A0A087YA87_POEFO Loading...

ditrans,polycis-polyprenyl diphosphate synthase [(2E,6E)-farnesyldiphosphate specific]

AlphaFold DB , UniProt , Accession A0A087YA87, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 288 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
1M58.2Low80.6Confident189 Ų189128.4 Ų128.493%0.93164%0.638SS**  0-50.30-66.5-53-133.400113.7L3 L4 Y5M1-L3 PolarHBondContact O-N 2.81Å; M1-L4 PolarHBondContact O-N 3Å; M1-Y5 WeakPolarHBondContact O-CD2 3.36Å; M1-Y5 PolarHBondContact O-N 2.88Å
2A67.6Low81.3Confident84 Ų84125.3 Ų125.369%0.69462%0.624SS**Hα-helixtrans-60.7-35.6-175.700000116L4 Y5 G6A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.5Å; A2-Y5 PolarHBondContact O-N 3.2Å; A2-G6 PolarHBondContact O-N 2.97Å; A2-G6 VanDerWaalsContact O-N 3.13Å
3L72.5Confident81.7Confident153 Ų153121.6 Ų121.680%0.80161%0.608SS**Hα-helixtrans-67.2-32.8178.5-68.8172.4000113M1 G6 L7M1-L3 PolarHBondContact O-N 2.81Å; L3-G6 PolarHBondContact O-N 3.17Å; L3-L7 WeakPolarHBondContact O-CG 3.15Å; L3-L7 PolarHBondContact O-N 3.48Å; L3-L7 VanDerWaalsContact O-N 3.17Å
4L79Confident82.3Confident117 Ų117116.1 Ų116.161%0.61359%0.591SS**Hα-helixtrans-69.2-43.2178.5-125.3117.5000110.9M1 A2 G6 L7 I8M1-L4 PolarHBondContact O-N 3Å; A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.5Å; L4-G6 VanDerWaalsContact C-N 3.34Å; L4-G6 PolarHBondContact O-N 2.81Å; L4-L7 PolarHBondContact O-N 2.99Å; L4-I8 HydrophobicContact CD2-CD1 4.23Å; L4-I8 WeakPolarHBondContact O-CD1 3.47Å; L4-I8 VanDerWaalsContact O-CG1 3.25Å; L4-I8 WeakPolarHBondContact O-CG1 3.42Å; L4-I8 PolarHBondContact O-N 3.29Å
5Y80.8Confident82.8Confident166 Ų166114.8 Ų114.865%0.65159%0.585SS**Hα-helixtrans-63.4-38.1174.8-79.4-80.2000112.6M1 A2 L7 I8 W9M1-Y5 WeakPolarHBondContact O-CD2 3.36Å; M1-Y5 PolarHBondContact O-N 2.88Å; A2-Y5 PolarHBondContact O-N 3.2Å; Y5-L7 PolarHBondContact O-N 3.4Å; Y5-I8 PolarHBondContact O-N 3.19Å; Y5-W9 WeakPolarHBondContact O-CB 3.42Å; Y5-W9 PolarHBondContact O-N 3.49Å
6G85.1Confident83Confident34 Ų34111.6 Ų111.635%0.35157%0.572SS.*Hα-helixtrans-63.6-39175.800000113.3A2 L3 L4 R10A2-G6 PolarHBondContact O-N 2.97Å; A2-G6 VanDerWaalsContact O-N 3.13Å; L3-G6 PolarHBondContact O-N 3.17Å; L4-G6 VanDerWaalsContact C-N 3.34Å; L4-G6 PolarHBondContact O-N 2.81Å; G6-R10 WeakPolarHBondContact O-CG 3.42Å; G6-R10 PolarHBondContact O-N 3.35Å
7L88.1Confident83Confident114 Ų114116.2 Ų116.260%0.59758%0.581SS**Hα-helixtrans-69.8-44175.7-71.6170.7000111.7L3 L4 Y5 W9 R10 L11L3-L7 WeakPolarHBondContact O-CG 3.15Å; L3-L7 PolarHBondContact O-N 3.48Å; L3-L7 VanDerWaalsContact O-N 3.17Å; L4-L7 PolarHBondContact O-N 2.99Å; Y5-L7 PolarHBondContact O-N 3.4Å; L7-W9 VanDerWaalsContact C-N 3.3Å; L7-W9 PolarHBondContact O-N 2.66Å; L7-R10 PolarHBondContact O-N 2.97Å; L7-L11 WeakPolarHBondContact O-CB 3.35Å; L7-L11 PolarHBondContact O-N 3.41Å
8I90.3Very high83.3Confident86 Ų86115.5 Ų115.544%0.44158%0.578SS.*Hα-helixtrans-59.1-42.7176.7-68.9163.9000110.8L4 Y5 L11 L12L4-I8 HydrophobicContact CD2-CD1 4.23Å; L4-I8 WeakPolarHBondContact O-CD1 3.47Å; L4-I8 VanDerWaalsContact O-CG1 3.25Å; L4-I8 WeakPolarHBondContact O-CG1 3.42Å; L4-I8 PolarHBondContact O-N 3.29Å; Y5-I8 PolarHBondContact O-N 3.19Å; I8-L11 PolarHBondContact O-N 3.34Å; I8-L12 HydrophobicContact CG2-CD1 4.21Å; I8-L12 WeakPolarHBondContact O-CB 3.39Å; I8-L12 PolarHBondContact O-N 2.97Å
9W84.2Confident83.2Confident171 Ų171117.3 Ų117.365%0.64858%0.582SS**Hα-helixtrans-63.6-42177.9-174.1-110.2000112.9Y5 L7 L11 L12 L13Y5-W9 WeakPolarHBondContact O-CB 3.42Å; Y5-W9 PolarHBondContact O-N 3.49Å; L7-W9 VanDerWaalsContact C-N 3.3Å; L7-W9 PolarHBondContact O-N 2.66Å; W9-L11 VanDerWaalsContact C-N 3.34Å; W9-L12 PolarHBondContact O-N 3.09Å; W9-L13 HydrophobicContact CG-CD1 4.44Å; W9-L13 WeakPolarHBondContact O-CG 3.29Å; W9-L13 PolarHBondContact O-N 2.9Å
10R89.3Confident82.9Confident186 Ų186120.9 Ų120.970%0.70259%0.588SS**Hα-helixtrans-65.5-37.6175.9-71.5177.1-178.8-165.80.9112G6 L7 L13 A14G6-R10 WeakPolarHBondContact O-CG 3.42Å; G6-R10 PolarHBondContact O-N 3.35Å; L7-R10 PolarHBondContact O-N 2.97Å; R10-L13 PolarHBondContact O-N 2.98Å; R10-A14 WeakPolarHBondContact O-CB 3.32Å; R10-A14 PolarHBondContact O-N 3.24Å
11L91.8Very high82.9Confident112 Ų112118 Ų11859%0.58658%0.584SS**Hα-helixtrans-65.8-43.3175.7-126.6154.6000111.4L7 I8 W9 A14 L15L7-L11 WeakPolarHBondContact O-CB 3.35Å; L7-L11 PolarHBondContact O-N 3.41Å; I8-L11 PolarHBondContact O-N 3.34Å; W9-L11 VanDerWaalsContact C-N 3.34Å; L11-A14 PolarHBondContact O-N 3.25Å; L11-L15 HydrophobicContact CD2-CD1 4.23Å; L11-L15 HydrophobicContact CD2-CG 4.45Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.49Å; L11-L15 PolarHBondContact O-N 3.14Å
12L89Confident84Confident91 Ų91112.4 Ų112.448%0.47656%0.561SS.*Hα-helixtrans-60-46.2173.4-102.1155.4000112.1I8 W9 A14 L15 V16I8-L12 HydrophobicContact CG2-CD1 4.21Å; I8-L12 WeakPolarHBondContact O-CB 3.39Å; I8-L12 PolarHBondContact O-N 2.97Å; W9-L12 PolarHBondContact O-N 3.09Å; L12-A14 PolarHBondContact O-N 3.29Å; L12-L15 PolarHBondContact O-N 3.32Å; L12-V16 WeakPolarHBondContact O-CG2 3.35Å; L12-V16 PolarHBondContact O-N 3.41Å
13L86.3Confident84.5Confident78 Ų78111.8 Ų111.841%0.40855%0.548SS..Hα-helixtrans-62.6-40.9176.6-79.3166.1000112.3W9 R10 V16 R17W9-L13 HydrophobicContact CG-CD1 4.44Å; W9-L13 WeakPolarHBondContact O-CG 3.29Å; W9-L13 PolarHBondContact O-N 2.9Å; R10-L13 PolarHBondContact O-N 2.98Å; L13-V16 PolarHBondContact O-N 3.21Å; L13-R17 WeakPolarHBondContact O-CG 3.25Å; L13-R17 PolarHBondContact O-N 3.35Å
14A90.1Very high84.4Confident45 Ų45107.5 Ų107.537%0.37253%0.531SS..Hα-helixtrans-63.1-44.4175.400000111.5R10 L11 L12 V16 R17 I18R10-A14 WeakPolarHBondContact O-CB 3.32Å; R10-A14 PolarHBondContact O-N 3.24Å; L11-A14 PolarHBondContact O-N 3.25Å; L12-A14 PolarHBondContact O-N 3.29Å; A14-V16 VanDerWaalsContact C-N 3.35Å; A14-V16 PolarHBondContact O-N 2.99Å; A14-R17 PolarHBondContact O-N 3.47Å; A14-I18 VanDerWaalsContact O-CG1 3.28Å; A14-I18 WeakPolarHBondContact O-CG1 3.47Å; A14-I18 PolarHBondContact O-N 2.93Å
15L90.3Very high84.4Confident96 Ų96109.4 Ų109.450%0.50353%0.53SS..Hα-helixtrans-61.9-40.3176.5-73.8170.7000112.3L11 L12 I18 K19L11-L15 HydrophobicContact CD2-CD1 4.23Å; L11-L15 HydrophobicContact CD2-CG 4.45Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.49Å; L11-L15 PolarHBondContact O-N 3.14Å; L12-L15 PolarHBondContact O-N 3.32Å; L15-I18 PolarHBondContact O-N 3.04Å; L15-K19 WeakPolarHBondContact O-CB 3.47Å; L15-K19 VanDerWaalsContact O-CG 3.31Å; L15-K19 WeakPolarHBondContact O-CG 3.48Å; L15-K19 PolarHBondContact O-N 3.31Å
16V85.3Confident84.1Confident63 Ų63106.3 Ų106.338%0.38252%0.524SS..Hα-helixtrans-64.3-42.3175.2171.60000111.2L12 L13 A14 K19 R20L12-V16 WeakPolarHBondContact O-CG2 3.35Å; L12-V16 PolarHBondContact O-N 3.41Å; L13-V16 PolarHBondContact O-N 3.21Å; A14-V16 VanDerWaalsContact C-N 3.35Å; A14-V16 PolarHBondContact O-N 2.99Å; V16-K19 PolarHBondContact O-N 3.45Å; V16-R20 WeakPolarHBondContact O-CG 3.27Å; V16-R20 PolarHBondContact O-N 3.44Å
17R83.3Confident83.3Confident191 Ų191113 Ų11372%0.72154%0.539SS*.Hα-helixtrans-63.9-42.1177-72.5-179.2-178.9-162.9-0.1111.9L13 A14 R20 A21L13-R17 WeakPolarHBondContact O-CG 3.25Å; L13-R17 PolarHBondContact O-N 3.35Å; A14-R17 PolarHBondContact O-N 3.47Å; R17-R20 PolarHBondContact O-N 3.46Å; R17-A21 WeakPolarHBondContact O-CB 3.47Å; R17-A21 PolarHBondContact O-N 3.44Å
18I88.1Confident82.4Confident103 Ų103111.8 Ų111.853%0.52854%0.536SS..Hα-helixtrans-65.5-43.6176.4-66.2164.3000111A14 L15 R20 A21 T22A14-I18 VanDerWaalsContact O-CG1 3.28Å; A14-I18 WeakPolarHBondContact O-CG1 3.47Å; A14-I18 PolarHBondContact O-N 2.93Å; L15-I18 PolarHBondContact O-N 3.04Å; I18-R20 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 3.28Å; I18-A21 PolarHBondContact O-N 2.96Å; I18-T22 HydrophobicContact CG2-CG2 4.33Å; I18-T22 WeakPolarHBondContact O-CB 3.39Å; I18-T22 VanDerWaalsContact O-CG2 3.31Å; I18-T22 WeakPolarHBondContact O-CG2 3.42Å; I18-T22 PolarHBondContact O-N 3.26Å; I18-T22 PolarHBondContact O-OG1 2.78Å
19K82.6Confident81.4Confident150 Ų150114.9 Ų114.965%0.65254%0.542SS*.Hα-helixtrans-59.9-42174.6-78.1-92.3-176.8174.50111.9L15 V16 T22 V23L15-K19 WeakPolarHBondContact O-CB 3.47Å; L15-K19 VanDerWaalsContact O-CG 3.31Å; L15-K19 WeakPolarHBondContact O-CG 3.48Å; L15-K19 PolarHBondContact O-N 3.31Å; V16-K19 PolarHBondContact O-N 3.45Å; K19-T22 WeakPolarHBondContact CA-OG1 3.43Å; K19-T22 PolarHBondContact O-OG1 3.45Å; K19-V23 WeakPolarHBondContact O-CB 3.3Å; K19-V23 VanDerWaalsContact O-CG2 3.23Å; K19-V23 WeakPolarHBondContact O-CG2 3.42Å; K19-V23 PolarHBondContact O-N 3.34Å
20R76.9Confident80.4Confident188 Ų188111.4 Ų111.471%0.70954%0.536SS*.Hα-helixtrans-67.8-42.2177.4-73.1-179-178-173.81.6112.3V16 R17 I18 V23 S24V16-R20 WeakPolarHBondContact O-CG 3.27Å; V16-R20 PolarHBondContact O-N 3.44Å; R17-R20 PolarHBondContact O-N 3.46Å; I18-R20 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 3.28Å; R20-V23 PolarHBondContact O-N 2.94Å; R20-S24 WeakPolarHBondContact O-CB 3.47Å; R20-S24 PolarHBondContact O-N 2.96Å
21A82.6Confident78.8Confident60 Ų60110.6 Ų110.650%0.49653%0.533SS..Hα-helixtrans-64.2-44.1177.100000111.8R17 I18 S24 W25R17-A21 WeakPolarHBondContact O-CB 3.47Å; R17-A21 PolarHBondContact O-N 3.44Å; I18-A21 PolarHBondContact O-N 2.96Å; A21-S24 PolarHBondContact O-N 2.98Å; A21-W25 VanDerWaalsContact O-CB 3.31Å; A21-W25 WeakPolarHBondContact O-CB 3.15Å; A21-W25 PolarHBondContact O-N 3.33Å
22T80.8Confident77.2Confident73 Ų73108.5 Ų108.545%0.44853%0.525SS..Hα-helixtrans-65.5-40.9177.649.60000112.3I18 K19 W25 L26I18-T22 HydrophobicContact CG2-CG2 4.33Å; I18-T22 WeakPolarHBondContact O-CB 3.39Å; I18-T22 VanDerWaalsContact O-CG2 3.31Å; I18-T22 WeakPolarHBondContact O-CG2 3.42Å; I18-T22 PolarHBondContact O-N 3.26Å; I18-T22 PolarHBondContact O-OG1 2.78Å; K19-T22 WeakPolarHBondContact CA-OG1 3.43Å; K19-T22 PolarHBondContact O-OG1 3.45Å; T22-W25 PolarHBondContact O-N 3.23Å; T22-L26 VanDerWaalsContact O-CB 3.29Å; T22-L26 WeakPolarHBondContact O-CB 3.45Å; T22-L26 PolarHBondContact O-N 3.5Å
23V78.3Confident75Confident71 Ų71113.1 Ų113.143%0.4354%0.536SS..Hα-helixtrans-67.4-38.4174.6171.50000111.9K19 R20 R27K19-V23 WeakPolarHBondContact O-CB 3.3Å; K19-V23 VanDerWaalsContact O-CG2 3.23Å; K19-V23 WeakPolarHBondContact O-CG2 3.42Å; K19-V23 PolarHBondContact O-N 3.34Å; R20-V23 PolarHBondContact O-N 2.94Å; V23-R27 WeakPolarHBondContact O-CB 3.48Å; V23-R27 WeakPolarHBondContact O-CG 3.49Å; V23-R27 PolarHBondContact O-N 3.17Å
24S69.9Low73.2Confident62 Ų62116.7 Ų116.743%0.43455%0.548SS..Hα-helixtrans-62.8-49.2174.4-170.10000111.1R20 A21 L26 R27 V28R20-S24 WeakPolarHBondContact O-CB 3.47Å; R20-S24 PolarHBondContact O-N 2.96Å; A21-S24 PolarHBondContact O-N 2.98Å; S24-L26 PolarHBondContact O-N 2.99Å; S24-R27 PolarHBondContact O-N 2.9Å; S24-V28 WeakPolarHBondContact O-CG2 3.48Å; S24-V28 PolarHBondContact O-N 3.2Å
25W80.1Confident71.2Confident157 Ų157116.4 Ų116.460%0.59555%0.55SS*.Hα-helixtrans-62-42.3177.7-174.981.5000112.3A21 T22 R27 V28 R29A21-W25 VanDerWaalsContact O-CB 3.31Å; A21-W25 WeakPolarHBondContact O-CB 3.15Å; A21-W25 PolarHBondContact O-N 3.33Å; T22-W25 PolarHBondContact O-N 3.23Å; W25-R27 PolarHBondContact O-N 2.97Å; W25-V28 PolarHBondContact O-N 2.79Å; W25-R29 WeakPolarHBondContact O-CB 3.49Å; W25-R29 PolarHBondContact O-N 2.9Å
26L73Confident69.4Low101 Ų101120 Ų12053%0.52956%0.556SS.*Hα-helixtrans-64.8-38.5176.7-15092.8000111.6T22 S24 R29 L30T22-L26 VanDerWaalsContact O-CB 3.29Å; T22-L26 WeakPolarHBondContact O-CB 3.45Å; T22-L26 PolarHBondContact O-N 3.5Å; S24-L26 PolarHBondContact O-N 2.99Å; L26-R29 PolarHBondContact O-N 2.59Å; L26-L30 HydrophobicContact CG-CD1 4.41Å; L26-L30 WeakPolarHBondContact O-CB 3.36Å; L26-L30 PolarHBondContact O-N 3.39Å
27R68.8Low67.4Low175 Ų175123.8 Ų123.866%0.6657%0.568SS**Hα-helixtrans-66.1-42.3176.1-81.5-169.1-70.6-157.51.4112.3V23 S24 W25 R29 R31V23-R27 WeakPolarHBondContact O-CB 3.48Å; V23-R27 WeakPolarHBondContact O-CG 3.49Å; V23-R27 PolarHBondContact O-N 3.17Å; S24-R27 PolarHBondContact O-N 2.9Å; W25-R27 PolarHBondContact O-N 2.97Å; R27-R29 VanDerWaalsContact C-N 3.33Å; R27-R31 VanDerWaalsContact O-CB 3.25Å; R27-R31 WeakPolarHBondContact O-CB 3.28Å; R27-R31 PolarHBondContact O-N 3.02Å
28V70Confident65.5Low89 Ų89123.7 Ų123.754%0.53957%0.568SS.*Hα-helixtrans-63.6-41.3174.7174.40000110.6S24 W25 R31 T32S24-V28 WeakPolarHBondContact O-CG2 3.48Å; S24-V28 PolarHBondContact O-N 3.2Å; W25-V28 PolarHBondContact O-N 2.79Å; V28-R31 PolarHBondContact O-N 3Å; V28-T32 WeakPolarHBondContact O-CG2 2.89Å; V28-T32 PolarHBondContact O-N 3.07Å; V28-T32 PolarHBondContact O-OG1 3.02Å
29R68.8Low63.8Low151 Ų151126.2 Ų126.257%0.5758%0.577SS**Hα-helixtrans-69.3-40.8178.8-165.9170.2-178.8171.8-0.4113.1W25 L26 R27 R31 T32 W33W25-R29 WeakPolarHBondContact O-CB 3.49Å; W25-R29 PolarHBondContact O-N 2.9Å; L26-R29 PolarHBondContact O-N 2.59Å; R27-R29 VanDerWaalsContact C-N 3.33Å; R29-R31 VanDerWaalsContact C-N 3.31Å; R29-R31 PolarHBondContact O-N 3.21Å; R29-T32 WeakPolarHBondContact CA-OG1 3.43Å; R29-T32 PolarHBondContact O-OG1 2.98Å; R29-W33 WeakPolarHBondContact O-CB 3.45Å; R29-W33 PolarHBondContact O-N 3.42Å; R29-W33 VanDerWaalsContact O-N 3.12Å
30L62.8Low61.9Low98 Ų98129.3 Ų129.351%0.51359%0.585SS.*Hα-helixtrans-66.3-35.3174.5-115.384.1000111.8L26 W33 K34L26-L30 HydrophobicContact CG-CD1 4.41Å; L26-L30 WeakPolarHBondContact O-CB 3.36Å; L26-L30 PolarHBondContact O-N 3.39Å; L30-W33 PolarHBondContact O-N 3.16Å; L30-K34 PolarHBondContact O-N 3.48Å
31R56.2Low60.4Low168 Ų168123.3 Ų123.363%0.63457%0.569SS**Hα-helixtrans-71.6-41.6179.6-169.7175.1174.2175.8-1.1112.3R27 V28 R29 W33 K34 G35R27-R31 VanDerWaalsContact O-CB 3.25Å; R27-R31 WeakPolarHBondContact O-CB 3.28Å; R27-R31 PolarHBondContact O-N 3.02Å; V28-R31 PolarHBondContact O-N 3Å; R29-R31 VanDerWaalsContact C-N 3.31Å; R29-R31 PolarHBondContact O-N 3.21Å; R31-W33 PolarHBondContact O-N 3.28Å; R31-K34 PolarHBondContact O-N 3.28Å; R31-G35 PolarHBondContact O-N 3.43Å
32T58.2Low58.2Low69 Ų69126.1 Ų126.142%0.42357%0.574SS.*Hα-helixtrans-67.5-24.117347.60000113V28 R29 R36V28-T32 WeakPolarHBondContact O-CG2 2.89Å; V28-T32 PolarHBondContact O-N 3.07Å; V28-T32 PolarHBondContact O-OG1 3.02Å; R29-T32 WeakPolarHBondContact CA-OG1 3.43Å; R29-T32 PolarHBondContact O-OG1 2.98Å; T32-R36 PolarHBondContact O-NE 3.5Å
33W42.8Very low56.1Low188 Ų188126.9 Ų126.971%0.71259%0.588SS**Hα-helixtrans-79.6-43.5173.9-156.442.6000112.3R29 L30 R31 R36 F37R29-W33 WeakPolarHBondContact O-CB 3.45Å; R29-W33 PolarHBondContact O-N 3.42Å; R29-W33 VanDerWaalsContact O-N 3.12Å; L30-W33 PolarHBondContact O-N 3.16Å; R31-W33 PolarHBondContact O-N 3.28Å; W33-R36 PolarHBondContact O-N 3Å; W33-F37 PolarHBondContact O-N 3.27Å; W33-F37 VanDerWaalsContact O-N 3.11Å
34K48.8Very low54.1Low152 Ų152127.6 Ų127.666%0.66160%0.601SS**Hα-helixtrans-64.1-38.5173.3-89.6-174.1172-174.70113.1L30 R31 R36 F37 W38L30-K34 PolarHBondContact O-N 3.48Å; R31-K34 PolarHBondContact O-N 3.28Å; K34-R36 PolarHBondContact O-N 3.14Å; K34-F37 PolarHBondContact O-N 2.82Å; K34-W38 PolarHBondContact O-N 3.25Å
35G47.2Very low52.5Low39 Ų39131.1 Ų131.140%0.40261%0.614SS.*Hα-helixtrans-63.4-39.117700000113.4R31 Q39R31-G35 PolarHBondContact O-N 3.43Å; G35-Q39 PolarHBondContact O-N 3.3Å
36R52Low50.4Low171 Ų171131.1 Ų131.165%0.64563%0.625SS**Hα-helixtrans-74.7-27.7175.6-82.1-173.1-85.1-169.1-8.6113.8T32 W33 K34T32-R36 PolarHBondContact O-NE 3.5Å; W33-R36 PolarHBondContact O-N 3Å; K34-R36 PolarHBondContact O-N 3.14Å
37F43.4Very low48.6Very low143 Ų143133.4 Ų133.463%0.62764%0.637SS**Hα-helixtrans-77.4-38.7178.2-154.5-95.7000111.8W33 K34 R40 T41W33-F37 PolarHBondContact O-N 3.27Å; W33-F37 VanDerWaalsContact O-N 3.11Å; K34-F37 PolarHBondContact O-N 2.82Å; F37-R40 PolarHBondContact O-N 2.8Å; F37-T41 HydrophobicContact CE1-CG2 4.45Å
38W44.3Very low46.7Very low189 Ų189131.4 Ų131.472%0.71665%0.646SS**Hα-helixtrans-70-29.1177.4-101.158.5000114K34 R40K34-W38 PolarHBondContact O-N 3.25Å; W38-R40 PolarHBondContact O-N 2.98Å
39Q51.7Low44.8Very low156 Ų156132.5 Ų132.573%0.72965%0.653SS**Hα-helixtrans-71.2-16175.2-77.6-174.2-29.200114G35G35-Q39 PolarHBondContact O-N 3.3Å
40R44.3Very low43.5Very low215 Ų215130.4 Ų130.481%0.81166%0.659SS**Hα-helixtrans-97.6-17.4-178.9-77.3-176.8144.5173.4-6.1114.6F37 W38F37-R40 PolarHBondContact O-N 2.8Å; W38-R40 PolarHBondContact O-N 2.98Å
41T43.8Very low41.7Very low62 Ų62132.2 Ų132.238%0.3867%0.674SS.*Hα-helixtrans-97.6-15.2-176.552.30000114.1F37F37-T41 HydrophobicContact CE1-CG2 4.45Å
42M37.3Very low40.3Very low119 Ų119128.6 Ų128.659%0.58668%0.68SS**SBendtrans-96.4-10.5178.3-67.8-71.797.200114.3A44M42-A44 VanDerWaalsContact C-N 3.33Å
43A36Very low38.9Very low90 Ų90134.4 Ų134.474%0.74470%0.702SS**SBendtrans-83.4-6.4175.700000113.8
44A36.8Very low38.2Very low85 Ų85135.5 Ų135.570%0.70271%0.712SS**SBendtrans-106.6-0.4-173.500000114.8M42M42-A44 VanDerWaalsContact C-N 3.33Å
45L36.5Very low37Very low136 Ų136137.6 Ų137.671%0.71272%0.721SS**SBendtrans-115.65.8-174.7-84167.6000115.3
46L36.1Very low36Very low158 Ų158145.1 Ų145.183%0.82775%0.746SS**  trans-131.779.9173.9-65.6175.1000110.7
47L33.9Very low34.8Very low149 Ų149146.9 Ų146.978%0.7876%0.758SS**  trans-126.1139.8148.5-76.7176.6000108.1V49L47-V49 HydrophobicContact CD1-CG2 4.45Å
48P30.9Very low33.9Very low132 Ų132148.2 Ų148.286%0.85776%0.764SS**  -127.6158.5106.830.2-17.6000113.7
49V29.4Very low33.1Very low113 Ų113144 Ų14469%0.68577%0.769SS**  trans-107.5172.5-174.8175.50000107.7L47L47-V49 HydrophobicContact CD1-CG2 4.45Å
50P40.7Very low32Very low107 Ų107142.8 Ų142.870%0.69577%0.768SS**  cis-124.9-179.2-35.531.2-12000113.5
51V26.4Very low31.2Very low136 Ų136137 Ų13782%0.82477%0.765SS**  143.3108.6127.91770000110.8
52A25.3Very low30.5Very low91 Ų91141.9 Ų141.975%0.75279%0.79SS**  171.7112.8122.900000109
53E29Very low30.5Very low192 Ų192145.6 Ų145.690%0.89781%0.805SS**  trans-58.5130.3170.9-69.9167.8124.700111
54F27.4Very low30.2Very low211 Ų211146.9 Ų146.993%0.92581%0.809SS**  trans-136.8117154.1-126.4-95.3000111.5
55K24.6Very low30.4Very low195 Ų195147.9 Ų147.985%0.84881%0.811SS**  trans-32124177.6-92.7165.7166.5169.80116K57K55-K57 PolarHBondContact O-N 3.23Å
56Q26.8Very low30.2Very low198 Ų198149.2 Ų149.293%0.92582%0.819SS**  trans-60.7123.3151-108.3161.4-36.100109.9
57K25.8Very low30.6Very low207 Ų207145.6 Ų145.690%0.982%0.82SS**  trans-112.1105.8161.7-136.7178.3-177.3-176.80107.9K55K55-K57 PolarHBondContact O-N 3.23Å
58K25.4Very low30.9Very low172 Ų172146.4 Ų146.475%0.74883%0.825SS**  trans-75.1126.1168.4-158.5-178.1-175.7-168.70107.5
59A26.9Very low31.3Very low99 Ų99143.3 Ų143.382%0.81882%0.816SS**  trans-130.3103.516300000106.7
