A0A087WNS5_MOUSE Loading...

Reticulophagy regulator family member 2

AlphaFold DB , UniProt , Accession A0A087WNS5, Species MOUSE (Mus musculus, Mouse), Gene Retreg2, Length 149 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
1A53Low60.4Low122 Ų12295.5 Ų95.5100%1.00859%0.593SS**  0-53.3000000112.3E3 A4 V5A1-E3 VanDerWaalsContact C-N 3.33Å; A1-E3 PolarHBondContact O-N 3.16Å; A1-A4 PolarHBondContact O-N 3.21Å; A1-A4 VanDerWaalsContact O-N 3.15Å; A1-V5 PolarHBondContact O-N 3.09Å
2A49.9Very low60.4Low87 Ų8796.3 Ų96.372%0.71959%0.59SS**Hα-helixtrans-56.6-39.2-179.500000114.5A4 V5 G6A2-A4 VanDerWaalsContact C-N 3.35Å; A2-A4 PolarHBondContact O-N 2.78Å; A2-V5 PolarHBondContact O-N 3.39Å; A2-G6 PolarHBondContact O-N 3.1Å; A2-G6 VanDerWaalsContact O-N 3.16Å
3E65.1Low60.3Low160 Ų160101.3 Ų101.375%0.74859%0.592SS**Hα-helixtrans-67-33.3178.4-61.4-130.3151.100113.7A1 G6 R7A1-E3 VanDerWaalsContact C-N 3.33Å; A1-E3 PolarHBondContact O-N 3.16Å; E3-G6 PolarHBondContact O-N 3.48Å; E3-R7 PolarHBondContact O-N 3.38Å
4A62.9Low60.4Low60 Ų60103.3 Ų103.350%0.49660%0.598SS.*Hα-helixtrans-71.9-36.8179.200000111.4A1 A2 G6 R7 L8A1-A4 PolarHBondContact O-N 3.21Å; A1-A4 VanDerWaalsContact O-N 3.15Å; A2-A4 VanDerWaalsContact C-N 3.35Å; A2-A4 PolarHBondContact O-N 2.78Å; A4-G6 VanDerWaalsContact C-N 3.34Å; A4-R7 PolarHBondContact O-N 2.87Å; A4-L8 PolarHBondContact O-N 2.96Å; A4-L8 VanDerWaalsContact O-N 3.14Å
5V56.9Low60.6Low96 Ų96109.5 Ų109.558%0.58261%0.607SS**Hα-helixtrans-66.1-37.8175179.30000110.8A1 A2 R7 L8 A9A1-V5 PolarHBondContact O-N 3.09Å; A2-V5 PolarHBondContact O-N 3.39Å; V5-R7 PolarHBondContact O-N 3.13Å; V5-L8 PolarHBondContact O-N 3.47Å; V5-A9 WeakPolarHBondContact O-CB 3.27Å; V5-A9 PolarHBondContact O-N 2.92Å
6G61.5Low60.3Low37 Ų37108 Ų10838%0.38160%0.597SS.*Hα-helixtrans-62.8-38175.600000113.6A2 E3 A4 T10A2-G6 PolarHBondContact O-N 3.1Å; A2-G6 VanDerWaalsContact O-N 3.16Å; E3-G6 PolarHBondContact O-N 3.48Å; A4-G6 VanDerWaalsContact C-N 3.34Å; G6-T10 WeakPolarHBondContact O-CG2 3.4Å; G6-T10 PolarHBondContact O-N 3Å; G6-T10 PolarHBondContact O-OG1 3.47Å
7R63.7Low60.1Low191 Ų191111.4 Ų111.472%0.72160%0.599SS**Hα-helixtrans-72.9-35.1176.4-64.9-158.9-171.1-108.43.4113E3 A4 V5 T10 S11E3-R7 PolarHBondContact O-N 3.38Å; A4-R7 PolarHBondContact O-N 2.87Å; V5-R7 PolarHBondContact O-N 3.13Å; R7-T10 WeakPolarHBondContact CA-OG1 3.28Å; R7-T10 PolarHBondContact O-OG1 3.32Å; R7-S11 WeakPolarHBondContact O-CB 3.46Å; R7-S11 PolarHBondContact O-N 3.24Å; R7-S11 VanDerWaalsContact O-N 3.1Å; R7-S11 PolarHBondContact O-OG 3.44Å
8L62.6Low60.2Low108 Ų108109.1 Ų109.157%0.56561%0.605SS**Hα-helixtrans-67.2-42.3171.9-78.5163.8000111.5A4 V5 T10 S11 L12A4-L8 PolarHBondContact O-N 2.96Å; A4-L8 VanDerWaalsContact O-N 3.14Å; V5-L8 PolarHBondContact O-N 3.47Å; L8-T10 PolarHBondContact O-N 3.11Å; L8-S11 WeakPolarHBondContact CA-OG 3.34Å; L8-S11 PolarHBondContact O-N 2.99Å; L8-S11 PolarHBondContact O-OG 3.24Å; L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.18Å; L8-L12 WeakPolarHBondContact O-CD1 2.93Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.41Å
9A57.5Low59.3Low45 Ų45111.7 Ų111.737%0.37261%0.605SS.*Hα-helixtrans-62.6-40.8177.700000112.5V5 W13V5-A9 WeakPolarHBondContact O-CB 3.27Å; V5-A9 PolarHBondContact O-N 2.92Å; A9-W13 VanDerWaalsContact O-CB 3.3Å; A9-W13 WeakPolarHBondContact O-CB 3.42Å; A9-W13 PolarHBondContact O-N 3Å
10T64.9Low58.7Low83 Ų83110.7 Ų110.751%0.50960%0.596SS.*Hα-helixtrans-72.2-39.6179.544.60000113.1G6 R7 L8 W13 L14G6-T10 WeakPolarHBondContact O-CG2 3.4Å; G6-T10 PolarHBondContact O-N 3Å; G6-T10 PolarHBondContact O-OG1 3.47Å; R7-T10 WeakPolarHBondContact CA-OG1 3.28Å; R7-T10 PolarHBondContact O-OG1 3.32Å; L8-T10 PolarHBondContact O-N 3.11Å; T10-W13 WeakPolarHBondContact O-CB 3.48Å; T10-W13 PolarHBondContact O-N 3.24Å; T10-L14 WeakPolarHBondContact O-CG 3.45Å; T10-L14 PolarHBondContact O-N 3.36Å
11S66.7Low58.4Low61 Ų61109.1 Ų109.143%0.42760%0.599SS.*Hα-helixtrans-67-39173.555.90000112.5R7 L8 R15R7-S11 WeakPolarHBondContact O-CB 3.46Å; R7-S11 PolarHBondContact O-N 3.24Å; R7-S11 VanDerWaalsContact O-N 3.1Å; R7-S11 PolarHBondContact O-OG 3.44Å; L8-S11 WeakPolarHBondContact CA-OG 3.34Å; L8-S11 PolarHBondContact O-N 2.99Å; L8-S11 PolarHBondContact O-OG 3.24Å; S11-R15 PolarHBondContact O-N 3.08Å; S11-R15 VanDerWaalsContact O-N 3.16Å
12L59.7Low58.1Low105 Ų105107.3 Ų107.355%0.5558%0.575SS.*Hα-helixtrans-62.7-43.6170.2-85.1158.4000111.2L8 L14 R15 L16L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.18Å; L8-L12 WeakPolarHBondContact O-CD1 2.93Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.41Å; L12-L14 PolarHBondContact O-N 3.07Å; L12-R15 PolarHBondContact O-N 2.98Å; L12-L16 WeakPolarHBondContact O-CB 2.99Å; L12-L16 PolarHBondContact O-N 2.98Å
13W59.2Low58.3Low162 Ų162106.7 Ų106.761%0.61456%0.559SS**Hα-helixtrans-59.9-45.1177.7-112.898000113A9 T10 R15 L16 R17A9-W13 VanDerWaalsContact O-CB 3.3Å; A9-W13 WeakPolarHBondContact O-CB 3.42Å; A9-W13 PolarHBondContact O-N 3Å; T10-W13 WeakPolarHBondContact O-CB 3.48Å; T10-W13 PolarHBondContact O-N 3.24Å; W13-R15 VanDerWaalsContact C-N 3.29Å; W13-R15 PolarHBondContact O-N 3.33Å; W13-L16 PolarHBondContact O-N 3.47Å; W13-R17 WeakPolarHBondContact O-CB 3.28Å; W13-R17 PolarHBondContact O-N 2.85Å
14L62Low57.8Low129 Ų129101.4 Ų101.468%0.67554%0.542SS*.Hα-helixtrans-64.6-35.9177.6-77.4166.7000112T10 L12 R17T10-L14 WeakPolarHBondContact O-CG 3.45Å; T10-L14 PolarHBondContact O-N 3.36Å; L12-L14 PolarHBondContact O-N 3.07Å; L14-R17 WeakPolarHBondContact O-CB 3.45Å
15R63.3Low57.2Low197 Ų197101 Ų10174%0.74354%0.539SS*.Hα-helixtrans-74.1-37.9175.9-166148.1-82.1177.3-6.8111.2S11 L12 W13 R17 G18 W19S11-R15 PolarHBondContact O-N 3.08Å; S11-R15 VanDerWaalsContact O-N 3.16Å; L12-R15 PolarHBondContact O-N 2.98Å; W13-R15 VanDerWaalsContact C-N 3.29Å; W13-R15 PolarHBondContact O-N 3.33Å; R15-R17 VanDerWaalsContact C-N 3.27Å; R15-R17 PolarHBondContact O-N 3.44Å; R15-G18 PolarHBondContact O-N 3.43Å; R15-W19 VanDerWaalsContact O-CD1 3.26Å
16L55.9Low56.9Low85 Ų8598.4 Ų98.445%0.44553%0.528SS..Hα-helixtrans-63.2-33173.3-117.367.2000112.3L12 W13 G18 W19 E20 L23L12-L16 WeakPolarHBondContact O-CB 2.99Å; L12-L16 PolarHBondContact O-N 2.98Å; W13-L16 PolarHBondContact O-N 3.47Å; L16-G18 VanDerWaalsContact C-N 3.27Å; L16-G18 PolarHBondContact O-N 2.68Å; L16-W19 CarbonylContact O-C 3.23Å; L16-W19 VanDerWaalsContact O-C 3.23Å; L16-W19 WeakPolarHBondContact O-CA 3.19Å; L16-W19 PolarHBondContact O-N 2.98Å; L16-E20 PolarHBondContact O-N 3.11Å; L16-L23 HydrophobicContact CD1-CD1 4.36Å; L16-L23 HydrophobicContact CD2-CD1 4.1Å; L16-L23 HydrophobicContact CG-CD1 3.64Å
17R57.4Low56.1Low166 Ų166102.7 Ų102.763%0.62654%0.538SS*.Hα-helixtrans-60.1-34.5177.4-161163.2-156.9167.93.1113.3W13 L14 R15 W19 E20W13-R17 WeakPolarHBondContact O-CB 3.28Å; W13-R17 PolarHBondContact O-N 2.85Å; L14-R17 WeakPolarHBondContact O-CB 3.45Å; R15-R17 VanDerWaalsContact C-N 3.27Å; R15-R17 PolarHBondContact O-N 3.44Å; R17-W19 VanDerWaalsContact C-N 3.25Å; R17-W19 PolarHBondContact O-N 3.04Å; R17-E20 WeakPolarHBondContact CG-OE2 3.35Å
