A0A087Y883_POEFO Loading...

Protein phosphatase 1, regulatory subunit 13 like

AlphaFold DB , UniProt , Accession A0A087Y883, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 808 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
1M46.8Very low51.8Low237 Ų237127.5 Ų127.5100%1.16769%0.688SS**  093.70-7116563.600106.6
2S47Very low52.5Low109 Ų109128.8 Ų128.876%0.76268%0.683SS**  trans-150.22.2-161.6-38.90000115.4
3S45.8Very low53.5Low98 Ų98128.6 Ų128.669%0.68568%0.676SS**SBendtrans-116.1-7.4-166.4460000115.4
4Q48.8Very low54.7Low179 Ų179122.6 Ų122.684%0.83665%0.654SS**SBendtrans-90.3-15.4-179.7-77.7-175.5-28.500114.4S6Q4-S6 PolarHBondContact O-N 2.88Å
5T51.5Low56.1Low115 Ų115120.2 Ų120.271%0.70664%0.64SS**Hα-helixtrans-77.6-15.9-175.341.10000114.9
6S50.9Low57.4Low70 Ų70119.1 Ų119.149%0.4963%0.634SS.*Hα-helixtrans-77.3-43.7-179.6-166.70000112.7Q4 G8 N9Q4-S6 PolarHBondContact O-N 2.88Å; S6-G8 VanDerWaalsContact C-N 3.28Å; S6-G8 PolarHBondContact O-N 3.28Å; S6-N9 PolarHBondContact O-N 2.98Å
7Y51.3Low58.6Low190 Ų190115.9 Ų115.975%0.74562%0.624SS**Hα-helixtrans-69.5-21-173.5-74.1-81.2000114.2
8G51.9Low59.7Low33 Ų33115.6 Ų115.634%0.3462%0.622SS.*Hα-helixtrans-66.6-46.7174.800000112.9S6 F10 L11 F12S6-G8 VanDerWaalsContact C-N 3.28Å; S6-G8 PolarHBondContact O-N 3.28Å; G8-F10 PolarHBondContact O-N 2.92Å; G8-L11 PolarHBondContact O-N 3.13Å; G8-F12 PolarHBondContact O-N 3.42Å; G8-F12 VanDerWaalsContact O-N 3.07Å
9N55.3Low60.9Low114 Ų114114.7 Ų114.761%0.6162%0.616SS**Hα-helixtrans-63.7-40.5-172.8-77.924.6000113.1S6 L11 Q13S6-N9 PolarHBondContact O-N 2.98Å; N9-L11 VanDerWaalsContact C-N 3.31Å; N9-L11 PolarHBondContact O-N 3.34Å; N9-Q13 WeakPolarHBondContact O-CB 3.48Å; N9-Q13 WeakPolarHBondContact O-CG 3.36Å; N9-Q13 PolarHBondContact O-N 2.76Å
10F57.4Low62Low142 Ų142114.6 Ų114.662%0.62362%0.616SS**Hα-helixtrans-65.9-33.7177.5-72.9-78000112.7G8 A14G8-F10 PolarHBondContact O-N 2.92Å; F10-A14 WeakPolarHBondContact O-CB 3.34Å; F10-A14 PolarHBondContact O-N 3.37Å; F10-A14 VanDerWaalsContact O-N 3.08Å
11L63.3Low63.1Low115 Ų115111.7 Ų111.760%0.60261%0.607SS**Hα-helixtrans-74.8-40-179.1-136.5162000111.1G8 N9 A14 I15G8-L11 PolarHBondContact O-N 3.13Å; N9-L11 VanDerWaalsContact C-N 3.31Å; N9-L11 PolarHBondContact O-N 3.34Å; L11-A14 PolarHBondContact O-N 2.99Å; L11-I15 HydrophobicContact CD2-CD1 3.87Å; L11-I15 HydrophobicContact CD2-CG1 4.48Å; L11-I15 WeakPolarHBondContact O-CD1 3.21Å; L11-I15 WeakPolarHBondContact O-CG1 3.28Å; L11-I15 PolarHBondContact O-N 2.98Å
12F59.5Low64.9Low143 Ų143104.2 Ų104.263%0.62758%0.578SS**Hα-helixtrans-64.8-44.3170.7-87.2-84.3000112.5G8 A14 I15 D16G8-F12 PolarHBondContact O-N 3.42Å; G8-F12 VanDerWaalsContact O-N 3.07Å; F12-A14 VanDerWaalsContact C-N 3.29Å; F12-A14 PolarHBondContact O-N 3.38Å; F12-I15 PolarHBondContact O-N 2.81Å; F12-D16 PolarHBondContact O-N 3.26Å
13Q66.6Low66.7Low127 Ų127103.9 Ų103.959%0.59357%0.567SS**Hα-helixtrans-62.1-34.5177.4-77.3-172.7-46.600113.4N9 S17N9-Q13 WeakPolarHBondContact O-CB 3.48Å; N9-Q13 WeakPolarHBondContact O-CG 3.36Å; N9-Q13 PolarHBondContact O-N 2.76Å; Q13-S17 PolarHBondContact O-N 2.98Å; Q13-S17 PolarHBondContact O-OG 3.08Å; Q13-S17 VanDerWaalsContact O-OG 3.13Å
14A70.2Confident68.5Low45 Ų45101.9 Ų101.937%0.37256%0.557SS.*Hα-helixtrans-65.8-45.8174.100000111.9F10 L11 F12 S17 D18F10-A14 WeakPolarHBondContact O-CB 3.34Å; F10-A14 PolarHBondContact O-N 3.37Å; F10-A14 VanDerWaalsContact O-N 3.08Å; L11-A14 PolarHBondContact O-N 2.99Å; F12-A14 VanDerWaalsContact C-N 3.29Å; F12-A14 PolarHBondContact O-N 3.38Å; A14-S17 WeakPolarHBondContact CA-OG 3.27Å; A14-S17 PolarHBondContact O-N 2.88Å; A14-S17 PolarHBondContact O-OG 3.02Å; A14-D18 PolarHBondContact O-N 2.87Å
15I75.9Confident70.4Confident86 Ų8697.2 Ų97.244%0.44154%0.541SS..Hα-helixtrans-61.7-45176.8-67.1164.7000110.8L11 F12 S17 D18 L19L11-I15 HydrophobicContact CD2-CD1 3.87Å; L11-I15 HydrophobicContact CD2-CG1 4.48Å; L11-I15 WeakPolarHBondContact O-CD1 3.21Å; L11-I15 WeakPolarHBondContact O-CG1 3.28Å; L11-I15 PolarHBondContact O-N 2.98Å; F12-I15 PolarHBondContact O-N 2.81Å; I15-S17 VanDerWaalsContact C-N 3.3Å; I15-S17 PolarHBondContact O-N 2.84Å; I15-D18 PolarHBondContact O-N 3.47Å; I15-L19 VanDerWaalsContact O-CB 3.24Å; I15-L19 WeakPolarHBondContact O-CB 3.19Å; I15-L19 PolarHBondContact O-N 3.33Å
16D76.9Confident72.1Confident103 Ų10394.4 Ų94.455%0.55153%0.529SS*.Hα-helixtrans-62-37.1176.8-71.5-26.4000111.7F12 N20F12-D16 PolarHBondContact O-N 3.26Å; D16-N20 VanDerWaalsContact O-CB 3.22Å; D16-N20 WeakPolarHBondContact O-CB 3.26Å; D16-N20 PolarHBondContact O-N 3.38Å
17S77.5Confident74Confident65 Ų6595.5 Ų95.546%0.45553%0.529SS..Hα-helixtrans-70.2-41.9175.854.80000113.5Q13 A14 I15 N20 A21Q13-S17 PolarHBondContact O-N 2.98Å; Q13-S17 PolarHBondContact O-OG 3.08Å; Q13-S17 VanDerWaalsContact O-OG 3.13Å; A14-S17 WeakPolarHBondContact CA-OG 3.27Å; A14-S17 PolarHBondContact O-N 2.88Å; A14-S17 PolarHBondContact O-OG 3.02Å; I15-S17 VanDerWaalsContact C-N 3.3Å; I15-S17 PolarHBondContact O-N 2.84Å; S17-N20 PolarHBondContact O-N 3.41Å; S17-A21 WeakPolarHBondContact O-CB 3.34Å; S17-A21 PolarHBondContact O-N 2.68Å
18D77.7Confident75.7Confident109 Ų10993 Ų9358%0.58352%0.524SS*.Hα-helixtrans-69.5-36.3179.6-72-14.3000111.5A14 I15 A21 S22A14-D18 PolarHBondContact O-N 2.87Å; I15-D18 PolarHBondContact O-N 3.47Å; D18-A21 PolarHBondContact O-N 3.17Å; D18-S22 WeakPolarHBondContact O-CB 3.34Å; D18-S22 PolarHBondContact O-N 2.85Å; D18-S22 PolarHBondContact O-OG 3.02Å
19L82.3Confident77.5Confident100 Ų10096.9 Ų96.952%0.52454%0.537SS..Hα-helixtrans-70.2-40.1176.8-160.3156.7000111.1I15 S22 L23I15-L19 VanDerWaalsContact O-CB 3.24Å; I15-L19 WeakPolarHBondContact O-CB 3.19Å; I15-L19 PolarHBondContact O-N 3.33Å; L19-S22 PolarHBondContact O-N 2.89Å; L19-L23 HydrophobicContact CD2-CD1 3.82Å; L19-L23 HydrophobicContact CD2-CG 4.34Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.31Å
20N82.8Confident79Confident112 Ų11294.5 Ų94.560%0.59953%0.529SS*.Hα-helixtrans-68.7-36.1174.2-165.433.8000112.5D16 S17 L23 A24D16-N20 VanDerWaalsContact O-CB 3.22Å; D16-N20 WeakPolarHBondContact O-CB 3.26Å; D16-N20 PolarHBondContact O-N 3.38Å; S17-N20 PolarHBondContact O-N 3.41Å; N20-L23 PolarHBondContact O-N 3.21Å; N20-A24 PolarHBondContact O-N 2.89Å
21A85.2Confident80.3Confident54 Ų5493.2 Ų93.245%0.44652%0.523SS..Hα-helixtrans-64.7-41.5171.300000111.9S17 D18 L23 A24 V25S17-A21 WeakPolarHBondContact O-CB 3.34Å; S17-A21 PolarHBondContact O-N 2.68Å; D18-A21 PolarHBondContact O-N 3.17Å; A21-L23 VanDerWaalsContact C-N 3.34Å; A21-L23 PolarHBondContact O-N 3.15Å; A21-A24 PolarHBondContact O-N 2.92Å; A21-V25 PolarHBondContact O-N 2.97Å; A21-V25 VanDerWaalsContact O-N 3.11Å
22S84.1Confident81.5Confident79 Ų7993.9 Ų93.955%0.55252%0.523SS*.Hα-helixtrans-63.1-39.5175.8-58.60000112.1D18 L19 V25 A26D18-S22 WeakPolarHBondContact O-CB 3.34Å; D18-S22 PolarHBondContact O-N 2.85Å; D18-S22 PolarHBondContact O-OG 3.02Å; L19-S22 PolarHBondContact O-N 2.89Å; S22-V25 PolarHBondContact O-N 3.2Å; S22-A26 PolarHBondContact O-N 2.84Å
23L86.3Confident82.8Confident102 Ų10293.2 Ų93.253%0.53452%0.52SS..Hα-helixtrans-63.2-42.4172.8-78.1167.8000112.1L19 N20 A21 V25 A26 D27L19-L23 HydrophobicContact CD2-CD1 3.82Å; L19-L23 HydrophobicContact CD2-CG 4.34Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.31Å; N20-L23 PolarHBondContact O-N 3.21Å; A21-L23 VanDerWaalsContact C-N 3.34Å; A21-L23 PolarHBondContact O-N 3.15Å; L23-V25 VanDerWaalsContact C-N 3.35Å; L23-V25 PolarHBondContact O-N 3.18Å; L23-A26 PolarHBondContact O-N 3.21Å; L23-D27 WeakPolarHBondContact O-CB 3.32Å; L23-D27 PolarHBondContact O-N 2.81Å
24A84.1Confident83.5Confident56 Ų5690.3 Ų90.346%0.46351%0.514SS..Hα-helixtrans-61.3-41.1177.200000112.5N20 A21 D27 E28N20-A24 PolarHBondContact O-N 2.89Å; A21-A24 PolarHBondContact O-N 2.92Å; A24-D27 PolarHBondContact O-N 2.8Å; A24-E28 PolarHBondContact O-N 2.98Å
25V87.3Confident83.8Confident82 Ų8291.5 Ų91.550%0.49752%0.519SS..Hα-helixtrans-65.4-42.5175.31740000111.6A21 S22 L23 D27 E28 L29A21-V25 PolarHBondContact O-N 2.97Å; A21-V25 VanDerWaalsContact O-N 3.11Å; S22-V25 PolarHBondContact O-N 3.2Å; L23-V25 VanDerWaalsContact C-N 3.35Å; L23-V25 PolarHBondContact O-N 3.18Å; V25-D27 VanDerWaalsContact C-N 3.26Å; V25-D27 PolarHBondContact O-N 2.92Å; V25-E28 PolarHBondContact O-N 2.92Å; V25-L29 HydrophobicContact CG1-CD1 4.12Å; V25-L29 WeakPolarHBondContact O-CG 3.43Å; V25-L29 PolarHBondContact O-N 2.84Å
26A87.1Confident83.8Confident55 Ų5593.1 Ų93.146%0.45553%0.527SS..Hα-helixtrans-61.7-36.5174.400000112.1S22 L23 L29 S30S22-A26 PolarHBondContact O-N 2.84Å; L23-A26 PolarHBondContact O-N 3.21Å; A26-L29 PolarHBondContact O-N 3.06Å; A26-S30 WeakPolarHBondContact O-CB 3.29Å; A26-S30 PolarHBondContact O-N 3.47Å
27D90.7Very high83.8Confident93 Ų9393 Ų9350%0.49753%0.525SS..Hα-helixtrans-75-26179.6-149.957.6000112.6L23 A24 V25 K31L23-D27 WeakPolarHBondContact O-CB 3.32Å; L23-D27 PolarHBondContact O-N 2.81Å; A24-D27 PolarHBondContact O-N 2.8Å; V25-D27 VanDerWaalsContact C-N 3.26Å; V25-D27 PolarHBondContact O-N 2.92Å; D27-K31 VanDerWaalsContact CG-NZ 3.32Å; D27-K31 VanDerWaalsContact O-CG 3.29Å; D27-K31 WeakPolarHBondContact O-CG 3.35Å; D27-K31 PolarHBondContact O-N 3.29Å; D27-K31 PolarHBondContact O-NZ 3.11Å; D27-K31 IonicContact OD2-NZ 3.57Å; D27-K31 PolarHBondContact OD2-NZ 2.92Å
28E88.3Confident83.3Confident137 Ų13796.4 Ų96.464%0.6453%0.534SS*.Hα-helixtrans-73.1-47.2166.2-75.4-164.3146.500111.9A24 V25 S30 K31 E32A24-E28 PolarHBondContact O-N 2.98Å; V25-E28 PolarHBondContact O-N 2.92Å; E28-S30 PolarHBondContact O-N 2.87Å; E28-K31 WeakPolarHBondContact O-CA 3.39Å; E28-K31 WeakPolarHBondContact O-CB 3.24Å; E28-K31 PolarHBondContact O-N 2.87Å; E28-E32 PolarHBondContact O-N 3.39Å
29L88.1Confident82.8Confident116 Ų11697.8 Ų97.861%0.60754%0.537SS*.Hα-helixtrans-59.3-35.3177.4-69.3171.6000112.3V25 A26 F33V25-L29 HydrophobicContact CG1-CD1 4.12Å; V25-L29 WeakPolarHBondContact O-CG 3.43Å; V25-L29 PolarHBondContact O-N 2.84Å; A26-L29 PolarHBondContact O-N 3.06Å; L29-F33 WeakPolarHBondContact O-CB 3.14Å; L29-F33 PolarHBondContact O-N 2.95Å
30S87.2Confident81.8Confident64 Ų6497 Ų9745%0.44855%0.545SS..Hα-helixtrans-64.6-36.1172.7-172.20000112.8A26 E28 S34A26-S30 WeakPolarHBondContact O-CB 3.29Å; A26-S30 PolarHBondContact O-N 3.47Å; E28-S30 PolarHBondContact O-N 2.87Å; S30-S34 VanDerWaalsContact O-CB 3.31Å; S30-S34 WeakPolarHBondContact O-CB 3.22Å; S30-S34 PolarHBondContact O-N 3.47Å; S30-S34 PolarHBondContact O-OG 3.22Å
31K85.6Confident80.4Confident115 Ų11596.2 Ų96.250%0.555%0.548SS..Hα-helixtrans-73.9-42.3176.1-70.3175.8-16285.90112D27 E28 S34 S35D27-K31 VanDerWaalsContact CG-NZ 3.32Å; D27-K31 VanDerWaalsContact O-CG 3.29Å; D27-K31 WeakPolarHBondContact O-CG 3.35Å; D27-K31 PolarHBondContact O-N 3.29Å; D27-K31 PolarHBondContact O-NZ 3.11Å; D27-K31 IonicContact OD2-NZ 3.57Å; D27-K31 PolarHBondContact OD2-NZ 2.92Å; E28-K31 WeakPolarHBondContact O-CA 3.39Å; E28-K31 WeakPolarHBondContact O-CB 3.24Å; E28-K31 PolarHBondContact O-N 2.87Å; K31-S34 PolarHBondContact O-N 3.29Å; K31-S35 WeakPolarHBondContact O-CB 3.41Å; K31-S35 PolarHBondContact O-N 3.4Å
32E87.3Confident78.7Confident129 Ų12997.7 Ų97.760%0.60356%0.555SS**Hα-helixtrans-58.1-48.9172.9-74.6-63.6151.100111.1E28 S34 S35 M36E28-E32 PolarHBondContact O-N 3.39Å; E32-S34 VanDerWaalsContact C-N 3.34Å; E32-S34 PolarHBondContact O-N 3.29Å; E32-S35 PolarHBondContact O-N 3.02Å; E32-M36 WeakPolarHBondContact O-CB 3.41Å; E32-M36 PolarHBondContact O-N 2.93Å
33F87.7Confident77Confident128 Ų128101.2 Ų101.256%0.56157%0.568SS**Hα-helixtrans-61.2-40.9176-174.3-106.4000112.5L29 M36 L37L29-F33 WeakPolarHBondContact O-CB 3.14Å; L29-F33 PolarHBondContact O-N 2.95Å; F33-M36 PolarHBondContact O-N 2.69Å; F33-L37 HydrophobicContact CD1-CD1 3.98Å; F33-L37 HydrophobicContact CE1-CD1 3.57Å; F33-L37 HydrophobicContact CE1-CG 4.39Å; F33-L37 HydrophobicContact CZ-CD1 4.03Å; F33-L37 HydrophobicContact CZ-CG 4.48Å; F33-L37 WeakPolarHBondContact O-CG 3.43Å; F33-L37 PolarHBondContact O-N 2.83Å; F33-L37 VanDerWaalsContact O-N 3.07Å
34S80.8Confident75.2Confident66 Ų66103.6 Ų103.646%0.46258%0.581SS.*Hα-helixtrans-65.1-39.2175.1-60.30000112.3S30 K31 E32 L37 Q38S30-S34 VanDerWaalsContact O-CB 3.31Å; S30-S34 WeakPolarHBondContact O-CB 3.22Å; S30-S34 PolarHBondContact O-N 3.47Å; S30-S34 PolarHBondContact O-OG 3.22Å; K31-S34 PolarHBondContact O-N 3.29Å; E32-S34 VanDerWaalsContact C-N 3.34Å; E32-S34 PolarHBondContact O-N 3.29Å; S34-L37 PolarHBondContact O-N 3.3Å; S34-Q38 WeakPolarHBondContact O-CB 3.26Å; S34-Q38 PolarHBondContact O-N 3.25Å
35S77.7Confident73.3Confident70 Ų70108.8 Ų108.849%0.4960%0.596SS.*Hα-helixtrans-66.6-41.4176.5-166.20000111.5K31 E32 L37 Q38 E39K31-S35 WeakPolarHBondContact O-CB 3.41Å; K31-S35 PolarHBondContact O-N 3.4Å; E32-S35 PolarHBondContact O-N 3.02Å; S35-L37 VanDerWaalsContact C-N 3.34Å; S35-L37 PolarHBondContact O-N 3.36Å; S35-Q38 WeakPolarHBondContact O-CB 3.47Å; S35-Q38 PolarHBondContact O-N 2.9Å; S35-Q38 VanDerWaalsContact O-N 3.14Å; S35-E39 WeakPolarHBondContact O-CB 3.44Å; S35-E39 PolarHBondContact O-N 3.38Å
36M75.2Confident70.8Confident121 Ų121111.3 Ų111.360%0.59661%0.607SS**Hα-helixtrans-63-38.7176.7-164.8-176.5-58.300112.1E32 F33 A40E32-M36 WeakPolarHBondContact O-CB 3.41Å; E32-M36 PolarHBondContact O-N 2.93Å; F33-M36 PolarHBondContact O-N 2.69Å; M36-A40 WeakPolarHBondContact O-CB 3.46Å; M36-A40 PolarHBondContact O-N 2.71Å
37L76.8Confident68.5Low99 Ų99115.2 Ų115.252%0.51863%0.625SS.*Hα-helixtrans-68.8-37.8171.5-71.2174.1000112.5F33 S34 S35 S41F33-L37 HydrophobicContact CD1-CD1 3.98Å; F33-L37 HydrophobicContact CE1-CD1 3.57Å; F33-L37 HydrophobicContact CE1-CG 4.39Å; F33-L37 HydrophobicContact CZ-CD1 4.03Å; F33-L37 HydrophobicContact CZ-CG 4.48Å; F33-L37 WeakPolarHBondContact O-CG 3.43Å; F33-L37 PolarHBondContact O-N 2.83Å; F33-L37 VanDerWaalsContact O-N 3.07Å; S34-L37 PolarHBondContact O-N 3.3Å; S35-L37 VanDerWaalsContact C-N 3.34Å; S35-L37 PolarHBondContact O-N 3.36Å; L37-S41 WeakPolarHBondContact O-CB 3.34Å; L37-S41 PolarHBondContact O-N 3.25Å
38Q67.5Low66.2Low137 Ų137116.8 Ų116.864%0.6464%0.64SS**Hα-helixtrans-65.3-40.2176.6-167.470.871.600111.5S34 S35 S41 S42S34-Q38 WeakPolarHBondContact O-CB 3.26Å; S34-Q38 PolarHBondContact O-N 3.25Å; S35-Q38 WeakPolarHBondContact O-CB 3.47Å; S35-Q38 PolarHBondContact O-N 2.9Å; S35-Q38 VanDerWaalsContact O-N 3.14Å; Q38-S41 PolarHBondContact O-N 2.94Å; Q38-S42 PolarHBondContact O-N 3.35Å
39E67.6Low63.5Low139 Ų139115.1 Ų115.165%0.6564%0.643SS**Hα-helixtrans-66.7-48.9176.3-172.8170.8-165.200111.1S35 S41 S42S35-E39 WeakPolarHBondContact O-CB 3.44Å; S35-E39 PolarHBondContact O-N 3.38Å; E39-S41 PolarHBondContact O-N 3.42Å; E39-S42 PolarHBondContact O-N 3.21Å; E39-S42 PolarHBondContact O-OG 3.4Å
40A60.8Low60.7Low83 Ų83116.8 Ų116.869%0.68665%0.653SS**Hα-helixtrans-58.5-30.2173.800000113.3M36M36-A40 WeakPolarHBondContact O-CB 3.46Å; M36-A40 PolarHBondContact O-N 2.71Å
41S53.5Low58Low95 Ų95118.6 Ų118.666%0.66467%0.666SS**THydrogen-bonded Turntrans-81.6-7176.8-174.60000114.6L37 Q38 E39L37-S41 WeakPolarHBondContact O-CB 3.34Å; L37-S41 PolarHBondContact O-N 3.25Å; Q38-S41 PolarHBondContact O-N 2.94Å; E39-S41 PolarHBondContact O-N 3.42Å
42S49.3Very low55.4Low85 Ų85121.9 Ų121.959%0.59468%0.68SS**THydrogen-bonded Turntrans-101.5-11.1-169.669.60000115.1Q38 E39 D44Q38-S42 PolarHBondContact O-N 3.35Å; E39-S42 PolarHBondContact O-N 3.21Å; E39-S42 PolarHBondContact O-OG 3.4Å; S42-D44 VanDerWaalsContact C-N 3.33Å; S42-D44 PolarHBondContact O-N 2.9Å
43N48.8Very low52.6Low154 Ų154121.8 Ų121.882%0.82469%0.688SS**  trans-94.736.9-163.7-15424.5000114.5
44D48.3Very low49.8Very low151 Ų151120.5 Ų120.581%0.80770%0.695SS**  trans-140.393-180-146.1-10.9000109.7S42S42-D44 VanDerWaalsContact C-N 3.33Å; S42-D44 PolarHBondContact O-N 2.9Å
45Q43.6Very low47.4Very low166 Ų166122.2 Ų122.278%0.77671%0.707SS**  trans166.6152.1154.6-86.1-94.5-20.100112.6
46N34.8Very low45.1Very low135 Ų135123.9 Ų123.972%0.72272%0.719SS**  trans72.284.9162.9-60.8-49.5000120.8
47T39.3Very low42.9Very low136 Ų136124.5 Ų124.583%0.83473%0.729SS**  trans-66.7146.7140.153.70000111.5
48P42.8Very low40.6Very low127 Ų127124.3 Ų124.383%0.82574%0.736SS**  trans-139.7165.8131.737.5-25.3000114.9
49S30.1Very low38.9Very low101 Ų101128.4 Ų128.471%0.70675%0.746SS**  trans-103.7158-175.153.90000114.2
50D30.2Very low37Very low151 Ų151127.4 Ų127.481%0.80775%0.745SS**  trans49.8117.8152-71.1-32.8000118.7
51S30.7Very low35.6Very low102 Ų102134 Ų13471%0.71375%0.752SS**  172151.762.642.50000114.6
52K30Very low34.6Very low185 Ų185138.3 Ų138.380%0.80476%0.762SS**  trans48.8123.2142.2-67.4178-180170.90122.7
53T28.7Very low33.7Very low126 Ų126142.7 Ų142.777%0.77378%0.777SS**  trans85.9125.7132.347.90000123.7
54S29.3Very low32.9Very low101 Ų101139.9 Ų139.971%0.70677%0.77SS**  trans83.3108.513459.90000123.2
55S29.8Very low32.2Very low102 Ų102138 Ų13871%0.71377%0.769SS**  86.3133.2116.767.10000123.4
56S29.5Very low31.4Very low105 Ų105133.7 Ų133.773%0.73477%0.768SS**  trans62.4118.7145.448.70000119.4
57V29.1Very low32.3Very low134 Ų134133.6 Ų133.681%0.81278%0.775SS**  99.4102.752.71640000113.5
58S28.7Very low31.8Very low96 Ų96133.1 Ų133.167%0.67178%0.777SS**  trans67.6131140.5-62.70000124.4
59R31.6Very low31.3Very low223 Ų223132.2 Ų132.284%0.84277%0.774SS**  trans73.9155.5145.5-76.1-180176.8133.61.5117.7
60D28.9Very low31.4Very low118 Ų118135.3 Ų135.363%0.63178%0.782SS**  cis-151.91676.2-135.9-22.7000115.1
61R30.7Very low32.3Very low220 Ų220134.2 Ų134.283%0.8378%0.783SS**  trans60.5120151.7-74.6169.8-175.7-128.6-5.6124.7
62H32.6Very low32.3Very low187 Ų187135.5 Ų135.587%0.86679%0.792SS**  trans-35.3160.1152.6-60.5-98.7000119.3
63L29.7Very low32.3Very low176 Ų176131.4 Ų131.492%0.92179%0.787SS**  -149168.2125.1-110.3173.3000113.1
64S32.3Very low32.4Very low96 Ų96130.5 Ų130.567%0.67178%0.781SS**  trans-82.1148.2-144.8-168.90000120.5
65S33.6Very low32.4Very low112 Ų112135.7 Ų135.778%0.78379%0.787SS**  trans58.1129.2136.961.20000124.1
66G27.1Very low32.4Very low74 Ų74135 Ų13576%0.76378%0.782SS**  trans173.3108.1154.300000112.4
67P52.8Low32.4Very low134 Ų134134.9 Ų134.987%0.8778%0.781SS**  trans-96.2151.5-173.936.2-33.8000114.1
68S29.3Very low32.5Very low126 Ų126133.8 Ų133.888%0.88178%0.779SS**  trans-147.3160165.360.30000110.4
69S32.1Very low32.5Very low108 Ų108135 Ų13576%0.75579%0.787SS**  trans-150.9149.7-17954.50000112
70L32Very low32.5Very low166 Ų166130 Ų13087%0.86978%0.782SS**  trans65.7130.1172.9-54.8174.1000117.5
71P50.4Low32.8Very low128 Ų128131.3 Ų131.383%0.83179%0.789SS**  trans-99.3162.4165.637.4-31.8000113.1
72S29Very low33Very low128 Ų128127.2 Ų127.290%0.89578%0.784SS**  trans-96.8176.8-175.9-56.30000114.1
73S30.3Very low32.9Very low100 Ų100123.6 Ų123.670%0.69978%0.779SS**  trans-110163.7177.663.10000113.6
74T31.5Very low33.2Very low106 Ų106120.2 Ų120.265%0.6577%0.77SS**  trans72.2123.8152.8-28.80000118.7
75Y28.8Very low33.3Very low211 Ų211120.6 Ų120.683%0.82777%0.773SS**  175.8119.6111.6-109.6-96.5000115.3
76S29.9Very low33.5Very low87 Ų87120.9 Ų120.961%0.60878%0.775SS**  trans42.9124.2134.5-49.60000126
77S30.2Very low34Very low102 Ų102122.6 Ų122.671%0.71378%0.775SS**  73.1120.6119.971.80000124.5
78S31Very low33.1Very low111 Ų111121.3 Ų121.378%0.77677%0.769SS**  trans70.5121.1130.165.90000122.8
79S29.2Very low33.6Very low122 Ų122124.4 Ų124.485%0.85377%0.767SS**  trans-160.1174.8143.547.90000110.1
80T31.8Very low34.7Very low119 Ų119123.8 Ų123.873%0.7376%0.761SS**  trans-145.3155.6-153.352.30000115
81N33.4Very low34.6Very low144 Ų144125.3 Ų125.377%0.7776%0.76SS**  trans68.9155.7161-62.113.6000116.8
82D34.9Very low33.6Very low135 Ų135124.3 Ų124.372%0.72276%0.756SS**  cis-166156.2-23-119.7-47.1000109.4
83S31.1Very low34.6Very low111 Ų111123.5 Ų123.578%0.77675%0.748SS**  trans-177.895.7152.2-83.60000116.3
84S36.3Very low34.4Very low104 Ų104126 Ų12673%0.72775%0.754SS**  trans57.2145.8131.454.50000126.3
85S35.1Very low34.3Very low105 Ų105125.9 Ų125.973%0.73476%0.757SS**  trans68.5109162.653.80000118.7
86S38Very low34.3Very low117 Ų117120.5 Ų120.582%0.81875%0.747SS**  87130.452.573.20000113.9
87S37.6Very low34.5Very low111 Ų111125.5 Ų125.578%0.77675%0.753SS**  cis-151.6-176.6-4.372.60000108.7
88S33.7Very low34.4Very low106 Ų106127.2 Ų127.274%0.74175%0.754SS**  cis-152.5167.436.945.80000109.7
89K39.4Very low34.2Very low192 Ų192127.5 Ų127.584%0.83575%0.752SS**  cis100.5141.626.3-86.1-167.2177-172.40115.1
90P54.6Low34.2Very low95 Ų95126 Ų12662%0.61774%0.741SS**  -149.9-165.1-108.242-19.9000117
91F29.3Very low33.9Very low197 Ų197127.4 Ų127.486%0.86474%0.744SS**  trans138.7142.7137.3-86.9-66.6000117.4
92S29.6Very low33.6Very low107 Ų107125.6 Ų125.675%0.74874%0.743SS**  trans-92.2-161.4168.7-34.80000110.1
93P50.4Low33.4Very low112 Ų112124.5 Ų124.573%0.72774%0.741SS**  cis-141.2-177.4-1.142.8-23000117.3
94N27.3Very low33.4Very low153 Ų153128.6 Ų128.682%0.81875%0.745SS**  trans35.8120.2147.1-73.15.4000124
95S29.3Very low33Very low103 Ų103128.1 Ų128.172%0.7274%0.741SS**  52.5129.3119.3-167.90000122.1
96T28.7Very low32.8Very low98 Ų98130.6 Ų130.660%0.60175%0.745SS**  -176.6163.4115.622.80000114.2
97Y32.7Very low32.4Very low192 Ų192129.4 Ų129.475%0.75374%0.737SS**  trans77.2132168.2-46.8-60.5000117.1
98N29.2Very low32.2Very low137 Ų137134.1 Ų134.173%0.73374%0.737SS**  cis82.6140.139.2-65.80000113
99T26.3Very low32.1Very low117 Ų117136.1 Ų136.172%0.71874%0.74SS**  cis-167163.5-2.617.30000111.5
100S29.3Very low31.8Very low90 Ų90131.3 Ų131.363%0.62974%0.736SS**  trans54.7118.7143.365.60000123.5
101D26.1Very low31.5Very low150 Ų150132.7 Ų132.780%0.80275%0.745SS**  69141.3122.4-63.3-52.9000126
102S27.2Very low31.5Very low106 Ų106128.4 Ų128.474%0.74174%0.739SS**  trans101.3113.9135.872.80000123
103V30.8Very low32.9Very low111 Ų111128.8 Ų128.867%0.67374%0.739SS**  48.1121.9125.5-176.10000121.1
104F29.9Very low33Very low197 Ų197129.1 Ų129.186%0.86474%0.742SS**  -179.6124.9126.9-86.5-66.7000106.3
105S28.3Very low33.2Very low94 Ų94127.9 Ų127.966%0.65774%0.74SS**  cis89.2146.736.8-54.80000115.1
106I30.9Very low33.3Very low157 Ų157131.1 Ų131.181%0.80575%0.748SS**  trans85103.5173.2-56.8172.7000114.7
107S29.6Very low33.3Very low93 Ų93130.8 Ų130.865%0.6575%0.749SS**  85.1150.487.2-134.10000113.3
108R33.8Very low33.1Very low209 Ų209129.3 Ų129.379%0.78975%0.754SS**  cis-163161.811.2-159.4-179.4-80.7-169-6.9111.6
109N31.2Very low33.3Very low148 Ų148127.9 Ų127.979%0.79176%0.756SS**  trans132138.3140.1-68.5-19.7000116.9
110A33.3Very low34.6Very low92 Ų92127 Ų12776%0.7675%0.752SS**  trans-132.8-171.5169.500000106.4
111P49.5Very low34.6Very low123 Ų123131 Ų13180%0.79976%0.76SS**  cis-139.7-166.116.341.8-19.3000117
112S29.2Very low34.7Very low107 Ų107129.7 Ų129.775%0.74876%0.762SS**  trans-79.7-165.4-179.755.80000113.6
113P59.1Low35.2Very low115 Ų115129.8 Ų129.875%0.74776%0.763SS**  cis-128-149.50.444.2-23.7000111.7
114P51.1Low36.1Very low120 Ų120130.1 Ų130.178%0.77977%0.768SS**  cis-131.3-120-4.940.7-17.8000115.7
115V31.8Very low36.3Very low127 Ų127129.3 Ų129.377%0.7776%0.764SS**  trans-151155.6-159.4-162.50000112.8
116L30.7Very low36.3Very low170 Ų170132.1 Ų132.189%0.8977%0.768SS**  trans132.3164.4143.6-75.2176.4000118.1
117S29.9Very low36.3Very low91 Ų91131.8 Ų131.864%0.63676%0.763SS**  trans-100.5151.2-159.955.20000115.8
118N29Very low36.3Very low161 Ų161136.3 Ų136.386%0.86177%0.766SS**  174.7163.4125.5-86.9-13.1000112.8
119S33Very low36Very low108 Ų108133.6 Ų133.676%0.75577%0.772SS**  trans-93.3-175.2165.8630000110.1
120P52Low35.9Very low99 Ų99130.3 Ų130.364%0.64376%0.757SS**  cis-139.9-166.73.441.3-20.5000116
121H30Very low36Very low174 Ų174134 Ų13481%0.80676%0.758SS**  trans59.4122.8157.5-66.7-53.5000121.8
122S29.2Very low35.1Very low121 Ų121134.3 Ų134.385%0.84675%0.753SS**  166.6160.5106.9-76.30000115
123S37.1Very low35.4Very low109 Ų109135.1 Ų135.176%0.76275%0.754SS**  trans-138.6158175.1-41.30000112.1
124P50.2Low34.2Very low117 Ų117136.9 Ų136.976%0.7675%0.752SS**  trans-98.3131.41569.111.3000110.5
125K33.3Very low33.3Very low180 Ų180141.1 Ų141.178%0.78375%0.752SS**  68.3133.470.4-66.8175.2-178.4174.50112.4
126M29Very low33.5Very low153 Ų153145.7 Ų145.775%0.75476%0.756SS**  cis-130.3159.919.7-50.2-110.347.300110.2
127H31.4Very low33.6Very low150 Ų150142.9 Ų142.969%0.69475%0.746SS**  cis61.8143.544.1-81.9-61.9000114.8
128R29.2Very low33.7Very low189 Ų189141.3 Ų141.371%0.71374%0.744SS**  cis-175.6140.2-11.2176.6-175.5-168.1176.10.7110.5V130R128-V130 HydrophobicContact CG-CG2 3.88Å; R128-V130 VanDerWaalsContact NE-CG2 3.34Å
129V26.2Very low34.1Very low151 Ų151138.7 Ų138.792%0.91574%0.738SS**  trans-131.5153.6164.9-175.40000109.5
130V30.6Very low34.2Very low79 Ų79140.6 Ų140.648%0.47974%0.74SS.*  trans-150.8127.2-156.6149.20000115R128R128-V130 HydrophobicContact CG-CG2 3.88Å; R128-V130 VanDerWaalsContact NE-CG2 3.34Å
131H34.5Very low33.3Very low170 Ų170138.6 Ų138.679%0.78774%0.738SS**  trans63.8173154-66.2-26.7000118.1
132N31.6Very low33.4Very low130 Ų130140.4 Ų140.470%0.69574%0.739SS**  cis-158.917824.3-156.91.3000115.9
133T34.9Very low33.4Very low124 Ų124140.1 Ų140.176%0.76173%0.732SS**  trans95.8136.2168.5690000118
134H32.8Very low33Very low151 Ų151144.2 Ų144.270%0.69974%0.736SS**  cis-153.5-132.6-24.5-151.954.6000115.5
135R32.9Very low32.2Very low210 Ų210144.5 Ų144.579%0.79274%0.736SS**  trans-106.5173.7-168.8-66.4174.7168.1-178.4-10.9112.5
136R36Very low33.3Very low222 Ų222141.4 Ų141.484%0.83873%0.734SS**  cis-159.5175.914.9-147-170.6171.2176.9-4.2106.8
137T33.9Very low33.3Very low112 Ų112143.6 Ų143.669%0.68774%0.742SS**  cis-162.1171.54.9-22.30000105.7
138G30.3Very low33.5Very low57 Ų57141.6 Ų141.659%0.58875%0.745SS**  cis143.3159.9-6.700000112.5
139S38.6Very low34.7Very low106 Ų106137.8 Ų137.874%0.74175%0.745SS**  trans61.8129171.345.60000119.9
140D35.3Very low35Very low148 Ų148140 Ų14079%0.79174%0.743SS**  cis-151.8150.5-0.8-89.2-36.4000115.2
141G32.3Very low35Very low58 Ų58145.1 Ų145.160%0.59876%0.761SS**  trans84.9178.2156.400000118.9
142Y32Very low34.9Very low211 Ų211141.4 Ų141.483%0.82776%0.76SS**  cis-173.8151.6-30.3-83.9-42.3000108.6
143V30.1Very low35.8Very low116 Ų116140.7 Ų140.770%0.70376%0.762SS**  cis-164.2157.8-30.783.40000110.5
