A0A061IDL9_CRIGR Loading...

Transmembrane protein 53

AlphaFold DB , UniProt , Accession A0A061IDL9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Tmem53, Length 277 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
1M35.7Very low71.3Confident239 Ų23992.9 Ų92.9100%1.17753%0.525SS*.  0115.10-64.1177.587.300106.4S3M1-S3 PolarHBondContact O-N 3.14Å; M1-S3 VanDerWaalsContact O-N 3.11Å
2A31.2Very low73Confident104 Ų10492.9 Ų92.986%0.8652%0.521SS*.  trans-58.3118.9179.900000108.4A4A2-A4 PolarHBondContact O-N 3.2Å
3S42.7Very low74.2Confident88 Ų8887.5 Ų87.562%0.61549%0.492SS*.  trans-59.6107.7172.2179.60000106.4M1 E5 K91M1-S3 PolarHBondContact O-N 3.14Å; M1-S3 VanDerWaalsContact O-N 3.11Å; S3-E5 PolarHBondContact O-N 3.3Å; S3-K91 PolarHBondContact OG-NZ 2.74Å
4A55.3Low74.1Confident55 Ų5593.1 Ų93.146%0.45552%0.52SS..  trans-62.7104.217100000106.8A2 M88 K91A2-A4 PolarHBondContact O-N 3.2Å; A4-M88 HydrophobicContact CB-CE 4.37Å; A4-K91 PolarHBondContact O-NZ 3.08Å
5E70.9Confident72.9Confident178 Ų17897.7 Ų97.783%0.83254%0.536SS*.  trans-57.3142.6173-74178165.400109S3 D7S3-E5 PolarHBondContact O-N 3.3Å; E5-D7 PolarHBondContact O-N 2.71Å
6L83.1Confident71.1Confident24 Ų2495.6 Ų95.613%0.12653%0.528CS..  trans-69.5123.9173.5-78.4173.8000108.5Y8 Y67 M88 K91 L92 L95L6-Y8 HydrophobicContact CB-CD1 3.84Å; L6-Y8 WeakPolarHBondContact O-CD1 3.39Å; L6-Y8 PolarHBondContact O-N 2.78Å; L6-Y67 HydrophobicContact CB-CE2 4.47Å; L6-Y67 HydrophobicContact CD2-CD2 4.16Å; L6-Y67 HydrophobicContact CD2-CE1 4.28Å; L6-Y67 HydrophobicContact CD2-CE2 3.39Å; L6-Y67 VanDerWaalsContact CD2-CZ 3.45Å; L6-Y67 WeakPolarHBondContact CD2-OH 3.29Å; L6-Y67 HydrophobicContact CG-CE2 4.49Å; L6-M88 HydrophobicContact CD2-CB 4.29Å; L6-M88 HydrophobicContact CD2-SD 3.73Å; L6-K91 HydrophobicContact CD1-CB 3.31Å; L6-K91 HydrophobicContact CD2-CB 4.32Å; L6-K91 HydrophobicContact CG-CB 3.76Å; L6-K91 HydrophobicContact CG-CD 4.17Å; L6-L92 HydrophobicContact CD1-CB 4.38Å; L6-L95 HydrophobicContact CD1-CD1 4.31Å; L6-L95 HydrophobicContact CD1-CG 4.49Å
7D88.9Confident69.6Low146 Ų14695.3 Ų95.378%0.78153%0.533SS*.  trans-84.190.6167-17416.7000108.6E5 Y67E5-D7 PolarHBondContact O-N 2.71Å; D7-Y67 WeakPolarHBondContact O-CD2 3.34Å
8Y92Very high68.3Low67 Ų6797.1 Ų97.126%0.26353%0.531SS..EExtended strand (participates in β ladder)trans-124.4162.7-178.473.6-86.3000111.3L6 I10 R66 L95 Y99L6-Y8 HydrophobicContact CB-CD1 3.84Å; L6-Y8 WeakPolarHBondContact O-CD1 3.39Å; L6-Y8 PolarHBondContact O-N 2.78Å; Y8-I10 HydrophobicContact CE2-CB 4.33Å; Y8-I10 HydrophobicContact CE2-CG2 4.19Å; Y8-R66 WeakPolarHBondContact CA-O 3.4Å; Y8-L95 HydrophobicContact CD1-CD1 3.77Å; Y8-L95 HydrophobicContact CD1-CD2 4.38Å; Y8-L95 HydrophobicContact CD2-CD1 3.73Å; Y8-L95 HydrophobicContact CE1-CD1 3.85Å; Y8-L95 HydrophobicContact CE1-CD2 3.69Å; Y8-L95 HydrophobicContact CE1-CG 4.44Å; Y8-L95 HydrophobicContact CE2-CD1 3.81Å; Y8-L95 HydrophobicContact CE2-CD2 4.34Å; Y8-L95 HydrophobicContact CG-CD1 3.72Å; Y8-Y99 HydrophobicContact CE2-CE2 4.03Å; Y8-Y99 WeakPolarHBondContact OH-CE2 3.48Å; Y8-Y99 PolarHBondContact OH-OH 2.89Å
9S94.9Very high66.7Low35 Ų3596.7 Ų96.725%0.24554%0.536CS..EExtended strand (participates in β ladder)trans-126.8139171-68.10000109.9D47 I65 R66S9-D47 PolarHBondContact OG-OD1 3.35Å; S9-I65 CarbonylContact O-C 3.51Å; S9-I65 WeakPolarHBondContact O-CA 3.23Å; S9-R66 PolarHBondContact N-O 3.48Å; S9-R66 PolarHBondContact O-N 3.21Å
10I95.3Very high65.2Low42 Ų42100 Ų10022%0.21555%0.547CS..EExtended strand (participates in β ladder)trans-125132.3176.9-171.7170.5000109.8Y8 I12 I63 V64 I65 Y99Y8-I10 HydrophobicContact CE2-CB 4.33Å; Y8-I10 HydrophobicContact CE2-CG2 4.19Å; I10-I12 HydrophobicContact CD1-CD1 4.24Å; I10-I12 HydrophobicContact CD1-CG1 4.15Å; I10-I12 HydrophobicContact CG1-CG1 4.04Å; I10-I63 HydrophobicContact CD1-CG2 4.06Å; I10-I63 HydrophobicContact CG1-CG2 4.07Å; I10-V64 WeakPolarHBondContact CA-O 3.46Å; I10-I65 HydrophobicContact CB-CG1 4.47Å; I10-I65 HydrophobicContact CD1-CD1 4.35Å; I10-I65 HydrophobicContact CD1-CG1 3.95Å; I10-I65 HydrophobicContact CG1-CG1 3.94Å; I10-Y99 HydrophobicContact CD1-CD1 4.21Å; I10-Y99 HydrophobicContact CD1-CD2 3.97Å; I10-Y99 HydrophobicContact CD1-CE1 4.25Å; I10-Y99 HydrophobicContact CD1-CE2 4.04Å; I10-Y99 HydrophobicContact CD1-CG 4.08Å; I10-Y99 HydrophobicContact CG2-CE1 4.39Å
11E93.9Very high63.8Low44 Ų44105 Ų10521%0.20656%0.563CS.*EExtended strand (participates in β ladder)trans-112.4115.2173.8-68.7174.2-17200108.4S54 H58 I63 V64 R66E11-S54 VanDerWaalsContact CD-OG 3.28Å; E11-S54 PolarHBondContact OE2-OG 2.79Å; E11-H58 IonicContact OE2-CG 3.96Å; E11-I63 WeakPolarHBondContact O-CA 3.43Å; E11-V64 PolarHBondContact N-O 3.41Å; E11-V64 PolarHBondContact O-N 3.5Å; E11-R66 IonicContact OE1-CZ 3.86Å; E11-R66 VanDerWaalsContact OE1-CZ 3.25Å; E11-R66 IonicContact OE1-NE 3.4Å; E11-R66 PolarHBondContact OE1-NE 3.18Å; E11-R66 IonicContact OE1-NH2 2.78Å; E11-R66 PolarHBondContact OE1-NH2 3.08Å
12I92.3Very high63.6Low93 Ų93100.3 Ų100.348%0.47754%0.543SS..  trans-110.2122.7176.5-54.9176.8000107I10 I63 Y99I10-I12 HydrophobicContact CD1-CD1 4.24Å; I10-I12 HydrophobicContact CD1-CG1 4.15Å; I10-I12 HydrophobicContact CG1-CG1 4.04Å; I12-I63 HydrophobicContact CG1-CG2 4.37Å; I12-I63 HydrophobicContact CG2-CG1 4.48Å; I12-Y99 HydrophobicContact CD1-CD1 4.45Å
13P88.3Confident64Low22 Ų22100.8 Ų100.814%0.14354%0.537CS..  trans-67.6135.7-177.625-32.6000112.3Q15P13-Q15 CarbonylContact O-C 3.55Å; P13-Q15 PolarHBondContact O-N 3.3Å
14D73.3Confident63.8Low166 Ų166101.8 Ų101.889%0.88854%0.543SS*.SBendtrans-58-31.3-175.7-65.4-42000114.1P16D14-P16 WeakPolarHBondContact O-CD 3.35Å
15Q55.8Low63Low162 Ų162108 Ų10876%0.75756%0.563SS**SBendtrans-99.9108.4167.3-78.9-167.7-12.600108.8P13 C17P13-Q15 CarbonylContact O-C 3.55Å; P13-Q15 PolarHBondContact O-N 3.3Å; Q15-C17 PolarHBondContact O-N 3.04Å; Q15-C17 VanDerWaalsContact O-N 3.08Å
16P44.5Very low61.6Low64 Ų64107.6 Ų107.642%0.41657%0.566SS.*  trans-59.3121.1161.323.6-30.4000107.3D14 W18 S19D14-P16 WeakPolarHBondContact O-CD 3.35Å; P16-W18 HydrophobicContact CB-CB 3.82Å; P16-W18 VanDerWaalsContact CB-CD1 3.41Å; P16-W18 HydrophobicContact CB-CG 3.97Å; P16-W18 PolarHBondContact O-N 3.01Å; P16-S19 PolarHBondContact O-N 3.15Å; P16-S19 VanDerWaalsContact O-N 3.08Å
17C45.6Very low59.5Low91 Ų91109.4 Ų109.462%0.61559%0.59SS**THydrogen-bonded Turntrans-54.7-3.7163.1-108.70000112Q15 S19 R31 L34Q15-C17 PolarHBondContact O-N 3.04Å; Q15-C17 VanDerWaalsContact O-N 3.08Å; C17-S19 PolarHBondContact O-N 2.91Å; C17-R31 PolarHBondContact O-NH2 3.49Å; C17-L34 HydrophobicContact CB-CD1 4.39Å
18W46.6Very low57.2Low128 Ų128112.9 Ų112.949%0.48560%0.598SS.*THydrogen-bonded Turntrans-61.8-10.7167.2-51.996.5000115.1P16 R31 E104P16-W18 HydrophobicContact CB-CB 3.82Å; P16-W18 VanDerWaalsContact CB-CD1 3.41Å; P16-W18 HydrophobicContact CB-CG 3.97Å; P16-W18 PolarHBondContact O-N 3.01Å; W18-R31 PolarHBondContact O-NH1 2.84Å; W18-R31 PolarHBondContact O-NH2 3.3Å; W18-E104 WeakPolarHBondContact CH2-OE1 3.19Å; W18-E104 HydrophobicContact CZ2-CG 4.44Å; W18-E104 WeakPolarHBondContact CZ2-OE1 3.26Å
19S36.8Very low54.8Low90 Ų90119.3 Ų119.363%0.62963%0.628SS**  trans-136.657.4-170.1-49.50000116.6P16 C17P16-S19 PolarHBondContact O-N 3.15Å; P16-S19 VanDerWaalsContact O-N 3.08Å; C17-S19 PolarHBondContact O-N 2.91Å
20Q36.6Very low52.6Low161 Ų161122.2 Ų122.275%0.75265%0.654SS**  trans-108.489.6149.3-83.7-172.60.800108.7N22Q20-N22 VanDerWaalsContact C-N 3.32Å; Q20-N22 PolarHBondContact O-N 2.73Å; Q20-N22 VanDerWaalsContact O-N 3.14Å
21K36.2Very low50.7Low206 Ų206127 Ų12790%0.89667%0.669SS**  trans-73.690.6161.1-84.7-177.3176.2177.40107.3
22N31.8Very low49.4Very low140 Ų140129.3 Ų129.375%0.74968%0.679SS**  trans-85.3117.2155-79.3-12000107.2Q20Q20-N22 VanDerWaalsContact C-N 3.32Å; Q20-N22 PolarHBondContact O-N 2.73Å; Q20-N22 VanDerWaalsContact O-N 3.14Å
23P39.3Very low48.9Very low114 Ų114130.4 Ų130.474%0.7468%0.677SS**  trans-74.2130171.217.1-5.9000109.2
24C39.2Very low49.1Very low109 Ų109131.9 Ų131.974%0.73668%0.683SS**  trans67100.1159.1-580000117.4
25H37.4Very low50.2Low187 Ų187124 Ų12487%0.86664%0.641SS**  -179.1127105.1-98.2-72.8000110.9
26D42.7Very low52.2Low169 Ų169116.4 Ų116.490%0.90461%0.606SS**  trans37128.7150.9-125-14.8000122.6
27G38.5Very low54.8Low61 Ų61113.4 Ų113.463%0.62959%0.586SS**  trans103.1103.7174.900000113.8K29G27-K29 PolarHBondContact O-N 3.01Å
28K39.3Very low57.3Low220 Ų220109 Ų10996%0.95756%0.557SS**  trans-63.878.1172.9-73.6178.5177.8175.20111.1A30K28-A30 PolarHBondContact O-N 2.91Å
29K42Very low59.8Low202 Ų202103 Ų10388%0.87853%0.534SS*.  trans-72.2109.7155.9-79.2-174.2178.2178.30106.6G27 R31G27-K29 PolarHBondContact O-N 3.01Å; K29-R31 PolarHBondContact O-N 3.33Å
30A50.2Low62.7Low96 Ų9698.7 Ų98.779%0.79350%0.504SS*.  trans-49126.7170.400000108.7K28 K32K28-A30 PolarHBondContact O-N 2.91Å; A30-K32 PolarHBondContact O-N 2.64Å
31R54.3Low65.5Low143 Ų14391.1 Ų91.154%0.5447%0.469SS..  trans-60.9112.3179.9-171.1-176.4-166.3154.716.5108C17 W18 K29 R33C17-R31 PolarHBondContact O-NH2 3.49Å; W18-R31 PolarHBondContact O-NH1 2.84Å; W18-R31 PolarHBondContact O-NH2 3.3Å; K29-R31 PolarHBondContact O-N 3.33Å; R31-R33 PolarHBondContact O-N 3.37Å
32K66.5Low68.2Low92 Ų9283.6 Ų83.640%0.444%0.435SS..  trans-66.4104.1-179.7-162.9176.3178.5-174.10108.4A30 Q272 V275 Q276A30-K32 PolarHBondContact O-N 2.64Å; K32-Q272 PolarHBondContact NZ-O 3.47Å; K32-Q272 VanDerWaalsContact NZ-O 3.15Å; K32-V275 HydrophobicContact CG-CG2 4.45Å; K32-Q276 HydrophobicContact CD-CG 4.36Å
33R83Confident70.8Confident116 Ų11677.4 Ų77.444%0.43840%0.404SS..PPolyproline II helixtrans-71.6129.4176.8-67.7-170.5-177.2-156.38.1108.8R31 E104 P105R31-R33 PolarHBondContact O-N 3.37Å; R33-E104 WeakPolarHBondContact CD-OE2 3.28Å; R33-E104 IonicContact NH1-OE1 3.05Å; R33-E104 PolarHBondContact NH1-OE1 3.12Å; R33-E104 IonicContact NH1-OE2 2.88Å; R33-P105 HydrophobicContact CB-CG 4.11Å
34L91.6Very high72.8Confident52 Ų5273.7 Ų73.727%0.27239%0.387SS..PPolyproline II helixtrans-78.5142.3173.6-69.6170.8000108.6C17 R60 G61C17-L34 HydrophobicContact CB-CD1 4.39Å; L34-R60 WeakPolarHBondContact CD1-O 3.45Å; L34-G61 WeakPolarHBondContact CD1-O 3.49Å
35P95.9Very high75Confident2 Ų269.1 Ų69.11%0.01336%0.356CS..PPolyproline II helixtrans-76.3153.9-179.231-30.4000111.4V37 C62 P105 L107 V138 M271 V275P35-V37 HydrophobicContact CG-CG2 4.35Å; P35-C62 WeakPolarHBondContact O-CB 3.48Å; P35-P105 CarbonylContact C-O 3.57Å; P35-P105 WeakPolarHBondContact CA-O 3.32Å; P35-P105 HydrophobicContact CB-CB 4.11Å; P35-P105 VanDerWaalsContact CB-O 3.28Å; P35-P105 WeakPolarHBondContact CB-O 3.11Å; P35-L107 HydrophobicContact CB-CB 4.14Å; P35-L107 HydrophobicContact CG-CB 4.36Å; P35-V138 HydrophobicContact CB-CG2 4.47Å; P35-M271 HydrophobicContact CG-CG 3.68Å; P35-M271 HydrophobicContact CG-SD 3.99Å; P35-V275 HydrophobicContact CB-CG1 4.21Å; P35-V275 HydrophobicContact CG-CG1 4.04Å
36V97.9Very high77.5Confident2 Ų266.2 Ų66.21%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-76.1124.3156.8179.80000107.1I38 I63 I65 L96 I101 E104 P105 L106 L107V36-I38 HydrophobicContact CG1-CG1 4.36Å; V36-I63 WeakPolarHBondContact CA-O 3.28Å; V36-I63 HydrophobicContact CG1-CB 4.39Å; V36-I63 HydrophobicContact CG1-CG2 4.22Å; V36-I63 HydrophobicContact CG2-CB 4.24Å; V36-I63 HydrophobicContact CG2-CD1 4.44Å; V36-I65 HydrophobicContact CG1-CD1 4.11Å; V36-I65 HydrophobicContact CG1-CG1 4.41Å; V36-L96 HydrophobicContact CG1-CD2 4.28Å; V36-I101 HydrophobicContact CG1-CD1 4.02Å; V36-I101 HydrophobicContact CG2-CB 4.21Å; V36-I101 HydrophobicContact CG2-CD1 3.83Å; V36-I101 HydrophobicContact CG2-CG1 4.3Å; V36-E104 HydrophobicContact CG2-CB 3.8Å; V36-E104 HydrophobicContact CG2-CG 4.47Å; V36-P105 PolarHBondContact N-O 2.79Å; V36-L106 HydrophobicContact CB-CD2 3.92Å; V36-L106 HydrophobicContact CG2-CD2 4.5Å; V36-L107 PolarHBondContact O-N 3.44Å
37V98.5Very high79.7Confident0 Ų061.3 Ų61.30%031%0.311CS..EExtended strand (participates in β ladder)trans-100.7123.4179.5-173.70000109.6P35 L39 Y57 C62 I63 V64 I65 L107P35-V37 HydrophobicContact CG-CG2 4.35Å; V37-L39 HydrophobicContact CG1-CD2 3.76Å; V37-Y57 HydrophobicContact CB-CD2 4.37Å; V37-Y57 HydrophobicContact CB-CG 4.16Å; V37-Y57 HydrophobicContact CG1-CD1 4.25Å; V37-Y57 HydrophobicContact CG1-CD2 3.72Å; V37-Y57 HydrophobicContact CG1-CE1 4.36Å; V37-Y57 HydrophobicContact CG1-CE2 3.85Å; V37-Y57 HydrophobicContact CG1-CG 3.91Å; V37-Y57 HydrophobicContact CG2-CD1 3.85Å; V37-Y57 HydrophobicContact CG2-CE1 4.47Å; V37-Y57 HydrophobicContact CG2-CG 3.84Å; V37-C62 HydrophobicContact CG2-CB 4.01Å; V37-I63 PolarHBondContact N-O 3.45Å; V37-V64 HydrophobicContact CB-CG1 4.42Å; V37-V64 HydrophobicContact CB-CG2 4.46Å; V37-V64 CarbonylContact O-C 3.55Å; V37-V64 VanDerWaalsContact O-CA 3.29Å; V37-V64 WeakPolarHBondContact O-CA 3.06Å; V37-I65 PolarHBondContact O-N 3.36Å; V37-L107 CarbonylContact C-O 3.54Å; V37-L107 VanDerWaalsContact CA-O 3.32Å; V37-L107 WeakPolarHBondContact CA-O 3.24Å; V37-L107 HydrophobicContact CG1-CD2 4.32Å; V37-L107 HydrophobicContact CG2-CB 4.29Å; V37-L107 HydrophobicContact CG2-CD2 4.13Å
38I98.6Very high82.2Confident0 Ų064.6 Ų64.60%031%0.308CS..EExtended strand (participates in β ladder)trans-109.2111.8179.6-56172000108.6V36 L40 I65 L92 L96 L107 F108 H109V36-I38 HydrophobicContact CG1-CG1 4.36Å; I38-L40 HydrophobicContact CG2-CD2 3.67Å; I38-L40 HydrophobicContact CG2-CG 4.43Å; I38-I65 CarbonylContact C-O 3.58Å; I38-I65 WeakPolarHBondContact CA-O 3.34Å; I38-I65 HydrophobicContact CG1-CB 4.37Å; I38-L92 HydrophobicContact CG2-CD1 4.45Å; I38-L92 HydrophobicContact CG2-CD2 4.1Å; I38-L96 HydrophobicContact CD1-CD2 4.31Å; I38-L107 PolarHBondContact N-O 3.01Å; I38-F108 HydrophobicContact CB-CD1 3.85Å; I38-F108 HydrophobicContact CB-CE1 3.89Å; I38-F108 HydrophobicContact CD1-CD1 4.39Å; I38-F108 HydrophobicContact CD1-CE1 3.63Å; I38-F108 HydrophobicContact CD1-CZ 3.72Å; I38-F108 HydrophobicContact CG1-CE1 4.33Å; I38-F108 HydrophobicContact CG2-CD1 4.09Å; I38-F108 HydrophobicContact CG2-CE1 3.95Å; I38-H109 PolarHBondContact O-N 3.07Å
39L98.6Very high84.8Confident0 Ų057 Ų570%028%0.278CS..EExtended strand (participates in β ladder)trans-91.1117176.9-51.8-168.3000110V37 L50 Y57 V64 I65 R66 Y67 H109 F111V37-L39 HydrophobicContact CG1-CD2 3.76Å; L39-L50 HydrophobicContact CB-CD1 4.45Å; L39-Y57 HydrophobicContact CD2-CD2 4.24Å; L39-Y57 HydrophobicContact CD2-CE2 3.97Å; L39-V64 HydrophobicContact CD1-CG1 4.05Å; L39-V64 HydrophobicContact CG-CG1 3.86Å; L39-I65 PolarHBondContact N-O 3.04Å; L39-R66 HydrophobicContact CB-CG 4.29Å; L39-R66 HydrophobicContact CD1-CG 4Å; L39-R66 HydrophobicContact CG-CG 4.33Å; L39-Y67 PolarHBondContact O-N 2.7Å; L39-Y67 VanDerWaalsContact O-O 3.14Å; L39-H109 WeakPolarHBondContact CA-O 3.47Å; L39-H109 HydrophobicContact CD2-CB 3.48Å; L39-H109 VanDerWaalsContact CD2-CB 3.48Å; L39-F111 HydrophobicContact CB-CE2 4.29Å
40L98.1Very high87.3Confident0 Ų047.4 Ų47.40%024%0.236CC..EExtended strand (participates in β ladder)trans-103.8101.2177.6-53.8-173.8000110I38 Y67 L92 F108 H109 V110 F111 L118 Y119I38-L40 HydrophobicContact CG2-CD2 3.67Å; I38-L40 HydrophobicContact CG2-CG 4.43Å; L40-Y67 WeakPolarHBondContact CA-O 3.38Å; L40-L92 HydrophobicContact CD2-CD2 3.57Å; L40-F108 HydrophobicContact CD1-CD1 4.17Å; L40-F108 HydrophobicContact CG-CD1 4.45Å; L40-H109 PolarHBondContact N-O 3.14Å; L40-V110 HydrophobicContact CB-CG1 4.42Å; L40-V110 HydrophobicContact CD1-CG2 4.16Å; L40-F111 WeakPolarHBondContact O-CB 3.47Å; L40-F111 WeakPolarHBondContact O-CD2 3.25Å; L40-F111 PolarHBondContact O-N 2.94Å; L40-L118 HydrophobicContact CD1-CD2 4.41Å; L40-L118 HydrophobicContact CD2-CD2 4.02Å; L40-Y119 HydrophobicContact CD1-CD2 3.93Å; L40-Y119 HydrophobicContact CD1-CG 4.29Å
41G96Very high89.5Confident3 Ų344.4 Ų44.43%0.03121%0.212CC..PPolyproline II helixtrans-68.4161.9-174.100000115Y67 G115G41-Y67 PolarHBondContact N-O 3Å; G41-G115 PolarHBondContact O-N 2.85Å
42W92.9Very high91.5Very high47 Ų4744.8 Ų44.818%0.17822%0.217CC..PPolyproline II helixtrans-84.4171.2178.466.296.9000112.6G44 C45 N49 L50 Y53 T68 F111 S112 V253W42-G44 PolarHBondContact O-N 3.03Å; W42-C45 HydrophobicContact CD2-CB 3.5Å; W42-C45 VanDerWaalsContact CD2-CB 3.5Å; W42-C45 HydrophobicContact CE3-CB 3.87Å; W42-C45 HydrophobicContact CG-CB 3.87Å; W42-C45 HydrophobicContact CH2-CB 4.38Å; W42-C45 VanDerWaalsContact CH2-SG 3.54Å; W42-C45 HydrophobicContact CZ2-CB 4Å; W42-C45 HydrophobicContact CZ3-CB 4.3Å; W42-C45 WeakPolarHBondContact CZ3-SG 3.43Å; W42-C45 WeakPolarHBondContact O-CB 3.5Å; W42-C45 PolarHBondContact O-N 2.85Å; W42-C45 VanDerWaalsContact O-N 3.08Å; W42-N49 HydrophobicContact CH2-CB 3.66Å; W42-N49 HydrophobicContact CZ2-CB 3.97Å; W42-L50 HydrophobicContact CE3-CD2 4.39Å; W42-L50 HydrophobicContact CZ3-CD2 3.91Å; W42-Y53 HydrophobicContact CH2-CE2 4.41Å; W42-Y53 HydrophobicContact CZ3-CE2 4.36Å; W42-T68 WeakPolarHBondContact O-CG2 3.32Å; W42-F111 HydrophobicContact CB-CB 4.29Å; W42-F111 HydrophobicContact CE3-CB 3.75Å; W42-F111 HydrophobicContact CE3-CD1 4.31Å; W42-F111 HydrophobicContact CE3-CG 4.01Å; W42-F111 HydrophobicContact CZ3-CD1 4.31Å; W42-F111 HydrophobicContact CZ3-CG 4.31Å; W42-S112 VanDerWaalsContact CB-CB 3.48Å; W42-V253 HydrophobicContact CD2-CG1 3.95Å; W42-V253 HydrophobicContact CD2-CG2 4.49Å; W42-V253 HydrophobicContact CE3-CG1 3.55Å; W42-V253 HydrophobicContact CH2-CG1 3.75Å; W42-V253 HydrophobicContact CZ2-CG1 4.18Å; W42-V253 HydrophobicContact CZ3-CG1 3.44Å; W42-V253 VanDerWaalsContact CZ3-CG1 3.44Å
43G85.4Confident93Very high10 Ų1041.1 Ų41.110%0.10320%0.201CC..THydrogen-bonded Turntrans-57.3122.4178.400000112.8C45 I161G43-C45 PolarHBondContact O-N 3.08Å; G43-I161 VanDerWaalsContact C-CD1 3.44Å; G43-I161 WeakPolarHBondContact O-CD1 3.43Å; G43-I161 WeakPolarHBondContact O-CG1 3.4Å
44G82.4Confident93.7Very high37 Ų3735.6 Ų35.638%0.38118%0.18SC..THydrogen-bonded Turntrans75.45.9179.300000115.1W42W42-G44 PolarHBondContact O-N 3.03Å
45C85.7Confident93.9Very high13 Ų1334.6 Ų34.69%0.08818%0.179CC..  trans-59.9146.7168.7-176.80000110.9W42 G43 T68W42-C45 HydrophobicContact CD2-CB 3.5Å; W42-C45 VanDerWaalsContact CD2-CB 3.5Å; W42-C45 HydrophobicContact CE3-CB 3.87Å; W42-C45 HydrophobicContact CG-CB 3.87Å; W42-C45 HydrophobicContact CH2-CB 4.38Å; W42-C45 VanDerWaalsContact CH2-SG 3.54Å; W42-C45 HydrophobicContact CZ2-CB 4Å; W42-C45 HydrophobicContact CZ3-CB 4.3Å; W42-C45 WeakPolarHBondContact CZ3-SG 3.43Å; W42-C45 WeakPolarHBondContact O-CB 3.5Å; W42-C45 PolarHBondContact O-N 2.85Å; W42-C45 VanDerWaalsContact O-N 3.08Å; G43-C45 PolarHBondContact O-N 3.08Å; C45-T68 HydrophobicContact CB-CG2 3.87Å
46R88.5Confident94Very high126 Ų12634.9 Ų34.948%0.47518%0.181SC..  trans-111.9158.6170.3-60.2-177.4-173-172.1-1.6109.5K48 N49R46-K48 HydrophobicContact CB-CG 4.11Å; R46-K48 PolarHBondContact O-N 3.35Å; R46-K48 VanDerWaalsContact O-N 3.12Å; R46-N49 PolarHBondContact N-OD1 2.85Å; R46-N49 WeakPolarHBondContact O-CA 3.45Å; R46-N49 VanDerWaalsContact O-CB 3.24Å; R46-N49 WeakPolarHBondContact O-CB 3.37Å; R46-N49 PolarHBondContact O-N 3.01Å; R46-N49 PolarHBondContact O-OD1 3.42Å
47D90.7Very high94Very high65 Ų6534.8 Ų34.835%0.34818%0.18SC..Hα-helixtrans-51.8-40.8179.3-178.157.8000113.5S9 N49 L50 A51 R66S9-D47 PolarHBondContact OG-OD1 3.35Å; D47-N49 PolarHBondContact O-N 2.83Å; D47-N49 VanDerWaalsContact O-N 3.1Å; D47-L50 PolarHBondContact O-N 3.06Å; D47-A51 PolarHBondContact O-N 3.31Å; D47-R66 PolarHBondContact O-NH1 3.43Å; D47-R66 IonicContact OD1-CZ 3.61Å; D47-R66 IonicContact OD1-NE 3.88Å; D47-R66 IonicContact OD1-NH1 3.47Å; D47-R66 PolarHBondContact OD1-NH1 3.06Å; D47-R66 IonicContact OD1-NH2 3.03Å; D47-R66 IonicContact OD2-CZ 3.25Å; D47-R66 IonicContact OD2-NH1 2.7Å; D47-R66 PolarHBondContact OD2-NH1 3.37Å; D47-R66 IonicContact OD2-NH2 2.71Å
48K91Very high93.9Very high131 Ų13137.7 Ų37.757%0.5719%0.193SC*.Hα-helixtrans-57.1-27.217571.3172.6-172.4171.10114.8R46R46-K48 HydrophobicContact CB-CG 4.11Å; R46-K48 PolarHBondContact O-N 3.35Å; R46-K48 VanDerWaalsContact O-N 3.12Å
49N92.6Very high93.8Very high59 Ų5946 Ų4632%0.31623%0.23SC..Hα-helixtrans-74.4-44.5177.2-64.696.3000109.5W42 R46 D47 A51 Y53W42-N49 HydrophobicContact CH2-CB 3.66Å; W42-N49 HydrophobicContact CZ2-CB 3.97Å; R46-N49 PolarHBondContact N-OD1 2.85Å; R46-N49 WeakPolarHBondContact O-CA 3.45Å; R46-N49 VanDerWaalsContact O-CB 3.24Å; R46-N49 WeakPolarHBondContact O-CB 3.37Å; R46-N49 PolarHBondContact O-N 3.01Å; R46-N49 PolarHBondContact O-OD1 3.42Å; D47-N49 PolarHBondContact O-N 2.83Å; D47-N49 VanDerWaalsContact O-N 3.1Å; N49-A51 VanDerWaalsContact C-N 3.34Å; N49-Y53 WeakPolarHBondContact O-CD2 3.48Å
50L95.8Very high93.6Very high1 Ų150.5 Ų50.51%0.00525%0.247CC..Hα-helixtrans-68.8-28.6176.1-66.1-176.4000113.2L39 W42 D47 K52 Y53 S54 R66 T68 F111L39-L50 HydrophobicContact CB-CD1 4.45Å; W42-L50 HydrophobicContact CE3-CD2 4.39Å; W42-L50 HydrophobicContact CZ3-CD2 3.91Å; D47-L50 PolarHBondContact O-N 3.06Å; L50-K52 PolarHBondContact O-N 2.68Å; L50-K52 VanDerWaalsContact O-N 3.1Å; L50-Y53 WeakPolarHBondContact O-CA 3.42Å; L50-Y53 WeakPolarHBondContact O-CB 3.3Å; L50-Y53 PolarHBondContact O-N 3.4Å; L50-S54 PolarHBondContact O-N 2.97Å; L50-R66 HydrophobicContact CB-CB 4.43Å; L50-R66 HydrophobicContact CB-CG 4.12Å; L50-R66 HydrophobicContact CD1-CB 4.15Å; L50-T68 WeakPolarHBondContact CD1-OG1 3.48Å; L50-F111 HydrophobicContact CD2-CD2 3.9Å; L50-F111 HydrophobicContact CD2-CE2 3.83Å; L50-F111 HydrophobicContact CD2-CZ 4.5Å
