A0A096MLC6_PAPAN Loading...

Complexin-1

AlphaFold DB (Q4R4N1), UniProt , Accession A0A096MLC6, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 134 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
1M63.5Low71.1Confident197 Ų197118.5 Ų118.597%0.9763%0.627SS**  0-280-72.5179.2-164.600113F3 V4 M5M1-F3 PolarHBondContact O-N 3.4Å; M1-V4 PolarHBondContact O-N 3.28Å; M1-M5 PolarHBondContact O-N 3.26Å
2E66.8Low70.1Confident172 Ų172114.1 Ų114.180%0.80462%0.62SS**Hα-helixtrans-54.4-41.1178-112.9-176.3158.500115.2V4 M5 K6E2-V4 PolarHBondContact O-N 3.02Å; E2-M5 PolarHBondContact O-N 3.42Å; E2-K6 VanDerWaalsContact O-CB 3.29Å; E2-K6 WeakPolarHBondContact O-CB 3.46Å; E2-K6 PolarHBondContact O-N 3.46Å
3F82.2Confident69.2Low162 Ų162113 Ų11371%0.71162%0.619SS**Hα-helixtrans-61.8-42.6-179.1178.4-97.5000112.9M1 K6 Q7M1-F3 PolarHBondContact O-N 3.4Å; F3-K6 PolarHBondContact O-N 3.27Å; F3-Q7 WeakPolarHBondContact O-CB 3.15Å; F3-Q7 PolarHBondContact O-N 2.81Å
4V76.7Confident68.6Low97 Ų97116.9 Ų116.959%0.58863%0.627SS**Hα-helixtrans-69.2-42.2179.3-179.30000110.5M1 E2 Q7 A8M1-V4 PolarHBondContact O-N 3.28Å; E2-V4 PolarHBondContact O-N 3.02Å; V4-Q7 PolarHBondContact O-N 2.84Å; V4-A8 WeakPolarHBondContact O-CB 3.25Å; V4-A8 PolarHBondContact O-N 2.74Å
5M74.5Confident68.1Low121 Ų121116.9 Ų116.960%0.59663%0.627SS**Hα-helixtrans-65.1-40175.7-70.7-177.8-176.500112M1 E2 A8 L9M1-M5 PolarHBondContact O-N 3.26Å; E2-M5 PolarHBondContact O-N 3.42Å; M5-A8 PolarHBondContact O-N 2.98Å; M5-L9 VanDerWaalsContact O-CD1 3.25Å; M5-L9 WeakPolarHBondContact O-CD1 3.34Å; M5-L9 PolarHBondContact O-N 2.82Å
6K76.4Confident67.6Low166 Ų166117.8 Ų117.872%0.72263%0.628SS**Hα-helixtrans-65.4-37.8176.1-174.1169.3-177.2171.80112.1E2 F3 G10E2-K6 VanDerWaalsContact O-CB 3.29Å; E2-K6 WeakPolarHBondContact O-CB 3.46Å; E2-K6 PolarHBondContact O-N 3.46Å; F3-K6 PolarHBondContact O-N 3.27Å; K6-G10 WeakPolarHBondContact O-CA 3.3Å; K6-G10 PolarHBondContact O-N 3.44Å
7Q76.2Confident67Low134 Ų134113.8 Ų113.863%0.62662%0.622SS**Hα-helixtrans-66.6-41.3174.7-163.9-177.118.800111.4F3 V4 G11F3-Q7 WeakPolarHBondContact O-CB 3.15Å; F3-Q7 PolarHBondContact O-N 2.81Å; V4-Q7 PolarHBondContact O-N 2.84Å; Q7-G11 PolarHBondContact O-N 3.15Å
8A71Confident66.5Low64 Ų64117.6 Ų117.653%0.52963%0.631SS.*Hα-helixtrans-65.3-48.3178.100000112.6V4 M5 A12V4-A8 WeakPolarHBondContact O-CB 3.25Å; V4-A8 PolarHBondContact O-N 2.74Å; M5-A8 PolarHBondContact O-N 2.98Å; A8-A12 WeakPolarHBondContact O-CB 3.14Å; A8-A12 PolarHBondContact O-N 3.34Å
9L66.3Low66.2Low121 Ų121120.9 Ų120.963%0.63465%0.645SS**Hα-helixtrans-70.5-42.3177.9-86.290.7000112.1M5 G11 A12 T13M5-L9 VanDerWaalsContact O-CD1 3.25Å; M5-L9 WeakPolarHBondContact O-CD1 3.34Å; M5-L9 PolarHBondContact O-N 2.82Å; L9-G11 PolarHBondContact O-N 3.07Å; L9-A12 PolarHBondContact O-N 2.95Å; L9-T13 WeakPolarHBondContact O-CG2 3.43Å; L9-T13 PolarHBondContact O-N 3.48Å; L9-T13 PolarHBondContact O-OG1 3.06Å; L9-T13 VanDerWaalsContact O-OG1 3.11Å
10G63.4Low65.6Low36 Ų36121.7 Ų121.737%0.37165%0.649SS.*Hα-helixtrans-65.2-37.3-17900000113.1K6 T13 K14K6-G10 WeakPolarHBondContact O-CA 3.3Å; K6-G10 PolarHBondContact O-N 3.44Å; G10-T13 PolarHBondContact O-OG1 2.97Å; G10-K14 VanDerWaalsContact O-CB 3.27Å; G10-K14 WeakPolarHBondContact O-CB 3.46Å; G10-K14 PolarHBondContact O-N 2.82Å
11G64.7Low64.7Low34 Ų34119 Ų11935%0.35165%0.65SS.*Hα-helixtrans-64.4-52.8172.800000111.7Q7 L9 T13 K14 D15Q7-G11 PolarHBondContact O-N 3.15Å; L9-G11 PolarHBondContact O-N 3.07Å; G11-T13 VanDerWaalsContact C-N 3.33Å; G11-T13 PolarHBondContact O-N 3.33Å; G11-K14 PolarHBondContact O-N 3.41Å; G11-D15 PolarHBondContact O-N 3.12Å
12A59.2Low63.9Low65 Ų65113 Ų11354%0.53764%0.639SS.*Hα-helixtrans-59.4-40.1-177.500000113.1A8 L9 M16A8-A12 WeakPolarHBondContact O-CB 3.14Å; A8-A12 PolarHBondContact O-N 3.34Å; L9-A12 PolarHBondContact O-N 2.95Å; A12-M16 PolarHBondContact O-N 2.83Å
13T58.4Low62.7Low100 Ų100111.7 Ų111.761%0.61364%0.637SS**Hα-helixtrans-74.9-31.7179.156.40000113.5L9 G10 G11 G17L9-T13 WeakPolarHBondContact O-CG2 3.43Å; L9-T13 PolarHBondContact O-N 3.48Å; L9-T13 PolarHBondContact O-OG1 3.06Å; L9-T13 VanDerWaalsContact O-OG1 3.11Å; G10-T13 PolarHBondContact O-OG1 2.97Å; G11-T13 VanDerWaalsContact C-N 3.33Å; G11-T13 PolarHBondContact O-N 3.33Å; T13-G17 PolarHBondContact O-N 3.2Å; T13-G17 VanDerWaalsContact O-N 3.1Å
14K60.6Low60.7Low167 Ų167112.3 Ų112.373%0.72664%0.642SS**Hα-helixtrans-72.6-38-176.6-169173.6-176.9177.10111.4G10 G11 K18G10-K14 VanDerWaalsContact O-CB 3.27Å; G10-K14 WeakPolarHBondContact O-CB 3.46Å; G10-K14 PolarHBondContact O-N 2.82Å; G11-K14 PolarHBondContact O-N 3.41Å; K14-K18 PolarHBondContact O-N 2.67Å
15D61.5Low59.4Low117 Ų117116.3 Ų116.363%0.62665%0.654SS**Hα-helixtrans-71.9-36175.3-71.6-43.9000111.9G11 G17 K18 M19G11-D15 PolarHBondContact O-N 3.12Å; D15-G17 PolarHBondContact O-N 3.26Å; D15-K18 PolarHBondContact O-N 3.5Å; D15-M19 PolarHBondContact O-N 3.09Å
16M60.3Low57.9Low131 Ų131120.8 Ų120.865%0.64567%0.67SS**Hα-helixtrans-67.4-36.7176.7-162.6148.6-151.800112.8A12 K18 M19 L20A12-M16 PolarHBondContact O-N 2.83Å; M16-K18 VanDerWaalsContact C-N 3.3Å; M16-K18 PolarHBondContact O-N 2.99Å; M16-M19 PolarHBondContact O-N 2.89Å; M16-L20 HydrophobicContact CG-CD1 4.26Å; M16-L20 PolarHBondContact O-N 3.49Å
17G57.8Low56.8Low51 Ų51117 Ų11753%0.52666%0.658SS.*Hα-helixtrans-65.5-31.4174.600000113.4T13 D15T13-G17 PolarHBondContact O-N 3.2Å; T13-G17 VanDerWaalsContact O-N 3.1Å; D15-G17 PolarHBondContact O-N 3.26Å
18K58.4Low55.8Low181 Ų181114.9 Ų114.979%0.78766%0.656SS**Hα-helixtrans-78.4-27.3179.1-161.7167-176.1-178.40112.8K14 D15 M16 L20K14-K18 PolarHBondContact O-N 2.67Å; D15-K18 PolarHBondContact O-N 3.5Å; M16-K18 VanDerWaalsContact C-N 3.3Å; M16-K18 PolarHBondContact O-N 2.99Å; K18-L20 VanDerWaalsContact C-N 3.33Å
19M59.5Low55.2Low181 Ų181116.6 Ų116.689%0.89266%0.656SS**Hα-helixtrans-78.2-15.7175.6-117.5-179.1-177.500113.9D15 M16D15-M19 PolarHBondContact O-N 3.09Å; M16-M19 PolarHBondContact O-N 2.89Å
20L55.4Low54.9Low137 Ų137113.8 Ų113.872%0.71765%0.651SS**SBendtrans-1070.7-173.9-97.6155.4000115.1M16 K18M16-L20 HydrophobicContact CG-CD1 4.26Å; M16-L20 PolarHBondContact O-N 3.49Å; K18-L20 VanDerWaalsContact C-N 3.33Å