60D27.8Very low32.4Very low132 Ų132144.5 Ų144.571%0.70682%0.819SS**  trans-72.2134.1166.4-64.6-49.4000108.5
61A28.5Very low32.9Very low92 Ų92142.3 Ų142.376%0.7682%0.816SS**  trans-163.6103.8152.400000112.1
62N28.5Very low34.2Very low166 Ų166145 Ų14589%0.88882%0.816SS**  trans64.9126.7140.4-69.4-6.2000123.2
63Q38.7Very low35.9Very low196 Ų196142.6 Ų142.692%0.91680%0.8SS**  trans-58138.9163.7-68.5163.3-10.500112.4
64S29.1Very low37.5Very low118 Ų118133.7 Ų133.783%0.82576%0.759SS**  trans-141.9115.4136.455.50000108.3
65S41.5Very low39.4Very low106 Ų106125.4 Ų125.474%0.74173%0.734SS**  trans-59.1125.6161.845.50000109.2
66D31.6Very low41.8Very low164 Ų164120.2 Ų120.288%0.87772%0.722SS**  trans-163.9130.4143.7-91.7-26.8000108.7D68D66-D68 PolarHBondContact O-N 2.94Å
67G43.8Very low44.5Very low82 Ų82114.8 Ų114.885%0.84569%0.693SS**  trans-75122-172.900000112.2
68D40.8Very low47Very low166 Ų166107.5 Ų107.589%0.88866%0.66SS**  trans-17291136.4-137.8-5.3000108D66D66-D68 PolarHBondContact O-N 2.94Å
69G40.3Very low49.7Very low66 Ų66103.1 Ų103.168%0.6865%0.651SS**  trans-102.6-8.8-159.300000116.8
70D51.5Low52.8Low139 Ų139104 Ų10474%0.74363%0.633SS**Hα-helixtrans-85.3-25.2-162.5-13612.6000113.5
71G51Low55.9Low60 Ų6098.3 Ų98.362%0.61960%0.601SS**Hα-helixtrans-74.9-34.7-175.700000115.4G73 A74 G75G71-G73 PolarHBondContact O-N 2.96Å; G71-A74 PolarHBondContact O-N 3.41Å; G71-G75 PolarHBondContact O-N 3.1Å
72K54.7Low58.8Low194 Ų19497 Ų9784%0.84358%0.581SS**Hα-helixtrans-69.2-34.3-176.2-76.9-177.8178.6173.70112.8S76K72-S76 PolarHBondContact O-N 3.4Å
73G61.1Low61.7Low39 Ų3992.5 Ų92.540%0.40256%0.562SS.*Hα-helixtrans-72.2-36.1178.400000113.4G71 R77G71-G73 PolarHBondContact O-N 2.96Å; G73-R77 WeakPolarHBondContact O-CG 3.3Å; G73-R77 PolarHBondContact O-N 3.38Å; G73-R77 VanDerWaalsContact O-N 3.14Å; G73-R77 PolarHBondContact O-NE 3.25Å
74A62.2Low64.3Low6 Ų684.5 Ų84.55%0.0553%0.526CS..Hα-helixtrans-66.8-45.9177.600000112.3G71 S76 R77 R78G71-A74 PolarHBondContact O-N 3.41Å; A74-S76 VanDerWaalsContact C-N 3.32Å; A74-S76 PolarHBondContact O-N 2.97Å; A74-R77 PolarHBondContact O-N 2.89Å; A74-R78 PolarHBondContact O-N 3.33Å
75G66.3Low67.3Low37 Ų3779.3 Ų79.338%0.38149%0.491SS..Hα-helixtrans-59-40.9176.100000113G71 S79G71-G75 PolarHBondContact O-N 3.1Å; G75-S79 PolarHBondContact O-N 3.39Å; G75-S79 VanDerWaalsContact O-N 3.17Å; G75-S79 PolarHBondContact O-OG 3.31Å; G75-S79 VanDerWaalsContact O-OG 3.14Å
76S76.3Confident69.7Low86 Ų8680.8 Ų80.860%0.60149%0.489SS*.Hα-helixtrans-66.2-39176.3-1740000113.2K72 A74 R80K72-S76 PolarHBondContact O-N 3.4Å; A74-S76 VanDerWaalsContact C-N 3.32Å; A74-S76 PolarHBondContact O-N 2.97Å; S76-R80 PolarHBondContact O-N 3.11Å
77R81.8Confident72.8Confident83 Ų8376.8 Ų76.831%0.31347%0.474SS..Hα-helixtrans-67.5-44.1177.7-74.8-178.3-68.7167.23.7111.7G73 A74 S79 R80 W81 H150G73-R77 WeakPolarHBondContact O-CG 3.3Å; G73-R77 PolarHBondContact O-N 3.38Å; G73-R77 VanDerWaalsContact O-N 3.14Å; G73-R77 PolarHBondContact O-NE 3.25Å; A74-R77 PolarHBondContact O-N 2.89Å; R77-S79 PolarHBondContact O-N 3.28Å; R77-R80 WeakPolarHBondContact O-CB 3.38Å; R77-R80 PolarHBondContact O-N 2.96Å; R77-W81 HydrophobicContact CB-CH2 4.15Å; R77-W81 HydrophobicContact CB-CZ2 4.17Å; R77-W81 HydrophobicContact CB-CZ3 4.46Å; R77-W81 PolarHBondContact O-N 3.42Å; R77-H150 PolarHBondContact NH2-O 2.97Å; R77-H150 VanDerWaalsContact NH2-O 3.1Å
78R80.3Confident75.2Confident54 Ų5474 Ų7420%0.20444%0.44CS..Hα-helixtrans-58.4-49.6177.5178.2177.3177175.32.7111.8A74 R80 W81 I82 L152 T158A74-R78 PolarHBondContact O-N 3.33Å; R78-R80 PolarHBondContact O-N 3.5Å; R78-W81 PolarHBondContact O-N 3.4Å; R78-I82 HydrophobicContact CG-CD1 3.92Å; R78-I82 WeakPolarHBondContact O-CG1 3.5Å; R78-I82 PolarHBondContact O-N 2.83Å; R78-I82 VanDerWaalsContact O-N 3.12Å; R78-L152 HydrophobicContact CB-CD2 4.05Å; R78-L152 HydrophobicContact CG-CD2 4.05Å; R78-T158 PolarHBondContact NH1-OG1 3.07Å; R78-T158 VanDerWaalsContact NH2-CB 3.26Å; R78-T158 PolarHBondContact NH2-OG1 3.26Å
79S81.8Confident77.8Confident80 Ų8074.3 Ų74.356%0.55944%0.436SS*.Hα-helixtrans-60.5-36.6178.6-61.70000112.2G75 R77 S83G75-S79 PolarHBondContact O-N 3.39Å; G75-S79 VanDerWaalsContact O-N 3.17Å; G75-S79 PolarHBondContact O-OG 3.31Å; G75-S79 VanDerWaalsContact O-OG 3.14Å; R77-S79 PolarHBondContact O-N 3.28Å; S79-S83 WeakPolarHBondContact O-CB 3.23Å; S79-S83 PolarHBondContact O-N 2.94Å; S79-S83 VanDerWaalsContact O-N 3.08Å
80R91.6Very high80.4Confident117 Ų11774 Ų7444%0.44242%0.416SS..Hα-helixtrans-60.6-53.7174.2179.2-175.9175.2-162.1-2.4111.3S76 R77 R78 I82 S83 D84 E270S76-R80 PolarHBondContact O-N 3.11Å; R77-R80 WeakPolarHBondContact O-CB 3.38Å; R77-R80 PolarHBondContact O-N 2.96Å; R78-R80 PolarHBondContact O-N 3.5Å; R80-I82 VanDerWaalsContact C-N 3.3Å; R80-I82 PolarHBondContact O-N 3.04Å; R80-S83 WeakPolarHBondContact O-CB 3.48Å; R80-S83 PolarHBondContact O-N 3.43Å; R80-S83 VanDerWaalsContact O-N 3.1Å; R80-D84 IonicContact NE-OD2 3.76Å; R80-D84 WeakPolarHBondContact O-CB 3.4Å; R80-D84 VanDerWaalsContact O-CG 3.28Å; R80-D84 PolarHBondContact O-N 3.33Å; R80-E270 IonicContact CZ-OE1 2.59Å; R80-E270 VanDerWaalsContact CZ-OE1 3.28Å; R80-E270 IonicContact NH1-OE1 2.63Å; R80-E270 PolarHBondContact NH1-OE1 3.27Å; R80-E270 IonicContact NH2-OE1 2.82Å; R80-E270 PolarHBondContact NH2-OE1 2.88Å; R80-E270 IonicContact NH2-OE2 3.53Å; R80-E270 PolarHBondContact NH2-OE2 3.41Å
81W92.3Very high82.6Confident13 Ų1369.5 Ų69.55%0.04939%0.392CS..Hα-helixtrans-62.8-36-176.5-60.9-28000113.6R77 R78 D84 G85 W115 A118 V119 L151 L152 Y269R77-W81 HydrophobicContact CB-CH2 4.15Å; R77-W81 HydrophobicContact CB-CZ2 4.17Å; R77-W81 HydrophobicContact CB-CZ3 4.46Å; R77-W81 PolarHBondContact O-N 3.42Å; R78-W81 PolarHBondContact O-N 3.4Å; W81-D84 PolarHBondContact O-N 3.35Å; W81-G85 PolarHBondContact O-N 2.98Å; W81-W115 AromaticContact CE2-CD1 3.99Å; W81-W115 AromaticContact CH2-CD1 3.79Å; W81-W115 AromaticContact CH2-NE1 3.67Å; W81-W115 AromaticContact CZ2-CD1 3.73Å; W81-W115 AromaticContact CZ2-NE1 3.55Å; W81-A118 HydrophobicContact CB-CB 4.02Å; W81-A118 HydrophobicContact CD2-CB 4.37Å; W81-A118 HydrophobicContact CE3-CB 3.72Å; W81-V119 HydrophobicContact CB-CG2 4.21Å; W81-L151 HydrophobicContact CH2-CB 3.89Å; W81-L151 HydrophobicContact CH2-CD2 4.24Å; W81-L151 HydrophobicContact CH2-CG 4.46Å; W81-L151 HydrophobicContact CZ3-CB 4.01Å; W81-L152 HydrophobicContact CE3-CD2 3.62Å; W81-L152 HydrophobicContact CZ3-CD2 3.51Å; W81-L152 HydrophobicContact CZ3-CG 4.37Å; W81-Y269 HydrophobicContact CB-CE2 4.45Å; W81-Y269 AromaticContact CD1-CD1 3.89Å; W81-Y269 AromaticContact CD1-CD2 3.73Å; W81-Y269 AromaticContact CD1-CE1 3.45Å; W81-Y269 VanDerWaalsContact CD1-CE1 3.45Å; W81-Y269 AromaticContact CD1-CE2 3.29Å; W81-Y269 AromaticContact CD1-CZ 3.14Å; W81-Y269 HydrophobicContact CD2-CE2 4.49Å; W81-Y269 HydrophobicContact CG-CD2 4.42Å; W81-Y269 AromaticContact CG-CE2 3.87Å; W81-Y269 HydrophobicContact CG-CE2 3.87Å; W81-Y269 AromaticContact CG-CZ 3.98Å; W81-Y269 AromaticContact NE1-CD1 3.6Å; W81-Y269 AromaticContact NE1-CD2 3.45Å; W81-Y269 AromaticContact NE1-CE1 3.69Å; W81-Y269 AromaticContact NE1-CE2 3.56Å; W81-Y269 AromaticContact NE1-CG 3.48Å; W81-Y269 AromaticContact NE1-CZ 3.68Å
82I88.9Confident84.8Confident65 Ų6566.7 Ų66.733%0.33336%0.363SS..Hα-helixtrans-64-47.3173.5-66.4168.1000110.3R78 R80 D84 G85 I86 A118R78-I82 HydrophobicContact CG-CD1 3.92Å; R78-I82 WeakPolarHBondContact O-CG1 3.5Å; R78-I82 PolarHBondContact O-N 2.83Å; R78-I82 VanDerWaalsContact O-N 3.12Å; R80-I82 VanDerWaalsContact C-N 3.3Å; R80-I82 PolarHBondContact O-N 3.04Å; I82-D84 VanDerWaalsContact C-N 3.3Å; I82-D84 PolarHBondContact O-N 3.41Å; I82-G85 PolarHBondContact O-N 2.98Å; I82-I86 HydrophobicContact CG2-CD1 3.87Å; I82-I86 WeakPolarHBondContact O-CG1 3.46Å; I82-I86 PolarHBondContact O-N 3.34Å; I82-I86 VanDerWaalsContact O-N 3.07Å; I82-A118 WeakPolarHBondContact CG1-O 3.49Å
83S89.7Confident86.7Confident71 Ų7160.3 Ų60.350%0.49734%0.34SS..Hα-helixtrans-61.4-40.3177.5-172.70000112S79 R80 G85 I86 S87S79-S83 WeakPolarHBondContact O-CB 3.23Å; S79-S83 PolarHBondContact O-N 2.94Å; S79-S83 VanDerWaalsContact O-N 3.08Å; R80-S83 WeakPolarHBondContact O-CB 3.48Å; R80-S83 PolarHBondContact O-N 3.43Å; R80-S83 VanDerWaalsContact O-N 3.1Å; S83-G85 VanDerWaalsContact C-N 3.33Å; S83-G85 PolarHBondContact O-N 3.18Å; S83-I86 PolarHBondContact O-N 2.78Å; S83-S87 WeakPolarHBondContact O-CB 3.2Å; S83-S87 PolarHBondContact O-N 2.82Å
84D94.5Very high88.4Confident28 Ų2858.7 Ų58.715%0.1532%0.321CS..Hα-helixtrans-61.9-42.4177.9-72.7-14.7000110.3R80 W81 I82 S87 Y269 F273R80-D84 IonicContact NE-OD2 3.76Å; R80-D84 WeakPolarHBondContact O-CB 3.4Å; R80-D84 VanDerWaalsContact O-CG 3.28Å; R80-D84 PolarHBondContact O-N 3.33Å; W81-D84 PolarHBondContact O-N 3.35Å; I82-D84 VanDerWaalsContact C-N 3.3Å; I82-D84 PolarHBondContact O-N 3.41Å; D84-S87 PolarHBondContact O-N 2.87Å; D84-S87 PolarHBondContact O-OG 3.08Å; D84-Y269 VanDerWaalsContact CB-OH 3.26Å; D84-Y269 WeakPolarHBondContact CB-OH 3.32Å; D84-Y269 WeakPolarHBondContact OD2-CE1 3.41Å; D84-Y269 PolarHBondContact OD2-OH 3.04Å; D84-F273 HydrophobicContact CB-CD2 4.21Å; D84-F273 HydrophobicContact CB-CE2 3.64Å; D84-F273 HydrophobicContact CB-CZ 3.8Å
85G92Very high90.1Very high9 Ų958.4 Ų58.49%0.09332%0.319CS..Hα-helixtrans-62.9-41.9174.100000114.3W81 I82 S83 S87 L88 V119W81-G85 PolarHBondContact O-N 2.98Å; I82-G85 PolarHBondContact O-N 2.98Å; S83-G85 VanDerWaalsContact C-N 3.33Å; S83-G85 PolarHBondContact O-N 3.18Å; G85-S87 PolarHBondContact O-N 3.3Å; G85-L88 PolarHBondContact O-N 2.88Å; G85-V119 VanDerWaalsContact CA-CG1 3.42Å
86I91.9Very high91.6Very high137 Ų13756.6 Ų56.670%0.70330%0.301SS*.Hα-helixtrans-66.4-28.5176.9-65.7165.6000111.6I82 S83 L88I82-I86 HydrophobicContact CG2-CD1 3.87Å; I82-I86 WeakPolarHBondContact O-CG1 3.46Å; I82-I86 PolarHBondContact O-N 3.34Å; I82-I86 VanDerWaalsContact O-N 3.07Å; S83-I86 PolarHBondContact O-N 2.78Å; I86-L88 VanDerWaalsContact C-N 3.29Å; I86-L88 PolarHBondContact O-N 3.27Å
87S95.3Very high92.7Very high81 Ų8152.5 Ų52.557%0.56627%0.272SS*.THydrogen-bonded Turntrans-74.8-15-178.177.40000114.6S83 D84 G85S83-S87 WeakPolarHBondContact O-CB 3.2Å; S83-S87 PolarHBondContact O-N 2.82Å; D84-S87 PolarHBondContact O-N 2.87Å; D84-S87 PolarHBondContact O-OG 3.08Å; G85-S87 PolarHBondContact O-N 3.3Å
88L95.1Very high93.5Very high23 Ų2348.6 Ų48.612%0.1226%0.258CS..SBendtrans-79.3139.6179.2-62.9173.8000110.5G85 I86 K90 L91 F273 L276 Q277G85-L88 PolarHBondContact O-N 2.88Å; I86-L88 VanDerWaalsContact C-N 3.29Å; I86-L88 PolarHBondContact O-N 3.27Å; L88-K90 PolarHBondContact O-N 3.05Å; L88-L91 HydrophobicContact CD1-CD1 3.75Å; L88-F273 HydrophobicContact CD1-CE2 3.95Å; L88-F273 HydrophobicContact CD2-CE2 3.99Å; L88-F273 HydrophobicContact CD2-CZ 4.02Å; L88-F273 HydrophobicContact CG-CE2 4.04Å; L88-F273 HydrophobicContact CG-CZ 4.4Å; L88-L276 HydrophobicContact CD1-CB 3.83Å; L88-Q277 HydrophobicContact CD2-CB 4.44Å; L88-Q277 HydrophobicContact CD2-CG 3.75Å
89E95.1Very high94.4Very high172 Ų17246 Ų4680%0.80425%0.248SC*.SBendtrans-61.9-33.8176.5-61.9-178.7167.700111.8S280E89-S280 WeakPolarHBondContact CB-OG 3.49Å; E89-S280 PolarHBondContact N-OG 3.3Å
90K95.3Very high95.1Very high59 Ų5942.7 Ų42.726%0.25723%0.225SC..  trans-150.5145.6170.863.6-179.9-169.7172.30111L88 Y279 S280 C282L88-K90 PolarHBondContact O-N 3.05Å; K90-Y279 HydrophobicContact CD-CE1 4.25Å; K90-Y279 WeakPolarHBondContact CE-O 3.24Å; K90-Y279 HydrophobicContact CG-CD1 4.4Å; K90-Y279 HydrophobicContact CG-CE1 4.03Å; K90-S280 WeakPolarHBondContact CE-O 3.4Å; K90-S280 PolarHBondContact N-OG 3.02Å; K90-S280 WeakPolarHBondContact O-CB 3.33Å; K90-C282 WeakPolarHBondContact CE-O 3.3Å; K90-C282 PolarHBondContact NZ-O 3.49Å
91L96.4Very high95.3Very high46 Ų4639.1 Ų39.124%0.24121%0.213CC..  trans-117138.4178.4-171.273.3000109.2L88 V93 V119 G120 V121 L276L88-L91 HydrophobicContact CD1-CD1 3.75Å; L91-V93 PolarHBondContact O-N 2.86Å; L91-V119 HydrophobicContact CD1-CG1 3.75Å; L91-G120 VanDerWaalsContact CD2-C 3.49Å; L91-V121 HydrophobicContact CD1-CG2 4.19Å; L91-V121 HydrophobicContact CD2-CG2 4.17Å; L91-V121 HydrophobicContact CG-CG2 4.12Å; L91-L276 HydrophobicContact CD1-CD1 4.43Å; L91-L276 HydrophobicContact CD1-CD2 4.27Å
92P97.2Very high95.2Very high1 Ų146.6 Ų46.61%0.00625%0.249CC..  trans-68.8131.6178.628.1-31.5000109.8H94 V121 E234 L235 L276 Y279P92-H94 VanDerWaalsContact C-N 3.28Å; P92-H94 PolarHBondContact O-N 2.89Å; P92-V121 HydrophobicContact CG-CG2 4.45Å; P92-E234 WeakPolarHBondContact CA-OE2 3.19Å; P92-E234 HydrophobicContact CB-CB 3.95Å; P92-L235 HydrophobicContact CB-CB 3.92Å; P92-L235 HydrophobicContact CG-CB 4.05Å; P92-L235 HydrophobicContact CG-CD2 4.1Å; P92-L276 HydrophobicContact CG-CD2 3.74Å; P92-Y279 HydrophobicContact CB-CD1 4.1Å; P92-Y279 HydrophobicContact CB-CE1 3.73Å; P92-Y279 HydrophobicContact CB-CE2 4.47Å; P92-Y279 HydrophobicContact CG-CD1 4.09Å; P92-Y279 HydrophobicContact CG-CE1 4.16Å; P92-Y279 VanDerWaalsContact N-CE1 3.3Å
93V95.5Very high95.5Very high60 Ų6050 Ų5036%0.36426%0.263SS..SBendtrans-66.6-38175.4177.70000110.4L91 S122 Y123 P231 E234L91-V93 PolarHBondContact O-N 2.86Å; V93-S122 PolarHBondContact O-N 2.95Å; V93-Y123 HydrophobicContact CG1-CD2 3.9Å; V93-Y123 HydrophobicContact CG1-CE2 4.01Å; V93-Y123 PolarHBondContact O-N 2.81Å; V93-P231 HydrophobicContact CG1-CG 3.93Å; V93-E234 PolarHBondContact N-OE2 2.95Å
94H96.8Very high95.8Very high4 Ų448.1 Ų48.12%0.01925%0.247CC..EExtended strand (participates in β ladder)trans-130.4123.9179.1-178.6-169.2000111.2P92 Y123 S125 P231 E234 L235P92-H94 VanDerWaalsContact C-N 3.28Å; P92-H94 PolarHBondContact O-N 2.89Å; H94-Y123 WeakPolarHBondContact CA-O 3.31Å; H94-Y123 PolarHBondContact CD2-O 2.85Å; H94-S125 PolarHBondContact CE1-OG 2.89Å; H94-S125 WeakPolarHBondContact NE2-CB 3.31Å; H94-S125 PolarHBondContact NE2-OG 2.92Å; H94-P231 HydrophobicContact CB-CG 4.2Å; H94-P231 PolarHBondContact ND1-O 3.35Å; H94-E234 PolarHBondContact O-N 2.81Å; H94-L235 PolarHBondContact O-N 3.47Å
95I98.4Very high95.9Very high0 Ų048.1 Ų48.10%025%0.25CC..EExtended strand (participates in β ladder)trans-110.2137.8175-162.8173.3000111.7L97 C116 V121 Y123 V124 S125 L235 V237 L272 L276I95-L97 HydrophobicContact CD1-CD2 4.45Å; I95-C116 HydrophobicContact CG2-CB 4.25Å; I95-V121 HydrophobicContact CB-CG1 4.2Å; I95-V121 HydrophobicContact CG2-CG1 3.79Å; I95-Y123 PolarHBondContact N-O 3.33Å; I95-V124 HydrophobicContact CG2-CB 4.19Å; I95-V124 HydrophobicContact CG2-CG1 3.94Å; I95-V124 HydrophobicContact CG2-CG2 3.9Å; I95-V124 CarbonylContact O-C 3.52Å; I95-V124 WeakPolarHBondContact O-CA 3.38Å; I95-S125 PolarHBondContact O-N 3.36Å; I95-L235 CarbonylContact C-O 3.58Å; I95-L235 VanDerWaalsContact CA-O 3.29Å; I95-L235 WeakPolarHBondContact CA-O 3.43Å; I95-L235 HydrophobicContact CD1-CD2 3.87Å; I95-L235 HydrophobicContact CD1-CG 4.34Å; I95-L235 HydrophobicContact CG1-CB 4.25Å; I95-L235 HydrophobicContact CG1-CD2 4.19Å; I95-L235 HydrophobicContact CG1-CG 4.14Å; I95-V237 HydrophobicContact CD1-CG2 3.95Å; I95-V237 HydrophobicContact CG1-CG2 4.41Å; I95-L272 HydrophobicContact CD1-CD1 4.42Å; I95-L276 HydrophobicContact CD1-CD2 4.26Å
96G98.4Very high96.2Very high0 Ų050 Ų500%026%0.256CS..EExtended strand (participates in β ladder)trans-103.8127.2170.100000112.1S125 L235 V236 V237G96-S125 CarbonylContact C-O 3.55Å; G96-S125 WeakPolarHBondContact CA-O 3.42Å; G96-L235 PolarHBondContact N-O 3.46Å; G96-V236 CarbonylContact O-C 3.59Å; G96-V236 VanDerWaalsContact O-CA 3.27Å; G96-V236 WeakPolarHBondContact O-CA 3.41Å; G96-V237 PolarHBondContact O-N 3.43Å
97L98.7Very high96.5Very high0 Ų046.1 Ų46.10%024%0.238CC..EExtended strand (participates in β ladder)trans-101.5102.4171.8-56.7-177.1000108.7I95 M112 V113 V124 S125 V126 Y127 V237 F239I95-L97 HydrophobicContact CD1-CD2 4.45Å; L97-M112 HydrophobicContact CD1-CB 3.92Å; L97-V113 HydrophobicContact CD1-CG2 4.08Å; L97-V124 HydrophobicContact CD1-CG1 3.97Å; L97-V124 HydrophobicContact CG-CG1 4.18Å; L97-S125 PolarHBondContact N-O 2.87Å; L97-V126 HydrophobicContact CD1-CG2 4.42Å; L97-Y127 PolarHBondContact O-N 3.17Å; L97-V237 HydrophobicContact CD2-CB 4.15Å; L97-V237 HydrophobicContact CD2-CG2 4.5Å; L97-F239 HydrophobicContact CB-CE2 4.26Å; L97-F239 HydrophobicContact CD2-CE2 4.21Å; L97-F239 HydrophobicContact CD2-CZ 4.43Å
98V98.6Very high96.6Very high1 Ų143.2 Ų43.21%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-104109.1-175.21730000109.8Y127 V236 V237 K238 F239 F248V98-Y127 HydrophobicContact CG1-CD1 4.03Å; V98-Y127 HydrophobicContact CG2-CD1 4.39Å; V98-V236 HydrophobicContact CB-CG1 4.08Å; V98-V236 HydrophobicContact CG2-CG1 3.61Å; V98-V237 PolarHBondContact N-O 2.83Å; V98-K238 HydrophobicContact CB-CG 4.45Å; V98-K238 HydrophobicContact CG1-CG 4.18Å; V98-K238 CarbonylContact O-C 3.58Å; V98-K238 WeakPolarHBondContact O-CA 3.23Å; V98-F239 PolarHBondContact O-N 3.47Å; V98-F248 HydrophobicContact CG2-CB 4.08Å; V98-F248 HydrophobicContact CG2-CD1 3.96Å; V98-F248 HydrophobicContact CG2-CD2 3.63Å; V98-F248 HydrophobicContact CG2-CE1 4.3Å; V98-F248 HydrophobicContact CG2-CE2 3.94Å; V98-F248 HydrophobicContact CG2-CG 3.62Å; V98-F248 HydrophobicContact CG2-CZ 4.28Å
99V98.3Very high96.8Very high0 Ų042.1 Ų42.10%021%0.211CC..EExtended strand (participates in β ladder)trans-97.2109.1-179.2-167.40000110.2E101 L104 I109 Y127 F133 F239 H264V99-E101 HydrophobicContact CG1-CB 4.33Å; V99-L104 HydrophobicContact CB-CD2 4.01Å; V99-L104 HydrophobicContact CG1-CD2 3.36Å; V99-I109 HydrophobicContact CG2-CD1 3.46Å; V99-I109 VanDerWaalsContact CG2-CD1 3.46Å; V99-I109 HydrophobicContact CG2-CG1 4.29Å; V99-Y127 PolarHBondContact N-O 3.07Å; V99-F133 HydrophobicContact CB-CE2 4.1Å; V99-F133 HydrophobicContact CG2-CE2 3.77Å; V99-F133 HydrophobicContact CG2-CZ 4.2Å; V99-F239 HydrophobicContact CG2-CD2 4.19Å; V99-H264 HydrophobicContact CG1-CB 4.43Å; V99-H264 WeakPolarHBondContact CG1-ND1 3.15Å
100A96.3Very high96.9Very high9 Ų933.9 Ų33.97%0.07417%0.172CC..  trans-101.921.6179.600000113.1F239 V242 L246A100-F239 VanDerWaalsContact CB-O 3.26Å; A100-F239 WeakPolarHBondContact CB-O 3.27Å; A100-F239 PolarHBondContact N-O 3.43Å; A100-V242 HydrophobicContact CB-CB 3.98Å; A100-V242 HydrophobicContact CB-CG2 4.33Å; A100-L246 HydrophobicContact CB-CD1 3.54Å
101E95.5Very high97Very high43 Ų4332.2 Ų32.220%0.20117%0.166CC..  trans-103.7152.3177.3-66.9174.499.200110.4V99 L104 S263 H264V99-E101 HydrophobicContact CG1-CB 4.33Å; E101-L104 WeakPolarHBondContact O-CD2 3.47Å; E101-S263 VanDerWaalsContact CD-OG 3.28Å; E101-S263 WeakPolarHBondContact OE1-CB 3.47Å; E101-S263 PolarHBondContact OE1-OG 3.47Å; E101-S263 WeakPolarHBondContact OE2-CA 3.11Å; E101-S263 PolarHBondContact OE2-OG 3.33Å; E101-S263 VanDerWaalsContact OE2-OG 3.11Å; E101-H264 IonicContact OE2-CE1 3.28Å; E101-H264 IonicContact OE2-CG 3.07Å; E101-H264 PolarHBondContact OE2-N 3.03Å; E101-H264 IonicContact OE2-ND1 2.67Å; E101-H264 PolarHBondContact OE2-ND1 3.24Å