51A95.9Very high93.4Very high33 Ų3351.6 Ų51.627%0.27326%0.258SS..Hα-helixtrans-52.3-35.9179.300000113.3D47 N49 S54 A55D47-A51 PolarHBondContact O-N 3.31Å; N49-A51 VanDerWaalsContact C-N 3.34Å; A51-S54 WeakPolarHBondContact O-CB 3.47Å; A51-S54 PolarHBondContact O-N 3.03Å; A51-A55 PolarHBondContact O-N 3.16Å
52K95.4Very high93.4Very high152 Ų15251.5 Ų51.566%0.66126%0.257SS*.Hα-helixtrans-67-37.9178-61.6-178-178.8-176.60112.5L50 L256L50-K52 PolarHBondContact O-N 2.68Å; L50-K52 VanDerWaalsContact O-N 3.1Å; K52-L256 HydrophobicContact CB-CD2 4.09Å
53Y97.9Very high93.6Very high14 Ų1450.6 Ų50.66%0.05526%0.255CS..Hα-helixtrans-74.4-39175.4-61.7-88000110.6W42 N49 L50 A55 I56 Y57 F111 V253 L256 Y263W42-Y53 HydrophobicContact CH2-CE2 4.41Å; W42-Y53 HydrophobicContact CZ3-CE2 4.36Å; N49-Y53 WeakPolarHBondContact O-CD2 3.48Å; L50-Y53 WeakPolarHBondContact O-CA 3.42Å; L50-Y53 WeakPolarHBondContact O-CB 3.3Å; L50-Y53 PolarHBondContact O-N 3.4Å; Y53-A55 VanDerWaalsContact C-N 3.28Å; Y53-A55 PolarHBondContact O-N 3.37Å; Y53-I56 VanDerWaalsContact O-CB 3.28Å; Y53-I56 WeakPolarHBondContact O-CB 3.01Å; Y53-I56 PolarHBondContact O-N 2.85Å; Y53-I56 VanDerWaalsContact O-N 3.08Å; Y53-Y57 WeakPolarHBondContact O-CD2 3.4Å; Y53-F111 AromaticContact CD1-CE1 3.63Å; Y53-F111 HydrophobicContact CD1-CE1 3.63Å; Y53-F111 AromaticContact CD1-CZ 3.56Å; Y53-F111 HydrophobicContact CD1-CZ 3.56Å; Y53-F111 HydrophobicContact CD2-CE1 4.27Å; Y53-F111 HydrophobicContact CD2-CZ 4.09Å; Y53-F111 AromaticContact CE1-CE1 3.59Å; Y53-F111 HydrophobicContact CE1-CE1 3.59Å; Y53-F111 HydrophobicContact CE1-CZ 4.04Å; Y53-F111 HydrophobicContact CE2-CE1 4.22Å; Y53-F111 HydrophobicContact CE2-CZ 4.49Å; Y53-F111 AromaticContact CG-CE1 4Å; Y53-F111 HydrophobicContact CG-CE1 4Å; Y53-F111 AromaticContact CG-CZ 3.6Å; Y53-F111 HydrophobicContact CG-CZ 3.6Å; Y53-F111 AromaticContact CZ-CE1 3.89Å; Y53-V253 PolarHBondContact OH-O 3.34Å; Y53-L256 HydrophobicContact CD1-CB 4.26Å; Y53-L256 HydrophobicContact CD1-CD2 3.54Å; Y53-L256 HydrophobicContact CD2-CD2 4.22Å; Y53-L256 HydrophobicContact CE1-CB 3.47Å; Y53-L256 VanDerWaalsContact CE1-CB 3.47Å; Y53-L256 HydrophobicContact CE1-CD2 3.52Å; Y53-L256 HydrophobicContact CE1-CG 4.13Å; Y53-L256 HydrophobicContact CE2-CD2 4.23Å; Y53-L256 HydrophobicContact CG-CD2 3.9Å; Y53-Y263 AromaticContact CD1-CE1 3.87Å; Y53-Y263 HydrophobicContact CD1-CE1 3.87Å; Y53-Y263 AromaticContact CD1-CZ 3.94Å; Y53-Y263 WeakPolarHBondContact CD1-OH 3.18Å; Y53-Y263 AromaticContact CE1-CE1 3.91Å; Y53-Y263 HydrophobicContact CE1-CE1 3.91Å; Y53-Y263 AromaticContact CE1-CZ 3.69Å; Y53-Y263 VanDerWaalsContact CE1-OH 3.25Å; Y53-Y263 WeakPolarHBondContact CE1-OH 3.18Å
54S97.6Very high94.2Very high0 Ų050.1 Ų50.10%025%0.25CS..Hα-helixtrans-55.8-44.3174.3-167.70000112E11 L50 A51 I56 Y57 H58 V64E11-S54 VanDerWaalsContact CD-OG 3.28Å; E11-S54 PolarHBondContact OE2-OG 2.79Å; L50-S54 PolarHBondContact O-N 2.97Å; A51-S54 WeakPolarHBondContact O-CB 3.47Å; A51-S54 PolarHBondContact O-N 3.03Å; S54-I56 PolarHBondContact O-N 3.42Å; S54-Y57 PolarHBondContact O-N 3.17Å; S54-H58 WeakPolarHBondContact O-CB 3.35Å; S54-H58 PolarHBondContact O-N 3.3Å; S54-V64 WeakPolarHBondContact OG-CB 3.37Å; S54-V64 VanDerWaalsContact OG-CG1 3.23Å; S54-V64 WeakPolarHBondContact OG-CG1 3.19Å
55A97.3Very high94.9Very high31 Ų3148.3 Ų48.326%0.25623%0.232SC..Hα-helixtrans-57.5-24.2179.200000113.7A51 Y53 K59A51-A55 PolarHBondContact O-N 3.16Å; Y53-A55 VanDerWaalsContact C-N 3.28Å; Y53-A55 PolarHBondContact O-N 3.37Å; A55-K59 VanDerWaalsContact O-CB 3.24Å; A55-K59 WeakPolarHBondContact O-CB 3.41Å; A55-K59 VanDerWaalsContact O-CD 3.32Å; A55-K59 WeakPolarHBondContact O-CD 3.44Å; A55-K59 WeakPolarHBondContact O-CG 3.39Å; A55-K59 PolarHBondContact O-N 3.41Å
56I97.7Very high95.5Very high9 Ų948.6 Ų48.65%0.04623%0.231CC..Hα-helixtrans-63.2-46.7174.8-62.7169.1000110.1Y53 S54 R60 L256 Y263 T264 C267 V268Y53-I56 VanDerWaalsContact O-CB 3.28Å; Y53-I56 WeakPolarHBondContact O-CB 3.01Å; Y53-I56 PolarHBondContact O-N 2.85Å; Y53-I56 VanDerWaalsContact O-N 3.08Å; S54-I56 PolarHBondContact O-N 3.42Å; I56-R60 WeakPolarHBondContact O-CD 3.5Å; I56-R60 PolarHBondContact O-NH1 3.34Å; I56-L256 HydrophobicContact CD1-CD1 4.05Å; I56-L256 HydrophobicContact CD1-CD2 4.23Å; I56-Y263 HydrophobicContact CD1-CD1 4.01Å; I56-Y263 HydrophobicContact CD1-CE1 3.82Å; I56-T264 HydrophobicContact CG1-CG2 4.39Å; I56-T264 HydrophobicContact CG2-CG2 4.04Å; I56-C267 HydrophobicContact CG2-CB 4.33Å; I56-V268 HydrophobicContact CG2-CG2 3.69Å
57Y97.8Very high95.9Very high0 Ų043 Ų430%021%0.21CC..Hα-helixtrans-87.7-42-174.6-56.6-72.9000112.1V37 L39 Y53 S54 K59 R60 G61 C62 L107 H109 C267 M271V37-Y57 HydrophobicContact CB-CD2 4.37Å; V37-Y57 HydrophobicContact CB-CG 4.16Å; V37-Y57 HydrophobicContact CG1-CD1 4.25Å; V37-Y57 HydrophobicContact CG1-CD2 3.72Å; V37-Y57 HydrophobicContact CG1-CE1 4.36Å; V37-Y57 HydrophobicContact CG1-CE2 3.85Å; V37-Y57 HydrophobicContact CG1-CG 3.91Å; V37-Y57 HydrophobicContact CG2-CD1 3.85Å; V37-Y57 HydrophobicContact CG2-CE1 4.47Å; V37-Y57 HydrophobicContact CG2-CG 3.84Å; L39-Y57 HydrophobicContact CD2-CD2 4.24Å; L39-Y57 HydrophobicContact CD2-CE2 3.97Å; Y53-Y57 WeakPolarHBondContact O-CD2 3.4Å; S54-Y57 PolarHBondContact O-N 3.17Å; Y57-K59 VanDerWaalsContact C-N 3.33Å; Y57-K59 PolarHBondContact O-N 3.5Å; Y57-R60 CarbonylContact O-C 3.5Å; Y57-R60 WeakPolarHBondContact O-CA 3.28Å; Y57-R60 WeakPolarHBondContact O-CB 3.35Å; Y57-R60 PolarHBondContact O-N 2.95Å; Y57-G61 PolarHBondContact O-N 2.89Å; Y57-C62 WeakPolarHBondContact O-CB 3.35Å; Y57-C62 PolarHBondContact O-N 3.31Å; Y57-L107 HydrophobicContact CE1-CD2 3.94Å; Y57-H109 AromaticContact CE2-ND1 3.67Å; Y57-H109 AromaticContact CZ-ND1 3.71Å; Y57-H109 PolarHBondContact OH-ND1 3.27Å; Y57-C267 HydrophobicContact CE1-CB 4.35Å; Y57-M271 HydrophobicContact CD1-SD 3.67Å; Y57-M271 HydrophobicContact CE1-CB 4.4Å; Y57-M271 HydrophobicContact CE1-SD 4.21Å
58H96.4Very high96.1Very high60 Ų6041.3 Ų41.328%0.27820%0.203SC..Hα-helixtrans-61-40.4-179.9-176.1-102.2000112E11 S54 R60 G61 V64E11-H58 IonicContact OE2-CG 3.96Å; S54-H58 WeakPolarHBondContact O-CB 3.35Å; S54-H58 PolarHBondContact O-N 3.3Å; H58-R60 PolarHBondContact O-N 3.47Å; H58-G61 PolarHBondContact O-N 3.28Å; H58-V64 HydrophobicContact CB-CG2 4.03Å
59K95.1Very high96.1Very high176 Ų17635.4 Ų35.477%0.76518%0.178SC*.THydrogen-bonded Turntrans-61.6-13.5173.8-73.3177.7-178.6-179.80113.9A55 Y57A55-K59 VanDerWaalsContact O-CB 3.24Å; A55-K59 WeakPolarHBondContact O-CB 3.41Å; A55-K59 VanDerWaalsContact O-CD 3.32Å; A55-K59 WeakPolarHBondContact O-CD 3.44Å; A55-K59 WeakPolarHBondContact O-CG 3.39Å; A55-K59 PolarHBondContact O-N 3.41Å; Y57-K59 VanDerWaalsContact C-N 3.33Å; Y57-K59 PolarHBondContact O-N 3.5Å
60R94.4Very high96Very high93 Ų9334.8 Ų34.835%0.35118%0.177SC..THydrogen-bonded Turntrans-102.78.7176.6-67.6168.9170.379.90112.5L34 I56 Y57 H58 M271L34-R60 WeakPolarHBondContact CD1-O 3.45Å; I56-R60 WeakPolarHBondContact O-CD 3.5Å; I56-R60 PolarHBondContact O-NH1 3.34Å; Y57-R60 CarbonylContact O-C 3.5Å; Y57-R60 WeakPolarHBondContact O-CA 3.28Å; Y57-R60 WeakPolarHBondContact O-CB 3.35Å; Y57-R60 PolarHBondContact O-N 2.95Å; H58-R60 PolarHBondContact O-N 3.47Å; R60-M271 HydrophobicContact CB-CE 4.44Å
61G93.9Very high95.5Very high24 Ų2437.7 Ų37.725%0.24719%0.188CC..THydrogen-bonded Turntrans80.817177.400000114.3L34 Y57 H58L34-G61 WeakPolarHBondContact CD1-O 3.49Å; Y57-G61 PolarHBondContact O-N 2.89Å; H58-G61 PolarHBondContact O-N 3.28Å
62C96.3Very high94.8Very high0 Ų040.2 Ų40.20%019%0.194CC..  trans-79.9144.4172.9-570000110P35 V37 Y57 V64P35-C62 WeakPolarHBondContact O-CB 3.48Å; V37-C62 HydrophobicContact CG2-CB 4.01Å; Y57-C62 WeakPolarHBondContact O-CB 3.35Å; Y57-C62 PolarHBondContact O-N 3.31Å; C62-V64 HydrophobicContact CB-CG2 4.47Å
63I97.3Very high94.3Very high28 Ų2834.4 Ų34.414%0.14417%0.17CC..  trans-71133.1161.5-61.9171.1000106.8I10 E11 I12 V36 V37 I101I10-I63 HydrophobicContact CD1-CG2 4.06Å; I10-I63 HydrophobicContact CG1-CG2 4.07Å; E11-I63 WeakPolarHBondContact O-CA 3.43Å; I12-I63 HydrophobicContact CG1-CG2 4.37Å; I12-I63 HydrophobicContact CG2-CG1 4.48Å; V36-I63 WeakPolarHBondContact CA-O 3.28Å; V36-I63 HydrophobicContact CG1-CB 4.39Å; V36-I63 HydrophobicContact CG1-CG2 4.22Å; V36-I63 HydrophobicContact CG2-CB 4.24Å; V36-I63 HydrophobicContact CG2-CD1 4.44Å; V37-I63 PolarHBondContact N-O 3.45Å; I63-I101 HydrophobicContact CD1-CD1 4.5Å; I63-I101 HydrophobicContact CD1-CG2 3.88Å; I63-I101 HydrophobicContact CG2-CD1 4.26Å
64V98.2Very high93.4Very high0 Ų034 Ų340%017%0.169CC..EExtended strand (participates in β ladder)trans-124.1121.6179.6-167.90000110.5I10 E11 V37 L39 S54 H58 C62 R66I10-V64 WeakPolarHBondContact CA-O 3.46Å; E11-V64 PolarHBondContact N-O 3.41Å; E11-V64 PolarHBondContact O-N 3.5Å; V37-V64 HydrophobicContact CB-CG1 4.42Å; V37-V64 HydrophobicContact CB-CG2 4.46Å; V37-V64 CarbonylContact O-C 3.55Å; V37-V64 VanDerWaalsContact O-CA 3.29Å; V37-V64 WeakPolarHBondContact O-CA 3.06Å; L39-V64 HydrophobicContact CD1-CG1 4.05Å; L39-V64 HydrophobicContact CG-CG1 3.86Å; S54-V64 WeakPolarHBondContact OG-CB 3.37Å; S54-V64 VanDerWaalsContact OG-CG1 3.23Å; S54-V64 WeakPolarHBondContact OG-CG1 3.19Å; H58-V64 HydrophobicContact CB-CG2 4.03Å; C62-V64 HydrophobicContact CB-CG2 4.47Å; V64-R66 HydrophobicContact CG1-CG 4.42Å
65I98.1Very high92.3Very high0 Ų035 Ų350%017%0.173CC..EExtended strand (participates in β ladder)trans-101.5127.3171.9-61.1172.1000107.9S9 I10 V36 V37 I38 L39 L92 L96 I101S9-I65 CarbonylContact O-C 3.51Å; S9-I65 WeakPolarHBondContact O-CA 3.23Å; I10-I65 HydrophobicContact CB-CG1 4.47Å; I10-I65 HydrophobicContact CD1-CD1 4.35Å; I10-I65 HydrophobicContact CD1-CG1 3.95Å; I10-I65 HydrophobicContact CG1-CG1 3.94Å; V36-I65 HydrophobicContact CG1-CD1 4.11Å; V36-I65 HydrophobicContact CG1-CG1 4.41Å; V37-I65 PolarHBondContact O-N 3.36Å; I38-I65 CarbonylContact C-O 3.58Å; I38-I65 WeakPolarHBondContact CA-O 3.34Å; I38-I65 HydrophobicContact CG1-CB 4.37Å; L39-I65 PolarHBondContact N-O 3.04Å; I65-L92 HydrophobicContact CG2-CD1 3.97Å; I65-L96 HydrophobicContact CD1-CD2 4.04Å; I65-I101 HydrophobicContact CD1-CD1 4.37Å
66R97.9Very high91.2Very high19 Ų1936.3 Ų36.37%0.07217%0.173CC..EExtended strand (participates in β ladder)trans-112124.7176.6-68.6-178-85.71464.5109.3Y8 S9 E11 L39 D47 L50 V64Y8-R66 WeakPolarHBondContact CA-O 3.4Å; S9-R66 PolarHBondContact N-O 3.48Å; S9-R66 PolarHBondContact O-N 3.21Å; E11-R66 IonicContact OE1-CZ 3.86Å; E11-R66 VanDerWaalsContact OE1-CZ 3.25Å; E11-R66 IonicContact OE1-NE 3.4Å; E11-R66 PolarHBondContact OE1-NE 3.18Å; E11-R66 IonicContact OE1-NH2 2.78Å; E11-R66 PolarHBondContact OE1-NH2 3.08Å; L39-R66 HydrophobicContact CB-CG 4.29Å; L39-R66 HydrophobicContact CD1-CG 4Å; L39-R66 HydrophobicContact CG-CG 4.33Å; D47-R66 PolarHBondContact O-NH1 3.43Å; D47-R66 IonicContact OD1-CZ 3.61Å; D47-R66 IonicContact OD1-NE 3.88Å; D47-R66 IonicContact OD1-NH1 3.47Å; D47-R66 PolarHBondContact OD1-NH1 3.06Å; D47-R66 IonicContact OD1-NH2 3.03Å; D47-R66 IonicContact OD2-CZ 3.25Å; D47-R66 IonicContact OD2-NH1 2.7Å; D47-R66 PolarHBondContact OD2-NH1 3.37Å; D47-R66 IonicContact OD2-NH2 2.71Å; L50-R66 HydrophobicContact CB-CB 4.43Å; L50-R66 HydrophobicContact CB-CG 4.12Å; L50-R66 HydrophobicContact CD1-CB 4.15Å; V64-R66 HydrophobicContact CG1-CG 4.42Å
67Y96.8Very high89.9Confident7 Ų737 Ų373%0.02718%0.179CC..EExtended strand (participates in β ladder)trans-139.9136.6176179.8-111.7000110.9L6 D7 L39 L40 G41 A69 M88 L92 L118L6-Y67 HydrophobicContact CB-CE2 4.47Å; L6-Y67 HydrophobicContact CD2-CD2 4.16Å; L6-Y67 HydrophobicContact CD2-CE1 4.28Å; L6-Y67 HydrophobicContact CD2-CE2 3.39Å; L6-Y67 VanDerWaalsContact CD2-CZ 3.45Å; L6-Y67 WeakPolarHBondContact CD2-OH 3.29Å; L6-Y67 HydrophobicContact CG-CE2 4.49Å; D7-Y67 WeakPolarHBondContact O-CD2 3.34Å; L39-Y67 PolarHBondContact O-N 2.7Å; L39-Y67 VanDerWaalsContact O-O 3.14Å; L40-Y67 WeakPolarHBondContact CA-O 3.38Å; G41-Y67 PolarHBondContact N-O 3Å; Y67-A69 HydrophobicContact CE1-CB 4.24Å; Y67-M88 HydrophobicContact CE1-CB 4.37Å; Y67-M88 WeakPolarHBondContact OH-CB 3.25Å; Y67-L92 HydrophobicContact CD1-CD2 4.23Å; Y67-L92 HydrophobicContact CG-CD1 4.41Å; Y67-L118 HydrophobicContact CD1-CD2 3.49Å; Y67-L118 VanDerWaalsContact CD1-CD2 3.49Å; Y67-L118 HydrophobicContact CE1-CD1 4.46Å; Y67-L118 HydrophobicContact CE1-CD2 3.48Å; Y67-L118 VanDerWaalsContact CE1-CD2 3.48Å
68T94.6Very high88.4Confident31 Ų3138.5 Ų38.519%0.1919%0.186CC..  trans-124.3118.2172.5-59.40000108.6W42 C45 L50W42-T68 WeakPolarHBondContact O-CG2 3.32Å; C45-T68 HydrophobicContact CB-CG2 3.87Å; L50-T68 WeakPolarHBondContact CD1-OG1 3.48Å
69A91.6Very high86.9Confident6 Ų637.9 Ų37.95%0.0519%0.188CC..  trans-63.6141.4175.300000110.6Y67 W71 V74 L85Y67-A69 HydrophobicContact CE1-CB 4.24Å; A69-W71 PolarHBondContact O-N 3.34Å; A69-V74 HydrophobicContact CB-CG2 4.01Å; A69-L85 HydrophobicContact CB-CD2 3.72Å
70P89.6Confident85.4Confident46 Ų4634.3 Ų34.330%0.29918%0.177SC..  trans-57.2125.7175.6-23.332.7000111.1H72 M73 V74P70-H72 WeakPolarHBondContact CB-CE1 3.49Å; P70-H72 PolarHBondContact O-N 3.1Å; P70-H72 VanDerWaalsContact O-N 3.08Å; P70-M73 HydrophobicContact CB-CG 4.31Å; P70-M73 HydrophobicContact CB-SD 4.35Å; P70-M73 HydrophobicContact CG-CE 4.44Å; P70-M73 HydrophobicContact CG-SD 4Å; P70-M73 WeakPolarHBondContact O-CB 3.34Å; P70-M73 PolarHBondContact O-N 2.99Å; P70-V74 PolarHBondContact O-N 3.37Å
71W85.1Confident83.9Confident62 Ų6231.4 Ų31.424%0.23518%0.176CC..Hα-helixtrans-58.4-30.3-173.570.5-91000113.1A69 M73 V74 F75 F76 L158 I161 L162A69-W71 PolarHBondContact O-N 3.34Å; W71-M73 VanDerWaalsContact C-N 3.28Å; W71-M73 PolarHBondContact O-N 3.08Å; W71-V74 PolarHBondContact O-N 3.02Å; W71-F75 HydrophobicContact CB-CD2 4.4Å; W71-F75 HydrophobicContact CE3-CB 4.48Å; W71-F75 HydrophobicContact CE3-CD2 4.22Å; W71-F75 VanDerWaalsContact O-CD2 3.32Å; W71-F75 WeakPolarHBondContact O-CD2 3.39Å; W71-F75 PolarHBondContact O-N 2.96Å; W71-F76 HydrophobicContact CE3-CE2 4.25Å; W71-F76 AromaticContact CH2-CE2 3.74Å; W71-F76 HydrophobicContact CH2-CE2 3.74Å; W71-F76 HydrophobicContact CH2-CZ 4.41Å; W71-F76 HydrophobicContact CZ3-CD2 4.24Å; W71-F76 AromaticContact CZ3-CE2 3.33Å; W71-F76 HydrophobicContact CZ3-CE2 3.33Å; W71-F76 AromaticContact CZ3-CZ 3.98Å; W71-F76 HydrophobicContact CZ3-CZ 3.98Å; W71-L158 HydrophobicContact CE3-CD1 3.85Å; W71-L158 HydrophobicContact CH2-CD1 4.38Å; W71-L158 HydrophobicContact CZ3-CD1 3.49Å; W71-L158 VanDerWaalsContact CZ3-CD1 3.49Å; W71-I161 HydrophobicContact CB-CD1 4.16Å; W71-I161 HydrophobicContact CB-CG2 4.45Å; W71-I161 HydrophobicContact CD2-CG2 3.85Å; W71-I161 HydrophobicContact CE3-CG2 4.29Å; W71-I161 HydrophobicContact CG-CG2 3.89Å; W71-L162 HydrophobicContact CH2-CD2 3.98Å; W71-L162 HydrophobicContact CZ2-CD2 4.23Å
72H82.8Confident83Confident87 Ų8734.5 Ų34.540%0.40319%0.186SC..Hα-helixtrans-67.2-29176.962.9-93.7000112.6P70 F76 S77P70-H72 WeakPolarHBondContact CB-CE1 3.49Å; P70-H72 PolarHBondContact O-N 3.1Å; P70-H72 VanDerWaalsContact O-N 3.08Å; H72-F76 HydrophobicContact CB-CD2 3.96Å; H72-F76 HydrophobicContact CB-CE2 4.45Å; H72-F76 WeakPolarHBondContact O-CA 3.39Å; H72-F76 VanDerWaalsContact O-CB 3.28Å; H72-F76 WeakPolarHBondContact O-CB 3.45Å; H72-F76 PolarHBondContact O-N 3.03Å; H72-S77 PolarHBondContact O-N 2.89Å
73M83.4Confident82.1Confident30 Ų3037.6 Ų37.615%0.14821%0.205CC..Iπ-helixtrans-69.6-45.4172.4-68-179.9176.300110.4P70 W71 S77 E78 L85 M88P70-M73 HydrophobicContact CB-CG 4.31Å; P70-M73 HydrophobicContact CB-SD 4.35Å; P70-M73 HydrophobicContact CG-CE 4.44Å; P70-M73 HydrophobicContact CG-SD 4Å; P70-M73 WeakPolarHBondContact O-CB 3.34Å; P70-M73 PolarHBondContact O-N 2.99Å; W71-M73 VanDerWaalsContact C-N 3.28Å; W71-M73 PolarHBondContact O-N 3.08Å; M73-S77 WeakPolarHBondContact O-CB 3.42Å; M73-S77 PolarHBondContact O-N 3.02Å; M73-E78 WeakPolarHBondContact O-CG 3.44Å; M73-E78 PolarHBondContact O-N 3.34Å; M73-L85 HydrophobicContact CB-CD2 3.88Å; M73-L85 HydrophobicContact CB-CG 4.48Å; M73-M88 HydrophobicContact CE-CE 4.22Å; M73-M88 HydrophobicContact SD-CG 4.23Å
74V80.4Confident81.5Confident5 Ų537.2 Ų37.23%0.0321%0.205CC..Iπ-helixtrans-60.4-45.4178.21780000111.9A69 P70 W71 L85 M117A69-V74 HydrophobicContact CB-CG2 4.01Å; P70-V74 PolarHBondContact O-N 3.37Å; W71-V74 PolarHBondContact O-N 3.02Å; V74-L85 HydrophobicContact CG2-CD1 4.44Å; V74-L85 HydrophobicContact CG2-CD2 4.4Å; V74-M117 HydrophobicContact CG1-CE 4.44Å; V74-M117 HydrophobicContact CG1-SD 3.58Å; V74-M117 VanDerWaalsContact CG1-SD 3.58Å
75F74.2Confident81Confident22 Ų2237.2 Ų37.210%0.09621%0.205CC..Iπ-helixtrans-93.6-24.6-173.8-77.7-86.4000114.8W71 S79 A154 A157 L158 I161 F177W71-F75 HydrophobicContact CB-CD2 4.4Å; W71-F75 HydrophobicContact CE3-CB 4.48Å; W71-F75 HydrophobicContact CE3-CD2 4.22Å; W71-F75 VanDerWaalsContact O-CD2 3.32Å; W71-F75 WeakPolarHBondContact O-CD2 3.39Å; W71-F75 PolarHBondContact O-N 2.96Å; F75-S79 PolarHBondContact O-OG 3.22Å; F75-S79 VanDerWaalsContact O-OG 3.11Å; F75-A154 HydrophobicContact CE1-CB 4.37Å; F75-A154 WeakPolarHBondContact CE1-O 3.31Å; F75-A157 HydrophobicContact CE1-CB 4.36Å; F75-A157 HydrophobicContact CZ-CB 3.81Å; F75-L158 HydrophobicContact CD1-CB 4.33Å; F75-L158 HydrophobicContact CE1-CB 4.08Å; F75-L158 HydrophobicContact CG-CD1 4.47Å; F75-I161 HydrophobicContact CD2-CD1 4.16Å; F75-I161 HydrophobicContact CE2-CD1 3.4Å; F75-I161 HydrophobicContact CZ-CD1 3.99Å; F75-F177 HydrophobicContact CB-CE2 4.35Å; F75-F177 HydrophobicContact CD1-CE2 4.1Å; F75-F177 AromaticContact CD1-CZ 3.97Å; F75-F177 HydrophobicContact CD1-CZ 3.97Å; F75-F177 VanDerWaalsContact O-CE2 3.26Å; F75-F177 WeakPolarHBondContact O-CE2 3.35Å
76F73.7Confident80.7Confident58 Ų5841.1 Ų41.125%0.25422%0.22SC..Iπ-helixtrans-117.7-51-176.4-56.6-69.4000112.7W71 H72 E78 S79 L80 F177W71-F76 HydrophobicContact CE3-CE2 4.25Å; W71-F76 AromaticContact CH2-CE2 3.74Å; W71-F76 HydrophobicContact CH2-CE2 3.74Å; W71-F76 HydrophobicContact CH2-CZ 4.41Å; W71-F76 HydrophobicContact CZ3-CD2 4.24Å; W71-F76 AromaticContact CZ3-CE2 3.33Å; W71-F76 HydrophobicContact CZ3-CE2 3.33Å; W71-F76 AromaticContact CZ3-CZ 3.98Å; W71-F76 HydrophobicContact CZ3-CZ 3.98Å; H72-F76 HydrophobicContact CB-CD2 3.96Å; H72-F76 HydrophobicContact CB-CE2 4.45Å; H72-F76 WeakPolarHBondContact O-CA 3.39Å; H72-F76 VanDerWaalsContact O-CB 3.28Å; H72-F76 WeakPolarHBondContact O-CB 3.45Å; H72-F76 PolarHBondContact O-N 3.03Å; F76-E78 PolarHBondContact O-N 3.39Å; F76-S79 PolarHBondContact O-N 2.85Å; F76-L80 WeakPolarHBondContact O-CB 3.37Å; F76-L80 VanDerWaalsContact O-CG 3.24Å; F76-L80 WeakPolarHBondContact O-CG 3.19Å; F76-L80 PolarHBondContact O-N 2.95Å; F76-F177 HydrophobicContact CD1-CD2 4.3Å; F76-F177 HydrophobicContact CE1-CB 4.31Å; F76-F177 AromaticContact CE1-CD2 3.99Å; F76-F177 HydrophobicContact CE1-CD2 3.99Å
77S69.9Low80.4Confident24 Ų2443.8 Ų43.817%0.16824%0.239CC..Iπ-helixtrans-62.5-43.8-176.4-57.40000111.9H72 M73 L80 G81 I82 S84H72-S77 PolarHBondContact O-N 2.89Å; M73-S77 WeakPolarHBondContact O-CB 3.42Å; M73-S77 PolarHBondContact O-N 3.02Å; S77-L80 CarbonylContact O-C 3.57Å; S77-L80 PolarHBondContact O-N 2.64Å; S77-G81 PolarHBondContact O-N 2.86Å; S77-I82 CarbonylContact C-O 3.51Å; S77-I82 WeakPolarHBondContact O-CB 3.46Å; S77-I82 PolarHBondContact O-N 3.1Å; S77-S84 WeakPolarHBondContact CB-OG 3.26Å
78E67.8Low80.3Confident30 Ų3044.2 Ų44.214%0.1424%0.241CC..THydrogen-bonded Turntrans-63.8-44175.9-68.8-63128.100112.3M73 F76 L80 G81 L85 R120M73-E78 WeakPolarHBondContact O-CG 3.44Å; M73-E78 PolarHBondContact O-N 3.34Å; F76-E78 PolarHBondContact O-N 3.39Å; E78-L80 PolarHBondContact O-N 2.65Å; E78-G81 PolarHBondContact O-N 2.88Å; E78-L85 HydrophobicContact CG-CD1 3.51Å; E78-L85 HydrophobicContact CG-CG 4.05Å; E78-L85 WeakPolarHBondContact OE1-CG 3.21Å; E78-R120 IonicContact OE2-CZ 3.71Å; E78-R120 IonicContact OE2-NE 3.94Å; E78-R120 IonicContact OE2-NH2 3.95Å; E78-R120 PolarHBondContact OE2-NH2 3.04Å
79S63.5Low80.3Confident47 Ų4742.7 Ų42.733%0.32923%0.232SC..THydrogen-bonded Turntrans-62.3-32.2176.7-59.30000112.3F75 F76 G81 L184F75-S79 PolarHBondContact O-OG 3.22Å; F75-S79 VanDerWaalsContact O-OG 3.11Å; F76-S79 PolarHBondContact O-N 2.85Å; S79-G81 PolarHBondContact O-N 2.79Å; S79-L184 WeakPolarHBondContact O-CD1 3.37Å
80L63.5Low80.5Confident102 Ų10244.9 Ų44.953%0.53424%0.241SC..THydrogen-bonded Turntrans-83.26.1175.3-64.6172.6000113.4F76 S77 E78 I82 V180 L184F76-L80 WeakPolarHBondContact O-CB 3.37Å; F76-L80 VanDerWaalsContact O-CG 3.24Å; F76-L80 WeakPolarHBondContact O-CG 3.19Å; F76-L80 PolarHBondContact O-N 2.95Å; S77-L80 CarbonylContact O-C 3.57Å; S77-L80 PolarHBondContact O-N 2.64Å; E78-L80 PolarHBondContact O-N 2.65Å; L80-I82 HydrophobicContact CB-CD1 4.28Å; L80-I82 HydrophobicContact CB-CG1 4.29Å; L80-I82 PolarHBondContact O-N 3.5Å; L80-V180 HydrophobicContact CD2-CG1 4.4Å; L80-L184 HydrophobicContact CD2-CD1 4.41Å
81G64.6Low80.8Confident31 Ų3144.6 Ų44.632%0.3224%0.235SC..THydrogen-bonded Turntrans72.812.4179.700000114.5S77 E78 S79 P83S77-G81 PolarHBondContact O-N 2.86Å; E78-G81 PolarHBondContact O-N 2.88Å; S79-G81 PolarHBondContact O-N 2.79Å; G81-P83 WeakPolarHBondContact O-CD 3.16Å
82I73.6Confident81.4Confident90 Ų9041.6 Ų41.646%0.46222%0.224SC..  trans-87.8113.7179.4-56.5173.9000108.3S77 L80 S84S77-I82 CarbonylContact C-O 3.51Å; S77-I82 WeakPolarHBondContact O-CB 3.46Å; S77-I82 PolarHBondContact O-N 3.1Å; L80-I82 HydrophobicContact CB-CD1 4.28Å; L80-I82 HydrophobicContact CB-CG1 4.29Å; L80-I82 PolarHBondContact O-N 3.5Å; I82-S84 PolarHBondContact O-N 2.8Å
