 PolarHBondContact O-N 3.39Å; H260-L262 VanDerWaalsContact C-N 3.34Å; H260-L262 PolarHBondContact O-N 3.23Å; L262-M265 HydrophobicContact CD2-CE 3.91Å; L262-M265 PolarHBondContact O-N 3.5Å; L262-Y266 WeakPolarHBondContact O-CD2 3.35Å; L262-Y266 PolarHBondContact O-N 3.36Å
263N91Very high88.1Confident98 Ų98110.3 Ų110.352%0.52453%0.532SS..Hα-helixtrans-67.9-37.5-179.8-156.638.7000112.2S259 H260 Q261 Y266 Q267S259-N263 WeakPolarHBondContact O-CB 3.49Å; S259-N263 PolarHBondContact O-N 2.95Å; H260-N263 PolarHBondContact O-N 3.08Å; H260-N263 VanDerWaalsContact O-N 3.11Å; Q261-N263 VanDerWaalsContact C-N 3.35Å; N263-Y266 PolarHBondContact O-N 2.9Å; N263-Q267 VanDerWaalsContact O-CG 3.3Å; N263-Q267 WeakPolarHBondContact O-CG 3.48Å; N263-Q267 PolarHBondContact O-N 3.44Å
264E89.8Confident88.3Confident136 Ų136113.3 Ų113.364%0.63654%0.539SS*.Hα-helixtrans-61.6-43.9171.5-73.8176.8179.300111.6H260 Q261 Y266 Q267 K268H260-E264 WeakPolarHBondContact O-CG 3.41Å; H260-E264 PolarHBondContact O-N 3.08Å; Q261-E264 PolarHBondContact O-N 2.99Å; E264-Y266 PolarHBondContact O-N 3.46Å; E264-Q267 PolarHBondContact O-N 3.49Å; E264-K268 WeakPolarHBondContact O-CB 3.39Å; E264-K268 PolarHBondContact O-N 3.39Å
265M88.3Confident88.4Confident97 Ų97113 Ų11348%0.47854%0.543SS..Hα-helixtrans-62.5-42.1175.9-170.2-179.670.100111.6Q261 L262 K268 D269Q261-M265 PolarHBondContact O-N 3.48Å; L262-M265 HydrophobicContact CD2-CE 3.91Å; L262-M265 PolarHBondContact O-N 3.5Å; M265-K268 PolarHBondContact O-N 2.99Å; M265-D269 PolarHBondContact O-N 2.91Å
266Y85.2Confident88.4Confident150 Ų150109.7 Ų109.759%0.58853%0.534SS*.Hα-helixtrans-64.3-39.1175.3-80.3-62.8000113.2L262 N263 E264 R270L262-Y266 WeakPolarHBondContact O-CD2 3.35Å; L262-Y266 PolarHBondContact O-N 3.36Å; N263-Y266 PolarHBondContact O-N 2.9Å; E264-Y266 PolarHBondContact O-N 3.46Å; Y266-R270 WeakPolarHBondContact O-CB 3.24Å; Y266-R270 PolarHBondContact O-N 2.93Å; Y266-R270 VanDerWaalsContact O-N 3.1Å
267Q86.6Confident88.1Confident97 Ų97109.3 Ų109.345%0.45353%0.531SS..Hα-helixtrans-64-45.7174.9-73.5-86.837.300110.6N263 E264 R270 E271N263-Q267 VanDerWaalsContact O-CG 3.3Å; N263-Q267 WeakPolarHBondContact O-CG 3.48Å; N263-Q267 PolarHBondContact O-N 3.44Å; E264-Q267 PolarHBondContact O-N 3.49Å; Q267-R270 WeakPolarHBondContact O-CB 3.38Å; Q267-R270 PolarHBondContact O-N 2.9Å; Q267-R270 VanDerWaalsContact O-N 3.16Å; Q267-E271 WeakPolarHBondContact O-CG 3.27Å; Q267-E271 PolarHBondContact O-N 3.48Å