102E91.8Very high97Very high170 Ų17030 Ų3079%0.79415%0.154SC*.SBendtrans-75.1-40.7-178.1-65.5179.7-179.400112.5
103E94.7Very high97Very high135 Ų13530 Ų3063%0.63115%0.154SC*.SBendtrans-94.8114179.9-69.9-180-178.400110.4H264 K265E103-H264 PolarHBondContact O-CE1 3.11Å; E103-H264 PolarHBondContact O-NE2 3.06Å; E103-K265 VanDerWaalsContact O-CE 3.27Å; E103-K265 WeakPolarHBondContact O-CE 3.06Å; E103-K265 IonicContact OE2-NZ 3.51Å; E103-K265 PolarHBondContact OE2-NZ 3.37Å
104L95.9Very high97Very high32 Ų3227.1 Ų27.117%0.16814%0.137CC..  trans-98132.8-175.3-54179.8000112.1V99 E101 D128 I132 F133V99-L104 HydrophobicContact CB-CD2 4.01Å; V99-L104 HydrophobicContact CG1-CD2 3.36Å; E101-L104 WeakPolarHBondContact O-CD2 3.47Å; L104-D128 HydrophobicContact CD1-CB 4.12Å; L104-I132 HydrophobicContact CD1-CB 3.57Å; L104-I132 HydrophobicContact CD1-CD1 3.83Å; L104-I132 HydrophobicContact CD1-CG1 4.26Å; L104-I132 HydrophobicContact CD1-CG2 3.73Å; L104-I132 HydrophobicContact CG-CD1 4.49Å; L104-F133 HydrophobicContact CB-CE1 4.16Å; L104-F133 HydrophobicContact CB-CZ 3.88Å; L104-F133 HydrophobicContact CD1-CD2 4.2Å; L104-F133 HydrophobicContact CD1-CE1 4.18Å; L104-F133 HydrophobicContact CD1-CE2 3.83Å; L104-F133 HydrophobicContact CD1-CZ 3.8Å; L104-F133 HydrophobicContact CD2-CE2 4.15Å; L104-F133 HydrophobicContact CD2-CZ 4.08Å; L104-F133 HydrophobicContact CG-CE2 4.45Å; L104-F133 HydrophobicContact CG-CZ 4.15Å
105S97.5Very high97Very high29 Ų2927.8 Ų27.820%0.20314%0.139CC..  trans-102.5108.6171.5178.80000109.9T107 D108 I109 H264S105-T107 VanDerWaalsContact C-N 3.32Å; S105-D108 WeakPolarHBondContact CB-OD2 3.46Å; S105-D108 PolarHBondContact OG-N 3.08Å; S105-D108 PolarHBondContact OG-OD2 3.31Å; S105-I109 WeakPolarHBondContact O-CG1 3.36Å; S105-I109 PolarHBondContact O-N 3.04Å; S105-H264 PolarHBondContact N-NE2 3.06Å
106F97.7Very high96.9Very high48 Ų4827.8 Ų27.821%0.21114%0.139CC..Hα-helixtrans-66.6-37.7178.8-75-112.5000111.2I109 A110 I132 F133 N136 L140 E143F106-I109 PolarHBondContact O-N 3.18Å; F106-A110 VanDerWaalsContact O-CB 3.23Å; F106-A110 WeakPolarHBondContact O-CB 3.48Å; F106-A110 PolarHBondContact O-N 3.47Å; F106-I132 HydrophobicContact CZ-CG2 4.39Å; F106-F133 HydrophobicContact CD1-CD1 4.26Å; F106-F133 HydrophobicContact CD1-CE1 4.41Å; F106-F133 HydrophobicContact CD2-CE1 4.37Å; F106-F133 AromaticContact CE1-CD1 3.92Å; F106-F133 HydrophobicContact CE1-CD1 3.92Å; F106-F133 HydrophobicContact CE1-CE1 4.38Å; F106-F133 HydrophobicContact CE2-CD1 4.46Å; F106-F133 HydrophobicContact CE2-CE1 4.32Å; F106-F133 HydrophobicContact CG-CE1 4.4Å; F106-F133 HydrophobicContact CZ-CD1 4.02Å; F106-F133 HydrophobicContact CZ-CE1 4.32Å; F106-N136 HydrophobicContact CE1-CB 3.8Å; F106-N136 HydrophobicContact CZ-CB 3.77Å; F106-L140 HydrophobicContact CD1-CB 3.82Å; F106-L140 HydrophobicContact CD1-CD1 4.01Å; F106-L140 HydrophobicContact CD1-CG 4.5Å; F106-L140 HydrophobicContact CE1-CB 4.02Å; F106-E143 HydrophobicContact CB-CG 4.42Å
107T97.7Very high96.6Very high55 Ų5528 Ų2834%0.33714%0.14SC..Hα-helixtrans-64-45.8178.8-60.30000112.2S105 I109 A110 N111 E143S105-T107 VanDerWaalsContact C-N 3.32Å; T107-I109 VanDerWaalsContact C-N 3.34Å; T107-I109 PolarHBondContact O-N 3.27Å; T107-A110 PolarHBondContact O-N 3.28Å; T107-N111 PolarHBondContact O-N 3.34Å; T107-N111 PolarHBondContact O-ND2 3.02Å; T107-E143 WeakPolarHBondContact CB-OE1 3.26Å; T107-E143 WeakPolarHBondContact CG2-OE1 3.16Å; T107-E143 PolarHBondContact OG1-OE1 3.09Å
108D98.1Very high96.2Very high20 Ų2028.1 Ų28.111%0.10714%0.142CC..Hα-helixtrans-64.1-41.7178.5-71.5-66.3000111.4S105 N111 M112 H264 N266S105-D108 WeakPolarHBondContact CB-OD2 3.46Å; S105-D108 PolarHBondContact OG-N 3.08Å; S105-D108 PolarHBondContact OG-OD2 3.31Å; D108-N111 WeakPolarHBondContact O-CB 3.36Å; D108-N111 PolarHBondContact O-N 2.81Å; D108-M112 VanDerWaalsContact C-CE 3.47Å; D108-M112 HydrophobicContact CB-CE 3.89Å; D108-M112 WeakPolarHBondContact O-CE 3.42Å; D108-M112 WeakPolarHBondContact O-CG 3.34Å; D108-M112 PolarHBondContact O-N 3.49Å; D108-H264 VanDerWaalsContact CB-O 3.24Å; D108-H264 WeakPolarHBondContact CB-O 3.39Å; D108-N266 WeakPolarHBondContact OD1-CA 3.01Å; D108-N266 PolarHBondContact OD1-N 3.15Å; D108-N266 PolarHBondContact OD2-N 2.9Å
109I98.3Very high96Very high0 Ų028.4 Ų28.40%014%0.143CC..Hα-helixtrans-66.3-41.8177.2-64.4-67.2000111.2V99 S105 F106 T107 N111 M112 V113 V126 F133 L140 H264V99-I109 HydrophobicContact CG2-CD1 3.46Å; V99-I109 VanDerWaalsContact CG2-CD1 3.46Å; V99-I109 HydrophobicContact CG2-CG1 4.29Å; S105-I109 WeakPolarHBondContact O-CG1 3.36Å; S105-I109 PolarHBondContact O-N 3.04Å; F106-I109 PolarHBondContact O-N 3.18Å; T107-I109 VanDerWaalsContact C-N 3.34Å; T107-I109 PolarHBondContact O-N 3.27Å; I109-N111 VanDerWaalsContact C-N 3.34Å; I109-N111 PolarHBondContact O-N 2.89Å; I109-M112 HydrophobicContact CD1-CE 3.91Å; I109-M112 PolarHBondContact O-N 2.74Å; I109-V113 HydrophobicContact CG2-CG2 4.44Å; I109-V113 VanDerWaalsContact O-CG2 3.31Å; I109-V113 WeakPolarHBondContact O-CG2 3.27Å; I109-V113 PolarHBondContact O-N 3.3Å; I109-V126 HydrophobicContact CG2-CG1 3.72Å; I109-V126 HydrophobicContact CG2-CG2 3.98Å; I109-F133 HydrophobicContact CB-CZ 4.49Å; I109-F133 HydrophobicContact CG1-CE1 4.26Å; I109-F133 HydrophobicContact CG1-CZ 3.77Å; I109-L140 HydrophobicContact CG2-CD1 4.23Å; I109-H264 HydrophobicContact CD1-CB 4.12Å
110A97.4Very high95.7Very high0 Ų030.6 Ų30.60%017%0.165CC..Hα-helixtrans-58.9-44.6173.900000112F106 T107 M112 V113 V114 E143 I144 Q147F106-A110 VanDerWaalsContact O-CB 3.23Å; F106-A110 WeakPolarHBondContact O-CB 3.48Å; F106-A110 PolarHBondContact O-N 3.47Å; T107-A110 PolarHBondContact O-N 3.28Å; A110-M112 VanDerWaalsContact C-N 3.33Å; A110-M112 PolarHBondContact O-N 3.42Å; A110-V113 PolarHBondContact O-N 2.93Å; A110-V114 VanDerWaalsContact O-CG2 3.31Å; A110-V114 WeakPolarHBondContact O-CG2 3.47Å; A110-V114 PolarHBondContact O-N 2.83Å; A110-E143 HydrophobicContact CB-CB 4.29Å; A110-E143 HydrophobicContact CB-CG 3.82Å; A110-I144 HydrophobicContact CB-CB 4.44Å; A110-I144 HydrophobicContact CB-CG1 3.81Å; A110-Q147 HydrophobicContact CB-CB 4.25Å; A110-Q147 HydrophobicContact CB-CG 3.8Å
111N97.2Very high95.6Very high23 Ų2330.2 Ų30.212%0.12316%0.163CC..Hα-helixtrans-57.2-47174.5-70.1-25.5000111.5T107 D108 I109 V113 V114 W115 Q147 L151T107-N111 PolarHBondContact O-N 3.34Å; T107-N111 PolarHBondContact O-ND2 3.02Å; D108-N111 WeakPolarHBondContact O-CB 3.36Å; D108-N111 PolarHBondContact O-N 2.81Å; I109-N111 VanDerWaalsContact C-N 3.34Å; I109-N111 PolarHBondContact O-N 2.89Å; N111-V113 PolarHBondContact O-N 3.3Å; N111-V114 PolarHBondContact O-N 3.49Å; N111-W115 HydrophobicContact CB-CH2 3.9Å; N111-W115 HydrophobicContact CB-CZ2 3.87Å; N111-W115 HydrophobicContact CB-CZ3 4.27Å; N111-W115 VanDerWaalsContact O-CD2 3.25Å; N111-W115 PolarHBondContact O-N 3.34Å; N111-Q147 VanDerWaalsContact OD1-CD 3.22Å; N111-Q147 WeakPolarHBondContact OD1-CG 3.25Å; N111-Q147 PolarHBondContact OD1-OE1 2.84Å; N111-Q147 VanDerWaalsContact OD1-OE1 3.04Å; N111-L151 HydrophobicContact CB-CD1 4.38Å
112M98.1Very high95.5Very high0 Ų030.8 Ų30.80%017%0.171CC..Hα-helixtrans-63.7-41178.8-71.9178.2-106.300112.8L97 D108 I109 A110 W115 C116 F239 H264 V267 L272L97-M112 HydrophobicContact CD1-CB 3.92Å; D108-M112 VanDerWaalsContact C-CE 3.47Å; D108-M112 HydrophobicContact CB-CE 3.89Å; D108-M112 WeakPolarHBondContact O-CE 3.42Å; D108-M112 WeakPolarHBondContact O-CG 3.34Å; D108-M112 PolarHBondContact O-N 3.49Å; I109-M112 HydrophobicContact CD1-CE 3.91Å; I109-M112 PolarHBondContact O-N 2.74Å; A110-M112 VanDerWaalsContact C-N 3.33Å; A110-M112 PolarHBondContact O-N 3.42Å; M112-W115 HydrophobicContact CB-CE3 4.47Å; M112-W115 HydrophobicContact CG-CE3 3.99Å; M112-W115 HydrophobicContact CG-CZ3 3.95Å; M112-W115 PolarHBondContact O-N 3.43Å; M112-C116 PolarHBondContact O-N 2.99Å; M112-C116 PolarHBondContact O-SG 3.41Å; M112-F239 HydrophobicContact CE-CE1 4.39Å; M112-F239 HydrophobicContact CE-CZ 4.24Å; M112-F239 HydrophobicContact SD-CE1 3.76Å; M112-F239 HydrophobicContact SD-CE2 4.07Å; M112-F239 HydrophobicContact SD-CZ 3.28Å; M112-F239 WeakPolarHBondContact SD-CZ 3.41Å; M112-H264 HydrophobicContact CE-CB 4.01Å; M112-H264 VanDerWaalsContact CE-O 3.29Å; M112-H264 WeakPolarHBondContact CE-O 3.04Å; M112-V267 HydrophobicContact CE-CB 3.92Å; M112-V267 HydrophobicContact CE-CG1 4.37Å; M112-V267 HydrophobicContact CE-CG2 3.99Å; M112-V267 HydrophobicContact CG-CG1 4.21Å; M112-V267 HydrophobicContact SD-CB 4.12Å; M112-V267 HydrophobicContact SD-CG1 3.9Å; M112-V267 HydrophobicContact SD-CG2 4.28Å; M112-L272 HydrophobicContact CB-CD2 4.47Å
113V97.2Very high95.6Very high0 Ų025.1 Ų25.10%014%0.143CC..Hα-helixtrans-58.7-49.8173.8170.30000110L97 I109 A110 N111 W115 C116 M117 V124 V126 I144 M161 V182L97-V113 HydrophobicContact CD1-CG2 4.08Å; I109-V113 HydrophobicContact CG2-CG2 4.44Å; I109-V113 VanDerWaalsContact O-CG2 3.31Å; I109-V113 WeakPolarHBondContact O-CG2 3.27Å; I109-V113 PolarHBondContact O-N 3.3Å; A110-V113 PolarHBondContact O-N 2.93Å; N111-V113 PolarHBondContact O-N 3.3Å; V113-W115 VanDerWaalsContact C-N 3.34Å; V113-W115 PolarHBondContact O-N 3.47Å; V113-C116 WeakPolarHBondContact O-CB 3.43Å; V113-C116 PolarHBondContact O-N 2.9Å; V113-M117 HydrophobicContact CG1-SD 3.94Å; V113-M117 VanDerWaalsContact O-CG 3.24Å; V113-M117 WeakPolarHBondContact O-CG 3.33Å; V113-M117 PolarHBondContact O-N 3.44Å; V113-V124 HydrophobicContact CG2-CG1 3.94Å; V113-V126 HydrophobicContact CG2-CG2 3.85Å; V113-I144 HydrophobicContact CB-CD1 4.48Å; V113-I144 HydrophobicContact CB-CG1 4.44Å; V113-I144 HydrophobicContact CG1-CD1 4.17Å; V113-I144 HydrophobicContact CG1-CG1 4.36Å; V113-I144 HydrophobicContact CG1-CG2 4.24Å; V113-I144 HydrophobicContact CG2-CD1 4.36Å; V113-M161 HydrophobicContact CG1-CE 4.15Å; V113-V182 HydrophobicContact CG1-CG1 4.41Å; V113-V182 HydrophobicContact CG1-CG2 3.61Å
114V94.8Very high95.7Very high0 Ų018.8 Ų18.80%011%0.113CC..Hα-helixtrans-62.1-40.4179.5173.50000111.7A110 N111 M117 A118 I144 Q147 Q148 L151 L152A110-V114 VanDerWaalsContact O-CG2 3.31Å; A110-V114 WeakPolarHBondContact O-CG2 3.47Å; A110-V114 PolarHBondContact O-N 2.83Å; N111-V114 PolarHBondContact O-N 3.49Å; V114-M117 PolarHBondContact O-N 3.4Å; V114-A118 VanDerWaalsContact O-CB 3.3Å; V114-A118 WeakPolarHBondContact O-CB 3.29Å; V114-A118 PolarHBondContact O-N 2.96Å; V114-I144 HydrophobicContact CG2-CG2 4.49Å; V114-Q147 HydrophobicContact CG2-CB 4.17Å; V114-Q148 HydrophobicContact CG2-CB 4.09Å; V114-L151 HydrophobicContact CB-CD1 4.13Å; V114-L151 HydrophobicContact CG1-CB 4.11Å; V114-L151 HydrophobicContact CG1-CD1 3.88Å; V114-L152 HydrophobicContact CG1-CD1 3.84Å; V114-L152 HydrophobicContact CG1-CG 3.99Å
115W96.8Very high95.8Very high19 Ų1917.3 Ų17.37%0.07211%0.106CC..Hα-helixtrans-64.4-43.4174.9-63.8-29.4000112.4W81 N111 M112 V113 M117 A118 V119 V267 Y269 L272W81-W115 AromaticContact CE2-CD1 3.99Å; W81-W115 AromaticContact CH2-CD1 3.79Å; W81-W115 AromaticContact CH2-NE1 3.67Å; W81-W115 AromaticContact CZ2-CD1 3.73Å; W81-W115 AromaticContact CZ2-NE1 3.55Å; N111-W115 HydrophobicContact CB-CH2 3.9Å; N111-W115 HydrophobicContact CB-CZ2 3.87Å; N111-W115 HydrophobicContact CB-CZ3 4.27Å; N111-W115 VanDerWaalsContact O-CD2 3.25Å; N111-W115 PolarHBondContact O-N 3.34Å; M112-W115 HydrophobicContact CB-CE3 4.47Å; M112-W115 HydrophobicContact CG-CE3 3.99Å; M112-W115 HydrophobicContact CG-CZ3 3.95Å; M112-W115 PolarHBondContact O-N 3.43Å; V113-W115 VanDerWaalsContact C-N 3.34Å; V113-W115 PolarHBondContact O-N 3.47Å; W115-M117 VanDerWaalsContact C-N 3.3Å; W115-M117 PolarHBondContact O-N 3.39Å; W115-A118 PolarHBondContact O-N 2.97Å; W115-V119 WeakPolarHBondContact O-CB 3.47Å; W115-V119 VanDerWaalsContact O-CG2 3.24Å; W115-V119 WeakPolarHBondContact O-CG2 3.2Å; W115-V119 PolarHBondContact O-N 3.44Å; W115-V267 VanDerWaalsContact CH2-O 3.23Å; W115-V267 WeakPolarHBondContact CH2-O 3.46Å; W115-V267 HydrophobicContact CZ3-CG1 4.34Å; W115-Y269 HydrophobicContact CB-CD2 4Å; W115-Y269 HydrophobicContact CB-CE2 4.29Å; W115-Y269 AromaticContact CD1-CD2 3.98Å; W115-Y269 HydrophobicContact CD2-CD2 4.02Å; W115-Y269 AromaticContact CG-CD2 3.73Å; W115-Y269 HydrophobicContact CG-CD2 3.73Å; W115-Y269 HydrophobicContact CG-CE2 4.44Å; W115-L272 HydrophobicContact CB-CD2 3.63Å; W115-L272 HydrophobicContact CE3-CB 4.42Å; W115-L272 HydrophobicContact CE3-CD2 3.9Å; W115-L272 HydrophobicContact CG-CD2 4.48Å
116C96.6Very high95.8Very high0 Ų016 Ų160%010%0.096CC..Hα-helixtrans-57.1-46.8175.6-67.30000110.8I95 M112 V113 V119 G120 V121 V124I95-C116 HydrophobicContact CG2-CB 4.25Å; M112-C116 PolarHBondContact O-N 2.99Å; M112-C116 PolarHBondContact O-SG 3.41Å; V113-C116 WeakPolarHBondContact O-CB 3.43Å; V113-C116 PolarHBondContact O-N 2.9Å; C116-V119 PolarHBondContact O-N 3.4Å; C116-G120 PolarHBondContact O-N 3.43Å; C116-V121 HydrophobicContact CB-CB 4.09Å; C116-V121 HydrophobicContact CB-CG2 4.28Å; C116-V121 VanDerWaalsContact O-CB 3.3Å; C116-V121 WeakPolarHBondContact O-CB 3.45Å; C116-V121 PolarHBondContact O-N 2.95Å; C116-V124 HydrophobicContact CB-CG2 3.69Å
117M91.7Very high95.8Very high3 Ų313.8 Ų13.82%0.0159%0.087CC..Hα-helixtrans-61.2-45.7176.6-62.4161.464.500112.1V113 V114 W115 V119 G120 F159 M161 P180V113-M117 HydrophobicContact CG1-SD 3.94Å; V113-M117 VanDerWaalsContact O-CG 3.24Å; V113-M117 WeakPolarHBondContact O-CG 3.33Å; V113-M117 PolarHBondContact O-N 3.44Å; V114-M117 PolarHBondContact O-N 3.4Å; W115-M117 VanDerWaalsContact C-N 3.3Å; W115-M117 PolarHBondContact O-N 3.39Å; M117-V119 VanDerWaalsContact C-N 3.29Å; M117-V119 PolarHBondContact O-N 3.49Å; M117-G120 PolarHBondContact O-N 3.02Å; M117-F159 HydrophobicContact CE-CB 4.19Å; M117-M161 HydrophobicContact CE-CB 4.4Å; M117-M161 HydrophobicContact CE-CE 3.31Å; M117-M161 HydrophobicContact SD-CE 3.13Å; M117-M161 WeakPolarHBondContact SD-CE 3.41Å; M117-P180 HydrophobicContact CB-CB 4.24Å; M117-P180 HydrophobicContact CB-CG 4Å; M117-P180 HydrophobicContact CE-CB 4.4Å; M117-P180 HydrophobicContact CE-CG 3.41Å; M117-P180 VanDerWaalsContact CE-CG 3.41Å; M117-P180 HydrophobicContact CG-CB 3.65Å; M117-P180 HydrophobicContact CG-CG 3.63Å; M117-P180 HydrophobicContact SD-CG 4.19Å
118A91.1Very high95.8Very high4 Ų411.2 Ų11.23%0.0337%0.071CC..Hα-helixtrans-65.8-32.5-177.200000112.8W81 I82 V114 W115 G120 L152W81-A118 HydrophobicContact CB-CB 4.02Å; W81-A118 HydrophobicContact CD2-CB 4.37Å; W81-A118 HydrophobicContact CE3-CB 3.72Å; I82-A118 WeakPolarHBondContact CG1-O 3.49Å; V114-A118 VanDerWaalsContact O-CB 3.3Å; V114-A118 WeakPolarHBondContact O-CB 3.29Å; V114-A118 PolarHBondContact O-N 2.96Å; W115-A118 PolarHBondContact O-N 2.97Å; A118-G120 VanDerWaalsContact C-N 3.28Å; A118-L152 HydrophobicContact CB-CD1 4.49Å; A118-L152 HydrophobicContact CB-CD2 3.89Å
119V93.9Very high95.8Very high7 Ų713 Ų134%0.0428%0.078CC..Hα-helixtrans-76.9-16175176.70000111.8W81 G85 L91 W115 C116 M117 Y269 L276W81-V119 HydrophobicContact CB-CG2 4.21Å; G85-V119 VanDerWaalsContact CA-CG1 3.42Å; L91-V119 HydrophobicContact CD1-CG1 3.75Å; W115-V119 WeakPolarHBondContact O-CB 3.47Å; W115-V119 VanDerWaalsContact O-CG2 3.24Å; W115-V119 WeakPolarHBondContact O-CG2 3.2Å; W115-V119 PolarHBondContact O-N 3.44Å; C116-V119 PolarHBondContact O-N 3.4Å; M117-V119 VanDerWaalsContact C-N 3.29Å; M117-V119 PolarHBondContact O-N 3.49Å; V119-Y269 HydrophobicContact CG2-CE2 3.86Å; V119-Y269 WeakPolarHBondContact CG2-OH 3.49Å; V119-L276 HydrophobicContact CG1-CD1 3.91Å
120G91.8Very high95.7Very high45 Ų4517.4 Ų17.446%0.46410%0.099SC..THydrogen-bonded Turntrans107.115.3174.600000115.2L91 C116 M117 A118L91-G120 VanDerWaalsContact CD2-C 3.49Å; C116-G120 PolarHBondContact O-N 3.43Å; M117-G120 PolarHBondContact O-N 3.02Å; A118-G120 VanDerWaalsContact C-N 3.28Å
121V94.4Very high95.6Very high2 Ų217.6 Ų17.61%0.01210%0.101CC..  trans-71.8128.1173.7178.60000109.6L91 P92 I95 C116 Y123 V124L91-V121 HydrophobicContact CD1-CG2 4.19Å; L91-V121 HydrophobicContact CD2-CG2 4.17Å; L91-V121 HydrophobicContact CG-CG2 4.12Å; P92-V121 HydrophobicContact CG-CG2 4.45Å; I95-V121 HydrophobicContact CB-CG1 4.2Å; I95-V121 HydrophobicContact CG2-CG1 3.79Å; C116-V121 HydrophobicContact CB-CB 4.09Å; C116-V121 HydrophobicContact CB-CG2 4.28Å; C116-V121 VanDerWaalsContact O-CB 3.3Å; C116-V121 WeakPolarHBondContact O-CB 3.45Å; C116-V121 PolarHBondContact O-N 2.95Å; V121-Y123 VanDerWaalsContact CG1-O 3.31Å; V121-Y123 WeakPolarHBondContact CG1-O 3.25Å; V121-V124 HydrophobicContact CG1-CG2 4.37Å
122S92.6Very high95.6Very high55 Ų5518.9 Ų18.939%0.38511%0.107SC..SBendtrans-80.4-33-174.4-63.40000113.6V93 P180 I181V93-S122 PolarHBondContact O-N 2.95Å; S122-P180 CarbonylContact O-C 3.57Å; S122-P180 VanDerWaalsContact O-CA 3.23Å; S122-P180 WeakPolarHBondContact O-CA 3.46Å; S122-I181 PolarHBondContact O-N 3.32Å
123Y94.7Very high95.5Very high51 Ų5118.9 Ų18.920%0.211%0.107CC..EExtended strand (participates in β ladder)trans-131133.1-177.5-56.6-95.4000110.9V93 H94 I95 V121 I181 I230 P231V93-Y123 HydrophobicContact CG1-CD2 3.9Å; V93-Y123 HydrophobicContact CG1-CE2 4.01Å; V93-Y123 PolarHBondContact O-N 2.81Å; H94-Y123 WeakPolarHBondContact CA-O 3.31Å; H94-Y123 PolarHBondContact CD2-O 2.85Å; I95-Y123 PolarHBondContact N-O 3.33Å; V121-Y123 VanDerWaalsContact CG1-O 3.31Å; V121-Y123 WeakPolarHBondContact CG1-O 3.25Å; Y123-I181 CarbonylContact C-O 3.23Å; Y123-I181 WeakPolarHBondContact CA-O 3.5Å; Y123-I181 HydrophobicContact CD1-CB 3.73Å; Y123-I181 HydrophobicContact CD1-CD1 4.21Å; Y123-I181 HydrophobicContact CD1-CG1 4.42Å; Y123-I181 HydrophobicContact CD1-CG2 4.16Å; Y123-I181 HydrophobicContact CE1-CB 4.06Å; Y123-I181 HydrophobicContact CE1-CD1 3.6Å; Y123-I181 HydrophobicContact CE1-CG1 4.25Å; Y123-I230 HydrophobicContact CD1-CB 4.44Å; Y123-I230 HydrophobicContact CD1-CG1 4.31Å; Y123-I230 HydrophobicContact CD1-CG2 3.73Å; Y123-I230 HydrophobicContact CE1-CG1 4.27Å; Y123-I230 HydrophobicContact CE1-CG2 4.24Å; Y123-I230 HydrophobicContact CG-CG2 4.18Å; Y123-P231 HydrophobicContact CD2-CG 3.78Å; Y123-P231 HydrophobicContact CE2-CG 3.8Å; Y123-P231 HydrophobicContact CG-CG 4.44Å