144F28.8Very low35.5Very low194 Ų194146.5 Ų146.585%0.85177%0.771SS**  trans70.2150.9167.5-98.3-96.4000122
145T33.2Very low35.7Very low124 Ų124144.3 Ų144.376%0.76177%0.772SS**  trans-139.7-167.4174.852.90000108.9
146P55.8Low36.3Very low114 Ų114140.1 Ų140.174%0.7477%0.772SS**  -112.4165.8-83.839.1-26.7000113.7
147Q28.5Very low36.2Very low199 Ų199139.6 Ų139.693%0.9377%0.77SS**  trans-161.9148.7164.5-120.4163.568.100114.7
148S35.8Very low36.9Very low108 Ų108139.9 Ų139.976%0.75577%0.774SS**  trans-113.2-174.8167.9-49.90000108.6
149P55.3Low36.8Very low110 Ų110143.7 Ų143.771%0.71478%0.781SS**  cis-132.2-172.6-9.842.9-27.4000113.2
150K30.9Very low36.8Very low197 Ų197143.8 Ų143.886%0.85778%0.782SS**  trans178.4175.4137.3-99.5158.7-173175.80116
151Q31.2Very low37.4Very low186 Ų186142.3 Ų142.387%0.86978%0.78SS**  trans-83.3171.3-161.6-65.2148.2-42.400116.3
152A33.3Very low37.4Very low92 Ų92143.8 Ų143.876%0.7678%0.781SS**  trans-83.1-177.7175.200000113.8
153P48.9Very low37.3Very low115 Ų115142.7 Ų142.775%0.74778%0.777SS**  -155.9171.897.742.7-25.5000118.9
154R29.8Very low37.3Very low247 Ų247145.6 Ų145.693%0.93278%0.78SS**  trans83.4146.4152.8-78.8173.5-174.6-145-0.7122.4
155S36.5Very low37.3Very low105 Ų105142.2 Ų142.273%0.73477%0.767SS**  trans-123-175.2170.656.60000109.7
156P46Very low37Very low122 Ų122147 Ų14779%0.79277%0.771SS**  -146.5178.498.639.8-24.3000115.7
157R34.8Very low36Very low210 Ų210145.9 Ų145.979%0.79277%0.766SS**  trans-88.9175.8164.3-63.1179.5173.5172.8-3.7110.8
158P47.7Very low36.8Very low118 Ų118141.7 Ų141.777%0.76676%0.756SS**  -145.4178.390.239-23.5000113.9
159D27.8Very low36.5Very low137 Ų137145.1 Ų145.173%0.73376%0.761SS**  cis-161.8175.9-39.9-93.7-34.8000109.3
160S38.9Very low35.2Very low109 Ų109143.1 Ų143.176%0.76276%0.759SS**  trans-118.7167.5173.1-48.40000111.2
161P48.2Very low35Very low116 Ų116141.4 Ų141.475%0.75376%0.759SS**  trans-118.2138.4145.633.5-24.4000111.2
162S32.6Very low35Very low89 Ų89139.6 Ų139.662%0.62275%0.754SS**  cis75137.928.189.90000113.9
163Y30.4Very low34.6Very low189 Ų189140 Ų14074%0.74175%0.751SS**  cis-126.1-176.2-1.3-82.3-98.1000108.8
164F29.9Very low33.8Very low176 Ų176142.3 Ų142.377%0.77275%0.752SS**  cis-134.2169.613.2-72.9-87.3000108.8
165E27.7Very low33.8Very low124 Ų124140 Ų14058%0.57974%0.743SS**  cis81.488.232-149.8-14314000116.5
166R26.8Very low33.3Very low224 Ų224141.8 Ų141.885%0.84574%0.74SS**  176.8149.1107-94.9-169.3179.9-160.8-2.4114.8
167S34.9Very low32.5Very low91 Ų91146.2 Ų146.264%0.63674%0.741SS**  trans-108.1164.5150.6-171.40000107.6
168P45.7Very low32.3Very low111 Ų111140.2 Ų140.272%0.72173%0.731SS**  -147.4-172.697.540-23.1000114.6
169Q29.3Very low31.6Very low180 Ų180143.2 Ų143.284%0.84173%0.734SS**  trans-87.2164.5-172.6-57.884-11.600115
170G27.3Very low32.6Very low67 Ų67141.8 Ų141.869%0.69173%0.733SS**  trans114.3159.1156.900000115.2
171L28.2Very low32.1Very low162 Ų162141.5 Ų141.585%0.84873%0.731SS**  cis-167.4165.7-10.7-122.3164.9000108.5
172I31Very low31.2Very low147 Ų147140.6 Ų140.675%0.75473%0.727SS**  trans70102.1161.7-58.7158.5000118
173S25.2Very low31Very low101 Ų101148.5 Ų148.571%0.70674%0.744SS**  18.7126.8126.8-166.20000120.6
174Q31.6Very low31Very low163 Ų163145.7 Ų145.776%0.76275%0.746SS**  -166.4147.9103.5-103.2-1704300113.6
175R29Very low31.2Very low198 Ų198142.2 Ų142.275%0.74775%0.75SS**  trans41.2127151.4-71.4-165141.5137.40.6121.1
176E27.4Very low31.3Very low143 Ų143140.2 Ų140.267%0.66876%0.763SS**  71.1122.959.9-171.8-175-144.100112
177R28.8Very low31.4Very low216 Ų216135 Ų13582%0.81576%0.76SS**  cis-170.3151.4-4.2166.2175.1-175.4-167.12.7112.2
178S29.9Very low31.2Very low83 Ų83139.1 Ų139.158%0.5877%0.774SS**  trans47.6112.8157.7-630000123.9
179Q32.5Very low30.6Very low181 Ų181141.2 Ų141.285%0.84677%0.774SS**  62.6-164.6127.7-55.8-175.9-30.800118
180P48.8Very low31.5Very low108 Ų108138.3 Ų138.370%0.70177%0.771SS**  -133.2-170.4-97.243.4-26.1000115.8
181S29.2Very low32Very low102 Ų102139 Ų13971%0.71377%0.766SS**  trans98.1136.9150740000122
182S29.2Very low33.2Very low98 Ų98137.5 Ų137.569%0.68577%0.765SS**  trans40.7135.1145.962.40000123.7
183W28.4Very low33.1Very low255 Ų255141.1 Ų141.197%0.96677%0.77SS**  trans-137.1151.7155.9-91.370.3000110.6
184T30.7Very low34.3Very low129 Ų129142.2 Ų142.279%0.79177%0.774SS**  trans-153.4151.1-16948.80000115.5
185A34.5Very low34.3Very low104 Ų104138.4 Ų138.486%0.8677%0.771SS**  trans89.2127.9144.700000123.2
186G28.8Very low35.6Very low81 Ų81133.4 Ų133.484%0.83576%0.764SS**  trans98.6152.5144.900000118.7
187S29.2Very low35.8Very low114 Ų114134 Ų13480%0.79777%0.767SS**  cis-175.6143.1-22.6-170.30000110.4
188L30.3Very low35.8Very low178 Ų178132 Ų13293%0.93277%0.766SS**  trans167.7163.8145.2-92.8161.3000114.7
189E33.2Very low35.7Very low155 Ų155136.7 Ų136.772%0.72478%0.782SS**  trans-105.6-174.6-175.7-126.7-134.3124.800111.5S191E189-S191 PolarHBondContact OE1-N 2.93Å
190P48.5Very low35.6Very low119 Ų119133.4 Ų133.477%0.77378%0.779SS**  cis-140.217123.741.6-20.1000121.3
191S37.5Very low34.9Very low83 Ų83137 Ų13758%0.5879%0.786SS**  trans-82.9173.4175.1-165.90000115.1E189E189-S191 PolarHBondContact OE1-N 2.93Å
192P52.5Low34.8Very low129 Ų129136.7 Ų136.784%0.83878%0.784SS**  -145.5-178.498.939.6-23.3000117.1
193R30.8Very low34.8Very low223 Ų223139.4 Ų139.484%0.84279%0.79SS**  trans-116.3175.7-170-133.5-177.6-159.4-166.26.9111.6
194P49.2Very low34.8Very low124 Ų124134.9 Ų134.981%0.80578%0.784SS**  -151.5-172.672.939.5-17.5000116.9
195A32.7Very low35.1Very low83 Ų83134.7 Ų134.769%0.68678%0.783SS**  trans-116.7-121.7176.600000110.8
196P54.6Low35.5Very low94 Ų94135.4 Ų135.461%0.6178%0.778SS**  cis-141.7-166.5-4.129.9-2000116.1
197H31.6Very low35.5Very low156 Ų156141.9 Ų141.972%0.72278%0.779SS**  trans80.1145.6157.9-57.1-37.4000120.5
198Q30.3Very low35.3Very low173 Ų173142.9 Ų142.981%0.80878%0.776SS**  cis-155.9-172.9-8.5-123.5169.1-8.100113.6
199M27.5Very low35.2Very low182 Ų182139.6 Ų139.690%0.89777%0.768SS**  trans-135.4150.8-167.8-51.21707500115.7
200S29.8Very low34.9Very low112 Ų112138.6 Ų138.678%0.78377%0.767SS**  trans-173141.8148.943.80000108.7
201Q33.5Very low34Very low183 Ų183140 Ų14086%0.85576%0.763SS**  65.7130.156.1-63.6-168.522.700113.2
202S27.3Very low33.5Very low96 Ų96143.7 Ų143.767%0.67177%0.773SS**  cis-171.1168.2555.70000114.1
203L29.1Very low32.4Very low154 Ų154141.9 Ų141.981%0.80676%0.764SS**  trans81.3142.6147.7-79.7165.5000123.9
204L29.5Very low32.4Very low160 Ų160142.4 Ų142.484%0.83877%0.766SS**  trans79.5146.8152.6-69.6165.9000123.4
205T36.6Very low31.5Very low126 Ų126148.6 Ų148.677%0.77377%0.773SS**  trans-129.3154.2169.657.30000107.1
206P42.8Very low31.5Very low118 Ų118149.6 Ų149.677%0.76678%0.775SS**  -156.5176.569.943.6-22.3000118.3
207Y28.2Very low31.1Very low217 Ų217150.5 Ų150.585%0.85178%0.781SS**  trans33.4139.5149-109.6-101.2000125.8
208D26.7Very low31.1Very low136 Ų136150.2 Ų150.273%0.72778%0.78SS**  trans91.7163.7140.2-124.8-31.9000123.3
209S27.1Very low31.9Very low109 Ų109147.3 Ų147.376%0.76278%0.776SS**  trans8185.9169.8-65.60000119.9
210N27Very low31.9Very low134 Ų134143.9 Ų143.972%0.71776%0.761SS**  trans-15.7138.5146.2-90-68.1000119.7
211Q30.6Very low31.9Very low148 Ų148149.7 Ų149.769%0.69277%0.766SS**  trans81.8139.6132.5-78.8-172.15500123.6
212M27.1Very low31.7Very low160 Ų160144.2 Ų144.279%0.78876%0.759SS**  trans72.3146.5154.8-67.5-150.3-168.400119.3
213S28.6Very low32.6Very low92 Ų92146.1 Ų146.164%0.64377%0.769SS**  cis-171172.7-16.3-102.20000112.3
214R31.4Very low32.6Very low233 Ų233144.2 Ų144.288%0.87977%0.768SS**  trans83.1114.3157.9-49.5-167.5179.5-100.4-3.7119.3
215R29.2Very low32.6Very low254 Ų254141.8 Ų141.896%0.95877%0.772SS**  -143128.597.9-104.6-176.1-177.5-140.4-0.2111.9
216S33.8Very low32.2Very low104 Ų104139 Ų13973%0.72777%0.768SS**  trans-132165.1167.7-45.30000106.8
217P46.2Very low31.5Very low114 Ų114143 Ų14374%0.7477%0.774SS**  -130.5156.288.57.716.2000112.7
218Q30.5Very low31.5Very low149 Ų149139.8 Ų139.870%0.69677%0.77SS**  63.9153.669.1-99.7-175.5-57.200114.1D220Q218-D220 PolarHBondContact NE2-OD1 3.32Å; Q218-D220 PolarHBondContact NE2-OD2 2.82Å
219P46.5Very low31.6Very low112 Ų112144.1 Ų144.173%0.72778%0.776SS**  cis-101.9148.4150.523.8000114.5
220D28.5Very low31.9Very low110 Ų110145.1 Ų145.159%0.58878%0.778SS**  75.6143.182.5-58.3-25000114.6Q218Q218-D220 PolarHBondContact NE2-OD1 3.32Å; Q218-D220 PolarHBondContact NE2-OD2 2.82Å
221R29.6Very low32.6Very low235 Ų235144.6 Ų144.689%0.88778%0.782SS**  cis-152.914819.3-147.1166.7-173.1152.3-0.5112.3
222G28.6Very low32.8Very low68 Ų68142.6 Ų142.670%0.70179%0.785SS**  trans-88.3-150.1172.300000113.7
223P46.1Very low33.8Very low135 Ų135140.1 Ų140.188%0.87778%0.78SS**  cis-137.3-155.827.143.6-24.3000115.2
224S29.6Very low33.9Very low114 Ų114142.9 Ų142.980%0.79779%0.787SS**  trans-125.9166.7-161.4-430000115.1
225A30.3Very low33.7Very low110 Ų110136.6 Ų136.691%0.90978%0.779SS**  trans71.3147.2150.100000120.6
226G28Very low33.7Very low67 Ų67131.3 Ų131.369%0.69177%0.769SS**  trans14388.8160.400000117.8
227F28.1Very low33.4Very low202 Ų202133.4 Ų133.489%0.88677%0.772SS**  trans34.3140.6140.3-80.1-85.3000124.2
228L27.2Very low32.8Very low149 Ų149131.6 Ų131.678%0.7877%0.766SS**  trans82.8134.4151.8-66.7161.9000121.2
229R28.6Very low32.9Very low227 Ų227132.9 Ų132.986%0.85777%0.773SS**  trans46.4130.1144-69.2-179.7169.4-178.9-4.1121.4
230T34.9Very low32.2Very low131 Ų131133.1 Ų133.180%0.80477%0.771SS**  trans-46.8154.7150.851.40000113.2
231P41.4Very low32.4Very low122 Ų122133.2 Ų133.279%0.79278%0.781SS**  cis-143-165.63240.8-19.7000116.3
232S34Very low32.4Very low107 Ų107126.7 Ų126.775%0.74877%0.771SS**  trans-58.1172.8164.2-27.90000112.8
233P49.3Very low32.7Very low108 Ų108130.2 Ų130.270%0.70178%0.779SS**  cis-155.5-163.734.343.3-19.2000118.4
234L29Very low32.1Very low150 Ų150131.3 Ų131.379%0.78578%0.777SS**  trans67.5119.9158.8-60.8175.1000119.4
235S27.9Very low33.2Very low100 Ų100131 Ų13170%0.69977%0.772SS**  84.1156.891.6-54.50000114.4
236L29.1Very low33.4Very low144 Ų144134.5 Ų134.575%0.75476%0.762SS**  cis-164.8141.822.1-147.1161.8000111.9
237N28.4Very low33.5Very low147 Ų147137.5 Ų137.579%0.78676%0.762SS**  trans157.4123.3147.2-83.6-15.9000109.2
238A32.4Very low33.6Very low76 Ų76135.2 Ų135.263%0.62875%0.752SS**  75.4130.25400000112.8
239Q32.9Very low33.7Very low177 Ų177133.3 Ų133.383%0.82775%0.747SS**  cis-161.1175.3-2.7-113.7176.924.300107.2
240V31.9Very low33.6Very low116 Ų116128.3 Ų128.370%0.70374%0.742SS**  cis-153.817612.7-122.20000109.6
241S32Very low33.2Very low113 Ų113128.1 Ų128.179%0.7974%0.74SS**  trans72.9140158.8-650000119.3
242S30.4Very low32.5Very low98 Ų98127.1 Ų127.169%0.68574%0.736SS**  cis-158.7167.3-9.356.20000112.7
243T34.8Very low32.1Very low141 Ų141130.3 Ų130.387%0.86574%0.739SS**  trans73.5142.9179.572.20000117
244L33.7Very low31Very low158 Ų158130.1 Ų130.183%0.82774%0.736SS**  trans-130160.9-172.7-84.9172.8000112.2
245P53.7Low30.7Very low107 Ų107131.5 Ų131.570%0.69574%0.738SS**  trans-113.7-128.9-171.843.6-32.1000112.1
246R34.1Very low30.7Very low184 Ų184134.3 Ų134.369%0.69474%0.741SS**  trans81.7145.1166-95.8-179.8176.6124-0.4115.9F248R246-F248 HydrophobicContact CG-CD2 3.95Å; R246-F248 HydrophobicContact CG-CE2 3.98Å
247N29.4Very low30.6Very low130 Ų130131.3 Ų131.370%0.69573%0.731SS**  cis-144.9161.234.4-81.2-55.8000111.3
248F30.2Very low30.7Very low155 Ų155130.4 Ų130.468%0.6873%0.731SS**  58.3138.560.5-63-64.1000113.3R246R246-F248 HydrophobicContact CG-CD2 3.95Å; R246-F248 HydrophobicContact CG-CE2 3.98Å
249T30.1Very low30.5Very low108 Ų108136.8 Ų136.866%0.66374%0.744SS**  cis-168.9150.53.910.10000112.4
250T27Very low30.3Very low123 Ų123138 Ų13876%0.75574%0.742SS**  trans57.5160.4142.5610000124.9
251V26Very low30.1Very low127 Ų127140.7 Ų140.777%0.7775%0.747SS**  trans91.9103.4157.3-168.30000119.8
252S25.5Very low29.9Very low101 Ų101142.6 Ų142.671%0.70674%0.74SS**  30.4154.6121.5-139.10000124.3
253Q27Very low30.1Very low173 Ų173142.9 Ų142.981%0.80874%0.742SS**  trans69.4155.6164.1-62-173.2-11.900117
254T24.8Very low30.5Very low104 Ų104142.6 Ų142.664%0.63874%0.743SS**  cis-163.5149.7-27.824.60000108
255E23.5Very low30.4Very low179 Ų179138.6 Ų138.684%0.83674%0.74SS**  trans62.2172.3157.5-66.8174.6160.600116.2
256E27.5Very low29.4Very low160 Ų160143 Ų14375%0.74875%0.748SS**  cis-143.6154-3.6-144.3-154.1109.900113.3
257S27.1Very low29.2Very low80 Ų80146.1 Ų146.156%0.55976%0.76SS**  trans45.9117.6144.864.70000127.3
258V30.1Very low29.7Very low128 Ų128146.9 Ų146.978%0.77676%0.764SS**  72114.5118178.90000122.1
259K29.8Very low29.9Very low210 Ų210148.1 Ų148.191%0.91377%0.772SS**  -162.1166.2118.2-107.7151.4-167.8166.10113.4
260R27.1Very low30.3Very low204 Ų204149.7 Ų149.777%0.7778%0.782SS**  trans-154.9120.2-153.9174.1-160.4-175.8-1609114.7
261Q28.1Very low30.7Very low172 Ų172151.2 Ų151.280%0.80479%0.785SS**  trans-150.2127.4155.1-65.6-61.6-14.500106.7
262K27.5Very low31.3Very low152 Ų152153.1 Ų153.166%0.66179%0.79SS**  77.38754.6-78.2-166.9167.5-171.90116
263S35.8Very low31.9Very low104 Ų104155.1 Ų155.173%0.72779%0.793SS**  15.6149.2125.862.40000119.9
264P43Very low32.5Very low135 Ų135153.8 Ų153.888%0.87780%0.797SS**  cis-148.5-17537.542.8-23.3000116.8
265G31.6Very low33Very low75 Ų75154 Ų15477%0.77380%0.802SS**  trans162.6106.7163.700000115.5
266K32.9Very low33.6Very low198 Ų198156.7 Ų156.786%0.86181%0.806SS**  trans-58.8148.6-176-59.4169.7178.8177.90114.7
267W30.3Very low33.7Very low251 Ų251158.2 Ų158.295%0.95181%0.813SS**  trans-70.6151.4155.4-93.438.6000111
268N38.7Very low33.9Very low145 Ų145158.6 Ų158.678%0.77582%0.816SS**  trans-122.3158.5167.1-66.2-15.6000109.1
269E35.6Very low33.8Very low182 Ų182161.6 Ų161.685%0.8582%0.819SS**  trans-93.2-169.7-177.3-60.917613100112.3
270T37.9Very low34.4Very low140 Ų140156.1 Ų156.186%0.85980%0.804SS**  trans6596.1172.269.70000117.5
271D35.6Very low34.6Very low155 Ų155155 Ų15583%0.82981%0.808SS**  -153.2108.2114.8-156.22.9000110
272L38.6Very low35.1Very low167 Ų167155.4 Ų155.487%0.87481%0.809SS**  trans-159.250.6-176.7-132.3-178.1000112.5
273D37.3Very low35.1Very low143 Ų143156.4 Ų156.477%0.76582%0.82SS**  trans-144.496.7172.9-114.5-34.3000111
274V40.5Very low34.9Very low146 Ų146161.2 Ų161.289%0.88582%0.824SS**  trans-129.9100.3166.5-177.60000108.8
275S33.8Very low34.2Very low107 Ų107160.5 Ų160.575%0.74881%0.813SS**  trans-84.2152.3175.2-73.50000112.1
276Y36.6Very low34.1Very low237 Ų237164.4 Ų164.493%0.92981%0.808SS**  trans-74.7131.3175.4-119.1-102000111.5
277E30.5Very low34.1Very low191 Ų191161.3 Ų161.389%0.89381%0.806SS**  trans-146.4179156.9-132.3173.4-147.800111.9
278S30Very low34Very low88 Ų88157.9 Ų157.962%0.61580%0.801SS**  trans-142.9163.2-141.971.60000118
279K28Very low33.6Very low191 Ų191162.3 Ų162.383%0.8381%0.807SS**  trans78.2166.8161.4-62.4166.1-174.9172.40117.1
280P42.5Very low33.4Very low95 Ų95160.7 Ų160.762%0.61780%0.803SS**  cis-134.8-176.9-38.734.6-17.2000112.9
281H31.5Very low32.8Very low182 Ų182165.7 Ų165.784%0.84381%0.806SS**  168.2152.3121.3-91.6-71.9000112.7
282H38.7Very low32.4Very low180 Ų180163 Ų16383%0.83380%0.799SS**  trans-106.5142.4175.5-72.7-84.7000111.6
283I28.7Very low31.9Very low173 Ų173160 Ų16089%0.88779%0.793SS**  trans-140.6146.2146.7-64.2-171.5000108.4
284Y30.9Very low31.9Very low204 Ų204157.7 Ų157.780%0.879%0.794SS**  trans-108.7150.4174.9-115.9-96.5000109
285D29.2Very low32Very low121 Ų121155.7 Ų155.765%0.64778%0.784SS**  -164179.6105.4-144.12000114.2
286K28.4Very low31.7Very low157 Ų157158 Ų15868%0.68379%0.787SS**  trans-103.3138.5-167.73.978.5-176134.90116.6
287T32.6Very low31.5Very low133 Ų133151 Ų15182%0.81677%0.773SS**  trans-164.6139.5149.433.60000107.1
288E29.3Very low31.6Very low179 Ų179148.2 Ų148.284%0.83677%0.765SS**  cis-140.3158.6-11.4-88.9168.5117.700108.1
289W29.2Very low31.5Very low237 Ų237154.4 Ų154.490%0.89878%0.775SS**  trans-129.2144.3164.6-102.859.7000109.8
290L31.2Very low31.7Very low149 Ų149155.4 Ų155.478%0.7877%0.773SS**  trans67.8103.2169.2-66.1153.3000118.5
291R26.5Very low31.2Very low244 Ų244160 Ų16092%0.92179%0.786SS**  -151.6148.1109-146.2175.3-71.1-143.20.6113.4
292S26Very low31.3Very low98 Ų98156.1 Ų156.169%0.68578%0.78SS**  trans-90.8178.7168.5-340000109.9
293S27.7Very low31.1Very low105 Ų105154.9 Ų154.973%0.73478%0.779SS**  cis-172.2149.213.740.30000112.3
294A37.7Very low31.2Very low95 Ų95154.6 Ų154.679%0.78578%0.778SS**  trans66.8175.5145.900000118
295P42.5Very low31.2Very low104 Ų104152.5 Ų152.568%0.67578%0.781SS**  cis-136.2-178.80.843.8-27000117.7
296N28.8Very low31.3Very low154 Ų154154 Ų15482%0.82479%0.789SS**  trans74143.6159.1-65.5-13.5000119.2
297S32.1Very low32Very low91 Ų91152.1 Ų152.164%0.63679%0.793SS**  cis-161151.8-8.150.90000113.7
298N31.5Very low31.9Very low133 Ų133150.2 Ų150.271%0.71179%0.791SS**  trans50.8139151-52.3-18000120.2
299W27.9Very low32.7Very low218 Ų218148.2 Ų148.283%0.82679%0.793SS**  cis-143.7132.136.7-85.579.8000115.9
300R32.1Very low32.7Very low211 Ų211141.5 Ų141.580%0.79679%0.788SS**  trans18.9126.5142.8-63.1-177.4173.2-83.5-1.1121.9
301E33.2Very low32.8Very low192 Ų192142.8 Ų142.890%0.89779%0.794SS**  trans-101.8163.3144.5-60.2171.8160.700109.9
302S33.5Very low33.1Very low100 Ų100136.1 Ų136.170%0.69979%0.785SS**  trans-161.4105.5168.358.60000115.4
303N33.2Very low33.8Very low154 Ų154137.4 Ų137.482%0.82479%0.791SS**  trans31137138.7-48.7-43.4000121.2
304L31.7Very low34Very low167 Ų167142.1 Ų142.187%0.87480%0.798SS**  -172.4137.796.9-98.9165.1000112.4
305D30.9Very low33.6Very low161 Ų161146 Ų14686%0.86180%0.797SS**  trans-148.5162.3160.2-147.3-24.2000109.2
306N31.1Very low33Very low151 Ų151147.3 Ų147.381%0.80780%0.799SS**  trans-91.3169.3-150.9-116.49.3000116.7
307P43.9Very low33.9Very low118 Ų118144.8 Ų144.877%0.76679%0.791SS**  trans-96.7173.8-156.938.7-40000117.1
308A30.6Very low33.6Very low94 Ų94151.4 Ų151.478%0.77780%0.802SS**  trans-129.7160.7172.700000112
309P44.5Very low33.4Very low136 Ų136150.8 Ų150.888%0.88381%0.808SS**  trans-91.5178.4-163.736.1-37.3000116.7
310A30.4Very low33.5Very low96 Ų96147 Ų14779%0.79381%0.808SS**  trans-96.4160.8-161.200000117.2
311I32.4Very low34.5Very low177 Ų177141.4 Ų141.491%0.90880%0.8SS**  trans-135.8153.9158.8-64.2-174.5000109.4
312S32.8Very low34.3Very low103 Ų103139.9 Ų139.972%0.7279%0.792SS**  trans-99.7163.7-163.154.90000117.2
313P42.2Very low34.2Very low125 Ų125144 Ų14481%0.81280%0.801SS**  trans-94.6179.3160.937.3-32.4000113.3
314K31.6Very low34Very low205 Ų205140.4 Ų140.489%0.89180%0.799SS**  trans-106.2126.3-159.9-61.1172.5-178.3172.40116.1
315K29.4Very low33.9Very low176 Ų176137 Ų13777%0.76579%0.79SS**  49.1110.7124.7-163.6171.1-176.9175.20121.9
316D28.7Very low34Very low131 Ų131139.2 Ų139.270%0.70179%0.787SS**  trans64161.9140.5-63.3-15.7000122.1
317P47.6Very low34Very low102 Ų102137.1 Ų137.166%0.66279%0.785SS**  cis-137.6159.7-25.431.2-12.6000115.9
318R27.4Very low33.5Very low229 Ų229136.8 Ų136.886%0.86479%0.785SS**  158.5158.9121.1-88.6178.6174.1130-1115.5
319S26.9Very low33.8Very low120 Ų120139.9 Ų139.984%0.83979%0.788SS**  trans71.9115.6159.827.30000120.9
320V30.2Very low34.1Very low138 Ų138138.4 Ų138.484%0.83678%0.778SS**  trans-107.2163.9164154.80000105.8
321P51.9Low34.4Very low95 Ų95145.9 Ų145.962%0.61779%0.786SS**  cis-140.8-175.118.121.57000118.8
322H29.6Very low34.3Very low159 Ų159141.3 Ų141.374%0.73678%0.783SS**  trans106.3121.2135.9-78.3-41.4000123.6
323Q30.8Very low34.4Very low188 Ų188141.4 Ų141.488%0.87979%0.789SS**  trans62.1152148.7-58.6178.9100117.9
324G28.9Very low33.9Very low77 Ų77147.6 Ų147.679%0.79480%0.797SS**  cis156.5160.6-2.700000109.5
325S30.7Very low34Very low96 Ų96145.4 Ų145.467%0.67179%0.793SS**  cis-168.6174.7-9.6-172.50000109.3
326Y32.6Very low34Very low207 Ų207141.7 Ų141.781%0.81280%0.795SS**  trans70122.8171.7-59.1-73.8000116.6
327S31.1Very low34.3Very low108 Ų108141.5 Ų141.576%0.75580%0.798SS**  72.2142.975.5910000114.6
328S32.3Very low34.5Very low110 Ų110141.3 Ų141.377%0.76980%0.797SS**  cis-159.6169.316.359.60000114.4
329L38.7Very low35.3Very low160 Ų160136.4 Ų136.484%0.83880%0.795SS**  trans-74.8-176.5163-69.6173000110.8
330P50.9Low35.6Very low105 Ų105138 Ų13868%0.68279%0.794SS**  cis-156.3-171.92247.1-24.9000120.9
331R35.8Very low35.6Very low252 Ų252136.4 Ų136.495%0.95180%0.795SS**  trans70.1139.9147.5-84.8177.2175.6166.3-1.3122.2
332G30.9Very low34.6Very low82 Ų82140.2 Ų140.285%0.84581%0.81SS**  trans159.6128.2153.800000113.8
333A34.4Very low34.5Very low104 Ų104138.6 Ų138.686%0.8682%0.816SS**  trans-143150.8177.800000112
334R31.4Very low34.6Very low256 Ų256135.9 Ų135.997%0.96682%0.818SS**  trans-161.8175.4165.5-114.7171-166.4-162.72.2113
335I34.4Very low34.6Very low159 Ų159135.6 Ų135.682%0.81582%0.815SS**  trans-120.2146.4-156-61.7155.6000111.4
336A28.8Very low34.6Very low98 Ų98140.3 Ų140.381%0.8183%0.826SS**  trans-154.7156.3156.400000110.7
337V34.1Very low34.3Very low126 Ų126135.3 Ų135.376%0.76482%0.822SS**  trans-138-175.3176.3-142.90000109.3
338P53.3Low34.5Very low99 Ų99136.1 Ų136.164%0.64382%0.824SS**  -92.1-168.4-124.843-29.1000114.6
339P44.3Very low34.6Very low125 Ų125141.4 Ų141.481%0.81283%0.829SS**  -134.1162.6115.339.1-31.7000114.5
340D31.6Very low34.2Very low154 Ų154136.4 Ų136.482%0.82482%0.817SS**  trans-80.8151.5-176.3-53.8-82.6000114.9
341A30.5Very low33.4Very low104 Ų104137 Ų13786%0.8682%0.824SS**  trans-149.2129.1157.800000110.5
342L31.3Very low33Very low175 Ų175132.9 Ų132.992%0.91682%0.815SS**  trans-85.4132.7-178.2-71.8160000111.9
343S27.7Very low33.1Very low126 Ų126133.3 Ų133.388%0.88180%0.803SS**  trans-162.9150.9147.2-87.50000112.5
344S32.5Very low33.4Very low131 Ų131132.7 Ų132.792%0.91678%0.784SS**  trans-82.4143.9-178.2-172.30000112.1
345G30.3Very low33.5Very low71 Ų71126.3 Ų126.373%0.73277%0.768SS**  trans-170.9124.2173.800000110.6
346Q29.8Very low33.5Very low194 Ų194122.2 Ų122.291%0.90775%0.753SS**  trans-71.5143.9-173.6-66.6161.2-66.500112
347S26.6Very low34.3Very low102 Ų102126.6 Ų126.671%0.71375%0.749SS**  trans-76.7127.317246.70000111.2Y349S347-Y349 PolarHBondContact O-N 2.89Å
348P34.2Very low35Very low125 Ų125122.1 Ų122.181%0.81272%0.72SS**  trans-83.159.517834.9-36.1000111.6
349Y35.4Very low35.1Very low221 Ų221122 Ų12287%0.86772%0.715SS**  trans-120.863.1170.4-88.5-78.3000110.7S347S347-Y349 PolarHBondContact O-N 2.89Å
350G29.9Very low35.5Very low56 Ų56116.6 Ų116.658%0.57768%0.678SS**  trans-76.4119.9157.300000109.1Q352G350-Q352 PolarHBondContact O-N 2.77Å; G350-Q352 VanDerWaalsContact O-N 3.14Å; G350-Q352 PolarHBondContact O-NE2 3.11Å
351S33.6Very low35.9Very low118 Ų118111.8 Ų111.883%0.82566%0.656SS**  trans-55.2115.8168.7490000109.2
352Q29Very low36.1Very low165 Ų165112.2 Ų112.277%0.77165%0.65SS**  trans-64.9133.5177.8-63.5-62.7-65.300109.3G350G350-Q352 PolarHBondContact O-N 2.77Å; G350-Q352 VanDerWaalsContact O-N 3.14Å; G350-Q352 PolarHBondContact O-NE2 3.11Å
353P31.4Very low36.6Very low91 Ų91108.1 Ų108.159%0.59163%0.628SS**  trans-62.8138.917027.4-33.6000109.6I355P353-I355 HydrophobicContact CB-CG1 4.15Å; P353-I355 HydrophobicContact CG-CD1 3.91Å; P353-I355 HydrophobicContact CG-CG1 4.04Å; P353-I355 PolarHBondContact O-N 3.21Å
354I41.3Very low36.9Very low90 Ų90112.7 Ų112.746%0.46263%0.627SS.*  trans-78.871.4-178.8-49.5179.7000109.4S356 W779I354-S356 PolarHBondContact O-N 3.18Å; I354-W779 HydrophobicContact CG2-CZ2 4.11Å
355I34.3Very low36.8Very low123 Ų123111.8 Ų111.863%0.63162%0.621SS**  trans-71.6117.5-177.9-64.8175.1000110.1P353 R357P353-I355 HydrophobicContact CB-CG1 4.15Å; P353-I355 HydrophobicContact CG-CD1 3.91Å; P353-I355 HydrophobicContact CG-CG1 4.04Å; P353-I355 PolarHBondContact O-N 3.21Å; I355-R357 PolarHBondContact O-N 3.36Å
356S33.3Very low36.9Very low73 Ų73116.3 Ų116.351%0.5163%0.625SS.*  trans10.888.9162.750.10000117.8I354I354-S356 PolarHBondContact O-N 3.18Å
357R45.6Very low37.1Very low189 Ų189112.7 Ų112.771%0.71362%0.619SS**  trans-90.50.3167.1-74.3-171.8171.1-166.60.3114.5I355I355-R357 PolarHBondContact O-N 3.36Å
358L49.6Very low37.6Very low32 Ų32119.3 Ų119.317%0.16863%0.628CS.*  trans-129.278.1-157.4-61.8173.4000112.9F705 Y752 W779 P792 N794L358-F705 WeakPolarHBondContact O-CZ 3.37Å; L358-Y752 HydrophobicContact CD1-CE2 4.24Å; L358-Y752 HydrophobicContact CD2-CE2 4.11Å; L358-W779 HydrophobicContact CD1-CH2 3.78Å; L358-W779 HydrophobicContact CD1-CZ2 3.8Å; L358-W779 HydrophobicContact CD1-CZ3 4.49Å; L358-P792 HydrophobicContact CD1-CB 3.33Å; L358-P792 HydrophobicContact CD1-CG 3.63Å; L358-N794 PolarHBondContact O-ND2 3.16Å
359N54.4Low37.8Very low97 Ų97120.4 Ų120.452%0.51962%0.622SS.*SBendtrans-58.4155.3148.1-70.518.3000108.9H707N359-H707 PolarHBondContact ND2-CD2 2.79Å; N359-H707 PolarHBondContact ND2-NE2 2.98Å
360M53.5Low38Very low11 Ų11121.9 Ų121.95%0.05463%0.626CS.*PPolyproline II helixtrans-53133173.4-72.6-161.2148.600111P362 T678 A701 A704 W750 N794M360-P362 WeakPolarHBondContact O-CD 3.29Å; M360-P362 VanDerWaalsContact O-N 3.12Å; M360-T678 HydrophobicContact SD-CG2 4.38Å; M360-A701 HydrophobicContact CE-CB 3.55Å; M360-A704 HydrophobicContact CE-CB 3.43Å; M360-A704 VanDerWaalsContact CE-CB 3.43Å; M360-A704 HydrophobicContact SD-CB 4.09Å; M360-W750 HydrophobicContact CE-CH2 3.34Å; M360-W750 HydrophobicContact CE-CZ2 4.24Å; M360-W750 HydrophobicContact CE-CZ3 3.77Å; M360-W750 HydrophobicContact SD-CH2 3.81Å; M360-W750 HydrophobicContact SD-CZ2 4.14Å; M360-N794 WeakPolarHBondContact CE-O 3.46Å
361P39.4Very low39Very low53 Ų53128.7 Ų128.734%0.34464%0.635SS.*PPolyproline II helixtrans-62.1117.6-174.924-33.5000109.5I363 W750 L795P361-I363 PolarHBondContact O-N 3.3Å; P361-W750 HydrophobicContact CG-CB 4.2Å; P361-W750 HydrophobicContact CG-CD2 4.25Å; P361-W750 HydrophobicContact CG-CG 3.75Å; P361-L795 HydrophobicContact CG-CD2 4.29Å
362P35.1Very low39.8Very low113 Ų113128.6 Ų128.673%0.73462%0.624SS**PPolyproline II helixtrans-68131.6-173.526.4-33.9000110.5M360 Y364M360-P362 WeakPolarHBondContact O-CD 3.29Å; M360-P362 VanDerWaalsContact O-N 3.12Å; P362-Y364 PolarHBondContact O-N 3.28Å
363I40.8Very low41.3Very low90 Ų90124.4 Ų124.446%0.46261%0.611SS.*PPolyproline II helixtrans-59.4136.6173.1-51.2173.9000108.5P361 S365 A671P361-I363 PolarHBondContact O-N 3.3Å; I363-S365 PolarHBondContact O-N 3.07Å; I363-A671 HydrophobicContact CD1-CB 4.4Å