21G47.1Very low55.1Low66 Ų66115.1 Ų115.168%0.6866%0.658SS**  trans-123.929.1-16600000116.6
22G44.8Very low55.2Low71 Ų71119.6 Ų119.673%0.73267%0.668SS**  trans-109.893.6172.100000110.9
23D41.8Very low55.7Low144 Ų144123.3 Ų123.377%0.7767%0.672SS**SBend174.8128.6129.3-116.3-147.4000111.4
24E41.5Very low55.8Low174 Ų174124.5 Ų124.581%0.81367%0.67SS**  trans35.991.1148-77.9179.8107.800120.2
25E48.4Very low56Low181 Ų181122.3 Ų122.385%0.84666%0.663SS**  -160.9135.5118.2-131.4169.8162.600107.6D27E25-D27 PolarHBondContact O-N 3.03Å
26K44.3Very low56.5Low215 Ų215123 Ų12394%0.93566%0.662SS**  trans-75.865.8-177.4-162.6178.1-175.2178.60108.7P28K26-P28 WeakPolarHBondContact O-CD 3.4Å
27D53Low56.9Low86 Ų86125.7 Ų125.746%0.4667%0.665SS.*  trans-72.6118.2-171.5-152.4-17.4000108.5E25 D29 A30E25-D27 PolarHBondContact O-N 3.03Å; D27-D29 PolarHBondContact O-N 2.91Å; D27-A30 HydrophobicContact CB-CB 4.45Å; D27-A30 VanDerWaalsContact O-CB 3.26Å; D27-A30 WeakPolarHBondContact O-CB 3.19Å; D27-A30 PolarHBondContact O-N 3.22Å
28P54.8Low57.5Low90 Ų90128.4 Ų128.458%0.58466%0.664SS**Hα-helixtrans-57.7-20.6177.823.3-34.1000112.6K26 A30 A31 K32K26-P28 WeakPolarHBondContact O-CD 3.4Å; P28-A30 VanDerWaalsContact C-N 3.32Å; P28-A31 PolarHBondContact O-N 3.39Å; P28-K32 PolarHBondContact O-N 2.94Å
29D58.2Low58.3Low101 Ų101123.6 Ų123.654%0.5465%0.645SS.*Hα-helixtrans-69.7-27.8172.1-74.8-24000112.8D27 K33D27-D29 PolarHBondContact O-N 2.91Å; D29-K33 VanDerWaalsContact O-CB 3.23Å; D29-K33 WeakPolarHBondContact O-CB 3.36Å; D29-K33 PolarHBondContact O-N 2.78Å
30A60.3Low59.1Low62 Ų62117.6 Ų117.651%0.51262%0.624SS.*Hα-helixtrans-67.3-37.617300000111.8D27 P28 K33 E34D27-A30 HydrophobicContact CB-CB 4.45Å; D27-A30 VanDerWaalsContact O-CB 3.26Å; D27-A30 WeakPolarHBondContact O-CB 3.19Å; D27-A30 PolarHBondContact O-N 3.22Å; P28-A30 VanDerWaalsContact C-N 3.32Å; A30-K33 PolarHBondContact O-N 3.44Å; A30-E34 PolarHBondContact O-N 2.85Å
31A67.2Low60.1Low63 Ų63116.7 Ų116.752%0.52162%0.619SS.*Hα-helixtrans-68.5-44.5177.400000112.1P28 K33 E34 E35P28-A31 PolarHBondContact O-N 3.39Å; A31-K33 VanDerWaalsContact C-N 3.31Å; A31-K33 PolarHBondContact O-N 3.44Å; A31-E34 PolarHBondContact O-N 3.38Å; A31-E34 VanDerWaalsContact O-N 3.17Å; A31-E35 PolarHBondContact O-N 2.75Å
32K66.6Low61.7Low129 Ų129119.6 Ų119.656%0.56161%0.609SS**Hα-helixtrans-61.1-41.1174-74.6179.7-179.8174.80112.1P28 E34 E35 E36P28-K32 PolarHBondContact O-N 2.94Å; K32-E34 VanDerWaalsContact C-N 3.27Å; K32-E34 PolarHBondContact O-N 2.98Å; K32-E35 PolarHBondContact O-N 3.41Å; K32-E36 WeakPolarHBondContact O-CG 3.42Å; K32-E36 PolarHBondContact O-N 3.47Å
33K69.1Low63.5Low143 Ų143121.7 Ų121.762%0.62260%0.6SS**Hα-helixtrans-67.1-28.8177.2-165.7171.2-173.1172.60112.4D29 A30 A31 R37D29-K33 VanDerWaalsContact O-CB 3.23Å; D29-K33 WeakPolarHBondContact O-CB 3.36Å; D29-K33 PolarHBondContact O-N 2.78Å; A30-K33 PolarHBondContact O-N 3.44Å; A31-K33 VanDerWaalsContact C-N 3.31Å; A31-K33 PolarHBondContact O-N 3.44Å; K33-R37 VanDerWaalsContact O-CG 3.29Å; K33-R37 WeakPolarHBondContact O-CG 3.32Å; K33-R37 PolarHBondContact O-N 2.95Å
34E60.3Low65.6Low124 Ų124117.3 Ų117.358%0.57958%0.584SS**Hα-helixtrans-73.8-40.7172.9-171.2166-159.700112A30 A31 K32 R37 Q38A30-E34 PolarHBondContact O-N 2.85Å; A31-E34 PolarHBondContact O-N 3.38Å; A31-E34 VanDerWaalsContact O-N 3.17Å; K32-E34 VanDerWaalsContact C-N 3.27Å; K32-E34 PolarHBondContact O-N 2.98Å; E34-R37 PolarHBondContact O-N 3.17Å; E34-Q38 WeakPolarHBondContact O-CG 3.5Å; E34-Q38 PolarHBondContact O-N 2.99Å
35E66.5Low67.7Low121 Ų121114.1 Ų114.157%0.56557%0.569SS**Hα-helixtrans-60.2-48.5173.5-171.3173.1-165.500111.4A31 K32 R37 Q38 E39A31-E35 PolarHBondContact O-N 2.75Å; K32-E35 PolarHBondContact O-N 3.41Å; E35-R37 VanDerWaalsContact C-N 3.25Å; E35-R37 PolarHBondContact O-N 3.24Å; E35-Q38 PolarHBondContact O-N 2.82Å; E35-E39 WeakPolarHBondContact O-CG 3.3Å; E35-E39 PolarHBondContact O-N 2.8Å
36E71.3Confident69.3Low133 Ų133110.8 Ų110.862%0.62155%0.553SS**Hα-helixtrans-58.7-34.3175.1-74.8-178171.300112.8K32 A40K32-E36 WeakPolarHBondContact O-CG 3.42Å; K32-E36 PolarHBondContact O-N 3.47Å; E36-A40 VanDerWaalsContact O-CB 3.3Å; E36-A40 WeakPolarHBondContact O-CB 3.4Å; E36-A40 PolarHBondContact O-N 2.81Å
37R68.5Low71.4Confident186 Ų186107 Ų10770%0.70254%0.539SS*.Hα-helixtrans-70.5-38.6174.9-75.8-175.199.5-162.28.5112.3K33 E34 E35 L41K33-R37 VanDerWaalsContact O-CG 3.29Å; K33-R37 WeakPolarHBondContact O-CG 3.32Å; K33-R37 PolarHBondContact O-N 2.95Å; E34-R37 PolarHBondContact O-N 3.17Å; E35-R37 VanDerWaalsContact C-N 3.25Å; E35-R37 PolarHBondContact O-N 3.24Å; R37-L41 WeakPolarHBondContact O-CG 3.4Å; R37-L41 PolarHBondContact O-N 3.48Å
38Q70.4Confident73.1Confident108 Ų108110.4 Ų110.451%0.50555%0.545SS..Hα-helixtrans-68.7-38.1175.9-69-173.121.600111.3E34 E35 L41 R42E34-Q38 WeakPolarHBondContact O-CG 3.5Å; E34-Q38 PolarHBondContact O-N 2.99Å; E35-Q38 PolarHBondContact O-N 2.82Å; Q38-L41 PolarHBondContact O-N 2.75Å; Q38-R42 WeakPolarHBondContact O-CB 3.45Å; Q38-R42 PolarHBondContact O-N 2.85Å
39E74.6Confident74.9Confident81 Ų81112.2 Ų112.238%0.37954%0.544SS..Hα-helixtrans-66.1-42173.8-68.8-166.1155.400112.1E35 L41 R42 Q43E35-E39 WeakPolarHBondContact O-CG 3.3Å; E35-E39 PolarHBondContact O-N 2.8Å; E39-L41 VanDerWaalsContact C-N 3.29Å; E39-L41 PolarHBondContact O-N 3.35Å; E39-R42 WeakPolarHBondContact O-CB 3.13Å; E39-R42 PolarHBondContact O-N 2.82Å; E39-R42 VanDerWaalsContact O-N 3.14Å; E39-Q43 WeakPolarHBondContact O-CB 3.17Å; E39-Q43 WeakPolarHBondContact O-CG 3.15Å; E39-Q43 PolarHBondContact O-N 2.79Å
40A77.8Confident76.4Confident55 Ų55110.3 Ų110.346%0.45554%0.542SS..Hα-helixtrans-61.9-36.9174.400000112.3E36 A44E36-A40 VanDerWaalsContact O-CB 3.3Å; E36-A40 WeakPolarHBondContact O-CB 3.4Å; E36-A40 PolarHBondContact O-N 2.81Å; A40-A44 WeakPolarHBondContact O-CB 3.23Å; A40-A44 PolarHBondContact O-N 3.37Å
41L74.9Confident78.1Confident117 Ų117113.9 Ų113.961%0.61355%0.546SS*.Hα-helixtrans-67-41.6173.1-73.6172.5000111.7R37 Q38 E39 A44 E45R37-L41 WeakPolarHBondContact O-CG 3.4Å; R37-L41 PolarHBondContact O-N 3.48Å; Q38-L41 PolarHBondContact O-N 2.75Å; E39-L41 VanDerWaalsContact C-N 3.29Å; E39-L41 PolarHBondContact O-N 3.35Å; L41-A44 PolarHBondContact O-N 3.1Å; L41-E45 WeakPolarHBondContact O-CG 3.46Å; L41-E45 PolarHBondContact O-N 3.03Å