268K91.5Very high88Confident123 Ų123107.2 Ų107.254%0.53553%0.527SS..Hα-helixtrans-61.9-46.6178.7-167.6-178.1178.9-168.70112.4E264 M265 R270 E271 E272E264-K268 WeakPolarHBondContact O-CB 3.39Å; E264-K268 PolarHBondContact O-N 3.39Å; M265-K268 PolarHBondContact O-N 2.99Å; K268-R270 PolarHBondContact O-N 2.7Å; K268-E271 PolarHBondContact O-N 2.93Å; K268-E272 VanDerWaalsContact CE-OE1 3.26Å; K268-E272 WeakPolarHBondContact CE-OE1 3.34Å; K268-E272 IonicContact NZ-OE1 3.99Å; K268-E272 WeakPolarHBondContact O-CB 3.22Å; K268-E272 WeakPolarHBondContact O-CG 3.36Å; K268-E272 PolarHBondContact O-N 3.24Å
269D88.3Confident87.7Confident92 Ų92106.8 Ų106.849%0.49253%0.527SS..Hα-helixtrans-59.6-36.9175.3-85.915.2000111.8M265 H273M265-D269 PolarHBondContact O-N 2.91Å; D269-H273 WeakPolarHBondContact O-CB 3.36Å; D269-H273 PolarHBondContact O-N 2.9Å
270R86.9Confident87.3Confident174 Ų174111.2 Ų111.266%0.65753%0.533SS*.Hα-helixtrans-68.3-46.1177.3-176-178.1179.1177.8-0.1111.7Y266 Q267 K268 H273 E274Y266-R270 WeakPolarHBondContact O-CB 3.24Å; Y266-R270 PolarHBondContact O-N 2.93Å; Y266-R270 VanDerWaalsContact O-N 3.1Å; Q267-R270 WeakPolarHBondContact O-CB 3.38Å; Q267-R270 PolarHBondContact O-N 2.9Å; Q267-R270 VanDerWaalsContact O-N 3.16Å; K268-R270 PolarHBondContact O-N 2.7Å; R270-H273 PolarHBondContact O-N 2.96Å; R270-E274 PolarHBondContact O-N 3.3Å
271E89Confident86.9Confident124 Ų124110.7 Ų110.758%0.57953%0.534SS*.Hα-helixtrans-59.3-49.1175.5-73.3173.5-173.300110.5Q267 K268 H273 E274 T275Q267-E271 WeakPolarHBondContact O-CG 3.27Å; Q267-E271 PolarHBondContact O-N 3.48Å; K268-E271 PolarHBondContact O-N 2.93Å; E271-H273 VanDerWaalsContact C-N 3.32Å; E271-H273 PolarHBondContact O-N 3.18Å; E271-E274 PolarHBondContact O-N 2.9Å; E271-E274 VanDerWaalsContact O-N 3.09Å; E271-T275 PolarHBondContact O-N 3.48Å; E271-T275 PolarHBondContact O-OG1 2.91Å
272E86.6Confident86.6Confident104 Ų104110.8 Ų110.849%0.48653%0.534SS..Hα-helixtrans-56.4-45.3177.7-75.3-178.7-167.700111.6K268 E274 T275 A276K268-E272 VanDerWaalsContact CE-OE1 3.26Å; K268-E272 WeakPolarHBondContact CE-OE1 3.34Å; K268-E272 IonicContact NZ-OE1 3.99Å; K268-E272 WeakPolarHBondContact O-CB 3.22Å; K268-E272 WeakPolarHBondContact O-CG 3.36Å; K268-E272 PolarHBondContact O-N 3.24Å; E272-E274 PolarHBondContact O-N 3.05Å; E272-T275 VanDerWaalsContact CA-OG1 3.3Å; E272-T275 WeakPolarHBondContact CA-OG1 3.29Å; E272-T275 PolarHBondContact O-N 3.42Å; E272-T275 PolarHBondContact O-OG1 3.45Å; E272-A276 WeakPolarHBondContact O-CB 3.39Å; E272-A276 PolarHBondContact O-N 2.83Å
