A0A060YBU0_ONCMY Loading...

Actin-related protein 10

Part of the dynactin complex that activates the molecular motor dynein for ultra-processive transport along microtubules.

AlphaFold DB (A0A674AH24), UniProt , Accession A0A060YBU0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110529857, Length 417 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
1M33.1Very low43.1Very low231 Ų231125.2 Ų125.2100%1.13878%0.779SS**  0128.30-69.6-165.5-124.900107.7L3M1-L3 PolarHBondContact O-N 3.13Å
2P41.5Very low44.7Very low109 Ų109123.1 Ų123.171%0.70875%0.753SS**  trans-73.7125.4174.75.211.1000108.8F4P2-F4 PolarHBondContact O-N 3.46Å
3L43.4Very low47.3Very low158 Ų158120.7 Ų120.783%0.82773%0.726SS**SBendtrans-67.911.1-171.8-85.8152.9000116.1M1M1-L3 PolarHBondContact O-N 3.13Å
4F49.7Very low50.2Low161 Ų161116.2 Ų116.271%0.70670%0.7SS**  trans-14243.8-162.9-64.8-80.4000113.7P2 G6P2-F4 PolarHBondContact O-N 3.46Å; F4-G6 VanDerWaalsContact C-N 3.34Å; F4-G6 PolarHBondContact O-N 2.99Å; F4-G6 VanDerWaalsContact O-N 3.12Å
5E45.6Very low52.9Low151 Ų151108.8 Ų108.871%0.70666%0.656SS**  trans-72.495.9156.6-102.1174.7174.800107.9L7E5-L7 PolarHBondContact O-N 3.43Å
6G43.8Very low55.4Low61 Ų61102 Ų10263%0.62962%0.615SS**  trans-54.4136161.800000108.8F4 G8F4-G6 VanDerWaalsContact C-N 3.34Å; F4-G6 PolarHBondContact O-N 2.99Å; F4-G6 VanDerWaalsContact O-N 3.12Å; G6-G8 VanDerWaalsContact C-N 3.25Å; G6-G8 PolarHBondContact O-N 3.29Å
7L43.2Very low57.8Low187 Ų18796 Ų9698%0.97958%0.579SS**  trans-56.582.1178.7-80140.1000111.3E5E5-L7 PolarHBondContact O-N 3.43Å
8G41.4Very low59.9Low52 Ų5290.8 Ų90.854%0.53655%0.547SS..  trans-77.6114.4163.100000108.7G6 G10G6-G8 VanDerWaalsContact C-N 3.25Å; G6-G8 PolarHBondContact O-N 3.29Å; G8-G10 PolarHBondContact O-N 2.73Å; G8-G10 VanDerWaalsContact O-N 3.13Å
9S41.8Very low61.7Low124 Ų12486.8 Ų86.887%0.86752%0.523SS*.SBendtrans-68.6104.8168.6173.50000108.8
10G42.2Very low63.2Low46 Ų4683.8 Ų83.847%0.47450%0.503SS..SBendtrans114.1124.8-178.800000110.1G8 E12G8-G10 PolarHBondContact O-N 2.73Å; G8-G10 VanDerWaalsContact O-N 3.13Å; G10-E12 PolarHBondContact O-N 2.7Å
11G48.6Very low64.4Low97 Ų9780.8 Ų80.8100%149%0.489SS*.SBendtrans-63.326.5-168.900000117.7
12E62.5Low67Low100 Ų10070.8 Ų70.847%0.46744%0.443SS..PPolyproline II helixtrans-92.9130171.1-67.1-162.6148.100111.1G10 R88G10-E12 PolarHBondContact O-N 2.7Å; E12-R88 IonicContact OE1-CZ 3.05Å; E12-R88 IonicContact OE1-NH2 3.72Å; E12-R88 PolarHBondContact OE1-NH2 2.86Å; E12-R88 IonicContact OE2-NH2 2.66Å
13K78.6Confident69.3Low92 Ų9266.3 Ų66.340%0.442%0.415SS..PPolyproline II helixtrans-68.7135.2177.2-69.7173.8175.2169.70110.2A15 D86 R87K13-A15 PolarHBondContact O-N 2.71Å; K13-D86 HydrophobicContact CD-CB 3.74Å; K13-D86 WeakPolarHBondContact CD-O 3.48Å; K13-D86 IonicContact NZ-OD1 2.86Å; K13-D86 IonicContact NZ-OD2 3.91Å; K13-D86 PolarHBondContact NZ-OD2 3.12Å; K13-R87 HydrophobicContact CB-CG 3.82Å; K13-R87 HydrophobicContact CD-CG 4.38Å
14T86.9Confident71.7Confident58 Ų5862.5 Ų62.536%0.35639%0.391SS..PPolyproline II helixtrans-52.4135.3176.752.20000112.5R87T14-R87 WeakPolarHBondContact O-CD 3.23Å; T14-R87 PolarHBondContact O-NH1 3.06Å; T14-R87 PolarHBondContact OG1-NH1 2.81Å
15A90.7Very high73.8Confident5 Ų554.8 Ų54.84%0.04136%0.357CS..PPolyproline II helixtrans-68.9151.3178.700000111.6K13 F29 A30 R88 L368K13-A15 PolarHBondContact O-N 2.71Å; A15-F29 WeakPolarHBondContact O-CA 3.35Å; A15-A30 HydrophobicContact CB-CB 4.05Å; A15-A30 PolarHBondContact O-N 3.24Å; A15-R88 CarbonylContact C-O 3.57Å; A15-R88 WeakPolarHBondContact CA-O 3.47Å; A15-R88 HydrophobicContact CB-CB 4.33Å; A15-L368 HydrophobicContact CB-CD1 3.9Å
16V94Very high76.1Confident0 Ų048.1 Ų48.10%033%0.326CS..EExtended strand (participates in β ladder)trans-91.1133.9174.1176.10000108.9I18 F29 Y76 L80 V82 R87 R88 V89 V90V16-I18 HydrophobicContact CG1-CD1 4.21Å; V16-I18 HydrophobicContact CG1-CG1 3.89Å; V16-F29 HydrophobicContact CG2-CD1 4.33Å; V16-F29 HydrophobicContact CG2-CE1 4.12Å; V16-Y76 HydrophobicContact CG1-CE1 4.4Å; V16-Y76 HydrophobicContact CG2-CE1 4.07Å; V16-L80 HydrophobicContact CG1-CD1 3.41Å; V16-L80 VanDerWaalsContact CG1-CD1 3.41Å; V16-L80 HydrophobicContact CG2-CD1 4.3Å; V16-V82 HydrophobicContact CG2-CG2 4.45Å; V16-R87 HydrophobicContact CG2-CB 4.3Å; V16-R88 PolarHBondContact N-O 2.98Å; V16-V89 CarbonylContact O-C 3.6Å; V16-V89 WeakPolarHBondContact O-CA 3.33Å; V16-V90 PolarHBondContact O-N 3.37Å
17V95.3Very high78.6Confident0 Ų045.2 Ų45.20%030%0.296CS..EExtended strand (participates in β ladder)trans-114.2124.4178.7-175.20000109.4C27 G28 A30 V90 I92 W355 A359V17-C27 WeakPolarHBondContact O-CA 3.26Å; V17-G28 PolarHBondContact N-O 3.47Å; V17-G28 PolarHBondContact O-N 3.45Å; V17-G28 VanDerWaalsContact O-N 3.14Å; V17-A30 HydrophobicContact CG2-CB 4.08Å; V17-V90 WeakPolarHBondContact CA-O 3.34Å; V17-V90 HydrophobicContact CG2-CB 4.29Å; V17-I92 HydrophobicContact CG1-CD1 3.7Å; V17-I92 HydrophobicContact CG1-CG1 4.34Å; V17-W355 HydrophobicContact CB-CZ2 4.19Å; V17-W355 HydrophobicContact CG1-CG 4.49Å; V17-W355 PolarHBondContact O-NE1 3.22Å; V17-A359 HydrophobicContact CG2-CB 4.5Å
18I95.5Very high81Confident2 Ų236.3 Ų36.31%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-126.2118.8-177.6-51.4178.3000108.5V16 L20 T25 K26 L75 Y76 V89 V90 I91 I92 F109V16-I18 HydrophobicContact CG1-CD1 4.21Å; V16-I18 HydrophobicContact CG1-CG1 3.89Å; I18-L20 HydrophobicContact CG2-CD2 3.83Å; I18-L20 HydrophobicContact CG2-CG 3.86Å; I18-T25 HydrophobicContact CG2-CG2 3.99Å; I18-K26 WeakPolarHBondContact CA-O 3.42Å; I18-L75 HydrophobicContact CD1-CD1 4.38Å; I18-L75 HydrophobicContact CD1-CD2 3.96Å; I18-L75 HydrophobicContact CG1-CD2 4.36Å; I18-L75 HydrophobicContact CG2-CD1 4.01Å; I18-Y76 HydrophobicContact CD1-CE2 4.25Å; I18-V89 HydrophobicContact CD1-CG1 3.91Å; I18-V89 HydrophobicContact CG1-CG1 4.31Å; I18-V90 PolarHBondContact N-O 2.86Å; I18-I91 CarbonylContact O-C 3.59Å; I18-I91 WeakPolarHBondContact O-CA 3.28Å; I18-I92 PolarHBondContact O-N 2.78Å; I18-F109 HydrophobicContact CD1-CE1 4.31Å; I18-F109 HydrophobicContact CD1-CZ 3.87Å
19D94.9Very high83.5Confident16 Ų1634.4 Ų34.49%0.08623%0.226CC..EExtended strand (participates in β ladder)trans-102.9104.6170.3173.812.4000108.3G21 T25 K26 I92 W355D19-G21 PolarHBondContact O-N 3.46Å; D19-T25 CarbonylContact O-C 3.58Å; D19-T25 VanDerWaalsContact O-CA 3.25Å; D19-T25 WeakPolarHBondContact O-CA 3.22Å; D19-K26 HydrophobicContact CB-CB 4.13Å; D19-K26 PolarHBondContact N-O 3.26Å; D19-K26 PolarHBondContact O-N 3.34Å; D19-K26 IonicContact OD2-NZ 3.26Å; D19-K26 PolarHBondContact OD2-NZ 3.22Å; D19-I92 HydrophobicContact CB-CB 4.21Å; D19-I92 HydrophobicContact CB-CD1 4.17Å; D19-W355 HydrophobicContact CB-CB 4.24Å; D19-W355 HydrophobicContact CB-CG 4.47Å
20L91.4Very high85.9Confident26 Ų2628.9 Ų28.914%0.13619%0.188CC..EExtended strand (participates in β ladder)trans-90.499.9-178.1-69.6172.1000109.9I18 T25 F71 I91 I92 F101 L105I18-L20 HydrophobicContact CG2-CD2 3.83Å; I18-L20 HydrophobicContact CG2-CG 3.86Å; L20-T25 HydrophobicContact CD2-CG2 3.81Å; L20-F71 HydrophobicContact CD2-CD1 4.47Å; L20-F71 HydrophobicContact CD2-CE1 3.81Å; L20-I91 HydrophobicContact CD1-CG2 4.15Å; L20-I92 PolarHBondContact N-O 3.37Å; L20-F101 HydrophobicContact CD1-CE1 4.47Å; L20-L105 HydrophobicContact CD1-CD1 3.99Å; L20-L105 HydrophobicContact CD1-CD2 3.45Å; L20-L105 VanDerWaalsContact CD1-CD2 3.45Å; L20-L105 HydrophobicContact CD1-CG 4.4Å
21G88.3Confident88Confident20 Ų2029.4 Ų29.421%0.20619%0.194CC..  trans-99160.9172.600000112.8D19 A23 Y24 S41 V55D19-G21 PolarHBondContact O-N 3.46Å; G21-A23 VanDerWaalsContact C-N 3.34Å; G21-A23 PolarHBondContact O-N 3.26Å; G21-Y24 VanDerWaalsContact CA-O 3.24Å; G21-Y24 WeakPolarHBondContact CA-O 3.1Å; G21-Y24 PolarHBondContact N-O 2.75Å; G21-Y24 VanDerWaalsContact N-O 3.16Å; G21-S41 VanDerWaalsContact O-CB 3.27Å; G21-S41 WeakPolarHBondContact O-CB 3.44Å; G21-S41 PolarHBondContact O-OG 2.69Å; G21-V55 WeakPolarHBondContact O-CG2 3.26Å
22A88.1Confident90Very high21 Ų2127.1 Ų27.117%0.17416%0.157CC..SBendtrans-64.8-34.117800000113.9Y143 T144A22-Y143 HydrophobicContact CB-CD1 3.96Å; A22-T144 WeakPolarHBondContact CB-OG1 3.48Å
23A89.8Confident91.2Very high15 Ų1528.9 Ų28.912%0.12417%0.174CC..SBendtrans-100.5-46.4177.900000112.6G21 P40 S41 Y143G21-A23 VanDerWaalsContact C-N 3.34Å; G21-A23 PolarHBondContact O-N 3.26Å; A23-P40 WeakPolarHBondContact O-CA 3.48Å; A23-S41 PolarHBondContact O-N 2.89Å; A23-Y143 HydrophobicContact CB-CD1 4.21Å; A23-Y143 HydrophobicContact CB-CD2 3.69Å; A23-Y143 HydrophobicContact CB-CE2 4.29Å; A23-Y143 HydrophobicContact CB-CG 3.65Å
24Y92.6Very high91.8Very high78 Ų7825.8 Ų25.831%0.30617%0.168SC..EExtended strand (participates in β ladder)trans-129.3140.7-176.6-67.9-84.9000111.4G21 I38 I39 E208G21-Y24 VanDerWaalsContact CA-O 3.24Å; G21-Y24 WeakPolarHBondContact CA-O 3.1Å; G21-Y24 PolarHBondContact N-O 2.75Å; G21-Y24 VanDerWaalsContact N-O 3.16Å; Y24-I38 HydrophobicContact CD1-CG2 4.07Å; Y24-I38 HydrophobicContact CG-CG2 4.38Å; Y24-I39 CarbonylContact C-O 3.49Å; Y24-I39 WeakPolarHBondContact CA-O 3.29Å; Y24-E208 WeakPolarHBondContact CE2-OE2 3.44Å; Y24-E208 VanDerWaalsContact CZ-OE2 3.32Å; Y24-E208 VanDerWaalsContact OH-CD 3.23Å; Y24-E208 PolarHBondContact OH-OE2 3.08Å
25T94.6Very high92.1Very high0 Ų024.3 Ų24.30%016%0.16CC..EExtended strand (participates in β ladder)trans-107.5133.2170.2-67.30000109.5I18 D19 L20 I38 I39 S41 F71 L75I18-T25 HydrophobicContact CG2-CG2 3.99Å; D19-T25 CarbonylContact O-C 3.58Å; D19-T25 VanDerWaalsContact O-CA 3.25Å; D19-T25 WeakPolarHBondContact O-CA 3.22Å; L20-T25 HydrophobicContact CD2-CG2 3.81Å; T25-I38 WeakPolarHBondContact O-CA 3.45Å; T25-I39 PolarHBondContact N-O 3.3Å; T25-I39 PolarHBondContact O-N 2.83Å; T25-S41 PolarHBondContact N-OG 3.49Å; T25-S41 VanDerWaalsContact N-OG 3.13Å; T25-S41 PolarHBondContact OG1-OG 3.43Å; T25-F71 HydrophobicContact CG2-CE1 3.96Å; T25-F71 HydrophobicContact CG2-CZ 3.93Å; T25-F71 WeakPolarHBondContact OG1-CZ 3.22Å; T25-L75 HydrophobicContact CG2-CD1 3.9Å
26K95Very high92.2Very high11 Ų1129 Ų295%0.04818%0.176CC..EExtended strand (participates in β ladder)trans-111.1130.9177.7-44.5177.1-165.674.30108.7I18 D19 P35 F37 I38 N351 W355I18-K26 WeakPolarHBondContact CA-O 3.42Å; D19-K26 HydrophobicContact CB-CB 4.13Å; D19-K26 PolarHBondContact N-O 3.26Å; D19-K26 PolarHBondContact O-N 3.34Å; D19-K26 IonicContact OD2-NZ 3.26Å; D19-K26 PolarHBondContact OD2-NZ 3.22Å; K26-P35 HydrophobicContact CB-CB 3.99Å; K26-P35 HydrophobicContact CB-CG 4.32Å; K26-F37 WeakPolarHBondContact CA-O 3.33Å; K26-I38 HydrophobicContact CB-CG1 4.45Å; K26-I38 HydrophobicContact CG-CG1 4.14Å; K26-I38 HydrophobicContact CG-CG2 4.23Å; K26-N351 VanDerWaalsContact CE-CG 3.46Å; K26-N351 WeakPolarHBondContact CE-O 3.23Å; K26-N351 WeakPolarHBondContact CE-OD1 3.41Å; K26-N351 PolarHBondContact NZ-O 3.41Å; K26-N351 PolarHBondContact NZ-OD1 3.02Å; K26-N351 VanDerWaalsContact NZ-OD1 3.16Å; K26-W355 HydrophobicContact CB-CB 4.5Å; K26-W355 HydrophobicContact CB-CG 4.2Å; K26-W355 HydrophobicContact CD-CB 4.37Å
27C94.6Very high92.2Very high0 Ų032.7 Ų32.70%019%0.193CC..EExtended strand (participates in β ladder)trans-136.6151.1179.669.20000112.5V17 R36 F37 L75 L80V17-C27 WeakPolarHBondContact O-CA 3.26Å; C27-R36 PolarHBondContact O-N 2.92Å; C27-F37 PolarHBondContact N-O 2.78Å; C27-F37 PolarHBondContact O-N 3.15Å; C27-F37 VanDerWaalsContact O-N 3.12Å; C27-L75 HydrophobicContact CB-CD1 3.99Å; C27-L75 HydrophobicContact CB-CD2 4.04Å; C27-L75 HydrophobicContact CB-CG 4.11Å; C27-L80 HydrophobicContact CB-CD2 4.34Å
28G94.6Very high92.1Very high0 Ų036.5 Ų36.50%021%0.212CC..EExtended strand (participates in β ladder)trans176-158.4177.400000110.9V17V17-G28 PolarHBondContact N-O 3.47Å; V17-G28 PolarHBondContact O-N 3.45Å; V17-G28 VanDerWaalsContact O-N 3.14Å
29F93.4Very high92.1Very high11 Ų1137 Ų375%0.04822%0.215CC..EExtended strand (participates in β ladder)trans-109.8151-178.1-61.5-86.9000112.1A15 V16 E32 L80 V82A15-F29 WeakPolarHBondContact O-CA 3.35Å; V16-F29 HydrophobicContact CG2-CD1 4.33Å; V16-F29 HydrophobicContact CG2-CE1 4.12Å; F29-E32 HydrophobicContact CB-CG 4.18Å; F29-E32 PolarHBondContact N-OE2 2.82Å; F29-E32 VanDerWaalsContact N-OE2 3.08Å; F29-E32 PolarHBondContact O-N 3.47Å; F29-L80 HydrophobicContact CE2-CD2 4.22Å; F29-L80 HydrophobicContact CZ-CB 4.44Å; F29-L80 HydrophobicContact CZ-CD2 4.4Å; F29-V82 HydrophobicContact CE1-CG1 4.08Å; F29-V82 HydrophobicContact CE1-CG2 4.17Å; F29-V82 HydrophobicContact CZ-CG1 3.76Å; F29-V82 HydrophobicContact CZ-CG2 4.15Å
30A91.6Very high91.9Very high9 Ų939.3 Ų39.37%0.07423%0.231CC..THydrogen-bonded Turntrans-60.8142170.100000111A15 V17 E32 G362A15-A30 HydrophobicContact CB-CB 4.05Å; A15-A30 PolarHBondContact O-N 3.24Å; V17-A30 HydrophobicContact CG2-CB 4.08Å; A30-E32 VanDerWaalsContact C-N 3.31Å; A30-G362 VanDerWaalsContact CB-C 3.44Å; A30-G362 WeakPolarHBondContact CB-O 3.33Å
31G87.7Confident91.9Very high57 Ų5738.1 Ų38.159%0.58823%0.225SC*.THydrogen-bonded Turntrans84.2-6.4-176.200000115.3A359G31-A359 PolarHBondContact N-O 3.45Å
32E90.4Very high92Very high49 Ų4939.1 Ų39.123%0.22922%0.224CC..  trans-81.9149.3173.7-63.2-176.5148.300111.7F29 A30 G34 R36 W355F29-E32 HydrophobicContact CB-CG 4.18Å; F29-E32 PolarHBondContact N-OE2 2.82Å; F29-E32 VanDerWaalsContact N-OE2 3.08Å; F29-E32 PolarHBondContact O-N 3.47Å; A30-E32 VanDerWaalsContact C-N 3.31Å; E32-G34 VanDerWaalsContact C-N 3.25Å; E32-G34 PolarHBondContact O-N 2.98Å; E32-R36 IonicContact OE1-CZ 2.71Å; E32-R36 IonicContact OE1-NE 3.13Å; E32-R36 PolarHBondContact OE1-NE 2.95Å; E32-R36 IonicContact OE1-NH2 3.87Å; E32-R36 PolarHBondContact OE1-NH2 3.35Å; E32-R36 VanDerWaalsContact OE2-CG 3.28Å; E32-R36 WeakPolarHBondContact OE2-CG 3.39Å; E32-R36 IonicContact OE2-NE 3.64Å; E32-R36 PolarHBondContact OE2-NE 3.33Å; E32-W355 HydrophobicContact CB-CH2 4.19Å
33T87.4Confident92Very high136 Ų13638.5 Ų38.583%0.83422%0.218SC*.SBendtrans-76.5-9.5-17755.30000113.9
34G91Very high91.8Very high27 Ų2744.8 Ų44.828%0.27825%0.245SC..SBendtrans-168.4161.7179.400000111.4E32 W355E32-G34 VanDerWaalsContact C-N 3.25Å; E32-G34 PolarHBondContact O-N 2.98Å; G34-W355 VanDerWaalsContact CA-CZ3 3.43Å; G34-W355 WeakPolarHBondContact O-CH2 3.46Å; G34-W355 VanDerWaalsContact O-CZ3 3.31Å; G34-W355 WeakPolarHBondContact O-CZ3 3.41Å
35P93.8Very high91.2Very high27 Ų2743.3 Ų43.318%0.17524%0.24CC..  trans-65.3142-179.327.4-33.5000110.1K26 I38 C352 W355K26-P35 HydrophobicContact CB-CB 3.99Å; K26-P35 HydrophobicContact CB-CG 4.32Å; P35-I38 HydrophobicContact CB-CG1 4.42Å; P35-I38 HydrophobicContact CG-CD1 4.04Å; P35-I38 HydrophobicContact CG-CG1 3.94Å; P35-C352 HydrophobicContact CG-CB 4.48Å; P35-W355 HydrophobicContact CB-CD2 3.75Å; P35-W355 HydrophobicContact CB-CE3 4.09Å; P35-W355 HydrophobicContact CB-CG 4.19Å; P35-W355 HydrophobicContact CB-CH2 4.47Å; P35-W355 HydrophobicContact CB-CZ2 4.16Å; P35-W355 HydrophobicContact CB-CZ3 4.46Å; P35-W355 HydrophobicContact CG-CD2 4.28Å; P35-W355 HydrophobicContact CG-CE3 4.32Å
36R92.1Very high90.3Very high103 Ų10349.3 Ų49.339%0.38928%0.278SS..SBendtrans-71.2-39.8175.5-70.1-167175.2-163.51.2111.7C27 E32C27-R36 PolarHBondContact O-N 2.92Å; E32-R36 IonicContact OE1-CZ 2.71Å; E32-R36 IonicContact OE1-NE 3.13Å; E32-R36 PolarHBondContact OE1-NE 2.95Å; E32-R36 IonicContact OE1-NH2 3.87Å; E32-R36 PolarHBondContact OE1-NH2 3.35Å; E32-R36 VanDerWaalsContact OE2-CG 3.28Å; E32-R36 WeakPolarHBondContact OE2-CG 3.39Å; E32-R36 IonicContact OE2-NE 3.64Å; E32-R36 PolarHBondContact OE2-NE 3.33Å
37F94.3Very high89.3Confident78 Ų7853 Ų5334%0.34232%0.319SS..EExtended strand (participates in β ladder)trans-133.9138.5-178.2-56.9-79.7000110.3K26 C27 I39 H79K26-F37 WeakPolarHBondContact CA-O 3.33Å; C27-F37 PolarHBondContact N-O 2.78Å; C27-F37 PolarHBondContact O-N 3.15Å; C27-F37 VanDerWaalsContact O-N 3.12Å; F37-I39 HydrophobicContact CB-CG2 4.32Å; F37-H79 HydrophobicContact CB-CB 4.48Å; F37-H79 AromaticContact CD1-ND1 3.84Å; F37-H79 HydrophobicContact CD2-CB 3.77Å; F37-H79 HydrophobicContact CE2-CB 4.12Å; F37-H79 WeakPolarHBondContact CE2-O 3.34Å; F37-H79 HydrophobicContact CG-CB 4.04Å; F37-H79 AromaticContact CG-ND1 3.92Å
38I94.3Very high88.5Confident80 Ų8057.7 Ų57.741%0.4134%0.342SS..EExtended strand (participates in β ladder)trans-120.5112.7168.4-55.9179.6000104.8Y24 T25 K26 P35Y24-I38 HydrophobicContact CD1-CG2 4.07Å; Y24-I38 HydrophobicContact CG-CG2 4.38Å; T25-I38 WeakPolarHBondContact O-CA 3.45Å; K26-I38 HydrophobicContact CB-CG1 4.45Å; K26-I38 HydrophobicContact CG-CG1 4.14Å; K26-I38 HydrophobicContact CG-CG2 4.23Å; P35-I38 HydrophobicContact CB-CG1 4.42Å; P35-I38 HydrophobicContact CG-CD1 4.04Å; P35-I38 HydrophobicContact CG-CG1 3.94Å
39I93.6Very high87.2Confident12 Ų1267 Ų676%0.06239%0.385CS..EExtended strand (participates in β ladder)trans-119.4147.9-175.160.9176.9000109.6Y24 T25 F37 F71 M74Y24-I39 CarbonylContact C-O 3.49Å; Y24-I39 WeakPolarHBondContact CA-O 3.29Å; T25-I39 PolarHBondContact N-O 3.3Å; T25-I39 PolarHBondContact O-N 2.83Å; F37-I39 HydrophobicContact CB-CG2 4.32Å; I39-F71 HydrophobicContact CD1-CE2 3.97Å; I39-F71 HydrophobicContact CD1-CZ 3.9Å; I39-F71 HydrophobicContact CG1-CZ 4.34Å; I39-M74 HydrophobicContact CD1-CE 4Å; I39-M74 HydrophobicContact CD1-SD 3.96Å
40P91.8Very high86.3Confident66 Ų6674.2 Ų74.243%0.42942%0.419SS..EExtended strand (participates in β ladder)trans-60.1140.2169.926.6-33.4000109.5A23 E42A23-P40 WeakPolarHBondContact O-CA 3.48Å; P40-E42 HydrophobicContact CB-CG 4.32Å; P40-E42 PolarHBondContact O-N 2.88Å
41S91.1Very high85.9Confident0 Ų076.4 Ų76.40%043%0.434CS..SBendtrans-77.850.7179.4-66.30000111.4G21 A23 T25 V54G21-S41 VanDerWaalsContact O-CB 3.27Å; G21-S41 WeakPolarHBondContact O-CB 3.44Å; G21-S41 PolarHBondContact O-OG 2.69Å; A23-S41 PolarHBondContact O-N 2.89Å; T25-S41 PolarHBondContact N-OG 3.49Å; T25-S41 VanDerWaalsContact N-OG 3.13Å; T25-S41 PolarHBondContact OG1-OG 3.43Å; S41-V54 WeakPolarHBondContact O-CG2 3.4Å; S41-V54 PolarHBondContact O-N 2.77Å
42E90.6Very high85.8Confident42 Ų4275.1 Ų75.120%0.19641%0.413CS..EExtended strand (participates in β ladder)trans-132.3148.3-172.8-53-167.9163.600111P40 S51 I52 K53P40-E42 HydrophobicContact CB-CG 4.32Å; P40-E42 PolarHBondContact O-N 2.88Å; E42-S51 WeakPolarHBondContact OE2-CB 3.45Å; E42-S51 PolarHBondContact OE2-OG 2.92Å; E42-I52 CarbonylContact C-O 3.5Å; E42-I52 VanDerWaalsContact CA-O 3.29Å; E42-I52 WeakPolarHBondContact CA-O 3.45Å; E42-K53 HydrophobicContact CG-CG 4.2Å; E42-K53 WeakPolarHBondContact OE1-CE 3.31Å
43I88.7Confident85.6Confident7 Ų775.3 Ų75.34%0.03641%0.413CS..EExtended strand (participates in β ladder)trans-118.9142.5173.754.6171.1000109.9S51 I52 V54 N67 F71I43-S51 WeakPolarHBondContact O-CA 2.97Å; I43-I52 HydrophobicContact CG1-CB 4.04Å; I43-I52 WeakPolarHBondContact CG1-O 3.46Å; I43-I52 PolarHBondContact N-O 3.23Å; I43-I52 PolarHBondContact O-N 2.84Å; I43-V54 HydrophobicContact CB-CG2 4.34Å; I43-V54 HydrophobicContact CG1-CG2 4.15Å; I43-V54 HydrophobicContact CG2-CG2 3.64Å; I43-N67 HydrophobicContact CD1-CB 3.75Å; I43-F71 HydrophobicContact CG2-CB 3.74Å; I43-F71 HydrophobicContact CG2-CD2 3.86Å; I43-F71 HydrophobicContact CG2-CG 4.29Å
44Q85.3Confident85.6Confident148 Ų14868.9 Ų68.969%0.69237%0.374SS*.  trans-108.3106.6173.3-170.1178.123.300108.6
45K79.4Confident85.2Confident46 Ų4668.4 Ų68.420%0.237%0.365CS..  trans-77.4139.5176.7-72.7-175.3-178.8172.90110.4G47 Q48 I52 N67K45-G47 PolarHBondContact O-N 2.89Å; K45-G47 VanDerWaalsContact O-N 3.11Å; K45-Q48 PolarHBondContact O-N 3.24Å; K45-Q48 VanDerWaalsContact O-N 3.1Å; K45-I52 HydrophobicContact CD-CD1 3.91Å; K45-I52 HydrophobicContact CG-CD1 4.34Å; K45-N67 VanDerWaalsContact CE-OD1 3.26Å; K45-N67 WeakPolarHBondContact CE-OD1 3.32Å; K45-N67 PolarHBondContact NZ-OD1 2.61Å
46P75.8Confident84.7Confident126 Ų12670.4 Ų70.482%0.81837%0.372SS*.THydrogen-bonded Turntrans-60.6118175.524-31.6000109.9
47G74.1Confident84.1Confident88 Ų8870 Ų7091%0.90737%0.371SS*.THydrogen-bonded Turntrans101.6-4.9-179.200000115.6K45K45-G47 PolarHBondContact O-N 2.89Å; K45-G47 VanDerWaalsContact O-N 3.11Å
48Q77.5Confident83.4Confident100 Ų10074.3 Ų74.347%0.46740%0.398SS..  trans-107.5133.8169.8-80176.7-30.300111K45K45-Q48 PolarHBondContact O-N 3.24Å; K45-Q48 VanDerWaalsContact O-N 3.1Å
49Q67.8Low83Confident195 Ų19571.8 Ų71.891%0.91139%0.385SS*.SBendtrans-83.1-20.9-178.1-160.7165.82.400112.6
50Q75.1Confident82.9Confident162 Ų16275.7 Ų75.776%0.75741%0.406SS*.SBendtrans-101.2139.4175.6-70.7-179.5100110.9
51S82Confident82.7Confident56 Ų5675.9 Ų75.939%0.39241%0.406SS..  trans-69.8143.6170.854.90000110.4E42 I43E42-S51 WeakPolarHBondContact OE2-CB 3.45Å; E42-S51 PolarHBondContact OE2-OG 2.92Å; I43-S51 WeakPolarHBondContact O-CA 2.97Å
52I85.3Confident82.6Confident30 Ų3082.9 Ų82.915%0.15444%0.439CS..EExtended strand (participates in β ladder)trans-104.3125.2176.9-62.2165.1000108.3E42 I43 K45 V54E42-I52 CarbonylContact C-O 3.5Å; E42-I52 VanDerWaalsContact CA-O 3.29Å; E42-I52 WeakPolarHBondContact CA-O 3.45Å; I43-I52 HydrophobicContact CG1-CB 4.04Å; I43-I52 WeakPolarHBondContact CG1-O 3.46Å; I43-I52 PolarHBondContact N-O 3.23Å; I43-I52 PolarHBondContact O-N 2.84Å; K45-I52 HydrophobicContact CD-CD1 3.91Å; K45-I52 HydrophobicContact CG-CD1 4.34Å; I52-V54 PolarHBondContact O-N 2.72Å
53K87.5Confident82.5Confident52 Ų5285.2 Ų85.223%0.22645%0.45CS..EExtended strand (participates in β ladder)trans-64.4131.6171.4-63-169.3179-174.10110.6E42 Q56 Y143 E204E42-K53 HydrophobicContact CG-CG 4.2Å; E42-K53 WeakPolarHBondContact OE1-CE 3.31Å; K53-Q56 WeakPolarHBondContact O-CG 3.22Å; K53-Q56 PolarHBondContact O-NE2 3.36Å; K53-Y143 PolarHBondContact NZ-OH 3.43Å; K53-E204 WeakPolarHBondContact CE-OE2 3.2Å; K53-E204 IonicContact NZ-OE1 2.63Å; K53-E204 PolarHBondContact NZ-OE1 2.83Å; K53-E204 IonicContact NZ-OE2 3.24Å; K53-E204 PolarHBondContact NZ-OE2 3.24Å
54V85.8Confident82.6Confident1 Ų185 Ų851%0.00645%0.449CS..SBendtrans-80.1-39.6-174.1176.40000111.9S41 I43 I52 Q56 L68 F71S41-V54 WeakPolarHBondContact O-CG2 3.4Å; S41-V54 PolarHBondContact O-N 2.77Å; I43-V54 HydrophobicContact CB-CG2 4.34Å; I43-V54 HydrophobicContact CG1-CG2 4.15Å; I43-V54 HydrophobicContact CG2-CG2 3.64Å; I52-V54 PolarHBondContact O-N 2.72Å; V54-Q56 PolarHBondContact O-N 3.36Å; V54-Q56 VanDerWaalsContact O-N 3.1Å; V54-L68 HydrophobicContact CG1-CD2 3.68Å; V54-F71 HydrophobicContact CB-CD2 4.49Å; V54-F71 HydrophobicContact CB-CG 4.32Å; V54-F71 HydrophobicContact CG1-CB 3.91Å; V54-F71 HydrophobicContact CG1-CD1 3.97Å; V54-F71 HydrophobicContact CG1-CG 3.89Å; V54-F71 HydrophobicContact CG2-CB 3.89Å; V54-F71 HydrophobicContact CG2-CD1 4.49Å; V54-F71 HydrophobicContact CG2-CD2 3.63Å; V54-F71 HydrophobicContact CG2-CE2 4.26Å; V54-F71 HydrophobicContact CG2-CG 3.76Å
55V82.8Confident82.9Confident17 Ų1781 Ų8110%0.10343%0.428CS..  trans-84.489.2-178.9-1740000108.9G21 Y57 F101G21-V55 WeakPolarHBondContact O-CG2 3.26Å; V55-Y57 HydrophobicContact CG1-CE1 3.84Å; V55-F101 HydrophobicContact CG1-CE2 4.42Å; V55-F101 HydrophobicContact CG1-CZ 4.36Å; V55-F101 HydrophobicContact CG2-CZ 4.36Å
56Q83.1Confident83.6Confident69 Ų6981.6 Ų81.632%0.32244%0.438SS..  trans-125.1138.3175.2-61.9-176.77.200110K53 V54 I59K53-Q56 WeakPolarHBondContact O-CG 3.22Å; K53-Q56 PolarHBondContact O-NE2 3.36Å; V54-Q56 PolarHBondContact O-N 3.36Å; V54-Q56 VanDerWaalsContact O-N 3.1Å; Q56-I59 HydrophobicContact CB-CG2 4.29Å
57Y80.8Confident84.3Confident94 Ų9475.7 Ų75.737%0.36940%0.399SS..SBendtrans-102.5-24.3-174.3-54.7-53.4000113.8V55 P98 F101V55-Y57 HydrophobicContact CG1-CE1 3.84Å; Y57-P98 HydrophobicContact CD1-CG 3.65Å; Y57-P98 HydrophobicContact CE1-CG 4.2Å; Y57-P98 HydrophobicContact CG-CG 3.91Å; Y57-F101 HydrophobicContact CD1-CB 4.4Å; Y57-F101 HydrophobicContact CE1-CG 4.47Å
58N80.1Confident85.2Confident169 Ų16971.5 Ų71.590%0.90436%0.356SS*.SBendtrans-110.355.6-174.2-63.8-13.6000111.5
59I85.4Confident86Confident28 Ų2870.6 Ų70.614%0.14435%0.351CS..SBendtrans-131.2160.3-175.8-168.8172000110.5Q56 E63 L64Q56-I59 HydrophobicContact CB-CG2 4.29Å; I59-E63 HydrophobicContact CD1-CB 4.03Å; I59-E63 VanDerWaalsContact CD1-CD 3.46Å; I59-E63 HydrophobicContact CD1-CG 3.63Å; I59-E63 HydrophobicContact CG1-CB 4.09Å; I59-E63 HydrophobicContact CG1-CG 4.18Å; I59-L64 HydrophobicContact CG2-CB 3.75Å; I59-L64 HydrophobicContact CG2-CD1 4.09Å; I59-L64 HydrophobicContact CG2-CD2 4.33Å; I59-L64 HydrophobicContact CG2-CG 4.26Å
60N90.4Very high87.2Confident93 Ų9364.5 Ų64.550%0.49732%0.322SS..  trans-63.8145.1173.1-171.821000111.4E62 E63 L64N60-E62 VanDerWaalsContact C-N 3.33Å; N60-E62 PolarHBondContact O-N 3.04Å; N60-E63 HydrophobicContact CB-CB 4.46Å; N60-E63 PolarHBondContact O-N 3.18Å; N60-L64 PolarHBondContact O-N 2.8Å
61T87.8Confident88.1Confident70 Ų7056.8 Ų56.843%0.42929%0.286SS..Hα-helixtrans-61.2-38.8-174.271.50000112.9Y65 H100T61-Y65 VanDerWaalsContact O-CB 3.31Å; T61-Y65 WeakPolarHBondContact O-CB 3.35Å; T61-Y65 PolarHBondContact O-N 3.36Å; T61-H100 WeakPolarHBondContact CG2-CE1 3.49Å
62E89.8Confident88.7Confident147 Ų14754.3 Ų54.369%0.68727%0.268SS*.Hα-helixtrans-71.6-38.9-179.6-63.4-177.8171.500112N60 Y65 S66N60-E62 VanDerWaalsContact C-N 3.33Å; N60-E62 PolarHBondContact O-N 3.04Å; E62-Y65 PolarHBondContact O-N 3.36Å; E62-S66 PolarHBondContact O-N 3.03Å
63E89.3Confident89.1Confident92 Ų9257.6 Ų57.643%0.4328%0.283SS..Hα-helixtrans-69-44.1177.7-171.4177.2-177.900110.6I59 N60 Y65 S66 N67I59-E63 HydrophobicContact CD1-CB 4.03Å; I59-E63 VanDerWaalsContact CD1-CD 3.46Å; I59-E63 HydrophobicContact CD1-CG 3.63Å; I59-E63 HydrophobicContact CG1-CB 4.09Å; I59-E63 HydrophobicContact CG1-CG 4.18Å; N60-E63 HydrophobicContact CB-CB 4.46Å; N60-E63 PolarHBondContact O-N 3.18Å; E63-Y65 VanDerWaalsContact C-N 3.31Å; E63-Y65 PolarHBondContact O-N 2.94Å; E63-S66 PolarHBondContact O-N 3.33Å; E63-N67 WeakPolarHBondContact O-CB 3.48Å; E63-N67 PolarHBondContact O-N 3.04Å; E63-N67 PolarHBondContact O-ND2 3.47Å; E63-N67 PolarHBondContact O-OD1 3.38Å
64L89.8Confident89.3Confident1 Ų157 Ų571%0.00528%0.282CS..Hα-helixtrans-58.2-44.2172.7-175.659000111.6I59 N60 S66 N67 L68 F101 T104I59-L64 HydrophobicContact CG2-CB 3.75Å; I59-L64 HydrophobicContact CG2-CD1 4.09Å; I59-L64 HydrophobicContact CG2-CD2 4.33Å; I59-L64 HydrophobicContact CG2-CG 4.26Å; N60-L64 PolarHBondContact O-N 2.8Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 3.37Å; L64-N67 PolarHBondContact O-N 3.43Å; L64-L68 HydrophobicContact CD1-CD1 4.03Å; L64-L68 HydrophobicContact CD1-CG 4.1Å; L64-L68 HydrophobicContact CG-CD1 3.89Å; L64-L68 HydrophobicContact CG-CG 4.36Å; L64-L68 WeakPolarHBondContact O-CB 3.48Å; L64-L68 VanDerWaalsContact O-CG 3.31Å; L64-L68 WeakPolarHBondContact O-CG 3.4Å; L64-L68 PolarHBondContact O-N 3.37Å; L64-F101 HydrophobicContact CD1-CD2 4.05Å; L64-F101 HydrophobicContact CD1-CE2 4.06Å; L64-F101 HydrophobicContact CD2-CD2 4.01Å; L64-T104 HydrophobicContact CB-CG2 4.25Å; L64-T104 HydrophobicContact CD2-CG2 4.01Å; L64-T104 HydrophobicContact CG-CG2 3.94Å
65Y92.6Very high89.7Confident64 Ų6457 Ų5725%0.25128%0.282SS..Hα-helixtrans-60.1-43.9177.4-177.6-89.5000111.9T61 E62 E63 K69 T104 K107 V108T61-Y65 VanDerWaalsContact O-CB 3.31Å; T61-Y65 WeakPolarHBondContact O-CB 3.35Å; T61-Y65 PolarHBondContact O-N 3.36Å; E62-Y65 PolarHBondContact O-N 3.36Å; E63-Y65 VanDerWaalsContact C-N 3.31Å; E63-Y65 PolarHBondContact O-N 2.94Å; Y65-K69 VanDerWaalsContact O-CB 3.25Å; Y65-K69 WeakPolarHBondContact O-CB 3.14Å; Y65-K69 PolarHBondContact O-N 3.08Å; Y65-T104 HydrophobicContact CD2-CG2 4.34Å; Y65-K107 HydrophobicContact CD2-CB 4.34Å; Y65-K107 HydrophobicContact CE2-CB 4.05Å; Y65-V108 HydrophobicContact CD2-CG2 3.36Å; Y65-V108 HydrophobicContact CE2-CB 4.24Å; Y65-V108 HydrophobicContact CE2-CG2 3.45Å; Y65-V108 VanDerWaalsContact CE2-CG2 3.45Å; Y65-V108 HydrophobicContact CG-CG2 4.02Å