364Y34.2Very low42.6Very low221 Ų221124.9 Ų124.987%0.86761%0.608SS**  trans-25.7107.5-170.7-68.1-85.7000115.9P362 M366P362-Y364 PolarHBondContact O-N 3.28Å; Y364-M366 PolarHBondContact O-N 2.69Å
365S30.7Very low43.5Very low113 Ų113123.9 Ų123.979%0.7961%0.608SS**  trans-70.4124.7-17760.80000113.2I363I363-S365 PolarHBondContact O-N 3.07Å
366M33.6Very low45Very low165 Ų165120.4 Ų120.481%0.81359%0.593SS**  trans-89.6148.5164.3-75-68.8167.600110.3Y364 R368Y364-M366 PolarHBondContact O-N 2.69Å; M366-R368 PolarHBondContact O-N 3.39Å
367P34.1Very low46.6Very low119 Ų119120.3 Ų120.377%0.77359%0.586SS**  trans-69.5115.5-169.626-34.4000112.6Q369P367-Q369 PolarHBondContact O-N 3.39Å; P367-Q369 VanDerWaalsContact O-N 3.09Å
368R37.3Very low47.3Very low240 Ų240115.8 Ų115.891%0.90658%0.575SS**  trans-54109.8176.9-77177.3164.6166.1-5.1112.2M366 R370M366-R368 PolarHBondContact O-N 3.39Å; R368-R370 PolarHBondContact O-N 3.17Å
369Q37.3Very low47.8Very low149 Ų149121.2 Ų121.270%0.69659%0.593SS**  trans-68.7119.2155.4-75.9-166.1-7.200108.6P367 R371P367-Q369 PolarHBondContact O-N 3.39Å; P367-Q369 VanDerWaalsContact O-N 3.09Å; Q369-R371 PolarHBondContact O-N 3.28Å; Q369-R371 VanDerWaalsContact O-N 3.11Å; Q369-R371 VanDerWaalsContact OE1-NH2 3.17Å
370R40.4Very low48Very low252 Ų252123 Ų12395%0.95160%0.603SS**  trans-63.4113.7173.2-68.5-175.4179.3-169.9-0.3109.5R368R368-R370 PolarHBondContact O-N 3.17Å
371R51Low47.8Very low198 Ų198129 Ų12975%0.74763%0.63SS**  trans-116.5158.8167.3-66-169.1-179.3-164.62.4110.3Q369Q369-R371 PolarHBondContact O-N 3.28Å; Q369-R371 VanDerWaalsContact O-N 3.11Å; Q369-R371 VanDerWaalsContact OE1-NH2 3.17Å
372I49.4Very low48.4Very low116 Ų116129.3 Ų129.360%0.59563%0.629SS**  trans-69.2127.9-168.9-66169.6000109.2V376 I377I372-V376 HydrophobicContact CG2-CB 3.55Å; I372-V376 HydrophobicContact CG2-CG1 3.56Å; I372-V376 HydrophobicContact CG2-CG2 4.29Å; I372-I377 HydrophobicContact CG2-CG1 4.45Å
373P61.6Low49.3Very low78 Ų78129.1 Ų129.151%0.50663%0.628SS.*  trans-65.8149.7-177.226.7-34.7000111.9S375 V376 I377P373-S375 PolarHBondContact O-N 3.18Å; P373-V376 HydrophobicContact CG-CG2 4.16Å; P373-V376 PolarHBondContact O-N 3.41Å; P373-I377 PolarHBondContact O-N 3.21Å
374I58.2Low49.7Very low101 Ų101132 Ų13252%0.51864%0.639SS.*Hα-helixtrans-54.3-29.4-178.5-81.6175000112.9V376 I377 L378I374-V376 PolarHBondContact O-N 3.4Å; I374-V376 VanDerWaalsContact O-N 3.17Å; I374-I377 HydrophobicContact CG1-CD1 4.39Å; I374-I377 PolarHBondContact O-N 3.39Å; I374-I377 VanDerWaalsContact O-N 3.08Å; I374-L378 HydrophobicContact CG2-CD1 3.69Å; I374-L378 HydrophobicContact CG2-CG 4.27Å; I374-L378 WeakPolarHBondContact O-CB 3.12Å; I374-L378 PolarHBondContact O-N 3.4Å
375S60.8Low50.4Low68 Ų68130 Ų13048%0.47663%0.632SS.*Hα-helixtrans-64.4-14.1174.862.90000115.4P373 R379P373-S375 PolarHBondContact O-N 3.18Å; S375-R379 PolarHBondContact O-NE 3.37Å; S375-R379 PolarHBondContact O-NH2 3.03Å
376V65.8Low51.2Low50 Ų50126.8 Ų126.830%0.30362%0.616SS.*Hα-helixtrans-96.4-36.4169.8174.80000110.6I372 P373 I374 R379 L380I372-V376 HydrophobicContact CG2-CB 3.55Å; I372-V376 HydrophobicContact CG2-CG1 3.56Å; I372-V376 HydrophobicContact CG2-CG2 4.29Å; P373-V376 HydrophobicContact CG-CG2 4.16Å; P373-V376 PolarHBondContact O-N 3.41Å; I374-V376 PolarHBondContact O-N 3.4Å; I374-V376 VanDerWaalsContact O-N 3.17Å; V376-R379 WeakPolarHBondContact O-CB 3.46Å; V376-R379 PolarHBondContact O-N 3.39Å; V376-L380 HydrophobicContact CG1-CD1 4.07Å; V376-L380 HydrophobicContact CG1-CG 4.48Å; V376-L380 WeakPolarHBondContact O-CG 3.25Å; V376-L380 PolarHBondContact O-N 3.27Å
377I65.9Low51.7Low71 Ų71126.9 Ų126.936%0.36461%0.614SS.*Hα-helixtrans-62.4-48.5176.3-57.9177.1000110.5I372 P373 I374 R379 L380 Q381I372-I377 HydrophobicContact CG2-CG1 4.45Å; P373-I377 PolarHBondContact O-N 3.21Å; I374-I377 HydrophobicContact CG1-CD1 4.39Å; I374-I377 PolarHBondContact O-N 3.39Å; I374-I377 VanDerWaalsContact O-N 3.08Å; I377-R379 PolarHBondContact O-N 3.23Å; I377-L380 PolarHBondContact O-N 3.27Å; I377-Q381 WeakPolarHBondContact O-CG 3.05Å; I377-Q381 PolarHBondContact O-N 3.46Å
378L60.7Low51.9Low94 Ų94129.9 Ų129.949%0.49262%0.62SS.*Hα-helixtrans-56.4-36.7173.3-82.5160.7000112.8I374 Q381 N382I374-L378 HydrophobicContact CG2-CD1 3.69Å; I374-L378 HydrophobicContact CG2-CG 4.27Å; I374-L378 WeakPolarHBondContact O-CB 3.12Å; I374-L378 PolarHBondContact O-N 3.4Å; L378-Q381 PolarHBondContact O-N 3.41Å; L378-N382 WeakPolarHBondContact O-CB 3.47Å; L378-N382 PolarHBondContact O-N 2.97Å; L378-N382 PolarHBondContact O-ND2 3.35Å
379R59.6Low52Low146 Ų146123.4 Ų123.455%0.55161%0.611SS**Hα-helixtrans-75-30.4-179.2-158.3-178.7-51172.25.9112.8S375 V376 I377 N382S375-R379 PolarHBondContact O-NE 3.37Å; S375-R379 PolarHBondContact O-NH2 3.03Å; V376-R379 WeakPolarHBondContact O-CB 3.46Å; V376-R379 PolarHBondContact O-N 3.39Å; I377-R379 PolarHBondContact O-N 3.23Å; R379-N382 CarbonylContact O-C 3.6Å
380L57.7Low52Low136 Ų136121.8 Ų121.871%0.71261%0.612SS**Hα-helixtrans-77.3-33.1171.9-70.3168.1000112V376 I377V376-L380 HydrophobicContact CG1-CD1 4.07Å; V376-L380 HydrophobicContact CG1-CG 4.48Å; V376-L380 WeakPolarHBondContact O-CG 3.25Å; V376-L380 PolarHBondContact O-N 3.27Å; I377-L380 PolarHBondContact O-N 3.27Å
381Q50.7Low51.7Low136 Ų136117.6 Ų117.664%0.63661%0.608SS**Hα-helixtrans-77-28.1175.3-72.2174.6-3200113.1I377 L378I377-Q381 WeakPolarHBondContact O-CG 3.05Å; I377-Q381 PolarHBondContact O-N 3.46Å; L378-Q381 PolarHBondContact O-N 3.41Å
382N50.8Low51Low59 Ų59116.9 Ų116.932%0.31661%0.612SS.*  trans-129.878.6-179-65.7-82.6000111.9L378 R379 Q384 Y385L378-N382 WeakPolarHBondContact O-CB 3.47Å; L378-N382 PolarHBondContact O-N 2.97Å; L378-N382 PolarHBondContact O-ND2 3.35Å; R379-N382 CarbonylContact O-C 3.6Å; N382-Q384 PolarHBondContact O-N 3.08Å; N382-Y385 HydrophobicContact CB-CD2 3.98Å; N382-Y385 PolarHBondContact O-N 2.84Å; N382-Y385 VanDerWaalsContact O-N 3.14Å
383P54.4Low50Low109 Ų109119.2 Ų119.271%0.70863%0.626SS**G310 helixtrans-60.9-21.9-174.923.5-34.4000114.2Y385 G386P383-Y385 VanDerWaalsContact C-N 3.34Å; P383-Y385 PolarHBondContact O-N 2.85Å; P383-G386 PolarHBondContact O-N 3.29Å
384Q48.6Very low48.4Very low150 Ų150124.7 Ų124.770%0.70165%0.645SS**G310 helixtrans-70.5-20.4178.460.1-167.1-9.300114.8N382 G386N382-Q384 PolarHBondContact O-N 3.08Å; Q384-G386 PolarHBondContact O-N 3.44Å
385Y48.9Very low47.5Very low181 Ų181125.5 Ų125.571%0.7166%0.657SS**G310 helixtrans-71.6-10.3176.5-94.1-89.6000113.9N382 P383 Q387N382-Y385 HydrophobicContact CB-CD2 3.98Å; N382-Y385 PolarHBondContact O-N 2.84Å; N382-Y385 VanDerWaalsContact O-N 3.14Å; P383-Y385 VanDerWaalsContact C-N 3.34Å; P383-Y385 PolarHBondContact O-N 2.85Å; Y385-Q387 PolarHBondContact O-N 2.86Å
386G48.8Very low45.8Very low44 Ų44130 Ų13045%0.45467%0.673SS.*G310 helixtrans-75.7-13.6179.700000115.8P383 Q384P383-G386 PolarHBondContact O-N 3.29Å; Q384-G386 PolarHBondContact O-N 3.44Å
387Q44Very low43.9Very low168 Ų168136 Ų13679%0.78570%0.697SS**G310 helixtrans-101.8-5.6-169.4-69.8-167.9-13.400115.9Y385Y385-Q387 PolarHBondContact O-N 2.86Å
388M38.4Very low42.2Very low182 Ų182136.5 Ų136.590%0.89772%0.72SS**SBendtrans-97-8.8-179.6-74.8-175.1167.100114.8
389S38.1Very low40.6Very low103 Ų103141.7 Ų141.772%0.7274%0.742SS**SBendtrans-98.210.4-172.3-52.70000115.2
390T38.8Very low39.2Very low115 Ų115137.9 Ų137.971%0.70675%0.748SS**SBendtrans-109.519.8-173.657.50000114.5
391L34.3Very low37.7Very low165 Ų165138.4 Ų138.486%0.86475%0.752SS**SBendtrans-134.229.8179.2-81.8-179.8000115.1
392Q34.7Very low36.8Very low182 Ų182138.4 Ų138.485%0.8576%0.755SS**SBendtrans-152.896.2161.7-124.5154.9-4.600112.6
393N29.3Very low35.8Very low165 Ų165140.9 Ų140.988%0.88277%0.773SS**  trans168.789.7144.8-88.4-21.5000111.2
394Q28.6Very low34.6Very low193 Ų193140.8 Ų140.890%0.90277%0.766SS**  trans-142.2147.5149.2-80-160.3-7.300109.2
395P38Very low33.5Very low118 Ų118145 Ų14577%0.76678%0.777SS**  trans-102.3151.4-171.738.1-33.4000113.6
396M26.7Very low32.5Very low164 Ų164145.9 Ų145.981%0.80878%0.78SS**  -174.6170.9123.6-104.1-50.6-160.600113.6
397E25.6Very low31.4Very low174 Ų174151.6 Ų151.681%0.81380%0.796SS**  trans-66.9158.3-174.8-56.3153.5131.500114.6
398G30.1Very low30.5Very low83 Ų83147.9 Ų147.986%0.85679%0.794SS**  trans164116.3169.200000114.7
399Q27.4Very low30Very low202 Ų202148 Ų14894%0.94479%0.792SS**  trans-102.5130.9-164.1-178.8174.3300114.9
400G28.8Very low29.5Very low66 Ų66147.4 Ų147.468%0.6879%0.794SS**  trans80.6162.5158.600000118.3
401D26.3Very low29Very low148 Ų148146 Ų14679%0.79179%0.794SS**  cis-165.3143.7-15-138.210.6000112.2
402L31.4Very low28.7Very low136 Ų136145.5 Ų145.571%0.71279%0.787SS**  trans52.5151.7167.3-77.375.1000119.9
403T29.8Very low28.4Very low110 Ų110147.2 Ų147.268%0.67579%0.786SS**  cis-157.8-152.1-23.934.10000105
404N29.4Very low28.2Very low108 Ų108148.9 Ų148.958%0.57879%0.785SS**  cis-163.9144.45.8-151.2-75.5000110.8
405Y27.1Very low28.2Very low237 Ų237149 Ų14993%0.92978%0.784SS**  trans-156.7135.8133-112.6-75.9000110.2
406R27.1Very low27.5Very low201 Ų201153.1 Ų153.176%0.75879%0.79SS**  trans-73.6169.8178.3-82.1171.9161154.2-6.5112.1
407M25.1Very low27.5Very low163 Ų163153.5 Ų153.580%0.80379%0.789SS**  cis-160.8170.815.3-129.7151.4172.900107.9
408A26.4Very low27.8Very low90 Ų90150.9 Ų150.974%0.74479%0.788SS**  cis-153172.97.300000112.2
409E26.9Very low27.8Very low184 Ų184153.1 Ų153.186%0.8679%0.787SS**  trans-89.4-179178.3-57.6163.281.800112.5
410A28.6Very low27.8Very low91 Ų91147.7 Ų147.775%0.75278%0.777SS**  cis-154.6-173.37.200000108.7
411A28Very low27.6Very low86 Ų86154.8 Ų154.871%0.71179%0.789SS**  cis-154.3131.37.900000109
412Q28.7Very low27.5Very low154 Ų154156.4 Ų156.472%0.7279%0.792SS**  84.613779-69.7-159.3700118.4
413R28.2Very low28.4Very low219 Ų219155.5 Ų155.583%0.82679%0.794SS**  trans87.8143.3161.9-59.5-176.5-171.5-175.72.8118.3
414K25Very low29Very low199 Ų199156 Ų15687%0.86580%0.799SS**  cis-167.3150.1-31.3-125.2-179.6-177.1-170.90109.8
415F26.8Very low28.7Very low197 Ų197158.5 Ų158.586%0.86481%0.807SS**  trans-73.3157.4174.1-85.6-101.8000114.1
416F24.1Very low29Very low204 Ų204154.1 Ų154.190%0.89580%0.799SS**  trans-152165.3140.8-114.6-77000112.1
417Q27.2Very low28.8Very low171 Ų171156.5 Ų156.580%0.79981%0.808SS**PPolyproline II helixtrans-96.8160.6-170.5-66.6170.5-72.100114
418P32.4Very low29.1Very low120 Ų120157.3 Ų157.378%0.77981%0.81SS**PPolyproline II helixtrans-87.6153.6172.435.7-35.2000113.8
419P29.7Very low29.9Very low129 Ų129158.6 Ų158.684%0.83881%0.811SS**PPolyproline II helixtrans-96.3172.9165.538.2-33000112.7
420A28Very low29.8Very low89 Ų89154.5 Ų154.574%0.73681%0.808SS**  trans-130.3158.9179.200000112.5
421F24.6Very low29.8Very low215 Ų215156.6 Ų156.694%0.94381%0.812SS**  trans-163.1174.9161-107-67.2000112.9
422Q22.8Very low29.7Very low182 Ų182162.7 Ų162.785%0.8582%0.818SS**  trans-125.7-149-172.8-60.4-178.5-45.300113.5
423P50.5Low29.9Very low116 Ų116159.5 Ų159.575%0.75381%0.812SS**  trans-101.4-168.1-133.133.4-10.1000114
424P42.3Very low30Very low120 Ų120156.7 Ų156.778%0.77981%0.814SS**  cis-128.9-148.912.136.6-10.8000113
425E24.4Very low30.4Very low161 Ų161151 Ų15175%0.75280%0.804SS**  cis-157.6-16113.3-143.4-125.783.800113.2
426L32.6Very low30.7Very low145 Ų145149.4 Ų149.476%0.75980%0.803SS**  trans-99.6154.4-168.4-71.373.8000115.6
427R23.3Very low31.2Very low251 Ų251147.1 Ų147.195%0.94780%0.795SS**  trans-162.8146.3135.9-118.6170.8-177.5150.43.1115.7
428Q29.8Very low31.7Very low180 Ų180143.6 Ų143.684%0.84180%0.796SS**  trans-107.4179.8165.2-61.5-179.5-500108.7
429P44.4Very low32.1Very low118 Ų118145.8 Ų145.877%0.76680%0.795SS**  cis-126.9-167.5-0.944.9-28.2000112.5
430A24.5Very low32.7Very low97 Ų97145.2 Ų145.280%0.80279%0.785SS**  -162.5158.885.300000112.8
431V28.8Very low33.4Very low135 Ų135145.7 Ų145.782%0.81878%0.779SS**  trans-97.2133.9177.6175.50000110.5
432Y26.6Very low34.2Very low215 Ų215141 Ų14184%0.84376%0.763SS**  trans-137.5145.3143.9-146.9-93.3000109.6
433S32.1Very low35.2Very low86 Ų86135 Ų13560%0.60175%0.745SS**  trans-116.2133.4-178.254.80000109.7
434D30.9Very low34.8Very low160 Ų160136.1 Ų136.186%0.85674%0.74SS**  trans-148.1148.4141.2-104.5-38.5000109.6
435A33Very low34.8Very low79 Ų79136.2 Ų136.265%0.65373%0.733SS**  trans-113131-175.700000110.1
436L32.3Very low35.6Very low164 Ų164136.9 Ų136.986%0.85974%0.736SS**  trans-107142.1169.8-64.4178.1000109.6
437H34.5Very low36Very low156 Ų156139 Ų13972%0.72273%0.734SS**  trans-92.6154.7-169-84.2-94.4000112.5E439H437-E439 PolarHBondContact O-N 3.14Å
438A37.5Very low36.6Very low98 Ų98135 Ų13581%0.8173%0.731SS**THydrogen-bonded Turntrans-78.635.8-171.700000114.9
439E40.9Very low36.6Very low165 Ų165133.4 Ų133.477%0.77173%0.728SS**THydrogen-bonded Turntrans-119.7-16178.5-65-171.5168.500113.5H437 V441H437-E439 PolarHBondContact O-N 3.14Å; E439-V441 VanDerWaalsContact C-N 3.26Å; E439-V441 PolarHBondContact O-N 2.95Å
440D42.9Very low36.1Very low117 Ų117135 Ų13563%0.62673%0.729SS**THydrogen-bonded Turntrans-73.2-11.5179.9-70.9-43.5000114.3
441V43.4Very low36.4Very low100 Ų100138.6 Ų138.661%0.60673%0.728SS**THydrogen-bonded Turntrans-76.3-35.2-178.1-177.40000112.4E439 A443 I445E439-V441 VanDerWaalsContact C-N 3.26Å; E439-V441 PolarHBondContact O-N 2.95Å; V441-A443 VanDerWaalsContact C-N 3.26Å; V441-A443 PolarHBondContact O-N 2.96Å; V441-I445 HydrophobicContact CG1-CD1 4.21Å
442D39.9Very low36.5Very low115 Ų115140.2 Ų140.262%0.61573%0.726SS**Hα-helixtrans-76.3-12.7-176.3-75-23.8000113.2
443A45.4Very low37Very low56 Ų56135.4 Ų135.446%0.46372%0.722SS.*Hα-helixtrans-80.4-25.9178.200000113.9V441V441-A443 VanDerWaalsContact C-N 3.26Å; V441-A443 PolarHBondContact O-N 2.96Å
444E41.7Very low37.1Very low140 Ų140136.9 Ų136.965%0.65473%0.729SS**Hα-helixtrans-84.1-38.2179.9-152.465.6-135.300111.1Q446 R447E444-Q446 PolarHBondContact O-N 3.03Å; E444-Q446 VanDerWaalsContact O-N 3.17Å; E444-R447 PolarHBondContact O-N 3.15Å; E444-R447 VanDerWaalsContact O-N 3.08Å
445I41.6Very low37.4Very low122 Ų122135.2 Ų135.263%0.62673%0.727SS**Hα-helixtrans-65.1-21.7-176.3-65.1174.8000112.5V441 R447V441-I445 HydrophobicContact CG1-CD1 4.21Å; I445-R447 VanDerWaalsContact C-N 3.29Å; I445-R447 PolarHBondContact O-N 3.06Å
446Q40.7Very low37.2Very low176 Ų176138 Ų13882%0.82274%0.735SS**THydrogen-bonded Turntrans-81.25.9174.8-65.9-168.112.200115.1E444E444-Q446 PolarHBondContact O-N 3.03Å; E444-Q446 VanDerWaalsContact O-N 3.17Å
447R40.9Very low37.1Very low188 Ų188138.5 Ų138.571%0.70974%0.738SS**THydrogen-bonded Turntrans-105.4-8.8-178.2-84.4-171.4167.976.83.7117.2E444 I445E444-R447 PolarHBondContact O-N 3.15Å; E444-R447 VanDerWaalsContact O-N 3.08Å; I445-R447 VanDerWaalsContact C-N 3.29Å; I445-R447 PolarHBondContact O-N 3.06Å
448L36.2Very low36.8Very low169 Ų169139.4 Ų139.489%0.88574%0.743SS**SBendtrans-136.766.1-176.5-71.4176.5000113.6
449D31.5Very low36.3Very low145 Ų145140.9 Ų140.978%0.77574%0.742SS**  trans-148.993.4162.7-161.12.6000112.5
450I33.9Very low35.7Very low153 Ų153138 Ų13879%0.78575%0.746SS**  trans-138.3108.1169-60.3-176.1000109.9
451H29.7Very low34.9Very low172 Ų172136.7 Ų136.780%0.79675%0.752SS**  trans-44.3146.6170.5-102.3-90.8000114.2
452H30.9Very low34.2Very low168 Ų168138.7 Ų138.778%0.77876%0.764SS**  trans-123.4123.4164.8-85.339.1000111.2
453P36.7Very low33.7Very low115 Ų115140.1 Ų140.175%0.74777%0.771SS**PPolyproline II helixtrans-83.5164.7169.534.2-33.3000112
454P34.7Very low32.9Very low116 Ų116148.3 Ų148.375%0.75379%0.79SS**PPolyproline II helixtrans-76.3154.8-171.330.9-36.8000114.1
455P37.8Very low32.2Very low125 Ų125146.4 Ų146.481%0.81280%0.798SS**PPolyproline II helixtrans-77.1132-176.230.6-35000113.3
456V27.6Very low31.5Very low137 Ų137144.8 Ų144.883%0.8381%0.812SS**PPolyproline II helixtrans-96.9126.6156.41760000106.9
457L30.7Very low30.8Very low176 Ų176140.3 Ų140.392%0.92181%0.812SS**  trans-90.7115.5178.6-153.979.2000110
458E27.3Very low30.3Very low175 Ų175140.6 Ų140.682%0.81882%0.822SS**  trans-90.8147.7-174.2-166.9165.2-15300113.3
459T27Very low30.1Very low128 Ų128139.5 Ų139.579%0.78582%0.822SS**  trans-46.2130.4-178.56.90000116.1
460A28.4Very low30.2Very low104 Ų104141.1 Ų141.186%0.8683%0.825SS**  trans-106.4127.9155.100000109.5
461A26.9Very low30Very low90 Ų90143 Ų14374%0.74483%0.83SS**  trans-130.1119.3-172.200000112.9
462V29.6Very low30Very low143 Ų143140.9 Ų140.987%0.86783%0.829SS**  trans-134.792166.8-174.80000110.9
463L29Very low30Very low145 Ų145139.5 Ų139.576%0.75983%0.832SS**  trans37.1115.9146.3-65.1172.9000121.7
464R27.2Very low29.8Very low227 Ų227139.6 Ų139.686%0.85783%0.831SS**  84.1101.8121.9-169.7-158.9-59.5-142.10.4120
465A28.1Very low29.8Very low101 Ų101140 Ų14084%0.83583%0.833SS**  -175.1146.4120.800000109.8
466G26.1Very low29.6Very low88 Ų88138.5 Ų138.591%0.90783%0.831SS**  trans-93.4169.1-173.400000115.4
467G27.3Very low30.1Very low81 Ų81137.9 Ų137.984%0.83583%0.83SS**  trans170.7129.9172.700000111.4
468E28.8Very low30.4Very low195 Ų195140.3 Ų140.391%0.91183%0.827SS**  trans-94.1134-178.8-55.6165.8123.200111
469V31.9Very low31.1Very low146 Ų146138.2 Ų138.289%0.88583%0.829SS**  trans-151.6142.5152.5-156.30000110
470E33.7Very low31.6Very low179 Ų179140 Ų14084%0.83683%0.833SS**  trans-68.7153.1166.4-59.6172.390.400112.2
471Q29.8Very low31.9Very low192 Ų192140 Ų14090%0.89783%0.826SS**  trans-151.8151.4143.9-125.7166.953.700114.8
472V29.7Very low33Very low128 Ų128141.9 Ų141.978%0.77683%0.831SS**  trans-84.4130.9-164.6176.60000112.3T474V472-T474 HydrophobicContact CG1-CG2 4.37Å
473V31.2Very low33.7Very low138 Ų138141.2 Ų141.284%0.83683%0.827SS**  trans-80.6128.9168.9179.80000110.3
474T32.9Very low34Very low118 Ų118145.6 Ų145.672%0.72483%0.833SS**  trans-121.8140.4166.853.30000110.1V472V472-T474 HydrophobicContact CG1-CG2 4.37Å
475P34.8Very low34.5Very low124 Ų124143.1 Ų143.181%0.80584%0.837SS**PPolyproline II helixtrans-85.1147.6-173.233.3-35.4000113.1
476A34.3Very low35.2Very low93 Ų93146.4 Ų146.477%0.76984%0.835SS**PPolyproline II helixtrans-68.6146-17900000113.6
477P37.3Very low36Very low125 Ų125148 Ų14881%0.81283%0.829SS**PPolyproline II helixtrans-76.1151.5176.231.9-35000112.6
478R38Very low36.3Very low227 Ų227151.1 Ų151.186%0.85783%0.831SS**PPolyproline II helixtrans-84.5150.6174.9-77.1174.6-80.1-169.6-5.9111.3
479P41.7Very low36.7Very low130 Ų130148 Ų14884%0.84483%0.826SS**PPolyproline II helixtrans-66.3152.4-177.827.4-35.4000113
480L36.4Very low36.9Very low167 Ų167145 Ų14587%0.87482%0.816SS**  trans-104.9166.5179.3-69.4172.5000112
481S35.7Very low37.3Very low102 Ų102142.5 Ų142.571%0.71382%0.815SS**  trans-62.8150.9-17249.10000115.1T483S481-T483 PolarHBondContact O-N 3.14Å; S481-T483 VanDerWaalsContact O-N 3.11Å
482P49.9Very low37.6Very low131 Ų131141.3 Ų141.385%0.85181%0.81SS**SBendtrans-79.894.6-167.531.9-36.4000113.4
483T42.9Very low37.6Very low128 Ų128141.8 Ų141.879%0.78581%0.813SS**  trans-152.152169.5-34.10000114.5S481S481-T483 PolarHBondContact O-N 3.14Å; S481-T483 VanDerWaalsContact O-N 3.11Å
484R36.9Very low37.9Very low237 Ų237141.8 Ų141.889%0.89480%0.803SS**  trans-165.1108.8157.1-121.1170.5175.2165.2-3.3111.6
485L37.3Very low38.1Very low176 Ų176143.1 Ų143.192%0.92181%0.806SS**PPolyproline II helixtrans-86.6126.9161.3-65.5174.9000108.1
486Q43.5Very low38.5Very low170 Ų170143 Ų14379%0.79481%0.806SS**PPolyproline II helixtrans-101.5138.6160.8-68.1-177.6-99.600107.4V488Q486-V488 PolarHBondContact O-N 2.91Å
487P41Very low39.2Very low122 Ų122147.8 Ų147.879%0.79281%0.812SS**PPolyproline II helixtrans-68125.517528.4-32.9000109.6
488V35.5Very low39.8Very low145 Ų145148.7 Ų148.788%0.87981%0.808SS**PPolyproline II helixtrans-81.7133.8168.1177.90000107.8Q486Q486-V488 PolarHBondContact O-N 2.91Å
489V35.8Very low40.5Very low131 Ų131142.4 Ų142.479%0.79480%0.797SS**PPolyproline II helixtrans-96.6131177.8176.80000108.6
490A36.7Very low41.3Very low82 Ų82141.6 Ų141.668%0.67879%0.786SS**PPolyproline II helixtrans-79.8154.2173.100000111
491P42.3Very low42.3Very low127 Ų127141.9 Ų141.983%0.82578%0.775SS**PPolyproline II helixtrans-67.9169.2-17928.8-35.5000113.6
492E35.8Very low43.9Very low167 Ų167141.4 Ų141.478%0.7876%0.761SS**PPolyproline II helixtrans-65.1146.8-161.3-56.2179.8165.100115.7
493V30Very low44.6Very low138 Ų138139.8 Ų139.884%0.83674%0.742SS**  trans-127.4129154176.10000106.8
494Q36.6Very low45.5Very low138 Ų138138.7 Ų138.765%0.64573%0.731SS**  trans-65.5134.4-176.8-84.164.230.200112.8
495N38.3Very low47Very low146 Ų146131.8 Ų131.878%0.78171%0.712SS**  trans33124.5155.8-58.6-13.5000119.1
496P42.3Very low48.7Very low122 Ų122130.9 Ų130.979%0.79270%0.696SS**  -113.4156.5106.132.6-35.5000112.9
497E50.3Low50Low193 Ų193127.2 Ų127.290%0.90268%0.681SS**PPolyproline II helixtrans-65.6136.5179.8-66.3177107.500112.2
498I49.6Very low50.8Low144 Ų144131 Ų13174%0.73868%0.679SS**PPolyproline II helixtrans-99.1128.7176.3-59.2177.3000108.8
499P51.9Low52.1Low95 Ų95128.1 Ų128.162%0.61767%0.671SS**PPolyproline II helixtrans-61.3169176.6-26.336000115.2
500D57.9Low53.8Low113 Ų113129.3 Ų129.360%0.60467%0.668SS**PPolyproline II helixtrans-55136.1-161.9-160.310.5000114.7E502 E503D500-E502 PolarHBondContact O-N 3.24Å; D500-E503 WeakPolarHBondContact O-CB 3.22Å; D500-E503 PolarHBondContact O-N 3.2Å
501R58.5Low55.2Low172 Ų172130.8 Ų130.865%0.64966%0.663SS**Hα-helixtrans-63.5-29.9-169.9172.6175.1172.2-87.19.8112.5E503 L505R501-E503 VanDerWaalsContact C-N 3.31Å; R501-L505 PolarHBondContact O-N 3.39Å
502E69.3Low55.7Low92 Ų92130.4 Ų130.443%0.4366%0.661SS.*Hα-helixtrans-72.9-19.2177.4-83.148.7-13200112.9D500 R506D500-E502 PolarHBondContact O-N 3.24Å; E502-R506 PolarHBondContact O-N 2.94Å
503E63.3Low56.9Low97 Ų97133.8 Ų133.845%0.45367%0.667SS.*Hα-helixtrans-78.5-44.2173.7-173.4158.9-129.600111.7D500 R501 L505 R506 I507D500-E503 WeakPolarHBondContact O-CB 3.22Å; D500-E503 PolarHBondContact O-N 3.2Å; R501-E503 VanDerWaalsContact C-N 3.31Å; E503-L505 PolarHBondContact O-N 2.87Å; E503-R506 WeakPolarHBondContact O-CA 3.2Å; E503-R506 VanDerWaalsContact O-CB 3.3Å; E503-R506 WeakPolarHBondContact O-CB 3.48Å; E503-R506 PolarHBondContact O-N 2.97Å; E503-I507 HydrophobicContact CG-CD1 4.23Å; E503-I507 WeakPolarHBondContact O-CG1 3.38Å; E503-I507 PolarHBondContact O-N 3.28Å
504L62.8Low57.7Low105 Ų105131.9 Ų131.955%0.5567%0.665SS.*Hα-helixtrans-59.8-34.5172.4-73.7171.2000112.5R508L504-R508 WeakPolarHBondContact O-CB 3.16Å; L504-R508 PolarHBondContact O-N 2.94Å
505L68.6Low58Low93 Ų93133.7 Ų133.749%0.48768%0.679SS.*Hα-helixtrans-68.8-33.2173.4-74.2169000112.6R501 E503 A509R501-L505 PolarHBondContact O-N 3.39Å; E503-L505 PolarHBondContact O-N 2.87Å; L505-A509 PolarHBondContact O-N 3.32Å
506R73.4Confident58.5Low157 Ų157136.4 Ų136.459%0.59268%0.683SS**Hα-helixtrans-69.3-50.8176.5-163.4-177-53.31689111.5E502 E503 R508 A509 E510E502-R506 PolarHBondContact O-N 2.94Å; E503-R506 WeakPolarHBondContact O-CA 3.2Å; E503-R506 VanDerWaalsContact O-CB 3.3Å; E503-R506 WeakPolarHBondContact O-CB 3.48Å; E503-R506 PolarHBondContact O-N 2.97Å; R506-R508 PolarHBondContact O-N 2.94Å; R506-A509 WeakPolarHBondContact O-CA 3.29Å; R506-A509 WeakPolarHBondContact O-CB 3.04Å; R506-A509 PolarHBondContact O-N 3.02Å; R506-E510 PolarHBondContact O-N 3.16Å; R506-E510 VanDerWaalsContact O-N 3.16Å
507I69.2Low58.7Low93 Ų93142.3 Ų142.348%0.47769%0.69SS.*Hα-helixtrans-55.1-40.7176.2-64.9164.6000110.6E503 A509 E510E503-I507 HydrophobicContact CG-CD1 4.23Å; E503-I507 WeakPolarHBondContact O-CG1 3.38Å; E503-I507 PolarHBondContact O-N 3.28Å; I507-A509 VanDerWaalsContact C-N 3.25Å; I507-A509 PolarHBondContact O-N 3.47Å; I507-E510 PolarHBondContact O-N 3.39Å
508R58.4Low58.3Low200 Ų200144.7 Ų144.776%0.75569%0.691SS**Hα-helixtrans-70.4-15.8178.6-153.5178.1-156.1165.38.4114.5L504 R506L504-R508 WeakPolarHBondContact O-CB 3.16Å; L504-R508 PolarHBondContact O-N 2.94Å; R506-R508 PolarHBondContact O-N 2.94Å
509A62.2Low57.6Low86 Ų86141.4 Ų141.471%0.71169%0.692SS**Hα-helixtrans-92.7-22.5174.300000112.9L505 R506 I507L505-A509 PolarHBondContact O-N 3.32Å; R506-A509 WeakPolarHBondContact O-CA 3.29Å; R506-A509 WeakPolarHBondContact O-CB 3.04Å; R506-A509 PolarHBondContact O-N 3.02Å; I507-A509 VanDerWaalsContact C-N 3.25Å; I507-A509 PolarHBondContact O-N 3.47Å
510E72.3Confident57Low156 Ų156141.7 Ų141.773%0.72970%0.697SS**Hα-helixtrans-87.1-19.9-174.8-165.3156.9-168.200113.6R506 I507 P512R506-E510 PolarHBondContact O-N 3.16Å; R506-E510 VanDerWaalsContact O-N 3.16Å; I507-E510 PolarHBondContact O-N 3.39Å; E510-P512 WeakPolarHBondContact O-CD 3.39Å
511I67Low56Low112 Ų112142 Ų14257%0.57470%0.702SS**SBendtrans-67.2118.3175.1-62164.8000110.6R513I511-R513 PolarHBondContact O-N 3.15Å
512P51.6Low55.2Low120 Ų120141.7 Ų141.778%0.77971%0.713SS**PPolyproline II helixtrans-69.9117.6-177.427.5-34.2000111.6E510 A514E510-P512 WeakPolarHBondContact O-CD 3.39Å; P512-A514 PolarHBondContact O-N 3.23Å
513R61.8Low53.5Low238 Ų238143.5 Ų143.590%0.89873%0.73SS**PPolyproline II helixtrans-68.7131.8178.1-67.8-174.3176.4-159.6-1111.4I511I511-R513 PolarHBondContact O-N 3.15Å
514A45.5Very low52.5Low98 Ų98144 Ų14481%0.8174%0.744SS**PPolyproline II helixtrans-56.7143.4-177.300000113.9P512 K516P512-A514 PolarHBondContact O-N 3.23Å; A514-K516 PolarHBondContact O-N 2.66Å
515L43.1Very low50.9Low176 Ų176149.2 Ų149.292%0.92176%0.763SS**  trans-62.697.4-174.4-80.7152.9000113.4R517L515-R517 PolarHBondContact O-N 2.77Å
516K50.6Low49.1Very low202 Ų202149.4 Ų149.488%0.87877%0.772SS**  trans-75.4114.6167.5-153.6169.2-172.7176.70109.2A514A514-K516 PolarHBondContact O-N 2.66Å
517R46.5Very low47.1Very low246 Ų246147.8 Ų147.893%0.92878%0.78SS**  trans-59.5145.4-178.5-66.6-175.678.4-172.14.4111.1L515L515-R517 PolarHBondContact O-N 2.77Å
518R41.3Very low45.3Very low244 Ų244152.9 Ų152.992%0.92180%0.798SS**  trans-73.2150.5-169.8-65-175.4177-153.70.7113.7
519G35.4Very low44.2Very low75 Ų75153.4 Ų153.477%0.77381%0.806SS**  trans147.555.2170.900000111.6
520S39.3Very low42.5Very low101 Ų101153.7 Ų153.771%0.70681%0.808SS**  cis83.2128.143.9-165.60000113.9
521V35.4Very low40.7Very low118 Ų118151.2 Ų151.272%0.71581%0.808SS**  trans81.995.9173.8-170.40000116.6V523V521-V523 HydrophobicContact CG1-CG2 3.69Å
522D41.5Very low39.8Very low166 Ų166154.3 Ų154.389%0.88882%0.82SS**  trans-72132.3147.1-63.3-82000110.2
523V33.8Very low38.9Very low130 Ų130158.4 Ų158.479%0.78882%0.822SS**  trans-134.9124.2160.5165.40000108.7V521V521-V523 HydrophobicContact CG1-CG2 3.69Å