42R80.8Confident79.4Confident128 Ų128117.7 Ų117.748%0.48355%0.548SS..Hα-helixtrans-63.4-44.9176.8-162.1-173.2-60.9131.41.3111.2Q38 E39 E45 E46Q38-R42 WeakPolarHBondContact O-CB 3.45Å; Q38-R42 PolarHBondContact O-N 2.85Å; E39-R42 WeakPolarHBondContact O-CB 3.13Å; E39-R42 PolarHBondContact O-N 2.82Å; E39-R42 VanDerWaalsContact O-N 3.14Å; R42-E45 PolarHBondContact O-N 3.2Å; R42-E46 WeakPolarHBondContact O-CB 3.39Å; R42-E46 WeakPolarHBondContact O-CG 3.19Å; R42-E46 PolarHBondContact O-N 3.26Å
43Q82.9Confident80.6Confident115 Ų115114.5 Ų114.554%0.53755%0.546SS..Hα-helixtrans-61.8-44.5174.7-73179.21000111.5E39 E45 E46 E47E39-Q43 WeakPolarHBondContact O-CB 3.17Å; E39-Q43 WeakPolarHBondContact O-CG 3.15Å; E39-Q43 PolarHBondContact O-N 2.79Å; Q43-E45 VanDerWaalsContact C-N 3.3Å; Q43-E45 PolarHBondContact O-N 3.44Å; Q43-E46 PolarHBondContact O-N 2.84Å; Q43-E47 WeakPolarHBondContact O-CB 3.47Å; Q43-E47 VanDerWaalsContact O-CG 3.31Å; Q43-E47 WeakPolarHBondContact O-CG 3.29Å; Q43-E47 PolarHBondContact O-N 2.99Å
44A86.2Confident81.8Confident52 Ų52114.2 Ų114.243%0.4355%0.545SS..Hα-helixtrans-63.4-36.2176.700000112.4A40 L41 R48A40-A44 WeakPolarHBondContact O-CB 3.23Å; A40-A44 PolarHBondContact O-N 3.37Å; L41-A44 PolarHBondContact O-N 3.1Å; A44-R48 VanDerWaalsContact O-CB 3.23Å; A44-R48 WeakPolarHBondContact O-CB 3.5Å; A44-R48 PolarHBondContact O-N 3Å
45E84.7Confident83.4Confident107 Ų107112.1 Ų112.150%0.554%0.536SS..Hα-helixtrans-68.4-41.3173.2-76.8-171.5-17500112.7L41 R42 Q43 R48 K49L41-E45 WeakPolarHBondContact O-CG 3.46Å; L41-E45 PolarHBondContact O-N 3.03Å; R42-E45 PolarHBondContact O-N 3.2Å; Q43-E45 VanDerWaalsContact C-N 3.3Å; Q43-E45 PolarHBondContact O-N 3.44Å; E45-R48 WeakPolarHBondContact O-CB 3.4Å; E45-R48 PolarHBondContact O-N 2.74Å; E45-K49 WeakPolarHBondContact O-CB 3.47Å; E45-K49 VanDerWaalsContact O-CG 3.29Å; E45-K49 WeakPolarHBondContact O-CG 3.33Å; E45-K49 PolarHBondContact O-N 3.11Å
46E84Confident84.7Confident110 Ų110111.1 Ų111.151%0.51453%0.531SS..Hα-helixtrans-65.1-45.3175.4-75.6175.2-171.500111.3R42 Q43 R48 K49 A50R42-E46 WeakPolarHBondContact O-CB 3.39Å; R42-E46 WeakPolarHBondContact O-CG 3.19Å; R42-E46 PolarHBondContact O-N 3.26Å; Q43-E46 PolarHBondContact O-N 2.84Å; E46-R48 VanDerWaalsContact C-N 3.28Å; E46-R48 PolarHBondContact O-N 3.22Å; E46-K49 PolarHBondContact O-N 2.96Å; E46-A50 WeakPolarHBondContact O-CB 3.27Å; E46-A50 PolarHBondContact O-N 3.49Å
47E86.7Confident85.7Confident137 Ų137107.9 Ų107.964%0.6453%0.527SS*.Hα-helixtrans-59.7-40.6172.8-76-177.3177.900111.3Q43 K51Q43-E47 WeakPolarHBondContact O-CB 3.47Å; Q43-E47 VanDerWaalsContact O-CG 3.31Å; Q43-E47 WeakPolarHBondContact O-CG 3.29Å; Q43-E47 PolarHBondContact O-N 2.99Å; E47-K51 WeakPolarHBondContact O-CB 3.12Å; E47-K51 PolarHBondContact O-N 3.01Å
48R89.8Confident86.9Confident156 Ų156104.4 Ų104.459%0.58952%0.518SS*.Hα-helixtrans-63.3-50.9175.5-167.3-171.392.4179.23.4110.5A44 E45 E46 K51 Y52A44-R48 VanDerWaalsContact O-CB 3.23Å; A44-R48 WeakPolarHBondContact O-CB 3.5Å; A44-R48 PolarHBondContact O-N 3Å; E45-R48 WeakPolarHBondContact O-CB 3.4Å; E45-R48 PolarHBondContact O-N 2.74Å; E46-R48 VanDerWaalsContact C-N 3.28Å; E46-R48 PolarHBondContact O-N 3.22Å; R48-K51 PolarHBondContact O-N 2.89Å; R48-Y52 HydrophobicContact CG-CD2 3.7Å; R48-Y52 HydrophobicContact CG-CE2 3.42Å; R48-Y52 VanDerWaalsContact CG-CE2 3.42Å; R48-Y52 WeakPolarHBondContact O-CD2 3.45Å; R48-Y52 PolarHBondContact O-N 3.34Å
49K91.5Very high88.1Confident129 Ų129105.5 Ų105.556%0.56152%0.518SS*.Hα-helixtrans-60.3-45.5178.5-74.9171.5-173.91690111E45 E46 Y52 A53E45-K49 WeakPolarHBondContact O-CB 3.47Å; E45-K49 VanDerWaalsContact O-CG 3.29Å; E45-K49 WeakPolarHBondContact O-CG 3.33Å; E45-K49 PolarHBondContact O-N 3.11Å; E46-K49 PolarHBondContact O-N 2.96Å; K49-Y52 PolarHBondContact O-N 3.47Å; K49-A53 VanDerWaalsContact O-CB 3.26Å; K49-A53 WeakPolarHBondContact O-CB 3.5Å; K49-A53 PolarHBondContact O-N 3.5Å
50A91.3Very high89Confident60 Ų60104.6 Ų104.650%0.49651%0.514SS..Hα-helixtrans-62.8-43.1177.300000111.7E46 A53 K54E46-A50 WeakPolarHBondContact O-CB 3.27Å; E46-A50 PolarHBondContact O-N 3.49Å; A50-A53 PolarHBondContact O-N 3.2Å; A50-K54 WeakPolarHBondContact O-CB 3.11Å; A50-K54 PolarHBondContact O-N 3.44Å
51K94.7Very high89.7Confident138 Ų138105.1 Ų105.160%0.652%0.518SS*.Hα-helixtrans-60.9-47.2174.7-175.3-179.6179.4177.10111.5E47 R48 K54 M55E47-K51 WeakPolarHBondContact O-CB 3.12Å; E47-K51 PolarHBondContact O-N 3.01Å; R48-K51 PolarHBondContact O-N 2.89Å; K51-K54 PolarHBondContact O-N 3.2Å; K51-M55 HydrophobicContact CG-CE 4.1Å; K51-M55 HydrophobicContact CG-SD 4.47Å; K51-M55 VanDerWaalsContact O-CG 3.32Å; K51-M55 WeakPolarHBondContact O-CG 3.42Å; K51-M55 PolarHBondContact O-N 2.93Å
52Y94Very high90.7Very high142 Ų142105.7 Ų105.756%0.55752%0.519SS*.Hα-helixtrans-66.4-40.1177.2-77.5-67.4000112.3R48 K49 K54 M55 E56R48-Y52 HydrophobicContact CG-CD2 3.7Å; R48-Y52 HydrophobicContact CG-CE2 3.42Å; R48-Y52 VanDerWaalsContact CG-CE2 3.42Å; R48-Y52 WeakPolarHBondContact O-CD2 3.45Å; R48-Y52 PolarHBondContact O-N 3.34Å; K49-Y52 PolarHBondContact O-N 3.47Å; Y52-K54 VanDerWaalsContact C-N 3.34Å; Y52-K54 PolarHBondContact O-N 2.98Å; Y52-M55 HydrophobicContact CD1-CE 3.36Å; Y52-M55 HydrophobicContact CE1-CE 3.64Å; Y52-M55 HydrophobicContact CG-CE 4.06Å; Y52-M55 PolarHBondContact O-N 3.37Å; Y52-E56 WeakPolarHBondContact O-CB 3.46Å; Y52-E56 PolarHBondContact O-N 2.78Å
53A92.6Very high91.3Very high62 Ų62104.6 Ų104.651%0.51252%0.515SS..Hα-helixtrans-60.6-43.9175.400000111.5K49 A50 E56 A57K49-A53 VanDerWaalsContact O-CB 3.26Å; K49-A53 WeakPolarHBondContact O-CB 3.5Å; K49-A53 PolarHBondContact O-N 3.5Å; A50-A53 PolarHBondContact O-N 3.2Å; A53-E56 PolarHBondContact O-N 2.85Å; A53-A57 WeakPolarHBondContact O-CB 3.2Å; A53-A57 PolarHBondContact O-N 3.43Å
54K93.6Very high91.8Very high138 Ų138102.5 Ų102.560%0.651%0.505SS*.Hα-helixtrans-63.8-46.3175.4-174.6177177.3-179.90111.9A50 K51 Y52 E56 A57 E58A50-K54 WeakPolarHBondContact O-CB 3.11Å; A50-K54 PolarHBondContact O-N 3.44Å; K51-K54 PolarHBondContact O-N 3.2Å; Y52-K54 VanDerWaalsContact C-N 3.34Å; Y52-K54 PolarHBondContact O-N 2.98Å; K54-E56 VanDerWaalsContact C-N 3.31Å; K54-E56 PolarHBondContact O-N 2.67Å; K54-A57 PolarHBondContact O-N 3.19Å; K54-E58 WeakPolarHBondContact CE-OE1 3.42Å; K54-E58 WeakPolarHBondContact O-CG 3.39Å; K54-E58 PolarHBondContact O-N 2.93Å