83P76.9Confident82.1Confident64 Ų6437.5 Ų37.542%0.41620%0.204SC..  trans-78.846.3-172.835.4-38.8000112.7G81 L85 R86 Y121G81-P83 WeakPolarHBondContact O-CD 3.16Å; P83-L85 PolarHBondContact O-N 2.98Å; P83-R86 HydrophobicContact CB-CB 4.28Å; P83-R86 VanDerWaalsContact O-CB 3.22Å; P83-R86 WeakPolarHBondContact O-CB 3.35Å; P83-R86 PolarHBondContact O-N 3.09Å; P83-Y121 VanDerWaalsContact CA-OH 3.32Å; P83-Y121 WeakPolarHBondContact CA-OH 3.49Å; P83-Y121 HydrophobicContact CB-CE1 4.31Å; P83-Y121 WeakPolarHBondContact CB-OH 3.46Å
84S84.6Confident82.7Confident20 Ų2038.8 Ų38.814%0.1421%0.21CC..Hα-helixtrans-59.8-33.8-177.560.80000112.4S77 I82 R86 V87 M88S77-S84 WeakPolarHBondContact CB-OG 3.26Å; I82-S84 PolarHBondContact O-N 2.8Å; S84-R86 VanDerWaalsContact C-N 3.25Å; S84-R86 PolarHBondContact O-N 3.45Å; S84-V87 PolarHBondContact O-N 3.45Å; S84-M88 PolarHBondContact O-N 3.39Å
85L89.1Confident83.5Confident0 Ų039.1 Ų39.10%021%0.212CC..Hα-helixtrans-67.5-25176.4-64.5-178.3000112.6A69 M73 V74 E78 P83 V87 M88 A89 M117 L118 Y121A69-L85 HydrophobicContact CB-CD2 3.72Å; M73-L85 HydrophobicContact CB-CD2 3.88Å; M73-L85 HydrophobicContact CB-CG 4.48Å; V74-L85 HydrophobicContact CG2-CD1 4.44Å; V74-L85 HydrophobicContact CG2-CD2 4.4Å; E78-L85 HydrophobicContact CG-CD1 3.51Å; E78-L85 HydrophobicContact CG-CG 4.05Å; E78-L85 WeakPolarHBondContact OE1-CG 3.21Å; P83-L85 PolarHBondContact O-N 2.98Å; L85-V87 VanDerWaalsContact C-N 3.33Å; L85-V87 PolarHBondContact O-N 2.78Å; L85-M88 PolarHBondContact O-N 3.12Å; L85-A89 WeakPolarHBondContact O-CB 3.36Å; L85-A89 PolarHBondContact O-N 3.1Å; L85-M117 HydrophobicContact CD1-CB 3.83Å; L85-L118 HydrophobicContact CB-CD1 4.13Å; L85-L118 HydrophobicContact CD2-CD1 4.37Å; L85-L118 WeakPolarHBondContact O-CD1 3.31Å; L85-Y121 HydrophobicContact CB-CD2 3.63Å; L85-Y121 HydrophobicContact CB-CE2 3.72Å
86R91.3Very high84.5Confident82 Ų8238 Ų3831%0.30921%0.207SC..Hα-helixtrans-62.4-42175.4-167.4175.8179.8-85.2-0.7111.8P83 S84 M88 A89 Q90 Y121 E124P83-R86 HydrophobicContact CB-CB 4.28Å; P83-R86 VanDerWaalsContact O-CB 3.22Å; P83-R86 WeakPolarHBondContact O-CB 3.35Å; P83-R86 PolarHBondContact O-N 3.09Å; S84-R86 VanDerWaalsContact C-N 3.25Å; S84-R86 PolarHBondContact O-N 3.45Å; R86-M88 VanDerWaalsContact C-N 3.32Å; R86-A89 PolarHBondContact O-N 3.25Å; R86-Q90 WeakPolarHBondContact O-CB 3.49Å; R86-Q90 PolarHBondContact O-N 2.95Å; R86-Y121 HydrophobicContact CB-CD1 3.54Å; R86-Y121 HydrophobicContact CB-CD2 4.3Å; R86-Y121 HydrophobicContact CB-CE1 3.64Å; R86-Y121 HydrophobicContact CB-CE2 4.37Å; R86-Y121 HydrophobicContact CB-CG 3.87Å; R86-Y121 HydrophobicContact CG-CD1 3.65Å; R86-Y121 HydrophobicContact CG-CE1 4Å; R86-Y121 HydrophobicContact CG-CG 4.23Å; R86-E124 IonicContact CZ-OE1 2.78Å; R86-E124 IonicContact NE-OE1 2.65Å; R86-E124 PolarHBondContact NE-OE1 3.25Å; R86-E124 IonicContact NH2-OE1 3.61Å
87V91.6Very high85.6Confident76 Ų7636.7 Ų36.746%0.46120%0.201SC..Hα-helixtrans-64.5-40.7176.5178.40000110.3S84 L85 Q90 K91S84-V87 PolarHBondContact O-N 3.45Å; L85-V87 VanDerWaalsContact C-N 3.33Å; L85-V87 PolarHBondContact O-N 2.78Å; V87-Q90 PolarHBondContact O-N 3.13Å; V87-K91 WeakPolarHBondContact O-CG 3.45Å; V87-K91 PolarHBondContact O-N 3.32Å
88M93.8Very high86.8Confident15 Ų1540.9 Ų40.97%0.07422%0.222CC..Hα-helixtrans-66.8-42.1177.3-61.3-57.7138.400112.1A4 L6 Y67 M73 S84 L85 R86 Q90 K91 L92 L118A4-M88 HydrophobicContact CB-CE 4.37Å; L6-M88 HydrophobicContact CD2-CB 4.29Å; L6-M88 HydrophobicContact CD2-SD 3.73Å; Y67-M88 HydrophobicContact CE1-CB 4.37Å; Y67-M88 WeakPolarHBondContact OH-CB 3.25Å; M73-M88 HydrophobicContact CE-CE 4.22Å; M73-M88 HydrophobicContact SD-CG 4.23Å; S84-M88 PolarHBondContact O-N 3.39Å; L85-M88 PolarHBondContact O-N 3.12Å; R86-M88 VanDerWaalsContact C-N 3.32Å; M88-Q90 VanDerWaalsContact C-N 3.34Å; M88-Q90 PolarHBondContact O-N 3.19Å; M88-K91 PolarHBondContact O-N 3.23Å; M88-L92 WeakPolarHBondContact O-CB 3.39Å; M88-L92 PolarHBondContact O-N 3.41Å; M88-L118 HydrophobicContact CB-CD1 4.06Å
89A95.6Very high88Confident0 Ų043.6 Ų43.60%023%0.231CC..Hα-helixtrans-61.4-42.2175.300000111.7L85 R86 L92 L93 L118 V122 L125L85-A89 WeakPolarHBondContact O-CB 3.36Å; L85-A89 PolarHBondContact O-N 3.1Å; R86-A89 PolarHBondContact O-N 3.25Å; A89-L92 PolarHBondContact O-N 2.99Å; A89-L93 WeakPolarHBondContact O-CG 3.44Å; A89-L93 PolarHBondContact O-N 3.43Å; A89-L118 HydrophobicContact CB-CD1 3.9Å; A89-V122 HydrophobicContact CB-CG2 3.87Å; A89-L125 HydrophobicContact CB-CD1 3.82Å
90Q96.1Very high89.5Confident52 Ų5249.4 Ų49.424%0.24325%0.253CS..Hα-helixtrans-60.6-52175.7175.4174.7-1800111.3R86 V87 M88 L92 L93 E94 L125 F132R86-Q90 WeakPolarHBondContact O-CB 3.49Å; R86-Q90 PolarHBondContact O-N 2.95Å; V87-Q90 PolarHBondContact O-N 3.13Å; M88-Q90 VanDerWaalsContact C-N 3.34Å; M88-Q90 PolarHBondContact O-N 3.19Å; Q90-L92 PolarHBondContact O-N 3.4Å; Q90-L93 PolarHBondContact O-N 2.86Å; Q90-L93 VanDerWaalsContact O-N 3.14Å; Q90-E94 HydrophobicContact CG-CG 4.48Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.4Å; Q90-E94 PolarHBondContact NE2-OE1 3.1Å; Q90-E94 WeakPolarHBondContact O-CG 3.44Å; Q90-E94 PolarHBondContact O-N 3.04Å; Q90-L125 HydrophobicContact CB-CD1 3.84Å; Q90-F132 HydrophobicContact CG-CE2 4.05Å; Q90-F132 HydrophobicContact CG-CZ 4.08Å
91K95.3Very high91Very high39 Ų3945.5 Ų45.517%0.1723%0.232CC..Hα-helixtrans-59.4-35.7178.4-70.2-177.4174.3-160.50112.1S3 A4 L6 V87 M88 E94 L95S3-K91 PolarHBondContact OG-NZ 2.74Å; A4-K91 PolarHBondContact O-NZ 3.08Å; L6-K91 HydrophobicContact CD1-CB 3.31Å; L6-K91 HydrophobicContact CD2-CB 4.32Å; L6-K91 HydrophobicContact CG-CB 3.76Å; L6-K91 HydrophobicContact CG-CD 4.17Å; V87-K91 WeakPolarHBondContact O-CG 3.45Å; V87-K91 PolarHBondContact O-N 3.32Å; M88-K91 PolarHBondContact O-N 3.23Å; K91-E94 WeakPolarHBondContact O-CB 3.35Å; K91-E94 PolarHBondContact O-N 2.84Å; K91-L95 PolarHBondContact O-N 3.27Å
92L97Very high92.4Very high0 Ų045.7 Ų45.70%023%0.225CC..Hα-helixtrans-65.6-40.8178.3177.964.9000111.3L6 I38 L40 I65 Y67 M88 A89 Q90 L95 L118L6-L92 HydrophobicContact CD1-CB 4.38Å; I38-L92 HydrophobicContact CG2-CD1 4.45Å; I38-L92 HydrophobicContact CG2-CD2 4.1Å; L40-L92 HydrophobicContact CD2-CD2 3.57Å; I65-L92 HydrophobicContact CG2-CD1 3.97Å; Y67-L92 HydrophobicContact CD1-CD2 4.23Å; Y67-L92 HydrophobicContact CG-CD1 4.41Å; M88-L92 WeakPolarHBondContact O-CB 3.39Å; M88-L92 PolarHBondContact O-N 3.41Å; A89-L92 PolarHBondContact O-N 2.99Å; Q90-L92 PolarHBondContact O-N 3.4Å; L92-L95 HydrophobicContact CD1-CD1 4.16Å; L92-L95 WeakPolarHBondContact O-CB 3.47Å; L92-L95 PolarHBondContact O-N 3.46Å; L92-L118 HydrophobicContact CD2-CD2 4.46Å
93L97.5Very high93.3Very high0 Ų050.6 Ų50.60%024%0.238CC..Hα-helixtrans-70.5-31.7174.5-66.6178.7000112.3A89 Q90 L95 L96 F97 F108 V122 L125 F132 L135A89-L93 WeakPolarHBondContact O-CG 3.44Å; A89-L93 PolarHBondContact O-N 3.43Å; Q90-L93 PolarHBondContact O-N 2.86Å; Q90-L93 VanDerWaalsContact O-N 3.14Å; L93-L95 VanDerWaalsContact C-N 3.26Å; L93-L95 PolarHBondContact O-N 3.05Å; L93-L96 HydrophobicContact CD2-CD1 4.18Å; L93-L96 WeakPolarHBondContact O-CB 3.38Å; L93-L96 PolarHBondContact O-N 2.96Å; L93-F97 WeakPolarHBondContact O-CD2 3.27Å; L93-F108 HydrophobicContact CD2-CZ 4.47Å; L93-V122 HydrophobicContact CD1-CG1 4.38Å; L93-V122 HydrophobicContact CD2-CG1 4.13Å; L93-L125 HydrophobicContact CD1-CB 3.98Å; L93-L125 HydrophobicContact CD1-CD1 4.43Å; L93-F132 HydrophobicContact CB-CD1 3.98Å; L93-F132 HydrophobicContact CB-CD2 4.35Å; L93-F132 HydrophobicContact CB-CE1 3.81Å; L93-F132 HydrophobicContact CB-CE2 4.2Å; L93-F132 HydrophobicContact CB-CG 4.27Å; L93-F132 HydrophobicContact CB-CZ 3.93Å; L93-F132 HydrophobicContact CD1-CB 4.25Å; L93-F132 HydrophobicContact CD1-CD1 4.43Å; L93-F132 HydrophobicContact CD1-CD2 3.69Å; L93-F132 HydrophobicContact CD1-CE2 4.12Å; L93-F132 HydrophobicContact CD1-CG 3.88Å; L93-L135 HydrophobicContact CB-CD1 4.48Å; L93-L135 HydrophobicContact CD2-CD1 3.9Å
94E96.6Very high94.1Very high58 Ų5848.6 Ų48.627%0.27122%0.223SC..Hα-helixtrans-61-34174.5-73.5167.8177.100112.1Q90 K91 L96 F97 D98 F132Q90-E94 HydrophobicContact CG-CG 4.48Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.4Å; Q90-E94 PolarHBondContact NE2-OE1 3.1Å; Q90-E94 WeakPolarHBondContact O-CG 3.44Å; Q90-E94 PolarHBondContact O-N 3.04Å; K91-E94 WeakPolarHBondContact O-CB 3.35Å; K91-E94 PolarHBondContact O-N 2.84Å; E94-L96 PolarHBondContact O-N 3.31Å; E94-L96 VanDerWaalsContact O-N 3.13Å; E94-F97 WeakPolarHBondContact O-CB 3.36Å; E94-F97 PolarHBondContact O-N 2.57Å; E94-D98 PolarHBondContact O-N 3Å; E94-D98 VanDerWaalsContact O-N 3.1Å; E94-F132 HydrophobicContact CG-CE1 4.32Å; E94-F132 HydrophobicContact CG-CZ 4Å
95L96.4Very high94.7Very high11 Ų1148.2 Ų48.26%0.05822%0.22CC..Hα-helixtrans-55.2-33.6175.1-62.9-178.6000113L6 Y8 K91 L92 L93 F97 D98 Y99L6-L95 HydrophobicContact CD1-CD1 4.31Å; L6-L95 HydrophobicContact CD1-CG 4.49Å; Y8-L95 HydrophobicContact CD1-CD1 3.77Å; Y8-L95 HydrophobicContact CD1-CD2 4.38Å; Y8-L95 HydrophobicContact CD2-CD1 3.73Å; Y8-L95 HydrophobicContact CE1-CD1 3.85Å; Y8-L95 HydrophobicContact CE1-CD2 3.69Å; Y8-L95 HydrophobicContact CE1-CG 4.44Å; Y8-L95 HydrophobicContact CE2-CD1 3.81Å; Y8-L95 HydrophobicContact CE2-CD2 4.34Å; Y8-L95 HydrophobicContact CG-CD1 3.72Å; K91-L95 PolarHBondContact O-N 3.27Å; L92-L95 HydrophobicContact CD1-CD1 4.16Å; L92-L95 WeakPolarHBondContact O-CB 3.47Å; L92-L95 PolarHBondContact O-N 3.46Å; L93-L95 VanDerWaalsContact C-N 3.26Å; L93-L95 PolarHBondContact O-N 3.05Å; L95-F97 PolarHBondContact O-N 3.04Å; L95-D98 PolarHBondContact O-N 2.88Å; L95-Y99 HydrophobicContact CB-CD2 4.39Å; L95-Y99 HydrophobicContact CD2-CE2 4.44Å; L95-Y99 VanDerWaalsContact O-CD2 3.3Å; L95-Y99 WeakPolarHBondContact O-CD2 3.24Å; L95-Y99 PolarHBondContact O-N 3.13Å
96L96.8Very high95.1Very high0 Ų048.2 Ų48.20%022%0.22CC..Hα-helixtrans-61.8-31.6179.3-60.6174.9000111.9V36 I38 I65 L93 E94 E100 I101 E102 L106 L135V36-L96 HydrophobicContact CG1-CD2 4.28Å; I38-L96 HydrophobicContact CD1-CD2 4.31Å; I65-L96 HydrophobicContact CD1-CD2 4.04Å; L93-L96 HydrophobicContact CD2-CD1 4.18Å; L93-L96 WeakPolarHBondContact O-CB 3.38Å; L93-L96 PolarHBondContact O-N 2.96Å; E94-L96 PolarHBondContact O-N 3.31Å; E94-L96 VanDerWaalsContact O-N 3.13Å; L96-E100 PolarHBondContact O-N 2.79Å; L96-I101 HydrophobicContact CB-CG1 4.43Å; L96-I101 HydrophobicContact CD2-CD1 4.02Å; L96-I101 HydrophobicContact CD2-CG1 3.99Å; L96-I101 CarbonylContact O-C 3.53Å; L96-I101 WeakPolarHBondContact O-CG1 3.43Å; L96-I101 PolarHBondContact O-N 2.93Å; L96-E102 HydrophobicContact CB-CB 4.31Å; L96-E102 PolarHBondContact O-N 3.42Å; L96-E102 VanDerWaalsContact O-N 3.09Å; L96-L106 HydrophobicContact CD1-CD1 3.59Å; L96-L106 HydrophobicContact CD1-CD2 3.96Å; L96-L106 HydrophobicContact CD1-CG 4.44Å; L96-L106 HydrophobicContact CD2-CD2 4.01Å; L96-L135 HydrophobicContact CD1-CD1 3.81Å; L96-L135 HydrophobicContact CD1-CD2 3.94Å
97F95.9Very high95.5Very high30 Ų3044.3 Ų44.313%0.13221%0.205CC..Hα-helixtrans-83-38.6176.4-60.5-93.4000111.5L93 E94 L95 Y99 E100 E102 R131 F132 H134 L135L93-F97 WeakPolarHBondContact O-CD2 3.27Å; E94-F97 WeakPolarHBondContact O-CB 3.36Å; E94-F97 PolarHBondContact O-N 2.57Å; L95-F97 PolarHBondContact O-N 3.04Å; F97-Y99 PolarHBondContact O-N 3.5Å; F97-E100 PolarHBondContact O-N 3.18Å; F97-E102 HydrophobicContact CD1-CB 3.93Å; F97-E102 HydrophobicContact CD1-CG 3.85Å; F97-E102 HydrophobicContact CE1-CB 3.82Å; F97-E102 HydrophobicContact CE1-CG 3.75Å; F97-E102 HydrophobicContact CE2-CB 4.41Å; F97-E102 HydrophobicContact CG-CB 4.29Å; F97-E102 HydrophobicContact CZ-CB 4.05Å; F97-E102 HydrophobicContact CZ-CG 4.43Å; F97-R131 VanDerWaalsContact CB-NH2 3.27Å; F97-R131 HydrophobicContact CE1-CG 3.99Å; F97-R131 HydrophobicContact CE2-CG 4.22Å; F97-R131 HydrophobicContact CZ-CG 3.79Å; F97-R131 VanDerWaalsContact CZ-O 3.25Å; F97-R131 WeakPolarHBondContact CZ-O 3.45Å; F97-F132 HydrophobicContact CD2-CE1 4.34Å; F97-F132 AromaticContact CE2-CD1 3.62Å; F97-F132 HydrophobicContact CE2-CD1 3.62Å; F97-F132 AromaticContact CE2-CE1 3.69Å; F97-F132 HydrophobicContact CE2-CE1 3.69Å; F97-F132 HydrophobicContact CZ-CD1 4.08Å; F97-F132 HydrophobicContact CZ-CE1 4.45Å; F97-H134 AromaticContact CE1-CE1 3.57Å; F97-H134 AromaticContact CE1-NE2 3.39Å; F97-H134 WeakPolarHBondContact CE1-NE2 3.48Å; F97-H134 AromaticContact CZ-CE1 3.68Å; F97-H134 AromaticContact CZ-NE2 3.59Å; F97-L135 HydrophobicContact CE2-CD2 4.27Å; F97-L135 HydrophobicContact CZ-CD2 4.09Å
98D94.7Very high95.8Very high112 Ų11240.7 Ų40.760%0.59918%0.183SC*.Hα-helixtrans-62.9-33.3179.9-63.9-18.1000111.8E94 L95E94-D98 PolarHBondContact O-N 3Å; E94-D98 VanDerWaalsContact O-N 3.1Å; L95-D98 PolarHBondContact O-N 2.88Å
99Y94.4Very high96Very high87 Ų8740 Ų4034%0.34118%0.18SC..THydrogen-bonded Turntrans-93.12.9174.4-72.5-78000114.1Y8 I10 I12 L95 F97 I101Y8-Y99 HydrophobicContact CE2-CE2 4.03Å; Y8-Y99 WeakPolarHBondContact OH-CE2 3.48Å; Y8-Y99 PolarHBondContact OH-OH 2.89Å; I10-Y99 HydrophobicContact CD1-CD1 4.21Å; I10-Y99 HydrophobicContact CD1-CD2 3.97Å; I10-Y99 HydrophobicContact CD1-CE1 4.25Å; I10-Y99 HydrophobicContact CD1-CE2 4.04Å; I10-Y99 HydrophobicContact CD1-CG 4.08Å; I10-Y99 HydrophobicContact CG2-CE1 4.39Å; I12-Y99 HydrophobicContact CD1-CD1 4.45Å; L95-Y99 HydrophobicContact CB-CD2 4.39Å; L95-Y99 HydrophobicContact CD2-CE2 4.44Å; L95-Y99 VanDerWaalsContact O-CD2 3.3Å; L95-Y99 WeakPolarHBondContact O-CD2 3.24Å; L95-Y99 PolarHBondContact O-N 3.13Å; F97-Y99 PolarHBondContact O-N 3.5Å; Y99-I101 VanDerWaalsContact C-N 3.3Å; Y99-I101 PolarHBondContact O-N 2.86Å
100E94.7Very high96.2Very high169 Ų16940 Ų4079%0.7918%0.18SC*.THydrogen-bonded Turntrans56.237.9-178.8-55-178.1-172.600114.2L96 F97 E102L96-E100 PolarHBondContact O-N 2.79Å; F97-E100 PolarHBondContact O-N 3.18Å; E100-E102 VanDerWaalsContact C-OE2 3.3Å; E100-E102 WeakPolarHBondContact CA-OE2 3.5Å
101I94.6Very high96.3Very high19 Ų1937.5 Ų37.510%0.09717%0.168CC..  trans-115.713.218062.5178.9000112.9V36 I63 I65 L96 Y99 R103 E104V36-I101 HydrophobicContact CG1-CD1 4.02Å; V36-I101 HydrophobicContact CG2-CB 4.21Å; V36-I101 HydrophobicContact CG2-CD1 3.83Å; V36-I101 HydrophobicContact CG2-CG1 4.3Å; I63-I101 HydrophobicContact CD1-CD1 4.5Å; I63-I101 HydrophobicContact CD1-CG2 3.88Å; I63-I101 HydrophobicContact CG2-CD1 4.26Å; I65-I101 HydrophobicContact CD1-CD1 4.37Å; L96-I101 HydrophobicContact CB-CG1 4.43Å; L96-I101 HydrophobicContact CD2-CD1 4.02Å; L96-I101 HydrophobicContact CD2-CG1 3.99Å; L96-I101 CarbonylContact O-C 3.53Å; L96-I101 WeakPolarHBondContact O-CG1 3.43Å; L96-I101 PolarHBondContact O-N 2.93Å; Y99-I101 VanDerWaalsContact C-N 3.3Å; Y99-I101 PolarHBondContact O-N 2.86Å; I101-R103 PolarHBondContact O-N 3.22Å; I101-R103 VanDerWaalsContact O-N 3.12Å; I101-E104 HydrophobicContact CB-CG 4.42Å; I101-E104 WeakPolarHBondContact O-CB 3.44Å; I101-E104 PolarHBondContact O-N 2.83Å; I101-E104 VanDerWaalsContact O-N 3.08Å
102E94.3Very high96.3Very high35 Ų3536.1 Ų36.116%0.16416%0.163CC..THydrogen-bonded Turntrans-64.7-17.2-177.376.9-72.3169.200113.9L96 F97 E100 L135L96-E102 HydrophobicContact CB-CB 4.31Å; L96-E102 PolarHBondContact O-N 3.42Å; L96-E102 VanDerWaalsContact O-N 3.09Å; F97-E102 HydrophobicContact CD1-CB 3.93Å; F97-E102 HydrophobicContact CD1-CG 3.85Å; F97-E102 HydrophobicContact CE1-CB 3.82Å; F97-E102 HydrophobicContact CE1-CG 3.75Å; F97-E102 HydrophobicContact CE2-CB 4.41Å; F97-E102 HydrophobicContact CG-CB 4.29Å; F97-E102 HydrophobicContact CZ-CB 4.05Å; F97-E102 HydrophobicContact CZ-CG 4.43Å; E100-E102 VanDerWaalsContact C-OE2 3.3Å; E100-E102 WeakPolarHBondContact CA-OE2 3.5Å; E102-L135 HydrophobicContact CB-CD2 3.81Å; E102-L135 WeakPolarHBondContact O-CD2 3.4Å
103R92.6Very high96Very high194 Ų19437.2 Ų37.273%0.73217%0.169SC*.THydrogen-bonded Turntrans-89.4-8.8178.1-59.3-177.5-176.1-171.1-3113.5I101I101-R103 PolarHBondContact O-N 3.22Å; I101-R103 VanDerWaalsContact O-N 3.12Å
104E93.9Very high95.6Very high21 Ų2137.5 Ų37.510%0.09817%0.172CC..SBendtrans-81.3148.9179.7-61.8-49.1127.700111.3W18 R33 V36 I101 L106W18-E104 WeakPolarHBondContact CH2-OE1 3.19Å; W18-E104 HydrophobicContact CZ2-CG 4.44Å; W18-E104 WeakPolarHBondContact CZ2-OE1 3.26Å; R33-E104 WeakPolarHBondContact CD-OE2 3.28Å; R33-E104 IonicContact NH1-OE1 3.05Å; R33-E104 PolarHBondContact NH1-OE1 3.12Å; R33-E104 IonicContact NH1-OE2 2.88Å; V36-E104 HydrophobicContact CG2-CB 3.8Å; V36-E104 HydrophobicContact CG2-CG 4.47Å; I101-E104 HydrophobicContact CB-CG 4.42Å; I101-E104 WeakPolarHBondContact O-CB 3.44Å; I101-E104 PolarHBondContact O-N 2.83Å; I101-E104 VanDerWaalsContact O-N 3.08Å; E104-L106 PolarHBondContact O-N 2.97Å
105P96.4Very high95.6Very high13 Ų1334.8 Ų34.88%0.08416%0.16CC..  trans-57.9139.5173.6-2132.5000111R33 P35 V36 H136 V138 V275R33-P105 HydrophobicContact CB-CG 4.11Å; P35-P105 CarbonylContact C-O 3.57Å; P35-P105 WeakPolarHBondContact CA-O 3.32Å; P35-P105 HydrophobicContact CB-CB 4.11Å; P35-P105 VanDerWaalsContact CB-O 3.28Å; P35-P105 WeakPolarHBondContact CB-O 3.11Å; V36-P105 PolarHBondContact N-O 2.79Å; P105-H136 CarbonylContact C-O 3.5Å; P105-V138 HydrophobicContact CB-CG1 3.73Å; P105-V138 HydrophobicContact CB-CG2 4Å; P105-V275 HydrophobicContact CB-CG1 4.32Å
106L98Very high95.4Very high0 Ų034.3 Ų34.30%016%0.157CC..EExtended strand (participates in β ladder)trans-108.3129.5-179.8-54.7-179.3000111V36 L96 E104 F108 L135 H136 V137 V138V36-L106 HydrophobicContact CB-CD2 3.92Å; V36-L106 HydrophobicContact CG2-CD2 4.5Å; L96-L106 HydrophobicContact CD1-CD1 3.59Å; L96-L106 HydrophobicContact CD1-CD2 3.96Å; L96-L106 HydrophobicContact CD1-CG 4.44Å; L96-L106 HydrophobicContact CD2-CD2 4.01Å; E104-L106 PolarHBondContact O-N 2.97Å; L106-F108 HydrophobicContact CB-CE2 4.3Å; L106-L135 HydrophobicContact CD1-CB 3.91Å; L106-L135 HydrophobicContact CD1-CD1 4.3Å; L106-L135 HydrophobicContact CD1-CD2 4.41Å; L106-L135 HydrophobicContact CD1-CG 4.44Å; L106-H136 PolarHBondContact N-O 2.87Å; L106-V137 HydrophobicContact CB-CG2 4.33Å; L106-V137 HydrophobicContact CD1-CG2 4.38Å; L106-V137 WeakPolarHBondContact O-CA 3.38Å; L106-V138 VanDerWaalsContact O-CG2 3.27Å; L106-V138 WeakPolarHBondContact O-CG2 3.41Å; L106-V138 PolarHBondContact O-N 3.42Å
107L98.6Very high95.2Very high0 Ų035.7 Ų35.70%016%0.164CC..EExtended strand (participates in β ladder)trans-117.2122.9170.1-177.378.2000108.9P35 V36 V37 I38 Y57 F270 M271P35-L107 HydrophobicContact CB-CB 4.14Å; P35-L107 HydrophobicContact CG-CB 4.36Å; V36-L107 PolarHBondContact O-N 3.44Å; V37-L107 CarbonylContact C-O 3.54Å; V37-L107 VanDerWaalsContact CA-O 3.32Å; V37-L107 WeakPolarHBondContact CA-O 3.24Å; V37-L107 HydrophobicContact CG1-CD2 4.32Å; V37-L107 HydrophobicContact CG2-CB 4.29Å; V37-L107 HydrophobicContact CG2-CD2 4.13Å; I38-L107 PolarHBondContact N-O 3.01Å; Y57-L107 HydrophobicContact CE1-CD2 3.94Å; L107-F270 HydrophobicContact CD1-CD1 4.23Å; L107-F270 HydrophobicContact CD1-CE1 3.89Å; L107-M271 HydrophobicContact CD2-CB 3.85Å; L107-M271 HydrophobicContact CD2-CG 3.91Å
108F98.8Very high95.1Very high0 Ų034.4 Ų34.40%016%0.158CC..EExtended strand (participates in β ladder)trans-93.1139.9173.1-72.1-88.5000110.7I38 L40 L93 L106 V110 Y119 V122 V137 G139 T140 V141I38-F108 HydrophobicContact CB-CD1 3.85Å; I38-F108 HydrophobicContact CB-CE1 3.89Å; I38-F108 HydrophobicContact CD1-CD1 4.39Å; I38-F108 HydrophobicContact CD1-CE1 3.63Å; I38-F108 HydrophobicContact CD1-CZ 3.72Å; I38-F108 HydrophobicContact CG1-CE1 4.33Å; I38-F108 HydrophobicContact CG2-CD1 4.09Å; I38-F108 HydrophobicContact CG2-CE1 3.95Å; L40-F108 HydrophobicContact CD1-CD1 4.17Å; L40-F108 HydrophobicContact CG-CD1 4.45Å; L93-F108 HydrophobicContact CD2-CZ 4.47Å; L106-F108 HydrophobicContact CB-CE2 4.3Å; F108-V110 HydrophobicContact CB-CG2 4.04Å; F108-Y119 HydrophobicContact CB-CD2 4.4Å; F108-Y119 HydrophobicContact CB-CE2 3.84Å; F108-Y119 AromaticContact CD1-CD2 3.98Å; F108-Y119 HydrophobicContact CD1-CD2 3.98Å; F108-Y119 AromaticContact CD1-CE2 3.8Å; F108-Y119 HydrophobicContact CD1-CE2 3.8Å; F108-Y119 AromaticContact CD2-CE2 3.72Å; F108-Y119 HydrophobicContact CD2-CE2 3.72Å; F108-Y119 HydrophobicContact CE1-CD2 4.44Å; F108-Y119 HydrophobicContact CE1-CE2 4.28Å; F108-Y119 HydrophobicContact CE2-CE2 4.22Å; F108-Y119 HydrophobicContact CG-CD2 4.1Å; F108-Y119 AromaticContact CG-CE2 3.49Å; F108-Y119 HydrophobicContact CG-CE2 3.49Å; F108-Y119 VanDerWaalsContact CG-CE2 3.49Å; F108-Y119 HydrophobicContact CZ-CE2 4.48Å; F108-V122 HydrophobicContact CE1-CG1 3.95Å; F108-V122 HydrophobicContact CE2-CG1 4.3Å; F108-V122 HydrophobicContact CZ-CG1 3.63Å; F108-V137 HydrophobicContact CD2-CG1 3.91Å; F108-V137 HydrophobicContact CD2-CG2 4.48Å; F108-V137 HydrophobicContact CE2-CG1 4.14Å; F108-V137 HydrophobicContact CE2-CG2 3.87Å; F108-G139 PolarHBondContact N-O 3.06Å; F108-T140 HydrophobicContact CB-CG2 4.07Å; F108-T140 CarbonylContact O-C 3.53Å; F108-T140 WeakPolarHBondContact O-CA 3.31Å; F108-V141 PolarHBondContact O-N 3.26Å
109H98.8Very high95.1Very high0 Ų029 Ų290%013%0.13CC..EExtended strand (participates in β ladder)trans-125.9110.1167.3-166.3152.2000108.1I38 L39 L40 Y57 F111 V141 D143 Y263I38-H109 PolarHBondContact O-N 3.07Å; L39-H109 WeakPolarHBondContact CA-O 3.47Å; L39-H109 HydrophobicContact CD2-CB 3.48Å; L39-H109 VanDerWaalsContact CD2-CB 3.48Å; L40-H109 PolarHBondContact N-O 3.14Å; Y57-H109 AromaticContact CE2-ND1 3.67Å; Y57-H109 AromaticContact CZ-ND1 3.71Å; Y57-H109 PolarHBondContact OH-ND1 3.27Å; H109-F111 HydrophobicContact CB-CE2 4.49Å; H109-F111 AromaticContact CD2-CE1 3.87Å; H109-F111 AromaticContact CD2-CE2 3.67Å; H109-F111 AromaticContact CD2-CZ 3.44Å; H109-F111 VanDerWaalsContact CD2-CZ 3.44Å; H109-F111 WeakPolarHBondContact CD2-CZ 3.5Å; H109-F111 AromaticContact CE1-CZ 3.83Å; H109-F111 AromaticContact CG-CZ 3.92Å; H109-F111 AromaticContact NE2-CE1 3.54Å; H109-F111 AromaticContact NE2-CZ 3.4Å; H109-F111 WeakPolarHBondContact NE2-CZ 3.37Å; H109-V141 CarbonylContact C-O 3.49Å; H109-V141 WeakPolarHBondContact CA-O 3.47Å; H109-V141 HydrophobicContact CB-CB 4.33Å; H109-D143 IonicContact NE2-OD2 2.63Å; H109-Y263 AromaticContact CE1-CZ 3.96Å; H109-Y263 PolarHBondContact CE1-OH 3.43Å; H109-Y263 PolarHBondContact NE2-OH 3.42Å