524S43Very low37.9Very low107 Ų107153.8 Ų153.875%0.74881%0.81SS**  trans-91.4136.5-17954.30000112.6
525K29.2Very low37.9Very low216 Ų216153.8 Ų153.894%0.93980%0.802SS**  trans-167.7164.3146.4-107.9153-171.51730111.3
526S31.6Very low38.5Very low97 Ų97149.4 Ų149.468%0.67878%0.779SS**  trans-123165.3-154.753.30000114.6
527T30Very low38.7Very low123 Ų123147 Ų14776%0.75577%0.771SS**  trans74.1150.5173.583.10000114.6
528K31.4Very low38.9Very low199 Ų199141.7 Ų141.787%0.86575%0.752SS**  cis-134.1177.813.2-69.2177.2-178.9176.90112.5
529K36.3Very low39.5Very low212 Ų212135.4 Ų135.492%0.92273%0.732SS**  trans-74.5142.3-179.2-56.6175.2-179.5178.70113.9
530A26.4Very low40.6Very low91 Ų91136.1 Ų136.175%0.75272%0.721SS**  trans-162.9144.2149.300000105.1
531S33.3Very low41.5Very low105 Ų105136.6 Ų136.673%0.73472%0.715SS**  cis168.795.5-9.145.90000104.3
532Q49.3Very low42.8Very low177 Ų177135.3 Ų135.383%0.82770%0.703SS**  trans19.4113.5153-176.7176.1-2.900118.4
533Y33.3Very low43Very low205 Ų205133.9 Ų133.980%0.80469%0.691SS**  trans-137.5161.7163-133.1-97.1000113.5
534Q39.8Very low43.9Very low141 Ų141135.5 Ų135.566%0.65969%0.687SS**  trans-92.8138.1-152.8-66.6-75.2-3.400115.5
535P45.6Very low44.3Very low99 Ų99136.7 Ų136.764%0.64368%0.684SS**SBendtrans-85.9108.9169.532.9-30.6000111.6
536N56.3Low45.4Very low83 Ų83134.4 Ų134.444%0.44468%0.675SS.*  trans-176.9-5.2157.8-98.1-43.2000116Y538 K539N536-Y538 PolarHBondContact O-N 3.48Å; N536-K539 PolarHBondContact O-N 3.35Å; N536-K539 WeakPolarHBondContact OD1-CD 3.41Å; N536-K539 VanDerWaalsContact OD1-CE 3.26Å; N536-K539 WeakPolarHBondContact OD1-CE 3.47Å; N536-K539 PolarHBondContact OD1-NZ 3.3Å
537Q53.8Low46.4Very low151 Ų151137 Ų13771%0.70668%0.675SS**Hα-helixtrans-52.3-29.6-170.5-73.4-179.3-20.500115.5K539 T540Q537-K539 VanDerWaalsContact C-N 3.28Å; Q537-K539 PolarHBondContact O-N 3.11Å; Q537-T540 PolarHBondContact O-N 2.87Å
538Y50.6Low46.7Very low136 Ų136142.6 Ų142.653%0.53368%0.683SS.*Hα-helixtrans-60.2-32177.964.2-90.7000113.7N536 T540 I541 I542N536-Y538 PolarHBondContact O-N 3.48Å; Y538-T540 VanDerWaalsContact C-N 3.35Å; Y538-T540 PolarHBondContact O-N 2.7Å; Y538-I541 PolarHBondContact O-N 2.89Å; Y538-I542 HydrophobicContact CD2-CD1 4.14Å; Y538-I542 WeakPolarHBondContact O-CG1 3.48Å; Y538-I542 PolarHBondContact O-N 3.14Å
539K55.4Low47Very low111 Ų111141.9 Ų141.948%0.48368%0.68SS.*Hα-helixtrans-65.1-38.3-178.9-67-177.1179.3156.40112.1N536 Q537 I541 I542 H543N536-K539 PolarHBondContact O-N 3.35Å; N536-K539 WeakPolarHBondContact OD1-CD 3.41Å; N536-K539 VanDerWaalsContact OD1-CE 3.26Å; N536-K539 WeakPolarHBondContact OD1-CE 3.47Å; N536-K539 PolarHBondContact OD1-NZ 3.3Å; Q537-K539 VanDerWaalsContact C-N 3.28Å; Q537-K539 PolarHBondContact O-N 3.11Å; K539-I541 VanDerWaalsContact C-N 3.28Å; K539-I541 PolarHBondContact O-N 2.92Å; K539-I542 PolarHBondContact O-N 2.59Å; K539-H543 WeakPolarHBondContact O-CB 3.42Å; K539-H543 PolarHBondContact O-N 3.03Å
540T56.8Low46.9Very low91 Ų91138.5 Ų138.556%0.55867%0.672SS**Hα-helixtrans-69.7-25.8-179.4-320000112.8Q537 Y538 K544Q537-T540 PolarHBondContact O-N 2.87Å; Y538-T540 VanDerWaalsContact C-N 3.35Å; Y538-T540 PolarHBondContact O-N 2.7Å; T540-K544 WeakPolarHBondContact O-CG 3.39Å
541I58.5Low47.1Very low111 Ų111143 Ų14357%0.56968%0.677SS**Hα-helixtrans-76.5-49.3175.6-59.1172.5000109.6Y538 K539 H543 K544 L545Y538-I541 PolarHBondContact O-N 2.89Å; K539-I541 VanDerWaalsContact C-N 3.28Å; K539-I541 PolarHBondContact O-N 2.92Å; I541-H543 VanDerWaalsContact C-N 3.3Å; I541-H543 PolarHBondContact O-N 3.05Å; I541-K544 PolarHBondContact O-N 3.22Å; I541-K544 VanDerWaalsContact O-N 3.11Å; I541-L545 HydrophobicContact CG2-CD1 4.43Å; I541-L545 PolarHBondContact O-N 2.82Å
542I62.1Low47.1Very low90 Ų90149.3 Ų149.346%0.46269%0.685SS.*Hα-helixtrans-54.9-46.2176.7-67.1164.8000110.7Y538 K539 K544 L545 F546Y538-I542 HydrophobicContact CD2-CD1 4.14Å; Y538-I542 WeakPolarHBondContact O-CG1 3.48Å; Y538-I542 PolarHBondContact O-N 3.14Å; K539-I542 PolarHBondContact O-N 2.59Å; I542-K544 PolarHBondContact O-N 3.02Å; I542-L545 PolarHBondContact O-N 2.92Å; I542-F546 HydrophobicContact CG2-CD2 4.28Å; I542-F546 HydrophobicContact CG2-CE2 4.15Å; I542-F546 WeakPolarHBondContact O-CD2 3.34Å
543H46.5Very low46.2Very low137 Ų137148.6 Ų148.663%0.63469%0.686SS**Hα-helixtrans-67.5-16.4-177.5-148.1-53.3000114.5K539 I541K539-H543 WeakPolarHBondContact O-CB 3.42Å; K539-H543 PolarHBondContact O-N 3.03Å; I541-H543 VanDerWaalsContact C-N 3.3Å; I541-H543 PolarHBondContact O-N 3.05Å
544K53.6Low46Very low163 Ų163148.9 Ų148.971%0.70969%0.692SS**Hα-helixtrans-89-24.2175.4-75.2-178176.7-175.10113.5T540 I541 I542T540-K544 WeakPolarHBondContact O-CG 3.39Å; I541-K544 PolarHBondContact O-N 3.22Å; I541-K544 VanDerWaalsContact O-N 3.11Å; I542-K544 PolarHBondContact O-N 3.02Å
545L51.8Low45.5Very low132 Ų132146.7 Ų146.769%0.69170%0.698SS**Hα-helixtrans-74.8-30.5-178.1-76.9162.7000113.2I541 I542I541-L545 HydrophobicContact CG2-CD1 4.43Å; I541-L545 PolarHBondContact O-N 2.82Å; I542-L545 PolarHBondContact O-N 2.92Å
546F51.4Low44.8Very low169 Ų169150.5 Ų150.574%0.74171%0.707SS**THydrogen-bonded Turntrans-94.74.2-171.6-70.5-72000116I542I542-F546 HydrophobicContact CG2-CD2 4.28Å; I542-F546 HydrophobicContact CG2-CE2 4.15Å; I542-F546 WeakPolarHBondContact O-CD2 3.34Å
547H52.6Low43.7Very low150 Ų150156.3 Ų156.369%0.69473%0.729SS**  trans-130.810.9-173.7-85.97.8000116.1K549H547-K549 PolarHBondContact O-N 3.06Å; H547-K549 VanDerWaalsContact O-N 3.14Å
548R36.8Very low42.5Very low241 Ų241152.9 Ų152.991%0.90973%0.733SS**  trans-86.182.6172.5-161.7173-169.9176.52.3111.2
549K36.8Very low41.7Very low184 Ų184151.3 Ų151.380%0.874%0.742SS**  trans-61.1152.2-179.8-173.2174.1178.4179.40113.3H547H547-K549 PolarHBondContact O-N 3.06Å; H547-K549 VanDerWaalsContact O-N 3.14Å
550D34.6Very low40.5Very low141 Ų141153 Ų15375%0.75476%0.757SS**  trans-59.3147.1-176.4-45.6-102.3000115.1
551H31.2Very low39.4Very low187 Ų187154.1 Ų154.187%0.86677%0.768SS**  trans-153.1142.7154.5-92.3-64.9000111.8
552R31.4Very low38.1Very low237 Ų237154.3 Ų154.389%0.89478%0.779SS**  trans69.6129.1175.7-62.5-178.9172.7-178.1-3.8114.3
553N30.9Very low36.6Very low161 Ų161155.6 Ų155.686%0.86180%0.796SS**  cis-131.8163.327.2-73.8-50.6000114.2
554K30.6Very low35.9Very low212 Ų212156.8 Ų156.892%0.92281%0.808SS**  trans-142.4120.8168.2-176.8-174.2178.6-173.70111
555A28.3Very low35Very low95 Ų95152.8 Ų152.879%0.78581%0.812SS**  trans-164.1139.3165.100000106.3
556E31.6Very low34.1Very low178 Ų178155.4 Ų155.483%0.83282%0.821SS**  cis-137.4166.3-2.2-58.1-179.6119.600110.3
557K32.6Very low33.3Very low206 Ų206155.5 Ų155.590%0.89682%0.824SS**  trans141.6145.7135.1-82.6-169.2172.8-1740113.8
558G28.9Very low33Very low78 Ų78153.3 Ų153.380%0.80482%0.823SS**  trans95.8107.3146.900000116.5
559S33.9Very low32.6Very low104 Ų104146.2 Ų146.273%0.72782%0.816SS**  trans-69.7175.2152.7-42.10000109.8
560D30.1Very low32.2Very low147 Ų147146.1 Ų146.179%0.78682%0.82SS**  cis-147.8170.622.5-71.9-74.5000112.1
561S32.3Very low33.4Very low114 Ų114144 Ų14480%0.79781%0.814SS**  trans43.7123.3159.7-540000120.4
562S31.1Very low34.3Very low114 Ų114140.4 Ų140.480%0.79781%0.807SS**  cis8310138.7-170.10000115.8
563S31.4Very low34.3Very low118 Ų118136.1 Ų136.183%0.82580%0.802SS**  trans-176.3140.1141-170.40000110.1
564D32.8Very low34.5Very low162 Ų162136.1 Ų136.187%0.86680%0.802SS**  trans-105.1170.9-171.5-54.2-76.1000114.5
565G33.4Very low35.2Very low78 Ų78131.4 Ų131.480%0.80479%0.792SS**  trans169.8139.9171.400000113.4
566E33.5Very low36Very low188 Ų188132.1 Ų132.188%0.87979%0.789SS**  trans-122.2159.3-165.3-57.5-171.1130.100115.8
567E34.3Very low35.9Very low171 Ų171129.5 Ų129.580%0.79979%0.786SS**  trans66.9167.4145.4-80.1-66.487.500120
568P47Very low35.7Very low103 Ų103125.8 Ų125.867%0.66978%0.78SS**  trans-135.5-170.3-135.144.8-27000117.9
569A27.1Very low35.8Very low93 Ų93133 Ų13377%0.76978%0.783SS**  trans102.995.3148.800000122.5
570M30.2Very low35.7Very low181 Ų181134.4 Ų134.489%0.89279%0.787SS**  78.7176.9127.4-118-179.881.900120.4
571P58.8Low36.1Very low97 Ų97133 Ų13363%0.6379%0.786SS**  -119.6-167.9-117.646.3-29.8000114.6
572P50.8Low36.2Very low111 Ų111133.1 Ų133.172%0.72178%0.784SS**  -156.2-1638441.9-19.8000117.3
573D31.5Very low36.7Very low147 Ų147134.4 Ų134.479%0.78679%0.787SS**  trans104.6155.1158.8-64.5-12000121.9
574L35.6Very low36.9Very low162 Ų162135.6 Ų135.685%0.84878%0.783SS**  trans-124.7-142.9-138.1-64.2163.2000116.4
575P44.5Very low37.2Very low112 Ų112133.6 Ų133.673%0.72778%0.779SS**  -125.7-158.2-11845.2-25.2000113.4
576P45.6Very low37.7Very low110 Ų110138.3 Ų138.371%0.71478%0.78SS**  cis-134.3149.1-835.1-14.7000118.4
577T29.2Very low38.4Very low124 Ų124135.5 Ų135.576%0.76177%0.771SS**  trans43.1113.5137.6-29.80000123
578T29Very low38.6Very low127 Ų127135.9 Ų135.978%0.77977%0.773SS**  168.6112.6106.435.60000114.8
579R29.9Very low38.7Very low229 Ų229137.8 Ų137.886%0.86477%0.771SS**  157132.3126.2-91.3-179.6146-169.5-7.4115.2
580T31.4Very low39.6Very low134 Ų134143 Ų14382%0.82277%0.772SS**  trans72.6157.515241.60000119.4
581P38.4Very low40.7Very low118 Ų118140.9 Ų140.977%0.76676%0.764SS**PPolyproline II helixtrans-93.7173-141.638.9-39000115.6
582P35.5Very low40.5Very low116 Ų116139.4 Ų139.475%0.75376%0.756SS**PPolyproline II helixtrans-86.9151.8-151.633.4-36.6000116
583V40.4Very low41Very low142 Ų142142.6 Ų142.686%0.86177%0.765SS**PPolyproline II helixtrans-75.5126.7159.3176.50000108.7
584I37.1Very low42.3Very low143 Ų143142.9 Ų142.973%0.73377%0.766SS**PPolyproline II helixtrans-90.8139.8171-61.6177.8000108.5
585P38.5Very low43.3Very low120 Ų120145.9 Ų145.978%0.77977%0.766SS**PPolyproline II helixtrans-58.1161.9177.6-26.636.2000114.8
586Q44.4Very low43.9Very low176 Ų176147.9 Ų147.982%0.82276%0.763SS**PPolyproline II helixtrans-81.7172.3-178.5-64.3-169.14.500113.5
587D47.5Very low44.4Very low130 Ų130149.1 Ų149.170%0.69577%0.771SS**  trans65.291.6165.8-72.3-36000118.5
588E39.1Very low45.7Very low178 Ų178146.7 Ų146.783%0.83277%0.771SS**  -120.3121111.7-95.4-98.6116.800108.8Y590E588-Y590 PolarHBondContact O-N 3.07Å; E588-Y590 VanDerWaalsContact O-N 3.08Å
589K47.8Very low47Very low144 Ų144151.4 Ų151.463%0.62677%0.774SS**  trans-87.877.9-168-178.3180168.6-175.30110.8N591K589-N591 PolarHBondContact O-N 2.94Å
590Y46Very low48.4Very low203 Ų203150.5 Ų150.580%0.79678%0.776SS**  trans-50.8109.9168.9-77.9-84.8000110.4E588 S592E588-Y590 PolarHBondContact O-N 3.07Å; E588-Y590 VanDerWaalsContact O-N 3.08Å; Y590-S592 PolarHBondContact O-N 2.94Å
591N54.4Low49.6Very low135 Ų135152.1 Ų152.172%0.72277%0.772SS**  trans-77.875.5178.8-75.7-44.8000109.8K589 I593K589-N591 PolarHBondContact O-N 2.94Å; N591-I593 PolarHBondContact O-N 3.4Å
592S53.2Low50.7Low67 Ų67152.1 Ų152.147%0.46978%0.775SS.*  trans-59.8118.6176.4650000110.7Y590 L594Y590-S592 PolarHBondContact O-N 2.94Å; S592-L594 CarbonylContact C-O 3.48Å; S592-L594 WeakPolarHBondContact CB-O 3.46Å; S592-L594 PolarHBondContact O-N 3.35Å; S592-L594 PolarHBondContact OG-O 3.19Å
593I62.5Low51.8Low177 Ų177148.9 Ų148.991%0.90876%0.762SS**SBendtrans-65.9-27.2171.3-59.6175.9000109.9N591 R595N591-I593 PolarHBondContact O-N 3.4Å; I593-R595 PolarHBondContact O-N 3.2Å
594L57.4Low53.2Low153 Ų153154.2 Ų154.280%0.80177%0.767SS**SBendtrans-62.3126.2162.1-70.1169.1000110.5S592 K596S592-L594 CarbonylContact C-O 3.48Å; S592-L594 WeakPolarHBondContact CB-O 3.46Å; S592-L594 PolarHBondContact O-N 3.35Å; S592-L594 PolarHBondContact OG-O 3.19Å; L594-K596 PolarHBondContact O-N 2.79Å
595R56.7Low55.2Low225 Ų225158.2 Ų158.285%0.84977%0.773SS**PPolyproline II helixtrans-60.3129.2-177.7-68.7178.4175.7174.80.9111.3I593I593-R595 PolarHBondContact O-N 3.2Å
596K58.8Low57.3Low154 Ų154157 Ų15767%0.6777%0.773SS**PPolyproline II helixtrans-57.8125.7169.6-64.3-164.2175.9-162.30110.8L594 G598L594-K596 PolarHBondContact O-N 2.79Å; K596-G598 PolarHBondContact O-N 3.23Å
597P55.5Low59.3Low136 Ų136157.7 Ų157.788%0.88377%0.773SS**THydrogen-bonded Turntrans-68.4122.6172.428.9-32.9000108.9
598G56.5Low61.2Low73 Ų73156.2 Ų156.275%0.75377%0.765SS**THydrogen-bonded Turntrans147.7-37.8178.600000114.3K596 K600K596-G598 PolarHBondContact O-N 3.23Å; G598-K600 PolarHBondContact O-N 2.96Å
599R54.9Low63.8Low226 Ų226150.6 Ų150.685%0.85375%0.745SS**  trans-78.593.7168.3-76.8-163.9178.6-137.91109.8K601R599-K601 PolarHBondContact O-N 3.49Å
600K60.2Low66Low210 Ų210145.4 Ų145.491%0.91373%0.726SS**  trans-60.772.5155.9-71.9-174.3179.7179.70109.3G598 S602G598-K600 PolarHBondContact O-N 2.96Å; K600-S602 PolarHBondContact O-N 3.33Å
601K56.9Low68.3Low168 Ų168137 Ų13773%0.7370%0.695SS**  trans-60.1108.8156.8-75.3-169.8176.2-172.40105R599 G603R599-K601 PolarHBondContact O-N 3.49Å; K601-G603 PolarHBondContact O-N 3.08Å
602S60.4Low70.2Confident119 Ų119133.8 Ų133.883%0.83268%0.68SS**  trans-59.692.6154-175.40000105.5K600 R604K600-S602 PolarHBondContact O-N 3.33Å; S602-R604 PolarHBondContact O-N 3.45Å
603G59.8Low72.2Confident47 Ų47133.1 Ų133.149%0.48567%0.671SS.*  trans-61.2134175.500000106.8K601 R605K601-G603 PolarHBondContact O-N 3.08Å; G603-R605 PolarHBondContact O-N 3.06Å
604R69.3Low73.8Confident254 Ų254124.7 Ų124.796%0.95863%0.628SS**  trans-66.377.6166.8-66176.369.3-170.52107.3S602 A606S602-R604 PolarHBondContact O-N 3.45Å; R604-A606 PolarHBondContact O-N 2.89Å
605R78.6Confident75.7Confident228 Ų228118.3 Ų118.386%0.8659%0.594SS**PPolyproline II helixtrans-55.8134.1170.3-63.7-176.378.71782.9105.8G603 K607G603-R605 PolarHBondContact O-N 3.06Å; R605-K607 PolarHBondContact O-N 3.04Å
606A83.9Confident77.5Confident93 Ų93112.1 Ų112.177%0.76958%0.578SS**PPolyproline II helixtrans-56.9128.8170.500000108R604R604-A606 PolarHBondContact O-N 2.89Å
607K84.9Confident79.3Confident191 Ų191104.9 Ų104.983%0.8355%0.547SS*.PPolyproline II helixtrans-101.8123.2164-72.4-165.1168.8-151.10106.3R605R605-K607 PolarHBondContact O-N 3.04Å
608L89.4Confident81.3Confident99 Ų9998.4 Ų98.452%0.51851%0.505SS..PPolyproline II helixtrans-82.2168.5165-68.293.2000108.8V612 L613L608-V612 HydrophobicContact CD2-CG1 3.88Å; L608-L613 HydrophobicContact CB-CD1 4.47Å; L608-L613 HydrophobicContact CB-CD2 4.06Å; L608-L613 HydrophobicContact CB-CG 4.01Å; L608-L613 HydrophobicContact CD1-CD2 4.28Å
609S92.8Very high83.2Confident61 Ų6198.8 Ų98.843%0.42749%0.489SS..PPolyproline II helixtrans-66.6140.9167.6177.10000109.5L611 V612 L613S609-L611 PolarHBondContact O-N 3Å; S609-L611 PolarHBondContact OG-N 2.83Å; S609-V612 PolarHBondContact O-N 2.96Å; S609-L613 PolarHBondContact O-N 3.19Å; S609-L613 VanDerWaalsContact O-N 3.1Å
610P94.3Very high85.2Confident34 Ų3494.3 Ų94.322%0.22148%0.48CS..Hα-helixtrans-58.7-33.3175.324.4-33.8000111.8V612 L613 L614 A629 E632P610-V612 VanDerWaalsContact C-N 3.32Å; P610-V612 PolarHBondContact O-N 3.23Å; P610-L613 PolarHBondContact O-N 3.39Å; P610-L614 PolarHBondContact O-N 3.26Å; P610-A629 WeakPolarHBondContact O-CB 3.39Å; P610-E632 HydrophobicContact CB-CB 3.93Å; P610-E632 HydrophobicContact CG-CB 4.44Å
611L94.6Very high86.9Confident26 Ų2685.5 Ų85.514%0.13645%0.449CS..Hα-helixtrans-59.1-41.3172.5176.962.9000112.5S609 L614 L615 M633 Q638S609-L611 PolarHBondContact O-N 3Å; S609-L611 PolarHBondContact OG-N 2.83Å; L611-L614 PolarHBondContact O-N 2.91Å; L611-L615 HydrophobicContact CD1-CD1 3.96Å; L611-L615 HydrophobicContact CD1-CG 4.2Å; L611-L615 HydrophobicContact CG-CD1 3.91Å; L611-L615 VanDerWaalsContact O-CG 3.27Å; L611-L615 WeakPolarHBondContact O-CG 3.21Å; L611-L615 PolarHBondContact O-N 2.82Å; L611-M633 HydrophobicContact CD1-CE 4.18Å; L611-Q638 HydrophobicContact CD1-CB 4.06Å; L611-Q638 HydrophobicContact CD1-CG 4.05Å; L611-Q638 WeakPolarHBondContact CD1-O 3.46Å; L611-Q638 HydrophobicContact CD2-CG 3.97Å
612V94.4Very high88.8Confident69 Ų6982.5 Ų82.542%0.41844%0.437SS..Hα-helixtrans-69.5-38.7178.7175.90000110.4L608 S609 P610 L615 D616L608-V612 HydrophobicContact CD2-CG1 3.88Å; S609-V612 PolarHBondContact O-N 2.96Å; P610-V612 VanDerWaalsContact C-N 3.32Å; P610-V612 PolarHBondContact O-N 3.23Å; V612-L615 PolarHBondContact O-N 3.21Å; V612-D616 WeakPolarHBondContact O-CB 3.39Å; V612-D616 PolarHBondContact O-N 3.2Å
613L94.9Very high90.4Very high53 Ų5378.8 Ų78.828%0.27741%0.407SS..Hα-helixtrans-67.1-34.5174.8-65.6174.4000112.7L608 S609 P610 G617 T625 A629L608-L613 HydrophobicContact CB-CD1 4.47Å; L608-L613 HydrophobicContact CB-CD2 4.06Å; L608-L613 HydrophobicContact CB-CG 4.01Å; L608-L613 HydrophobicContact CD1-CD2 4.28Å; S609-L613 PolarHBondContact O-N 3.19Å; S609-L613 VanDerWaalsContact O-N 3.1Å; P610-L613 PolarHBondContact O-N 3.39Å; L613-G617 WeakPolarHBondContact O-CA 3.3Å; L613-G617 PolarHBondContact O-N 3.5Å; L613-T625 HydrophobicContact CB-CG2 4.06Å; L613-T625 HydrophobicContact CD2-CG2 4.47Å; L613-A629 HydrophobicContact CB-CB 4.03Å
614L96.1Very high92.1Very high0 Ų081.5 Ų81.50%041%0.41CS..Hα-helixtrans-63.7-53170.716861.8000110.6P610 L611 A618 V626 A629 V630 M633 L662P610-L614 PolarHBondContact O-N 3.26Å; L611-L614 PolarHBondContact O-N 2.91Å; L614-A618 WeakPolarHBondContact O-CB 3.49Å; L614-A618 PolarHBondContact O-N 3.44Å; L614-V626 HydrophobicContact CD1-CG1 3.78Å; L614-V626 HydrophobicContact CD1-CG2 4.49Å; L614-A629 HydrophobicContact CB-CB 3.97Å; L614-V630 HydrophobicContact CD1-CG2 4.05Å; L614-M633 HydrophobicContact CD2-CE 3.66Å; L614-M633 HydrophobicContact CD2-SD 3.64Å; L614-L662 HydrophobicContact CD1-CD1 4.43Å; L614-L662 HydrophobicContact CD1-CD2 3.82Å
615L96.1Very high93.3Very high19 Ų1970 Ų7010%0.09937%0.369CS..Hα-helixtrans-64.1-45.1-175.1-70.2165.3000112L611 V612 L619 N640 N649L611-L615 HydrophobicContact CD1-CD1 3.96Å; L611-L615 HydrophobicContact CD1-CG 4.2Å; L611-L615 HydrophobicContact CG-CD1 3.91Å; L611-L615 VanDerWaalsContact O-CG 3.27Å; L611-L615 WeakPolarHBondContact O-CG 3.21Å; L611-L615 PolarHBondContact O-N 2.82Å; V612-L615 PolarHBondContact O-N 3.21Å; L615-L619 WeakPolarHBondContact O-CB 3.45Å; L615-L619 PolarHBondContact O-N 2.92Å; L615-L619 VanDerWaalsContact O-N 3.11Å; L615-N640 HydrophobicContact CD1-CB 3.89Å; L615-N649 PolarHBondContact O-ND2 3.3Å
616D96.1Very high94.1Very high94 Ų9459.1 Ų59.150%0.50333%0.328SS..Hα-helixtrans-69.4-48.6178.5-169.159.7000111V612 A618 L619 M620V612-D616 WeakPolarHBondContact O-CB 3.39Å; V612-D616 PolarHBondContact O-N 3.2Å; D616-A618 VanDerWaalsContact C-N 3.31Å; D616-A618 PolarHBondContact O-N 3.23Å; D616-L619 PolarHBondContact O-N 3.23Å; D616-M620 WeakPolarHBondContact O-CB 3.48Å; D616-M620 WeakPolarHBondContact O-CG 3.34Å; D616-M620 PolarHBondContact O-N 3.24Å
617G96.1Very high94.6Very high2 Ų258.5 Ų58.52%0.02131%0.31CS..Hα-helixtrans-62.4-35.2177.100000113.3L613 G621 E622 V626L613-G617 WeakPolarHBondContact O-CA 3.3Å; L613-G617 PolarHBondContact O-N 3.5Å; G617-G621 CarbonylContact O-C 3.56Å; G617-G621 PolarHBondContact O-N 3.3Å; G617-E622 PolarHBondContact O-N 3.08Å; G617-V626 VanDerWaalsContact C-CG2 3.48Å
618A97.2Very high95Very high0 Ų055.5 Ų55.50%029%0.293CS..Hα-helixtrans-73.4-35.5176.100000112.7L614 D616 M620 V626 G646 N649 A650 H655 V658L614-A618 WeakPolarHBondContact O-CB 3.49Å; L614-A618 PolarHBondContact O-N 3.44Å; D616-A618 VanDerWaalsContact C-N 3.31Å; D616-A618 PolarHBondContact O-N 3.23Å; A618-M620 VanDerWaalsContact C-N 3.3Å; A618-V626 HydrophobicContact CB-CG2 4.11Å; A618-G646 WeakPolarHBondContact CB-O 3.15Å; A618-N649 HydrophobicContact CB-CB 4.24Å; A618-A650 HydrophobicContact CB-CB 4.33Å; A618-A650 WeakPolarHBondContact O-CA 3.35Å; A618-H655 PolarHBondContact O-CD2 3.09Å; A618-H655 VanDerWaalsContact O-CD2 3.31Å; A618-V658 HydrophobicContact CB-CG1 4.07Å
619L96.6Very high95.2Very high81 Ų8151 Ų5142%0.42427%0.27SS..Hα-helixtrans-70-27.6175-174.461.6000112.8L615 D616 N649 H655L615-L619 WeakPolarHBondContact O-CB 3.45Å; L615-L619 PolarHBondContact O-N 2.92Å; L615-L619 VanDerWaalsContact O-N 3.11Å; D616-L619 PolarHBondContact O-N 3.23Å; L619-N649 HydrophobicContact CB-CB 3.99Å; L619-N649 HydrophobicContact CD1-CB 4.35Å; L619-H655 PolarHBondContact O-NE2 3.03Å
620M96.7Very high95.2Very high133 Ų13348.3 Ų48.366%0.65525%0.251SS*.THydrogen-bonded Turntrans-100.4-2.8-178.5-66.1-60.3-51.200114.1D616 A618 E622D616-M620 WeakPolarHBondContact O-CB 3.48Å; D616-M620 WeakPolarHBondContact O-CG 3.34Å; D616-M620 PolarHBondContact O-N 3.24Å; A618-M620 VanDerWaalsContact C-N 3.3Å; M620-E622 VanDerWaalsContact C-N 3.32Å; M620-E622 PolarHBondContact O-N 3Å
621G95.6Very high95.1Very high25 Ų2555.3 Ų55.326%0.25828%0.278SS..THydrogen-bonded Turntrans73.113.7-178.600000115.5G617 M623 H655G617-G621 CarbonylContact O-C 3.56Å; G617-G621 PolarHBondContact O-N 3.3Å; G621-M623 VanDerWaalsContact C-N 3.29Å; G621-M623 PolarHBondContact O-N 3.48Å; G621-H655 PolarHBondContact N-CD2 2.81Å; G621-H655 VanDerWaalsContact N-CD2 3.26Å; G621-H655 PolarHBondContact N-NE2 3.14Å
622E96.3Very high94.9Very high105 Ų10560.1 Ų60.149%0.49130%0.3SS..  trans-77.876.8-179.5-163.5-170.6-163.700111.3G617 M620 D624 T625 V626G617-E622 PolarHBondContact O-N 3.08Å; M620-E622 VanDerWaalsContact C-N 3.32Å; M620-E622 PolarHBondContact O-N 3Å; E622-D624 VanDerWaalsContact C-N 3.25Å; E622-D624 PolarHBondContact O-N 3.14Å; E622-D624 VanDerWaalsContact O-N 3.16Å; E622-T625 PolarHBondContact O-N 2.88Å; E622-T625 PolarHBondContact OE1-OG1 3.31Å; E622-T625 WeakPolarHBondContact OE2-CB 3.46Å; E622-T625 PolarHBondContact OE2-OG1 3.01Å; E622-V626 PolarHBondContact O-N 3.41Å
623M95.8Very high94.6Very high41 Ų4158.3 Ų58.320%0.20229%0.287CS..Hα-helixtrans-44.7-46.8177.8178.360.379.600112.8G621 T625 V626 M627 E657 V658 F661G621-M623 VanDerWaalsContact C-N 3.29Å; G621-M623 PolarHBondContact O-N 3.48Å; M623-T625 VanDerWaalsContact C-N 3.26Å; M623-T625 PolarHBondContact O-N 3.46Å; M623-V626 PolarHBondContact O-N 2.98Å; M623-V626 VanDerWaalsContact O-N 3.14Å; M623-M627 HydrophobicContact CG-CE 4.15Å; M623-M627 HydrophobicContact CG-CG 4.19Å; M623-M627 HydrophobicContact CG-SD 4.39Å; M623-M627 WeakPolarHBondContact O-CB 3.48Å; M623-M627 VanDerWaalsContact O-CG 3.3Å; M623-M627 WeakPolarHBondContact O-CG 3.42Å; M623-M627 PolarHBondContact O-N 3.49Å; M623-M627 HydrophobicContact SD-CG 3.86Å; M623-M627 HydrophobicContact SD-SD 4.49Å; M623-E657 VanDerWaalsContact CE-C 3.42Å; M623-E657 HydrophobicContact CE-CB 3.81Å; M623-E657 VanDerWaalsContact CE-O 3.26Å; M623-E657 WeakPolarHBondContact CE-O 3.14Å; M623-V658 HydrophobicContact CB-CG2 4.47Å; M623-V658 HydrophobicContact CE-CB 4.46Å; M623-V658 HydrophobicContact CE-CG2 4.02Å; M623-F661 HydrophobicContact CE-CB 3.76Å; M623-F661 HydrophobicContact CE-CG 4.33Å; M623-F661 HydrophobicContact SD-CB 3.94Å; M623-F661 HydrophobicContact SD-CD1 4.09Å; M623-F661 HydrophobicContact SD-CD2 4.27Å; M623-F661 HydrophobicContact SD-CG 3.84Å
624D95.1Very high94.1Very high103 Ų10361.7 Ų61.755%0.55132%0.315SS*.Hα-helixtrans-59-32.2179.2-95.5-32.2000114.2E622 M627 R628E622-D624 VanDerWaalsContact C-N 3.25Å; E622-D624 PolarHBondContact O-N 3.14Å; E622-D624 VanDerWaalsContact O-N 3.16Å; D624-M627 VanDerWaalsContact OD1-CE 3.24Å; D624-M627 WeakPolarHBondContact OD1-CE 3.3Å; D624-R628 WeakPolarHBondContact O-CB 3.49Å; D624-R628 VanDerWaalsContact O-CZ 3.24Å; D624-R628 PolarHBondContact O-N 3.03Å; D624-R628 PolarHBondContact O-NH1 3.44Å; D624-R628 PolarHBondContact O-NH2 3.22Å; D624-R628 VanDerWaalsContact O-NH2 3.08Å
625T94.4Very high93.8Very high13 Ų1364.8 Ų64.88%0.0833%0.332CS..Hα-helixtrans-84.1-35.8175.6-74.70000111.5L613 E622 M623 R628 A629L613-T625 HydrophobicContact CB-CG2 4.06Å; L613-T625 HydrophobicContact CD2-CG2 4.47Å; E622-T625 PolarHBondContact O-N 2.88Å; E622-T625 PolarHBondContact OE1-OG1 3.31Å; E622-T625 WeakPolarHBondContact OE2-CB 3.46Å; E622-T625 PolarHBondContact OE2-OG1 3.01Å; M623-T625 VanDerWaalsContact C-N 3.26Å; M623-T625 PolarHBondContact O-N 3.46Å; T625-R628 PolarHBondContact O-N 3.21Å; T625-R628 PolarHBondContact OG1-NH1 3.01Å; T625-A629 VanDerWaalsContact O-CB 3.23Å; T625-A629 WeakPolarHBondContact O-CB 3.33Å; T625-A629 PolarHBondContact O-N 3.5Å
626V95.6Very high93.4Very high0 Ų064.8 Ų64.80%033%0.333CS..Hα-helixtrans-60.5-50.8171.6174.70000111L614 G617 A618 E622 M623 R628 A629 V630 V658 F661 L662L614-V626 HydrophobicContact CD1-CG1 3.78Å; L614-V626 HydrophobicContact CD1-CG2 4.49Å; G617-V626 VanDerWaalsContact C-CG2 3.48Å; A618-V626 HydrophobicContact CB-CG2 4.11Å; E622-V626 PolarHBondContact O-N 3.41Å; M623-V626 PolarHBondContact O-N 2.98Å; M623-V626 VanDerWaalsContact O-N 3.14Å; V626-R628 PolarHBondContact O-N 2.86Å; V626-A629 PolarHBondContact O-N 3.48Å; V626-V630 HydrophobicContact CG1-CG2 4.28Å; V626-V630 WeakPolarHBondContact O-CG2 3.5Å; V626-V630 PolarHBondContact O-N 3.34Å; V626-V658 HydrophobicContact CB-CG1 4.43Å; V626-V658 HydrophobicContact CG1-CG1 4.1Å; V626-V658 HydrophobicContact CG2-CG1 3.98Å; V626-F661 HydrophobicContact CG1-CD1 3.9Å; V626-F661 HydrophobicContact CG1-CE1 3.95Å; V626-L662 HydrophobicContact CG1-CD2 3.92Å; V626-L662 HydrophobicContact CG1-CG 4.35Å
627M94.3Very high93.3Very high80 Ų8061.1 Ų61.139%0.39432%0.315SS..Hα-helixtrans-53.7-41.4175.7-69.3-163.5-72.100112.3M623 D624 K631 F661M623-M627 HydrophobicContact CG-CE 4.15Å; M623-M627 HydrophobicContact CG-CG 4.19Å; M623-M627 HydrophobicContact CG-SD 4.39Å; M623-M627 WeakPolarHBondContact O-CB 3.48Å; M623-M627 VanDerWaalsContact O-CG 3.3Å; M623-M627 WeakPolarHBondContact O-CG 3.42Å; M623-M627 PolarHBondContact O-N 3.49Å; M623-M627 HydrophobicContact SD-CG 3.86Å; M623-M627 HydrophobicContact SD-SD 4.49Å; D624-M627 VanDerWaalsContact OD1-CE 3.24Å; D624-M627 WeakPolarHBondContact OD1-CE 3.3Å; M627-K631 WeakPolarHBondContact O-CB 3.26Å; M627-K631 PolarHBondContact O-N 3.16Å; M627-F661 HydrophobicContact CB-CE1 4.4Å; M627-F661 HydrophobicContact CB-CZ 3.97Å; M627-F661 HydrophobicContact CG-CD2 4.37Å; M627-F661 HydrophobicContact CG-CE1 3.95Å; M627-F661 HydrophobicContact CG-CE2 3.73Å; M627-F661 HydrophobicContact CG-CZ 3.5Å; M627-F661 VanDerWaalsContact CG-CZ 3.5Å; M627-F661 HydrophobicContact SD-CE2 4.31Å