18G61.9Low55.4Low69 Ų69102.2 Ų102.271%0.71154%0.536SS*.Hα-helixtrans-71.3-22171.700000113.5R15 L16R15-G18 PolarHBondContact O-N 3.43Å; L16-G18 VanDerWaalsContact C-N 3.27Å; L16-G18 PolarHBondContact O-N 2.68Å
19W43.6Very low54.5Low159 Ų159101 Ų10160%0.60253%0.53SS*.THydrogen-bonded Turntrans-102.93.6179.6-70.376.7000112.7R15 L16 R17 A21 V22 L23R15-W19 VanDerWaalsContact O-CD1 3.26Å; L16-W19 CarbonylContact O-C 3.23Å; L16-W19 VanDerWaalsContact O-C 3.23Å; L16-W19 WeakPolarHBondContact O-CA 3.19Å; L16-W19 PolarHBondContact O-N 2.98Å; R17-W19 VanDerWaalsContact C-N 3.25Å; R17-W19 PolarHBondContact O-N 3.04Å; W19-A21 VanDerWaalsContact C-N 3.26Å; W19-A21 PolarHBondContact O-N 2.99Å; W19-V22 HydrophobicContact CE3-CB 4.12Å; W19-V22 HydrophobicContact CE3-CG1 4.13Å; W19-V22 HydrophobicContact CE3-CG2 4.21Å; W19-V22 HydrophobicContact CZ3-CG1 4.42Å; W19-V22 CarbonylContact O-C 3.6Å; W19-V22 PolarHBondContact O-N 3.36Å; W19-L23 HydrophobicContact CB-CD1 4.21Å; W19-L23 WeakPolarHBondContact O-CB 3.46Å; W19-L23 PolarHBondContact O-N 3.45Å
20E47.4Very low54Low91 Ų91105 Ų10543%0.42554%0.544SS..Hα-helixtrans-58-36.5-176.5-98.7-179.4146.300112.1L16 R17 A24L16-E20 PolarHBondContact O-N 3.11Å; R17-E20 WeakPolarHBondContact CG-OE2 3.35Å; E20-A24 WeakPolarHBondContact O-CA 3.39Å; E20-A24 WeakPolarHBondContact O-CB 3.45Å; E20-A24 PolarHBondContact O-N 3.32Å
21A50.7Low53.2Low79 Ų79105.8 Ų105.865%0.65355%0.549SS*.Hα-helixtrans-67.8-37.7176.500000112.3W19 A25W19-A21 VanDerWaalsContact C-N 3.26Å; W19-A21 PolarHBondContact O-N 2.99Å; A21-A25 WeakPolarHBondContact O-CB 3.26Å; A21-A25 PolarHBondContact O-N 2.82Å
22V48.4Very low52.2Low83 Ų83111.9 Ų111.950%0.50356%0.563SS.*Hα-helixtrans-73.8-39.7178.1-179.80000110.4W19 A25 A26W19-V22 HydrophobicContact CE3-CB 4.12Å; W19-V22 HydrophobicContact CE3-CG1 4.13Å; W19-V22 HydrophobicContact CE3-CG2 4.21Å; W19-V22 HydrophobicContact CZ3-CG1 4.42Å; W19-V22 CarbonylContact O-C 3.6Å; W19-V22 PolarHBondContact O-N 3.36Å; V22-A25 PolarHBondContact O-N 3.09Å; V22-A26 WeakPolarHBondContact O-CB 3.34Å; V22-A26 PolarHBondContact O-N 3.06Å
23L52.4Low51.6Low75 Ų75114.8 Ų114.839%0.39357%0.573SS.*Hα-helixtrans-69.8-40175.1-76.9162.4000111.4L16 W19 A25 A26 Q27L16-L23 HydrophobicContact CD1-CD1 4.36Å; L16-L23 HydrophobicContact CD2-CD1 4.1Å; L16-L23 HydrophobicContact CG-CD1 3.64Å; W19-L23 HydrophobicContact CB-CD1 4.21Å; W19-L23 WeakPolarHBondContact O-CB 3.46Å; W19-L23 PolarHBondContact O-N 3.45Å; L23-A25 VanDerWaalsContact C-N 3.33Å; L23-A25 PolarHBondContact O-N 3.3Å; L23-A26 PolarHBondContact O-N 2.74Å; L23-Q27 WeakPolarHBondContact O-CA 3.38Å; L23-Q27 WeakPolarHBondContact O-CB 2.94Å; L23-Q27 PolarHBondContact O-N 2.74Å
24A54.4Low50.9Low48 Ų48111.6 Ų111.640%0.39756%0.564SS.*Hα-helixtrans-66.3-36173.700000111.7E20 R28E20-A24 WeakPolarHBondContact O-CA 3.39Å; E20-A24 WeakPolarHBondContact O-CB 3.45Å; E20-A24 PolarHBondContact O-N 3.32Å; A24-R28 VanDerWaalsContact O-CB 3.29Å; A24-R28 WeakPolarHBondContact O-CB 3.43Å; A24-R28 PolarHBondContact O-N 3.42Å
25A51Low50.1Low51 Ų51108.6 Ų108.642%0.42155%0.552SS.*Hα-helixtrans-68.9-44172.700000111.7A21 V22 L23 Q27 R28 L29A21-A25 WeakPolarHBondContact O-CB 3.26Å; A21-A25 PolarHBondContact O-N 2.82Å; V22-A25 PolarHBondContact O-N 3.09Å; L23-A25 VanDerWaalsContact C-N 3.33Å; L23-A25 PolarHBondContact O-N 3.3Å; A25-Q27 VanDerWaalsContact C-N 3.35Å; A25-R28 PolarHBondContact O-N 3.48Å; A25-L29 WeakPolarHBondContact O-CB 2.97Å; A25-L29 PolarHBondContact O-N 2.63Å
26A50.7Low49.5Very low42 Ų42105.2 Ų105.235%0.34755%0.548SS..Hα-helixtrans-65.5-38.4175.600000111.7V22 L23 L29 L30V22-A26 WeakPolarHBondContact O-CB 3.34Å; V22-A26 PolarHBondContact O-N 3.06Å; L23-A26 PolarHBondContact O-N 2.74Å; A26-L29 CarbonylContact O-C 3.58Å; A26-L29 WeakPolarHBondContact O-CB 3.38Å; A26-L29 PolarHBondContact O-N 3.36Å; A26-L30 WeakPolarHBondContact O-CB 3.48Å; A26-L30 PolarHBondContact O-N 2.78Å
27Q45.3Very low49.2Very low128 Ų128104.8 Ų104.860%0.59854%0.543SS*.Hα-helixtrans-72.2-37.8178.2-166.6170-7.900110.6L23 A25 L30 V31L23-Q27 WeakPolarHBondContact O-CA 3.38Å; L23-Q27 WeakPolarHBondContact O-CB 2.94Å; L23-Q27 PolarHBondContact O-N 2.74Å; A25-Q27 VanDerWaalsContact C-N 3.35Å; Q27-L30 PolarHBondContact O-N 2.8Å; Q27-V31 WeakPolarHBondContact O-CB 3.46Å; Q27-V31 WeakPolarHBondContact O-CG2 3.23Å; Q27-V31 PolarHBondContact O-N 2.91Å
28R49.3Very low49.1Very low180 Ų18098.7 Ų98.768%0.67953%0.527SS*.Hα-helixtrans-65.2-35.1166.3-94.6172.7151.3139.9-6.6113.1A24 A25 V31A24-R28 VanDerWaalsContact O-CB 3.29Å; A24-R28 WeakPolarHBondContact O-CB 3.43Å; A24-R28 PolarHBondContact O-N 3.42Å; A25-R28 PolarHBondContact O-N 3.48Å; R28-V31 PolarHBondContact O-N 3.38Å
29L42.6Very low48.9Very low84 Ų84101.1 Ų101.144%0.4452%0.523SS..Hα-helixtrans-66.2-39.3173.5-119.173000111.8A25 A26A25-L29 WeakPolarHBondContact O-CB 2.97Å; A25-L29 PolarHBondContact O-N 2.63Å; A26-L29 CarbonylContact O-C 3.58Å; A26-L29 WeakPolarHBondContact O-CB 3.38Å; A26-L29 PolarHBondContact O-N 3.36Å
30L47.1Very low49.8Very low127 Ų12796.6 Ų96.667%0.66551%0.512SS*.Hα-helixtrans-76.9-21.9176.2-104.472000113A26 Q27 W32A26-L30 WeakPolarHBondContact O-CB 3.48Å; A26-L30 PolarHBondContact O-N 2.78Å; Q27-L30 PolarHBondContact O-N 2.8Å; L30-W32 VanDerWaalsContact C-N 3.34Å; L30-W32 PolarHBondContact O-N 3.33Å
31V48Very low50.8Low101 Ų10194.9 Ų94.961%0.61251%0.508SS*.THydrogen-bonded Turntrans-87.722.4-175.8157.20000114.6Q27 R28Q27-V31 WeakPolarHBondContact O-CB 3.46Å; Q27-V31 WeakPolarHBondContact O-CG2 3.23Å; Q27-V31 PolarHBondContact O-N 2.91Å; R28-V31 PolarHBondContact O-N 3.38Å
32W46.8Very low51.3Low189 Ų18993.7 Ų93.772%0.71650%0.498SS*.THydrogen-bonded Turntrans6944160.7-90.577.9000117.1L30 P35L30-W32 VanDerWaalsContact C-N 3.34Å; L30-W32 PolarHBondContact O-N 3.33Å; W32-P35 HydrophobicContact CE3-CB 4.36Å; W32-P35 HydrophobicContact CE3-CG 4.47Å; W32-P35 HydrophobicContact CH2-CB 4.37Å; W32-P35 HydrophobicContact CZ3-CB 4.24Å; W32-P35 HydrophobicContact CZ3-CG 4.27Å
33E45.5Very low52.1Low165 Ų16592.6 Ų92.677%0.77150%0.498SS*.SBendtrans-89.9-23.6160.5-93-175.2103.900113.5
34K44.8Very low53.1Low96 Ų9690.8 Ų90.842%0.41749%0.49SS..  trans-149.394.5170.5-63.9-178-178.3154.30112.6L36 H37K34-L36 PolarHBondContact O-N 3.37Å; K34-L36 VanDerWaalsContact O-N 3.11Å; K34-H37 PolarHBondContact O-N 3.46Å; K34-H37 VanDerWaalsContact O-N 3.11Å
35P46Very low53.9Low66 Ų6694 Ų9443%0.42950%0.5SS..Hα-helixtrans-61.9-25.1-17424.7-34.3000113.8W32 H37 L39W32-P35 HydrophobicContact CE3-CB 4.36Å; W32-P35 HydrophobicContact CE3-CG 4.47Å; W32-P35 HydrophobicContact CH2-CB 4.37Å; W32-P35 HydrophobicContact CZ3-CB 4.24Å; W32-P35 HydrophobicContact CZ3-CG 4.27Å; P35-H37 VanDerWaalsContact C-N 3.34Å; P35-H37 PolarHBondContact O-N 3.11Å; P35-L39 WeakPolarHBondContact O-CB 3.32Å; P35-L39 PolarHBondContact O-N 3.12Å