110V98.4Very high95Very high0 Ų026.9 Ų26.90%012%0.121CC..EExtended strand (participates in β ladder)trans-113.2118.2-164-171.40000109.3L40 F108 V116 Y119 T140 V141 F142 D143L40-V110 HydrophobicContact CB-CG1 4.42Å; L40-V110 HydrophobicContact CD1-CG2 4.16Å; F108-V110 HydrophobicContact CB-CG2 4.04Å; V110-V116 HydrophobicContact CG1-CB 4.39Å; V110-V116 HydrophobicContact CG1-CG2 3.82Å; V110-V116 VanDerWaalsContact CG1-N 3.3Å; V110-Y119 HydrophobicContact CG1-CG 4.45Å; V110-Y119 HydrophobicContact CG2-CD1 4.14Å; V110-Y119 HydrophobicContact CG2-CD2 4.05Å; V110-Y119 HydrophobicContact CG2-CG 3.84Å; V110-T140 HydrophobicContact CG2-CG2 3.9Å; V110-V141 PolarHBondContact N-O 3.31Å; V110-F142 HydrophobicContact CB-CD1 3.97Å; V110-F142 HydrophobicContact CB-CE1 4.23Å; V110-F142 HydrophobicContact CG1-CD1 4.31Å; V110-F142 HydrophobicContact CG1-CE1 4.39Å; V110-F142 HydrophobicContact CG2-CE1 4.38Å; V110-D143 PolarHBondContact O-N 2.7Å
111F98Very high95Very high0 Ų019.5 Ų19.50%09%0.086CC..EExtended strand (participates in β ladder)trans-101.9128.1-175.6-63.3-87.6000111.9L39 L40 W42 L50 Y53 H109 G115 D143 V253L39-F111 HydrophobicContact CB-CE2 4.29Å; L40-F111 WeakPolarHBondContact O-CB 3.47Å; L40-F111 WeakPolarHBondContact O-CD2 3.25Å; L40-F111 PolarHBondContact O-N 2.94Å; W42-F111 HydrophobicContact CB-CB 4.29Å; W42-F111 HydrophobicContact CE3-CB 3.75Å; W42-F111 HydrophobicContact CE3-CD1 4.31Å; W42-F111 HydrophobicContact CE3-CG 4.01Å; W42-F111 HydrophobicContact CZ3-CD1 4.31Å; W42-F111 HydrophobicContact CZ3-CG 4.31Å; L50-F111 HydrophobicContact CD2-CD2 3.9Å; L50-F111 HydrophobicContact CD2-CE2 3.83Å; L50-F111 HydrophobicContact CD2-CZ 4.5Å; Y53-F111 AromaticContact CD1-CE1 3.63Å; Y53-F111 HydrophobicContact CD1-CE1 3.63Å; Y53-F111 AromaticContact CD1-CZ 3.56Å; Y53-F111 HydrophobicContact CD1-CZ 3.56Å; Y53-F111 HydrophobicContact CD2-CE1 4.27Å; Y53-F111 HydrophobicContact CD2-CZ 4.09Å; Y53-F111 AromaticContact CE1-CE1 3.59Å; Y53-F111 HydrophobicContact CE1-CE1 3.59Å; Y53-F111 HydrophobicContact CE1-CZ 4.04Å; Y53-F111 HydrophobicContact CE2-CE1 4.22Å; Y53-F111 HydrophobicContact CE2-CZ 4.49Å; Y53-F111 AromaticContact CG-CE1 4Å; Y53-F111 HydrophobicContact CG-CE1 4Å; Y53-F111 AromaticContact CG-CZ 3.6Å; Y53-F111 HydrophobicContact CG-CZ 3.6Å; Y53-F111 AromaticContact CZ-CE1 3.89Å; H109-F111 HydrophobicContact CB-CE2 4.49Å; H109-F111 AromaticContact CD2-CE1 3.87Å; H109-F111 AromaticContact CD2-CE2 3.67Å; H109-F111 AromaticContact CD2-CZ 3.44Å; H109-F111 VanDerWaalsContact CD2-CZ 3.44Å; H109-F111 WeakPolarHBondContact CD2-CZ 3.5Å; H109-F111 AromaticContact CE1-CZ 3.83Å; H109-F111 AromaticContact CG-CZ 3.92Å; H109-F111 AromaticContact NE2-CE1 3.54Å; H109-F111 AromaticContact NE2-CZ 3.4Å; H109-F111 WeakPolarHBondContact NE2-CZ 3.37Å; F111-G115 WeakPolarHBondContact O-CA 3.39Å; F111-G115 PolarHBondContact O-N 3.27Å; F111-D143 WeakPolarHBondContact CA-O 3.37Å; F111-D143 HydrophobicContact CD1-CB 3.62Å; F111-D143 HydrophobicContact CE1-CB 3.85Å; F111-D143 HydrophobicContact CG-CB 4.44Å; F111-V253 HydrophobicContact CD1-CG1 3.81Å
112S95.1Very high95.1Very high9 Ų918.6 Ų18.66%0.0638%0.082CC..Hα-helixtrans56.2-177.3174.6-170.10000113.5W42 G114 G115 V116 D143 S144 H252W42-S112 VanDerWaalsContact CB-CB 3.48Å; S112-G114 PolarHBondContact O-N 2.93Å; S112-G115 PolarHBondContact O-N 2.87Å; S112-V116 VanDerWaalsContact O-CG2 3.23Å; S112-V116 WeakPolarHBondContact O-CG2 3.27Å; S112-V116 PolarHBondContact O-N 3.1Å; S112-V116 VanDerWaalsContact O-N 3.16Å; S112-D143 PolarHBondContact N-O 3.04Å; S112-S144 WeakPolarHBondContact CA-O 3.27Å; S112-H252 WeakPolarHBondContact CB-NE2 3.43Å; S112-H252 PolarHBondContact OG-CE1 3.01Å; S112-H252 VanDerWaalsContact OG-CE1 3.23Å; S112-H252 PolarHBondContact OG-NE2 3.39Å
113N91.6Very high95.1Very high24 Ų2417.3 Ų17.313%0.1288%0.076CC..Hα-helixtrans-64-29.1174.6-76.1-2.4000112.4V116 M117 G147 F199N113-V116 PolarHBondContact O-N 3.37Å; N113-M117 HydrophobicContact CB-CE 4.43Å; N113-M117 WeakPolarHBondContact O-CB 3.26Å; N113-M117 VanDerWaalsContact O-CG 3.25Å; N113-M117 WeakPolarHBondContact O-CG 3.3Å; N113-M117 PolarHBondContact O-N 2.88Å; N113-G147 PolarHBondContact ND2-O 3.28Å; N113-G147 PolarHBondContact OD1-N 3.11Å; N113-F199 HydrophobicContact CB-CZ 4.07Å
114G90.1Very high95.1Very high6 Ų69.8 Ų9.86%0.0625%0.049CC..Hα-helixtrans-61.3-45.8177.500000113.2S112S112-G114 PolarHBondContact O-N 2.93Å
115G94.8Very high95.2Very high1 Ų18.8 Ų8.81%0.014%0.044CC..Hα-helixtrans-68.4-40.9174.200000111.7G41 F111 S112 M117 L118 Y119G41-G115 PolarHBondContact O-N 2.85Å; F111-G115 WeakPolarHBondContact O-CA 3.39Å; F111-G115 PolarHBondContact O-N 3.27Å; S112-G115 PolarHBondContact O-N 2.87Å; G115-M117 PolarHBondContact O-N 2.74Å; G115-L118 PolarHBondContact O-N 3.35Å; G115-Y119 WeakPolarHBondContact O-CB 3.4Å; G115-Y119 PolarHBondContact O-N 2.77Å
116V93.8Very high95.1Very high0 Ų09 Ų90%04%0.044CC..Hα-helixtrans-60.8-42.3179.6171.40000111.9V110 S112 N113 L118 Y119 R120 F142 P146 F199 L203V110-V116 HydrophobicContact CG1-CB 4.39Å; V110-V116 HydrophobicContact CG1-CG2 3.82Å; V110-V116 VanDerWaalsContact CG1-N 3.3Å; S112-V116 VanDerWaalsContact O-CG2 3.23Å; S112-V116 WeakPolarHBondContact O-CG2 3.27Å; S112-V116 PolarHBondContact O-N 3.1Å; S112-V116 VanDerWaalsContact O-N 3.16Å; N113-V116 PolarHBondContact O-N 3.37Å; V116-L118 VanDerWaalsContact C-N 3.26Å; V116-L118 PolarHBondContact O-N 2.87Å; V116-Y119 PolarHBondContact O-N 2.93Å; V116-Y119 VanDerWaalsContact O-N 3.11Å; V116-R120 PolarHBondContact O-N 3.07Å; V116-F142 HydrophobicContact CG2-CD1 3.99Å; V116-F142 HydrophobicContact CG2-CE1 4.15Å; V116-P146 HydrophobicContact CG1-CB 3.99Å; V116-P146 HydrophobicContact CG2-CB 4.04Å; V116-F199 HydrophobicContact CB-CD2 4.47Å; V116-F199 HydrophobicContact CB-CE2 4.38Å; V116-F199 HydrophobicContact CG1-CD2 3.44Å; V116-F199 VanDerWaalsContact CG1-CD2 3.44Å; V116-F199 HydrophobicContact CG1-CE2 3.64Å; V116-L203 HydrophobicContact CG1-CD1 3.75Å; V116-L203 HydrophobicContact CG1-CD2 3.63Å; V116-L203 HydrophobicContact CG1-CG 4.34Å
117M91.1Very high94.9Very high30 Ų3013.4 Ų13.415%0.1487%0.065CC..Hα-helixtrans-61.1-34178.1-75177.9-165.300112.7V74 L85 N113 G115 R120 F199V74-M117 HydrophobicContact CG1-CE 4.44Å; V74-M117 HydrophobicContact CG1-SD 3.58Å; V74-M117 VanDerWaalsContact CG1-SD 3.58Å; L85-M117 HydrophobicContact CD1-CB 3.83Å; N113-M117 HydrophobicContact CB-CE 4.43Å; N113-M117 WeakPolarHBondContact O-CB 3.26Å; N113-M117 VanDerWaalsContact O-CG 3.25Å; N113-M117 WeakPolarHBondContact O-CG 3.3Å; N113-M117 PolarHBondContact O-N 2.88Å; G115-M117 PolarHBondContact O-N 2.74Å; M117-R120 WeakPolarHBondContact O-CG 3.44Å; M117-F199 HydrophobicContact CE-CD1 3.98Å; M117-F199 HydrophobicContact CE-CE1 3.44Å; M117-F199 VanDerWaalsContact CE-CE1 3.44Å; M117-F199 HydrophobicContact CE-CZ 4.25Å; M117-F199 HydrophobicContact CG-CD1 3.61Å; M117-F199 HydrophobicContact CG-CE1 3.84Å; M117-F199 HydrophobicContact CG-CG 4.02Å; M117-F199 HydrophobicContact CG-CZ 4.49Å; M117-F199 HydrophobicContact SD-CE1 4.45Å
118L93.5Very high94.6Very high2 Ų216.9 Ų16.91%0.019%0.086CC..Hα-helixtrans-75.2-43.9171.7-179.670.6000110.9L40 Y67 L85 M88 A89 L92 G115 V116 R120 Y121 V122L40-L118 HydrophobicContact CD1-CD2 4.41Å; L40-L118 HydrophobicContact CD2-CD2 4.02Å; Y67-L118 HydrophobicContact CD1-CD2 3.49Å; Y67-L118 VanDerWaalsContact CD1-CD2 3.49Å; Y67-L118 HydrophobicContact CE1-CD1 4.46Å; Y67-L118 HydrophobicContact CE1-CD2 3.48Å; Y67-L118 VanDerWaalsContact CE1-CD2 3.48Å; L85-L118 HydrophobicContact CB-CD1 4.13Å; L85-L118 HydrophobicContact CD2-CD1 4.37Å; L85-L118 WeakPolarHBondContact O-CD1 3.31Å; M88-L118 HydrophobicContact CB-CD1 4.06Å; A89-L118 HydrophobicContact CB-CD1 3.9Å; L92-L118 HydrophobicContact CD2-CD2 4.46Å; G115-L118 PolarHBondContact O-N 3.35Å; V116-L118 VanDerWaalsContact C-N 3.26Å; V116-L118 PolarHBondContact O-N 2.87Å; L118-R120 VanDerWaalsContact C-N 3.28Å; L118-R120 PolarHBondContact O-N 3.02Å; L118-Y121 WeakPolarHBondContact O-CB 3.41Å; L118-Y121 PolarHBondContact O-N 3.22Å; L118-V122 PolarHBondContact O-N 3.32Å
119Y96.1Very high94.4Very high0 Ų019.6 Ų19.60%010%0.099CC..Hα-helixtrans-59.9-36.4-177.8-173-120.9000112.8L40 F108 V110 G115 V116 Y121 V122 L123 T140 F142 W210L40-Y119 HydrophobicContact CD1-CD2 3.93Å; L40-Y119 HydrophobicContact CD1-CG 4.29Å; F108-Y119 HydrophobicContact CB-CD2 4.4Å; F108-Y119 HydrophobicContact CB-CE2 3.84Å; F108-Y119 AromaticContact CD1-CD2 3.98Å; F108-Y119 HydrophobicContact CD1-CD2 3.98Å; F108-Y119 AromaticContact CD1-CE2 3.8Å; F108-Y119 HydrophobicContact CD1-CE2 3.8Å; F108-Y119 AromaticContact CD2-CE2 3.72Å; F108-Y119 HydrophobicContact CD2-CE2 3.72Å; F108-Y119 HydrophobicContact CE1-CD2 4.44Å; F108-Y119 HydrophobicContact CE1-CE2 4.28Å; F108-Y119 HydrophobicContact CE2-CE2 4.22Å; F108-Y119 HydrophobicContact CG-CD2 4.1Å; F108-Y119 AromaticContact CG-CE2 3.49Å; F108-Y119 HydrophobicContact CG-CE2 3.49Å; F108-Y119 VanDerWaalsContact CG-CE2 3.49Å; F108-Y119 HydrophobicContact CZ-CE2 4.48Å; V110-Y119 HydrophobicContact CG1-CG 4.45Å; V110-Y119 HydrophobicContact CG2-CD1 4.14Å; V110-Y119 HydrophobicContact CG2-CD2 4.05Å; V110-Y119 HydrophobicContact CG2-CG 3.84Å; G115-Y119 WeakPolarHBondContact O-CB 3.4Å; G115-Y119 PolarHBondContact O-N 2.77Å; V116-Y119 PolarHBondContact O-N 2.93Å; V116-Y119 VanDerWaalsContact O-N 3.11Å; Y119-Y121 PolarHBondContact O-N 2.72Å; Y119-V122 HydrophobicContact CD2-CB 4.06Å; Y119-V122 HydrophobicContact CD2-CG1 4.27Å; Y119-V122 HydrophobicContact CE2-CB 4.46Å; Y119-V122 HydrophobicContact CE2-CG1 4.22Å; Y119-V122 WeakPolarHBondContact O-CA 3.14Å; Y119-V122 VanDerWaalsContact O-CB 3.26Å; Y119-V122 WeakPolarHBondContact O-CB 3.33Å; Y119-V122 PolarHBondContact O-N 2.87Å; Y119-L123 HydrophobicContact CD1-CD1 3.94Å; Y119-L123 HydrophobicContact CD1-CG 4.2Å; Y119-L123 HydrophobicContact CE1-CD1 3.68Å; Y119-L123 HydrophobicContact CE1-CD2 3.86Å; Y119-L123 HydrophobicContact CE1-CG 3.86Å; Y119-L123 HydrophobicContact CE2-CD2 4.24Å; Y119-L123 HydrophobicContact CE2-CG 4.42Å; Y119-L123 WeakPolarHBondContact O-CG 3.47Å; Y119-L123 PolarHBondContact O-N 2.86Å; Y119-L123 WeakPolarHBondContact OH-CD2 3.3Å; Y119-T140 HydrophobicContact CE1-CG2 3.85Å; Y119-T140 PolarHBondContact OH-OG1 2.93Å; Y119-F142 AromaticContact CD1-CE1 3.87Å; Y119-F142 HydrophobicContact CD1-CE1 3.87Å; Y119-F142 AromaticContact CD1-CZ 3.98Å; Y119-F142 HydrophobicContact CD1-CZ 3.98Å; Y119-F142 HydrophobicContact CE1-CE1 4.12Å; Y119-F142 AromaticContact CE1-CZ 3.77Å; Y119-F142 HydrophobicContact CE1-CZ 3.77Å; Y119-W210 WeakPolarHBondContact OH-CZ2 3.24Å; Y119-W210 PolarHBondContact OH-NE1 2.7Å
120R93Very high94.1Very high42 Ų4226.3 Ų26.316%0.15813%0.13CC..Hα-helixtrans-57.9-32.6175.265.9132.2-175.6145.1-14.4113.3E78 V116 M117 L118 E124 F199 L203E78-R120 IonicContact OE2-CZ 3.71Å; E78-R120 IonicContact OE2-NE 3.94Å; E78-R120 IonicContact OE2-NH2 3.95Å; E78-R120 PolarHBondContact OE2-NH2 3.04Å; V116-R120 PolarHBondContact O-N 3.07Å; M117-R120 WeakPolarHBondContact O-CG 3.44Å; L118-R120 VanDerWaalsContact C-N 3.28Å; L118-R120 PolarHBondContact O-N 3.02Å; R120-E124 PolarHBondContact O-N 2.94Å; R120-E124 VanDerWaalsContact O-N 3.1Å; R120-F199 HydrophobicContact CG-CB 4.04Å; R120-L203 HydrophobicContact CB-CD1 3.72Å
121Y93.3Very high93.8Very high14 Ų1432 Ų326%0.05515%0.152CC..Hα-helixtrans-77.7-31.8174.6-76.8-61.6000112P83 L85 R86 L118 Y119 L123 E124 L125P83-Y121 VanDerWaalsContact CA-OH 3.32Å; P83-Y121 WeakPolarHBondContact CA-OH 3.49Å; P83-Y121 HydrophobicContact CB-CE1 4.31Å; P83-Y121 WeakPolarHBondContact CB-OH 3.46Å; L85-Y121 HydrophobicContact CB-CD2 3.63Å; L85-Y121 HydrophobicContact CB-CE2 3.72Å; R86-Y121 HydrophobicContact CB-CD1 3.54Å; R86-Y121 HydrophobicContact CB-CD2 4.3Å; R86-Y121 HydrophobicContact CB-CE1 3.64Å; R86-Y121 HydrophobicContact CB-CE2 4.37Å; R86-Y121 HydrophobicContact CB-CG 3.87Å; R86-Y121 HydrophobicContact CG-CD1 3.65Å; R86-Y121 HydrophobicContact CG-CE1 4Å; R86-Y121 HydrophobicContact CG-CG 4.23Å; L118-Y121 WeakPolarHBondContact O-CB 3.41Å; L118-Y121 PolarHBondContact O-N 3.22Å; Y119-Y121 PolarHBondContact O-N 2.72Å; Y121-L123 VanDerWaalsContact C-N 3.34Å; Y121-E124 PolarHBondContact O-N 2.86Å; Y121-L125 VanDerWaalsContact O-CB 3.27Å; Y121-L125 WeakPolarHBondContact O-CB 3.19Å; Y121-L125 WeakPolarHBondContact O-CD1 3.36Å; Y121-L125 WeakPolarHBondContact O-CG 3.34Å; Y121-L125 PolarHBondContact O-N 2.79Å
122V96.4Very high93.7Very high0 Ų032 Ų320%015%0.152CC..Hα-helixtrans-58.3-49.2169.1172.70000109.8A89 L93 F108 L118 Y119 E124 L125 L126A89-V122 HydrophobicContact CB-CG2 3.87Å; L93-V122 HydrophobicContact CD1-CG1 4.38Å; L93-V122 HydrophobicContact CD2-CG1 4.13Å; F108-V122 HydrophobicContact CE1-CG1 3.95Å; F108-V122 HydrophobicContact CE2-CG1 4.3Å; F108-V122 HydrophobicContact CZ-CG1 3.63Å; L118-V122 PolarHBondContact O-N 3.32Å; Y119-V122 HydrophobicContact CD2-CB 4.06Å; Y119-V122 HydrophobicContact CD2-CG1 4.27Å; Y119-V122 HydrophobicContact CE2-CB 4.46Å; Y119-V122 HydrophobicContact CE2-CG1 4.22Å; Y119-V122 WeakPolarHBondContact O-CA 3.14Å; Y119-V122 VanDerWaalsContact O-CB 3.26Å; Y119-V122 WeakPolarHBondContact O-CB 3.33Å; Y119-V122 PolarHBondContact O-N 2.87Å; V122-E124 PolarHBondContact O-N 2.76Å; V122-L125 PolarHBondContact O-N 2.84Å; V122-L126 HydrophobicContact CG1-CD1 3.89Å; V122-L126 HydrophobicContact CG1-CG 4.29Å; V122-L126 VanDerWaalsContact O-CG 3.24Å; V122-L126 WeakPolarHBondContact O-CG 3.49Å; V122-L126 PolarHBondContact O-N 3.01Å
123L95.4Very high93.6Very high7 Ų738.1 Ų38.14%0.03717%0.174CC..Hα-helixtrans-57.3-49.2176.7-63.8174.6000112.1Y119 Y121 L125 L126 Q127 L203 W210Y119-L123 HydrophobicContact CD1-CD1 3.94Å; Y119-L123 HydrophobicContact CD1-CG 4.2Å; Y119-L123 HydrophobicContact CE1-CD1 3.68Å; Y119-L123 HydrophobicContact CE1-CD2 3.86Å; Y119-L123 HydrophobicContact CE1-CG 3.86Å; Y119-L123 HydrophobicContact CE2-CD2 4.24Å; Y119-L123 HydrophobicContact CE2-CG 4.42Å; Y119-L123 WeakPolarHBondContact O-CG 3.47Å; Y119-L123 PolarHBondContact O-N 2.86Å; Y119-L123 WeakPolarHBondContact OH-CD2 3.3Å; Y121-L123 VanDerWaalsContact C-N 3.34Å; L123-L125 VanDerWaalsContact C-N 3.31Å; L123-L125 PolarHBondContact O-N 2.76Å; L123-L126 PolarHBondContact O-N 3.46Å; L123-Q127 PolarHBondContact O-N 2.77Å; L123-L203 HydrophobicContact CD1-CD1 4.42Å; L123-L203 HydrophobicContact CD1-CG 4.5Å; L123-W210 HydrophobicContact CD2-CH2 3.76Å; L123-W210 HydrophobicContact CD2-CZ2 3.36Å
124E93Very high93.6Very high37 Ų3742.1 Ų42.117%0.17319%0.191CC..Hα-helixtrans-56.9-45.1176.5-177-168.3125.600111.7R86 R120 Y121 V122 Q127 T128 R202R86-E124 IonicContact CZ-OE1 2.78Å; R86-E124 IonicContact NE-OE1 2.65Å; R86-E124 PolarHBondContact NE-OE1 3.25Å; R86-E124 IonicContact NH2-OE1 3.61Å; R120-E124 PolarHBondContact O-N 2.94Å; R120-E124 VanDerWaalsContact O-N 3.1Å; Y121-E124 PolarHBondContact O-N 2.86Å; V122-E124 PolarHBondContact O-N 2.76Å; E124-Q127 PolarHBondContact O-N 3.44Å; E124-T128 HydrophobicContact CG-CG2 4.28Å; E124-T128 WeakPolarHBondContact O-CB 3.1Å; E124-T128 WeakPolarHBondContact O-CG2 3.49Å; E124-T128 PolarHBondContact O-N 3.23Å; E124-T128 PolarHBondContact O-OG1 2.92Å; E124-R202 IonicContact OE2-NH2 3.22Å
125L95.1Very high93.9Very high0 Ų042.5 Ų42.50%019%0.192CC..Hα-helixtrans-68.9-38.4-178.5-75.6170.5000112.3A89 Q90 L93 Y121 V122 L123 Q127 T128 H129 F132A89-L125 HydrophobicContact CB-CD1 3.82Å; Q90-L125 HydrophobicContact CB-CD1 3.84Å; L93-L125 HydrophobicContact CD1-CB 3.98Å; L93-L125 HydrophobicContact CD1-CD1 4.43Å; Y121-L125 VanDerWaalsContact O-CB 3.27Å; Y121-L125 WeakPolarHBondContact O-CB 3.19Å; Y121-L125 WeakPolarHBondContact O-CD1 3.36Å; Y121-L125 WeakPolarHBondContact O-CG 3.34Å; Y121-L125 PolarHBondContact O-N 2.79Å; V122-L125 PolarHBondContact O-N 2.84Å; L123-L125 VanDerWaalsContact C-N 3.31Å; L123-L125 PolarHBondContact O-N 2.76Å; L125-Q127 PolarHBondContact O-N 2.85Å; L125-T128 PolarHBondContact O-N 3.46Å; L125-H129 HydrophobicContact CD2-CB 4.21Å; L125-H129 WeakPolarHBondContact O-CB 3.38Å; L125-H129 PolarHBondContact O-N 2.95Å; L125-F132 HydrophobicContact CB-CD2 4.01Å; L125-F132 HydrophobicContact CB-CE2 4.5Å
126L95.4Very high94Very high17 Ų1747.8 Ų47.89%0.08922%0.216CC..Hα-helixtrans-58.6-32.8174.4-71.4168.7000111.8V122 L123 F132 R133 L135 V137 W210V122-L126 HydrophobicContact CG1-CD1 3.89Å; V122-L126 HydrophobicContact CG1-CG 4.29Å; V122-L126 VanDerWaalsContact O-CG 3.24Å; V122-L126 WeakPolarHBondContact O-CG 3.49Å; V122-L126 PolarHBondContact O-N 3.01Å; L123-L126 PolarHBondContact O-N 3.46Å; L126-F132 HydrophobicContact CD2-CB 4.35Å; L126-R133 WeakPolarHBondContact O-CA 3.37Å; L126-R133 WeakPolarHBondContact O-CG 3.49Å; L126-L135 HydrophobicContact CD2-CB 3.78Å; L126-L135 HydrophobicContact CD2-CD1 3.84Å; L126-L135 HydrophobicContact CD2-CG 4.36Å; L126-V137 HydrophobicContact CD1-CG2 3.72Å; L126-V137 HydrophobicContact CD2-CG2 4.44Å; L126-W210 HydrophobicContact CD1-CH2 4.09Å
127Q92Very high94.1Very high92 Ų9248.3 Ų48.343%0.4322%0.219SC..Hα-helixtrans-88.2-41.3179.2-67.7173.9-11.200113.4L123 E124 L125 R133 S206L123-Q127 PolarHBondContact O-N 2.77Å; E124-Q127 PolarHBondContact O-N 3.44Å; L125-Q127 PolarHBondContact O-N 2.85Å; Q127-R133 VanDerWaalsContact O-CZ 3.26Å; Q127-R133 PolarHBondContact O-NE 2.87Å; Q127-R133 PolarHBondContact O-NH2 3.08Å; Q127-S206 PolarHBondContact NE2-O 3.42Å
128T92.6Very high94.4Very high73 Ų7347.4 Ų47.445%0.44822%0.215SC..Hα-helixtrans-93.3-29.7-168.960.20000113.3E124 L125E124-T128 HydrophobicContact CG-CG2 4.28Å; E124-T128 WeakPolarHBondContact O-CB 3.1Å; E124-T128 WeakPolarHBondContact O-CG2 3.49Å; E124-T128 PolarHBondContact O-N 3.23Å; E124-T128 PolarHBondContact O-OG1 2.92Å; L125-T128 PolarHBondContact O-N 3.46Å
129H94.3Very high94.6Very high58 Ų5847.3 Ų47.327%0.26922%0.215SC..  trans-95.4116.2-171.9-162.3-83.3000111.5L125 R131 F132 R133L125-H129 HydrophobicContact CD2-CB 4.21Å; L125-H129 WeakPolarHBondContact O-CB 3.38Å; L125-H129 PolarHBondContact O-N 2.95Å; H129-R131 WeakPolarHBondContact ND1-CB 3.24Å; H129-R131 PolarHBondContact ND1-N 3.21Å; H129-R131 PolarHBondContact O-N 2.89Å; H129-R131 VanDerWaalsContact O-N 3.08Å; H129-F132 HydrophobicContact CB-CD2 3.57Å; H129-F132 HydrophobicContact CB-CE2 4.12Å; H129-F132 HydrophobicContact CB-CG 4.34Å; H129-F132 AromaticContact CG-CD2 3.64Å; H129-F132 AromaticContact CG-CE2 3.74Å; H129-F132 AromaticContact ND1-CD2 3.55Å; H129-F132 AromaticContact ND1-CE2 3.56Å; H129-F132 PolarHBondContact O-N 3.49Å; H129-R133 PolarHBondContact O-N 3.41Å
130Q92.4Very high94.8Very high140 Ų14047.3 Ų47.365%0.65422%0.215SC*.THydrogen-bonded Turntrans-51.4-39.1-175-70.2-67.6-17.200113.6F132 R133Q130-F132 VanDerWaalsContact C-N 3.28Å; Q130-F132 PolarHBondContact O-N 2.96Å; Q130-R133 VanDerWaalsContact NE2-NH1 3.16Å
131R94.1Very high95Very high121 Ų12145.3 Ų45.346%0.45721%0.207SC..THydrogen-bonded Turntrans-66.1-25.8178.8-170.6174.7177.4148.8-3.2113.3F97 H129 H134F97-R131 VanDerWaalsContact CB-NH2 3.27Å; F97-R131 HydrophobicContact CE1-CG 3.99Å; F97-R131 HydrophobicContact CE2-CG 4.22Å; F97-R131 HydrophobicContact CZ-CG 3.79Å; F97-R131 VanDerWaalsContact CZ-O 3.25Å; F97-R131 WeakPolarHBondContact CZ-O 3.45Å; H129-R131 WeakPolarHBondContact ND1-CB 3.24Å; H129-R131 PolarHBondContact ND1-N 3.21Å; H129-R131 PolarHBondContact O-N 2.89Å; H129-R131 VanDerWaalsContact O-N 3.08Å; R131-H134 PolarHBondContact O-CE1 3.3Å; R131-H134 PolarHBondContact O-ND1 3.32Å; R131-H134 VanDerWaalsContact O-ND1 3.1Å
132F95.9Very high95.3Very high0 Ų044.7 Ų44.70%021%0.205CC..THydrogen-bonded Turntrans-103.5-11.6-172.9-53.9-39000113.7Q90 L93 E94 F97 L125 L126 H129 Q130 H134 L135Q90-F132 HydrophobicContact CG-CE2 4.05Å; Q90-F132 HydrophobicContact CG-CZ 4.08Å; L93-F132 HydrophobicContact CB-CD1 3.98Å; L93-F132 HydrophobicContact CB-CD2 4.35Å; L93-F132 HydrophobicContact CB-CE1 3.81Å; L93-F132 HydrophobicContact CB-CE2 4.2Å; L93-F132 HydrophobicContact CB-CG 4.27Å; L93-F132 HydrophobicContact CB-CZ 3.93Å; L93-F132 HydrophobicContact CD1-CB 4.25Å; L93-F132 HydrophobicContact CD1-CD1 4.43Å; L93-F132 HydrophobicContact CD1-CD2 3.69Å; L93-F132 HydrophobicContact CD1-CE2 4.12Å; L93-F132 HydrophobicContact CD1-CG 3.88Å; E94-F132 HydrophobicContact CG-CE1 4.32Å; E94-F132 HydrophobicContact CG-CZ 4Å; F97-F132 HydrophobicContact CD2-CE1 4.34Å; F97-F132 AromaticContact CE2-CD1 3.62Å; F97-F132 HydrophobicContact CE2-CD1 3.62Å; F97-F132 AromaticContact CE2-CE1 3.69Å; F97-F132 HydrophobicContact CE2-CE1 3.69Å; F97-F132 HydrophobicContact CZ-CD1 4.08Å; F97-F132 HydrophobicContact CZ-CE1 4.45Å; L125-F132 HydrophobicContact CB-CD2 4.01Å; L125-F132 HydrophobicContact CB-CE2 4.5Å; L126-F132 HydrophobicContact CD2-CB 4.35Å; H129-F132 HydrophobicContact CB-CD2 3.57Å; H129-F132 HydrophobicContact CB-CE2 4.12Å; H129-F132 HydrophobicContact CB-CG 4.34Å; H129-F132 AromaticContact CG-CD2 3.64Å; H129-F132 AromaticContact CG-CE2 3.74Å; H129-F132 AromaticContact ND1-CD2 3.55Å; H129-F132 AromaticContact ND1-CE2 3.56Å; H129-F132 PolarHBondContact O-N 3.49Å; Q130-F132 VanDerWaalsContact C-N 3.28Å; Q130-F132 PolarHBondContact O-N 2.96Å; F132-H134 PolarHBondContact O-N 3.43Å; F132-L135 HydrophobicContact CB-CD1 4.01Å; F132-L135 HydrophobicContact CD1-CD1 4.18Å; F132-L135 HydrophobicContact CG-CD1 4.41Å; F132-L135 VanDerWaalsContact O-CB 3.31Å; F132-L135 WeakPolarHBondContact O-CB 3.35Å; F132-L135 WeakPolarHBondContact O-CG 3.36Å; F132-L135 PolarHBondContact O-N 2.83Å