273H85.7Confident86Confident126 Ų126111.4 Ų111.458%0.58354%0.535SS*.Hα-helixtrans-65.3-37.4177.1-175.5-86.3000112.9D269 R270 E271 A276 L277D269-H273 WeakPolarHBondContact O-CB 3.36Å; D269-H273 PolarHBondContact O-N 2.9Å; R270-H273 PolarHBondContact O-N 2.96Å; E271-H273 VanDerWaalsContact C-N 3.32Å; E271-H273 PolarHBondContact O-N 3.18Å; H273-A276 PolarHBondContact O-N 2.83Å; H273-L277 VanDerWaalsContact CE1-CD1 3.44Å; H273-L277 WeakPolarHBondContact CE1-CD1 3.2Å; H273-L277 WeakPolarHBondContact O-CB 3.29Å; H273-L277 WeakPolarHBondContact O-CG 3.46Å; H273-L277 PolarHBondContact O-N 3.43Å
274E86Confident85.2Confident127 Ų127113 Ų11359%0.59354%0.537SS*.Hα-helixtrans-67.7-43.2176.4-170.5167.2-177.500111.6R270 E271 E272 L277 A278R270-E274 PolarHBondContact O-N 3.3Å; E271-E274 PolarHBondContact O-N 2.9Å; E271-E274 VanDerWaalsContact O-N 3.09Å; E272-E274 PolarHBondContact O-N 3.05Å; E274-L277 WeakPolarHBondContact O-CB 3.28Å; E274-L277 PolarHBondContact O-N 3.39Å; E274-A278 PolarHBondContact O-N 3.14Å
275T87.2Confident84.5Confident82 Ų82112.5 Ų112.550%0.50354%0.535SS..Hα-helixtrans-60.6-45.2171.827.60000112.4E271 E272 L277 A278 E279E271-T275 PolarHBondContact O-N 3.48Å; E271-T275 PolarHBondContact O-OG1 2.91Å; E272-T275 VanDerWaalsContact CA-OG1 3.3Å; E272-T275 WeakPolarHBondContact CA-OG1 3.29Å; E272-T275 PolarHBondContact O-N 3.42Å; E272-T275 PolarHBondContact O-OG1 3.45Å; T275-L277 VanDerWaalsContact C-N 3.28Å; T275-L277 PolarHBondContact O-N 3.02Å; T275-A278 PolarHBondContact O-N 3.49Å; T275-A278 VanDerWaalsContact O-N 3.15Å; T275-E279 PolarHBondContact O-N 2.77Å
276A84Confident83.5Confident55 Ų55113.3 Ų113.346%0.45554%0.54SS..Hα-helixtrans-63.1-34.8178.400000112.5E272 H273 R280E272-A276 WeakPolarHBondContact O-CB 3.39Å; E272-A276 PolarHBondContact O-N 2.83Å; H273-A276 PolarHBondContact O-N 2.83Å; A276-R280 VanDerWaalsContact O-CB 3.31Å; A276-R280 WeakPolarHBondContact O-CB 3.31Å; A276-R280 PolarHBondContact O-N 3.35Å; A276-R280 VanDerWaalsContact O-N 3.09Å
277L82.3Confident82.3Confident85 Ų85112.6 Ų112.645%0.44554%0.54SS..Hα-helixtrans-66.5-44.8172.6-85.5172.8000112H273 E274 T275 R280 L281H273-L277 VanDerWaalsContact CE1-CD1 3.44Å; H273-L277 WeakPolarHBondContact CE1-CD1 3.2Å; H273-L277 WeakPolarHBondContact O-CB 3.29Å; H273-L277 WeakPolarHBondContact O-CG 3.46Å; H273-L277 PolarHBondContact O-N 3.43Å; E274-L277 WeakPolarHBondContact O-CB 3.28Å; E274-L277 PolarHBondContact O-N 3.39Å; T275-L277 VanDerWaalsContact C-N 3.28Å; T275-L277 PolarHBondContact O-N 3.02Å; L277-R280 PolarHBondContact O-N 3.24Å; L277-L281 WeakPolarHBondContact O-CG 3.32Å; L277-L281 PolarHBondContact O-N 3.02Å