66S92.4Very high90.2Very high60 Ų6056.2 Ų56.242%0.4228%0.277SS..Hα-helixtrans-63.7-47.2177.2-167.20000111.8E62 E63 L64 L68 K69 E70E62-S66 PolarHBondContact O-N 3.03Å; E63-S66 PolarHBondContact O-N 3.33Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 3.37Å; S66-L68 PolarHBondContact O-N 3.4Å; S66-K69 PolarHBondContact O-N 3.27Å; S66-E70 PolarHBondContact O-N 2.98Å
67N91.9Very high90.6Very high1 Ų158 Ų581%0.00528%0.283CS..Hα-helixtrans-63.1-44.8179.8-65.3-11.4000111.6I43 K45 E63 L64 E70 F71I43-N67 HydrophobicContact CD1-CB 3.75Å; K45-N67 VanDerWaalsContact CE-OD1 3.26Å; K45-N67 WeakPolarHBondContact CE-OD1 3.32Å; K45-N67 PolarHBondContact NZ-OD1 2.61Å; E63-N67 WeakPolarHBondContact O-CB 3.48Å; E63-N67 PolarHBondContact O-N 3.04Å; E63-N67 PolarHBondContact O-ND2 3.47Å; E63-N67 PolarHBondContact O-OD1 3.38Å; L64-N67 PolarHBondContact O-N 3.43Å; N67-E70 PolarHBondContact O-N 3.14Å; N67-F71 WeakPolarHBondContact O-CB 3.4Å; N67-F71 PolarHBondContact O-N 3.12Å
68L92.9Very high91Very high1 Ų162.5 Ų62.51%0.00530%0.3CS..Hα-helixtrans-65-39.1176.6-75174.7000112.1V54 L64 S66 F71 I72 F101 T104 L105 V108V54-L68 HydrophobicContact CG1-CD2 3.68Å; L64-L68 HydrophobicContact CD1-CD1 4.03Å; L64-L68 HydrophobicContact CD1-CG 4.1Å; L64-L68 HydrophobicContact CG-CD1 3.89Å; L64-L68 HydrophobicContact CG-CG 4.36Å; L64-L68 WeakPolarHBondContact O-CB 3.48Å; L64-L68 VanDerWaalsContact O-CG 3.31Å; L64-L68 WeakPolarHBondContact O-CG 3.4Å; L64-L68 PolarHBondContact O-N 3.37Å; S66-L68 PolarHBondContact O-N 3.4Å; L68-F71 PolarHBondContact O-N 3.35Å; L68-I72 WeakPolarHBondContact O-CB 3.38Å; L68-I72 VanDerWaalsContact O-CG1 3.23Å; L68-I72 WeakPolarHBondContact O-CG1 3.42Å; L68-I72 PolarHBondContact O-N 2.88Å; L68-F101 HydrophobicContact CD1-CE2 4.3Å; L68-F101 HydrophobicContact CD2-CE2 4.09Å; L68-F101 HydrophobicContact CD2-CZ 4.03Å; L68-T104 HydrophobicContact CD1-CG2 4.12Å; L68-L105 HydrophobicContact CD1-CB 4.29Å; L68-L105 HydrophobicContact CD1-CD1 4.13Å; L68-L105 HydrophobicContact CD2-CD1 3.95Å; L68-V108 HydrophobicContact CB-CG2 4.02Å
69K94.1Very high91.5Very high80 Ų8056.1 Ų56.135%0.34827%0.265SS..Hα-helixtrans-60.6-47.9175.9169.9175.8172.8173.80111.5Y65 S66 H73 V108 Q112Y65-K69 VanDerWaalsContact O-CB 3.25Å; Y65-K69 WeakPolarHBondContact O-CB 3.14Å; Y65-K69 PolarHBondContact O-N 3.08Å; S66-K69 PolarHBondContact O-N 3.27Å; K69-H73 VanDerWaalsContact O-CB 3.23Å; K69-H73 WeakPolarHBondContact O-CB 3.4Å; K69-H73 PolarHBondContact O-N 3.05Å; K69-V108 HydrophobicContact CB-CG1 4.32Å; K69-Q112 HydrophobicContact CD-CG 3.88Å; K69-Q112 VanDerWaalsContact CE-CD 3.41Å; K69-Q112 VanDerWaalsContact CE-OE1 3.31Å; K69-Q112 HydrophobicContact CG-CG 4.04Å
70E92.9Very high91.8Very high67 Ų6755.1 Ų55.131%0.31326%0.26SS..Hα-helixtrans-63.3-44.7178.8-173.6170-17000111.3S66 N67 H73 M74S66-E70 PolarHBondContact O-N 2.98Å; N67-E70 PolarHBondContact O-N 3.14Å; E70-H73 PolarHBondContact O-N 3.04Å; E70-M74 PolarHBondContact O-N 3.34Å
71F93.8Very high91.8Very high1 Ų156.6 Ų56.60%0.00427%0.267CS..Hα-helixtrans-63.2-47.4178.1-174.8-110.4000113L20 T25 I39 I43 V54 N67 L68 H73 M74 L75L20-F71 HydrophobicContact CD2-CD1 4.47Å; L20-F71 HydrophobicContact CD2-CE1 3.81Å; T25-F71 HydrophobicContact CG2-CE1 3.96Å; T25-F71 HydrophobicContact CG2-CZ 3.93Å; T25-F71 WeakPolarHBondContact OG1-CZ 3.22Å; I39-F71 HydrophobicContact CD1-CE2 3.97Å; I39-F71 HydrophobicContact CD1-CZ 3.9Å; I39-F71 HydrophobicContact CG1-CZ 4.34Å; I43-F71 HydrophobicContact CG2-CB 3.74Å; I43-F71 HydrophobicContact CG2-CD2 3.86Å; I43-F71 HydrophobicContact CG2-CG 4.29Å; V54-F71 HydrophobicContact CB-CD2 4.49Å; V54-F71 HydrophobicContact CB-CG 4.32Å; V54-F71 HydrophobicContact CG1-CB 3.91Å; V54-F71 HydrophobicContact CG1-CD1 3.97Å; V54-F71 HydrophobicContact CG1-CG 3.89Å; V54-F71 HydrophobicContact CG2-CB 3.89Å; V54-F71 HydrophobicContact CG2-CD1 4.49Å; V54-F71 HydrophobicContact CG2-CD2 3.63Å; V54-F71 HydrophobicContact CG2-CE2 4.26Å; V54-F71 HydrophobicContact CG2-CG 3.76Å; N67-F71 WeakPolarHBondContact O-CB 3.4Å; N67-F71 PolarHBondContact O-N 3.12Å; L68-F71 PolarHBondContact O-N 3.35Å; F71-H73 VanDerWaalsContact C-N 3.32Å; F71-H73 PolarHBondContact O-N 3.32Å; F71-M74 HydrophobicContact CD2-CE 3.51Å; F71-M74 HydrophobicContact CE2-CE 3.6Å; F71-M74 WeakPolarHBondContact O-CB 3.49Å; F71-M74 PolarHBondContact O-N 2.92Å; F71-L75 HydrophobicContact CE1-CD1 4.33Å; F71-L75 WeakPolarHBondContact O-CB 3.12Å; F71-L75 PolarHBondContact O-N 2.92Å
72I94.1Very high92Very high3 Ų354.3 Ų54.32%0.01525%0.253CS..Hα-helixtrans-66.5-37.2178.7-67.8166.9000110.5L68 M74 L75 Y76 L105 V108 F109 F113L68-I72 WeakPolarHBondContact O-CB 3.38Å; L68-I72 VanDerWaalsContact O-CG1 3.23Å; L68-I72 WeakPolarHBondContact O-CG1 3.42Å; L68-I72 PolarHBondContact O-N 2.88Å; I72-M74 VanDerWaalsContact C-N 3.34Å; I72-M74 PolarHBondContact O-N 2.81Å; I72-L75 PolarHBondContact O-N 3.29Å; I72-Y76 HydrophobicContact CG2-CD2 3.63Å; I72-Y76 HydrophobicContact CG2-CE2 3.79Å; I72-Y76 WeakPolarHBondContact O-CD2 3.43Å; I72-Y76 PolarHBondContact O-N 3.21Å; I72-L105 HydrophobicContact CD1-CD1 3.8Å; I72-V108 HydrophobicContact CD1-CB 4.35Å; I72-V108 HydrophobicContact CD1-CG1 3.67Å; I72-F109 HydrophobicContact CD1-CD2 4.28Å; I72-F109 HydrophobicContact CD1-CE1 4.16Å; I72-F109 HydrophobicContact CD1-CE2 3.71Å; I72-F109 HydrophobicContact CD1-CZ 3.64Å; I72-F109 HydrophobicContact CG1-CZ 4.15Å; I72-F109 HydrophobicContact CG2-CE1 3.95Å; I72-F109 HydrophobicContact CG2-CZ 4.28Å; I72-F113 HydrophobicContact CB-CE2 3.73Å; I72-F113 HydrophobicContact CB-CZ 3.99Å; I72-F113 HydrophobicContact CG2-CD2 3.8Å; I72-F113 HydrophobicContact CG2-CE1 4.28Å; I72-F113 HydrophobicContact CG2-CE2 3.39Å; I72-F113 HydrophobicContact CG2-CG 4.41Å; I72-F113 HydrophobicContact CG2-CZ 3.65Å
73H93.6Very high92.1Very high99 Ų9950.8 Ų50.846%0.45824%0.239SC..Hα-helixtrans-59.7-46.8174.2-176.9-87.1000110.8K69 E70 F71 L75 Y76 F77 F113K69-H73 VanDerWaalsContact O-CB 3.23Å; K69-H73 WeakPolarHBondContact O-CB 3.4Å; K69-H73 PolarHBondContact O-N 3.05Å; E70-H73 PolarHBondContact O-N 3.04Å; F71-H73 VanDerWaalsContact C-N 3.32Å; F71-H73 PolarHBondContact O-N 3.32Å; H73-L75 PolarHBondContact O-N 3.38Å; H73-Y76 PolarHBondContact O-N 3.32Å; H73-F77 AromaticContact CD2-CD2 3.33Å; H73-F77 WeakPolarHBondContact CD2-CD2 3.19Å; H73-F77 AromaticContact CD2-CE2 3.46Å; H73-F77 VanDerWaalsContact CD2-CE2 3.46Å; H73-F77 WeakPolarHBondContact CD2-CE2 3.45Å; H73-F77 AromaticContact CE1-CD2 3.82Å; H73-F77 AromaticContact CG-CD2 3.76Å; H73-F77 AromaticContact NE2-CD2 3.39Å; H73-F77 WeakPolarHBondContact NE2-CD2 3.48Å; H73-F77 AromaticContact NE2-CE2 3.67Å; H73-F77 WeakPolarHBondContact O-CB 3.27Å; H73-F77 WeakPolarHBondContact O-CD2 3.23Å; H73-F77 PolarHBondContact O-N 3.21Å; H73-F113 HydrophobicContact CB-CE1 4.41Å; H73-F113 HydrophobicContact CB-CZ 4.05Å
74M92.6Very high92.2Very high41 Ų4146.6 Ų46.620%0.20222%0.219CC..Hα-helixtrans-60.1-44174.5180-92.8-69.900111.6I39 E70 F71 I72 Y76 R78 H79I39-M74 HydrophobicContact CD1-CE 4Å; I39-M74 HydrophobicContact CD1-SD 3.96Å; E70-M74 PolarHBondContact O-N 3.34Å; F71-M74 HydrophobicContact CD2-CE 3.51Å; F71-M74 HydrophobicContact CE2-CE 3.6Å; F71-M74 WeakPolarHBondContact O-CB 3.49Å; F71-M74 PolarHBondContact O-N 2.92Å; I72-M74 VanDerWaalsContact C-N 3.34Å; I72-M74 PolarHBondContact O-N 2.81Å; M74-Y76 PolarHBondContact O-N 3.48Å; M74-R78 HydrophobicContact CG-CB 4.28Å; M74-R78 WeakPolarHBondContact O-CA 3.4Å; M74-R78 WeakPolarHBondContact O-CB 3.47Å; M74-R78 PolarHBondContact O-N 3.02Å; M74-H79 PolarHBondContact O-N 3.3Å; M74-H79 PolarHBondContact SD-CD2 3.46Å; M74-H79 PolarHBondContact SD-NE2 2.95Å
75L93Very high92.2Very high1 Ų152.6 Ų52.61%0.00524%0.242CC..Iπ-helixtrans-59.7-46.8178.3-169.3151.8000112.7I18 T25 C27 F71 I72 H73 H79 L80I18-L75 HydrophobicContact CD1-CD1 4.38Å; I18-L75 HydrophobicContact CD1-CD2 3.96Å; I18-L75 HydrophobicContact CG1-CD2 4.36Å; I18-L75 HydrophobicContact CG2-CD1 4.01Å; T25-L75 HydrophobicContact CG2-CD1 3.9Å; C27-L75 HydrophobicContact CB-CD1 3.99Å; C27-L75 HydrophobicContact CB-CD2 4.04Å; C27-L75 HydrophobicContact CB-CG 4.11Å; F71-L75 HydrophobicContact CE1-CD1 4.33Å; F71-L75 WeakPolarHBondContact O-CB 3.12Å; F71-L75 PolarHBondContact O-N 2.92Å; I72-L75 PolarHBondContact O-N 3.29Å; H73-L75 PolarHBondContact O-N 3.38Å; L75-H79 WeakPolarHBondContact O-CB 3.29Å; L75-H79 PolarHBondContact O-N 3.4Å; L75-L80 HydrophobicContact CD2-CD1 3.44Å; L75-L80 VanDerWaalsContact CD2-CD1 3.44Å; L75-L80 HydrophobicContact CD2-CG 4.01Å; L75-L80 PolarHBondContact O-N 2.89Å
76Y93.1Very high92Very high0 Ų053.4 Ų53.40%025%0.25CS..Iπ-helixtrans-76.1-46.1-179-85.1-88000113.5V16 I18 I72 H73 M74 L80 L81 V82 P84 V89 F109V16-Y76 HydrophobicContact CG1-CE1 4.4Å; V16-Y76 HydrophobicContact CG2-CE1 4.07Å; I18-Y76 HydrophobicContact CD1-CE2 4.25Å; I72-Y76 HydrophobicContact CG2-CD2 3.63Å; I72-Y76 HydrophobicContact CG2-CE2 3.79Å; I72-Y76 WeakPolarHBondContact O-CD2 3.43Å; I72-Y76 PolarHBondContact O-N 3.21Å; H73-Y76 PolarHBondContact O-N 3.32Å; M74-Y76 PolarHBondContact O-N 3.48Å; Y76-L80 HydrophobicContact CD1-CD1 4.34Å; Y76-L80 HydrophobicContact CE1-CD1 4.3Å; Y76-L81 WeakPolarHBondContact O-CA 3.48Å; Y76-L81 PolarHBondContact O-N 3.48Å; Y76-V82 HydrophobicContact CD1-CG2 3.99Å; Y76-V82 HydrophobicContact CE1-CG2 4.26Å; Y76-V82 PolarHBondContact O-N 3.22Å; Y76-P84 HydrophobicContact CD1-CB 3.77Å; Y76-P84 HydrophobicContact CD1-CG 4.18Å; Y76-P84 HydrophobicContact CD2-CB 4.42Å; Y76-P84 HydrophobicContact CE1-CB 3.62Å; Y76-P84 HydrophobicContact CE2-CB 4.31Å; Y76-P84 HydrophobicContact CG-CB 4.17Å; Y76-P84 HydrophobicContact CG-CG 4.31Å; Y76-V89 WeakPolarHBondContact OH-CG2 3.45Å; Y76-F109 HydrophobicContact CE2-CE1 4.02Å
77F92Very high91.8Very high105 Ų10551.9 Ų51.946%0.46124%0.236SC..Iπ-helixtrans-91.8-24.2-169.8-67.9-76000114.2H73 L81 F113H73-F77 AromaticContact CD2-CD2 3.33Å; H73-F77 WeakPolarHBondContact CD2-CD2 3.19Å; H73-F77 AromaticContact CD2-CE2 3.46Å; H73-F77 VanDerWaalsContact CD2-CE2 3.46Å; H73-F77 WeakPolarHBondContact CD2-CE2 3.45Å; H73-F77 AromaticContact CE1-CD2 3.82Å; H73-F77 AromaticContact CG-CD2 3.76Å; H73-F77 AromaticContact NE2-CD2 3.39Å; H73-F77 WeakPolarHBondContact NE2-CD2 3.48Å; H73-F77 AromaticContact NE2-CE2 3.67Å; H73-F77 WeakPolarHBondContact O-CB 3.27Å; H73-F77 WeakPolarHBondContact O-CD2 3.23Å; H73-F77 PolarHBondContact O-N 3.21Å; F77-L81 VanDerWaalsContact O-CD2 3.22Å; F77-L81 WeakPolarHBondContact O-CD2 3.43Å; F77-F113 HydrophobicContact CE2-CE1 4.32Å
78R90.2Very high91.8Very high190 Ų19054.9 Ų54.972%0.71725%0.247SC*.Iπ-helixtrans-95.7-39.1176.5-167.3178.4178.5163.8-2.8112.3M74M74-R78 HydrophobicContact CG-CB 4.28Å; M74-R78 WeakPolarHBondContact O-CA 3.4Å; M74-R78 WeakPolarHBondContact O-CB 3.47Å; M74-R78 PolarHBondContact O-N 3.02Å
79H90.1Very high91.7Very high35 Ų3554.9 Ų54.916%0.16225%0.247CC..Iπ-helixtrans-100.9-62.9-174-64.3-76.2000112.8F37 M74 L75 L81F37-H79 HydrophobicContact CB-CB 4.48Å; F37-H79 AromaticContact CD1-ND1 3.84Å; F37-H79 HydrophobicContact CD2-CB 3.77Å; F37-H79 HydrophobicContact CE2-CB 4.12Å; F37-H79 WeakPolarHBondContact CE2-O 3.34Å; F37-H79 HydrophobicContact CG-CB 4.04Å; F37-H79 AromaticContact CG-ND1 3.92Å; M74-H79 PolarHBondContact O-N 3.3Å; M74-H79 PolarHBondContact SD-CD2 3.46Å; M74-H79 PolarHBondContact SD-NE2 2.95Å; L75-H79 WeakPolarHBondContact O-CB 3.29Å; L75-H79 PolarHBondContact O-N 3.4Å; H79-L81 PolarHBondContact O-N 3.46Å
80L90.8Very high91.7Very high7 Ų751 Ų514%0.03723%0.23CC..Iπ-helixtrans-74.4-25.2-172.9-62178.4000113.8V16 C27 F29 L75 Y76 V82V16-L80 HydrophobicContact CG1-CD1 3.41Å; V16-L80 VanDerWaalsContact CG1-CD1 3.41Å; V16-L80 HydrophobicContact CG2-CD1 4.3Å; C27-L80 HydrophobicContact CB-CD2 4.34Å; F29-L80 HydrophobicContact CE2-CD2 4.22Å; F29-L80 HydrophobicContact CZ-CB 4.44Å; F29-L80 HydrophobicContact CZ-CD2 4.4Å; L75-L80 HydrophobicContact CD2-CD1 3.44Å; L75-L80 VanDerWaalsContact CD2-CD1 3.44Å; L75-L80 HydrophobicContact CD2-CG 4.01Å; L75-L80 PolarHBondContact O-N 2.89Å; Y76-L80 HydrophobicContact CD1-CD1 4.34Å; Y76-L80 HydrophobicContact CE1-CD1 4.3Å; L80-V82 HydrophobicContact CB-CG2 3.83Å; L80-V82 PolarHBondContact O-N 3.37Å
81L91.9Very high91.7Very high124 Ų12447.9 Ų47.965%0.64922%0.215SC*.  trans55.136.6-179.3-53.3178.4000113.4Y76 F77 H79Y76-L81 WeakPolarHBondContact O-CA 3.48Å; Y76-L81 PolarHBondContact O-N 3.48Å; F77-L81 VanDerWaalsContact O-CD2 3.22Å; F77-L81 WeakPolarHBondContact O-CD2 3.43Å; H79-L81 PolarHBondContact O-N 3.46Å
82V90.9Very high91.7Very high22 Ų2247.8 Ų47.813%0.13322%0.215CC..SBendtrans-130.3153.5-179.2-64.80000111.8V16 F29 Y76 L80 P84V16-V82 HydrophobicContact CG2-CG2 4.45Å; F29-V82 HydrophobicContact CE1-CG1 4.08Å; F29-V82 HydrophobicContact CE1-CG2 4.17Å; F29-V82 HydrophobicContact CZ-CG1 3.76Å; F29-V82 HydrophobicContact CZ-CG2 4.15Å; Y76-V82 HydrophobicContact CD1-CG2 3.99Å; Y76-V82 HydrophobicContact CE1-CG2 4.26Å; Y76-V82 PolarHBondContact O-N 3.22Å; L80-V82 HydrophobicContact CB-CG2 3.83Å; L80-V82 PolarHBondContact O-N 3.37Å; V82-P84 WeakPolarHBondContact O-CD 3.48Å
83N91.8Very high91.5Very high73 Ų7348.3 Ų48.339%0.3922%0.217SC..  trans-76.9122.9174.5-171.9-4.4000110.4R85 D86N83-R85 VanDerWaalsContact C-N 3.26Å; N83-R85 PolarHBondContact O-N 2.94Å; N83-R85 PolarHBondContact OD1-N 3.48Å; N83-R85 VanDerWaalsContact OD1-N 3.15Å; N83-D86 PolarHBondContact O-N 3.46Å
84P90.9Very high91.2Very high3 Ų345.1 Ų45.12%0.01921%0.206CC..G310 helixtrans-64-26.5177.421.3-30.9000114Y76 V82 D86 F113 V115Y76-P84 HydrophobicContact CD1-CB 3.77Å; Y76-P84 HydrophobicContact CD1-CG 4.18Å; Y76-P84 HydrophobicContact CD2-CB 4.42Å; Y76-P84 HydrophobicContact CE1-CB 3.62Å; Y76-P84 HydrophobicContact CE2-CB 4.31Å; Y76-P84 HydrophobicContact CG-CB 4.17Å; Y76-P84 HydrophobicContact CG-CG 4.31Å; V82-P84 WeakPolarHBondContact O-CD 3.48Å; P84-D86 PolarHBondContact O-N 3.3Å; P84-F113 HydrophobicContact CB-CB 4.08Å; P84-F113 HydrophobicContact CB-CD1 4.41Å; P84-F113 HydrophobicContact CG-CB 4.04Å; P84-F113 HydrophobicContact CG-CD1 3.67Å; P84-F113 HydrophobicContact CG-CG 4.26Å; P84-V115 HydrophobicContact CB-CG1 4.04Å
85R90.6Very high90.9Very high128 Ų12843.8 Ų43.848%0.48320%0.2SC..G310 helixtrans-65.1-22.9-178.9-70-177.7172.2173.9-5.9114.1N83 F113 E114 P116N83-R85 VanDerWaalsContact C-N 3.26Å; N83-R85 PolarHBondContact O-N 2.94Å; N83-R85 PolarHBondContact OD1-N 3.48Å; N83-R85 VanDerWaalsContact OD1-N 3.15Å; R85-F113 VanDerWaalsContact CG-O 3.22Å; R85-F113 WeakPolarHBondContact CG-O 3.36Å; R85-E114 HydrophobicContact CG-CB 4.13Å; R85-E114 IonicContact CZ-OE1 2.67Å; R85-E114 IonicContact CZ-OE2 3.62Å; R85-E114 IonicContact NE-OE1 3.65Å; R85-E114 IonicContact NE-OE2 3.73Å; R85-E114 PolarHBondContact NE-OE2 3.4Å; R85-E114 VanDerWaalsContact NH2-CD 3.27Å; R85-E114 IonicContact NH2-OE1 3.05Å; R85-E114 PolarHBondContact NH2-OE1 2.8Å; R85-E114 IonicContact NH2-OE2 3.37Å; R85-E114 PolarHBondContact NH2-OE2 3.06Å; R85-P116 WeakPolarHBondContact O-CD 3.3Å; R85-P116 VanDerWaalsContact O-CG 3.29Å; R85-P116 WeakPolarHBondContact O-CG 3.4Å
86D88.8Confident90.5Very high80 Ų8046.4 Ų46.443%0.42821%0.214SC..G310 helixtrans-94-9.6-170.7-75.6-7.7000113.6K13 N83 P84K13-D86 HydrophobicContact CD-CB 3.74Å; K13-D86 WeakPolarHBondContact CD-O 3.48Å; K13-D86 IonicContact NZ-OD1 2.86Å; K13-D86 IonicContact NZ-OD2 3.91Å; K13-D86 PolarHBondContact NZ-OD2 3.12Å; N83-D86 PolarHBondContact O-N 3.46Å; P84-D86 PolarHBondContact O-N 3.3Å
87R88.5Confident90.1Very high29 Ų2947.2 Ų47.211%0.10922%0.219CC..SBendtrans-136.7141.2-166.1-67.4175.9-177-89.30.1111.3K13 T14 V16 P116K13-R87 HydrophobicContact CB-CG 3.82Å; K13-R87 HydrophobicContact CD-CG 4.38Å; T14-R87 WeakPolarHBondContact O-CD 3.23Å; T14-R87 PolarHBondContact O-NH1 3.06Å; T14-R87 PolarHBondContact OG1-NH1 2.81Å; V16-R87 HydrophobicContact CG2-CB 4.3Å; R87-P116 VanDerWaalsContact O-CD 3.26Å; R87-P116 WeakPolarHBondContact O-CD 3.34Å
88R90.3Very high89.9Confident63 Ų6344.5 Ų44.524%0.23821%0.212CC..  trans-71.5154.6172.6-56-179.7-171.6161.313.2110.1E12 A15 V16 S117E12-R88 IonicContact OE1-CZ 3.05Å; E12-R88 IonicContact OE1-NH2 3.72Å; E12-R88 PolarHBondContact OE1-NH2 2.86Å; E12-R88 IonicContact OE2-NH2 2.66Å; A15-R88 CarbonylContact C-O 3.57Å; A15-R88 WeakPolarHBondContact CA-O 3.47Å; A15-R88 HydrophobicContact CB-CB 4.33Å; V16-R88 PolarHBondContact N-O 2.98Å; R88-S117 WeakPolarHBondContact CB-OG 3.43Å; R88-S117 WeakPolarHBondContact CD-OG 3.37Å; R88-S117 VanDerWaalsContact CG-OG 3.26Å; R88-S117 WeakPolarHBondContact CG-OG 3.49Å
89V92.4Very high89.7Confident1 Ų137.6 Ų37.61%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-122.6129.9-178-1710000110.8V16 I18 Y76 I91 F109 V115 S117 V118 L119V16-V89 CarbonylContact O-C 3.6Å; V16-V89 WeakPolarHBondContact O-CA 3.33Å; I18-V89 HydrophobicContact CD1-CG1 3.91Å; I18-V89 HydrophobicContact CG1-CG1 4.31Å; Y76-V89 WeakPolarHBondContact OH-CG2 3.45Å; V89-I91 HydrophobicContact CG1-CG1 3.9Å; V89-F109 HydrophobicContact CG1-CE1 4.19Å; V89-F109 HydrophobicContact CG1-CZ 4.29Å; V89-F109 HydrophobicContact CG2-CD1 4.48Å; V89-F109 HydrophobicContact CG2-CE1 4.4Å; V89-V115 HydrophobicContact CG2-CB 4.3Å; V89-V115 HydrophobicContact CG2-CG1 4.01Å; V89-S117 PolarHBondContact N-O 2.96Å; V89-V118 WeakPolarHBondContact O-CA 3.4Å; V89-L119 PolarHBondContact O-N 2.91Å
90V93.3Very high89.6Confident0 Ų038.9 Ų38.90%020%0.199CC..EExtended strand (participates in β ladder)trans-105.8117.8169-176.20000108V16 V17 I18 L119 A121 L368V16-V90 PolarHBondContact O-N 3.37Å; V17-V90 WeakPolarHBondContact CA-O 3.34Å; V17-V90 HydrophobicContact CG2-CB 4.29Å; I18-V90 PolarHBondContact N-O 2.86Å; V90-L119 HydrophobicContact CG1-CD2 4.19Å; V90-L119 HydrophobicContact CG2-CD2 4.19Å; V90-A121 HydrophobicContact CG1-CB 4.24Å; V90-L368 HydrophobicContact CG2-CD2 3.67Å
91I93.9Very high89.5Confident0 Ų039 Ų390%020%0.199CC..EExtended strand (participates in β ladder)trans-105.7120.2178.5-55.8172.8000107.2I18 L20 V89 L105 F109 V118 L119 F120 A121I18-I91 CarbonylContact O-C 3.59Å; I18-I91 WeakPolarHBondContact O-CA 3.28Å; L20-I91 HydrophobicContact CD1-CG2 4.15Å; V89-I91 HydrophobicContact CG1-CG1 3.9Å; I91-L105 HydrophobicContact CD1-CD2 3.95Å; I91-L105 HydrophobicContact CD1-CG 4.28Å; I91-L105 HydrophobicContact CG2-CD2 3.99Å; I91-F109 HydrophobicContact CD1-CD2 3.66Å; I91-F109 HydrophobicContact CD1-CE2 3.35Å; I91-F109 HydrophobicContact CD1-CZ 4.16Å; I91-F109 HydrophobicContact CG1-CE2 4.23Å; I91-V118 HydrophobicContact CD1-CG1 3.56Å; I91-V118 HydrophobicContact CG1-CG1 4.25Å; I91-L119 PolarHBondContact N-O 2.93Å; I91-F120 HydrophobicContact CB-CD1 4.07Å; I91-F120 HydrophobicContact CB-CE1 4.07Å; I91-F120 HydrophobicContact CD1-CE1 3.77Å; I91-F120 HydrophobicContact CD1-CZ 3.83Å; I91-F120 HydrophobicContact CG2-CD1 4.13Å; I91-F120 HydrophobicContact CG2-CE1 3.99Å; I91-F120 CarbonylContact O-C 3.57Å; I91-F120 WeakPolarHBondContact O-CA 3.2Å; I91-A121 PolarHBondContact O-N 2.93Å
92I93Very high89.4Confident0 Ų033.4 Ų33.40%017%0.169CC..EExtended strand (participates in β ladder)trans-92.6120.5175.1-55.2165.3000106.7V17 I18 D19 L20 A121 A354 W355V17-I92 HydrophobicContact CG1-CD1 3.7Å; V17-I92 HydrophobicContact CG1-CG1 4.34Å; I18-I92 PolarHBondContact O-N 2.78Å; D19-I92 HydrophobicContact CB-CB 4.21Å; D19-I92 HydrophobicContact CB-CD1 4.17Å; L20-I92 PolarHBondContact N-O 3.37Å; I92-A121 WeakPolarHBondContact CA-O 3.04Å; I92-A354 WeakPolarHBondContact CD1-O 3.5Å; I92-A354 HydrophobicContact CG2-CB 4.32Å; I92-W355 VanDerWaalsContact CD1-CA 3.48Å; I92-W355 HydrophobicContact CD1-CB 4.4Å
93E89.7Confident89.3Confident13 Ų1335.5 Ų35.56%0.06118%0.177CC..EExtended strand (participates in β ladder)trans-125.5158179.166.6176.8170.400111.1C97 R102 F120 A121 P122 S123E93-C97 HydrophobicContact CB-CB 4.44Å; E93-R102 WeakPolarHBondContact OE1-CD 3.34Å; E93-R102 IonicContact OE1-NH1 2.79Å; E93-F120 HydrophobicContact CG-CD1 4.28Å; E93-F120 WeakPolarHBondContact OE1-CB 3.39Å; E93-A121 PolarHBondContact N-O 3.03Å; E93-P122 WeakPolarHBondContact O-CA 3.48Å; E93-S123 PolarHBondContact O-N 3.49Å
94S87.8Confident89.3Confident33 Ų3332.2 Ų32.223%0.23116%0.16CC..  trans-72148.5164.4-175.70000109.7L96 C97S94-L96 PolarHBondContact O-N 3.23Å; S94-C97 WeakPolarHBondContact O-CB 3.24Å; S94-C97 PolarHBondContact O-N 3.19Å; S94-C97 VanDerWaalsContact O-N 3.14Å
95I85.1Confident89.4Confident13 Ų1332.1 Ų32.17%0.06716%0.159CC..THydrogen-bonded Turntrans-65.4-29.5-178.8-67.4163.5000111.6C97 P122 L149 L158I95-C97 PolarHBondContact O-N 3.21Å; I95-P122 HydrophobicContact CD1-CB 4Å; I95-P122 HydrophobicContact CG1-CB 3.55Å; I95-L149 HydrophobicContact CD1-CD1 4.13Å; I95-L149 HydrophobicContact CD1-CD2 3.1Å; I95-L149 HydrophobicContact CD1-CG 4.14Å; I95-L158 HydrophobicContact CG2-CD2 3.88Å
96L84.8Confident89.4Confident56 Ų5626.1 Ų26.129%0.29314%0.137SC..THydrogen-bonded Turntrans-86.18-180-54.7179.7000112.8S94 L147 W161 A163S94-L96 PolarHBondContact O-N 3.23Å; L96-L147 HydrophobicContact CD1-CD1 3.79Å; L96-L147 HydrophobicContact CD1-CD2 3.96Å; L96-L147 HydrophobicContact CD1-CG 4.49Å; L96-L147 HydrophobicContact CG-CD1 4.42Å; L96-L147 HydrophobicContact CG-CD2 4.03Å; L96-W161 HydrophobicContact CD1-CE3 3.69Å; L96-W161 HydrophobicContact CD1-CH2 4.05Å; L96-W161 HydrophobicContact CD1-CZ3 3.32Å; L96-W161 HydrophobicContact CD2-CD2 4.15Å; L96-W161 HydrophobicContact CD2-CE3 3.92Å; L96-W161 HydrophobicContact CD2-CH2 4.02Å; L96-W161 HydrophobicContact CD2-CZ2 4.25Å; L96-W161 HydrophobicContact CD2-CZ3 3.87Å; L96-W161 HydrophobicContact CG-CE3 4.37Å; L96-W161 HydrophobicContact CG-CZ3 4.23Å; L96-A163 HydrophobicContact CD1-CB 4.17Å
97C85.4Confident89.6Confident16 Ų1626.5 Ų26.511%0.10813%0.134CC..  trans-60.1127.4177.4-173.90000110.2E93 S94 I95 S99 F101E93-C97 HydrophobicContact CB-CB 4.44Å; S94-C97 WeakPolarHBondContact O-CB 3.24Å; S94-C97 PolarHBondContact O-N 3.19Å; S94-C97 VanDerWaalsContact O-N 3.14Å; I95-C97 PolarHBondContact O-N 3.21Å; C97-S99 PolarHBondContact O-N 3.44Å; C97-F101 VanDerWaalsContact SG-CD1 3.6Å
98P87.3Confident89.8Confident49 Ų4925.1 Ų25.132%0.31813%0.129SC..  trans-58.8134.1179.8-26.735.6000112.4Y57 H100 F101 R102Y57-P98 HydrophobicContact CD1-CG 3.65Å; Y57-P98 HydrophobicContact CE1-CG 4.2Å; Y57-P98 HydrophobicContact CG-CG 3.91Å; P98-H100 PolarHBondContact O-N 2.79Å; P98-H100 VanDerWaalsContact O-N 3.08Å; P98-F101 WeakPolarHBondContact O-CB 3.39Å; P98-F101 PolarHBondContact O-N 3.35Å; P98-R102 PolarHBondContact O-N 2.9Å
99S86.1Confident90Very high44 Ų4422.2 Ų22.231%0.30812%0.118SC..Hα-helixtrans-56.5-31.7179-39.70000112C97 F101 R102 E103 D386C97-S99 PolarHBondContact O-N 3.44Å; S99-F101 PolarHBondContact O-N 3.46Å; S99-R102 PolarHBondContact O-N 3.03Å; S99-E103 WeakPolarHBondContact O-CB 3.4Å; S99-E103 WeakPolarHBondContact O-CG 3.48Å; S99-E103 PolarHBondContact O-N 3.15Å; S99-D386 WeakPolarHBondContact CB-OD2 3.33Å; S99-D386 PolarHBondContact OG-OD2 2.99Å
100H87.8Confident90.1Very high63 Ų6322.4 Ų22.429%0.29212%0.119SC..Hα-helixtrans-58.2-44.6174.7178.849.8000113.1T61 P98 T104T61-H100 WeakPolarHBondContact CG2-CE1 3.49Å; P98-H100 PolarHBondContact O-N 2.79Å; P98-H100 VanDerWaalsContact O-N 3.08Å; H100-T104 PolarHBondContact CE1-OG1 3.44Å; H100-T104 PolarHBondContact O-N 3.18Å; H100-T104 VanDerWaalsContact O-N 3.15Å; H100-T104 PolarHBondContact O-OG1 3.28Å
101F89.8Confident90Very high9 Ų928 Ų284%0.03914%0.144CC..Hα-helixtrans-65.8-45.9177.5-178.7-93.5000110.4L20 V55 Y57 L64 L68 C97 P98 S99 E103 T104 L105L20-F101 HydrophobicContact CD1-CE1 4.47Å; V55-F101 HydrophobicContact CG1-CE2 4.42Å; V55-F101 HydrophobicContact CG1-CZ 4.36Å; V55-F101 HydrophobicContact CG2-CZ 4.36Å; Y57-F101 HydrophobicContact CD1-CB 4.4Å; Y57-F101 HydrophobicContact CE1-CG 4.47Å; L64-F101 HydrophobicContact CD1-CD2 4.05Å; L64-F101 HydrophobicContact CD1-CE2 4.06Å; L64-F101 HydrophobicContact CD2-CD2 4.01Å; L68-F101 HydrophobicContact CD1-CE2 4.3Å; L68-F101 HydrophobicContact CD2-CE2 4.09Å; L68-F101 HydrophobicContact CD2-CZ 4.03Å; C97-F101 VanDerWaalsContact SG-CD1 3.6Å; P98-F101 WeakPolarHBondContact O-CB 3.39Å; P98-F101 PolarHBondContact O-N 3.35Å; S99-F101 PolarHBondContact O-N 3.46Å; F101-E103 PolarHBondContact O-N 3.21Å; F101-T104 PolarHBondContact O-N 2.79Å; F101-L105 HydrophobicContact CE1-CD2 4.15Å; F101-L105 WeakPolarHBondContact O-CB 2.99Å; F101-L105 PolarHBondContact O-N 2.87Å
102R89.3Confident90Very high7 Ų731.4 Ų31.43%0.02616%0.16CC..Hα-helixtrans-60.8-44178.9-166.7-177.861.4-131.9-19.1112.8E93 P98 S99 T104 L105 T106 F120 D386E93-R102 WeakPolarHBondContact OE1-CD 3.34Å; E93-R102 IonicContact OE1-NH1 2.79Å; P98-R102 PolarHBondContact O-N 2.9Å; S99-R102 PolarHBondContact O-N 3.03Å; R102-T104 VanDerWaalsContact C-N 3.33Å; R102-T104 PolarHBondContact O-N 3.47Å; R102-L105 PolarHBondContact O-N 3.46Å; R102-T106 WeakPolarHBondContact O-CB 3.23Å; R102-T106 PolarHBondContact O-N 3.12Å; R102-T106 PolarHBondContact O-OG1 3.04Å; R102-F120 HydrophobicContact CG-CD1 3.78Å; R102-F120 HydrophobicContact CG-CD2 4.27Å; R102-F120 HydrophobicContact CG-CE1 3.45Å; R102-F120 VanDerWaalsContact CG-CE1 3.45Å; R102-F120 HydrophobicContact CG-CE2 4Å; R102-F120 HydrophobicContact CG-CG 4.17Å; R102-F120 HydrophobicContact CG-CZ 3.57Å; R102-D386 IonicContact CZ-OD1 3.4Å; R102-D386 IonicContact CZ-OD2 3.95Å; R102-D386 IonicContact NH1-OD1 3.47Å; R102-D386 PolarHBondContact NH1-OD1 3.05Å; R102-D386 IonicContact NH1-OD2 2.85Å; R102-D386 PolarHBondContact NH1-OD2 3.23Å; R102-D386 IonicContact NH2-OD1 3.21Å; R102-D386 IonicContact NH2-OD2 2.71Å; R102-D386 PolarHBondContact NH2-OD2 3.39Å
103E89.2Confident89.9Confident65 Ų6532 Ų3230%0.30416%0.162SC..Hα-helixtrans-61.7-41.6176.2-76.7-176.4179.500112.1S99 F101 T106 K107S99-E103 WeakPolarHBondContact O-CB 3.4Å; S99-E103 WeakPolarHBondContact O-CG 3.48Å; S99-E103 PolarHBondContact O-N 3.15Å; F101-E103 PolarHBondContact O-N 3.21Å; E103-T106 WeakPolarHBondContact O-CB 3.29Å; E103-T106 PolarHBondContact O-N 3.5Å; E103-K107 VanDerWaalsContact O-CG 3.32Å; E103-K107 WeakPolarHBondContact O-CG 3.19Å; E103-K107 PolarHBondContact O-N 2.93Å
104T91.3Very high90.1Very high4 Ų434.8 Ų34.83%0.02518%0.175CC..Hα-helixtrans-68.6-43.5179.7-53.80000110.9L64 Y65 L68 H100 F101 R102 T106 K107 V108L64-T104 HydrophobicContact CB-CG2 4.25Å; L64-T104 HydrophobicContact CD2-CG2 4.01Å; L64-T104 HydrophobicContact CG-CG2 3.94Å; Y65-T104 HydrophobicContact CD2-CG2 4.34Å; L68-T104 HydrophobicContact CD1-CG2 4.12Å; H100-T104 PolarHBondContact CE1-OG1 3.44Å; H100-T104 PolarHBondContact O-N 3.18Å; H100-T104 VanDerWaalsContact O-N 3.15Å; H100-T104 PolarHBondContact O-OG1 3.28Å; F101-T104 PolarHBondContact O-N 2.79Å; R102-T104 VanDerWaalsContact C-N 3.33Å; R102-T104 PolarHBondContact O-N 3.47Å; T104-T106 VanDerWaalsContact C-N 3.31Å; T104-T106 PolarHBondContact O-N 2.98Å; T104-K107 WeakPolarHBondContact O-CB 3.25Å; T104-K107 PolarHBondContact O-N 3.47Å; T104-V108 WeakPolarHBondContact O-CG2 3.35Å; T104-V108 PolarHBondContact O-N 2.88Å
105L92.3Very high90.3Very high2 Ų233.2 Ų33.21%0.0116%0.164CC..Hα-helixtrans-58.9-43.9175-171.864.2000111.8L20 L68 I72 I91 F101 R102 V108 F109 F120L20-L105 HydrophobicContact CD1-CD1 3.99Å; L20-L105 HydrophobicContact CD1-CD2 3.45Å; L20-L105 VanDerWaalsContact CD1-CD2 3.45Å; L20-L105 HydrophobicContact CD1-CG 4.4Å; L68-L105 HydrophobicContact CD1-CB 4.29Å; L68-L105 HydrophobicContact CD1-CD1 4.13Å; L68-L105 HydrophobicContact CD2-CD1 3.95Å; I72-L105 HydrophobicContact CD1-CD1 3.8Å; I91-L105 HydrophobicContact CD1-CD2 3.95Å; I91-L105 HydrophobicContact CD1-CG 4.28Å; I91-L105 HydrophobicContact CG2-CD2 3.99Å; F101-L105 HydrophobicContact CE1-CD2 4.15Å; F101-L105 WeakPolarHBondContact O-CB 2.99Å; F101-L105 PolarHBondContact O-N 2.87Å; R102-L105 PolarHBondContact O-N 3.46Å; L105-V108 PolarHBondContact O-N 3.07Å; L105-F109 HydrophobicContact CD1-CD2 4.16Å; L105-F109 HydrophobicContact CD1-CE2 3.66Å; L105-F109 HydrophobicContact CD2-CE2 4.39Å; L105-F109 HydrophobicContact CG-CD2 3.97Å; L105-F109 HydrophobicContact CG-CE2 3.76Å; L105-F109 VanDerWaalsContact O-CD2 3.24Å; L105-F109 WeakPolarHBondContact O-CD2 3.47Å; L105-F109 PolarHBondContact O-N 2.79Å; L105-F120 HydrophobicContact CD2-CE1 4.07Å