628R93.1Very high93.2Very high128 Ų12865 Ų6548%0.48333%0.332SS..Hα-helixtrans-73.7-40.4-179.1-165.4-177.5-51.9109.18.7112.5D624 T625 V626 K631 E632D624-R628 WeakPolarHBondContact O-CB 3.49Å; D624-R628 VanDerWaalsContact O-CZ 3.24Å; D624-R628 PolarHBondContact O-N 3.03Å; D624-R628 PolarHBondContact O-NH1 3.44Å; D624-R628 PolarHBondContact O-NH2 3.22Å; D624-R628 VanDerWaalsContact O-NH2 3.08Å; T625-R628 PolarHBondContact O-N 3.21Å; T625-R628 PolarHBondContact OG1-NH1 3.01Å; V626-R628 PolarHBondContact O-N 2.86Å; R628-K631 PolarHBondContact O-N 2.64Å; R628-E632 PolarHBondContact O-N 2.64Å
629A93.3Very high93Very high3 Ų367.9 Ų67.93%0.02535%0.351CS..Hα-helixtrans-65.9-45.1177.300000111.6P610 L613 L614 T625 V626 K631 E632 M633P610-A629 WeakPolarHBondContact O-CB 3.39Å; L613-A629 HydrophobicContact CB-CB 4.03Å; L614-A629 HydrophobicContact CB-CB 3.97Å; T625-A629 VanDerWaalsContact O-CB 3.23Å; T625-A629 WeakPolarHBondContact O-CB 3.33Å; T625-A629 PolarHBondContact O-N 3.5Å; V626-A629 PolarHBondContact O-N 3.48Å; A629-K631 VanDerWaalsContact C-N 3.27Å; A629-K631 PolarHBondContact O-N 3.06Å; A629-E632 PolarHBondContact O-N 3.44Å; A629-M633 PolarHBondContact O-N 3.28Å
630V93.1Very high93Very high6 Ų666.5 Ų66.54%0.03634%0.344CS..Hα-helixtrans-62.5-35176.5176.40000111.4L614 V626 E632 M633 P636 F661 L662 I665 L807L614-V630 HydrophobicContact CD1-CG2 4.05Å; V626-V630 HydrophobicContact CG1-CG2 4.28Å; V626-V630 WeakPolarHBondContact O-CG2 3.5Å; V626-V630 PolarHBondContact O-N 3.34Å; V630-E632 VanDerWaalsContact C-N 3.29Å; V630-E632 PolarHBondContact O-N 2.83Å; V630-M633 HydrophobicContact CB-SD 4.49Å; V630-M633 HydrophobicContact CG2-SD 4.2Å; V630-M633 PolarHBondContact O-N 2.89Å; V630-P636 HydrophobicContact CG1-CB 4.34Å; V630-P636 HydrophobicContact CG2-CB 4.48Å; V630-F661 HydrophobicContact CB-CE1 4.49Å; V630-F661 HydrophobicContact CG2-CE1 4.31Å; V630-L662 HydrophobicContact CG2-CD2 3.95Å; V630-I665 HydrophobicContact CG1-CD1 3.95Å; V630-I665 HydrophobicContact CG1-CG2 4.14Å; V630-L807 HydrophobicContact CG1-CD1 4.05Å
631K91.2Very high92.9Very high180 Ų18068.5 Ų68.578%0.78336%0.357SS*.Hα-helixtrans-70.3-19.5173.8-173161.8-175.4158.50114.4M627 R628 A629M627-K631 WeakPolarHBondContact O-CB 3.26Å; M627-K631 PolarHBondContact O-N 3.16Å; R628-K631 PolarHBondContact O-N 2.64Å; A629-K631 VanDerWaalsContact C-N 3.27Å; A629-K631 PolarHBondContact O-N 3.06Å
632E90.8Very high92.8Very high127 Ų12771.9 Ų71.959%0.59337%0.366SS*.Hα-helixtrans-97.1-3.1176.3-73.1-168.2-168.800113.6P610 R628 A629 V630P610-E632 HydrophobicContact CB-CB 3.93Å; P610-E632 HydrophobicContact CG-CB 4.44Å; R628-E632 PolarHBondContact O-N 2.64Å; A629-E632 PolarHBondContact O-N 3.44Å; V630-E632 VanDerWaalsContact C-N 3.29Å; V630-E632 PolarHBondContact O-N 2.83Å
633M88.2Confident92.7Very high31 Ų3167.6 Ų67.615%0.15335%0.35CS..  trans-114.4164.2-177.582.7-163.9-54.700113.4L611 L614 A629 V630 D635 Q638L611-M633 HydrophobicContact CD1-CE 4.18Å; L614-M633 HydrophobicContact CD2-CE 3.66Å; L614-M633 HydrophobicContact CD2-SD 3.64Å; A629-M633 PolarHBondContact O-N 3.28Å; V630-M633 HydrophobicContact CB-SD 4.49Å; V630-M633 HydrophobicContact CG2-SD 4.2Å; V630-M633 PolarHBondContact O-N 2.89Å; M633-D635 WeakPolarHBondContact CE-O 3.43Å; M633-Q638 HydrophobicContact CE-CB 4.37Å
634S85.2Confident92.7Very high124 Ų12467.6 Ų67.687%0.86735%0.351SS*.SBendtrans-95.5-22.5-178.955.30000115.1
635D88.2Confident92.8Very high65 Ų6563 Ų6335%0.34833%0.326SS..  trans-147114.8179.6170.425.5000109.9M633 S637 Q638M633-D635 WeakPolarHBondContact CE-O 3.43Å; D635-S637 PolarHBondContact O-N 2.85Å; D635-S637 WeakPolarHBondContact OD1-CA 3.48Å; D635-S637 WeakPolarHBondContact OD1-CB 3.44Å; D635-S637 PolarHBondContact OD1-N 3.3Å; D635-S637 PolarHBondContact OD1-OG 3.36Å; D635-Q638 PolarHBondContact O-N 3.39Å
636P89.5Confident92.9Very high19 Ų1962.3 Ų62.312%0.12332%0.322CS..THydrogen-bonded Turntrans-69.8-12177.432.3-37.6000113.5V630 Q638 I665 A667V630-P636 HydrophobicContact CG1-CB 4.34Å; V630-P636 HydrophobicContact CG2-CB 4.48Å; P636-Q638 VanDerWaalsContact C-N 3.3Å; P636-I665 HydrophobicContact CG-CG2 4.2Å; P636-A667 HydrophobicContact CB-CB 4.23Å; P636-A667 HydrophobicContact CG-CB 4.2Å
637S92.6Very high92.9Very high17 Ų1762.4 Ų62.412%0.11932%0.323CS..THydrogen-bonded Turntrans-83.4-3.7178.6-40.20000113.3D635 P639 T645 N668D635-S637 PolarHBondContact O-N 2.85Å; D635-S637 WeakPolarHBondContact OD1-CA 3.48Å; D635-S637 WeakPolarHBondContact OD1-CB 3.44Å; D635-S637 PolarHBondContact OD1-N 3.3Å; D635-S637 PolarHBondContact OD1-OG 3.36Å; S637-P639 WeakPolarHBondContact O-CD 3.49Å; S637-T645 VanDerWaalsContact O-CG2 3.25Å; S637-T645 WeakPolarHBondContact O-CG2 3.47Å; S637-N668 PolarHBondContact OG-N 3.46Å; S637-N668 VanDerWaalsContact OG-N 3.08Å
638Q93.6Very high93.1Very high84 Ų8458.9 Ų58.939%0.39331%0.305SS..  trans-60.5124.9-175.5-175.7175.225.100111.6L611 M633 D635 P636L611-Q638 HydrophobicContact CD1-CB 4.06Å; L611-Q638 HydrophobicContact CD1-CG 4.05Å; L611-Q638 WeakPolarHBondContact CD1-O 3.46Å; L611-Q638 HydrophobicContact CD2-CG 3.97Å; M633-Q638 HydrophobicContact CE-CB 4.37Å; D635-Q638 PolarHBondContact O-N 3.39Å; P636-Q638 VanDerWaalsContact C-N 3.3Å
639P94.8Very high93.3Very high60 Ų6054 Ų5439%0.3929%0.289SS..  trans-86.4167.7177.933.9-35.4000113.4S637 G643 I644 T645S637-P639 WeakPolarHBondContact O-CD 3.49Å; P639-G643 VanDerWaalsContact CB-C 3.47Å; P639-G643 WeakPolarHBondContact CB-O 3.24Å; P639-I644 CarbonylContact C-O 3.59Å; P639-I644 WeakPolarHBondContact CA-O 3.21Å; P639-T645 HydrophobicContact CB-CG2 3.98Å
640N95.1Very high93.5Very high52 Ų5253.9 Ų53.928%0.27829%0.288SS..  trans-79.2-176.916377.8-3.8000112.3L615 E642 G643 I644L615-N640 HydrophobicContact CD1-CB 3.89Å; N640-E642 PolarHBondContact O-N 2.92Å; N640-E642 VanDerWaalsContact O-N 3.08Å; N640-E642 WeakPolarHBondContact OD1-CA 3.47Å; N640-E642 WeakPolarHBondContact OD1-CB 3.34Å; N640-E642 PolarHBondContact OD1-N 2.92Å; N640-G643 PolarHBondContact O-N 3.42Å; N640-G643 PolarHBondContact OD1-N 2.97Å; N640-G643 VanDerWaalsContact OD1-N 3.1Å; N640-I644 PolarHBondContact N-O 3.39Å; N640-I644 WeakPolarHBondContact OD1-CB 3.46Å; N640-I644 PolarHBondContact OD1-N 2.83Å
641D94.6Very high93.7Very high175 Ų17554 Ų5494%0.93629%0.288SS*.THydrogen-bonded Turntrans-60.6-15.7178.2-72.6-24.6000114.3
642E94.6Very high93.9Very high96 Ų9648.9 Ų48.945%0.44927%0.274SS..THydrogen-bonded Turntrans-103.73.8179.9-58.9-177.6146.800112.7N640 I644 S674N640-E642 PolarHBondContact O-N 2.92Å; N640-E642 VanDerWaalsContact O-N 3.08Å; N640-E642 WeakPolarHBondContact OD1-CA 3.47Å; N640-E642 WeakPolarHBondContact OD1-CB 3.34Å; N640-E642 PolarHBondContact OD1-N 2.92Å; E642-I644 VanDerWaalsContact C-N 3.33Å; E642-I644 HydrophobicContact CB-CD1 4.26Å; E642-I644 HydrophobicContact CB-CG1 4.22Å; E642-S674 WeakPolarHBondContact O-CB 3.23Å; E642-S674 PolarHBondContact O-N 3.33Å; E642-S674 PolarHBondContact O-OG 2.92Å
643G93.9Very high94Very high15 Ų1544.2 Ų44.216%0.15526%0.26CS..SBendtrans86-3.6-178.400000114.9P639 N640P639-G643 VanDerWaalsContact CB-C 3.47Å; P639-G643 WeakPolarHBondContact CB-O 3.24Å; N640-G643 PolarHBondContact O-N 3.42Å; N640-G643 PolarHBondContact OD1-N 2.97Å; N640-G643 VanDerWaalsContact OD1-N 3.1Å
644I96.1Very high94.4Very high42 Ų4244.9 Ų44.922%0.21528%0.275CS..  trans-76.5125.3-175.7-51.3176000109.6P639 N640 E642 H648 N649P639-I644 CarbonylContact C-O 3.59Å; P639-I644 WeakPolarHBondContact CA-O 3.21Å; N640-I644 PolarHBondContact N-O 3.39Å; N640-I644 WeakPolarHBondContact OD1-CB 3.46Å; N640-I644 PolarHBondContact OD1-N 2.83Å; E642-I644 VanDerWaalsContact C-N 3.33Å; E642-I644 HydrophobicContact CB-CD1 4.26Å; E642-I644 HydrophobicContact CB-CG1 4.22Å; I644-H648 HydrophobicContact CG2-CB 3.7Å; I644-N649 WeakPolarHBondContact CG2-OD1 3.25Å
645T96.5Very high94.9Very high5 Ų541.7 Ų41.73%0.03125%0.247CC..  trans-100.3167.6178710000111.6S637 P639 L647 H648 N649 A671S637-T645 VanDerWaalsContact O-CG2 3.25Å; S637-T645 WeakPolarHBondContact O-CG2 3.47Å; P639-T645 HydrophobicContact CB-CG2 3.98Å; T645-L647 PolarHBondContact O-N 3.45Å; T645-L647 VanDerWaalsContact O-N 3.14Å; T645-L647 PolarHBondContact OG1-N 3.05Å; T645-H648 PolarHBondContact N-ND1 2.76Å; T645-H648 WeakPolarHBondContact O-CB 3.37Å; T645-H648 PolarHBondContact O-N 3.34Å; T645-H648 VanDerWaalsContact O-N 3.09Å; T645-H648 PolarHBondContact OG1-ND1 3.06Å; T645-N649 PolarHBondContact O-N 3.48Å; T645-A671 HydrophobicContact CG2-CB 4.01Å
646G95.9Very high95.3Very high0 Ų042.5 Ų42.50%025%0.248CC..Hα-helixtrans-56-30.6175.200000113.7A618 N649 A650A618-G646 WeakPolarHBondContact CB-O 3.15Å; G646-N649 PolarHBondContact O-N 3.13Å; G646-A650 PolarHBondContact O-N 2.73Å
647L96.9Very high95.6Very high2 Ų248.6 Ų48.61%0.0128%0.275CS..Hα-helixtrans-69.7-37.6177.9-175.858.1000112.6T645 A650 I651 T659 L662 V663 P679T645-L647 PolarHBondContact O-N 3.45Å; T645-L647 VanDerWaalsContact O-N 3.14Å; T645-L647 PolarHBondContact OG1-N 3.05Å; L647-A650 PolarHBondContact O-N 3.28Å; L647-I651 HydrophobicContact CD1-CD1 4.08Å; L647-I651 HydrophobicContact CG-CD1 4.09Å; L647-I651 WeakPolarHBondContact O-CD1 3.29Å; L647-I651 WeakPolarHBondContact O-CG1 3.38Å; L647-I651 PolarHBondContact O-N 3.43Å; L647-T659 HydrophobicContact CD1-CG2 3.69Å; L647-L662 HydrophobicContact CD1-CB 4.42Å; L647-V663 HydrophobicContact CD1-CG2 3.87Å; L647-V663 HydrophobicContact CD2-CG2 4.13Å; L647-P679 HydrophobicContact CD2-CB 4.12Å; L647-P679 HydrophobicContact CD2-CG 3.77Å; L647-P679 HydrophobicContact CG-CB 4.16Å; L647-P679 HydrophobicContact CG-CG 3.94Å
648H97.6Very high95.8Very high6 Ų647.9 Ų47.93%0.02827%0.27CS..Hα-helixtrans-61.9-46.8173-68.482.6000110.7I644 T645 A650 I651 C652 A671 W677I644-H648 HydrophobicContact CG2-CB 3.7Å; T645-H648 PolarHBondContact N-ND1 2.76Å; T645-H648 WeakPolarHBondContact O-CB 3.37Å; T645-H648 PolarHBondContact O-N 3.34Å; T645-H648 VanDerWaalsContact O-N 3.09Å; T645-H648 PolarHBondContact OG1-ND1 3.06Å; H648-A650 PolarHBondContact O-N 3.44Å; H648-I651 PolarHBondContact O-N 2.96Å; H648-C652 PolarHBondContact O-N 3.46Å; H648-A671 PolarHBondContact CE1-O 3.09Å; H648-A671 PolarHBondContact NE2-O 3.01Å; H648-W677 PolarHBondContact NE2-O 2.91Å
649N97.4Very high95.9Very high26 Ų2644 Ų4414%0.13925%0.251CS..Hα-helixtrans-62.5-41.4179.4-7910.8000112.6L615 A618 L619 I644 T645 G646 I651 G653L615-N649 PolarHBondContact O-ND2 3.3Å; A618-N649 HydrophobicContact CB-CB 4.24Å; L619-N649 HydrophobicContact CB-CB 3.99Å; L619-N649 HydrophobicContact CD1-CB 4.35Å; I644-N649 WeakPolarHBondContact CG2-OD1 3.25Å; T645-N649 PolarHBondContact O-N 3.48Å; G646-N649 PolarHBondContact O-N 3.13Å; N649-I651 VanDerWaalsContact C-N 3.34Å; N649-I651 PolarHBondContact O-N 3.48Å; N649-G653 PolarHBondContact O-N 2.92Å
650A97.5Very high96Very high0 Ų042.6 Ų42.60%024%0.241CC..Hα-helixtrans-61.3-41.9176.600000112.2A618 G646 L647 H648 G654 H655 V658 T659 L662A618-A650 HydrophobicContact CB-CB 4.33Å; A618-A650 WeakPolarHBondContact O-CA 3.35Å; G646-A650 PolarHBondContact O-N 2.73Å; L647-A650 PolarHBondContact O-N 3.28Å; H648-A650 PolarHBondContact O-N 3.44Å; A650-G654 PolarHBondContact O-N 3.05Å; A650-H655 PolarHBondContact O-N 3.23Å; A650-V658 HydrophobicContact CB-CB 4.14Å; A650-V658 HydrophobicContact CB-CG1 3.84Å; A650-T659 WeakPolarHBondContact CB-OG1 3.29Å; A650-L662 HydrophobicContact CB-CD1 4.37Å
651I97.3Very high96Very high8 Ų842.4 Ų42.44%0.04124%0.238CC..Hα-helixtrans-70.6-48.5179.2-67.1161.5000111.1L647 H648 N649 G653 G654 T659 P679 C682 A683 M691 L695L647-I651 HydrophobicContact CD1-CD1 4.08Å; L647-I651 HydrophobicContact CG-CD1 4.09Å; L647-I651 WeakPolarHBondContact O-CD1 3.29Å; L647-I651 WeakPolarHBondContact O-CG1 3.38Å; L647-I651 PolarHBondContact O-N 3.43Å; H648-I651 PolarHBondContact O-N 2.96Å; N649-I651 VanDerWaalsContact C-N 3.34Å; N649-I651 PolarHBondContact O-N 3.48Å; I651-G653 PolarHBondContact O-N 3.02Å; I651-G654 PolarHBondContact O-N 2.9Å; I651-T659 HydrophobicContact CD1-CG2 4.41Å; I651-T659 HydrophobicContact CG1-CG2 4.05Å; I651-P679 HydrophobicContact CD1-CB 3.55Å; I651-C682 HydrophobicContact CB-CB 4.49Å; I651-C682 HydrophobicContact CG2-CB 3.87Å; I651-A683 HydrophobicContact CG2-CB 3.86Å; I651-M691 HydrophobicContact CG1-CG 4.26Å; I651-M691 HydrophobicContact CG1-SD 4.26Å; I651-M691 HydrophobicContact CG2-CG 4.31Å; I651-L695 HydrophobicContact CD1-CD1 3.84Å; I651-L695 HydrophobicContact CD1-CD2 4.06Å
652C95.6Very high96Very high72 Ų7234 Ų3449%0.48619%0.193SC..Hα-helixtrans-66.2-19.1177.8-68.20000113.8H648H648-C652 PolarHBondContact O-N 3.46Å
653G93.8Very high96Very high30 Ų3029.5 Ų29.531%0.30917%0.172SC..THydrogen-bonded Turntrans-87.3-5.4169.100000114.8N649 I651 H655N649-G653 PolarHBondContact O-N 2.92Å; I651-G653 PolarHBondContact O-N 3.02Å; G653-H655 VanDerWaalsContact C-N 3.27Å; G653-H655 PolarHBondContact O-CE1 3.36Å; G653-H655 PolarHBondContact O-N 3.4Å; G653-H655 PolarHBondContact O-NE2 2.7Å
654G95Very high95.9Very high45 Ų4535.4 Ų35.446%0.46419%0.19SC..THydrogen-bonded Turntrans70.718.3-174.500000114.1A650 I651 H656A650-G654 PolarHBondContact O-N 3.05Å; I651-G654 PolarHBondContact O-N 2.9Å; G654-H656 VanDerWaalsContact C-N 3.35Å; G654-H656 PolarHBondContact O-N 3.24Å
655H97Very high95.7Very high57 Ų5734.1 Ų34.126%0.26418%0.183SC..  trans-87.569.8-171.5-62.2-49.5000112.2A618 L619 G621 A650 G653 E657 V658 T659A618-H655 PolarHBondContact O-CD2 3.09Å; A618-H655 VanDerWaalsContact O-CD2 3.31Å; L619-H655 PolarHBondContact O-NE2 3.03Å; G621-H655 PolarHBondContact N-CD2 2.81Å; G621-H655 VanDerWaalsContact N-CD2 3.26Å; G621-H655 PolarHBondContact N-NE2 3.14Å; A650-H655 PolarHBondContact O-N 3.23Å; G653-H655 VanDerWaalsContact C-N 3.27Å; G653-H655 PolarHBondContact O-CE1 3.36Å; G653-H655 PolarHBondContact O-N 3.4Å; G653-H655 PolarHBondContact O-NE2 2.7Å; H655-E657 VanDerWaalsContact C-N 3.32Å; H655-E657 PolarHBondContact O-N 3.46Å; H655-V658 HydrophobicContact CB-CB 4.09Å; H655-V658 HydrophobicContact CB-CG2 4.13Å; H655-V658 WeakPolarHBondContact O-CB 3.41Å; H655-V658 PolarHBondContact O-N 3.1Å; H655-T659 PolarHBondContact O-N 2.87Å; H655-T659 PolarHBondContact O-OG1 3.1Å
656H96.1Very high95.3Very high82 Ų8234.6 Ų34.638%0.3819%0.189SC..Hα-helixtrans-47.5-46.3-177.5-75.7-155.6000114G654 V658 T659 D660 D688 M691G654-H656 VanDerWaalsContact C-N 3.35Å; G654-H656 PolarHBondContact O-N 3.24Å; H656-V658 VanDerWaalsContact C-N 3.34Å; H656-V658 PolarHBondContact O-N 2.99Å; H656-T659 PolarHBondContact O-N 3.06Å; H656-D660 PolarHBondContact O-N 3.08Å; H656-D688 IonicContact CD2-OD2 2.83Å; H656-D688 IonicContact CE1-OD2 2.79Å; H656-D688 IonicContact NE2-OD1 2.76Å; H656-D688 IonicContact NE2-OD2 3.77Å; H656-D688 PolarHBondContact NE2-OD2 2.96Å; H656-M691 HydrophobicContact CB-CE 4.13Å; H656-M691 WeakPolarHBondContact CD2-CE 3.17Å
657E96.1Very high95.1Very high147 Ų14734.9 Ų34.969%0.68719%0.191SC*.Hα-helixtrans-58.7-43.9177.7-62.3-174.3172.200112.3M623 H655 D660 F661M623-E657 VanDerWaalsContact CE-C 3.42Å; M623-E657 HydrophobicContact CE-CB 3.81Å; M623-E657 VanDerWaalsContact CE-O 3.26Å; M623-E657 WeakPolarHBondContact CE-O 3.14Å; H655-E657 VanDerWaalsContact C-N 3.32Å; H655-E657 PolarHBondContact O-N 3.46Å; E657-D660 PolarHBondContact O-N 3.39Å; E657-F661 WeakPolarHBondContact O-CB 3.28Å; E657-F661 PolarHBondContact O-N 2.93Å
658V96.7Very high94.9Very high2 Ų236 Ų361%0.01220%0.197CC..Hα-helixtrans-68.9-40.9-179.4179.10000110.5A618 M623 V626 A650 H655 H656 F661 L662A618-V658 HydrophobicContact CB-CG1 4.07Å; M623-V658 HydrophobicContact CB-CG2 4.47Å; M623-V658 HydrophobicContact CE-CB 4.46Å; M623-V658 HydrophobicContact CE-CG2 4.02Å; V626-V658 HydrophobicContact CB-CG1 4.43Å; V626-V658 HydrophobicContact CG1-CG1 4.1Å; V626-V658 HydrophobicContact CG2-CG1 3.98Å; A650-V658 HydrophobicContact CB-CB 4.14Å; A650-V658 HydrophobicContact CB-CG1 3.84Å; H655-V658 HydrophobicContact CB-CB 4.09Å; H655-V658 HydrophobicContact CB-CG2 4.13Å; H655-V658 WeakPolarHBondContact O-CB 3.41Å; H655-V658 PolarHBondContact O-N 3.1Å; H656-V658 VanDerWaalsContact C-N 3.34Å; H656-V658 PolarHBondContact O-N 2.99Å; V658-F661 PolarHBondContact O-N 3.4Å; V658-L662 HydrophobicContact CG1-CD1 4.04Å; V658-L662 HydrophobicContact CG1-CG 4.41Å; V658-L662 WeakPolarHBondContact O-CB 3.46Å; V658-L662 VanDerWaalsContact O-CG 3.3Å; V658-L662 WeakPolarHBondContact O-CG 3.4Å; V658-L662 PolarHBondContact O-N 3.35Å
659T96.6Very high94.8Very high1 Ų135.9 Ų35.91%0.00620%0.197CC..Hα-helixtrans-57.4-49.4172.7-65.60000111.1L647 A650 I651 H655 H656 F661 L662 V663 M691 Y694 L695L647-T659 HydrophobicContact CD1-CG2 3.69Å; A650-T659 WeakPolarHBondContact CB-OG1 3.29Å; I651-T659 HydrophobicContact CD1-CG2 4.41Å; I651-T659 HydrophobicContact CG1-CG2 4.05Å; H655-T659 PolarHBondContact O-N 2.87Å; H655-T659 PolarHBondContact O-OG1 3.1Å; H656-T659 PolarHBondContact O-N 3.06Å; T659-F661 PolarHBondContact O-N 2.97Å; T659-L662 PolarHBondContact O-N 2.9Å; T659-V663 HydrophobicContact CG2-CG2 4.42Å; T659-V663 WeakPolarHBondContact O-CB 3.41Å; T659-V663 WeakPolarHBondContact O-CG2 3.5Å; T659-V663 PolarHBondContact O-N 2.79Å; T659-M691 HydrophobicContact CG2-CE 3.89Å; T659-M691 HydrophobicContact CG2-SD 3.4Å; T659-M691 WeakPolarHBondContact CG2-SD 3.36Å; T659-Y694 HydrophobicContact CG2-CE1 4.41Å; T659-L695 HydrophobicContact CG2-CD2 4.5Å
660D95.6Very high94.6Very high32 Ų3234.6 Ų34.617%0.17119%0.19CC..Hα-helixtrans-64.3-39.5179.4169.480.9000112.7H656 E657 R664 Y694H656-D660 PolarHBondContact O-N 3.08Å; E657-D660 PolarHBondContact O-N 3.39Å; D660-R664 VanDerWaalsContact O-CB 3.29Å; D660-R664 WeakPolarHBondContact O-CB 3.46Å; D660-R664 WeakPolarHBondContact O-CG 3.5Å; D660-R664 PolarHBondContact O-N 3.05Å; D660-R664 IonicContact OD1-CZ 3.11Å; D660-R664 IonicContact OD1-NE 2.77Å; D660-R664 PolarHBondContact OD1-NE 2.93Å; D660-R664 IonicContact OD1-NH2 2.82Å; D660-R664 PolarHBondContact OD1-NH2 3.06Å; D660-R664 WeakPolarHBondContact OD2-CD 3.26Å; D660-R664 IonicContact OD2-CZ 2.79Å; D660-R664 IonicContact OD2-NE 2.89Å; D660-R664 PolarHBondContact OD2-NE 2.8Å; D660-R664 IonicContact OD2-NH1 3.32Å; D660-R664 PolarHBondContact OD2-NH1 2.91Å; D660-R664 IonicContact OD2-NH2 2.93Å; D660-R664 PolarHBondContact OD2-NH2 2.81Å; D660-Y694 VanDerWaalsContact CA-OH 3.29Å; D660-Y694 WeakPolarHBondContact CA-OH 3.49Å; D660-Y694 HydrophobicContact CB-CE2 4.4Å; D660-Y694 PolarHBondContact OD1-OH 2.93Å
661F95.4Very high94.4Very high47 Ų4734.7 Ų34.721%0.20619%0.191CC..Hα-helixtrans-59.4-48.7172.3175.9-102.4000112.3M623 V626 M627 V630 E657 V658 T659 R664 I665M623-F661 HydrophobicContact CE-CB 3.76Å; M623-F661 HydrophobicContact CE-CG 4.33Å; M623-F661 HydrophobicContact SD-CB 3.94Å; M623-F661 HydrophobicContact SD-CD1 4.09Å; M623-F661 HydrophobicContact SD-CD2 4.27Å; M623-F661 HydrophobicContact SD-CG 3.84Å; V626-F661 HydrophobicContact CG1-CD1 3.9Å; V626-F661 HydrophobicContact CG1-CE1 3.95Å; M627-F661 HydrophobicContact CB-CE1 4.4Å; M627-F661 HydrophobicContact CB-CZ 3.97Å; M627-F661 HydrophobicContact CG-CD2 4.37Å; M627-F661 HydrophobicContact CG-CE1 3.95Å; M627-F661 HydrophobicContact CG-CE2 3.73Å; M627-F661 HydrophobicContact CG-CZ 3.5Å; M627-F661 VanDerWaalsContact CG-CZ 3.5Å; M627-F661 HydrophobicContact SD-CE2 4.31Å; V630-F661 HydrophobicContact CB-CE1 4.49Å; V630-F661 HydrophobicContact CG2-CE1 4.31Å; E657-F661 WeakPolarHBondContact O-CB 3.28Å; E657-F661 PolarHBondContact O-N 2.93Å; V658-F661 PolarHBondContact O-N 3.4Å; T659-F661 PolarHBondContact O-N 2.97Å; F661-R664 PolarHBondContact O-N 3.3Å; F661-I665 HydrophobicContact CD1-CD1 3.74Å; F661-I665 HydrophobicContact CD2-CD1 4.04Å; F661-I665 HydrophobicContact CE1-CD1 3.3Å; F661-I665 HydrophobicContact CE2-CD1 3.64Å; F661-I665 HydrophobicContact CG-CD1 4.09Å; F661-I665 HydrophobicContact CZ-CD1 3.24Å; F661-I665 WeakPolarHBondContact O-CD1 3.48Å; F661-I665 VanDerWaalsContact O-CG1 3.29Å; F661-I665 WeakPolarHBondContact O-CG1 3.34Å; F661-I665 PolarHBondContact O-N 3.2Å
662L94.6Very high94.2Very high0 Ų035.7 Ų35.70%020%0.198CC..Hα-helixtrans-64.8-42.9-179.4-69.7173.9000112.2L614 V626 V630 L647 A650 V658 T659 I665 G666 A667L614-L662 HydrophobicContact CD1-CD1 4.43Å; L614-L662 HydrophobicContact CD1-CD2 3.82Å; V626-L662 HydrophobicContact CG1-CD2 3.92Å; V626-L662 HydrophobicContact CG1-CG 4.35Å; V630-L662 HydrophobicContact CG2-CD2 3.95Å; L647-L662 HydrophobicContact CD1-CB 4.42Å; A650-L662 HydrophobicContact CB-CD1 4.37Å; V658-L662 HydrophobicContact CG1-CD1 4.04Å; V658-L662 HydrophobicContact CG1-CG 4.41Å; V658-L662 WeakPolarHBondContact O-CB 3.46Å; V658-L662 VanDerWaalsContact O-CG 3.3Å; V658-L662 WeakPolarHBondContact O-CG 3.4Å; V658-L662 PolarHBondContact O-N 3.35Å; T659-L662 PolarHBondContact O-N 2.9Å; L662-I665 PolarHBondContact O-N 2.62Å; L662-G666 PolarHBondContact O-N 3.16Å; L662-A667 HydrophobicContact CB-CB 4.12Å; L662-A667 VanDerWaalsContact O-CB 3.26Å; L662-A667 WeakPolarHBondContact O-CB 3.43Å; L662-A667 PolarHBondContact O-N 3Å
663V94.5Very high94.1Very high1 Ų133.2 Ų33.21%0.00618%0.18CC..Hα-helixtrans-65.1-40.6177.1171.60000111.2L647 T659 I665 G666 V669 Y694 N698 V802L647-V663 HydrophobicContact CD1-CG2 3.87Å; L647-V663 HydrophobicContact CD2-CG2 4.13Å; T659-V663 HydrophobicContact CG2-CG2 4.42Å; T659-V663 WeakPolarHBondContact O-CB 3.41Å; T659-V663 WeakPolarHBondContact O-CG2 3.5Å; T659-V663 PolarHBondContact O-N 2.79Å; V663-I665 PolarHBondContact O-N 3.39Å; V663-G666 PolarHBondContact O-N 2.85Å; V663-V669 HydrophobicContact CG1-CG2 4.19Å; V663-V669 HydrophobicContact CG2-CG2 4.21Å; V663-Y694 HydrophobicContact CB-CE1 4.05Å; V663-Y694 HydrophobicContact CG1-CE1 4.01Å; V663-Y694 HydrophobicContact CG2-CE1 4.1Å; V663-N698 HydrophobicContact CG1-CB 3.62Å; V663-V802 HydrophobicContact CG1-CG2 3.95Å; V663-V802 WeakPolarHBondContact O-CG1 3.37Å
664R92.4Very high94.1Very high139 Ų13934.7 Ų34.753%0.52519%0.185SC..Hα-helixtrans-63.1-22.9176.3-76.3173.2-175.3-174.712.8114.7D660 F661 G666D660-R664 VanDerWaalsContact O-CB 3.29Å; D660-R664 WeakPolarHBondContact O-CB 3.46Å; D660-R664 WeakPolarHBondContact O-CG 3.5Å; D660-R664 PolarHBondContact O-N 3.05Å; D660-R664 IonicContact OD1-CZ 3.11Å; D660-R664 IonicContact OD1-NE 2.77Å; D660-R664 PolarHBondContact OD1-NE 2.93Å; D660-R664 IonicContact OD1-NH2 2.82Å; D660-R664 PolarHBondContact OD1-NH2 3.06Å; D660-R664 WeakPolarHBondContact OD2-CD 3.26Å; D660-R664 IonicContact OD2-CZ 2.79Å; D660-R664 IonicContact OD2-NE 2.89Å; D660-R664 PolarHBondContact OD2-NE 2.8Å; D660-R664 IonicContact OD2-NH1 3.32Å; D660-R664 PolarHBondContact OD2-NH1 2.91Å; D660-R664 IonicContact OD2-NH2 2.93Å; D660-R664 PolarHBondContact OD2-NH2 2.81Å; F661-R664 PolarHBondContact O-N 3.3Å; R664-G666 VanDerWaalsContact C-N 3.34Å
665I90.4Very high94Very high15 Ų1535.4 Ų35.48%0.07718%0.176CC..THydrogen-bonded Turntrans-87.7-9.3175.4-60.2161.3000111.1V630 P636 F661 L662 V663 P804 L807V630-I665 HydrophobicContact CG1-CD1 3.95Å; V630-I665 HydrophobicContact CG1-CG2 4.14Å; P636-I665 HydrophobicContact CG-CG2 4.2Å; F661-I665 HydrophobicContact CD1-CD1 3.74Å; F661-I665 HydrophobicContact CD2-CD1 4.04Å; F661-I665 HydrophobicContact CE1-CD1 3.3Å; F661-I665 HydrophobicContact CE2-CD1 3.64Å; F661-I665 HydrophobicContact CG-CD1 4.09Å; F661-I665 HydrophobicContact CZ-CD1 3.24Å; F661-I665 WeakPolarHBondContact O-CD1 3.48Å; F661-I665 VanDerWaalsContact O-CG1 3.29Å; F661-I665 WeakPolarHBondContact O-CG1 3.34Å; F661-I665 PolarHBondContact O-N 3.2Å; L662-I665 PolarHBondContact O-N 2.62Å; V663-I665 PolarHBondContact O-N 3.39Å; I665-P804 WeakPolarHBondContact O-CA 3.48Å; I665-P804 WeakPolarHBondContact O-CB 3.24Å; I665-L807 HydrophobicContact CG1-CD2 4.47Å; I665-L807 HydrophobicContact CG2-CD1 4.3Å; I665-L807 HydrophobicContact CG2-CG 4.49Å
666G88.9Confident93.8Very high15 Ų1532.8 Ų32.816%0.15517%0.165CC..THydrogen-bonded Turntrans85.431.5-178.200000113.8L662 V663 R664L662-G666 PolarHBondContact O-N 3.16Å; V663-G666 PolarHBondContact O-N 2.85Å; R664-G666 VanDerWaalsContact C-N 3.34Å
667A92.7Very high93.7Very high5 Ų532.3 Ų32.34%0.04116%0.16CC..  trans-59.9136.7162.900000109.8P636 L662 V669P636-A667 HydrophobicContact CB-CB 4.23Å; P636-A667 HydrophobicContact CG-CB 4.2Å; L662-A667 HydrophobicContact CB-CB 4.12Å; L662-A667 VanDerWaalsContact O-CB 3.26Å; L662-A667 WeakPolarHBondContact O-CB 3.43Å; L662-A667 PolarHBondContact O-N 3Å; A667-V669 PolarHBondContact O-N 3.11Å
668N91.9Very high93.7Very high25 Ų2525.4 Ų25.413%0.13413%0.127CC..  trans-66.1104.4-173.9-179.919.3000112.7S637 S670 A671S637-N668 PolarHBondContact OG-N 3.46Å; S637-N668 VanDerWaalsContact OG-N 3.08Å; N668-S670 PolarHBondContact O-N 3.22Å; N668-S670 VanDerWaalsContact O-N 3.14Å; N668-S670 PolarHBondContact OD1-N 2.82Å; N668-A671 HydrophobicContact CB-CB 4.2Å; N668-A671 WeakPolarHBondContact ND2-CA 3.22Å; N668-A671 PolarHBondContact ND2-N 3.36Å; N668-A671 WeakPolarHBondContact O-CB 3.46Å; N668-A671 PolarHBondContact O-N 2.83Å; N668-A671 VanDerWaalsContact O-N 3.15Å
669V94.5Very high93.8Very high4 Ų425.3 Ų25.32%0.02413%0.127CC..THydrogen-bonded Turntrans-57.7-23.8176.8-164.30000113V663 A667 P679 L695 N698 A700V663-V669 HydrophobicContact CG1-CG2 4.19Å; V663-V669 HydrophobicContact CG2-CG2 4.21Å; A667-V669 PolarHBondContact O-N 3.11Å; V669-P679 WeakPolarHBondContact O-CB 3.4Å; V669-P679 WeakPolarHBondContact O-CD 3.25Å; V669-P679 VanDerWaalsContact O-CG 3.29Å; V669-P679 WeakPolarHBondContact O-CG 3.44Å; V669-L695 HydrophobicContact CG1-CB 4.21Å; V669-L695 HydrophobicContact CG1-CD2 3.67Å; V669-N698 HydrophobicContact CG2-CB 4.39Å; V669-A700 HydrophobicContact CG1-CB 3.93Å
670S93.6Very high93.8Very high0 Ų025.3 Ų25.30%013%0.127CC..THydrogen-bonded Turntrans-115.936.2179.2-580000112.5N668 P672 G699 A700 A701N668-S670 PolarHBondContact O-N 3.22Å; N668-S670 VanDerWaalsContact O-N 3.14Å; N668-S670 PolarHBondContact OD1-N 2.82Å; S670-P672 WeakPolarHBondContact O-CD 3.42Å; S670-G699 PolarHBondContact OG-O 3.43Å; S670-A700 WeakPolarHBondContact OG-CA 3.45Å; S670-A701 PolarHBondContact OG-N 3.31Å
671A92.9Very high93.9Very high2 Ų223.8 Ų23.82%0.01712%0.119CC..  trans-74.5125.817100000110.5I363 T645 H648 N668 P679I363-A671 HydrophobicContact CD1-CB 4.4Å; T645-A671 HydrophobicContact CG2-CB 4.01Å; H648-A671 PolarHBondContact CE1-O 3.09Å; H648-A671 PolarHBondContact NE2-O 3.01Å; N668-A671 HydrophobicContact CB-CB 4.2Å; N668-A671 WeakPolarHBondContact ND2-CA 3.22Å; N668-A671 PolarHBondContact ND2-N 3.36Å; N668-A671 WeakPolarHBondContact O-CB 3.46Å; N668-A671 PolarHBondContact O-N 2.83Å; N668-A671 VanDerWaalsContact O-N 3.15Å; A671-P679 VanDerWaalsContact O-CD 3.29Å; A671-P679 WeakPolarHBondContact O-CD 3.45Å