55M94.5Very high92.2Very high80 Ų80101.8 Ų101.839%0.39450%0.503SS..Hα-helixtrans-62.6-37.6177.9-72.4-173.2-55.800112.3K51 Y52 R59K51-M55 HydrophobicContact CG-CE 4.1Å; K51-M55 HydrophobicContact CG-SD 4.47Å; K51-M55 VanDerWaalsContact O-CG 3.32Å; K51-M55 WeakPolarHBondContact O-CG 3.42Å; K51-M55 PolarHBondContact O-N 2.93Å; Y52-M55 HydrophobicContact CD1-CE 3.36Å; Y52-M55 HydrophobicContact CE1-CE 3.64Å; Y52-M55 HydrophobicContact CG-CE 4.06Å; Y52-M55 PolarHBondContact O-N 3.37Å; M55-R59 VanDerWaalsContact O-CB 3.26Å; M55-R59 WeakPolarHBondContact O-CB 2.72Å; M55-R59 PolarHBondContact O-N 3.32Å
56E93.2Very high92.7Very high100 Ų100100.7 Ų100.747%0.46750%0.5SS..Hα-helixtrans-72.2-37.8176.5-166.659.8-141.400111.7Y52 A53 K54 E58 R59 E60Y52-E56 WeakPolarHBondContact O-CB 3.46Å; Y52-E56 PolarHBondContact O-N 2.78Å; A53-E56 PolarHBondContact O-N 2.85Å; K54-E56 VanDerWaalsContact C-N 3.31Å; K54-E56 PolarHBondContact O-N 2.67Å; E56-E58 PolarHBondContact O-N 3.42Å; E56-R59 CarbonylContact O-C 3.45Å; E56-R59 WeakPolarHBondContact O-CB 3.4Å; E56-R59 PolarHBondContact O-N 2.97Å; E56-E60 WeakPolarHBondContact O-CB 3.45Å; E56-E60 PolarHBondContact O-N 2.88Å
57A93.8Very high93.2Very high64 Ų6497.5 Ų97.553%0.52948%0.483SS..Hα-helixtrans-61.3-44.9174.200000111.9A53 K54 R59 E60 A61A53-A57 WeakPolarHBondContact O-CB 3.2Å; A53-A57 PolarHBondContact O-N 3.43Å; K54-A57 PolarHBondContact O-N 3.19Å; A57-R59 VanDerWaalsContact C-N 3.32Å; A57-R59 PolarHBondContact O-N 3.38Å; A57-E60 PolarHBondContact O-N 2.71Å; A57-A61 WeakPolarHBondContact O-CB 3.26Å; A57-A61 PolarHBondContact O-N 3.29Å
58E93.9Very high93.5Very high113 Ų11396.2 Ų96.253%0.52848%0.481SS..Hα-helixtrans-63.7-38.7174-71.1173.3-172.900111.7K54 E56 A61 M62K54-E58 WeakPolarHBondContact CE-OE1 3.42Å; K54-E58 WeakPolarHBondContact O-CG 3.39Å; K54-E58 PolarHBondContact O-N 2.93Å; E56-E58 PolarHBondContact O-N 3.42Å; E58-A61 PolarHBondContact O-N 2.88Å; E58-M62 PolarHBondContact O-N 3.42Å
59R95.1Very high93.7Very high132 Ų13296.3 Ų96.350%0.49849%0.485SS..Hα-helixtrans-64.9-42.6175.9-168.6-176-172.695.6-0.1111.7M55 E56 A57 M62 R63M55-R59 VanDerWaalsContact O-CB 3.26Å; M55-R59 WeakPolarHBondContact O-CB 2.72Å; M55-R59 PolarHBondContact O-N 3.32Å; E56-R59 CarbonylContact O-C 3.45Å; E56-R59 WeakPolarHBondContact O-CB 3.4Å; E56-R59 PolarHBondContact O-N 2.97Å; A57-R59 VanDerWaalsContact C-N 3.32Å; A57-R59 PolarHBondContact O-N 3.38Å; R59-M62 WeakPolarHBondContact O-CB 3.39Å; R59-M62 PolarHBondContact O-N 3.47Å; R59-R63 VanDerWaalsContact NE-NH2 3.18Å; R59-R63 VanDerWaalsContact O-CG 3.27Å; R59-R63 WeakPolarHBondContact O-CG 2.84Å; R59-R63 PolarHBondContact O-N 3.32Å
60E92.8Very high93.9Very high62 Ų6297.4 Ų97.429%0.2949%0.487SS..Hα-helixtrans-70-36.2178-172.359.4-162.500111.4E56 A57 M62 R63 Q64 R67E56-E60 WeakPolarHBondContact O-CB 3.45Å; E56-E60 PolarHBondContact O-N 2.88Å; A57-E60 PolarHBondContact O-N 2.71Å; E60-M62 VanDerWaalsContact C-N 3.34Å; E60-M62 PolarHBondContact O-N 2.93Å; E60-R63 WeakPolarHBondContact O-CB 3.48Å; E60-R63 PolarHBondContact O-N 3.33Å; E60-R63 WeakPolarHBondContact OE2-CD 3.26Å; E60-Q64 WeakPolarHBondContact O-CB 3.1Å; E60-Q64 PolarHBondContact O-N 2.82Å; E60-R67 IonicContact OE1-CZ 3.24Å; E60-R67 VanDerWaalsContact OE1-CZ 3.24Å; E60-R67 IonicContact OE1-NH1 2.67Å; E60-R67 PolarHBondContact OE1-NH1 2.94Å; E60-R67 IonicContact OE1-NH2 2.85Å; E60-R67 PolarHBondContact OE1-NH2 3.22Å; E60-R67 IonicContact OE2-NH2 3.52Å
61A93.3Very high93.8Very high65 Ų6597.5 Ų97.554%0.53749%0.494SS..Hα-helixtrans-60.4-43.217100000111.7A57 E58 Q64 G65A57-A61 WeakPolarHBondContact O-CB 3.26Å; A57-A61 PolarHBondContact O-N 3.29Å; E58-A61 PolarHBondContact O-N 2.88Å; A61-Q64 PolarHBondContact O-N 3.44Å; A61-G65 PolarHBondContact O-N 2.83Å
62M94.4Very high93.5Very high130 Ų13095 Ų9564%0.6449%0.486SS*.Hα-helixtrans-61.9-46.3172.3179.8-152.4-72.800111.4E58 R59 E60 Q64 G65 I66E58-M62 PolarHBondContact O-N 3.42Å; R59-M62 WeakPolarHBondContact O-CB 3.39Å; R59-M62 PolarHBondContact O-N 3.47Å; E60-M62 VanDerWaalsContact C-N 3.34Å; E60-M62 PolarHBondContact O-N 2.93Å; M62-Q64 VanDerWaalsContact C-N 3.29Å; M62-Q64 PolarHBondContact O-N 2.74Å; M62-G65 PolarHBondContact O-N 3.25Å; M62-I66 HydrophobicContact CG-CD1 4.41Å; M62-I66 WeakPolarHBondContact O-CG1 3.15Å; M62-I66 PolarHBondContact O-N 2.79Å
63R93.3Very high93Very high105 Ų10593.1 Ų93.140%0.39648%0.481SS..Hα-helixtrans-59.1-42.7178-73170.2-176.9-74.413.1110.9R59 E60 I66 R67R59-R63 VanDerWaalsContact NE-NH2 3.18Å; R59-R63 VanDerWaalsContact O-CG 3.27Å; R59-R63 WeakPolarHBondContact O-CG 2.84Å; R59-R63 PolarHBondContact O-N 3.32Å; E60-R63 WeakPolarHBondContact O-CB 3.48Å; E60-R63 PolarHBondContact O-N 3.33Å; E60-R63 WeakPolarHBondContact OE2-CD 3.26Å; R63-I66 WeakPolarHBondContact O-CB 3.32Å; R63-I66 PolarHBondContact O-N 2.76Å; R63-R67 WeakPolarHBondContact O-CG 3.08Å; R63-R67 PolarHBondContact O-N 3.39Å
64Q93.4Very high92.4Very high70 Ų7093.1 Ų93.133%0.32747%0.469SS..Hα-helixtrans-64.6-43.9176.4-169.55939.900111.4E60 A61 M62 I66 R67 D68E60-Q64 WeakPolarHBondContact O-CB 3.1Å; E60-Q64 PolarHBondContact O-N 2.82Å; A61-Q64 PolarHBondContact O-N 3.44Å; M62-Q64 VanDerWaalsContact C-N 3.29Å; M62-Q64 PolarHBondContact O-N 2.74Å; Q64-I66 PolarHBondContact O-N 2.94Å; Q64-R67 CarbonylContact O-C 3.56Å; Q64-R67 WeakPolarHBondContact O-CA 3.31Å; Q64-R67 WeakPolarHBondContact O-CB 3.36Å; Q64-R67 PolarHBondContact O-N 3.34Å; Q64-D68 PolarHBondContact NE2-OD1 2.86Å; Q64-D68 VanDerWaalsContact O-CG 3.24Å; Q64-D68 PolarHBondContact O-N 3.38Å
65G95.2Very high91.6Very high38 Ų3893.3 Ų93.339%0.39247%0.47SS..Hα-helixtrans-58.5-33.2174.500000113.4A61 M62 K69A61-G65 PolarHBondContact O-N 2.83Å; M62-G65 PolarHBondContact O-N 3.25Å; G65-K69 VanDerWaalsContact O-CB 3.25Å; G65-K69 WeakPolarHBondContact O-CB 3.41Å; G65-K69 PolarHBondContact O-N 3.25Å