133R92.3Very high95.4Very high137 Ų13744.7 Ų44.752%0.51721%0.205SC..THydrogen-bonded Turntrans-58.5-21.2-178.9-75.3178.9176.5-167-5.9115.5L126 Q127 H129 Q130L126-R133 WeakPolarHBondContact O-CA 3.37Å; L126-R133 WeakPolarHBondContact O-CG 3.49Å; Q127-R133 VanDerWaalsContact O-CZ 3.26Å; Q127-R133 PolarHBondContact O-NE 2.87Å; Q127-R133 PolarHBondContact O-NH2 3.08Å; H129-R133 PolarHBondContact O-N 3.41Å; Q130-R133 VanDerWaalsContact NE2-NH1 3.16Å
134H92.2Very high95.5Very high108 Ų10844.4 Ų44.450%0.520%0.203SC..THydrogen-bonded Turntrans-94.9-3.2179.965.2-95000113.4F97 R131 F132 H136F97-H134 AromaticContact CE1-CE1 3.57Å; F97-H134 AromaticContact CE1-NE2 3.39Å; F97-H134 WeakPolarHBondContact CE1-NE2 3.48Å; F97-H134 AromaticContact CZ-CE1 3.68Å; F97-H134 AromaticContact CZ-NE2 3.59Å; R131-H134 PolarHBondContact O-CE1 3.3Å; R131-H134 PolarHBondContact O-ND1 3.32Å; R131-H134 VanDerWaalsContact O-ND1 3.1Å; F132-H134 PolarHBondContact O-N 3.43Å; H134-H136 PolarHBondContact O-N 3.38Å
135L96.4Very high95.5Very high13 Ų1342.7 Ų42.77%0.06820%0.195CC..  trans-67.3129.6175.5-66179000109.4L93 L96 F97 E102 L106 L126 F132 V137L93-L135 HydrophobicContact CB-CD1 4.48Å; L93-L135 HydrophobicContact CD2-CD1 3.9Å; L96-L135 HydrophobicContact CD1-CD1 3.81Å; L96-L135 HydrophobicContact CD1-CD2 3.94Å; F97-L135 HydrophobicContact CE2-CD2 4.27Å; F97-L135 HydrophobicContact CZ-CD2 4.09Å; E102-L135 HydrophobicContact CB-CD2 3.81Å; E102-L135 WeakPolarHBondContact O-CD2 3.4Å; L106-L135 HydrophobicContact CD1-CB 3.91Å; L106-L135 HydrophobicContact CD1-CD1 4.3Å; L106-L135 HydrophobicContact CD1-CD2 4.41Å; L106-L135 HydrophobicContact CD1-CG 4.44Å; L126-L135 HydrophobicContact CD2-CB 3.78Å; L126-L135 HydrophobicContact CD2-CD1 3.84Å; L126-L135 HydrophobicContact CD2-CG 4.36Å; F132-L135 HydrophobicContact CB-CD1 4.01Å; F132-L135 HydrophobicContact CD1-CD1 4.18Å; F132-L135 HydrophobicContact CG-CD1 4.41Å; F132-L135 VanDerWaalsContact O-CB 3.31Å; F132-L135 WeakPolarHBondContact O-CB 3.35Å; F132-L135 WeakPolarHBondContact O-CG 3.36Å; F132-L135 PolarHBondContact O-N 2.83Å; L135-V137 PolarHBondContact O-N 3.46Å
136H95.3Very high95.4Very high112 Ų11242.7 Ų42.752%0.51920%0.195SC..  trans-97.491.5-173.2-177.4-143.3000111.2P105 L106 H134 V138P105-H136 CarbonylContact C-O 3.5Å; L106-H136 PolarHBondContact N-O 2.87Å; H134-H136 PolarHBondContact O-N 3.38Å; H136-V138 VanDerWaalsContact CE1-CG1 3.46Å; H136-V138 WeakPolarHBondContact CE1-CG1 3.45Å
137V97.3Very high95Very high11 Ų1141.9 Ų41.97%0.06719%0.192CC..EExtended strand (participates in β ladder)trans-79.7121.6173.5-172.80000110L106 F108 L126 L135 W210L106-V137 HydrophobicContact CB-CG2 4.33Å; L106-V137 HydrophobicContact CD1-CG2 4.38Å; L106-V137 WeakPolarHBondContact O-CA 3.38Å; F108-V137 HydrophobicContact CD2-CG1 3.91Å; F108-V137 HydrophobicContact CD2-CG2 4.48Å; F108-V137 HydrophobicContact CE2-CG1 4.14Å; F108-V137 HydrophobicContact CE2-CG2 3.87Å; L126-V137 HydrophobicContact CD1-CG2 3.72Å; L126-V137 HydrophobicContact CD2-CG2 4.44Å; L135-V137 PolarHBondContact O-N 3.46Å; V137-W210 HydrophobicContact CB-CD2 3.91Å; V137-W210 HydrophobicContact CB-CE3 3.82Å; V137-W210 HydrophobicContact CB-CH2 4.02Å; V137-W210 HydrophobicContact CB-CZ2 4.09Å; V137-W210 HydrophobicContact CB-CZ3 3.89Å; V137-W210 HydrophobicContact CG1-CD2 3.66Å; V137-W210 VanDerWaalsContact CG1-CE2 3.5Å; V137-W210 HydrophobicContact CG1-CE3 4.12Å; V137-W210 HydrophobicContact CG1-CG 4.05Å; V137-W210 HydrophobicContact CG1-CH2 4.23Å; V137-W210 HydrophobicContact CG1-CZ2 3.77Å; V137-W210 HydrophobicContact CG1-CZ3 4.4Å; V137-W210 HydrophobicContact CG2-CH2 4.18Å; V137-W210 HydrophobicContact CG2-CZ2 4.42Å; V137-W210 HydrophobicContact CG2-CZ3 4.36Å
138V97.1Very high94.4Very high11 Ų1140.2 Ų40.27%0.06719%0.186CC..EExtended strand (participates in β ladder)trans-100.9-14.5-178-680000113.7P35 P105 L106 H136 P211 C274 V275P35-V138 HydrophobicContact CB-CG2 4.47Å; P105-V138 HydrophobicContact CB-CG1 3.73Å; P105-V138 HydrophobicContact CB-CG2 4Å; L106-V138 VanDerWaalsContact O-CG2 3.27Å; L106-V138 WeakPolarHBondContact O-CG2 3.41Å; L106-V138 PolarHBondContact O-N 3.42Å; H136-V138 VanDerWaalsContact CE1-CG1 3.46Å; H136-V138 WeakPolarHBondContact CE1-CG1 3.45Å; V138-P211 WeakPolarHBondContact O-CD 3.49Å; V138-C274 HydrophobicContact CB-CB 4.14Å; V138-C274 HydrophobicContact CG2-CB 4.14Å; V138-C274 WeakPolarHBondContact O-CB 3.41Å; V138-C274 PolarHBondContact O-SG 2.7Å; V138-V275 HydrophobicContact CG2-CG1 4.13Å
139G97.9Very high93.2Very high0 Ų039 Ų390%018%0.18CC..EExtended strand (participates in β ladder)trans176.3171.4175.500000114.1F108 P211F108-G139 PolarHBondContact N-O 3.06Å; G139-P211 CarbonylContact C-O 3.56Å; G139-P211 WeakPolarHBondContact CA-O 3.36Å
140T98.6Very high92.3Very high0 Ų039.2 Ų39.20%018%0.183CC..EExtended strand (participates in β ladder)trans-139.3132.2176.9-54.20000111.6F108 V110 Y119 F142 W210 P211 E212 L213 F270F108-T140 HydrophobicContact CB-CG2 4.07Å; F108-T140 CarbonylContact O-C 3.53Å; F108-T140 WeakPolarHBondContact O-CA 3.31Å; V110-T140 HydrophobicContact CG2-CG2 3.9Å; Y119-T140 HydrophobicContact CE1-CG2 3.85Å; Y119-T140 PolarHBondContact OH-OG1 2.93Å; T140-F142 HydrophobicContact CG2-CD1 4.43Å; T140-F142 HydrophobicContact CG2-CD2 4.06Å; T140-F142 HydrophobicContact CG2-CE1 4.05Å; T140-F142 HydrophobicContact CG2-CE2 3.65Å; T140-F142 HydrophobicContact CG2-CG 4.44Å; T140-F142 HydrophobicContact CG2-CZ 3.65Å; T140-W210 PolarHBondContact OG1-NE1 3.37Å; T140-P211 PolarHBondContact N-O 2.92Å; T140-E212 CarbonylContact O-C 3.55Å; T140-E212 VanDerWaalsContact O-CA 3.3Å; T140-E212 WeakPolarHBondContact O-CA 3.17Å; T140-L213 PolarHBondContact O-N 2.93Å; T140-F270 WeakPolarHBondContact O-CZ 3.4Å
141V98.8Very high91.5Very high0 Ų035.4 Ų35.40%017%0.167CC..EExtended strand (participates in β ladder)trans-100.5123.9167-174.90000108.1F108 H109 V110 L213 L215 F270F108-V141 PolarHBondContact O-N 3.26Å; H109-V141 CarbonylContact C-O 3.49Å; H109-V141 WeakPolarHBondContact CA-O 3.47Å; H109-V141 HydrophobicContact CB-CB 4.33Å; V110-V141 PolarHBondContact N-O 3.31Å; V141-L213 CarbonylContact C-O 3.4Å; V141-L213 WeakPolarHBondContact CA-O 3.32Å; V141-L213 HydrophobicContact CG1-CB 4.46Å; V141-L213 HydrophobicContact CG1-CD2 4.16Å; V141-L213 HydrophobicContact CG1-CG 4.32Å; V141-L213 HydrophobicContact CG2-CB 4.31Å; V141-L213 HydrophobicContact CG2-CD2 4.22Å; V141-L215 HydrophobicContact CG1-CD1 3.85Å; V141-L215 HydrophobicContact CG1-CG 4.19Å; V141-F270 HydrophobicContact CG2-CD1 3.54Å; V141-F270 HydrophobicContact CG2-CE1 3.68Å
142F98.6Very high90.9Very high2 Ų233.7 Ų33.71%0.00917%0.17CC..EExtended strand (participates in β ladder)trans-101.3121.4168.1-66.8-77.1000108.9V110 V116 Y119 T140 G145 L203 E212 L213 Y214 L215V110-F142 HydrophobicContact CB-CD1 3.97Å; V110-F142 HydrophobicContact CB-CE1 4.23Å; V110-F142 HydrophobicContact CG1-CD1 4.31Å; V110-F142 HydrophobicContact CG1-CE1 4.39Å; V110-F142 HydrophobicContact CG2-CE1 4.38Å; V116-F142 HydrophobicContact CG2-CD1 3.99Å; V116-F142 HydrophobicContact CG2-CE1 4.15Å; Y119-F142 AromaticContact CD1-CE1 3.87Å; Y119-F142 HydrophobicContact CD1-CE1 3.87Å; Y119-F142 AromaticContact CD1-CZ 3.98Å; Y119-F142 HydrophobicContact CD1-CZ 3.98Å; Y119-F142 HydrophobicContact CE1-CE1 4.12Å; Y119-F142 AromaticContact CE1-CZ 3.77Å; Y119-F142 HydrophobicContact CE1-CZ 3.77Å; T140-F142 HydrophobicContact CG2-CD1 4.43Å; T140-F142 HydrophobicContact CG2-CD2 4.06Å; T140-F142 HydrophobicContact CG2-CE1 4.05Å; T140-F142 HydrophobicContact CG2-CE2 3.65Å; T140-F142 HydrophobicContact CG2-CG 4.44Å; T140-F142 HydrophobicContact CG2-CZ 3.65Å; F142-G145 WeakPolarHBondContact CB-O 3.43Å; F142-L203 HydrophobicContact CE1-CD2 3.71Å; F142-L203 HydrophobicContact CZ-CD2 3.78Å; F142-E212 HydrophobicContact CE2-CG 4.24Å; F142-L213 PolarHBondContact N-O 3.19Å; F142-Y214 HydrophobicContact CB-CD1 3.71Å; F142-Y214 HydrophobicContact CB-CE1 3.94Å; F142-Y214 HydrophobicContact CB-CG 4.41Å; F142-Y214 AromaticContact CD2-CD1 3.95Å; F142-Y214 HydrophobicContact CD2-CD1 3.95Å; F142-Y214 AromaticContact CD2-CE1 3.41Å; F142-Y214 HydrophobicContact CD2-CE1 3.41Å; F142-Y214 VanDerWaalsContact CD2-CE1 3.41Å; F142-Y214 HydrophobicContact CD2-CE2 4.16Å; F142-Y214 AromaticContact CD2-CZ 3.54Å; F142-Y214 HydrophobicContact CE2-CE1 4.07Å; F142-Y214 AromaticContact CE2-CZ 3.88Å; F142-Y214 HydrophobicContact CG-CD1 4.11Å; F142-Y214 AromaticContact CG-CE1 3.81Å; F142-Y214 HydrophobicContact CG-CE1 3.81Å; F142-L215 PolarHBondContact O-N 3.08Å
143D98.4Very high90.2Very high0 Ų033.9 Ų33.90%017%0.172CC..EExtended strand (participates in β ladder)trans-113.1119178.1-175.1-39.9000109.6H109 V110 F111 S112 G145 H255 Y263H109-D143 IonicContact NE2-OD2 2.63Å; V110-D143 PolarHBondContact O-N 2.7Å; F111-D143 WeakPolarHBondContact CA-O 3.37Å; F111-D143 HydrophobicContact CD1-CB 3.62Å; F111-D143 HydrophobicContact CE1-CB 3.85Å; F111-D143 HydrophobicContact CG-CB 4.44Å; S112-D143 PolarHBondContact N-O 3.04Å; D143-G145 VanDerWaalsContact C-N 3.26Å; D143-G145 PolarHBondContact O-N 2.99Å; D143-H255 IonicContact OD1-CD2 3.49Å; D143-H255 PolarHBondContact OD1-CD2 2.93Å; D143-H255 VanDerWaalsContact OD1-CD2 3.22Å; D143-H255 IonicContact OD1-NE2 3.09Å; D143-H255 IonicContact OD2-CD2 3.2Å; D143-Y263 WeakPolarHBondContact OD2-CE2 3.46Å; D143-Y263 VanDerWaalsContact OD2-CZ 3.24Å; D143-Y263 PolarHBondContact OD2-OH 2.89Å
144S97.4Very high89.8Confident0 Ų028.6 Ų28.60%016%0.157CC..SBendtrans56.338.7-179-47.60000113.1S112 L215 V223 H252 V253 H255S112-S144 WeakPolarHBondContact CA-O 3.27Å; S144-L215 PolarHBondContact N-O 3.45Å; S144-V223 WeakPolarHBondContact O-CG2 3.36Å; S144-H252 WeakPolarHBondContact CB-ND1 3.42Å; S144-H252 PolarHBondContact O-CE1 3.46Å; S144-H252 VanDerWaalsContact O-CE1 3.31Å; S144-V253 VanDerWaalsContact OG-CA 3.29Å; S144-V253 WeakPolarHBondContact OG-CA 3.18Å; S144-V253 PolarHBondContact OG-N 3.4Å; S144-H255 PolarHBondContact OG-NE2 2.94Å
145G93.9Very high89.5Confident1 Ų125.7 Ų25.71%0.0115%0.145CC..  trans-171.7174-178.100000111.5F142 D143F142-G145 WeakPolarHBondContact CB-O 3.43Å; D143-G145 VanDerWaalsContact C-N 3.26Å; D143-G145 PolarHBondContact O-N 2.99Å
146P93.4Very high89Confident0 Ų030.5 Ų30.50%016%0.162CC..  cis-79147.8-8.433.9-34.6000112.1V116 F199 Y200 L203 Y214 M231V116-P146 HydrophobicContact CG1-CB 3.99Å; V116-P146 HydrophobicContact CG2-CB 4.04Å; P146-F199 HydrophobicContact CB-CE2 4.47Å; P146-Y200 HydrophobicContact CB-CD2 4.06Å; P146-Y200 HydrophobicContact CB-CE2 4.33Å; P146-Y200 HydrophobicContact CG-CD2 4.35Å; P146-Y200 HydrophobicContact CG-CE2 4.23Å; P146-L203 HydrophobicContact CB-CD2 4.18Å; P146-L203 HydrophobicContact CG-CD2 4.05Å; P146-Y214 HydrophobicContact CG-CE1 4.4Å; P146-M231 HydrophobicContact CG-CB 4.01Å; P146-M231 HydrophobicContact CG-CE 3.68Å; P146-M231 HydrophobicContact CG-CG 3.62Å; P146-M231 HydrophobicContact CG-SD 4.31Å
147G86.7Confident88.6Confident1 Ų126 Ų261%0.0114%0.144CC..  trans-113.8149.817200000111.9N113 S149 F199N113-G147 PolarHBondContact ND2-O 3.28Å; N113-G147 PolarHBondContact OD1-N 3.11Å; G147-S149 PolarHBondContact O-N 2.74Å; G147-F199 WeakPolarHBondContact O-CZ 3.09Å
148D79.8Confident88Confident57 Ų5725.5 Ų25.531%0.30514%0.141SC..  trans-84.367.2-177.1-176.617.6000110.8N150 H198 Y200 D227 R230D148-N150 PolarHBondContact O-N 3.41Å; D148-H198 IonicContact OD1-CE1 3.52Å; D148-H198 IonicContact OD1-ND1 3.53Å; D148-Y200 HydrophobicContact CB-CD1 4.42Å; D148-Y200 HydrophobicContact CB-CD2 4.14Å; D148-Y200 HydrophobicContact CB-CE1 4.49Å; D148-Y200 HydrophobicContact CB-CE2 4.2Å; D148-Y200 HydrophobicContact CB-CG 4.26Å; D148-D227 HydrophobicContact CB-CB 4.41Å; D148-D227 PolarHBondContact N-OD2 3.45Å; D148-R230 VanDerWaalsContact CG-NH2 3.29Å; D148-R230 IonicContact OD2-CZ 3.69Å; D148-R230 IonicContact OD2-NH1 3.09Å; D148-R230 IonicContact OD2-NH2 3.89Å; D148-R230 PolarHBondContact OD2-NH2 3.08Å
149S66.8Low87.6Confident46 Ų4625.7 Ų25.732%0.32214%0.144SC..  trans14.456.3173.9-57.10000117.3G147 L151 H198 F199G147-S149 PolarHBondContact O-N 2.74Å; S149-L151 PolarHBondContact O-N 2.86Å; S149-H198 VanDerWaalsContact CB-CE1 3.45Å; S149-H198 WeakPolarHBondContact CB-CE1 3.44Å; S149-H198 WeakPolarHBondContact CB-NE2 3.23Å; S149-H198 PolarHBondContact OG-CE1 3.49Å; S149-H198 PolarHBondContact OG-NE2 2.86Å; S149-F199 WeakPolarHBondContact OG-CE1 3.41Å; S149-F199 VanDerWaalsContact OG-CZ 3.27Å; S149-F199 WeakPolarHBondContact OG-CZ 3.39Å
150N74.1Confident87.1Confident64 Ų6430.8 Ų30.834%0.34217%0.17SC..  trans-70.4136.4174.767.164.6000108.4D148 V152 G153 A154D148-N150 PolarHBondContact O-N 3.41Å; N150-V152 PolarHBondContact O-N 2.8Å; N150-V152 VanDerWaalsContact O-N 3.15Å; N150-G153 PolarHBondContact O-N 3.37Å; N150-G153 VanDerWaalsContact O-N 3.14Å; N150-G153 VanDerWaalsContact OD1-CA 3.3Å; N150-G153 WeakPolarHBondContact OD1-CA 3.29Å; N150-G153 PolarHBondContact OD1-N 2.71Å; N150-A154 PolarHBondContact O-N 3.29Å
151L77.1Confident86.5Confident60 Ų6032.6 Ų32.631%0.31418%0.18SC..Hα-helixtrans-55.8-34.9-176.7174.760.2000111.8S149 A154 L155 F177 V181 V182S149-L151 PolarHBondContact O-N 2.86Å; L151-A154 PolarHBondContact O-N 3.18Å; L151-L155 HydrophobicContact CD1-CD1 4.08Å; L151-L155 HydrophobicContact CD1-CG 4.09Å; L151-L155 HydrophobicContact CG-CD1 3.95Å; L151-L155 HydrophobicContact CG-CG 4.42Å; L151-L155 WeakPolarHBondContact O-CB 3.49Å; L151-L155 VanDerWaalsContact O-CG 3.27Å; L151-L155 WeakPolarHBondContact O-CG 3.48Å; L151-L155 PolarHBondContact O-N 3.02Å; L151-F177 HydrophobicContact CD1-CE1 4.17Å; L151-V181 HydrophobicContact CD1-CB 4.14Å; L151-V181 HydrophobicContact CD1-CG1 4.02Å; L151-V181 HydrophobicContact CD1-CG2 4.42Å; L151-V182 HydrophobicContact CD2-CG2 4.3Å
152V81.4Confident86Confident85 Ų8532.7 Ų32.752%0.51518%0.18SC..Hα-helixtrans-63.6-46.5179.6178.20000111.4N150 L155 R156N150-V152 PolarHBondContact O-N 2.8Å; N150-V152 VanDerWaalsContact O-N 3.15Å; V152-L155 PolarHBondContact O-N 2.93Å; V152-R156 WeakPolarHBondContact O-CB 3.29Å; V152-R156 WeakPolarHBondContact O-CG 3.43Å; V152-R156 PolarHBondContact O-N 3.49Å
153G80.6Confident85.4Confident4 Ų438.9 Ų38.94%0.04121%0.209CC..Hα-helixtrans-66.5-42.1177.800000111.4N150 L155 R156 A157N150-G153 PolarHBondContact O-N 3.37Å; N150-G153 VanDerWaalsContact O-N 3.14Å; N150-G153 VanDerWaalsContact OD1-CA 3.3Å; N150-G153 WeakPolarHBondContact OD1-CA 3.29Å; N150-G153 PolarHBondContact OD1-N 2.71Å; G153-L155 VanDerWaalsContact C-N 3.35Å; G153-L155 PolarHBondContact O-N 2.81Å; G153-R156 PolarHBondContact O-N 2.83Å; G153-A157 WeakPolarHBondContact O-CB 3.44Å; G153-A157 PolarHBondContact O-N 3.07Å
154A83.8Confident84.8Confident26 Ų2647.9 Ų47.922%0.21524%0.243CC..Hα-helixtrans-60.6-43.317300000111.9F75 N150 L151 A157 L158 F177F75-A154 HydrophobicContact CE1-CB 4.37Å; F75-A154 WeakPolarHBondContact CE1-O 3.31Å; N150-A154 PolarHBondContact O-N 3.29Å; L151-A154 PolarHBondContact O-N 3.18Å; A154-A157 PolarHBondContact O-N 3.3Å; A154-L158 VanDerWaalsContact O-CB 3.3Å; A154-L158 WeakPolarHBondContact O-CB 3.28Å; A154-L158 PolarHBondContact O-N 2.84Å; A154-F177 HydrophobicContact CB-CE1 3.89Å; A154-F177 HydrophobicContact CB-CZ 4.01Å
155L85.4Confident84.3Confident46 Ų4654.7 Ų54.724%0.24127%0.269CS..Hα-helixtrans-64.5-41.9174.7-76.8169.3000112.2L151 V152 G153 L158 A159 L174 F177 A178L151-L155 HydrophobicContact CD1-CD1 4.08Å; L151-L155 HydrophobicContact CD1-CG 4.09Å; L151-L155 HydrophobicContact CG-CD1 3.95Å; L151-L155 HydrophobicContact CG-CG 4.42Å; L151-L155 WeakPolarHBondContact O-CB 3.49Å; L151-L155 VanDerWaalsContact O-CG 3.27Å; L151-L155 WeakPolarHBondContact O-CG 3.48Å; L151-L155 PolarHBondContact O-N 3.02Å; V152-L155 PolarHBondContact O-N 2.93Å; G153-L155 VanDerWaalsContact C-N 3.35Å; G153-L155 PolarHBondContact O-N 2.81Å; L155-L158 PolarHBondContact O-N 3.06Å; L155-A159 WeakPolarHBondContact O-CB 3.45Å; L155-A159 PolarHBondContact O-N 2.8Å; L155-L174 HydrophobicContact CD2-CB 4.36Å; L155-L174 HydrophobicContact CD2-CD2 4.02Å; L155-F177 HydrophobicContact CD2-CD1 3.8Å; L155-F177 HydrophobicContact CD2-CE1 4.4Å; L155-F177 HydrophobicContact CG-CD1 4.39Å; L155-A178 HydrophobicContact CD1-CB 4.47Å; L155-A178 HydrophobicContact CD2-CB 4.29Å
156R87.3Confident84.2Confident115 Ų11558.9 Ų58.943%0.43430%0.296SS..Hα-helixtrans-61.2-48.1175.1-77175.2176166.9-2.8111.3V152 G153 A159 I160 E221 V222V152-R156 WeakPolarHBondContact O-CB 3.29Å; V152-R156 WeakPolarHBondContact O-CG 3.43Å; V152-R156 PolarHBondContact O-N 3.49Å; G153-R156 PolarHBondContact O-N 2.83Å; R156-A159 WeakPolarHBondContact O-CB 3.44Å; R156-A159 PolarHBondContact O-N 3.34Å; R156-I160 WeakPolarHBondContact O-CG1 3.38Å; R156-I160 PolarHBondContact O-N 3.26Å; R156-E221 WeakPolarHBondContact CD-O 3.17Å; R156-E221 PolarHBondContact NH1-O 3.05Å; R156-V222 HydrophobicContact CB-CG2 4.47Å
157A86Confident83.9Confident17 Ų1764.5 Ų64.514%0.1433%0.33CS..Hα-helixtrans-59.7-49176.500000111.4F75 G153 A154 A159 I160 I161 V222F75-A157 HydrophobicContact CE1-CB 4.36Å; F75-A157 HydrophobicContact CZ-CB 3.81Å; G153-A157 WeakPolarHBondContact O-CB 3.44Å; G153-A157 PolarHBondContact O-N 3.07Å; A154-A157 PolarHBondContact O-N 3.3Å; A157-A159 VanDerWaalsContact C-N 3.29Å; A157-A159 PolarHBondContact O-N 3.02Å; A157-I160 WeakPolarHBondContact O-CB 3.3Å; A157-I160 PolarHBondContact O-N 2.78Å; A157-I161 WeakPolarHBondContact O-CG1 3.46Å; A157-I161 PolarHBondContact O-N 2.78Å; A157-V222 HydrophobicContact CB-CG1 3.91Å
158L85.5Confident84.1Confident0 Ų069.6 Ų69.60%036%0.361CS..Hα-helixtrans-63-37.4177.9-175.957.8000111.8W71 F75 A154 L155 I160 I161 L162 L174 F177W71-L158 HydrophobicContact CE3-CD1 3.85Å; W71-L158 HydrophobicContact CH2-CD1 4.38Å; W71-L158 HydrophobicContact CZ3-CD1 3.49Å; W71-L158 VanDerWaalsContact CZ3-CD1 3.49Å; F75-L158 HydrophobicContact CD1-CB 4.33Å; F75-L158 HydrophobicContact CE1-CB 4.08Å; F75-L158 HydrophobicContact CG-CD1 4.47Å; A154-L158 VanDerWaalsContact O-CB 3.3Å; A154-L158 WeakPolarHBondContact O-CB 3.28Å; A154-L158 PolarHBondContact O-N 2.84Å; L155-L158 PolarHBondContact O-N 3.06Å; L158-I160 VanDerWaalsContact C-N 3.32Å; L158-I160 PolarHBondContact O-N 3.31Å; L158-I161 PolarHBondContact O-N 3.06Å; L158-L162 HydrophobicContact CD1-CD1 3.87Å; L158-L162 HydrophobicContact CD1-CG 3.97Å; L158-L162 HydrophobicContact CD2-CD1 4.48Å; L158-L162 HydrophobicContact CG-CD1 3.84Å; L158-L162 HydrophobicContact CG-CG 4.31Å; L158-L162 WeakPolarHBondContact O-CB 3.43Å; L158-L162 VanDerWaalsContact O-CG 3.28Å; L158-L162 WeakPolarHBondContact O-CG 3.23Å; L158-L162 PolarHBondContact O-N 2.84Å; L158-L174 HydrophobicContact CB-CD2 4.01Å; L158-L174 HydrophobicContact CD2-CD2 3.96Å; L158-L174 HydrophobicContact CG-CD2 3.84Å; L158-F177 HydrophobicContact CD2-CB 3.74Å; L158-F177 HydrophobicContact CD2-CD1 3.84Å; L158-F177 HydrophobicContact CD2-CD2 4.23Å; L158-F177 HydrophobicContact CD2-CG 3.65Å
159A87.3Confident84.5Confident16 Ų1670.4 Ų70.413%0.13237%0.365CS..Hα-helixtrans-63.1-38.6176.500000111.8L155 R156 A157 E163 R170 L174L155-A159 WeakPolarHBondContact O-CB 3.45Å; L155-A159 PolarHBondContact O-N 2.8Å; R156-A159 WeakPolarHBondContact O-CB 3.44Å; R156-A159 PolarHBondContact O-N 3.34Å; A157-A159 VanDerWaalsContact C-N 3.29Å; A157-A159 PolarHBondContact O-N 3.02Å; A159-E163 PolarHBondContact O-N 3.09Å; A159-R170 PolarHBondContact O-NE 3.07Å; A159-R170 PolarHBondContact O-NH2 2.86Å; A159-L174 HydrophobicContact CB-CD1 4.11Å; A159-L174 HydrophobicContact CB-CD2 4.16Å
160I87.9Confident85.6Confident106 Ų10671.9 Ų71.954%0.54436%0.364SS..Hα-helixtrans-65.4-45173.9-66.5163.6000110.4R156 A157 L158 L162 E163 V222R156-I160 WeakPolarHBondContact O-CG1 3.38Å; R156-I160 PolarHBondContact O-N 3.26Å; A157-I160 WeakPolarHBondContact O-CB 3.3Å; A157-I160 PolarHBondContact O-N 2.78Å; L158-I160 VanDerWaalsContact C-N 3.32Å; L158-I160 PolarHBondContact O-N 3.31Å; I160-L162 VanDerWaalsContact C-N 3.27Å; I160-L162 PolarHBondContact O-N 3.23Å; I160-E163 VanDerWaalsContact O-CB 3.22Å; I160-E163 WeakPolarHBondContact O-CB 3.22Å; I160-E163 PolarHBondContact O-N 2.82Å; I160-V222 HydrophobicContact CD1-CG2 4.37Å
161I87.1Confident86.3Confident38 Ų3874 Ų7420%0.19537%0.374CS..Hα-helixtrans-60.7-39.7179.1-65.1168.8000111.3G43 W71 F75 A157 L158 E163G43-I161 VanDerWaalsContact C-CD1 3.44Å; G43-I161 WeakPolarHBondContact O-CD1 3.43Å; G43-I161 WeakPolarHBondContact O-CG1 3.4Å; W71-I161 HydrophobicContact CB-CD1 4.16Å; W71-I161 HydrophobicContact CB-CG2 4.45Å; W71-I161 HydrophobicContact CD2-CG2 3.85Å; W71-I161 HydrophobicContact CE3-CG2 4.29Å; W71-I161 HydrophobicContact CG-CG2 3.89Å; F75-I161 HydrophobicContact CD2-CD1 4.16Å; F75-I161 HydrophobicContact CE2-CD1 3.4Å; F75-I161 HydrophobicContact CZ-CD1 3.99Å; A157-I161 WeakPolarHBondContact O-CG1 3.46Å; A157-I161 PolarHBondContact O-N 2.78Å; L158-I161 PolarHBondContact O-N 3.06Å; I161-E163 VanDerWaalsContact C-N 3.31Å; I161-E163 PolarHBondContact O-N 3.4Å