106T91.8Very high90.6Very high1 Ų135.1 Ų35.11%0.00618%0.177CC..Hα-helixtrans-60-46.6175.1-59.90000112.3R102 E103 T104 V108 F109 F110 F120 Y378 I384R102-T106 WeakPolarHBondContact O-CB 3.23Å; R102-T106 PolarHBondContact O-N 3.12Å; R102-T106 PolarHBondContact O-OG1 3.04Å; E103-T106 WeakPolarHBondContact O-CB 3.29Å; E103-T106 PolarHBondContact O-N 3.5Å; T104-T106 VanDerWaalsContact C-N 3.31Å; T104-T106 PolarHBondContact O-N 2.98Å; T106-V108 VanDerWaalsContact C-N 3.27Å; T106-V108 PolarHBondContact O-N 3.29Å; T106-F109 PolarHBondContact O-N 2.95Å; T106-F110 HydrophobicContact CG2-CD2 3.51Å; T106-F110 HydrophobicContact CG2-CE2 3.69Å; T106-F110 PolarHBondContact O-N 2.88Å; T106-F120 WeakPolarHBondContact OG1-CZ 3.03Å; T106-Y378 HydrophobicContact CG2-CD2 3.81Å; T106-Y378 HydrophobicContact CG2-CE1 4.39Å; T106-Y378 HydrophobicContact CG2-CE2 3.49Å; T106-Y378 VanDerWaalsContact CG2-CE2 3.49Å; T106-Y378 HydrophobicContact CG2-CG 4.39Å; T106-I384 HydrophobicContact CG2-CD1 3.24Å; T106-I384 HydrophobicContact CG2-CG1 3.82Å; T106-I384 WeakPolarHBondContact OG1-CD1 3.41Å
107K92Very high90.8Very high88 Ų8832.7 Ų32.738%0.38317%0.165SC..Hα-helixtrans-57.2-43.8176.3-74.6170.4-174.9172.30110.6Y65 E103 T104 K111 Y378Y65-K107 HydrophobicContact CD2-CB 4.34Å; Y65-K107 HydrophobicContact CE2-CB 4.05Å; E103-K107 VanDerWaalsContact O-CG 3.32Å; E103-K107 WeakPolarHBondContact O-CG 3.19Å; E103-K107 PolarHBondContact O-N 2.93Å; T104-K107 WeakPolarHBondContact O-CB 3.25Å; T104-K107 PolarHBondContact O-N 3.47Å; K107-K111 WeakPolarHBondContact O-CA 3.3Å; K107-K111 WeakPolarHBondContact O-CB 3.43Å; K107-K111 PolarHBondContact O-N 3.2Å; K107-Y378 WeakPolarHBondContact CG-OH 3.27Å
108V94Very high91.1Very high0 Ų032 Ų320%016%0.16CC..Iπ-helixtrans-61-49.9177.7176.50000110.7Y65 L68 K69 I72 T104 L105 T106 F110 Q112 F113Y65-V108 HydrophobicContact CD2-CG2 3.36Å; Y65-V108 HydrophobicContact CE2-CB 4.24Å; Y65-V108 HydrophobicContact CE2-CG2 3.45Å; Y65-V108 VanDerWaalsContact CE2-CG2 3.45Å; Y65-V108 HydrophobicContact CG-CG2 4.02Å; L68-V108 HydrophobicContact CB-CG2 4.02Å; K69-V108 HydrophobicContact CB-CG1 4.32Å; I72-V108 HydrophobicContact CD1-CB 4.35Å; I72-V108 HydrophobicContact CD1-CG1 3.67Å; T104-V108 WeakPolarHBondContact O-CG2 3.35Å; T104-V108 PolarHBondContact O-N 2.88Å; L105-V108 PolarHBondContact O-N 3.07Å; T106-V108 VanDerWaalsContact C-N 3.27Å; T106-V108 PolarHBondContact O-N 3.29Å; V108-F110 PolarHBondContact O-N 2.94Å; V108-Q112 VanDerWaalsContact O-CB 3.27Å; V108-Q112 WeakPolarHBondContact O-CB 3.49Å; V108-Q112 PolarHBondContact O-N 2.85Å; V108-F113 HydrophobicContact CG1-CD2 3.83Å; V108-F113 HydrophobicContact CG1-CE2 3.6Å; V108-F113 PolarHBondContact O-N 2.8Å
109F94.3Very high91.2Very high2 Ų230.2 Ų30.21%0.00915%0.148CC..Iπ-helixtrans-62-45.8-179.2-83.3-65.3000113.6I18 I72 Y76 V89 I91 L105 T106 F113 E114 V115 V118I18-F109 HydrophobicContact CD1-CE1 4.31Å; I18-F109 HydrophobicContact CD1-CZ 3.87Å; I72-F109 HydrophobicContact CD1-CD2 4.28Å; I72-F109 HydrophobicContact CD1-CE1 4.16Å; I72-F109 HydrophobicContact CD1-CE2 3.71Å; I72-F109 HydrophobicContact CD1-CZ 3.64Å; I72-F109 HydrophobicContact CG1-CZ 4.15Å; I72-F109 HydrophobicContact CG2-CE1 3.95Å; I72-F109 HydrophobicContact CG2-CZ 4.28Å; Y76-F109 HydrophobicContact CE2-CE1 4.02Å; V89-F109 HydrophobicContact CG1-CE1 4.19Å; V89-F109 HydrophobicContact CG1-CZ 4.29Å; V89-F109 HydrophobicContact CG2-CD1 4.48Å; V89-F109 HydrophobicContact CG2-CE1 4.4Å; I91-F109 HydrophobicContact CD1-CD2 3.66Å; I91-F109 HydrophobicContact CD1-CE2 3.35Å; I91-F109 HydrophobicContact CD1-CZ 4.16Å; I91-F109 HydrophobicContact CG1-CE2 4.23Å; L105-F109 HydrophobicContact CD1-CD2 4.16Å; L105-F109 HydrophobicContact CD1-CE2 3.66Å; L105-F109 HydrophobicContact CD2-CE2 4.39Å; L105-F109 HydrophobicContact CG-CD2 3.97Å; L105-F109 HydrophobicContact CG-CE2 3.76Å; L105-F109 VanDerWaalsContact O-CD2 3.24Å; L105-F109 WeakPolarHBondContact O-CD2 3.47Å; L105-F109 PolarHBondContact O-N 2.79Å; T106-F109 PolarHBondContact O-N 2.95Å; F109-F113 CarbonylContact O-C 3.59Å; F109-E114 PolarHBondContact O-N 3.46Å; F109-V115 HydrophobicContact CB-CG2 3.84Å; F109-V115 HydrophobicContact CD1-CG1 3.93Å; F109-V115 HydrophobicContact CD1-CG2 4.44Å; F109-V115 PolarHBondContact O-N 2.79Å; F109-V118 HydrophobicContact CB-CG2 3.97Å; F109-V118 HydrophobicContact CG-CG2 4.43Å
110F93.8Very high91.4Very high5 Ų528.9 Ų28.92%0.02214%0.137CC..Iπ-helixtrans-82.7-39.2-177.2-72.4-50.7000114.5T106 V108 E114 V115 V118 V373 R375 Y378 I384T106-F110 HydrophobicContact CG2-CD2 3.51Å; T106-F110 HydrophobicContact CG2-CE2 3.69Å; T106-F110 PolarHBondContact O-N 2.88Å; V108-F110 PolarHBondContact O-N 2.94Å; F110-E114 WeakPolarHBondContact O-CA 3.44Å; F110-V115 HydrophobicContact CD1-CG2 3.91Å; F110-V115 WeakPolarHBondContact CD1-O 3.5Å; F110-V115 HydrophobicContact CE1-CG2 3.99Å; F110-V118 HydrophobicContact CE1-CG2 3.93Å; F110-V118 HydrophobicContact CE2-CB 4.42Å; F110-V118 HydrophobicContact CE2-CG2 4.16Å; F110-V118 HydrophobicContact CZ-CB 3.99Å; F110-V118 HydrophobicContact CZ-CG2 3.72Å; F110-V373 WeakPolarHBondContact CZ-O 3.43Å; F110-R375 HydrophobicContact CD1-CB 3.68Å; F110-R375 HydrophobicContact CD1-CG 3.73Å; F110-R375 VanDerWaalsContact CE1-CA 3.45Å; F110-R375 HydrophobicContact CE1-CB 3.74Å; F110-R375 HydrophobicContact CE1-CG 4.32Å; F110-R375 HydrophobicContact CG-CG 4.38Å; F110-Y378 HydrophobicContact CB-CD1 3.85Å; F110-Y378 HydrophobicContact CB-CE1 4.14Å; F110-Y378 AromaticContact CD2-CD1 3.34Å; F110-Y378 HydrophobicContact CD2-CD1 3.34Å; F110-Y378 HydrophobicContact CD2-CD2 4.03Å; F110-Y378 AromaticContact CD2-CE1 3.93Å; F110-Y378 HydrophobicContact CD2-CE1 3.93Å; F110-Y378 AromaticContact CD2-CG 3.39Å; F110-Y378 HydrophobicContact CD2-CG 3.39Å; F110-Y378 HydrophobicContact CE2-CD1 4.11Å; F110-Y378 HydrophobicContact CE2-CD2 4.13Å; F110-Y378 AromaticContact CE2-CG 3.66Å; F110-Y378 HydrophobicContact CE2-CG 3.66Å; F110-Y378 AromaticContact CG-CD1 3.86Å; F110-Y378 HydrophobicContact CG-CD1 3.86Å; F110-Y378 HydrophobicContact CG-CE1 4.48Å; F110-Y378 HydrophobicContact CG-CG 4.26Å; F110-I384 HydrophobicContact CE2-CD1 4.18Å
111K91.6Very high91.5Very high118 Ų11826 Ų2651%0.51312%0.123SC..Iπ-helixtrans-87-38.2-175.3-60.1-60-172-1720113.1K107 N379K107-K111 WeakPolarHBondContact O-CA 3.3Å; K107-K111 WeakPolarHBondContact O-CB 3.43Å; K107-K111 PolarHBondContact O-N 3.2Å; K111-N379 PolarHBondContact NZ-OD1 3.4Å
112Q93.1Very high91.5Very high72 Ų7225.8 Ų25.834%0.33612%0.123SC..Iπ-helixtrans-91.9-42.8-177.5-177.163.356.800112.7K69 V108K69-Q112 HydrophobicContact CD-CG 3.88Å; K69-Q112 VanDerWaalsContact CE-CD 3.41Å; K69-Q112 VanDerWaalsContact CE-OE1 3.31Å; K69-Q112 HydrophobicContact CG-CG 4.04Å; V108-Q112 VanDerWaalsContact O-CB 3.27Å; V108-Q112 WeakPolarHBondContact O-CB 3.49Å; V108-Q112 PolarHBondContact O-N 2.85Å
113F92.3Very high91.6Very high13 Ų1325.8 Ų25.86%0.05712%0.124CC..SBendtrans-102.9-9.6-174.5-65.8-76.2000113.9I72 H73 F77 P84 R85 V108 F109 V115I72-F113 HydrophobicContact CB-CE2 3.73Å; I72-F113 HydrophobicContact CB-CZ 3.99Å; I72-F113 HydrophobicContact CG2-CD2 3.8Å; I72-F113 HydrophobicContact CG2-CE1 4.28Å; I72-F113 HydrophobicContact CG2-CE2 3.39Å; I72-F113 HydrophobicContact CG2-CG 4.41Å; I72-F113 HydrophobicContact CG2-CZ 3.65Å; H73-F113 HydrophobicContact CB-CE1 4.41Å; H73-F113 HydrophobicContact CB-CZ 4.05Å; F77-F113 HydrophobicContact CE2-CE1 4.32Å; P84-F113 HydrophobicContact CB-CB 4.08Å; P84-F113 HydrophobicContact CB-CD1 4.41Å; P84-F113 HydrophobicContact CG-CB 4.04Å; P84-F113 HydrophobicContact CG-CD1 3.67Å; P84-F113 HydrophobicContact CG-CG 4.26Å; R85-F113 VanDerWaalsContact CG-O 3.22Å; R85-F113 WeakPolarHBondContact CG-O 3.36Å; V108-F113 HydrophobicContact CG1-CD2 3.83Å; V108-F113 HydrophobicContact CG1-CE2 3.6Å; V108-F113 PolarHBondContact O-N 2.8Å; F109-F113 CarbonylContact O-C 3.59Å; F113-V115 VanDerWaalsContact C-N 3.27Å; F113-V115 HydrophobicContact CB-CG1 4.19Å; F113-V115 PolarHBondContact O-N 2.86Å
114E93.4Very high91.8Very high71 Ų7122.7 Ų22.733%0.33211%0.11SC..  trans51.641.5176.4-67.3170.2-13900113.7R85 F109 F110 R375R85-E114 HydrophobicContact CG-CB 4.13Å; R85-E114 IonicContact CZ-OE1 2.67Å; R85-E114 IonicContact CZ-OE2 3.62Å; R85-E114 IonicContact NE-OE1 3.65Å; R85-E114 IonicContact NE-OE2 3.73Å; R85-E114 PolarHBondContact NE-OE2 3.4Å; R85-E114 VanDerWaalsContact NH2-CD 3.27Å; R85-E114 IonicContact NH2-OE1 3.05Å; R85-E114 PolarHBondContact NH2-OE1 2.8Å; R85-E114 IonicContact NH2-OE2 3.37Å; R85-E114 PolarHBondContact NH2-OE2 3.06Å; F109-E114 PolarHBondContact O-N 3.46Å; F110-E114 WeakPolarHBondContact O-CA 3.44Å; E114-R375 IonicContact OE2-NH1 2.69Å
115V92.9Very high91.7Very high0 Ų023.4 Ų23.40%011%0.114CC..  trans-64.4148.1179.9-57.20000111.7P84 V89 F109 F110 F113 V118P84-V115 HydrophobicContact CB-CG1 4.04Å; V89-V115 HydrophobicContact CG2-CB 4.3Å; V89-V115 HydrophobicContact CG2-CG1 4.01Å; F109-V115 HydrophobicContact CB-CG2 3.84Å; F109-V115 HydrophobicContact CD1-CG1 3.93Å; F109-V115 HydrophobicContact CD1-CG2 4.44Å; F109-V115 PolarHBondContact O-N 2.79Å; F110-V115 HydrophobicContact CD1-CG2 3.91Å; F110-V115 WeakPolarHBondContact CD1-O 3.5Å; F110-V115 HydrophobicContact CE1-CG2 3.99Å; F113-V115 VanDerWaalsContact C-N 3.27Å; F113-V115 HydrophobicContact CB-CG1 4.19Å; F113-V115 PolarHBondContact O-N 2.86Å; V115-V118 HydrophobicContact CG2-CG2 3.49Å; V115-V118 VanDerWaalsContact CG2-CG2 3.49Å
116P90.8Very high91.7Very high52 Ų5223.4 Ų23.434%0.33811%0.113SC..SBendtrans-64.6-47.2-179.3-22.333.7000113.5R85 R87 R375R85-P116 WeakPolarHBondContact O-CD 3.3Å; R85-P116 VanDerWaalsContact O-CG 3.29Å; R85-P116 WeakPolarHBondContact O-CG 3.4Å; R87-P116 VanDerWaalsContact O-CD 3.26Å; R87-P116 WeakPolarHBondContact O-CD 3.34Å; P116-R375 PolarHBondContact O-N 3.22Å
117S89.7Confident91.7Very high6 Ų623.3 Ų23.34%0.04211%0.113CC..EExtended strand (participates in β ladder)trans-150.9153.5177.773.10000112.2R88 V89 S372 V373R88-S117 WeakPolarHBondContact CB-OG 3.43Å; R88-S117 WeakPolarHBondContact CD-OG 3.37Å; R88-S117 VanDerWaalsContact CG-OG 3.26Å; R88-S117 WeakPolarHBondContact CG-OG 3.49Å; V89-S117 PolarHBondContact N-O 2.96Å; S117-S372 WeakPolarHBondContact CB-OG 3.37Å; S117-S372 PolarHBondContact OG-OG 3.13Å; S117-S372 VanDerWaalsContact OG-OG 3.08Å; S117-V373 CarbonylContact C-O 3.46Å; S117-V373 VanDerWaalsContact CA-O 3.23Å; S117-V373 WeakPolarHBondContact CA-O 3.35Å; S117-V373 VanDerWaalsContact CB-O 3.32Å; S117-V373 WeakPolarHBondContact CB-O 3.42Å
118V91Very high91.7Very high0 Ų019.1 Ų19.10%010%0.095CC..EExtended strand (participates in β ladder)trans-126.1135.5177.5-179.80000108.6V89 I91 F109 F110 V115 F120 V373V89-V118 WeakPolarHBondContact O-CA 3.4Å; I91-V118 HydrophobicContact CD1-CG1 3.56Å; I91-V118 HydrophobicContact CG1-CG1 4.25Å; F109-V118 HydrophobicContact CB-CG2 3.97Å; F109-V118 HydrophobicContact CG-CG2 4.43Å; F110-V118 HydrophobicContact CE1-CG2 3.93Å; F110-V118 HydrophobicContact CE2-CB 4.42Å; F110-V118 HydrophobicContact CE2-CG2 4.16Å; F110-V118 HydrophobicContact CZ-CB 3.99Å; F110-V118 HydrophobicContact CZ-CG2 3.72Å; V115-V118 HydrophobicContact CG2-CG2 3.49Å; V115-V118 VanDerWaalsContact CG2-CG2 3.49Å; V118-F120 HydrophobicContact CG1-CD2 4.09Å; V118-F120 HydrophobicContact CG1-CE2 3.49Å; V118-F120 VanDerWaalsContact CG1-CE2 3.49Å; V118-F120 HydrophobicContact CG1-CZ 3.87Å; V118-V373 PolarHBondContact N-O 3.11Å; V118-V373 PolarHBondContact O-N 3.21Å
119L89.6Confident91.5Very high13 Ų1321.8 Ų21.87%0.06811%0.108CC..EExtended strand (participates in β ladder)trans-123.7127.4173.3174.266.5000109.3V89 V90 I91 F361 L368 R371V89-L119 PolarHBondContact O-N 2.91Å; V90-L119 HydrophobicContact CG1-CD2 4.19Å; V90-L119 HydrophobicContact CG2-CD2 4.19Å; I91-L119 PolarHBondContact N-O 2.93Å; L119-F361 HydrophobicContact CD2-CD1 3.66Å; L119-F361 HydrophobicContact CD2-CE1 3.43Å; L119-F361 VanDerWaalsContact CD2-CE1 3.43Å; L119-F361 HydrophobicContact CG-CE1 4.47Å; L119-L368 HydrophobicContact CD2-CD2 3.8Å; L119-R371 HydrophobicContact CD1-CB 4.42Å
120F89.9Confident91.3Very high15 Ų1522.3 Ų22.37%0.06611%0.112CC..EExtended strand (participates in β ladder)trans-95.4119.5170.2-70.2-83.5000109I91 E93 R102 L105 T106 V118 I384 W387I91-F120 HydrophobicContact CB-CD1 4.07Å; I91-F120 HydrophobicContact CB-CE1 4.07Å; I91-F120 HydrophobicContact CD1-CE1 3.77Å; I91-F120 HydrophobicContact CD1-CZ 3.83Å; I91-F120 HydrophobicContact CG2-CD1 4.13Å; I91-F120 HydrophobicContact CG2-CE1 3.99Å; I91-F120 CarbonylContact O-C 3.57Å; I91-F120 WeakPolarHBondContact O-CA 3.2Å; E93-F120 HydrophobicContact CG-CD1 4.28Å; E93-F120 WeakPolarHBondContact OE1-CB 3.39Å; R102-F120 HydrophobicContact CG-CD1 3.78Å; R102-F120 HydrophobicContact CG-CD2 4.27Å; R102-F120 HydrophobicContact CG-CE1 3.45Å; R102-F120 VanDerWaalsContact CG-CE1 3.45Å; R102-F120 HydrophobicContact CG-CE2 4Å; R102-F120 HydrophobicContact CG-CG 4.17Å; R102-F120 HydrophobicContact CG-CZ 3.57Å; L105-F120 HydrophobicContact CD2-CE1 4.07Å; T106-F120 WeakPolarHBondContact OG1-CZ 3.03Å; V118-F120 HydrophobicContact CG1-CD2 4.09Å; V118-F120 HydrophobicContact CG1-CE2 3.49Å; V118-F120 VanDerWaalsContact CG1-CE2 3.49Å; V118-F120 HydrophobicContact CG1-CZ 3.87Å; F120-I384 HydrophobicContact CD2-CD1 4.18Å; F120-I384 HydrophobicContact CD2-CG2 3.95Å; F120-I384 HydrophobicContact CE2-CD1 3.57Å; F120-I384 HydrophobicContact CE2-CG2 4.19Å; F120-W387 WeakPolarHBondContact O-CZ2 3.33Å
121A88.9Confident91Very high2 Ų224.1 Ų24.12%0.01712%0.121CC..EExtended strand (participates in β ladder)trans-118.1128.1-17800000110V90 I91 I92 E93 S123 M126V90-A121 HydrophobicContact CG1-CB 4.24Å; I91-A121 PolarHBondContact O-N 2.93Å; I92-A121 WeakPolarHBondContact CA-O 3.04Å; E93-A121 PolarHBondContact N-O 3.03Å; A121-S123 PolarHBondContact O-N 3.25Å; A121-M126 HydrophobicContact CB-CE 4.05Å; A121-M126 HydrophobicContact CB-CG 3.91Å; A121-M126 HydrophobicContact CB-SD 3.77Å
122P90.1Very high90.8Very high5 Ų521 Ų213%0.03212%0.123CC..EExtended strand (participates in β ladder)trans-73.2130.7-179.524.7-28.2000111.3E93 I95 H124 L125 M126 W387E93-P122 WeakPolarHBondContact O-CA 3.48Å; I95-P122 HydrophobicContact CD1-CB 4Å; I95-P122 HydrophobicContact CG1-CB 3.55Å; P122-H124 VanDerWaalsContact C-N 3.3Å; P122-H124 PolarHBondContact O-N 3.24Å; P122-L125 HydrophobicContact CG-CB 3.82Å; P122-L125 HydrophobicContact CG-CD2 4.17Å; P122-L125 PolarHBondContact O-N 2.96Å; P122-L125 VanDerWaalsContact O-N 3.15Å; P122-M126 WeakPolarHBondContact O-CG 3.25Å; P122-M126 PolarHBondContact O-N 2.92Å; P122-M126 VanDerWaalsContact O-N 3.12Å; P122-W387 HydrophobicContact CG-CZ2 4.19Å
123S92.5Very high90.7Very high7 Ų719.2 Ų19.25%0.04912%0.115CC..Hα-helixtrans-47.6-47.2-177.9174.90000113.5E93 A121 L125 M126 A127 D140 A354E93-S123 PolarHBondContact O-N 3.49Å; A121-S123 PolarHBondContact O-N 3.25Å; S123-L125 PolarHBondContact O-N 3.38Å; S123-M126 WeakPolarHBondContact O-CB 3.36Å; S123-M126 PolarHBondContact O-N 3.25Å; S123-A127 PolarHBondContact O-N 2.88Å; S123-D140 PolarHBondContact OG-OD2 3.35Å; S123-A354 VanDerWaalsContact OG-CB 3.3Å; S123-A354 WeakPolarHBondContact OG-CB 3.44Å
124H92.3Very high90.6Very high0 Ų022.5 Ų22.50%013%0.134CC..Hα-helixtrans-65.2-40.3-175.8-60.270.9000112.5P122 A127 I128 V138 D140 L147 L149P122-H124 VanDerWaalsContact C-N 3.3Å; P122-H124 PolarHBondContact O-N 3.24Å; H124-A127 PolarHBondContact O-N 3.45Å; H124-I128 PolarHBondContact O-N 3.04Å; H124-V138 HydrophobicContact CB-CB 4.16Å; H124-V138 HydrophobicContact CB-CG1 4.22Å; H124-D140 WeakPolarHBondContact NE2-CB 3.48Å; H124-L147 WeakPolarHBondContact CE1-CD2 3.29Å; H124-L149 HydrophobicContact CB-CB 4.14Å; H124-L149 HydrophobicContact CB-CD2 3.61Å; H124-L149 VanDerWaalsContact CD2-CB 3.47Å; H124-L149 WeakPolarHBondContact CD2-CB 3.48Å
125L90.4Very high90.6Very high20 Ų2019.5 Ų19.511%0.10512%0.12CC..Hα-helixtrans-67.8-42.2176.4-176.261.8000110.4P122 S123 A127 I128 M129 V151 C154P122-L125 HydrophobicContact CG-CB 3.82Å; P122-L125 HydrophobicContact CG-CD2 4.17Å; P122-L125 PolarHBondContact O-N 2.96Å; P122-L125 VanDerWaalsContact O-N 3.15Å; S123-L125 PolarHBondContact O-N 3.38Å; L125-A127 VanDerWaalsContact C-N 3.29Å; L125-A127 PolarHBondContact O-N 2.84Å; L125-I128 PolarHBondContact O-N 2.99Å; L125-M129 VanDerWaalsContact O-CG 3.29Å; L125-M129 WeakPolarHBondContact O-CG 3.24Å; L125-M129 PolarHBondContact O-N 3.03Å; L125-V151 HydrophobicContact CD1-CG1 4.14Å; L125-C154 HydrophobicContact CD1-CB 4.37Å; L125-C154 WeakPolarHBondContact CD1-O 3.43Å
126M91.6Very high90.6Very high1 Ų119.5 Ų19.51%0.00512%0.12CC..Hα-helixtrans-60.8-40.7177.4-64-56.798.800111.2A121 P122 S123 I128 M129 S130 A354 G357 F361A121-M126 HydrophobicContact CB-CE 4.05Å; A121-M126 HydrophobicContact CB-CG 3.91Å; A121-M126 HydrophobicContact CB-SD 3.77Å; P122-M126 WeakPolarHBondContact O-CG 3.25Å; P122-M126 PolarHBondContact O-N 2.92Å; P122-M126 VanDerWaalsContact O-N 3.12Å; S123-M126 WeakPolarHBondContact O-CB 3.36Å; S123-M126 PolarHBondContact O-N 3.25Å; M126-I128 VanDerWaalsContact C-N 3.34Å; M126-I128 PolarHBondContact O-N 3.42Å; M126-M129 PolarHBondContact O-N 3.28Å; M126-S130 PolarHBondContact O-N 3.27Å; M126-A354 WeakPolarHBondContact CB-O 3.34Å; M126-G357 WeakPolarHBondContact O-CA 3.44Å; M126-F361 HydrophobicContact CE-CB 4.4Å; M126-F361 HydrophobicContact CE-CD1 4.25Å; M126-F361 HydrophobicContact CE-CD2 3.92Å; M126-F361 HydrophobicContact CE-CE1 4.44Å; M126-F361 HydrophobicContact CE-CE2 4.13Å; M126-F361 HydrophobicContact CE-CG 3.96Å; M126-F361 HydrophobicContact CE-CZ 4.37Å; M126-F361 HydrophobicContact SD-CB 3.67Å; M126-F361 HydrophobicContact SD-CD1 4.16Å; M126-F361 HydrophobicContact SD-CD2 4.3Å; M126-F361 HydrophobicContact SD-CG 3.83Å
127A92.4Very high90.8Very high0 Ų017 Ų170%011%0.105CC..Hα-helixtrans-59.5-42.7176.100000113S123 H124 L125 S130 V138 I306 T353S123-A127 PolarHBondContact O-N 2.88Å; H124-A127 PolarHBondContact O-N 3.45Å; L125-A127 VanDerWaalsContact C-N 3.29Å; L125-A127 PolarHBondContact O-N 2.84Å; A127-S130 WeakPolarHBondContact O-CB 3.37Å; A127-S130 PolarHBondContact O-N 3.44Å; A127-S130 PolarHBondContact O-OG 3.04Å; A127-V138 HydrophobicContact CB-CG1 4.18Å; A127-I306 HydrophobicContact CB-CD1 3.73Å; A127-I306 HydrophobicContact CB-CG2 3.8Å; A127-T353 HydrophobicContact CB-CG2 4.11Å
128I91.7Very high91Very high0 Ų016.8 Ų16.80%010%0.103CC..Hα-helixtrans-65.1-42.2175.7-82.7173.1000112H124 L125 M126 S130 L131 G132 I133 V138 V151H124-I128 PolarHBondContact O-N 3.04Å; L125-I128 PolarHBondContact O-N 2.99Å; M126-I128 VanDerWaalsContact C-N 3.34Å; M126-I128 PolarHBondContact O-N 3.42Å; I128-S130 PolarHBondContact O-N 3.23Å; I128-L131 PolarHBondContact O-N 3.26Å; I128-G132 PolarHBondContact O-N 3.05Å; I128-I133 HydrophobicContact CG1-CG1 4.49Å; I128-I133 HydrophobicContact CG2-CG1 4.03Å; I128-I133 WeakPolarHBondContact CG2-O 3.35Å; I128-V138 HydrophobicContact CD1-CG2 3.43Å; I128-V138 VanDerWaalsContact CD1-CG2 3.43Å; I128-V138 HydrophobicContact CG1-CG2 3.51Å; I128-V151 HydrophobicContact CD1-CB 3.34Å; I128-V151 HydrophobicContact CD1-CG1 3.78Å; I128-V151 HydrophobicContact CD1-CG2 3.68Å
129M88.6Confident91.2Very high55 Ų5516.8 Ų16.827%0.27110%0.103SC..Hα-helixtrans-60.1-32.8176.7-68.4-63.1-66.700112L125 M126 L131 G132L125-M129 VanDerWaalsContact O-CG 3.29Å; L125-M129 WeakPolarHBondContact O-CG 3.24Å; L125-M129 PolarHBondContact O-N 3.03Å; M126-M129 PolarHBondContact O-N 3.28Å; M129-L131 VanDerWaalsContact C-N 3.25Å; M129-L131 PolarHBondContact O-N 2.95Å; M129-G132 PolarHBondContact O-N 3.11Å
130S89.8Confident91.4Very high14 Ų1417.5 Ų17.510%0.09811%0.107CC..Hα-helixtrans-65.2-27.7176.6820000113.8M126 A127 I128 T353M126-S130 PolarHBondContact O-N 3.27Å; A127-S130 WeakPolarHBondContact O-CB 3.37Å; A127-S130 PolarHBondContact O-N 3.44Å; A127-S130 PolarHBondContact O-OG 3.04Å; I128-S130 PolarHBondContact O-N 3.23Å; S130-T353 WeakPolarHBondContact OG-CG2 3.46Å
131L88.6Confident91.6Very high42 Ų4216.8 Ų16.822%0.2210%0.104CC..Hα-helixtrans-90-14.9178.9-78.4169.5000113I128 M129 I133 V304 H344 P346I128-L131 PolarHBondContact O-N 3.26Å; M129-L131 VanDerWaalsContact C-N 3.25Å; M129-L131 PolarHBondContact O-N 2.95Å; L131-I133 VanDerWaalsContact C-N 3.27Å; L131-I133 HydrophobicContact CB-CD1 4.29Å; L131-I133 HydrophobicContact CB-CG1 4.07Å; L131-I133 HydrophobicContact CB-CG2 4.39Å; L131-I133 HydrophobicContact CD1-CD1 4.11Å; L131-I133 PolarHBondContact O-N 3.29Å; L131-V304 HydrophobicContact CD1-CB 4.19Å; L131-V304 HydrophobicContact CD1-CG1 3.68Å; L131-V304 HydrophobicContact CD1-CG2 3.39Å; L131-H344 HydrophobicContact CD1-CB 4.06Å; L131-H344 HydrophobicContact CD2-CB 4.42Å; L131-P346 HydrophobicContact CD2-CB 4.45Å
132G87.6Confident91.7Very high54 Ų5417.7 Ų17.756%0.55711%0.113SC*.THydrogen-bonded Turntrans67.625.9-175.800000113.8I128 M129I128-G132 PolarHBondContact O-N 3.05Å; M129-G132 PolarHBondContact O-N 3.11Å
133I90.7Very high91.8Very high33 Ų3319.1 Ų19.117%0.16912%0.118CC..  trans-101.3151.1173.664.9-179.1000109.8I128 L131 N302 V304I128-I133 HydrophobicContact CG1-CG1 4.49Å; I128-I133 HydrophobicContact CG2-CG1 4.03Å; I128-I133 WeakPolarHBondContact CG2-O 3.35Å; L131-I133 VanDerWaalsContact C-N 3.27Å; L131-I133 HydrophobicContact CB-CD1 4.29Å; L131-I133 HydrophobicContact CB-CG1 4.07Å; L131-I133 HydrophobicContact CB-CG2 4.39Å; L131-I133 HydrophobicContact CD1-CD1 4.11Å; L131-I133 PolarHBondContact O-N 3.29Å; I133-N302 HydrophobicContact CD1-CB 4.3Å; I133-V304 HydrophobicContact CD1-CG2 3.97Å
134N90.3Very high91.7Very high82 Ų8221.6 Ų21.644%0.43913%0.133SC..SBendtrans-90.3-32.6179.4-68.23.7000112.7E153 C154N134-E153 PolarHBondContact ND2-OE2 3Å; N134-E153 PolarHBondContact O-N 3.37Å; N134-C154 PolarHBondContact O-N 3.23Å
135S92.5Very high91.7Very high8 Ų824.5 Ų24.56%0.05615%0.146CC..SBendtrans-131.4130.2-171.5-61.60000109.8V151 Y152 E153 N302S135-V151 CarbonylContact C-O 3.45Å; S135-V151 WeakPolarHBondContact CA-O 3.36Å; S135-Y152 WeakPolarHBondContact OG-CD2 3.33Å; S135-E153 PolarHBondContact OG-N 3.18Å; S135-N302 WeakPolarHBondContact O-CB 3.29Å; S135-N302 PolarHBondContact O-ND2 2.92Å
136G93.3Very high91.8Very high0 Ų023.6 Ų23.60%014%0.142CC..EExtended strand (participates in β ladder)trans-173.2156.917900000113V151 L299 N302G136-V151 PolarHBondContact N-O 3.4Å; G136-V151 PolarHBondContact O-N 3.28Å; G136-V151 VanDerWaalsContact O-O 3.06Å; G136-L299 VanDerWaalsContact C-CD2 3.47Å; G136-L299 WeakPolarHBondContact O-CD2 2.87Å; G136-N302 CarbonylContact C-O 3.56Å; G136-N302 WeakPolarHBondContact CA-O 3.17Å
137L94.7Very high92Very high1 Ų123.8 Ų23.81%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-93.5120.9172.1-174.460.8000108.3V148 P150 V284 A287 L299 N302 L303 V304L137-V148 HydrophobicContact CD1-CG1 3.52Å; L137-V148 HydrophobicContact CD2-CG1 4.43Å; L137-V148 HydrophobicContact CG-CG1 4.01Å; L137-P150 HydrophobicContact CD1-CB 3.77Å; L137-P150 HydrophobicContact CD1-CG 4.34Å; L137-V284 HydrophobicContact CD2-CG1 3.6Å; L137-A287 HydrophobicContact CD1-CB 4.43Å; L137-L299 HydrophobicContact CB-CB 4.41Å; L137-N302 PolarHBondContact N-O 3.41Å; L137-L303 HydrophobicContact CB-CD1 4.01Å; L137-L303 HydrophobicContact CD2-CD1 4.03Å; L137-L303 HydrophobicContact CG-CD1 4Å; L137-V304 PolarHBondContact O-N 2.9Å
138V95Very high92.1Very high0 Ų023.8 Ų23.80%014%0.143CC..EExtended strand (participates in β ladder)trans-107.5125.4-179.3-173.40000109.4H124 A127 I128 V148 L149 V304 I306H124-V138 HydrophobicContact CB-CB 4.16Å; H124-V138 HydrophobicContact CB-CG1 4.22Å; A127-V138 HydrophobicContact CB-CG1 4.18Å; I128-V138 HydrophobicContact CD1-CG2 3.43Å; I128-V138 VanDerWaalsContact CD1-CG2 3.43Å; I128-V138 HydrophobicContact CG1-CG2 3.51Å; V138-V148 WeakPolarHBondContact O-CA 3.45Å; V138-L149 PolarHBondContact N-O 3.23Å; V138-L149 PolarHBondContact O-N 3.42Å; V138-V304 CarbonylContact C-O 3.57Å; V138-V304 WeakPolarHBondContact CA-O 3.49Å; V138-V304 HydrophobicContact CG2-CB 4.28Å; V138-I306 HydrophobicContact CG1-CD1 3.73Å; V138-I306 HydrophobicContact CG1-CG1 4.05Å
139M94.6Very high92.3Very high0 Ų023.9 Ų23.90%014%0.143CC..EExtended strand (participates in β ladder)trans-108.6116.6170.4-176.8175.877.800109.3C141 T146 L147 V148 V280 V284 V304 I305 I306 F315 L319M139-C141 VanDerWaalsContact CE-SG 3.57Å; M139-T146 HydrophobicContact CG-CG2 3.94Å; M139-T146 HydrophobicContact SD-CG2 4.31Å; M139-L147 CarbonylContact C-O 3.6Å; M139-L147 WeakPolarHBondContact CA-O 3.32Å; M139-V148 HydrophobicContact CB-CG2 3.97Å; M139-V148 HydrophobicContact CG-CG2 3.7Å; M139-V148 HydrophobicContact SD-CG2 4.3Å; M139-V280 HydrophobicContact CE-CG1 4.02Å; M139-V280 HydrophobicContact SD-CG1 3.65Å; M139-V284 HydrophobicContact SD-CG2 3.68Å; M139-V304 PolarHBondContact N-O 3.42Å; M139-I305 HydrophobicContact CE-CD1 4.32Å; M139-I305 HydrophobicContact CE-CG1 4.12Å; M139-I305 HydrophobicContact CE-CG2 3.75Å; M139-I305 WeakPolarHBondContact O-CA 3.17Å; M139-I306 PolarHBondContact O-N 3.07Å; M139-F315 HydrophobicContact CE-CE1 3.71Å; M139-F315 HydrophobicContact CE-CZ 3.88Å; M139-L319 HydrophobicContact CE-CD1 4.23Å; M139-L319 HydrophobicContact CE-CD2 3.36Å; M139-L319 HydrophobicContact CE-CG 4.43Å; M139-L319 HydrophobicContact SD-CD2 4.36Å
140D94.5Very high92.6Very high28 Ų2821.2 Ų21.215%0.1513%0.13CC..EExtended strand (participates in β ladder)trans-102.3102.9174.8-169.2-2.4000110.5S123 H124 G142 T146 L147 I306 G307S123-D140 PolarHBondContact OG-OD2 3.35Å; H124-D140 WeakPolarHBondContact NE2-CB 3.48Å; D140-G142 PolarHBondContact O-N 2.94Å; D140-T146 CarbonylContact O-C 3.57Å; D140-T146 VanDerWaalsContact O-CA 3.29Å; D140-T146 WeakPolarHBondContact O-CA 3.17Å; D140-L147 PolarHBondContact N-O 3.12Å; D140-L147 PolarHBondContact O-N 3.47Å; D140-I306 HydrophobicContact CB-CD1 3.89Å; D140-I306 HydrophobicContact CB-CG1 3.64Å; D140-G307 WeakPolarHBondContact OD1-CA 3.48Å
141C93.6Very high92.7Very high1 Ų120.6 Ų20.61%0.00713%0.125CC..EExtended strand (participates in β ladder)trans-90.285.1174.8-650000110.3M139 T146 I306 G307 G308 T309M139-C141 VanDerWaalsContact CE-SG 3.57Å; C141-T146 HydrophobicContact CB-CG2 4.42Å; C141-T146 WeakPolarHBondContact SG-CG2 3.48Å; C141-I306 PolarHBondContact N-O 3.29Å; C141-G307 CarbonylContact O-C 3.59Å; C141-G307 WeakPolarHBondContact O-CA 3.4Å; C141-G308 PolarHBondContact O-N 3.12Å; C141-T309 PolarHBondContact O-N 3Å; C141-T309 PolarHBondContact O-OG1 2.83Å
142G91.8Very high92.9Very high20 Ų2022.6 Ų22.621%0.20613%0.131CC..  trans-82.1-166-177.700000114.6D140 E145 G167 G168 T309D140-G142 PolarHBondContact O-N 2.94Å; G142-E145 WeakPolarHBondContact CA-O 3.33Å; G142-E145 PolarHBondContact N-O 2.93Å; G142-G167 WeakPolarHBondContact O-CA 3.49Å; G142-G168 PolarHBondContact O-N 2.64Å; G142-G168 VanDerWaalsContact O-N 3.16Å; G142-T309 PolarHBondContact O-OG1 2.91Å
143Y91.7Very high93.1Very high35 Ų3524.8 Ų24.814%0.13713%0.126CC..SBendtrans-81.3-46.5176.3175.5-94.9000111.9A22 A23 K53 G167 G168 K169 H172 E204A22-Y143 HydrophobicContact CB-CD1 3.96Å; A23-Y143 HydrophobicContact CB-CD1 4.21Å; A23-Y143 HydrophobicContact CB-CD2 3.69Å; A23-Y143 HydrophobicContact CB-CE2 4.29Å; A23-Y143 HydrophobicContact CB-CG 3.65Å; K53-Y143 PolarHBondContact NZ-OH 3.43Å; Y143-G167 CarbonylContact O-C 3.56Å; Y143-G168 PolarHBondContact O-N 3.29Å; Y143-K169 HydrophobicContact CD1-CB 4.27Å; Y143-K169 HydrophobicContact CE1-CB 3.81Å; Y143-K169 HydrophobicContact CE1-CD 4.34Å; Y143-K169 HydrophobicContact CE1-CG 4.24Å; Y143-K169 HydrophobicContact CE2-CB 4.35Å; Y143-K169 WeakPolarHBondContact O-CB 3.31Å; Y143-K169 PolarHBondContact O-N 3.16Å; Y143-H172 AromaticContact CE2-CE1 3.78Å; Y143-H172 AromaticContact CE2-ND1 3.75Å; Y143-E204 VanDerWaalsContact CZ-OE1 3.26Å; Y143-E204 PolarHBondContact OH-OE1 2.83Å
144T90.7Very high92.8Very high59 Ų5925.4 Ų25.436%0.36213%0.133SC..SBendtrans-82.4-41-177.3-52.50000112.6A22A22-T144 WeakPolarHBondContact CB-OG1 3.48Å