36L51.2Low54.7Low126 Ų12696.2 Ų96.266%0.6651%0.505SS*.Hα-helixtrans-66.9-33.6178.2-62.3176.7000112.5K34 V40K34-L36 PolarHBondContact O-N 3.37Å; K34-L36 VanDerWaalsContact O-N 3.11Å; L36-V40 VanDerWaalsContact O-CB 3.31Å; L36-V40 WeakPolarHBondContact O-CB 3.19Å; L36-V40 WeakPolarHBondContact O-CG2 3.13Å; L36-V40 PolarHBondContact O-N 3.11Å
37H48.8Very low55.6Low75 Ų7595.5 Ų95.535%0.34750%0.501SS..Hα-helixtrans-75.2-40.8-177.6-76.3-78.3000112.3K34 P35 L39 V40 T41K34-H37 PolarHBondContact O-N 3.46Å; K34-H37 VanDerWaalsContact O-N 3.11Å; P35-H37 VanDerWaalsContact C-N 3.34Å; P35-H37 PolarHBondContact O-N 3.11Å; H37-L39 VanDerWaalsContact C-N 3.32Å; H37-V40 PolarHBondContact O-N 3.45Å; H37-T41 WeakPolarHBondContact O-CG2 3.12Å; H37-T41 PolarHBondContact O-N 2.9Å; H37-T41 PolarHBondContact O-OG1 2.92Å
38S54.4Low56.7Low39 Ų3991.2 Ų91.227%0.27348%0.482SS..Hα-helixtrans-65.7-37.6174.6-172.20000111.6T41 A42S38-T41 WeakPolarHBondContact CA-OG1 3.31Å; S38-T41 PolarHBondContact O-OG1 2.75Å; S38-A42 VanDerWaalsContact O-CB 3.24Å; S38-A42 WeakPolarHBondContact O-CB 3.19Å; S38-A42 PolarHBondContact O-N 2.79Å
39L58.1Low57.4Low120 Ų12089.2 Ų89.263%0.62848%0.479SS*.Hα-helixtrans-66.1-44.8175.3-168.684.5000111.1P35 H37 A42 A43P35-L39 WeakPolarHBondContact O-CB 3.32Å; P35-L39 PolarHBondContact O-N 3.12Å; H37-L39 VanDerWaalsContact C-N 3.32Å; L39-A42 PolarHBondContact O-N 3.43Å; L39-A43 WeakPolarHBondContact O-CB 3.2Å; L39-A43 PolarHBondContact O-N 3.06Å
40V63.8Low58.4Low64 Ų6493.4 Ų93.439%0.38849%0.489SS..Hα-helixtrans-64.9-42.5178.4167.80000110.7L36 H37 A43 T44 L72L36-V40 VanDerWaalsContact O-CB 3.31Å; L36-V40 WeakPolarHBondContact O-CB 3.19Å; L36-V40 WeakPolarHBondContact O-CG2 3.13Å; L36-V40 PolarHBondContact O-N 3.11Å; H37-V40 PolarHBondContact O-N 3.45Å; V40-A43 PolarHBondContact O-N 3.28Å; V40-T44 VanDerWaalsContact O-CB 3.23Å; V40-T44 WeakPolarHBondContact O-CB 3.06Å; V40-T44 PolarHBondContact O-N 3.01Å; V40-T44 PolarHBondContact O-OG1 2.88Å; V40-L72 HydrophobicContact CG1-CD2 4.2Å
41T66.9Low59.1Low55 Ų5591.8 Ų91.834%0.33748%0.48SS..Hα-helixtrans-65.4-42.117647.90000111.7H37 S38 T44 L45H37-T41 WeakPolarHBondContact O-CG2 3.12Å; H37-T41 PolarHBondContact O-N 2.9Å; H37-T41 PolarHBondContact O-OG1 2.92Å; S38-T41 WeakPolarHBondContact CA-OG1 3.31Å; S38-T41 PolarHBondContact O-OG1 2.75Å; T41-T44 PolarHBondContact O-N 3.38Å; T41-L45 WeakPolarHBondContact O-CB 3.45Å; T41-L45 VanDerWaalsContact O-CG 3.29Å; T41-L45 WeakPolarHBondContact O-CG 3.49Å; T41-L45 PolarHBondContact O-N 3.23Å
42A61.1Low59.6Low54 Ų5491.8 Ų91.845%0.44648%0.477SS..Hα-helixtrans-66-42177.100000111.8S38 L39 T44 L45 N46S38-A42 VanDerWaalsContact O-CB 3.24Å; S38-A42 WeakPolarHBondContact O-CB 3.19Å; S38-A42 PolarHBondContact O-N 2.79Å; L39-A42 PolarHBondContact O-N 3.43Å; A42-T44 VanDerWaalsContact C-N 3.34Å; A42-L45 PolarHBondContact O-N 3.4Å; A42-N46 WeakPolarHBondContact O-CB 3.2Å; A42-N46 PolarHBondContact O-N 2.79Å
43A65.9Low60.4Low59 Ų5987.7 Ų87.749%0.48848%0.477SS..Hα-helixtrans-68.1-34.917600000111.9L39 V40 G47L39-A43 WeakPolarHBondContact O-CB 3.2Å; L39-A43 PolarHBondContact O-N 3.06Å; V40-A43 PolarHBondContact O-N 3.28Å; A43-G47 WeakPolarHBondContact O-CA 3.36Å; A43-G47 PolarHBondContact O-N 2.96Å
44T72.9Confident61.1Low38 Ų3884.8 Ų84.823%0.23348%0.475CS..Hα-helixtrans-67.9-46.5174.4-55.80000110.3V40 T41 A42 L48 L68V40-T44 VanDerWaalsContact O-CB 3.23Å; V40-T44 WeakPolarHBondContact O-CB 3.06Å; V40-T44 PolarHBondContact O-N 3.01Å; V40-T44 PolarHBondContact O-OG1 2.88Å; T41-T44 PolarHBondContact O-N 3.38Å; A42-T44 VanDerWaalsContact C-N 3.34Å; T44-L48 WeakPolarHBondContact O-CA 3.32Å; T44-L48 WeakPolarHBondContact O-CB 3.39Å; T44-L48 PolarHBondContact O-N 3.25Å; T44-L68 HydrophobicContact CG2-CD2 4Å
45L70.6Confident61.9Low116 Ų11682.1 Ų82.161%0.60747%0.468SS*.Hα-helixtrans-65.1-40.6176.9-71.9173.8000112.1T41 A42 L48 F49T41-L45 WeakPolarHBondContact O-CB 3.45Å; T41-L45 VanDerWaalsContact O-CG 3.29Å; T41-L45 WeakPolarHBondContact O-CG 3.49Å; T41-L45 PolarHBondContact O-N 3.23Å; A42-L45 PolarHBondContact O-N 3.4Å; L45-L48 HydrophobicContact CD2-CD2 4.43Å; L45-L48 WeakPolarHBondContact O-CB 3.5Å; L45-L48 PolarHBondContact O-N 3.43Å; L45-F49 WeakPolarHBondContact O-CB 3.29Å; L45-F49 PolarHBondContact O-N 3.35Å
46N68.1Low62.3Low96 Ų9684.5 Ų84.551%0.51349%0.486SS..Hα-helixtrans-68.4-47.5177-170.437.5000111.2A42 L48 F49 W50A42-N46 WeakPolarHBondContact O-CB 3.2Å; A42-N46 PolarHBondContact O-N 2.79Å; N46-L48 VanDerWaalsContact C-N 3.3Å; N46-L48 PolarHBondContact O-N 3.5Å; N46-F49 PolarHBondContact O-N 2.82Å; N46-W50 VanDerWaalsContact O-CD1 3.28Å; N46-W50 PolarHBondContact O-N 2.86Å
47G69.3Low62.6Low27 Ų2784.2 Ų84.228%0.27849%0.485SS..Hα-helixtrans-60.5-40.3173.500000111.9A43 W50 L51A43-G47 WeakPolarHBondContact O-CA 3.36Å; A43-G47 PolarHBondContact O-N 2.96Å; G47-W50 PolarHBondContact O-N 3.3Å; G47-L51 WeakPolarHBondContact O-CB 3.34Å; G47-L51 WeakPolarHBondContact O-CD1 3.35Å; G47-L51 WeakPolarHBondContact O-CG 3.21Å; G47-L51 PolarHBondContact O-N 2.88Å
48L68.4Low63.2Low39 Ų3990.3 Ų90.320%0.20451%0.505CS..Hα-helixtrans-60-47.8174.2172.552.5000111.3T44 L45 N46 L51 L52 F61 I65T44-L48 WeakPolarHBondContact O-CA 3.32Å; T44-L48 WeakPolarHBondContact O-CB 3.39Å; T44-L48 PolarHBondContact O-N 3.25Å; L45-L48 HydrophobicContact CD2-CD2 4.43Å; L45-L48 WeakPolarHBondContact O-CB 3.5Å; L45-L48 PolarHBondContact O-N 3.43Å; N46-L48 VanDerWaalsContact C-N 3.3Å; N46-L48 PolarHBondContact O-N 3.5Å; L48-L51 PolarHBondContact O-N 2.81Å; L48-L52 HydrophobicContact CD1-CD1 3.64Å; L48-L52 HydrophobicContact CD1-CG 3.98Å; L48-L52 HydrophobicContact CG-CD1 3.85Å; L48-L52 VanDerWaalsContact O-CB 3.32Å; L48-L52 WeakPolarHBondContact O-CB 3.42Å; L48-L52 WeakPolarHBondContact O-CD1 3.29Å; L48-L52 WeakPolarHBondContact O-CG 3.36Å; L48-L52 PolarHBondContact O-N 3.25Å; L48-F61 HydrophobicContact CD1-CE1 3.33Å; L48-F61 HydrophobicContact CD1-CE2 4.36Å; L48-F61 HydrophobicContact CD1-CZ 3.23Å; L48-F61 HydrophobicContact CG-CZ 4.47Å; L48-I65 HydrophobicContact CD1-CD1 3.17Å; L48-I65 HydrophobicContact CD1-CG1 3.93Å; L48-I65 HydrophobicContact CD2-CG2 4.45Å; L48-I65 HydrophobicContact CG-CD1 4.44Å
49F65.3Low63.4Low138 Ų13892.5 Ų92.561%0.60552%0.518SS*.Hα-helixtrans-60.3-47.1176.2176.2-98.9000112.1L45 N46 L52 S53L45-F49 WeakPolarHBondContact O-CB 3.29Å; L45-F49 PolarHBondContact O-N 3.35Å; N46-F49 PolarHBondContact O-N 2.82Å; F49-L52 PolarHBondContact O-N 2.98Å; F49-S53 PolarHBondContact O-N 2.96Å
50W62.4Low63.7Low172 Ų17294.4 Ų94.465%0.65252%0.521SS*.Hα-helixtrans-63.2-42.7177-88.485.9000112.7N46 G47 S53 S54N46-W50 VanDerWaalsContact O-CD1 3.28Å; N46-W50 PolarHBondContact O-N 2.86Å; G47-W50 PolarHBondContact O-N 3.3Å; W50-S53 WeakPolarHBondContact O-CB 3.42Å; W50-S53 PolarHBondContact O-N 3.43Å; W50-S54 WeakPolarHBondContact O-CB 3.15Å; W50-S54 PolarHBondContact O-N 2.96Å
