A0A096N8D3_PAPAN Loading...

Mitochondrial fission regulator

May play a role in mitochondrial aerobic respiration. May also regulate mitochondrial organization and fission. Plays a role in mitochondrial aerobic respiration. Regulates mitochondrial organization and fission.

AlphaFold DB , UniProt , Accession A0A096N8D3, Species PAPAN (Papio anubis, Olive baboon), Gene MTFR1, Length 333 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
1M67.3Low81Confident198 Ų198132.8 Ų132.898%0.97562%0.624SS**  0-59.40-63.5-57.6-97.800113.3G3 W4M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 3.44Å; M1-W4 PolarHBondContact O-N 3.28Å
2L74.4Confident80.6Confident131 Ų131128.3 Ų128.369%0.68661%0.612SS**Hα-helixtrans-61.3-32.7-176.2-88.772000115.6W4 I5 K6L2-W4 VanDerWaalsContact C-N 3.29Å; L2-W4 PolarHBondContact O-N 3.15Å; L2-I5 PolarHBondContact O-N 2.71Å; L2-K6 PolarHBondContact O-N 3.01Å
3G80.6Confident80Confident52 Ų52130.4 Ų130.454%0.53662%0.617SS.*Hα-helixtrans-65.5-31.7179.300000113.6M1 R7M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 3.44Å; G3-R7 PolarHBondContact O-N 3.14Å; G3-R7 VanDerWaalsContact O-N 3.16Å
4W86.3Confident79.4Confident192 Ų192131 Ų13173%0.72762%0.619SS**Hα-helixtrans-74.5-40.3178.8-147.473.6000111M1 L2 K6 R7 L8M1-W4 PolarHBondContact O-N 3.28Å; L2-W4 VanDerWaalsContact C-N 3.29Å; L2-W4 PolarHBondContact O-N 3.15Å; W4-K6 PolarHBondContact O-N 2.92Å; W4-R7 PolarHBondContact O-N 3.42Å; W4-L8 WeakPolarHBondContact O-CB 3.42Å; W4-L8 PolarHBondContact O-N 2.85Å
5I86.8Confident78.4Confident92 Ų92132.1 Ų132.147%0.47262%0.623SS.*Hα-helixtrans-61.1-43.9173.3-66.4160.4000111L2 R7 L8 I9L2-I5 PolarHBondContact O-N 2.71Å; I5-R7 VanDerWaalsContact C-N 3.32Å; I5-R7 PolarHBondContact O-N 3.14Å; I5-L8 PolarHBondContact O-N 3.39Å; I5-I9 HydrophobicContact CG2-CD1 3.71Å; I5-I9 HydrophobicContact CG2-CG1 4.38Å; I5-I9 VanDerWaalsContact O-CG1 3.29Å; I5-I9 WeakPolarHBondContact O-CG1 3.34Å; I5-I9 PolarHBondContact O-N 3.29Å
6K85.3Confident77.2Confident144 Ų144128.2 Ų128.263%0.62661%0.611SS**Hα-helixtrans-63.2-35175.5-77.3-174.7176.6-179.10113L2 W4 R10L2-K6 PolarHBondContact O-N 3.01Å; W4-K6 PolarHBondContact O-N 2.92Å; K6-R10 WeakPolarHBondContact O-CB 3.41Å; K6-R10 PolarHBondContact O-N 3.34Å
7R81.9Confident76Confident183 Ų183122.4 Ų122.469%0.69159%0.593SS**Hα-helixtrans-71.2-40.9174.2-82.9-176-175.2166.42.4111.8G3 W4 I5 R10 M11G3-R7 PolarHBondContact O-N 3.14Å; G3-R7 VanDerWaalsContact O-N 3.16Å; W4-R7 PolarHBondContact O-N 3.42Å; I5-R7 VanDerWaalsContact C-N 3.32Å; I5-R7 PolarHBondContact O-N 3.14Å; R7-R10 PolarHBondContact O-N 3.04Å; R7-M11 WeakPolarHBondContact O-CB 3.35Å; R7-M11 PolarHBondContact O-N 3.38Å
8L86.3Confident74.8Confident80 Ų80120.3 Ų120.342%0.41959%0.588SS.*Hα-helixtrans-62.9-47.8177.6-171.567.5000111.3W4 I5 R10 M11 V12W4-L8 WeakPolarHBondContact O-CB 3.42Å; W4-L8 PolarHBondContact O-N 2.85Å; I5-L8 PolarHBondContact O-N 3.39Å; L8-R10 VanDerWaalsContact C-N 3.31Å; L8-R10 PolarHBondContact O-N 2.87Å; L8-M11 HydrophobicContact CD1-CE 3.8Å; L8-M11 PolarHBondContact O-N 3.45Å; L8-V12 WeakPolarHBondContact O-CG2 3.35Å; L8-V12 PolarHBondContact O-N 3.4Å
9I80.3Confident73.8Confident93 Ų93117.4 Ų117.448%0.47758%0.581SS.*Hα-helixtrans-60.3-42.4176.4-66.4166.2000110.8I5 M11 V12 F13I5-I9 HydrophobicContact CG2-CD1 3.71Å; I5-I9 HydrophobicContact CG2-CG1 4.38Å; I5-I9 VanDerWaalsContact O-CG1 3.29Å; I5-I9 WeakPolarHBondContact O-CG1 3.34Å; I5-I9 PolarHBondContact O-N 3.29Å; I9-M11 PolarHBondContact O-N 3.21Å; I9-V12 PolarHBondContact O-N 3.12Å; I9-F13 HydrophobicContact CG2-CD2 4Å; I9-F13 HydrophobicContact CG2-CE2 4.41Å; I9-F13 WeakPolarHBondContact O-CB 3.49Å; I9-F13 PolarHBondContact O-N 3.49Å
10R79.3Confident72.6Confident179 Ų179117.1 Ų117.168%0.67558%0.58SS**Hα-helixtrans-64.2-40.1177.6-167.7-171-46.5-160.61.2112.2K6 R7 L8 F13 H14K6-R10 WeakPolarHBondContact O-CB 3.41Å; K6-R10 PolarHBondContact O-N 3.34Å; R7-R10 PolarHBondContact O-N 3.04Å; L8-R10 VanDerWaalsContact C-N 3.31Å; L8-R10 PolarHBondContact O-N 2.87Å; R10-F13 PolarHBondContact O-N 3.15Å; R10-H14 WeakPolarHBondContact O-CB 3.42Å; R10-H14 PolarHBondContact O-N 3.03Å
11M82.4Confident71.5Confident117 Ų117118.6 Ų118.658%0.57659%0.585SS**Hα-helixtrans-68-41.9178.8-171.2169.248.900111.1R7 L8 I9 H14 Q15R7-M11 WeakPolarHBondContact O-CB 3.35Å; R7-M11 PolarHBondContact O-N 3.38Å; L8-M11 HydrophobicContact CD1-CE 3.8Å; L8-M11 PolarHBondContact O-N 3.45Å; I9-M11 PolarHBondContact O-N 3.21Å; M11-H14 PolarHBondContact O-N 3.38Å; M11-Q15 WeakPolarHBondContact O-CB 3.48Å; M11-Q15 PolarHBondContact O-N 2.95Å
12V76.1Confident70.8Confident79 Ų79113.7 Ų113.748%0.47957%0.571SS.*Hα-helixtrans-64.3-44174175.60000111.1L8 I9 H14 Q15 V16L8-V12 WeakPolarHBondContact O-CG2 3.35Å; L8-V12 PolarHBondContact O-N 3.4Å; I9-V12 PolarHBondContact O-N 3.12Å; V12-H14 VanDerWaalsContact C-N 3.31Å; V12-H14 PolarHBondContact O-N 3.1Å; V12-Q15 PolarHBondContact O-N 3.44Å; V12-V16 HydrophobicContact CG1-CG2 4.33Å; V12-V16 WeakPolarHBondContact O-CB 3.5Å; V12-V16 VanDerWaalsContact O-CG2 3.29Å; V12-V16 WeakPolarHBondContact O-CG2 3.2Å; V12-V16 PolarHBondContact O-N 3.22Å
13F72.8Confident69.8Low155 Ų155112.2 Ų112.268%0.6857%0.567SS**Hα-helixtrans-65.1-33.1176.1-102.8-86.6000113I9 R10 G17I9-F13 HydrophobicContact CG2-CD2 4Å; I9-F13 HydrophobicContact CG2-CE2 4.41Å; I9-F13 WeakPolarHBondContact O-CB 3.49Å; I9-F13 PolarHBondContact O-N 3.49Å; R10-F13 PolarHBondContact O-N 3.15Å; F13-G17 WeakPolarHBondContact O-CA 3.41Å; F13-G17 PolarHBondContact O-N 3.34Å
14H72.1Confident68.6Low139 Ų139114.7 Ų114.764%0.64457%0.567SS**Hα-helixtrans-70.3-43175.2-161.863.3000111.2R10 M11 V12 V16 G17 V18R10-H14 WeakPolarHBondContact O-CB 3.42Å; R10-H14 PolarHBondContact O-N 3.03Å; M11-H14 PolarHBondContact O-N 3.38Å; V12-H14 VanDerWaalsContact C-N 3.31Å; V12-H14 PolarHBondContact O-N 3.1Å; H14-V16 PolarHBondContact O-N 3.46Å; H14-G17 PolarHBondContact O-N 3.12Å; H14-V18 VanDerWaalsContact O-CG2 3.31Å; H14-V18 WeakPolarHBondContact O-CG2 3.29Å; H14-V18 PolarHBondContact O-N 3.43Å
15Q64Low66.9Low147 Ų147114 Ų11469%0.68757%0.565SS**Hα-helixtrans-61.4-43.1175.8-157.883.315.800111.9M11 V12M11-Q15 WeakPolarHBondContact O-CB 3.48Å; M11-Q15 PolarHBondContact O-N 2.95Å; V12-Q15 PolarHBondContact O-N 3.44Å
16V59.8Low65.3Low70 Ų70113.3 Ų113.342%0.42457%0.568SS.*Hα-helixtrans-77.5-39-179.61760000111.4V12 H14 V18 S19 M20V12-V16 HydrophobicContact CG1-CG2 4.33Å; V12-V16 WeakPolarHBondContact O-CB 3.5Å; V12-V16 VanDerWaalsContact O-CG2 3.29Å; V12-V16 WeakPolarHBondContact O-CG2 3.2Å; V12-V16 PolarHBondContact O-N 3.22Å; H14-V16 PolarHBondContact O-N 3.46Å; V16-V18 VanDerWaalsContact C-N 3.32Å; V16-V18 PolarHBondContact O-N 3.25Å; V16-S19 PolarHBondContact O-N 3.41Å; V16-S19 VanDerWaalsContact O-N 3.1Å; V16-S19 PolarHBondContact O-OG 3.49Å; V16-M20 HydrophobicContact CG1-CG 4.18Å; V16-M20 HydrophobicContact CG1-SD 4.36Å; V16-M20 WeakPolarHBondContact O-CG 3.3Å; V16-M20 PolarHBondContact O-N 3.25Å
17G55.6Low63.8Low30 Ų30116.4 Ų116.431%0.30958%0.576SS.*Hα-helixtrans-61.7-35.2-179.500000113.8F13 H14 Q21F13-G17 WeakPolarHBondContact O-CA 3.41Å; F13-G17 PolarHBondContact O-N 3.34Å; H14-G17 PolarHBondContact O-N 3.12Å; G17-Q21 PolarHBondContact O-N 2.95Å
18V56Low62.7Low84 Ų84114.4 Ų114.451%0.50957%0.572SS.*Hα-helixtrans-72.1-33.5175.31780000111.6H14 V16H14-V18 VanDerWaalsContact O-CG2 3.31Å; H14-V18 WeakPolarHBondContact O-CG2 3.29Å; H14-V18 PolarHBondContact O-N 3.43Å; V16-V18 VanDerWaalsContact C-N 3.32Å; V16-V18 PolarHBondContact O-N 3.25Å
19S55Low61.2Low65 Ų65115.8 Ų115.846%0.45559%0.586SS.*Hα-helixtrans-72.5-34.3176.680.80000113V16 V23V16-S19 PolarHBondContact O-N 3.41Å; V16-S19 VanDerWaalsContact O-N 3.1Å; V16-S19 PolarHBondContact O-OG 3.49Å; S19-V23 WeakPolarHBondContact O-CG2 3.46Å
20M49.4Very low60.1Low112 Ų112121.1 Ų121.155%0.55260%0.601SS**Hα-helixtrans-76.2-33.4-178.4-65.8-154.687.700112.8V16 L24V16-M20 HydrophobicContact CG1-CG 4.18Å; V16-M20 HydrophobicContact CG1-SD 4.36Å; V16-M20 WeakPolarHBondContact O-CG 3.3Å; V16-M20 PolarHBondContact O-N 3.25Å; M20-L24 WeakPolarHBondContact O-CB 3.49Å; M20-L24 WeakPolarHBondContact O-CD1 3.33Å; M20-L24 WeakPolarHBondContact O-CG 3.16Å; M20-L24 PolarHBondContact O-N 2.85Å
21Q49.2Very low59.4Low149 Ų149114.3 Ų114.370%0.69659%0.587SS**Hα-helixtrans-69.4-33.5177.5-73-176.5-0.100112.8G17G17-Q21 PolarHBondContact O-N 2.95Å
22S54.3Low58.1Low95 Ų95112.2 Ų112.266%0.66458%0.583SS**Hα-helixtrans-73.3-29.2178.1-690000113.5
23V53Low57.2Low99 Ų99112.6 Ų112.660%0.659%0.59SS**Hα-helixtrans-86.4-18.1-179.71790000112.7S19 K39S19-V23 WeakPolarHBondContact O-CG2 3.46Å; V23-K39 PolarHBondContact O-NZ 3.15Å
24L53.9Low57Low104 Ų104112.9 Ų112.955%0.54559%0.586SS.*Hα-helixtrans-90.8-14.4-174.9-80.8165.5000115.2M20M20-L24 WeakPolarHBondContact O-CB 3.49Å; M20-L24 WeakPolarHBondContact O-CD1 3.33Å; M20-L24 WeakPolarHBondContact O-CG 3.16Å; M20-L24 PolarHBondContact O-N 2.85Å
25W51.3Low57.2Low179 Ų179108.9 Ų108.968%0.67857%0.574SS**  trans-142.646.7-171.9-55.192.6000115.6R27W25-R27 HydrophobicContact CE3-CG 4.48Å; W25-R27 PolarHBondContact O-N 2.82Å
26S53.4Low57.9Low77 Ų77107.9 Ų107.954%0.53857%0.572SS.*  trans-6977.8148.61590000107.6K28S26-K28 VanDerWaalsContact C-N 3.25Å; S26-K28 PolarHBondContact O-N 2.83Å; S26-K28 PolarHBondContact OG-NZ 2.57Å
27R53Low59Low209 Ų209109.9 Ų109.979%0.78958%0.584SS**  trans-73.273.2-173.1-152.2-177.5-163.1-147.85.8109.9W25W25-R27 HydrophobicContact CE3-CG 4.48Å; W25-R27 PolarHBondContact O-N 2.82Å
28K59.3Low60Low140 Ų140115.7 Ų115.761%0.60960%0.597SS**  trans-75.4126.8159.8-79.7111.9-178.4177.80107.9S26 Y30S26-K28 VanDerWaalsContact C-N 3.25Å; S26-K28 PolarHBondContact O-N 2.83Å; S26-K28 PolarHBondContact OG-NZ 2.57Å; K28-Y30 PolarHBondContact O-N 3.04Å
29P55.3Low61Low110 Ų110115.2 Ų115.271%0.71459%0.588SS**SBendtrans-76.112.5-172.532.1-36.3000113.6R34P29-R34 PolarHBondContact O-NH2 3.05Å
30Y58Low62.2Low205 Ų205117 Ų11780%0.80459%0.591SS**SBendtrans-168.8149.2169.7-151.8-110.7000111.6K28K28-Y30 PolarHBondContact O-N 3.04Å
31G62.7Low63.6Low36 Ų36113.1 Ų113.137%0.37158%0.58SS.*SBendtrans121.1-171.9169.500000117.4S33 R34G31-S33 PolarHBondContact O-N 3.21Å; G31-R34 WeakPolarHBondContact O-CG 3.34Å; G31-R34 PolarHBondContact O-N 2.71Å; G31-R34 VanDerWaalsContact O-N 3.15Å
32S56.7Low64.6Low72 Ų72110.7 Ų110.750%0.50358%0.576SS.*G310 helixtrans-49.6-17-170.5-175.90000116.1R34 R38S32-R34 VanDerWaalsContact C-N 3.32Å; S32-R34 PolarHBondContact O-N 3.36Å; S32-R38 VanDerWaalsContact OG-CD 3.29Å; S32-R38 WeakPolarHBondContact OG-CD 3.2Å; S32-R38 PolarHBondContact OG-NE 3Å