145E91.6Very high92.7Very high61 Ų6127.1 Ų27.129%0.28514%0.141SC..  trans-149.5161.4-171.563.8-172.916700110.4G142 L164G142-E145 WeakPolarHBondContact CA-O 3.33Å; G142-E145 PolarHBondContact N-O 2.93Å; E145-L164 CarbonylContact C-O 3.51Å; E145-L164 VanDerWaalsContact CA-O 3.29Å; E145-L164 WeakPolarHBondContact CA-O 3.5Å; E145-L164 WeakPolarHBondContact CB-O 3.33Å
146T93.6Very high92.6Very high1 Ų128.3 Ų28.31%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-104.6122.8163.9-67.30000108.5M139 D140 C141 A163 L164 L166 V280 L283M139-T146 HydrophobicContact CG-CG2 3.94Å; M139-T146 HydrophobicContact SD-CG2 4.31Å; D140-T146 CarbonylContact O-C 3.57Å; D140-T146 VanDerWaalsContact O-CA 3.29Å; D140-T146 WeakPolarHBondContact O-CA 3.17Å; C141-T146 HydrophobicContact CB-CG2 4.42Å; C141-T146 WeakPolarHBondContact SG-CG2 3.48Å; T146-A163 CarbonylContact O-C 3.44Å; T146-A163 VanDerWaalsContact O-CA 3.3Å; T146-A163 WeakPolarHBondContact O-CA 3.19Å; T146-L164 PolarHBondContact N-O 3.16Å; T146-L164 PolarHBondContact O-N 3.41Å; T146-L166 WeakPolarHBondContact CB-O 3.46Å; T146-L166 PolarHBondContact N-O 2.85Å; T146-L166 PolarHBondContact OG1-O 3.49Å; T146-V280 HydrophobicContact CG2-CG1 4.29Å; T146-L283 HydrophobicContact CG2-CD2 4.06Å
147L94.4Very high92.5Very high5 Ų529.9 Ų29.93%0.02616%0.157CC..EExtended strand (participates in β ladder)trans-115.5132.8-178.3175.456000109.5L96 H124 M139 D140 W161 E162 A163L96-L147 HydrophobicContact CD1-CD1 3.79Å; L96-L147 HydrophobicContact CD1-CD2 3.96Å; L96-L147 HydrophobicContact CD1-CG 4.49Å; L96-L147 HydrophobicContact CG-CD1 4.42Å; L96-L147 HydrophobicContact CG-CD2 4.03Å; H124-L147 WeakPolarHBondContact CE1-CD2 3.29Å; M139-L147 CarbonylContact C-O 3.6Å; M139-L147 WeakPolarHBondContact CA-O 3.32Å; D140-L147 PolarHBondContact N-O 3.12Å; D140-L147 PolarHBondContact O-N 3.47Å; L147-W161 HydrophobicContact CD1-CE3 3.85Å; L147-E162 WeakPolarHBondContact CD1-O 3.26Å; L147-A163 HydrophobicContact CD1-CB 4.07Å
148V95.4Very high92.2Very high0 Ų033 Ų330%017%0.173CC..EExtended strand (participates in β ladder)trans-113.1126.7171.1176.40000108.6L137 V138 M139 W161 E162 L283 V284 A287L137-V148 HydrophobicContact CD1-CG1 3.52Å; L137-V148 HydrophobicContact CD2-CG1 4.43Å; L137-V148 HydrophobicContact CG-CG1 4.01Å; V138-V148 WeakPolarHBondContact O-CA 3.45Å; M139-V148 HydrophobicContact CB-CG2 3.97Å; M139-V148 HydrophobicContact CG-CG2 3.7Å; M139-V148 HydrophobicContact SD-CG2 4.3Å; V148-W161 WeakPolarHBondContact O-CA 3.49Å; V148-E162 PolarHBondContact N-O 3.22Å; V148-E162 PolarHBondContact O-N 2.84Å; V148-E162 VanDerWaalsContact O-N 3.12Å; V148-L283 HydrophobicContact CB-CD2 4.39Å; V148-L283 HydrophobicContact CB-CG 4.31Å; V148-L283 HydrophobicContact CG2-CB 4.21Å; V148-L283 HydrophobicContact CG2-CD2 3.7Å; V148-L283 HydrophobicContact CG2-CG 3.81Å; V148-V284 HydrophobicContact CG2-CG2 4.21Å; V148-A287 HydrophobicContact CB-CB 4.27Å; V148-A287 HydrophobicContact CG1-CB 3.55Å
149L94.4Very high91.9Very high2 Ų238.2 Ų38.21%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-131.3120175.3-172.381.3000111.3I95 H124 V138 V151 P156 L158 W161I95-L149 HydrophobicContact CD1-CD1 4.13Å; I95-L149 HydrophobicContact CD1-CD2 3.1Å; I95-L149 HydrophobicContact CD1-CG 4.14Å; H124-L149 HydrophobicContact CB-CB 4.14Å; H124-L149 HydrophobicContact CB-CD2 3.61Å; H124-L149 VanDerWaalsContact CD2-CB 3.47Å; H124-L149 WeakPolarHBondContact CD2-CB 3.48Å; V138-L149 PolarHBondContact N-O 3.23Å; V138-L149 PolarHBondContact O-N 3.42Å; L149-V151 HydrophobicContact CD2-CG2 4.04Å; L149-P156 HydrophobicContact CD1-CB 4.47Å; L149-P156 HydrophobicContact CD2-CB 3.65Å; L149-P156 HydrophobicContact CG-CB 4.32Å; L149-L158 HydrophobicContact CD1-CD2 4.45Å; L149-W161 HydrophobicContact CD1-CB 3.95Å
150P94.9Very high91.8Very high0 Ų038.2 Ų38.20%021%0.207CC..EExtended strand (participates in β ladder)trans-75.7134.2168.423.6-24.6000111.4L137 I157 A160 C291 L299L137-P150 HydrophobicContact CD1-CB 3.77Å; L137-P150 HydrophobicContact CD1-CG 4.34Å; P150-I157 HydrophobicContact CB-CD1 4.49Å; P150-I157 HydrophobicContact CG-CB 4.13Å; P150-I157 PolarHBondContact O-N 3.15Å; P150-A160 WeakPolarHBondContact CD-O 3.48Å; P150-A160 HydrophobicContact CG-CB 3.62Å; P150-C291 VanDerWaalsContact CB-SG 3.55Å; P150-C291 WeakPolarHBondContact CG-SG 3.34Å; P150-L299 HydrophobicContact CB-CD1 3.78Å; P150-L299 HydrophobicContact CB-CD2 4.1Å
151V93.1Very high91.7Very high0 Ų042.1 Ų42.10%022%0.22CC..EExtended strand (participates in β ladder)trans-125.3128.9173.7178.60000108.6L125 I128 S135 G136 L149 I155 P156 L299L125-V151 HydrophobicContact CD1-CG1 4.14Å; I128-V151 HydrophobicContact CD1-CB 3.34Å; I128-V151 HydrophobicContact CD1-CG1 3.78Å; I128-V151 HydrophobicContact CD1-CG2 3.68Å; S135-V151 CarbonylContact C-O 3.45Å; S135-V151 WeakPolarHBondContact CA-O 3.36Å; G136-V151 PolarHBondContact N-O 3.4Å; G136-V151 PolarHBondContact O-N 3.28Å; G136-V151 VanDerWaalsContact O-O 3.06Å; L149-V151 HydrophobicContact CD2-CG2 4.04Å; V151-I155 WeakPolarHBondContact CA-O 3.31Å; V151-P156 HydrophobicContact CG2-CB 4.35Å; V151-L299 VanDerWaalsContact O-CD2 3.26Å; V151-L299 WeakPolarHBondContact O-CD2 3.45Å
152Y93.2Very high91.7Very high85 Ų8543.9 Ų43.933%0.33323%0.228SC..EExtended strand (participates in β ladder)trans-128.3127.4-179.5-173.3-96.7000109.2S135 C154 I155 T295 A298S135-Y152 WeakPolarHBondContact OG-CD2 3.33Å; Y152-C154 PolarHBondContact O-N 2.87Å; Y152-I155 PolarHBondContact N-O 3.2Å; Y152-I155 PolarHBondContact O-N 3.5Å; Y152-T295 HydrophobicContact CD1-CG2 3.94Å; Y152-T295 HydrophobicContact CD2-CG2 3.73Å; Y152-T295 HydrophobicContact CE1-CG2 4.12Å; Y152-T295 HydrophobicContact CE2-CG2 3.91Å; Y152-T295 HydrophobicContact CG-CG2 3.75Å; Y152-A298 HydrophobicContact CD2-CB 4.5Å; Y152-A298 HydrophobicContact CE2-CB 4.07Å
153E90.6Very high91.8Very high99 Ų9944.3 Ų44.346%0.46323%0.23SC..THydrogen-bonded Turntrans48.246.1-174.9-61.8-59.2149.200112.9N134 S135 I155N134-E153 PolarHBondContact ND2-OE2 3Å; N134-E153 PolarHBondContact O-N 3.37Å; S135-E153 PolarHBondContact OG-N 3.18Å; E153-I155 PolarHBondContact O-N 3.38Å; E153-I155 VanDerWaalsContact O-N 3.16Å
154C85.5Confident91.8Very high47 Ų4743.3 Ų43.332%0.31823%0.226SC..THydrogen-bonded Turntrans62.313.6-177.2-55.60000115.4L125 N134 Y152L125-C154 HydrophobicContact CD1-CB 4.37Å; L125-C154 WeakPolarHBondContact CD1-O 3.43Å; N134-C154 PolarHBondContact O-N 3.23Å; Y152-C154 PolarHBondContact O-N 2.87Å
155I87.9Confident91.8Very high117 Ų11745.4 Ų45.460%0.624%0.241SC*.EExtended strand (participates in β ladder)trans-110.4123.5175.4-59.5172.1000109.1V151 Y152 E153 I157V151-I155 WeakPolarHBondContact CA-O 3.31Å; Y152-I155 PolarHBondContact N-O 3.2Å; Y152-I155 PolarHBondContact O-N 3.5Å; E153-I155 PolarHBondContact O-N 3.38Å; E153-I155 VanDerWaalsContact O-N 3.16Å; I155-I157 PolarHBondContact O-N 3.41Å
156P90.1Very high91.7Very high33 Ų3343.4 Ų43.421%0.21423%0.232CC..EExtended strand (participates in β ladder)trans-70.5130175.629.2-33.3000110.6L149 V151 L158L149-P156 HydrophobicContact CD1-CB 4.47Å; L149-P156 HydrophobicContact CD2-CB 3.65Å; L149-P156 HydrophobicContact CG-CB 4.32Å; V151-P156 HydrophobicContact CG2-CB 4.35Å; P156-L158 VanDerWaalsContact C-N 3.29Å; P156-L158 HydrophobicContact CB-CD2 4.44Å; P156-L158 PolarHBondContact O-N 3.11Å
157I90.7Very high91.5Very high34 Ų3443.4 Ų43.417%0.17423%0.232CC..  trans-8480.5174.5-53.1174.5000107.5P150 I155 P159 A160 T295 L299P150-I157 HydrophobicContact CB-CD1 4.49Å; P150-I157 HydrophobicContact CG-CB 4.13Å; P150-I157 PolarHBondContact O-N 3.15Å; I155-I157 PolarHBondContact O-N 3.41Å; I157-P159 VanDerWaalsContact C-CD 3.42Å; I157-P159 VanDerWaalsContact C-N 3.33Å; I157-A160 HydrophobicContact CB-CB 4.46Å; I157-A160 HydrophobicContact CG2-CB 3.87Å; I157-A160 PolarHBondContact O-N 3.27Å; I157-T295 HydrophobicContact CD1-CG2 4.39Å; I157-L299 HydrophobicContact CD1-CD1 4.4Å
158L88.9Confident91.3Very high66 Ų6643.2 Ų43.235%0.34623%0.232SC..G310 helixtrans-52.6-39.8-175.9-68.3177.5000114I95 L149 P156 A160 W161I95-L158 HydrophobicContact CG2-CD2 3.88Å; L149-L158 HydrophobicContact CD1-CD2 4.45Å; P156-L158 VanDerWaalsContact C-N 3.29Å; P156-L158 HydrophobicContact CB-CD2 4.44Å; P156-L158 PolarHBondContact O-N 3.11Å; L158-A160 PolarHBondContact O-N 3.04Å; L158-A160 VanDerWaalsContact O-N 3.16Å; L158-W161 PolarHBondContact O-N 3.49Å
159P89.6Confident91.1Very high110 Ų11049.2 Ų49.271%0.71426%0.258SS*.G310 helixtrans-65.2-18.5179.9-23.635000115.1I157I157-P159 VanDerWaalsContact C-CD 3.42Å; I157-P159 VanDerWaalsContact C-N 3.33Å
160A91.6Very high90.9Very high0 Ų050.3 Ų50.30%027%0.267CS..G310 helixtrans-101.215-175.900000113.2P150 I157 L158 A287 K290P150-A160 WeakPolarHBondContact CD-O 3.48Å; P150-A160 HydrophobicContact CG-CB 3.62Å; I157-A160 HydrophobicContact CB-CB 4.46Å; I157-A160 HydrophobicContact CG2-CB 3.87Å; I157-A160 PolarHBondContact O-N 3.27Å; L158-A160 PolarHBondContact O-N 3.04Å; L158-A160 VanDerWaalsContact O-N 3.16Å; A160-A287 WeakPolarHBondContact O-CB 3.44Å; A160-K290 HydrophobicContact CB-CB 3.72Å
161W92.3Very high90.8Very high109 Ų10950.3 Ų50.341%0.41327%0.267SS..  trans-68.5150171.378.2-66000111.7L96 L147 V148 L149 L158 A163L96-W161 HydrophobicContact CD1-CE3 3.69Å; L96-W161 HydrophobicContact CD1-CH2 4.05Å; L96-W161 HydrophobicContact CD1-CZ3 3.32Å; L96-W161 HydrophobicContact CD2-CD2 4.15Å; L96-W161 HydrophobicContact CD2-CE3 3.92Å; L96-W161 HydrophobicContact CD2-CH2 4.02Å; L96-W161 HydrophobicContact CD2-CZ2 4.25Å; L96-W161 HydrophobicContact CD2-CZ3 3.87Å; L96-W161 HydrophobicContact CG-CE3 4.37Å; L96-W161 HydrophobicContact CG-CZ3 4.23Å; L147-W161 HydrophobicContact CD1-CE3 3.85Å; V148-W161 WeakPolarHBondContact O-CA 3.49Å; L149-W161 HydrophobicContact CD1-CB 3.95Å; L158-W161 PolarHBondContact O-N 3.49Å; W161-A163 HydrophobicContact CE3-CB 4.08Å; W161-A163 HydrophobicContact CZ3-CB 3.63Å
162E93.4Very high90.7Very high39 Ų3950.8 Ų50.818%0.18227%0.269CS..EExtended strand (participates in β ladder)trans-141.9142.3171.5-63.7-74-16900109.8L147 V148 L283 D286 A287 K290L147-E162 WeakPolarHBondContact CD1-O 3.26Å; V148-E162 PolarHBondContact N-O 3.22Å; V148-E162 PolarHBondContact O-N 2.84Å; V148-E162 VanDerWaalsContact O-N 3.12Å; E162-L283 HydrophobicContact CB-CD1 3.34Å; E162-L283 HydrophobicContact CB-CG 3.74Å; E162-L283 HydrophobicContact CG-CD1 4.24Å; E162-D286 HydrophobicContact CG-CB 4.31Å; E162-A287 HydrophobicContact CB-CB 4.41Å; E162-A287 HydrophobicContact CG-CB 3.86Å; E162-K290 HydrophobicContact CG-CD 4.44Å; E162-K290 WeakPolarHBondContact OE1-CD 3.34Å; E162-K290 WeakPolarHBondContact OE1-CE 3.47Å; E162-K290 IonicContact OE1-NZ 2.96Å; E162-K290 PolarHBondContact OE1-NZ 3.14Å; E162-K290 IonicContact OE2-NZ 2.72Å; E162-K290 PolarHBondContact OE2-NZ 2.96Å
163A93.1Very high90.6Very high29 Ų2954.9 Ų54.924%0.2429%0.289CS..EExtended strand (participates in β ladder)trans-137.7148.3175.900000111.9L96 T146 L147 W161L96-A163 HydrophobicContact CD1-CB 4.17Å; T146-A163 CarbonylContact O-C 3.44Å; T146-A163 VanDerWaalsContact O-CA 3.3Å; T146-A163 WeakPolarHBondContact O-CA 3.19Å; L147-A163 HydrophobicContact CD1-CB 4.07Å; W161-A163 HydrophobicContact CE3-CB 4.08Å; W161-A163 HydrophobicContact CZ3-CB 3.63Å
164L92.9Very high90.5Very high13 Ų1353.5 Ų53.57%0.06828%0.282CS..EExtended strand (participates in β ladder)trans-128.8141.4171.6-70.5172.1000110.2E145 T146 L166 K278 S279 L283E145-L164 CarbonylContact C-O 3.51Å; E145-L164 VanDerWaalsContact CA-O 3.29Å; E145-L164 WeakPolarHBondContact CA-O 3.5Å; E145-L164 WeakPolarHBondContact CB-O 3.33Å; T146-L164 PolarHBondContact N-O 3.16Å; T146-L164 PolarHBondContact O-N 3.41Å; L164-L166 HydrophobicContact CB-CB 4.27Å; L164-L166 HydrophobicContact CB-CD1 4.37Å; L164-L166 HydrophobicContact CB-CG 4.23Å; L164-L166 HydrophobicContact CD1-CD1 4.12Å; L164-L166 PolarHBondContact O-N 3.31Å; L164-K278 HydrophobicContact CD1-CB 4.46Å; L164-K278 HydrophobicContact CD2-CB 4.15Å; L164-K278 HydrophobicContact CD2-CD 4.04Å; L164-S279 WeakPolarHBondContact CD1-O 3.38Å; L164-L283 HydrophobicContact CB-CD2 4.4Å; L164-L283 HydrophobicContact CD1-CB 4.21Å; L164-L283 HydrophobicContact CD1-CD1 3.82Å; L164-L283 HydrophobicContact CD1-CD2 4.12Å; L164-L283 HydrophobicContact CD1-CG 4.3Å; L164-L283 HydrophobicContact CD2-CD1 4.47Å; L164-L283 HydrophobicContact CG-CD1 3.66Å; L164-L283 HydrophobicContact CG-CD2 4.08Å; L164-L283 HydrophobicContact CG-CG 4.42Å
165P91Very high90.7Very high104 Ų10451.3 Ų51.368%0.67527%0.267SS*.SBendtrans-7431.7172.935-37000112.4
166L88.9Confident90.7Very high19 Ų1948.1 Ų48.110%0.09925%0.252CS..  trans-100.8107.3175.3-64.6177.3000107.8T146 L164 M269 L270 V280T146-L166 WeakPolarHBondContact CB-O 3.46Å; T146-L166 PolarHBondContact N-O 2.85Å; T146-L166 PolarHBondContact OG1-O 3.49Å; L164-L166 HydrophobicContact CB-CB 4.27Å; L164-L166 HydrophobicContact CB-CD1 4.37Å; L164-L166 HydrophobicContact CB-CG 4.23Å; L164-L166 HydrophobicContact CD1-CD1 4.12Å; L164-L166 PolarHBondContact O-N 3.31Å; L166-M269 HydrophobicContact CD2-SD 3.55Å; L166-M269 VanDerWaalsContact CD2-SD 3.55Å; L166-L270 HydrophobicContact CB-CD2 4.42Å; L166-V280 HydrophobicContact CB-CG2 4.41Å; L166-V280 HydrophobicContact CD1-CG2 4.41Å
167G88.6Confident90.5Very high0 Ų048.1 Ų48.10%026%0.258CS..SBendtrans-158.7-164-179.500000111.3G142 Y143 K169 A170 I171G142-G167 WeakPolarHBondContact O-CA 3.49Å; Y143-G167 CarbonylContact O-C 3.56Å; G167-K169 PolarHBondContact O-N 2.76Å; G167-A170 PolarHBondContact O-N 3.49Å; G167-A170 VanDerWaalsContact O-N 3.14Å; G167-I171 WeakPolarHBondContact O-CG1 3.33Å; G167-I171 PolarHBondContact O-N 3.41Å
168G90.5Very high90.3Very high2 Ų247.3 Ų47.32%0.02125%0.254CS..Hα-helixtrans-53.8-36.617800000114.3G142 Y143 I171 H172G142-G168 PolarHBondContact O-N 2.64Å; G142-G168 VanDerWaalsContact O-N 3.16Å; Y143-G168 PolarHBondContact O-N 3.29Å; G168-I171 WeakPolarHBondContact O-CB 3.5Å; G168-I171 PolarHBondContact O-N 3.17Å; G168-H172 PolarHBondContact O-CD2 2.8Å; G168-H172 VanDerWaalsContact O-CG 3.27Å; G168-H172 PolarHBondContact O-N 3.13Å
169K91.2Very high90Very high126 Ų12644.2 Ų44.255%0.54824%0.237SC..Hα-helixtrans-66.8-40.4178.8-172.3178.2-180-179.80112.7Y143 G167 I171 H172 K173Y143-K169 HydrophobicContact CD1-CB 4.27Å; Y143-K169 HydrophobicContact CE1-CB 3.81Å; Y143-K169 HydrophobicContact CE1-CD 4.34Å; Y143-K169 HydrophobicContact CE1-CG 4.24Å; Y143-K169 HydrophobicContact CE2-CB 4.35Å; Y143-K169 WeakPolarHBondContact O-CB 3.31Å; Y143-K169 PolarHBondContact O-N 3.16Å; G167-K169 PolarHBondContact O-N 2.76Å; K169-I171 VanDerWaalsContact C-N 3.34Å; K169-H172 PolarHBondContact O-N 2.89Å; K169-K173 PolarHBondContact O-N 2.98Å
170A91.8Very high89.7Confident24 Ų2441.6 Ų41.620%0.19822%0.219CC..Hα-helixtrans-65.3-42.5176.700000110.4G167 H172 K173 E174 M269G167-A170 PolarHBondContact O-N 3.49Å; G167-A170 VanDerWaalsContact O-N 3.14Å; A170-H172 PolarHBondContact O-N 3.47Å; A170-K173 PolarHBondContact O-N 3.21Å; A170-E174 PolarHBondContact O-N 2.94Å; A170-M269 VanDerWaalsContact C-CE 3.48Å; A170-M269 HydrophobicContact CB-CE 3.75Å; A170-M269 HydrophobicContact CB-SD 4.33Å; A170-M269 WeakPolarHBondContact O-CE 3.38Å
171I91.7Very high89.2Confident0 Ų048.5 Ų48.50%025%0.252CS..Hα-helixtrans-59.9-45.8174.2-66168.7000111.1G167 G168 K169 K173 E174 L175 K211 V266 M267 M269 L270 T309G167-I171 WeakPolarHBondContact O-CG1 3.33Å; G167-I171 PolarHBondContact O-N 3.41Å; G168-I171 WeakPolarHBondContact O-CB 3.5Å; G168-I171 PolarHBondContact O-N 3.17Å; K169-I171 VanDerWaalsContact C-N 3.34Å; I171-K173 VanDerWaalsContact C-N 3.33Å; I171-K173 PolarHBondContact O-N 3.45Å; I171-E174 PolarHBondContact O-N 3.45Å; I171-L175 VanDerWaalsContact O-CB 3.23Å; I171-L175 WeakPolarHBondContact O-CB 3.45Å; I171-L175 PolarHBondContact O-N 2.8Å; I171-K211 HydrophobicContact CG2-CD 3.89Å; I171-K211 HydrophobicContact CG2-CG 4.1Å; I171-V266 HydrophobicContact CG2-CG1 3.83Å; I171-M267 HydrophobicContact CD1-CE 4.4Å; I171-M267 HydrophobicContact CG2-CE 3.6Å; I171-M269 HydrophobicContact CG1-CE 4.36Å; I171-L270 HydrophobicContact CD1-CD1 3.99Å; I171-L270 HydrophobicContact CD1-CD2 4.19Å; I171-L270 HydrophobicContact CD1-CG 4.39Å; I171-L270 HydrophobicContact CG1-CD2 4.28Å; I171-T309 HydrophobicContact CD1-CG2 3.69Å
172H91.5Very high88.3Confident11 Ų1146.9 Ų46.95%0.05125%0.249CC..Hα-helixtrans-61.1-43.4178.8-72.2-168.9000111.5Y143 G168 K169 A170 L175 D176 E204 V207 K211Y143-H172 AromaticContact CE2-CE1 3.78Å; Y143-H172 AromaticContact CE2-ND1 3.75Å; G168-H172 PolarHBondContact O-CD2 2.8Å; G168-H172 VanDerWaalsContact O-CG 3.27Å; G168-H172 PolarHBondContact O-N 3.13Å; K169-H172 PolarHBondContact O-N 2.89Å; A170-H172 PolarHBondContact O-N 3.47Å; H172-L175 PolarHBondContact O-N 2.7Å; H172-D176 WeakPolarHBondContact O-CB 3.5Å; H172-D176 PolarHBondContact O-N 2.7Å; H172-E204 IonicContact CE1-OE1 2.8Å; H172-E204 IonicContact ND1-OE1 2.94Å; H172-E204 PolarHBondContact ND1-OE1 2.88Å; H172-V207 HydrophobicContact CB-CG1 4.15Å; H172-K211 PolarHBondContact NE2-NZ 3.11Å
173K90.4Very high87.3Confident170 Ų17045.1 Ų45.174%0.73924%0.241SC*.Hα-helixtrans-64-43.5178.9-172.9-175176.9-168.70112.2K169 A170 I171 G177K169-K173 PolarHBondContact O-N 2.98Å; A170-K173 PolarHBondContact O-N 3.21Å; I171-K173 VanDerWaalsContact C-N 3.33Å; I171-K173 PolarHBondContact O-N 3.45Å; K173-G177 PolarHBondContact O-N 3.35Å; K173-G177 VanDerWaalsContact O-N 3.07Å
174E89Confident86.4Confident70 Ų7046 Ų4633%0.32724%0.243SC..Hα-helixtrans-67.6-42.6178.4-17463.5-168.100111.4A170 I171 G177 L178 V266 M269A170-E174 PolarHBondContact O-N 2.94Å; I171-E174 PolarHBondContact O-N 3.45Å; E174-G177 PolarHBondContact O-N 2.88Å; E174-L178 HydrophobicContact CG-CD1 4.08Å; E174-L178 WeakPolarHBondContact O-CG 3.48Å; E174-L178 PolarHBondContact O-N 2.79Å; E174-V266 HydrophobicContact CB-CG1 4.49Å; E174-V266 HydrophobicContact CG-CG1 4.48Å; E174-V266 HydrophobicContact CG-CG2 4.35Å; E174-M269 HydrophobicContact CB-CE 4.12Å
175L88.9Confident85.7Confident1 Ų145.4 Ų45.41%0.00524%0.24CC..Hα-helixtrans-63-44.3177-176.259.7000111I171 H172 G177 L178 L179 V207 I210 K211 I262 V266I171-L175 VanDerWaalsContact O-CB 3.23Å; I171-L175 WeakPolarHBondContact O-CB 3.45Å; I171-L175 PolarHBondContact O-N 2.8Å; H172-L175 PolarHBondContact O-N 2.7Å; L175-G177 PolarHBondContact O-N 2.57Å; L175-L178 PolarHBondContact O-N 2.83Å; L175-L179 HydrophobicContact CD1-CD1 4.1Å; L175-L179 HydrophobicContact CD1-CD2 4.49Å; L175-L179 HydrophobicContact CD1-CG 4.02Å; L175-L179 HydrophobicContact CG-CD1 3.87Å; L175-L179 HydrophobicContact CG-CG 4.25Å; L175-L179 VanDerWaalsContact O-CB 3.24Å; L175-L179 WeakPolarHBondContact O-CB 3.44Å; L175-L179 WeakPolarHBondContact O-CG 3.14Å; L175-L179 PolarHBondContact O-N 2.86Å; L175-V207 HydrophobicContact CB-CG1 4.32Å; L175-V207 HydrophobicContact CD2-CG1 3.77Å; L175-V207 HydrophobicContact CG-CG1 4.21Å; L175-I210 HydrophobicContact CD2-CB 4.49Å; L175-I210 HydrophobicContact CD2-CG2 4.04Å; L175-K211 HydrophobicContact CD2-CB 4.24Å; L175-I262 HydrophobicContact CD1-CG2 4.02Å; L175-V266 HydrophobicContact CB-CG1 4.28Å; L175-V266 HydrophobicContact CB-CG2 4.27Å; L175-V266 HydrophobicContact CD1-CG2 3.96Å
176D87.8Confident84.8Confident51 Ų5142.4 Ų42.427%0.27322%0.218SC..Hα-helixtrans-59.9-45.8175.8-168.830.6000111.4H172 L179 V180H172-D176 WeakPolarHBondContact O-CB 3.5Å; H172-D176 PolarHBondContact O-N 2.7Å; D176-L179 PolarHBondContact O-N 2.59Å; D176-V180 WeakPolarHBondContact O-CB 3.5Å; D176-V180 VanDerWaalsContact O-CG2 3.25Å; D176-V180 WeakPolarHBondContact O-CG2 3.46Å; D176-V180 PolarHBondContact O-N 3.5Å
177G87.1Confident83.9Confident33 Ų3342.8 Ų42.834%0.3422%0.222SC..Hα-helixtrans-58.6-50.7175.600000113.2K173 E174 L175 L179 V180 E181K173-G177 PolarHBondContact O-N 3.35Å; K173-G177 VanDerWaalsContact O-N 3.07Å; E174-G177 PolarHBondContact O-N 2.88Å; L175-G177 PolarHBondContact O-N 2.57Å; G177-L179 PolarHBondContact O-N 2.87Å; G177-V180 PolarHBondContact O-N 2.89Å; G177-E181 WeakPolarHBondContact O-CG 3.42Å; G177-E181 PolarHBondContact O-N 2.85Å; G177-E181 VanDerWaalsContact O-N 3.13Å
178L85.8Confident82.6Confident17 Ų1750 Ų509%0.08926%0.261CS..Hα-helixtrans-69.8-33.4-178.3-71.1173.5000113.2E174 L175 Q182 I262 V266E174-L178 HydrophobicContact CG-CD1 4.08Å; E174-L178 WeakPolarHBondContact O-CG 3.48Å; E174-L178 PolarHBondContact O-N 2.79Å; L175-L178 PolarHBondContact O-N 2.83Å; L178-Q182 WeakPolarHBondContact O-CB 3.38Å; L178-Q182 PolarHBondContact O-N 3.37Å; L178-I262 HydrophobicContact CB-CG2 3.87Å; L178-I262 HydrophobicContact CD1-CG2 4.36Å; L178-V266 HydrophobicContact CD1-CG2 3.52Å
179L84Confident81.2Confident0 Ų055.5 Ų55.50%030%0.299CS..Hα-helixtrans-61.2-54.7172.6-74.7174.6000109.1L175 D176 G177 E181 Q182 C183 L195 I202 I210 L256 I258L175-L179 HydrophobicContact CD1-CD1 4.1Å; L175-L179 HydrophobicContact CD1-CD2 4.49Å; L175-L179 HydrophobicContact CD1-CG 4.02Å; L175-L179 HydrophobicContact CG-CD1 3.87Å; L175-L179 HydrophobicContact CG-CG 4.25Å; L175-L179 VanDerWaalsContact O-CB 3.24Å; L175-L179 WeakPolarHBondContact O-CB 3.44Å; L175-L179 WeakPolarHBondContact O-CG 3.14Å; L175-L179 PolarHBondContact O-N 2.86Å; D176-L179 PolarHBondContact O-N 2.59Å; G177-L179 PolarHBondContact O-N 2.87Å; L179-E181 PolarHBondContact O-N 3.46Å; L179-E181 VanDerWaalsContact O-N 3.17Å; L179-Q182 PolarHBondContact O-N 2.91Å; L179-C183 HydrophobicContact CD2-CB 4.19Å; L179-C183 WeakPolarHBondContact O-CB 3.38Å; L179-C183 PolarHBondContact O-N 3.46Å; L179-L195 HydrophobicContact CB-CD1 3.87Å; L179-L195 WeakPolarHBondContact O-CD1 3.34Å; L179-I202 HydrophobicContact CB-CD1 4.38Å; L179-I202 HydrophobicContact CD1-CD1 3.98Å; L179-I210 HydrophobicContact CD1-CD1 4.31Å; L179-L256 HydrophobicContact CD2-CD2 4.15Å; L179-I258 HydrophobicContact CD2-CG1 4.41Å
180V82.3Confident79.6Confident56 Ų5651.2 Ų51.234%0.33929%0.285SS..Hα-helixtrans-54.1-38.6-179.51700000112.4D176 G177 P196D176-V180 WeakPolarHBondContact O-CB 3.5Å; D176-V180 VanDerWaalsContact O-CG2 3.25Å; D176-V180 WeakPolarHBondContact O-CG2 3.46Å; D176-V180 PolarHBondContact O-N 3.5Å; G177-V180 PolarHBondContact O-N 2.89Å; V180-P196 HydrophobicContact CG1-CB 4.21Å; V180-P196 HydrophobicContact CG1-CG 4.17Å; V180-P196 WeakPolarHBondContact O-CD 3.38Å
181E80.4Confident77.9Confident145 Ų14555.6 Ų55.668%0.67831%0.309SS*.Hα-helixtrans-75.9-42.4-178.9-72.8179.2-178.100114.3G177 L179G177-E181 WeakPolarHBondContact O-CG 3.42Å; G177-E181 PolarHBondContact O-N 2.85Å; G177-E181 VanDerWaalsContact O-N 3.13Å; L179-E181 PolarHBondContact O-N 3.46Å; L179-E181 VanDerWaalsContact O-N 3.17Å
182Q75.3Confident76.3Confident74 Ų7457.7 Ų57.735%0.34633%0.331SS..Hα-helixtrans-118.7-11.7-160.2-60.9-177.324.300114.8L178 L179 K259 I262L178-Q182 WeakPolarHBondContact O-CB 3.38Å; L178-Q182 PolarHBondContact O-N 3.37Å; L179-Q182 PolarHBondContact O-N 2.91Å; Q182-K259 WeakPolarHBondContact O-CE 3.26Å; Q182-K259 PolarHBondContact O-NZ 3.32Å; Q182-I262 HydrophobicContact CB-CD1 3.88Å; Q182-I262 HydrophobicContact CB-CG1 4.38Å
183C71Confident74.9Confident3 Ų360.8 Ų60.82%0.0235%0.346CS..  trans-91.7142.9-172.6-165.80000112.7L179 L195 L256 H257L179-C183 HydrophobicContact CD2-CB 4.19Å; L179-C183 WeakPolarHBondContact O-CB 3.38Å; L179-C183 PolarHBondContact O-N 3.46Å; C183-L195 HydrophobicContact CB-CD1 3.46Å; C183-L195 VanDerWaalsContact CB-CD1 3.46Å; C183-L195 HydrophobicContact CB-CG 4.08Å; C183-L256 WeakPolarHBondContact SG-CD2 3.45Å; C183-L256 WeakPolarHBondContact SG-CG 3.4Å; C183-H257 PolarHBondContact SG-O 2.93Å
184T74.7Confident73.4Confident46 Ų4656 Ų5628%0.28233%0.333SS..EExtended strand (participates in β ladder)trans-107.8140.7174.349.40000110.2H257T184-H257 PolarHBondContact O-N 3.02Å
185V77.4Confident71.9Confident2 Ų252.8 Ų52.81%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-108.2130.5173.8-175.90000108.8G192 Q193 L195 K254V185-G192 PolarHBondContact O-N 2.96Å; V185-Q193 PolarHBondContact N-O 3.22Å; V185-Q193 PolarHBondContact O-N 3.41Å; V185-L195 HydrophobicContact CG2-CD2 3.18Å; V185-L195 HydrophobicContact CG2-CG 3.77Å; V185-K254 HydrophobicContact CG1-CB 4.24Å
186D71.8Confident70.4Confident40 Ų4056.3 Ų56.321%0.21434%0.341CS..EExtended strand (participates in β ladder)trans-102.3127.2168.3-73.93000108.3T191 G192 K254 I255 H257D186-T191 VanDerWaalsContact OD1-CA 3.3Å; D186-T191 WeakPolarHBondContact OD1-CA 3.27Å; D186-G192 PolarHBondContact OD1-N 3.48Å; D186-K254 WeakPolarHBondContact O-CA 3.31Å; D186-I255 PolarHBondContact N-O 2.91Å; D186-I255 PolarHBondContact O-N 3.02Å; D186-H257 VanDerWaalsContact CG-NE2 3.33Å; D186-H257 IonicContact OD1-CD2 3.43Å; D186-H257 IonicContact OD2-CD2 3.83Å; D186-H257 IonicContact OD2-NE2 2.7Å; D186-H257 PolarHBondContact OD2-NE2 3.48Å
187S70.7Confident68.8Low27 Ų2759.5 Ų59.519%0.18936%0.363CS..EExtended strand (participates in β ladder)trans-117.5157.4168.1-61.80000108.4S189 S190S187-S189 PolarHBondContact O-N 3.42Å; S187-S190 PolarHBondContact N-O 2.98Å; S187-S190 VanDerWaalsContact N-O 3.14Å; S187-S190 CarbonylContact O-C 3.53Å; S187-S190 PolarHBondContact O-N 3.4Å
188D61.9Low67.3Low152 Ų15260 Ų6081%0.81336%0.359SS*.THydrogen-bonded Turntrans-50.1-19.7-176.4-73.2-21.2000115.8
189S59.9Low66.2Low118 Ų11860.7 Ų60.783%0.82536%0.363SS*.THydrogen-bonded Turntrans-110.9-9.6-179.154.70000115.4S187S187-S189 PolarHBondContact O-N 3.42Å
190S58.2Low65.2Low35 Ų3564.7 Ų64.725%0.24540%0.404CS..EExtended strand (participates in β ladder)trans-159.5123.6177.860.10000112.5S187 Q193S187-S190 PolarHBondContact N-O 2.98Å; S187-S190 VanDerWaalsContact N-O 3.14Å; S187-S190 CarbonylContact O-C 3.53Å; S187-S190 PolarHBondContact O-N 3.4Å; S190-Q193 VanDerWaalsContact OG-CD 3.23Å; S190-Q193 PolarHBondContact OG-NE2 2.85Å; S190-Q193 VanDerWaalsContact OG-NE2 3.12Å
191T56Low64.5Low116 Ų11666.1 Ų66.171%0.71242%0.416SS*.EExtended strand (participates in β ladder)trans-83.6134.4169.942.40000111.1D186D186-T191 VanDerWaalsContact OD1-CA 3.3Å; D186-T191 WeakPolarHBondContact OD1-CA 3.27Å
192G58.8Low64.3Low44 Ų4459.7 Ų59.745%0.45439%0.387SS..EExtended strand (participates in β ladder)trans88.534.7167.100000116.7V185 D186V185-G192 PolarHBondContact O-N 2.96Å; D186-G192 PolarHBondContact OD1-N 3.48Å
193Q61.5Low64.7Low77 Ų7759.7 Ų59.736%0.3639%0.393SS..EExtended strand (participates in β ladder)trans-83.9138.6172.1-67.1-172.5-23.100111.3V185 S190 V198V185-Q193 PolarHBondContact N-O 3.22Å; V185-Q193 PolarHBondContact O-N 3.41Å; S190-Q193 VanDerWaalsContact OG-CD 3.23Å; S190-Q193 PolarHBondContact OG-NE2 2.85Å; S190-Q193 VanDerWaalsContact OG-NE2 3.12Å; Q193-V198 HydrophobicContact CB-CG2 3.78Å; Q193-V198 VanDerWaalsContact OE1-CG2 3.22Å
194S59.2Low65.3Low68 Ų6862.9 Ų62.948%0.47641%0.408SS..EExtended strand (participates in β ladder)trans-69.3136.4174.5-57.20000111P196 T197S194-P196 VanDerWaalsContact C-CD 3.45Å; S194-T197 PolarHBondContact O-N 2.76Å; S194-T197 VanDerWaalsContact O-N 3.11Å
195L57.3Low65.8Low3 Ų367.5 Ų67.52%0.01643%0.426CS..Hα-helixtrans-44.8-48.1179.3-84.5176.4000115.9L179 C183 V185 T197 V198 I199 I202 L256L179-L195 HydrophobicContact CB-CD1 3.87Å; L179-L195 WeakPolarHBondContact O-CD1 3.34Å; C183-L195 HydrophobicContact CB-CD1 3.46Å; C183-L195 VanDerWaalsContact CB-CD1 3.46Å; C183-L195 HydrophobicContact CB-CG 4.08Å; V185-L195 HydrophobicContact CG2-CD2 3.18Å; V185-L195 HydrophobicContact CG2-CG 3.77Å; L195-T197 PolarHBondContact O-N 3.12Å; L195-T197 VanDerWaalsContact O-N 3.08Å; L195-V198 PolarHBondContact O-N 3.1Å; L195-I199 HydrophobicContact CD2-CD1 4.44Å; L195-I199 PolarHBondContact O-N 3.25Å; L195-I202 HydrophobicContact CD1-CD1 4.15Å; L195-I202 HydrophobicContact CD2-CD1 4.49Å; L195-L256 HydrophobicContact CD1-CD1 4.31Å; L195-L256 HydrophobicContact CD2-CD1 3.94Å
196P57.6Low66.3Low75 Ų7568.4 Ų68.449%0.48743%0.432SS..Hα-helixtrans-64.4-17.4-175.220.4-31.5000114.3V180 S194V180-P196 HydrophobicContact CG1-CB 4.21Å; V180-P196 HydrophobicContact CG1-CG 4.17Å; V180-P196 WeakPolarHBondContact O-CD 3.38Å; S194-P196 VanDerWaalsContact C-CD 3.45Å