672P93.6Very high93.9Very high29 Ų2922 Ų2219%0.18811%0.112CC..  trans-88.6141.2174.633.2-32.5000112.6S670 W677 T678S670-P672 WeakPolarHBondContact O-CD 3.42Å; P672-W677 CarbonylContact C-O 3.53Å; P672-W677 VanDerWaalsContact CA-O 3.27Å; P672-W677 WeakPolarHBondContact CA-O 3.33Å; P672-T678 HydrophobicContact CB-CG2 4.48Å
673D94.4Very high94.1Very high20 Ų2022 Ų2211%0.10711%0.112CC..  trans-75.2-178.3168.797.5-46.8000112.2H675 G676 W677D673-H675 PolarHBondContact O-N 2.78Å; D673-H675 WeakPolarHBondContact OD1-CA 3.37Å; D673-H675 VanDerWaalsContact OD1-CB 3.32Å; D673-H675 WeakPolarHBondContact OD1-CB 3.34Å; D673-H675 PolarHBondContact OD1-N 2.88Å; D673-H675 IonicContact OD2-CE1 3.94Å; D673-H675 IonicContact OD2-CG 2.94Å; D673-H675 PolarHBondContact OD2-N 3.28Å; D673-H675 IonicContact OD2-ND1 2.8Å; D673-H675 PolarHBondContact OD2-ND1 3.26Å; D673-G676 PolarHBondContact O-N 3.19Å; D673-G676 PolarHBondContact OD1-N 2.54Å; D673-W677 PolarHBondContact N-O 3.41Å; D673-W677 WeakPolarHBondContact OD1-CB 3.36Å; D673-W677 PolarHBondContact OD1-N 3.27Å
674S93.4Very high94.2Very high60 Ų6021.9 Ų21.942%0.4211%0.111SC..THydrogen-bonded Turntrans-61-11.9175.4600000115.3E642E642-S674 WeakPolarHBondContact O-CB 3.23Å; E642-S674 PolarHBondContact O-N 3.33Å; E642-S674 PolarHBondContact O-OG 2.92Å
675H92.3Very high94.4Very high60 Ų6017 Ų1728%0.27810%0.098SC..THydrogen-bonded Turntrans-110.72.2176.8-49.3108.5000113.6D673 W677 H707 R708D673-H675 PolarHBondContact O-N 2.78Å; D673-H675 WeakPolarHBondContact OD1-CA 3.37Å; D673-H675 VanDerWaalsContact OD1-CB 3.32Å; D673-H675 WeakPolarHBondContact OD1-CB 3.34Å; D673-H675 PolarHBondContact OD1-N 2.88Å; D673-H675 IonicContact OD2-CE1 3.94Å; D673-H675 IonicContact OD2-CG 2.94Å; D673-H675 PolarHBondContact OD2-N 3.28Å; D673-H675 IonicContact OD2-ND1 2.8Å; D673-H675 PolarHBondContact OD2-ND1 3.26Å; H675-W677 VanDerWaalsContact C-N 3.31Å; H675-H707 WeakPolarHBondContact O-CB 3.4Å; H675-H707 PolarHBondContact O-N 2.88Å; H675-R708 PolarHBondContact CD2-NE 3.41Å; H675-R708 PolarHBondContact CD2-NH2 3.23Å; H675-R708 PolarHBondContact NE2-NH2 3.31Å
676G92.5Very high94.6Very high3 Ų319.1 Ų19.13%0.03111%0.114CC..SBendtrans79.28.2-176.800000114.6D673 H707D673-G676 PolarHBondContact O-N 3.19Å; D673-G676 PolarHBondContact OD1-N 2.54Å; G676-H707 VanDerWaalsContact CA-ND1 3.35Å; G676-H707 WeakPolarHBondContact CA-ND1 3.27Å; G676-H707 PolarHBondContact N-ND1 2.89Å
677W95.4Very high95Very high72 Ų7218.8 Ų18.827%0.27311%0.108SC..  trans-68.1140.3168.8-73.456.6000109H648 P672 D673 H675 H681 T706 K716H648-W677 PolarHBondContact NE2-O 2.91Å; P672-W677 CarbonylContact C-O 3.53Å; P672-W677 VanDerWaalsContact CA-O 3.27Å; P672-W677 WeakPolarHBondContact CA-O 3.33Å; D673-W677 PolarHBondContact N-O 3.41Å; D673-W677 WeakPolarHBondContact OD1-CB 3.36Å; D673-W677 PolarHBondContact OD1-N 3.27Å; H675-W677 VanDerWaalsContact C-N 3.31Å; W677-H681 HydrophobicContact CB-CB 4.32Å; W677-H681 HydrophobicContact CD2-CB 4.17Å; W677-H681 HydrophobicContact CE3-CB 3.76Å; W677-H681 HydrophobicContact CG-CB 4.44Å; W677-H681 HydrophobicContact CZ3-CB 4.4Å; W677-T706 HydrophobicContact CD2-CG2 4.42Å; W677-T706 HydrophobicContact CG-CG2 4.01Å; W677-K716 HydrophobicContact CH2-CD 4.04Å; W677-K716 HydrophobicContact CH2-CG 4.26Å; W677-K716 HydrophobicContact CZ2-CD 3.95Å; W677-K716 HydrophobicContact CZ2-CG 4.47Å
678T96Very high95.1Very high1 Ų120.3 Ų20.31%0.00612%0.116CC..  trans-116.3167.5174.865.70000109.2M360 P672 L680 H681 C682 A704M360-T678 HydrophobicContact SD-CG2 4.38Å; P672-T678 HydrophobicContact CB-CG2 4.48Å; T678-L680 PolarHBondContact O-N 3.28Å; T678-H681 PolarHBondContact N-ND1 2.94Å; T678-H681 VanDerWaalsContact N-ND1 3.19Å; T678-H681 WeakPolarHBondContact O-CB 3.27Å; T678-H681 PolarHBondContact O-N 2.83Å; T678-H681 PolarHBondContact OG1-ND1 3.48Å; T678-C682 PolarHBondContact O-N 3.41Å; T678-C682 VanDerWaalsContact O-N 3.09Å; T678-A704 HydrophobicContact CG2-CB 4.08Å
679P97.2Very high95.3Very high0 Ų022.1 Ų22.10%012%0.121CC..Hα-helixtrans-44.3-36.7170-36.340.6000114.6L647 I651 V669 A671 C682 A683 L695L647-P679 HydrophobicContact CD2-CB 4.12Å; L647-P679 HydrophobicContact CD2-CG 3.77Å; L647-P679 HydrophobicContact CG-CB 4.16Å; L647-P679 HydrophobicContact CG-CG 3.94Å; I651-P679 HydrophobicContact CD1-CB 3.55Å; V669-P679 WeakPolarHBondContact O-CB 3.4Å; V669-P679 WeakPolarHBondContact O-CD 3.25Å; V669-P679 VanDerWaalsContact O-CG 3.29Å; V669-P679 WeakPolarHBondContact O-CG 3.44Å; A671-P679 VanDerWaalsContact O-CD 3.29Å; A671-P679 WeakPolarHBondContact O-CD 3.45Å; P679-C682 PolarHBondContact O-N 3.29Å; P679-A683 PolarHBondContact O-N 3.19Å; P679-L695 HydrophobicContact CB-CD1 4.41Å; P679-L695 HydrophobicContact CB-CD2 4.26Å
680L97.5Very high95.4Very high1 Ų127.7 Ų27.71%0.00515%0.147CC..Hα-helixtrans-69.8-38.7177.1-168.866.9000113T678 C682 A683 A684 C692 L695 V696 A700 A713 L731T678-L680 PolarHBondContact O-N 3.28Å; L680-C682 VanDerWaalsContact C-N 3.32Å; L680-A683 PolarHBondContact O-N 2.9Å; L680-A684 WeakPolarHBondContact O-CB 3.38Å; L680-A684 PolarHBondContact O-N 3.45Å; L680-C692 HydrophobicContact CD1-CB 4.09Å; L680-L695 HydrophobicContact CD1-CB 4.04Å; L680-L695 HydrophobicContact CD1-CD1 4.37Å; L680-V696 HydrophobicContact CD1-CG2 4.04Å; L680-V696 HydrophobicContact CD2-CG2 4.34Å; L680-A700 HydrophobicContact CB-CB 4.29Å; L680-A700 HydrophobicContact CD1-CB 4.44Å; L680-A700 HydrophobicContact CD2-CB 4.14Å; L680-A713 HydrophobicContact CB-CB 4.44Å; L680-A713 HydrophobicContact CD2-CB 3.87Å; L680-A713 HydrophobicContact CG-CB 3.78Å; L680-L731 HydrophobicContact CD1-CD2 4.08Å; L680-L731 HydrophobicContact CD2-CD2 4.33Å; L680-L731 HydrophobicContact CG-CD2 4.33Å
681H97.2Very high95.6Very high0 Ų028 Ų280%015%0.148CC..Hα-helixtrans-65.1-36.8173.4-65.892.7000111.7W677 T678 S685 A704 A711 A713 K716W677-H681 HydrophobicContact CB-CB 4.32Å; W677-H681 HydrophobicContact CD2-CB 4.17Å; W677-H681 HydrophobicContact CE3-CB 3.76Å; W677-H681 HydrophobicContact CG-CB 4.44Å; W677-H681 HydrophobicContact CZ3-CB 4.4Å; T678-H681 PolarHBondContact N-ND1 2.94Å; T678-H681 VanDerWaalsContact N-ND1 3.19Å; T678-H681 WeakPolarHBondContact O-CB 3.27Å; T678-H681 PolarHBondContact O-N 2.83Å; T678-H681 PolarHBondContact OG1-ND1 3.48Å; H681-S685 WeakPolarHBondContact O-CB 3.3Å; H681-S685 PolarHBondContact O-N 3.47Å; H681-S685 PolarHBondContact O-OG 3.49Å; H681-A704 PolarHBondContact NE2-O 3.11Å; H681-A711 PolarHBondContact NE2-O 2.99Å; H681-A713 PolarHBondContact NE2-N 3.04Å; H681-K716 HydrophobicContact CB-CG 4.38Å
682C96.8Very high95.8Very high9 Ų927.9 Ų27.96%0.06115%0.148CC..Hα-helixtrans-63.3-49.1174.1-67.50000111.5I651 T678 P679 L680 A684 S685 C686I651-C682 HydrophobicContact CB-CB 4.49Å; I651-C682 HydrophobicContact CG2-CB 3.87Å; T678-C682 PolarHBondContact O-N 3.41Å; T678-C682 VanDerWaalsContact O-N 3.09Å; P679-C682 PolarHBondContact O-N 3.29Å; L680-C682 VanDerWaalsContact C-N 3.32Å; C682-A684 VanDerWaalsContact C-N 3.34Å; C682-A684 PolarHBondContact O-N 3.09Å; C682-S685 PolarHBondContact O-N 3.35Å; C682-S685 PolarHBondContact O-OG 3.35Å; C682-C686 PolarHBondContact O-N 2.99Å
683A97.2Very high96Very high0 Ų028.5 Ų28.50%015%0.148CC..Hα-helixtrans-60.9-42.7177.900000112I651 P679 L680 S685 C686 N687 D688 M691 C692 L695I651-A683 HydrophobicContact CG2-CB 3.86Å; P679-A683 PolarHBondContact O-N 3.19Å; L680-A683 PolarHBondContact O-N 2.9Å; A683-S685 PolarHBondContact O-N 3.49Å; A683-C686 PolarHBondContact O-N 3.39Å; A683-C686 VanDerWaalsContact O-N 3.13Å; A683-N687 PolarHBondContact O-N 3.21Å; A683-D688 PolarHBondContact O-N 3.03Å; A683-D688 VanDerWaalsContact O-N 3.1Å; A683-M691 HydrophobicContact CB-CB 4.12Å; A683-M691 HydrophobicContact CB-CG 3.76Å; A683-C692 VanDerWaalsContact CB-SG 3.55Å; A683-L695 HydrophobicContact CB-CD1 3.73Å
684A97.3Very high96.1Very high0 Ų030.1 Ų30.10%015%0.153CC..Hα-helixtrans-60.1-43.8174.900000112.1L680 C682 C686 N687 A713 K716 C717 L731L680-A684 WeakPolarHBondContact O-CB 3.38Å; L680-A684 PolarHBondContact O-N 3.45Å; C682-A684 VanDerWaalsContact C-N 3.34Å; C682-A684 PolarHBondContact O-N 3.09Å; A684-C686 PolarHBondContact O-N 3.1Å; A684-C686 VanDerWaalsContact O-N 3.11Å; A684-N687 WeakPolarHBondContact O-CA 3.29Å; A684-N687 PolarHBondContact O-N 2.93Å; A684-N687 PolarHBondContact O-OD1 3.13Å; A684-A713 HydrophobicContact CB-CB 4.4Å; A684-A713 WeakPolarHBondContact CB-O 3.29Å; A684-K716 HydrophobicContact CB-CB 4.27Å; A684-C717 WeakPolarHBondContact O-CA 3.37Å; A684-L731 HydrophobicContact CB-CD1 3.6Å
685S96.4Very high96.2Very high35 Ų3527.3 Ų27.325%0.24513%0.133CC..Hα-helixtrans-66.5-10.8176.8690000115.3H681 C682 A683 K716H681-S685 WeakPolarHBondContact O-CB 3.3Å; H681-S685 PolarHBondContact O-N 3.47Å; H681-S685 PolarHBondContact O-OG 3.49Å; C682-S685 PolarHBondContact O-N 3.35Å; C682-S685 PolarHBondContact O-OG 3.35Å; A683-S685 PolarHBondContact O-N 3.49Å; S685-K716 VanDerWaalsContact CA-O 3.26Å; S685-K716 WeakPolarHBondContact CA-O 3.21Å
686C95.2Very high96.4Very high60 Ų6024.4 Ų24.441%0.40512%0.12SC..THydrogen-bonded Turntrans-100.33.2169.9-60.50000112.6C682 A683 A684 D688C682-C686 PolarHBondContact O-N 2.99Å; A683-C686 PolarHBondContact O-N 3.39Å; A683-C686 VanDerWaalsContact O-N 3.13Å; A684-C686 PolarHBondContact O-N 3.1Å; A684-C686 VanDerWaalsContact O-N 3.11Å; C686-D688 HydrophobicContact CB-CB 4.42Å; C686-D688 PolarHBondContact O-N 3.45Å
687N96.6Very high96.5Very high8 Ų831 Ų314%0.04314%0.143CC..THydrogen-bonded Turntrans52.324.8-169.6-64.9-12.6000114.2A683 A684 R689 C717 D718 L721 F722 F724 C727A683-N687 PolarHBondContact O-N 3.21Å; A684-N687 WeakPolarHBondContact O-CA 3.29Å; A684-N687 PolarHBondContact O-N 2.93Å; A684-N687 PolarHBondContact O-OD1 3.13Å; N687-R689 PolarHBondContact O-N 3.25Å; N687-C717 WeakPolarHBondContact OD1-CA 3.4Å; N687-C717 WeakPolarHBondContact OD1-CB 3.36Å; N687-D718 PolarHBondContact ND2-O 3.48Å; N687-D718 PolarHBondContact OD1-N 3.42Å; N687-L721 WeakPolarHBondContact ND2-CB 3.49Å; N687-L721 PolarHBondContact ND2-O 3.41Å; N687-L721 VanDerWaalsContact ND2-O 3.12Å; N687-F722 WeakPolarHBondContact CB-O 3.26Å; N687-F722 PolarHBondContact ND2-O 3.31Å; N687-F724 VanDerWaalsContact ND2-CA 3.32Å; N687-F724 WeakPolarHBondContact ND2-CA 3.36Å; N687-F724 PolarHBondContact ND2-N 3.22Å; N687-C727 HydrophobicContact CB-CB 4.28Å
688D96.2Very high96.4Very high38 Ų3829 Ų2920%0.20314%0.138CC..  trans-81.385.3-176.1-169.8-22.5000109.8H656 A683 C686 E690 M691 C692H656-D688 IonicContact CD2-OD2 2.83Å; H656-D688 IonicContact CE1-OD2 2.79Å; H656-D688 IonicContact NE2-OD1 2.76Å; H656-D688 IonicContact NE2-OD2 3.77Å; H656-D688 PolarHBondContact NE2-OD2 2.96Å; A683-D688 PolarHBondContact O-N 3.03Å; A683-D688 VanDerWaalsContact O-N 3.1Å; C686-D688 HydrophobicContact CB-CB 4.42Å; C686-D688 PolarHBondContact O-N 3.45Å; D688-E690 VanDerWaalsContact C-N 3.26Å; D688-E690 PolarHBondContact O-N 2.98Å; D688-E690 PolarHBondContact OD1-N 3.21Å; D688-M691 HydrophobicContact CB-CB 3.9Å; D688-M691 PolarHBondContact O-N 2.76Å; D688-M691 WeakPolarHBondContact OD1-CB 3.35Å; D688-M691 PolarHBondContact OD1-N 2.97Å; D688-M691 WeakPolarHBondContact OD2-CB 3.47Å; D688-C692 WeakPolarHBondContact O-CB 3.41Å; D688-C692 PolarHBondContact O-N 2.83Å; D688-C692 PolarHBondContact O-SG 3.26Å
689R96.3Very high96.3Very high62 Ų6228.9 Ų28.923%0.23414%0.138CC..Hα-helixtrans-55.3-41.4177.7178.6-176.848.9589.2111.5N687 C692 E693 E726 C727 Y730N687-R689 PolarHBondContact O-N 3.25Å; R689-C692 WeakPolarHBondContact O-CB 3.34Å; R689-C692 PolarHBondContact O-N 2.8Å; R689-E693 IonicContact NH1-OE2 2.63Å; R689-E693 VanDerWaalsContact O-CB 3.28Å; R689-E693 WeakPolarHBondContact O-CB 3.36Å; R689-E693 PolarHBondContact O-N 2.95Å; R689-E726 IonicContact CZ-OE2 2.7Å; R689-E726 VanDerWaalsContact CZ-OE2 3.24Å; R689-E726 IonicContact NE-OE2 3.24Å; R689-E726 PolarHBondContact NE-OE2 3.25Å; R689-E726 IonicContact NH2-OE2 3.63Å; R689-E726 PolarHBondContact NH2-OE2 3.47Å; R689-C727 HydrophobicContact CB-CB 4.27Å; R689-Y730 HydrophobicContact CG-CG 4.19Å
690E96.4Very high96.1Very high121 Ų12129 Ų2957%0.56514%0.138SC*.Hα-helixtrans-69.9-39.9-175.2-63-171.8174.700111.3D688 E693 Y694D688-E690 VanDerWaalsContact C-N 3.26Å; D688-E690 PolarHBondContact O-N 2.98Å; D688-E690 PolarHBondContact OD1-N 3.21Å; E690-E693 PolarHBondContact O-N 3.41Å; E690-Y694 WeakPolarHBondContact O-CB 3.28Å; E690-Y694 PolarHBondContact O-N 3.33Å
691M97.2Very high96Very high7 Ų729 Ų293%0.03414%0.138CC..Hα-helixtrans-66.3-40.8170.6-172.95357.300112I651 H656 T659 A683 D688 E693 Y694 L695I651-M691 HydrophobicContact CG1-CG 4.26Å; I651-M691 HydrophobicContact CG1-SD 4.26Å; I651-M691 HydrophobicContact CG2-CG 4.31Å; H656-M691 HydrophobicContact CB-CE 4.13Å; H656-M691 WeakPolarHBondContact CD2-CE 3.17Å; T659-M691 HydrophobicContact CG2-CE 3.89Å; T659-M691 HydrophobicContact CG2-SD 3.4Å; T659-M691 WeakPolarHBondContact CG2-SD 3.36Å; A683-M691 HydrophobicContact CB-CB 4.12Å; A683-M691 HydrophobicContact CB-CG 3.76Å; D688-M691 HydrophobicContact CB-CB 3.9Å; D688-M691 PolarHBondContact O-N 2.76Å; D688-M691 WeakPolarHBondContact OD1-CB 3.35Å; D688-M691 PolarHBondContact OD1-N 2.97Å; D688-M691 WeakPolarHBondContact OD2-CB 3.47Å; M691-E693 PolarHBondContact O-N 3.18Å; M691-Y694 PolarHBondContact O-N 3.47Å; M691-Y694 HydrophobicContact SD-CD1 4.27Å; M691-L695 HydrophobicContact CG-CD1 3.9Å; M691-L695 HydrophobicContact CG-CG 4.34Å; M691-L695 WeakPolarHBondContact O-CB 3.09Å; M691-L695 WeakPolarHBondContact O-CD1 3.49Å; M691-L695 WeakPolarHBondContact O-CG 3.46Å; M691-L695 PolarHBondContact O-N 3.41Å; M691-L695 HydrophobicContact SD-CD1 4.22Å; M691-L695 HydrophobicContact SD-CD2 4.48Å; M691-L695 HydrophobicContact SD-CG 4.08Å
692C97.1Very high95.7Very high0 Ų029 Ų290%014%0.138CC..Hα-helixtrans-59.4-46.3173.8-700000111.7L680 A683 D688 R689 Y694 L695 V696 C727 Y730 L731L680-C692 HydrophobicContact CD1-CB 4.09Å; A683-C692 VanDerWaalsContact CB-SG 3.55Å; D688-C692 WeakPolarHBondContact O-CB 3.41Å; D688-C692 PolarHBondContact O-N 2.83Å; D688-C692 PolarHBondContact O-SG 3.26Å; R689-C692 WeakPolarHBondContact O-CB 3.34Å; R689-C692 PolarHBondContact O-N 2.8Å; C692-Y694 PolarHBondContact O-N 2.94Å; C692-L695 PolarHBondContact O-N 2.99Å; C692-V696 WeakPolarHBondContact O-CB 3.48Å; C692-V696 VanDerWaalsContact O-CG2 3.29Å; C692-V696 WeakPolarHBondContact O-CG2 3.36Å; C692-V696 PolarHBondContact O-N 2.69Å; C692-C727 VanDerWaalsContact SG-SG 3.7Å; C692-Y730 HydrophobicContact CB-CD1 4.43Å; C692-Y730 HydrophobicContact CB-CE1 4.44Å; C692-L731 HydrophobicContact CB-CD2 4.08Å; C692-L731 HydrophobicContact CB-CG 4.47Å
693E96.8Very high95.5Very high42 Ų4230.5 Ų30.520%0.19615%0.145CC..Hα-helixtrans-63.6-40178-170.2-176.1151.500111.9R689 E690 M691 R697 Y730R689-E693 IonicContact NH1-OE2 2.63Å; R689-E693 VanDerWaalsContact O-CB 3.28Å; R689-E693 WeakPolarHBondContact O-CB 3.36Å; R689-E693 PolarHBondContact O-N 2.95Å; E690-E693 PolarHBondContact O-N 3.41Å; M691-E693 PolarHBondContact O-N 3.18Å; E693-R697 WeakPolarHBondContact O-CG 3.47Å; E693-R697 PolarHBondContact O-N 2.94Å; E693-R697 VanDerWaalsContact O-N 3.11Å; E693-R697 IonicContact OE1-CZ 3.07Å; E693-R697 IonicContact OE1-NH1 3.81Å; E693-R697 PolarHBondContact OE1-NH1 3.47Å; E693-R697 IonicContact OE1-NH2 2.69Å; E693-R697 PolarHBondContact OE1-NH2 3Å; E693-Y730 WeakPolarHBondContact CA-OH 3.32Å; E693-Y730 HydrophobicContact CB-CE1 4.19Å; E693-Y730 HydrophobicContact CB-CE2 4.22Å; E693-Y730 HydrophobicContact CG-CE2 3.95Å
694Y96.9Very high95.2Very high54 Ų5430.5 Ų30.521%0.21215%0.145CC..Hα-helixtrans-62.1-48.5172-178.9-90.1000112T659 D660 V663 E690 M691 C692 R697 N698T659-Y694 HydrophobicContact CG2-CE1 4.41Å; D660-Y694 VanDerWaalsContact CA-OH 3.29Å; D660-Y694 WeakPolarHBondContact CA-OH 3.49Å; D660-Y694 HydrophobicContact CB-CE2 4.4Å; D660-Y694 PolarHBondContact OD1-OH 2.93Å; V663-Y694 HydrophobicContact CB-CE1 4.05Å; V663-Y694 HydrophobicContact CG1-CE1 4.01Å; V663-Y694 HydrophobicContact CG2-CE1 4.1Å; E690-Y694 WeakPolarHBondContact O-CB 3.28Å; E690-Y694 PolarHBondContact O-N 3.33Å; M691-Y694 PolarHBondContact O-N 3.47Å; M691-Y694 HydrophobicContact SD-CD1 4.27Å; C692-Y694 PolarHBondContact O-N 2.94Å; Y694-R697 PolarHBondContact O-N 3.25Å; Y694-N698 WeakPolarHBondContact CE1-ND2 3.37Å; Y694-N698 PolarHBondContact O-N 3.3Å; Y694-N698 PolarHBondContact O-ND2 3.27Å
695L96.4Very high94.9Very high0 Ų033.1 Ų33.10%016%0.157CC..Hα-helixtrans-64.7-42.9-178.8-68.2166.1000111.4I651 T659 V669 P679 L680 A683 M691 C692 R697 N698 G699 A700I651-L695 HydrophobicContact CD1-CD1 3.84Å; I651-L695 HydrophobicContact CD1-CD2 4.06Å; T659-L695 HydrophobicContact CG2-CD2 4.5Å; V669-L695 HydrophobicContact CG1-CB 4.21Å; V669-L695 HydrophobicContact CG1-CD2 3.67Å; P679-L695 HydrophobicContact CB-CD1 4.41Å; P679-L695 HydrophobicContact CB-CD2 4.26Å; L680-L695 HydrophobicContact CD1-CB 4.04Å; L680-L695 HydrophobicContact CD1-CD1 4.37Å; A683-L695 HydrophobicContact CB-CD1 3.73Å; M691-L695 HydrophobicContact CG-CD1 3.9Å; M691-L695 HydrophobicContact CG-CG 4.34Å; M691-L695 WeakPolarHBondContact O-CB 3.09Å; M691-L695 WeakPolarHBondContact O-CD1 3.49Å; M691-L695 WeakPolarHBondContact O-CG 3.46Å; M691-L695 PolarHBondContact O-N 3.41Å; M691-L695 HydrophobicContact SD-CD1 4.22Å; M691-L695 HydrophobicContact SD-CD2 4.48Å; M691-L695 HydrophobicContact SD-CG 4.08Å; C692-L695 PolarHBondContact O-N 2.99Å; L695-R697 PolarHBondContact O-N 2.98Å; L695-N698 CarbonylContact O-C 3.55Å; L695-N698 PolarHBondContact O-N 3.01Å; L695-N698 VanDerWaalsContact O-N 3.11Å; L695-G699 PolarHBondContact O-N 3.11Å; L695-A700 HydrophobicContact CB-CB 4.07Å; L695-A700 VanDerWaalsContact O-CB 3.25Å; L695-A700 WeakPolarHBondContact O-CB 3.28Å; L695-A700 PolarHBondContact O-N 3.44Å
696V95.4Very high94.7Very high0 Ų031.5 Ų31.50%015%0.145CC..Hα-helixtrans-58.7-47.1175170.70000111.1L680 C692 N698 G699 V702 Y730 L798 F799L680-V696 HydrophobicContact CD1-CG2 4.04Å; L680-V696 HydrophobicContact CD2-CG2 4.34Å; C692-V696 WeakPolarHBondContact O-CB 3.48Å; C692-V696 VanDerWaalsContact O-CG2 3.29Å; C692-V696 WeakPolarHBondContact O-CG2 3.36Å; C692-V696 PolarHBondContact O-N 2.69Å; V696-N698 PolarHBondContact O-N 3.39Å; V696-G699 PolarHBondContact O-N 2.71Å; V696-V702 HydrophobicContact CG1-CG2 4.48Å; V696-V702 HydrophobicContact CG2-CG2 4.19Å; V696-Y730 HydrophobicContact CG2-CE1 4.42Å; V696-L798 HydrophobicContact CG1-CD1 4.05Å; V696-F799 HydrophobicContact CG1-CD2 4.23Å; V696-F799 HydrophobicContact CG1-CE2 4.32Å; V696-F799 WeakPolarHBondContact O-CD2 3.3Å
697R94.4Very high94.3Very high140 Ų14032.5 Ų32.553%0.52814%0.144SC..Hα-helixtrans-58.8-26.1175.6-79.2-177.2177.2119.211114.3E693 Y694 L695 F799E693-R697 WeakPolarHBondContact O-CG 3.47Å; E693-R697 PolarHBondContact O-N 2.94Å; E693-R697 VanDerWaalsContact O-N 3.11Å; E693-R697 IonicContact OE1-CZ 3.07Å; E693-R697 IonicContact OE1-NH1 3.81Å; E693-R697 PolarHBondContact OE1-NH1 3.47Å; E693-R697 IonicContact OE1-NH2 2.69Å; E693-R697 PolarHBondContact OE1-NH2 3Å; Y694-R697 PolarHBondContact O-N 3.25Å; L695-R697 PolarHBondContact O-N 2.98Å; R697-F799 HydrophobicContact CG-CE2 4.39Å; R697-F799 WeakPolarHBondContact O-CB 3.46Å
698N94.8Very high93.7Very high30 Ų3041 Ų4116%0.1618%0.176CC..THydrogen-bonded Turntrans-99.411.9-177.3-73.2-75.4000113.9V663 V669 Y694 L695 V696 V802V663-N698 HydrophobicContact CG1-CB 3.62Å; V669-N698 HydrophobicContact CG2-CB 4.39Å; Y694-N698 WeakPolarHBondContact CE1-ND2 3.37Å; Y694-N698 PolarHBondContact O-N 3.3Å; Y694-N698 PolarHBondContact O-ND2 3.27Å; L695-N698 CarbonylContact O-C 3.55Å; L695-N698 PolarHBondContact O-N 3.01Å; L695-N698 VanDerWaalsContact O-N 3.11Å; V696-N698 PolarHBondContact O-N 3.39Å; N698-V802 HydrophobicContact CB-CG2 3.78Å; N698-V802 PolarHBondContact O-N 3Å; N698-V802 WeakPolarHBondContact OD1-CG2 3.42Å
699G92.2Very high93.3Very high0 Ų043.6 Ų43.60%019%0.189CC..THydrogen-bonded Turntrans89.637.217600000114.6S670 L695 V696 F799S670-G699 PolarHBondContact OG-O 3.43Å; L695-G699 PolarHBondContact O-N 3.11Å; V696-G699 PolarHBondContact O-N 2.71Å; G699-F799 WeakPolarHBondContact CA-O 3.37Å
700A94.6Very high92.9Very high1 Ų143 Ų431%0.00820%0.202CC..  trans-68.6136.6162.300000111.2V669 S670 L680 L695 V702V669-A700 HydrophobicContact CG1-CB 3.93Å; S670-A700 WeakPolarHBondContact OG-CA 3.45Å; L680-A700 HydrophobicContact CB-CB 4.29Å; L680-A700 HydrophobicContact CD1-CB 4.44Å; L680-A700 HydrophobicContact CD2-CB 4.14Å; L695-A700 HydrophobicContact CB-CB 4.07Å; L695-A700 VanDerWaalsContact O-CB 3.25Å; L695-A700 WeakPolarHBondContact O-CB 3.28Å; L695-A700 PolarHBondContact O-N 3.44Å; A700-V702 PolarHBondContact O-N 2.63Å
701A93.7Very high92.7Very high1 Ų137.6 Ų37.61%0.00818%0.178CC..  trans-74109.5168.900000109.5M360 S670 A704 L749 W750M360-A701 HydrophobicContact CE-CB 3.55Å; S670-A701 PolarHBondContact OG-N 3.31Å; A701-A704 HydrophobicContact CB-CB 4.22Å; A701-A704 WeakPolarHBondContact O-CB 3.17Å; A701-L749 VanDerWaalsContact CA-CD1 3.46Å; A701-L749 HydrophobicContact CB-CD1 3.59Å; A701-W750 HydrophobicContact CB-CH2 3.77Å; A701-W750 HydrophobicContact CB-CZ3 3.86Å
702V92.9Very high92.5Very high0 Ų038.2 Ų38.20%018%0.183CC..THydrogen-bonded Turntrans-71.1-46.2-178.5-165.10000110.4V696 A700 A704 K734 E735 M738 L798V696-V702 HydrophobicContact CG1-CG2 4.48Å; V696-V702 HydrophobicContact CG2-CG2 4.19Å; A700-V702 PolarHBondContact O-N 2.63Å; V702-A704 PolarHBondContact O-N 2.76Å; V702-K734 HydrophobicContact CG1-CB 4.16Å; V702-E735 HydrophobicContact CG1-CG 3.66Å; V702-M738 HydrophobicContact CB-SD 3.71Å; V702-M738 HydrophobicContact CG2-SD 3.82Å; V702-L798 HydrophobicContact CG2-CD1 4.48Å
703M90.7Very high92.4Very high41 Ų4138.2 Ų38.220%0.20218%0.183CC..THydrogen-bonded Turntrans-80.733.1176.1-58.6-157.375.300113.3M738 W780 N793 N794M703-M738 HydrophobicContact CG-CE 4.34Å; M703-M738 HydrophobicContact CG-SD 4.14Å; M703-W780 HydrophobicContact SD-CH2 3.46Å; M703-W780 WeakPolarHBondContact SD-CH2 3.42Å; M703-W780 HydrophobicContact SD-CZ2 3.46Å; M703-W780 WeakPolarHBondContact SD-CZ2 3.44Å; M703-N793 WeakPolarHBondContact CE-ND2 3.44Å; M703-N793 HydrophobicContact SD-CB 3.93Å; M703-N794 WeakPolarHBondContact O-CB 3.46Å
704A91Very high92.3Very high1 Ų136.5 Ų36.51%0.00818%0.175CC..  trans-72.5144.8165.500000109.7M360 T678 H681 A701 V702 T712M360-A704 HydrophobicContact CE-CB 3.43Å; M360-A704 VanDerWaalsContact CE-CB 3.43Å; M360-A704 HydrophobicContact SD-CB 4.09Å; T678-A704 HydrophobicContact CG2-CB 4.08Å; H681-A704 PolarHBondContact NE2-O 3.11Å; A701-A704 HydrophobicContact CB-CB 4.22Å; A701-A704 WeakPolarHBondContact O-CB 3.17Å; V702-A704 PolarHBondContact O-N 2.76Å; A704-T712 WeakPolarHBondContact O-CA 3.37Å
705F91.3Very high92.2Very high55 Ų5540 Ų4024%0.24119%0.194CC..  trans-128.1145178.662.1-104.3000112.4L358 A711 N794L358-F705 WeakPolarHBondContact O-CZ 3.37Å; F705-A711 WeakPolarHBondContact CA-O 3.38Å; F705-N794 WeakPolarHBondContact CE1-ND2 3.41Å
706T92.4Very high92.2Very high0 Ų041.5 Ų41.50%020%0.2CC..  trans-77.6138.1176.554.80000112.2W677 R708 D709 G710 A711W677-T706 HydrophobicContact CD2-CG2 4.42Å; W677-T706 HydrophobicContact CG-CG2 4.01Å; T706-R708 VanDerWaalsContact C-N 3.3Å; T706-R708 PolarHBondContact O-N 2.74Å; T706-D709 VanDerWaalsContact CB-OD1 3.29Å; T706-D709 WeakPolarHBondContact CB-OD1 3.46Å; T706-D709 PolarHBondContact OG1-OD1 2.8Å; T706-G710 WeakPolarHBondContact O-CA 3.17Å; T706-G710 PolarHBondContact O-N 2.79Å; T706-A711 PolarHBondContact N-O 3.34Å; T706-A711 PolarHBondContact OG1-N 3.43Å; T706-A711 PolarHBondContact OG1-O 2.88Å
707H86.9Confident92.3Very high81 Ų8142 Ų4238%0.37520%0.203SC..THydrogen-bonded Turntrans-69.5-18.9-174.7-67.6133.7000115N359 H675 G676N359-H707 PolarHBondContact ND2-CD2 2.79Å; N359-H707 PolarHBondContact ND2-NE2 2.98Å; H675-H707 WeakPolarHBondContact O-CB 3.4Å; H675-H707 PolarHBondContact O-N 2.88Å; G676-H707 VanDerWaalsContact CA-ND1 3.35Å; G676-H707 WeakPolarHBondContact CA-ND1 3.27Å; G676-H707 PolarHBondContact N-ND1 2.89Å
708R83.9Confident92.3Very high188 Ų18837.9 Ų37.971%0.70919%0.192SC*.THydrogen-bonded Turntrans-85.3-30.5-176.5-70.7-169.7178.2-154.35.9113.4H675 T706H675-R708 PolarHBondContact CD2-NE 3.41Å; H675-R708 PolarHBondContact CD2-NH2 3.23Å; H675-R708 PolarHBondContact NE2-NH2 3.31Å; T706-R708 VanDerWaalsContact C-N 3.3Å; T706-R708 PolarHBondContact O-N 2.74Å
709D87.7Confident92.3Very high92 Ų9240.3 Ų40.349%0.49221%0.209SC..THydrogen-bonded Turntrans-147.8-3-157.544.9-14.7000113.3T706 A711 K716T706-D709 VanDerWaalsContact CB-OD1 3.29Å; T706-D709 WeakPolarHBondContact CB-OD1 3.46Å; T706-D709 PolarHBondContact OG1-OD1 2.8Å; D709-A711 PolarHBondContact O-N 2.77Å; D709-K716 IonicContact OD1-NZ 2.64Å; D709-K716 IonicContact OD2-NZ 3.25Å; D709-K716 PolarHBondContact OD2-NZ 2.75Å
710G88.5Confident92.4Very high49 Ų4950.3 Ų50.351%0.50525%0.248SC..  trans69.810.517300000114.9T706T706-G710 WeakPolarHBondContact O-CA 3.17Å; T706-G710 PolarHBondContact O-N 2.79Å
711A91.4Very high92.4Very high7 Ų754.6 Ų54.66%0.05827%0.27CS..  trans-83.4141.8-172.300000111.6H681 F705 T706 D709 Q715 K716H681-A711 PolarHBondContact NE2-O 2.99Å; F705-A711 WeakPolarHBondContact CA-O 3.38Å; T706-A711 PolarHBondContact N-O 3.34Å; T706-A711 PolarHBondContact OG1-N 3.43Å; T706-A711 PolarHBondContact OG1-O 2.88Å; D709-A711 PolarHBondContact O-N 2.77Å; A711-Q715 VanDerWaalsContact CA-OE1 3.32Å; A711-Q715 HydrophobicContact CB-CB 4.03Å; A711-K716 HydrophobicContact CB-CD 4.49Å
712T93.3Very high92.3Very high21 Ų2163.7 Ų63.713%0.12931%0.31CS..  trans-85.9178.5173.963.30000111.9A704 S714 Q715 E735A704-T712 WeakPolarHBondContact O-CA 3.37Å; T712-S714 PolarHBondContact O-N 3.12Å; T712-S714 PolarHBondContact OG1-OG 3.02Å; T712-Q715 PolarHBondContact O-N 3.27Å; T712-E735 WeakPolarHBondContact CB-OE1 3.12Å; T712-E735 PolarHBondContact OG1-OE1 3.19Å
713A94.8Very high92.4Very high0 Ų064.5 Ų64.50%032%0.318CS..SBendtrans-61.3-41.1179.200000113.1L680 H681 A684 Q715 K716 L731L680-A713 HydrophobicContact CB-CB 4.44Å; L680-A713 HydrophobicContact CD2-CB 3.87Å; L680-A713 HydrophobicContact CG-CB 3.78Å; H681-A713 PolarHBondContact NE2-N 3.04Å; A684-A713 HydrophobicContact CB-CB 4.4Å; A684-A713 WeakPolarHBondContact CB-O 3.29Å; A713-Q715 PolarHBondContact O-N 3.41Å; A713-K716 PolarHBondContact O-N 3.24Å; A713-L731 HydrophobicContact CB-CD1 4.26Å