33S57.3Low65.6Low88 Ų88112.3 Ų112.362%0.61558%0.577SS**G310 helixtrans-82.5-1-178.4-46.10000114.6G31G31-S33 PolarHBondContact O-N 3.21Å
34R68.9Low66.8Low160 Ų160112.2 Ų112.260%0.60457%0.572SS**G310 helixtrans-83.4-30.2-179.9-64.2-176.2177.1-72.19114.1P29 G31 S32 I36P29-R34 PolarHBondContact O-NH2 3.05Å; G31-R34 WeakPolarHBondContact O-CG 3.34Å; G31-R34 PolarHBondContact O-N 2.71Å; G31-R34 VanDerWaalsContact O-N 3.15Å; S32-R34 VanDerWaalsContact C-N 3.32Å; S32-R34 PolarHBondContact O-N 3.36Å; R34-I36 PolarHBondContact O-N 3.06Å
35S76.1Confident67.6Low55 Ų55113.4 Ų113.439%0.38559%0.589SS.*  trans-84.4112.2179.7172.20000109.3V37 R38 K39S35-V37 PolarHBondContact O-N 3.07Å; S35-V37 PolarHBondContact OG-N 2.97Å; S35-R38 PolarHBondContact O-N 3.09Å; S35-R38 VanDerWaalsContact O-N 3.12Å; S35-R38 PolarHBondContact OG-N 3.49Å; S35-K39 PolarHBondContact O-N 3.14Å
36I78.8Confident68.6Low126 Ų126110.5 Ų110.565%0.64659%0.587SS**Hα-helixtrans-57.5-36.4173.1-168.9149.8000111.1R34 K39 I40R34-I36 PolarHBondContact O-N 3.06Å; I36-K39 PolarHBondContact O-N 3.49Å; I36-I40 HydrophobicContact CG1-CD1 3.97Å; I36-I40 HydrophobicContact CG1-CG1 4.47Å; I36-I40 VanDerWaalsContact O-CG1 3.28Å; I36-I40 WeakPolarHBondContact O-CG1 3.49Å; I36-I40 PolarHBondContact O-N 3.46Å
37V82.2Confident69.5Low112 Ų112114.3 Ų114.368%0.67960%0.599SS**Hα-helixtrans-61.8-46.7175-178.80000111S35 I40 G41S35-V37 PolarHBondContact O-N 3.07Å; S35-V37 PolarHBondContact OG-N 2.97Å; V37-I40 PolarHBondContact O-N 2.93Å; V37-G41 PolarHBondContact O-N 3.11Å
38R75.9Confident70.4Confident152 Ų152113.2 Ų113.257%0.57460%0.603SS**Hα-helixtrans-68.6-34.5177.7-163.8174.5-176.2100.11.8112.1S32 S35 G41 T42S32-R38 VanDerWaalsContact OG-CD 3.29Å; S32-R38 WeakPolarHBondContact OG-CD 3.2Å; S32-R38 PolarHBondContact OG-NE 3Å; S35-R38 PolarHBondContact O-N 3.09Å; S35-R38 VanDerWaalsContact O-N 3.12Å; S35-R38 PolarHBondContact OG-N 3.49Å; R38-G41 PolarHBondContact O-N 3.31Å; R38-T42 WeakPolarHBondContact O-CB 3.48Å; R38-T42 VanDerWaalsContact O-CG2 3.3Å; R38-T42 WeakPolarHBondContact O-CG2 3.46Å; R38-T42 PolarHBondContact O-N 3.31Å; R38-T42 PolarHBondContact O-OG1 3.27Å
39K77.7Confident70.5Confident74 Ų74111.8 Ų111.832%0.32261%0.61SS.*Hα-helixtrans-65.1-47.2174.8-169.5177.2-179.3-1790110.6V23 S35 I36 T42 N43V23-K39 PolarHBondContact O-NZ 3.15Å; S35-K39 PolarHBondContact O-N 3.14Å; I36-K39 PolarHBondContact O-N 3.49Å; K39-T42 PolarHBondContact O-N 3.31Å; K39-T42 PolarHBondContact O-OG1 2.98Å; K39-N43 PolarHBondContact O-N 3.11Å; K39-N43 PolarHBondContact O-ND2 3.22Å
40I80.4Confident71.5Confident102 Ų102112.4 Ų112.452%0.52361%0.614SS.*Hα-helixtrans-62.1-49175-65.8164.9000109.6I36 V37 T42 N43 L44I36-I40 HydrophobicContact CG1-CD1 3.97Å; I36-I40 HydrophobicContact CG1-CG1 4.47Å; I36-I40 VanDerWaalsContact O-CG1 3.28Å; I36-I40 WeakPolarHBondContact O-CG1 3.49Å; I36-I40 PolarHBondContact O-N 3.46Å; V37-I40 PolarHBondContact O-N 2.93Å; I40-T42 VanDerWaalsContact C-N 3.29Å; I40-T42 PolarHBondContact O-N 3.04Å; I40-N43 PolarHBondContact O-N 3.24Å; I40-L44 WeakPolarHBondContact O-CG 3.32Å; I40-L44 PolarHBondContact O-N 3.03Å
41G77.8Confident72.3Confident32 Ų32113.6 Ų113.633%0.3362%0.617SS.*Hα-helixtrans-61.3-29.2-179.400000115.3V37 R38V37-G41 PolarHBondContact O-N 3.11Å; R38-G41 PolarHBondContact O-N 3.31Å
42T71.5Confident72.8Confident98 Ų98116.9 Ų116.960%0.60163%0.63SS**Hα-helixtrans-83.1-17.3175.546.20000113.9R38 K39 I40R38-T42 WeakPolarHBondContact O-CB 3.48Å; R38-T42 VanDerWaalsContact O-CG2 3.3Å; R38-T42 WeakPolarHBondContact O-CG2 3.46Å; R38-T42 PolarHBondContact O-N 3.31Å; R38-T42 PolarHBondContact O-OG1 3.27Å; K39-T42 PolarHBondContact O-N 3.31Å; K39-T42 PolarHBondContact O-OG1 2.98Å; I40-T42 VanDerWaalsContact C-N 3.29Å; I40-T42 PolarHBondContact O-N 3.04Å
43N74.2Confident73.6Confident128 Ų128122.1 Ų122.168%0.68465%0.646SS**Hα-helixtrans-88.6-11.7172.3-76.6-81.7000112.6K39 I40K39-N43 PolarHBondContact O-N 3.11Å; K39-N43 PolarHBondContact O-ND2 3.22Å; I40-N43 PolarHBondContact O-N 3.24Å
44L78.8Confident74.3Confident97 Ų97126 Ų12651%0.50865%0.652SS.*SBendtrans-74.3136.2169.6-60.8175.1000108.6I40 L46I40-L44 WeakPolarHBondContact O-CG 3.32Å; I40-L44 PolarHBondContact O-N 3.03Å; L44-L46 HydrophobicContact CB-CD1 3.96Å; L44-L46 HydrophobicContact CB-CD2 4.43Å; L44-L46 HydrophobicContact CB-CG 3.68Å; L44-L46 HydrophobicContact CD1-CD1 3.97Å; L44-L46 HydrophobicContact CD1-CG 4.43Å; L44-L46 PolarHBondContact O-N 2.76Å
45S70.7Confident74.1Confident129 Ų129126.4 Ų126.490%0.90266%0.661SS**  trans-73.354.4172.353.80000110.9
46L72Confident73.5Confident118 Ų118131.1 Ų131.162%0.61868%0.68SS**  trans-82.2130.2174.5-61175.4000108L44 Q48L44-L46 HydrophobicContact CB-CD1 3.96Å; L44-L46 HydrophobicContact CB-CD2 4.43Å; L44-L46 HydrophobicContact CB-CG 3.68Å; L44-L46 HydrophobicContact CD1-CD1 3.97Å; L44-L46 HydrophobicContact CD1-CG 4.43Å; L44-L46 PolarHBondContact O-N 2.76Å; L46-Q48 PolarHBondContact O-N 3.05Å; L46-Q48 VanDerWaalsContact O-N 3.11Å
47I71.9Confident72.1Confident157 Ų157130 Ų13081%0.80568%0.675SS**  trans-58.3119.4171.9-61167.7000106.7C49I47-C49 PolarHBondContact O-N 3.47Å
48Q71.7Confident70.7Confident186 Ų186129.5 Ų129.587%0.86968%0.677SS**  trans-67.1105.2174.7-69.3-176.4600107.8L46L46-Q48 PolarHBondContact O-N 3.05Å; L46-Q48 VanDerWaalsContact O-N 3.11Å
49C61.3Low69.3Low111 Ų111130.7 Ų130.775%0.7569%0.688SS**  trans-66126.1170.8-48.70000107.6I47 R51I47-C49 PolarHBondContact O-N 3.47Å; C49-R51 PolarHBondContact O-N 3Å
50P77.2Confident67.7Low122 Ų122131.4 Ų131.479%0.79271%0.708SS**  trans-56.8118.8176.820.5-29.3000108.5V52P50-V52 PolarHBondContact O-N 2.84Å; P50-V52 VanDerWaalsContact O-N 3.12Å
51R73.8Confident65.9Low230 Ų230132.6 Ų132.687%0.86872%0.72SS**  trans-67.8114.6177.9-158.7176.5-154.4-140.11.4106.6C49 Q53C49-R51 PolarHBondContact O-N 3Å; R51-Q53 PolarHBondContact O-N 3.49Å
52V74.3Confident64.3Low106 Ų106140.2 Ų140.264%0.64275%0.748SS**  trans-59.2110179.4-161.10000107.5P50 F54P50-V52 PolarHBondContact O-N 2.84Å; P50-V52 VanDerWaalsContact O-N 3.12Å; V52-F54 HydrophobicContact CB-CE2 4.2Å; V52-F54 HydrophobicContact CB-CZ 4.1Å; V52-F54 HydrophobicContact CG1-CE1 3.99Å; V52-F54 HydrophobicContact CG1-CE2 4.33Å; V52-F54 HydrophobicContact CG1-CZ 3.89Å
53Q73.4Confident62.4Low181 Ų181146.6 Ų146.685%0.84676%0.761SS**  trans-86.7110.9173.7-67-176.62.400106.3R51 Q55R51-Q53 PolarHBondContact O-N 3.49Å; Q53-Q55 PolarHBondContact O-N 3.06Å
54F72.4Confident60.6Low169 Ų169145 Ų14574%0.74176%0.76SS**  trans-80.5113.3170.9-59.3-80.1000107.4V52 I56V52-F54 HydrophobicContact CB-CE2 4.2Å; V52-F54 HydrophobicContact CB-CZ 4.1Å; V52-F54 HydrophobicContact CG1-CE1 3.99Å; V52-F54 HydrophobicContact CG1-CE2 4.33Å; V52-F54 HydrophobicContact CG1-CZ 3.89Å; F54-I56 PolarHBondContact O-N 2.96Å; F54-I56 VanDerWaalsContact O-N 3.14Å
55Q65.1Low59.1Low169 Ų169145.9 Ų145.979%0.7977%0.771SS**  trans-73.7100.8168.3-158.4172.83.600106.6Q53 N57Q53-Q55 PolarHBondContact O-N 3.06Å; Q55-N57 VanDerWaalsContact C-N 3.29Å; Q55-N57 PolarHBondContact O-N 3.39Å
56I62.5Low57.7Low154 Ų154144.6 Ų144.679%0.7976%0.762SS**  trans-73.896.4167.3-59172.9000104.5F54 S58F54-I56 PolarHBondContact O-N 2.96Å; F54-I56 VanDerWaalsContact O-N 3.14Å; I56-S58 VanDerWaalsContact C-N 3.28Å; I56-S58 PolarHBondContact O-N 3.14Å
57N49.4Very low56.2Low103 Ų103147.8 Ų147.855%0.55177%0.773SS**  trans-62.196.1170.1-68.3-13.4000107.2Q55 H59Q55-N57 VanDerWaalsContact C-N 3.29Å; Q55-N57 PolarHBondContact O-N 3.39Å; N57-H59 VanDerWaalsContact C-N 3.29Å; N57-H59 PolarHBondContact O-N 3.37Å
58S52.9Low55.4Low101 Ų101146.6 Ų146.671%0.70678%0.776SS**  trans-61.4104153.151.60000104.9I56 A60I56-S58 VanDerWaalsContact C-N 3.28Å; I56-S58 PolarHBondContact O-N 3.14Å; S58-A60 PolarHBondContact O-N 2.92Å
59H46.5Very low54Low177 Ų177141 Ų14182%0.81977%0.768SS**  trans-60.985.9168.2-75-95.5000107.3N57 T61N57-H59 VanDerWaalsContact C-N 3.29Å; N57-H59 PolarHBondContact O-N 3.37Å; H59-T61 PolarHBondContact O-N 3.15Å
60A42.9Very low53.3Low89 Ų89145 Ų14574%0.73678%0.776SS**  trans-80.198.1164.400000105.9S58S58-A60 PolarHBondContact O-N 2.92Å
61T43Very low51.7Low127 Ų127146.5 Ų146.578%0.77978%0.777SS**  trans-13.9122.2153.8-57.70000115H59H59-T61 PolarHBondContact O-N 3.15Å
62E45.2Very low50.8Low193 Ų193139.9 Ų139.990%0.90277%0.772SS**  trans-127.186.6148.1-168.4173.8-164.500108.3
63W32Very low49.5Very low232 Ų232140.4 Ų140.488%0.87978%0.775SS**SBendtrans-151.8101148.7-173.5-90000109.2
64S35.6Very low48.5Very low95 Ų95136.1 Ų136.166%0.66477%0.771SS**  trans16.3141.2154.9-148.20000122
65P46.7Very low47.7Very low114 Ų114132 Ų13274%0.7476%0.763SS**  trans-85123.3-174.334.4-30.8000112.4
66S41Very low47Very low102 Ų102133.2 Ų133.271%0.71377%0.766SS**  trans-159.6100.6153.2-78.70000107.3
67H42.3Very low46.6Very low185 Ų185129.7 Ų129.786%0.85676%0.76SS**  trans166.9129.8131.7-79-53.7000109.2
68P53.4Low46.8Very low132 Ų132132 Ų13286%0.85777%0.772SS**  trans-88.7128.5-172.434.3-30000110.5
69G43.3Very low46.9Very low69 Ų69133 Ų13371%0.71177%0.774SS**  trans174.386.9175.200000112.2
70E46.1Very low47.3Very low194 Ų194126.9 Ų126.991%0.90776%0.758SS**  trans61.181.2152.4-64.1169.2-177.500117A72E70-A72 VanDerWaalsContact C-N 3.33Å; E70-A72 PolarHBondContact O-N 3.15Å; E70-A72 VanDerWaalsContact O-N 3.14Å
71D44.9Very low47.6Very low154 Ų154134.4 Ų134.482%0.82477%0.768SS**  trans-78.981.6160.7-167.822.2000109.5V73D71-V73 PolarHBondContact O-N 2.97Å
72A54.7Low48Very low92 Ų92135.3 Ų135.376%0.7677%0.773SS**  trans-86.196.9165.100000108.5E70 A74E70-A72 VanDerWaalsContact C-N 3.33Å; E70-A72 PolarHBondContact O-N 3.15Å; E70-A72 VanDerWaalsContact O-N 3.14Å; A72-A74 PolarHBondContact O-N 3.06Å; A72-A74 VanDerWaalsContact O-N 3.15Å
73V45.3Very low48.4Very low116 Ų116129.8 Ų129.870%0.70376%0.76SS**  trans-52.9116.5171.4179.40000109.3D71 S75D71-V73 PolarHBondContact O-N 2.97Å; V73-S75 PolarHBondContact O-N 3.37Å
74A54.4Low49.4Very low91 Ų91127.1 Ų127.175%0.75276%0.755SS**  trans-64.6100.5169.600000108.9A72A72-A74 PolarHBondContact O-N 3.06Å; A72-A74 VanDerWaalsContact O-N 3.15Å
75S54.5Low50Low83 Ų83131 Ų13158%0.5876%0.763SS**  trans-61.2132.5177.91780000110.8V73 A77V73-S75 PolarHBondContact O-N 3.37Å; S75-A77 PolarHBondContact O-N 2.78Å
76F51.1Low50.2Low194 Ų194133.4 Ų133.485%0.85176%0.764SS**G310 helixtrans-65.711.6177-75.9-82.9000114.6D78F76-D78 PolarHBondContact O-N 2.65Å
77A53.5Low50.6Low80 Ų80131.1 Ų131.166%0.66176%0.756SS**G310 helixtrans-70.1-17176.200000113.7S75S75-A77 PolarHBondContact O-N 2.78Å