278A86.6Confident80.8Confident51 Ų51110.9 Ų110.942%0.42154%0.539SS..Hα-helixtrans-62.3-45.7178.500000111.7E274 T275 R280 L281 Q282E274-A278 PolarHBondContact O-N 3.14Å; T275-A278 PolarHBondContact O-N 3.49Å; T275-A278 VanDerWaalsContact O-N 3.15Å; A278-R280 VanDerWaalsContact C-N 3.33Å; A278-R280 PolarHBondContact O-N 2.85Å; A278-L281 PolarHBondContact O-N 2.98Å; A278-Q282 PolarHBondContact O-N 3.19Å
279E83.6Confident78.9Confident120 Ų120110.3 Ų110.356%0.56154%0.542SS*.Hα-helixtrans-59.9-42.3174.4-74.4-176.3175.900111.8T275 L281 Q282 Q283T275-E279 PolarHBondContact O-N 2.77Å; E279-L281 VanDerWaalsContact C-N 3.32Å; E279-L281 PolarHBondContact O-N 3.26Å; E279-Q282 PolarHBondContact O-N 2.78Å; E279-Q283 WeakPolarHBondContact O-CB 3.33Å; E279-Q283 WeakPolarHBondContact O-CG 3.45Å; E279-Q283 PolarHBondContact O-N 3.37Å
280R80.4Confident77.1Confident164 Ų164112 Ų11262%0.61955%0.551SS**Hα-helixtrans-66.9-33.9178.3-167.2175.8-173.5179.62.6112.4A276 L277 A278 K284A276-R280 VanDerWaalsContact O-CB 3.31Å; A276-R280 WeakPolarHBondContact O-CB 3.31Å; A276-R280 PolarHBondContact O-N 3.35Å; A276-R280 VanDerWaalsContact O-N 3.09Å; L277-R280 PolarHBondContact O-N 3.24Å; A278-R280 VanDerWaalsContact C-N 3.33Å; A278-R280 PolarHBondContact O-N 2.85Å; R280-K284 WeakPolarHBondContact O-CG 3.46Å; R280-K284 PolarHBondContact O-N 3.44Å; R280-K284 VanDerWaalsContact O-N 3.15Å
281L83.4Confident75.2Confident105 Ų105111.1 Ų111.155%0.5555%0.552SS.*Hα-helixtrans-69.4-44.1173.8-77.3168.5000111.3L277 A278 E279 K284 Q285L277-L281 WeakPolarHBondContact O-CG 3.32Å; L277-L281 PolarHBondContact O-N 3.02Å; A278-L281 PolarHBondContact O-N 2.98Å; E279-L281 VanDerWaalsContact C-N 3.32Å; E279-L281 PolarHBondContact O-N 3.26Å; L281-K284 WeakPolarHBondContact O-CB 3.36Å; L281-K284 PolarHBondContact O-N 2.85Å; L281-Q285 WeakPolarHBondContact O-CG 3.28Å; L281-Q285 PolarHBondContact O-N 2.97Å
282Q84.8Confident73Confident126 Ų126113.6 Ų113.659%0.58956%0.563SS**Hα-helixtrans-61.3-45.1174.1-77-173.8-8.900112.2A278 E279 K284 Q285 L286A278-Q282 PolarHBondContact O-N 3.19Å; E279-Q282 PolarHBondContact O-N 2.78Å; Q282-K284 PolarHBondContact O-N 2.87Å; Q282-Q285 PolarHBondContact O-N 2.89Å; Q282-Q285 VanDerWaalsContact O-N 3.09Å; Q282-L286 WeakPolarHBondContact O-CG 3.38Å; Q282-L286 PolarHBondContact O-N 3.12Å