124V96.9Very high95.4Very high1 Ų121.8 Ų21.81%0.00612%0.121CC..EExtended strand (participates in β ladder)trans-127.4115.4176.4-172.50000109.4I95 L97 V113 C116 V121 I181 V182 K183I95-V124 HydrophobicContact CG2-CB 4.19Å; I95-V124 HydrophobicContact CG2-CG1 3.94Å; I95-V124 HydrophobicContact CG2-CG2 3.9Å; I95-V124 CarbonylContact O-C 3.52Å; I95-V124 WeakPolarHBondContact O-CA 3.38Å; L97-V124 HydrophobicContact CD1-CG1 3.97Å; L97-V124 HydrophobicContact CG-CG1 4.18Å; V113-V124 HydrophobicContact CG2-CG1 3.94Å; C116-V124 HydrophobicContact CB-CG2 3.69Å; V121-V124 HydrophobicContact CG1-CG2 4.37Å; V124-I181 PolarHBondContact N-O 3.45Å; V124-V182 HydrophobicContact CB-CG2 4.41Å; V124-V182 CarbonylContact O-C 3.51Å; V124-V182 VanDerWaalsContact O-CA 3.28Å; V124-V182 WeakPolarHBondContact O-CA 3.5Å; V124-K183 PolarHBondContact O-N 3.47Å
125S97.1Very high95.5Very high2 Ų229.4 Ų29.41%0.01415%0.154CC..EExtended strand (participates in β ladder)trans-98.6123.3173-76.90000110.8H94 I95 G96 L97 K183H94-S125 PolarHBondContact CE1-OG 2.89Å; H94-S125 WeakPolarHBondContact NE2-CB 3.31Å; H94-S125 PolarHBondContact NE2-OG 2.92Å; I95-S125 PolarHBondContact O-N 3.36Å; G96-S125 CarbonylContact C-O 3.55Å; G96-S125 WeakPolarHBondContact CA-O 3.42Å; L97-S125 PolarHBondContact N-O 2.87Å; S125-K183 CarbonylContact C-O 3.54Å; S125-K183 VanDerWaalsContact CA-O 3.27Å; S125-K183 WeakPolarHBondContact CA-O 3.35Å
126V98.3Very high95.4Very high0 Ų031.6 Ų31.60%017%0.167CC..EExtended strand (participates in β ladder)trans-102.5130.2174.4179.70000109L97 I109 V113 F133 L140 K183 L185L97-V126 HydrophobicContact CD1-CG2 4.42Å; I109-V126 HydrophobicContact CG2-CG1 3.72Å; I109-V126 HydrophobicContact CG2-CG2 3.98Å; V113-V126 HydrophobicContact CG2-CG2 3.85Å; V126-F133 HydrophobicContact CG1-CB 4.39Å; V126-F133 HydrophobicContact CG1-CD1 4.5Å; V126-F133 HydrophobicContact CG1-CD2 3.64Å; V126-F133 HydrophobicContact CG1-CE2 3.97Å; V126-F133 HydrophobicContact CG1-CG 3.94Å; V126-L140 HydrophobicContact CG1-CD2 4.26Å; V126-K183 PolarHBondContact N-O 3.17Å; V126-L185 PolarHBondContact O-N 3.44Å
127Y98.4Very high95.2Very high2 Ų232.5 Ų32.51%0.00817%0.172CC..EExtended strand (participates in β ladder)trans-137.6137.5-177.1175.7-89.4000112.9L97 V98 V99 H129 L185 L246 F248L97-Y127 PolarHBondContact O-N 3.17Å; V98-Y127 HydrophobicContact CG1-CD1 4.03Å; V98-Y127 HydrophobicContact CG2-CD1 4.39Å; V99-Y127 PolarHBondContact N-O 3.07Å; Y127-H129 HydrophobicContact CE1-CB 4.23Å; Y127-L185 HydrophobicContact CD2-CB 3.81Å; Y127-L246 HydrophobicContact CE1-CB 4.41Å; Y127-L246 PolarHBondContact OH-O 3.43Å; Y127-F248 VanDerWaalsContact CB-CD2 3.48Å; Y127-F248 HydrophobicContact CD1-CB 4.15Å; Y127-F248 HydrophobicContact CD1-CD2 4.03Å; Y127-F248 AromaticContact CD2-CD2 3.78Å; Y127-F248 HydrophobicContact CD2-CD2 3.78Å; Y127-F248 HydrophobicContact CE1-CB 4.13Å; Y127-F248 HydrophobicContact CE2-CB 4.48Å; Y127-F248 HydrophobicContact CE2-CD2 4.48Å; Y127-F248 HydrophobicContact CG-CB 4.36Å; Y127-F248 AromaticContact CG-CD2 3.51Å; Y127-F248 HydrophobicContact CG-CD2 3.51Å; Y127-F248 HydrophobicContact CG-CE2 4.3Å; Y127-F248 HydrophobicContact CG-CG 4.4Å
128D97.7Very high95.3Very high2 Ų235.8 Ų35.81%0.01120%0.195CC..EExtended strand (participates in β ladder)trans-134.8146.6161.478.6-82.7000110.7L104 H130 G131 I132 F133L104-D128 HydrophobicContact CD1-CB 4.12Å; D128-H130 PolarHBondContact O-N 3.47Å; D128-H130 VanDerWaalsContact OD2-C 3.3Å; D128-H130 WeakPolarHBondContact OD2-CA 3.35Å; D128-H130 WeakPolarHBondContact OD2-CB 3.38Å; D128-H130 PolarHBondContact OD2-N 3.21Å; D128-G131 PolarHBondContact O-N 3.38Å; D128-G131 PolarHBondContact OD2-N 2.83Å; D128-I132 VanDerWaalsContact CG-N 3.25Å; D128-I132 PolarHBondContact OD1-N 3.34Å; D128-I132 PolarHBondContact OD2-N 3.38Å; D128-F133 HydrophobicContact CB-CD2 3.72Å; D128-F133 HydrophobicContact CB-CE2 3.94Å; D128-F133 VanDerWaalsContact OD1-CD2 3.27Å; D128-F133 WeakPolarHBondContact OD1-CD2 3.35Å; D128-F133 PolarHBondContact OD1-N 3.36Å
129H96.2Very high95.5Very high56 Ų5638.2 Ų38.226%0.25921%0.212SC..THydrogen-bonded Turntrans-73.8-8.9-174.273.5-74.2000114.6Y127 P187 L246Y127-H129 HydrophobicContact CE1-CB 4.23Å; H129-P187 WeakPolarHBondContact O-CG 3.38Å; H129-L246 HydrophobicContact CB-CB 3.78Å; H129-L246 HydrophobicContact CB-CD1 4.04Å; H129-L246 HydrophobicContact CB-CG 4.47Å
130H96.1Very high95.5Very high93 Ų9337.9 Ų37.943%0.43121%0.21SC..THydrogen-bonded Turntrans-98.3-4.3174.8-68.5-50.2000112.6D128 I132 K135D128-H130 PolarHBondContact O-N 3.47Å; D128-H130 VanDerWaalsContact OD2-C 3.3Å; D128-H130 WeakPolarHBondContact OD2-CA 3.35Å; D128-H130 WeakPolarHBondContact OD2-CB 3.38Å; D128-H130 PolarHBondContact OD2-N 3.21Å; H130-I132 HydrophobicContact CB-CD1 3.83Å; H130-I132 HydrophobicContact CB-CG1 3.73Å; H130-I132 PolarHBondContact O-N 2.98Å; H130-K135 PolarHBondContact O-NZ 3.45Å
131G95.9Very high95.5Very high4 Ų439.5 Ų39.54%0.04121%0.205CC..  trans62.127.1-174.900000113.3D128 Q134 K135D128-G131 PolarHBondContact O-N 3.38Å; D128-G131 PolarHBondContact OD2-N 2.83Å; G131-Q134 PolarHBondContact O-N 3.39Å; G131-K135 WeakPolarHBondContact O-CB 3.31Å; G131-K135 WeakPolarHBondContact O-CD 3.34Å; G131-K135 WeakPolarHBondContact O-CG 3.29Å; G131-K135 PolarHBondContact O-N 2.98Å
132I97.3Very high95.4Very high50 Ų5045.8 Ų45.826%0.25624%0.235SC..Hα-helixtrans-66.7-44.1-178.4-63169.5000110.6L104 F106 D128 H130 Q134 K135 N136L104-I132 HydrophobicContact CD1-CB 3.57Å; L104-I132 HydrophobicContact CD1-CD1 3.83Å; L104-I132 HydrophobicContact CD1-CG1 4.26Å; L104-I132 HydrophobicContact CD1-CG2 3.73Å; L104-I132 HydrophobicContact CG-CD1 4.49Å; F106-I132 HydrophobicContact CZ-CG2 4.39Å; D128-I132 VanDerWaalsContact CG-N 3.25Å; D128-I132 PolarHBondContact OD1-N 3.34Å; D128-I132 PolarHBondContact OD2-N 3.38Å; H130-I132 HydrophobicContact CB-CD1 3.83Å; H130-I132 HydrophobicContact CB-CG1 3.73Å; H130-I132 PolarHBondContact O-N 2.98Å; I132-Q134 VanDerWaalsContact C-N 3.31Å; I132-Q134 PolarHBondContact O-N 3.12Å; I132-K135 PolarHBondContact O-N 2.92Å; I132-N136 WeakPolarHBondContact O-CB 3.43Å; I132-N136 PolarHBondContact O-N 3.48Å; I132-N136 PolarHBondContact O-ND2 2.93Å
133F96.6Very high95.6Very high0 Ų044.4 Ų44.40%022%0.222CC..Hα-helixtrans-61.9-42.6175.6-68.3-57.2000110.9V99 L104 F106 I109 V126 D128 K135 N136 N137 L140 V184V99-F133 HydrophobicContact CB-CE2 4.1Å; V99-F133 HydrophobicContact CG2-CE2 3.77Å; V99-F133 HydrophobicContact CG2-CZ 4.2Å; L104-F133 HydrophobicContact CB-CE1 4.16Å; L104-F133 HydrophobicContact CB-CZ 3.88Å; L104-F133 HydrophobicContact CD1-CD2 4.2Å; L104-F133 HydrophobicContact CD1-CE1 4.18Å; L104-F133 HydrophobicContact CD1-CE2 3.83Å; L104-F133 HydrophobicContact CD1-CZ 3.8Å; L104-F133 HydrophobicContact CD2-CE2 4.15Å; L104-F133 HydrophobicContact CD2-CZ 4.08Å; L104-F133 HydrophobicContact CG-CE2 4.45Å; L104-F133 HydrophobicContact CG-CZ 4.15Å; F106-F133 HydrophobicContact CD1-CD1 4.26Å; F106-F133 HydrophobicContact CD1-CE1 4.41Å; F106-F133 HydrophobicContact CD2-CE1 4.37Å; F106-F133 AromaticContact CE1-CD1 3.92Å; F106-F133 HydrophobicContact CE1-CD1 3.92Å; F106-F133 HydrophobicContact CE1-CE1 4.38Å; F106-F133 HydrophobicContact CE2-CD1 4.46Å; F106-F133 HydrophobicContact CE2-CE1 4.32Å; F106-F133 HydrophobicContact CG-CE1 4.4Å; F106-F133 HydrophobicContact CZ-CD1 4.02Å; F106-F133 HydrophobicContact CZ-CE1 4.32Å; I109-F133 HydrophobicContact CB-CZ 4.49Å; I109-F133 HydrophobicContact CG1-CE1 4.26Å; I109-F133 HydrophobicContact CG1-CZ 3.77Å; V126-F133 HydrophobicContact CG1-CB 4.39Å; V126-F133 HydrophobicContact CG1-CD1 4.5Å; V126-F133 HydrophobicContact CG1-CD2 3.64Å; V126-F133 HydrophobicContact CG1-CE2 3.97Å; V126-F133 HydrophobicContact CG1-CG 3.94Å; D128-F133 HydrophobicContact CB-CD2 3.72Å; D128-F133 HydrophobicContact CB-CE2 3.94Å; D128-F133 VanDerWaalsContact OD1-CD2 3.27Å; D128-F133 WeakPolarHBondContact OD1-CD2 3.35Å; D128-F133 PolarHBondContact OD1-N 3.36Å; F133-K135 PolarHBondContact O-N 2.98Å; F133-N136 CarbonylContact O-C 3.58Å; F133-N136 VanDerWaalsContact O-C 3.23Å; F133-N136 PolarHBondContact O-N 3.4Å; F133-N137 WeakPolarHBondContact O-CA 3.43Å; F133-N137 PolarHBondContact O-N 3Å; F133-L140 HydrophobicContact CB-CD2 4.14Å; F133-L140 HydrophobicContact CD1-CD1 4.46Å; F133-L140 HydrophobicContact CD1-CD2 4.02Å; F133-L140 HydrophobicContact CG-CD2 4.3Å; F133-V184 VanDerWaalsContact C-CG1 3.49Å; F133-V184 HydrophobicContact CB-CG1 3.59Å
134Q94.9Very high95.6Very high61 Ų6142 Ų4229%0.28521%0.213SC..Hα-helixtrans-64.4-40.2179.2-170-179.260.900112G131 I132 N136 N137 N166 V184 S186 D189G131-Q134 PolarHBondContact O-N 3.39Å; I132-Q134 VanDerWaalsContact C-N 3.31Å; I132-Q134 PolarHBondContact O-N 3.12Å; Q134-N136 VanDerWaalsContact C-N 3.32Å; Q134-N137 WeakPolarHBondContact O-CB 3.43Å; Q134-N166 PolarHBondContact NE2-ND2 2.99Å; Q134-V184 HydrophobicContact CB-CG1 4.08Å; Q134-S186 PolarHBondContact NE2-OG 3.42Å; Q134-S186 PolarHBondContact OE1-OG 3.24Å; Q134-D189 PolarHBondContact NE2-OD2 3.32Å
135K96.2Very high95.3Very high160 Ų16044.9 Ų44.970%0.69623%0.23SC*.Hα-helixtrans-67.7-31.5175.6-72.5164.1-173.7160.40112.9H130 G131 I132 F133H130-K135 PolarHBondContact O-NZ 3.45Å; G131-K135 WeakPolarHBondContact O-CB 3.31Å; G131-K135 WeakPolarHBondContact O-CD 3.34Å; G131-K135 WeakPolarHBondContact O-CG 3.29Å; G131-K135 PolarHBondContact O-N 2.98Å; I132-K135 PolarHBondContact O-N 2.92Å; F133-K135 PolarHBondContact O-N 2.98Å
136N95.7Very high95Very high66 Ų6650.4 Ų50.435%0.35325%0.254SS..THydrogen-bonded Turntrans-108.837-179-60.1-81.3000111.7F106 I132 F133 Q134 S138 S139 L140F106-N136 HydrophobicContact CE1-CB 3.8Å; F106-N136 HydrophobicContact CZ-CB 3.77Å; I132-N136 WeakPolarHBondContact O-CB 3.43Å; I132-N136 PolarHBondContact O-N 3.48Å; I132-N136 PolarHBondContact O-ND2 2.93Å; F133-N136 CarbonylContact O-C 3.58Å; F133-N136 VanDerWaalsContact O-C 3.23Å; F133-N136 PolarHBondContact O-N 3.4Å; Q134-N136 VanDerWaalsContact C-N 3.32Å; N136-S138 VanDerWaalsContact C-N 3.31Å; N136-S138 PolarHBondContact O-N 3.38Å; N136-S139 PolarHBondContact O-N 3.1Å; N136-S139 VanDerWaalsContact O-N 3.15Å; N136-L140 PolarHBondContact O-N 2.89Å; N136-L140 VanDerWaalsContact O-N 3.07Å
137N92.6Very high94.7Very high19 Ų1951 Ų5110%0.10226%0.257CS..Hα-helixtrans-60.6-38.6-171.7-166.23.7000112.6F133 Q134 S139 L140 Q141 L163F133-N137 WeakPolarHBondContact O-CA 3.43Å; F133-N137 PolarHBondContact O-N 3Å; Q134-N137 WeakPolarHBondContact O-CB 3.43Å; N137-S139 PolarHBondContact O-N 3.01Å; N137-L140 PolarHBondContact O-N 3.02Å; N137-Q141 WeakPolarHBondContact O-CB 3.41Å; N137-Q141 PolarHBondContact O-N 3.02Å; N137-L163 WeakPolarHBondContact OD1-CD2 3.41Å
138S92.3Very high94.2Very high72 Ų7252.6 Ų52.650%0.50326%0.264SS..Hα-helixtrans-61-44.6175.953.30000112.2N136 L140 Q141 E142N136-S138 VanDerWaalsContact C-N 3.31Å; N136-S138 PolarHBondContact O-N 3.38Å; S138-L140 PolarHBondContact O-N 3.07Å; S138-Q141 WeakPolarHBondContact O-CB 3.41Å; S138-Q141 PolarHBondContact O-N 3.41Å; S138-E142 WeakPolarHBondContact O-CB 3.4Å; S138-E142 WeakPolarHBondContact O-CG 3.25Å; S138-E142 PolarHBondContact O-N 3.34Å
139S95.1Very high93.7Very high54 Ų5456.4 Ų56.438%0.37828%0.282SS..Hα-helixtrans-65.5-38.3178.4-55.20000112.2N136 N137 E143N136-S139 PolarHBondContact O-N 3.1Å; N136-S139 VanDerWaalsContact O-N 3.15Å; N137-S139 PolarHBondContact O-N 3.01Å; S139-E143 WeakPolarHBondContact O-CB 3.28Å; S139-E143 PolarHBondContact O-N 2.83Å
140L95.6Very high93.4Very high0 Ų059.2 Ų59.20%030%0.295CS..Hα-helixtrans-66.3-42.2174-17860.3000111.5F106 I109 V126 F133 N136 N137 S138 E143 I144 V184F106-L140 HydrophobicContact CD1-CB 3.82Å; F106-L140 HydrophobicContact CD1-CD1 4.01Å; F106-L140 HydrophobicContact CD1-CG 4.5Å; F106-L140 HydrophobicContact CE1-CB 4.02Å; I109-L140 HydrophobicContact CG2-CD1 4.23Å; V126-L140 HydrophobicContact CG1-CD2 4.26Å; F133-L140 HydrophobicContact CB-CD2 4.14Å; F133-L140 HydrophobicContact CD1-CD1 4.46Å; F133-L140 HydrophobicContact CD1-CD2 4.02Å; F133-L140 HydrophobicContact CG-CD2 4.3Å; N136-L140 PolarHBondContact O-N 2.89Å; N136-L140 VanDerWaalsContact O-N 3.07Å; N137-L140 PolarHBondContact O-N 3.02Å; S138-L140 PolarHBondContact O-N 3.07Å; L140-E143 PolarHBondContact O-N 3.36Å; L140-I144 HydrophobicContact CD1-CD1 4.17Å; L140-I144 HydrophobicContact CD1-CG1 4.33Å; L140-I144 HydrophobicContact CG-CD1 3.87Å; L140-I144 HydrophobicContact CG-CG1 4.47Å; L140-I144 WeakPolarHBondContact O-CB 3.44Å; L140-I144 VanDerWaalsContact O-CG1 3.23Å; L140-I144 WeakPolarHBondContact O-CG1 3.28Å; L140-I144 PolarHBondContact O-N 2.94Å; L140-V184 HydrophobicContact CD2-CG2 3.91Å
141Q91.4Very high92.9Very high80 Ų8055.3 Ų55.337%0.37428%0.277SS..Hα-helixtrans-61.5-47.5177.1-174.3174.42.200112N137 S138 E143 I144 V145 L163N137-Q141 WeakPolarHBondContact O-CB 3.41Å; N137-Q141 PolarHBondContact O-N 3.02Å; S138-Q141 WeakPolarHBondContact O-CB 3.41Å; S138-Q141 PolarHBondContact O-N 3.41Å; Q141-E143 VanDerWaalsContact C-N 3.32Å; Q141-E143 PolarHBondContact O-N 3.11Å; Q141-I144 PolarHBondContact O-N 2.89Å; Q141-V145 WeakPolarHBondContact O-CG2 3.46Å; Q141-V145 PolarHBondContact O-N 2.89Å; Q141-L163 HydrophobicContact CB-CD2 3.59Å; Q141-L163 VanDerWaalsContact CD-CD2 3.46Å; Q141-L163 HydrophobicContact CG-CD2 3.62Å
142E92.8Very high92.2Very high134 Ų13455.7 Ų55.763%0.62628%0.278SS*.Hα-helixtrans-59.4-43.6176.6-74.3168.1-164.500111.4S138 V145 K146S138-E142 WeakPolarHBondContact O-CB 3.4Å; S138-E142 WeakPolarHBondContact O-CG 3.25Å; S138-E142 PolarHBondContact O-N 3.34Å; E142-V145 PolarHBondContact O-N 3.29Å; E142-K146 VanDerWaalsContact O-CB 3.3Å; E142-K146 WeakPolarHBondContact O-CB 3.42Å; E142-K146 PolarHBondContact O-N 2.7Å
143E95.6Very high91.1Very high26 Ų2654.6 Ų54.612%0.12128%0.279CS..Hα-helixtrans-68.2-38.1178.2-169.962.7-15900111.7F106 T107 A110 S139 L140 Q141 K146 Q147F106-E143 HydrophobicContact CB-CG 4.42Å; T107-E143 WeakPolarHBondContact CB-OE1 3.26Å; T107-E143 WeakPolarHBondContact CG2-OE1 3.16Å; T107-E143 PolarHBondContact OG1-OE1 3.09Å; A110-E143 HydrophobicContact CB-CB 4.29Å; A110-E143 HydrophobicContact CB-CG 3.82Å; S139-E143 WeakPolarHBondContact O-CB 3.28Å; S139-E143 PolarHBondContact O-N 2.83Å; L140-E143 PolarHBondContact O-N 3.36Å; Q141-E143 VanDerWaalsContact C-N 3.32Å; Q141-E143 PolarHBondContact O-N 3.11Å; E143-K146 PolarHBondContact O-N 2.85Å; E143-K146 IonicContact OE1-NZ 3.02Å; E143-K146 WeakPolarHBondContact OE2-CD 3.41Å; E143-K146 IonicContact OE2-NZ 3Å; E143-K146 PolarHBondContact OE2-NZ 2.84Å; E143-Q147 VanDerWaalsContact O-CG 3.31Å; E143-Q147 WeakPolarHBondContact O-CG 3.39Å; E143-Q147 PolarHBondContact O-N 3.43Å; E143-Q147 PolarHBondContact OE1-NE2 3.15Å
144I93.9Very high89.2Confident0 Ų057.3 Ų57.30%031%0.307CS..Hα-helixtrans-60.3-48.6173.2-72.8164.8000111.1A110 V113 V114 L140 Q141 K146 Q147 Q148 M161 V182A110-I144 HydrophobicContact CB-CB 4.44Å; A110-I144 HydrophobicContact CB-CG1 3.81Å; V113-I144 HydrophobicContact CB-CD1 4.48Å; V113-I144 HydrophobicContact CB-CG1 4.44Å; V113-I144 HydrophobicContact CG1-CD1 4.17Å; V113-I144 HydrophobicContact CG1-CG1 4.36Å; V113-I144 HydrophobicContact CG1-CG2 4.24Å; V113-I144 HydrophobicContact CG2-CD1 4.36Å; V114-I144 HydrophobicContact CG2-CG2 4.49Å; L140-I144 HydrophobicContact CD1-CD1 4.17Å; L140-I144 HydrophobicContact CD1-CG1 4.33Å; L140-I144 HydrophobicContact CG-CD1 3.87Å; L140-I144 HydrophobicContact CG-CG1 4.47Å; L140-I144 WeakPolarHBondContact O-CB 3.44Å; L140-I144 VanDerWaalsContact O-CG1 3.23Å; L140-I144 WeakPolarHBondContact O-CG1 3.28Å; L140-I144 PolarHBondContact O-N 2.94Å; Q141-I144 PolarHBondContact O-N 2.89Å; I144-K146 VanDerWaalsContact C-N 3.33Å; I144-K146 PolarHBondContact O-N 2.73Å; I144-Q147 PolarHBondContact O-N 2.83Å; I144-Q148 WeakPolarHBondContact O-CB 3.48Å; I144-Q148 PolarHBondContact O-N 2.78Å; I144-M161 HydrophobicContact CG2-CE 3.29Å; I144-M161 HydrophobicContact CG2-SD 3.72Å; I144-V182 HydrophobicContact CD1-CG1 4.36Å
145V90.8Very high87.3Confident62 Ų6260.4 Ų60.438%0.37633%0.326SS..Hα-helixtrans-60.9-45.2178.4170.80000110.4Q141 E142 Q147 Q148 H149Q141-V145 WeakPolarHBondContact O-CG2 3.46Å; Q141-V145 PolarHBondContact O-N 2.89Å; E142-V145 PolarHBondContact O-N 3.29Å; V145-Q147 PolarHBondContact O-N 3.25Å; V145-Q148 WeakPolarHBondContact O-CB 3.41Å; V145-Q148 PolarHBondContact O-N 3.34Å; V145-H149 PolarHBondContact O-CD2 3.36Å; V145-H149 PolarHBondContact O-N 2.89Å; V145-H149 VanDerWaalsContact O-N 3.08Å
146K92.1Very high85Confident117 Ų11759 Ų5951%0.50933%0.326SS..Hα-helixtrans-58.8-46.1176176.8-175.1162.5-156.40112.2E142 E143 I144 Q148 H149 H150E142-K146 VanDerWaalsContact O-CB 3.3Å; E142-K146 WeakPolarHBondContact O-CB 3.42Å; E142-K146 PolarHBondContact O-N 2.7Å; E143-K146 PolarHBondContact O-N 2.85Å; E143-K146 IonicContact OE1-NZ 3.02Å; E143-K146 WeakPolarHBondContact OE2-CD 3.41Å; E143-K146 IonicContact OE2-NZ 3Å; E143-K146 PolarHBondContact OE2-NZ 2.84Å; I144-K146 VanDerWaalsContact C-N 3.33Å; I144-K146 PolarHBondContact O-N 2.73Å; K146-Q148 VanDerWaalsContact C-N 3.34Å; K146-H149 PolarHBondContact O-N 3.38Å; K146-H150 WeakPolarHBondContact O-CB 3Å; K146-H150 PolarHBondContact O-N 3.19Å
147Q91.8Very high82.6Confident14 Ų1460.3 Ų60.37%0.06534%0.34CS..Hα-helixtrans-69.4-33177.9-65.6-50.3-30.900112.2A110 N111 V114 E143 I144 V145 H150 L151A110-Q147 HydrophobicContact CB-CB 4.25Å; A110-Q147 HydrophobicContact CB-CG 3.8Å; N111-Q147 VanDerWaalsContact OD1-CD 3.22Å; N111-Q147 WeakPolarHBondContact OD1-CG 3.25Å; N111-Q147 PolarHBondContact OD1-OE1 2.84Å; N111-Q147 VanDerWaalsContact OD1-OE1 3.04Å; V114-Q147 HydrophobicContact CG2-CB 4.17Å; E143-Q147 VanDerWaalsContact O-CG 3.31Å; E143-Q147 WeakPolarHBondContact O-CG 3.39Å; E143-Q147 PolarHBondContact O-N 3.43Å; E143-Q147 PolarHBondContact OE1-NE2 3.15Å; I144-Q147 PolarHBondContact O-N 2.83Å; V145-Q147 PolarHBondContact O-N 3.25Å; Q147-H150 PolarHBondContact O-N 3.36Å; Q147-H150 PolarHBondContact OE1-ND1 2.71Å; Q147-L151 HydrophobicContact CB-CD1 4.31Å; Q147-L151 WeakPolarHBondContact O-CB 3.42Å; Q147-L151 VanDerWaalsContact O-CG 3.24Å; Q147-L151 WeakPolarHBondContact O-CG 3.31Å; Q147-L151 PolarHBondContact O-N 3Å
148Q88.5Confident80.5Confident34 Ų3462.7 Ų62.716%0.15936%0.355CS..Hα-helixtrans-58.3-50173.2178.7172.3-21.800110.9V114 I144 V145 K146 L152 F159V114-Q148 HydrophobicContact CG2-CB 4.09Å; I144-Q148 WeakPolarHBondContact O-CB 3.48Å; I144-Q148 PolarHBondContact O-N 2.78Å; V145-Q148 WeakPolarHBondContact O-CB 3.41Å; V145-Q148 PolarHBondContact O-N 3.34Å; K146-Q148 VanDerWaalsContact C-N 3.34Å; Q148-L152 HydrophobicContact CG-CD1 4.27Å; Q148-L152 WeakPolarHBondContact O-CB 3.37Å; Q148-L152 PolarHBondContact O-N 3.2Å; Q148-F159 PolarHBondContact NE2-O 2.71Å