78D54.3Low50.4Low153 Ų153131.1 Ų131.182%0.81876%0.756SS**G310 helixtrans-97.513.8-177-72.6-24.2000114.8F76F76-D78 PolarHBondContact O-N 2.65Å
79V53.9Low49.9Very low121 Ų121131.7 Ų131.773%0.73376%0.762SS**  trans-104.247.2170-163.30000110.4
80G55.1Low49.8Very low48 Ų48133 Ų13350%0.49576%0.76SS.*  trans-82.3145.8153.100000108.6
81W49.6Very low49.9Very low248 Ų248129 Ų12994%0.93976%0.761SS**  trans96.869.4178.1-48106.4000116.3
82V50.7Low50Low145 Ų145133.3 Ų133.388%0.87977%0.765SS**  trans-104.795.8136.5178.70000106K84V82-K84 PolarHBondContact O-N 3.13Å
83A54.8Low49.6Very low77 Ų77137.1 Ų137.164%0.63677%0.772SS**  trans-63.5133.1170.100000108.6E85A83-E85 PolarHBondContact O-N 3.23Å
84K51.6Low49.8Very low176 Ų176143.1 Ų143.177%0.76578%0.782SS**  trans-68.693.6172.4-177.7-179.2175.1-1680108.1V82 E86V82-K84 PolarHBondContact O-N 3.13Å; K84-E86 IonicContact NZ-OE1 2.96Å; K84-E86 PolarHBondContact O-N 2.73Å
85E48.9Very low49.3Very low178 Ų178145.2 Ų145.283%0.83279%0.785SS**  trans-83.9104.2166.2-170.5173.8-155.500107.8A83 G87A83-E85 PolarHBondContact O-N 3.23Å; E85-G87 PolarHBondContact O-N 3.05Å
86E49.8Very low48.6Very low164 Ų164150.7 Ų150.777%0.76680%0.802SS**  trans-70.9110.7161.5-95.9168.1-167.600108.1K84K84-E86 IonicContact NZ-OE1 2.96Å; K84-E86 PolarHBondContact O-N 2.73Å
87G50.9Low47.8Very low53 Ų53147.9 Ų147.955%0.54680%0.801SS.*  trans147.4121.4165.100000114.4E85E85-G87 PolarHBondContact O-N 3.05Å
88E38.6Very low46.9Very low185 Ų185155.3 Ų155.386%0.86481%0.811SS**  trans78.385.6156.4-51-178.5-167.300117.1S90E88-S90 PolarHBondContact O-N 3.27Å
89C41.7Very low45.9Very low145 Ų145152.9 Ų152.998%0.9881%0.806SS**  trans-63.2100.3159.3-710000110.2
90S41.4Very low45.2Very low95 Ų95158 Ų15866%0.66481%0.812SS**  trans-135.7115.5155.2520000110E88 R92E88-S90 PolarHBondContact O-N 3.27Å; S90-R92 PolarHBondContact O-N 3.23Å; S90-R92 VanDerWaalsContact O-N 3.13Å
91A48.3Very low44.3Very low112 Ų112161.3 Ų161.393%0.92683%0.825SS**  trans-65.5109.6178.300000109.6
92R47.4Very low43.8Very low243 Ų243154.1 Ų154.192%0.91781%0.81SS**  trans-111.6120.4172.5-118.2175.4170.6174.7-3.4109.9S90S90-R92 PolarHBondContact O-N 3.23Å; S90-R92 VanDerWaalsContact O-N 3.13Å
93L46.3Very low43.1Very low172 Ų172154.7 Ų154.790%0.90181%0.808SS**  trans-65.6139.7178.5-74.5160.5000111T95L93-T95 PolarHBondContact O-N 3.45Å
94R49.9Very low42Very low243 Ų243160 Ų16092%0.91782%0.819SS**  trans-76.698.3176.4-76.4178.6172.9157.4-2.7111
95T42.5Very low41.1Very low134 Ų134158.7 Ų158.782%0.82282%0.821SS**  trans-158.193.3149.72.60000108.9L93L93-T95 PolarHBondContact O-N 3.45Å
96E39.3Very low40.5Very low199 Ų199156.6 Ų156.693%0.9382%0.815SS**  trans-167.7113.5144-108.7177-159.300108.1
97V36.1Very low40Very low135 Ų135155 Ų15582%0.81881%0.811SS**  trans-101.8132.8178.3161.50000108.2
98R34.7Very low39.1Very low236 Ų236160.2 Ų160.289%0.89183%0.826SS**  trans80.2138.4164-125.767.9-166.6157.14.6114.7
99S32.5Very low38.9Very low101 Ų101160.5 Ų160.571%0.70682%0.824SS**  cis-160.5138.924.651.80000111.2
100R38.8Very low38.6Very low229 Ų229162.4 Ų162.486%0.86482%0.816SS**  trans-86.8148.6172.1-162.8-179.2-169.8175.34111.2
101P37.2Very low38.4Very low118 Ų118164.7 Ų164.777%0.76682%0.817SS**  -134.7173.1127.113.79.7000113.6
102P38Very low37.8Very low96 Ų96167.6 Ų167.662%0.62381%0.808SS**  trans-107.1167.4-144.340.6-35.5000116.9
103L35.4Very low37.8Very low157 Ų157160.7 Ų160.782%0.82280%0.803SS**  trans76.9113.2154.2-74.7154.9000119.6
104Q32.4Very low37.3Very low190 Ų190158.3 Ų158.389%0.88880%0.798SS**  -169.5135.496.8-96.4179.775.800111.2
105D33.3Very low36.6Very low148 Ų148151.9 Ų151.979%0.79179%0.79SS**  trans-82.7126.6168.5-128.7-11.5000107.8
106D35.5Very low36.5Very low134 Ų134156.4 Ų156.472%0.71779%0.792SS**  -179.4113.9114.6-118.92000110.7
107L40.3Very low36.4Very low131 Ų131155.6 Ų155.669%0.68679%0.788SS**  trans49.1130.3134.9-54.8173.8000121
108L31.7Very low36.2Very low161 Ų161157.3 Ų157.384%0.84379%0.791SS**  174.8119.293.1-84.5172.8000111.2
109F35.1Very low36.3Very low192 Ų192151.1 Ų151.184%0.84278%0.784SS**  trans-68.4131.6152.3-81.8-103.4000108.5
110F34.6Very low36.9Very low185 Ų185153.7 Ų153.781%0.81179%0.789SS**  179.3137.399.5-122.7-91.5000112.4
111E36.7Very low37Very low143 Ų143148.8 Ų148.867%0.66879%0.787SS**  trans-54.5126.1162.7-173.8-164.6154.200112.5
112K36.1Very low37.2Very low173 Ų173149.8 Ų149.875%0.75279%0.786SS**  165.8134.4111.4-151.1114.1-166.2160.80110.6
113A47.5Very low37.1Very low97 Ų97152.9 Ų152.980%0.80280%0.796SS**  trans-69.1151-173.700000115.2
114P36.1Very low37.4Very low123 Ų123149.9 Ų149.980%0.79979%0.789SS**  trans-122.6146.7144.734-21000112.9
115S34.6Very low37.4Very low107 Ų107149 Ų14975%0.74878%0.784SS**  trans-58.2152.2173.659.10000114.8
116R41.1Very low37.4Very low229 Ų229150.5 Ų150.586%0.86479%0.787SS**  trans54.1108.3148.9-87.4-173.4178.6-164.6-0117.5
117Q36.2Very low37.9Very low183 Ų183151 Ų15186%0.85578%0.784SS**  161.2110.9114.5-88170.3-6.900108.2S119Q117-S119 PolarHBondContact O-N 2.93Å
118I31.5Very low38.3Very low170 Ų170148.9 Ų148.987%0.87278%0.779SS**  trans-85.899.7176.6-59.8160.2000106.4
119S37.2Very low38.7Very low107 Ų107149.7 Ų149.775%0.74878%0.778SS**  trans-92.2121.1157.249.30000108.2Q117Q117-S119 PolarHBondContact O-N 2.93Å
120L45.7Very low39.2Very low154 Ų154147.9 Ų147.981%0.80678%0.777SS**  trans-56.7153.9174.1-66.8167.7000112.2
121P40.3Very low40.1Very low126 Ų126145.6 Ų145.682%0.81877%0.767SS**  trans-114.5120.5131.223.6-8.7000109.7
122D41.7Very low41Very low140 Ų140144 Ų14475%0.74977%0.767SS**  trans-65.6128.5160.1-177.919.7000109.2
123L35.8Very low42.1Very low160 Ų160139.3 Ų139.384%0.83875%0.754SS**  trans-171.593.7150.2-104150.4000109.2
124S41.8Very low42.8Very low95 Ų95137.8 Ų137.866%0.66474%0.741SS**  trans-2.2130.9145.349.90000117.6
125Q32.8Very low44.4Very low170 Ų170138 Ų13879%0.79474%0.735SS**  173.3110.2105.1-167.1165.617.200111
126E34.2Very low46.2Very low180 Ų180135.4 Ų135.484%0.84172%0.72SS**  trans68.1121.6142.3-134.9155157.500121.3
127E45.8Very low48.4Very low144 Ų144129.8 Ų129.867%0.67371%0.707SS**  trans-75.4177.7-175.9174.7170.1-166.300113.5K131E127-K131 IonicContact OE1-NZ 2.65Å; E127-K131 PolarHBondContact OE1-NZ 2.86Å
128P48.7Very low51.1Low88 Ų88125.7 Ų125.757%0.57169%0.688SS**  cis-131.5136.2-15.422.6-0.5000115
129Q38.9Very low54Low177 Ų177122.4 Ų122.483%0.82767%0.669SS**SBendtrans-161.450146-79.8-49.2-10.400112.9
130L46.2Very low56.8Low154 Ų154119.4 Ų119.481%0.80665%0.651SS**  trans-137.161.7176.7-69.8173.9000111.5
131K53.4Low59.2Low138 Ų138116.6 Ų116.660%0.664%0.636SS**  trans-119.8-12.6173.7-69.1177.7-176.3162.30113.6E127E127-K131 IonicContact OE1-NZ 2.65Å; E127-K131 PolarHBondContact OE1-NZ 2.86Å
132T56.3Low61.9Low109 Ų109116.2 Ų116.267%0.66962%0.624SS**Hα-helixtrans-76.1-41.6-177.1-4.50000115.5A134 A136T132-A134 PolarHBondContact O-N 3.49Å; T132-A136 PolarHBondContact O-N 3.44Å
133P58.8Low64.5Low74 Ų74115.3 Ų115.348%0.48161%0.613SS.*Hα-helixtrans-74.1-27.3-177.227.8-32.7000113N137P133-N137 PolarHBondContact O-N 3.31Å; P133-N137 PolarHBondContact O-ND2 2.87Å
134A62.8Low67.5Low66 Ų66111.7 Ų111.755%0.54559%0.594SS.*Hα-helixtrans-71.7-41.1177.800000112.2T132 N137 E138T132-A134 PolarHBondContact O-N 3.49Å; A134-N137 PolarHBondContact O-N 2.86Å; A134-E138 PolarHBondContact O-N 3.12Å; A134-E138 VanDerWaalsContact O-N 3.1Å
135L69.4Low70.1Confident126 Ų126110.3 Ų110.366%0.6658%0.583SS**Hα-helixtrans-66-37.5174.6-85.2175.5000112.6N137 E138 E139L135-N137 VanDerWaalsContact C-N 3.34Å; L135-N137 PolarHBondContact O-N 3.06Å; L135-E138 PolarHBondContact O-N 3.45Å; L135-E139 PolarHBondContact O-N 3.31Å
136A72.3Confident73.2Confident54 Ų54104.4 Ų104.445%0.44656%0.564SS.*Hα-helixtrans-65-37.3176.800000112.5T132 A140T132-A136 PolarHBondContact O-N 3.44Å; A136-A140 WeakPolarHBondContact O-CB 3.43Å; A136-A140 PolarHBondContact O-N 3.03Å
137N87.4Confident76.3Confident110 Ų110100.8 Ų100.859%0.58855%0.549SS*.Hα-helixtrans-68.8-38.1174.5-74.8-25.2000112P133 A134 L135 A140 L141P133-N137 PolarHBondContact O-N 3.31Å; P133-N137 PolarHBondContact O-ND2 2.87Å; A134-N137 PolarHBondContact O-N 2.86Å; L135-N137 VanDerWaalsContact C-N 3.34Å; L135-N137 PolarHBondContact O-N 3.06Å; N137-A140 PolarHBondContact O-N 3.4Å; N137-L141 WeakPolarHBondContact O-CG 3.28Å; N137-L141 PolarHBondContact O-N 3.35Å
138E92.8Very high78.8Confident98 Ų9899.4 Ų99.446%0.45854%0.543SS..Hα-helixtrans-64.4-42.3175.5-168.161.9-156.300111.4A134 L135 A140 L141 Q142A134-E138 PolarHBondContact O-N 3.12Å; A134-E138 VanDerWaalsContact O-N 3.1Å; L135-E138 PolarHBondContact O-N 3.45Å; E138-A140 VanDerWaalsContact C-N 3.32Å; E138-A140 PolarHBondContact O-N 3.39Å; E138-L141 PolarHBondContact O-N 3.46Å; E138-Q142 WeakPolarHBondContact O-CG 3.38Å; E138-Q142 PolarHBondContact O-N 3.26Å
139E92.4Very high81.1Confident100 Ų100100.8 Ų100.847%0.46755%0.545SS..Hα-helixtrans-63.3-38.4174.5-166.2-167.2148.500111.7L135 Q142 K143L135-E139 PolarHBondContact O-N 3.31Å; E139-Q142 PolarHBondContact O-N 3.1Å; E139-K143 WeakPolarHBondContact O-CG 3.42Å; E139-K143 PolarHBondContact O-N 3.3Å; E139-K143 WeakPolarHBondContact OE1-CE 3.39Å; E139-K143 IonicContact OE1-NZ 3.62Å; E139-K143 PolarHBondContact OE1-NZ 3.28Å
140A95.4Very high83.9Confident44 Ų4498.6 Ų98.636%0.36454%0.535SS..Hα-helixtrans-64.6-43.2175.300000111.8A136 N137 E138 K143 I144A136-A140 WeakPolarHBondContact O-CB 3.43Å; A136-A140 PolarHBondContact O-N 3.03Å; N137-A140 PolarHBondContact O-N 3.4Å; E138-A140 VanDerWaalsContact C-N 3.32Å; E138-A140 PolarHBondContact O-N 3.39Å; A140-K143 PolarHBondContact O-N 2.9Å; A140-I144 VanDerWaalsContact O-CG1 3.27Å; A140-I144 WeakPolarHBondContact O-CG1 3.31Å; A140-I144 PolarHBondContact O-N 3.25Å
141L95.8Very high86.4Confident96 Ų9695.6 Ų95.650%0.50352%0.52SS..Hα-helixtrans-63.2-41.7175.1-70.9173.4000111.7N137 E138 K143 I144 C145N137-L141 WeakPolarHBondContact O-CG 3.28Å; N137-L141 PolarHBondContact O-N 3.35Å; E138-L141 PolarHBondContact O-N 3.46Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 2.88Å; L141-I144 HydrophobicContact CD2-CD1 4.46Å; L141-I144 PolarHBondContact O-N 3.3Å; L141-C145 PolarHBondContact O-N 3.48Å; L141-C145 PolarHBondContact O-SG 2.99Å; L141-C145 VanDerWaalsContact O-SG 3.32Å
142Q97.2Very high88.6Confident118 Ų11891.7 Ų91.755%0.55151%0.513SS*.Hα-helixtrans-61.5-41174.7-73175.59.100112.2E138 E139 C145 A146E138-Q142 WeakPolarHBondContact O-CG 3.38Å; E138-Q142 PolarHBondContact O-N 3.26Å; E139-Q142 PolarHBondContact O-N 3.1Å; Q142-C145 PolarHBondContact O-N 3.45Å; Q142-A146 WeakPolarHBondContact O-CB 3.37Å; Q142-A146 PolarHBondContact O-N 2.97Å