51L61.7Low63.7Low92 Ų9292.4 Ų92.448%0.48251%0.508SS..Hα-helixtrans-72-32.7178.5-70.8162.2000112G47 L48 S53 S54 S55 F61G47-L51 WeakPolarHBondContact O-CB 3.34Å; G47-L51 WeakPolarHBondContact O-CD1 3.35Å; G47-L51 WeakPolarHBondContact O-CG 3.21Å; G47-L51 PolarHBondContact O-N 2.88Å; L48-L51 PolarHBondContact O-N 2.81Å; L51-S53 VanDerWaalsContact C-N 3.32Å; L51-S54 PolarHBondContact O-N 2.83Å; L51-S55 WeakPolarHBondContact O-CA 3.37Å; L51-S55 WeakPolarHBondContact O-CB 3.24Å; L51-S55 PolarHBondContact O-N 2.77Å; L51-F61 HydrophobicContact CB-CD2 3.97Å; L51-F61 HydrophobicContact CB-CE1 4.47Å; L51-F61 HydrophobicContact CB-CE2 3.08Å; L51-F61 HydrophobicContact CB-CZ 3.33Å; L51-F61 HydrophobicContact CD1-CE2 3.64Å; L51-F61 HydrophobicContact CD1-CZ 4.4Å; L51-F61 HydrophobicContact CG-CE2 3.9Å; L51-F61 HydrophobicContact CG-CZ 4.47Å
52L60.2Low63.8Low102 Ų10294.7 Ų94.753%0.53452%0.517SS..Hα-helixtrans-63-40.2169.7-79.4158000111.3L48 F49 S54 F61L48-L52 HydrophobicContact CD1-CD1 3.64Å; L48-L52 HydrophobicContact CD1-CG 3.98Å; L48-L52 HydrophobicContact CG-CD1 3.85Å; L48-L52 VanDerWaalsContact O-CB 3.32Å; L48-L52 WeakPolarHBondContact O-CB 3.42Å; L48-L52 WeakPolarHBondContact O-CD1 3.29Å; L48-L52 WeakPolarHBondContact O-CG 3.36Å; L48-L52 PolarHBondContact O-N 3.25Å; F49-L52 PolarHBondContact O-N 2.98Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-F61 HydrophobicContact CB-CE1 4.47Å; L52-F61 HydrophobicContact CD1-CE1 4.42Å; L52-F61 HydrophobicContact CD2-CD1 4.19Å; L52-F61 HydrophobicContact CD2-CE1 3.66Å; L52-F61 HydrophobicContact CG-CD1 4.46Å; L52-F61 HydrophobicContact CG-CE1 3.51Å; L52-F61 HydrophobicContact CG-CZ 4.12Å
53S62.9Low64.2Low103 Ų10397.3 Ų97.372%0.7252%0.523SS*.Hα-helixtrans-69.3-31176.4-170.10000112.4F49 W50 L51F49-S53 PolarHBondContact O-N 2.96Å; W50-S53 WeakPolarHBondContact O-CB 3.42Å; W50-S53 PolarHBondContact O-N 3.43Å; L51-S53 VanDerWaalsContact C-N 3.32Å
54S61.3Low64.2Low104 Ų10498.2 Ų98.273%0.72753%0.526SS*.Hα-helixtrans-94-26.2-176.8-167.90000113.5W50 L51 L52W50-S54 WeakPolarHBondContact O-CB 3.15Å; W50-S54 PolarHBondContact O-N 2.96Å; L51-S54 PolarHBondContact O-N 2.83Å; L52-S54 VanDerWaalsContact C-N 3.32Å
55S60.5Low63.9Low39 Ų3997.9 Ų97.927%0.27352%0.523SS..  trans-10791.2-168.7-155.30000112.1L51 L57L51-S55 WeakPolarHBondContact O-CA 3.37Å; L51-S55 WeakPolarHBondContact O-CB 3.24Å; L51-S55 PolarHBondContact O-N 2.77Å; S55-L57 PolarHBondContact O-N 2.9Å
56S54.8Low63.8Low117 Ų11795.9 Ų95.982%0.81852%0.518SS*.  trans-73.425165.1-153.40000112.9
57L56.5Low64Low120 Ų12095.3 Ų95.363%0.62852%0.515SS*.  trans-122.471.9-177.7-76.1157.4000110S55 P59S55-L57 PolarHBondContact O-N 2.9Å; L57-P59 VanDerWaalsContact C-CD 3.42Å
58R61.9Low64Low202 Ų20297.9 Ų97.976%0.76252%0.521SS*.Hα-helixtrans-54.4-34.9-164.2-80.5165.6177.6167.2-1118.9L62R58-L62 WeakPolarHBondContact O-CD1 3.48Å; R58-L62 WeakPolarHBondContact O-CG 3.35Å
59P58.3Low64Low85 Ų8599.3 Ų99.355%0.55253%0.532SS*.Hα-helixtrans-80.6-42.6-173.627-31.2000113.7L57 F61 L62 L63L57-P59 VanDerWaalsContact C-CD 3.42Å; P59-F61 VanDerWaalsContact C-N 3.31Å; P59-F61 PolarHBondContact O-N 3.41Å; P59-L62 PolarHBondContact O-N 3.39Å; P59-L63 WeakPolarHBondContact O-CB 3.48Å; P59-L63 PolarHBondContact O-N 3.41Å; P59-L63 VanDerWaalsContact O-N 3.1Å
60F65.4Low64.2Low160 Ų160100 Ų10070%0.70253%0.532SS*.Hα-helixtrans-67.3-34.9-174.8-71-77.1000113L63 S64F60-L63 PolarHBondContact O-N 2.96Å; F60-S64 PolarHBondContact O-N 3.32Å
61F63.2Low64.3Low23 Ų2398 Ų9810%0.10153%0.528CS..Hα-helixtrans-70.1-46.2-179.7179.4-110.1000112.2L48 L51 L52 P59 L63 S64 I65L48-F61 HydrophobicContact CD1-CE1 3.33Å; L48-F61 HydrophobicContact CD1-CE2 4.36Å; L48-F61 HydrophobicContact CD1-CZ 3.23Å; L48-F61 HydrophobicContact CG-CZ 4.47Å; L51-F61 HydrophobicContact CB-CD2 3.97Å; L51-F61 HydrophobicContact CB-CE1 4.47Å; L51-F61 HydrophobicContact CB-CE2 3.08Å; L51-F61 HydrophobicContact CB-CZ 3.33Å; L51-F61 HydrophobicContact CD1-CE2 3.64Å; L51-F61 HydrophobicContact CD1-CZ 4.4Å; L51-F61 HydrophobicContact CG-CE2 3.9Å; L51-F61 HydrophobicContact CG-CZ 4.47Å; L52-F61 HydrophobicContact CB-CE1 4.47Å; L52-F61 HydrophobicContact CD1-CE1 4.42Å; L52-F61 HydrophobicContact CD2-CD1 4.19Å; L52-F61 HydrophobicContact CD2-CE1 3.66Å; L52-F61 HydrophobicContact CG-CD1 4.46Å; L52-F61 HydrophobicContact CG-CE1 3.51Å; L52-F61 HydrophobicContact CG-CZ 4.12Å; P59-F61 VanDerWaalsContact C-N 3.31Å; P59-F61 PolarHBondContact O-N 3.41Å; F61-L63 PolarHBondContact O-N 2.78Å; F61-S64 PolarHBondContact O-N 3.11Å; F61-I65 HydrophobicContact CD1-CD1 3.68Å; F61-I65 HydrophobicContact CD2-CD1 4.24Å; F61-I65 HydrophobicContact CE1-CD1 3.34Å; F61-I65 HydrophobicContact CE1-CG1 4.46Å; F61-I65 HydrophobicContact CE2-CD1 3.89Å; F61-I65 HydrophobicContact CE2-CG1 4.22Å; F61-I65 HydrophobicContact CG-CD1 4.15Å; F61-I65 HydrophobicContact CZ-CD1 3.52Å; F61-I65 HydrophobicContact CZ-CG1 4.22Å; F61-I65 VanDerWaalsContact O-CD1 3.26Å; F61-I65 WeakPolarHBondContact O-CD1 3.4Å; F61-I65 WeakPolarHBondContact O-CG1 3Å; F61-I65 PolarHBondContact O-N 3.33Å; F61-I65 VanDerWaalsContact O-N 3.09Å
62L68.8Low64.4Low103 Ų10396.8 Ų96.854%0.53952%0.522SS..Hα-helixtrans-58.9-39.5173.3-70.6175.9000111.6R58 P59 S66R58-L62 WeakPolarHBondContact O-CD1 3.48Å; R58-L62 WeakPolarHBondContact O-CG 3.35Å; P59-L62 PolarHBondContact O-N 3.39Å; L62-S66 VanDerWaalsContact O-CB 3.28Å; L62-S66 WeakPolarHBondContact O-CB 3.45Å; L62-S66 PolarHBondContact O-N 3.36Å; L62-S66 PolarHBondContact O-OG 3.33Å
63L70.1Confident64.4Low108 Ų10897.2 Ų97.257%0.56552%0.524SS*.Hα-helixtrans-62.2-49.7177.4-146.9138.7000110.4P59 F60 F61 I65 S66 L67P59-L63 WeakPolarHBondContact O-CB 3.48Å; P59-L63 PolarHBondContact O-N 3.41Å; P59-L63 VanDerWaalsContact O-N 3.1Å; F60-L63 PolarHBondContact O-N 2.96Å; F61-L63 PolarHBondContact O-N 2.78Å; L63-I65 PolarHBondContact O-N 3.19Å; L63-S66 PolarHBondContact O-N 3.21Å; L63-L67 HydrophobicContact CD2-CD1 3.56Å; L63-L67 HydrophobicContact CG-CD1 4.19Å; L63-L67 WeakPolarHBondContact O-CD1 3.14Å; L63-L67 PolarHBondContact O-N 3.41Å
64S64.7Low64.2Low79 Ų7996.7 Ų96.755%0.55251%0.513SS*.Hα-helixtrans-57.3-46.7178.3-176.30000113.4F60 F61 L67 L68F60-S64 PolarHBondContact O-N 3.32Å; F61-S64 PolarHBondContact O-N 3.11Å; S64-L67 PolarHBondContact O-N 3.46Å; S64-L68 WeakPolarHBondContact O-CB 3.5Å; S64-L68 PolarHBondContact O-N 2.81Å