149H86.6Confident78.5Confident83 Ų8361.3 Ų61.338%0.38434%0.34SS..Hα-helixtrans-61.6-45.2175.7-70.7-70.9000112.5V145 K146 G153 D156V145-H149 PolarHBondContact O-CD2 3.36Å; V145-H149 PolarHBondContact O-N 2.89Å; V145-H149 VanDerWaalsContact O-N 3.08Å; K146-H149 PolarHBondContact O-N 3.38Å; H149-G153 CarbonylContact O-C 3.59Å; H149-G153 VanDerWaalsContact O-CA 3.28Å; H149-G153 WeakPolarHBondContact O-CA 3.27Å; H149-G153 PolarHBondContact O-N 2.93Å; H149-D156 IonicContact CE1-OD1 3.29Å; H149-D156 PolarHBondContact CE1-OD1 2.67Å; H149-D156 VanDerWaalsContact CE1-OD1 3.29Å
150H89Confident76.6Confident114 Ų11462.3 Ų62.353%0.52834%0.341SS..Hα-helixtrans-68.2-35.3-177.2174.2-111.1000113.7R77 K146 Q147R77-H150 PolarHBondContact NH2-O 2.97Å; R77-H150 VanDerWaalsContact NH2-O 3.1Å; K146-H150 WeakPolarHBondContact O-CB 3Å; K146-H150 PolarHBondContact O-N 3.19Å; Q147-H150 PolarHBondContact O-N 3.36Å; Q147-H150 PolarHBondContact OE1-ND1 2.71Å
151L86Confident74.8Confident12 Ų1264.2 Ų64.26%0.06335%0.351CS..Hα-helixtrans-91.6-37.9-175.8-66.2178.1000113.1W81 N111 V114 Q147W81-L151 HydrophobicContact CH2-CB 3.89Å; W81-L151 HydrophobicContact CH2-CD2 4.24Å; W81-L151 HydrophobicContact CH2-CG 4.46Å; W81-L151 HydrophobicContact CZ3-CB 4.01Å; N111-L151 HydrophobicContact CB-CD1 4.38Å; V114-L151 HydrophobicContact CB-CD1 4.13Å; V114-L151 HydrophobicContact CG1-CB 4.11Å; V114-L151 HydrophobicContact CG1-CD1 3.88Å; Q147-L151 HydrophobicContact CB-CD1 4.31Å; Q147-L151 WeakPolarHBondContact O-CB 3.42Å; Q147-L151 VanDerWaalsContact O-CG 3.24Å; Q147-L151 WeakPolarHBondContact O-CG 3.31Å; Q147-L151 PolarHBondContact O-N 3Å
152L80.9Confident73.6Confident11 Ų1164.4 Ų64.46%0.05835%0.351CS..Hα-helixtrans-106.1-11.1-173.5-60.1176.3000114.2R78 W81 V114 A118 Q148 F159R78-L152 HydrophobicContact CB-CD2 4.05Å; R78-L152 HydrophobicContact CG-CD2 4.05Å; W81-L152 HydrophobicContact CE3-CD2 3.62Å; W81-L152 HydrophobicContact CZ3-CD2 3.51Å; W81-L152 HydrophobicContact CZ3-CG 4.37Å; V114-L152 HydrophobicContact CG1-CD1 3.84Å; V114-L152 HydrophobicContact CG1-CG 3.99Å; A118-L152 HydrophobicContact CB-CD1 4.49Å; A118-L152 HydrophobicContact CB-CD2 3.89Å; Q148-L152 HydrophobicContact CG-CD1 4.27Å; Q148-L152 WeakPolarHBondContact O-CB 3.37Å; Q148-L152 PolarHBondContact O-N 3.2Å; L152-F159 HydrophobicContact CD1-CD2 4.33Å; L152-F159 HydrophobicContact CD1-CE2 4.44Å
153G75.5Confident72.2Confident27 Ų2759.1 Ų59.128%0.27833%0.328SS..  trans89.7166.8-176.600000113.6H149 D155H149-G153 CarbonylContact O-C 3.59Å; H149-G153 VanDerWaalsContact O-CA 3.28Å; H149-G153 WeakPolarHBondContact O-CA 3.27Å; H149-G153 PolarHBondContact O-N 2.93Å; G153-D155 VanDerWaalsContact C-N 3.35Å; G153-D155 PolarHBondContact O-N 3Å
154G56.5Low70.8Confident57 Ų5758.3 Ų58.359%0.58832%0.324SS*.SBendtrans-83.319.3-169.400000117.4D156G154-D156 PolarHBondContact O-N 2.8Å; G154-D156 VanDerWaalsContact O-N 3.08Å
155D53.6Low69.2Low127 Ų12764.7 Ų64.768%0.67935%0.352SS*.  trans-80.492.4174-78.6-21.5000109.9G153 S157G153-D155 VanDerWaalsContact C-N 3.35Å; G153-D155 PolarHBondContact O-N 3Å; D155-S157 PolarHBondContact O-N 3.39Å
156D48.3Very low67.4Low131 Ų13164.3 Ų64.370%0.70135%0.347SS*.THydrogen-bonded Turntrans-52-6.7-180-76.9-22.6000115.7H149 G154H149-D156 IonicContact CE1-OD1 3.29Å; H149-D156 PolarHBondContact CE1-OD1 2.67Å; H149-D156 VanDerWaalsContact CE1-OD1 3.29Å; G154-D156 PolarHBondContact O-N 2.8Å; G154-D156 VanDerWaalsContact O-N 3.08Å
157S46.4Very low65.2Low92 Ų9261.1 Ų61.164%0.64335%0.348SS*.THydrogen-bonded Turntrans-94.5-17-165.962.60000115.9D155D155-S157 PolarHBondContact O-N 3.39Å
158T47.7Very low62.9Low69 Ų6967.3 Ų67.342%0.42339%0.387SS..SBendtrans-106.4-18.2-163.627.10000118.1R78R78-T158 PolarHBondContact NH1-OG1 3.07Å; R78-T158 VanDerWaalsContact NH2-CB 3.26Å; R78-T158 PolarHBondContact NH2-OG1 3.26Å
159F51.2Low60.7Low43 Ų4371.5 Ų71.519%0.18941%0.41CS..  trans-136.880.5175.2-67.6-82.3000110.7M117 Q148 L152 M161 P180M117-F159 HydrophobicContact CE-CB 4.19Å; Q148-F159 PolarHBondContact NE2-O 2.71Å; L152-F159 HydrophobicContact CD1-CD2 4.33Å; L152-F159 HydrophobicContact CD1-CE2 4.44Å; F159-M161 PolarHBondContact O-N 3.25Å; F159-M161 VanDerWaalsContact O-N 3.08Å; F159-P180 HydrophobicContact CD1-CG 4.16Å
160N53.8Low58.5Low75 Ų7576.3 Ų76.340%0.40143%0.43SS..  trans-68.2103.3165.4-75.2-73.4000107.7R179N160-R179 VanDerWaalsContact CB-CD 3.43Å; N160-R179 HydrophobicContact CB-CG 3.84Å; N160-R179 PolarHBondContact ND2-NH2 3.49Å; N160-R179 WeakPolarHBondContact O-CB 3.48Å; N160-R179 WeakPolarHBondContact O-CD 3.36Å; N160-R179 WeakPolarHBondContact O-CG 3.3Å
161M57.3Low55.9Low41 Ų4177 Ų7720%0.20245%0.445CS..  trans-76.9139.3175.1175.3-178.3-62.800110.2V113 M117 I144 F159 V182V113-M161 HydrophobicContact CG1-CE 4.15Å; M117-M161 HydrophobicContact CE-CB 4.4Å; M117-M161 HydrophobicContact CE-CE 3.31Å; M117-M161 HydrophobicContact SD-CE 3.13Å; M117-M161 WeakPolarHBondContact SD-CE 3.41Å; I144-M161 HydrophobicContact CG2-CE 3.29Å; I144-M161 HydrophobicContact CG2-SD 3.72Å; F159-M161 PolarHBondContact O-N 3.25Å; F159-M161 VanDerWaalsContact O-N 3.08Å; M161-V182 HydrophobicContact CE-CG2 3.65Å; M161-V182 HydrophobicContact CG-CG2 4.04Å; M161-V182 HydrophobicContact SD-CB 4.04Å; M161-V182 HydrophobicContact SD-CG2 3.51Å; M161-V182 VanDerWaalsContact SD-CG2 3.51Å
162E66.8Low53.4Low83 Ų8385.2 Ų85.239%0.38848%0.483SS..EExtended strand (participates in β ladder)trans-108.3111.4165.9-165179.6-15500110P180 I181 V182 K228E162-P180 PolarHBondContact N-O 3Å; E162-I181 HydrophobicContact CB-CG1 4.32Å; E162-I181 WeakPolarHBondContact O-CA 3.49Å; E162-V182 PolarHBondContact O-N 3.45Å; E162-V182 VanDerWaalsContact O-N 3.1Å; E162-K228 IonicContact OE1-NZ 3.09Å; E162-K228 PolarHBondContact OE1-NZ 2.59Å; E162-K228 IonicContact OE2-NZ 3.62Å; E162-K228 PolarHBondContact OE2-NZ 3.34Å
163L64.7Low51Low24 Ų2493.4 Ų93.413%0.12652%0.52CS..EExtended strand (participates in β ladder)trans-92.7121.4177.4-172.874.2000109.6N137 Q141 V182 V184N137-L163 WeakPolarHBondContact OD1-CD2 3.41Å; Q141-L163 HydrophobicContact CB-CD2 3.59Å; Q141-L163 VanDerWaalsContact CD-CD2 3.46Å; Q141-L163 HydrophobicContact CG-CD2 3.62Å; L163-V182 WeakPolarHBondContact CA-O 3.36Å; L163-V182 HydrophobicContact CD1-CB 3.59Å; L163-V182 HydrophobicContact CD1-CG1 3.59Å; L163-V182 WeakPolarHBondContact CD1-O 3.35Å; L163-V184 HydrophobicContact CD1-CG2 4.19Å
164L65.6Low48.9Very low9 Ų9102 Ų1025%0.04755%0.551CS.*EExtended strand (participates in β ladder)trans-88.9130.3-178.7-84.1173.3000112.5I181 V182 K183 K228 I230L164-I181 HydrophobicContact CD1-CG2 3.62Å; L164-I181 HydrophobicContact CG-CG2 4.08Å; L164-V182 PolarHBondContact N-O 3.44Å; L164-K183 HydrophobicContact CB-CG 4.37Å; L164-K228 HydrophobicContact CD1-CB 4.27Å; L164-K228 HydrophobicContact CD1-CD 3.94Å; L164-K228 HydrophobicContact CD1-CG 4.31Å; L164-K228 HydrophobicContact CD2-CD 3.58Å; L164-K228 HydrophobicContact CD2-CG 4.13Å; L164-K228 HydrophobicContact CG-CD 4.17Å; L164-I230 HydrophobicContact CD1-CD1 3.49Å; L164-I230 VanDerWaalsContact CD1-CD1 3.49Å; L164-I230 HydrophobicContact CD1-CG1 4.28Å
165K60.4Low47.5Very low134 Ų134104.8 Ų104.858%0.58356%0.556SS**PPolyproline II helixtrans-97.9140.8167.6-67.8-176.4-179.3177.70110.3G167K165-G167 VanDerWaalsContact C-N 3.29Å; K165-G167 PolarHBondContact O-N 3.25Å
166N52.1Low46.4Very low53 Ų53105.1 Ų105.128%0.28356%0.562SS.*SBendtrans-79.679.8175.6-59.8-12.6000109.3Q134 K183 V184 D189Q134-N166 PolarHBondContact NE2-ND2 2.99Å; N166-K183 WeakPolarHBondContact OD1-CE 3.41Å; N166-V184 PolarHBondContact ND2-O 3.13Å; N166-D189 PolarHBondContact ND2-OD1 2.93Å; N166-D189 PolarHBondContact ND2-OD2 2.96Å
167G46.7Very low45.9Very low50 Ų50101.5 Ų101.552%0.51555%0.547SS..SBendtrans150.7111.2175.600000113.4K165K165-G167 VanDerWaalsContact C-N 3.29Å; K165-G167 PolarHBondContact O-N 3.25Å
168T44.1Very low46.1Very low145 Ų145103.1 Ų103.189%0.8956%0.557SS**  trans52.887.9166.7540000116.4
169D42.4Very low47.2Very low121 Ų121105.2 Ų105.265%0.64756%0.557SS**  trans-125.6138.4153.7-103-30.6000111
170K39.8Very low48.6Very low184 Ų184103.4 Ų103.480%0.855%0.55SS*.  trans-67.2149.4-177.7-68.8-179.7-179.9178.10110.3Q172K170-Q172 PolarHBondContact O-N 3.3Å
171P34.6Very low50.4Low130 Ų130100.9 Ų100.984%0.84454%0.536SS*.  trans-68.3108.4178.228.4-31.9000109.1
172Q33.7Very low52Low184 Ų18498.9 Ų98.986%0.8653%0.526SS*.  trans-98.3131.3164.4-77.4-176.3-6.100109.1K170K170-Q172 PolarHBondContact O-N 3.3Å
173H29.4Very low53.3Low182 Ų18296 Ų9684%0.84351%0.512SS*.  trans-30140.2-177.6-85.4-110000116.8V175H173-V175 PolarHBondContact O-N 3.07Å
174F32.5Very low54.8Low209 Ų20995 Ų9592%0.91751%0.507SS*.  trans-55.397.7165.3-84.1-95.1000111
175V26.7Very low56.2Low114 Ų11494.6 Ų94.669%0.69151%0.505SS*.  trans-115.4112.3153.7179.40000104.4H173 S177H173-V175 PolarHBondContact O-N 3.07Å; V175-S177 PolarHBondContact O-N 3.47Å
176V31.3Very low57.9Low135 Ų13588.5 Ų88.582%0.81848%0.479SS*.  trans-68.680.6169.7179.10000106.8
177S37.6Very low60Low54 Ų5488.3 Ų88.338%0.37848%0.481SS..  trans-87.8131.5161.871.30000107V175 R179V175-S177 PolarHBondContact O-N 3.47Å; S177-R179 PolarHBondContact O-N 3.24Å; S177-R179 WeakPolarHBondContact OG-CD 3.36Å; S177-R179 WeakPolarHBondContact OG-CG 3.35Å; S177-R179 PolarHBondContact OG-NE 3.33Å
178C50.3Low62.2Low126 Ų12691 Ų9185%0.85148%0.48SS*.  trans-69.849.9176-53.50000111.2
179R71.2Confident64.6Low113 Ų11385.1 Ų85.143%0.42644%0.443SS..  trans-90117.6-177.4-75.1-175.7-169.3-158.7-6.1107.4N160 S177 I181N160-R179 VanDerWaalsContact CB-CD 3.43Å; N160-R179 HydrophobicContact CB-CG 3.84Å; N160-R179 PolarHBondContact ND2-NH2 3.49Å; N160-R179 WeakPolarHBondContact O-CB 3.48Å; N160-R179 WeakPolarHBondContact O-CD 3.36Å; N160-R179 WeakPolarHBondContact O-CG 3.3Å; S177-R179 PolarHBondContact O-N 3.24Å; S177-R179 WeakPolarHBondContact OG-CD 3.36Å; S177-R179 WeakPolarHBondContact OG-CG 3.35Å; S177-R179 PolarHBondContact OG-NE 3.33Å; R179-I181 PolarHBondContact O-N 3.47Å
180P80.7Confident67Low6 Ų679.5 Ų79.54%0.03941%0.414CS..  trans-63.7137.6174.527.5-34.7000109.7M117 S122 F159 E162M117-P180 HydrophobicContact CB-CB 4.24Å; M117-P180 HydrophobicContact CB-CG 4Å; M117-P180 HydrophobicContact CE-CB 4.4Å; M117-P180 HydrophobicContact CE-CG 3.41Å; M117-P180 VanDerWaalsContact CE-CG 3.41Å; M117-P180 HydrophobicContact CG-CB 3.65Å; M117-P180 HydrophobicContact CG-CG 3.63Å; M117-P180 HydrophobicContact SD-CG 4.19Å; S122-P180 CarbonylContact O-C 3.57Å; S122-P180 VanDerWaalsContact O-CA 3.23Å; S122-P180 WeakPolarHBondContact O-CA 3.46Å; F159-P180 HydrophobicContact CD1-CG 4.16Å; E162-P180 PolarHBondContact N-O 3Å
181I89.7Confident69.7Low21 Ų2177.9 Ų77.911%0.10841%0.407CS..EExtended strand (participates in β ladder)trans-105.6127.9-177.8-66.3173.6000108.4S122 Y123 V124 E162 L164 R179S122-I181 PolarHBondContact O-N 3.32Å; Y123-I181 CarbonylContact C-O 3.23Å; Y123-I181 WeakPolarHBondContact CA-O 3.5Å; Y123-I181 HydrophobicContact CD1-CB 3.73Å; Y123-I181 HydrophobicContact CD1-CD1 4.21Å; Y123-I181 HydrophobicContact CD1-CG1 4.42Å; Y123-I181 HydrophobicContact CD1-CG2 4.16Å; Y123-I181 HydrophobicContact CE1-CB 4.06Å; Y123-I181 HydrophobicContact CE1-CD1 3.6Å; Y123-I181 HydrophobicContact CE1-CG1 4.25Å; V124-I181 PolarHBondContact N-O 3.45Å; E162-I181 HydrophobicContact CB-CG1 4.32Å; E162-I181 WeakPolarHBondContact O-CA 3.49Å; L164-I181 HydrophobicContact CD1-CG2 3.62Å; L164-I181 HydrophobicContact CG-CG2 4.08Å; R179-I181 PolarHBondContact O-N 3.47Å
182V92.1Very high72.6Confident0 Ų075.2 Ų75.20%038%0.383CS..EExtended strand (participates in β ladder)trans-107.3131.2175.1-177.60000108.6V113 V124 I144 M161 E162 L163 L164V113-V182 HydrophobicContact CG1-CG1 4.41Å; V113-V182 HydrophobicContact CG1-CG2 3.61Å; V124-V182 HydrophobicContact CB-CG2 4.41Å; V124-V182 CarbonylContact O-C 3.51Å; V124-V182 VanDerWaalsContact O-CA 3.28Å; V124-V182 WeakPolarHBondContact O-CA 3.5Å; I144-V182 HydrophobicContact CD1-CG1 4.36Å; M161-V182 HydrophobicContact CE-CG2 3.65Å; M161-V182 HydrophobicContact CG-CG2 4.04Å; M161-V182 HydrophobicContact SD-CB 4.04Å; M161-V182 HydrophobicContact SD-CG2 3.51Å; M161-V182 VanDerWaalsContact SD-CG2 3.51Å; E162-V182 PolarHBondContact O-N 3.45Å; E162-V182 VanDerWaalsContact O-N 3.1Å; L163-V182 WeakPolarHBondContact CA-O 3.36Å; L163-V182 HydrophobicContact CD1-CB 3.59Å; L163-V182 HydrophobicContact CD1-CG1 3.59Å; L163-V182 WeakPolarHBondContact CD1-O 3.35Å; L164-V182 PolarHBondContact N-O 3.44Å
183K93.1Very high75.4Confident22 Ų2267.7 Ų67.710%0.09635%0.351CS..EExtended strand (participates in β ladder)trans-121.4130.1175.5-169.8168.8-178.4173.90109.9V124 S125 V126 L164 N166 L185 E226 I230V124-K183 PolarHBondContact O-N 3.47Å; S125-K183 CarbonylContact C-O 3.54Å; S125-K183 VanDerWaalsContact CA-O 3.27Å; S125-K183 WeakPolarHBondContact CA-O 3.35Å; V126-K183 PolarHBondContact N-O 3.17Å; L164-K183 HydrophobicContact CB-CG 4.37Å; N166-K183 WeakPolarHBondContact OD1-CE 3.41Å; K183-L185 HydrophobicContact CD-CD2 3.69Å; K183-L185 VanDerWaalsContact CE-CD2 3.44Å; K183-L185 HydrophobicContact CG-CD2 3.71Å; K183-L185 HydrophobicContact CG-CG 4.19Å; K183-E226 IonicContact NZ-OE1 3.35Å; K183-E226 PolarHBondContact NZ-OE1 3.44Å; K183-E226 IonicContact NZ-OE2 3.68Å; K183-E226 PolarHBondContact NZ-OE2 2.89Å; K183-I230 HydrophobicContact CD-CD1 3.72Å
184V96Very high78.6Confident3 Ų361.2 Ų61.22%0.01832%0.322CS..EExtended strand (participates in β ladder)trans-102.2120.4176.5-172.30000108.8F133 Q134 L140 L163 N166F133-V184 VanDerWaalsContact C-CG1 3.49Å; F133-V184 HydrophobicContact CB-CG1 3.59Å; Q134-V184 HydrophobicContact CB-CG1 4.08Å; L140-V184 HydrophobicContact CD2-CG2 3.91Å; L163-V184 HydrophobicContact CD1-CG2 4.19Å; N166-V184 PolarHBondContact ND2-O 3.13Å
185L95.8Very high81.6Confident1 Ų154.4 Ų54.41%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-115.2154.1-169.9-61175.8000111.9V126 Y127 K183 D189 F248 L249V126-L185 PolarHBondContact O-N 3.44Å; Y127-L185 HydrophobicContact CD2-CB 3.81Å; K183-L185 HydrophobicContact CD-CD2 3.69Å; K183-L185 VanDerWaalsContact CE-CD2 3.44Å; K183-L185 HydrophobicContact CG-CD2 3.71Å; K183-L185 HydrophobicContact CG-CG 4.19Å; L185-D189 VanDerWaalsContact CA-OD2 3.25Å; L185-D189 WeakPolarHBondContact CA-OD2 3.49Å; L185-D189 HydrophobicContact CD2-CB 3.9Å; L185-F248 HydrophobicContact CD1-CD2 4.41Å; L185-F248 HydrophobicContact CD1-CE2 3.76Å; L185-F248 HydrophobicContact CD1-CZ 4.46Å; L185-L249 HydrophobicContact CD1-CD1 3.62Å; L185-L249 HydrophobicContact CD1-CD2 4.1Å; L185-L249 HydrophobicContact CD1-CG 3.84Å
186S96.4Very high84.9Confident5 Ų553 Ų534%0.03528%0.283CS..  trans-138.2174.5172.779.90000110.8Q134 E188 D189Q134-S186 PolarHBondContact NE2-OG 3.42Å; Q134-S186 PolarHBondContact OE1-OG 3.24Å; S186-E188 PolarHBondContact O-N 3.39Å; S186-E188 VanDerWaalsContact O-N 3.07Å; S186-D189 PolarHBondContact N-OD2 2.97Å; S186-D189 WeakPolarHBondContact O-CB 3.43Å; S186-D189 PolarHBondContact O-N 2.96Å
187P95.8Very high87.8Confident50 Ų5046.8 Ų46.833%0.32525%0.246SC..G310 helixtrans-55.2-24.9178.6-25.933.1000114.9H129 D189 G190H129-P187 WeakPolarHBondContact O-CG 3.38Å; P187-D189 PolarHBondContact O-N 3.49Å; P187-G190 PolarHBondContact O-N 3.21Å; P187-G190 VanDerWaalsContact O-N 3.11Å
188E93.8Very high90.6Very high106 Ų10646.3 Ų46.350%0.49525%0.245SC..G310 helixtrans-66-26.1178.1-60.7-60.4165.700112.3S186 G190 H192 S193S186-E188 PolarHBondContact O-N 3.39Å; S186-E188 VanDerWaalsContact O-N 3.07Å; E188-G190 PolarHBondContact O-N 2.94Å; E188-H192 WeakPolarHBondContact O-CB 3.37Å; E188-H192 WeakPolarHBondContact OE2-CB 3.31Å; E188-H192 IonicContact OE2-CD2 3.31Å; E188-H192 IonicContact OE2-CE1 3.73Å; E188-H192 IonicContact OE2-CG 3.82Å; E188-H192 IonicContact OE2-ND1 3.95Å; E188-H192 PolarHBondContact OE2-ND1 2.88Å; E188-H192 VanDerWaalsContact OE2-ND1 3.09Å; E188-S193 PolarHBondContact O-N 3.4Å
189D93.4Very high92.7Very high21 Ų2147.3 Ų47.311%0.11223%0.231CC..G310 helixtrans-78.6-10.1177.1-53.4-52.2000112.6Q134 N166 L185 S186 P187 L249Q134-D189 PolarHBondContact NE2-OD2 3.32Å; N166-D189 PolarHBondContact ND2-OD1 2.93Å; N166-D189 PolarHBondContact ND2-OD2 2.96Å; L185-D189 VanDerWaalsContact CA-OD2 3.25Å; L185-D189 WeakPolarHBondContact CA-OD2 3.49Å; L185-D189 HydrophobicContact CD2-CB 3.9Å; S186-D189 PolarHBondContact N-OD2 2.97Å; S186-D189 WeakPolarHBondContact O-CB 3.43Å; S186-D189 PolarHBondContact O-N 2.96Å; P187-D189 PolarHBondContact O-N 3.49Å; D189-L249 HydrophobicContact CB-CD2 4.22Å; D189-L249 WeakPolarHBondContact O-CD2 3.44Å
190G93.8Very high93.8Very high3 Ų348 Ų483%0.03124%0.237CC..THydrogen-bonded Turntrans-89.4-111.2176.600000112.2P187 E188 H192 S193 I194P187-G190 PolarHBondContact O-N 3.21Å; P187-G190 VanDerWaalsContact O-N 3.11Å; E188-G190 PolarHBondContact O-N 2.94Å; G190-H192 VanDerWaalsContact C-N 3.27Å; G190-H192 PolarHBondContact O-N 2.95Å; G190-S193 PolarHBondContact O-N 3.21Å; G190-I194 PolarHBondContact O-N 3.02Å
191K95.8Very high94.4Very high151 Ų15148.3 Ų48.366%0.65724%0.238SC*.Hα-helixtrans-62.1-34.4-173.8-67.6-174.7179-179.40113I194 V195 P250K191-I194 WeakPolarHBondContact O-CB 3.28Å; K191-I194 PolarHBondContact O-N 2.87Å; K191-V195 WeakPolarHBondContact O-CG2 3.5Å; K191-V195 PolarHBondContact O-N 3.34Å; K191-P250 HydrophobicContact CG-CG 4.19Å
192H94.9Very high94.7Very high74 Ų7451.1 Ų51.134%0.34326%0.259SS..Hα-helixtrans-66.2-43.4-179.1-176.5105.9000111.3E188 G190 I194 V195 Q196E188-H192 WeakPolarHBondContact O-CB 3.37Å; E188-H192 WeakPolarHBondContact OE2-CB 3.31Å; E188-H192 IonicContact OE2-CD2 3.31Å; E188-H192 IonicContact OE2-CE1 3.73Å; E188-H192 IonicContact OE2-CG 3.82Å; E188-H192 IonicContact OE2-ND1 3.95Å; E188-H192 PolarHBondContact OE2-ND1 2.88Å; E188-H192 VanDerWaalsContact OE2-ND1 3.09Å; G190-H192 VanDerWaalsContact C-N 3.27Å; G190-H192 PolarHBondContact O-N 2.95Å; H192-I194 VanDerWaalsContact C-N 3.29Å; H192-I194 PolarHBondContact O-N 3.23Å; H192-V195 WeakPolarHBondContact O-CB 3.44Å; H192-V195 PolarHBondContact O-N 3.11Å; H192-V195 VanDerWaalsContact O-N 3.08Å; H192-Q196 PolarHBondContact CD2-NE2 2.67Å; H192-Q196 PolarHBondContact NE2-NE2 3.01Å; H192-Q196 WeakPolarHBondContact O-CG 3.43Å; H192-Q196 PolarHBondContact O-N 2.67Å
193S93.6Very high94.8Very high25 Ų2556.1 Ų56.118%0.17528%0.282CS..Hα-helixtrans-54.7-41.9171.4-177.20000112.7E188 G190 V195 Q196 A197E188-S193 PolarHBondContact O-N 3.4Å; G190-S193 PolarHBondContact O-N 3.21Å; S193-V195 PolarHBondContact O-N 2.82Å; S193-Q196 WeakPolarHBondContact O-CB 3.18Å; S193-Q196 PolarHBondContact O-N 3.23Å; S193-Q196 VanDerWaalsContact O-N 3.17Å; S193-A197 PolarHBondContact O-N 3.03Å