143K97.1Very high90.6Very high121 Ų12188.9 Ų88.953%0.52650%0.501SS..Hα-helixtrans-63.4-41.2173.9-77.4169.2171165.20112E139 A140 L141 A146 L147E139-K143 WeakPolarHBondContact O-CG 3.42Å; E139-K143 PolarHBondContact O-N 3.3Å; E139-K143 WeakPolarHBondContact OE1-CE 3.39Å; E139-K143 IonicContact OE1-NZ 3.62Å; E139-K143 PolarHBondContact OE1-NZ 3.28Å; A140-K143 PolarHBondContact O-N 2.9Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 2.88Å; K143-A146 PolarHBondContact O-N 2.65Å; K143-L147 WeakPolarHBondContact O-CB 3.42Å; K143-L147 VanDerWaalsContact O-CG 3.28Å; K143-L147 WeakPolarHBondContact O-CG 3.49Å; K143-L147 PolarHBondContact O-N 3.31Å
144I97.1Very high92.5Very high84 Ų8489.6 Ų89.643%0.43150%0.5SS..Hα-helixtrans-61.1-50.8175.1-68.1163000109.9A140 L141 A146 L147 E148A140-I144 VanDerWaalsContact O-CG1 3.27Å; A140-I144 WeakPolarHBondContact O-CG1 3.31Å; A140-I144 PolarHBondContact O-N 3.25Å; L141-I144 HydrophobicContact CD2-CD1 4.46Å; L141-I144 PolarHBondContact O-N 3.3Å; I144-A146 VanDerWaalsContact C-N 3.32Å; I144-A146 PolarHBondContact O-N 3.23Å; I144-L147 PolarHBondContact O-N 2.94Å; I144-E148 HydrophobicContact CG2-CG 4.39Å; I144-E148 WeakPolarHBondContact O-CG 3.45Å; I144-E148 PolarHBondContact O-N 3.35Å
145C97.6Very high94.1Very high65 Ų6594.9 Ų94.944%0.43951%0.506SS..Hα-helixtrans-59.2-40.8177.6-68.50000112.6L141 Q142 E148 N149L141-C145 PolarHBondContact O-N 3.48Å; L141-C145 PolarHBondContact O-SG 2.99Å; L141-C145 VanDerWaalsContact O-SG 3.32Å; Q142-C145 PolarHBondContact O-N 3.45Å; C145-E148 PolarHBondContact O-N 3.41Å; C145-N149 VanDerWaalsContact O-CG 3.26Å; C145-N149 PolarHBondContact O-N 2.92Å; C145-N149 PolarHBondContact O-ND2 3.47Å
146A98.2Very high95.5Very high47 Ų4791.8 Ų91.839%0.38850%0.499SS..Hα-helixtrans-62.1-47.2176.600000111.6Q142 K143 I144 E148 N149 E150Q142-A146 WeakPolarHBondContact O-CB 3.37Å; Q142-A146 PolarHBondContact O-N 2.97Å; K143-A146 PolarHBondContact O-N 2.65Å; I144-A146 VanDerWaalsContact C-N 3.32Å; I144-A146 PolarHBondContact O-N 3.23Å; A146-E148 VanDerWaalsContact C-N 3.34Å; A146-E148 PolarHBondContact O-N 3.49Å; A146-N149 PolarHBondContact O-N 2.94Å; A146-E150 PolarHBondContact O-N 3.01Å
147L98.6Very high96.7Very high104 Ų10495.2 Ų95.255%0.54551%0.505SS..Hα-helixtrans-64.8-37177.5-70.5174.2000112.5K143 I144 E150 L151K143-L147 WeakPolarHBondContact O-CB 3.42Å; K143-L147 VanDerWaalsContact O-CG 3.28Å; K143-L147 WeakPolarHBondContact O-CG 3.49Å; K143-L147 PolarHBondContact O-N 3.31Å; I144-L147 PolarHBondContact O-N 2.94Å; L147-E150 PolarHBondContact O-N 2.77Å; L147-L151 WeakPolarHBondContact O-CB 3.45Å; L147-L151 WeakPolarHBondContact O-CG 3.35Å; L147-L151 PolarHBondContact O-N 3.5Å
148E97.6Very high97.3Very high115 Ų11594.1 Ų94.154%0.53750%0.499SS..Hα-helixtrans-63.8-41.7174.7-74.6179.4169.900111.8I144 C145 A146 L151 A152I144-E148 HydrophobicContact CG2-CG 4.39Å; I144-E148 WeakPolarHBondContact O-CG 3.45Å; I144-E148 PolarHBondContact O-N 3.35Å; C145-E148 PolarHBondContact O-N 3.41Å; A146-E148 VanDerWaalsContact C-N 3.34Å; A146-E148 PolarHBondContact O-N 3.49Å; E148-L151 PolarHBondContact O-N 2.9Å; E148-A152 WeakPolarHBondContact O-CB 3.39Å; E148-A152 PolarHBondContact O-N 2.8Å
149N98.1Very high97.5Very high116 Ų11692 Ų9262%0.6250%0.497SS*.Hα-helixtrans-64.6-43.6175.8-72.5-29.9000111.9C145 A146 A152 A153C145-N149 VanDerWaalsContact O-CG 3.26Å; C145-N149 PolarHBondContact O-N 2.92Å; C145-N149 PolarHBondContact O-ND2 3.47Å; A146-N149 PolarHBondContact O-N 2.94Å; N149-A152 PolarHBondContact O-N 3.01Å; N149-A153 WeakPolarHBondContact O-CB 3.33Å; N149-A153 PolarHBondContact O-N 3.33Å
150E98.2Very high97.7Very high132 Ų13294.3 Ų94.362%0.61751%0.506SS*.Hα-helixtrans-63.6-41.6175.3-72.4-179-174.500111.7A146 L147 A152 A153 L154A146-E150 PolarHBondContact O-N 3.01Å; L147-E150 PolarHBondContact O-N 2.77Å; E150-A152 PolarHBondContact O-N 3.3Å; E150-A153 PolarHBondContact O-N 3.08Å; E150-L154 WeakPolarHBondContact O-CB 3.34Å; E150-L154 PolarHBondContact O-N 3.41Å
151L98.6Very high97.8Very high91 Ų9197 Ų9748%0.47651%0.513SS..Hα-helixtrans-63.3-40.4173.9-86174.1000112.1L147 E148 L154 R155L147-L151 WeakPolarHBondContact O-CB 3.45Å; L147-L151 WeakPolarHBondContact O-CG 3.35Å; L147-L151 PolarHBondContact O-N 3.5Å; E148-L151 PolarHBondContact O-N 2.9Å; L151-L154 PolarHBondContact O-N 3.43Å; L151-R155 WeakPolarHBondContact O-CB 3.35Å; L151-R155 VanDerWaalsContact O-CG 3.25Å; L151-R155 WeakPolarHBondContact O-CG 3.45Å; L151-R155 PolarHBondContact O-N 2.92Å
152A98.1Very high97.9Very high55 Ų5596.3 Ų96.346%0.45551%0.513SS..Hα-helixtrans-63.6-43.6175.800000110.9E148 N149 E150 R155 A156E148-A152 WeakPolarHBondContact O-CB 3.39Å; E148-A152 PolarHBondContact O-N 2.8Å; N149-A152 PolarHBondContact O-N 3.01Å; E150-A152 PolarHBondContact O-N 3.3Å; A152-R155 PolarHBondContact O-N 3.31Å; A152-A156 WeakPolarHBondContact O-CB 3.5Å; A152-A156 PolarHBondContact O-N 3.49Å
153A98.3Very high97.8Very high50 Ų5094.5 Ų94.541%0.41351%0.51SS..Hα-helixtrans-62.5-43.7175.400000111.9N149 E150 A156 Q157N149-A153 WeakPolarHBondContact O-CB 3.33Å; N149-A153 PolarHBondContact O-N 3.33Å; E150-A153 PolarHBondContact O-N 3.08Å; A153-A156 WeakPolarHBondContact O-CB 3.29Å; A153-A156 PolarHBondContact O-N 3.02Å; A153-Q157 WeakPolarHBondContact O-CG 3.36Å; A153-Q157 PolarHBondContact O-N 3.43Å
154L98.6Very high97.6Very high89 Ų8992.7 Ų92.747%0.46650%0.503SS..Hα-helixtrans-64.8-41.5177.6-173.7141.7000111.5E150 L151 A156 Q157 I158E150-L154 WeakPolarHBondContact O-CB 3.34Å; E150-L154 PolarHBondContact O-N 3.41Å; L151-L154 PolarHBondContact O-N 3.43Å; L154-A156 VanDerWaalsContact C-N 3.34Å; L154-A156 PolarHBondContact O-N 3.33Å; L154-Q157 PolarHBondContact O-N 3.46Å; L154-I158 HydrophobicContact CD2-CD1 3.51Å; L154-I158 HydrophobicContact CD2-CG1 4.35Å; L154-I158 HydrophobicContact CG-CD1 4.42Å; L154-I158 WeakPolarHBondContact O-CG1 3.43Å; L154-I158 PolarHBondContact O-N 2.83Å
155R98.4Very high97.4Very high177 Ų17793.8 Ų93.867%0.66851%0.507SS*.Hα-helixtrans-60.6-41.9172.4-74.7172.4178.3173.91.8111.9L151 A152 I158 A159L151-R155 WeakPolarHBondContact O-CB 3.35Å; L151-R155 VanDerWaalsContact O-CG 3.25Å; L151-R155 WeakPolarHBondContact O-CG 3.45Å; L151-R155 PolarHBondContact O-N 2.92Å; A152-R155 PolarHBondContact O-N 3.31Å; R155-I158 PolarHBondContact O-N 3.25Å; R155-A159 WeakPolarHBondContact O-CB 3.43Å; R155-A159 PolarHBondContact O-N 2.9Å
156A98.1Very high97.1Very high62 Ų6295.7 Ų95.751%0.51251%0.509SS..Hα-helixtrans-65.4-39.2176.200000112.3A152 A153 L154 A159 K160A152-A156 WeakPolarHBondContact O-CB 3.5Å; A152-A156 PolarHBondContact O-N 3.49Å; A153-A156 WeakPolarHBondContact O-CB 3.29Å; A153-A156 PolarHBondContact O-N 3.02Å; L154-A156 VanDerWaalsContact C-N 3.34Å; L154-A156 PolarHBondContact O-N 3.33Å; A156-A159 PolarHBondContact O-N 2.89Å; A156-K160 WeakPolarHBondContact O-CB 3.45Å; A156-K160 PolarHBondContact O-N 3.3Å
157Q98.3Very high96.6Very high125 Ų12599.4 Ų99.458%0.58452%0.518SS*.Hα-helixtrans-64.3-45174.5-72.4179.217.600111.7A153 L154 A159 K160 I161A153-Q157 WeakPolarHBondContact O-CG 3.36Å; A153-Q157 PolarHBondContact O-N 3.43Å; L154-Q157 PolarHBondContact O-N 3.46Å; Q157-A159 VanDerWaalsContact C-N 3.35Å; Q157-A159 PolarHBondContact O-N 2.89Å; Q157-K160 WeakPolarHBondContact O-CB 3.2Å; Q157-K160 PolarHBondContact O-N 3.41Å; Q157-I161 WeakPolarHBondContact O-CG1 3.28Å; Q157-I161 PolarHBondContact O-N 3.16Å
158I98.1Very high95.9Very high88 Ų88101.2 Ų101.245%0.45152%0.518SS..Hα-helixtrans-60.2-46.9174.7-68.6172000110L154 R155 K160 I161 V162L154-I158 HydrophobicContact CD2-CD1 3.51Å; L154-I158 HydrophobicContact CD2-CG1 4.35Å; L154-I158 HydrophobicContact CG-CD1 4.42Å; L154-I158 WeakPolarHBondContact O-CG1 3.43Å; L154-I158 PolarHBondContact O-N 2.83Å; R155-I158 PolarHBondContact O-N 3.25Å; I158-K160 VanDerWaalsContact C-N 3.26Å; I158-K160 PolarHBondContact O-N 3.4Å; I158-I161 PolarHBondContact O-N 3.35Å; I158-I161 VanDerWaalsContact O-N 3.1Å; I158-V162 HydrophobicContact CG2-CG2 4.08Å; I158-V162 WeakPolarHBondContact O-CB 3.45Å; I158-V162 VanDerWaalsContact O-CG2 3.31Å; I158-V162 WeakPolarHBondContact O-CG2 3.39Å; I158-V162 PolarHBondContact O-N 3.3Å
159A98.1Very high95Very high52 Ų52100 Ų10043%0.4352%0.515SS..Hα-helixtrans-57.7-40.3176.900000111.7R155 A156 Q157 V162 T163R155-A159 WeakPolarHBondContact O-CB 3.43Å; R155-A159 PolarHBondContact O-N 2.9Å; A156-A159 PolarHBondContact O-N 2.89Å; Q157-A159 VanDerWaalsContact C-N 3.35Å; Q157-A159 PolarHBondContact O-N 2.89Å; A159-V162 PolarHBondContact O-N 3.4Å; A159-T163 WeakPolarHBondContact O-CB 3.29Å; A159-T163 VanDerWaalsContact O-CG2 3.29Å; A159-T163 WeakPolarHBondContact O-CG2 3.16Å; A159-T163 PolarHBondContact O-N 3.42Å; A159-T163 PolarHBondContact O-OG1 2.78Å
160K97.2Very high93.9Very high150 Ų15099.8 Ų99.865%0.65251%0.514SS*.Hα-helixtrans-64.2-42.7175.1-171.8179-178.5179.70112.1A156 Q157 I158 T163 Q164A156-K160 WeakPolarHBondContact O-CB 3.45Å; A156-K160 PolarHBondContact O-N 3.3Å; Q157-K160 WeakPolarHBondContact O-CB 3.2Å; Q157-K160 PolarHBondContact O-N 3.41Å; I158-K160 VanDerWaalsContact C-N 3.26Å; I158-K160 PolarHBondContact O-N 3.4Å; K160-T163 WeakPolarHBondContact CA-OG1 3.37Å; K160-T163 PolarHBondContact O-OG1 3.26Å; K160-Q164 VanDerWaalsContact O-CB 3.22Å; K160-Q164 WeakPolarHBondContact O-CB 3.28Å; K160-Q164 PolarHBondContact O-N 3.2Å
161I97.1Very high92.2Very high101 Ų10198.6 Ų98.652%0.51851%0.51SS..Hα-helixtrans-65.4-46.7177.6-67.6165.8000110.4Q157 I158 Q164 Q165Q157-I161 WeakPolarHBondContact O-CG1 3.28Å; Q157-I161 PolarHBondContact O-N 3.16Å; I158-I161 PolarHBondContact O-N 3.35Å; I158-I161 VanDerWaalsContact O-N 3.1Å; I161-Q164 PolarHBondContact O-N 3.39Å; I161-Q165 VanDerWaalsContact O-CB 3.25Å; I161-Q165 WeakPolarHBondContact O-CB 3.33Å; I161-Q165 PolarHBondContact O-N 3.26Å
162V97.2Very high90.2Very high81 Ų8197.7 Ų97.749%0.49152%0.516SS..Hα-helixtrans-62.7-46.1-179.6172.10000110.9I158 A159 Q164 Q165 E166I158-V162 HydrophobicContact CG2-CG2 4.08Å; I158-V162 WeakPolarHBondContact O-CB 3.45Å; I158-V162 VanDerWaalsContact O-CG2 3.31Å; I158-V162 WeakPolarHBondContact O-CG2 3.39Å; I158-V162 PolarHBondContact O-N 3.3Å; A159-V162 PolarHBondContact O-N 3.4Å; V162-Q164 PolarHBondContact O-N 3.16Å; V162-Q165 PolarHBondContact O-N 2.86Å; V162-E166 WeakPolarHBondContact O-CB 3.37Å; V162-E166 PolarHBondContact O-N 3.17Å