162L86.8Confident86.8Confident3 Ų376.3 Ų76.32%0.01639%0.386CS..THydrogen-bonded Turntrans-87.47.6-178-61.8178.2000113.7W71 L158 I160 R164 R165 R170 L173W71-L162 HydrophobicContact CH2-CD2 3.98Å; W71-L162 HydrophobicContact CZ2-CD2 4.23Å; L158-L162 HydrophobicContact CD1-CD1 3.87Å; L158-L162 HydrophobicContact CD1-CG 3.97Å; L158-L162 HydrophobicContact CD2-CD1 4.48Å; L158-L162 HydrophobicContact CG-CD1 3.84Å; L158-L162 HydrophobicContact CG-CG 4.31Å; L158-L162 WeakPolarHBondContact O-CB 3.43Å; L158-L162 VanDerWaalsContact O-CG 3.28Å; L158-L162 WeakPolarHBondContact O-CG 3.23Å; L158-L162 PolarHBondContact O-N 2.84Å; I160-L162 VanDerWaalsContact C-N 3.27Å; I160-L162 PolarHBondContact O-N 3.23Å; L162-R164 PolarHBondContact O-N 2.78Å; L162-R164 VanDerWaalsContact O-N 3.09Å; L162-R165 HydrophobicContact CB-CG 4.37Å; L162-R165 HydrophobicContact CD2-CG 4.03Å; L162-R165 WeakPolarHBondContact O-CB 3.41Å; L162-R165 PolarHBondContact O-N 3.03Å; L162-R170 HydrophobicContact CB-CB 4.5Å; L162-R170 HydrophobicContact CB-CG 3.93Å; L162-L173 HydrophobicContact CD1-CB 3.73Å; L162-L173 HydrophobicContact CD1-CD1 3.92Å; L162-L173 HydrophobicContact CD2-CD1 3.95Å
163E87.6Confident87.1Confident132 Ų13274.9 Ų74.962%0.61738%0.375SS*.THydrogen-bonded Turntrans-54.6-34.7-175.1-176.4-179.2-150.400113.1A159 I160 I161 R165A159-E163 PolarHBondContact O-N 3.09Å; I160-E163 VanDerWaalsContact O-CB 3.22Å; I160-E163 WeakPolarHBondContact O-CB 3.22Å; I160-E163 PolarHBondContact O-N 2.82Å; I161-E163 VanDerWaalsContact C-N 3.31Å; I161-E163 PolarHBondContact O-N 3.4Å; E163-R165 VanDerWaalsContact C-N 3.32Å; E163-R165 PolarHBondContact O-N 2.88Å
164R85.9Confident87.4Confident189 Ų18976 Ų7671%0.71338%0.381SS*.THydrogen-bonded Turntrans-83.1-1.2-180-59.4-175.3-176.1-156.4-3114.5L162L162-R164 PolarHBondContact O-N 2.78Å; L162-R164 VanDerWaalsContact O-N 3.09Å
165R85.9Confident87.6Confident142 Ų14278.4 Ų78.454%0.53639%0.392SS..SBendtrans-88.2152179.5-60.8-60.7-175.2167.50.1110.4L162 E163 T167 R170L162-R165 HydrophobicContact CB-CG 4.37Å; L162-R165 HydrophobicContact CD2-CG 4.03Å; L162-R165 WeakPolarHBondContact O-CB 3.41Å; L162-R165 PolarHBondContact O-N 3.03Å; E163-R165 VanDerWaalsContact C-N 3.32Å; E163-R165 PolarHBondContact O-N 2.88Å; R165-T167 PolarHBondContact O-N 3.35Å; R165-R170 HydrophobicContact CB-CB 4.49Å
166P91.1Very high87.6Confident89 Ų8978.5 Ų78.558%0.57840%0.399SS*.  trans-53.5140.3174-24.533.4000111.5V168 L169 R170P166-V168 VanDerWaalsContact C-N 3.28Å; P166-V168 PolarHBondContact O-N 3.34Å; P166-L169 HydrophobicContact CB-CB 4.45Å; P166-L169 PolarHBondContact O-N 3.33Å; P166-R170 PolarHBondContact O-N 3.18Å
167T88.9Confident87.5Confident119 Ų11973.3 Ų73.373%0.7338%0.38SS*.Hα-helixtrans-53-42.7-172.6-49.90000113.1R165 R170 L171R165-T167 PolarHBondContact O-N 3.35Å; T167-R170 PolarHBondContact O-N 3.32Å; T167-L171 WeakPolarHBondContact O-CB 3.38Å; T167-L171 PolarHBondContact O-N 3Å
168V90.6Very high87.4Confident107 Ų10773.6 Ų73.665%0.64838%0.383SS*.Hα-helixtrans-63-48.3178.1178.30000111.1P166 R170 L171 L172P166-V168 VanDerWaalsContact C-N 3.28Å; P166-V168 PolarHBondContact O-N 3.34Å; V168-R170 PolarHBondContact O-N 3.43Å; V168-L171 PolarHBondContact O-N 3.42Å; V168-L172 HydrophobicContact CG1-CD1 4.04Å; V168-L172 HydrophobicContact CG1-CG 4.45Å; V168-L172 WeakPolarHBondContact O-CB 3.35Å; V168-L172 VanDerWaalsContact O-CG 3.28Å; V168-L172 WeakPolarHBondContact O-CG 3.43Å; V168-L172 PolarHBondContact O-N 2.88Å
169L88.3Confident87.4Confident75 Ų7579 Ų7939%0.39341%0.411SS..Hα-helixtrans-63.8-41.7178179.761.9000111.5P166 L172 L173P166-L169 HydrophobicContact CB-CB 4.45Å; P166-L169 PolarHBondContact O-N 3.33Å; L169-L172 PolarHBondContact O-N 3.16Å; L169-L173 HydrophobicContact CD1-CD1 4.16Å; L169-L173 HydrophobicContact CD1-CG 4.16Å; L169-L173 HydrophobicContact CG-CD1 4.02Å; L169-L173 HydrophobicContact CG-CG 4.43Å; L169-L173 WeakPolarHBondContact O-CB 3.4Å; L169-L173 VanDerWaalsContact O-CG 3.28Å; L169-L173 WeakPolarHBondContact O-CG 3.26Å; L169-L173 PolarHBondContact O-N 3.18Å
170R89.1Confident87.1Confident77 Ų7780.9 Ų80.929%0.29142%0.42SS..Hα-helixtrans-58.7-48.2176177.4176.5176.4-175.9-0.9110.9A159 L162 R165 P166 T167 V168 L173 L174A159-R170 PolarHBondContact O-NE 3.07Å; A159-R170 PolarHBondContact O-NH2 2.86Å; L162-R170 HydrophobicContact CB-CB 4.5Å; L162-R170 HydrophobicContact CB-CG 3.93Å; R165-R170 HydrophobicContact CB-CB 4.49Å; P166-R170 PolarHBondContact O-N 3.18Å; T167-R170 PolarHBondContact O-N 3.32Å; V168-R170 PolarHBondContact O-N 3.43Å; R170-L173 PolarHBondContact O-N 3.3Å; R170-L174 HydrophobicContact CG-CD1 4.04Å; R170-L174 VanDerWaalsContact O-CG 3.27Å; R170-L174 WeakPolarHBondContact O-CG 3.39Å; R170-L174 PolarHBondContact O-N 3.2Å
171L88.5Confident86.6Confident107 Ų10777.8 Ų77.856%0.5641%0.406SS*.Hα-helixtrans-63.3-45.1178.3-176.764.2000111.6T167 V168 L173 L174 V175T167-L171 WeakPolarHBondContact O-CB 3.38Å; T167-L171 PolarHBondContact O-N 3Å; V168-L171 PolarHBondContact O-N 3.42Å; L171-L173 VanDerWaalsContact C-N 3.34Å; L171-L173 PolarHBondContact O-N 2.89Å; L171-L174 PolarHBondContact O-N 2.96Å; L171-V175 HydrophobicContact CD1-CG2 4.18Å; L171-V175 HydrophobicContact CG-CG2 4.36Å; L171-V175 WeakPolarHBondContact O-CB 3.47Å; L171-V175 VanDerWaalsContact O-CG2 3.31Å; L171-V175 WeakPolarHBondContact O-CG2 2.99Å; L171-V175 PolarHBondContact O-N 3.31Å
172L88.9Confident86.2Confident110 Ų11078.9 Ų78.958%0.57642%0.415SS*.Hα-helixtrans-58.1-45.1177.1-73.6172.6000111.9V168 L169 V175 A176V168-L172 HydrophobicContact CG1-CD1 4.04Å; V168-L172 HydrophobicContact CG1-CG 4.45Å; V168-L172 WeakPolarHBondContact O-CB 3.35Å; V168-L172 VanDerWaalsContact O-CG 3.28Å; V168-L172 WeakPolarHBondContact O-CG 3.43Å; V168-L172 PolarHBondContact O-N 2.88Å; L169-L172 PolarHBondContact O-N 3.16Å; L172-V175 PolarHBondContact O-N 2.69Å; L172-A176 VanDerWaalsContact O-CB 3.23Å; L172-A176 WeakPolarHBondContact O-CB 3.18Å; L172-A176 PolarHBondContact O-N 3.46Å
173L86.4Confident85.9Confident54 Ų5483.5 Ų83.528%0.28344%0.439SS..Hα-helixtrans-66.2-40178.3-71.2172.3000112.4L162 L169 R170 L171 F177L162-L173 HydrophobicContact CD1-CB 3.73Å; L162-L173 HydrophobicContact CD1-CD1 3.92Å; L162-L173 HydrophobicContact CD2-CD1 3.95Å; L169-L173 HydrophobicContact CD1-CD1 4.16Å; L169-L173 HydrophobicContact CD1-CG 4.16Å; L169-L173 HydrophobicContact CG-CD1 4.02Å; L169-L173 HydrophobicContact CG-CG 4.43Å; L169-L173 WeakPolarHBondContact O-CB 3.4Å; L169-L173 VanDerWaalsContact O-CG 3.28Å; L169-L173 WeakPolarHBondContact O-CG 3.26Å; L169-L173 PolarHBondContact O-N 3.18Å; R170-L173 PolarHBondContact O-N 3.3Å; L171-L173 VanDerWaalsContact C-N 3.34Å; L171-L173 PolarHBondContact O-N 2.89Å; L173-F177 WeakPolarHBondContact O-CB 3.47Å; L173-F177 PolarHBondContact O-N 2.92Å
174L87.8Confident85.2Confident29 Ų2979 Ų7915%0.15242%0.419CS..Hα-helixtrans-66-44176.7-71171000111.8L155 L158 A159 R170 L171 F177 A178L155-L174 HydrophobicContact CD2-CB 4.36Å; L155-L174 HydrophobicContact CD2-CD2 4.02Å; L158-L174 HydrophobicContact CB-CD2 4.01Å; L158-L174 HydrophobicContact CD2-CD2 3.96Å; L158-L174 HydrophobicContact CG-CD2 3.84Å; A159-L174 HydrophobicContact CB-CD1 4.11Å; A159-L174 HydrophobicContact CB-CD2 4.16Å; R170-L174 HydrophobicContact CG-CD1 4.04Å; R170-L174 VanDerWaalsContact O-CG 3.27Å; R170-L174 WeakPolarHBondContact O-CG 3.39Å; R170-L174 PolarHBondContact O-N 3.2Å; L171-L174 PolarHBondContact O-N 2.96Å; L174-F177 PolarHBondContact O-N 3.11Å; L174-A178 WeakPolarHBondContact O-CB 3.36Å; L174-A178 PolarHBondContact O-N 3.33Å
175V87.4Confident84.5Confident75 Ų7576 Ų7646%0.45541%0.413SS..Hα-helixtrans-64.5-45.5176.4171.80000110.4L171 L172 F177 A178 L179L171-V175 HydrophobicContact CD1-CG2 4.18Å; L171-V175 HydrophobicContact CG-CG2 4.36Å; L171-V175 WeakPolarHBondContact O-CB 3.47Å; L171-V175 VanDerWaalsContact O-CG2 3.31Å; L171-V175 WeakPolarHBondContact O-CG2 2.99Å; L171-V175 PolarHBondContact O-N 3.31Å; L172-V175 PolarHBondContact O-N 2.69Å; V175-F177 PolarHBondContact O-N 2.91Å; V175-A178 PolarHBondContact O-N 3.03Å; V175-L179 HydrophobicContact CG1-CD1 3.84Å; V175-L179 HydrophobicContact CG1-CG 4.23Å; V175-L179 WeakPolarHBondContact O-CB 3.37Å; V175-L179 VanDerWaalsContact O-CG 3.27Å; V175-L179 WeakPolarHBondContact O-CG 3.45Å; V175-L179 PolarHBondContact O-N 2.91Å
176A85.6Confident83.8Confident48 Ų4877 Ų7740%0.39742%0.421SS..Hα-helixtrans-59.9-44.8176.800000111.8L172 L179 V180L172-A176 VanDerWaalsContact O-CB 3.23Å; L172-A176 WeakPolarHBondContact O-CB 3.18Å; L172-A176 PolarHBondContact O-N 3.46Å; A176-L179 PolarHBondContact O-N 2.87Å; A176-V180 WeakPolarHBondContact O-CB 3.25Å; A176-V180 VanDerWaalsContact O-CG2 3.27Å; A176-V180 WeakPolarHBondContact O-CG2 3.42Å; A176-V180 PolarHBondContact O-N 3.3Å
177F84.6Confident82.7Confident7 Ų778.3 Ų78.33%0.03142%0.423CS..Hα-helixtrans-60.5-48.1175.8175.3-104.1000111.7F75 F76 L151 A154 L155 L158 L173 L174 V175 L179 V180 V181F75-F177 HydrophobicContact CB-CE2 4.35Å; F75-F177 HydrophobicContact CD1-CE2 4.1Å; F75-F177 AromaticContact CD1-CZ 3.97Å; F75-F177 HydrophobicContact CD1-CZ 3.97Å; F75-F177 VanDerWaalsContact O-CE2 3.26Å; F75-F177 WeakPolarHBondContact O-CE2 3.35Å; F76-F177 HydrophobicContact CD1-CD2 4.3Å; F76-F177 HydrophobicContact CE1-CB 4.31Å; F76-F177 AromaticContact CE1-CD2 3.99Å; F76-F177 HydrophobicContact CE1-CD2 3.99Å; L151-F177 HydrophobicContact CD1-CE1 4.17Å; A154-F177 HydrophobicContact CB-CE1 3.89Å; A154-F177 HydrophobicContact CB-CZ 4.01Å; L155-F177 HydrophobicContact CD2-CD1 3.8Å; L155-F177 HydrophobicContact CD2-CE1 4.4Å; L155-F177 HydrophobicContact CG-CD1 4.39Å; L158-F177 HydrophobicContact CD2-CB 3.74Å; L158-F177 HydrophobicContact CD2-CD1 3.84Å; L158-F177 HydrophobicContact CD2-CD2 4.23Å; L158-F177 HydrophobicContact CD2-CG 3.65Å; L173-F177 WeakPolarHBondContact O-CB 3.47Å; L173-F177 PolarHBondContact O-N 2.92Å; L174-F177 PolarHBondContact O-N 3.11Å; V175-F177 PolarHBondContact O-N 2.91Å; F177-L179 PolarHBondContact O-N 3.09Å; F177-V180 PolarHBondContact O-N 3.48Å; F177-V181 HydrophobicContact CD2-CG2 4.22Å; F177-V181 HydrophobicContact CE1-CG2 4.1Å; F177-V181 HydrophobicContact CE2-CG2 3.75Å; F177-V181 HydrophobicContact CZ-CG2 3.7Å; F177-V181 WeakPolarHBondContact O-CG2 3.27Å; F177-V181 PolarHBondContact O-N 3.2Å
178A84.6Confident81.4Confident23 Ų2376 Ų7619%0.1941%0.406CS..Hα-helixtrans-59.6-45.5177.200000111.9L155 L174 V175 V180 V181 V182L155-A178 HydrophobicContact CD1-CB 4.47Å; L155-A178 HydrophobicContact CD2-CB 4.29Å; L174-A178 WeakPolarHBondContact O-CB 3.36Å; L174-A178 PolarHBondContact O-N 3.33Å; V175-A178 PolarHBondContact O-N 3.03Å; A178-V180 PolarHBondContact O-N 3.23Å; A178-V181 PolarHBondContact O-N 3.44Å; A178-V182 WeakPolarHBondContact O-CB 3.49Å; A178-V182 VanDerWaalsContact O-CG2 3.24Å; A178-V182 WeakPolarHBondContact O-CG2 3.39Å; A178-V182 PolarHBondContact O-N 3.1Å
179L84.6Confident79.8Confident114 Ų11473.4 Ų73.460%0.59739%0.392SS*.Hα-helixtrans-61.6-43.1177.7-73.2173.9000111.8V175 A176 F177 L183V175-L179 HydrophobicContact CG1-CD1 3.84Å; V175-L179 HydrophobicContact CG1-CG 4.23Å; V175-L179 WeakPolarHBondContact O-CB 3.37Å; V175-L179 VanDerWaalsContact O-CG 3.27Å; V175-L179 WeakPolarHBondContact O-CG 3.45Å; V175-L179 PolarHBondContact O-N 2.91Å; A176-L179 PolarHBondContact O-N 2.87Å; F177-L179 PolarHBondContact O-N 3.09Å; L179-L183 WeakPolarHBondContact O-CB 3.39Å; L179-L183 PolarHBondContact O-N 3.47Å
180V80.9Confident78.2Confident54 Ų5474.2 Ų74.233%0.32740%0.402SS..Hα-helixtrans-63.8-47.9177.5168.50000110.8L80 A176 F177 A178 V182 L183 L184L80-V180 HydrophobicContact CD2-CG1 4.4Å; A176-V180 WeakPolarHBondContact O-CB 3.25Å; A176-V180 VanDerWaalsContact O-CG2 3.27Å; A176-V180 WeakPolarHBondContact O-CG2 3.42Å; A176-V180 PolarHBondContact O-N 3.3Å; F177-V180 PolarHBondContact O-N 3.48Å; A178-V180 PolarHBondContact O-N 3.23Å; V180-V182 VanDerWaalsContact C-N 3.35Å; V180-V182 PolarHBondContact O-N 3.27Å; V180-L183 PolarHBondContact O-N 3.38Å; V180-L184 HydrophobicContact CG1-CD1 3.59Å; V180-L184 HydrophobicContact CG1-CG 4.19Å; V180-L184 WeakPolarHBondContact O-CB 3.48Å; V180-L184 WeakPolarHBondContact O-CG 3.46Å; V180-L184 PolarHBondContact O-N 2.92Å
181V77.3Confident76.2Confident41 Ų4177.6 Ų77.625%0.24842%0.419CS..Hα-helixtrans-61.2-44.6179173.50000111.2L151 F177 A178 H185L151-V181 HydrophobicContact CD1-CB 4.14Å; L151-V181 HydrophobicContact CD1-CG1 4.02Å; L151-V181 HydrophobicContact CD1-CG2 4.42Å; F177-V181 HydrophobicContact CD2-CG2 4.22Å; F177-V181 HydrophobicContact CE1-CG2 4.1Å; F177-V181 HydrophobicContact CE2-CG2 3.75Å; F177-V181 HydrophobicContact CZ-CG2 3.7Å; F177-V181 WeakPolarHBondContact O-CG2 3.27Å; F177-V181 PolarHBondContact O-N 3.2Å; A178-V181 PolarHBondContact O-N 3.44Å; V181-H185 WeakPolarHBondContact O-CB 3.38Å; V181-H185 PolarHBondContact O-N 2.81Å
182V80.5Confident74.1Confident62 Ų6274.4 Ų74.438%0.37640%0.404SS..Hα-helixtrans-64.4-45.8177.2171.40000110.8L151 A178 V180 H185 F186L151-V182 HydrophobicContact CD2-CG2 4.3Å; A178-V182 WeakPolarHBondContact O-CB 3.49Å; A178-V182 VanDerWaalsContact O-CG2 3.24Å; A178-V182 WeakPolarHBondContact O-CG2 3.39Å; A178-V182 PolarHBondContact O-N 3.1Å; V180-V182 VanDerWaalsContact C-N 3.35Å; V180-V182 PolarHBondContact O-N 3.27Å; V182-H185 WeakPolarHBondContact O-CB 3.44Å; V182-H185 PolarHBondContact O-N 3.08Å; V182-F186 HydrophobicContact CG1-CD2 3.68Å; V182-F186 HydrophobicContact CG1-CE2 3.84Å; V182-F186 WeakPolarHBondContact O-CD2 3.22Å; V182-F186 PolarHBondContact O-N 3.27Å
183L79.6Confident72Confident99 Ų9973.5 Ų73.552%0.51841%0.412SS..Hα-helixtrans-61.4-46.6179-178.568.2000111.3L179 V180 H185 F186 L187L179-L183 WeakPolarHBondContact O-CB 3.39Å; L179-L183 PolarHBondContact O-N 3.47Å; V180-L183 PolarHBondContact O-N 3.38Å; L183-H185 VanDerWaalsContact C-N 3.32Å; L183-H185 PolarHBondContact O-N 3.35Å; L183-F186 PolarHBondContact O-N 2.9Å; L183-L187 HydrophobicContact CD1-CD1 3.59Å; L183-L187 HydrophobicContact CD1-CG 3.81Å; L183-L187 HydrophobicContact CD2-CD1 4.2Å; L183-L187 HydrophobicContact CG-CD1 3.61Å; L183-L187 HydrophobicContact CG-CG 4.12Å; L183-L187 VanDerWaalsContact O-CB 3.25Å; L183-L187 WeakPolarHBondContact O-CB 3.17Å; L183-L187 VanDerWaalsContact O-CG 3.29Å; L183-L187 WeakPolarHBondContact O-CG 3.28Å; L183-L187 PolarHBondContact O-N 2.71Å
184L72.9Confident69.6Low39 Ų3977.4 Ų77.420%0.20443%0.433CS..Hα-helixtrans-62.5-41.2176.1-69.1167.9000110.9S79 L80 V180 L188S79-L184 WeakPolarHBondContact O-CD1 3.37Å; L80-L184 HydrophobicContact CD2-CD1 4.41Å; V180-L184 HydrophobicContact CG1-CD1 3.59Å; V180-L184 HydrophobicContact CG1-CG 4.19Å; V180-L184 WeakPolarHBondContact O-CB 3.48Å; V180-L184 WeakPolarHBondContact O-CG 3.46Å; V180-L184 PolarHBondContact O-N 2.92Å; L184-L188 HydrophobicContact CB-CD1 4.31Å; L184-L188 HydrophobicContact CD2-CD1 3.44Å; L184-L188 VanDerWaalsContact CD2-CD1 3.44Å; L184-L188 HydrophobicContact CD2-CG 4.41Å; L184-L188 HydrophobicContact CG-CD1 4.47Å; L184-L188 WeakPolarHBondContact O-CA 3.42Å; L184-L188 WeakPolarHBondContact O-CB 3.47Å; L184-L188 PolarHBondContact O-N 3.28Å
185H70.8Confident67.1Low126 Ų12683.6 Ų83.658%0.58346%0.459SS*.Hα-helixtrans-60.4-48.8174.5-169.277.8000111.1V181 V182 L183 S189V181-H185 WeakPolarHBondContact O-CB 3.38Å; V181-H185 PolarHBondContact O-N 2.81Å; V182-H185 WeakPolarHBondContact O-CB 3.44Å; V182-H185 PolarHBondContact O-N 3.08Å; L183-H185 VanDerWaalsContact C-N 3.32Å; L183-H185 PolarHBondContact O-N 3.35Å; H185-S189 WeakPolarHBondContact O-CA 3.28Å; H185-S189 WeakPolarHBondContact O-CB 3.36Å; H185-S189 PolarHBondContact O-N 3.36Å
186F72.4Confident65.1Low162 Ų16285.3 Ų85.371%0.71146%0.461SS*.Hα-helixtrans-69.1-41.1180-87.1-79.2000114V182 L183V182-F186 HydrophobicContact CG1-CD2 3.68Å; V182-F186 HydrophobicContact CG1-CE2 3.84Å; V182-F186 WeakPolarHBondContact O-CD2 3.22Å; V182-F186 PolarHBondContact O-N 3.27Å; L183-F186 PolarHBondContact O-N 2.9Å
187L66.9Low63.7Low116 Ų11686.8 Ų86.861%0.60747%0.466SS*.Hα-helixtrans-77.7-39.8-177.2-70.7-178.6000112.6L183L183-L187 HydrophobicContact CD1-CD1 3.59Å; L183-L187 HydrophobicContact CD1-CG 3.81Å; L183-L187 HydrophobicContact CD2-CD1 4.2Å; L183-L187 HydrophobicContact CG-CD1 3.61Å; L183-L187 HydrophobicContact CG-CG 4.12Å; L183-L187 VanDerWaalsContact O-CB 3.25Å; L183-L187 WeakPolarHBondContact O-CB 3.17Å; L183-L187 VanDerWaalsContact O-CG 3.29Å; L183-L187 WeakPolarHBondContact O-CG 3.28Å; L183-L187 PolarHBondContact O-N 2.71Å
188L61.7Low63.1Low72 Ų7289.1 Ų89.138%0.37748%0.477SS..Hα-helixtrans-104.8-16.7-170-58171.7000113.3L184 P190 F191 T192L184-L188 HydrophobicContact CB-CD1 4.31Å; L184-L188 HydrophobicContact CD2-CD1 3.44Å; L184-L188 VanDerWaalsContact CD2-CD1 3.44Å; L184-L188 HydrophobicContact CD2-CG 4.41Å; L184-L188 HydrophobicContact CG-CD1 4.47Å; L184-L188 WeakPolarHBondContact O-CA 3.42Å; L184-L188 WeakPolarHBondContact O-CB 3.47Å; L184-L188 PolarHBondContact O-N 3.28Å; L188-P190 VanDerWaalsContact C-CD 3.41Å; L188-P190 VanDerWaalsContact C-N 3.32Å; L188-P190 VanDerWaalsContact O-N 3.09Å; L188-F191 CarbonylContact O-C 3.47Å; L188-F191 WeakPolarHBondContact O-CA 3.29Å; L188-F191 PolarHBondContact O-N 3.02Å; L188-T192 VanDerWaalsContact C-OG1 3.26Å; L188-T192 HydrophobicContact CB-CG2 3.46Å; L188-T192 VanDerWaalsContact CB-CG2 3.46Å; L188-T192 HydrophobicContact CD1-CG2 4.18Å; L188-T192 HydrophobicContact CG-CG2 4.37Å; L188-T192 PolarHBondContact O-N 3.22Å; L188-T192 PolarHBondContact O-OG1 3.32Å
189S57.6Low62.8Low52 Ų5288.6 Ų88.636%0.36447%0.47SS..Hα-helixtrans-43.2-45.4178.9171.30000115.2H185 F191H185-S189 WeakPolarHBondContact O-CA 3.28Å; H185-S189 WeakPolarHBondContact O-CB 3.36Å; H185-S189 PolarHBondContact O-N 3.36Å; S189-F191 VanDerWaalsContact C-N 3.3Å; S189-F191 PolarHBondContact O-N 3.46Å
190P53.6Low62.7Low91 Ų9183.3 Ų83.359%0.59144%0.442SS*.Hα-helixtrans-71.2-19177.526.6-33.2000114.6L188L188-P190 VanDerWaalsContact C-CD 3.41Å; L188-P190 VanDerWaalsContact C-N 3.32Å; L188-P190 VanDerWaalsContact O-N 3.09Å
191F47.6Very low62.8Low149 Ų14984.1 Ų84.165%0.65445%0.445SS*.Hα-helixtrans-104.8-34-179.8-98-92.5000113.6L188 S189 L194L188-F191 CarbonylContact O-C 3.47Å; L188-F191 WeakPolarHBondContact O-CA 3.29Å; L188-F191 PolarHBondContact O-N 3.02Å; S189-F191 VanDerWaalsContact C-N 3.3Å; S189-F191 PolarHBondContact O-N 3.46Å; F191-L194 PolarHBondContact O-N 3.24Å
192T44.2Very low63.1Low39 Ų3987.6 Ų87.624%0.23945%0.453CS..Hα-helixtrans-74.7-27.7-178.844.80000112.8L188 L194 F195 H196L188-T192 VanDerWaalsContact C-OG1 3.26Å; L188-T192 HydrophobicContact CB-CG2 3.46Å; L188-T192 VanDerWaalsContact CB-CG2 3.46Å; L188-T192 HydrophobicContact CD1-CG2 4.18Å; L188-T192 HydrophobicContact CG-CG2 4.37Å; L188-T192 PolarHBondContact O-N 3.22Å; L188-T192 PolarHBondContact O-OG1 3.32Å; T192-L194 PolarHBondContact O-N 2.71Å; T192-L194 VanDerWaalsContact O-N 3.1Å; T192-F195 PolarHBondContact O-N 2.88Å; T192-F195 VanDerWaalsContact O-N 3.07Å; T192-H196 HydrophobicContact CG2-CB 4.35Å; T192-H196 PolarHBondContact O-N 2.63Å
193A45Very low63.3Low91 Ų9184.9 Ų84.975%0.75244%0.437SS*.THydrogen-bonded Turntrans-58.4-22173.200000112.8
194L36.6Very low63.6Low136 Ų13681.7 Ų81.771%0.71242%0.419SS*.THydrogen-bonded Turntrans-89.2-20.6176.3-90.6124.4000114.8F191 T192F191-L194 PolarHBondContact O-N 3.24Å; T192-L194 PolarHBondContact O-N 2.71Å; T192-L194 VanDerWaalsContact O-N 3.1Å
195F35.2Very low64.1Low160 Ų16085.7 Ų85.770%0.70244%0.441SS*.THydrogen-bonded Turntrans-134.2-21.9-167.7-65.6-73.9000115.6T192T192-F195 PolarHBondContact O-N 2.88Å; T192-F195 VanDerWaalsContact O-N 3.07Å
196H45.8Very low64.5Low110 Ų11080 Ų8051%0.50942%0.415SS..  trans-113.787.3179.1-79.8-79.5000109.5T192 H198T192-H196 HydrophobicContact CG2-CB 4.35Å; T192-H196 PolarHBondContact O-N 2.63Å; H196-H198 PolarHBondContact O-N 3.01Å
197T54.7Low65Low80 Ų8074.2 Ų74.249%0.49140%0.401SS..  trans-66125.7162.640.60000108R202T197-R202 WeakPolarHBondContact OG1-CD 3.49Å; T197-R202 VanDerWaalsContact OG1-CG 3.28Å; T197-R202 WeakPolarHBondContact OG1-CG 3.32Å
198H73.1Confident66.1Low55 Ų5568.8 Ų68.826%0.25537%0.372SS..  trans-60.6147179.9-174.7-121.3000109D148 S149 H196 Y200 D201 R202D148-H198 IonicContact OD1-CE1 3.52Å; D148-H198 IonicContact OD1-ND1 3.53Å; S149-H198 VanDerWaalsContact CB-CE1 3.45Å; S149-H198 WeakPolarHBondContact CB-CE1 3.44Å; S149-H198 WeakPolarHBondContact CB-NE2 3.23Å; S149-H198 PolarHBondContact OG-CE1 3.49Å; S149-H198 PolarHBondContact OG-NE2 2.86Å; H196-H198 PolarHBondContact O-N 3.01Å; H198-Y200 WeakPolarHBondContact ND1-CB 3.28Å; H198-Y200 PolarHBondContact O-N 3.18Å; H198-D201 WeakPolarHBondContact CB-OD2 3.37Å; H198-D201 PolarHBondContact N-OD2 3.29Å; H198-D201 PolarHBondContact O-N 2.95Å; H198-D201 VanDerWaalsContact O-N 3.08Å; H198-R202 PolarHBondContact O-N 3.2Å
199F78.3Confident67.5Low13 Ų1371.9 Ų71.96%0.05739%0.385CS..Hα-helixtrans-58.3-29.5-176.871.2-99.2000111.9N113 V116 M117 R120 P146 G147 S149 R202 L203N113-F199 HydrophobicContact CB-CZ 4.07Å; V116-F199 HydrophobicContact CB-CD2 4.47Å; V116-F199 HydrophobicContact CB-CE2 4.38Å; V116-F199 HydrophobicContact CG1-CD2 3.44Å; V116-F199 VanDerWaalsContact CG1-CD2 3.44Å; V116-F199 HydrophobicContact CG1-CE2 3.64Å; M117-F199 HydrophobicContact CE-CD1 3.98Å; M117-F199 HydrophobicContact CE-CE1 3.44Å; M117-F199 VanDerWaalsContact CE-CE1 3.44Å; M117-F199 HydrophobicContact CE-CZ 4.25Å; M117-F199 HydrophobicContact CG-CD1 3.61Å; M117-F199 HydrophobicContact CG-CE1 3.84Å; M117-F199 HydrophobicContact CG-CG 4.02Å; M117-F199 HydrophobicContact CG-CZ 4.49Å; M117-F199 HydrophobicContact SD-CE1 4.45Å; R120-F199 HydrophobicContact CG-CB 4.04Å; P146-F199 HydrophobicContact CB-CE2 4.47Å; G147-F199 WeakPolarHBondContact O-CZ 3.09Å; S149-F199 WeakPolarHBondContact OG-CE1 3.41Å; S149-F199 VanDerWaalsContact OG-CZ 3.27Å; S149-F199 WeakPolarHBondContact OG-CZ 3.39Å; F199-R202 PolarHBondContact O-N 3.47Å; F199-L203 WeakPolarHBondContact O-CD1 3.25Å; F199-L203 PolarHBondContact O-N 3.35Å