66I95.6Very high90.5Very high83 Ų8395.4 Ų95.443%0.42648%0.479SS..Hα-helixtrans-70.3-41.8171.7-65169.9000111M62 R63 Q64 D68 K69 Y70M62-I66 HydrophobicContact CG-CD1 4.41Å; M62-I66 WeakPolarHBondContact O-CG1 3.15Å; M62-I66 PolarHBondContact O-N 2.79Å; R63-I66 WeakPolarHBondContact O-CB 3.32Å; R63-I66 PolarHBondContact O-N 2.76Å; Q64-I66 PolarHBondContact O-N 2.94Å; I66-D68 VanDerWaalsContact C-N 3.33Å; I66-D68 PolarHBondContact O-N 3.34Å; I66-K69 PolarHBondContact O-N 2.92Å; I66-Y70 HydrophobicContact CG2-CD2 3.97Å; I66-Y70 HydrophobicContact CG2-CE2 4.22Å; I66-Y70 WeakPolarHBondContact O-CD2 3.45Å; I66-Y70 PolarHBondContact O-N 3.14Å
67R93.7Very high89Confident43 Ų4396.1 Ų96.116%0.16248%0.482CS..Hα-helixtrans-58.1-47.4175.6-71-180-158.6121.20.4111E60 R63 Q64 Y70 G71 I72E60-R67 IonicContact OE1-CZ 3.24Å; E60-R67 VanDerWaalsContact OE1-CZ 3.24Å; E60-R67 IonicContact OE1-NH1 2.67Å; E60-R67 PolarHBondContact OE1-NH1 2.94Å; E60-R67 IonicContact OE1-NH2 2.85Å; E60-R67 PolarHBondContact OE1-NH2 3.22Å; E60-R67 IonicContact OE2-NH2 3.52Å; R63-R67 WeakPolarHBondContact O-CG 3.08Å; R63-R67 PolarHBondContact O-N 3.39Å; Q64-R67 CarbonylContact O-C 3.56Å; Q64-R67 WeakPolarHBondContact O-CA 3.31Å; Q64-R67 WeakPolarHBondContact O-CB 3.36Å; Q64-R67 PolarHBondContact O-N 3.34Å; R67-Y70 PolarHBondContact O-N 2.9Å; R67-G71 CarbonylContact O-C 3.46Å; R67-G71 WeakPolarHBondContact O-CA 3.23Å; R67-G71 PolarHBondContact O-N 3.38Å; R67-I72 VanDerWaalsContact CB-O 3.3Å; R67-I72 WeakPolarHBondContact CB-O 3.19Å; R67-I72 PolarHBondContact O-N 2.91Å
68D93.2Very high87.4Confident111 Ų111100.1 Ų100.159%0.59448%0.484SS*.Hα-helixtrans-66.5-42-179.5-58.5-21000111.4Q64 I66 Y70 G71Q64-D68 PolarHBondContact NE2-OD1 2.86Å; Q64-D68 VanDerWaalsContact O-CG 3.24Å; Q64-D68 PolarHBondContact O-N 3.38Å; I66-D68 VanDerWaalsContact C-N 3.33Å; I66-D68 PolarHBondContact O-N 3.34Å; D68-Y70 VanDerWaalsContact C-N 3.28Å; D68-Y70 PolarHBondContact O-N 2.84Å; D68-G71 PolarHBondContact O-N 2.82Å
69K95.4Very high86.1Confident157 Ų15799.5 Ų99.568%0.68348%0.481SS*.Hα-helixtrans-60.6-34.6-179.6-176.8174.2-179.1179.80113.6G65 I66G65-K69 VanDerWaalsContact O-CB 3.25Å; G65-K69 WeakPolarHBondContact O-CB 3.41Å; G65-K69 PolarHBondContact O-N 3.25Å; I66-K69 PolarHBondContact O-N 2.92Å
70Y94.5Very high84.9Confident153 Ų15396 Ų9660%0.648%0.48SS*.Hα-helixtrans-111.98.2-176-62.9-71.6000113.4I66 R67 D68 I72I66-Y70 HydrophobicContact CG2-CD2 3.97Å; I66-Y70 HydrophobicContact CG2-CE2 4.22Å; I66-Y70 WeakPolarHBondContact O-CD2 3.45Å; I66-Y70 PolarHBondContact O-N 3.14Å; R67-Y70 PolarHBondContact O-N 2.9Å; D68-Y70 VanDerWaalsContact C-N 3.28Å; D68-Y70 PolarHBondContact O-N 2.84Å; Y70-I72 HydrophobicContact CD2-CD1 4.49Å; Y70-I72 PolarHBondContact O-N 3.35Å
71G88.9Confident83.7Confident62 Ų6298.2 Ų98.264%0.63949%0.49SS*.THydrogen-bonded Turntrans60.329-176.500000113.4R67 D68 K73R67-G71 CarbonylContact O-C 3.46Å; R67-G71 WeakPolarHBondContact O-CA 3.23Å; R67-G71 PolarHBondContact O-N 3.38Å; D68-G71 PolarHBondContact O-N 2.82Å; G71-K73 PolarHBondContact O-N 3.05Å; G71-K73 VanDerWaalsContact O-N 3.15Å
72I88.4Confident82.6Confident85 Ų8597.9 Ų97.944%0.43649%0.487SS..  trans-81.197.5-180-57.2165.1000107.8R67 Y70 K74R67-I72 VanDerWaalsContact CB-O 3.3Å; R67-I72 WeakPolarHBondContact CB-O 3.19Å; R67-I72 PolarHBondContact O-N 2.91Å; Y70-I72 HydrophobicContact CD2-CD1 4.49Å; Y70-I72 PolarHBondContact O-N 3.35Å; I72-K74 PolarHBondContact O-N 2.87Å
73K84.2Confident81.6Confident103 Ų10397.3 Ų97.345%0.44848%0.483SS..  trans-50136.7169.8-69.9-174.3171-174.60110.3G71 K75 E81G71-K73 PolarHBondContact O-N 3.05Å; G71-K73 VanDerWaalsContact O-N 3.15Å; K73-K75 PolarHBondContact O-N 3.01Å; K73-E81 IonicContact NZ-OE1 3.34Å; K73-E81 PolarHBondContact NZ-OE1 3.05Å; K73-E81 IonicContact NZ-OE2 2.74Å; K73-E81 PolarHBondContact NZ-OE2 3.24Å
74K80.3Confident80.6Confident62 Ų6294.9 Ų94.927%0.2749%0.486SS..  trans-60.3138.4178.8-158.6-179.8-171.7-148.70108.2I72 E76 E77 R78I72-K74 PolarHBondContact O-N 2.87Å; K74-E76 WeakPolarHBondContact CE-OE2 3.48Å; K74-E76 IonicContact NZ-OE2 3.19Å; K74-E76 PolarHBondContact NZ-OE2 2.93Å; K74-E76 PolarHBondContact O-N 3.21Å; K74-E77 HydrophobicContact CB-CB 4.44Å; K74-E77 HydrophobicContact CB-CG 4.07Å; K74-E77 PolarHBondContact N-OE2 3.45Å; K74-E77 WeakPolarHBondContact O-CB 3.29Å; K74-E77 PolarHBondContact O-N 3.24Å; K74-R78 PolarHBondContact O-N 2.71Å
75K76.6Confident79.5Confident142 Ų14293.9 Ų93.962%0.61749%0.489SS*.Hα-helixtrans-57.3-39.3-175.5-176.5178.9165.2-170.30111.5K73 E77 R78 E79K73-K75 PolarHBondContact O-N 3.01Å; K75-E77 VanDerWaalsContact C-N 3.34Å; K75-E77 PolarHBondContact O-N 2.94Å; K75-R78 CarbonylContact O-C 3.58Å; K75-R78 PolarHBondContact O-N 3.04Å; K75-R78 VanDerWaalsContact O-N 3.17Å; K75-E79 WeakPolarHBondContact CE-OE1 3.39Å; K75-E79 HydrophobicContact CG-CG 4.2Å; K75-E79 IonicContact NZ-OE1 2.71Å; K75-E79 PolarHBondContact NZ-OE1 3.17Å; K75-E79 WeakPolarHBondContact O-CB 3.49Å; K75-E79 WeakPolarHBondContact O-CG 3.34Å; K75-E79 PolarHBondContact O-N 2.93Å
76E71.3Confident78.3Confident123 Ų12399.1 Ų99.158%0.57551%0.505SS*.Hα-helixtrans-59.1-41.1174.5-71.2160.3165.200112.4K74 E79 A80K74-E76 WeakPolarHBondContact CE-OE2 3.48Å; K74-E76 IonicContact NZ-OE2 3.19Å; K74-E76 PolarHBondContact NZ-OE2 2.93Å; K74-E76 PolarHBondContact O-N 3.21Å; E76-E79 PolarHBondContact O-N 3.26Å; E76-A80 WeakPolarHBondContact O-CB 3.49Å; E76-A80 PolarHBondContact O-N 3.4Å
77E62.2Low76.9Confident116 Ų116100.3 Ų100.354%0.54251%0.509SS..Hα-helixtrans-69-39.3175.6-64.7171.8161.700111.2K74 K75 E81K74-E77 HydrophobicContact CB-CB 4.44Å; K74-E77 HydrophobicContact CB-CG 4.07Å; K74-E77 PolarHBondContact N-OE2 3.45Å; K74-E77 WeakPolarHBondContact O-CB 3.29Å; K74-E77 PolarHBondContact O-N 3.24Å; K75-E77 VanDerWaalsContact C-N 3.34Å; K75-E77 PolarHBondContact O-N 2.94Å; E77-E81 WeakPolarHBondContact O-CB 3.3Å; E77-E81 PolarHBondContact O-N 3.21Å
78R60.4Low75.8Confident147 Ų147101.1 Ų101.156%0.55553%0.525SS*.Hα-helixtrans-67.3-38.7176.3-174.4-175.4-70.3-178.3-2.9111.6K74 K75 A82K74-R78 PolarHBondContact O-N 2.71Å; K75-R78 CarbonylContact O-C 3.58Å; K75-R78 PolarHBondContact O-N 3.04Å; K75-R78 VanDerWaalsContact O-N 3.17Å; R78-A82 WeakPolarHBondContact O-CB 3.34Å; R78-A82 PolarHBondContact O-N 2.87Å