163T94.6Very high88.1Confident80 Ų8098.5 Ų98.549%0.49153%0.53SS..Hα-helixtrans-65.1-38.6176.650.20000112.3A159 K160 E166 Q167A159-T163 WeakPolarHBondContact O-CB 3.29Å; A159-T163 VanDerWaalsContact O-CG2 3.29Å; A159-T163 WeakPolarHBondContact O-CG2 3.16Å; A159-T163 PolarHBondContact O-N 3.42Å; A159-T163 PolarHBondContact O-OG1 2.78Å; K160-T163 WeakPolarHBondContact CA-OG1 3.37Å; K160-T163 PolarHBondContact O-OG1 3.26Å; T163-E166 PolarHBondContact O-N 3.18Å; T163-Q167 WeakPolarHBondContact O-CG 3.47Å; T163-Q167 PolarHBondContact O-N 3.47Å
164Q94.4Very high85.7Confident83 Ų83102.6 Ų102.639%0.38855%0.545SS..Hα-helixtrans-69.8-35.7175.2-160.7-173.937.500112.2K160 I161 V162 R168K160-Q164 VanDerWaalsContact O-CB 3.22Å; K160-Q164 WeakPolarHBondContact O-CB 3.28Å; K160-Q164 PolarHBondContact O-N 3.2Å; I161-Q164 PolarHBondContact O-N 3.39Å; V162-Q164 PolarHBondContact O-N 3.16Å; Q164-R168 VanDerWaalsContact CD-CZ 3.45Å; Q164-R168 VanDerWaalsContact CG-NH1 3.27Å; Q164-R168 VanDerWaalsContact NE2-NH2 3.11Å; Q164-R168 WeakPolarHBondContact O-CB 3.37Å; Q164-R168 WeakPolarHBondContact O-CG 3.43Å; Q164-R168 PolarHBondContact O-N 2.9Å
165Q93.1Very high83.2Confident106 Ų106103.7 Ų103.750%0.49555%0.55SS.*Hα-helixtrans-67.4-43.2174.5-176.5176.61.900110.6I161 V162 R168 N169I161-Q165 VanDerWaalsContact O-CB 3.25Å; I161-Q165 WeakPolarHBondContact O-CB 3.33Å; I161-Q165 PolarHBondContact O-N 3.26Å; V162-Q165 PolarHBondContact O-N 2.86Å; Q165-R168 PolarHBondContact O-N 3.4Å; Q165-N169 WeakPolarHBondContact O-CB 3.24Å; Q165-N169 PolarHBondContact O-N 2.94Å; Q165-N169 PolarHBondContact O-ND2 3.14Å
166E90.4Very high80.7Confident106 Ų106103.2 Ų103.250%0.49556%0.561SS.*Hα-helixtrans-59.8-46.9174.5-170.261.6-153.600111V162 T163 R168 N169 L170V162-E166 WeakPolarHBondContact O-CB 3.37Å; V162-E166 PolarHBondContact O-N 3.17Å; T163-E166 PolarHBondContact O-N 3.18Å; E166-R168 PolarHBondContact O-N 3.43Å; E166-N169 PolarHBondContact O-N 3.13Å; E166-L170 HydrophobicContact CG-CD1 4.37Å; E166-L170 VanDerWaalsContact O-CG 3.3Å; E166-L170 WeakPolarHBondContact O-CG 3.27Å; E166-L170 PolarHBondContact O-N 3Å
167Q87.3Confident78Confident124 Ų124104.5 Ų104.558%0.57957%0.566SS**Hα-helixtrans-59.5-42.7174.2-74.7177.3-12.100112.7T163 L170 I171T163-Q167 WeakPolarHBondContact O-CG 3.47Å; T163-Q167 PolarHBondContact O-N 3.47Å; Q167-L170 PolarHBondContact O-N 3.37Å; Q167-I171 WeakPolarHBondContact O-CD1 3.3Å; Q167-I171 VanDerWaalsContact O-CG1 3.25Å; Q167-I171 WeakPolarHBondContact O-CG1 3.29Å; Q167-I171 PolarHBondContact O-N 3.43Å
168R84.5Confident75.1Confident143 Ų143104.7 Ų104.754%0.5458%0.576SS.*Hα-helixtrans-64.6-38.9175.4-76-174.3-175.4104.9-0.2112.2Q164 Q165 E166 I171 A172Q164-R168 VanDerWaalsContact CD-CZ 3.45Å; Q164-R168 VanDerWaalsContact CG-NH1 3.27Å; Q164-R168 VanDerWaalsContact NE2-NH2 3.11Å; Q164-R168 WeakPolarHBondContact O-CB 3.37Å; Q164-R168 WeakPolarHBondContact O-CG 3.43Å; Q164-R168 PolarHBondContact O-N 2.9Å; Q165-R168 PolarHBondContact O-N 3.4Å; E166-R168 PolarHBondContact O-N 3.43Å; R168-I171 PolarHBondContact O-N 3.28Å; R168-A172 VanDerWaalsContact O-CB 3.27Å; R168-A172 WeakPolarHBondContact O-CB 3.2Å; R168-A172 PolarHBondContact O-N 3.34Å
169N78.8Confident72.2Confident89 Ų89106.8 Ų106.848%0.47659%0.593SS.*Hα-helixtrans-67.5-39.1177.2-69.7-27.5000111.6Q165 E166 A172 G173Q165-N169 WeakPolarHBondContact O-CB 3.24Å; Q165-N169 PolarHBondContact O-N 2.94Å; Q165-N169 PolarHBondContact O-ND2 3.14Å; E166-N169 PolarHBondContact O-N 3.13Å; N169-A172 PolarHBondContact O-N 2.91Å; N169-G173 PolarHBondContact O-N 3.04Å
170L74.5Confident69.8Low112 Ų112110.1 Ų110.159%0.58661%0.614SS**Hα-helixtrans-65.4-38.9174.8-68.7172.9000112E166 Q167E166-L170 HydrophobicContact CG-CD1 4.37Å; E166-L170 VanDerWaalsContact O-CG 3.3Å; E166-L170 WeakPolarHBondContact O-CG 3.27Å; E166-L170 PolarHBondContact O-N 3Å; Q167-L170 PolarHBondContact O-N 3.37Å
171I63.3Low67Low107 Ų107106.4 Ų106.455%0.54962%0.617SS.*Hα-helixtrans-71.7-34.5175.6-64.9165.2000111.3Q167 R168 D174 L175Q167-I171 WeakPolarHBondContact O-CD1 3.3Å; Q167-I171 VanDerWaalsContact O-CG1 3.25Å; Q167-I171 WeakPolarHBondContact O-CG1 3.29Å; Q167-I171 PolarHBondContact O-N 3.43Å; R168-I171 PolarHBondContact O-N 3.28Å; I171-D174 PolarHBondContact O-N 3.48Å; I171-L175 HydrophobicContact CG2-CD1 3.96Å
172A56.7Low64.2Low71 Ų71108 Ų10859%0.58763%0.632SS**Hα-helixtrans-75.6-23.4176.500000113.4R168 N169 D174R168-A172 VanDerWaalsContact O-CB 3.27Å; R168-A172 WeakPolarHBondContact O-CB 3.2Å; R168-A172 PolarHBondContact O-N 3.34Å; N169-A172 PolarHBondContact O-N 2.91Å; A172-D174 VanDerWaalsContact C-N 3.33Å
173G52.9Low61.6Low73 Ų73110.8 Ų110.875%0.75365%0.649SS**THydrogen-bonded Turntrans-81.2-7.8172.700000114.8N169N169-G173 PolarHBondContact O-N 3.04Å
174D48.8Very low59.7Low136 Ų136114.6 Ų114.673%0.72767%0.666SS**SBendtrans-115.31.7-177.7-166.646.4000113.3I171 A172I171-D174 PolarHBondContact O-N 3.48Å; A172-D174 VanDerWaalsContact C-N 3.33Å
175L46Very low58.1Low111 Ų111116.1 Ų116.158%0.58168%0.683SS**  trans-131.473.1-177.4-69171.3000112.2I171 S177I171-L175 HydrophobicContact CG2-CD1 3.96Å; L175-S177 PolarHBondContact O-N 3.23Å
176D45Very low56.7Low167 Ų167116.7 Ų116.789%0.89370%0.696SS**  trans-68.872.9145.5-70.2-17.7000108.5
177S40.7Very low55.7Low90 Ų90117.2 Ų117.263%0.62971%0.709SS**  trans-172.5106.4160.3-86.10000112L175L175-S177 PolarHBondContact O-N 3.23Å
178T39Very low55Low128 Ų128117.1 Ų117.179%0.78572%0.719SS**  trans44.6109136.1-26.20000118.1
179T37.1Very low54.3Low133 Ų133116 Ų11682%0.81673%0.73SS**  165.1122.7122.7-75.60000112
180S47.1Very low54.1Low122 Ų122117.4 Ų117.485%0.85374%0.744SS**  trans-62.2140.6168.4-42.90000112.1
181G38.7Very low54Low71 Ų71117.7 Ų117.773%0.73275%0.752SS**  trans-165.690.8175.600000115.9
182T39Very low54.5Low135 Ų135118.1 Ų118.183%0.82876%0.762SS**  trans48.2107141.5-44.60000120.4
183T42.7Very low55.3Low139 Ų139120.2 Ų120.285%0.85377%0.77SS**  trans-76.9135.8164.136.50000112.2
184L54Low56.4Low161 Ų161122.2 Ų122.284%0.84377%0.77SS**  trans-108.9141.6162.1-81.6162.9000109.1
185P60.1Low57.4Low114 Ų114121.5 Ų121.574%0.7477%0.772SS**PPolyproline II helixtrans-79.1149.6-178.732-33.5000112.4
186P65.1Low58.6Low118 Ų118121.9 Ų121.977%0.76678%0.781SS**PPolyproline II helixtrans-76.4153.817831.6-34.4000112.6
187P69.4Low59.8Low118 Ų118119.3 Ų119.377%0.76677%0.774SS**PPolyproline II helixtrans-72.2156.1176.830.2-34.6000112.8
188P70.8Confident60.6Low121 Ų121121.4 Ų121.479%0.78679%0.785SS**PPolyproline II helixtrans-73.4152.5-177.730-35000113.2
189P71.5Confident61.1Low121 Ų121123.7 Ų123.779%0.78679%0.792SS**PPolyproline II helixtrans-74.9152.1178.130.4-34.6000113.2
190P73.1Confident61.5Low117 Ų117120.4 Ų120.476%0.7678%0.784SS**PPolyproline II helixtrans-72.7155.1175.830-34.3000112.9
191P73.9Confident61.4Low118 Ų118123.3 Ų123.377%0.76679%0.789SS**PPolyproline II helixtrans-72.6150.9-179.229.6-34.7000113
192P72.4Confident61.8Low117 Ų117128.6 Ų128.676%0.7680%0.795SS**PPolyproline II helixtrans-74.5148.9177.830.1-34.2000112.8
193P73.8Confident62.7Low115 Ų115131.5 Ų131.575%0.74780%0.799SS**PPolyproline II helixtrans-72.3153.5174.529.6-33.9000112.6
194P75.2Confident63.5Low115 Ų115130.1 Ų130.175%0.74780%0.795SS**PPolyproline II helixtrans-71.7150.5179.729-34.4000113
195P70.8Confident64.2Low120 Ų120127.7 Ų127.778%0.77979%0.787SS**PPolyproline II helixtrans-75.2145.7177.129.7-33.6000112.9
196P70.7Confident64.9Low119 Ų119124.9 Ų124.977%0.77377%0.769SS**PPolyproline II helixtrans-74.8153.3175.129.5-33.2000113
197P70.6Confident65.2Low113 Ų113122.4 Ų122.473%0.73476%0.759SS**PPolyproline II helixtrans-73.2151.8-178.429.5-34.2000113.2L199P197-L199 PolarHBondContact O-N 3.4Å
198P57.5Low65.9Low134 Ų134121.8 Ų121.887%0.8775%0.748SS**PPolyproline II helixtrans-72.7125179.528.2-31.8000111.7
199L49.9Very low66.4Low176 Ų176120.1 Ų120.192%0.92173%0.733SS**PPolyproline II helixtrans-83.4126.8175.7-73.7164.6000111.4P197P197-L199 PolarHBondContact O-N 3.4Å
200G44.8Very low67.2Low64 Ų64117.7 Ų117.766%0.6671%0.713SS**  trans68.497.4139.800000118.5H202G200-H202 PolarHBondContact O-N 3.26Å
201L44.5Very low67.6Low183 Ų183116.9 Ų116.996%0.95870%0.701SS**  trans-53.7103.5160-79.1154.6000110.8Q203L201-Q203 PolarHBondContact O-N 3.04Å
202H47.8Very low68.1Low182 Ų182117.5 Ų117.584%0.84369%0.692SS**  trans-68.9125.5168.2-111.9-99.2000109.5G200 S204G200-H202 PolarHBondContact O-N 3.26Å; H202-S204 PolarHBondContact O-N 3.41Å
203Q59Low68.6Low196 Ų196116.2 Ų116.292%0.91668%0.675SS**  trans-54.299.3172.1-120162.618.600109.9L201 V205L201-Q203 PolarHBondContact O-N 3.04Å; Q203-V205 PolarHBondContact O-N 3.17Å
204S58.8Low68.9Low111 Ų111118.3 Ų118.378%0.77667%0.668SS**  trans-82.8114.5176.258.50000109.6H202 S206H202-S204 PolarHBondContact O-N 3.41Å; S204-S206 PolarHBondContact O-N 2.91Å
205V68.3Low69Low110 Ų110122.1 Ų122.167%0.66767%0.668SS**  trans-58.8127.7164.7-178.50000108Q203 D209Q203-V205 PolarHBondContact O-N 3.17Å; V205-D209 HydrophobicContact CG1-CB 4.29Å
206S75.4Confident69.2Low54 Ų54123.1 Ų123.138%0.37866%0.662SS.*  trans-64.7136.8-172.9-1790000111S204 I208 D209 L210S204-S206 PolarHBondContact O-N 2.91Å; S206-I208 PolarHBondContact O-N 3.31Å; S206-I208 PolarHBondContact OG-N 2.89Å; S206-D209 WeakPolarHBondContact O-CB 3.33Å; S206-D209 PolarHBondContact O-N 3.47Å; S206-L210 PolarHBondContact O-N 3.49Å
207A71.3Confident69.3Low66 Ų66124 Ų12455%0.54565%0.654SS.*Hα-helixtrans-53.9-26175.800000112.8L210 I211A207-L210 PolarHBondContact O-N 3.49Å; A207-I211 WeakPolarHBondContact O-CD1 3.36Å; A207-I211 WeakPolarHBondContact O-CG1 3.28Å; A207-I211 PolarHBondContact O-N 2.84Å; A207-I211 VanDerWaalsContact O-N 3.14Å
208I83.4Confident69.2Low106 Ų106128.9 Ų128.954%0.54466%0.658SS.*Hα-helixtrans-65.5-39.1177.4-54.6173.8000111S206 I211 K212S206-I208 PolarHBondContact O-N 3.31Å; S206-I208 PolarHBondContact OG-N 2.89Å; I208-I211 PolarHBondContact O-N 3.34Å; I208-K212 PolarHBondContact O-N 2.83Å; I208-K212 VanDerWaalsContact O-N 3.11Å
209D81Confident69.6Low85 Ų85126.2 Ų126.246%0.45565%0.647SS.*Hα-helixtrans-70.1-40.9-179.7-61.6-33.5000110.6V205 S206 I211 K212 E213V205-D209 HydrophobicContact CG1-CB 4.29Å; S206-D209 WeakPolarHBondContact O-CB 3.33Å; S206-D209 PolarHBondContact O-N 3.47Å; D209-I211 VanDerWaalsContact C-N 3.26Å; D209-I211 PolarHBondContact O-N 2.96Å; D209-K212 PolarHBondContact O-N 2.93Å; D209-E213 PolarHBondContact O-N 3.02Å
210L88.1Confident70.1Confident71 Ų71124.3 Ų124.337%0.37264%0.638SS.*Hα-helixtrans-62.1-30.6173.7-76.5169.6000113.4S206 A207 R214S206-L210 PolarHBondContact O-N 3.49Å; A207-L210 PolarHBondContact O-N 3.49Å; L210-R214 WeakPolarHBondContact O-CB 3.48Å; L210-R214 WeakPolarHBondContact O-CG 3.36Å; L210-R214 PolarHBondContact O-N 2.65Å