197T53.8Low67.2Low119 Ų11966.8 Ų66.873%0.7342%0.423SS*.Hα-helixtrans-84-21.5176.8-49.30000112.2S194 L195S194-T197 PolarHBondContact O-N 2.76Å; S194-T197 VanDerWaalsContact O-N 3.11Å; L195-T197 PolarHBondContact O-N 3.12Å; L195-T197 VanDerWaalsContact O-N 3.08Å
198V56.3Low68.1Low42 Ų4267.2 Ų67.226%0.25542%0.422SS..Hα-helixtrans-111.7-34.8-171.2-173.60000112.5Q193 L195Q193-V198 HydrophobicContact CB-CG2 3.78Å; Q193-V198 VanDerWaalsContact OE1-CG2 3.22Å; L195-V198 PolarHBondContact O-N 3.1Å
199I61.5Low69.4Low32 Ų3261.9 Ų61.916%0.16439%0.394CS..  trans-136.7116.1-176.5-55.5177.8000107.7L195 S201 I202 L250L195-I199 HydrophobicContact CD2-CD1 4.44Å; L195-I199 PolarHBondContact O-N 3.25Å; I199-S201 WeakPolarHBondContact CG2-O 3.45Å; I199-I202 HydrophobicContact CG2-CG1 4.38Å; I199-L250 HydrophobicContact CD1-CD2 3.64Å
200G63.1Low70.8Confident85 Ų8556.2 Ų56.288%0.87635%0.354SS*.SBendtrans-68.1-33.1-178.900000113.8
201S68.8Low72.4Confident85 Ų8555.6 Ų55.659%0.59435%0.347SS*.SBendtrans-157.8135.7174.2177.90000109.2I199I199-S201 WeakPolarHBondContact CG2-O 3.45Å
202I76.3Confident74Confident11 Ų1154.6 Ų54.66%0.05634%0.341CS..  trans-81.1134.3177.5-56.7173000108.1L179 L195 I199 V206 V207 L256L179-I202 HydrophobicContact CB-CD1 4.38Å; L179-I202 HydrophobicContact CD1-CD1 3.98Å; L195-I202 HydrophobicContact CD1-CD1 4.15Å; L195-I202 HydrophobicContact CD2-CD1 4.49Å; I199-I202 HydrophobicContact CG2-CG1 4.38Å; I202-V206 HydrophobicContact CG2-CB 3.93Å; I202-V206 HydrophobicContact CG2-CG1 3.82Å; I202-V207 HydrophobicContact CB-CG2 4.08Å; I202-V207 HydrophobicContact CG2-CG2 3.78Å; I202-L256 HydrophobicContact CD1-CD1 4.37Å
203P83.3Confident75.4Confident74 Ų7460.1 Ų60.148%0.48135%0.348SS..  trans-61.6142.6176.325.7-33.9000110.9E205 V206 V207P203-E205 PolarHBondContact O-N 2.82Å; P203-V206 HydrophobicContact CG-CB 4.06Å; P203-V206 HydrophobicContact CG-CG2 3.67Å; P203-V206 PolarHBondContact O-N 3.25Å; P203-V207 PolarHBondContact O-N 2.93Å
204E83.6Confident76.6Confident69 Ų6956.7 Ų56.732%0.32233%0.332SS..Hα-helixtrans-61.2-31.8-174.1-169.2177.9166.500113.2K53 Y143 H172 V206 V207 E208K53-E204 WeakPolarHBondContact CE-OE2 3.2Å; K53-E204 IonicContact NZ-OE1 2.63Å; K53-E204 PolarHBondContact NZ-OE1 2.83Å; K53-E204 IonicContact NZ-OE2 3.24Å; K53-E204 PolarHBondContact NZ-OE2 3.24Å; Y143-E204 VanDerWaalsContact CZ-OE1 3.26Å; Y143-E204 PolarHBondContact OH-OE1 2.83Å; H172-E204 IonicContact CE1-OE1 2.8Å; H172-E204 IonicContact ND1-OE1 2.94Å; H172-E204 PolarHBondContact ND1-OE1 2.88Å; E204-V206 VanDerWaalsContact C-N 3.29Å; E204-V206 PolarHBondContact O-N 3.16Å; E204-V207 PolarHBondContact O-N 3.4Å; E204-E208 PolarHBondContact O-N 2.94Å
205E85.4Confident77.9Confident143 Ų14353.6 Ų53.667%0.66831%0.311SS*.Hα-helixtrans-59.7-39.8175.9-61.8-176.7173.400112P203 E208 D209P203-E205 PolarHBondContact O-N 2.82Å; E205-E208 PolarHBondContact O-N 3.44Å; E205-D209 WeakPolarHBondContact O-CB 3.36Å; E205-D209 PolarHBondContact O-N 2.91Å
206V88.1Confident79.4Confident22 Ų2256 Ų5613%0.13332%0.321CS..Hα-helixtrans-72.1-39.9178.2171.90000110.7I202 P203 E204 E208 D209 I210 Y248 L250I202-V206 HydrophobicContact CG2-CB 3.93Å; I202-V206 HydrophobicContact CG2-CG1 3.82Å; P203-V206 HydrophobicContact CG-CB 4.06Å; P203-V206 HydrophobicContact CG-CG2 3.67Å; P203-V206 PolarHBondContact O-N 3.25Å; E204-V206 VanDerWaalsContact C-N 3.29Å; E204-V206 PolarHBondContact O-N 3.16Å; V206-E208 VanDerWaalsContact C-N 3.3Å; V206-E208 PolarHBondContact O-N 2.98Å; V206-D209 PolarHBondContact O-N 3.29Å; V206-I210 HydrophobicContact CG1-CD1 3.87Å; V206-I210 HydrophobicContact CG1-CG1 4.38Å; V206-I210 WeakPolarHBondContact O-CB 3.17Å; V206-I210 VanDerWaalsContact O-CG1 3.27Å; V206-I210 WeakPolarHBondContact O-CG1 3.37Å; V206-I210 PolarHBondContact O-N 3.18Å; V206-Y248 HydrophobicContact CG1-CE1 3.64Å; V206-L250 HydrophobicContact CG1-CD1 3.84Å
207V89.3Confident80.9Confident5 Ų553 Ų533%0.0330%0.301CS..Hα-helixtrans-61.8-41.2175.4179.80000110.7H172 L175 I202 P203 E204 K211H172-V207 HydrophobicContact CB-CG1 4.15Å; L175-V207 HydrophobicContact CB-CG1 4.32Å; L175-V207 HydrophobicContact CD2-CG1 3.77Å; L175-V207 HydrophobicContact CG-CG1 4.21Å; I202-V207 HydrophobicContact CB-CG2 4.08Å; I202-V207 HydrophobicContact CG2-CG2 3.78Å; P203-V207 PolarHBondContact O-N 2.93Å; E204-V207 PolarHBondContact O-N 3.4Å; V207-K211 WeakPolarHBondContact O-CB 3.41Å; V207-K211 PolarHBondContact O-N 3.22Å
208E89.6Confident82.6Confident36 Ų3647.6 Ų47.617%0.16827%0.268CS..Hα-helixtrans-63.1-43.9174.8173146.3-125.200112.1Y24 E204 E205 V206 K211 V212Y24-E208 WeakPolarHBondContact CE2-OE2 3.44Å; Y24-E208 VanDerWaalsContact CZ-OE2 3.32Å; Y24-E208 VanDerWaalsContact OH-CD 3.23Å; Y24-E208 PolarHBondContact OH-OE2 3.08Å; E204-E208 PolarHBondContact O-N 2.94Å; E205-E208 PolarHBondContact O-N 3.44Å; V206-E208 VanDerWaalsContact C-N 3.3Å; V206-E208 PolarHBondContact O-N 2.98Å; E208-K211 WeakPolarHBondContact O-CB 3.49Å; E208-K211 PolarHBondContact O-N 2.84Å; E208-K211 IonicContact OE1-NZ 3.79Å; E208-K211 PolarHBondContact OE1-NZ 3.31Å; E208-V212 HydrophobicContact CG-CG2 4.46Å; E208-V212 WeakPolarHBondContact O-CG2 3.36Å; E208-V212 PolarHBondContact O-N 3.15Å
209D90.3Very high84.2Confident40 Ų4050 Ų5021%0.21428%0.279CS..Hα-helixtrans-67.6-40-179.6-176.969.3000112.2E205 V206 K211 V212 R213 Y248E205-D209 WeakPolarHBondContact O-CB 3.36Å; E205-D209 PolarHBondContact O-N 2.91Å; V206-D209 PolarHBondContact O-N 3.29Å; D209-K211 VanDerWaalsContact C-N 3.33Å; D209-K211 PolarHBondContact O-N 3.3Å; D209-V212 PolarHBondContact O-N 3.34Å; D209-R213 WeakPolarHBondContact O-CB 3.18Å; D209-R213 WeakPolarHBondContact O-CG 3.46Å; D209-R213 PolarHBondContact O-N 3.14Å; D209-R213 IonicContact OD1-CZ 3.92Å; D209-R213 IonicContact OD1-NE 3.35Å; D209-R213 PolarHBondContact OD1-NE 2.72Å; D209-R213 IonicContact OD1-NH2 3.65Å; D209-R213 PolarHBondContact OD1-NH2 3.42Å; D209-R213 IonicContact OD2-CZ 2.75Å; D209-R213 IonicContact OD2-NE 3.33Å; D209-R213 PolarHBondContact OD2-NE 3.43Å; D209-R213 IonicContact OD2-NH1 3.43Å; D209-R213 PolarHBondContact OD2-NH1 2.95Å; D209-R213 IonicContact OD2-NH2 2.78Å; D209-R213 PolarHBondContact OD2-NH2 3.26Å; D209-Y248 WeakPolarHBondContact OD2-CE2 3.48Å; D209-Y248 PolarHBondContact OD2-OH 3.39Å
210I89.4Confident85.5Confident0 Ų050 Ų500%028%0.28CS..Hα-helixtrans-57.2-47.4169.3-70.2167.4000110.3L175 L179 V206 V212 R213 T214 Y248 I258L175-I210 HydrophobicContact CD2-CB 4.49Å; L175-I210 HydrophobicContact CD2-CG2 4.04Å; L179-I210 HydrophobicContact CD1-CD1 4.31Å; V206-I210 HydrophobicContact CG1-CD1 3.87Å; V206-I210 HydrophobicContact CG1-CG1 4.38Å; V206-I210 WeakPolarHBondContact O-CB 3.17Å; V206-I210 VanDerWaalsContact O-CG1 3.27Å; V206-I210 WeakPolarHBondContact O-CG1 3.37Å; V206-I210 PolarHBondContact O-N 3.18Å; I210-V212 VanDerWaalsContact C-N 3.34Å; I210-V212 PolarHBondContact O-N 3.17Å; I210-R213 PolarHBondContact O-N 3.34Å; I210-T214 HydrophobicContact CG2-CG2 4.32Å; I210-T214 WeakPolarHBondContact CG2-OG1 3.45Å; I210-T214 WeakPolarHBondContact O-CB 3.27Å; I210-T214 PolarHBondContact O-N 2.92Å; I210-T214 PolarHBondContact O-OG1 2.96Å; I210-Y248 HydrophobicContact CD1-CD1 4.03Å; I210-Y248 HydrophobicContact CD1-CE1 4.21Å; I210-Y248 HydrophobicContact CD1-CG 4.3Å; I210-Y248 HydrophobicContact CG1-CD1 3.94Å; I210-Y248 HydrophobicContact CG1-CD2 3.77Å; I210-Y248 HydrophobicContact CG1-CE1 4.01Å; I210-Y248 HydrophobicContact CG1-CE2 3.83Å; I210-Y248 HydrophobicContact CG1-CG 3.83Å; I210-I258 HydrophobicContact CD1-CD1 4.39Å; I210-I258 HydrophobicContact CG1-CD1 4.21Å; I210-I258 HydrophobicContact CG2-CD1 3.56Å
211K90.8Very high86.7Confident21 Ų2153.6 Ų53.69%0.09127%0.273CS..Hα-helixtrans-57.3-45.9177.7171.8-162.471.7-167.60111.4I171 H172 L175 V207 E208 D209 C215 M267I171-K211 HydrophobicContact CG2-CD 3.89Å; I171-K211 HydrophobicContact CG2-CG 4.1Å; H172-K211 PolarHBondContact NE2-NZ 3.11Å; L175-K211 HydrophobicContact CD2-CB 4.24Å; V207-K211 WeakPolarHBondContact O-CB 3.41Å; V207-K211 PolarHBondContact O-N 3.22Å; E208-K211 WeakPolarHBondContact O-CB 3.49Å; E208-K211 PolarHBondContact O-N 2.84Å; E208-K211 IonicContact OE1-NZ 3.79Å; E208-K211 PolarHBondContact OE1-NZ 3.31Å; D209-K211 VanDerWaalsContact C-N 3.33Å; D209-K211 PolarHBondContact O-N 3.3Å; K211-C215 VanDerWaalsContact O-CB 3.26Å; K211-C215 WeakPolarHBondContact O-CB 3.41Å; K211-C215 PolarHBondContact O-N 3.44Å; K211-M267 HydrophobicContact CG-CE 4.49Å
212V91.1Very high87.5Confident95 Ų9552.5 Ų52.558%0.57626%0.256SS*.Hα-helixtrans-70.3-40.3-177.5173.10000112.2E208 D209 I210E208-V212 HydrophobicContact CG-CG2 4.46Å; E208-V212 WeakPolarHBondContact O-CG2 3.36Å; E208-V212 PolarHBondContact O-N 3.15Å; D209-V212 PolarHBondContact O-N 3.34Å; I210-V212 VanDerWaalsContact C-N 3.34Å; I210-V212 PolarHBondContact O-N 3.17Å
213R88.2Confident88Confident160 Ų16052 Ų5260%0.60425%0.254SS*.Hα-helixtrans-83.4-35.8-175.2-64.2-177.4-162.6173.510113.6D209 I210D209-R213 WeakPolarHBondContact O-CB 3.18Å; D209-R213 WeakPolarHBondContact O-CG 3.46Å; D209-R213 PolarHBondContact O-N 3.14Å; D209-R213 IonicContact OD1-CZ 3.92Å; D209-R213 IonicContact OD1-NE 3.35Å; D209-R213 PolarHBondContact OD1-NE 2.72Å; D209-R213 IonicContact OD1-NH2 3.65Å; D209-R213 PolarHBondContact OD1-NH2 3.42Å; D209-R213 IonicContact OD2-CZ 2.75Å; D209-R213 IonicContact OD2-NE 3.33Å; D209-R213 PolarHBondContact OD2-NE 3.43Å; D209-R213 IonicContact OD2-NH1 3.43Å; D209-R213 PolarHBondContact OD2-NH1 2.95Å; D209-R213 IonicContact OD2-NH2 2.78Å; D209-R213 PolarHBondContact OD2-NH2 3.26Å; I210-R213 PolarHBondContact O-N 3.34Å
214T85.7Confident88.1Confident6 Ų651.5 Ų51.54%0.03725%0.246CC..Hα-helixtrans-107.3-37.6-167.674.40000112.8I210 V246 I258 R263I210-T214 HydrophobicContact CG2-CG2 4.32Å; I210-T214 WeakPolarHBondContact CG2-OG1 3.45Å; I210-T214 WeakPolarHBondContact O-CB 3.27Å; I210-T214 PolarHBondContact O-N 2.92Å; I210-T214 PolarHBondContact O-OG1 2.96Å; T214-V246 HydrophobicContact CG2-CG1 4.13Å; T214-I258 HydrophobicContact CG2-CD1 4Å; T214-R263 PolarHBondContact O-NE 3.36Å; T214-R263 PolarHBondContact O-NH2 3.25Å
215C87.4Confident88.2Confident3 Ų353.7 Ų53.72%0.0226%0.255CS..  trans-74.3142.8-174-61.90000111.9K211 M267K211-C215 VanDerWaalsContact O-CB 3.26Å; K211-C215 WeakPolarHBondContact O-CB 3.41Å; K211-C215 PolarHBondContact O-N 3.44Å; C215-M267 HydrophobicContact CB-CE 3.5Å; C215-M267 HydrophobicContact CB-CG 4.09Å; C215-M267 HydrophobicContact CB-SD 4.18Å
216F88.5Confident88.1Confident54 Ų5447.8 Ų47.824%0.23723%0.228CC..  trans-144.1156.6172.365.9-86.1000109.2P243 D264 M267 P313F216-P243 HydrophobicContact CE1-CB 3.98Å; F216-P243 HydrophobicContact CE1-CG 4.19Å; F216-P243 HydrophobicContact CZ-CB 3.72Å; F216-P243 HydrophobicContact CZ-CG 3.99Å; F216-D264 WeakPolarHBondContact CE1-OD1 3.44Å; F216-D264 WeakPolarHBondContact CE2-OD1 3.34Å; F216-D264 WeakPolarHBondContact CZ-OD1 3.47Å; F216-M267 WeakPolarHBondContact O-CG 3.34Å; F216-P313 HydrophobicContact CB-CG 3.91Å
217I89.4Confident87.8Confident11 Ų1148.3 Ų48.36%0.05623%0.229CC..PPolyproline II helixtrans-94.1126.3-177.9-67.8161.3000109.3M267 F271 L312 P313 F315 R318I217-M267 HydrophobicContact CG1-CB 4.13Å; I217-M267 HydrophobicContact CG1-CG 4.22Å; I217-M267 HydrophobicContact CG1-SD 4.3Å; I217-F271 HydrophobicContact CG2-CE2 3.89Å; I217-L312 HydrophobicContact CD1-CB 3.59Å; I217-L312 HydrophobicContact CD1-CD1 4.08Å; I217-L312 HydrophobicContact CG1-CB 4.32Å; I217-P313 PolarHBondContact N-O 2.83Å; I217-F315 VanDerWaalsContact CD1-CA 3.44Å; I217-F315 HydrophobicContact CD1-CB 3.43Å; I217-F315 VanDerWaalsContact CD1-CB 3.43Å; I217-F315 HydrophobicContact CD1-CD2 3.41Å; I217-F315 VanDerWaalsContact CD1-CD2 3.41Å; I217-F315 HydrophobicContact CD1-CG 3.88Å; I217-R318 HydrophobicContact CG2-CB 3.51Å; I217-R318 HydrophobicContact CG2-CG 3.66Å
218S88.6Confident87.5Confident5 Ų553.4 Ų53.44%0.03525%0.252CS..PPolyproline II helixtrans-73.6150.3176.8-76.80000112R222 R318S218-R222 WeakPolarHBondContact OG-CD 3.48Å; S218-R222 PolarHBondContact OG-NE 3.26Å; S218-R318 WeakPolarHBondContact O-CD 3.42Å; S218-R318 PolarHBondContact O-NH1 2.64Å
219D90.3Very high87Confident93 Ų9352.3 Ų52.350%0.49725%0.249SC..PPolyproline II helixtrans-62.9157.8172.6-69.7-41.8000112.5Q221 R222 G223 H317D219-Q221 PolarHBondContact O-N 3.21Å; D219-R222 WeakPolarHBondContact O-CB 3.28Å; D219-R222 PolarHBondContact O-N 3.45Å; D219-G223 PolarHBondContact O-N 2.85Å; D219-H317 IonicContact OD1-CE1 3.99Å; D219-H317 IonicContact OD1-ND1 3.34Å; D219-H317 PolarHBondContact OD1-ND1 3.03Å
220L88.8Confident86.3Confident33 Ų3354.2 Ų54.217%0.17326%0.256CS..Hα-helixtrans-50.8-50.2-178.6177.165.6000113R222 G223 L224 A321 E322 L325L220-R222 VanDerWaalsContact C-N 3.26Å; L220-R222 PolarHBondContact O-N 2.95Å; L220-G223 PolarHBondContact O-N 3.15Å; L220-L224 HydrophobicContact CD1-CD1 4.42Å; L220-L224 HydrophobicContact CD1-CG 4.43Å; L220-L224 HydrophobicContact CG-CD1 4.34Å; L220-L224 WeakPolarHBondContact O-CG 3.31Å; L220-L224 PolarHBondContact O-N 3.31Å; L220-A321 HydrophobicContact CB-CB 4.1Å; L220-A321 HydrophobicContact CD2-CB 4.09Å; L220-E322 VanDerWaalsContact CD1-CD 3.47Å; L220-E322 WeakPolarHBondContact CD1-OE1 3.39Å; L220-E322 WeakPolarHBondContact CD1-OE2 3.31Å; L220-L325 HydrophobicContact CD1-CD2 4.05Å; L220-L325 HydrophobicContact CD2-CB 4.38Å; L220-L325 HydrophobicContact CD2-CD2 4.28Å
221Q87.8Confident85.4Confident159 Ų15961.3 Ų61.374%0.74329%0.287SS*.Hα-helixtrans-62.8-34.7-178.7-67-179.7-1800112.6D219 K225D219-Q221 PolarHBondContact O-N 3.21Å; Q221-K225 WeakPolarHBondContact O-CG 3.49Å; Q221-K225 PolarHBondContact O-N 3.2Å
222R86.6Confident84.3Confident63 Ų6363.7 Ų63.724%0.23830%0.301CS..Hα-helixtrans-73.5-42.8177.1-178.7175.8-179.8136.37.9110.3S218 D219 L220 L224 K225 I226 P240 T241 D264S218-R222 WeakPolarHBondContact OG-CD 3.48Å; S218-R222 PolarHBondContact OG-NE 3.26Å; D219-R222 WeakPolarHBondContact O-CB 3.28Å; D219-R222 PolarHBondContact O-N 3.45Å; L220-R222 VanDerWaalsContact C-N 3.26Å; L220-R222 PolarHBondContact O-N 2.95Å; R222-L224 PolarHBondContact O-N 2.83Å; R222-K225 PolarHBondContact O-N 3.48Å; R222-I226 HydrophobicContact CG-CD1 3.98Å; R222-I226 VanDerWaalsContact O-CG1 3.31Å; R222-I226 WeakPolarHBondContact O-CG1 3.26Å; R222-I226 PolarHBondContact O-N 3.47Å; R222-P240 HydrophobicContact CG-CB 4.38Å; R222-P240 HydrophobicContact CG-CG 4.29Å; R222-T241 PolarHBondContact NH2-O 3.31Å; R222-T241 VanDerWaalsContact NH2-O 3.1Å; R222-D264 IonicContact CZ-OD2 3.02Å; R222-D264 IonicContact NE-OD2 2.71Å; R222-D264 PolarHBondContact NE-OD2 3.32Å; R222-D264 IonicContact NH2-OD2 2.91Å; R222-D264 PolarHBondContact NH2-OD2 3.31Å
223G85.3Confident82.7Confident0 Ų067.7 Ų67.70%032%0.318CS..Hα-helixtrans-56.5-47.8175.300000112.4D219 L220 K225 I226 Q227 E268D219-G223 PolarHBondContact O-N 2.85Å; L220-G223 PolarHBondContact O-N 3.15Å; G223-K225 VanDerWaalsContact C-N 3.35Å; G223-K225 PolarHBondContact O-N 2.89Å; G223-I226 WeakPolarHBondContact O-CB 3.39Å; G223-I226 PolarHBondContact O-N 2.89Å; G223-Q227 WeakPolarHBondContact O-CG 3.18Å; G223-Q227 PolarHBondContact O-N 2.87Å; G223-E268 VanDerWaalsContact CA-OE2 3.23Å; G223-E268 WeakPolarHBondContact CA-OE2 3.38Å
224L86Confident80.9Confident63 Ų6363.1 Ų63.133%0.3332%0.32SS..Hα-helixtrans-58.3-43.5176.8-68.4172.7000112.6L220 R222 I226 Q227 E228L220-L224 HydrophobicContact CD1-CD1 4.42Å; L220-L224 HydrophobicContact CD1-CG 4.43Å; L220-L224 HydrophobicContact CG-CD1 4.34Å; L220-L224 WeakPolarHBondContact O-CG 3.31Å; L220-L224 PolarHBondContact O-N 3.31Å; R222-L224 PolarHBondContact O-N 2.83Å; L224-I226 VanDerWaalsContact C-N 3.32Å; L224-I226 PolarHBondContact O-N 3.44Å; L224-Q227 PolarHBondContact O-N 3.24Å; L224-E228 WeakPolarHBondContact O-CG 3.45Å; L224-E228 PolarHBondContact O-N 3.02Å
225K85.8Confident79.4Confident115 Ų11566.3 Ų66.350%0.536%0.355SS..Hα-helixtrans-64.2-36.2175.2-69.8179.7179.6-170.80112.8Q221 R222 G223 A229 P240Q221-K225 WeakPolarHBondContact O-CG 3.49Å; Q221-K225 PolarHBondContact O-N 3.2Å; R222-K225 PolarHBondContact O-N 3.48Å; G223-K225 VanDerWaalsContact C-N 3.35Å; G223-K225 PolarHBondContact O-N 2.89Å; K225-A229 VanDerWaalsContact O-CB 3.27Å; K225-A229 WeakPolarHBondContact O-CB 3.37Å; K225-A229 PolarHBondContact O-N 3.45Å; K225-P240 HydrophobicContact CB-CG 4.35Å
226I83Confident77.9Confident19 Ų1971.9 Ų71.910%0.09739%0.388CS..Hα-helixtrans-65.8-45.7175.9-67.8163.7000109.8R222 G223 L224 A229 K230 P240 D264 E268R222-I226 HydrophobicContact CG-CD1 3.98Å; R222-I226 VanDerWaalsContact O-CG1 3.31Å; R222-I226 WeakPolarHBondContact O-CG1 3.26Å; R222-I226 PolarHBondContact O-N 3.47Å; G223-I226 WeakPolarHBondContact O-CB 3.39Å; G223-I226 PolarHBondContact O-N 2.89Å; L224-I226 VanDerWaalsContact C-N 3.32Å; L224-I226 PolarHBondContact O-N 3.44Å; I226-A229 PolarHBondContact O-N 3.1Å; I226-K230 PolarHBondContact O-N 3.5Å; I226-P240 HydrophobicContact CG1-CG 3.87Å; I226-D264 HydrophobicContact CD1-CB 4.07Å; I226-E268 HydrophobicContact CG2-CB 4.49Å; I226-E268 HydrophobicContact CG2-CG 4.23Å
227Q82.7Confident76.5Confident33 Ų3370.7 Ų70.715%0.15439%0.389CS..Hα-helixtrans-59.9-50.2176.3-67.5175.84.900110.8G223 L224 A229 K230 F231 E268G223-Q227 WeakPolarHBondContact O-CG 3.18Å; G223-Q227 PolarHBondContact O-N 2.87Å; L224-Q227 PolarHBondContact O-N 3.24Å; Q227-A229 VanDerWaalsContact C-N 3.26Å; Q227-A229 PolarHBondContact O-N 2.91Å; Q227-K230 WeakPolarHBondContact O-CB 3.39Å; Q227-K230 PolarHBondContact O-N 3.47Å; Q227-F231 WeakPolarHBondContact O-CD2 3.37Å; Q227-F231 PolarHBondContact O-N 2.82Å; Q227-E268 HydrophobicContact CG-CG 4.06Å; Q227-E268 PolarHBondContact NE2-OE1 3.03Å
228E81.9Confident75.2Confident113 Ų11378.8 Ų78.853%0.52843%0.427SS..Hα-helixtrans-55.3-42.2174.8-73.4173.7-177.900111.6L224 K230 F231 N232L224-E228 WeakPolarHBondContact O-CG 3.45Å; L224-E228 PolarHBondContact O-N 3.02Å; E228-K230 VanDerWaalsContact C-N 3.34Å; E228-K230 PolarHBondContact O-N 3.4Å; E228-F231 PolarHBondContact O-N 3.04Å; E228-N232 WeakPolarHBondContact O-CB 3.47Å; E228-N232 VanDerWaalsContact O-CG 3.29Å; E228-N232 PolarHBondContact O-N 3.2Å; E228-N232 VanDerWaalsContact O-N 3.09Å; E228-N232 PolarHBondContact O-ND2 3.25Å
229A79.7Confident74.2Confident13 Ų1388 Ų8811%0.10746%0.461CS..Hα-helixtrans-70.4-24.4178.600000114.3K225 I226 Q227 R239K225-A229 VanDerWaalsContact O-CB 3.27Å; K225-A229 WeakPolarHBondContact O-CB 3.37Å; K225-A229 PolarHBondContact O-N 3.45Å; I226-A229 PolarHBondContact O-N 3.1Å; Q227-A229 VanDerWaalsContact C-N 3.26Å; Q227-A229 PolarHBondContact O-N 2.91Å; A229-R239 HydrophobicContact CB-CG 3.69Å
230K76.5Confident73.3Confident79 Ų7985.2 Ų85.234%0.34345%0.447SS..Hα-helixtrans-72.2-42.1173.3-75.2-173.7-175.7-177.90111.5I226 Q227 E228 S265 E272I226-K230 PolarHBondContact O-N 3.5Å; Q227-K230 WeakPolarHBondContact O-CB 3.39Å; Q227-K230 PolarHBondContact O-N 3.47Å; E228-K230 VanDerWaalsContact C-N 3.34Å; E228-K230 PolarHBondContact O-N 3.4Å; K230-S265 WeakPolarHBondContact CE-OG 3.46Å; K230-E272 IonicContact NZ-OE2 2.92Å; K230-E272 PolarHBondContact NZ-OE2 2.88Å
231F70.4Confident72.6Confident150 Ų15089.2 Ų89.266%0.65847%0.473SS*.Hα-helixtrans-85.4-16.2-175.7-68.2-73.3000114.2Q227 E228 L233Q227-F231 WeakPolarHBondContact O-CD2 3.37Å; Q227-F231 PolarHBondContact O-N 2.82Å; E228-F231 PolarHBondContact O-N 3.04Å; F231-L233 PolarHBondContact O-N 3.26Å; F231-L233 VanDerWaalsContact O-N 3.15Å
232N67.7Low72Confident71 Ų7185.8 Ų85.838%0.3847%0.465SS..  trans-81.892.1178.7-81.3-52.1000112.5E228 G234 A237E228-N232 WeakPolarHBondContact O-CB 3.47Å; E228-N232 VanDerWaalsContact O-CG 3.29Å; E228-N232 PolarHBondContact O-N 3.2Å; E228-N232 VanDerWaalsContact O-N 3.09Å; E228-N232 PolarHBondContact O-ND2 3.25Å; N232-G234 PolarHBondContact O-N 2.96Å; N232-A237 HydrophobicContact CB-CB 4.24Å; N232-A237 VanDerWaalsContact ND2-CB 3.33Å; N232-A237 WeakPolarHBondContact ND2-CB 3.47Å
233L55.7Low71.7Confident179 Ų17983.3 Ų83.394%0.93746%0.457SS*.THydrogen-bonded Turntrans-64.9-15.3166.5-99.484.2000113.5F231F231-L233 PolarHBondContact O-N 3.26Å; F231-L233 VanDerWaalsContact O-N 3.15Å
234G50.4Low71.6Confident63 Ų6388 Ų8865%0.64949%0.487SS*.THydrogen-bonded Turntrans-942.3-170.800000116.8N232 T236N232-G234 PolarHBondContact O-N 2.96Å; G234-T236 VanDerWaalsContact C-N 3.27Å; G234-T236 PolarHBondContact O-N 3.34Å
235G55.5Low71.6Confident74 Ų7490 Ų9076%0.76350%0.498SS*.SBendtrans69.511172.700000116.9
236T55.9Low71.7Confident119 Ų11986.8 Ų86.873%0.7349%0.488SS*.  trans-90.2-13.4-176.444.20000114.9G234G234-T236 VanDerWaalsContact C-N 3.27Å; G234-T236 PolarHBondContact O-N 3.34Å
237A59.5Low71.8Confident30 Ų3090.4 Ų90.425%0.24851%0.508CS..SBendtrans-92.8121.7178.800000111.5N232 R239N232-A237 HydrophobicContact CB-CB 4.24Å; N232-A237 VanDerWaalsContact ND2-CB 3.33Å; N232-A237 WeakPolarHBondContact ND2-CB 3.47Å; A237-R239 PolarHBondContact O-N 2.94Å
238E61.8Low72Confident181 Ų18189.8 Ų89.885%0.84650%0.504SS*.  trans-65.6113.8173.2-70.4-176.2168.300109.8
239R66.1Low72.1Confident199 Ų19987.9 Ų87.975%0.75150%0.502SS*.PPolyproline II helixtrans-61.9134.7168.8-77.7-179.3-179.8179.50.7108.8A229 A237A229-R239 HydrophobicContact CB-CG 3.69Å; A237-R239 PolarHBondContact O-N 2.94Å
240P71.5Confident72Confident33 Ų3388.6 Ų88.621%0.21450%0.503CS..PPolyproline II helixtrans-59.5152.817425.4-31.4000110R222 K225 I226 P242R222-P240 HydrophobicContact CG-CB 4.38Å; R222-P240 HydrophobicContact CG-CG 4.29Å; K225-P240 HydrophobicContact CB-CG 4.35Å; I226-P240 HydrophobicContact CG1-CG 3.87Å; P240-P242 VanDerWaalsContact O-N 3.13Å
241T75.5Confident71.9Confident117 Ų11790.7 Ų90.772%0.71852%0.519SS*.PPolyproline II helixtrans-53.8121.2178.149.70000109.6R222R222-T241 PolarHBondContact NH2-O 3.31Å; R222-T241 VanDerWaalsContact NH2-O 3.1Å
242P74.7Confident71.7Confident88 Ų8887 Ų8757%0.57152%0.522SS*.PPolyproline II helixtrans-62.5147.2-176.726.9-34.4000109.7P240 P261P240-P242 VanDerWaalsContact O-N 3.13Å; P242-P261 HydrophobicContact CB-CG 3.91Å
243P79.7Confident72.1Confident11 Ų1190.1 Ų90.17%0.07154%0.535CS..PPolyproline II helixtrans-68.3165.2171.733.6-32000109.6F216 G260 D264F216-P243 HydrophobicContact CE1-CB 3.98Å; F216-P243 HydrophobicContact CE1-CG 4.19Å; F216-P243 HydrophobicContact CZ-CB 3.72Å; F216-P243 HydrophobicContact CZ-CG 3.99Å; P243-G260 VanDerWaalsContact CG-C 3.46Å; P243-G260 WeakPolarHBondContact CG-O 3.47Å; P243-G260 WeakPolarHBondContact O-CA 3.29Å; P243-D264 WeakPolarHBondContact CD-OD2 3.37Å
244P84.6Confident73.2Confident98 Ų9884.5 Ų84.564%0.63650%0.503SS*.PPolyproline II helixtrans-61.2141.3179.825.4-34.6000111.3R263P244-R263 PolarHBondContact O-NH1 3.07Å
245D86Confident74.8Confident105 Ų10585 Ų8556%0.56149%0.49SS*.PPolyproline II helixtrans-65.1147.6169.7-59.5-26.4000109.5I258 K259 G260D245-I258 WeakPolarHBondContact CA-O 3.49Å; D245-K259 VanDerWaalsContact OD1-CA 3.32Å; D245-K259 WeakPolarHBondContact OD1-CA 3.41Å; D245-G260 PolarHBondContact OD1-N 3.09Å
246V86.1Confident76.1Confident48 Ų4881.7 Ų81.729%0.29145%0.454SS..EExtended strand (participates in β ladder)trans-131.3131.8-177.5174.90000109.7T214 I258T214-V246 HydrophobicContact CG2-CG1 4.13Å; V246-I258 PolarHBondContact N-O 2.7Å; V246-I258 WeakPolarHBondContact O-CA 3.46Å; V246-I258 VanDerWaalsContact O-CB 3.32Å; V246-I258 WeakPolarHBondContact O-CB 3.44Å; V246-I258 PolarHBondContact O-N 3.21Å
247D86.6Confident77.5Confident95 Ų9578 Ų7851%0.50843%0.429SS..EExtended strand (participates in β ladder)trans-91.7124.6178.3-57.4-16.8000109.2I255 H257D247-I255 HydrophobicContact CB-CG2 3.8Å; D247-H257 VanDerWaalsContact CG-CE1 3.5Å; D247-H257 VanDerWaalsContact CG-ND1 3.25Å; D247-H257 IonicContact OD1-CE1 3.47Å; D247-H257 PolarHBondContact OD1-CE1 2.96Å; D247-H257 IonicContact OD1-CG 2.77Å; D247-H257 IonicContact OD1-ND1 2.8Å; D247-H257 PolarHBondContact OD1-ND1 2.88Å; D247-H257 IonicContact OD2-CE1 3.74Å; D247-H257 IonicContact OD2-ND1 2.79Å
248Y85.3Confident78.7Confident19 Ų1976.6 Ų76.68%0.07542%0.417CS..EExtended strand (participates in β ladder)trans-111.2118.3-179.4-178.5-91.4000110.4V206 D209 I210 L250 L256 I258V206-Y248 HydrophobicContact CG1-CE1 3.64Å; D209-Y248 WeakPolarHBondContact OD2-CE2 3.48Å; D209-Y248 PolarHBondContact OD2-OH 3.39Å; I210-Y248 HydrophobicContact CD1-CD1 4.03Å; I210-Y248 HydrophobicContact CD1-CE1 4.21Å; I210-Y248 HydrophobicContact CD1-CG 4.3Å; I210-Y248 HydrophobicContact CG1-CD1 3.94Å; I210-Y248 HydrophobicContact CG1-CD2 3.77Å; I210-Y248 HydrophobicContact CG1-CE1 4.01Å; I210-Y248 HydrophobicContact CG1-CE2 3.83Å; I210-Y248 HydrophobicContact CG1-CG 3.83Å; Y248-L250 HydrophobicContact CE1-CD1 4.43Å; Y248-L250 PolarHBondContact O-N 3.45Å; Y248-L256 PolarHBondContact N-O 2.83Å; Y248-L256 WeakPolarHBondContact O-CB 3.34Å; Y248-L256 PolarHBondContact O-N 3.38Å; Y248-I258 HydrophobicContact CG-CD1 4.47Å
249P85.7Confident79.8Confident73 Ų7371.9 Ų71.947%0.47439%0.394SS..EExtended strand (participates in β ladder)trans-77.3122175.930.3-31.8000110.3
250L77.8Confident80.6Confident28 Ų2862.4 Ų62.415%0.14736%0.358CS..SBendtrans-80.4-65.7-178.9-159.394.7000111.3I199 V206 Y248 K254 L256I199-L250 HydrophobicContact CD1-CD2 3.64Å; V206-L250 HydrophobicContact CG1-CD1 3.84Å; Y248-L250 HydrophobicContact CE1-CD1 4.43Å; Y248-L250 PolarHBondContact O-N 3.45Å; L250-K254 HydrophobicContact CB-CB 4.27Å; L250-K254 PolarHBondContact N-O 3.3Å; L250-L256 HydrophobicContact CD1-CD1 4.39Å
251D73.1Confident81.2Confident124 Ų12463.8 Ų63.866%0.66337%0.367SS*.SBendtrans-131.523.4-175.7-65.7-41.7000112E253D251-E253 PolarHBondContact O-N 3.37Å; D251-E253 VanDerWaalsContact O-N 3.12Å
252G67.4Low81.7Confident71 Ų7158.2 Ų58.273%0.73233%0.333SS*.SBendtrans80.5-26.6-177.200000115.1
253E74.2Confident82.1Confident137 Ų13755.3 Ų55.364%0.6431%0.311SS*.SBendtrans-97.9-18176.9-62.7-178.7172.900113.7D251D251-E253 PolarHBondContact O-N 3.37Å; D251-E253 VanDerWaalsContact O-N 3.12Å
254K80.1Confident82.3Confident61 Ų6155.1 Ų55.127%0.26531%0.309SS..EExtended strand (participates in β ladder)trans-122127.7-177.3-62178.4-172.5171.70110.1V185 D186 L250V185-K254 HydrophobicContact CG1-CB 4.24Å; D186-K254 WeakPolarHBondContact O-CA 3.31Å; L250-K254 HydrophobicContact CB-CB 4.27Å; L250-K254 PolarHBondContact N-O 3.3Å
255I84.1Confident82.3Confident74 Ų7451.7 Ų51.738%0.37929%0.287SS..EExtended strand (participates in β ladder)trans-109.7127.6175.4-58.9176.2000108.3D186 D247D186-I255 PolarHBondContact N-O 2.91Å; D186-I255 PolarHBondContact O-N 3.02Å; D247-I255 HydrophobicContact CB-CG2 3.8Å
256L83.2Confident82.4Confident4 Ų446.7 Ų46.72%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-103.3115.1-179.3-172.4155.5000108.3L179 C183 L195 I202 Y248 L250 I258L179-L256 HydrophobicContact CD2-CD2 4.15Å; C183-L256 WeakPolarHBondContact SG-CD2 3.45Å; C183-L256 WeakPolarHBondContact SG-CG 3.4Å; L195-L256 HydrophobicContact CD1-CD1 4.31Å; L195-L256 HydrophobicContact CD2-CD1 3.94Å; I202-L256 HydrophobicContact CD1-CD1 4.37Å; Y248-L256 PolarHBondContact N-O 2.83Å; Y248-L256 WeakPolarHBondContact O-CB 3.34Å; Y248-L256 PolarHBondContact O-N 3.38Å; L250-L256 HydrophobicContact CD1-CD1 4.39Å; L256-I258 HydrophobicContact CD2-CB 4.45Å; L256-I258 HydrophobicContact CD2-CD1 3.88Å; L256-I258 HydrophobicContact CD2-CG1 3.17Å; L256-I258 PolarHBondContact O-N 2.89Å
257H85Confident82.5Confident42 Ų4244.5 Ų44.519%0.19425%0.247CC..EExtended strand (participates in β ladder)trans-88.498-177.9-68.3-75.5000110.8C183 T184 D186 D247 K259C183-H257 PolarHBondContact SG-O 2.93Å; T184-H257 PolarHBondContact O-N 3.02Å; D186-H257 VanDerWaalsContact CG-NE2 3.33Å; D186-H257 IonicContact OD1-CD2 3.43Å; D186-H257 IonicContact OD2-CD2 3.83Å; D186-H257 IonicContact OD2-NE2 2.7Å; D186-H257 PolarHBondContact OD2-NE2 3.48Å; D247-H257 VanDerWaalsContact CG-CE1 3.5Å; D247-H257 VanDerWaalsContact CG-ND1 3.25Å; D247-H257 IonicContact OD1-CE1 3.47Å; D247-H257 PolarHBondContact OD1-CE1 2.96Å; D247-H257 IonicContact OD1-CG 2.77Å; D247-H257 IonicContact OD1-ND1 2.8Å; D247-H257 PolarHBondContact OD1-ND1 2.88Å; D247-H257 IonicContact OD2-CE1 3.74Å; D247-H257 IonicContact OD2-ND1 2.79Å; H257-K259 PolarHBondContact O-N 3.02Å