79E66.5Low74.4Confident101 Ų101102.5 Ų102.547%0.47253%0.532SS..Hα-helixtrans-72.1-40.6177-76.2-179.3155.900110.9K75 E76 A82 Q83K75-E79 WeakPolarHBondContact CE-OE1 3.39Å; K75-E79 HydrophobicContact CG-CG 4.2Å; K75-E79 IonicContact NZ-OE1 2.71Å; K75-E79 PolarHBondContact NZ-OE1 3.17Å; K75-E79 WeakPolarHBondContact O-CB 3.49Å; K75-E79 WeakPolarHBondContact O-CG 3.34Å; K75-E79 PolarHBondContact O-N 2.93Å; E76-E79 PolarHBondContact O-N 3.26Å; E79-A82 PolarHBondContact O-N 3.24Å; E79-Q83 WeakPolarHBondContact O-CB 3.45Å; E79-Q83 PolarHBondContact O-N 3.33Å
80A69Low72.8Confident58 Ų5897.1 Ų97.148%0.47951%0.514SS..Hα-helixtrans-63.9-41.8172.100000111.8E76 Q83 A84E76-A80 WeakPolarHBondContact O-CB 3.49Å; E76-A80 PolarHBondContact O-N 3.4Å; A80-Q83 PolarHBondContact O-N 2.83Å; A80-A84 WeakPolarHBondContact O-CB 3.5Å; A80-A84 PolarHBondContact O-N 3.01Å
81E67.7Low71.1Confident108 Ų10897.2 Ų97.251%0.50552%0.52SS..Hα-helixtrans-65.9-41.3174.8-173.4179.5-17600111.1K73 E77 A85K73-E81 IonicContact NZ-OE1 3.34Å; K73-E81 PolarHBondContact NZ-OE1 3.05Å; K73-E81 IonicContact NZ-OE2 2.74Å; K73-E81 PolarHBondContact NZ-OE2 3.24Å; E77-E81 WeakPolarHBondContact O-CB 3.3Å; E77-E81 PolarHBondContact O-N 3.21Å; E81-A85 WeakPolarHBondContact O-CB 3.33Å; E81-A85 PolarHBondContact O-N 3.33Å
82A69.7Low69.8Low58 Ų5897.5 Ų97.548%0.47952%0.523SS..Hα-helixtrans-68.7-39.4176.700000112.1R78 E79 A85 M86R78-A82 WeakPolarHBondContact O-CB 3.34Å; R78-A82 PolarHBondContact O-N 2.87Å; E79-A82 PolarHBondContact O-N 3.24Å; A82-A85 PolarHBondContact O-N 3.44Å; A82-M86 VanDerWaalsContact O-CB 3.23Å; A82-M86 WeakPolarHBondContact O-CB 3.45Å; A82-M86 PolarHBondContact O-N 3.02Å
83Q74.1Confident68.2Low119 Ų11995.9 Ų95.956%0.55652%0.52SS*.Hα-helixtrans-68.4-45.5176-176.2169.4-6.400110.6E79 A80 A85 M86 E87E79-Q83 WeakPolarHBondContact O-CB 3.45Å; E79-Q83 PolarHBondContact O-N 3.33Å; A80-Q83 PolarHBondContact O-N 2.83Å; Q83-A85 VanDerWaalsContact C-N 3.34Å; Q83-A85 PolarHBondContact O-N 3.27Å; Q83-M86 PolarHBondContact O-N 3.17Å; Q83-E87 WeakPolarHBondContact CG-OE1 3.29Å; Q83-E87 PolarHBondContact NE2-OE1 3.35Å; Q83-E87 WeakPolarHBondContact O-CB 3.42Å; Q83-E87 WeakPolarHBondContact O-CG 3.23Å; Q83-E87 PolarHBondContact O-N 3.01Å
84A72.4Confident67Low54 Ų5499.6 Ų99.645%0.44654%0.543SS..Hα-helixtrans-62.1-39.817400000112A80 E87 A88A80-A84 WeakPolarHBondContact O-CB 3.5Å; A80-A84 PolarHBondContact O-N 3.01Å; A84-E87 PolarHBondContact O-N 3.47Å; A84-A88 VanDerWaalsContact O-CB 3.3Å; A84-A88 WeakPolarHBondContact O-CB 3.49Å; A84-A88 PolarHBondContact O-N 3.22Å
85A69.7Low66.1Low48 Ų48102.7 Ų102.740%0.39757%0.568SS.*Hα-helixtrans-68.7-34.9175.300000112.5E81 A82 Q83 N89E81-A85 WeakPolarHBondContact O-CB 3.33Å; E81-A85 PolarHBondContact O-N 3.33Å; A82-A85 PolarHBondContact O-N 3.44Å; Q83-A85 VanDerWaalsContact C-N 3.34Å; Q83-A85 PolarHBondContact O-N 3.27Å; A85-N89 WeakPolarHBondContact O-CB 3.49Å; A85-N89 PolarHBondContact O-N 3.39Å; A85-N89 PolarHBondContact O-ND2 3.25Å
86M69.9Low65.2Low149 Ų149101.1 Ų101.173%0.73456%0.558SS**Hα-helixtrans-70-39.3174.1-169.2171.9-176.400111.1A82 Q83 S90A82-M86 VanDerWaalsContact O-CB 3.23Å; A82-M86 WeakPolarHBondContact O-CB 3.45Å; A82-M86 PolarHBondContact O-N 3.02Å; Q83-M86 PolarHBondContact O-N 3.17Å; M86-S90 VanDerWaalsContact O-CB 3.29Å; M86-S90 WeakPolarHBondContact O-CB 3.25Å; M86-S90 PolarHBondContact O-N 3.49Å; M86-S90 PolarHBondContact O-OG 3.2Å
87E66.8Low64.6Low108 Ų108100.5 Ų100.551%0.50557%0.565SS.*Hα-helixtrans-64.7-46.8173.9-76174.7-16600111Q83 A84 S90 E91Q83-E87 WeakPolarHBondContact CG-OE1 3.29Å; Q83-E87 PolarHBondContact NE2-OE1 3.35Å; Q83-E87 WeakPolarHBondContact O-CB 3.42Å; Q83-E87 WeakPolarHBondContact O-CG 3.23Å; Q83-E87 PolarHBondContact O-N 3.01Å; A84-E87 PolarHBondContact O-N 3.47Å; E87-S90 WeakPolarHBondContact CA-OG 3.39Å; E87-S90 CarbonylContact O-C 3.58Å; E87-S90 WeakPolarHBondContact O-CA 3.44Å; E87-S90 WeakPolarHBondContact O-CB 3.43Å; E87-S90 PolarHBondContact O-N 3.06Å; E87-S90 PolarHBondContact O-OG 2.78Å; E87-E91 WeakPolarHBondContact O-CB 3.29Å; E87-E91 PolarHBondContact O-N 3.29Å
88A69.7Low64.5Low59 Ų59104.5 Ų104.549%0.48858%0.58SS.*Hα-helixtrans-63-43.6176.600000112.7A84 S90 E91A84-A88 VanDerWaalsContact O-CB 3.3Å; A84-A88 WeakPolarHBondContact O-CB 3.49Å; A84-A88 PolarHBondContact O-N 3.22Å; A88-S90 PolarHBondContact O-N 3.29Å; A88-E91 PolarHBondContact O-N 3.31Å; A88-E91 VanDerWaalsContact O-N 3.12Å
89N64.6Low64.4Low141 Ų141104.1 Ų104.175%0.75458%0.583SS**Hα-helixtrans-66.3-25.8173.9-79.8-45.3000112.3A85A85-N89 WeakPolarHBondContact O-CB 3.49Å; A85-N89 PolarHBondContact O-N 3.39Å; A85-N89 PolarHBondContact O-ND2 3.25Å
90S63Low64Low44 Ų44104 Ų10431%0.30860%0.599SS.*Hα-helixtrans-81.4-21.4173.282.40000113.1M86 E87 A88 G92 S93M86-S90 VanDerWaalsContact O-CB 3.29Å; M86-S90 WeakPolarHBondContact O-CB 3.25Å; M86-S90 PolarHBondContact O-N 3.49Å; M86-S90 PolarHBondContact O-OG 3.2Å; E87-S90 WeakPolarHBondContact CA-OG 3.39Å; E87-S90 CarbonylContact O-C 3.58Å; E87-S90 WeakPolarHBondContact O-CA 3.44Å; E87-S90 WeakPolarHBondContact O-CB 3.43Å; E87-S90 PolarHBondContact O-N 3.06Å; E87-S90 PolarHBondContact O-OG 2.78Å; A88-S90 PolarHBondContact O-N 3.29Å; S90-G92 VanDerWaalsContact C-N 3.28Å; S90-G92 PolarHBondContact O-N 3.03Å; S90-S93 PolarHBondContact O-N 3.37Å
91E58.5Low63.3Low155 Ų155106.3 Ų106.372%0.72460%0.602SS**THydrogen-bonded Turntrans-81.773.6179.4-160168.8-142.300110E87 A88E87-E91 WeakPolarHBondContact O-CB 3.29Å; E87-E91 PolarHBondContact O-N 3.29Å; A88-E91 PolarHBondContact O-N 3.31Å; A88-E91 VanDerWaalsContact O-N 3.12Å
92G60.2Low62.6Low68 Ų68105 Ų10570%0.70160%0.603SS**THydrogen-bonded Turntrans148.2-918000000114.2S90 L94S90-G92 VanDerWaalsContact C-N 3.28Å; S90-G92 PolarHBondContact O-N 3.03Å; G92-L94 PolarHBondContact O-N 3.23Å; G92-L94 VanDerWaalsContact O-N 3.09Å
93S56.1Low62.2Low51 Ų51109 Ų10936%0.35762%0.623SS.*  trans-65.1113.9174.6-175.50000110.4S90 T95 R96S90-S93 PolarHBondContact O-N 3.37Å; S93-T95 PolarHBondContact O-N 2.93Å; S93-T95 VanDerWaalsContact O-N 3.1Å; S93-T95 PolarHBondContact OG-N 3.44Å; S93-T95 PolarHBondContact OG-OG1 3.3Å; S93-R96 WeakPolarHBondContact O-CB 3.1Å; S93-R96 PolarHBondContact O-N 3.44Å
94L58.7Low61.5Low181 Ų181107.3 Ų107.395%0.94864%0.638SS**THydrogen-bonded Turntrans-58.6-16.6171.5-96.5126.8000113.2G92G92-L94 PolarHBondContact O-N 3.23Å; G92-L94 VanDerWaalsContact O-N 3.09Å