65I67.9Low64.1Low31 Ų3197.9 Ų97.916%0.15951%0.511CS..Hα-helixtrans-66.7-42178.6-59.6147000111.2L48 F61 L63 L67 L68 T69L48-I65 HydrophobicContact CD1-CD1 3.17Å; L48-I65 HydrophobicContact CD1-CG1 3.93Å; L48-I65 HydrophobicContact CD2-CG2 4.45Å; L48-I65 HydrophobicContact CG-CD1 4.44Å; F61-I65 HydrophobicContact CD1-CD1 3.68Å; F61-I65 HydrophobicContact CD2-CD1 4.24Å; F61-I65 HydrophobicContact CE1-CD1 3.34Å; F61-I65 HydrophobicContact CE1-CG1 4.46Å; F61-I65 HydrophobicContact CE2-CD1 3.89Å; F61-I65 HydrophobicContact CE2-CG1 4.22Å; F61-I65 HydrophobicContact CG-CD1 4.15Å; F61-I65 HydrophobicContact CZ-CD1 3.52Å; F61-I65 HydrophobicContact CZ-CG1 4.22Å; F61-I65 VanDerWaalsContact O-CD1 3.26Å; F61-I65 WeakPolarHBondContact O-CD1 3.4Å; F61-I65 WeakPolarHBondContact O-CG1 3Å; F61-I65 PolarHBondContact O-N 3.33Å; F61-I65 VanDerWaalsContact O-N 3.09Å; L63-I65 PolarHBondContact O-N 3.19Å; I65-L67 VanDerWaalsContact C-N 3.32Å; I65-L67 PolarHBondContact O-N 2.86Å; I65-L68 WeakPolarHBondContact O-CB 3.32Å; I65-L68 PolarHBondContact O-N 2.87Å; I65-L68 VanDerWaalsContact O-N 3.11Å; I65-T69 PolarHBondContact O-N 2.71Å; I65-T69 PolarHBondContact O-OG1 3.28Å; I65-T69 VanDerWaalsContact O-OG1 3.11Å
66S68.9Low63.6Low73 Ų73101.5 Ų101.551%0.5152%0.518SS..Hα-helixtrans-61.7-42.9-179.4-59.20000110.9L62 L63 Y70L62-S66 VanDerWaalsContact O-CB 3.28Å; L62-S66 WeakPolarHBondContact O-CB 3.45Å; L62-S66 PolarHBondContact O-N 3.36Å; L62-S66 PolarHBondContact O-OG 3.33Å; L63-S66 PolarHBondContact O-N 3.21Å; S66-Y70 WeakPolarHBondContact O-CB 3.11Å; S66-Y70 PolarHBondContact O-N 2.76Å
67L72Confident63.3Low85 Ų85102.4 Ų102.445%0.44551%0.509SS..Hα-helixtrans-61.8-44172.5-87.184.8000111.3L63 S64 I65 Y70 F71L63-L67 HydrophobicContact CD2-CD1 3.56Å; L63-L67 HydrophobicContact CG-CD1 4.19Å; L63-L67 WeakPolarHBondContact O-CD1 3.14Å; L63-L67 PolarHBondContact O-N 3.41Å; S64-L67 PolarHBondContact O-N 3.46Å; I65-L67 VanDerWaalsContact C-N 3.32Å; I65-L67 PolarHBondContact O-N 2.86Å; L67-Y70 WeakPolarHBondContact O-CB 3.5Å; L67-Y70 PolarHBondContact O-N 3.43Å; L67-F71 WeakPolarHBondContact O-CD2 3.35Å; L67-F71 PolarHBondContact O-N 3Å
68L67.9Low63Low80 Ų80101.4 Ų101.442%0.41951%0.51SS..Hα-helixtrans-62-45.8180-170.266.6000111.8T44 S64 I65 Y70 F71 L72T44-L68 HydrophobicContact CG2-CD2 4Å; S64-L68 WeakPolarHBondContact O-CB 3.5Å; S64-L68 PolarHBondContact O-N 2.81Å; I65-L68 WeakPolarHBondContact O-CB 3.32Å; I65-L68 PolarHBondContact O-N 2.87Å; I65-L68 VanDerWaalsContact O-N 3.11Å; L68-Y70 VanDerWaalsContact C-N 3.32Å; L68-Y70 PolarHBondContact O-N 3.23Å; L68-F71 PolarHBondContact O-N 2.88Å; L68-L72 HydrophobicContact CD1-CD1 4.23Å; L68-L72 HydrophobicContact CG-CD1 4.28Å; L68-L72 WeakPolarHBondContact O-CD1 3.13Å; L68-L72 PolarHBondContact O-N 3.27Å
69T70Confident62.5Low70 Ų70100.7 Ų100.743%0.42951%0.507SS..Hα-helixtrans-61.8-40.7174.8-57.50000111.6I65 L72 L73I65-T69 PolarHBondContact O-N 2.71Å; I65-T69 PolarHBondContact O-OG1 3.28Å; I65-T69 VanDerWaalsContact O-OG1 3.11Å; T69-L72 PolarHBondContact O-N 2.91Å; T69-L73 HydrophobicContact CG2-CD1 4.12Å; T69-L73 WeakPolarHBondContact O-CG 3.45Å; T69-L73 PolarHBondContact O-N 3.37Å
70Y67.9Low61.9Low152 Ų152101.8 Ų101.860%0.59650%0.503SS*.Hα-helixtrans-61.8-49.7176.7-177.9-91.7000112.1S66 L67 L68 L72 L73 D74S66-Y70 WeakPolarHBondContact O-CB 3.11Å; S66-Y70 PolarHBondContact O-N 2.76Å; L67-Y70 WeakPolarHBondContact O-CB 3.5Å; L67-Y70 PolarHBondContact O-N 3.43Å; L68-Y70 VanDerWaalsContact C-N 3.32Å; L68-Y70 PolarHBondContact O-N 3.23Å; Y70-L72 VanDerWaalsContact C-N 3.26Å; Y70-L72 PolarHBondContact O-N 3.16Å; Y70-L73 WeakPolarHBondContact O-CB 3.33Å; Y70-L73 PolarHBondContact O-N 3.49Å; Y70-L73 VanDerWaalsContact O-N 3.13Å; Y70-D74 WeakPolarHBondContact O-CB 3.34Å; Y70-D74 PolarHBondContact O-N 2.97Å
71F66.2Low60.9Low131 Ų131100.1 Ų100.158%0.57550%0.501SS*.Hα-helixtrans-59.8-37.3175.8-82.6-67.2000112.5L67 L68 D74 L75L67-F71 WeakPolarHBondContact O-CD2 3.35Å; L67-F71 PolarHBondContact O-N 3Å; L68-F71 PolarHBondContact O-N 2.88Å; F71-D74 PolarHBondContact O-N 3.3Å; F71-L75 WeakPolarHBondContact O-CB 3.43Å; F71-L75 PolarHBondContact O-N 3.44Å
72L62.8Low59.9Low66 Ų66103.6 Ų103.635%0.34653%0.526SS..Hα-helixtrans-65.3-39.8176.2-98.972.6000112.3V40 L68 T69 Y70 W76V40-L72 HydrophobicContact CG1-CD2 4.2Å; L68-L72 HydrophobicContact CD1-CD1 4.23Å; L68-L72 HydrophobicContact CG-CD1 4.28Å; L68-L72 WeakPolarHBondContact O-CD1 3.13Å; L68-L72 PolarHBondContact O-N 3.27Å; T69-L72 PolarHBondContact O-N 2.91Å; Y70-L72 VanDerWaalsContact C-N 3.26Å; Y70-L72 PolarHBondContact O-N 3.16Å; L72-W76 PolarHBondContact O-N 2.98Å
73L59.7Low58.8Low111 Ų111105.5 Ų105.558%0.58154%0.537SS*.Hα-helixtrans-68.1-42.8175.7-75.5164.9000111.6T69 Y70 L75 W76 H77T69-L73 HydrophobicContact CG2-CD1 4.12Å; T69-L73 WeakPolarHBondContact O-CG 3.45Å; T69-L73 PolarHBondContact O-N 3.37Å; Y70-L73 WeakPolarHBondContact O-CB 3.33Å; Y70-L73 PolarHBondContact O-N 3.49Å; Y70-L73 VanDerWaalsContact O-N 3.13Å; L73-L75 VanDerWaalsContact C-N 3.31Å; L73-L75 PolarHBondContact O-N 3.1Å; L73-W76 WeakPolarHBondContact O-CA 3.26Å; L73-W76 VanDerWaalsContact O-CB 3.28Å; L73-W76 WeakPolarHBondContact O-CB 3.43Å; L73-W76 PolarHBondContact O-N 3.45Å; L73-H77 PolarHBondContact O-N 3.07Å; L73-H77 VanDerWaalsContact O-N 3.07Å
74D59.8Low57.8Low91 Ų91107 Ų10749%0.48755%0.55SS..Hα-helixtrans-59.8-42.7177.3-167.576.1000111.2Y70 F71 W76 H77 P78Y70-D74 WeakPolarHBondContact O-CB 3.34Å; Y70-D74 PolarHBondContact O-N 2.97Å; F71-D74 PolarHBondContact O-N 3.3Å; D74-W76 PolarHBondContact O-N 3.3Å; D74-H77 PolarHBondContact O-N 3.39Å; D74-P78 VanDerWaalsContact O-CD 3.27Å; D74-P78 WeakPolarHBondContact O-CD 3.47Å
75L59.1Low56.9Low130 Ų130107.6 Ų107.668%0.68155%0.554SS**THydrogen-bonded Turntrans-66.7-19.1175-153.173.2000113.4F71 L73F71-L75 WeakPolarHBondContact O-CB 3.43Å; F71-L75 PolarHBondContact O-N 3.44Å; L73-L75 VanDerWaalsContact C-N 3.31Å; L73-L75 PolarHBondContact O-N 3.1Å
76W50.4Low55.9Low114 Ų114110.1 Ų110.143%0.43258%0.58SS.*THydrogen-bonded Turntrans-89.4-33.1-178.7-144.179.4000112.3L72 L73 D74 P78 R79 F80L72-W76 PolarHBondContact O-N 2.98Å; L73-W76 WeakPolarHBondContact O-CA 3.26Å; L73-W76 VanDerWaalsContact O-CB 3.28Å; L73-W76 WeakPolarHBondContact O-CB 3.43Å; L73-W76 PolarHBondContact O-N 3.45Å; D74-W76 PolarHBondContact O-N 3.3Å; W76-P78 VanDerWaalsContact C-CD 3.45Å; W76-R79 PolarHBondContact O-N 3.44Å; W76-R79 VanDerWaalsContact O-N 3.08Å; W76-F80 AromaticContact CD1-CE2 3.89Å; W76-F80 AromaticContact CD2-CD2 3.26Å; W76-F80 HydrophobicContact CD2-CD2 3.26Å; W76-F80 AromaticContact CD2-CE2 3.13Å; W76-F80 HydrophobicContact CD2-CE2 3.13Å; W76-F80 HydrophobicContact CD2-CG 4.18Å; W76-F80 AromaticContact CD2-CZ 3.94Å; W76-F80 HydrophobicContact CD2-CZ 3.94Å; W76-F80 AromaticContact CE2-CD2 3.57Å; W76-F80 AromaticContact CE2-CE2 2.9Å; W76-F80 AromaticContact CE2-CZ 3.28Å; W76-F80 HydrophobicContact CE3-CB 4.3Å; W76-F80 HydrophobicContact CE3-CD1 4.31Å; W76-F80 AromaticContact CE3-CD2 3.13Å; W76-F80 HydrophobicContact CE3-CD2 3.13Å; W76-F80 AromaticContact CE3-CE2 3.48Å; W76-F80 HydrophobicContact CE3-CE2 3.48Å; W76-F80 VanDerWaalsContact CE3-CE2 3.48Å; W76-F80 AromaticContact CE3-CG 3.62Å; W76-F80 HydrophobicContact CE3-CG 3.62Å; W76-F80 HydrophobicContact CE3-CZ 4.18Å; W76-F80 AromaticContact CG-CD2 3.99Å; W76-F80 HydrophobicContact CG-CD2 3.99Å; W76-F80 AromaticContact CG-CE2 3.81Å; W76-F80 HydrophobicContact CG-CE2 3.81Å; W76-F80 