200Y82.8Confident69.4Low2 Ų271.8 Ų71.81%0.00838%0.377CS..Hα-helixtrans-64.4-50.7177.8-172.6-86.6000110.1P146 D148 H198 R202 L203 Q204 D227 R230 M231P146-Y200 HydrophobicContact CB-CD2 4.06Å; P146-Y200 HydrophobicContact CB-CE2 4.33Å; P146-Y200 HydrophobicContact CG-CD2 4.35Å; P146-Y200 HydrophobicContact CG-CE2 4.23Å; D148-Y200 HydrophobicContact CB-CD1 4.42Å; D148-Y200 HydrophobicContact CB-CD2 4.14Å; D148-Y200 HydrophobicContact CB-CE1 4.49Å; D148-Y200 HydrophobicContact CB-CE2 4.2Å; D148-Y200 HydrophobicContact CB-CG 4.26Å; H198-Y200 WeakPolarHBondContact ND1-CB 3.28Å; H198-Y200 PolarHBondContact O-N 3.18Å; Y200-R202 VanDerWaalsContact C-N 3.27Å; Y200-R202 PolarHBondContact O-N 3.45Å; Y200-L203 WeakPolarHBondContact O-CB 3.39Å; Y200-L203 PolarHBondContact O-N 3.15Å; Y200-Q204 HydrophobicContact CE1-CG 4.39Å; Y200-Q204 PolarHBondContact O-N 3.42Å; Y200-Q204 VanDerWaalsContact O-N 3.15Å; Y200-D227 HydrophobicContact CE2-CB 4.29Å; Y200-D227 PolarHBondContact OH-O 3.19Å; Y200-R230 PolarHBondContact OH-NE 3.37Å; Y200-M231 HydrophobicContact CD1-CE 4.04Å; Y200-M231 HydrophobicContact CD2-CE 3.85Å; Y200-M231 HydrophobicContact CE1-CE 3.9Å; Y200-M231 HydrophobicContact CE2-CB 4.38Å; Y200-M231 HydrophobicContact CE2-CE 3.72Å; Y200-M231 HydrophobicContact CG-CE 3.99Å; Y200-M231 WeakPolarHBondContact O-CE 3.3Å; Y200-M231 PolarHBondContact OH-N 3.48Å
201D83.3Confident71.5Confident71 Ų7168.7 Ų68.738%0.3836%0.357SS..Hα-helixtrans-59.9-39.7176.2-48.2-20.2000111.3H198 L203 Q204 D205H198-D201 WeakPolarHBondContact CB-OD2 3.37Å; H198-D201 PolarHBondContact N-OD2 3.29Å; H198-D201 PolarHBondContact O-N 2.95Å; H198-D201 VanDerWaalsContact O-N 3.08Å; D201-L203 VanDerWaalsContact C-N 3.26Å; D201-L203 PolarHBondContact O-N 3.4Å; D201-Q204 WeakPolarHBondContact O-CB 3.48Å; D201-Q204 PolarHBondContact O-N 3.42Å; D201-D205 PolarHBondContact O-N 3.47Å
202R82.9Confident73.9Confident115 Ų11561.8 Ų61.843%0.43433%0.326SS..Hα-helixtrans-66.7-26.8176.2-71-73.2-92.2-164.4-1.1113.4E124 T197 H198 F199 Y200 D205 S206E124-R202 IonicContact OE2-NH2 3.22Å; T197-R202 WeakPolarHBondContact OG1-CD 3.49Å; T197-R202 VanDerWaalsContact OG1-CG 3.28Å; T197-R202 WeakPolarHBondContact OG1-CG 3.32Å; H198-R202 PolarHBondContact O-N 3.2Å; F199-R202 PolarHBondContact O-N 3.47Å; Y200-R202 VanDerWaalsContact C-N 3.27Å; Y200-R202 PolarHBondContact O-N 3.45Å; R202-D205 CarbonylContact O-C 3.53Å; R202-S206 VanDerWaalsContact O-CA 3.24Å; R202-S206 WeakPolarHBondContact O-CA 3.5Å; R202-S206 WeakPolarHBondContact O-CB 3.4Å; R202-S206 PolarHBondContact O-N 3.38Å
203L85.6Confident76.5Confident4 Ų459.9 Ų59.92%0.02132%0.315CS..Hα-helixtrans-74.6-38.2174.2-11178.9000111.4V116 R120 L123 F142 P146 F199 Y200 D201 D205 S206 M231V116-L203 HydrophobicContact CG1-CD1 3.75Å; V116-L203 HydrophobicContact CG1-CD2 3.63Å; V116-L203 HydrophobicContact CG1-CG 4.34Å; R120-L203 HydrophobicContact CB-CD1 3.72Å; L123-L203 HydrophobicContact CD1-CD1 4.42Å; L123-L203 HydrophobicContact CD1-CG 4.5Å; F142-L203 HydrophobicContact CE1-CD2 3.71Å; F142-L203 HydrophobicContact CZ-CD2 3.78Å; P146-L203 HydrophobicContact CB-CD2 4.18Å; P146-L203 HydrophobicContact CG-CD2 4.05Å; F199-L203 WeakPolarHBondContact O-CD1 3.25Å; F199-L203 PolarHBondContact O-N 3.35Å; Y200-L203 WeakPolarHBondContact O-CB 3.39Å; Y200-L203 PolarHBondContact O-N 3.15Å; D201-L203 VanDerWaalsContact C-N 3.26Å; D201-L203 PolarHBondContact O-N 3.4Å; L203-D205 PolarHBondContact O-N 2.95Å; L203-S206 VanDerWaalsContact O-CB 3.28Å; L203-S206 WeakPolarHBondContact O-CB 3.27Å; L203-S206 PolarHBondContact O-N 2.95Å; L203-S206 PolarHBondContact O-OG 3.34Å; L203-S206 VanDerWaalsContact O-OG 3.06Å; L203-M231 HydrophobicContact CB-CE 3.82Å; L203-M231 HydrophobicContact CB-SD 4.28Å
204Q85.9Confident79Confident33 Ų3355.6 Ų55.615%0.15428%0.279CS..Hα-helixtrans-57.1-51.3177.3-65.1174.2-44.900110.2Y200 D201 S206 M231 E234 R235Y200-Q204 HydrophobicContact CE1-CG 4.39Å; Y200-Q204 PolarHBondContact O-N 3.42Å; Y200-Q204 VanDerWaalsContact O-N 3.15Å; D201-Q204 WeakPolarHBondContact O-CB 3.48Å; D201-Q204 PolarHBondContact O-N 3.42Å; Q204-S206 PolarHBondContact O-N 2.95Å; Q204-M231 HydrophobicContact CG-CE 3.56Å; Q204-M231 HydrophobicContact CG-SD 3.76Å; Q204-E234 HydrophobicContact CG-CB 4.21Å; Q204-E234 HydrophobicContact CG-CG 4.46Å; Q204-R235 PolarHBondContact O-NH1 2.91Å
205D81.6Confident82Confident123 Ų12349.1 Ų49.166%0.65825%0.245SC*.THydrogen-bonded Turntrans-98.437.5178.1-16923.7000112.8D201 R202 L203 G207D201-D205 PolarHBondContact O-N 3.47Å; R202-D205 CarbonylContact O-C 3.53Å; L203-D205 PolarHBondContact O-N 2.95Å; D205-G207 PolarHBondContact O-N 2.82Å; D205-G207 VanDerWaalsContact O-N 3.08Å
206S80.2Confident85Confident7 Ų742.4 Ų42.45%0.04922%0.215CC..  trans-69.5-6.3-174.960.70000114.6Q127 R202 L203 Q204 S208 R235Q127-S206 PolarHBondContact NE2-O 3.42Å; R202-S206 VanDerWaalsContact O-CA 3.24Å; R202-S206 WeakPolarHBondContact O-CA 3.5Å; R202-S206 WeakPolarHBondContact O-CB 3.4Å; R202-S206 PolarHBondContact O-N 3.38Å; L203-S206 VanDerWaalsContact O-CB 3.28Å; L203-S206 WeakPolarHBondContact O-CB 3.27Å; L203-S206 PolarHBondContact O-N 2.95Å; L203-S206 PolarHBondContact O-OG 3.34Å; L203-S206 VanDerWaalsContact O-OG 3.06Å; Q204-S206 PolarHBondContact O-N 2.95Å; S206-S208 PolarHBondContact O-N 3.09Å; S206-S208 PolarHBondContact OG-OG 3.22Å; S206-R235 PolarHBondContact OG-NH1 3.34Å
207G82.1Confident87.5Confident39 Ų3937.1 Ų37.140%0.40219%0.191SC..  trans60.79.8-174.100000114.7D205 H209D205-G207 PolarHBondContact O-N 2.82Å; D205-G207 VanDerWaalsContact O-N 3.08Å; G207-H209 PolarHBondContact O-CD2 2.93Å
208S90.8Very high89.5Confident2 Ų241 Ų411%0.01420%0.196CC..  trans-85141.9173.464.40000110.5S206 R235S206-S208 PolarHBondContact O-N 3.09Å; S206-S208 PolarHBondContact OG-OG 3.22Å; S208-R235 PolarHBondContact O-NH2 2.77Å; S208-R235 PolarHBondContact OG-NH2 2.99Å
209H91.8Very high90.7Very high138 Ų13840.5 Ų40.564%0.63920%0.202SC*.  trans-127.96.4-176-63.6-77000113.4G207G207-H209 PolarHBondContact O-CD2 2.93Å
210W95.8Very high91.5Very high50 Ų5040.5 Ų40.519%0.18920%0.202CC..SBendtrans-75.8158175.149.674.8000111.1Y119 L123 L126 V137 T140 V240Y119-W210 WeakPolarHBondContact OH-CZ2 3.24Å; Y119-W210 PolarHBondContact OH-NE1 2.7Å; L123-W210 HydrophobicContact CD2-CH2 3.76Å; L123-W210 HydrophobicContact CD2-CZ2 3.36Å; L126-W210 HydrophobicContact CD1-CH2 4.09Å; V137-W210 HydrophobicContact CB-CD2 3.91Å; V137-W210 HydrophobicContact CB-CE3 3.82Å; V137-W210 HydrophobicContact CB-CH2 4.02Å; V137-W210 HydrophobicContact CB-CZ2 4.09Å; V137-W210 HydrophobicContact CB-CZ3 3.89Å; V137-W210 HydrophobicContact CG1-CD2 3.66Å; V137-W210 VanDerWaalsContact CG1-CE2 3.5Å; V137-W210 HydrophobicContact CG1-CE3 4.12Å; V137-W210 HydrophobicContact CG1-CG 4.05Å; V137-W210 HydrophobicContact CG1-CH2 4.23Å; V137-W210 HydrophobicContact CG1-CZ2 3.77Å; V137-W210 HydrophobicContact CG1-CZ3 4.4Å; V137-W210 HydrophobicContact CG2-CH2 4.18Å; V137-W210 HydrophobicContact CG2-CZ2 4.42Å; V137-W210 HydrophobicContact CG2-CZ3 4.36Å; T140-W210 PolarHBondContact OG1-NE1 3.37Å; W210-V240 WeakPolarHBondContact O-CG1 3.42Å
211P97.8Very high91.9Very high26 Ų2646.8 Ų46.817%0.16923%0.232CC..  trans-56.1146177.6-2634.1000113.9V138 G139 T140 L241 F270V138-P211 WeakPolarHBondContact O-CD 3.49Å; G139-P211 CarbonylContact C-O 3.56Å; G139-P211 WeakPolarHBondContact CA-O 3.36Å; T140-P211 PolarHBondContact N-O 2.92Å; P211-L241 CarbonylContact C-O 3.54Å; P211-L241 VanDerWaalsContact CA-O 3.27Å; P211-L241 WeakPolarHBondContact CA-O 3.45Å; P211-L241 HydrophobicContact CB-CB 4.29Å; P211-L241 HydrophobicContact CB-CD2 4.16Å; P211-L241 HydrophobicContact CB-CG 4.42Å; P211-L241 HydrophobicContact CG-CB 4.36Å; P211-L241 HydrophobicContact CG-CD2 4.02Å; P211-F270 HydrophobicContact CB-CE2 3.92Å; P211-F270 HydrophobicContact CB-CZ 4.15Å; P211-F270 WeakPolarHBondContact O-CZ 3.29Å
212E98.4Very high92.2Very high3 Ų344.2 Ų44.21%0.01422%0.218CC..EExtended strand (participates in β ladder)trans-128.2138.4-179.9-67.9171.7173.200111.1T140 F142 Y214 R235 V240 L241 V242 R243T140-E212 CarbonylContact O-C 3.55Å; T140-E212 VanDerWaalsContact O-CA 3.3Å; T140-E212 WeakPolarHBondContact O-CA 3.17Å; F142-E212 HydrophobicContact CE2-CG 4.24Å; E212-Y214 HydrophobicContact CB-CD2 4.43Å; E212-Y214 HydrophobicContact CB-CE2 3.75Å; E212-Y214 PolarHBondContact OE2-OH 3.09Å; E212-R235 IonicContact OE1-CZ 2.64Å; E212-R235 IonicContact OE1-NE 3.64Å; E212-R235 PolarHBondContact OE1-NE 3.4Å; E212-R235 VanDerWaalsContact OE1-NE 3.15Å; E212-R235 IonicContact OE1-NH2 3.54Å; E212-R235 PolarHBondContact OE1-NH2 3.2Å; E212-R235 WeakPolarHBondContact OE2-CG 3.28Å; E212-R235 IonicContact OE2-CZ 3.74Å; E212-R235 IonicContact OE2-NE 3.51Å; E212-R235 PolarHBondContact OE2-NE 3.15Å; E212-R235 VanDerWaalsContact OE2-NE 3.09Å; E212-R235 IonicContact OE2-NH2 2.7Å; E212-V240 HydrophobicContact CG-CG1 4.11Å; E212-L241 PolarHBondContact N-O 3.27Å; E212-V242 HydrophobicContact CB-CG2 4.43Å; E212-V242 WeakPolarHBondContact O-CA 3.41Å; E212-R243 PolarHBondContact O-N 3.14Å
213L98.8Very high92.6Very high0 Ų038.9 Ų38.90%020%0.199CC..EExtended strand (participates in β ladder)trans-119.7119.3173.6173.664.1000110T140 V141 F142 L215 R243 L266 F270T140-L213 PolarHBondContact O-N 2.93Å; V141-L213 CarbonylContact C-O 3.4Å; V141-L213 WeakPolarHBondContact CA-O 3.32Å; V141-L213 HydrophobicContact CG1-CB 4.46Å; V141-L213 HydrophobicContact CG1-CD2 4.16Å; V141-L213 HydrophobicContact CG1-CG 4.32Å; V141-L213 HydrophobicContact CG2-CB 4.31Å; V141-L213 HydrophobicContact CG2-CD2 4.22Å; F142-L213 PolarHBondContact N-O 3.19Å; L213-L215 HydrophobicContact CD1-CD2 3.91Å; L213-L215 HydrophobicContact CD2-CD1 4.4Å; L213-L215 HydrophobicContact CD2-CD2 4.01Å; L213-L215 HydrophobicContact CD2-CG 4.28Å; L213-L215 HydrophobicContact CG-CD2 3.87Å; L213-L215 HydrophobicContact CG-CG 4.11Å; L213-R243 CarbonylContact C-O 3.59Å; L213-R243 VanDerWaalsContact CA-O 3.28Å; L213-R243 WeakPolarHBondContact CA-O 3.28Å; L213-R243 HydrophobicContact CD1-CB 3.95Å; L213-R243 HydrophobicContact CD1-CG 3.84Å; L213-L266 HydrophobicContact CD2-CB 4.5Å; L213-F270 HydrophobicContact CB-CD1 3.97Å; L213-F270 HydrophobicContact CB-CD2 3.72Å; L213-F270 HydrophobicContact CB-CE1 3.97Å; L213-F270 HydrophobicContact CB-CE2 3.73Å; L213-F270 HydrophobicContact CB-CG 3.82Å; L213-F270 HydrophobicContact CB-CZ 3.84Å; L213-F270 HydrophobicContact CD2-CB 3.77Å; L213-F270 HydrophobicContact CD2-CD1 4.24Å; L213-F270 HydrophobicContact CD2-CD2 4.42Å; L213-F270 HydrophobicContact CD2-CG 3.9Å; L213-F270 HydrophobicContact CG-CG 4.47Å
214Y98.8Very high93Very high1 Ų140.7 Ų40.70%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-102.5120.3176.1-66.6-95.1000110.7F142 P146 E212 V228 M231 V232 V242 R243 S244 V245F142-Y214 HydrophobicContact CB-CD1 3.71Å; F142-Y214 HydrophobicContact CB-CE1 3.94Å; F142-Y214 HydrophobicContact CB-CG 4.41Å; F142-Y214 AromaticContact CD2-CD1 3.95Å; F142-Y214 HydrophobicContact CD2-CD1 3.95Å; F142-Y214 AromaticContact CD2-CE1 3.41Å; F142-Y214 HydrophobicContact CD2-CE1 3.41Å; F142-Y214 VanDerWaalsContact CD2-CE1 3.41Å; F142-Y214 HydrophobicContact CD2-CE2 4.16Å; F142-Y214 AromaticContact CD2-CZ 3.54Å; F142-Y214 HydrophobicContact CE2-CE1 4.07Å; F142-Y214 AromaticContact CE2-CZ 3.88Å; F142-Y214 HydrophobicContact CG-CD1 4.11Å; F142-Y214 AromaticContact CG-CE1 3.81Å; F142-Y214 HydrophobicContact CG-CE1 3.81Å; P146-Y214 HydrophobicContact CG-CE1 4.4Å; E212-Y214 HydrophobicContact CB-CD2 4.43Å; E212-Y214 HydrophobicContact CB-CE2 3.75Å; E212-Y214 PolarHBondContact OE2-OH 3.09Å; Y214-V228 HydrophobicContact CD1-CG1 3.8Å; Y214-V228 HydrophobicContact CG-CG1 4.23Å; Y214-M231 HydrophobicContact CE1-CG 3.81Å; Y214-M231 WeakPolarHBondContact OH-CG 3.48Å; Y214-V232 HydrophobicContact CD1-CG2 4.25Å; Y214-V232 HydrophobicContact CD2-CG2 3.56Å; Y214-V232 HydrophobicContact CE2-CG2 4.03Å; Y214-V232 HydrophobicContact CG-CG2 3.67Å; Y214-V242 HydrophobicContact CD2-CG1 3.53Å; Y214-V242 HydrophobicContact CE2-CG1 3.61Å; Y214-V242 HydrophobicContact CE2-CG2 4.46Å; Y214-R243 PolarHBondContact N-O 2.68Å; Y214-S244 CarbonylContact O-C 3.58Å; Y214-S244 VanDerWaalsContact O-CA 3.31Å; Y214-S244 WeakPolarHBondContact O-CA 3.42Å; Y214-V245 PolarHBondContact O-N 3.34Å
215L98.8Very high93.5Very high0 Ų039.5 Ų39.50%021%0.208CC..EExtended strand (participates in β ladder)trans-112.1115.5175.8-57.1-177.7000107.5V141 F142 S144 L213 V245 F247 Y263 L266V141-L215 HydrophobicContact CG1-CD1 3.85Å; V141-L215 HydrophobicContact CG1-CG 4.19Å; F142-L215 PolarHBondContact O-N 3.08Å; S144-L215 PolarHBondContact N-O 3.45Å; L213-L215 HydrophobicContact CD1-CD2 3.91Å; L213-L215 HydrophobicContact CD2-CD1 4.4Å; L213-L215 HydrophobicContact CD2-CD2 4.01Å; L213-L215 HydrophobicContact CD2-CG 4.28Å; L213-L215 HydrophobicContact CG-CD2 3.87Å; L213-L215 HydrophobicContact CG-CG 4.11Å; L215-V245 HydrophobicContact CD2-CB 4.05Å; L215-V245 HydrophobicContact CD2-CG2 4.34Å; L215-F247 HydrophobicContact CB-CE2 4.03Å; L215-F247 HydrophobicContact CD2-CE2 4.04Å; L215-Y263 HydrophobicContact CD1-CD2 3.94Å; L215-Y263 HydrophobicContact CD1-CE2 3.43Å; L215-Y263 VanDerWaalsContact CD1-CE2 3.43Å; L215-L266 HydrophobicContact CD2-CB 4.49Å; L215-L266 HydrophobicContact CD2-CD1 3.99Å
216Y98.5Very high94.1Very high18 Ų1843 Ų437%0.07121%0.211CC..EExtended strand (participates in β ladder)trans-148.6176.4-175.266.9-76.4000111.3A225 V228 E229 V245 D246 F247Y216-A225 HydrophobicContact CD2-CB 3.69Å; Y216-A225 HydrophobicContact CE2-CB 3.83Å; Y216-V228 HydrophobicContact CD1-CB 4.39Å; Y216-V228 HydrophobicContact CD1-CG1 3.65Å; Y216-V228 HydrophobicContact CD2-CB 4.27Å; Y216-V228 HydrophobicContact CD2-CG1 4.4Å; Y216-V228 HydrophobicContact CE1-CG1 4.21Å; Y216-V228 HydrophobicContact CG-CB 4.05Å; Y216-V228 HydrophobicContact CG-CG1 3.77Å; Y216-V228 HydrophobicContact CG-CG2 4.41Å; Y216-E229 HydrophobicContact CE2-CG 3.95Å; Y216-E229 WeakPolarHBondContact OH-CG 3.48Å; Y216-V245 VanDerWaalsContact CD1-O 3.29Å; Y216-V245 WeakPolarHBondContact CD1-O 3.44Å; Y216-V245 PolarHBondContact N-O 2.86Å; Y216-D246 HydrophobicContact CD2-CB 4.35Å; Y216-D246 HydrophobicContact CE1-CB 4.3Å; Y216-D246 HydrophobicContact CE2-CB 3.77Å; Y216-D246 CarbonylContact O-C 3.57Å; Y216-D246 WeakPolarHBondContact O-CA 3.27Å; Y216-F247 WeakPolarHBondContact O-CD2 3.32Å; Y216-F247 PolarHBondContact O-N 3.25Å
217S98.3Very high94.8Very high0 Ų043.7 Ų43.70%022%0.215CC..  trans-144.8136178.6177.70000110.9A219 D220 D246 S249 S250S217-A219 PolarHBondContact O-N 3.07Å; S217-A219 PolarHBondContact OG-N 2.76Å; S217-D220 WeakPolarHBondContact O-CB 3.28Å; S217-D220 PolarHBondContact O-N 3.24Å; S217-D246 VanDerWaalsContact CA-OD1 3.27Å; S217-D246 WeakPolarHBondContact CA-OD1 3.26Å; S217-S249 PolarHBondContact OG-N 3.46Å; S217-S250 WeakPolarHBondContact CB-O 3.47Å; S217-S250 WeakPolarHBondContact CB-OG 3.28Å; S217-S250 PolarHBondContact OG-N 2.71Å; S217-S250 PolarHBondContact OG-O 3.08Å; S217-S250 PolarHBondContact OG-OG 3.08Å
218R97.2Very high95.4Very high161 Ų16141.9 Ų41.961%0.60820%0.196SC*.THydrogen-bonded Turntrans-61.9-18169.3-77.6179.6-73.7-172.5-13.9114.1D220 A225 D246R218-D220 VanDerWaalsContact C-N 3.34Å; R218-A225 HydrophobicContact CB-CB 4.34Å; R218-A225 HydrophobicContact CG-CB 3.64Å; R218-D246 IonicContact CZ-OD2 3.15Å; R218-D246 PolarHBondContact N-OD1 2.91Å; R218-D246 IonicContact NE-OD2 2.62Å; R218-D246 PolarHBondContact NE-OD2 3.32Å; R218-D246 IonicContact NH2-OD2 3.68Å; R218-D246 PolarHBondContact NH2-OD2 3Å
219A96.6Very high95.8Very high44 Ų4445 Ų4536%0.36421%0.21SC..THydrogen-bonded Turntrans-88.64.4172.700000114.1S217 E221 V248S217-A219 PolarHBondContact O-N 3.07Å; S217-A219 PolarHBondContact OG-N 2.76Å; A219-E221 PolarHBondContact O-N 2.8Å; A219-V248 WeakPolarHBondContact CB-O 3.28Å; A219-V248 PolarHBondContact N-O 2.88Å
220D95.7Very high96Very high13 Ų1342.7 Ų42.77%0.0720%0.196CC..  trans-72114.4174.9-170.1-27.3000110.8S217 R218 V222 V223 H252S217-D220 WeakPolarHBondContact O-CB 3.28Å; S217-D220 PolarHBondContact O-N 3.24Å; R218-D220 VanDerWaalsContact C-N 3.34Å; D220-V222 WeakPolarHBondContact OD1-CA 3.13Å; D220-V222 PolarHBondContact OD1-N 3.46Å; D220-V223 VanDerWaalsContact CB-O 3.29Å; D220-V223 WeakPolarHBondContact CB-O 3.45Å; D220-V223 VanDerWaalsContact CG-O 3.27Å; D220-V223 PolarHBondContact OD1-N 3.15Å; D220-H252 VanDerWaalsContact CG-ND1 3.28Å; D220-H252 WeakPolarHBondContact OD1-CB 3.32Å; D220-H252 IonicContact OD1-CG 3.99Å; D220-H252 IonicContact OD1-ND1 3.99Å; D220-H252 PolarHBondContact OD1-ND1 3.27Å; D220-H252 VanDerWaalsContact OD1-ND1 3.09Å; D220-H252 WeakPolarHBondContact OD2-CA 3.24Å; D220-H252 IonicContact OD2-CE1 3.76Å; D220-H252 IonicContact OD2-CG 3.52Å; D220-H252 IonicContact OD2-ND1 3.74Å; D220-H252 PolarHBondContact OD2-ND1 3.49Å
221E92.1Very high95.9Very high135 Ų13540.3 Ų40.363%0.63119%0.187SC*.SBendtrans-85.9-7.8-179.9-63.3-169.4166.800113.8R156 A219R156-E221 WeakPolarHBondContact CD-O 3.17Å; R156-E221 PolarHBondContact NH1-O 3.05Å; A219-E221 PolarHBondContact O-N 2.8Å
222V89.4Confident95.9Very high16 Ų1639.7 Ų39.710%0.09718%0.183CC..SBendtrans-99.2-48.2-178.4178.90000110.3R156 A157 I160 D220 H252R156-V222 HydrophobicContact CB-CG2 4.47Å; A157-V222 HydrophobicContact CB-CG1 3.91Å; I160-V222 HydrophobicContact CD1-CG2 4.37Å; D220-V222 WeakPolarHBondContact OD1-CA 3.13Å; D220-V222 PolarHBondContact OD1-N 3.46Å; V222-H252 HydrophobicContact CB-CB 4.18Å; V222-H252 HydrophobicContact CG2-CB 4Å
223V91Very high95.8Very high3 Ų345.8 Ų45.82%0.01821%0.211CC..SBendtrans-116.4122.5176.3170.20000109.1S144 D220 A225 V228S144-V223 WeakPolarHBondContact O-CG2 3.36Å; D220-V223 VanDerWaalsContact CB-O 3.29Å; D220-V223 WeakPolarHBondContact CB-O 3.45Å; D220-V223 VanDerWaalsContact CG-O 3.27Å; D220-V223 PolarHBondContact OD1-N 3.15Å; V223-A225 PolarHBondContact O-N 3.27Å; V223-V228 HydrophobicContact CG1-CG2 3.83Å
224S93.7Very high95.7Very high42 Ų4249.4 Ų49.429%0.29423%0.228SC..  trans-68.4132.7178.8174.40000110.7R226 D227 V228S224-R226 PolarHBondContact O-N 3.23Å; S224-R226 PolarHBondContact OG-N 3.05Å; S224-D227 WeakPolarHBondContact O-CB 3.39Å; S224-D227 PolarHBondContact O-N 3.2Å; S224-V228 PolarHBondContact O-N 3.38Å
225A95.9Very high95.5Very high9 Ų949.5 Ų49.57%0.07423%0.229CC..Hα-helixtrans-53.6-34.8170.800000112.6Y216 R218 V223 D227 V228 E229Y216-A225 HydrophobicContact CD2-CB 3.69Å; Y216-A225 HydrophobicContact CE2-CB 3.83Å; R218-A225 HydrophobicContact CB-CB 4.34Å; R218-A225 HydrophobicContact CG-CB 3.64Å; V223-A225 PolarHBondContact O-N 3.27Å; A225-D227 VanDerWaalsContact C-N 3.28Å; A225-D227 PolarHBondContact O-N 2.95Å; A225-V228 PolarHBondContact O-N 3.28Å; A225-E229 WeakPolarHBondContact O-CB 3.35Å; A225-E229 VanDerWaalsContact O-CG 3.28Å; A225-E229 WeakPolarHBondContact O-CG 3.24Å; A225-E229 PolarHBondContact O-N 2.81Å
226R95.1Very high95.4Very high195 Ų19553.8 Ų53.874%0.73625%0.251SS*.Hα-helixtrans-62.9-34.3177.9-62.9-177.6178.7-178.3-1112.8S224 R230S224-R226 PolarHBondContact O-N 3.23Å; S224-R226 PolarHBondContact OG-N 3.05Å; R226-R230 WeakPolarHBondContact O-CB 3.43Å; R226-R230 PolarHBondContact O-N 3.25Å
227D93.5Very high95.3Very high22 Ų2256.6 Ų56.612%0.11828%0.278CS..Hα-helixtrans-69.6-43.7177.4-61.6-18.7000109.2D148 Y200 S224 A225 E229 R230 M231D148-D227 HydrophobicContact CB-CB 4.41Å; D148-D227 PolarHBondContact N-OD2 3.45Å; Y200-D227 HydrophobicContact CE2-CB 4.29Å; Y200-D227 PolarHBondContact OH-O 3.19Å; S224-D227 WeakPolarHBondContact O-CB 3.39Å; S224-D227 PolarHBondContact O-N 3.2Å; A225-D227 VanDerWaalsContact C-N 3.28Å; A225-D227 PolarHBondContact O-N 2.95Å; D227-E229 PolarHBondContact O-N 2.89Å; D227-R230 PolarHBondContact O-N 3.44Å; D227-R230 IonicContact OD1-NH2 3.57Å; D227-M231 PolarHBondContact O-N 3.04Å
228V96.6Very high95.1Very high1 Ų160.1 Ų60.11%0.00629%0.294CS..Hα-helixtrans-62.6-44.6176.5-177.50000111.3Y214 Y216 V223 S224 A225 R230 M231 V232Y214-V228 HydrophobicContact CD1-CG1 3.8Å; Y214-V228 HydrophobicContact CG-CG1 4.23Å; Y216-V228 HydrophobicContact CD1-CB 4.39Å; Y216-V228 HydrophobicContact CD1-CG1 3.65Å; Y216-V228 HydrophobicContact CD2-CB 4.27Å; Y216-V228 HydrophobicContact CD2-CG1 4.4Å; Y216-V228 HydrophobicContact CE1-CG1 4.21Å; Y216-V228 HydrophobicContact CG-CB 4.05Å; Y216-V228 HydrophobicContact CG-CG1 3.77Å; Y216-V228 HydrophobicContact CG-CG2 4.41Å; V223-V228 HydrophobicContact CG1-CG2 3.83Å; S224-V228 PolarHBondContact O-N 3.38Å; A225-V228 PolarHBondContact O-N 3.28Å; V228-R230 PolarHBondContact O-N 2.98Å; V228-M231 WeakPolarHBondContact O-CB 3.49Å; V228-M231 PolarHBondContact O-N 3.26Å; V228-V232 WeakPolarHBondContact O-CG2 3.21Å; V228-V232 PolarHBondContact O-N 2.94Å
229E97.3Very high95Very high68 Ų6861.2 Ų61.232%0.31831%0.306SS..Hα-helixtrans-59.4-44.9177.1-72.9165178.300111.7Y216 A225 D227 M231 V232 E233Y216-E229 HydrophobicContact CE2-CG 3.95Å; Y216-E229 WeakPolarHBondContact OH-CG 3.48Å; A225-E229 WeakPolarHBondContact O-CB 3.35Å; A225-E229 VanDerWaalsContact O-CG 3.28Å; A225-E229 WeakPolarHBondContact O-CG 3.24Å; A225-E229 PolarHBondContact O-N 2.81Å; D227-E229 PolarHBondContact O-N 2.89Å; E229-M231 VanDerWaalsContact C-N 3.35Å; E229-M231 PolarHBondContact O-N 3.45Å; E229-V232 WeakPolarHBondContact O-CB 3.43Å; E229-V232 PolarHBondContact O-N 3.46Å; E229-V232 VanDerWaalsContact O-N 3.15Å; E229-E233 WeakPolarHBondContact O-CG 3.16Å; E229-E233 PolarHBondContact O-N 2.84Å