714S95.6Very high92.6Very high6 Ų665.1 Ų65.14%0.04232%0.32CS..G310 helixtrans-58.1-37.1177.561.80000111.9T712 K716 C717 E735T712-S714 PolarHBondContact O-N 3.12Å; T712-S714 PolarHBondContact OG1-OG 3.02Å; S714-K716 PolarHBondContact O-N 3.23Å; S714-C717 PolarHBondContact O-N 2.64Å; S714-E735 VanDerWaalsContact CB-OE2 3.28Å; S714-E735 WeakPolarHBondContact CB-OE2 3.37Å; S714-E735 PolarHBondContact OG-OE1 2.86Å; S714-E735 VanDerWaalsContact OG-OE1 3.06Å; S714-E735 PolarHBondContact OG-OE2 3.1Å
715Q95.2Very high92.9Very high128 Ų12872.6 Ų72.660%0.59836%0.355SS*.G310 helixtrans-77.74.8178.2-58178.25.200114A711 T712 A713A711-Q715 VanDerWaalsContact CA-OE1 3.32Å; A711-Q715 HydrophobicContact CB-CB 4.03Å; T712-Q715 PolarHBondContact O-N 3.27Å; A713-Q715 PolarHBondContact O-N 3.41Å
716K95.8Very high93.1Very high30 Ų3074.4 Ų74.413%0.1336%0.364CS..G310 helixtrans-104.9-5.3172.9-65.2-48.7-175.5-161.90114.7W677 H681 A684 S685 D709 A711 A713 S714W677-K716 HydrophobicContact CH2-CD 4.04Å; W677-K716 HydrophobicContact CH2-CG 4.26Å; W677-K716 HydrophobicContact CZ2-CD 3.95Å; W677-K716 HydrophobicContact CZ2-CG 4.47Å; H681-K716 HydrophobicContact CB-CG 4.38Å; A684-K716 HydrophobicContact CB-CB 4.27Å; S685-K716 VanDerWaalsContact CA-O 3.26Å; S685-K716 WeakPolarHBondContact CA-O 3.21Å; D709-K716 IonicContact OD1-NZ 2.64Å; D709-K716 IonicContact OD2-NZ 3.25Å; D709-K716 PolarHBondContact OD2-NZ 2.75Å; A711-K716 HydrophobicContact CB-CD 4.49Å; A713-K716 PolarHBondContact O-N 3.24Å; S714-K716 PolarHBondContact O-N 3.23Å
717C96.6Very high93.3Very high11 Ų1174.4 Ų74.47%0.07436%0.364CS..  trans-58.6137.6171.2-59.70000111.1A684 N687 S714 P719 F724 E728A684-C717 WeakPolarHBondContact O-CA 3.37Å; N687-C717 WeakPolarHBondContact OD1-CA 3.4Å; N687-C717 WeakPolarHBondContact OD1-CB 3.36Å; S714-C717 PolarHBondContact O-N 2.64Å; C717-P719 WeakPolarHBondContact O-CD 3.49Å; C717-F724 HydrophobicContact CB-CD2 3.57Å; C717-F724 HydrophobicContact CB-CE2 3.62Å; C717-E728 HydrophobicContact CB-CB 3.95Å; C717-E728 HydrophobicContact CB-CG 4.26Å
718D95.4Very high93.8Very high54 Ų5472.7 Ų72.729%0.28936%0.356SS..  trans-92.3113.2-178.1-172.7-25.3000110.2N687 Y720 L721 F724N687-D718 PolarHBondContact ND2-O 3.48Å; N687-D718 PolarHBondContact OD1-N 3.42Å; D718-Y720 PolarHBondContact O-N 3.11Å; D718-Y720 VanDerWaalsContact O-N 3.1Å; D718-Y720 WeakPolarHBondContact OD1-CB 3.46Å; D718-Y720 WeakPolarHBondContact OD1-CD2 3.4Å; D718-Y720 PolarHBondContact OD1-N 3.28Å; D718-L721 HydrophobicContact CB-CB 4.23Å; D718-L721 HydrophobicContact CB-CD1 3.96Å; D718-L721 HydrophobicContact CB-CG 4.01Å; D718-L721 PolarHBondContact O-N 2.84Å; D718-F724 VanDerWaalsContact C-CD2 3.44Å; D718-F724 WeakPolarHBondContact O-CD2 3.32Å
719P95.3Very high94.4Very high80 Ų8066.9 Ų66.952%0.51934%0.344SS..THydrogen-bonded Turntrans-69.3-4.9-17830.8-36.8000114.3C717 F724C717-P719 WeakPolarHBondContact O-CD 3.49Å; P719-F724 VanDerWaalsContact CA-CD2 3.49Å; P719-F724 HydrophobicContact CB-CD1 4.42Å; P719-F724 HydrophobicContact CB-CD2 4.12Å; P719-F724 HydrophobicContact CB-CE1 4.32Å; P719-F724 HydrophobicContact CB-CE2 3.99Å; P719-F724 HydrophobicContact CB-CG 4.34Å; P719-F724 HydrophobicContact CB-CZ 4.11Å
720Y94.1Very high94.9Very high211 Ų21164.6 Ų64.683%0.82733%0.329SS*.THydrogen-bonded Turntrans-102.6-4.9176.8-53.8-68.6000113.5D718D718-Y720 PolarHBondContact O-N 3.11Å; D718-Y720 VanDerWaalsContact O-N 3.1Å; D718-Y720 WeakPolarHBondContact OD1-CB 3.46Å; D718-Y720 WeakPolarHBondContact OD1-CD2 3.4Å; D718-Y720 PolarHBondContact OD1-N 3.28Å
721L93.4Very high95.3Very high90 Ų9062.2 Ų62.247%0.47131%0.305SS..SBendtrans-101.6154.9174.4-64.9-179.5000111.4N687 D718N687-L721 WeakPolarHBondContact ND2-CB 3.49Å; N687-L721 PolarHBondContact ND2-O 3.41Å; N687-L721 VanDerWaalsContact ND2-O 3.12Å; D718-L721 HydrophobicContact CB-CB 4.23Å; D718-L721 HydrophobicContact CB-CD1 3.96Å; D718-L721 HydrophobicContact CB-CG 4.01Å; D718-L721 PolarHBondContact O-N 2.84Å
722F93.3Very high95.5Very high193 Ų19366.3 Ų66.385%0.84632%0.319SS*.THydrogen-bonded Turntrans-60156.5173.5-176.8-98.7000111.2N687 F724N687-F722 WeakPolarHBondContact CB-O 3.26Å; N687-F722 PolarHBondContact ND2-O 3.31Å; F722-F724 PolarHBondContact O-N 3.44Å
723G93.3Very high95.5Very high16 Ų1667.5 Ų67.517%0.16533%0.33CS..THydrogen-bonded Turntrans75.11.6178.100000115.8E725 E726 C727G723-E725 PolarHBondContact O-N 3.24Å; G723-E726 PolarHBondContact O-N 2.86Å; G723-C727 WeakPolarHBondContact O-CB 3.35Å; G723-C727 PolarHBondContact O-N 3.12Å
724F96.3Very high95.5Very high54 Ų5469.6 Ų69.624%0.23734%0.34CS..Hα-helixtrans-50.3-57.4-178.6172.6-103.4000112.6N687 C717 D718 P719 F722 E726 C727 E728N687-F724 VanDerWaalsContact ND2-CA 3.32Å; N687-F724 WeakPolarHBondContact ND2-CA 3.36Å; N687-F724 PolarHBondContact ND2-N 3.22Å; C717-F724 HydrophobicContact CB-CD2 3.57Å; C717-F724 HydrophobicContact CB-CE2 3.62Å; D718-F724 VanDerWaalsContact C-CD2 3.44Å; D718-F724 WeakPolarHBondContact O-CD2 3.32Å; P719-F724 VanDerWaalsContact CA-CD2 3.49Å; P719-F724 HydrophobicContact CB-CD1 4.42Å; P719-F724 HydrophobicContact CB-CD2 4.12Å; P719-F724 HydrophobicContact CB-CE1 4.32Å; P719-F724 HydrophobicContact CB-CE2 3.99Å; P719-F724 HydrophobicContact CB-CG 4.34Å; P719-F724 HydrophobicContact CB-CZ 4.11Å; F722-F724 PolarHBondContact O-N 3.44Å; F724-E726 PolarHBondContact O-N 2.85Å; F724-C727 PolarHBondContact O-N 3.26Å; F724-E728 HydrophobicContact CD2-CB 4.46Å; F724-E728 HydrophobicContact CE2-CB 4.15Å; F724-E728 HydrophobicContact CE2-CG 4.13Å; F724-E728 HydrophobicContact CZ-CB 4.19Å; F724-E728 HydrophobicContact CZ-CG 3.99Å; F724-E728 WeakPolarHBondContact CZ-OE1 3.21Å; F724-E728 WeakPolarHBondContact O-CB 3.44Å; F724-E728 PolarHBondContact O-N 3.27Å
725E96.3Very high95.4Very high159 Ų15970.7 Ų70.774%0.74334%0.344SS*.Hα-helixtrans-62.1-41.5-175.7-174.4173.6-171.500111.9G723 S729G723-E725 PolarHBondContact O-N 3.24Å; E725-S729 WeakPolarHBondContact O-CB 3.02Å; E725-S729 PolarHBondContact O-N 3.45Å
726E96.1Very high95.1Very high93 Ų9370.5 Ų70.544%0.43534%0.343SS..Hα-helixtrans-61.6-47.8174.8-77.4-172.3-130.400112.5R689 G723 F724 Y730R689-E726 IonicContact CZ-OE2 2.7Å; R689-E726 VanDerWaalsContact CZ-OE2 3.24Å; R689-E726 IonicContact NE-OE2 3.24Å; R689-E726 PolarHBondContact NE-OE2 3.25Å; R689-E726 IonicContact NH2-OE2 3.63Å; R689-E726 PolarHBondContact NH2-OE2 3.47Å; G723-E726 PolarHBondContact O-N 2.86Å; F724-E726 PolarHBondContact O-N 2.85Å; E726-Y730 WeakPolarHBondContact O-CB 3.07Å; E726-Y730 PolarHBondContact O-N 3.07Å
727C97.1Very high94.8Very high0 Ų069.6 Ų69.60%034%0.341CS..Hα-helixtrans-73.3-45.5-175.3-167.20000111.9N687 R689 C692 G723 F724 Y730 L731N687-C727 HydrophobicContact CB-CB 4.28Å; R689-C727 HydrophobicContact CB-CB 4.27Å; C692-C727 VanDerWaalsContact SG-SG 3.7Å; G723-C727 WeakPolarHBondContact O-CB 3.35Å; G723-C727 PolarHBondContact O-N 3.12Å; F724-C727 PolarHBondContact O-N 3.26Å; C727-Y730 PolarHBondContact O-N 2.99Å; C727-L731 WeakPolarHBondContact O-CB 3.34Å; C727-L731 WeakPolarHBondContact O-CG 3.39Å; C727-L731 PolarHBondContact O-N 3.03Å
728E97Very high94.5Very high44 Ų4469.1 Ų69.121%0.20634%0.337CS..Hα-helixtrans-67.1-44.4179.7-163.9-134.8-151.600111.5C717 F724 L731 R732C717-E728 HydrophobicContact CB-CB 3.95Å; C717-E728 HydrophobicContact CB-CG 4.26Å; F724-E728 HydrophobicContact CD2-CB 4.46Å; F724-E728 HydrophobicContact CE2-CB 4.15Å; F724-E728 HydrophobicContact CE2-CG 4.13Å; F724-E728 HydrophobicContact CZ-CB 4.19Å; F724-E728 HydrophobicContact CZ-CG 3.99Å; F724-E728 WeakPolarHBondContact CZ-OE1 3.21Å; F724-E728 WeakPolarHBondContact O-CB 3.44Å; F724-E728 PolarHBondContact O-N 3.27Å; E728-L731 PolarHBondContact O-N 3.42Å; E728-R732 VanDerWaalsContact O-CB 3.28Å; E728-R732 WeakPolarHBondContact O-CB 3.48Å; E728-R732 PolarHBondContact O-N 2.89Å; E728-R732 IonicContact OE1-CZ 3.81Å; E728-R732 IonicContact OE1-NH1 3.98Å; E728-R732 IonicContact OE1-NH2 3.83Å; E728-R732 PolarHBondContact OE1-NH2 3.41Å; E728-R732 IonicContact OE2-CZ 3.52Å; E728-R732 VanDerWaalsContact OE2-CZ 3.25Å; E728-R732 IonicContact OE2-NH1 3.85Å; E728-R732 PolarHBondContact OE2-NH1 3.45Å; E728-R732 IonicContact OE2-NH2 2.76Å; E728-R732 PolarHBondContact OE2-NH2 3.27Å
729S96.9Very high94Very high66 Ų6667 Ų6746%0.46233%0.329SS..Hα-helixtrans-63.7-43.5174.9-172.70000111.8E725 A733E725-S729 WeakPolarHBondContact O-CB 3.02Å; E725-S729 PolarHBondContact O-N 3.45Å; S729-A733 VanDerWaalsContact O-CB 3.26Å; S729-A733 WeakPolarHBondContact O-CB 3.34Å; S729-A733 PolarHBondContact O-N 2.99Å
730Y97.3Very high93.6Very high44 Ų4467.8 Ų67.817%0.17333%0.332CS..Hα-helixtrans-58-50.2174.5174-92.5000112R689 C692 E693 V696 E726 C727 A733 K734R689-Y730 HydrophobicContact CG-CG 4.19Å; C692-Y730 HydrophobicContact CB-CD1 4.43Å; C692-Y730 HydrophobicContact CB-CE1 4.44Å; E693-Y730 WeakPolarHBondContact CA-OH 3.32Å; E693-Y730 HydrophobicContact CB-CE1 4.19Å; E693-Y730 HydrophobicContact CB-CE2 4.22Å; E693-Y730 HydrophobicContact CG-CE2 3.95Å; V696-Y730 HydrophobicContact CG2-CE1 4.42Å; E726-Y730 WeakPolarHBondContact O-CB 3.07Å; E726-Y730 PolarHBondContact O-N 3.07Å; C727-Y730 PolarHBondContact O-N 2.99Å; Y730-A733 PolarHBondContact O-N 3.2Å; Y730-K734 HydrophobicContact CD1-CG 4.47Å; Y730-K734 HydrophobicContact CE1-CG 3.91Å; Y730-K734 HydrophobicContact CE2-CG 4.2Å; Y730-K734 WeakPolarHBondContact O-CG 3.49Å; Y730-K734 PolarHBondContact O-N 2.94Å
731L96.4Very high93.1Very high0 Ų061.2 Ų61.20%031%0.311CS..Hα-helixtrans-66.3-44.1-177.8-72.4171.5000111.7L680 A684 C692 A713 C727 E728 A733 K734 E735L680-L731 HydrophobicContact CD1-CD2 4.08Å; L680-L731 HydrophobicContact CD2-CD2 4.33Å; L680-L731 HydrophobicContact CG-CD2 4.33Å; A684-L731 HydrophobicContact CB-CD1 3.6Å; C692-L731 HydrophobicContact CB-CD2 4.08Å; C692-L731 HydrophobicContact CB-CG 4.47Å; A713-L731 HydrophobicContact CB-CD1 4.26Å; C727-L731 WeakPolarHBondContact O-CB 3.34Å; C727-L731 WeakPolarHBondContact O-CG 3.39Å; C727-L731 PolarHBondContact O-N 3.03Å; E728-L731 PolarHBondContact O-N 3.42Å; L731-A733 PolarHBondContact O-N 2.91Å; L731-K734 CarbonylContact O-C 3.53Å; L731-K734 WeakPolarHBondContact O-CA 3.44Å; L731-K734 WeakPolarHBondContact O-CB 3.33Å; L731-K734 PolarHBondContact O-N 3.14Å; L731-E735 WeakPolarHBondContact O-CG 3.35Å; L731-E735 PolarHBondContact O-N 3.01Å
732R95.6Very high92.8Very high93 Ų9361.7 Ų61.735%0.35131%0.314SS..Hα-helixtrans-57.5-47.4174-178.9-176-66109.1-1.7111.5E728 K734 E735 E736E728-R732 VanDerWaalsContact O-CB 3.28Å; E728-R732 WeakPolarHBondContact O-CB 3.48Å; E728-R732 PolarHBondContact O-N 2.89Å; E728-R732 IonicContact OE1-CZ 3.81Å; E728-R732 IonicContact OE1-NH1 3.98Å; E728-R732 IonicContact OE1-NH2 3.83Å; E728-R732 PolarHBondContact OE1-NH2 3.41Å; E728-R732 IonicContact OE2-CZ 3.52Å; E728-R732 VanDerWaalsContact OE2-CZ 3.25Å; E728-R732 IonicContact OE2-NH1 3.85Å; E728-R732 PolarHBondContact OE2-NH1 3.45Å; E728-R732 IonicContact OE2-NH2 2.76Å; E728-R732 PolarHBondContact OE2-NH2 3.27Å; R732-K734 PolarHBondContact O-N 2.95Å; R732-E735 WeakPolarHBondContact O-CB 3.44Å; R732-E735 PolarHBondContact O-N 2.81Å; R732-E736 WeakPolarHBondContact CG-OE1 3.29Å; R732-E736 WeakPolarHBondContact O-CG 3.15Å; R732-E736 PolarHBondContact O-N 2.73Å
733A94.8Very high92.5Very high45 Ų4559.7 Ų59.737%0.37231%0.312SS..Hα-helixtrans-60.7-29.5176.200000112.4S729 Y730 L731 S737S729-A733 VanDerWaalsContact O-CB 3.26Å; S729-A733 WeakPolarHBondContact O-CB 3.34Å; S729-A733 PolarHBondContact O-N 2.99Å; Y730-A733 PolarHBondContact O-N 3.2Å; L731-A733 PolarHBondContact O-N 2.91Å; A733-S737 VanDerWaalsContact O-CB 3.3Å; A733-S737 WeakPolarHBondContact O-CB 2.95Å; A733-S737 PolarHBondContact O-N 3.34Å; A733-S737 PolarHBondContact O-OG 3.21Å
734K94.4Very high92.3Very high45 Ų4559.1 Ų59.120%0.19631%0.306CS..Hα-helixtrans-77.3-31.5173-67.4-60119.2-146.60113.7V702 Y730 L731 R732 S737 M738 D741 L798V702-K734 HydrophobicContact CG1-CB 4.16Å; Y730-K734 HydrophobicContact CD1-CG 4.47Å; Y730-K734 HydrophobicContact CE1-CG 3.91Å; Y730-K734 HydrophobicContact CE2-CG 4.2Å; Y730-K734 WeakPolarHBondContact O-CG 3.49Å; Y730-K734 PolarHBondContact O-N 2.94Å; L731-K734 CarbonylContact O-C 3.53Å; L731-K734 WeakPolarHBondContact O-CA 3.44Å; L731-K734 WeakPolarHBondContact O-CB 3.33Å; L731-K734 PolarHBondContact O-N 3.14Å; R732-K734 PolarHBondContact O-N 2.95Å; K734-S737 WeakPolarHBondContact CA-OG 3.43Å; K734-S737 PolarHBondContact NZ-OG 3.38Å; K734-S737 VanDerWaalsContact NZ-OG 3.14Å; K734-M738 WeakPolarHBondContact O-CG 3.35Å; K734-M738 PolarHBondContact O-N 2.84Å; K734-D741 IonicContact NZ-OD2 2.69Å; K734-L798 HydrophobicContact CB-CD1 4.05Å; K734-L798 HydrophobicContact CD-CD1 3.47Å; K734-L798 VanDerWaalsContact CD-CD1 3.47Å; K734-L798 HydrophobicContact CG-CD1 4.2Å
735E92.1Very high92.1Very high28 Ų2858.2 Ų58.213%0.13131%0.305CS..Hα-helixtrans-68.6-39.1171.2-66.8168.9150.300111.8V702 T712 S714 L731 R732 K773V702-E735 HydrophobicContact CG1-CG 3.66Å; T712-E735 WeakPolarHBondContact CB-OE1 3.12Å; T712-E735 PolarHBondContact OG1-OE1 3.19Å; S714-E735 VanDerWaalsContact CB-OE2 3.28Å; S714-E735 WeakPolarHBondContact CB-OE2 3.37Å; S714-E735 PolarHBondContact OG-OE1 2.86Å; S714-E735 VanDerWaalsContact OG-OE1 3.06Å; S714-E735 PolarHBondContact OG-OE2 3.1Å; L731-E735 WeakPolarHBondContact O-CG 3.35Å; L731-E735 PolarHBondContact O-N 3.01Å; R732-E735 WeakPolarHBondContact O-CB 3.44Å; R732-E735 PolarHBondContact O-N 2.81Å; E735-K773 PolarHBondContact O-NZ 3.41Å
736E90.3Very high92Very high125 Ų12550.7 Ų50.758%0.58427%0.27SS*.Hα-helixtrans-70.5-49.5177-71.8174.5-165.200111.9R732 M738 K773R732-E736 WeakPolarHBondContact CG-OE1 3.29Å; R732-E736 WeakPolarHBondContact O-CG 3.15Å; R732-E736 PolarHBondContact O-N 2.73Å; E736-M738 VanDerWaalsContact C-N 3.29Å; E736-M738 PolarHBondContact O-N 3.08Å; E736-K773 PolarHBondContact O-NZ 3.01Å
737S89.9Confident91.9Very high11 Ų1149.2 Ų49.28%0.07726%0.261CS..Hα-helixtrans-66.8-20.2-179.948.60000115.1A733 K734 G739 V740 D741A733-S737 VanDerWaalsContact O-CB 3.3Å; A733-S737 WeakPolarHBondContact O-CB 2.95Å; A733-S737 PolarHBondContact O-N 3.34Å; A733-S737 PolarHBondContact O-OG 3.21Å; K734-S737 WeakPolarHBondContact CA-OG 3.43Å; K734-S737 PolarHBondContact NZ-OG 3.38Å; K734-S737 VanDerWaalsContact NZ-OG 3.14Å; S737-G739 PolarHBondContact O-N 2.86Å; S737-G739 VanDerWaalsContact O-N 3.16Å; S737-V740 PolarHBondContact O-N 3.38Å; S737-D741 WeakPolarHBondContact CB-OD1 3.38Å; S737-D741 WeakPolarHBondContact CB-OD2 3.36Å; S737-D741 PolarHBondContact O-N 3.44Å
738M88.6Confident91.8Very high0 Ų049.3 Ų49.30%026%0.261CS..THydrogen-bonded Turntrans-58.7120175-90.4-175.266.700111.6V702 M703 K734 E736 L746 K773 W780 F796 L798V702-M738 HydrophobicContact CB-SD 3.71Å; V702-M738 HydrophobicContact CG2-SD 3.82Å; M703-M738 HydrophobicContact CG-CE 4.34Å; M703-M738 HydrophobicContact CG-SD 4.14Å; K734-M738 WeakPolarHBondContact O-CG 3.35Å; K734-M738 PolarHBondContact O-N 2.84Å; E736-M738 VanDerWaalsContact C-N 3.29Å; E736-M738 PolarHBondContact O-N 3.08Å; M738-L746 HydrophobicContact CB-CD2 4.4Å; M738-L746 HydrophobicContact CE-CD1 4Å; M738-L746 HydrophobicContact CE-CD2 4.48Å; M738-L746 HydrophobicContact CG-CD2 4.08Å; M738-K773 PolarHBondContact O-NZ 2.89Å; M738-W780 HydrophobicContact CB-CH2 4.03Å; M738-W780 HydrophobicContact CB-CZ3 4.49Å; M738-W780 HydrophobicContact CE-CH2 4.14Å; M738-W780 HydrophobicContact CE-CZ3 4.14Å; M738-F796 HydrophobicContact CE-CB 3.92Å; M738-F796 WeakPolarHBondContact CE-O 3.4Å; M738-L798 HydrophobicContact CB-CD2 4.5Å; M738-L798 HydrophobicContact CG-CD1 4.2Å; M738-L798 HydrophobicContact CG-CD2 3.65Å; M738-L798 HydrophobicContact CG-CG 3.66Å
739G84.8Confident91.5Very high11 Ų1147.3 Ų47.311%0.11325%0.252CS..THydrogen-bonded Turntrans84.65.2-177.700000114.9S737S737-G739 PolarHBondContact O-N 2.86Å; S737-G739 VanDerWaalsContact O-N 3.16Å
740V87.8Confident91.3Very high95 Ų9545.3 Ų45.358%0.57623%0.234SC*.THydrogen-bonded Turntrans-121.2-53176.3-175.30000110.6S737 G744S737-V740 PolarHBondContact O-N 3.38Å; V740-G744 PolarHBondContact O-N 3.46Å
741D83.9Confident91.1Very high73 Ų7347.2 Ų47.239%0.3925%0.254SS..THydrogen-bonded Turntrans-63.4162.2176.3-76.315.5000111.5K734 S737 N743 G744K734-D741 IonicContact NZ-OD2 2.69Å; S737-D741 WeakPolarHBondContact CB-OD1 3.38Å; S737-D741 WeakPolarHBondContact CB-OD2 3.36Å; S737-D741 PolarHBondContact O-N 3.44Å; D741-N743 VanDerWaalsContact C-N 3.28Å; D741-N743 PolarHBondContact O-N 3.05Å; D741-G744 WeakPolarHBondContact O-CA 3.33Å; D741-G744 PolarHBondContact O-N 2.88Å
742N86.6Confident91Very high101 Ų10148 Ų4854%0.5426%0.257SS..G310 helixtrans53.540.8177-57.4-37.6000113.5G744 V745N742-G744 PolarHBondContact O-N 2.89Å; N742-V745 WeakPolarHBondContact O-CB 3.31Å; N742-V745 WeakPolarHBondContact O-CG2 3.29Å; N742-V745 PolarHBondContact O-N 3.22Å; N742-V745 VanDerWaalsContact O-N 3.11Å
743N86.3Confident90.9Very high151 Ų15150.5 Ų50.581%0.80727%0.273SS*.G310 helixtrans5733.1-174.1-54-18.1000113.3D741 V745D741-N743 VanDerWaalsContact C-N 3.28Å; D741-N743 PolarHBondContact O-N 3.05Å; N743-V745 PolarHBondContact O-N 2.94Å
744G90.1Very high90.7Very high3 Ų349.6 Ų49.63%0.03127%0.266CS..G310 helixtrans70.29.9-176.400000114.9V740 D741 N742 L746 I770V740-G744 PolarHBondContact O-N 3.46Å; D741-G744 WeakPolarHBondContact O-CA 3.33Å; D741-G744 PolarHBondContact O-N 2.88Å; N742-G744 PolarHBondContact O-N 2.89Å; G744-L746 PolarHBondContact O-N 3.19Å; G744-I770 PolarHBondContact O-N 3.44Å
745V92.9Very high90.6Very high36 Ų3653 Ų5322%0.21828%0.282CS..EExtended strand (participates in β ladder)trans-76.8122.7-178.8-179.90000110.8N742 N743 M767N742-V745 WeakPolarHBondContact O-CB 3.31Å; N742-V745 WeakPolarHBondContact O-CG2 3.29Å; N742-V745 PolarHBondContact O-N 3.22Å; N742-V745 VanDerWaalsContact O-N 3.11Å; N743-V745 PolarHBondContact O-N 2.94Å; V745-M767 HydrophobicContact CG1-CB 4.34Å
746L94.1Very high90.5Very high1 Ų153.1 Ų53.11%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-121.8162.1172.9-63179.5000110.9M738 G744 V768 I770 W780 F796 L798M738-L746 HydrophobicContact CB-CD2 4.4Å; M738-L746 HydrophobicContact CE-CD1 4Å; M738-L746 HydrophobicContact CE-CD2 4.48Å; M738-L746 HydrophobicContact CG-CD2 4.08Å; G744-L746 PolarHBondContact O-N 3.19Å; L746-V768 PolarHBondContact N-O 3.14Å; L746-V768 PolarHBondContact O-N 3.48Å; L746-I770 HydrophobicContact CD1-CD1 4.11Å; L746-I770 HydrophobicContact CD1-CG1 3.68Å; L746-I770 HydrophobicContact CG-CG1 4.2Å; L746-W780 HydrophobicContact CD1-CE3 4.26Å; L746-W780 HydrophobicContact CD1-CZ3 3.65Å; L746-F796 HydrophobicContact CB-CB 4.15Å; L746-F796 HydrophobicContact CB-CD1 4.03Å; L746-F796 HydrophobicContact CB-CG 4.35Å; L746-F796 HydrophobicContact CD1-CB 3.98Å; L746-F796 HydrophobicContact CD1-CG 4.38Å; L746-L798 HydrophobicContact CD2-CD2 3.86Å
747Y93.5Very high90.4Very high62 Ų6253.9 Ų53.924%0.24330%0.304CS..EExtended strand (participates in β ladder)trans-108.6128.8177.3-62.2-93.9000110.1L749 M767 F796 G797 L798 P800Y747-L749 PolarHBondContact O-N 2.93Å; Y747-M767 HydrophobicContact CD1-CG 3.8Å; Y747-M767 HydrophobicContact CE1-CG 3.5Å; Y747-M767 VanDerWaalsContact CE1-CG 3.5Å; Y747-M767 HydrophobicContact CE1-SD 3.94Å; Y747-F796 WeakPolarHBondContact O-CA 3.34Å; Y747-G797 PolarHBondContact N-O 3.27Å; Y747-G797 PolarHBondContact O-N 3.18Å; Y747-L798 WeakPolarHBondContact CD2-O 3.34Å; Y747-L798 WeakPolarHBondContact CE2-O 3.26Å; Y747-P800 HydrophobicContact CD1-CB 3.7Å; Y747-P800 HydrophobicContact CD1-CG 3.95Å; Y747-P800 HydrophobicContact CE1-CB 4.26Å; Y747-P800 HydrophobicContact CE1-CG 4.02Å; Y747-P800 HydrophobicContact CG-CB 3.97Å; Y747-P800 HydrophobicContact CG-CG 4.29Å
748A93.7Very high90.5Very high2 Ų256.7 Ų56.72%0.01732%0.318CS..EExtended strand (participates in β ladder)trans-6711917300000110.3F762 K763 G765 D766 F796A748-F762 HydrophobicContact CB-CD2 3.43Å; A748-F762 VanDerWaalsContact CB-CD2 3.43Å; A748-F762 HydrophobicContact CB-CE2 3.85Å; A748-F762 HydrophobicContact CB-CG 4.25Å; A748-K763 VanDerWaalsContact CB-O 3.22Å; A748-K763 WeakPolarHBondContact CB-O 3.49Å; A748-G765 PolarHBondContact O-N 3.5Å; A748-D766 HydrophobicContact CB-CB 4.39Å; A748-D766 PolarHBondContact N-O 2.91Å; A748-F796 HydrophobicContact CB-CD1 4.38Å; A748-F796 HydrophobicContact CB-CE1 3.98Å
749L92.3Very high90.8Very high1 Ų158 Ų581%0.00533%0.325CS..SBendtrans-89.2-10.2180-58.5178.5000112.6A701 Y747 L795 F796 K801A701-L749 VanDerWaalsContact CA-CD1 3.46Å; A701-L749 HydrophobicContact CB-CD1 3.59Å; Y747-L749 PolarHBondContact O-N 2.93Å; L749-L795 WeakPolarHBondContact CB-O 3.49Å; L749-L795 PolarHBondContact N-O 3Å; L749-F796 VanDerWaalsContact CD1-C 3.49Å; L749-F796 WeakPolarHBondContact CD1-O 3.49Å; L749-K801 HydrophobicContact CD2-CG 4.01Å; L749-K801 VanDerWaalsContact O-CE 3.25Å; L749-K801 WeakPolarHBondContact O-CE 3.45Å; L749-K801 PolarHBondContact O-NZ 3.17Å
750W91.8Very high91.2Very high24 Ų2457.9 Ų57.99%0.09132%0.321CS..SBendtrans-140.7162.5172.9-69.1-91.9000110.5M360 P361 A701 F762 L795M360-W750 HydrophobicContact CE-CH2 3.34Å; M360-W750 HydrophobicContact CE-CZ2 4.24Å; M360-W750 HydrophobicContact CE-CZ3 3.77Å; M360-W750 HydrophobicContact SD-CH2 3.81Å; M360-W750 HydrophobicContact SD-CZ2 4.14Å; P361-W750 HydrophobicContact CG-CB 4.2Å; P361-W750 HydrophobicContact CG-CD2 4.25Å; P361-W750 HydrophobicContact CG-CG 3.75Å; A701-W750 HydrophobicContact CB-CH2 3.77Å; A701-W750 HydrophobicContact CB-CZ3 3.86Å; W750-F762 WeakPolarHBondContact O-CD2 3.09Å; W750-F762 WeakPolarHBondContact O-CE2 3.35Å; W750-L795 HydrophobicContact CD2-CD2 4.26Å; W750-L795 HydrophobicContact CE3-CB 4.22Å; W750-L795 HydrophobicContact CE3-CD2 3.8Å; W750-L795 HydrophobicContact CZ3-CD2 4.39Å
751S92.9Very high91.5Very high85 Ų8555.9 Ų55.959%0.59431%0.311SS*.  trans-78.1129.5164.858.70000111.1F762S751-F762 CarbonylContact C-O 3.51Å; S751-F762 WeakPolarHBondContact CA-O 3.43Å
752Y93.6Very high91.9Very high16 Ų1652.7 Ų52.76%0.06329%0.294CS..BIsolated β-bridgetrans-121.7130.4175.2-178.6-103.6000110.8L358 E759 S761 F762 L795L358-Y752 HydrophobicContact CD1-CE2 4.24Å; L358-Y752 HydrophobicContact CD2-CE2 4.11Å; Y752-E759 HydrophobicContact CE1-CB 4.45Å; Y752-E759 PolarHBondContact OH-OE2 3.17Å; Y752-S761 WeakPolarHBondContact O-CA 3.32Å; Y752-F762 VanDerWaalsContact CB-CE2 3.46Å; Y752-F762 HydrophobicContact CD1-CD1 4.36Å; Y752-F762 AromaticContact CD1-CE1 3.84Å; Y752-F762 HydrophobicContact CD1-CE1 3.84Å; Y752-F762 HydrophobicContact CD1-CZ 4.26Å; Y752-F762 HydrophobicContact CG-CE1 4.04Å; Y752-F762 AromaticContact CG-CZ 3.98Å; Y752-F762 HydrophobicContact CG-CZ 3.98Å; Y752-F762 PolarHBondContact N-O 3.35Å; Y752-F762 PolarHBondContact O-N 3.11Å; Y752-F762 VanDerWaalsContact O-O 3.09Å; Y752-L795 HydrophobicContact CD2-CD1 3.83Å; Y752-L795 HydrophobicContact CG-CD1 4.17Å
753Q93.4Very high92.3Very high145 Ų14554.7 Ų54.768%0.67830%0.298SS*.  trans-105.4117.5174.6-178.856.667.300108.6Q755Q753-Q755 PolarHBondContact O-N 3.18Å
754A91.9Very high92.5Very high27 Ų2752.8 Ų52.822%0.22328%0.284CS..  trans-52.9131.5175.800000111.4E759A754-E759 HydrophobicContact CB-CB 3.81Å; A754-E759 VanDerWaalsContact CB-O 3.27Å; A754-E759 WeakPolarHBondContact CB-O 3.48Å
755Q91.1Very high92.5Very high115 Ų11554.2 Ų54.254%0.53730%0.298SS..SBendtrans-98-33.5176.5-50.918022.500110.8Q753 E759Q753-Q755 PolarHBondContact O-N 3.18Å; Q755-E759 VanDerWaalsContact CA-OE2 3.32Å; Q755-E759 WeakPolarHBondContact CA-OE2 3.42Å; Q755-E759 WeakPolarHBondContact CB-OE2 3.26Å; Q755-E759 PolarHBondContact N-OE2 3.08Å
756A90.7Very high92.6Very high31 Ų3154.9 Ų54.926%0.25630%0.301SS..SBendtrans-108.2157.3176.500000111.5D758 E759A756-D758 VanDerWaalsContact CB-OD1 3.29Å; A756-D758 WeakPolarHBondContact CB-OD1 3.41Å; A756-D758 PolarHBondContact O-N 3.38Å; A756-E759 HydrophobicContact CB-CB 4.46Å; A756-E759 HydrophobicContact CB-CG 3.9Å; A756-E759 PolarHBondContact N-OE2 2.95Å; A756-E759 PolarHBondContact O-N 3.17Å
757P88.8Confident92.6Very high142 Ų14260.5 Ų60.592%0.92233%0.328SS*.THydrogen-bonded Turntrans-73.7-15.6-176.731.9-36.7000114
758D92.4Very high92.6Very high70 Ų7057.5 Ų57.537%0.37432%0.317SS..THydrogen-bonded Turntrans-97.4-2.3176.654.5-48.4000113.1A756 G789 F790A756-D758 VanDerWaalsContact CB-OD1 3.29Å; A756-D758 WeakPolarHBondContact CB-OD1 3.41Å; A756-D758 PolarHBondContact O-N 3.38Å; D758-G789 CarbonylContact O-C 3.49Å; D758-G789 WeakPolarHBondContact O-CA 3.41Å; D758-F790 PolarHBondContact O-N 2.81Å
759E93.9Very high92.6Very high28 Ų2859.8 Ų59.813%0.13133%0.331CS..BIsolated β-bridgetrans-89.9145.8171.8-72.5167.2178.200111.5Y752 A754 Q755 A756 W779 F790Y752-E759 HydrophobicContact CE1-CB 4.45Å; Y752-E759 PolarHBondContact OH-OE2 3.17Å; A754-E759 HydrophobicContact CB-CB 3.81Å; A754-E759 VanDerWaalsContact CB-O 3.27Å; A754-E759 WeakPolarHBondContact CB-O 3.48Å; Q755-E759 VanDerWaalsContact CA-OE2 3.32Å; Q755-E759 WeakPolarHBondContact CA-OE2 3.42Å; Q755-E759 WeakPolarHBondContact CB-OE2 3.26Å; Q755-E759 PolarHBondContact N-OE2 3.08Å; A756-E759 HydrophobicContact CB-CB 4.46Å; A756-E759 HydrophobicContact CB-CG 3.9Å; A756-E759 PolarHBondContact N-OE2 2.95Å; A756-E759 PolarHBondContact O-N 3.17Å; E759-W779 HydrophobicContact CG-CH2 4.2Å; E759-W779 HydrophobicContact CG-CZ3 3.92Å; E759-W779 WeakPolarHBondContact OE1-CH2 3.36Å; E759-F790 WeakPolarHBondContact CA-O 3.37Å
760L93.2Very high92.7Very high8 Ų860.3 Ų60.34%0.04233%0.333CS..PPolyproline II helixtrans-99.6121-177.7-178.263.5000111.4F762 L784 K787 F790 V791L760-F762 VanDerWaalsContact O-CD1 3.24Å; L760-F762 WeakPolarHBondContact O-CD1 3.37Å; L760-L784 HydrophobicContact CD1-CB 4.25Å; L760-L784 HydrophobicContact CD2-CB 3.78Å; L760-L784 HydrophobicContact CG-CB 4.28Å; L760-K787 HydrophobicContact CD1-CB 3.89Å; L760-F790 PolarHBondContact N-O 3.5Å; L760-V791 HydrophobicContact CB-CG1 3.72Å; L760-V791 HydrophobicContact CD2-CG1 3.91Å; L760-V791 HydrophobicContact CG-CG1 4.23Å
761S93.6Very high92.7Very high52 Ų5263.4 Ų63.436%0.36435%0.351SS..PPolyproline II helixtrans-81.8131.517663.60000112.2Y752Y752-S761 WeakPolarHBondContact O-CA 3.32Å