95T61.2Low60.4Low127 Ų127108.8 Ų108.878%0.77964%0.644SS**THydrogen-bonded Turntrans-90.2-2.6173.963.60000113.1S93 P97S93-T95 PolarHBondContact O-N 2.93Å; S93-T95 VanDerWaalsContact O-N 3.1Å; S93-T95 PolarHBondContact OG-N 3.44Å; S93-T95 PolarHBondContact OG-OG1 3.3Å; T95-P97 WeakPolarHBondContact O-CD 3.39Å
96R57.1Low59.5Low108 Ų108109.7 Ų109.741%0.40866%0.659SS.*SBendtrans-66121.1168.3-165.2-176.1-166.9-165.912.3106.9S93 K98S93-R96 WeakPolarHBondContact O-CB 3.1Å; S93-R96 PolarHBondContact O-N 3.44Å; R96-K98 PolarHBondContact O-N 2.99Å
97P60.2Low58.8Low111 Ų111110.3 Ų110.372%0.72167%0.665SS**  trans-54.9123.1167.523.4-30.2000105.9T95 K99T95-P97 WeakPolarHBondContact O-CD 3.39Å; P97-K99 PolarHBondContact O-N 2.98Å
98K59.9Low57.9Low199 Ų199114.1 Ų114.187%0.86568%0.683SS**  trans-41.8121176.5-64.1175.5-177.4177.20106R96 A100R96-K98 PolarHBondContact O-N 2.99Å; K98-A100 VanDerWaalsContact C-N 3.29Å; K98-A100 PolarHBondContact O-N 3.35Å
99K56.7Low57Low140 Ų140115.9 Ų115.961%0.60969%0.687SS**  trans-50.3105.8173-78.2-82.2-176.2169.80104.9P97 I101P97-K99 PolarHBondContact O-N 2.98Å; K99-I101 PolarHBondContact O-N 2.97Å
100A59.4Low56.2Low98 Ų98118.7 Ų118.781%0.8170%0.696SS**SBendtrans-63.9-9.9-176.400000110.8K98K98-A100 VanDerWaalsContact C-N 3.29Å; K98-A100 PolarHBondContact O-N 3.35Å
101I52.8Low55.4Low107 Ų107124.3 Ų124.355%0.54972%0.717SS.*SBendtrans-128.2100.8-178.2-54.1-178.3000106.8K99 C105K99-I101 PolarHBondContact O-N 2.97Å; I101-C105 HydrophobicContact CG2-CB 3.66Å; I101-C105 WeakPolarHBondContact CG2-O 3.38Å
102P54.1Low55Low81 Ų81125.3 Ų125.353%0.52672%0.722SS.*  trans-70.1155174.626.3-29.7000111.1G104 C105P102-G104 PolarHBondContact O-N 3.11Å; P102-C105 PolarHBondContact O-N 3.36Å; P102-C105 VanDerWaalsContact O-N 3.11Å
103P61.2Low54.6Low140 Ų140129.4 Ų129.491%0.90973%0.728SS**THydrogen-bonded Turntrans-58.2123.6179.523.5-31.7000110.2
104G59.4Low54.5Low84 Ų84134.5 Ų134.587%0.86675%0.746SS**THydrogen-bonded Turntrans113.3-6.4-170.600000114.5P102P102-G104 PolarHBondContact O-N 3.11Å
105C48.5Very low54.8Low85 Ų85128.1 Ų128.157%0.57472%0.717SS**SBendtrans-115.1106.3168-171.60000107.1I101 P102I101-C105 HydrophobicContact CG2-CB 3.66Å; I101-C105 WeakPolarHBondContact CG2-O 3.38Å; P102-C105 PolarHBondContact O-N 3.36Å; P102-C105 VanDerWaalsContact O-N 3.11Å
106G51.5Low55.5Low68 Ų68128.9 Ų128.970%0.70171%0.714SS**SBendtrans140.2-4.2-17800000116
107D55.4Low56.1Low162 Ų162129.3 Ų129.387%0.86672%0.724SS**SBendtrans-91.56171.9-117.8-59.6000113.1
108E48.7Very low57Low187 Ų187128.5 Ų128.587%0.87471%0.714SS**SBendtrans-128.719.7-176.7-67.5-163.7163.100115.4
109V50.7Low58.1Low97 Ų97122.3 Ų122.359%0.58869%0.693SS**  trans-132.958.5170.7-160.20000109.8E111V109-E111 WeakPolarHBondContact CG1-O 3.23Å
110E46.7Very low59.2Low200 Ų200119.3 Ų119.394%0.93569%0.686SS**SBendtrans-774.8156.3-142.3-170.6-174.800111.5
111E46Very low60.4Low161 Ų161115.8 Ų115.875%0.75265%0.653SS**SBendtrans-132.3126.5173.6-62.1-156.8156.100110.4V109V109-E111 WeakPolarHBondContact CG1-O 3.23Å
112E50.5Low61.8Low177 Ų177118.5 Ų118.583%0.82766%0.661SS**  trans99.717.2164.8-49.9-176.8170.600120.2E114E112-E114 PolarHBondContact O-N 2.87Å
113D51.9Low63.2Low153 Ų153123.8 Ų123.882%0.81867%0.672SS**  trans-72.387.3152.8-85.2-24.3000107.8S115D113-S115 WeakPolarHBondContact O-CA 3.42Å; D113-S115 PolarHBondContact O-N 3.23Å
114E53.3Low64.2Low159 Ų159119.6 Ų119.674%0.74364%0.642SS**  trans-23.2104.9162.3-63.3-177.7162.900108.7E112 I116E112-E114 PolarHBondContact O-N 2.87Å; E114-I116 PolarHBondContact O-N 3.05Å
115S65.3Low65.5Low47 Ų47119.6 Ų119.633%0.32963%0.626SS.*  trans-51.2138.3-164.5690000108.7D113 L117 D118 T119D113-S115 WeakPolarHBondContact O-CA 3.42Å; D113-S115 PolarHBondContact O-N 3.23Å; S115-L117 CarbonylContact O-C 3.55Å; S115-L117 PolarHBondContact O-N 3.46Å; S115-L117 WeakPolarHBondContact OG-CB 3.49Å; S115-D118 WeakPolarHBondContact O-CA 3.25Å; S115-D118 WeakPolarHBondContact O-CB 3.48Å; S115-D118 PolarHBondContact O-N 3.38Å; S115-D118 PolarHBondContact OG-N 2.85Å; S115-D118 PolarHBondContact OG-OD2 2.82Å; S115-T119 PolarHBondContact O-N 3.2Å
116I76.3Confident67Low142 Ų142117.3 Ų117.373%0.72862%0.617SS**Hα-helixtrans-48.2-28.4171.8-74.5167.9000110.1E114 T119 V120E114-I116 PolarHBondContact O-N 3.05Å; I116-T119 PolarHBondContact O-N 3.02Å; I116-V120 HydrophobicContact CG2-CG2 4.36Å; I116-V120 VanDerWaalsContact O-CG2 3.25Å; I116-V120 WeakPolarHBondContact O-CG2 3.26Å; I116-V120 PolarHBondContact O-N 3.38Å
117L70.7Confident68.6Low118 Ų118118.8 Ų118.862%0.61861%0.614SS**Hα-helixtrans-58.2-48.3169-67168000113.4S115 T119 V120 I121S115-L117 CarbonylContact O-C 3.55Å; S115-L117 PolarHBondContact O-N 3.46Å; S115-L117 WeakPolarHBondContact OG-CB 3.49Å; L117-T119 VanDerWaalsContact C-N 3.35Å; L117-T119 PolarHBondContact O-N 3.4Å; L117-V120 PolarHBondContact O-N 3.2Å; L117-I121 WeakPolarHBondContact O-CB 3.47Å; L117-I121 WeakPolarHBondContact O-CD1 3.27Å; L117-I121 WeakPolarHBondContact O-CG1 3.46Å; L117-I121 PolarHBondContact O-N 3.18Å
118D78.7Confident69.7Low94 Ų94115 Ų11550%0.50359%0.594SS.*Hα-helixtrans-60.7-41174.3-80.7-49.5000113S115 V120 I121 K122S115-D118 WeakPolarHBondContact O-CA 3.25Å; S115-D118 WeakPolarHBondContact O-CB 3.48Å; S115-D118 PolarHBondContact O-N 3.38Å; S115-D118 PolarHBondContact OG-N 2.85Å; S115-D118 PolarHBondContact OG-OD2 2.82Å; D118-V120 PolarHBondContact O-N 3.3Å; D118-I121 PolarHBondContact O-N 3.1Å; D118-K122 PolarHBondContact O-N 3.06Å
119T81.8Confident71.2Confident69 Ų69108.2 Ų108.242%0.42356%0.562SS.*Hα-helixtrans-60.9-46.9174.5-64.80000110.5S115 I116 L117 K122 Y123S115-T119 PolarHBondContact O-N 3.2Å; I116-T119 PolarHBondContact O-N 3.02Å; L117-T119 VanDerWaalsContact C-N 3.35Å; L117-T119 PolarHBondContact O-N 3.4Å; T119-K122 WeakPolarHBondContact O-CB 3.45Å; T119-K122 PolarHBondContact O-N 3.06Å; T119-Y123 HydrophobicContact CG2-CD2 4.44Å; T119-Y123 HydrophobicContact CG2-CE2 4.2Å; T119-Y123 VanDerWaalsContact O-CD2 3.23Å; T119-Y123 WeakPolarHBondContact O-CD2 3.14Å