258I84.6Confident82.6Confident0 Ų040 Ų400%022%0.223CC..EExtended strand (participates in β ladder)trans-84.1114.4-179-54.3171.7000109.1L179 I210 T214 D245 V246 Y248 L256 R263L179-I258 HydrophobicContact CD2-CG1 4.41Å; I210-I258 HydrophobicContact CD1-CD1 4.39Å; I210-I258 HydrophobicContact CG1-CD1 4.21Å; I210-I258 HydrophobicContact CG2-CD1 3.56Å; T214-I258 HydrophobicContact CG2-CD1 4Å; D245-I258 WeakPolarHBondContact CA-O 3.49Å; V246-I258 PolarHBondContact N-O 2.7Å; V246-I258 WeakPolarHBondContact O-CA 3.46Å; V246-I258 VanDerWaalsContact O-CB 3.32Å; V246-I258 WeakPolarHBondContact O-CB 3.44Å; V246-I258 PolarHBondContact O-N 3.21Å; Y248-I258 HydrophobicContact CG-CD1 4.47Å; L256-I258 HydrophobicContact CD2-CB 4.45Å; L256-I258 HydrophobicContact CD2-CD1 3.88Å; L256-I258 HydrophobicContact CD2-CG1 3.17Å; L256-I258 PolarHBondContact O-N 2.89Å; I258-R263 HydrophobicContact CG2-CG 3.9Å
259K84.9Confident82.8Confident83 Ų8340.7 Ų40.736%0.36123%0.227SC..  trans-68.3138175.2-64.9179.1176.9153.70111.2Q182 D245 H257 P261 I262Q182-K259 WeakPolarHBondContact O-CE 3.26Å; Q182-K259 PolarHBondContact O-NZ 3.32Å; D245-K259 VanDerWaalsContact OD1-CA 3.32Å; D245-K259 WeakPolarHBondContact OD1-CA 3.41Å; H257-K259 PolarHBondContact O-N 3.02Å; K259-P261 VanDerWaalsContact C-CD 3.49Å; K259-I262 HydrophobicContact CB-CD1 4.04Å; K259-I262 HydrophobicContact CB-CG1 4.28Å; K259-I262 WeakPolarHBondContact O-CB 3.44Å; K259-I262 PolarHBondContact O-N 3.44Å; K259-I262 VanDerWaalsContact O-N 3.12Å
260G83.4Confident82.9Confident0 Ų037.3 Ų37.30%021%0.205CC..Hα-helixtrans-50.3-46.3177.600000115P243 D245 I262 R263 D264P243-G260 VanDerWaalsContact CG-C 3.46Å; P243-G260 WeakPolarHBondContact CG-O 3.47Å; P243-G260 WeakPolarHBondContact O-CA 3.29Å; D245-G260 PolarHBondContact OD1-N 3.09Å; G260-I262 PolarHBondContact O-N 3.34Å; G260-I262 VanDerWaalsContact O-N 3.17Å; G260-R263 WeakPolarHBondContact O-CB 3.37Å; G260-R263 PolarHBondContact O-N 2.88Å; G260-R263 VanDerWaalsContact O-N 3.14Å; G260-D264 PolarHBondContact O-N 2.87Å
261P84.1Confident83.5Confident61 Ų6136 Ų3640%0.39620%0.198SC..Hα-helixtrans-56.6-30.2178.7-28.235.4000115P242 K259 S265P242-P261 HydrophobicContact CB-CG 3.91Å; K259-P261 VanDerWaalsContact C-CD 3.49Å; P261-S265 WeakPolarHBondContact O-CB 3.48Å; P261-S265 PolarHBondContact O-N 3.41Å
262I84.8Confident84.1Confident1 Ų131.6 Ų31.61%0.00517%0.174CC..Hα-helixtrans-64.6-46.4179.3-60.2171.1000109.3L175 L178 Q182 K259 G260 D264 S265 V266L175-I262 HydrophobicContact CD1-CG2 4.02Å; L178-I262 HydrophobicContact CB-CG2 3.87Å; L178-I262 HydrophobicContact CD1-CG2 4.36Å; Q182-I262 HydrophobicContact CB-CD1 3.88Å; Q182-I262 HydrophobicContact CB-CG1 4.38Å; K259-I262 HydrophobicContact CB-CD1 4.04Å; K259-I262 HydrophobicContact CB-CG1 4.28Å; K259-I262 WeakPolarHBondContact O-CB 3.44Å; K259-I262 PolarHBondContact O-N 3.44Å; K259-I262 VanDerWaalsContact O-N 3.12Å; G260-I262 PolarHBondContact O-N 3.34Å; G260-I262 VanDerWaalsContact O-N 3.17Å; I262-D264 VanDerWaalsContact C-N 3.26Å; I262-D264 PolarHBondContact O-N 2.77Å; I262-S265 PolarHBondContact O-N 3.06Å; I262-V266 HydrophobicContact CG2-CG2 4.1Å; I262-V266 WeakPolarHBondContact O-CG2 3.49Å; I262-V266 PolarHBondContact O-N 3.46Å
263R83.9Confident84.7Confident27 Ų2731.1 Ų31.110%0.10215%0.152CC..Hα-helixtrans-61.3-36.2-176.7-62.5165.653.3-164.92.4112.2T214 P244 I258 G260T214-R263 PolarHBondContact O-NE 3.36Å; T214-R263 PolarHBondContact O-NH2 3.25Å; P244-R263 PolarHBondContact O-NH1 3.07Å; I258-R263 HydrophobicContact CG2-CG 3.9Å; G260-R263 WeakPolarHBondContact O-CB 3.37Å; G260-R263 PolarHBondContact O-N 2.88Å; G260-R263 VanDerWaalsContact O-N 3.14Å
264D82.7Confident84.8Confident6 Ų628.9 Ų28.93%0.03215%0.145CC..Hα-helixtrans-77.1-46.9176.3-76.16.1000111.9F216 R222 I226 P243 G260 I262 V266 M267 E268F216-D264 WeakPolarHBondContact CE1-OD1 3.44Å; F216-D264 WeakPolarHBondContact CE2-OD1 3.34Å; F216-D264 WeakPolarHBondContact CZ-OD1 3.47Å; R222-D264 IonicContact CZ-OD2 3.02Å; R222-D264 IonicContact NE-OD2 2.71Å; R222-D264 PolarHBondContact NE-OD2 3.32Å; R222-D264 IonicContact NH2-OD2 2.91Å; R222-D264 PolarHBondContact NH2-OD2 3.31Å; I226-D264 HydrophobicContact CD1-CB 4.07Å; P243-D264 WeakPolarHBondContact CD-OD2 3.37Å; G260-D264 PolarHBondContact O-N 2.87Å; I262-D264 VanDerWaalsContact C-N 3.26Å; I262-D264 PolarHBondContact O-N 2.77Å; D264-V266 PolarHBondContact O-N 2.9Å; D264-M267 PolarHBondContact O-N 2.94Å; D264-E268 PolarHBondContact O-N 3.47Å
265S84.7Confident84.7Confident26 Ų2634.5 Ų34.518%0.18218%0.178CC..Hα-helixtrans-65.2-38.4-173.5-1740000112.6K230 P261 I262 M267 E268K230-S265 WeakPolarHBondContact CE-OG 3.46Å; P261-S265 WeakPolarHBondContact O-CB 3.48Å; P261-S265 PolarHBondContact O-N 3.41Å; I262-S265 PolarHBondContact O-N 3.06Å; S265-M267 VanDerWaalsContact C-N 3.33Å; S265-M267 PolarHBondContact O-N 2.73Å; S265-E268 PolarHBondContact O-N 3.2Å
266V88.8Confident84.5Confident0 Ų037.4 Ų37.40%019%0.19CC..Hα-helixtrans-61.7-42.4178.8174.80000111I171 E174 L175 L178 I262 D264 E268I171-V266 HydrophobicContact CG2-CG1 3.83Å; E174-V266 HydrophobicContact CB-CG1 4.49Å; E174-V266 HydrophobicContact CG-CG1 4.48Å; E174-V266 HydrophobicContact CG-CG2 4.35Å; L175-V266 HydrophobicContact CB-CG1 4.28Å; L175-V266 HydrophobicContact CB-CG2 4.27Å; L175-V266 HydrophobicContact CD1-CG2 3.96Å; L178-V266 HydrophobicContact CD1-CG2 3.52Å; I262-V266 HydrophobicContact CG2-CG2 4.1Å; I262-V266 WeakPolarHBondContact O-CG2 3.49Å; I262-V266 PolarHBondContact O-N 3.46Å; D264-V266 PolarHBondContact O-N 2.9Å; V266-E268 VanDerWaalsContact C-N 3.32Å
267M88.9Confident84.4Confident2 Ų242.1 Ų42.11%0.0121%0.212CC..Hα-helixtrans-74.5-26-177.5-67-59.4126.100112.5I171 K211 C215 F216 I217 D264 S265 M269 L270 L312I171-M267 HydrophobicContact CD1-CE 4.4Å; I171-M267 HydrophobicContact CG2-CE 3.6Å; K211-M267 HydrophobicContact CG-CE 4.49Å; C215-M267 HydrophobicContact CB-CE 3.5Å; C215-M267 HydrophobicContact CB-CG 4.09Å; C215-M267 HydrophobicContact CB-SD 4.18Å; F216-M267 WeakPolarHBondContact O-CG 3.34Å; I217-M267 HydrophobicContact CG1-CB 4.13Å; I217-M267 HydrophobicContact CG1-CG 4.22Å; I217-M267 HydrophobicContact CG1-SD 4.3Å; D264-M267 PolarHBondContact O-N 2.94Å; S265-M267 VanDerWaalsContact C-N 3.33Å; S265-M267 PolarHBondContact O-N 2.73Å; M267-M269 PolarHBondContact O-N 3.29Å; M267-L270 PolarHBondContact O-N 3.21Å; M267-L312 HydrophobicContact CE-CD1 4.41Å; M267-L312 HydrophobicContact SD-CD1 3.56Å; M267-L312 VanDerWaalsContact SD-CD1 3.56Å
268E88.9Confident84.4Confident1 Ų143.9 Ų43.91%0.00522%0.219CC..Hα-helixtrans-65.6-28.1178.5-166.355.2-148.400112.4G223 I226 Q227 D264 S265 V266 L270 F271 E272 R318G223-E268 VanDerWaalsContact CA-OE2 3.23Å; G223-E268 WeakPolarHBondContact CA-OE2 3.38Å; I226-E268 HydrophobicContact CG2-CB 4.49Å; I226-E268 HydrophobicContact CG2-CG 4.23Å; Q227-E268 HydrophobicContact CG-CG 4.06Å; Q227-E268 PolarHBondContact NE2-OE1 3.03Å; D264-E268 PolarHBondContact O-N 3.47Å; S265-E268 PolarHBondContact O-N 3.2Å; V266-E268 VanDerWaalsContact C-N 3.32Å; E268-L270 PolarHBondContact O-N 3.39Å; E268-L270 VanDerWaalsContact O-N 3.09Å; E268-F271 PolarHBondContact O-N 2.73Å; E268-E272 WeakPolarHBondContact O-CB 3.2Å; E268-E272 PolarHBondContact O-N 3.16Å; E268-R318 IonicContact OE1-CZ 3.53Å; E268-R318 IonicContact OE1-NH1 2.73Å; E268-R318 IonicContact OE1-NH2 2.7Å; E268-R318 PolarHBondContact OE1-NH2 2.75Å; E268-R318 IonicContact OE2-CZ 3.85Å; E268-R318 IonicContact OE2-NH1 3.54Å; E268-R318 PolarHBondContact OE2-NH1 3.14Å; E268-R318 IonicContact OE2-NH2 3.54Å; E268-R318 PolarHBondContact OE2-NH2 3.12Å
269M88Confident84.7Confident34 Ų3443.9 Ų43.917%0.16722%0.219CC..THydrogen-bonded Turntrans-57.3-25.2176.6178.5-92.1-72.800113.5L166 A170 I171 E174 M267 F271L166-M269 HydrophobicContact CD2-SD 3.55Å; L166-M269 VanDerWaalsContact CD2-SD 3.55Å; A170-M269 VanDerWaalsContact C-CE 3.48Å; A170-M269 HydrophobicContact CB-CE 3.75Å; A170-M269 HydrophobicContact CB-SD 4.33Å; A170-M269 WeakPolarHBondContact O-CE 3.38Å; I171-M269 HydrophobicContact CG1-CE 4.36Å; E174-M269 HydrophobicContact CB-CE 4.12Å; M267-M269 PolarHBondContact O-N 3.29Å; M269-F271 VanDerWaalsContact C-N 3.33Å
270L89.1Confident85.1Confident1 Ų140 Ų401%0.00520%0.202CC..THydrogen-bonded Turntrans-71.5-26.9175.7-65.4174.7000113.6L166 I171 M267 E268 V280 T309 F315L166-L270 HydrophobicContact CB-CD2 4.42Å; I171-L270 HydrophobicContact CD1-CD1 3.99Å; I171-L270 HydrophobicContact CD1-CD2 4.19Å; I171-L270 HydrophobicContact CD1-CG 4.39Å; I171-L270 HydrophobicContact CG1-CD2 4.28Å; M267-L270 PolarHBondContact O-N 3.21Å; E268-L270 PolarHBondContact O-N 3.39Å; E268-L270 VanDerWaalsContact O-N 3.09Å; L270-V280 HydrophobicContact CB-CG2 4.37Å; L270-V280 HydrophobicContact CD2-CG2 4.44Å; L270-V280 WeakPolarHBondContact O-CG2 3.25Å; L270-V280 PolarHBondContact O-N 2.65Å; L270-T309 HydrophobicContact CD1-CG2 4.02Å; L270-F315 HydrophobicContact CD1-CE2 4.44Å
271F89.6Confident85.5Confident0 Ų040 Ų400%020%0.202CC..THydrogen-bonded Turntrans-113.6-13.5-173.2-63.3-78.1000113.1I217 E268 M269 Q273 F315 R318 L319 E322I217-F271 HydrophobicContact CG2-CE2 3.89Å; E268-F271 PolarHBondContact O-N 2.73Å; M269-F271 VanDerWaalsContact C-N 3.33Å; F271-Q273 PolarHBondContact O-N 2.72Å; F271-F315 HydrophobicContact CZ-CD2 4.22Å; F271-F315 HydrophobicContact CZ-CE2 4.06Å; F271-R318 HydrophobicContact CD1-CG 4.1Å; F271-R318 HydrophobicContact CD2-CG 3.89Å; F271-R318 HydrophobicContact CE1-CG 3.89Å; F271-R318 HydrophobicContact CE2-CB 4.44Å; F271-R318 HydrophobicContact CE2-CG 3.66Å; F271-R318 HydrophobicContact CG-CG 4.11Å; F271-R318 HydrophobicContact CZ-CB 4.2Å; F271-R318 HydrophobicContact CZ-CG 3.66Å; F271-L319 HydrophobicContact CE1-CB 4.19Å; F271-L319 HydrophobicContact CE1-CD1 4Å; F271-E322 HydrophobicContact CD1-CB 4.43Å; F271-E322 HydrophobicContact CD1-CG 4.23Å
272E86.3Confident85.9Confident33 Ų3337.1 Ų37.115%0.15418%0.184CC..SBendtrans-56.8131.5168.5-169.5160.4-16700109.5K230 E268K230-E272 IonicContact NZ-OE2 2.92Å; K230-E272 PolarHBondContact NZ-OE2 2.88Å; E268-E272 WeakPolarHBondContact O-CB 3.2Å; E268-E272 PolarHBondContact O-N 3.16Å
273Q80.2Confident86.3Confident60 Ų6037.3 Ų37.328%0.2818%0.184SC..PPolyproline II helixtrans-85118.3175.7-79167.350.200108F271F271-Q273 PolarHBondContact O-N 2.72Å
274D76.3Confident86.7Confident90 Ų9036 Ų3648%0.48118%0.179SC..PPolyproline II helixtrans-62.3173.6173.4-74.4-23.8000111.2E276 E277 K278D274-E276 PolarHBondContact O-N 3.26Å; D274-E277 WeakPolarHBondContact O-CA 3.1Å; D274-E277 PolarHBondContact O-N 2.87Å; D274-K278 PolarHBondContact N-O 3.2Å; D274-K278 VanDerWaalsContact N-O 3.17Å
275N78.3Confident87.2Confident180 Ų18035.7 Ų35.796%0.96318%0.178SC*.THydrogen-bonded Turntrans-55.2-19.2172.7-67.2-26.3000113.7
276E78.3Confident87.5Confident135 Ų13535.5 Ų35.563%0.63118%0.175SC*.THydrogen-bonded Turntrans-928.9174.6-60.1-170.8174.700113.7D274 K278D274-E276 PolarHBondContact O-N 3.26Å; E276-K278 HydrophobicContact CB-CD 4.13Å; E276-K278 HydrophobicContact CB-CG 4.16Å; E276-K278 PolarHBondContact O-N 2.87Å; E276-K278 WeakPolarHBondContact OE2-CE 3.29Å; E276-K278 IonicContact OE2-NZ 3.25Å; E276-K278 PolarHBondContact OE2-NZ 2.8Å
277E80.9Confident87.8Confident103 Ų10335.5 Ų35.548%0.48118%0.175SC..  trans56.328.6-173-56.1-172.1172.300114.2D274D274-E277 WeakPolarHBondContact O-CA 3.1Å; D274-E277 PolarHBondContact O-N 2.87Å
278K86.5Confident87.9Confident79 Ų7935.5 Ų35.534%0.34318%0.175SC..  trans-97.9134.3-179.8-69.5177.1-176.1165.40110.9L164 D274 E276 S282L164-K278 HydrophobicContact CD1-CB 4.46Å; L164-K278 HydrophobicContact CD2-CB 4.15Å; L164-K278 HydrophobicContact CD2-CD 4.04Å; D274-K278 PolarHBondContact N-O 3.2Å; D274-K278 VanDerWaalsContact N-O 3.17Å; E276-K278 HydrophobicContact CB-CD 4.13Å; E276-K278 HydrophobicContact CB-CG 4.16Å; E276-K278 PolarHBondContact O-N 2.87Å; E276-K278 WeakPolarHBondContact OE2-CE 3.29Å; E276-K278 IonicContact OE2-NZ 3.25Å; E276-K278 PolarHBondContact OE2-NZ 2.8Å; K278-S282 WeakPolarHBondContact CA-OG 3.37Å
279S90.8Very high88.1Confident0 Ų037.8 Ų37.80%019%0.189CC..  trans-149172.4170.771.90000109.6L164 A281 S282 L283L164-S279 WeakPolarHBondContact CD1-O 3.38Å; S279-A281 PolarHBondContact O-N 3.38Å; S279-A281 PolarHBondContact OG-N 2.9Å; S279-S282 PolarHBondContact N-OG 3.08Å; S279-S282 PolarHBondContact O-N 3.13Å; S279-S282 VanDerWaalsContact O-N 3.17Å; S279-S282 PolarHBondContact O-OG 2.94Å; S279-S282 VanDerWaalsContact O-OG 3.06Å; S279-S282 PolarHBondContact OG-N 3.02Å; S279-L283 PolarHBondContact O-N 2.67Å
280V91.8Very high88.3Confident1 Ų141.3 Ų41.31%0.00620%0.203CC..Hα-helixtrans-57.5-34.6176.2174.90000111.6M139 T146 L166 L270 L283 F315 L319M139-V280 HydrophobicContact CE-CG1 4.02Å; M139-V280 HydrophobicContact SD-CG1 3.65Å; T146-V280 HydrophobicContact CG2-CG1 4.29Å; L166-V280 HydrophobicContact CB-CG2 4.41Å; L166-V280 HydrophobicContact CD1-CG2 4.41Å; L270-V280 HydrophobicContact CB-CG2 4.37Å; L270-V280 HydrophobicContact CD2-CG2 4.44Å; L270-V280 WeakPolarHBondContact O-CG2 3.25Å; L270-V280 PolarHBondContact O-N 2.65Å; V280-L283 WeakPolarHBondContact O-CB 3.35Å; V280-F315 HydrophobicContact CG1-CZ 4.23Å; V280-L319 HydrophobicContact CG1-CD1 4.09Å
281A92.5Very high88.4Confident0 Ų041.3 Ų41.30%020%0.203CC..Hα-helixtrans-75.2-38.117800000113S279 L283 L319 E322 I323 L326S279-A281 PolarHBondContact O-N 3.38Å; S279-A281 PolarHBondContact OG-N 2.9Å; A281-L283 VanDerWaalsContact C-N 3.25Å; A281-L283 PolarHBondContact O-N 2.95Å; A281-L319 HydrophobicContact CB-CD1 3.99Å; A281-E322 HydrophobicContact CB-CB 3.69Å; A281-E322 HydrophobicContact CB-CG 3.56Å; A281-I323 HydrophobicContact CB-CG1 4.26Å; A281-L326 HydrophobicContact CB-CD1 3.7Å
282S91.9Very high88.5Confident1 Ų144.7 Ų44.71%0.00723%0.225CC..Hα-helixtrans-66.1-33.4177.281.90000111.2K278 S279 V284 L285 D286K278-S282 WeakPolarHBondContact CA-OG 3.37Å; S279-S282 PolarHBondContact N-OG 3.08Å; S279-S282 PolarHBondContact O-N 3.13Å; S279-S282 VanDerWaalsContact O-N 3.17Å; S279-S282 PolarHBondContact O-OG 2.94Å; S279-S282 VanDerWaalsContact O-OG 3.06Å; S279-S282 PolarHBondContact OG-N 3.02Å; S282-V284 VanDerWaalsContact C-N 3.27Å; S282-V284 PolarHBondContact O-N 3.25Å; S282-L285 CarbonylContact O-C 3.58Å; S282-L285 WeakPolarHBondContact O-CA 3.28Å; S282-L285 WeakPolarHBondContact O-CB 3.48Å; S282-L285 PolarHBondContact O-N 2.46Å; S282-D286 PolarHBondContact O-N 2.66Å
283L93.1Very high88.7Confident4 Ų449.4 Ų49.42%0.02125%0.25CC..Hα-helixtrans-56.2-41.4-179.1-158.866.6000112.8T146 V148 E162 L164 S279 V280 A281 L285 A287T146-L283 HydrophobicContact CG2-CD2 4.06Å; V148-L283 HydrophobicContact CB-CD2 4.39Å; V148-L283 HydrophobicContact CB-CG 4.31Å; V148-L283 HydrophobicContact CG2-CB 4.21Å; V148-L283 HydrophobicContact CG2-CD2 3.7Å; V148-L283 HydrophobicContact CG2-CG 3.81Å; E162-L283 HydrophobicContact CB-CD1 3.34Å; E162-L283 HydrophobicContact CB-CG 3.74Å; E162-L283 HydrophobicContact CG-CD1 4.24Å; L164-L283 HydrophobicContact CB-CD2 4.4Å; L164-L283 HydrophobicContact CD1-CB 4.21Å; L164-L283 HydrophobicContact CD1-CD1 3.82Å; L164-L283 HydrophobicContact CD1-CD2 4.12Å; L164-L283 HydrophobicContact CD1-CG 4.3Å; L164-L283 HydrophobicContact CD2-CD1 4.47Å; L164-L283 HydrophobicContact CG-CD1 3.66Å; L164-L283 HydrophobicContact CG-CD2 4.08Å; L164-L283 HydrophobicContact CG-CG 4.42Å; S279-L283 PolarHBondContact O-N 2.67Å; V280-L283 WeakPolarHBondContact O-CB 3.35Å; A281-L283 VanDerWaalsContact C-N 3.25Å; A281-L283 PolarHBondContact O-N 2.95Å; L283-L285 VanDerWaalsContact C-N 3.31Å; L283-L285 PolarHBondContact O-N 3.05Å; L283-A287 WeakPolarHBondContact O-CB 3.45Å; L283-A287 PolarHBondContact O-N 3.37Å
284V93.3Very high89.2Confident0 Ų053.4 Ų53.40%027%0.273CS..Hα-helixtrans-61.6-41.6176173.90000110.8L137 M139 V148 S282 L288 L303 I323L137-V284 HydrophobicContact CD2-CG1 3.6Å; M139-V284 HydrophobicContact SD-CG2 3.68Å; V148-V284 HydrophobicContact CG2-CG2 4.21Å; S282-V284 VanDerWaalsContact C-N 3.27Å; S282-V284 PolarHBondContact O-N 3.25Å; V284-L288 WeakPolarHBondContact O-CB 3.34Å; V284-L288 PolarHBondContact O-N 3.01Å; V284-L303 HydrophobicContact CG1-CD1 4.03Å; V284-L303 HydrophobicContact CG1-CD2 4.38Å; V284-I323 HydrophobicContact CB-CD1 4.37Å; V284-I323 HydrophobicContact CG1-CD1 4.08Å; V284-I323 HydrophobicContact CG2-CD1 4.49Å
285L92.3Very high89.9Confident0 Ų049.7 Ų49.70%025%0.254CS..Hα-helixtrans-75.3-41.7-179.2-63.2176.1000112.1S282 L283 A287 L288 V289 I323 L326 V327 Y332 L336 F341S282-L285 CarbonylContact O-C 3.58Å; S282-L285 WeakPolarHBondContact O-CA 3.28Å; S282-L285 WeakPolarHBondContact O-CB 3.48Å; S282-L285 PolarHBondContact O-N 2.46Å; L283-L285 VanDerWaalsContact C-N 3.31Å; L283-L285 PolarHBondContact O-N 3.05Å; L285-A287 PolarHBondContact O-N 3.17Å; L285-L288 WeakPolarHBondContact O-CB 3.47Å; L285-L288 PolarHBondContact O-N 2.8Å; L285-L288 VanDerWaalsContact O-N 3.15Å; L285-V289 WeakPolarHBondContact O-CG2 3.47Å; L285-V289 PolarHBondContact O-N 3.26Å; L285-I323 HydrophobicContact CD2-CG2 4.22Å; L285-L326 HydrophobicContact CD1-CB 3.37Å; L285-L326 HydrophobicContact CD1-CD1 4.21Å; L285-L326 HydrophobicContact CD1-CG 4.44Å; L285-V327 HydrophobicContact CD1-CG2 4.14Å; L285-V327 HydrophobicContact CD2-CG2 3.64Å; L285-Y332 HydrophobicContact CB-CD1 3.73Å; L285-Y332 HydrophobicContact CB-CE1 3.55Å; L285-Y332 HydrophobicContact CB-CG 4.37Å; L285-Y332 HydrophobicContact CD1-CD1 4.26Å; L285-Y332 HydrophobicContact CD1-CD2 4Å; L285-Y332 HydrophobicContact CD1-CE1 4.39Å; L285-Y332 HydrophobicContact CD1-CE2 4.11Å; L285-Y332 HydrophobicContact CD1-CG 4.06Å; L285-L336 HydrophobicContact CD2-CD1 3.76Å; L285-F341 HydrophobicContact CD2-CE1 4.05Å; L285-F341 HydrophobicContact CD2-CZ 3.73Å
286D92.8Very high90.5Very high22 Ų2243.3 Ų43.312%0.11822%0.217CC..Hα-helixtrans-62.3-43.2177.7-70.6-41.1000110.8E162 S282 L288 V289 K290 K331 Y332E162-D286 HydrophobicContact CG-CB 4.31Å; S282-D286 PolarHBondContact O-N 2.66Å; D286-L288 VanDerWaalsContact C-N 3.3Å; D286-L288 PolarHBondContact O-N 3.35Å; D286-V289 PolarHBondContact O-N 2.67Å; D286-K290 PolarHBondContact O-N 2.91Å; D286-K331 IonicContact OD1-NZ 3.77Å; D286-K331 PolarHBondContact OD1-NZ 2.86Å; D286-Y332 PolarHBondContact OD1-OH 3.06Å
287A93.3Very high91Very high0 Ų042.6 Ų42.60%021%0.211CC..Hα-helixtrans-60.1-40173.100000112.1L137 V148 A160 E162 L283 L285 K290 C291L137-A287 HydrophobicContact CD1-CB 4.43Å; V148-A287 HydrophobicContact CB-CB 4.27Å; V148-A287 HydrophobicContact CG1-CB 3.55Å; A160-A287 WeakPolarHBondContact O-CB 3.44Å; E162-A287 HydrophobicContact CB-CB 4.41Å; E162-A287 HydrophobicContact CG-CB 3.86Å; L283-A287 WeakPolarHBondContact O-CB 3.45Å; L283-A287 PolarHBondContact O-N 3.37Å; L285-A287 PolarHBondContact O-N 3.17Å; A287-K290 PolarHBondContact O-N 3Å; A287-C291 PolarHBondContact O-N 2.81Å; A287-C291 PolarHBondContact O-SG 3.46Å
288L92.4Very high91.5Very high2 Ų239.1 Ų39.11%0.0120%0.2CC..Hα-helixtrans-69-36.4177.9-166.466.3000112.4V284 L285 D286 C291 R296 L299 L336 F341V284-L288 WeakPolarHBondContact O-CB 3.34Å; V284-L288 PolarHBondContact O-N 3.01Å; L285-L288 WeakPolarHBondContact O-CB 3.47Å; L285-L288 PolarHBondContact O-N 2.8Å; L285-L288 VanDerWaalsContact O-N 3.15Å; D286-L288 VanDerWaalsContact C-N 3.3Å; D286-L288 PolarHBondContact O-N 3.35Å; L288-C291 WeakPolarHBondContact O-CB 3.45Å; L288-C291 PolarHBondContact O-N 2.86Å; L288-R296 HydrophobicContact CD1-CB 4.13Å; L288-R296 HydrophobicContact CD1-CG 4.3Å; L288-R296 HydrophobicContact CG-CB 4.33Å; L288-R296 HydrophobicContact CG-CG 4.32Å; L288-R296 WeakPolarHBondContact O-CG 3.34Å; L288-R296 PolarHBondContact O-NE 3.38Å; L288-L299 HydrophobicContact CD1-CB 3.69Å; L288-L299 HydrophobicContact CD1-CD1 4.33Å; L288-L336 HydrophobicContact CB-CD2 4.39Å; L288-L336 HydrophobicContact CD2-CD1 4.17Å; L288-L336 HydrophobicContact CD2-CD2 3.67Å; L288-L336 HydrophobicContact CG-CD2 3.86Å; L288-F341 HydrophobicContact CD2-CE1 4.16Å; L288-F341 HydrophobicContact CD2-CZ 4.41Å
289V92.1Very high91.8Very high49 Ų4935.3 Ų35.330%0.29718%0.183SC..Hα-helixtrans-67.6-36.9175.8171.30000111.1L285 D286 C291 R296 Y332 A335 L336L285-V289 WeakPolarHBondContact O-CG2 3.47Å; L285-V289 PolarHBondContact O-N 3.26Å; D286-V289 PolarHBondContact O-N 2.67Å; V289-C291 PolarHBondContact O-N 3.05Å; V289-R296 PolarHBondContact O-NH2 3.17Å; V289-Y332 HydrophobicContact CG2-CD1 4.07Å; V289-Y332 HydrophobicContact CG2-CE1 4.46Å; V289-A335 HydrophobicContact CG1-CB 4.29Å; V289-A335 HydrophobicContact CG2-CB 3.94Å; V289-L336 HydrophobicContact CG2-CD2 4.19Å; V289-L336 HydrophobicContact CG2-CG 4.26Å
290K92.7Very high91.7Very high108 Ų10835.4 Ų35.447%0.4718%0.184SC..Hα-helixtrans-66.1-22.6173.5-74.6178.8169.7173.50113.4A160 E162 D286 A287A160-K290 HydrophobicContact CB-CB 3.72Å; E162-K290 HydrophobicContact CG-CD 4.44Å; E162-K290 WeakPolarHBondContact OE1-CD 3.34Å; E162-K290 WeakPolarHBondContact OE1-CE 3.47Å; E162-K290 IonicContact OE1-NZ 2.96Å; E162-K290 PolarHBondContact OE1-NZ 3.14Å; E162-K290 IonicContact OE2-NZ 2.72Å; E162-K290 PolarHBondContact OE2-NZ 2.96Å; D286-K290 PolarHBondContact O-N 2.91Å; A287-K290 PolarHBondContact O-N 3Å
291C92.1Very high91.7Very high1 Ų137.4 Ų37.41%0.00719%0.193CC..SBendtrans-70.3149.8177.9-69.20000112.5P150 A287 L288 V289 R296 L299P150-C291 VanDerWaalsContact CB-SG 3.55Å; P150-C291 WeakPolarHBondContact CG-SG 3.34Å; A287-C291 PolarHBondContact O-N 2.81Å; A287-C291 PolarHBondContact O-SG 3.46Å; L288-C291 WeakPolarHBondContact O-CB 3.45Å; L288-C291 PolarHBondContact O-N 2.86Å; V289-C291 PolarHBondContact O-N 3.05Å; C291-R296 HydrophobicContact CB-CG 4.22Å; C291-R296 PolarHBondContact O-NE 3.12Å; C291-R296 PolarHBondContact O-NH2 3.41Å; C291-L299 HydrophobicContact CB-CD1 4.02Å; C291-L299 VanDerWaalsContact SG-CD1 3.54Å
292P91.4Very high91.7Very high71 Ų7138.9 Ų38.946%0.46120%0.201SC..  trans-56.1147169.3-23.233.3000112.3D294 T295 R296P292-D294 VanDerWaalsContact C-N 3.26Å; P292-D294 PolarHBondContact O-N 3.44Å; P292-D294 VanDerWaalsContact O-N 3.17Å; P292-T295 PolarHBondContact O-N 3.01Å; P292-T295 VanDerWaalsContact O-N 3.12Å; P292-T295 PolarHBondContact O-OG1 3.22Å; P292-R296 WeakPolarHBondContact O-CG 3.3Å; P292-R296 PolarHBondContact O-N 3.41Å
293I89.3Confident91.8Very high131 Ų13139 Ų3967%0.67220%0.201SC*.Hα-helixtrans-55-40.9-171.9-61.8170.7000112.2T295 R296I293-T295 VanDerWaalsContact C-N 3.32Å; I293-T295 PolarHBondContact O-N 3.09Å; I293-R296 PolarHBondContact O-N 3.49Å
294D90.6Very high91.9Very high144 Ų14438.8 Ų38.877%0.7720%0.2SC*.Hα-helixtrans-67.4-30.4-175.8-59.6-33.3000113.2P292P292-D294 VanDerWaalsContact C-N 3.26Å; P292-D294 PolarHBondContact O-N 3.44Å; P292-D294 VanDerWaalsContact O-N 3.17Å
295T91.2Very high91.9Very high13 Ų1339.2 Ų39.28%0.0820%0.203CC..Hα-helixtrans-84.5-22.4-177.267.10000112.5Y152 I157 P292 I293 K297 A298 L299Y152-T295 HydrophobicContact CD1-CG2 3.94Å; Y152-T295 HydrophobicContact CD2-CG2 3.73Å; Y152-T295 HydrophobicContact CE1-CG2 4.12Å; Y152-T295 HydrophobicContact CE2-CG2 3.91Å; Y152-T295 HydrophobicContact CG-CG2 3.75Å; I157-T295 HydrophobicContact CD1-CG2 4.39Å; P292-T295 PolarHBondContact O-N 3.01Å; P292-T295 VanDerWaalsContact O-N 3.12Å; P292-T295 PolarHBondContact O-OG1 3.22Å; I293-T295 VanDerWaalsContact C-N 3.32Å; I293-T295 PolarHBondContact O-N 3.09Å; T295-K297 VanDerWaalsContact C-N 3.31Å; T295-K297 PolarHBondContact O-N 2.8Å; T295-A298 PolarHBondContact O-N 3.47Å; T295-L299 VanDerWaalsContact O-CG 3.28Å; T295-L299 WeakPolarHBondContact O-CG 3.38Å; T295-L299 PolarHBondContact O-N 3.11Å
296R90.9Very high92Very high46 Ų4639.3 Ų39.317%0.17420%0.203CC..Hα-helixtrans-57.1-38.9-173.5-65.7-179.4-171171.23.4113.7L288 V289 C291 P292 I293 S300 A335L288-R296 HydrophobicContact CD1-CB 4.13Å; L288-R296 HydrophobicContact CD1-CG 4.3Å; L288-R296 HydrophobicContact CG-CB 4.33Å; L288-R296 HydrophobicContact CG-CG 4.32Å; L288-R296 WeakPolarHBondContact O-CG 3.34Å; L288-R296 PolarHBondContact O-NE 3.38Å; V289-R296 PolarHBondContact O-NH2 3.17Å; C291-R296 HydrophobicContact CB-CG 4.22Å; C291-R296 PolarHBondContact O-NE 3.12Å; C291-R296 PolarHBondContact O-NH2 3.41Å; P292-R296 WeakPolarHBondContact O-CG 3.3Å; P292-R296 PolarHBondContact O-N 3.41Å; I293-R296 PolarHBondContact O-N 3.49Å; R296-S300 WeakPolarHBondContact O-CB 3.39Å; R296-S300 PolarHBondContact O-N 3.19Å; R296-S300 PolarHBondContact O-OG 3.05Å; R296-A335 PolarHBondContact NH1-O 3.4Å
297K90Very high91.9Very high120 Ų12038.6 Ų38.652%0.52220%0.201SC..Hα-helixtrans-65-49.4179.9-176.5179.9175.6-175.80111.4T295 L299 S300 E301 T338T295-K297 VanDerWaalsContact C-N 3.31Å; T295-K297 PolarHBondContact O-N 2.8Å; K297-L299 VanDerWaalsContact C-N 3.32Å; K297-L299 PolarHBondContact O-N 2.95Å; K297-S300 PolarHBondContact O-N 3.04Å; K297-S300 PolarHBondContact O-OG 3.22Å; K297-E301 WeakPolarHBondContact CE-OE1 3.33Å; K297-E301 WeakPolarHBondContact O-CB 3.41Å; K297-E301 WeakPolarHBondContact O-CG 3.36Å; K297-E301 PolarHBondContact O-N 3.02Å; K297-E301 VanDerWaalsContact O-N 3.09Å; K297-T338 HydrophobicContact CG-CG2 4.25Å
298A91.1Very high91.7Very high29 Ų2940.2 Ų40.224%0.2422%0.218CC..Hα-helixtrans-63.7-39.3179.200000111.9Y152 T295 N302Y152-A298 HydrophobicContact CD2-CB 4.5Å; Y152-A298 HydrophobicContact CE2-CB 4.07Å; T295-A298 PolarHBondContact O-N 3.47Å; A298-N302 WeakPolarHBondContact O-CB 3.44Å; A298-N302 PolarHBondContact O-N 3.16Å
299L91.8Very high91.6Very high0 Ų040.7 Ų40.70%022%0.221CC..Hα-helixtrans-69.2-41179.5-67.4172.4000112.8G136 L137 P150 V151 I157 L288 C291 T295 K297 N302G136-L299 VanDerWaalsContact C-CD2 3.47Å; G136-L299 WeakPolarHBondContact O-CD2 2.87Å; L137-L299 HydrophobicContact CB-CB 4.41Å; P150-L299 HydrophobicContact CB-CD1 3.78Å; P150-L299 HydrophobicContact CB-CD2 4.1Å; V151-L299 VanDerWaalsContact O-CD2 3.26Å; V151-L299 WeakPolarHBondContact O-CD2 3.45Å; I157-L299 HydrophobicContact CD1-CD1 4.4Å; L288-L299 HydrophobicContact CD1-CB 3.69Å; L288-L299 HydrophobicContact CD1-CD1 4.33Å; C291-L299 HydrophobicContact CB-CD1 4.02Å; C291-L299 VanDerWaalsContact SG-CD1 3.54Å; T295-L299 VanDerWaalsContact O-CG 3.28Å; T295-L299 WeakPolarHBondContact O-CG 3.38Å; T295-L299 PolarHBondContact O-N 3.11Å; K297-L299 VanDerWaalsContact C-N 3.32Å; K297-L299 PolarHBondContact O-N 2.95Å; L299-N302 CarbonylContact O-C 3.56Å; L299-N302 PolarHBondContact O-N 3.4Å
300S90.3Very high91.6Very high1 Ų138.7 Ų38.71%0.00721%0.209CC..Hα-helixtrans-69.3-35.9177.451.30000112.9R296 K297 N302 S340 F341 R342R296-S300 WeakPolarHBondContact O-CB 3.39Å; R296-S300 PolarHBondContact O-N 3.19Å; R296-S300 PolarHBondContact O-OG 3.05Å; K297-S300 PolarHBondContact O-N 3.04Å; K297-S300 PolarHBondContact O-OG 3.22Å; S300-N302 PolarHBondContact O-N 3.38Å; S300-S340 CarbonylContact C-O 3.5Å; S300-F341 WeakPolarHBondContact O-CA 3.36Å; S300-R342 PolarHBondContact O-N 2.88Å
301E91.3Very high91.5Very high44 Ų4438.2 Ų38.221%0.20621%0.21CC..Hα-helixtrans-68.8-21.6176-82.5-173.9-153.700113.7K297 R342 H344K297-E301 WeakPolarHBondContact CE-OE1 3.33Å; K297-E301 WeakPolarHBondContact O-CB 3.41Å; K297-E301 WeakPolarHBondContact O-CG 3.36Å; K297-E301 PolarHBondContact O-N 3.02Å; K297-E301 VanDerWaalsContact O-N 3.09Å; E301-R342 VanDerWaalsContact O-CB 3.31Å; E301-R342 WeakPolarHBondContact O-CB 3.31Å; E301-R342 PolarHBondContact O-NE 3.47Å; E301-R342 IonicContact OE2-CZ 3.13Å; E301-R342 IonicContact OE2-NH1 3.35Å; E301-R342 IonicContact OE2-NH2 2.88Å; E301-R342 PolarHBondContact OE2-NH2 2.88Å; E301-H344 PolarHBondContact O-NE2 3.15Å
302N93Very high91.4Very high31 Ų3139.1 Ų39.117%0.16622%0.215CC..SBendtrans-125.472.8-175.2-63.3-22.9000110.6I133 S135 G136 L137 A298 L299 S300 H344I133-N302 HydrophobicContact CD1-CB 4.3Å; S135-N302 WeakPolarHBondContact O-CB 3.29Å; S135-N302 PolarHBondContact O-ND2 2.92Å; G136-N302 CarbonylContact C-O 3.56Å; G136-N302 WeakPolarHBondContact CA-O 3.17Å; L137-N302 PolarHBondContact N-O 3.41Å; A298-N302 WeakPolarHBondContact O-CB 3.44Å; A298-N302 PolarHBondContact O-N 3.16Å; L299-N302 CarbonylContact O-C 3.56Å; L299-N302 PolarHBondContact O-N 3.4Å; S300-N302 PolarHBondContact O-N 3.38Å; N302-H344 PolarHBondContact OD1-NE2 3.21Å