762F94Very high92.6Very high6 Ų665 Ų653%0.02635%0.349CS..BIsolated β-bridgetrans-142.8166.1-177.755-100000112.6A748 W750 S751 Y752 L760 D766 V768 L784 V791 P792 L795 F796A748-F762 HydrophobicContact CB-CD2 3.43Å; A748-F762 VanDerWaalsContact CB-CD2 3.43Å; A748-F762 HydrophobicContact CB-CE2 3.85Å; A748-F762 HydrophobicContact CB-CG 4.25Å; W750-F762 WeakPolarHBondContact O-CD2 3.09Å; W750-F762 WeakPolarHBondContact O-CE2 3.35Å; S751-F762 CarbonylContact C-O 3.51Å; S751-F762 WeakPolarHBondContact CA-O 3.43Å; Y752-F762 VanDerWaalsContact CB-CE2 3.46Å; Y752-F762 HydrophobicContact CD1-CD1 4.36Å; Y752-F762 AromaticContact CD1-CE1 3.84Å; Y752-F762 HydrophobicContact CD1-CE1 3.84Å; Y752-F762 HydrophobicContact CD1-CZ 4.26Å; Y752-F762 HydrophobicContact CG-CE1 4.04Å; Y752-F762 AromaticContact CG-CZ 3.98Å; Y752-F762 HydrophobicContact CG-CZ 3.98Å; Y752-F762 PolarHBondContact N-O 3.35Å; Y752-F762 PolarHBondContact O-N 3.11Å; Y752-F762 VanDerWaalsContact O-O 3.09Å; L760-F762 VanDerWaalsContact O-CD1 3.24Å; L760-F762 WeakPolarHBondContact O-CD1 3.37Å; F762-D766 HydrophobicContact CB-CB 4.49Å; F762-V768 HydrophobicContact CB-CG2 4.46Å; F762-L784 HydrophobicContact CB-CD2 3.86Å; F762-V791 HydrophobicContact CD1-CG1 4.04Å; F762-V791 HydrophobicContact CE1-CB 4Å; F762-V791 HydrophobicContact CE1-CG1 3.81Å; F762-P792 HydrophobicContact CZ-CG 4.48Å; F762-L795 HydrophobicContact CE2-CB 4.24Å; F762-L795 HydrophobicContact CE2-CD1 4.4Å; F762-L795 HydrophobicContact CZ-CB 4.1Å; F762-L795 HydrophobicContact CZ-CD1 4.1Å; F762-F796 HydrophobicContact CD1-CZ 4.08Å; F762-F796 HydrophobicContact CD2-CZ 4.48Å; F762-F796 HydrophobicContact CE1-CE2 4.09Å; F762-F796 AromaticContact CE1-CZ 3.56Å; F762-F796 HydrophobicContact CE1-CZ 3.56Å; F762-F796 HydrophobicContact CE2-CE1 4.41Å; F762-F796 AromaticContact CE2-CZ 3.98Å; F762-F796 HydrophobicContact CE2-CZ 3.98Å; F762-F796 HydrophobicContact CZ-CE1 4.33Å; F762-F796 AromaticContact CZ-CE2 3.81Å; F762-F796 HydrophobicContact CZ-CE2 3.81Å; F762-F796 AromaticContact CZ-CZ 3.48Å; F762-F796 HydrophobicContact CZ-CZ 3.48Å; F762-F796 VanDerWaalsContact CZ-CZ 3.48Å
763K93.4Very high92.2Very high144 Ų14467.2 Ų67.263%0.62636%0.359SS*.  trans-117158179.2-65177.4-177.8174.50111.7A748 G765 D766A748-K763 VanDerWaalsContact CB-O 3.22Å; A748-K763 WeakPolarHBondContact CB-O 3.49Å; K763-G765 PolarHBondContact O-N 3.05Å; K763-D766 WeakPolarHBondContact CB-OD2 3.12Å; K763-D766 PolarHBondContact N-OD2 3.46Å; K763-D766 WeakPolarHBondContact O-CB 3.44Å; K763-D766 PolarHBondContact O-N 3.14Å
764E91.6Very high91.6Very high111 Ų11162.4 Ų62.452%0.51934%0.34SS..THydrogen-bonded Turntrans-57.8120.4173-177.8171.9-158.400110.8K801E764-K801 HydrophobicContact CG-CD 4.44Å; E764-K801 WeakPolarHBondContact OE1-CD 3.47Å; E764-K801 WeakPolarHBondContact OE1-CE 3.37Å; E764-K801 IonicContact OE1-NZ 2.69Å; E764-K801 PolarHBondContact OE1-NZ 3.38Å
765G90.5Very high90.8Very high32 Ų3268.3 Ų68.333%0.3337%0.367SS..THydrogen-bonded Turntrans93.6-2.2-174.800000115.9A748 K763A748-G765 PolarHBondContact O-N 3.5Å; K763-G765 PolarHBondContact O-N 3.05Å
766D94Very high89.8Confident51 Ų5167.2 Ų67.227%0.27339%0.387SS..  trans-69141.4172.4-72.5-13.8000110.8A748 F762 K763 L784A748-D766 HydrophobicContact CB-CB 4.39Å; A748-D766 PolarHBondContact N-O 2.91Å; F762-D766 HydrophobicContact CB-CB 4.49Å; K763-D766 WeakPolarHBondContact CB-OD2 3.12Å; K763-D766 PolarHBondContact N-OD2 3.46Å; K763-D766 WeakPolarHBondContact O-CB 3.44Å; K763-D766 PolarHBondContact O-N 3.14Å; D766-L784 HydrophobicContact CB-CD1 4.25Å; D766-L784 HydrophobicContact CB-CD2 4.44Å
767M93.4Very high89.4Confident118 Ų11868.3 Ų68.358%0.58139%0.393SS*.EExtended strand (participates in β ladder)trans-90.7120.2173.7-66.4-179.8-63.100109.6V745 Y747 L784V745-M767 HydrophobicContact CG1-CB 4.34Å; Y747-M767 HydrophobicContact CD1-CG 3.8Å; Y747-M767 HydrophobicContact CE1-CG 3.5Å; Y747-M767 VanDerWaalsContact CE1-CG 3.5Å; Y747-M767 HydrophobicContact CE1-SD 3.94Å; M767-L784 WeakPolarHBondContact O-CD1 3.41Å
768V94Very high89.2Confident0 Ų065.1 Ų65.10%037%0.368CS..EExtended strand (participates in β ladder)trans-120.8127-176174.80000108.7L746 F762 A782 L784 F796L746-V768 PolarHBondContact N-O 3.14Å; L746-V768 PolarHBondContact O-N 3.48Å; F762-V768 HydrophobicContact CB-CG2 4.46Å; V768-A782 HydrophobicContact CG1-CB 3.57Å; V768-L784 HydrophobicContact CG2-CB 4.37Å; V768-L784 HydrophobicContact CG2-CD1 4.26Å; V768-L784 HydrophobicContact CG2-CD2 4.42Å; V768-F796 HydrophobicContact CB-CE1 3.72Å; V768-F796 HydrophobicContact CB-CZ 4.35Å; V768-F796 HydrophobicContact CG1-CE1 4.04Å; V768-F796 HydrophobicContact CG1-CZ 4.21Å; V768-F796 HydrophobicContact CG2-CE1 3.79Å; V768-F796 HydrophobicContact CG2-CZ 4.34Å
769T94.5Very high89.1Confident50 Ų5062.6 Ų62.631%0.30735%0.353SS..EExtended strand (participates in β ladder)trans-94.5117.5178.6-60.40000109.5L771 A782 S783T769-L771 HydrophobicContact CG2-CD2 4.38Å; T769-L771 PolarHBondContact O-N 3.46Å; T769-A782 CarbonylContact O-C 3.58Å; T769-A782 VanDerWaalsContact O-CA 3.26Å; T769-A782 WeakPolarHBondContact O-CA 3.45Å; T769-A782 WeakPolarHBondContact O-CB 3.33Å; T769-S783 PolarHBondContact N-O 3.43Å; T769-S783 PolarHBondContact O-N 3.2Å
770I93.9Very high89Confident11 Ų1161.5 Ų61.56%0.05635%0.348CS..EExtended strand (participates in β ladder)trans-70.7127.2171.8-53.4-51.2000108.7G744 L746 W780 A782 V791G744-I770 PolarHBondContact O-N 3.44Å; L746-I770 HydrophobicContact CD1-CD1 4.11Å; L746-I770 HydrophobicContact CD1-CG1 3.68Å; L746-I770 HydrophobicContact CG-CG1 4.2Å; I770-W780 HydrophobicContact CD1-CB 4.34Å; I770-W780 HydrophobicContact CD1-CE3 3.84Å; I770-W780 HydrophobicContact CG1-CE3 4.04Å; I770-W780 HydrophobicContact CG2-CB 4.12Å; I770-A782 HydrophobicContact CD1-CB 3.74Å; I770-V791 HydrophobicContact CD1-CG2 4.07Å
771L91.5Very high89Confident89 Ų8964.5 Ų64.547%0.46636%0.359SS..EExtended strand (participates in β ladder)trans-100.2-35.6177.3-63.8-178.7000111.6T769 W781 E788T769-L771 HydrophobicContact CG2-CD2 4.38Å; T769-L771 PolarHBondContact O-N 3.46Å; L771-W781 PolarHBondContact N-O 3.03Å; L771-E788 VanDerWaalsContact CD1-CD 3.45Å; L771-E788 HydrophobicContact CD1-CG 3.79Å
772Q90.3Very high89.1Confident118 Ų11862 Ų6255%0.55134%0.341SS*.EExtended strand (participates in β ladder)trans-146.6119.5177.5-167.6176.72.900111.3W781Q772-W781 HydrophobicContact CB-CB 4.06Å; Q772-W781 PolarHBondContact N-O 3.34Å; Q772-W781 PolarHBondContact O-N 3.41Å
773K87.1Confident89.1Confident63 Ų6362.8 Ų62.827%0.27435%0.348SS..EExtended strand (participates in β ladder)trans-85.5114.1166.7-165.3167.3-176.4166.60107.1E735 E736 M738 W780E735-K773 PolarHBondContact O-NZ 3.41Å; E736-K773 PolarHBondContact O-NZ 3.01Å; M738-K773 PolarHBondContact O-NZ 2.89Å; K773-W780 HydrophobicContact CD-CZ2 4.39Å; K773-W780 HydrophobicContact CG-CZ2 4.41Å
774T80.4Confident89.1Confident45 Ų4557.1 Ų57.128%0.27632%0.324SS..  trans-91.5112.3174.131.90000109.5S777 W779T774-S777 WeakPolarHBondContact O-CB 3.46Å; T774-S777 PolarHBondContact O-N 3.25Å; T774-S777 VanDerWaalsContact O-N 3.15Å; T774-W779 PolarHBondContact OG1-O 3.19Å
775D73.4Confident89Confident150 Ų15058.1 Ų58.180%0.80234%0.342SS*.THydrogen-bonded Turntrans-57.1137.5-173.4-60.3-42.2000112.3S777D775-S777 PolarHBondContact O-N 2.79Å
776G71.2Confident88.8Confident92 Ų9260 Ų6095%0.94836%0.362SS*.THydrogen-bonded Turntrans67.112-178.400000115.6
777S81.9Confident88.7Confident55 Ų5564.6 Ų64.639%0.38538%0.379SS..  trans-114138.6178.4-55.70000112.4T774 D775 W779T774-S777 WeakPolarHBondContact O-CB 3.46Å; T774-S777 PolarHBondContact O-N 3.25Å; T774-S777 VanDerWaalsContact O-N 3.15Å; D775-S777 PolarHBondContact O-N 2.79Å; S777-W779 PolarHBondContact O-N 3.11Å; S777-W779 VanDerWaalsContact O-N 3.16Å
778D84.7Confident88.8Confident75 Ų7564.4 Ų64.440%0.40138%0.377SS..SBendtrans-70.1-5.8177.5-61.4-31.7000114P792 N793D778-P792 WeakPolarHBondContact O-CA 3.47Å; D778-N793 PolarHBondContact O-N 3.27Å; D778-N793 PolarHBondContact O-OD1 3.17Å
779W90.1Very high88.8Confident17 Ų1764.4 Ų64.46%0.06438%0.377CS..EExtended strand (participates in β ladder)trans-121.2139.4-174.9-62.287.1000110.4I354 L358 E759 T774 S777 F790 V791 P792I354-W779 HydrophobicContact CG2-CZ2 4.11Å; L358-W779 HydrophobicContact CD1-CH2 3.78Å; L358-W779 HydrophobicContact CD1-CZ2 3.8Å; L358-W779 HydrophobicContact CD1-CZ3 4.49Å; E759-W779 HydrophobicContact CG-CH2 4.2Å; E759-W779 HydrophobicContact CG-CZ3 3.92Å; E759-W779 WeakPolarHBondContact OE1-CH2 3.36Å; T774-W779 PolarHBondContact OG1-O 3.19Å; S777-W779 PolarHBondContact O-N 3.11Å; S777-W779 VanDerWaalsContact O-N 3.16Å; W779-F790 HydrophobicContact CB-CD1 4.17Å; W779-F790 HydrophobicContact CE3-CB 3.99Å; W779-V791 WeakPolarHBondContact CA-O 3.42Å; W779-P792 HydrophobicContact CD2-CB 4.47Å; W779-P792 HydrophobicContact CE3-CB 4.13Å; W779-P792 HydrophobicContact CH2-CB 4.49Å; W779-P792 HydrophobicContact CZ3-CB 4.15Å; W779-P792 HydrophobicContact CZ3-CG 4.33Å
780W92.4Very high88.7Confident5 Ų564.8 Ų64.82%0.01938%0.375CS..EExtended strand (participates in β ladder)trans-121.9148.3176.8-58.3-25.6000110M703 M738 L746 I770 K773 F790 V791 N793M703-W780 HydrophobicContact SD-CH2 3.46Å; M703-W780 WeakPolarHBondContact SD-CH2 3.42Å; M703-W780 HydrophobicContact SD-CZ2 3.46Å; M703-W780 WeakPolarHBondContact SD-CZ2 3.44Å; M738-W780 HydrophobicContact CB-CH2 4.03Å; M738-W780 HydrophobicContact CB-CZ3 4.49Å; M738-W780 HydrophobicContact CE-CH2 4.14Å; M738-W780 HydrophobicContact CE-CZ3 4.14Å; L746-W780 HydrophobicContact CD1-CE3 4.26Å; L746-W780 HydrophobicContact CD1-CZ3 3.65Å; I770-W780 HydrophobicContact CD1-CB 4.34Å; I770-W780 HydrophobicContact CD1-CE3 3.84Å; I770-W780 HydrophobicContact CG1-CE3 4.04Å; I770-W780 HydrophobicContact CG2-CB 4.12Å; K773-W780 HydrophobicContact CD-CZ2 4.39Å; K773-W780 HydrophobicContact CG-CZ2 4.41Å; W780-F790 WeakPolarHBondContact O-CA 3.41Å; W780-V791 PolarHBondContact N-O 3.21Å; W780-V791 PolarHBondContact O-N 3.22Å; W780-N793 HydrophobicContact CD2-CB 3.85Å; W780-N793 HydrophobicContact CE3-CB 4.03Å; W780-N793 HydrophobicContact CH2-CB 3.73Å; W780-N793 HydrophobicContact CZ2-CB 3.5Å; W780-N793 VanDerWaalsContact CZ2-CB 3.5Å; W780-N793 HydrophobicContact CZ3-CB 3.96Å
781W93.2Very high88.7Confident70 Ų7064.3 Ų64.327%0.26537%0.372SS..EExtended strand (participates in β ladder)trans-83.1127172.1-167.8-106.4000109.2L771 Q772 E788 G789 F790L771-W781 PolarHBondContact N-O 3.03Å; Q772-W781 HydrophobicContact CB-CB 4.06Å; Q772-W781 PolarHBondContact N-O 3.34Å; Q772-W781 PolarHBondContact O-N 3.41Å; W781-E788 HydrophobicContact CZ2-CB 3.66Å; W781-E788 PolarHBondContact NE1-OE2 3.01Å; W781-G789 VanDerWaalsContact CE3-C 3.47Å; W781-G789 VanDerWaalsContact CZ3-CA 3.5Å; W781-F790 AromaticContact CE3-CD1 3.92Å; W781-F790 HydrophobicContact CE3-CD1 3.92Å; W781-F790 AromaticContact CE3-CD2 3.84Å; W781-F790 HydrophobicContact CE3-CD2 3.84Å; W781-F790 AromaticContact CE3-CE1 3.93Å; W781-F790 HydrophobicContact CE3-CE1 3.93Å; W781-F790 AromaticContact CE3-CE2 3.84Å; W781-F790 HydrophobicContact CE3-CE2 3.84Å; W781-F790 AromaticContact CE3-CG 3.87Å; W781-F790 HydrophobicContact CE3-CG 3.87Å; W781-F790 AromaticContact CE3-CZ 3.88Å; W781-F790 HydrophobicContact CE3-CZ 3.88Å; W781-F790 AromaticContact CZ3-CD2 3.68Å; W781-F790 HydrophobicContact CZ3-CD2 3.68Å; W781-F790 AromaticContact CZ3-CE2 3.74Å; W781-F790 HydrophobicContact CZ3-CE2 3.74Å; W781-F790 HydrophobicContact CZ3-CG 4.12Å; W781-F790 HydrophobicContact CZ3-CZ 4.23Å
782A95.1Very high88.7Confident0 Ų060.1 Ų60.10%035%0.35CS..EExtended strand (participates in β ladder)trans-143.4162.2-172.200000112.9V768 T769 I770 E788 G789 V791V768-A782 HydrophobicContact CG1-CB 3.57Å; T769-A782 CarbonylContact O-C 3.58Å; T769-A782 VanDerWaalsContact O-CA 3.26Å; T769-A782 WeakPolarHBondContact O-CA 3.45Å; T769-A782 WeakPolarHBondContact O-CB 3.33Å; I770-A782 HydrophobicContact CD1-CB 3.74Å; A782-E788 VanDerWaalsContact O-CA 3.26Å; A782-E788 WeakPolarHBondContact O-CA 3.4Å; A782-G789 PolarHBondContact N-O 3.3Å; A782-G789 PolarHBondContact O-N 2.97Å; A782-V791 HydrophobicContact CB-CB 4.5Å; A782-V791 HydrophobicContact CB-CG1 4.12Å; A782-V791 HydrophobicContact CB-CG2 3.56Å
783S94.6Very high88.6Confident23 Ų2355.1 Ų55.116%0.16133%0.327CS..EExtended strand (participates in β ladder)trans-119.7136.9177.9-1600000112.1T769 K787T769-S783 PolarHBondContact N-O 3.43Å; T769-S783 PolarHBondContact O-N 3.2Å; S783-K787 CarbonylContact C-O 3.57Å; S783-K787 VanDerWaalsContact CA-O 3.28Å; S783-K787 WeakPolarHBondContact CA-O 3.38Å; S783-K787 PolarHBondContact OG-O 3.4Å
784L93.3Very high88.7Confident24 Ų2452.3 Ų52.313%0.12632%0.315CS..EExtended strand (participates in β ladder)trans-133.9117.2170.8176.361.3000108.7L760 F762 D766 M767 V768 G786 K787L760-L784 HydrophobicContact CD1-CB 4.25Å; L760-L784 HydrophobicContact CD2-CB 3.78Å; L760-L784 HydrophobicContact CG-CB 4.28Å; F762-L784 HydrophobicContact CB-CD2 3.86Å; D766-L784 HydrophobicContact CB-CD1 4.25Å; D766-L784 HydrophobicContact CB-CD2 4.44Å; M767-L784 WeakPolarHBondContact O-CD1 3.41Å; V768-L784 HydrophobicContact CG2-CB 4.37Å; V768-L784 HydrophobicContact CG2-CD1 4.26Å; V768-L784 HydrophobicContact CG2-CD2 4.42Å; L784-G786 PolarHBondContact O-N 3.43Å; L784-G786 VanDerWaalsContact O-N 3.13Å; L784-K787 PolarHBondContact N-O 3.3Å; L784-K787 PolarHBondContact O-N 3.35Å
785C89.3Confident89.2Confident132 Ų13250.5 Ų50.589%0.89230%0.304SS*.THydrogen-bonded Turntrans52.234.2177.6-60.20000114.6
786G87.4Confident90.1Very high73 Ų7343.3 Ų43.375%0.75327%0.265SS*.THydrogen-bonded Turntrans80.111.5-179.200000115L784L784-G786 PolarHBondContact O-N 3.43Å; L784-G786 VanDerWaalsContact O-N 3.13Å
787K91.6Very high91.1Very high146 Ų14639 Ų3964%0.63522%0.22SC*.EExtended strand (participates in β ladder)trans-102135.5161.7-65-177.3178.9-176.90109.1L760 S783 L784L760-K787 HydrophobicContact CD1-CB 3.89Å; S783-K787 CarbonylContact C-O 3.57Å; S783-K787 VanDerWaalsContact CA-O 3.28Å; S783-K787 WeakPolarHBondContact CA-O 3.38Å; S783-K787 PolarHBondContact OG-O 3.4Å; L784-K787 PolarHBondContact N-O 3.3Å; L784-K787 PolarHBondContact O-N 3.35Å
788E95Very high91.6Very high115 Ų11536.6 Ų36.654%0.53720%0.204SC..EExtended strand (participates in β ladder)trans-108.6152.5174.4-66.7177.8-149.400111.1L771 W781 A782L771-E788 VanDerWaalsContact CD1-CD 3.45Å; L771-E788 HydrophobicContact CD1-CG 3.79Å; W781-E788 HydrophobicContact CZ2-CB 3.66Å; W781-E788 PolarHBondContact NE1-OE2 3.01Å; A782-E788 VanDerWaalsContact O-CA 3.26Å; A782-E788 WeakPolarHBondContact O-CA 3.4Å
789G93.7Very high92Very high0 Ų036.9 Ų36.90%020%0.201CC..EExtended strand (participates in β ladder)trans177.1172.3176.500000112.4D758 W781 A782D758-G789 CarbonylContact O-C 3.49Å; D758-G789 WeakPolarHBondContact O-CA 3.41Å; W781-G789 VanDerWaalsContact CE3-C 3.47Å; W781-G789 VanDerWaalsContact CZ3-CA 3.5Å; A782-G789 PolarHBondContact N-O 3.3Å; A782-G789 PolarHBondContact O-N 2.97Å
790F93.6Very high92Very high58 Ų5838.8 Ų38.825%0.25422%0.216SC..EExtended strand (participates in β ladder)trans-70.7138.1171.2-73.9-68.7000111.4D758 E759 L760 W779 W780 W781D758-F790 PolarHBondContact O-N 2.81Å; E759-F790 WeakPolarHBondContact CA-O 3.37Å; L760-F790 PolarHBondContact N-O 3.5Å; W779-F790 HydrophobicContact CB-CD1 4.17Å; W779-F790 HydrophobicContact CE3-CB 3.99Å; W780-F790 WeakPolarHBondContact O-CA 3.41Å; W781-F790 AromaticContact CE3-CD1 3.92Å; W781-F790 HydrophobicContact CE3-CD1 3.92Å; W781-F790 AromaticContact CE3-CD2 3.84Å; W781-F790 HydrophobicContact CE3-CD2 3.84Å; W781-F790 AromaticContact CE3-CE1 3.93Å; W781-F790 HydrophobicContact CE3-CE1 3.93Å; W781-F790 AromaticContact CE3-CE2 3.84Å; W781-F790 HydrophobicContact CE3-CE2 3.84Å; W781-F790 AromaticContact CE3-CG 3.87Å; W781-F790 HydrophobicContact CE3-CG 3.87Å; W781-F790 AromaticContact CE3-CZ 3.88Å; W781-F790 HydrophobicContact CE3-CZ 3.88Å; W781-F790 AromaticContact CZ3-CD2 3.68Å; W781-F790 HydrophobicContact CZ3-CD2 3.68Å; W781-F790 AromaticContact CZ3-CE2 3.74Å; W781-F790 HydrophobicContact CZ3-CE2 3.74Å; W781-F790 HydrophobicContact CZ3-CG 4.12Å; W781-F790 HydrophobicContact CZ3-CZ 4.23Å
791V92.9Very high91.9Very high0 Ų040.4 Ų40.40%022%0.223CC..EExtended strand (participates in β ladder)trans-130.4145.4171.8-61.40000110.7L760 F762 I770 W779 W780 A782 F796L760-V791 HydrophobicContact CB-CG1 3.72Å; L760-V791 HydrophobicContact CD2-CG1 3.91Å; L760-V791 HydrophobicContact CG-CG1 4.23Å; F762-V791 HydrophobicContact CD1-CG1 4.04Å; F762-V791 HydrophobicContact CE1-CB 4Å; F762-V791 HydrophobicContact CE1-CG1 3.81Å; I770-V791 HydrophobicContact CD1-CG2 4.07Å; W779-V791 WeakPolarHBondContact CA-O 3.42Å; W780-V791 PolarHBondContact N-O 3.21Å; W780-V791 PolarHBondContact O-N 3.22Å; A782-V791 HydrophobicContact CB-CB 4.5Å; A782-V791 HydrophobicContact CB-CG1 4.12Å; A782-V791 HydrophobicContact CB-CG2 3.56Å; V791-F796 HydrophobicContact CB-CE2 3.66Å; V791-F796 HydrophobicContact CB-CZ 3.79Å; V791-F796 HydrophobicContact CG1-CZ 4.18Å; V791-F796 HydrophobicContact CG2-CE2 3.62Å; V791-F796 HydrophobicContact CG2-CZ 3.86Å
792P91.4Very high91.6Very high2 Ų238.9 Ų38.91%0.01322%0.221CC..EExtended strand (participates in β ladder)trans-83.1129.9-179.233.3-35.4000111.7L358 F762 D778 W779 N794 L795 F796L358-P792 HydrophobicContact CD1-CB 3.33Å; L358-P792 HydrophobicContact CD1-CG 3.63Å; F762-P792 HydrophobicContact CZ-CG 4.48Å; D778-P792 WeakPolarHBondContact O-CA 3.47Å; W779-P792 HydrophobicContact CD2-CB 4.47Å; W779-P792 HydrophobicContact CE3-CB 4.13Å; W779-P792 HydrophobicContact CH2-CB 4.49Å; W779-P792 HydrophobicContact CZ3-CB 4.15Å; W779-P792 HydrophobicContact CZ3-CG 4.33Å; P792-N794 VanDerWaalsContact C-N 3.31Å; P792-N794 PolarHBondContact O-N 3.26Å; P792-L795 HydrophobicContact CG-CB 4.38Å; P792-L795 HydrophobicContact CG-CD1 3.7Å; P792-L795 HydrophobicContact CG-CG 3.89Å; P792-L795 PolarHBondContact O-N 3.3Å; P792-F796 WeakPolarHBondContact O-CD2 3.49Å; P792-F796 VanDerWaalsContact O-CE2 3.22Å; P792-F796 WeakPolarHBondContact O-CE2 3.38Å
793N88.8Confident90.7Very high13 Ų1348.8 Ų48.87%0.0726%0.259CS..G310 helixtrans-58.2-37.1-171.862.81.7000114.2M703 D778 W780 L795 F796M703-N793 WeakPolarHBondContact CE-ND2 3.44Å; M703-N793 HydrophobicContact SD-CB 3.93Å; D778-N793 PolarHBondContact O-N 3.27Å; D778-N793 PolarHBondContact O-OD1 3.17Å; W780-N793 HydrophobicContact CD2-CB 3.85Å; W780-N793 HydrophobicContact CE3-CB 4.03Å; W780-N793 HydrophobicContact CH2-CB 3.73Å; W780-N793 HydrophobicContact CZ2-CB 3.5Å; W780-N793 VanDerWaalsContact CZ2-CB 3.5Å; W780-N793 HydrophobicContact CZ3-CB 3.96Å; N793-L795 VanDerWaalsContact C-N 3.26Å; N793-L795 PolarHBondContact O-N 2.97Å; N793-F796 PolarHBondContact O-N 3.29Å
794N89.8Confident89.4Confident4 Ų452.1 Ų52.12%0.02128%0.28CS..G310 helixtrans-73.6-9.4-172.971.1-15.9000115.1L358 M360 M703 F705 P792L358-N794 PolarHBondContact O-ND2 3.16Å; M360-N794 WeakPolarHBondContact CE-O 3.46Å; M703-N794 WeakPolarHBondContact O-CB 3.46Å; F705-N794 WeakPolarHBondContact CE1-ND2 3.41Å; P792-N794 VanDerWaalsContact C-N 3.31Å; P792-N794 PolarHBondContact O-N 3.26Å
795L90.3Very high87.8Confident6 Ų657.6 Ų57.63%0.03130%0.302CS..G310 helixtrans-93.14.8177.9-58-170.2000113.8P361 L749 W750 Y752 F762 P792 N793P361-L795 HydrophobicContact CG-CD2 4.29Å; L749-L795 WeakPolarHBondContact CB-O 3.49Å; L749-L795 PolarHBondContact N-O 3Å; W750-L795 HydrophobicContact CD2-CD2 4.26Å; W750-L795 HydrophobicContact CE3-CB 4.22Å; W750-L795 HydrophobicContact CE3-CD2 3.8Å; W750-L795 HydrophobicContact CZ3-CD2 4.39Å; Y752-L795 HydrophobicContact CD2-CD1 3.83Å; Y752-L795 HydrophobicContact CG-CD1 4.17Å; F762-L795 HydrophobicContact CE2-CB 4.24Å; F762-L795 HydrophobicContact CE2-CD1 4.4Å; F762-L795 HydrophobicContact CZ-CB 4.1Å; F762-L795 HydrophobicContact CZ-CD1 4.1Å; P792-L795 HydrophobicContact CG-CB 4.38Å; P792-L795 HydrophobicContact CG-CD1 3.7Å; P792-L795 HydrophobicContact CG-CG 3.89Å; P792-L795 PolarHBondContact O-N 3.3Å; N793-L795 VanDerWaalsContact C-N 3.26Å; N793-L795 PolarHBondContact O-N 2.97Å
796F92.3Very high86Confident0 Ų055.8 Ų55.80%029%0.292CS..EExtended strand (participates in β ladder)trans-113.8157.5-176.3-66.2-81.8000114M738 L746 Y747 A748 L749 F762 V768 V791 P792 N793M738-F796 HydrophobicContact CE-CB 3.92Å; M738-F796 WeakPolarHBondContact CE-O 3.4Å; L746-F796 HydrophobicContact CB-CB 4.15Å; L746-F796 HydrophobicContact CB-CD1 4.03Å; L746-F796 HydrophobicContact CB-CG 4.35Å; L746-F796 HydrophobicContact CD1-CB 3.98Å; L746-F796 HydrophobicContact CD1-CG 4.38Å; Y747-F796 WeakPolarHBondContact O-CA 3.34Å; A748-F796 HydrophobicContact CB-CD1 4.38Å; A748-F796 HydrophobicContact CB-CE1 3.98Å; L749-F796 VanDerWaalsContact CD1-C 3.49Å; L749-F796 WeakPolarHBondContact CD1-O 3.49Å; F762-F796 HydrophobicContact CD1-CZ 4.08Å; F762-F796 HydrophobicContact CD2-CZ 4.48Å; F762-F796 HydrophobicContact CE1-CE2 4.09Å; F762-F796 AromaticContact CE1-CZ 3.56Å; F762-F796 HydrophobicContact CE1-CZ 3.56Å; F762-F796 HydrophobicContact CE2-CE1 4.41Å; F762-F796 AromaticContact CE2-CZ 3.98Å; F762-F796 HydrophobicContact CE2-CZ 3.98Å; F762-F796 HydrophobicContact CZ-CE1 4.33Å; F762-F796 AromaticContact CZ-CE2 3.81Å; F762-F796 HydrophobicContact CZ-CE2 3.81Å; F762-F796 AromaticContact CZ-CZ 3.48Å; F762-F796 HydrophobicContact CZ-CZ 3.48Å; F762-F796 VanDerWaalsContact CZ-CZ 3.48Å; V768-F796 HydrophobicContact CB-CE1 3.72Å; V768-F796 HydrophobicContact CB-CZ 4.35Å; V768-F796 HydrophobicContact CG1-CE1 4.04Å; V768-F796 HydrophobicContact CG1-CZ 4.21Å; V768-F796 HydrophobicContact CG2-CE1 3.79Å; V768-F796 HydrophobicContact CG2-CZ 4.34Å; V791-F796 HydrophobicContact CB-CE2 3.66Å; V791-F796 HydrophobicContact CB-CZ 3.79Å; V791-F796 HydrophobicContact CG1-CZ 4.18Å; V791-F796 HydrophobicContact CG2-CE2 3.62Å; V791-F796 HydrophobicContact CG2-CZ 3.86Å; P792-F796 WeakPolarHBondContact O-CD2 3.49Å; P792-F796 VanDerWaalsContact O-CE2 3.22Å; P792-F796 WeakPolarHBondContact O-CE2 3.38Å; N793-F796 PolarHBondContact O-N 3.29Å
797G92.3Very high84.2Confident0 Ų058 Ų580%029%0.285CS..EExtended strand (participates in β ladder)trans-137.2159.7169.400000111.2Y747 F799Y747-G797 PolarHBondContact N-O 3.27Å; Y747-G797 PolarHBondContact O-N 3.18Å; G797-F799 PolarHBondContact O-N 2.96Å
798L92.3Very high81.2Confident6 Ų659.5 Ų59.53%0.03131%0.312CS..SBendtrans-67-21.4174.8-69.1164000112.7V696 V702 K734 M738 L746 Y747V696-L798 HydrophobicContact CG1-CD1 4.05Å; V702-L798 HydrophobicContact CG2-CD1 4.48Å; K734-L798 HydrophobicContact CB-CD1 4.05Å; K734-L798 HydrophobicContact CD-CD1 3.47Å; K734-L798 VanDerWaalsContact CD-CD1 3.47Å; K734-L798 HydrophobicContact CG-CD1 4.2Å; M738-L798 HydrophobicContact CB-CD2 4.5Å; M738-L798 HydrophobicContact CG-CD1 4.2Å; M738-L798 HydrophobicContact CG-CD2 3.65Å; M738-L798 HydrophobicContact CG-CG 3.66Å; L746-L798 HydrophobicContact CD2-CD2 3.86Å; Y747-L798 WeakPolarHBondContact CD2-O 3.34Å; Y747-L798 WeakPolarHBondContact CE2-O 3.26Å
799F92Very high80.5Confident80 Ų8056.7 Ų56.735%0.35130%0.301SS..SBendtrans-135.9151.9-178.8-61.5-84.8000110.1V696 R697 G699 G797V696-F799 HydrophobicContact CG1-CD2 4.23Å; V696-F799 HydrophobicContact CG1-CE2 4.32Å; V696-F799 WeakPolarHBondContact O-CD2 3.3Å; R697-F799 HydrophobicContact CG-CE2 4.39Å; R697-F799 WeakPolarHBondContact O-CB 3.46Å; G699-F799 WeakPolarHBondContact CA-O 3.37Å; G797-F799 PolarHBondContact O-N 2.96Å
800P91.2Very high79.8Confident57 Ų5759.7 Ų59.737%0.3732%0.317SS..PPolyproline II helixtrans-72.5152.7175.430.9-33.7000111Y747Y747-P800 HydrophobicContact CD1-CB 3.7Å; Y747-P800 HydrophobicContact CD1-CG 3.95Å; Y747-P800 HydrophobicContact CE1-CB 4.26Å; Y747-P800 HydrophobicContact CE1-CG 4.02Å; Y747-P800 HydrophobicContact CG-CB 3.97Å; Y747-P800 HydrophobicContact CG-CG 4.29Å
801K89.6Confident79.1Confident39 Ų3959.8 Ų59.817%0.1732%0.32CS..PPolyproline II helixtrans-58.1142.3171-75.9170.8169173.50112L749 E764 R803L749-K801 HydrophobicContact CD2-CG 4.01Å; L749-K801 VanDerWaalsContact O-CE 3.25Å; L749-K801 WeakPolarHBondContact O-CE 3.45Å; L749-K801 PolarHBondContact O-NZ 3.17Å; E764-K801 HydrophobicContact CG-CD 4.44Å; E764-K801 WeakPolarHBondContact OE1-CD 3.47Å; E764-K801 WeakPolarHBondContact OE1-CE 3.37Å; E764-K801 IonicContact OE1-NZ 2.69Å; E764-K801 PolarHBondContact OE1-NZ 3.38Å; K801-R803 PolarHBondContact O-N 3.23Å
802V86.8Confident78.2Confident38 Ų3863.3 Ų63.323%0.2334%0.339CS..PPolyproline II helixtrans-60117.5166.8-177.30000109.7V663 N698V663-V802 HydrophobicContact CG1-CG2 3.95Å; V663-V802 WeakPolarHBondContact O-CG1 3.37Å; N698-V802 HydrophobicContact CB-CG2 3.78Å; N698-V802 PolarHBondContact O-N 3Å; N698-V802 WeakPolarHBondContact OD1-CG2 3.42Å
803R76Confident77.4Confident208 Ų20867.1 Ų67.179%0.78536%0.36SS*.PPolyproline II helixtrans-69.2136.7173-67.5-178.4-180161.62.5109.6K801 K805K801-R803 PolarHBondContact O-N 3.23Å; R803-K805 PolarHBondContact O-N 3.16Å; R803-K805 VanDerWaalsContact O-N 3.15Å
804P67.8Low76.7Confident93 Ų9370.7 Ų70.760%0.60438%0.379SS*.PPolyproline II helixtrans-61.3119.8-178.324.2-34000111.2I665 S806I665-P804 WeakPolarHBondContact O-CA 3.48Å; I665-P804 WeakPolarHBondContact O-CB 3.24Å; P804-S806 PolarHBondContact O-N 2.92Å
805K59.9Low75.7Confident139 Ų13975.5 Ų75.560%0.60440%0.404SS*.  trans-70.7111.3169.9-68.6178.2-176.2171.80107.4R803 L807R803-K805 PolarHBondContact O-N 3.16Å; R803-K805 VanDerWaalsContact O-N 3.15Å; K805-L807 PolarHBondContact O-N 3.35Å
806S51.8Low74.6Confident95 Ų9580.8 Ų80.866%0.66443%0.433SS*.  trans-55.2122.9175.152.70000110P804 C808P804-S806 PolarHBondContact O-N 2.92Å; S806-C808 VanDerWaalsContact C-N 3.26Å; S806-C808 PolarHBondContact O-N 3.27Å; S806-C808 PolarHBondContact OG-SG 3.32Å
807L48.2Very low73.1Confident118 Ų11887.6 Ų87.662%0.61847%0.469SS*.  trans-73.680177.8-65.5173000110.1V630 I665 K805V630-L807 HydrophobicContact CG1-CD1 4.05Å; I665-L807 HydrophobicContact CG1-CD2 4.47Å; I665-L807 HydrophobicContact CG2-CD1 4.3Å; I665-L807 HydrophobicContact CG2-CG 4.49Å; K805-L807 PolarHBondContact O-N 3.35Å
808C29.6Very low71.4Confident178 Ų17895.5 Ų95.5100%1.20351%0.512SS*.  trans-80.60176.1-61.90000112.1S806S806-C808 VanDerWaalsContact C-N 3.26Å; S806-C808 PolarHBondContact O-N 3.27Å; S806-C808 PolarHBondContact OG-SG 3.32Å

Retrieved 808 of 808 residues in 164.1 ms (Link to these results)