283Q79.3Confident70.9Confident104 Ų104113.7 Ų113.749%0.48658%0.575SS.*Hα-helixtrans-61.6-31.8175.7-76.3-174.516.800112.8E279 K287E279-Q283 WeakPolarHBondContact O-CB 3.33Å; E279-Q283 WeakPolarHBondContact O-CG 3.45Å; E279-Q283 PolarHBondContact O-N 3.37Å; Q283-K287 WeakPolarHBondContact O-CB 3.27Å; Q283-K287 WeakPolarHBondContact O-CD 3.44Å; Q283-K287 WeakPolarHBondContact O-CG 3.32Å; Q283-K287 PolarHBondContact O-N 3Å; Q283-K287 VanDerWaalsContact O-N 3.11Å
284K74.5Confident68.7Low132 Ų132111.4 Ų111.457%0.57457%0.574SS**Hα-helixtrans-70.2-38.5174-81.1-177.7177.2-173.90111.9R280 L281 Q282 K287 S288R280-K284 WeakPolarHBondContact O-CG 3.46Å; R280-K284 PolarHBondContact O-N 3.44Å; R280-K284 VanDerWaalsContact O-N 3.15Å; L281-K284 WeakPolarHBondContact O-CB 3.36Å; L281-K284 PolarHBondContact O-N 2.85Å; Q282-K284 PolarHBondContact O-N 2.87Å; K284-K287 PolarHBondContact O-N 3.49Å; K284-S288 PolarHBondContact O-N 2.99Å; K284-S288 PolarHBondContact O-OG 2.79Å
285Q73.3Confident66.6Low124 Ų124113 Ų11358%0.57959%0.586SS**Hα-helixtrans-65.5-45.6176.3-69.8177.210.300111.4L281 Q282 K287 S288 D289L281-Q285 WeakPolarHBondContact O-CG 3.28Å; L281-Q285 PolarHBondContact O-N 2.97Å; Q282-Q285 PolarHBondContact O-N 2.89Å; Q282-Q285 VanDerWaalsContact O-N 3.09Å; Q285-K287 VanDerWaalsContact C-N 3.3Å; Q285-K287 PolarHBondContact O-N 3.45Å; Q285-S288 WeakPolarHBondContact CA-OG 3.42Å; Q285-S288 PolarHBondContact O-N 3.27Å; Q285-S288 VanDerWaalsContact O-N 3.11Å; Q285-S288 PolarHBondContact O-OG 2.66Å; Q285-D289 PolarHBondContact O-N 3.16Å
286L68Low64.3Low114 Ų114116.1 Ų116.160%0.59760%0.599SS**Hα-helixtrans-62-37.5175.7-67.4168.9000112.2Q282 D290Q282-L286 WeakPolarHBondContact O-CG 3.38Å; Q282-L286 PolarHBondContact O-N 3.12Å; L286-D290 PolarHBondContact O-N 3.47Å
287K59.8Low62.1Low135 Ų135119.8 Ų119.859%0.58761%0.611SS**Hα-helixtrans-75.4-19.1176.1-73.1173.7-177.3174.40114.2Q283 K284 Q285 K291Q283-K287 WeakPolarHBondContact O-CB 3.27Å; Q283-K287 WeakPolarHBondContact O-CD 3.44Å; Q283-K287 WeakPolarHBondContact O-CG 3.32Å; Q283-K287 PolarHBondContact O-N 3Å; Q283-K287 VanDerWaalsContact O-N 3.11Å; K284-K287 PolarHBondContact O-N 3.49Å; Q285-K287 VanDerWaalsContact C-N 3.3Å; Q285-K287 PolarHBondContact O-N 3.45Å; K287-K291 WeakPolarHBondContact O-CG 3.46Å
288S56Low60.1Low61 Ų61123.4 Ų123.443%0.42763%0.63SS.*Hα-helixtrans-84.1-32.1172.450.40000112.1K284 Q285 K291K284-S288 PolarHBondContact O-N 2.99Å; K284-S288 PolarHBondContact O-OG 2.79Å; Q285-S288 WeakPolarHBondContact CA-OG 3.42Å; Q285-S288 PolarHBondContact O-N 3.27Å; Q285-S288 VanDerWaalsContact O-N 3.11Å; Q285-S288 PolarHBondContact O-OG 2.66Å; S288-K291 PolarHBondContact O-N 3.43Å