211I82.4Confident70.7Confident99 Ų99125.3 Ų125.351%0.50864%0.639SS.*Hα-helixtrans-76.2-41.7177.7-69.5162.6000110.7A207 I208 D209 R214 R215A207-I211 WeakPolarHBondContact O-CD1 3.36Å; A207-I211 WeakPolarHBondContact O-CG1 3.28Å; A207-I211 PolarHBondContact O-N 2.84Å; A207-I211 VanDerWaalsContact O-N 3.14Å; I208-I211 PolarHBondContact O-N 3.34Å; D209-I211 VanDerWaalsContact C-N 3.26Å; D209-I211 PolarHBondContact O-N 2.96Å; I211-R214 PolarHBondContact O-N 3.41Å; I211-R215 WeakPolarHBondContact O-CG 3.48Å; I211-R215 PolarHBondContact O-N 3.29Å; I211-R215 VanDerWaalsContact O-N 3.15Å
212K84.4Confident71.2Confident132 Ų132119.8 Ų119.857%0.57463%0.627SS**Hα-helixtrans-63.1-47176.9-74.3-179-180178.30111.4I208 D209 R214 R215 E216I208-K212 PolarHBondContact O-N 2.83Å; I208-K212 VanDerWaalsContact O-N 3.11Å; D209-K212 PolarHBondContact O-N 2.93Å; K212-R214 PolarHBondContact O-N 2.93Å; K212-R215 PolarHBondContact O-N 3.44Å; K212-R215 VanDerWaalsContact O-N 3.1Å; K212-E216 PolarHBondContact O-N 3.28Å; K212-E216 VanDerWaalsContact O-N 3.12Å
213E82.3Confident71.6Confident90 Ų90120.4 Ų120.442%0.42163%0.627SS.*Hα-helixtrans-59-44.9177.8-170.3-163.6161.600112.1D209 R215 E216 K217D209-E213 PolarHBondContact O-N 3.02Å; E213-R215 VanDerWaalsContact C-N 3.27Å; E213-R215 PolarHBondContact O-N 3.3Å; E213-E216 PolarHBondContact O-N 3.4Å; E213-K217 PolarHBondContact O-N 2.97Å; E213-K217 VanDerWaalsContact OE1-CE 3.32Å; E213-K217 WeakPolarHBondContact OE1-CE 3.36Å; E213-K217 IonicContact OE1-NZ 2.65Å; E213-K217 PolarHBondContact OE1-NZ 3.4Å
214R80.4Confident70.7Confident159 Ų159117.8 Ų117.860%0.663%0.625SS**Hα-helixtrans-65.3-28.2177.7-80.9-172.8176.791.1-4.6113.1L210 I211 K212 R218L210-R214 WeakPolarHBondContact O-CB 3.48Å; L210-R214 WeakPolarHBondContact O-CG 3.36Å; L210-R214 PolarHBondContact O-N 2.65Å; I211-R214 PolarHBondContact O-N 3.41Å; K212-R214 PolarHBondContact O-N 2.93Å; R214-R218 WeakPolarHBondContact O-CG 3.34Å
215R78.4Confident70.2Confident194 Ų194120.5 Ų120.573%0.73263%0.63SS**Hα-helixtrans-75.4-42.9177.5-78.4-179.8126175.2-1.1112I211 K212 E213 K217 R218 A219I211-R215 WeakPolarHBondContact O-CG 3.48Å; I211-R215 PolarHBondContact O-N 3.29Å; I211-R215 VanDerWaalsContact O-N 3.15Å; K212-R215 PolarHBondContact O-N 3.44Å; K212-R215 VanDerWaalsContact O-N 3.1Å; E213-R215 VanDerWaalsContact C-N 3.27Å; E213-R215 PolarHBondContact O-N 3.3Å; R215-K217 VanDerWaalsContact C-N 3.35Å; R215-K217 PolarHBondContact O-N 3.1Å; R215-R218 PolarHBondContact O-N 3.49Å; R215-A219 PolarHBondContact O-N 3.21Å
216E73.7Confident68.8Low142 Ų142121.5 Ų121.566%0.66464%0.636SS**Hα-helixtrans-65.2-36.7178.4-76.2-179.2165.800112.8K212 E213 R218 A219 N220K212-E216 PolarHBondContact O-N 3.28Å; K212-E216 VanDerWaalsContact O-N 3.12Å; E213-E216 PolarHBondContact O-N 3.4Å; E216-R218 VanDerWaalsContact C-N 3.31Å; E216-R218 PolarHBondContact O-N 2.96Å; E216-A219 PolarHBondContact O-N 3.1Å; E216-N220 PolarHBondContact O-ND2 3.48Å
217K73.1Confident67.6Low138 Ų138127.5 Ų127.560%0.666%0.655SS**Hα-helixtrans-64.5-32.8174.7-71.9-177.7-174.8173.30113.1E213 R215E213-K217 PolarHBondContact O-N 2.97Å; E213-K217 VanDerWaalsContact OE1-CE 3.32Å; E213-K217 WeakPolarHBondContact OE1-CE 3.36Å; E213-K217 IonicContact OE1-NZ 2.65Å; E213-K217 PolarHBondContact OE1-NZ 3.4Å; R215-K217 VanDerWaalsContact C-N 3.35Å; R215-K217 PolarHBondContact O-N 3.1Å
218R67.9Low66.2Low214 Ų214131.6 Ų131.681%0.80867%0.668SS**Hα-helixtrans-79.1-27.2179.5-72-168.3-176.1-1122.9113.8R214 R215 E216 N220R214-R218 WeakPolarHBondContact O-CG 3.34Å; R215-R218 PolarHBondContact O-N 3.49Å; E216-R218 VanDerWaalsContact C-N 3.31Å; E216-R218 PolarHBondContact O-N 2.96Å; R218-N220 VanDerWaalsContact C-N 3.31Å; R218-N220 PolarHBondContact O-N 2.96Å
219A67.8Low64.4Low78 Ų78134.6 Ų134.665%0.64569%0.685SS**Hα-helixtrans-72.2-23.6178.200000113.3R215 E216R215-A219 PolarHBondContact O-N 3.21Å; E216-A219 PolarHBondContact O-N 3.1Å
220N58.5Low62.9Low137 Ų137135.8 Ų135.873%0.73370%0.698SS**THydrogen-bonded Turntrans-88.6-10.3-178-75.4-69.9000114.6E216 R218E216-N220 PolarHBondContact O-ND2 3.48Å; R218-N220 VanDerWaalsContact C-N 3.31Å; R218-N220 PolarHBondContact O-N 2.96Å
221A58.2Low61.1Low84 Ų84141.6 Ų141.669%0.69472%0.72SS**THydrogen-bonded Turntrans-86.6-1.2-177.900000114.6
222G56.3Low59.6Low68 Ų68145.7 Ų145.770%0.70173%0.734SS**  trans-96.610.7-16900000117.1
223K55.3Low58.2Low194 Ų194145.8 Ų145.884%0.84375%0.748SS**  trans-123.772.5-175.5-63.6-175.5-177177.80112.7
224T40.2Very low57.4Low141 Ų141149.3 Ų149.387%0.86576%0.764SS**  trans-143.190.7158.5-18.70000110.1
225L47.5Very low56.7Low168 Ų168149.6 Ų149.688%0.8878%0.775SS**  trans-89108.4169.5166.279.9000108.1
226V39.4Very low56.6Low132 Ų132144.9 Ų144.980%0.877%0.769SS**  trans-155.7106.6149.7-174.40000110.9
227K50.1Low57.1Low180 Ų180141 Ų14178%0.78375%0.753SS**  trans22.4111133.5-158.5176.8-170.6177.60117.6
228N41.3Very low57.9Low152 Ų152140.1 Ų140.181%0.81375%0.752SS**  trans-179.4127.4136.5-86.5-46.2000109.9P230N228-P230 WeakPolarHBondContact O-CD 3.35Å
229N46.8Very low58.9Low169 Ų169135.4 Ų135.490%0.90474%0.743SS**  trans-79.4125.6163.5-85.1-76.7000108.4
230P48.8Very low59.8Low110 Ų110137.1 Ų137.171%0.71474%0.737SS**  trans-116.9142.1132.627.5-14.9000108.5N228 K232N228-P230 WeakPolarHBondContact O-CD 3.35Å; P230-K232 PolarHBondContact O-N 3.33Å
231K49.9Very low61.2Low192 Ų192134 Ų13484%0.83572%0.72SS**  trans-42.6135.4174.9-67.5171.9176.4179.50109.3
232K52Low62.7Low186 Ų186134.3 Ų134.381%0.80971%0.709SS**  trans-41.2145.8166.3-58.3176.4-178.1178.30108.1P230 E234P230-K232 PolarHBondContact O-N 3.33Å; K232-E234 PolarHBondContact O-N 2.82Å
233P55.5Low64.2Low134 Ų134138.1 Ų138.187%0.8771%0.706SS**  trans-56.2102.8162.824.9-30000105.8M235P233-M235 PolarHBondContact O-N 3.48Å
234E64.9Low65.6Low163 Ų163133.8 Ų133.876%0.76269%0.693SS**  trans-61.1121.7175.5-174.3165.2176.400104.2K232 P236K232-E234 PolarHBondContact O-N 2.82Å; E234-P236 VanDerWaalsContact O-N 3.17Å
235M66.3Low67.9Low166 Ų166132.8 Ų132.882%0.81868%0.68SS**  trans-40.3126.6176.3-169.184101.200108.1P233 N237P233-M235 PolarHBondContact O-N 3.48Å; M235-N237 PolarHBondContact O-N 2.89Å
236P74.4Confident69.5Low94 Ų94131.8 Ų131.861%0.6168%0.675SS**  trans-52.9122.4-17318.2-30.2000109.6E234 M238 I241E234-P236 VanDerWaalsContact O-N 3.17Å; P236-M238 PolarHBondContact O-N 3.26Å; P236-I241 HydrophobicContact CB-CD1 3.94Å
237N85.8Confident71.6Confident60 Ų60129.5 Ų129.532%0.32167%0.665SS.*  trans-68.8107.2-173.4-178.6-4.9000109.1M235 L239 E240 I241M235-N237 PolarHBondContact O-N 2.89Å; N237-L239 PolarHBondContact O-N 2.9Å; N237-L239 WeakPolarHBondContact OD1-CB 3.48Å; N237-L239 PolarHBondContact OD1-N 3.48Å; N237-E240 HydrophobicContact CB-CB 4.22Å; N237-E240 HydrophobicContact CB-CG 4.11Å; N237-E240 PolarHBondContact ND2-OE1 3.3Å; N237-E240 WeakPolarHBondContact O-CB 3.4Å; N237-E240 PolarHBondContact O-N 2.78Å; N237-I241 PolarHBondContact O-N 3.47Å; N237-I241 VanDerWaalsContact O-N 3.14Å
238M88.7Confident73.3Confident120 Ų120125.5 Ų125.559%0.59166%0.655SS**Hα-helixtrans-56.1-27.1-179.5-75.7-63.5-60.800112.8P236 I241 L242P236-M238 PolarHBondContact O-N 3.26Å; M238-I241 HydrophobicContact SD-CD1 4.04Å; M238-L242 WeakPolarHBondContact O-CB 3.37Å; M238-L242 WeakPolarHBondContact O-CD1 3.5Å; M238-L242 WeakPolarHBondContact O-CG 3.39Å; M238-L242 PolarHBondContact O-N 3.01Å
239L89.2Confident75.4Confident116 Ų116127.5 Ų127.561%0.60766%0.657SS**Hα-helixtrans-71.2-33.1176.3-61.3174000112.5N237 K243N237-L239 PolarHBondContact O-N 2.9Å; N237-L239 WeakPolarHBondContact OD1-CB 3.48Å; N237-L239 PolarHBondContact OD1-N 3.48Å; L239-K243 WeakPolarHBondContact O-CB 3.46Å; L239-K243 WeakPolarHBondContact O-CD 3.5Å; L239-K243 WeakPolarHBondContact O-CG 3.34Å; L239-K243 PolarHBondContact O-N 3.46Å; L239-K243 VanDerWaalsContact O-N 3.15Å
240E86.1Confident77.2Confident113 Ų113126.9 Ų126.953%0.52865%0.653SS.*Hα-helixtrans-72-44.8174.6-72.7166.8-156.900110.1N237 L242 K243 D244N237-E240 HydrophobicContact CB-CB 4.22Å; N237-E240 HydrophobicContact CB-CG 4.11Å; N237-E240 PolarHBondContact ND2-OE1 3.3Å; N237-E240 WeakPolarHBondContact O-CB 3.4Å; N237-E240 PolarHBondContact O-N 2.78Å; E240-L242 PolarHBondContact O-N 3.26Å; E240-K243 WeakPolarHBondContact O-CB 3.31Å; E240-K243 PolarHBondContact O-N 2.98Å; E240-K243 VanDerWaalsContact O-N 3.15Å; E240-D244 PolarHBondContact O-N 3.26Å
241I88.6Confident78.9Confident72 Ų72132.7 Ų132.737%0.36966%0.66SS.*Hα-helixtrans-59.1-46176.2-61.2165.1000111.2P236 N237 M238 K243 D244 M245P236-I241 HydrophobicContact CB-CD1 3.94Å; N237-I241 PolarHBondContact O-N 3.47Å; N237-I241 VanDerWaalsContact O-N 3.14Å; M238-I241 HydrophobicContact SD-CD1 4.04Å; I241-K243 VanDerWaalsContact C-N 3.33Å; I241-K243 PolarHBondContact O-N 3.38Å; I241-D244 PolarHBondContact O-N 2.89Å; I241-M245 WeakPolarHBondContact O-CG 3.4Å; I241-M245 PolarHBondContact O-N 3.45Å
242L89.2Confident80.2Confident90 Ų90129.2 Ų129.247%0.47166%0.66SS.*Hα-helixtrans-67.3-30.8178.7-71.3171.2000113M238 E240 M245M238-L242 WeakPolarHBondContact O-CB 3.37Å; M238-L242 WeakPolarHBondContact O-CD1 3.5Å; M238-L242 WeakPolarHBondContact O-CG 3.39Å; M238-L242 PolarHBondContact O-N 3.01Å; E240-L242 PolarHBondContact O-N 3.26Å; L242-M245 HydrophobicContact CD2-SD 4.06Å
243K88.3Confident81.3Confident148 Ų148125.6 Ų125.664%0.64365%0.654SS**Hα-helixtrans-67.6-42.4172.4-79171.5-177-179.70111.1L239 E240 I241 M245 N246L239-K243 WeakPolarHBondContact O-CB 3.46Å; L239-K243 WeakPolarHBondContact O-CD 3.5Å; L239-K243 WeakPolarHBondContact O-CG 3.34Å; L239-K243 PolarHBondContact O-N 3.46Å; L239-K243 VanDerWaalsContact O-N 3.15Å; E240-K243 WeakPolarHBondContact O-CB 3.31Å; E240-K243 PolarHBondContact O-N 2.98Å; E240-K243 VanDerWaalsContact O-N 3.15Å; I241-K243 VanDerWaalsContact C-N 3.33Å; I241-K243 PolarHBondContact O-N 3.38Å; K243-M245 VanDerWaalsContact C-N 3.33Å; K243-M245 PolarHBondContact O-N 2.88Å; K243-N246 PolarHBondContact O-N 3.41Å
244D84.5Confident81.8Confident103 Ų103128.8 Ų128.855%0.55165%0.654SS**Hα-helixtrans-69.5-32.6-178.9-68.7-7.6000111.5E240 I241 N246 S247 V248E240-D244 PolarHBondContact O-N 3.26Å; I241-D244 PolarHBondContact O-N 2.89Å; D244-N246 VanDerWaalsContact C-N 3.28Å; D244-N246 PolarHBondContact O-N 2.89Å; D244-S247 WeakPolarHBondContact O-CB 3.37Å; D244-S247 PolarHBondContact O-N 3.21Å; D244-S247 PolarHBondContact O-OG 3.39Å; D244-V248 PolarHBondContact O-N 3.35Å
245M88.9Confident81.1Confident121 Ų121131.8 Ų131.860%0.59666%0.658SS**Hα-helixtrans-57.1-37173.4-75.9-176.970.800113.5I241 L242 K243 S247 V248I241-M245 WeakPolarHBondContact O-CG 3.4Å; I241-M245 PolarHBondContact O-N 3.45Å; L242-M245 HydrophobicContact CD2-SD 4.06Å; K243-M245 VanDerWaalsContact C-N 3.33Å; K243-M245 PolarHBondContact O-N 2.88Å; M245-S247 PolarHBondContact O-N 3.45Å; M245-V248 PolarHBondContact O-N 3.29Å