303L93.7Very high91.4Very high2 Ų239.3 Ų39.31%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-90125.5175.3-175.763.1000110.5L137 V284 I305 I323 R342 L343 H344L137-L303 HydrophobicContact CB-CD1 4.01Å; L137-L303 HydrophobicContact CD2-CD1 4.03Å; L137-L303 HydrophobicContact CG-CD1 4Å; V284-L303 HydrophobicContact CG1-CD1 4.03Å; V284-L303 HydrophobicContact CG1-CD2 4.38Å; L303-I305 HydrophobicContact CG-CG1 4.37Å; L303-I323 HydrophobicContact CD2-CD1 4Å; L303-R342 WeakPolarHBondContact CB-O 2.86Å; L303-R342 PolarHBondContact N-O 2.95Å; L303-L343 HydrophobicContact CD2-CD1 3.86Å; L303-L343 HydrophobicContact CD2-CG 4.34Å; L303-L343 WeakPolarHBondContact O-CA 3.22Å; L303-H344 PolarHBondContact O-N 3.22Å
304V94.1Very high91.4Very high0 Ų035 Ų350%020%0.204CC..EExtended strand (participates in β ladder)trans-118.2130.2179-174.50000108.8L131 I133 L137 V138 M139 I306L131-V304 HydrophobicContact CD1-CB 4.19Å; L131-V304 HydrophobicContact CD1-CG1 3.68Å; L131-V304 HydrophobicContact CD1-CG2 3.39Å; I133-V304 HydrophobicContact CD1-CG2 3.97Å; L137-V304 PolarHBondContact O-N 2.9Å; V138-V304 CarbonylContact C-O 3.57Å; V138-V304 WeakPolarHBondContact CA-O 3.49Å; V138-V304 HydrophobicContact CG2-CB 4.28Å; M139-V304 PolarHBondContact N-O 3.42Å; V304-I306 HydrophobicContact CG1-CG2 4.1Å
305I94.4Very high91.5Very high9 Ų928.3 Ų28.35%0.04617%0.168CC..EExtended strand (participates in β ladder)trans-119.3122.2-177.9-57.4169.3000108.3M139 L303 A310 F315 L316 L319 L343M139-I305 HydrophobicContact CE-CD1 4.32Å; M139-I305 HydrophobicContact CE-CG1 4.12Å; M139-I305 HydrophobicContact CE-CG2 3.75Å; M139-I305 WeakPolarHBondContact O-CA 3.17Å; L303-I305 HydrophobicContact CG-CG1 4.37Å; I305-A310 HydrophobicContact CG2-CB 3.57Å; I305-F315 HydrophobicContact CG2-CE1 4.01Å; I305-L316 HydrophobicContact CB-CD2 4.17Å; I305-L316 HydrophobicContact CD1-CD2 3.6Å; I305-L316 HydrophobicContact CG1-CD2 4.49Å; I305-L316 HydrophobicContact CG2-CD2 4.18Å; I305-L319 HydrophobicContact CD1-CD2 3.35Å; I305-L319 HydrophobicContact CG1-CD2 4.26Å; I305-L343 HydrophobicContact CD1-CD2 3.42Å; I305-L343 VanDerWaalsContact CD1-CD2 3.42Å; I305-L343 HydrophobicContact CD1-CG 3.9Å
306I93.5Very high91.5Very high2 Ų231.1 Ų31.11%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-126.9174179.769178.7000110.5A127 V138 M139 D140 C141 V304 T353A127-I306 HydrophobicContact CB-CD1 3.73Å; A127-I306 HydrophobicContact CB-CG2 3.8Å; V138-I306 HydrophobicContact CG1-CD1 3.73Å; V138-I306 HydrophobicContact CG1-CG1 4.05Å; M139-I306 PolarHBondContact O-N 3.07Å; D140-I306 HydrophobicContact CB-CD1 3.89Å; D140-I306 HydrophobicContact CB-CG1 3.64Å; C141-I306 PolarHBondContact N-O 3.29Å; V304-I306 HydrophobicContact CG1-CG2 4.1Å; I306-T353 HydrophobicContact CG2-CG2 3.78Å
307G90.4Very high91.6Very high7 Ų734.5 Ų34.57%0.07220%0.2CC..SBendtrans104.8170176.600000113.8D140 C141 P350 N351D140-G307 WeakPolarHBondContact OD1-CA 3.48Å; C141-G307 CarbonylContact O-C 3.59Å; C141-G307 WeakPolarHBondContact O-CA 3.4Å; G307-P350 PolarHBondContact N-O 2.83Å; G307-N351 PolarHBondContact O-N 3.5Å
308G89.2Confident91.7Very high35 Ų3528.8 Ų28.836%0.36118%0.175SC..SBendtrans-73.2-41.3-176.300000112.8C141 A310 M311C141-G308 PolarHBondContact O-N 3.12Å; G308-A310 VanDerWaalsContact C-N 3.27Å; G308-A310 PolarHBondContact O-N 3.36Å; G308-M311 WeakPolarHBondContact O-CB 3.32Å; G308-M311 PolarHBondContact O-N 3.42Å; G308-M311 VanDerWaalsContact O-N 3.11Å
309T91.1Very high91.8Very high12 Ų1227.4 Ų27.47%0.07416%0.164CC..G310 helixtrans-67.8-29.6-177-50.20000111.8C141 G142 I171 L270 M311 L312C141-T309 PolarHBondContact O-N 3Å; C141-T309 PolarHBondContact O-OG1 2.83Å; G142-T309 PolarHBondContact O-OG1 2.91Å; I171-T309 HydrophobicContact CD1-CG2 3.69Å; L270-T309 HydrophobicContact CD1-CG2 4.02Å; T309-M311 PolarHBondContact O-N 2.63Å; T309-M311 VanDerWaalsContact O-N 3.15Å; T309-L312 HydrophobicContact CG2-CD1 3.96Å; T309-L312 WeakPolarHBondContact O-CB 3.32Å; T309-L312 WeakPolarHBondContact O-CD1 3.33Å; T309-L312 VanDerWaalsContact O-CG 3.31Å; T309-L312 WeakPolarHBondContact O-CG 3.23Å; T309-L312 PolarHBondContact O-N 3.22Å
310A90.6Very high91.9Very high6 Ų628.8 Ų28.85%0.0517%0.171CC..G310 helixtrans-67.1-10.5175.400000114.1I305 G308 L312 F315 P350I305-A310 HydrophobicContact CG2-CB 3.57Å; G308-A310 VanDerWaalsContact C-N 3.27Å; G308-A310 PolarHBondContact O-N 3.36Å; A310-L312 VanDerWaalsContact C-N 3.26Å; A310-F315 HydrophobicContact CB-CD1 4.09Å; A310-F315 HydrophobicContact CB-CE1 4.1Å; A310-P350 HydrophobicContact CB-CB 4.36Å
311M91.1Very high92Very high98 Ų9829.6 Ų29.648%0.48318%0.178SC..G310 helixtrans-78.1-8.9175.2-65.7-173.156.300113.5G308 T309 K349 P350 N351G308-M311 WeakPolarHBondContact O-CB 3.32Å; G308-M311 PolarHBondContact O-N 3.42Å; G308-M311 VanDerWaalsContact O-N 3.11Å; T309-M311 PolarHBondContact O-N 2.63Å; T309-M311 VanDerWaalsContact O-N 3.15Å; M311-K349 HydrophobicContact CE-CB 4.48Å; M311-P350 HydrophobicContact CG-CB 4.31Å; M311-P350 HydrophobicContact CG-CG 4.42Å; M311-N351 HydrophobicContact CG-CB 4.33Å; M311-N351 HydrophobicContact SD-CB 3.39Å; M311-N351 WeakPolarHBondContact SD-CB 3.4Å
312L90.9Very high92Very high20 Ų2027.6 Ų27.611%0.10517%0.168CC..SBendtrans-62140178.6-71.4168.4000111.5I217 M267 T309 A310 G314 F315I217-L312 HydrophobicContact CD1-CB 3.59Å; I217-L312 HydrophobicContact CD1-CD1 4.08Å; I217-L312 HydrophobicContact CG1-CB 4.32Å; M267-L312 HydrophobicContact CE-CD1 4.41Å; M267-L312 HydrophobicContact SD-CD1 3.56Å; M267-L312 VanDerWaalsContact SD-CD1 3.56Å; T309-L312 HydrophobicContact CG2-CD1 3.96Å; T309-L312 WeakPolarHBondContact O-CB 3.32Å; T309-L312 WeakPolarHBondContact O-CD1 3.33Å; T309-L312 VanDerWaalsContact O-CG 3.31Å; T309-L312 WeakPolarHBondContact O-CG 3.23Å; T309-L312 PolarHBondContact O-N 3.22Å; A310-L312 VanDerWaalsContact C-N 3.26Å; L312-G314 PolarHBondContact O-N 2.85Å; L312-F315 HydrophobicContact CB-CB 4.5Å; L312-F315 WeakPolarHBondContact O-CB 3.44Å; L312-F315 PolarHBondContact O-N 3.17Å
313P90.6Very high92Very high75 Ų7526.1 Ų26.149%0.48716%0.161SC..THydrogen-bonded Turntrans-66130.3-178.527.7-33.1000110.2F216 I217F216-P313 HydrophobicContact CB-CG 3.91Å; I217-P313 PolarHBondContact N-O 2.83Å
314G89.3Confident91.9Very high42 Ų4232.7 Ų32.743%0.43319%0.185SC..THydrogen-bonded Turntrans88-7.1-179.200000115.5L312 L316 H317 R318L312-G314 PolarHBondContact O-N 2.85Å; G314-L316 PolarHBondContact O-N 3.48Å; G314-H317 PolarHBondContact O-N 3.29Å; G314-R318 PolarHBondContact O-N 3.46Å
315F92.5Very high91.7Very high2 Ų235.9 Ų35.91%0.00920%0.202CC..Hα-helixtrans-54.9-50.4-175.8-173.6-90.9000113.1M139 I217 L270 F271 V280 I305 A310 L312 H317 R318 L319M139-F315 HydrophobicContact CE-CE1 3.71Å; M139-F315 HydrophobicContact CE-CZ 3.88Å; I217-F315 VanDerWaalsContact CD1-CA 3.44Å; I217-F315 HydrophobicContact CD1-CB 3.43Å; I217-F315 VanDerWaalsContact CD1-CB 3.43Å; I217-F315 HydrophobicContact CD1-CD2 3.41Å; I217-F315 VanDerWaalsContact CD1-CD2 3.41Å; I217-F315 HydrophobicContact CD1-CG 3.88Å; L270-F315 HydrophobicContact CD1-CE2 4.44Å; F271-F315 HydrophobicContact CZ-CD2 4.22Å; F271-F315 HydrophobicContact CZ-CE2 4.06Å; V280-F315 HydrophobicContact CG1-CZ 4.23Å; I305-F315 HydrophobicContact CG2-CE1 4.01Å; A310-F315 HydrophobicContact CB-CD1 4.09Å; A310-F315 HydrophobicContact CB-CE1 4.1Å; L312-F315 HydrophobicContact CB-CB 4.5Å; L312-F315 WeakPolarHBondContact O-CB 3.44Å; L312-F315 PolarHBondContact O-N 3.17Å; F315-H317 PolarHBondContact O-N 3.27Å; F315-R318 PolarHBondContact O-N 3.33Å; F315-L319 HydrophobicContact CE1-CD2 4.14Å; F315-L319 WeakPolarHBondContact O-CB 3.24Å; F315-L319 PolarHBondContact O-N 3.44Å
316L92.2Very high91.5Very high72 Ų7235.5 Ų35.538%0.37720%0.2SC..Hα-helixtrans-64.9-40.2-175.3-56.4177.3000112.5I305 G314 L320 L343I305-L316 HydrophobicContact CB-CD2 4.17Å; I305-L316 HydrophobicContact CD1-CD2 3.6Å; I305-L316 HydrophobicContact CG1-CD2 4.49Å; I305-L316 HydrophobicContact CG2-CD2 4.18Å; G314-L316 PolarHBondContact O-N 3.48Å; L316-L320 WeakPolarHBondContact O-CB 3.3Å; L316-L320 PolarHBondContact O-N 3.14Å; L316-L320 VanDerWaalsContact O-N 3.09Å; L316-L343 HydrophobicContact CB-CD2 4Å; L316-L343 HydrophobicContact CD2-CD2 3.93Å; L316-L343 HydrophobicContact CG-CD2 4.41Å
317H92.3Very high91.3Very high117 Ų11735.8 Ų35.854%0.54220%0.202SC..Hα-helixtrans-67.5-46.7179.4-178.6-107.3000110.8D219 G314 F315 L320 A321D219-H317 IonicContact OD1-CE1 3.99Å; D219-H317 IonicContact OD1-ND1 3.34Å; D219-H317 PolarHBondContact OD1-ND1 3.03Å; G314-H317 PolarHBondContact O-N 3.29Å; F315-H317 PolarHBondContact O-N 3.27Å; H317-L320 PolarHBondContact O-N 2.88Å; H317-A321 WeakPolarHBondContact O-CB 3.07Å; H317-A321 PolarHBondContact O-N 3.38Å
318R92.8Very high91.2Very high1 Ų142 Ų420%0.00423%0.229CC..Hα-helixtrans-60.6-49.7177.4176.757.6-177.5-80.4-1.4111.4I217 S218 E268 F271 G314 F315 L320 A321 E322I217-R318 HydrophobicContact CG2-CB 3.51Å; I217-R318 HydrophobicContact CG2-CG 3.66Å; S218-R318 WeakPolarHBondContact O-CD 3.42Å; S218-R318 PolarHBondContact O-NH1 2.64Å; E268-R318 IonicContact OE1-CZ 3.53Å; E268-R318 IonicContact OE1-NH1 2.73Å; E268-R318 IonicContact OE1-NH2 2.7Å; E268-R318 PolarHBondContact OE1-NH2 2.75Å; E268-R318 IonicContact OE2-CZ 3.85Å; E268-R318 IonicContact OE2-NH1 3.54Å; E268-R318 PolarHBondContact OE2-NH1 3.14Å; E268-R318 IonicContact OE2-NH2 3.54Å; E268-R318 PolarHBondContact OE2-NH2 3.12Å; F271-R318 HydrophobicContact CD1-CG 4.1Å; F271-R318 HydrophobicContact CD2-CG 3.89Å; F271-R318 HydrophobicContact CE1-CG 3.89Å; F271-R318 HydrophobicContact CE2-CB 4.44Å; F271-R318 HydrophobicContact CE2-CG 3.66Å; F271-R318 HydrophobicContact CG-CG 4.11Å; F271-R318 HydrophobicContact CZ-CB 4.2Å; F271-R318 HydrophobicContact CZ-CG 3.66Å; G314-R318 PolarHBondContact O-N 3.46Å; F315-R318 PolarHBondContact O-N 3.33Å; R318-L320 VanDerWaalsContact C-N 3.34Å; R318-L320 PolarHBondContact O-N 2.91Å; R318-A321 PolarHBondContact O-N 3.39Å; R318-E322 IonicContact CZ-OE2 2.81Å; R318-E322 IonicContact NE-OE2 2.66Å; R318-E322 PolarHBondContact NE-OE2 3.05Å; R318-E322 IonicContact NH2-OE2 3.18Å; R318-E322 PolarHBondContact NH2-OE2 3.01Å; R318-E322 WeakPolarHBondContact O-CB 3.11Å; R318-E322 PolarHBondContact O-N 3.17Å
319L93.3Very high91.1Very high0 Ų043.3 Ų43.30%023%0.225CC..Hα-helixtrans-58-46179.4-177.475000111.9M139 F271 V280 A281 I305 F315 A321 E322 I323M139-L319 HydrophobicContact CE-CD1 4.23Å; M139-L319 HydrophobicContact CE-CD2 3.36Å; M139-L319 HydrophobicContact CE-CG 4.43Å; M139-L319 HydrophobicContact SD-CD2 4.36Å; F271-L319 HydrophobicContact CE1-CB 4.19Å; F271-L319 HydrophobicContact CE1-CD1 4Å; V280-L319 HydrophobicContact CG1-CD1 4.09Å; A281-L319 HydrophobicContact CB-CD1 3.99Å; I305-L319 HydrophobicContact CD1-CD2 3.35Å; I305-L319 HydrophobicContact CG1-CD2 4.26Å; F315-L319 HydrophobicContact CE1-CD2 4.14Å; F315-L319 WeakPolarHBondContact O-CB 3.24Å; F315-L319 PolarHBondContact O-N 3.44Å; L319-A321 VanDerWaalsContact C-N 3.34Å; L319-A321 PolarHBondContact O-N 3.46Å; L319-E322 PolarHBondContact O-N 3.46Å; L319-I323 HydrophobicContact CD1-CD1 4.32Å; L319-I323 HydrophobicContact CD2-CD1 4.31Å; L319-I323 HydrophobicContact CG-CD1 3.87Å; L319-I323 HydrophobicContact CG-CG1 4.46Å; L319-I323 WeakPolarHBondContact O-CB 3.44Å; L319-I323 VanDerWaalsContact O-CG1 3.28Å; L319-I323 WeakPolarHBondContact O-CG1 3.43Å; L319-I323 PolarHBondContact O-N 3.16Å
320L92.8Very high90.8Very high29 Ų2947.4 Ų47.415%0.15225%0.251CS..Hα-helixtrans-66.3-37.4-179.5-175.760.1000112.2L316 H317 R318 R324 F341 L343L316-L320 WeakPolarHBondContact O-CB 3.3Å; L316-L320 PolarHBondContact O-N 3.14Å; L316-L320 VanDerWaalsContact O-N 3.09Å; H317-L320 PolarHBondContact O-N 2.88Å; R318-L320 VanDerWaalsContact C-N 3.34Å; R318-L320 PolarHBondContact O-N 2.91Å; L320-R324 VanDerWaalsContact O-CG 3.25Å; L320-R324 WeakPolarHBondContact O-CG 3.06Å; L320-R324 PolarHBondContact O-N 3.5Å; L320-R324 VanDerWaalsContact O-N 3.11Å; L320-F341 HydrophobicContact CD1-CB 4.02Å; L320-L343 HydrophobicContact CB-CD1 4.42Å; L320-L343 HydrophobicContact CD1-CD1 3.83Å; L320-L343 HydrophobicContact CD2-CD1 4.35Å; L320-L343 HydrophobicContact CG-CD1 4.42Å
321A92.6Very high90.6Very high18 Ų1852.4 Ų52.415%0.14927%0.272CS..Hα-helixtrans-64.9-43174.100000111.5L220 H317 R318 L319 R324 L325L220-A321 HydrophobicContact CB-CB 4.1Å; L220-A321 HydrophobicContact CD2-CB 4.09Å; H317-A321 WeakPolarHBondContact O-CB 3.07Å; H317-A321 PolarHBondContact O-N 3.38Å; R318-A321 PolarHBondContact O-N 3.39Å; L319-A321 VanDerWaalsContact C-N 3.34Å; L319-A321 PolarHBondContact O-N 3.46Å; A321-R324 PolarHBondContact O-N 3.32Å; A321-L325 PolarHBondContact O-N 2.81Å
322E92Very high90.4Very high2 Ų248 Ų481%0.00925%0.25CC..Hα-helixtrans-64.1-44.7177.8-152.373.9-131.300111.5L220 F271 A281 R318 L319 R324 L325 L326L220-E322 VanDerWaalsContact CD1-CD 3.47Å; L220-E322 WeakPolarHBondContact CD1-OE1 3.39Å; L220-E322 WeakPolarHBondContact CD1-OE2 3.31Å; F271-E322 HydrophobicContact CD1-CB 4.43Å; F271-E322 HydrophobicContact CD1-CG 4.23Å; A281-E322 HydrophobicContact CB-CB 3.69Å; A281-E322 HydrophobicContact CB-CG 3.56Å; R318-E322 IonicContact CZ-OE2 2.81Å; R318-E322 IonicContact NE-OE2 2.66Å; R318-E322 PolarHBondContact NE-OE2 3.05Å; R318-E322 IonicContact NH2-OE2 3.18Å; R318-E322 PolarHBondContact NH2-OE2 3.01Å; R318-E322 WeakPolarHBondContact O-CB 3.11Å; R318-E322 PolarHBondContact O-N 3.17Å; L319-E322 PolarHBondContact O-N 3.46Å; E322-R324 VanDerWaalsContact C-N 3.32Å; E322-R324 PolarHBondContact O-N 3.49Å; E322-L325 PolarHBondContact O-N 3.05Å; E322-L326 HydrophobicContact CG-CD1 4.46Å; E322-L326 WeakPolarHBondContact O-CB 3.49Å; E322-L326 VanDerWaalsContact O-CG 3.31Å; E322-L326 WeakPolarHBondContact O-CG 3.47Å; E322-L326 PolarHBondContact O-N 3.47Å
323I92.1Very high90.1Very high0 Ų054.8 Ų54.80%027%0.274CS..Hα-helixtrans-58.4-45.3175.3-72.1168.7000110.4A281 V284 L285 L303 L319 L325 L326 V327 F341A281-I323 HydrophobicContact CB-CG1 4.26Å; V284-I323 HydrophobicContact CB-CD1 4.37Å; V284-I323 HydrophobicContact CG1-CD1 4.08Å; V284-I323 HydrophobicContact CG2-CD1 4.49Å; L285-I323 HydrophobicContact CD2-CG2 4.22Å; L303-I323 HydrophobicContact CD2-CD1 4Å; L319-I323 HydrophobicContact CD1-CD1 4.32Å; L319-I323 HydrophobicContact CD2-CD1 4.31Å; L319-I323 HydrophobicContact CG-CD1 3.87Å; L319-I323 HydrophobicContact CG-CG1 4.46Å; L319-I323 WeakPolarHBondContact O-CB 3.44Å; L319-I323 VanDerWaalsContact O-CG1 3.28Å; L319-I323 WeakPolarHBondContact O-CG1 3.43Å; L319-I323 PolarHBondContact O-N 3.16Å; I323-L325 VanDerWaalsContact C-N 3.34Å; I323-L325 PolarHBondContact O-N 2.77Å; I323-L326 PolarHBondContact O-N 2.85Å; I323-V327 HydrophobicContact CG2-CG2 4.18Å; I323-V327 WeakPolarHBondContact O-CB 3.45Å; I323-V327 WeakPolarHBondContact O-CG2 3.45Å; I323-V327 PolarHBondContact O-N 3.41Å; I323-F341 HydrophobicContact CG2-CD1 3.87Å; I323-F341 HydrophobicContact CG2-CD2 3.93Å; I323-F341 HydrophobicContact CG2-CE1 3.93Å; I323-F341 HydrophobicContact CG2-CE2 4.02Å; I323-F341 HydrophobicContact CG2-CG 3.86Å; I323-F341 HydrophobicContact CG2-CZ 4Å
324R91Very high89.7Confident139 Ų13958 Ų5853%0.52529%0.287SS..Hα-helixtrans-61.6-42178.9-74168.8-179165.9-0112L320 A321 E322L320-R324 VanDerWaalsContact O-CG 3.25Å; L320-R324 WeakPolarHBondContact O-CG 3.06Å; L320-R324 PolarHBondContact O-N 3.5Å; L320-R324 VanDerWaalsContact O-N 3.11Å; A321-R324 PolarHBondContact O-N 3.32Å; E322-R324 VanDerWaalsContact C-N 3.32Å; E322-R324 PolarHBondContact O-N 3.49Å
325L90.8Very high89.3Confident67 Ų6757.4 Ų57.435%0.35128%0.279SS..Hα-helixtrans-63.7-46.1175.5-178.968.1000111.4L220 A321 E322 I323 V327 E328L220-L325 HydrophobicContact CD1-CD2 4.05Å; L220-L325 HydrophobicContact CD2-CB 4.38Å; L220-L325 HydrophobicContact CD2-CD2 4.28Å; A321-L325 PolarHBondContact O-N 2.81Å; E322-L325 PolarHBondContact O-N 3.05Å; I323-L325 VanDerWaalsContact C-N 3.34Å; I323-L325 PolarHBondContact O-N 2.77Å; L325-V327 VanDerWaalsContact C-N 3.34Å; L325-V327 PolarHBondContact O-N 3Å; L325-E328 PolarHBondContact O-N 3.08Å
326L89.8Confident88.7Confident2 Ų257.7 Ų57.71%0.0128%0.28CS..Hα-helixtrans-66.5-34.8-178.2-71.5175.1000112.6A281 L285 E322 I323 E328 K329 Y332A281-L326 HydrophobicContact CB-CD1 3.7Å; L285-L326 HydrophobicContact CD1-CB 3.37Å; L285-L326 HydrophobicContact CD1-CD1 4.21Å; L285-L326 HydrophobicContact CD1-CG 4.44Å; E322-L326 HydrophobicContact CG-CD1 4.46Å; E322-L326 WeakPolarHBondContact O-CB 3.49Å; E322-L326 VanDerWaalsContact O-CG 3.31Å; E322-L326 WeakPolarHBondContact O-CG 3.47Å; E322-L326 PolarHBondContact O-N 3.47Å; I323-L326 PolarHBondContact O-N 2.85Å; L326-E328 PolarHBondContact O-N 3.12Å; L326-K329 HydrophobicContact CD2-CD 3.89Å; L326-K329 VanDerWaalsContact O-CB 3.3Å; L326-K329 WeakPolarHBondContact O-CB 3.48Å; L326-K329 PolarHBondContact O-N 2.92Å; L326-Y332 VanDerWaalsContact O-CD2 3.24Å; L326-Y332 WeakPolarHBondContact O-CD2 3.47Å
327V90.1Very high87.6Confident8 Ų859.4 Ų59.45%0.04831%0.305CS..Hα-helixtrans-61.6-24.8176.81700000112.3L285 I323 L325 K329 K339 F341L285-V327 HydrophobicContact CD1-CG2 4.14Å; L285-V327 HydrophobicContact CD2-CG2 3.64Å; I323-V327 HydrophobicContact CG2-CG2 4.18Å; I323-V327 WeakPolarHBondContact O-CB 3.45Å; I323-V327 WeakPolarHBondContact O-CG2 3.45Å; I323-V327 PolarHBondContact O-N 3.41Å; L325-V327 VanDerWaalsContact C-N 3.34Å; L325-V327 PolarHBondContact O-N 3Å; V327-K329 VanDerWaalsContact C-N 3.35Å; V327-K339 HydrophobicContact CG1-CG 4.27Å; V327-F341 HydrophobicContact CB-CE2 4.47Å; V327-F341 HydrophobicContact CG1-CE2 4.41Å; V327-F341 HydrophobicContact CG2-CD2 4.43Å; V327-F341 HydrophobicContact CG2-CE2 3.41Å; V327-F341 VanDerWaalsContact CG2-CE2 3.41Å; V327-F341 HydrophobicContact CG2-CZ 3.64Å
328E88.6Confident86.5Confident137 Ų13755.4 Ų55.464%0.6429%0.289SS*.THydrogen-bonded Turntrans-78-18.6176.3-64.4-178.4171.900113.4L325 L326L325-E328 PolarHBondContact O-N 3.08Å; L326-E328 PolarHBondContact O-N 3.12Å
329K87.6Confident85.4Confident63 Ų6362.3 Ų62.327%0.27432%0.318SS..SBendtrans-62.4144.2176.1-70.6-172.3170.2-170.30110.7L326 V327 K331 Y332 R333L326-K329 HydrophobicContact CD2-CD 3.89Å; L326-K329 VanDerWaalsContact O-CB 3.3Å; L326-K329 WeakPolarHBondContact O-CB 3.48Å; L326-K329 PolarHBondContact O-N 2.92Å; V327-K329 VanDerWaalsContact C-N 3.35Å; K329-K331 VanDerWaalsContact C-N 3.27Å; K329-K331 PolarHBondContact O-N 3.44Å; K329-Y332 HydrophobicContact CB-CD2 4.29Å; K329-Y332 PolarHBondContact O-N 2.92Å; K329-Y332 VanDerWaalsContact O-N 3.07Å; K329-R333 WeakPolarHBondContact O-CB 3.33Å; K329-R333 PolarHBondContact O-N 3.24Å
330P84.8Confident84.8Confident97 Ų9764.7 Ų64.763%0.6334%0.335SS*.Hα-helixtrans-57.1-39.1-17522.1-33.1000112.7Y332 R333 D334P330-Y332 VanDerWaalsContact C-N 3.26Å; P330-Y332 PolarHBondContact O-N 2.83Å; P330-R333 PolarHBondContact O-N 3.44Å; P330-D334 PolarHBondContact O-N 3.32Å
331K86.1Confident84.5Confident111 Ų11164.1 Ų64.148%0.48333%0.332SS..Hα-helixtrans-49.8-45.1176.5-174.8-169.5178.8-158.10112.6D286 K329D286-K331 IonicContact OD1-NZ 3.77Å; D286-K331 PolarHBondContact OD1-NZ 2.86Å; K329-K331 VanDerWaalsContact C-N 3.27Å; K329-K331 PolarHBondContact O-N 3.44Å
332Y86.3Confident84.4Confident5 Ų569.2 Ų69.22%0.0235%0.347CS..Hα-helixtrans-94.1-31.6-175.3-60.9-66.9000112.3L285 D286 V289 L326 K329 P330 D334 A335 L336L285-Y332 HydrophobicContact CB-CD1 3.73Å; L285-Y332 HydrophobicContact CB-CE1 3.55Å; L285-Y332 HydrophobicContact CB-CG 4.37Å; L285-Y332 HydrophobicContact CD1-CD1 4.26Å; L285-Y332 HydrophobicContact CD1-CD2 4Å; L285-Y332 HydrophobicContact CD1-CE1 4.39Å; L285-Y332 HydrophobicContact CD1-CE2 4.11Å; L285-Y332 HydrophobicContact CD1-CG 4.06Å; D286-Y332 PolarHBondContact OD1-OH 3.06Å; V289-Y332 HydrophobicContact CG2-CD1 4.07Å; V289-Y332 HydrophobicContact CG2-CE1 4.46Å; L326-Y332 VanDerWaalsContact O-CD2 3.24Å; L326-Y332 WeakPolarHBondContact O-CD2 3.47Å; K329-Y332 HydrophobicContact CB-CD2 4.29Å; K329-Y332 PolarHBondContact O-N 2.92Å; K329-Y332 VanDerWaalsContact O-N 3.07Å; P330-Y332 VanDerWaalsContact C-N 3.26Å; P330-Y332 PolarHBondContact O-N 2.83Å; Y332-D334 VanDerWaalsContact C-N 3.29Å; Y332-D334 PolarHBondContact O-N 3.3Å; Y332-A335 PolarHBondContact O-N 3.35Å; Y332-L336 VanDerWaalsContact O-CB 3.31Å; Y332-L336 WeakPolarHBondContact O-CB 3.07Å; Y332-L336 PolarHBondContact O-N 3.24Å
333R84.6Confident84.3Confident164 Ų16471.3 Ų71.362%0.61936%0.358SS*.Hα-helixtrans-58.2-40.5178.8-179.2179.6172179.9-3.1112.6K329 P330K329-R333 WeakPolarHBondContact O-CB 3.33Å; K329-R333 PolarHBondContact O-N 3.24Å; P330-R333 PolarHBondContact O-N 3.44Å
334D82.6Confident84.1Confident141 Ų14174.4 Ų74.475%0.75437%0.372SS*.THydrogen-bonded Turntrans-77.8-28-178.5-63.5-20.3000111.9P330 Y332P330-D334 PolarHBondContact O-N 3.32Å; Y332-D334 VanDerWaalsContact C-N 3.29Å; Y332-D334 PolarHBondContact O-N 3.3Å
335A81.3Confident83.9Confident31 Ų3172.4 Ų72.426%0.25638%0.38SS..THydrogen-bonded Turntrans-88.8-29.6-178.500000113.8V289 R296 Y332V289-A335 HydrophobicContact CG1-CB 4.29Å; V289-A335 HydrophobicContact CG2-CB 3.94Å; R296-A335 PolarHBondContact NH1-O 3.4Å; Y332-A335 PolarHBondContact O-N 3.35Å
336L79.1Confident83.7Confident8 Ų870.2 Ų70.24%0.04237%0.37CS..  trans-113102.1-174.1-60.6176.8000110.5L285 L288 V289 Y332 T338L285-L336 HydrophobicContact CD2-CD1 3.76Å; L288-L336 HydrophobicContact CB-CD2 4.39Å; L288-L336 HydrophobicContact CD2-CD1 4.17Å; L288-L336 HydrophobicContact CD2-CD2 3.67Å; L288-L336 HydrophobicContact CG-CD2 3.86Å; V289-L336 HydrophobicContact CG2-CD2 4.19Å; V289-L336 HydrophobicContact CG2-CG 4.26Å; Y332-L336 VanDerWaalsContact O-CB 3.31Å; Y332-L336 WeakPolarHBondContact O-CB 3.07Å; Y332-L336 PolarHBondContact O-N 3.24Å; L336-T338 VanDerWaalsContact C-N 3.26Å; L336-T338 PolarHBondContact O-N 2.94Å
337A68.6Low83.5Confident108 Ų10874.8 Ų74.889%0.89340%0.399SS*.  trans-71.2-21.4173.500000113.2
338T69.1Low83.4Confident33 Ų3375.4 Ų75.420%0.20241%0.405CS..  trans-101.1130.7-175.5-56.70000110.9K297 L336 S340K297-T338 HydrophobicContact CG-CG2 4.25Å; L336-T338 VanDerWaalsContact C-N 3.26Å; L336-T338 PolarHBondContact O-N 2.94Å; T338-S340 VanDerWaalsContact CG2-OG 3.29Å; T338-S340 WeakPolarHBondContact CG2-OG 3.45Å
339K69.9Low83.5Confident145 Ų14576 Ų7663%0.6341%0.406SS*.  trans-110.10.9179.6-61.2-172.9177-170.10114.2V327 F341V327-K339 HydrophobicContact CG1-CG 4.27Å; K339-F341 PolarHBondContact O-N 3.28Å
340S81.3Confident83.7Confident50 Ų5074.3 Ų74.335%0.3540%0.401SS..  trans-89.6101.9-177.353.90000111S300 T338S300-S340 CarbonylContact C-O 3.5Å; T338-S340 VanDerWaalsContact CG2-OG 3.29Å; T338-S340 WeakPolarHBondContact CG2-OG 3.45Å
341F86.8Confident84Confident18 Ų1871.6 Ų71.68%0.07938%0.381CS..  trans-102118.7170.5-64-90.4000109.4L285 L288 S300 L320 I323 V327 K339L285-F341 HydrophobicContact CD2-CE1 4.05Å; L285-F341 HydrophobicContact CD2-CZ 3.73Å; L288-F341 HydrophobicContact CD2-CE1 4.16Å; L288-F341 HydrophobicContact CD2-CZ 4.41Å; S300-F341 WeakPolarHBondContact O-CA 3.36Å; L320-F341 HydrophobicContact CD1-CB 4.02Å; I323-F341 HydrophobicContact CG2-CD1 3.87Å; I323-F341 HydrophobicContact CG2-CD2 3.93Å; I323-F341 HydrophobicContact CG2-CE1 3.93Å; I323-F341 HydrophobicContact CG2-CE2 4.02Å; I323-F341 HydrophobicContact CG2-CG 3.86Å; I323-F341 HydrophobicContact CG2-CZ 4Å; V327-F341 HydrophobicContact CB-CE2 4.47Å; V327-F341 HydrophobicContact CG1-CE2 4.41Å; V327-F341 HydrophobicContact CG2-CD2 4.43Å; V327-F341 HydrophobicContact CG2-CE2 3.41Å; V327-F341 VanDerWaalsContact CG2-CE2 3.41Å; V327-F341 HydrophobicContact CG2-CZ 3.64Å; K339-F341 PolarHBondContact O-N 3.28Å
342R89.5Confident84.3Confident124 Ų12467.1 Ų67.147%0.46836%0.364SS..  trans-118.5129.4172.8-47.5-177.6-71-138.4-3.3109.7S300 E301 L303S300-R342 PolarHBondContact O-N 2.88Å; E301-R342 VanDerWaalsContact O-CB 3.31Å; E301-R342 WeakPolarHBondContact O-CB 3.31Å; E301-R342 PolarHBondContact O-NE 3.47Å; E301-R342 IonicContact OE2-CZ 3.13Å; E301-R342 IonicContact OE2-NH1 3.35Å; E301-R342 IonicContact OE2-NH2 2.88Å; E301-R342 PolarHBondContact OE2-NH2 2.88Å; L303-R342 WeakPolarHBondContact CB-O 2.86Å; L303-R342 PolarHBondContact N-O 2.95Å
343L90.1Very high84.6Confident47 Ų4766.9 Ų66.925%0.24636%0.363CS..EExtended strand (participates in β ladder)trans-87.9128.3172.8-88.272.2000109.2L303 I305 L316 L320L303-L343 HydrophobicContact CD2-CD1 3.86Å; L303-L343 HydrophobicContact CD2-CG 4.34Å; L303-L343 WeakPolarHBondContact O-CA 3.22Å; I305-L343 HydrophobicContact CD1-CD2 3.42Å; I305-L343 VanDerWaalsContact CD1-CD2 3.42Å; I305-L343 HydrophobicContact CD1-CG 3.9Å; L316-L343 HydrophobicContact CB-CD2 4Å; L316-L343 HydrophobicContact CD2-CD2 3.93Å; L316-L343 HydrophobicContact CG-CD2 4.41Å; L320-L343 HydrophobicContact CB-CD1 4.42Å; L320-L343 HydrophobicContact CD1-CD1 3.83Å; L320-L343 HydrophobicContact CD2-CD1 4.35Å; L320-L343 HydrophobicContact CG-CD1 4.42Å
344H88.8Confident85Confident64 Ų6459.4 Ų59.430%0.29634%0.336SS..EExtended strand (participates in β ladder)trans-96.5121.3168.9-70-93.8000109.2L131 E301 N302 L303 P346L131-H344 HydrophobicContact CD1-CB 4.06Å; L131-H344 HydrophobicContact CD2-CB 4.42Å; E301-H344 PolarHBondContact O-NE2 3.15Å; N302-H344 PolarHBondContact OD1-NE2 3.21Å; L303-H344 PolarHBondContact O-N 3.22Å; H344-P346 WeakPolarHBondContact O-CD 3.48Å
345S86.5Confident85.6Confident97 Ų9752.7 Ų52.768%0.67830%0.3SS*.PPolyproline II helixtrans-80.1123.4174.5-59.30000109.8
346P85.9Confident86.2Confident22 Ų2252 Ų5214%0.14329%0.293CS..PPolyproline II helixtrans-67.2156.717527.2-32.4000111.9L131 H344 A348 T353L131-P346 HydrophobicContact CD2-CB 4.45Å; H344-P346 WeakPolarHBondContact O-CD 3.48Å; P346-A348 VanDerWaalsContact C-N 3.3Å; P346-A348 PolarHBondContact O-N 3.38Å; P346-T353 HydrophobicContact CB-CG2 3.49Å; P346-T353 VanDerWaalsContact CB-CG2 3.49Å; P346-T353 WeakPolarHBondContact CB-OG1 3.49Å; P346-T353 HydrophobicContact CG-CG2 4Å; P346-T353 VanDerWaalsContact CG-OG1 3.3Å; P346-T353 WeakPolarHBondContact CG-OG1 3.47Å
347P86Confident86.8Confident97 Ų9751.7 Ų51.763%0.6329%0.291SS*.SBendtrans-67.7-30.8178.426-33.8000112.7L356P347-L356 HydrophobicContact CG-CD2 3.78Å
348A88.6Confident87.9Confident22 Ų2246.5 Ų46.518%0.18225%0.248CC..SBendtrans-92.4168.8173.400000111.7P346 C352 L356P346-A348 VanDerWaalsContact C-N 3.3Å; P346-A348 PolarHBondContact O-N 3.38Å; A348-C352 HydrophobicContact CB-CB 4.44Å; A348-L356 HydrophobicContact CB-CB 4.32Å; A348-L356 HydrophobicContact CB-CD2 3.73Å
349K90.9Very high89Confident148 Ų14845 Ų4564%0.64324%0.239SC*.  trans-57.7145.2168.1-63.3-64.4-175.31790110M311 N351 C352 T353M311-K349 HydrophobicContact CE-CB 4.48Å; K349-N351 PolarHBondContact O-N 3.28Å; K349-N351 VanDerWaalsContact O-N 3.11Å; K349-C352 PolarHBondContact O-N 3.29Å; K349-T353 PolarHBondContact O-N 3.43Å; K349-T353 PolarHBondContact O-OG1 3.04Å
350P90.4Very high90Very high28 Ų2841.2 Ų41.218%0.18223%0.225CC..G310 helixtrans-50.5-40.5-177.2-30.635.7000114.3G307 A310 M311 C352 T353G307-P350 PolarHBondContact N-O 2.83Å; A310-P350 HydrophobicContact CB-CB 4.36Å; M311-P350 HydrophobicContact CG-CB 4.31Å; M311-P350 HydrophobicContact CG-CG 4.42Å; P350-C352 VanDerWaalsContact C-N 3.33Å; P350-C352 PolarHBondContact O-N 3.21Å; P350-T353 WeakPolarHBondContact CA-OG1 3.2Å; P350-T353 PolarHBondContact O-N 3.05Å; P350-T353 PolarHBondContact O-OG1 2.94Å
351N91.3Very high90.3Very high40 Ų4039.6 Ų39.621%0.21421%0.211CC..G310 helixtrans-64.4-32.2177.6-174.224.1000113.5K26 G307 M311 K349K26-N351 VanDerWaalsContact CE-CG 3.46Å; K26-N351 WeakPolarHBondContact CE-O 3.23Å; K26-N351 WeakPolarHBondContact CE-OD1 3.41Å; K26-N351 PolarHBondContact NZ-O 3.41Å; K26-N351 PolarHBondContact NZ-OD1 3.02Å; K26-N351 VanDerWaalsContact NZ-OD1 3.16Å; G307-N351 PolarHBondContact O-N 3.5Å; M311-N351 HydrophobicContact CG-CB 4.33Å; M311-N351 HydrophobicContact SD-CB 3.39Å; M311-N351 WeakPolarHBondContact SD-CB 3.4Å; K349-N351 PolarHBondContact O-N 3.28Å; K349-N351 VanDerWaalsContact O-N 3.11Å