194I95.5Very high94.9Very high47 Ų4756.5 Ų56.524%0.24129%0.288CS..Hα-helixtrans-60.8-44.5174.7-58.2170.8000111.7G190 K191 H192 Q196 A197 A198 L224 W251G190-I194 PolarHBondContact O-N 3.02Å; K191-I194 WeakPolarHBondContact O-CB 3.28Å; K191-I194 PolarHBondContact O-N 2.87Å; H192-I194 VanDerWaalsContact C-N 3.29Å; H192-I194 PolarHBondContact O-N 3.23Å; I194-Q196 VanDerWaalsContact C-N 3.33Å; I194-Q196 PolarHBondContact O-N 3.31Å; I194-A197 PolarHBondContact O-N 2.83Å; I194-A198 WeakPolarHBondContact O-CB 3.33Å; I194-A198 PolarHBondContact O-N 2.84Å; I194-L224 HydrophobicContact CG1-CD1 4.19Å; I194-L224 HydrophobicContact CG1-CD2 4.07Å; I194-W251 HydrophobicContact CD1-CB 4.03Å
195V96.9Very high94.9Very high66 Ų6658.5 Ų58.540%0.430%0.3SS..Hα-helixtrans-63.1-40.3175.8173.40000111.1K191 H192 S193 A198 R199K191-V195 WeakPolarHBondContact O-CG2 3.5Å; K191-V195 PolarHBondContact O-N 3.34Å; H192-V195 WeakPolarHBondContact O-CB 3.44Å; H192-V195 PolarHBondContact O-N 3.11Å; H192-V195 VanDerWaalsContact O-N 3.08Å; S193-V195 PolarHBondContact O-N 2.82Å; V195-A198 PolarHBondContact O-N 2.72Å; V195-R199 WeakPolarHBondContact O-CG 3.24Å; V195-R199 PolarHBondContact O-N 3.5Å
196Q94.6Very high94.9Very high84 Ų8465.7 Ų65.739%0.39333%0.334SS..Hα-helixtrans-63.7-44.4176.1-69.6-172.30.900112H192 S193 I194 R199 K200H192-Q196 PolarHBondContact CD2-NE2 2.67Å; H192-Q196 PolarHBondContact NE2-NE2 3.01Å; H192-Q196 WeakPolarHBondContact O-CG 3.43Å; H192-Q196 PolarHBondContact O-N 2.67Å; S193-Q196 WeakPolarHBondContact O-CB 3.18Å; S193-Q196 PolarHBondContact O-N 3.23Å; S193-Q196 VanDerWaalsContact O-N 3.17Å; I194-Q196 VanDerWaalsContact C-N 3.33Å; I194-Q196 PolarHBondContact O-N 3.31Å; Q196-R199 PolarHBondContact O-N 3.27Å; Q196-K200 WeakPolarHBondContact O-CG 3.39Å; Q196-K200 PolarHBondContact O-N 2.93Å
197A93.9Very high94.9Very high4 Ų472.2 Ų72.23%0.03336%0.361CS..Hα-helixtrans-61.7-44.3176.400000111.5S193 I194 R199 K200 L201 L220 L223 L224S193-A197 PolarHBondContact O-N 3.03Å; I194-A197 PolarHBondContact O-N 2.83Å; A197-R199 PolarHBondContact O-N 3.41Å; A197-K200 WeakPolarHBondContact O-CB 3.23Å; A197-K200 PolarHBondContact O-N 3.04Å; A197-L201 PolarHBondContact O-N 3.17Å; A197-L220 HydrophobicContact CB-CD1 3.76Å; A197-L223 HydrophobicContact CB-CB 4.21Å; A197-L224 HydrophobicContact CB-CD2 3.75Å; A197-L224 HydrophobicContact CB-CG 4.3Å
198A94.8Very high94.8Very high44 Ų4479 Ų7936%0.36439%0.385SS..Hα-helixtrans-60.6-43.2175.500000112.2I194 V195 K200 L201 C202I194-A198 WeakPolarHBondContact O-CB 3.33Å; I194-A198 PolarHBondContact O-N 2.84Å; V195-A198 PolarHBondContact O-N 2.72Å; A198-K200 PolarHBondContact O-N 3.5Å; A198-L201 WeakPolarHBondContact O-CB 3.44Å; A198-L201 PolarHBondContact O-N 2.64Å; A198-C202 PolarHBondContact O-N 2.95Å; A198-C202 PolarHBondContact O-SG 2.82Å
199R95.9Very high94.8Very high147 Ų14779.4 Ų79.456%0.55539%0.388SS*.Hα-helixtrans-60.1-44.8175.2-75175.3-175.41581.9111.8V195 Q196 A197 L201 C202 H203V195-R199 WeakPolarHBondContact O-CG 3.24Å; V195-R199 PolarHBondContact O-N 3.5Å; Q196-R199 PolarHBondContact O-N 3.27Å; A197-R199 PolarHBondContact O-N 3.41Å; R199-L201 VanDerWaalsContact C-N 3.32Å; R199-L201 PolarHBondContact O-N 2.79Å; R199-C202 PolarHBondContact O-N 2.94Å; R199-H203 PolarHBondContact O-N 2.88Å; R199-H203 PolarHBondContact O-ND1 3.48Å
200K93.4Very high94.7Very high127 Ų12783.4 Ų83.455%0.55240%0.401SS*.Hα-helixtrans-57.6-45.9176.6-71.4174.9-176.6175.50111.2Q196 A197 A198 C202 H203 S204Q196-K200 WeakPolarHBondContact O-CG 3.39Å; Q196-K200 PolarHBondContact O-N 2.93Å; A197-K200 WeakPolarHBondContact O-CB 3.23Å; A197-K200 PolarHBondContact O-N 3.04Å; A198-K200 PolarHBondContact O-N 3.5Å; K200-C202 PolarHBondContact O-N 2.9Å; K200-H203 PolarHBondContact O-N 2.95Å; K200-S204 PolarHBondContact O-N 3.3Å
201L94Very high94.6Very high13 Ų1385.8 Ų85.87%0.06842%0.417CS..Hα-helixtrans-58.8-48.2175.2-73.8170.3000112.1A197 A198 R199 H203 S204 V205 I215 V219 L220 L223A197-L201 PolarHBondContact O-N 3.17Å; A198-L201 WeakPolarHBondContact O-CB 3.44Å; A198-L201 PolarHBondContact O-N 2.64Å; R199-L201 VanDerWaalsContact C-N 3.32Å; R199-L201 PolarHBondContact O-N 2.79Å; L201-H203 VanDerWaalsContact C-N 3.29Å; L201-H203 PolarHBondContact O-N 3.35Å; L201-S204 PolarHBondContact O-N 3.38Å; L201-V205 WeakPolarHBondContact O-CG2 3.4Å; L201-V205 PolarHBondContact O-N 3.12Å; L201-I215 HydrophobicContact CD1-CG2 4.22Å; L201-V219 HydrophobicContact CD2-CG1 3.81Å; L201-L220 HydrophobicContact CD1-CD1 4.28Å; L201-L223 HydrophobicContact CD1-CD1 3.85Å; L201-L223 HydrophobicContact CD2-CD1 3.42Å; L201-L223 VanDerWaalsContact CD2-CD1 3.42Å; L201-L223 HydrophobicContact CG-CD1 3.4Å
202C94.8Very high94.4Very high80 Ų8082.6 Ų82.654%0.54141%0.414SS..Hα-helixtrans-59-39.6177.9-66.30000112.5A198 R199 K200 V205 E206A198-C202 PolarHBondContact O-N 2.95Å; A198-C202 PolarHBondContact O-SG 2.82Å; R199-C202 PolarHBondContact O-N 2.94Å; K200-C202 PolarHBondContact O-N 2.9Å; C202-V205 PolarHBondContact O-N 3.49Å; C202-E206 PolarHBondContact O-N 3.29Å
203H95.4Very high94.4Very high105 Ų10588 Ų8849%0.48644%0.436SS..Hα-helixtrans-67-39.4178-74.154.6000112R199 K200 L201 V205 E206 K207R199-H203 PolarHBondContact O-N 2.88Å; R199-H203 PolarHBondContact O-ND1 3.48Å; K200-H203 PolarHBondContact O-N 2.95Å; L201-H203 VanDerWaalsContact C-N 3.29Å; L201-H203 PolarHBondContact O-N 3.35Å; H203-V205 VanDerWaalsContact C-N 3.33Å; H203-E206 PolarHBondContact O-N 2.92Å; H203-K207 WeakPolarHBondContact O-CG 3.29Å; H203-K207 PolarHBondContact O-N 3.22Å
204S94.1Very high94.2Very high31 Ų3190.8 Ų90.822%0.21745%0.45CS..Hα-helixtrans-67.4-33.7175-76.80000112.6K200 L201 K207 K208 E209 W210K200-S204 PolarHBondContact O-N 3.3Å; L201-S204 PolarHBondContact O-N 3.38Å; S204-K207 PolarHBondContact O-N 2.96Å; S204-K208 PolarHBondContact O-N 3.22Å; S204-E209 WeakPolarHBondContact CB-OE2 3.29Å; S204-E209 WeakPolarHBondContact O-CB 3.27Å; S204-E209 PolarHBondContact O-N 2.67Å; S204-E209 PolarHBondContact OG-OE2 3.16Å; S204-W210 PolarHBondContact O-N 3.07Å
205V95.7Very high94.1Very high45 Ų4592.3 Ų92.327%0.27346%0.457SS..Hα-helixtrans-66.8-43.4172.1174.40000111.3L201 C202 H203 K207 K208 W210 I215L201-V205 WeakPolarHBondContact O-CG2 3.4Å; L201-V205 PolarHBondContact O-N 3.12Å; C202-V205 PolarHBondContact O-N 3.49Å; H203-V205 VanDerWaalsContact C-N 3.33Å; V205-K207 VanDerWaalsContact C-N 3.3Å; V205-K207 PolarHBondContact O-N 3.22Å; V205-K208 WeakPolarHBondContact O-CA 3.15Å; V205-K208 PolarHBondContact O-N 3.43Å; V205-W210 WeakPolarHBondContact CA-O 3.4Å; V205-W210 HydrophobicContact CG2-CB 4.17Å; V205-I215 HydrophobicContact CG2-CD1 4.34Å
206E95.7Very high94Very high152 Ų15291.5 Ų91.571%0.7146%0.455SS*.Hα-helixtrans-59.6-40.9176.4-177.6178.5-154.800112C202 H203 K208C202-E206 PolarHBondContact O-N 3.29Å; H203-E206 PolarHBondContact O-N 2.92Å; E206-K208 PolarHBondContact O-N 3.4Å
207K96.5Very high94Very high142 Ų14292.2 Ų92.262%0.61746%0.464SS*.THydrogen-bonded Turntrans-71.6-1.6174.6-69.7178.2-179-1780114.3H203 S204 V205 E209H203-K207 WeakPolarHBondContact O-CG 3.29Å; H203-K207 PolarHBondContact O-N 3.22Å; S204-K207 PolarHBondContact O-N 2.96Å; V205-K207 VanDerWaalsContact C-N 3.3Å; V205-K207 PolarHBondContact O-N 3.22Å; K207-E209 HydrophobicContact CB-CG 3.92Å; K207-E209 WeakPolarHBondContact CD-OE1 3.28Å; K207-E209 PolarHBondContact O-N 3.04Å
208K94.5Very high93.9Very high191 Ų19195.7 Ų95.783%0.8349%0.489SS*.THydrogen-bonded Turntrans60.123.4-175.7-51.3177.7-179.2176.90113.7S204 V205 E206 W210S204-K208 PolarHBondContact O-N 3.22Å; V205-K208 WeakPolarHBondContact O-CA 3.15Å; V205-K208 PolarHBondContact O-N 3.43Å; E206-K208 PolarHBondContact O-N 3.4Å; K208-W210 VanDerWaalsContact C-N 3.35Å
209E93.4Very high93.8Very high116 Ų11694.9 Ų94.954%0.54248%0.479SS..SBendtrans-76.1-30.3172.9-63.6167.4174.100110.5S204 K207S204-E209 WeakPolarHBondContact CB-OE2 3.29Å; S204-E209 WeakPolarHBondContact O-CB 3.27Å; S204-E209 PolarHBondContact O-N 2.67Å; S204-E209 PolarHBondContact OG-OE2 3.16Å; K207-E209 HydrophobicContact CB-CG 3.92Å; K207-E209 WeakPolarHBondContact CD-OE1 3.28Å; K207-E209 PolarHBondContact O-N 3.04Å
210W91.5Very high93.6Very high104 Ų10489.3 Ų89.339%0.39446%0.46SS..SBendtrans-134.1151.7-177.8-70.157.8000110.2S204 V205 K208 D214 V219S204-W210 PolarHBondContact O-N 3.07Å; V205-W210 WeakPolarHBondContact CA-O 3.4Å; V205-W210 HydrophobicContact CG2-CB 4.17Å; K208-W210 VanDerWaalsContact C-N 3.35Å; W210-D214 HydrophobicContact CE3-CB 4.01Å; W210-V219 HydrophobicContact CE3-CG1 4.39Å; W210-V219 HydrophobicContact CH2-CG1 3.71Å; W210-V219 HydrophobicContact CH2-CG2 4.06Å; W210-V219 HydrophobicContact CZ3-CB 4.21Å; W210-V219 HydrophobicContact CZ3-CG1 3.41Å; W210-V219 VanDerWaalsContact CZ3-CG1 3.41Å; W210-V219 HydrophobicContact CZ3-CG2 3.7Å
211S92.7Very high93.5Very high54 Ų5484.3 Ų84.338%0.37844%0.44SS..  trans-92154.2167-175.50000110.8K213 D214S211-K213 PolarHBondContact O-N 3.1Å; S211-K213 VanDerWaalsContact O-N 3.17Å; S211-D214 WeakPolarHBondContact CA-OD2 3.44Å; S211-D214 WeakPolarHBondContact CB-OD2 3.26Å; S211-D214 PolarHBondContact N-OD2 2.94Å; S211-D214 WeakPolarHBondContact O-CB 3.38Å; S211-D214 PolarHBondContact O-N 2.88Å
212S91.5Very high93.3Very high83 Ų8388.7 Ų88.758%0.5847%0.467SS*.G310 helixtrans-60-26.1173.8600000113.1D214 I215S212-D214 VanDerWaalsContact C-N 3.26Å; S212-D214 PolarHBondContact O-N 3.4Å; S212-I215 PolarHBondContact O-N 3.42Å
213K93.3Very high93Very high187 Ų18788.2 Ų88.281%0.81346%0.458SS*.G310 helixtrans-73.4-18.4176.5-63-176.4-178.7179.60113.3S211 I215S211-K213 PolarHBondContact O-N 3.1Å; S211-K213 VanDerWaalsContact O-N 3.17Å; K213-I215 VanDerWaalsContact C-N 3.25Å
214D90.7Very high92.8Very high85 Ų8583.6 Ų83.646%0.45544%0.437SS..G310 helixtrans-83.2-8.5-179.1-53.3-30.6000111.5W210 S211 S212 S216W210-D214 HydrophobicContact CE3-CB 4.01Å; S211-D214 WeakPolarHBondContact CA-OD2 3.44Å; S211-D214 WeakPolarHBondContact CB-OD2 3.26Å; S211-D214 PolarHBondContact N-OD2 2.94Å; S211-D214 WeakPolarHBondContact O-CB 3.38Å; S211-D214 PolarHBondContact O-N 2.88Å; S212-D214 VanDerWaalsContact C-N 3.26Å; S212-D214 PolarHBondContact O-N 3.4Å; D214-S216 PolarHBondContact O-N 2.86Å
215I93.6Very high92.3Very high78 Ų7885.3 Ų85.340%0.444%0.439SS..  trans-74.5111177.1-58.1174.7000109.1L201 V205 S212 K213L201-I215 HydrophobicContact CD1-CG2 4.22Å; V205-I215 HydrophobicContact CG2-CD1 4.34Å; S212-I215 PolarHBondContact O-N 3.42Å; K213-I215 VanDerWaalsContact C-N 3.25Å
216S94.3Very high90.9Very high50 Ų5086.9 Ų86.935%0.3544%0.443SS..  trans-128.3169179.873.40000111.8D214 S218 V219 L220D214-S216 PolarHBondContact O-N 2.86Å; S216-S218 VanDerWaalsContact C-N 3.28Å; S216-S218 PolarHBondContact O-N 3.1Å; S216-S218 PolarHBondContact OG-OG 3.43Å; S216-V219 PolarHBondContact O-N 3.33Å; S216-V219 VanDerWaalsContact OG-CG2 3.32Å; S216-V219 WeakPolarHBondContact OG-CG2 3.24Å; S216-V219 PolarHBondContact OG-N 3.12Å; S216-L220 PolarHBondContact O-N 3.25Å; S216-L220 VanDerWaalsContact O-N 3.09Å
217V94.5Very high89Confident98 Ų9885.1 Ų85.159%0.59445%0.448SS*.Hα-helixtrans-58.5-41.8175.6177.40000111L220 D221 W251V217-L220 PolarHBondContact O-N 3.07Å; V217-D221 VanDerWaalsContact O-CB 3.29Å; V217-D221 WeakPolarHBondContact O-CB 3.45Å; V217-D221 PolarHBondContact O-N 3.45Å; V217-W251 HydrophobicContact CG1-CH2 4Å; V217-W251 HydrophobicContact CG1-CZ2 3.85Å
218S92.3Very high87.4Confident78 Ų7881.1 Ų81.155%0.54543%0.43SS..Hα-helixtrans-67.4-38-179.754.30000112.4S216 D221 V222S216-S218 VanDerWaalsContact C-N 3.28Å; S216-S218 PolarHBondContact O-N 3.1Å; S216-S218 PolarHBondContact OG-OG 3.43Å; S218-D221 PolarHBondContact O-N 2.86Å; S218-V222 VanDerWaalsContact O-CG2 3.3Å; S218-V222 WeakPolarHBondContact O-CG2 3.47Å; S218-V222 PolarHBondContact O-N 3.08Å
219V91.3Very high86.6Confident26 Ų2677.3 Ų77.316%0.15842%0.419CS..Hα-helixtrans-63.8-46.3176169.20000110.6L201 W210 S216 D221 V222 L223L201-V219 HydrophobicContact CD2-CG1 3.81Å; W210-V219 HydrophobicContact CE3-CG1 4.39Å; W210-V219 HydrophobicContact CH2-CG1 3.71Å; W210-V219 HydrophobicContact CH2-CG2 4.06Å; W210-V219 HydrophobicContact CZ3-CB 4.21Å; W210-V219 HydrophobicContact CZ3-CG1 3.41Å; W210-V219 VanDerWaalsContact CZ3-CG1 3.41Å; W210-V219 HydrophobicContact CZ3-CG2 3.7Å; S216-V219 PolarHBondContact O-N 3.33Å; S216-V219 VanDerWaalsContact OG-CG2 3.32Å; S216-V219 WeakPolarHBondContact OG-CG2 3.24Å; S216-V219 PolarHBondContact OG-N 3.12Å; V219-D221 VanDerWaalsContact C-N 3.33Å; V219-V222 PolarHBondContact O-N 2.72Å; V219-L223 HydrophobicContact CG1-CD1 4.47Å; V219-L223 WeakPolarHBondContact O-CG 3.24Å; V219-L223 PolarHBondContact O-N 2.76Å; V219-L223 VanDerWaalsContact O-N 3.1Å
220L92.4Very high86.2Confident30 Ų3073 Ų7316%0.15740%0.399CS..Hα-helixtrans-64.9-39.8177.5-17755.9000111.5A197 L201 S216 V217 V222 L223 L224 W251A197-L220 HydrophobicContact CB-CD1 3.76Å; L201-L220 HydrophobicContact CD1-CD1 4.28Å; S216-L220 PolarHBondContact O-N 3.25Å; S216-L220 VanDerWaalsContact O-N 3.09Å; V217-L220 PolarHBondContact O-N 3.07Å; L220-V222 PolarHBondContact O-N 3.05Å; L220-L223 PolarHBondContact O-N 3.4Å; L220-L223 VanDerWaalsContact O-N 3.16Å; L220-L224 HydrophobicContact CD1-CD1 4.11Å; L220-L224 HydrophobicContact CD1-CG 4.15Å; L220-L224 HydrophobicContact CG-CD1 3.93Å; L220-L224 HydrophobicContact CG-CG 4.41Å; L220-L224 VanDerWaalsContact O-CG 3.3Å; L220-L224 WeakPolarHBondContact O-CG 3.5Å; L220-L224 PolarHBondContact O-N 3.44Å; L220-W251 HydrophobicContact CB-CH2 4.27Å; L220-W251 HydrophobicContact CB-CZ2 4.31Å; L220-W251 HydrophobicContact CD2-CE3 4.26Å; L220-W251 HydrophobicContact CD2-CH2 3.6Å; L220-W251 HydrophobicContact CD2-CZ2 4.26Å; L220-W251 HydrophobicContact CD2-CZ3 3.6Å; L220-W251 HydrophobicContact CG-CH2 4.04Å; L220-W251 HydrophobicContact CG-CZ2 4.2Å; L220-W251 HydrophobicContact CG-CZ3 4.35Å
221D91.8Very high86.3Confident23 Ų2369.7 Ų69.712%0.12339%0.391CS..Hα-helixtrans-59.5-45.3176.5-163.170.9000111.8V217 S218 V219 L223 L224 R225 W251 R254V217-D221 VanDerWaalsContact O-CB 3.29Å; V217-D221 WeakPolarHBondContact O-CB 3.45Å; V217-D221 PolarHBondContact O-N 3.45Å; S218-D221 PolarHBondContact O-N 2.86Å; V219-D221 VanDerWaalsContact C-N 3.33Å; D221-L223 VanDerWaalsContact C-N 3.31Å; D221-L223 PolarHBondContact O-N 2.59Å; D221-L224 PolarHBondContact O-N 2.91Å; D221-R225 WeakPolarHBondContact O-CB 3.37Å; D221-R225 VanDerWaalsContact O-CG 3.28Å; D221-R225 WeakPolarHBondContact O-CG 3.45Å; D221-R225 PolarHBondContact O-N 2.82Å; D221-R225 IonicContact OD1-NE 3.23Å; D221-R225 IonicContact OD2-CZ 2.98Å; D221-R225 VanDerWaalsContact OD2-CZ 3.23Å; D221-R225 IonicContact OD2-NE 3.23Å; D221-R225 PolarHBondContact OD2-NE 3.49Å; D221-R225 IonicContact OD2-NH1 2.67Å; D221-R225 IonicContact OD2-NH2 3.96Å; D221-W251 HydrophobicContact CB-CZ2 4.4Å; D221-W251 PolarHBondContact OD1-NE1 2.96Å; D221-R254 IonicContact OD1-NH1 3.89Å
222V89.1Confident86.4Confident105 Ų10568.4 Ų68.464%0.63638%0.38SS*.Hα-helixtrans-62.7-36.4175170.60000112S218 V219 L220 R225S218-V222 VanDerWaalsContact O-CG2 3.3Å; S218-V222 WeakPolarHBondContact O-CG2 3.47Å; S218-V222 PolarHBondContact O-N 3.08Å; V219-V222 PolarHBondContact O-N 2.72Å; L220-V222 PolarHBondContact O-N 3.05Å; V222-R225 VanDerWaalsContact O-O 3.04Å
223L89.6Confident86.7Confident70 Ų7064.7 Ų64.737%0.36635%0.354SS..Hα-helixtrans-73.5-29.7178.1-73.6176.6000113.7A197 L201 V219 L220 D221A197-L223 HydrophobicContact CB-CB 4.21Å; L201-L223 HydrophobicContact CD1-CD1 3.85Å; L201-L223 HydrophobicContact CD2-CD1 3.42Å; L201-L223 VanDerWaalsContact CD2-CD1 3.42Å; L201-L223 HydrophobicContact CG-CD1 3.4Å; V219-L223 HydrophobicContact CG1-CD1 4.47Å; V219-L223 WeakPolarHBondContact O-CG 3.24Å; V219-L223 PolarHBondContact O-N 2.76Å; V219-L223 VanDerWaalsContact O-N 3.1Å; L220-L223 PolarHBondContact O-N 3.4Å; L220-L223 VanDerWaalsContact O-N 3.16Å; D221-L223 VanDerWaalsContact C-N 3.31Å; D221-L223 PolarHBondContact O-N 2.59Å
224L90.3Very high86.9Confident8 Ų858.5 Ų58.54%0.04233%0.328CS..Hα-helixtrans-80.9-29.6177.6-68.6172.9000112.1I194 A197 L220 D221 E226 W251I194-L224 HydrophobicContact CG1-CD1 4.19Å; I194-L224 HydrophobicContact CG1-CD2 4.07Å; A197-L224 HydrophobicContact CB-CD2 3.75Å; A197-L224 HydrophobicContact CB-CG 4.3Å; L220-L224 HydrophobicContact CD1-CD1 4.11Å; L220-L224 HydrophobicContact CD1-CG 4.15Å; L220-L224 HydrophobicContact CG-CD1 3.93Å; L220-L224 HydrophobicContact CG-CG 4.41Å; L220-L224 VanDerWaalsContact O-CG 3.3Å; L220-L224 WeakPolarHBondContact O-CG 3.5Å; L220-L224 PolarHBondContact O-N 3.44Å; D221-L224 PolarHBondContact O-N 2.91Å; L224-E226 PolarHBondContact O-N 2.63Å; L224-W251 HydrophobicContact CD1-CB 4.01Å; L224-W251 HydrophobicContact CD1-CD2 3.63Å; L224-W251 HydrophobicContact CD1-CE3 4.28Å; L224-W251 HydrophobicContact CD1-CG 3.47Å; L224-W251 VanDerWaalsContact CD1-CG 3.47Å
225R83.3Confident87.3Confident67 Ų6754.4 Ų54.425%0.25331%0.306SS..SBendtrans-76.1101.2171.2-69.2174.3-178.3-147.8-0.8108.9D221 V222 D232D221-R225 WeakPolarHBondContact O-CB 3.37Å; D221-R225 VanDerWaalsContact O-CG 3.28Å; D221-R225 WeakPolarHBondContact O-CG 3.45Å; D221-R225 PolarHBondContact O-N 2.82Å; D221-R225 IonicContact OD1-NE 3.23Å; D221-R225 IonicContact OD2-CZ 2.98Å; D221-R225 VanDerWaalsContact OD2-CZ 3.23Å; D221-R225 IonicContact OD2-NE 3.23Å; D221-R225 PolarHBondContact OD2-NE 3.49Å; D221-R225 IonicContact OD2-NH1 2.67Å; D221-R225 IonicContact OD2-NH2 3.96Å; V222-R225 VanDerWaalsContact O-O 3.04Å; R225-D232 IonicContact CZ-OD1 2.89Å; R225-D232 VanDerWaalsContact NH2-CG 3.29Å; R225-D232 IonicContact NH2-OD1 3.52Å; R225-D232 PolarHBondContact NH2-OD1 2.99Å; R225-D232 IonicContact NH2-OD2 2.71Å; R225-D232 PolarHBondContact NH2-OD2 3.23Å
226E67.9Low87.5Confident77 Ų7750.8 Ų50.836%0.3629%0.287SS..  trans-54.8174174.4-68.8168-165.100112.6K183 L224 K228 N229K183-E226 IonicContact NZ-OE1 3.35Å; K183-E226 PolarHBondContact NZ-OE1 3.44Å; K183-E226 IonicContact NZ-OE2 3.68Å; K183-E226 PolarHBondContact NZ-OE2 2.89Å; L224-E226 PolarHBondContact O-N 2.63Å; E226-K228 PolarHBondContact O-N 3.09Å; E226-N229 PolarHBondContact O-N 3.01Å
227S54.1Low87.7Confident115 Ų11548.4 Ų48.480%0.80427%0.271SS*.THydrogen-bonded Turntrans-51.7-17.4-172.556.70000116.7
228K64.5Low87.9Confident59 Ų5944.3 Ų44.326%0.25725%0.245SC..THydrogen-bonded Turntrans-97.11.4-178.8-60-140.5-174.5160.30115.3E162 L164 E226 I230E162-K228 IonicContact OE1-NZ 3.09Å; E162-K228 PolarHBondContact OE1-NZ 2.59Å; E162-K228 IonicContact OE2-NZ 3.62Å; E162-K228 PolarHBondContact OE2-NZ 3.34Å; L164-K228 HydrophobicContact CD1-CB 4.27Å; L164-K228 HydrophobicContact CD1-CD 3.94Å; L164-K228 HydrophobicContact CD1-CG 4.31Å; L164-K228 HydrophobicContact CD2-CD 3.58Å; L164-K228 HydrophobicContact CD2-CG 4.13Å; L164-K228 HydrophobicContact CG-CD 4.17Å; E226-K228 PolarHBondContact O-N 3.09Å; K228-I230 VanDerWaalsContact C-N 3.27Å; K228-I230 HydrophobicContact CB-CG1 4.35Å; K228-I230 PolarHBondContact O-N 3.3Å