246N80.8Confident80.2Confident146 Ų146128.3 Ų128.378%0.78165%0.65SS**THydrogen-bonded Turntrans-70.6-17.7177.2-74.1-34.5000113.3K243 D244K243-N246 PolarHBondContact O-N 3.41Å; D244-N246 VanDerWaalsContact C-N 3.28Å; D244-N246 PolarHBondContact O-N 2.89Å
247S84.1Confident79.3Confident84 Ų84132.4 Ų132.459%0.58766%0.661SS**THydrogen-bonded Turntrans-87.3-16.4177790000113.1D244 M245 K249D244-S247 WeakPolarHBondContact O-CB 3.37Å; D244-S247 PolarHBondContact O-N 3.21Å; D244-S247 PolarHBondContact O-OG 3.39Å; M245-S247 PolarHBondContact O-N 3.45Å; S247-K249 PolarHBondContact O-N 2.9Å; S247-K249 VanDerWaalsContact O-N 3.08Å
248V84.6Confident77.4Confident96 Ų96137.6 Ų137.658%0.58268%0.683SS**  trans-73.1101179.3-178.80000109.9D244 M245 L250D244-V248 PolarHBondContact O-N 3.35Å; M245-V248 PolarHBondContact O-N 3.29Å; V248-L250 HydrophobicContact CG1-CD2 3.96Å; V248-L250 HydrophobicContact CG1-CG 4.45Å
249K86Confident75.4Confident195 Ų195139.5 Ų139.585%0.84870%0.696SS**  trans-92.3103.8170.9-67.8-179.8-178.5176.80109.8S247S247-K249 PolarHBondContact O-N 2.9Å; S247-K249 VanDerWaalsContact O-N 3.08Å
250L84.5Confident73.7Confident156 Ų156140.1 Ų140.182%0.81771%0.705SS**  trans-70.2133.8171.1-60.1-179.3000109.6V248 S252V248-L250 HydrophobicContact CG1-CD2 3.96Å; V248-L250 HydrophobicContact CG1-CG 4.45Å; L250-S252 PolarHBondContact O-N 3.21Å
251R83.9Confident72.1Confident231 Ų231143.3 Ų143.387%0.87272%0.717SS**  trans-67.9130.1169.6-68.9-168.1-68.2177.7-2.2108.4V253R251-V253 PolarHBondContact O-N 2.92Å
252S77.2Confident70.4Confident119 Ų119145.3 Ų145.383%0.83274%0.735SS**  trans-63.6107.8170.7-177.60000108.6L250L250-S252 PolarHBondContact O-N 3.21Å
253V75.6Confident69Low111 Ų111149.8 Ų149.867%0.67375%0.75SS**  trans-78.8119.2169.5176.90000106.3R251 R255R251-V253 PolarHBondContact O-N 2.92Å; V253-R255 VanDerWaalsContact C-N 3.31Å; V253-R255 PolarHBondContact O-N 3.32Å
254K65.3Low67.6Low200 Ų200148.5 Ų148.587%0.8776%0.757SS**  trans-59.498.2168.8-76.9-174.6176.4-178.30107.7S256K254-S256 PolarHBondContact O-N 3.34Å
255R50.4Low66.5Low226 Ų226147 Ų14785%0.85375%0.751SS**  trans-60.8122162.8-69.7-172.516687.4-0.2105.7V253 E257V253-R255 VanDerWaalsContact C-N 3.31Å; V253-R255 PolarHBondContact O-N 3.32Å; R255-E257 PolarHBondContact O-N 3.23Å
256S49Very low65.4Low93 Ų93145.9 Ų145.965%0.6575%0.748SS**  trans-56130.3173.442.40000108.1K254 Q258K254-S256 PolarHBondContact O-N 3.34Å; S256-Q258 PolarHBondContact O-N 2.98Å
257E54.5Low64.8Low180 Ų180142.4 Ų142.484%0.84174%0.739SS**G310 helixtrans-61.711.9175.2-65176.1156.200113.5R255 D259R255-E257 PolarHBondContact O-N 3.23Å; E257-D259 VanDerWaalsContact C-N 3.34Å; E257-D259 PolarHBondContact O-N 3.12Å
258Q45.7Very low64.5Low169 Ų169144 Ų14479%0.7975%0.746SS**G310 helixtrans-82.9-10.4-170.1-163.9146-14.800113.5S256S256-Q258 PolarHBondContact O-N 2.98Å
259D46.9Very low64.8Low160 Ų160142.8 Ų142.886%0.85674%0.736SS**G310 helixtrans-103.46.1179.5-110.2-24000115.1E257E257-D259 VanDerWaalsContact C-N 3.34Å; E257-D259 PolarHBondContact O-N 3.12Å
260V54Low65Low130 Ų130137.7 Ų137.779%0.78872%0.723SS**SBendtrans-134.924.5176.1-155.40000112.7P262V260-P262 VanDerWaalsContact O-CD 3.28Å; V260-P262 WeakPolarHBondContact O-CD 3.49Å
261K51.7Low65.3Low179 Ų179133 Ų13378%0.77871%0.707SS**SBendtrans-81.2114.8157.3-79.2-157.4175.2-1790107.8K263K261-K263 PolarHBondContact O-N 3.2Å
262P54.1Low65.5Low115 Ų115123 Ų12375%0.74767%0.673SS**  trans-58109.2171.123.4-30.1000107V260V260-P262 VanDerWaalsContact O-CD 3.28Å; V260-P262 WeakPolarHBondContact O-CD 3.49Å
263K59Low66.1Low183 Ų183121.4 Ų121.480%0.79666%0.655SS**  trans-54.3136172-145.8164.2-176.3174.70106.4K261 V265K261-K263 PolarHBondContact O-N 3.2Å; K263-V265 PolarHBondContact O-N 3.3Å
264P59.3Low66.8Low121 Ų121121 Ų12179%0.78665%0.648SS**  trans-51.7119.9174.720.7-30.8000107.4D266P264-D266 PolarHBondContact O-N 2.99Å
265V60.4Low68.1Low71 Ų71114.2 Ų114.243%0.4363%0.629SS.*  trans-65109.4-169.71760000107K263 A267 A272 E276K263-V265 PolarHBondContact O-N 3.3Å; V265-A267 PolarHBondContact O-N 2.87Å; V265-A267 VanDerWaalsContact O-N 3.09Å; V265-A272 HydrophobicContact CG1-CB 4.24Å; V265-E276 HydrophobicContact CG1-CG 4.25Å; V265-E276 WeakPolarHBondContact CG2-OE1 3.22Å
266D65.7Low69.9Low98 Ų98108.1 Ų108.152%0.52461%0.61SS.*  trans-72.3102168.6-166.3-13.3000106.8P264 T268 D269P264-D266 PolarHBondContact O-N 2.99Å; D266-T268 PolarHBondContact O-N 3.41Å; D266-T268 VanDerWaalsContact OD1-CB 3.29Å; D266-T268 WeakPolarHBondContact OD1-CB 3.38Å; D266-T268 PolarHBondContact OD1-N 2.91Å; D266-T268 PolarHBondContact OD1-OG1 2.9Å; D266-D269 PolarHBondContact O-N 3.23Å
267A68.4Low72Confident73 Ų73106.6 Ų106.660%0.60360%0.603SS**THydrogen-bonded Turntrans-64.2-2-179.500000113.2V265V265-A267 PolarHBondContact O-N 2.87Å; V265-A267 VanDerWaalsContact O-N 3.09Å
268T78.7Confident73.8Confident119 Ų119102.1 Ų102.173%0.7359%0.585SS**THydrogen-bonded Turntrans-91.9-18.8176.7-33.50000112.4D266 P270D266-T268 PolarHBondContact O-N 3.41Å; D266-T268 VanDerWaalsContact OD1-CB 3.29Å; D266-T268 WeakPolarHBondContact OD1-CB 3.38Å; D266-T268 PolarHBondContact OD1-N 2.91Å; D266-T268 PolarHBondContact OD1-OG1 2.9Å; T268-P270 WeakPolarHBondContact O-CD 3.25Å
269D90.1Very high75.9Confident70 Ų70101.7 Ų101.737%0.37458%0.58SS.*  trans-82.3119-179.5175.120.5000111.1D266 A271 A272 L273D266-D269 PolarHBondContact O-N 3.23Å; D269-A271 PolarHBondContact O-N 2.94Å; D269-A271 PolarHBondContact OD1-N 2.88Å; D269-A272 HydrophobicContact CB-CB 3.92Å; D269-A272 PolarHBondContact O-N 3.3Å; D269-A272 PolarHBondContact OD2-N 3.38Å; D269-L273 PolarHBondContact O-N 3.47Å; D269-L273 VanDerWaalsContact O-N 3.12Å
270P89.6Confident77.9Confident88 Ų88102.5 Ų102.557%0.57158%0.576SS**Hα-helixtrans-59.3-31.1177.325.1-35.4000112.8T268 I274T268-P270 WeakPolarHBondContact O-CD 3.25Å; P270-I274 WeakPolarHBondContact O-CD1 3.34Å; P270-I274 VanDerWaalsContact O-CG1 3.24Å; P270-I274 WeakPolarHBondContact O-CG1 3.27Å; P270-I274 PolarHBondContact O-N 2.89Å; P270-I274 VanDerWaalsContact O-N 3.1Å
271A90.8Very high79.8Confident58 Ų58103.7 Ų103.748%0.47957%0.571SS.*Hα-helixtrans-70.7-40.8178.600000111.7D269 I274 A275D269-A271 PolarHBondContact O-N 2.94Å; D269-A271 PolarHBondContact OD1-N 2.88Å; A271-I274 PolarHBondContact O-N 3.41Å; A271-A275 WeakPolarHBondContact O-CB 3.49Å; A271-A275 PolarHBondContact O-N 3.31Å
272A88.3Confident81.7Confident20 Ų2099.7 Ų99.717%0.16555%0.554CS.*Hα-helixtrans-61.7-43.8174.600000112V265 D269 I274 A275 E276V265-A272 HydrophobicContact CG1-CB 4.24Å; D269-A272 HydrophobicContact CB-CB 3.92Å; D269-A272 PolarHBondContact O-N 3.3Å; D269-A272 PolarHBondContact OD2-N 3.38Å; A272-I274 PolarHBondContact O-N 2.85Å; A272-A275 PolarHBondContact O-N 2.91Å; A272-E276 WeakPolarHBondContact O-CG 3.49Å; A272-E276 PolarHBondContact O-N 3.5Å
273L90.4Very high83Confident86 Ų8696.9 Ų96.945%0.4554%0.54SS..Hα-helixtrans-61.7-43.7176.9-69.4175000112.5D269 A277D269-L273 PolarHBondContact O-N 3.47Å; D269-L273 VanDerWaalsContact O-N 3.12Å; L273-A277 VanDerWaalsContact O-CB 3.29Å; L273-A277 WeakPolarHBondContact O-CB 3.43Å; L273-A277 PolarHBondContact O-N 3.02Å
274I91.3Very high83.8Confident103 Ų10396.8 Ų96.853%0.52854%0.536SS..Hα-helixtrans-64.9-44176.4-67.8165.8000110P270 A271 A272 E276 A277 L278P270-I274 WeakPolarHBondContact O-CD1 3.34Å; P270-I274 VanDerWaalsContact O-CG1 3.24Å; P270-I274 WeakPolarHBondContact O-CG1 3.27Å; P270-I274 PolarHBondContact O-N 2.89Å; P270-I274 VanDerWaalsContact O-N 3.1Å; A271-I274 PolarHBondContact O-N 3.41Å; A272-I274 PolarHBondContact O-N 2.85Å; I274-E276 PolarHBondContact O-N 2.85Å; I274-A277 PolarHBondContact O-N 3.2Å; I274-L278 HydrophobicContact CG2-CD1 3.72Å; I274-L278 HydrophobicContact CG2-CG 4.2Å; I274-L278 WeakPolarHBondContact O-CB 3.47Å; I274-L278 WeakPolarHBondContact O-CG 3.4Å; I274-L278 PolarHBondContact O-N 3.06Å
275A91.4Very high84.7Confident57 Ų5799.3 Ų99.347%0.47153%0.53SS..Hα-helixtrans-61.2-44.2178.500000112.1A271 A272 L278 K279A271-A275 WeakPolarHBondContact O-CB 3.49Å; A271-A275 PolarHBondContact O-N 3.31Å; A272-A275 PolarHBondContact O-N 2.91Å; A275-L278 PolarHBondContact O-N 2.97Å; A275-K279 WeakPolarHBondContact O-CB 3.43Å; A275-K279 PolarHBondContact O-N 3.04Å
276E89.2Confident84.8Confident97 Ų97104.3 Ų104.345%0.45354%0.542SS..Hα-helixtrans-64.8-44175.4-74.6-158.5141.300112.5V265 A272 I274 L278 K279 K280V265-E276 HydrophobicContact CG1-CG 4.25Å; V265-E276 WeakPolarHBondContact CG2-OE1 3.22Å; A272-E276 WeakPolarHBondContact O-CG 3.49Å; A272-E276 PolarHBondContact O-N 3.5Å; I274-E276 PolarHBondContact O-N 2.85Å; E276-L278 VanDerWaalsContact C-N 3.35Å; E276-L278 PolarHBondContact O-N 3.24Å; E276-K279 PolarHBondContact O-N 2.92Å; E276-K280 VanDerWaalsContact O-CB 3.3Å; E276-K280 WeakPolarHBondContact O-CB 3.25Å; E276-K280 PolarHBondContact O-N 3.29Å
277A92.7Very high84.7Confident61 Ų61108 Ų10850%0.50455%0.549SS..Hα-helixtrans-61.9-43.4178.200000111.5L273 I274 K280 K281L273-A277 VanDerWaalsContact O-CB 3.29Å; L273-A277 WeakPolarHBondContact O-CB 3.43Å; L273-A277 PolarHBondContact O-N 3.02Å; I274-A277 PolarHBondContact O-N 3.2Å; A277-K280 PolarHBondContact O-N 3.42Å; A277-K281 VanDerWaalsContact O-CB 3.28Å; A277-K281 WeakPolarHBondContact O-CB 3.39Å; A277-K281 PolarHBondContact O-N 3.36Å
278L93.1Very high83.9Confident86 Ų86108.8 Ų108.845%0.4555%0.549SS..Hα-helixtrans-64.9-47.6174.8-68.1172.6000110.9I274 A275 E276 K280 K281 F282I274-L278 HydrophobicContact CG2-CD1 3.72Å; I274-L278 HydrophobicContact CG2-CG 4.2Å; I274-L278 WeakPolarHBondContact O-CB 3.47Å; I274-L278 WeakPolarHBondContact O-CG 3.4Å; I274-L278 PolarHBondContact O-N 3.06Å; A275-L278 PolarHBondContact O-N 2.97Å; E276-L278 VanDerWaalsContact C-N 3.35Å; E276-L278 PolarHBondContact O-N 3.24Å; L278-K280 VanDerWaalsContact C-N 3.3Å; L278-K280 PolarHBondContact O-N 3.09Å; L278-K281 PolarHBondContact O-N 3.23Å; L278-F282 HydrophobicContact CB-CD2 4.46Å; L278-F282 HydrophobicContact CD2-CE2 3.92Å; L278-F282 WeakPolarHBondContact O-CD2 3.29Å; L278-F282 PolarHBondContact O-N 2.82Å
279K89.6Confident82.5Confident161 Ų161109.9 Ų109.970%0.755%0.551SS**Hα-helixtrans-56.8-43.3177-174175.7-179.1178.70111.5A275 E276 A283A275-K279 WeakPolarHBondContact O-CB 3.43Å; A275-K279 PolarHBondContact O-N 3.04Å; E276-K279 PolarHBondContact O-N 2.92Å; K279-A283 WeakPolarHBondContact O-CA 3.38Å; K279-A283 WeakPolarHBondContact O-CB 3.29Å; K279-A283 PolarHBondContact O-N 3.47Å