120V80.4Confident72.8Confident77 Ų77108.2 Ų108.247%0.46756%0.559SS.*Hα-helixtrans-65-41.5177.8172.50000111.5I116 L117 D118 K122 Y123 L124I116-V120 HydrophobicContact CG2-CG2 4.36Å; I116-V120 VanDerWaalsContact O-CG2 3.25Å; I116-V120 WeakPolarHBondContact O-CG2 3.26Å; I116-V120 PolarHBondContact O-N 3.38Å; L117-V120 PolarHBondContact O-N 3.2Å; D118-V120 PolarHBondContact O-N 3.3Å; V120-K122 PolarHBondContact O-N 3.34Å; V120-Y123 PolarHBondContact O-N 3.39Å; V120-L124 HydrophobicContact CG1-CD1 4.41Å; V120-L124 PolarHBondContact O-N 3.22Å
121I83.7Confident74.4Confident23 Ų23105.7 Ų105.712%0.11855%0.549CS..Hα-helixtrans-55.8-41.9176.7-73.1162.5000110.5L117 D118 Y123 L124 Q129 L132L117-I121 WeakPolarHBondContact O-CB 3.47Å; L117-I121 WeakPolarHBondContact O-CD1 3.27Å; L117-I121 WeakPolarHBondContact O-CG1 3.46Å; L117-I121 PolarHBondContact O-N 3.18Å; D118-I121 PolarHBondContact O-N 3.1Å; I121-Y123 VanDerWaalsContact C-N 3.26Å; I121-Y123 PolarHBondContact O-N 2.74Å; I121-L124 PolarHBondContact O-N 3.26Å; I121-Q129 WeakPolarHBondContact O-CG 3.38Å; I121-Q129 PolarHBondContact O-NE2 3.43Å; I121-L132 HydrophobicContact CD1-CD2 3.75Å; I121-L132 HydrophobicContact CG1-CD2 3.45Å; I121-L132 VanDerWaalsContact CG1-CD2 3.45Å
122K82.2Confident75.7Confident164 Ų164103 Ų10371%0.71354%0.539SS*.Hα-helixtrans-61.3-31.5178.9-169.3176.1-178.7175.20113.6D118 T119 V120 Q129D118-K122 PolarHBondContact O-N 3.06Å; T119-K122 WeakPolarHBondContact O-CB 3.45Å; T119-K122 PolarHBondContact O-N 3.06Å; V120-K122 PolarHBondContact O-N 3.34Å; K122-Q129 PolarHBondContact O-NE2 3.48Å
123Y84.3Confident76.8Confident193 Ų193101 Ų10176%0.75753%0.528SS*.Hα-helixtrans-89.9-10.5179.5-74.3-77.6000114T119 V120 I121T119-Y123 HydrophobicContact CG2-CD2 4.44Å; T119-Y123 HydrophobicContact CG2-CE2 4.2Å; T119-Y123 VanDerWaalsContact O-CD2 3.23Å; T119-Y123 WeakPolarHBondContact O-CD2 3.14Å; V120-Y123 PolarHBondContact O-N 3.39Å; I121-Y123 VanDerWaalsContact C-N 3.26Å; I121-Y123 PolarHBondContact O-N 2.74Å
124L82.9Confident77.4Confident52 Ų52105 Ų10527%0.27254%0.538SS..SBendtrans-72.1136.5176.9-74.7170.8000110.3V120 I121 L128 Q129V120-L124 HydrophobicContact CG1-CD1 4.41Å; V120-L124 PolarHBondContact O-N 3.22Å; I121-L124 PolarHBondContact O-N 3.26Å; L124-L128 HydrophobicContact CB-CB 4.04Å; L124-L128 HydrophobicContact CD2-CB 4.37Å; L124-L128 HydrophobicContact CD2-CD1 3.93Å; L124-Q129 HydrophobicContact CB-CG 4.12Å; L124-Q129 WeakPolarHBondContact O-CG 3.29Å; L124-Q129 PolarHBondContact O-NE2 3.22Å
125P85.2Confident78.6Confident83 Ų83102.4 Ų102.454%0.53953%0.527SS..  trans-60.8142.9175.923-31.7000110.4P127 L128 Q129P125-P127 VanDerWaalsContact C-N 3.33Å; P125-P127 WeakPolarHBondContact O-CD 3.38Å; P125-L128 HydrophobicContact CG-CD1 3.95Å; P125-L128 HydrophobicContact CG-CG 4.35Å; P125-L128 WeakPolarHBondContact O-CA 3.33Å; P125-L128 WeakPolarHBondContact O-CB 3.44Å; P125-L128 PolarHBondContact O-N 3.43Å; P125-Q129 PolarHBondContact O-N 2.78Å
126G81.7Confident79.3Confident38 Ų38105.3 Ų105.339%0.39254%0.538SS..Hα-helixtrans-36.5-49.6-16900000116.6L128 Q129 D130G126-L128 PolarHBondContact O-N 3.36Å; G126-L128 VanDerWaalsContact O-N 3.14Å; G126-Q129 PolarHBondContact O-N 3.43Å; G126-D130 PolarHBondContact O-N 3.4Å; G126-D130 VanDerWaalsContact O-N 3.12Å
127P85.1Confident79.5Confident99 Ų99103.2 Ų103.264%0.64353%0.527SS*.Hα-helixtrans-57-31.7178.5-25.534.5000114.5P125 M131P125-P127 VanDerWaalsContact C-N 3.33Å; P125-P127 WeakPolarHBondContact O-CD 3.38Å; P127-M131 WeakPolarHBondContact O-CG 3.43Å; P127-M131 PolarHBondContact O-N 3.05Å
128L77.4Confident80Confident82 Ų82102.4 Ų102.443%0.42952%0.522SS..Hα-helixtrans-81.9-30.7177.7-65.7-178.7000112.5L124 P125 G126 D130 M131 L132L124-L128 HydrophobicContact CB-CB 4.04Å; L124-L128 HydrophobicContact CD2-CB 4.37Å; L124-L128 HydrophobicContact CD2-CD1 3.93Å; P125-L128 HydrophobicContact CG-CD1 3.95Å; P125-L128 HydrophobicContact CG-CG 4.35Å; P125-L128 WeakPolarHBondContact O-CA 3.33Å; P125-L128 WeakPolarHBondContact O-CB 3.44Å; P125-L128 PolarHBondContact O-N 3.43Å; G126-L128 PolarHBondContact O-N 3.36Å; G126-L128 VanDerWaalsContact O-N 3.14Å; L128-D130 VanDerWaalsContact C-N 3.31Å; L128-M131 PolarHBondContact O-N 3.14Å; L128-L132 PolarHBondContact O-N 3.43Å
129Q81.1Confident80.1Confident44 Ų44102.9 Ų102.921%0.20652%0.523CS..Hα-helixtrans-62.7-42.6172.2-57-165.7-0.100110.7I121 K122 L124 P125 G126 M131 L132 K133I121-Q129 WeakPolarHBondContact O-CG 3.38Å; I121-Q129 PolarHBondContact O-NE2 3.43Å; K122-Q129 PolarHBondContact O-NE2 3.48Å; L124-Q129 HydrophobicContact CB-CG 4.12Å; L124-Q129 WeakPolarHBondContact O-CG 3.29Å; L124-Q129 PolarHBondContact O-NE2 3.22Å; P125-Q129 PolarHBondContact O-N 2.78Å; G126-Q129 PolarHBondContact O-N 3.43Å; Q129-M131 VanDerWaalsContact C-N 3.28Å; Q129-M131 PolarHBondContact O-N 3.12Å; Q129-L132 PolarHBondContact O-N 3.25Å; Q129-K133 WeakPolarHBondContact O-CB 3.5Å; Q129-K133 VanDerWaalsContact O-CG 3.29Å; Q129-K133 WeakPolarHBondContact O-CG 3.4Å; Q129-K133 PolarHBondContact O-N 3.19Å
130D84Confident80Confident98 Ų98105.1 Ų105.152%0.52453%0.53SS..Hα-helixtrans-68.2-27.2-179.9-65.8-25000112.8G126 L128 K134G126-D130 PolarHBondContact O-N 3.4Å; G126-D130 VanDerWaalsContact O-N 3.12Å; L128-D130 VanDerWaalsContact C-N 3.31Å; D130-K134 WeakPolarHBondContact O-CG 3.38Å
131M80.2Confident80Confident146 Ų146107.1 Ų107.172%0.71953%0.534SS*.Hα-helixtrans-76.5-30.3174.8-72-172.785.100112.8P127 L128 Q129P127-M131 WeakPolarHBondContact O-CG 3.43Å; P127-M131 PolarHBondContact O-N 3.05Å; L128-M131 PolarHBondContact O-N 3.14Å; Q129-M131 VanDerWaalsContact C-N 3.28Å; Q129-M131 PolarHBondContact O-N 3.12Å
132L71.9Confident79.7Confident104 Ų104113.6 Ų113.655%0.54557%0.567SS.*Hα-helixtrans-88.4-19.8179.3-153.870000113.1I121 L128 Q129I121-L132 HydrophobicContact CD1-CD2 3.75Å; I121-L132 HydrophobicContact CG1-CD2 3.45Å; I121-L132 VanDerWaalsContact CG1-CD2 3.45Å; L128-L132 PolarHBondContact O-N 3.43Å; Q129-L132 PolarHBondContact O-N 3.25Å
133K73.9Confident79.5Confident137 Ų137109.4 Ų109.460%0.59655%0.554SS**  trans-91-2.9177.2-69.9175.4-178.7172.90114.3Q129Q129-K133 WeakPolarHBondContact O-CB 3.5Å; Q129-K133 VanDerWaalsContact O-CG 3.29Å; Q129-K133 WeakPolarHBondContact O-CG 3.4Å; Q129-K133 PolarHBondContact O-N 3.19Å
134K65.8Low79Confident237 Ų237101.8 Ų101.8100%1.0354%0.536SS*.  trans-93.90173.2-84178.2-178.8174.40110.7D130D130-K134 WeakPolarHBondContact O-CG 3.38Å

Retrieved 134 of 134 residues in 106.2 ms (Link to these results)