289D51.1Low57.7Low111 Ų111128.5 Ų128.559%0.59465%0.65SS**Hα-helixtrans-73.4-35.9177.6-69.4-9.7000111.6Q285 K291Q285-D289 PolarHBondContact O-N 3.16Å; D289-K291 PolarHBondContact O-N 3.32Å
290D49.5Very low55.8Low127 Ų127131.3 Ų131.368%0.67966%0.661SS**THydrogen-bonded Turntrans-74.3-9.1174.9-84.7-19.1000114.3L286L286-D290 PolarHBondContact O-N 3.47Å
291K48Very low53.9Low156 Ų156130.2 Ų130.268%0.67867%0.666SS**THydrogen-bonded Turntrans-105.74-179.2-75.8-162174.6-153.30114.8K287 S288 D289K287-K291 WeakPolarHBondContact O-CG 3.46Å; S288-K291 PolarHBondContact O-N 3.43Å; D289-K291 PolarHBondContact O-N 3.32Å
292Q43.7Very low52.1Low176 Ų176133.5 Ų133.582%0.82268%0.678SS**SBendtrans-92.74.1174.9-76.3-166-28.700114.5
293S41.6Very low49.8Very low106 Ų106136.3 Ų136.374%0.74169%0.691SS**SBendtrans-1206.5-17859.40000115.6
294S39.6Very low48.1Very low79 Ų79137.6 Ų137.655%0.55270%0.702SS**  trans-146.766.5-177.972.10000113.6
295D41Very low46.3Very low160 Ų160139 Ų13986%0.85671%0.71SS**  trans-147.558.6160.5-82.9-36.9000108.5
296I39.2Very low44.8Very low148 Ų148138 Ų13876%0.75972%0.717SS**SBendtrans-120121.4162.2-64.1173.9000104.9
297D37.9Very low43.6Very low132 Ų132141.8 Ų141.871%0.70673%0.729SS**  trans70.7102.4169.7-54.4-26.2000117.5
298N41.1Very low42.4Very low161 Ų161141.4 Ų141.486%0.86174%0.74SS**  -177.192.8112.1-88.6-43.3000111.5K300N298-K300 PolarHBondContact O-N 3.36Å
299D36.6Very low41.5Very low157 Ų157143.6 Ų143.684%0.8476%0.755SS**  trans-53.8112.6142-83.4-34.7000108
300K42.2Very low40.9Very low180 Ų180145.2 Ų145.278%0.78376%0.764SS**  trans164.8121141-91.8164.2-173.4-178.80113.5N298N298-K300 PolarHBondContact O-N 3.36Å
301I40.8Very low40.2Very low140 Ų140144.3 Ų144.372%0.71877%0.768SS**  trans70.7103.4134.1-46.4162.1000116.3
302E45.6Very low39.9Very low175 Ų175146.8 Ų146.882%0.81878%0.778SS**  175.6106.9104.5-86.2-166178.200111.2N304E302-N304 PolarHBondContact O-N 3.2Å
303E37.4Very low39.7Very low184 Ų184149.9 Ų149.986%0.8678%0.782SS**  trans-61.6114.6162-179.2178.4-147.300109.1
304N42.7Very low39.7Very low132 Ų132149.2 Ų149.271%0.70678%0.778SS**  trans-168.3113.8152.3-95.7-41.9000113.7E302E302-N304 PolarHBondContact O-N 3.2Å
305Q37.4Very low39.9Very low160 Ų160155 Ų15575%0.74879%0.793SS**  trans92.4101.5137.5-58.8-174.116.700121.3
306S41.5Very low40.1Very low105 Ų105154.7 Ų154.773%0.73479%0.791SS**  76.2131.4128.673.80000117.8
307K42.1Very low40.4Very low192 Ų192156 Ų15684%0.83579%0.791SS**  cis-162.3138.43.4-103167-177.41780106