280K89.3Confident80.6Confident177 Ų177110.1 Ų110.177%0.7756%0.558SS**Hα-helixtrans-67.7-42.4176.7-169.5175-178.3175.90112.2E276 A277 L278 F282E276-K280 VanDerWaalsContact O-CB 3.3Å; E276-K280 WeakPolarHBondContact O-CB 3.25Å; E276-K280 PolarHBondContact O-N 3.29Å; A277-K280 PolarHBondContact O-N 3.42Å; L278-K280 VanDerWaalsContact C-N 3.3Å; L278-K280 PolarHBondContact O-N 3.09Å; K280-F282 VanDerWaalsContact C-N 3.31Å; K280-F282 PolarHBondContact O-N 3.18Å
281K93.6Very high78.4Confident154 Ų154113.1 Ų113.167%0.6757%0.565SS**Hα-helixtrans-62.7-37.4178.2-176.3-176.9177-167.90112.3A277 L278A277-K281 VanDerWaalsContact O-CB 3.28Å; A277-K281 WeakPolarHBondContact O-CB 3.39Å; A277-K281 PolarHBondContact O-N 3.36Å; L278-K281 PolarHBondContact O-N 3.23Å
282F90.5Very high76.3Confident96 Ų96117.5 Ų117.542%0.42158%0.58SS.*Hα-helixtrans-103.52.7-175.5-62.2-70.3000114.1L278 K280 Y284 R285 Y286L278-F282 HydrophobicContact CB-CD2 4.46Å; L278-F282 HydrophobicContact CD2-CE2 3.92Å; L278-F282 WeakPolarHBondContact O-CD2 3.29Å; L278-F282 PolarHBondContact O-N 2.82Å; K280-F282 VanDerWaalsContact C-N 3.31Å; K280-F282 PolarHBondContact O-N 3.18Å; F282-Y284 PolarHBondContact O-N 2.83Å; F282-Y284 VanDerWaalsContact O-N 3.13Å; F282-R285 HydrophobicContact CD1-CG 4.36Å; F282-R285 WeakPolarHBondContact O-CA 3.46Å; F282-R285 WeakPolarHBondContact O-CB 3.25Å; F282-R285 PolarHBondContact O-N 3.22Å; F282-Y286 PolarHBondContact O-N 3.3Å
283A82.2Confident74.3Confident56 Ų56125 Ų12546%0.46361%0.611SS.*Hα-helixtrans-53.6-36.4178.800000113K279 R285 Y286 R287K279-A283 WeakPolarHBondContact O-CA 3.38Å; K279-A283 WeakPolarHBondContact O-CB 3.29Å; K279-A283 PolarHBondContact O-N 3.47Å; A283-R285 VanDerWaalsContact C-N 3.29Å; A283-R285 PolarHBondContact O-N 2.76Å; A283-Y286 PolarHBondContact O-N 2.96Å; A283-R287 PolarHBondContact O-N 2.95Å; A283-R287 VanDerWaalsContact O-N 3.16Å
284Y75.7Confident72Confident180 Ų180125.4 Ų125.471%0.70663%0.627SS**Hα-helixtrans-64.2-31.2174.9168.6-100.3000113.3F282F282-Y284 PolarHBondContact O-N 2.83Å; F282-Y284 VanDerWaalsContact O-N 3.13Å
285R77.9Confident69.6Low174 Ų174129.7 Ų129.766%0.65765%0.645SS**Hα-helixtrans-76.6-34.3178.4-62-59.4-156.3107.22112.3F282 A283F282-R285 HydrophobicContact CD1-CG 4.36Å; F282-R285 WeakPolarHBondContact O-CA 3.46Å; F282-R285 WeakPolarHBondContact O-CB 3.25Å; F282-R285 PolarHBondContact O-N 3.22Å; A283-R285 VanDerWaalsContact C-N 3.29Å; A283-R285 PolarHBondContact O-N 2.76Å
286Y62.8Low67.3Low176 Ų176136.7 Ų136.769%0.6967%0.665SS**Hα-helixtrans-78.8-27.4179.9-113.1-89000113.4F282 A283 S288 D289 S290F282-Y286 PolarHBondContact O-N 3.3Å; A283-Y286 PolarHBondContact O-N 2.96Å; Y286-S288 PolarHBondContact O-N 3.49Å; Y286-D289 PolarHBondContact O-N 2.83Å; Y286-S290 PolarHBondContact O-N 3.29Å; Y286-S290 PolarHBondContact O-OG 3.49Å
287R63.1Low64.5Low177 Ų177135.4 Ų135.467%0.66868%0.678SS**THydrogen-bonded Turntrans-61.5-27.6176.1-173.2178.7-118.6-119.32.7112.7A283A283-R287 PolarHBondContact O-N 2.95Å; A283-R287 VanDerWaalsContact O-N 3.16Å
288S50.9Low62.1Low88 Ų88138.9 Ų138.962%0.61569%0.692SS**THydrogen-bonded Turntrans-76.3-26.6-179.1-63.70000113.8Y286Y286-S288 PolarHBondContact O-N 3.49Å
289D50.5Low59.5Low142 Ų142140.3 Ų140.376%0.75971%0.707SS**THydrogen-bonded Turntrans-97.8-16.7-178.1-67.2-26.6000113Y286Y286-D289 PolarHBondContact O-N 2.83Å
290S50.2Low57.1Low76 Ų76141 Ų14153%0.53171%0.71SS.*SBendtrans-105.45.7-174.279.50000115Y286 D292Y286-S290 PolarHBondContact O-N 3.29Å; Y286-S290 PolarHBondContact O-OG 3.49Å; S290-D292 VanDerWaalsContact C-N 3.28Å; S290-D292 PolarHBondContact O-N 2.92Å
291Q43.9Very low54.4Low151 Ų151138 Ų13871%0.70671%0.711SS**THydrogen-bonded Turntrans-90.923.8-176.2-153.7179-46.600113.5
292D45.5Very low51.9Low149 Ų149139.2 Ų139.280%0.79772%0.719SS**THydrogen-bonded Turntrans-106.5-11172.6-131.28.1000113.2S290S290-D292 VanDerWaalsContact C-N 3.28Å; S290-D292 PolarHBondContact O-N 2.92Å
293E47.2Very low49.4Very low178 Ų178140.2 Ų140.283%0.83274%0.738SS**SBendtrans-146.769-175.5-71.2-67.615000111.7
294A41.1Very low47Very low95 Ų95147 Ų14779%0.78576%0.76SS**  trans-172.562.9157.800000112K296A294-K296 PolarHBondContact O-N 3.1Å
295E41.9Very low45.1Very low192 Ų192142.7 Ų142.790%0.89776%0.762SS**  trans-74.3107.5149-92.4-157.5161.800108.7
296K43.6Very low43.2Very low204 Ų204141.3 Ų141.389%0.88777%0.773SS**  trans155.7121.2132.4-85.4-149.9-178.9-162.30110.3A294A294-K296 PolarHBondContact O-N 3.1Å
297G30.1Very low42.2Very low71 Ų71138.3 Ų138.373%0.73278%0.778SS**  trans145.770.3166.400000113.1
298V41.4Very low41.3Very low133 Ų133138.4 Ų138.481%0.80679%0.786SS**  trans-63.7138.5162.3177.40000108.2
299P38.8Very low41.2Very low116 Ų116144.3 Ų144.375%0.75380%0.795SS**  -125135.412330.7-21000111.1S301P299-S301 PolarHBondContact O-N 3.02Å
300K39.5Very low41.4Very low176 Ų176143 Ų14377%0.76579%0.791SS**  trans-52.7131.1164.3-82.6169168177.30109
301S32.7Very low41.9Very low114 Ų114145.8 Ų145.880%0.79780%0.8SS**  trans-144.7107.9152-70.70000107.2P299P299-S301 PolarHBondContact O-N 3.02Å
302E40.6Very low42.6Very low179 Ų179146.1 Ų146.184%0.83680%0.799SS**  trans-64.4123.4174.9-64.4161.1-168.200108
303S36.9Very low43.8Very low117 Ų117140.2 Ų140.282%0.81877%0.773SS**  trans-139.1116.4155.346.40000107.7
304E33.7Very low44.6Very low199 Ų199137.1 Ų137.193%0.9377%0.768SS**  trans-57.6137.9-179.2-82.9172.5117.900112.3
305A35.6Very low46Very low89 Ų89139.2 Ų139.274%0.73676%0.762SS**  trans-16.6127.6162.200000118.1
306T37.3Very low47.1Very low145 Ų145135.4 Ų135.489%0.8975%0.746SS**  -146.680.6116.721.10000108.3E308T306-E308 PolarHBondContact O-N 3.2Å; T306-E308 VanDerWaalsContact O-N 3.14Å
307S41.9Very low48.4Very low113 Ų113132.3 Ų132.379%0.7974%0.738SS**  trans-73.299.4167.9174.90000108R309S307-R309 PolarHBondContact O-N 3.5Å
308E44.3Very low50.4Low179 Ų179137.9 Ų137.984%0.83674%0.742SS**  trans-58.2107.6159.4-173.3177.6178.900106.7T306 V310T306-E308 PolarHBondContact O-N 3.2Å; T306-E308 VanDerWaalsContact O-N 3.14Å; E308-V310 VanDerWaalsContact C-N 3.35Å; E308-V310 PolarHBondContact O-N 3.27Å
309R48.6Very low51.5Low213 Ų213137.7 Ų137.780%0.80474%0.743SS**  trans-5696.7-178.6-172.8-177.4-162.3172.85.9108.8S307 L311S307-R309 PolarHBondContact O-N 3.5Å; R309-L311 PolarHBondContact O-N 2.92Å
310V54.5Low52.5Low113 Ų113138.6 Ų138.669%0.68575%0.747SS**  trans-56.3107.1172178.20000107.1E308 F312E308-V310 VanDerWaalsContact C-N 3.35Å; E308-V310 PolarHBondContact O-N 3.27Å; V310-F312 WeakPolarHBondContact CG1-O 3.3Å; V310-F312 PolarHBondContact O-N 2.92Å
311L60.7Low53.2Low136 Ų136133.5 Ų133.571%0.71274%0.744SS**SBendtrans-66.2-3.6-169.1-106.9138.9000114.2R309R309-L311 PolarHBondContact O-N 2.92Å
312F57.8Low54.4Low158 Ų158137.9 Ų137.969%0.69375%0.749SS**  trans-142.4121.9-178.7-68.4-81.7000110.7V310 M316V310-F312 WeakPolarHBondContact CG1-O 3.3Å; V310-F312 PolarHBondContact O-N 2.92Å; F312-M316 HydrophobicContact CD1-SD 3.69Å; F312-M316 HydrophobicContact CE1-SD 4.08Å
313G71.8Confident54.9Low25 Ų25138.3 Ų138.326%0.25875%0.753SS.*SBendtrans-169.8173.7176.200000112.1H315 M316G313-H315 PolarHBondContact O-N 2.74Å; G313-M316 PolarHBondContact O-N 3.39Å
314P64.2Low55.8Low112 Ų112142.1 Ų142.173%0.72776%0.755SS**G310 helixtrans-54.3-20.2-171.7-25.333.1000115.1M316 L317P314-M316 PolarHBondContact O-N 2.84Å; P314-L317 WeakPolarHBondContact O-CB 3.33Å; P314-L317 PolarHBondContact O-N 3.46Å
315H70Confident56.6Low139 Ų139136.8 Ų136.864%0.64475%0.745SS**G310 helixtrans-63.6-14.9173.167.8-88.7000114.2G313 L317G313-H315 PolarHBondContact O-N 2.74Å; H315-L317 VanDerWaalsContact C-N 3.31Å
316M64.3Low57.1Low113 Ų113140.6 Ų140.656%0.55775%0.752SS**G310 helixtrans-79.9-11.5171.7-68.2-162.571.400113.4F312 G313 P314 K318F312-M316 HydrophobicContact CD1-SD 3.69Å; F312-M316 HydrophobicContact CE1-SD 4.08Å; G313-M316 PolarHBondContact O-N 3.39Å; P314-M316 PolarHBondContact O-N 2.84Å; M316-K318 PolarHBondContact O-N 2.96Å
317L70.9Confident57.6Low138 Ų138140 Ų14072%0.72374%0.742SS**SBendtrans-79.3113.5176-59.1175.7000108.4P314 H315P314-L317 WeakPolarHBondContact O-CB 3.33Å; P314-L317 PolarHBondContact O-N 3.46Å; H315-L317 VanDerWaalsContact C-N 3.31Å
318K72.7Confident58Low189 Ų189142.3 Ų142.382%0.82274%0.74SS**  trans-63.3134.8174.7-66.8-166.5177.3-173.10109.3M316 T320M316-K318 PolarHBondContact O-N 2.96Å; K318-T320 PolarHBondContact O-N 2.89Å; K318-T320 VanDerWaalsContact O-N 3.09Å
319P65.4Low58Low128 Ų128141.1 Ų141.183%0.83174%0.74SS**  trans-64.8113.6175.725.3-31.4000109.2G321P319-G321 PolarHBondContact O-N 3.43Å
320T58.3Low57.7Low135 Ų135137.8 Ų137.883%0.82874%0.743SS**  trans-73.9117.1170.753.40000108.3K318K318-T320 PolarHBondContact O-N 2.89Å; K318-T320 VanDerWaalsContact O-N 3.09Å
321G54.7Low57.4Low69 Ų69136.9 Ų136.971%0.71174%0.742SS**  trans-57.7136.8-179.400000112.4P319 M323P319-G321 PolarHBondContact O-N 3.43Å; G321-M323 PolarHBondContact O-N 3.04Å
322K59.1Low56.5Low206 Ų206137.6 Ų137.690%0.89675%0.746SS**  trans-62.3113.9176.5-61.3-177.6177.5-177.80109.4K324K322-K324 PolarHBondContact O-N 3.42Å
323M50.8Low55.5Low188 Ų188139.6 Ų139.693%0.92678%0.78SS**  trans-73.9110.4164.3-66-16973.800107.6G321 A325G321-M323 PolarHBondContact O-N 3.04Å; M323-A325 PolarHBondContact O-N 2.88Å
324K55.4Low54.7Low197 Ų197145.3 Ų145.386%0.85781%0.806SS**  trans-68.8125168.3-70.2-162.7174.1-169.40108K322 L326K322-K324 PolarHBondContact O-N 3.42Å; K324-L326 PolarHBondContact O-N 3.41Å
325A49.8Very low54.2Low88 Ų88147.1 Ų147.173%0.72781%0.81SS**  trans-61.2123170.300000109M323 I327M323-A325 PolarHBondContact O-N 2.88Å; A325-I327 PolarHBondContact O-N 2.97Å
326L46.3Very low53.3Low168 Ų168147.5 Ų147.588%0.8882%0.819SS**  trans-86.299.1170.2-163.9140.7000106K324K324-L326 PolarHBondContact O-N 3.41Å
327I49Very low52.7Low133 Ų133149.5 Ų149.568%0.68283%0.834SS**  trans-86.5121.2172.6-68.3175000106.9A325A325-I327 PolarHBondContact O-N 2.97Å
328E49.1Very low51.5Low161 Ų161150.3 Ų150.375%0.75284%0.841SS**  trans63.4100.3141.3-157.9169.7-163.400117.6
329N44.6Very low50.1Low155 Ų155147.7 Ų147.783%0.82984%0.843SS**  trans-148.7120.1141.5-79-66.4000108.5
330V41.6Very low49Very low142 Ų142149.1 Ų149.186%0.86184%0.844SS**  151.7110.9126.6169.90000109.6
331S49.9Very low48.3Very low94 Ų94150.2 Ų150.266%0.65785%0.845SS**  trans-73.8164.5166-47.10000112.5
332D39.9Very low47.8Very low152 Ų152156.9 Ų156.981%0.81386%0.856SS**  trans59.999.3146.7-61.5-41.5000120.3
333S37.8Very low46.8Very low199 Ų199152.5 Ų152.5100%1.39285%0.852SS**  166.30117.5-780000111

Retrieved 333 of 333 residues in 67.2 ms (Link to these results)