AromaticContact CH2-CD1 3.51Å; W76-F80 HydrophobicContact CH2-CD1 3.51Å; W76-F80 AromaticContact CH2-CD2 3.65Å; W76-F80 HydrophobicContact CH2-CD2 3.65Å; W76-F80 AromaticContact CH2-CE1 3.23Å; W76-F80 HydrophobicContact CH2-CE1 3.23Å; W76-F80 AromaticContact CH2-CE2 3.43Å; W76-F80 HydrophobicContact CH2-CE2 3.43Å; W76-F80 VanDerWaalsContact CH2-CE2 3.43Å; W76-F80 AromaticContact CH2-CG 3.71Å; W76-F80 HydrophobicContact CH2-CG 3.71Å; W76-F80 AromaticContact CH2-CZ 3.2Å; W76-F80 HydrophobicContact CH2-CZ 3.2Å; W76-F80 HydrophobicContact CZ2-CD1 4.14Å; W76-F80 AromaticContact CZ2-CD2 3.79Å; W76-F80 HydrophobicContact CZ2-CD2 3.79Å; W76-F80 AromaticContact CZ2-CE1 3.48Å; W76-F80 HydrophobicContact CZ2-CE1 3.48Å; W76-F80 VanDerWaalsContact CZ2-CE1 3.48Å; W76-F80 AromaticContact CZ2-CE2 3.11Å; W76-F80 HydrophobicContact CZ2-CE2 3.11Å; W76-F80 HydrophobicContact CZ2-CG 4.28Å; W76-F80 AromaticContact CZ2-CZ 2.9Å; W76-F80 HydrophobicContact CZ2-CZ 2.9Å; W76-F80 HydrophobicContact CZ3-CB 4.12Å; W76-F80 AromaticContact CZ3-CD1 3.61Å; W76-F80 HydrophobicContact CZ3-CD1 3.61Å; W76-F80 AromaticContact CZ3-CD2 3.32Å; W76-F80 HydrophobicContact CZ3-CD2 3.32Å; W76-F80 AromaticContact CZ3-CE1 3.82Å; W76-F80 HydrophobicContact CZ3-CE1 3.82Å; W76-F80 AromaticContact CZ3-CE2 3.6Å; W76-F80 HydrophobicContact CZ3-CE2 3.6Å; W76-F80 AromaticContact CZ3-CG 3.34Å; W76-F80 HydrophobicContact CZ3-CG 3.34Å; W76-F80 AromaticContact CZ3-CZ 3.84Å; W76-F80 HydrophobicContact CZ3-CZ 3.84Å; W76-F80 AromaticContact NE1-CE2 3.37Å; W76-F80 AromaticContact NE1-CZ 3.86Å; W76-F80 WeakPolarHBondContact O-CD2 3.46Å
77H47.4Very low54.7Low137 Ų137112.1 Ų112.163%0.63459%0.591SS**G310 helixtrans-51.4-42.4-177.3-164.6-94.4000115.1L73 D74 R79L73-H77 PolarHBondContact O-N 3.07Å; L73-H77 VanDerWaalsContact O-N 3.07Å; D74-H77 PolarHBondContact O-N 3.39Å; H77-R79 VanDerWaalsContact C-N 3.31Å; H77-R79 PolarHBondContact O-N 3.2Å
78P50.5Low53.3Low98 Ų98113.6 Ų113.664%0.63661%0.606SS**G310 helixtrans-79.9-6.4-178.730.5-34.9000114.6D74 W76D74-P78 VanDerWaalsContact O-CD 3.27Å; D74-P78 WeakPolarHBondContact O-CD 3.47Å; W76-P78 VanDerWaalsContact C-CD 3.45Å
79R51.2Low52.3Low188 Ų188115.4 Ų115.471%0.70962%0.622SS**G310 helixtrans-100.1-12.2-176.7-73.6-87-168152.91.2113.7W76 H77W76-R79 PolarHBondContact O-N 3.44Å; W76-R79 VanDerWaalsContact O-N 3.08Å; H77-R79 VanDerWaalsContact C-N 3.31Å; H77-R79 PolarHBondContact O-N 3.2Å
80F45.2Very low50.6Low107 Ų107121.1 Ų121.147%0.46964%0.644SS.*SBendtrans-108-2.5-176.7-78.9-91.2000115.2W76 P82W76-F80 AromaticContact CD1-CE2 3.89Å; W76-F80 AromaticContact CD2-CD2 3.26Å; W76-F80 HydrophobicContact CD2-CD2 3.26Å; W76-F80 AromaticContact CD2-CE2 3.13Å; W76-F80 HydrophobicContact CD2-CE2 3.13Å; W76-F80 HydrophobicContact CD2-CG 4.18Å; W76-F80 AromaticContact CD2-CZ 3.94Å; W76-F80 HydrophobicContact CD2-CZ 3.94Å; W76-F80 AromaticContact CE2-CD2 3.57Å; W76-F80 AromaticContact CE2-CE2 2.9Å; W76-F80 AromaticContact CE2-CZ 3.28Å; W76-F80 HydrophobicContact CE3-CB 4.3Å; W76-F80 HydrophobicContact CE3-CD1 4.31Å; W76-F80 AromaticContact CE3-CD2 3.13Å; W76-F80 HydrophobicContact CE3-CD2 3.13Å; W76-F80 AromaticContact CE3-CE2 3.48Å; W76-F80 HydrophobicContact CE3-CE2 3.48Å; W76-F80 VanDerWaalsContact CE3-CE2 3.48Å; W76-F80 AromaticContact CE3-CG 3.62Å; W76-F80 HydrophobicContact CE3-CG 3.62Å; W76-F80 HydrophobicContact CE3-CZ 4.18Å; W76-F80 AromaticContact CG-CD2 3.99Å; W76-F80 HydrophobicContact CG-CD2 3.99Å; W76-F80 AromaticContact CG-CE2 3.81Å; W76-F80 HydrophobicContact CG-CE2 3.81Å; W76-F80 AromaticContact CH2-CD1 3.51Å; W76-F80 HydrophobicContact CH2-CD1 3.51Å; W76-F80 AromaticContact CH2-CD2 3.65Å; W76-F80 HydrophobicContact CH2-CD2 3.65Å; W76-F80 AromaticContact CH2-CE1 3.23Å; W76-F80 HydrophobicContact CH2-CE1 3.23Å; W76-F80 AromaticContact CH2-CE2 3.43Å; W76-F80 HydrophobicContact CH2-CE2 3.43Å; W76-F80 VanDerWaalsContact CH2-CE2 3.43Å; W76-F80 AromaticContact CH2-CG 3.71Å; W76-F80 HydrophobicContact CH2-CG 3.71Å; W76-F80 AromaticContact CH2-CZ 3.2Å; W76-F80 HydrophobicContact CH2-CZ 3.2Å; W76-F80 HydrophobicContact CZ2-CD1 4.14Å; W76-F80 AromaticContact CZ2-CD2 3.79Å; W76-F80 HydrophobicContact CZ2-CD2 3.79Å; W76-F80 AromaticContact CZ2-CE1 3.48Å; W76-F80 HydrophobicContact CZ2-CE1 3.48Å; W76-F80 VanDerWaalsContact CZ2-CE1 3.48Å; W76-F80 AromaticContact CZ2-CE2 3.11Å; W76-F80 HydrophobicContact CZ2-CE2 3.11Å; W76-F80 HydrophobicContact CZ2-CG 4.28Å; W76-F80 AromaticContact CZ2-CZ 2.9Å; W76-F80 HydrophobicContact CZ2-CZ 2.9Å; W76-F80 HydrophobicContact CZ3-CB 4.12Å; W76-F80 AromaticContact CZ3-CD1 3.61Å; W76-F80 HydrophobicContact CZ3-CD1 3.61Å; W76-F80 AromaticContact CZ3-CD2 3.32Å; W76-F80 HydrophobicContact CZ3-CD2 3.32Å; W76-F80 AromaticContact CZ3-CE1 3.82Å; W76-F80 HydrophobicContact CZ3-CE1 3.82Å; W76-F80 AromaticContact CZ3-CE2 3.6Å; W76-F80 HydrophobicContact CZ3-CE2 3.6Å; W76-F80 AromaticContact CZ3-CG 3.34Å; W76-F80 HydrophobicContact CZ3-CG 3.34Å; W76-F80 AromaticContact CZ3-CZ 3.84Å; W76-F80 HydrophobicContact CZ3-CZ 3.84Å; W76-F80 AromaticContact NE1-CE2 3.37Å; W76-F80 AromaticContact NE1-CZ 3.86Å; W76-F80 WeakPolarHBondContact O-CD2 3.46Å; F80-P82 WeakPolarHBondContact O-CD 3.3Å
81L45.3Very low49Very low125 Ų125122.8 Ų122.865%0.65466%0.657SS**  trans-94.779.6153.7-70.8103.8000107.9D83L81-D83 PolarHBondContact O-N 3.46Å; L81-D83 VanDerWaalsContact O-N 3.09Å
82P42.4Very low48.4Very low97 Ų97121.8 Ų121.863%0.6366%0.664SS**  trans-62113.5151.728.6-26.1000104.5F80 V84F80-P82 WeakPolarHBondContact O-CD 3.3Å; P82-V84 PolarHBondContact O-N 3.08Å
83D45.8Very low46.7Very low143 Ų143127.7 Ų127.777%0.76569%0.689SS**  trans-35.8106.6165.8-99.4-62.1000108.8L81 S85L81-D83 PolarHBondContact O-N 3.46Å; L81-D83 VanDerWaalsContact O-N 3.09Å; D83-S85 PolarHBondContact O-N 3.23Å
84V49.4Very low45.4Very low138 Ų138126.2 Ų126.284%0.83669%0.688SS**  trans-72.463.9163.71740000105.7P82 A86P82-V84 PolarHBondContact O-N 3.08Å; V84-A86 VanDerWaalsContact C-N 3.3Å; V84-A86 PolarHBondContact O-N 2.97Å; V84-A86 VanDerWaalsContact O-N 3.16Å
85S45.2Very low44.4Very low93 Ų93129 Ų12965%0.6570%0.703SS**  trans-79.291164.3-77.20000105.8D83D83-S85 PolarHBondContact O-N 3.23Å
86A46.4Very low43.2Very low83 Ų83133.8 Ų133.869%0.68671%0.712SS**PPolyproline II helixtrans-56.6126.616900000109.2V84V84-A86 VanDerWaalsContact C-N 3.3Å; V84-A86 PolarHBondContact O-N 2.97Å; V84-A86 VanDerWaalsContact O-N 3.16Å
87P44.1Very low42.7Very low116 Ų116138.5 Ų138.575%0.75374%0.736SS**PPolyproline II helixtrans-70.7143169.527.9-31000110.1
88P42.7Very low41.9Very low116 Ų116136.7 Ų136.775%0.75374%0.735SS**PPolyproline II helixtrans-70.9156.3-178.930-34.1000112
89P46.8Very low41.3Very low117 Ų117138.6 Ų138.676%0.7675%0.749SS**PPolyproline II helixtrans-89.5126.1-175.934.5-28.6000110.9
90E33.9Very low40.4Very low191 Ų191138.3 Ų138.389%0.89375%0.753SS**  trans-137.4131.8164.1-71.8-84119.600108.8