308P35.5Very low40.9Very low128 Ų128158.5 Ų158.583%0.83180%0.798SS**  trans-101.3118.3167.233.5-22.7000110.1
309S37.8Very low41.4Very low106 Ų106161.7 Ų161.774%0.74180%0.798SS**  trans-170.2143.815354.50000113.6
310D38.2Very low42.3Very low146 Ų146160.1 Ų160.178%0.78180%0.797SS**  trans83.174.6156.5-62.8-26.3000120.9
311S34Very low43.3Very low107 Ų107159.2 Ų159.275%0.74880%0.799SS**  24.7101.9107-1790000115.6
312K42.2Very low44.1Very low208 Ų208158.2 Ų158.290%0.90480%0.802SS**  trans173.864.7130.9-73.5-147.2-170.71650108.8
313R39.7Very low44.8Very low241 Ų241161.7 Ų161.791%0.90981%0.808SS**  trans-123.7120.9171.3-137.3173-176.4-173.40109.9
314S41.1Very low45.6Very low92 Ų92164.9 Ų164.964%0.64383%0.829SS**  trans54.787.2166.165.20000117.9L316S314-L316 PolarHBondContact O-N 3.48Å
315K43.4Very low45.8Very low200 Ų200166.5 Ų166.587%0.8784%0.835SS**  trans-81.171140.6-71.3-158.8179.3-177.60109K317K315-K317 PolarHBondContact O-N 3.37Å
316L45.1Very low46.2Very low154 Ų154166.8 Ų166.881%0.80684%0.84SS**  trans-71.782.2156.7-100.1151.4000106.2S314 Q318S314-L316 PolarHBondContact O-N 3.48Å; L316-Q318 VanDerWaalsContact C-N 3.27Å; L316-Q318 PolarHBondContact O-N 3.2Å
317K47.4Very low46.5Very low175 Ų175170.3 Ų170.376%0.76185%0.846SS**  trans-68.895.9161.3-77.8-165.7174-170.30106.2K315 R319K315-K317 PolarHBondContact O-N 3.37Å; K317-R319 PolarHBondContact O-N 2.91Å
318Q47.2Very low46.7Very low186 Ų186169 Ų16987%0.86985%0.846SS**  trans-49.2106.3159.3-79.4177.6-25.800107.3L316L316-Q318 VanDerWaalsContact C-N 3.27Å; L316-Q318 PolarHBondContact O-N 3.2Å
319R52.4Low47.4Very low228 Ų228171.6 Ų171.686%0.8685%0.847SS**PPolyproline II helixtrans-75131164.8-80.2-178.8167.2176.5-3.6106.6K317 L321K317-R319 PolarHBondContact O-N 2.91Å; R319-L321 PolarHBondContact O-N 3.33Å
320P54.7Low48.1Very low124 Ų124175.9 Ų175.981%0.80586%0.855SS**PPolyproline II helixtrans-65.5131.1173.228.8-31.7000108.3
321L62.9Low48.8Very low160 Ų160178.1 Ų178.184%0.83886%0.86SS**PPolyproline II helixtrans-61.5144170.7-74.2161.2000109.3R319R319-L321 PolarHBondContact O-N 3.33Å
322P58.9Low49.9Very low119 Ų119183.5 Ų183.577%0.77387%0.868SS**PPolyproline II helixtrans-64.4138.9173.22.111.7000109
323R59.6Low50.6Low248 Ų248181.5 Ų181.594%0.93687%0.865SS**PPolyproline II helixtrans-64.7140.9167.5-73.8-178.7175.4169.7-2.2108.9
324L54.7Low51.6Low251 Ų251176.1 Ų176.1100%1.31486%0.861SS**  trans-41.40-177.6-77.8156.6000114.6

Retrieved 324 of 324 residues in 48.3 ms (Link to these results)