229N76.3Confident88.2Confident110 Ų11040.6 Ų40.659%0.58822%0.219SC*.  trans49.146174.9-162.228.7000113.5E226E226-N229 PolarHBondContact O-N 3.01Å
230I86.6Confident88.5Confident25 Ų2539.6 Ų39.613%0.12821%0.214CC..PPolyproline II helixtrans-64.8130.2177.7-56.4173.7000108.4Y123 L164 K183 K228Y123-I230 HydrophobicContact CD1-CB 4.44Å; Y123-I230 HydrophobicContact CD1-CG1 4.31Å; Y123-I230 HydrophobicContact CD1-CG2 3.73Å; Y123-I230 HydrophobicContact CE1-CG1 4.27Å; Y123-I230 HydrophobicContact CE1-CG2 4.24Å; Y123-I230 HydrophobicContact CG-CG2 4.18Å; L164-I230 HydrophobicContact CD1-CD1 3.49Å; L164-I230 VanDerWaalsContact CD1-CD1 3.49Å; L164-I230 HydrophobicContact CD1-CG1 4.28Å; K183-I230 HydrophobicContact CD-CD1 3.72Å; K228-I230 VanDerWaalsContact C-N 3.27Å; K228-I230 HydrophobicContact CB-CG1 4.35Å; K228-I230 PolarHBondContact O-N 3.3Å
231P92.2Very high88.6Confident35 Ų3542.8 Ų42.823%0.22725%0.245CC..PPolyproline II helixtrans-67.2161178.327.1-33000111.8V93 H94 Y123V93-P231 HydrophobicContact CG1-CG 3.93Å; H94-P231 HydrophobicContact CB-CG 4.2Å; H94-P231 PolarHBondContact ND1-O 3.35Å; Y123-P231 HydrophobicContact CD2-CG 3.78Å; Y123-P231 HydrophobicContact CE2-CG 3.8Å; Y123-P231 HydrophobicContact CG-CG 4.44Å
232D95.2Very high88.8Confident28 Ų2844.6 Ų44.615%0.1526%0.257CS..PPolyproline II helixtrans-61.2144.5174-64.8-24.6000110.3R225 E234 H252 R254R225-D232 IonicContact CZ-OD1 2.89Å; R225-D232 VanDerWaalsContact NH2-CG 3.29Å; R225-D232 IonicContact NH2-OD1 3.52Å; R225-D232 PolarHBondContact NH2-OD1 2.99Å; R225-D232 IonicContact NH2-OD2 2.71Å; R225-D232 PolarHBondContact NH2-OD2 3.23Å; D232-E234 PolarHBondContact O-N 3.35Å; D232-H252 HydrophobicContact CB-CB 4.41Å; D232-H252 WeakPolarHBondContact CB-O 3.47Å; D232-H252 IonicContact OD1-CD2 3.53Å; D232-H252 PolarHBondContact OD1-CD2 2.9Å; D232-H252 VanDerWaalsContact OD1-CD2 3.31Å; D232-H252 IonicContact OD1-CG 2.94Å; D232-R254 IonicContact OD2-NH2 3.54Å
233P97.2Very high89.1Confident4 Ų447 Ų473%0.02627%0.266CS..PPolyproline II helixtrans-59.9129.5174.7-18.829.2000111V236 F248 L249 T256P233-V236 HydrophobicContact CB-CG2 4.46Å; P233-F248 HydrophobicContact CG-CE1 4.1Å; P233-F248 HydrophobicContact CG-CZ 4.16Å; P233-L249 HydrophobicContact CG-CD1 4.14Å; P233-T256 HydrophobicContact CB-CG2 4.24Å; P233-T256 WeakPolarHBondContact O-CB 3.47Å; P233-T256 WeakPolarHBondContact O-CG2 3.42Å; P233-T256 PolarHBondContact O-OG1 3.49Å
234E98.3Very high89.4Confident57 Ų5746.3 Ų46.327%0.26627%0.267SS..SBendtrans-91.6-31.3177.2-67.5177.2-178.800111.5P92 V93 H94 D232 E257 Y279P92-E234 WeakPolarHBondContact CA-OE2 3.19Å; P92-E234 HydrophobicContact CB-CB 3.95Å; V93-E234 PolarHBondContact N-OE2 2.95Å; H94-E234 PolarHBondContact O-N 2.81Å; D232-E234 PolarHBondContact O-N 3.35Å; E234-E257 PolarHBondContact O-N 3.33Å; E234-Y279 HydrophobicContact CB-CE2 4Å; E234-Y279 WeakPolarHBondContact CB-OH 3.17Å; E234-Y279 PolarHBondContact OE2-OH 3.02Å
235L98.7Very high89.7Confident0 Ų048.1 Ų48.10%028%0.279CS..EExtended strand (participates in β ladder)trans-130.3135.7176.6174.962000110.2P92 H94 I95 G96 V237 E257 V259 L276 Y279P92-L235 HydrophobicContact CB-CB 3.92Å; P92-L235 HydrophobicContact CG-CB 4.05Å; P92-L235 HydrophobicContact CG-CD2 4.1Å; H94-L235 PolarHBondContact O-N 3.47Å; I95-L235 CarbonylContact C-O 3.58Å; I95-L235 VanDerWaalsContact CA-O 3.29Å; I95-L235 WeakPolarHBondContact CA-O 3.43Å; I95-L235 HydrophobicContact CD1-CD2 3.87Å; I95-L235 HydrophobicContact CD1-CG 4.34Å; I95-L235 HydrophobicContact CG1-CB 4.25Å; I95-L235 HydrophobicContact CG1-CD2 4.19Å; I95-L235 HydrophobicContact CG1-CG 4.14Å; G96-L235 PolarHBondContact N-O 3.46Å; L235-V237 HydrophobicContact CD2-CG2 4.34Å; L235-V237 HydrophobicContact CG-CG2 4.35Å; L235-E257 CarbonylContact C-O 3.56Å; L235-E257 WeakPolarHBondContact CA-O 3.36Å; L235-E257 HydrophobicContact CD1-CB 4.3Å; L235-V259 HydrophobicContact CD1-CB 4.36Å; L235-V259 HydrophobicContact CD1-CG2 3.83Å; L235-L276 HydrophobicContact CD2-CD2 3.87Å; L235-Y279 HydrophobicContact CB-CD2 4.07Å; L235-Y279 HydrophobicContact CB-CG 4.33Å; L235-Y279 HydrophobicContact CD2-CG 4.39Å
236V98.8Very high90.4Very high1 Ų147.3 Ų47.31%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-116.8125.4165.7164.50000109.9G96 V98 P233 K238 F248 T256 E257 F258 V259G96-V236 CarbonylContact O-C 3.59Å; G96-V236 VanDerWaalsContact O-CA 3.27Å; G96-V236 WeakPolarHBondContact O-CA 3.41Å; V98-V236 HydrophobicContact CB-CG1 4.08Å; V98-V236 HydrophobicContact CG2-CG1 3.61Å; P233-V236 HydrophobicContact CB-CG2 4.46Å; V236-K238 HydrophobicContact CG1-CB 4.45Å; V236-F248 HydrophobicContact CG2-CD1 4.06Å; V236-F248 HydrophobicContact CG2-CE1 3.42Å; V236-F248 VanDerWaalsContact CG2-CE1 3.42Å; V236-F248 HydrophobicContact CG2-CZ 4.09Å; V236-T256 HydrophobicContact CB-CG2 3.96Å; V236-T256 HydrophobicContact CG2-CG2 3.54Å; V236-E257 PolarHBondContact N-O 3.04Å; V236-F258 HydrophobicContact CB-CD1 3.67Å; V236-F258 HydrophobicContact CB-CE1 3.68Å; V236-F258 HydrophobicContact CB-CG 4.5Å; V236-F258 HydrophobicContact CB-CZ 4.5Å; V236-F258 HydrophobicContact CG1-CD1 3.64Å; V236-F258 HydrophobicContact CG1-CE1 3.68Å; V236-F258 HydrophobicContact CG2-CE1 4.07Å; V236-F258 WeakPolarHBondContact O-CA 3.49Å; V236-V259 PolarHBondContact O-N 3.45Å
237V98.7Very high91.7Very high0 Ų044.8 Ų44.80%027%0.274CS..EExtended strand (participates in β ladder)trans-96.9109.7167.5-171.20000108.2I95 G96 L97 V98 L235 F239 V259 L261 L272 A275I95-V237 HydrophobicContact CD1-CG2 3.95Å; I95-V237 HydrophobicContact CG1-CG2 4.41Å; G96-V237 PolarHBondContact O-N 3.43Å; L97-V237 HydrophobicContact CD2-CB 4.15Å; L97-V237 HydrophobicContact CD2-CG2 4.5Å; V98-V237 PolarHBondContact N-O 2.83Å; L235-V237 HydrophobicContact CD2-CG2 4.34Å; L235-V237 HydrophobicContact CG-CG2 4.35Å; V237-F239 HydrophobicContact CB-CE2 4.23Å; V237-F239 HydrophobicContact CB-CZ 4.09Å; V237-F239 HydrophobicContact CG1-CE1 3.8Å; V237-F239 HydrophobicContact CG1-CE2 3.94Å; V237-F239 HydrophobicContact CG1-CZ 3.42Å; V237-F239 VanDerWaalsContact CG1-CZ 3.42Å; V237-F239 WeakPolarHBondContact O-CE2 3.27Å; V237-V259 CarbonylContact C-O 3.6Å; V237-V259 WeakPolarHBondContact CA-O 3.23Å; V237-L261 HydrophobicContact CG1-CD1 3.72Å; V237-L261 HydrophobicContact CG1-CG 4.03Å; V237-L272 HydrophobicContact CG2-CD1 4.36Å; V237-A275 HydrophobicContact CG2-CB 4.07Å
238K98.5Very high93.8Very high12 Ų1239.3 Ų39.35%0.05224%0.236CC..EExtended strand (participates in β ladder)trans-100123.2-177.6-173.6-15767.466.50110.5V98 V236 G240 V242 V259 S260 L261V98-K238 HydrophobicContact CB-CG 4.45Å; V98-K238 HydrophobicContact CG1-CG 4.18Å; V98-K238 CarbonylContact O-C 3.58Å; V98-K238 WeakPolarHBondContact O-CA 3.23Å; V236-K238 HydrophobicContact CG1-CB 4.45Å; K238-G240 PolarHBondContact NZ-O 3.05Å; K238-V242 WeakPolarHBondContact CD-O 3.47Å; K238-V242 WeakPolarHBondContact CE-O 3.12Å; K238-V242 PolarHBondContact NZ-O 3.29Å; K238-V259 PolarHBondContact N-O 3.14Å; K238-S260 WeakPolarHBondContact CE-OG 3.47Å; K238-S260 CarbonylContact O-C 3.51Å; K238-S260 WeakPolarHBondContact O-CA 3.31Å; K238-L261 PolarHBondContact O-N 3.17Å
239F98.4Very high95.4Very high0 Ų037.3 Ų37.30%023%0.228CC..EExtended strand (participates in β ladder)trans-101.8139.9-179.8-55.6-81.6000111.9L97 V98 V99 A100 M112 V237 L261 S263 H264 V267L97-F239 HydrophobicContact CB-CE2 4.26Å; L97-F239 HydrophobicContact CD2-CE2 4.21Å; L97-F239 HydrophobicContact CD2-CZ 4.43Å; V98-F239 PolarHBondContact O-N 3.47Å; V99-F239 HydrophobicContact CG2-CD2 4.19Å; A100-F239 VanDerWaalsContact CB-O 3.26Å; A100-F239 WeakPolarHBondContact CB-O 3.27Å; A100-F239 PolarHBondContact N-O 3.43Å; M112-F239 HydrophobicContact CE-CE1 4.39Å; M112-F239 HydrophobicContact CE-CZ 4.24Å; M112-F239 HydrophobicContact SD-CE1 3.76Å; M112-F239 HydrophobicContact SD-CE2 4.07Å; M112-F239 HydrophobicContact SD-CZ 3.28Å; M112-F239 WeakPolarHBondContact SD-CZ 3.41Å; V237-F239 HydrophobicContact CB-CE2 4.23Å; V237-F239 HydrophobicContact CB-CZ 4.09Å; V237-F239 HydrophobicContact CG1-CE1 3.8Å; V237-F239 HydrophobicContact CG1-CE2 3.94Å; V237-F239 HydrophobicContact CG1-CZ 3.42Å; V237-F239 VanDerWaalsContact CG1-CZ 3.42Å; V237-F239 WeakPolarHBondContact O-CE2 3.27Å; F239-L261 WeakPolarHBondContact CA-O 3.3Å; F239-L261 HydrophobicContact CD1-CB 3.78Å; F239-L261 HydrophobicContact CD1-CD1 4.35Å; F239-L261 HydrophobicContact CE1-CB 3.96Å; F239-L261 HydrophobicContact CE1-CD1 3.65Å; F239-L261 HydrophobicContact CE1-CG 4.35Å; F239-L261 HydrophobicContact CZ-CD1 4.43Å; F239-S263 WeakPolarHBondContact CD1-O 3.44Å; F239-H264 HydrophobicContact CB-CB 3.76Å; F239-H264 VanDerWaalsContact CD1-CA 3.44Å; F239-H264 HydrophobicContact CD1-CB 3.71Å; F239-H264 HydrophobicContact CD2-CB 4.02Å; F239-H264 HydrophobicContact CE1-CB 4.28Å; F239-H264 HydrophobicContact CG-CB 3.55Å; F239-V267 HydrophobicContact CD1-CG2 4.33Å; F239-V267 HydrophobicContact CE1-CG2 3.91Å
240G97Very high96.4Very high5 Ų534.5 Ų34.55%0.05222%0.216CC..SBendtrans101.8172175.800000114.5K238 V242 L261 P262K238-G240 PolarHBondContact NZ-O 3.05Å; G240-V242 VanDerWaalsContact C-N 3.32Å; G240-V242 PolarHBondContact O-N 3.35Å; G240-L261 PolarHBondContact N-O 3.19Å; G240-L261 VanDerWaalsContact N-O 3.1Å; G240-P262 VanDerWaalsContact CA-O 3.28Å; G240-P262 WeakPolarHBondContact CA-O 3.13Å; G240-P262 PolarHBondContact N-O 2.73Å
241A94.4Very high96.8Very high98 Ų9836.2 Ų36.281%0.8122%0.22SC*.SBendtrans-79.8-8-172.700000114.9
242V95.8Very high97Very high61 Ų6135.6 Ų35.637%0.3721%0.214SC..  trans-77.5124.7-178.2-178.70000109.8A100 K238 G240 S244 L246A100-V242 HydrophobicContact CB-CB 3.98Å; A100-V242 HydrophobicContact CB-CG2 4.33Å; K238-V242 WeakPolarHBondContact CD-O 3.47Å; K238-V242 WeakPolarHBondContact CE-O 3.12Å; K238-V242 PolarHBondContact NZ-O 3.29Å; G240-V242 VanDerWaalsContact C-N 3.32Å; G240-V242 PolarHBondContact O-N 3.35Å; V242-S244 VanDerWaalsContact C-N 3.33Å; V242-S244 PolarHBondContact O-N 2.92Å; V242-L246 HydrophobicContact CG1-CD1 4.47Å; V242-L246 HydrophobicContact CG1-CD2 4.07Å; V242-L246 HydrophobicContact CG1-CG 4.35Å
243N95.3Very high97.1Very high154 Ų15435.5 Ų35.582%0.82421%0.214SC*.  trans-91.865.3175.3-67.1-24.3000110.4
244S96.8Very high97.1Very high57 Ų5741.9 Ų41.940%0.39924%0.237SC..SBendtrans-155.8154178.3-179.80000109.5V242 L246V242-S244 VanDerWaalsContact C-N 3.33Å; V242-S244 PolarHBondContact O-N 2.92Å; S244-L246 PolarHBondContact OG-N 3.35Å; S244-L246 VanDerWaalsContact OG-N 3.14Å
245T96.8Very high97Very high46 Ų4643.8 Ų43.828%0.28225%0.249SC..  trans-80.2-7.6171.161.50000112.5G247 F248 I253 F258T245-G247 PolarHBondContact O-N 2.84Å; T245-F248 VanDerWaalsContact O-CB 3.27Å; T245-F248 WeakPolarHBondContact O-CB 3.35Å; T245-F248 PolarHBondContact O-N 3.06Å; T245-I253 HydrophobicContact CG2-CD1 3.96Å; T245-F258 HydrophobicContact CG2-CE1 3.68Å; T245-F258 HydrophobicContact CG2-CZ 3.92Å
246L96.9Very high97Very high49 Ų4944.3 Ų44.326%0.25725%0.252SS..THydrogen-bonded Turntrans54.420178.7-63.8176.8000115.3A100 Y127 H129 V242 S244A100-L246 HydrophobicContact CB-CD1 3.54Å; Y127-L246 HydrophobicContact CE1-CB 4.41Å; Y127-L246 PolarHBondContact OH-O 3.43Å; H129-L246 HydrophobicContact CB-CB 3.78Å; H129-L246 HydrophobicContact CB-CD1 4.04Å; H129-L246 HydrophobicContact CB-CG 4.47Å; V242-L246 HydrophobicContact CG1-CD1 4.47Å; V242-L246 HydrophobicContact CG1-CD2 4.07Å; V242-L246 HydrophobicContact CG1-CG 4.35Å; S244-L246 PolarHBondContact OG-N 3.35Å; S244-L246 VanDerWaalsContact OG-N 3.14Å
247G96.4Very high97Very high25 Ų2547.1 Ų47.126%0.25827%0.265SS..THydrogen-bonded Turntrans98.88.1-179.700000114.5T245 L249T245-G247 PolarHBondContact O-N 2.84Å; G247-L249 PolarHBondContact O-N 3.22Å
248F97.8Very high96.9Very high0 Ų051 Ų510%028%0.282CS..SBendtrans-58115.2172.1-178.8-101.9000111.4V98 Y127 L185 P233 V236 T245 P250 I253V98-F248 HydrophobicContact CG2-CB 4.08Å; V98-F248 HydrophobicContact CG2-CD1 3.96Å; V98-F248 HydrophobicContact CG2-CD2 3.63Å; V98-F248 HydrophobicContact CG2-CE1 4.3Å; V98-F248 HydrophobicContact CG2-CE2 3.94Å; V98-F248 HydrophobicContact CG2-CG 3.62Å; V98-F248 HydrophobicContact CG2-CZ 4.28Å; Y127-F248 VanDerWaalsContact CB-CD2 3.48Å; Y127-F248 HydrophobicContact CD1-CB 4.15Å; Y127-F248 HydrophobicContact CD1-CD2 4.03Å; Y127-F248 AromaticContact CD2-CD2 3.78Å; Y127-F248 HydrophobicContact CD2-CD2 3.78Å; Y127-F248 HydrophobicContact CE1-CB 4.13Å; Y127-F248 HydrophobicContact CE2-CB 4.48Å; Y127-F248 HydrophobicContact CE2-CD2 4.48Å; Y127-F248 HydrophobicContact CG-CB 4.36Å; Y127-F248 AromaticContact CG-CD2 3.51Å; Y127-F248 HydrophobicContact CG-CD2 3.51Å; Y127-F248 HydrophobicContact CG-CE2 4.3Å; Y127-F248 HydrophobicContact CG-CG 4.4Å; L185-F248 HydrophobicContact CD1-CD2 4.41Å; L185-F248 HydrophobicContact CD1-CE2 3.76Å; L185-F248 HydrophobicContact CD1-CZ 4.46Å; P233-F248 HydrophobicContact CG-CE1 4.1Å; P233-F248 HydrophobicContact CG-CZ 4.16Å; V236-F248 HydrophobicContact CG2-CD1 4.06Å; V236-F248 HydrophobicContact CG2-CE1 3.42Å; V236-F248 VanDerWaalsContact CG2-CE1 3.42Å; V236-F248 HydrophobicContact CG2-CZ 4.09Å; T245-F248 VanDerWaalsContact O-CB 3.27Å; T245-F248 WeakPolarHBondContact O-CB 3.35Å; T245-F248 PolarHBondContact O-N 3.06Å; F248-P250 VanDerWaalsContact O-N 3.14Å; F248-I253 HydrophobicContact CD1-CG2 3.66Å; F248-I253 HydrophobicContact CE1-CG2 3.66Å; F248-I253 WeakPolarHBondContact O-CD1 3.23Å
249L96.6Very high96.9Very high16 Ų1651.4 Ų51.48%0.08429%0.285CS..  trans29.262.2171.1-61.1-175.2000116.7L185 D189 P233 G247 W251 H252 I253L185-L249 HydrophobicContact CD1-CD1 3.62Å; L185-L249 HydrophobicContact CD1-CD2 4.1Å; L185-L249 HydrophobicContact CD1-CG 3.84Å; D189-L249 HydrophobicContact CB-CD2 4.22Å; D189-L249 WeakPolarHBondContact O-CD2 3.44Å; P233-L249 HydrophobicContact CG-CD1 4.14Å; G247-L249 PolarHBondContact O-N 3.22Å; L249-W251 PolarHBondContact O-N 3.47Å; L249-H252 HydrophobicContact CB-CB 4.07Å; L249-H252 HydrophobicContact CD1-CB 4.45Å; L249-H252 PolarHBondContact O-N 2.88Å; L249-I253 HydrophobicContact CB-CG2 4.35Å; L249-I253 WeakPolarHBondContact O-CG1 3.21Å; L249-I253 PolarHBondContact O-N 3.28Å
250P97.3Very high96.9Very high52 Ų5254.9 Ų54.934%0.33831%0.309SS..THydrogen-bonded Turntrans-58.7-30.3-167.9-25.936000115.4K191 F248K191-P250 HydrophobicContact CG-CG 4.19Å; F248-P250 VanDerWaalsContact O-N 3.14Å
251W96.4Very high96.9Very high60 Ų6055.9 Ų55.923%0.22731%0.314CS..THydrogen-bonded Turntrans-72.3-43176.5-179.1-91.4000112.6I194 V217 L220 D221 L224 L249I194-W251 HydrophobicContact CD1-CB 4.03Å; V217-W251 HydrophobicContact CG1-CH2 4Å; V217-W251 HydrophobicContact CG1-CZ2 3.85Å; L220-W251 HydrophobicContact CB-CH2 4.27Å; L220-W251 HydrophobicContact CB-CZ2 4.31Å; L220-W251 HydrophobicContact CD2-CE3 4.26Å; L220-W251 HydrophobicContact CD2-CH2 3.6Å; L220-W251 HydrophobicContact CD2-CZ2 4.26Å; L220-W251 HydrophobicContact CD2-CZ3 3.6Å; L220-W251 HydrophobicContact CG-CH2 4.04Å; L220-W251 HydrophobicContact CG-CZ2 4.2Å; L220-W251 HydrophobicContact CG-CZ3 4.35Å; D221-W251 HydrophobicContact CB-CZ2 4.4Å; D221-W251 PolarHBondContact OD1-NE1 2.96Å; L224-W251 HydrophobicContact CD1-CB 4.01Å; L224-W251 HydrophobicContact CD1-CD2 3.63Å; L224-W251 HydrophobicContact CD1-CE3 4.28Å; L224-W251 HydrophobicContact CD1-CG 3.47Å; L224-W251 VanDerWaalsContact CD1-CG 3.47Å; L249-W251 PolarHBondContact O-N 3.47Å
252H96Very high97Very high22 Ų2254.6 Ų54.610%0.10230%0.297CS..G310 helixtrans-78.8-25.5-170.5-50.890.4000112D232 L249 R254D232-H252 HydrophobicContact CB-CB 4.41Å; D232-H252 WeakPolarHBondContact CB-O 3.47Å; D232-H252 IonicContact OD1-CD2 3.53Å; D232-H252 PolarHBondContact OD1-CD2 2.9Å; D232-H252 VanDerWaalsContact OD1-CD2 3.31Å; D232-H252 IonicContact OD1-CG 2.94Å; L249-H252 HydrophobicContact CB-CB 4.07Å; L249-H252 HydrophobicContact CD1-CB 4.45Å; L249-H252 PolarHBondContact O-N 2.88Å; H252-R254 VanDerWaalsContact C-N 3.26Å; H252-R254 PolarHBondContact O-N 3.24Å; H252-R254 VanDerWaalsContact O-N 3.17Å
253I97.2Very high97.1Very high27 Ų2753.2 Ų53.214%0.13829%0.29CS..G310 helixtrans-84.718.9-172.762.5170.5000116.2T245 F248 L249 L255 T256 F258T245-I253 HydrophobicContact CG2-CD1 3.96Å; F248-I253 HydrophobicContact CD1-CG2 3.66Å; F248-I253 HydrophobicContact CE1-CG2 3.66Å; F248-I253 WeakPolarHBondContact O-CD1 3.23Å; L249-I253 HydrophobicContact CB-CG2 4.35Å; L249-I253 WeakPolarHBondContact O-CG1 3.21Å; L249-I253 PolarHBondContact O-N 3.28Å; I253-L255 PolarHBondContact O-N 3.33Å; I253-T256 WeakPolarHBondContact CA-OG1 3.23Å; I253-T256 PolarHBondContact O-N 2.99Å; I253-F258 HydrophobicContact CB-CZ 4.19Å; I253-F258 HydrophobicContact CD1-CZ 3.94Å
254R96.3Very high97.2Very high138 Ų13845.9 Ų45.952%0.52125%0.251SS..G310 helixtrans-63.5-23.5-173.359.1170.3-177-118.8-6.1114.8D221 D232 H252D221-R254 IonicContact OD1-NH1 3.89Å; D232-R254 IonicContact OD2-NH2 3.54Å; H252-R254 VanDerWaalsContact C-N 3.26Å; H252-R254 PolarHBondContact O-N 3.24Å; H252-R254 VanDerWaalsContact O-N 3.17Å
255L97Very high97.2Very high96 Ų9646.7 Ų46.750%0.50325%0.247SC..G310 helixtrans-128.111.9-179.9-65.4175000112.5I253 Q284 L286I253-L255 PolarHBondContact O-N 3.33Å; L255-Q284 PolarHBondContact O-NE2 3.21Å; L255-L286 HydrophobicContact CD1-CD2 3.84Å; L255-L286 HydrophobicContact CD2-CD2 4.11Å
256T98.3Very high97.1Very high11 Ų1151.4 Ų51.47%0.06727%0.271CS..  trans-74.5133.2-176.4-53.90000111P233 V236 I253 F258P233-T256 HydrophobicContact CB-CG2 4.24Å; P233-T256 WeakPolarHBondContact O-CB 3.47Å; P233-T256 WeakPolarHBondContact O-CG2 3.42Å; P233-T256 PolarHBondContact O-OG1 3.49Å; V236-T256 HydrophobicContact CB-CG2 3.96Å; V236-T256 HydrophobicContact CG2-CG2 3.54Å; I253-T256 WeakPolarHBondContact CA-OG1 3.23Å; I253-T256 PolarHBondContact O-N 2.99Å; T256-F258 HydrophobicContact CG2-CE2 4.3Å; T256-F258 HydrophobicContact CG2-CZ 4.28Å; T256-F258 VanDerWaalsContact O-CD2 3.25Å; T256-F258 WeakPolarHBondContact O-CD2 3.38Å; T256-F258 VanDerWaalsContact O-CE2 3.27Å; T256-F258 WeakPolarHBondContact O-CE2 3.31Å
257E98.4Very high97.1Very high60 Ų6049.7 Ų49.728%0.2826%0.262SS..EExtended strand (participates in β ladder)trans-78.7141.6169.7-65.8-59.1149.500110.6E234 L235 V236 Y279 C282E234-E257 PolarHBondContact O-N 3.33Å; L235-E257 CarbonylContact C-O 3.56Å; L235-E257 WeakPolarHBondContact CA-O 3.36Å; L235-E257 HydrophobicContact CD1-CB 4.3Å; V236-E257 PolarHBondContact N-O 3.04Å; E257-Y279 HydrophobicContact CB-CD2 4.08Å; E257-Y279 HydrophobicContact CG-CD2 4.02Å; E257-Y279 HydrophobicContact CG-CE2 4.31Å; E257-C282 HydrophobicContact CG-CB 4.24Å