91E34.2Very low40.2Very low187 Ų187138.7 Ų138.787%0.87477%0.768SS**  trans-85.6-155.1-167-58.7-17986.600114.1
92P53.5Low39.5Very low110 Ų110138.1 Ų138.171%0.71477%0.774SS**  -123.4142.3-102.936.2-16.8000114.3
93H28.7Very low39.4Very low189 Ų189140.1 Ų140.188%0.87579%0.788SS**  trans-160.2125.4161.9-151.152.2000116.4
94S31.8Very low38.6Very low80 Ų80138.1 Ų138.156%0.55979%0.786SS**  trans63.6110.6138.6-159.90000121.6
95D37.8Very low38.1Very low149 Ų149137.9 Ų137.980%0.79779%0.785SS**  trans29.6108.1134-54.7-18.6000119.6
96R34.4Very low37.9Very low231 Ų231145.2 Ų145.287%0.87280%0.798SS**  trans-162.1112136.5-120.2173.7-151.1-126.81.6112.9T98R96-T98 PolarHBondContact O-N 3.39Å
97F39.6Very low37.5Very low214 Ų214144.8 Ų144.894%0.93980%0.801SS**  trans-61.8117.6155.2-72-85.7000109.1
98T30.7Very low37Very low99 Ų99150.2 Ų150.261%0.60781%0.807SS**  trans-147.4103.2156.2-13.30000108.8R96 K100R96-T98 PolarHBondContact O-N 3.39Å; T98-K100 PolarHBondContact O-N 3.27Å
99C38.6Very low36.7Very low137 Ų137152 Ų15293%0.92681%0.809SS**  trans-69.2109.1164.7-161.40000107.5
100K30.9Very low36.1Very low183 Ų183153.9 Ų153.980%0.79681%0.807SS**  trans-130.3104.8167.6-97.5178.6177.1171.10108.4T98 C102T98-K100 PolarHBondContact O-N 3.27Å; K100-C102 PolarHBondContact O-N 3.12Å
101S41.8Very low36.2Very low114 Ų114151.1 Ų151.180%0.79780%0.798SS**  trans-43.1123.9155.5160.40000110.1
102C29.9Very low36.1Very low114 Ų114147.8 Ų147.877%0.7780%0.795SS**  trans-151.996.5151.7-117.60000109K100 S104K100-C102 PolarHBondContact O-N 3.12Å; C102-S104 PolarHBondContact O-N 3.19Å; C102-S104 VanDerWaalsContact O-N 3.11Å
103C40.2Very low35.3Very low138 Ų138150.3 Ų150.393%0.93280%0.795SS**  trans-59.4106.1146.1-800000106.9
104S29.8Very low35.6Very low101 Ų101146 Ų14671%0.70679%0.786SS**  trans-134.8124165.2-157.80000109.4C102C102-S104 PolarHBondContact O-N 3.19Å; C102-S104 VanDerWaalsContact O-N 3.11Å
105T39.4Very low36.1Very low133 Ų133148 Ų14882%0.81680%0.797SS**SBendtrans-38.3134.9167.4-38.70000111.7
106R40.3Very low36.5Very low248 Ų248143.7 Ų143.794%0.93679%0.788SS**SBendtrans76104.8163-158.1176.7-170.8171.21.2115.8
107G37.3Very low36.7Very low73 Ų73138.8 Ų138.875%0.75378%0.779SS**  trans127.1122.7145.100000115.8
108R34.9Very low36.7Very low231 Ų231132.6 Ų132.687%0.87276%0.762SS**  trans6398.7157.6-106.5-176.7-83.4-160.6-4.2116.8Q110R108-Q110 PolarHBondContact O-N 3.46Å
109I36.9Very low37.3Very low154 Ų154132 Ų13279%0.7977%0.767SS**  trans-66.499.4157-54.7173.8000106.8L111I109-L111 HydrophobicContact CG2-CD1 3.94Å; I109-L111 HydrophobicContact CG2-CG 3.99Å
110Q33.9Very low37.2Very low156 Ų156132 Ų13273%0.72975%0.753SS**  trans-91.4103.7161.7-90.5-75.43100107.5R108 S112R108-Q110 PolarHBondContact O-N 3.46Å; Q110-S112 PolarHBondContact O-N 3.29Å; Q110-S112 VanDerWaalsContact O-N 3.12Å
111L35.8Very low37.7Very low132 Ų132125.6 Ų125.669%0.69174%0.739SS**  trans-73.593173.6-83.4130.5000108.9I109 F113I109-L111 HydrophobicContact CG2-CD1 3.94Å; I109-L111 HydrophobicContact CG2-CG 3.99Å; L111-F113 PolarHBondContact O-N 3.28Å
112S32.8Very low37.8Very low117 Ų117125.2 Ų125.282%0.81873%0.731SS**  trans-84.695.8162.8-55.90000107.7Q110 S114Q110-S112 PolarHBondContact O-N 3.29Å; Q110-S112 VanDerWaalsContact O-N 3.12Å; S112-S114 PolarHBondContact O-N 2.9Å
113F35.5Very low38.4Very low164 Ų164123.1 Ų123.172%0.71972%0.718SS**  trans-77.5109.1179.1-143.3-95.8000108.5L111L111-F113 PolarHBondContact O-N 3.28Å
114S36Very low38.7Very low98 Ų98121.7 Ų121.769%0.68570%0.7SS**  trans-100.7132.6163.8-162.90000107.9S112 G116S112-S114 PolarHBondContact O-N 2.9Å; S114-G116 PolarHBondContact O-N 2.93Å
115P41.3Very low39.4Very low122 Ų122120.3 Ų120.379%0.79269%0.69SS**THydrogen-bonded Turntrans-81.631.8-162.635.4-36.9000113.7
116G45.9Very low39.6Very low59 Ų59117.8 Ų117.861%0.60868%0.678SS**THydrogen-bonded Turntrans-109.4-27.2-171.300000116.7S114S114-G116 PolarHBondContact O-N 2.93Å
117D38.2Very low39.6Very low128 Ų128109.5 Ų109.568%0.68466%0.658SS**  trans-132.844.8-162.5-75.6-55000114.7A119D117-A119 VanDerWaalsContact C-N 3.26Å; D117-A119 PolarHBondContact O-N 3.31Å
118C40.8Very low40Very low84 Ų84111.8 Ų111.857%0.56865%0.652SS**Hα-helixtrans-67.6-19.6-179.7-65.40000114.5
119A42.6Very low40.6Very low86 Ų86106.3 Ų106.371%0.71164%0.64SS**Hα-helixtrans-80.9-34.1-176.800000113.4D117D117-A119 VanDerWaalsContact C-N 3.26Å; D117-A119 PolarHBondContact O-N 3.31Å
120H37Very low41.1Very low138 Ų138105.1 Ų105.164%0.63963%0.634SS**Hα-helixtrans-81.8-32.3-176.3-96.488.2000113.4V122 S123 L124H120-V122 VanDerWaalsContact C-N 3.32Å; H120-V122 PolarHBondContact O-N 2.85Å; H120-S123 PolarHBondContact O-N 2.91Å; H120-L124 PolarHBondContact O-N 3.48Å
121G40.5Very low41.3Very low48 Ų48101.8 Ų101.850%0.49563%0.627SS.*Hα-helixtrans-64.3-34179.700000113.8C125G121-C125 WeakPolarHBondContact O-CB 3.26Å; G121-C125 PolarHBondContact O-N 3.07Å; G121-C125 VanDerWaalsContact O-N 3.1Å
122V45.8Very low41.8Very low105 Ų10598.3 Ų98.364%0.63661%0.614SS**Hα-helixtrans-69.6-37.3178.41790000111.3H120 C125 S126H120-V122 VanDerWaalsContact C-N 3.32Å; H120-V122 PolarHBondContact O-N 2.85Å; V122-C125 PolarHBondContact O-N 3.33Å; V122-S126 WeakPolarHBondContact O-CB 3.45Å; V122-S126 PolarHBondContact O-N 3.07Å
123S42.5Very low42.3Very low71 Ų7196.4 Ų96.450%0.49760%0.6SS.*Hα-helixtrans-68.2-42.2179.9-173.40000112.3H120 S127H120-S123 PolarHBondContact O-N 2.91Å; S123-S127 WeakPolarHBondContact O-CB 3.43Å; S123-S127 PolarHBondContact O-N 3.44Å; S123-S127 PolarHBondContact O-OG 2.89Å
124L44.8Very low42.5Very low108 Ų10895 Ų9557%0.56560%0.6SS**Hα-helixtrans-67.2-40.2174.9-96.887.7000112H120 S127 L128H120-L124 PolarHBondContact O-N 3.48Å; L124-S127 PolarHBondContact O-N 3.47Å; L124-L128 WeakPolarHBondContact O-CB 3.49Å; L124-L128 WeakPolarHBondContact O-CG 3.47Å; L124-L128 PolarHBondContact O-N 3.45Å
125C45.4Very low42.8Very low72 Ų7297.3 Ų97.349%0.48660%0.6SS.*Hα-helixtrans-64.2-43.3178.9-1600000111.3G121 V122 S127 L128 L129G121-C125 WeakPolarHBondContact O-CB 3.26Å; G121-C125 PolarHBondContact O-N 3.07Å; G121-C125 VanDerWaalsContact O-N 3.1Å; V122-C125 PolarHBondContact O-N 3.33Å; C125-S127 VanDerWaalsContact C-N 3.34Å; C125-S127 PolarHBondContact O-N 3.14Å; C125-L128 PolarHBondContact O-N 3.26Å; C125-L129 WeakPolarHBondContact O-CD1 3.46Å; C125-L129 PolarHBondContact O-N 3.13Å; C125-L129 VanDerWaalsContact O-N 3.07Å
126S43Very low42.6Very low80 Ų8097.3 Ų97.356%0.55959%0.587SS**Hα-helixtrans-64.7-37.7176.5-160.90000112.5V122 L130V122-S126 WeakPolarHBondContact O-CB 3.45Å; V122-S126 PolarHBondContact O-N 3.07Å; S126-L130 WeakPolarHBondContact O-CB 3.42Å; S126-L130 PolarHBondContact O-N 2.86Å
127S40Very low42.4Very low74 Ų7498.3 Ų98.352%0.51758%0.584SS.*Hα-helixtrans-71-38179.3-61.60000112.7S123 L124 C125 L130 C131S123-S127 WeakPolarHBondContact O-CB 3.43Å; S123-S127 PolarHBondContact O-N 3.44Å; S123-S127 PolarHBondContact O-OG 2.89Å; L124-S127 PolarHBondContact O-N 3.47Å; C125-S127 VanDerWaalsContact C-N 3.34Å; C125-S127 PolarHBondContact O-N 3.14Å; S127-L130 PolarHBondContact O-N 3.08Å; S127-C131 PolarHBondContact O-N 3.49Å; S127-C131 VanDerWaalsContact O-N 3.14Å