352C92.8Very high90.2Very high18 Ų1839 Ų3912%0.12221%0.21CC..G310 helixtrans-96.40.7-177.9-62.90000113.4P35 A348 K349 P350 W355 L356P35-C352 HydrophobicContact CG-CB 4.48Å; A348-C352 HydrophobicContact CB-CB 4.44Å; K349-C352 PolarHBondContact O-N 3.29Å; P350-C352 VanDerWaalsContact C-N 3.33Å; P350-C352 PolarHBondContact O-N 3.21Å; C352-W355 PolarHBondContact O-N 2.8Å; C352-L356 PolarHBondContact O-N 3.27Å
353T93.2Very high90.1Very high0 Ų035.4 Ų35.40%021%0.207CC..Hα-helixtrans-67.5-42.5-171.9-62.10000111.9A127 S130 I306 P346 K349 P350 W355 L356 G357A127-T353 HydrophobicContact CB-CG2 4.11Å; S130-T353 WeakPolarHBondContact OG-CG2 3.46Å; I306-T353 HydrophobicContact CG2-CG2 3.78Å; P346-T353 HydrophobicContact CB-CG2 3.49Å; P346-T353 VanDerWaalsContact CB-CG2 3.49Å; P346-T353 WeakPolarHBondContact CB-OG1 3.49Å; P346-T353 HydrophobicContact CG-CG2 4Å; P346-T353 VanDerWaalsContact CG-OG1 3.3Å; P346-T353 WeakPolarHBondContact CG-OG1 3.47Å; K349-T353 PolarHBondContact O-N 3.43Å; K349-T353 PolarHBondContact O-OG1 3.04Å; P350-T353 WeakPolarHBondContact CA-OG1 3.2Å; P350-T353 PolarHBondContact O-N 3.05Å; P350-T353 PolarHBondContact O-OG1 2.94Å; T353-W355 VanDerWaalsContact C-N 3.33Å; T353-W355 PolarHBondContact O-N 3.3Å; T353-L356 PolarHBondContact O-N 3.17Å; T353-G357 PolarHBondContact O-N 2.98Å
354A92.9Very high89.7Confident6 Ų637 Ų375%0.0522%0.215CC..Hα-helixtrans-59.4-45.8173.700000111.2I92 S123 M126 L356 G357 G358I92-A354 WeakPolarHBondContact CD1-O 3.5Å; I92-A354 HydrophobicContact CG2-CB 4.32Å; S123-A354 VanDerWaalsContact OG-CB 3.3Å; S123-A354 WeakPolarHBondContact OG-CB 3.44Å; M126-A354 WeakPolarHBondContact CB-O 3.34Å; A354-L356 PolarHBondContact O-N 2.87Å; A354-G357 PolarHBondContact O-N 2.77Å; A354-G358 PolarHBondContact O-N 2.72Å
355W95.1Very high88.5Confident0 Ų038.9 Ų38.90%022%0.224CC..Hα-helixtrans-59.1-46.5177-173.491.6000112.7V17 D19 K26 E32 G34 P35 I92 C352 T353 G357 G358 A359V17-W355 HydrophobicContact CB-CZ2 4.19Å; V17-W355 HydrophobicContact CG1-CG 4.49Å; V17-W355 PolarHBondContact O-NE1 3.22Å; D19-W355 HydrophobicContact CB-CB 4.24Å; D19-W355 HydrophobicContact CB-CG 4.47Å; K26-W355 HydrophobicContact CB-CB 4.5Å; K26-W355 HydrophobicContact CB-CG 4.2Å; K26-W355 HydrophobicContact CD-CB 4.37Å; E32-W355 HydrophobicContact CB-CH2 4.19Å; G34-W355 VanDerWaalsContact CA-CZ3 3.43Å; G34-W355 WeakPolarHBondContact O-CH2 3.46Å; G34-W355 VanDerWaalsContact O-CZ3 3.31Å; G34-W355 WeakPolarHBondContact O-CZ3 3.41Å; P35-W355 HydrophobicContact CB-CD2 3.75Å; P35-W355 HydrophobicContact CB-CE3 4.09Å; P35-W355 HydrophobicContact CB-CG 4.19Å; P35-W355 HydrophobicContact CB-CH2 4.47Å; P35-W355 HydrophobicContact CB-CZ2 4.16Å; P35-W355 HydrophobicContact CB-CZ3 4.46Å; P35-W355 HydrophobicContact CG-CD2 4.28Å; P35-W355 HydrophobicContact CG-CE3 4.32Å; I92-W355 VanDerWaalsContact CD1-CA 3.48Å; I92-W355 HydrophobicContact CD1-CB 4.4Å; C352-W355 PolarHBondContact O-N 2.8Å; T353-W355 VanDerWaalsContact C-N 3.33Å; T353-W355 PolarHBondContact O-N 3.3Å; W355-G357 VanDerWaalsContact C-N 3.29Å; W355-G357 PolarHBondContact O-N 3.24Å; W355-G358 PolarHBondContact O-N 3.26Å; W355-G358 VanDerWaalsContact O-N 3.12Å; W355-A359 HydrophobicContact CE3-CB 4.18Å; W355-A359 HydrophobicContact CH2-CB 3.82Å; W355-A359 HydrophobicContact CZ2-CB 4.38Å; W355-A359 HydrophobicContact CZ3-CB 3.68Å; W355-A359 PolarHBondContact O-N 2.63Å
356L93.9Very high87.5Confident18 Ų1841.1 Ų41.19%0.09423%0.229CC..Hα-helixtrans-60.4-41.6177.7176.962.6000111.4P347 A348 C352 T353 A354 G358 A359 I360P347-L356 HydrophobicContact CG-CD2 3.78Å; A348-L356 HydrophobicContact CB-CB 4.32Å; A348-L356 HydrophobicContact CB-CD2 3.73Å; C352-L356 PolarHBondContact O-N 3.27Å; T353-L356 PolarHBondContact O-N 3.17Å; A354-L356 PolarHBondContact O-N 2.87Å; L356-G358 VanDerWaalsContact C-N 3.33Å; L356-G358 PolarHBondContact O-N 3.32Å; L356-A359 WeakPolarHBondContact O-CB 3.49Å; L356-A359 PolarHBondContact O-N 3.04Å; L356-A359 VanDerWaalsContact O-N 3.15Å; L356-I360 HydrophobicContact CD1-CD1 4.39Å; L356-I360 HydrophobicContact CD1-CG1 4.48Å; L356-I360 HydrophobicContact CG-CD1 4.15Å; L356-I360 WeakPolarHBondContact O-CG1 3.38Å; L356-I360 PolarHBondContact O-N 3.21Å
357G92.1Very high86.4Confident0 Ų041.9 Ų41.90%023%0.232CC..Hα-helixtrans-56.6-45.6173.500000112.8M126 T353 A354 W355 A359 I360 F361M126-G357 WeakPolarHBondContact O-CA 3.44Å; T353-G357 PolarHBondContact O-N 2.98Å; A354-G357 PolarHBondContact O-N 2.77Å; W355-G357 VanDerWaalsContact C-N 3.29Å; W355-G357 PolarHBondContact O-N 3.24Å; G357-A359 VanDerWaalsContact C-N 3.34Å; G357-A359 PolarHBondContact O-N 2.81Å; G357-I360 PolarHBondContact O-N 3.1Å; G357-F361 VanDerWaalsContact O-CB 3.29Å; G357-F361 WeakPolarHBondContact O-CB 3.46Å; G357-F361 PolarHBondContact O-N 3.02Å
358G91.2Very high85.2Confident0 Ų037.8 Ų37.80%020%0.204CC..Hα-helixtrans-68-30.4175.100000113.8A354 W355 L356 F361 G362A354-G358 PolarHBondContact O-N 2.72Å; W355-G358 PolarHBondContact O-N 3.26Å; W355-G358 VanDerWaalsContact O-N 3.12Å; L356-G358 VanDerWaalsContact C-N 3.33Å; L356-G358 PolarHBondContact O-N 3.32Å; G358-F361 PolarHBondContact O-N 3.33Å; G358-G362 PolarHBondContact O-N 3.21Å
359A92.3Very high84Confident1 Ų139.3 Ų39.31%0.00822%0.222CC..Hα-helixtrans-67.9-39172.900000112.8V17 G31 W355 L356 G357 A363V17-A359 HydrophobicContact CG2-CB 4.5Å; G31-A359 PolarHBondContact N-O 3.45Å; W355-A359 HydrophobicContact CE3-CB 4.18Å; W355-A359 HydrophobicContact CH2-CB 3.82Å; W355-A359 HydrophobicContact CZ2-CB 4.38Å; W355-A359 HydrophobicContact CZ3-CB 3.68Å; W355-A359 PolarHBondContact O-N 2.63Å; L356-A359 WeakPolarHBondContact O-CB 3.49Å; L356-A359 PolarHBondContact O-N 3.04Å; L356-A359 VanDerWaalsContact O-N 3.15Å; G357-A359 VanDerWaalsContact C-N 3.34Å; G357-A359 PolarHBondContact O-N 2.81Å; A359-A363 WeakPolarHBondContact O-CB 3.41Å; A359-A363 PolarHBondContact O-N 3.35Å
360I90.8Very high82.9Confident65 Ų6533.8 Ų33.833%0.33320%0.202SC..Hα-helixtrans-66.8-48.2171.6-65.5164.1000109.4L356 G357 G362 A363 L364L356-I360 HydrophobicContact CD1-CD1 4.39Å; L356-I360 HydrophobicContact CD1-CG1 4.48Å; L356-I360 HydrophobicContact CG-CD1 4.15Å; L356-I360 WeakPolarHBondContact O-CG1 3.38Å; L356-I360 PolarHBondContact O-N 3.21Å; G357-I360 PolarHBondContact O-N 3.1Å; I360-G362 VanDerWaalsContact C-N 3.33Å; I360-G362 PolarHBondContact O-N 3.3Å; I360-A363 WeakPolarHBondContact O-CB 3.25Å; I360-A363 PolarHBondContact O-N 2.95Å; I360-L364 WeakPolarHBondContact O-CG 3.5Å; I360-L364 PolarHBondContact O-N 2.66Å
361F87.4Confident82.2Confident16 Ų1639.2 Ų39.27%0.0722%0.219CC..Hα-helixtrans-61.5-40.6-178.7-162.7-106.2000112.5L119 M126 G357 G358 A363 L364 I367L119-F361 HydrophobicContact CD2-CD1 3.66Å; L119-F361 HydrophobicContact CD2-CE1 3.43Å; L119-F361 VanDerWaalsContact CD2-CE1 3.43Å; L119-F361 HydrophobicContact CG-CE1 4.47Å; M126-F361 HydrophobicContact CE-CB 4.4Å; M126-F361 HydrophobicContact CE-CD1 4.25Å; M126-F361 HydrophobicContact CE-CD2 3.92Å; M126-F361 HydrophobicContact CE-CE1 4.44Å; M126-F361 HydrophobicContact CE-CE2 4.13Å; M126-F361 HydrophobicContact CE-CG 3.96Å; M126-F361 HydrophobicContact CE-CZ 4.37Å; M126-F361 HydrophobicContact SD-CB 3.67Å; M126-F361 HydrophobicContact SD-CD1 4.16Å; M126-F361 HydrophobicContact SD-CD2 4.3Å; M126-F361 HydrophobicContact SD-CG 3.83Å; G357-F361 VanDerWaalsContact O-CB 3.29Å; G357-F361 WeakPolarHBondContact O-CB 3.46Å; G357-F361 PolarHBondContact O-N 3.02Å; G358-F361 PolarHBondContact O-N 3.33Å; F361-A363 VanDerWaalsContact C-N 3.29Å; F361-A363 PolarHBondContact O-N 3.09Å; F361-L364 PolarHBondContact O-N 2.85Å; F361-I367 HydrophobicContact CD1-CG2 4.11Å; F361-I367 HydrophobicContact CD2-CD1 4.14Å; F361-I367 HydrophobicContact CD2-CG2 4.22Å; F361-I367 HydrophobicContact CE1-CG2 3.47Å; F361-I367 VanDerWaalsContact CE1-CG2 3.47Å; F361-I367 HydrophobicContact CE2-CD1 3.93Å; F361-I367 HydrophobicContact CE2-CG2 3.6Å; F361-I367 HydrophobicContact CG-CG2 4.46Å; F361-I367 HydrophobicContact CZ-CG2 3.19Å
362G85.4Confident81.9Confident5 Ų538.3 Ų38.35%0.05222%0.216CC..Hα-helixtrans-74.5-13.8175.100000114.4A30 G358 I360 L368A30-G362 VanDerWaalsContact CB-C 3.44Å; A30-G362 WeakPolarHBondContact CB-O 3.33Å; G358-G362 PolarHBondContact O-N 3.21Å; I360-G362 VanDerWaalsContact C-N 3.33Å; I360-G362 PolarHBondContact O-N 3.3Å; G362-L368 WeakPolarHBondContact O-CD1 3.24Å
363A86.5Confident81.6Confident50 Ų5038 Ų3841%0.41321%0.213SC..Hα-helixtrans-83-21.7173.300000111.8A359 I360 F361 Q365A359-A363 WeakPolarHBondContact O-CB 3.41Å; A359-A363 PolarHBondContact O-N 3.35Å; I360-A363 WeakPolarHBondContact O-CB 3.25Å; I360-A363 PolarHBondContact O-N 2.95Å; F361-A363 VanDerWaalsContact C-N 3.29Å; F361-A363 PolarHBondContact O-N 3.09Å; A363-Q365 PolarHBondContact O-N 3.44Å
364L82.4Confident81.5Confident79 Ų7940.3 Ų40.341%0.41423%0.23SC..  trans-80.3100.7179.7-62.5170.8000110.1I360 F361 D366 I367 L368I360-L364 WeakPolarHBondContact O-CG 3.5Å; I360-L364 PolarHBondContact O-N 2.66Å; F361-L364 PolarHBondContact O-N 2.85Å; L364-D366 PolarHBondContact O-N 3.35Å; L364-I367 HydrophobicContact CB-CB 4.4Å; L364-I367 HydrophobicContact CB-CD1 3.84Å; L364-I367 HydrophobicContact CB-CG1 4.12Å; L364-I367 HydrophobicContact CD1-CD1 3.64Å; L364-I367 HydrophobicContact CG-CD1 4.39Å; L364-I367 PolarHBondContact O-N 2.87Å; L364-L368 PolarHBondContact O-N 2.93Å
365Q63.5Low81.3Confident104 Ų10444.3 Ų44.349%0.48624%0.243SC..Hα-helixtrans-60.1-39.4-172.7-70.7-174.3-1800113.8A363 I367 L368 G369A363-Q365 PolarHBondContact O-N 3.44Å; Q365-I367 PolarHBondContact O-N 2.97Å; Q365-L368 PolarHBondContact O-N 3.05Å; Q365-G369 PolarHBondContact O-N 3.02Å
366D63.9Low80.9Confident145 Ų14549 Ų4978%0.77527%0.268SS*.Hα-helixtrans-60.9-33.1-179.3-63.5-29000112.7L364 S370L364-D366 PolarHBondContact O-N 3.35Å; D366-S370 WeakPolarHBondContact O-CB 3.37Å; D366-S370 PolarHBondContact O-N 2.94Å; D366-S370 PolarHBondContact O-OG 3.07Å
367I63.4Low80.6Confident38 Ų3851.5 Ų51.520%0.19528%0.277CS..Hα-helixtrans-80-44.3-176.5-59.8-178.2000110.2F361 L364 Q365 G369 S370 R371F361-I367 HydrophobicContact CD1-CG2 4.11Å; F361-I367 HydrophobicContact CD2-CD1 4.14Å; F361-I367 HydrophobicContact CD2-CG2 4.22Å; F361-I367 HydrophobicContact CE1-CG2 3.47Å; F361-I367 VanDerWaalsContact CE1-CG2 3.47Å; F361-I367 HydrophobicContact CE2-CD1 3.93Å; F361-I367 HydrophobicContact CE2-CG2 3.6Å; F361-I367 HydrophobicContact CG-CG2 4.46Å; F361-I367 HydrophobicContact CZ-CG2 3.19Å; L364-I367 HydrophobicContact CB-CB 4.4Å; L364-I367 HydrophobicContact CB-CD1 3.84Å; L364-I367 HydrophobicContact CB-CG1 4.12Å; L364-I367 HydrophobicContact CD1-CD1 3.64Å; L364-I367 HydrophobicContact CG-CD1 4.39Å; L364-I367 PolarHBondContact O-N 2.87Å; Q365-I367 PolarHBondContact O-N 2.97Å; I367-G369 VanDerWaalsContact C-N 3.3Å; I367-G369 PolarHBondContact O-N 3.17Å; I367-S370 PolarHBondContact O-N 3.49Å; I367-S370 PolarHBondContact O-OG 3.44Å; I367-R371 WeakPolarHBondContact O-CB 3.46Å; I367-R371 PolarHBondContact O-N 3.26Å
368L61.8Low80.4Confident10 Ų1052.2 Ų52.25%0.05228%0.28CS..Hα-helixtrans-63.5-36.3176.4-75.2-174.7000112.3A15 V90 L119 G362 L364 Q365 S372A15-L368 HydrophobicContact CB-CD1 3.9Å; V90-L368 HydrophobicContact CG2-CD2 3.67Å; L119-L368 HydrophobicContact CD2-CD2 3.8Å; G362-L368 WeakPolarHBondContact O-CD1 3.24Å; L364-L368 PolarHBondContact O-N 2.93Å; Q365-L368 PolarHBondContact O-N 3.05Å; L368-S372 WeakPolarHBondContact O-CB 3.3Å; L368-S372 PolarHBondContact O-OG 3.36Å
369G61.9Low80.3Confident55 Ų5556.2 Ų56.257%0.56730%0.302SS*.Hα-helixtrans-69-36.6178.400000113.8Q365 I367Q365-G369 PolarHBondContact O-N 3.02Å; I367-G369 VanDerWaalsContact C-N 3.3Å; I367-G369 PolarHBondContact O-N 3.17Å
370S68.8Low80.1Confident32 Ų3264 Ų6422%0.22434%0.337CS..Hα-helixtrans-95.2-35.4-171.655.40000114.5D366 I367D366-S370 WeakPolarHBondContact O-CB 3.37Å; D366-S370 PolarHBondContact O-N 2.94Å; D366-S370 PolarHBondContact O-OG 3.07Å; I367-S370 PolarHBondContact O-N 3.49Å; I367-S370 PolarHBondContact O-OG 3.44Å
371R76.5Confident79.7Confident141 Ų14164 Ų6453%0.53234%0.341SS..Hα-helixtrans-104.7-14.5-172-60.9-169.9179.5-166.7-1114.7L119 I367L119-R371 HydrophobicContact CD1-CB 4.42Å; I367-R371 WeakPolarHBondContact O-CB 3.46Å; I367-R371 PolarHBondContact O-N 3.26Å
372S83.8Confident79.4Confident21 Ų2165.3 Ų65.315%0.14736%0.359CS..SBendtrans-77148.617776.10000111.4S117 L368S117-S372 WeakPolarHBondContact CB-OG 3.37Å; S117-S372 PolarHBondContact OG-OG 3.13Å; S117-S372 VanDerWaalsContact OG-OG 3.08Å; L368-S372 WeakPolarHBondContact O-CB 3.3Å; L368-S372 PolarHBondContact O-OG 3.36Å
373V87.3Confident78.9Confident11 Ų1173.5 Ų73.57%0.06739%0.388CS..EExtended strand (participates in β ladder)trans-87.9122.5175.8-178.60000108.4F110 S117 V118 Y377 I384 P385F110-V373 WeakPolarHBondContact CZ-O 3.43Å; S117-V373 CarbonylContact C-O 3.46Å; S117-V373 VanDerWaalsContact CA-O 3.23Å; S117-V373 WeakPolarHBondContact CA-O 3.35Å; S117-V373 VanDerWaalsContact CB-O 3.32Å; S117-V373 WeakPolarHBondContact CB-O 3.42Å; V118-V373 PolarHBondContact N-O 3.11Å; V118-V373 PolarHBondContact O-N 3.21Å; V373-Y377 HydrophobicContact CG1-CD1 3.67Å; V373-Y377 HydrophobicContact CG1-CE1 4.45Å; V373-Y377 HydrophobicContact CG1-CG 4.4Å; V373-I384 HydrophobicContact CB-CD1 4.37Å; V373-I384 HydrophobicContact CB-CG1 4.48Å; V373-I384 HydrophobicContact CG1-CD1 4.43Å; V373-I384 HydrophobicContact CG1-CG1 4.17Å; V373-I384 HydrophobicContact CG2-CG1 4.41Å; V373-I384 HydrophobicContact CG2-CG2 4.36Å; V373-P385 HydrophobicContact CG2-CG 4.38Å
374S90.1Very high78.5Confident49 Ų4972 Ų7234%0.34337%0.373SS..EExtended strand (participates in β ladder)trans-79.9156.5176.271.60000111.8D376 Y377 Y378S374-D376 VanDerWaalsContact C-N 3.25Å; S374-D376 PolarHBondContact O-N 2.81Å; S374-Y377 PolarHBondContact O-N 3.02Å; S374-Y377 WeakPolarHBondContact OG-CB 3.42Å; S374-Y377 PolarHBondContact OG-N 3.19Å; S374-Y378 PolarHBondContact O-N 3.06Å
375R88.4Confident78Confident90 Ų9070 Ų7034%0.3436%0.364SS..Hα-helixtrans-58-38.5174.7-172.6-18069.3172.80.8112.7F110 E114 P116 Y378 N379F110-R375 HydrophobicContact CD1-CB 3.68Å; F110-R375 HydrophobicContact CD1-CG 3.73Å; F110-R375 VanDerWaalsContact CE1-CA 3.45Å; F110-R375 HydrophobicContact CE1-CB 3.74Å; F110-R375 HydrophobicContact CE1-CG 4.32Å; F110-R375 HydrophobicContact CG-CG 4.38Å; E114-R375 IonicContact OE2-NH1 2.69Å; P116-R375 PolarHBondContact O-N 3.22Å; R375-Y378 PolarHBondContact O-N 3.36Å; R375-N379 PolarHBondContact O-N 2.92Å; R375-N379 PolarHBondContact O-ND2 3.34Å
376D88.3Confident78.4Confident98 Ų9865.7 Ų65.752%0.52435%0.345SS..Hα-helixtrans-68.1-41.1-178.2-60.6-27000111.1S374 Y378 N379 Q380S374-D376 VanDerWaalsContact C-N 3.25Å; S374-D376 PolarHBondContact O-N 2.81Å; D376-Y378 VanDerWaalsContact C-N 3.33Å; D376-Y378 PolarHBondContact O-N 3.21Å; D376-N379 PolarHBondContact O-N 2.84Å; D376-Q380 WeakPolarHBondContact O-CG 3.39Å; D376-Q380 PolarHBondContact O-N 3.44Å
377Y86.8Confident78.5Confident71 Ų7164.2 Ų64.228%0.27833%0.329SS..Hα-helixtrans-60.2-44.9172.4-176.2-90.1000111.4V373 S374 N379 Q380 T381 P395V373-Y377 HydrophobicContact CG1-CD1 3.67Å; V373-Y377 HydrophobicContact CG1-CE1 4.45Å; V373-Y377 HydrophobicContact CG1-CG 4.4Å; S374-Y377 PolarHBondContact O-N 3.02Å; S374-Y377 WeakPolarHBondContact OG-CB 3.42Å; S374-Y377 PolarHBondContact OG-N 3.19Å; Y377-N379 VanDerWaalsContact C-N 3.35Å; Y377-N379 PolarHBondContact O-N 3.25Å; Y377-Q380 PolarHBondContact O-N 2.88Å; Y377-T381 HydrophobicContact CD1-CG2 4.29Å; Y377-T381 HydrophobicContact CD2-CG2 4.47Å; Y377-T381 HydrophobicContact CE1-CG2 3.81Å; Y377-T381 WeakPolarHBondContact CE1-OG1 3.31Å; Y377-T381 HydrophobicContact CE2-CG2 4Å; Y377-T381 PolarHBondContact O-N 3.03Å; Y377-T381 PolarHBondContact O-OG1 2.9Å; Y377-P395 HydrophobicContact CE2-CB 3.9Å
378Y87.9Confident78.2Confident15 Ų1566.2 Ų66.26%0.05935%0.345CS..Hα-helixtrans-64.5-37.1178.6-178.5-105.1000112.8T106 K107 F110 S374 R375 D376 Q380 G382 I384T106-Y378 HydrophobicContact CG2-CD2 3.81Å; T106-Y378 HydrophobicContact CG2-CE1 4.39Å; T106-Y378 HydrophobicContact CG2-CE2 3.49Å; T106-Y378 VanDerWaalsContact CG2-CE2 3.49Å; T106-Y378 HydrophobicContact CG2-CG 4.39Å; K107-Y378 WeakPolarHBondContact CG-OH 3.27Å; F110-Y378 HydrophobicContact CB-CD1 3.85Å; F110-Y378 HydrophobicContact CB-CE1 4.14Å; F110-Y378 AromaticContact CD2-CD1 3.34Å; F110-Y378 HydrophobicContact CD2-CD1 3.34Å; F110-Y378 HydrophobicContact CD2-CD2 4.03Å; F110-Y378 AromaticContact CD2-CE1 3.93Å; F110-Y378 HydrophobicContact CD2-CE1 3.93Å; F110-Y378 AromaticContact CD2-CG 3.39Å; F110-Y378 HydrophobicContact CD2-CG 3.39Å; F110-Y378 HydrophobicContact CE2-CD1 4.11Å; F110-Y378 HydrophobicContact CE2-CD2 4.13Å; F110-Y378 AromaticContact CE2-CG 3.66Å; F110-Y378 HydrophobicContact CE2-CG 3.66Å; F110-Y378 AromaticContact CG-CD1 3.86Å; F110-Y378 HydrophobicContact CG-CD1 3.86Å; F110-Y378 HydrophobicContact CG-CE1 4.48Å; F110-Y378 HydrophobicContact CG-CG 4.26Å; S374-Y378 PolarHBondContact O-N 3.06Å; R375-Y378 PolarHBondContact O-N 3.36Å; D376-Y378 VanDerWaalsContact C-N 3.33Å; D376-Y378 PolarHBondContact O-N 3.21Å; Y378-Q380 VanDerWaalsContact C-N 3.27Å; Y378-Q380 PolarHBondContact O-N 2.91Å; Y378-G382 WeakPolarHBondContact CE2-O 3.39Å; Y378-G382 WeakPolarHBondContact O-CA 3.34Å; Y378-G382 PolarHBondContact O-N 3.36Å; Y378-I384 HydrophobicContact CD2-CG1 4.13Å
379N88.4Confident77.9Confident85 Ų8568.1 Ų68.146%0.45536%0.359SS..Hα-helixtrans-67.5-27.5176.4-76.2-31.9000112.8K111 R375 D376 Y377K111-N379 PolarHBondContact NZ-OD1 3.4Å; R375-N379 PolarHBondContact O-N 2.92Å; R375-N379 PolarHBondContact O-ND2 3.34Å; D376-N379 PolarHBondContact O-N 2.84Å; Y377-N379 VanDerWaalsContact C-N 3.35Å; Y377-N379 PolarHBondContact O-N 3.25Å
380Q88.3Confident77.4Confident163 Ų16373.6 Ų73.676%0.76237%0.374SS*.Hα-helixtrans-83.3-44.1177.6-67.117223.800112.6D376 Y377 Y378D376-Q380 WeakPolarHBondContact O-CG 3.39Å; D376-Q380 PolarHBondContact O-N 3.44Å; Y377-Q380 PolarHBondContact O-N 2.88Å; Y378-Q380 VanDerWaalsContact C-N 3.27Å; Y378-Q380 PolarHBondContact O-N 2.91Å
381T83.5Confident76.2Confident66 Ų6677.4 Ų77.441%0.40540%0.401SS..Hα-helixtrans-93.1-24.9-174.154.90000113.6Y377 R383Y377-T381 HydrophobicContact CD1-CG2 4.29Å; Y377-T381 HydrophobicContact CD2-CG2 4.47Å; Y377-T381 HydrophobicContact CE1-CG2 3.81Å; Y377-T381 WeakPolarHBondContact CE1-OG1 3.31Å; Y377-T381 HydrophobicContact CE2-CG2 4Å; Y377-T381 PolarHBondContact O-N 3.03Å; Y377-T381 PolarHBondContact O-OG1 2.9Å; T381-R383 PolarHBondContact O-N 2.89Å; T381-R383 PolarHBondContact OG1-O 3.3Å
382G79.5Confident74.7Confident43 Ų4372.8 Ų72.844%0.44339%0.39SS..SBendtrans69.51.7-177.600000115.1Y378Y378-G382 WeakPolarHBondContact CE2-O 3.39Å; Y378-G382 WeakPolarHBondContact O-CA 3.34Å; Y378-G382 PolarHBondContact O-N 3.36Å
383R74.8Confident72.9Confident177 Ų17776 Ų7667%0.66841%0.41SS*.SBendtrans-143.5159.7-175.6-67.4-170-178.1-178.1-0.4112.2T381T381-R383 PolarHBondContact O-N 2.89Å; T381-R383 PolarHBondContact OG1-O 3.3Å
384I78.8Confident71.2Confident19 Ų1977.8 Ų77.810%0.09742%0.422CS..  trans-110140.2173.6-73.8-170.3000109.2T106 F110 F120 V373 Y378 D386T106-I384 HydrophobicContact CG2-CD1 3.24Å; T106-I384 HydrophobicContact CG2-CG1 3.82Å; T106-I384 WeakPolarHBondContact OG1-CD1 3.41Å; F110-I384 HydrophobicContact CE2-CD1 4.18Å; F120-I384 HydrophobicContact CD2-CD1 4.18Å; F120-I384 HydrophobicContact CD2-CG2 3.95Å; F120-I384 HydrophobicContact CE2-CD1 3.57Å; F120-I384 HydrophobicContact CE2-CG2 4.19Å; V373-I384 HydrophobicContact CB-CD1 4.37Å; V373-I384 HydrophobicContact CB-CG1 4.48Å; V373-I384 HydrophobicContact CG1-CD1 4.43Å; V373-I384 HydrophobicContact CG1-CG1 4.17Å; V373-I384 HydrophobicContact CG2-CG1 4.41Å; V373-I384 HydrophobicContact CG2-CG2 4.36Å; Y378-I384 HydrophobicContact CD2-CG1 4.13Å; I384-D386 PolarHBondContact O-N 3.44Å
385P72.2Confident69.3Low36 Ų3676.6 Ų76.623%0.23441%0.413CS..  trans-59.4130.5175.725-34.7000110.7V373V373-P385 HydrophobicContact CG2-CG 4.38Å
386D71.5Confident67.2Low15 Ų1580.4 Ų80.48%0.0844%0.435CS..  trans-94.3142.2174-162.8-21.3000110S99 R102 I384 C388 C389S99-D386 WeakPolarHBondContact CB-OD2 3.33Å; S99-D386 PolarHBondContact OG-OD2 2.99Å; R102-D386 IonicContact CZ-OD1 3.4Å; R102-D386 IonicContact CZ-OD2 3.95Å; R102-D386 IonicContact NH1-OD1 3.47Å; R102-D386 PolarHBondContact NH1-OD1 3.05Å; R102-D386 IonicContact NH1-OD2 2.85Å; R102-D386 PolarHBondContact NH1-OD2 3.23Å; R102-D386 IonicContact NH2-OD1 3.21Å; R102-D386 IonicContact NH2-OD2 2.71Å; R102-D386 PolarHBondContact NH2-OD2 3.39Å; I384-D386 PolarHBondContact O-N 3.44Å; D386-C388 PolarHBondContact O-N 3.48Å; D386-C388 PolarHBondContact OD1-N 3.46Å; D386-C389 HydrophobicContact CB-CB 3.63Å; D386-C389 PolarHBondContact O-N 2.89Å
387W67.3Low65.3Low114 Ų11478.7 Ų78.743%0.43243%0.431SS..SBendtrans-56.1-35166-54.5105.1000112F120 P122F120-W387 WeakPolarHBondContact O-CZ2 3.33Å; P122-W387 HydrophobicContact CG-CZ2 4.19Å
388C56.2Low63.3Low80 Ų8077.4 Ų77.454%0.54143%0.43SS..SBendtrans-90.1-13.7-176.8-63.90000113.6D386D386-C388 PolarHBondContact O-N 3.48Å; D386-C388 PolarHBondContact OD1-N 3.46Å
389C55.7Low61.2Low50 Ų5083.6 Ų83.634%0.33845%0.454SS..  trans-104.187.1178.7-59.50000110.5D386 S391 S392D386-C389 HydrophobicContact CB-CB 3.63Å; D386-C389 PolarHBondContact O-N 2.89Å; C389-S391 PolarHBondContact O-N 2.71Å; C389-S392 PolarHBondContact O-N 3.17Å; C389-S392 PolarHBondContact O-OG 3.21Å
390L50.7Low58.8Low169 Ų16984 Ų8489%0.88546%0.457SS*.THydrogen-bonded Turntrans-61.7-10.2172-66168.7000113.8S392L390-S392 VanDerWaalsContact C-N 3.26Å; L390-S392 PolarHBondContact O-N 3.26Å
391S43.4Very low56.7Low112 Ų11277.9 Ų77.978%0.78343%0.434SS*.THydrogen-bonded Turntrans-76.8-9.2178.451.10000114C389C389-S391 PolarHBondContact O-N 2.71Å
392S46.3Very low54.5Low45 Ų4578.1 Ų78.132%0.31545%0.45SS..SBendtrans-116.899.8171.150.90000108.9C389 L390C389-S392 PolarHBondContact O-N 3.17Å; C389-S392 PolarHBondContact O-OG 3.21Å; L390-S392 VanDerWaalsContact C-N 3.26Å; L390-S392 PolarHBondContact O-N 3.26Å
393P45.9Very low52.5Low88 Ų8884 Ų8457%0.57146%0.463SS*.PPolyproline II helixtrans-57.6142170.324.5-31000108.5Y399P393-Y399 HydrophobicContact CB-CE2 4.41Å
394P50.6Low50.8Low48 Ų4880.2 Ų80.231%0.31246%0.46SS..PPolyproline II helixtrans-54.2152170.623.2-32000109.7E396 V398 Y399P394-E396 PolarHBondContact O-N 2.96Å; P394-V398 HydrophobicContact CB-CB 3.88Å; P394-V398 HydrophobicContact CB-CG1 3.97Å; P394-V398 HydrophobicContact CB-CG2 3.87Å; P394-V398 HydrophobicContact CG-CB 4.3Å; P394-V398 HydrophobicContact CG-CG1 4.11Å; P394-Y399 HydrophobicContact CG-CE2 3.85Å; P394-Y399 WeakPolarHBondContact O-CE2 3.48Å
395P50.9Low48.6Very low25 Ų2584.4 Ų84.416%0.16249%0.488CS..PPolyproline II helixtrans-51.2145.4-178.315.3-25.5000110.7Y377 S397 V398Y377-P395 HydrophobicContact CE2-CB 3.9Å; P395-S397 PolarHBondContact O-N 2.92Å; P395-V398 HydrophobicContact CG-CG2 4.04Å; P395-V398 WeakPolarHBondContact O-CB 3.2Å; P395-V398 PolarHBondContact O-N 3.27Å
396E44.4Very low46.9Very low169 Ų16987.9 Ų87.979%0.7951%0.511SS*.Hα-helixtrans-51.4-25.6-176.3-75.6-176.1154.100113.3P394 V398 Y399 D400P394-E396 PolarHBondContact O-N 2.96Å; E396-V398 PolarHBondContact O-N 3.21Å; E396-Y399 PolarHBondContact O-N 2.94Å; E396-D400 PolarHBondContact O-N 3.19Å
397S47.4Very low45.1Very low63 Ų6393.1 Ų93.144%0.44155%0.546SS..Hα-helixtrans-58.1-25.7171.961.80000114.8P395P395-S397 PolarHBondContact O-N 2.92Å
398V45.4Very low43.5Very low43 Ų4395.4 Ų95.426%0.26157%0.566SS.*Hα-helixtrans-75.6-29.9176.1179.30000111.2P394 P395 E396P394-V398 HydrophobicContact CB-CB 3.88Å; P394-V398 HydrophobicContact CB-CG1 3.97Å; P394-V398 HydrophobicContact CB-CG2 3.87Å; P394-V398 HydrophobicContact CG-CB 4.3Å; P394-V398 HydrophobicContact CG-CG1 4.11Å; P395-V398 HydrophobicContact CG-CG2 4.04Å; P395-V398 WeakPolarHBondContact O-CB 3.2Å; P395-V398 PolarHBondContact O-N 3.27Å; E396-V398 PolarHBondContact O-N 3.21Å
399Y43.8Very low42.4Very low145 Ų14599.5 Ų99.557%0.56958%0.579SS**Hα-helixtrans-81-30.2176.1-65.5-80.4000112.3P393 P394 E396 A401 G402P393-Y399 HydrophobicContact CB-CE2 4.41Å; P394-Y399 HydrophobicContact CG-CE2 3.85Å; P394-Y399 WeakPolarHBondContact O-CE2 3.48Å; E396-Y399 PolarHBondContact O-N 2.94Å; Y399-A401 VanDerWaalsContact C-N 3.29Å; Y399-A401 PolarHBondContact O-N 2.78Å; Y399-G402 PolarHBondContact O-N 2.96Å
400D39.2Very low41.4Very low94 Ų94106.5 Ų106.550%0.50360%0.603SS.*Hα-helixtrans-71.8-21.3175.4-95.3-26.4000113.4E396 G402 K403E396-D400 PolarHBondContact O-N 3.19Å; D400-G402 PolarHBondContact O-N 3.19Å; D400-K403 PolarHBondContact O-N 3.27Å; D400-K403 IonicContact OD1-NZ 3.9Å; D400-K403 PolarHBondContact OD1-NZ 3.07Å
401A43.8Very low40.5Very low35 Ų35109.6 Ų109.629%0.28960%0.603SS.*G310 helixtrans-65.4-16.1170.600000113.4Y399 K403 T404Y399-A401 VanDerWaalsContact C-N 3.29Å; Y399-A401 PolarHBondContact O-N 2.78Å; A401-K403 PolarHBondContact O-N 2.75Å; A401-T404 PolarHBondContact O-OG1 3.09Å
402G36.5Very low40.1Very low71 Ų71108.5 Ų108.573%0.73260%0.601SS**G310 helixtrans-73.5-7.9173.700000114.5Y399 D400Y399-G402 PolarHBondContact O-N 2.96Å; D400-G402 PolarHBondContact O-N 3.19Å
403K37.6Very low39.5Very low165 Ų165115.6 Ų115.672%0.71763%0.626SS**G310 helixtrans-92.1-12.8176.6-68.5175.7-175.1151.70113.5D400 A401D400-K403 PolarHBondContact O-N 3.27Å; D400-K403 IonicContact OD1-NZ 3.9Å; D400-K403 PolarHBondContact OD1-NZ 3.07Å; A401-K403 PolarHBondContact O-N 2.75Å
404T39.7Very low38.8Very low99 Ų99116 Ų11661%0.60763%0.631SS**SBendtrans-86.1124.8170.137.60000109.1A401A401-T404 PolarHBondContact O-OG1 3.09Å
405P32.5Very low38.1Very low107 Ų107120.2 Ų120.270%0.69566%0.656SS**PPolyproline II helixtrans-56.7143.9175.624.8-32000108.9
406P35.3Very low37.4Very low109 Ų109127.4 Ų127.471%0.70869%0.688SS**PPolyproline II helixtrans-53.6138.2175.223.5-32.4000108.2L408P406-L408 PolarHBondContact O-N 3.45Å
407P35.2Very low36.7Very low125 Ų125132.9 Ų132.981%0.81271%0.709SS**  trans-58.6109.6176.723-30.4000107.1M409P407-M409 PolarHBondContact O-N 3.44Å
408L33.8Very low36.2Very low162 Ų162136.4 Ų136.485%0.84872%0.722SS**  trans-54.7110.3169.7-77.4161.7000105.7P406 K410P406-L408 PolarHBondContact O-N 3.45Å; L408-K410 PolarHBondContact O-N 3.21Å
409M33Very low35.7Very low166 Ų166141.3 Ų141.382%0.81875%0.746SS**  trans-55.798.8160.3-83-169.2-165.700105.6P407 R411P407-M409 PolarHBondContact O-N 3.44Å; M409-R411 PolarHBondContact O-N 3.04Å
410K33.9Very low35.3Very low197 Ų197141.1 Ų141.186%0.85776%0.756SS**  trans-57.8108.4167.7-80.7-174.6176.3-179.40105.1L408 A412L408-K410 PolarHBondContact O-N 3.21Å; K410-A412 PolarHBondContact O-N 3.21Å
411R31.1Very low35.1Very low234 Ų234143.8 Ų143.888%0.88377%0.771SS**  trans-48.4108166.6-81.2179.8171.7174.9-2.4106.7M409 F413M409-R411 PolarHBondContact O-N 3.04Å; R411-F413 PolarHBondContact O-N 3.15Å
412A35.1Very low34.5Very low88 Ų88150.6 Ų150.673%0.72780%0.801SS**SBendtrans-7555.717500000109.9K410K410-A412 PolarHBondContact O-N 3.21Å
413F34.9Very low34.4Very low195 Ų195155.9 Ų155.986%0.85581%0.806SS**  trans-154.375.1168.2-72.4-70.9000108.1R411R411-F413 PolarHBondContact O-N 3.15Å
414S30Very low34.1Very low96 Ų96155.3 Ų155.367%0.67181%0.812SS**  trans-107.899.6153.3-170.30000106.5E416S414-E416 PolarHBondContact O-N 3.28Å
415T37.2Very low33.7Very low136 Ų136159.6 Ų159.683%0.83483%0.828SS**  trans-75.196.8160.846.40000106.9
416E35.5Very low33.8Very low177 Ų177164 Ų16483%0.82784%0.839SS**  trans-81.1121.4165-74.2-176.2170.900109.2S414S414-E416 PolarHBondContact O-N 3.28Å
417K30.9Very low33.7Very low283 Ų283169 Ų169100%1.2385%0.851SS**  trans-117.40146.2-102.1-166.1177-176.90107.4

Retrieved 417 of 417 residues in 2370.3 ms (Link to these results)

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