258F98.3Very high97.1Very high83 Ų8350.8 Ų50.836%0.36427%0.266SS..EExtended strand (participates in β ladder)trans-117.3117.3-178-71.2-91.4000111.5V236 T245 I253 T256V236-F258 HydrophobicContact CB-CD1 3.67Å; V236-F258 HydrophobicContact CB-CE1 3.68Å; V236-F258 HydrophobicContact CB-CG 4.5Å; V236-F258 HydrophobicContact CB-CZ 4.5Å; V236-F258 HydrophobicContact CG1-CD1 3.64Å; V236-F258 HydrophobicContact CG1-CE1 3.68Å; V236-F258 HydrophobicContact CG2-CE1 4.07Å; V236-F258 WeakPolarHBondContact O-CA 3.49Å; T245-F258 HydrophobicContact CG2-CE1 3.68Å; T245-F258 HydrophobicContact CG2-CZ 3.92Å; I253-F258 HydrophobicContact CB-CZ 4.19Å; I253-F258 HydrophobicContact CD1-CZ 3.94Å; T256-F258 HydrophobicContact CG2-CE2 4.3Å; T256-F258 HydrophobicContact CG2-CZ 4.28Å; T256-F258 VanDerWaalsContact O-CD2 3.25Å; T256-F258 WeakPolarHBondContact O-CD2 3.38Å; T256-F258 VanDerWaalsContact O-CE2 3.27Å; T256-F258 WeakPolarHBondContact O-CE2 3.31Å
259V98.2Very high97.1Very high20 Ų2051.6 Ų51.612%0.12127%0.269CS..EExtended strand (participates in β ladder)trans-108.1128.61701790000109L235 V236 V237 K238 A275 H278L235-V259 HydrophobicContact CD1-CB 4.36Å; L235-V259 HydrophobicContact CD1-CG2 3.83Å; V236-V259 PolarHBondContact O-N 3.45Å; V237-V259 CarbonylContact C-O 3.6Å; V237-V259 WeakPolarHBondContact CA-O 3.23Å; K238-V259 PolarHBondContact N-O 3.14Å; V259-A275 HydrophobicContact CB-CB 4.03Å; V259-A275 HydrophobicContact CG1-CB 3.65Å; V259-A275 HydrophobicContact CG2-CB 4.31Å; V259-H278 HydrophobicContact CG2-CB 4.18Å
260S97.8Very high97.2Very high72 Ų7255.1 Ų55.150%0.50329%0.285SS..EExtended strand (participates in β ladder)trans-105.4123.5-178.3-66.50000111.6K238K238-S260 WeakPolarHBondContact CE-OG 3.47Å; K238-S260 CarbonylContact O-C 3.51Å; K238-S260 WeakPolarHBondContact O-CA 3.31Å
261L97.4Very high97.2Very high27 Ų2756.3 Ų56.314%0.14129%0.289CS..EExtended strand (participates in β ladder)trans-107.2146171-66.9-179.6000110.2V237 K238 F239 G240 S263 D271V237-L261 HydrophobicContact CG1-CD1 3.72Å; V237-L261 HydrophobicContact CG1-CG 4.03Å; K238-L261 PolarHBondContact O-N 3.17Å; F239-L261 WeakPolarHBondContact CA-O 3.3Å; F239-L261 HydrophobicContact CD1-CB 3.78Å; F239-L261 HydrophobicContact CD1-CD1 4.35Å; F239-L261 HydrophobicContact CE1-CB 3.96Å; F239-L261 HydrophobicContact CE1-CD1 3.65Å; F239-L261 HydrophobicContact CE1-CG 4.35Å; F239-L261 HydrophobicContact CZ-CD1 4.43Å; G240-L261 PolarHBondContact N-O 3.19Å; G240-L261 VanDerWaalsContact N-O 3.1Å; L261-S263 VanDerWaalsContact C-N 3.3Å; L261-S263 PolarHBondContact O-N 2.82Å; L261-D271 HydrophobicContact CD1-CB 4.35Å
262P96.4Very high97.3Very high71 Ų7153.5 Ų53.546%0.46128%0.278SS..SBendtrans-67-30.5-17226.8-35.5000113.6G240G240-P262 VanDerWaalsContact CA-O 3.28Å; G240-P262 WeakPolarHBondContact CA-O 3.13Å; G240-P262 PolarHBondContact N-O 2.73Å
263S97.6Very high97.4Very high31 Ų3153.2 Ų53.222%0.21728%0.276CS..  trans-155.7153.1177.2-1720000109.8E101 F239 L261 K265 V267E101-S263 VanDerWaalsContact CD-OG 3.28Å; E101-S263 WeakPolarHBondContact OE1-CB 3.47Å; E101-S263 PolarHBondContact OE1-OG 3.47Å; E101-S263 WeakPolarHBondContact OE2-CA 3.11Å; E101-S263 PolarHBondContact OE2-OG 3.33Å; E101-S263 VanDerWaalsContact OE2-OG 3.11Å; F239-S263 WeakPolarHBondContact CD1-O 3.44Å; L261-S263 VanDerWaalsContact C-N 3.3Å; L261-S263 PolarHBondContact O-N 2.82Å; S263-K265 VanDerWaalsContact C-N 3.33Å; S263-K265 PolarHBondContact OG-N 3.07Å; S263-V267 VanDerWaalsContact O-CG2 3.23Å; S263-V267 WeakPolarHBondContact O-CG2 3.38Å
264H97.4Very high97.5Very high0 Ų053.3 Ų53.30%028%0.284CS..SBendtrans-82-14.9169.870.6-73.2000112.4V99 E101 E103 S105 D108 I109 M112 F239 V267V99-H264 HydrophobicContact CG1-CB 4.43Å; V99-H264 WeakPolarHBondContact CG1-ND1 3.15Å; E101-H264 IonicContact OE2-CE1 3.28Å; E101-H264 IonicContact OE2-CG 3.07Å; E101-H264 PolarHBondContact OE2-N 3.03Å; E101-H264 IonicContact OE2-ND1 2.67Å; E101-H264 PolarHBondContact OE2-ND1 3.24Å; E103-H264 PolarHBondContact O-CE1 3.11Å; E103-H264 PolarHBondContact O-NE2 3.06Å; S105-H264 PolarHBondContact N-NE2 3.06Å; D108-H264 VanDerWaalsContact CB-O 3.24Å; D108-H264 WeakPolarHBondContact CB-O 3.39Å; I109-H264 HydrophobicContact CD1-CB 4.12Å; M112-H264 HydrophobicContact CE-CB 4.01Å; M112-H264 VanDerWaalsContact CE-O 3.29Å; M112-H264 WeakPolarHBondContact CE-O 3.04Å; F239-H264 HydrophobicContact CB-CB 3.76Å; F239-H264 VanDerWaalsContact CD1-CA 3.44Å; F239-H264 HydrophobicContact CD1-CB 3.71Å; F239-H264 HydrophobicContact CD2-CB 4.02Å; F239-H264 HydrophobicContact CE1-CB 4.28Å; F239-H264 HydrophobicContact CG-CB 3.55Å; H264-V267 VanDerWaalsContact O-CG2 3.29Å; H264-V267 WeakPolarHBondContact O-CG2 2.92Å
265K97.3Very high97.6Very high74 Ų7446.9 Ų46.932%0.32226%0.26SS..THydrogen-bonded Turntrans-77.4133-177.5-63.6-178.9176.5-176.70110.9E103 S263 V267E103-K265 VanDerWaalsContact O-CE 3.27Å; E103-K265 WeakPolarHBondContact O-CE 3.06Å; E103-K265 IonicContact OE2-NZ 3.51Å; E103-K265 PolarHBondContact OE2-NZ 3.37Å; S263-K265 VanDerWaalsContact C-N 3.33Å; S263-K265 PolarHBondContact OG-N 3.07Å; K265-V267 PolarHBondContact O-N 3.48Å
266N94.8Very high97.6Very high146 Ų14642.3 Ų42.378%0.78124%0.237SC*.THydrogen-bonded Turntrans55.533.5-178.7-51.7-50000113.2D108 S268D108-N266 WeakPolarHBondContact OD1-CA 3.01Å; D108-N266 PolarHBondContact OD1-N 3.15Å; D108-N266 PolarHBondContact OD2-N 2.9Å; N266-S268 PolarHBondContact O-N 3.25Å
267V95.8Very high97.6Very high12 Ų1246.6 Ų46.67%0.07326%0.256CS..  trans-66128.6172.7169.90000107.9M112 W115 F239 S263 H264 K265 D271M112-V267 HydrophobicContact CE-CB 3.92Å; M112-V267 HydrophobicContact CE-CG1 4.37Å; M112-V267 HydrophobicContact CE-CG2 3.99Å; M112-V267 HydrophobicContact CG-CG1 4.21Å; M112-V267 HydrophobicContact SD-CB 4.12Å; M112-V267 HydrophobicContact SD-CG1 3.9Å; M112-V267 HydrophobicContact SD-CG2 4.28Å; W115-V267 VanDerWaalsContact CH2-O 3.23Å; W115-V267 WeakPolarHBondContact CH2-O 3.46Å; W115-V267 HydrophobicContact CZ3-CG1 4.34Å; F239-V267 HydrophobicContact CD1-CG2 4.33Å; F239-V267 HydrophobicContact CE1-CG2 3.91Å; S263-V267 VanDerWaalsContact O-CG2 3.23Å; S263-V267 WeakPolarHBondContact O-CG2 3.38Å; H264-V267 VanDerWaalsContact O-CG2 3.29Å; H264-V267 WeakPolarHBondContact O-CG2 2.92Å; K265-V267 PolarHBondContact O-N 3.48Å; V267-D271 HydrophobicContact CG1-CB 4.03Å
268S97.1Very high97.6Very high48 Ų4849.2 Ų49.234%0.33627%0.268SS..  trans-85.3161.4173.871.90000111.1N266 E270 D271 L272N266-S268 PolarHBondContact O-N 3.25Å; S268-E270 PolarHBondContact O-N 3.41Å; S268-E270 PolarHBondContact OG-N 3.31Å; S268-D271 WeakPolarHBondContact CB-OD2 3.48Å; S268-D271 PolarHBondContact N-OD2 2.83Å; S268-D271 PolarHBondContact O-N 2.97Å; S268-D271 PolarHBondContact OG-N 2.88Å; S268-D271 PolarHBondContact OG-OD2 3.29Å; S268-L272 PolarHBondContact O-N 2.88Å
269Y97.5Very high97.6Very high17 Ų1745.6 Ų45.67%0.06725%0.252CS..Hα-helixtrans-54.7-39.8170.4173.6-103.2000111.9W81 D84 W115 V119 D271 L272 F273W81-Y269 HydrophobicContact CB-CE2 4.45Å; W81-Y269 AromaticContact CD1-CD1 3.89Å; W81-Y269 AromaticContact CD1-CD2 3.73Å; W81-Y269 AromaticContact CD1-CE1 3.45Å; W81-Y269 VanDerWaalsContact CD1-CE1 3.45Å; W81-Y269 AromaticContact CD1-CE2 3.29Å; W81-Y269 AromaticContact CD1-CZ 3.14Å; W81-Y269 HydrophobicContact CD2-CE2 4.49Å; W81-Y269 HydrophobicContact CG-CD2 4.42Å; W81-Y269 AromaticContact CG-CE2 3.87Å; W81-Y269 HydrophobicContact CG-CE2 3.87Å; W81-Y269 AromaticContact CG-CZ 3.98Å; W81-Y269 AromaticContact NE1-CD1 3.6Å; W81-Y269 AromaticContact NE1-CD2 3.45Å; W81-Y269 AromaticContact NE1-CE1 3.69Å; W81-Y269 AromaticContact NE1-CE2 3.56Å; W81-Y269 AromaticContact NE1-CG 3.48Å; W81-Y269 AromaticContact NE1-CZ 3.68Å; D84-Y269 VanDerWaalsContact CB-OH 3.26Å; D84-Y269 WeakPolarHBondContact CB-OH 3.32Å; D84-Y269 WeakPolarHBondContact OD2-CE1 3.41Å; D84-Y269 PolarHBondContact OD2-OH 3.04Å; W115-Y269 HydrophobicContact CB-CD2 4Å; W115-Y269 HydrophobicContact CB-CE2 4.29Å; W115-Y269 AromaticContact CD1-CD2 3.98Å; W115-Y269 HydrophobicContact CD2-CD2 4.02Å; W115-Y269 AromaticContact CG-CD2 3.73Å; W115-Y269 HydrophobicContact CG-CD2 3.73Å; W115-Y269 HydrophobicContact CG-CE2 4.44Å; V119-Y269 HydrophobicContact CG2-CE2 3.86Å; V119-Y269 WeakPolarHBondContact CG2-OH 3.49Å; Y269-D271 VanDerWaalsContact C-N 3.3Å; Y269-D271 PolarHBondContact O-N 3.46Å; Y269-L272 PolarHBondContact O-N 3.39Å; Y269-F273 HydrophobicContact CE1-CB 4.09Å; Y269-F273 HydrophobicContact CE1-CG 4.35Å; Y269-F273 WeakPolarHBondContact O-CB 3.42Å; Y269-F273 PolarHBondContact O-N 3.46Å
270E97.9Very high97.6Very high91 Ų9145.1 Ų45.143%0.42525%0.25SC..Hα-helixtrans-64.9-33.6-178.8-50.4-57.9160.600112.2R80 S268 G274R80-E270 IonicContact CZ-OE1 2.59Å; R80-E270 VanDerWaalsContact CZ-OE1 3.28Å; R80-E270 IonicContact NH1-OE1 2.63Å; R80-E270 PolarHBondContact NH1-OE1 3.27Å; R80-E270 IonicContact NH2-OE1 2.82Å; R80-E270 PolarHBondContact NH2-OE1 2.88Å; R80-E270 IonicContact NH2-OE2 3.53Å; R80-E270 PolarHBondContact NH2-OE2 3.41Å; S268-E270 PolarHBondContact O-N 3.41Å; S268-E270 PolarHBondContact OG-N 3.31Å; E270-G274 PolarHBondContact O-N 3.45Å
271D98.1Very high97.5Very high77 Ų7744.6 Ų44.641%0.41225%0.25SC..Hα-helixtrans-66.5-43.3176-63.3-57.2000111.4L261 V267 S268 Y269 A275L261-D271 HydrophobicContact CD1-CB 4.35Å; V267-D271 HydrophobicContact CG1-CB 4.03Å; S268-D271 WeakPolarHBondContact CB-OD2 3.48Å; S268-D271 PolarHBondContact N-OD2 2.83Å; S268-D271 PolarHBondContact O-N 2.97Å; S268-D271 PolarHBondContact OG-N 2.88Å; S268-D271 PolarHBondContact OG-OD2 3.29Å; Y269-D271 VanDerWaalsContact C-N 3.3Å; Y269-D271 PolarHBondContact O-N 3.46Å; D271-A275 PolarHBondContact O-N 3.1Å
272L98.4Very high97.5Very high1 Ų144.5 Ų44.51%0.00525%0.251CS..Hα-helixtrans-67.3-44.3175.7179.366.6000111I95 M112 W115 V237 S268 Y269 G274 A275 L276I95-L272 HydrophobicContact CD1-CD1 4.42Å; M112-L272 HydrophobicContact CB-CD2 4.47Å; W115-L272 HydrophobicContact CB-CD2 3.63Å; W115-L272 HydrophobicContact CE3-CB 4.42Å; W115-L272 HydrophobicContact CE3-CD2 3.9Å; W115-L272 HydrophobicContact CG-CD2 4.48Å; V237-L272 HydrophobicContact CG2-CD1 4.36Å; S268-L272 PolarHBondContact O-N 2.88Å; Y269-L272 PolarHBondContact O-N 3.39Å; L272-G274 VanDerWaalsContact C-N 3.3Å; L272-G274 PolarHBondContact O-N 3.36Å; L272-A275 WeakPolarHBondContact O-CB 3.37Å; L272-A275 PolarHBondContact O-N 2.92Å; L272-A275 VanDerWaalsContact O-N 3.08Å; L272-L276 PolarHBondContact O-N 3.14Å; L272-L276 VanDerWaalsContact O-N 3.11Å
273F98.3Very high97.4Very high15 Ų1549.1 Ų49.17%0.06627%0.266CS..Hα-helixtrans-63.5-37.5178.1-172.8-116.6000111.7D84 L88 Y269 A275 L276 Q277D84-F273 HydrophobicContact CB-CD2 4.21Å; D84-F273 HydrophobicContact CB-CE2 3.64Å; D84-F273 HydrophobicContact CB-CZ 3.8Å; L88-F273 HydrophobicContact CD1-CE2 3.95Å; L88-F273 HydrophobicContact CD2-CE2 3.99Å; L88-F273 HydrophobicContact CD2-CZ 4.02Å; L88-F273 HydrophobicContact CG-CE2 4.04Å; L88-F273 HydrophobicContact CG-CZ 4.4Å; Y269-F273 HydrophobicContact CE1-CB 4.09Å; Y269-F273 HydrophobicContact CE1-CG 4.35Å; Y269-F273 WeakPolarHBondContact O-CB 3.42Å; Y269-F273 PolarHBondContact O-N 3.46Å; F273-A275 VanDerWaalsContact C-N 3.27Å; F273-A275 PolarHBondContact O-N 2.83Å; F273-L276 HydrophobicContact CD2-CD1 4.37Å; F273-L276 CarbonylContact O-C 3.49Å; F273-L276 WeakPolarHBondContact O-CA 3.22Å; F273-L276 WeakPolarHBondContact O-CB 3.31Å; F273-L276 PolarHBondContact O-N 3.2Å; F273-Q277 HydrophobicContact CD1-CG 4.14Å; F273-Q277 HydrophobicContact CE1-CG 3.86Å; F273-Q277 VanDerWaalsContact CE1-NE2 3.27Å; F273-Q277 HydrophobicContact CZ-CG 4.07Å; F273-Q277 WeakPolarHBondContact O-CG 3.37Å; F273-Q277 PolarHBondContact O-N 3.39Å
274G98.4Very high97.2Very high30 Ų3051.2 Ų51.231%0.30927%0.272SS..Hα-helixtrans-59.4-35.6171.600000113.2E270 L272 H278E270-G274 PolarHBondContact O-N 3.45Å; L272-G274 VanDerWaalsContact C-N 3.3Å; L272-G274 PolarHBondContact O-N 3.36Å; G274-H278 PolarHBondContact O-N 3.44Å
275A98.4Very high97Very high2 Ų259.8 Ų59.82%0.01731%0.305CS..Hα-helixtrans-67.2-39172.500000112.3V237 V259 D271 L272 F273 H278 Y279V237-A275 HydrophobicContact CG2-CB 4.07Å; V259-A275 HydrophobicContact CB-CB 4.03Å; V259-A275 HydrophobicContact CG1-CB 3.65Å; V259-A275 HydrophobicContact CG2-CB 4.31Å; D271-A275 PolarHBondContact O-N 3.1Å; L272-A275 WeakPolarHBondContact O-CB 3.37Å; L272-A275 PolarHBondContact O-N 2.92Å; L272-A275 VanDerWaalsContact O-N 3.08Å; F273-A275 VanDerWaalsContact C-N 3.27Å; F273-A275 PolarHBondContact O-N 2.83Å; A275-H278 WeakPolarHBondContact O-CB 3.39Å; A275-H278 PolarHBondContact O-N 3.23Å; A275-Y279 PolarHBondContact O-N 3.33Å
276L98.5Very high96.9Very high0 Ų061.8 Ų61.80%032%0.318CS..Hα-helixtrans-67-40.4175.1-65.3173000112.1L88 L91 P92 I95 V119 L235 L272 F273 H278 Y279 S280L88-L276 HydrophobicContact CD1-CB 3.83Å; L91-L276 HydrophobicContact CD1-CD1 4.43Å; L91-L276 HydrophobicContact CD1-CD2 4.27Å; P92-L276 HydrophobicContact CG-CD2 3.74Å; I95-L276 HydrophobicContact CD1-CD2 4.26Å; V119-L276 HydrophobicContact CG1-CD1 3.91Å; L235-L276 HydrophobicContact CD2-CD2 3.87Å; L272-L276 PolarHBondContact O-N 3.14Å; L272-L276 VanDerWaalsContact O-N 3.11Å; F273-L276 HydrophobicContact CD2-CD1 4.37Å; F273-L276 CarbonylContact O-C 3.49Å; F273-L276 WeakPolarHBondContact O-CA 3.22Å; F273-L276 WeakPolarHBondContact O-CB 3.31Å; F273-L276 PolarHBondContact O-N 3.2Å; L276-H278 VanDerWaalsContact C-N 3.32Å; L276-H278 PolarHBondContact O-N 3.37Å; L276-Y279 PolarHBondContact O-N 3.35Å; L276-S280 WeakPolarHBondContact O-CB 3.36Å; L276-S280 PolarHBondContact O-N 3.08Å
277Q98.4Very high96.8Very high101 Ų10159 Ų5947%0.47232%0.324SS..Hα-helixtrans-61.1-41.5173-72.7-179.9-39.200111.6L88 F273 S280 A281L88-Q277 HydrophobicContact CD2-CB 4.44Å; L88-Q277 HydrophobicContact CD2-CG 3.75Å; F273-Q277 HydrophobicContact CD1-CG 4.14Å; F273-Q277 HydrophobicContact CE1-CG 3.86Å; F273-Q277 VanDerWaalsContact CE1-NE2 3.27Å; F273-Q277 HydrophobicContact CZ-CG 4.07Å; F273-Q277 WeakPolarHBondContact O-CG 3.37Å; F273-Q277 PolarHBondContact O-N 3.39Å; Q277-S280 WeakPolarHBondContact O-CB 3.47Å; Q277-S280 PolarHBondContact O-N 2.97Å; Q277-A281 PolarHBondContact O-N 3.06Å; Q277-A281 VanDerWaalsContact O-N 3.14Å
278H97.9Very high96.4Very high115 Ų11568 Ų6853%0.53237%0.365SS..Hα-helixtrans-60-49175.2-166.675.1000111.2V259 G274 A275 L276 S280 A281 C282V259-H278 HydrophobicContact CG2-CB 4.18Å; G274-H278 PolarHBondContact O-N 3.44Å; A275-H278 WeakPolarHBondContact O-CB 3.39Å; A275-H278 PolarHBondContact O-N 3.23Å; L276-H278 VanDerWaalsContact C-N 3.32Å; L276-H278 PolarHBondContact O-N 3.37Å; H278-S280 VanDerWaalsContact C-N 3.33Å; H278-S280 PolarHBondContact O-N 3.22Å; H278-A281 PolarHBondContact O-N 3.43Å; H278-C282 PolarHBondContact O-N 3.08Å; H278-C282 PolarHBondContact O-SG 3.47Å
279Y98.4Very high96.4Very high8 Ų869 Ų693%0.03137%0.366CS..Hα-helixtrans-58.1-44.6174.5172.3-99.1000112.3K90 P92 E234 L235 E257 A275 L276 A281 C282K90-Y279 HydrophobicContact CD-CE1 4.25Å; K90-Y279 WeakPolarHBondContact CE-O 3.24Å; K90-Y279 HydrophobicContact CG-CD1 4.4Å; K90-Y279 HydrophobicContact CG-CE1 4.03Å; P92-Y279 HydrophobicContact CB-CD1 4.1Å; P92-Y279 HydrophobicContact CB-CE1 3.73Å; P92-Y279 HydrophobicContact CB-CE2 4.47Å; P92-Y279 HydrophobicContact CG-CD1 4.09Å; P92-Y279 HydrophobicContact CG-CE1 4.16Å; P92-Y279 VanDerWaalsContact N-CE1 3.3Å; E234-Y279 HydrophobicContact CB-CE2 4Å; E234-Y279 WeakPolarHBondContact CB-OH 3.17Å; E234-Y279 PolarHBondContact OE2-OH 3.02Å; L235-Y279 HydrophobicContact CB-CD2 4.07Å; L235-Y279 HydrophobicContact CB-CG 4.33Å; L235-Y279 HydrophobicContact CD2-CG 4.39Å; E257-Y279 HydrophobicContact CB-CD2 4.08Å; E257-Y279 HydrophobicContact CG-CD2 4.02Å; E257-Y279 HydrophobicContact CG-CE2 4.31Å; A275-Y279 PolarHBondContact O-N 3.33Å; L276-Y279 PolarHBondContact O-N 3.35Å; Y279-A281 PolarHBondContact O-N 2.93Å; Y279-C282 WeakPolarHBondContact O-CB 3.42Å; Y279-C282 PolarHBondContact O-N 3.09Å
280S97.6Very high96.4Very high10 Ų1071.7 Ų71.77%0.0738%0.382CS..Hα-helixtrans-56.4-38.6-179.2-175.10000111.7E89 K90 L276 Q277 H278E89-S280 WeakPolarHBondContact CB-OG 3.49Å; E89-S280 PolarHBondContact N-OG 3.3Å; K90-S280 WeakPolarHBondContact CE-O 3.4Å; K90-S280 PolarHBondContact N-OG 3.02Å; K90-S280 WeakPolarHBondContact O-CB 3.33Å; L276-S280 WeakPolarHBondContact O-CB 3.36Å; L276-S280 PolarHBondContact O-N 3.08Å; Q277-S280 WeakPolarHBondContact O-CB 3.47Å; Q277-S280 PolarHBondContact O-N 2.97Å; H278-S280 VanDerWaalsContact C-N 3.33Å; H278-S280 PolarHBondContact O-N 3.22Å
281A96.9Very high96.3Very high61 Ų6170.7 Ų70.750%0.50438%0.38SS..Hα-helixtrans-81.8-11.217900000114.3Q277 H278 Y279 H283Q277-A281 PolarHBondContact O-N 3.06Å; Q277-A281 VanDerWaalsContact O-N 3.14Å; H278-A281 PolarHBondContact O-N 3.43Å; Y279-A281 PolarHBondContact O-N 2.93Å; A281-H283 PolarHBondContact O-CE1 3.01Å; A281-H283 PolarHBondContact O-ND1 3.08Å
282C95.9Very high96.2Very high24 Ų2470.3 Ų70.316%0.16238%0.378CS..  trans-68.2138.5-178.1-73.60000111.7K90 E257 H278 Y279K90-C282 WeakPolarHBondContact CE-O 3.3Å; K90-C282 PolarHBondContact NZ-O 3.49Å; E257-C282 HydrophobicContact CG-CB 4.24Å; H278-C282 PolarHBondContact O-N 3.08Å; H278-C282 PolarHBondContact O-SG 3.47Å; Y279-C282 WeakPolarHBondContact O-CB 3.42Å; Y279-C282 PolarHBondContact O-N 3.09Å
283H93.9Very high96Very high168 Ų16874.6 Ų74.678%0.77840%0.401SS*.  trans-109.9115.1176.5-7171.6000110.4A281A281-H283 PolarHBondContact O-CE1 3.01Å; A281-H283 PolarHBondContact O-ND1 3.08Å
284Q93.4Very high95.9Very high76 Ų7678.6 Ų78.636%0.35542%0.424SS..  trans-94.2110.9177.8-70.2176.4-35.900110L255 L286L255-Q284 PolarHBondContact O-NE2 3.21Å; Q284-L286 HydrophobicContact CB-CD2 4.27Å
285R95.1Very high95.7Very high180 Ų18082.1 Ų82.168%0.67943%0.432SS*.  trans-86.2-12.5-176.9-66.2-178.559.9169.71.2114.4G287 Q288R285-G287 PolarHBondContact O-N 2.82Å; R285-Q288 VanDerWaalsContact CZ-O 3.32Å; R285-Q288 PolarHBondContact NE-O 3.29Å; R285-Q288 PolarHBondContact NH2-O 3.29Å; R285-Q288 WeakPolarHBondContact O-CB 3.28Å; R285-Q288 PolarHBondContact O-N 3.49Å
286L93.3Very high95.5Very high116 Ų11688.2 Ų88.261%0.60746%0.464SS*.THydrogen-bonded Turntrans49.932.1175.4-52.9-179.9000114.4L255 Q284L255-L286 HydrophobicContact CD1-CD2 3.84Å; L255-L286 HydrophobicContact CD2-CD2 4.11Å; Q284-L286 HydrophobicContact CB-CD2 4.27Å
287G93.9Very high95.2Very high87 Ų8795.6 Ų95.690%0.89750%0.502SS*.THydrogen-bonded Turntrans82.89.6-179.600000116R285R285-G287 PolarHBondContact O-N 2.82Å
288Q87.9Confident94.9Very high201 Ų20195.1 Ų95.194%0.93951%0.505SS*.  trans-93.30176.7-57.7-178.9-2.800113.4R285R285-Q288 VanDerWaalsContact CZ-O 3.32Å; R285-Q288 PolarHBondContact NE-O 3.29Å; R285-Q288 PolarHBondContact NH2-O 3.29Å; R285-Q288 WeakPolarHBondContact O-CB 3.28Å; R285-Q288 PolarHBondContact O-N 3.49Å

Retrieved 288 of 288 residues in 130.2 ms (Link to these results)

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