128L46.9Very low42.4Very low120 Ų12095.8 Ų95.863%0.62858%0.581SS**Hα-helixtrans-70.9-38.2177.2-73.6165.2000112.4L124 C125 L130 S132L124-L128 WeakPolarHBondContact O-CB 3.49Å; L124-L128 WeakPolarHBondContact O-CG 3.47Å; L124-L128 PolarHBondContact O-N 3.45Å; C125-L128 PolarHBondContact O-N 3.26Å; L128-L130 VanDerWaalsContact C-N 3.33Å; L128-S132 PolarHBondContact O-N 3.15Å
129L47.3Very low42.2Very low117 Ų117101.1 Ų101.161%0.61359%0.589SS**Hα-helixtrans-62.3-40.9173-96.788.5000111.8C125 S133C125-L129 WeakPolarHBondContact O-CD1 3.46Å; C125-L129 PolarHBondContact O-N 3.13Å; C125-L129 VanDerWaalsContact O-N 3.07Å; L129-S133 PolarHBondContact O-N 3.26Å; L129-S133 VanDerWaalsContact O-N 3.08Å
130L46.5Very low42.1Very low129 Ų12998.7 Ų98.768%0.67557%0.572SS**Hα-helixtrans-69.9-37-178-154.872.4000112.3S126 S127 L128 S133 L134S126-L130 WeakPolarHBondContact O-CB 3.42Å; S126-L130 PolarHBondContact O-N 2.86Å; S127-L130 PolarHBondContact O-N 3.08Å; L128-L130 VanDerWaalsContact C-N 3.33Å; L130-S133 PolarHBondContact O-N 3.5Å; L130-L134 PolarHBondContact O-N 3.37Å
131C39.5Very low42.2Very low85 Ų8596.3 Ų96.357%0.57457%0.57SS**Hα-helixtrans-69.2-38.2179-156.50000112.4S127S127-C131 PolarHBondContact O-N 3.49Å; S127-C131 VanDerWaalsContact O-N 3.14Å
132S44.7Very low41.9Very low60 Ų6096.8 Ų96.842%0.4257%0.57SS.*Hα-helixtrans-64.6-47.1171.9-170.50000110.9L128 L134 Q135 F136L128-S132 PolarHBondContact O-N 3.15Å; S132-L134 PolarHBondContact O-N 3.06Å; S132-L134 VanDerWaalsContact O-N 3.12Å; S132-Q135 PolarHBondContact O-N 3.5Å; S132-F136 VanDerWaalsContact O-CD2 3.26Å; S132-F136 WeakPolarHBondContact O-CD2 3.36Å; S132-F136 PolarHBondContact O-N 3.23Å
133S43.9Very low41.4Very low76 Ų7694.4 Ų94.453%0.53156%0.561SS.*Hα-helixtrans-55.4-35.5-179.6-1670000113.6L129 L130 C137L129-S133 PolarHBondContact O-N 3.26Å; L129-S133 VanDerWaalsContact O-N 3.08Å; L130-S133 PolarHBondContact O-N 3.5Å; S133-C137 WeakPolarHBondContact O-CB 3.44Å; S133-C137 PolarHBondContact O-N 3.44Å; S133-C137 VanDerWaalsContact O-N 3.13Å
134L38.7Very low41.1Very low136 Ų13695.4 Ų95.471%0.71257%0.567SS**Hα-helixtrans-76.1-38.8-176.7-142.476.6000113.2L130 S132 F136 C137 A138L130-L134 PolarHBondContact O-N 3.37Å; S132-L134 PolarHBondContact O-N 3.06Å; S132-L134 VanDerWaalsContact O-N 3.12Å; L134-F136 VanDerWaalsContact C-N 3.33Å; L134-C137 PolarHBondContact O-N 3.03Å; L134-A138 PolarHBondContact O-N 2.88Å
135Q43Very low40.6Very low145 Ų14593.7 Ų93.768%0.67857%0.568SS**Hα-helixtrans-69.1-32.1175.5-76.6-171.7-22.800112.5S132 R139S132-Q135 PolarHBondContact O-N 3.5Å; Q135-R139 PolarHBondContact O-N 3.5Å
136F38.3Very low40.5Very low122 Ų12295.4 Ų95.454%0.53558%0.576SS.*Hα-helixtrans-76-30.8176.4-83.1-88.7000112.9S132 L134 A138 R139 G140S132-F136 VanDerWaalsContact O-CD2 3.26Å; S132-F136 WeakPolarHBondContact O-CD2 3.36Å; S132-F136 PolarHBondContact O-N 3.23Å; L134-F136 VanDerWaalsContact C-N 3.33Å; F136-A138 PolarHBondContact O-N 2.86Å; F136-R139 PolarHBondContact O-N 3.45Å; F136-G140 PolarHBondContact O-N 3.35Å
137C40.9Very low40.3Very low81 Ų8199 Ų9955%0.54759%0.588SS.*Hα-helixtrans-63.1-40.3175.8-155.90000112.1S133 L134 R139 C141S133-C137 WeakPolarHBondContact O-CB 3.44Å; S133-C137 PolarHBondContact O-N 3.44Å; S133-C137 VanDerWaalsContact O-N 3.13Å; L134-C137 PolarHBondContact O-N 3.03Å; C137-R139 PolarHBondContact O-N 3.1Å; C137-C141 PolarHBondContact O-N 3.38Å; C137-C141 VanDerWaalsContact O-N 3.08Å
138A37.6Very low40Very low74 Ų7499.7 Ų99.761%0.61260%0.598SS**Hα-helixtrans-66.3-36.8175.700000112.6L134 F136 A142L134-A138 PolarHBondContact O-N 2.88Å; F136-A138 PolarHBondContact O-N 2.86Å; A138-A142 PolarHBondContact O-N 3.44Å
139R38.2Very low39.3Very low197 Ų197102.9 Ų102.974%0.74362%0.622SS**Hα-helixtrans-76.7-32.6178.7-118.5171.3152.3-172.6-7.2113.2Q135 F136 C137 A143Q135-R139 PolarHBondContact O-N 3.5Å; F136-R139 PolarHBondContact O-N 3.45Å; C137-R139 PolarHBondContact O-N 3.1Å; R139-A143 PolarHBondContact O-N 3.35Å
140G38.6Very low38.9Very low34 Ų34102.2 Ų102.235%0.35162%0.623SS.*Hα-helixtrans-71-41.1174.700000113.1F136 A142 A143 C144F136-G140 PolarHBondContact O-N 3.35Å; G140-A142 VanDerWaalsContact C-N 3.28Å; G140-A142 PolarHBondContact O-N 3.14Å; G140-A143 PolarHBondContact O-N 3.46Å; G140-A143 VanDerWaalsContact O-N 3.15Å; G140-C144 PolarHBondContact O-N 3.3Å
141C39.2Very low38.5Very low89 Ų89100.8 Ų100.860%0.60162%0.62SS**Hα-helixtrans-61.1-35.9173.8-79.80000112.6C137 C144 A145C137-C141 PolarHBondContact O-N 3.38Å; C137-C141 VanDerWaalsContact O-N 3.08Å; C141-C144 PolarHBondContact O-N 3.4Å; C141-A145 PolarHBondContact O-N 3.31Å
142A34.3Very low38.5Very low58 Ų58101.7 Ų101.748%0.47962%0.623SS.*Hα-helixtrans-67.3-34.2175.200000112.8A138 G140 V146A138-A142 PolarHBondContact O-N 3.44Å; G140-A142 VanDerWaalsContact C-N 3.28Å; G140-A142 PolarHBondContact O-N 3.14Å; A142-V146 WeakPolarHBondContact O-CG2 3.4Å
143A35.4Very low38.1Very low54 Ų54104.1 Ų104.145%0.44664%0.635SS.*Hα-helixtrans-73.6-36.1176.700000112.7R139 G140 A145 V146 L147R139-A143 PolarHBondContact O-N 3.35Å; G140-A143 PolarHBondContact O-N 3.46Å; G140-A143 VanDerWaalsContact O-N 3.15Å; A143-A145 VanDerWaalsContact C-N 3.3Å; A143-A145 PolarHBondContact O-N 3.16Å; A143-V146 PolarHBondContact O-N 3.43Å; A143-L147 PolarHBondContact O-N 3.15Å
144C37.1Very low37.8Very low93 Ų93105.9 Ų105.963%0.62864%0.641SS**Hα-helixtrans-65.7-31.4173.9-70.60000112.8G140 C141 V146 A148G140-C144 PolarHBondContact O-N 3.3Å; C141-C144 PolarHBondContact O-N 3.4Å; C144-V146 VanDerWaalsContact C-N 3.33Å; C144-A148 WeakPolarHBondContact O-CB 3.33Å; C144-A148 PolarHBondContact O-N 3.3Å
145A34.3Very low37.7Very low71 Ų71103.9 Ų103.959%0.58764%0.636SS**Hα-helixtrans-71.7-25.4176.200000113.3C141 A143C141-A145 PolarHBondContact O-N 3.31Å; A143-A145 VanDerWaalsContact C-N 3.3Å; A143-A145 PolarHBondContact O-N 3.16Å
146V42.8Very low37.3Very low108 Ų108100.9 Ų100.966%0.65563%0.633SS**Hα-helixtrans-85.5-27.6179.31770000112.3A142 A143 C144 A148A142-V146 WeakPolarHBondContact O-CG2 3.4Å; A143-V146 PolarHBondContact O-N 3.43Å; C144-V146 VanDerWaalsContact C-N 3.33Å; V146-A148 VanDerWaalsContact C-N 3.32Å
147L39.8Very low37.2Very low157 Ų15799.3 Ų99.382%0.82264%0.641SS**THydrogen-bonded Turntrans-85.3-3.4175-79.8163.4000113.9A143A143-L147 PolarHBondContact O-N 3.15Å
148A32.4Very low36.9Very low88 Ų88100.8 Ų100.873%0.72765%0.649SS**THydrogen-bonded Turntrans-98.510.4177.500000113.5C144 V146C144-A148 WeakPolarHBondContact O-CB 3.33Å; C144-A148 PolarHBondContact O-N 3.3Å; V146-A148 VanDerWaalsContact C-N 3.32Å
149V33.7Very low36.9Very low187 Ų187103.3 Ų103.3100%1.13365%0.652SS**  trans-106.70174.189.60000111.7

Retrieved 149 of 149 residues in 122 ms (Link to these results)