230R95.9Very high95Very high89 Ų8959.3 Ų59.334%0.33629%0.29SS..Hα-helixtrans-62.2-40.5174.9179.8177.456.2175.50.2112.1D148 Y200 R226 D227 V228 V232 E233 E234D148-R230 VanDerWaalsContact CG-NH2 3.29Å; D148-R230 IonicContact OD2-CZ 3.69Å; D148-R230 IonicContact OD2-NH1 3.09Å; D148-R230 IonicContact OD2-NH2 3.89Å; D148-R230 PolarHBondContact OD2-NH2 3.08Å; Y200-R230 PolarHBondContact OH-NE 3.37Å; R226-R230 WeakPolarHBondContact O-CB 3.43Å; R226-R230 PolarHBondContact O-N 3.25Å; D227-R230 PolarHBondContact O-N 3.44Å; D227-R230 IonicContact OD1-NH2 3.57Å; V228-R230 PolarHBondContact O-N 2.98Å; R230-V232 VanDerWaalsContact C-N 3.34Å; R230-E233 PolarHBondContact O-N 3.02Å; R230-E234 VanDerWaalsContact O-CG 3.24Å; R230-E234 WeakPolarHBondContact O-CG 3.34Å; R230-E234 PolarHBondContact O-N 3.22Å; R230-E234 VanDerWaalsContact O-N 3.07Å
231M95.4Very high95Very high0 Ų064.5 Ų64.50%032%0.317CS..Hα-helixtrans-60.4-45.7173.2179.263.961.300110.8P146 Y200 L203 Q204 Y214 D227 V228 E229 E233 E234 R235P146-M231 HydrophobicContact CG-CB 4.01Å; P146-M231 HydrophobicContact CG-CE 3.68Å; P146-M231 HydrophobicContact CG-CG 3.62Å; P146-M231 HydrophobicContact CG-SD 4.31Å; Y200-M231 HydrophobicContact CD1-CE 4.04Å; Y200-M231 HydrophobicContact CD2-CE 3.85Å; Y200-M231 HydrophobicContact CE1-CE 3.9Å; Y200-M231 HydrophobicContact CE2-CB 4.38Å; Y200-M231 HydrophobicContact CE2-CE 3.72Å; Y200-M231 HydrophobicContact CG-CE 3.99Å; Y200-M231 WeakPolarHBondContact O-CE 3.3Å; Y200-M231 PolarHBondContact OH-N 3.48Å; L203-M231 HydrophobicContact CB-CE 3.82Å; L203-M231 HydrophobicContact CB-SD 4.28Å; Q204-M231 HydrophobicContact CG-CE 3.56Å; Q204-M231 HydrophobicContact CG-SD 3.76Å; Y214-M231 HydrophobicContact CE1-CG 3.81Å; Y214-M231 WeakPolarHBondContact OH-CG 3.48Å; D227-M231 PolarHBondContact O-N 3.04Å; V228-M231 WeakPolarHBondContact O-CB 3.49Å; V228-M231 PolarHBondContact O-N 3.26Å; E229-M231 VanDerWaalsContact C-N 3.35Å; E229-M231 PolarHBondContact O-N 3.45Å; M231-E233 VanDerWaalsContact C-N 3.34Å; M231-E233 PolarHBondContact O-N 3.17Å; M231-E234 PolarHBondContact O-N 3.3Å; M231-R235 HydrophobicContact CG-CG 4.16Å; M231-R235 VanDerWaalsContact O-CG 3.23Å; M231-R235 WeakPolarHBondContact O-CG 3.45Å; M231-R235 PolarHBondContact O-N 3.07Å; M231-R235 HydrophobicContact SD-CG 3.83Å
232V97Very high95.3Very high13 Ų1359.1 Ų59.18%0.07929%0.293CS..Hα-helixtrans-57.1-46.9177.5166.50000111.3Y214 V228 E229 R230 E234 R235 L236 V242Y214-V232 HydrophobicContact CD1-CG2 4.25Å; Y214-V232 HydrophobicContact CD2-CG2 3.56Å; Y214-V232 HydrophobicContact CE2-CG2 4.03Å; Y214-V232 HydrophobicContact CG-CG2 3.67Å; V228-V232 WeakPolarHBondContact O-CG2 3.21Å; V228-V232 PolarHBondContact O-N 2.94Å; E229-V232 WeakPolarHBondContact O-CB 3.43Å; E229-V232 PolarHBondContact O-N 3.46Å; E229-V232 VanDerWaalsContact O-N 3.15Å; R230-V232 VanDerWaalsContact C-N 3.34Å; V232-E234 PolarHBondContact O-N 2.88Å; V232-R235 PolarHBondContact O-N 2.62Å; V232-L236 HydrophobicContact CG1-CD1 3.86Å; V232-L236 HydrophobicContact CG1-CG 4.45Å; V232-L236 WeakPolarHBondContact O-CB 3.15Å; V232-L236 VanDerWaalsContact O-CG 3.28Å; V232-L236 WeakPolarHBondContact O-CG 3.36Å; V232-L236 PolarHBondContact O-N 3.24Å; V232-V242 HydrophobicContact CB-CG1 4.28Å; V232-V242 HydrophobicContact CG1-CG1 3.78Å; V232-V242 HydrophobicContact CG2-CG1 4Å
233E96.8Very high95.7Very high131 Ų13163.3 Ų63.361%0.61231%0.307SS*.Hα-helixtrans-58.4-46177.4-72173.7177.600111.9E229 R230 M231 L236 A237E229-E233 WeakPolarHBondContact O-CG 3.16Å; E229-E233 PolarHBondContact O-N 2.84Å; R230-E233 PolarHBondContact O-N 3.02Å; M231-E233 VanDerWaalsContact C-N 3.34Å; M231-E233 PolarHBondContact O-N 3.17Å; E233-L236 PolarHBondContact O-N 3.18Å; E233-A237 PolarHBondContact O-N 2.87Å
234E95.3Very high96.1Very high77 Ų7765.6 Ų65.636%0.3632%0.324SS..Hα-helixtrans-65-42.7179.4-70.7-73.2170.600112.1Q204 R230 M231 V232 A237 H238Q204-E234 HydrophobicContact CG-CB 4.21Å; Q204-E234 HydrophobicContact CG-CG 4.46Å; R230-E234 VanDerWaalsContact O-CG 3.24Å; R230-E234 WeakPolarHBondContact O-CG 3.34Å; R230-E234 PolarHBondContact O-N 3.22Å; R230-E234 VanDerWaalsContact O-N 3.07Å; M231-E234 PolarHBondContact O-N 3.3Å; V232-E234 PolarHBondContact O-N 2.88Å; E234-A237 WeakPolarHBondContact O-CB 3.3Å; E234-A237 PolarHBondContact O-N 3.35Å; E234-H238 PolarHBondContact O-N 3.24Å; E234-H238 VanDerWaalsContact O-N 3.09Å; E234-H238 PolarHBondContact O-ND1 3.26Å
235R96Very high96.3Very high3 Ų364.3 Ų64.31%0.01131%0.314CS..Hα-helixtrans-67.9-37.6178.3-62.3-61.7-68.41511.4111.7Q204 S206 S208 E212 M231 V232 A237 H238 Q239 V240 V242Q204-R235 PolarHBondContact O-NH1 2.91Å; S206-R235 PolarHBondContact OG-NH1 3.34Å; S208-R235 PolarHBondContact O-NH2 2.77Å; S208-R235 PolarHBondContact OG-NH2 2.99Å; E212-R235 IonicContact OE1-CZ 2.64Å; E212-R235 IonicContact OE1-NE 3.64Å; E212-R235 PolarHBondContact OE1-NE 3.4Å; E212-R235 VanDerWaalsContact OE1-NE 3.15Å; E212-R235 IonicContact OE1-NH2 3.54Å; E212-R235 PolarHBondContact OE1-NH2 3.2Å; E212-R235 WeakPolarHBondContact OE2-CG 3.28Å; E212-R235 IonicContact OE2-CZ 3.74Å; E212-R235 IonicContact OE2-NE 3.51Å; E212-R235 PolarHBondContact OE2-NE 3.15Å; E212-R235 VanDerWaalsContact OE2-NE 3.09Å; E212-R235 IonicContact OE2-NH2 2.7Å; M231-R235 HydrophobicContact CG-CG 4.16Å; M231-R235 VanDerWaalsContact O-CG 3.23Å; M231-R235 WeakPolarHBondContact O-CG 3.45Å; M231-R235 PolarHBondContact O-N 3.07Å; M231-R235 HydrophobicContact SD-CG 3.83Å; V232-R235 PolarHBondContact O-N 2.62Å; R235-A237 VanDerWaalsContact C-N 3.34Å; R235-H238 CarbonylContact O-C 3.58Å; R235-H238 PolarHBondContact O-N 3.07Å; R235-Q239 PolarHBondContact O-N 2.76Å; R235-V240 HydrophobicContact CB-CB 4.32Å; R235-V240 VanDerWaalsContact O-CB 3.3Å; R235-V240 WeakPolarHBondContact O-CB 2.95Å; R235-V240 WeakPolarHBondContact O-CG2 3.07Å; R235-V240 PolarHBondContact O-N 2.97Å; R235-V240 VanDerWaalsContact O-N 3.07Å; R235-V242 HydrophobicContact CB-CG2 3.71Å
236L96.3Very high96.4Very high90 Ų9065.5 Ų65.547%0.47132%0.319SS..Hα-helixtrans-61.9-40.7170.9-74.4169.4000111.9V232 E233 H238 Q239 V242V232-L236 HydrophobicContact CG1-CD1 3.86Å; V232-L236 HydrophobicContact CG1-CG 4.45Å; V232-L236 WeakPolarHBondContact O-CB 3.15Å; V232-L236 VanDerWaalsContact O-CG 3.28Å; V232-L236 WeakPolarHBondContact O-CG 3.36Å; V232-L236 PolarHBondContact O-N 3.24Å; E233-L236 PolarHBondContact O-N 3.18Å; L236-H238 PolarHBondContact O-N 3.48Å; L236-Q239 WeakPolarHBondContact O-CA 3.46Å; L236-Q239 PolarHBondContact O-N 3.01Å; L236-V242 HydrophobicContact CD2-CB 3.87Å; L236-V242 HydrophobicContact CD2-CG2 4.25Å; L236-V242 HydrophobicContact CG-CB 4.02Å; L236-V242 HydrophobicContact CG-CG2 4.21Å
237A95.7Very high96.6Very high76 Ų7656.6 Ų56.663%0.62829%0.286SS*.Hα-helixtrans-62.3-31.3175.500000112.4E233 E234 R235 Q239E233-A237 PolarHBondContact O-N 2.87Å; E234-A237 WeakPolarHBondContact O-CB 3.3Å; E234-A237 PolarHBondContact O-N 3.35Å; R235-A237 VanDerWaalsContact C-N 3.34Å; A237-Q239 PolarHBondContact O-N 3.04Å
238H94.8Very high96.8Very high75 Ų7559.2 Ų59.235%0.34730%0.302SS..THydrogen-bonded Turntrans-8315.3171.9-67.291.1000114E234 R235 L236 V240E234-H238 PolarHBondContact O-N 3.24Å; E234-H238 VanDerWaalsContact O-N 3.09Å; E234-H238 PolarHBondContact O-ND1 3.26Å; R235-H238 CarbonylContact O-C 3.58Å; R235-H238 PolarHBondContact O-N 3.07Å; L236-H238 PolarHBondContact O-N 3.48Å; H238-V240 HydrophobicContact CB-CG2 4.31Å; H238-V240 PolarHBondContact O-N 2.7Å
239Q95.2Very high96.8Very high184 Ų18462.9 Ų62.986%0.8633%0.327SS*.THydrogen-bonded Turntrans61.626.3176.8-53-178.9-41.200114.4R235 L236 A237R235-Q239 PolarHBondContact O-N 2.76Å; L236-Q239 WeakPolarHBondContact O-CA 3.46Å; L236-Q239 PolarHBondContact O-N 3.01Å; A237-Q239 PolarHBondContact O-N 3.04Å
240V96.3Very high96.8Very high4 Ų459.6 Ų59.62%0.02431%0.312CS..  trans-82.6138.4175-177.10000108.8W210 E212 R235 H238 V242W210-V240 WeakPolarHBondContact O-CG1 3.42Å; E212-V240 HydrophobicContact CG-CG1 4.11Å; R235-V240 HydrophobicContact CB-CB 4.32Å; R235-V240 VanDerWaalsContact O-CB 3.3Å; R235-V240 WeakPolarHBondContact O-CB 2.95Å; R235-V240 WeakPolarHBondContact O-CG2 3.07Å; R235-V240 PolarHBondContact O-N 2.97Å; R235-V240 VanDerWaalsContact O-N 3.07Å; H238-V240 HydrophobicContact CB-CG2 4.31Å; H238-V240 PolarHBondContact O-N 2.7Å; V240-V242 HydrophobicContact CB-CG2 4.21Å; V240-V242 HydrophobicContact CG1-CG2 4.14Å; V240-V242 PolarHBondContact O-N 3.21Å
241L96.9Very high96.8Very high121 Ų12157.5 Ų57.563%0.63431%0.314SS*.  trans-72.9102.7174.8-179.564.8000109.5P211 E212P211-L241 CarbonylContact C-O 3.54Å; P211-L241 VanDerWaalsContact CA-O 3.27Å; P211-L241 WeakPolarHBondContact CA-O 3.45Å; P211-L241 HydrophobicContact CB-CB 4.29Å; P211-L241 HydrophobicContact CB-CD2 4.16Å; P211-L241 HydrophobicContact CB-CG 4.42Å; P211-L241 HydrophobicContact CG-CB 4.36Å; P211-L241 HydrophobicContact CG-CD2 4.02Å; E212-L241 PolarHBondContact N-O 3.27Å
242V97.4Very high96.8Very high22 Ų2259.2 Ų59.213%0.13332%0.322CS..EExtended strand (participates in β ladder)trans-110.7134.4-178.1-176.60000111.3E212 Y214 V232 R235 L236 V240E212-V242 HydrophobicContact CB-CG2 4.43Å; E212-V242 WeakPolarHBondContact O-CA 3.41Å; Y214-V242 HydrophobicContact CD2-CG1 3.53Å; Y214-V242 HydrophobicContact CE2-CG1 3.61Å; Y214-V242 HydrophobicContact CE2-CG2 4.46Å; V232-V242 HydrophobicContact CB-CG1 4.28Å; V232-V242 HydrophobicContact CG1-CG1 3.78Å; V232-V242 HydrophobicContact CG2-CG1 4Å; R235-V242 HydrophobicContact CB-CG2 3.71Å; L236-V242 HydrophobicContact CD2-CB 3.87Å; L236-V242 HydrophobicContact CD2-CG2 4.25Å; L236-V242 HydrophobicContact CG-CB 4.02Å; L236-V242 HydrophobicContact CG-CG2 4.21Å; V240-V242 HydrophobicContact CB-CG2 4.21Å; V240-V242 HydrophobicContact CG1-CG2 4.14Å; V240-V242 PolarHBondContact O-N 3.21Å
243R98.1Very high96.7Very high105 Ų10559.1 Ų59.140%0.39632%0.321SS..EExtended strand (participates in β ladder)trans-117138.9162.7-177.4177.2179.3-172.84.3108.6E212 L213 Y214E212-R243 PolarHBondContact O-N 3.14Å; L213-R243 CarbonylContact C-O 3.59Å; L213-R243 VanDerWaalsContact CA-O 3.28Å; L213-R243 WeakPolarHBondContact CA-O 3.28Å; L213-R243 HydrophobicContact CD1-CB 3.95Å; L213-R243 HydrophobicContact CD1-CG 3.84Å; Y214-R243 PolarHBondContact N-O 2.68Å
244S98.3Very high96.7Very high51 Ų5153.8 Ų53.836%0.35730%0.298SS..EExtended strand (participates in β ladder)trans-132.7146.7176.972.90000111.1Y214Y214-S244 CarbonylContact O-C 3.58Å; Y214-S244 VanDerWaalsContact O-CA 3.31Å; Y214-S244 WeakPolarHBondContact O-CA 3.42Å
245V98.6Very high96.9Very high14 Ų1450.1 Ų50.19%0.08528%0.281CS..EExtended strand (participates in β ladder)trans-138.6119.5179.6-179.80000109.3Y214 L215 Y216 F247 Y262 L266Y214-V245 PolarHBondContact O-N 3.34Å; L215-V245 HydrophobicContact CD2-CB 4.05Å; L215-V245 HydrophobicContact CD2-CG2 4.34Å; Y216-V245 VanDerWaalsContact CD1-O 3.29Å; Y216-V245 WeakPolarHBondContact CD1-O 3.44Å; Y216-V245 PolarHBondContact N-O 2.86Å; V245-F247 HydrophobicContact CG1-CD2 4.32Å; V245-F247 HydrophobicContact CG1-CE2 4.07Å; V245-F247 HydrophobicContact CG1-CZ 4.35Å; V245-Y262 HydrophobicContact CG1-CE1 3.93Å; V245-L266 HydrophobicContact CB-CD1 4.24Å; V245-L266 HydrophobicContact CG1-CD1 3.97Å; V245-L266 HydrophobicContact CG2-CD1 3.95Å; V245-L266 HydrophobicContact CG2-CD2 3.98Å
246D98.4Very high96.9Very high34 Ų3451 Ų5118%0.18229%0.286CS..EExtended strand (participates in β ladder)trans-92.6119.3169171.434.4000110.4Y216 S217 R218 V248Y216-D246 HydrophobicContact CD2-CB 4.35Å; Y216-D246 HydrophobicContact CE1-CB 4.3Å; Y216-D246 HydrophobicContact CE2-CB 3.77Å; Y216-D246 CarbonylContact O-C 3.57Å; Y216-D246 WeakPolarHBondContact O-CA 3.27Å; S217-D246 VanDerWaalsContact CA-OD1 3.27Å; S217-D246 WeakPolarHBondContact CA-OD1 3.26Å; R218-D246 IonicContact CZ-OD2 3.15Å; R218-D246 PolarHBondContact N-OD1 2.91Å; R218-D246 IonicContact NE-OD2 2.62Å; R218-D246 PolarHBondContact NE-OD2 3.32Å; R218-D246 IonicContact NH2-OD2 3.68Å; R218-D246 PolarHBondContact NH2-OD2 3Å; D246-V248 VanDerWaalsContact C-N 3.27Å; D246-V248 WeakPolarHBondContact OD1-CA 3.16Å; D246-V248 PolarHBondContact OD1-N 3.46Å
247F98.3Very high97Very high9 Ų954.5 Ų54.54%0.03929%0.293CS..  trans-82.4-1.8176.9-74.8-88.8000113.6L215 Y216 V245 S249 S250 H255 Y259 Y262 Y263 L266L215-F247 HydrophobicContact CB-CE2 4.03Å; L215-F247 HydrophobicContact CD2-CE2 4.04Å; Y216-F247 WeakPolarHBondContact O-CD2 3.32Å; Y216-F247 PolarHBondContact O-N 3.25Å; V245-F247 HydrophobicContact CG1-CD2 4.32Å; V245-F247 HydrophobicContact CG1-CE2 4.07Å; V245-F247 HydrophobicContact CG1-CZ 4.35Å; F247-S249 PolarHBondContact O-N 3.04Å; F247-S250 WeakPolarHBondContact CB-OG 3.46Å; F247-H255 HydrophobicContact CD1-CB 4.47Å; F247-H255 HydrophobicContact CD2-CB 4.01Å; F247-H255 AromaticContact CD2-CG 3.72Å; F247-H255 AromaticContact CD2-ND1 3.76Å; F247-H255 HydrophobicContact CE1-CB 4.37Å; F247-H255 HydrophobicContact CE2-CB 3.93Å; F247-H255 AromaticContact CE2-CG 3.99Å; F247-H255 HydrophobicContact CG-CB 4.28Å; F247-H255 AromaticContact CG-ND1 3.96Å; F247-H255 HydrophobicContact CZ-CB 4.1Å; F247-Y259 HydrophobicContact CB-CD2 4.23Å; F247-Y259 HydrophobicContact CB-CE2 4.01Å; F247-Y259 HydrophobicContact CD1-CD1 4.49Å; F247-Y259 AromaticContact CD1-CD2 3.32Å; F247-Y259 HydrophobicContact CD1-CD2 3.32Å; F247-Y259 AromaticContact CD1-CE2 3.91Å; F247-Y259 HydrophobicContact CD1-CE2 3.91Å; F247-Y259 AromaticContact CD1-CG 3.67Å; F247-Y259 HydrophobicContact CD1-CG 3.67Å; F247-Y259 HydrophobicContact CE1-CD2 4.03Å; F247-Y259 HydrophobicContact CE1-CG 4.03Å; F247-Y259 HydrophobicContact CG-CD2 4.14Å; F247-Y259 HydrophobicContact CG-CE2 4.42Å; F247-Y259 PolarHBondContact O-OH 2.97Å; F247-Y262 HydrophobicContact CD1-CD1 4.35Å; F247-Y262 AromaticContact CE1-CD1 3.7Å; F247-Y262 HydrophobicContact CE1-CD1 3.7Å; F247-Y262 HydrophobicContact CE1-CE1 4.15Å; F247-Y262 HydrophobicContact CZ-CD1 4.38Å; F247-Y263 HydrophobicContact CE2-CD2 4.38Å; F247-Y263 AromaticContact CZ-CD2 3.9Å; F247-Y263 HydrophobicContact CZ-CD2 3.9Å; F247-L266 HydrophobicContact CE2-CD1 4.5Å; F247-L266 HydrophobicContact CZ-CD1 3.83Å
248V97.4Very high97.1Very high77 Ų7753.9 Ų53.947%0.46728%0.279SS..SBendtrans66.6-51173.4-171.20000115.1A219 D246A219-V248 WeakPolarHBondContact CB-O 3.28Å; A219-V248 PolarHBondContact N-O 2.88Å; D246-V248 VanDerWaalsContact C-N 3.27Å; D246-V248 WeakPolarHBondContact OD1-CA 3.16Å; D246-V248 PolarHBondContact OD1-N 3.46Å
249S96.9Very high97.2Very high77 Ų7753.9 Ų53.954%0.53828%0.277SS..SBendtrans-126.8-10.1-167.947.40000116.1S217 F247 Y259S217-S249 PolarHBondContact OG-N 3.46Å; F247-S249 PolarHBondContact O-N 3.04Å; S249-Y259 PolarHBondContact OG-OH 3.29Å
250S97.2Very high97.3Very high0 Ų048.2 Ų48.20%026%0.256CS..PPolyproline II helixtrans-70.1145176.6490000111.8S217 F247 H255 D258S217-S250 WeakPolarHBondContact CB-O 3.47Å; S217-S250 WeakPolarHBondContact CB-OG 3.28Å; S217-S250 PolarHBondContact OG-N 2.71Å; S217-S250 PolarHBondContact OG-O 3.08Å; S217-S250 PolarHBondContact OG-OG 3.08Å; F247-S250 WeakPolarHBondContact CB-OG 3.46Å; S250-H255 PolarHBondContact OG-CE1 3.07Å; S250-H255 PolarHBondContact OG-ND1 3.48Å; S250-D258 VanDerWaalsContact CA-OD2 3.3Å; S250-D258 WeakPolarHBondContact CA-OD2 3.31Å; S250-D258 VanDerWaalsContact CB-OD2 3.26Å; S250-D258 WeakPolarHBondContact CB-OD2 3.47Å
251A96.1Very high97.4Very high44 Ų4453.8 Ų53.836%0.36429%0.29SS..PPolyproline II helixtrans-72.1169.1172.900000112.2V253 S254A251-V253 PolarHBondContact O-N 2.92Å; A251-S254 VanDerWaalsContact O-CB 3.31Å; A251-S254 WeakPolarHBondContact O-CB 3.47Å; A251-S254 PolarHBondContact O-N 3.41Å
252H96.1Very high97.5Very high37 Ų3753.3 Ų53.317%0.17128%0.28CS..THydrogen-bonded Turntrans-47.7126.3175.9-167.463.8000112.2S112 S144 D220 V222 S254S112-H252 WeakPolarHBondContact CB-NE2 3.43Å; S112-H252 PolarHBondContact OG-CE1 3.01Å; S112-H252 VanDerWaalsContact OG-CE1 3.23Å; S112-H252 PolarHBondContact OG-NE2 3.39Å; S144-H252 WeakPolarHBondContact CB-ND1 3.42Å; S144-H252 PolarHBondContact O-CE1 3.46Å; S144-H252 VanDerWaalsContact O-CE1 3.31Å; D220-H252 VanDerWaalsContact CG-ND1 3.28Å; D220-H252 WeakPolarHBondContact OD1-CB 3.32Å; D220-H252 IonicContact OD1-CG 3.99Å; D220-H252 IonicContact OD1-ND1 3.99Å; D220-H252 PolarHBondContact OD1-ND1 3.27Å; D220-H252 VanDerWaalsContact OD1-ND1 3.09Å; D220-H252 WeakPolarHBondContact OD2-CA 3.24Å; D220-H252 IonicContact OD2-CE1 3.76Å; D220-H252 IonicContact OD2-CG 3.52Å; D220-H252 IonicContact OD2-ND1 3.74Å; D220-H252 PolarHBondContact OD2-ND1 3.49Å; V222-H252 HydrophobicContact CB-CB 4.18Å; V222-H252 HydrophobicContact CG2-CB 4Å; H252-S254 PolarHBondContact O-N 3.01Å; H252-S254 PolarHBondContact O-OG 3.27Å; H252-S254 VanDerWaalsContact O-OG 3.07Å
253V95.6Very high97.5Very high10 Ų1052.3 Ų52.36%0.06127%0.274CS..THydrogen-bonded Turntrans53.526.1178.2-168.80000113.2W42 Y53 F111 S144 A251W42-V253 HydrophobicContact CD2-CG1 3.95Å; W42-V253 HydrophobicContact CD2-CG2 4.49Å; W42-V253 HydrophobicContact CE3-CG1 3.55Å; W42-V253 HydrophobicContact CH2-CG1 3.75Å; W42-V253 HydrophobicContact CZ2-CG1 4.18Å; W42-V253 HydrophobicContact CZ3-CG1 3.44Å; W42-V253 VanDerWaalsContact CZ3-CG1 3.44Å; Y53-V253 PolarHBondContact OH-O 3.34Å; F111-V253 HydrophobicContact CD1-CG1 3.81Å; S144-V253 VanDerWaalsContact OG-CA 3.29Å; S144-V253 WeakPolarHBondContact OG-CA 3.18Å; S144-V253 PolarHBondContact OG-N 3.4Å; A251-V253 PolarHBondContact O-N 2.92Å
254S96.3Very high97.6Very high19 Ų1948.9 Ų48.913%0.13327%0.265CS..  trans-113.16.9-177.9-59.40000113A251 H252 L256 R257 D258A251-S254 VanDerWaalsContact O-CB 3.31Å; A251-S254 WeakPolarHBondContact O-CB 3.47Å; A251-S254 PolarHBondContact O-N 3.41Å; H252-S254 PolarHBondContact O-N 3.01Å; H252-S254 PolarHBondContact O-OG 3.27Å; H252-S254 VanDerWaalsContact O-OG 3.07Å; S254-L256 VanDerWaalsContact C-N 3.34Å; S254-L256 PolarHBondContact O-N 3.37Å; S254-R257 WeakPolarHBondContact O-CA 3.27Å; S254-R257 WeakPolarHBondContact O-CB 3.37Å; S254-R257 PolarHBondContact O-N 2.91Å; S254-D258 PolarHBondContact O-N 2.94Å
255H98Very high97.6Very high0 Ų048.5 Ų48.50%026%0.262CS..Hα-helixtrans-55.9-44.3-178.4-50.8-40.8000112.6D143 S144 F247 S250 R257 D258 Y259 Y263D143-H255 IonicContact OD1-CD2 3.49Å; D143-H255 PolarHBondContact OD1-CD2 2.93Å; D143-H255 VanDerWaalsContact OD1-CD2 3.22Å; D143-H255 IonicContact OD1-NE2 3.09Å; D143-H255 IonicContact OD2-CD2 3.2Å; S144-H255 PolarHBondContact OG-NE2 2.94Å; F247-H255 HydrophobicContact CD1-CB 4.47Å; F247-H255 HydrophobicContact CD2-CB 4.01Å; F247-H255 AromaticContact CD2-CG 3.72Å; F247-H255 AromaticContact CD2-ND1 3.76Å; F247-H255 HydrophobicContact CE1-CB 4.37Å; F247-H255 HydrophobicContact CE2-CB 3.93Å; F247-H255 AromaticContact CE2-CG 3.99Å; F247-H255 HydrophobicContact CG-CB 4.28Å; F247-H255 AromaticContact CG-ND1 3.96Å; F247-H255 HydrophobicContact CZ-CB 4.1Å; S250-H255 PolarHBondContact OG-CE1 3.07Å; S250-H255 PolarHBondContact OG-ND1 3.48Å; H255-R257 VanDerWaalsContact C-N 3.3Å; H255-R257 PolarHBondContact O-N 3.11Å; H255-D258 PolarHBondContact O-N 3.29Å; H255-Y259 WeakPolarHBondContact O-CA 3.46Å; H255-Y259 PolarHBondContact O-N 3.43Å; H255-Y263 HydrophobicContact CB-CD2 3.45Å; H255-Y263 VanDerWaalsContact CB-CD2 3.45Å; H255-Y263 HydrophobicContact CB-CE2 3.7Å
256L97.8Very high97.6Very high22 Ų2247.9 Ų47.912%0.11526%0.259CS..Hα-helixtrans-63.7-34.5175.617562000112.6K52 Y53 I56 S254 P260 Y263K52-L256 HydrophobicContact CB-CD2 4.09Å; Y53-L256 HydrophobicContact CD1-CB 4.26Å; Y53-L256 HydrophobicContact CD1-CD2 3.54Å; Y53-L256 HydrophobicContact CD2-CD2 4.22Å; Y53-L256 HydrophobicContact CE1-CB 3.47Å; Y53-L256 VanDerWaalsContact CE1-CB 3.47Å; Y53-L256 HydrophobicContact CE1-CD2 3.52Å; Y53-L256 HydrophobicContact CE1-CG 4.13Å; Y53-L256 HydrophobicContact CE2-CD2 4.23Å; Y53-L256 HydrophobicContact CG-CD2 3.9Å; I56-L256 HydrophobicContact CD1-CD1 4.05Å; I56-L256 HydrophobicContact CD1-CD2 4.23Å; S254-L256 VanDerWaalsContact C-N 3.34Å; S254-L256 PolarHBondContact O-N 3.37Å; L256-P260 WeakPolarHBondContact O-CA 3.38Å; L256-P260 WeakPolarHBondContact O-CB 3.23Å; L256-Y263 HydrophobicContact CB-CD1 3.81Å; L256-Y263 HydrophobicContact CB-CD2 4.42Å; L256-Y263 HydrophobicContact CB-CE1 3.97Å; L256-Y263 HydrophobicContact CB-CG 4.04Å; L256-Y263 HydrophobicContact CD1-CD1 3.7Å; L256-Y263 HydrophobicContact CD1-CE1 4.3Å; L256-Y263 HydrophobicContact CD1-CG 4.33Å; L256-Y263 HydrophobicContact CG-CD1 4.27Å
257R96.9Very high97.6Very high164 Ų16446.3 Ų46.362%0.61925%0.25SC*.Hα-helixtrans-69.5-45.8179.1-177.1-166.468.2-159.2-5.6110.6S254 H255S254-R257 WeakPolarHBondContact O-CA 3.27Å; S254-R257 WeakPolarHBondContact O-CB 3.37Å; S254-R257 PolarHBondContact O-N 2.91Å; H255-R257 VanDerWaalsContact C-N 3.3Å; H255-R257 PolarHBondContact O-N 3.11Å
258D97.5Very high97.5Very high62 Ų6246.2 Ų46.233%0.33225%0.25SS..Hα-helixtrans-84.3-30.7-171.2-60.1-16.4000111.6S250 S254 H255S250-D258 VanDerWaalsContact CA-OD2 3.3Å; S250-D258 WeakPolarHBondContact CA-OD2 3.31Å; S250-D258 VanDerWaalsContact CB-OD2 3.26Å; S250-D258 WeakPolarHBondContact CB-OD2 3.47Å; S254-D258 PolarHBondContact O-N 2.94Å; H255-D258 PolarHBondContact O-N 3.29Å
259Y97.9Very high97.6Very high76 Ų7645.8 Ų45.830%0.29825%0.245SC..SBendtrans-132.758.4-176.8-56.5-83.9000112.7F247 S249 H255 T261 Y262 Y263F247-Y259 HydrophobicContact CB-CD2 4.23Å; F247-Y259 HydrophobicContact CB-CE2 4.01Å; F247-Y259 HydrophobicContact CD1-CD1 4.49Å; F247-Y259 AromaticContact CD1-CD2 3.32Å; F247-Y259 HydrophobicContact CD1-CD2 3.32Å; F247-Y259 AromaticContact CD1-CE2 3.91Å; F247-Y259 HydrophobicContact CD1-CE2 3.91Å; F247-Y259 AromaticContact CD1-CG 3.67Å; F247-Y259 HydrophobicContact CD1-CG 3.67Å; F247-Y259 HydrophobicContact CE1-CD2 4.03Å; F247-Y259 HydrophobicContact CE1-CG 4.03Å; F247-Y259 HydrophobicContact CG-CD2 4.14Å; F247-Y259 HydrophobicContact CG-CE2 4.42Å; F247-Y259 PolarHBondContact O-OH 2.97Å; S249-Y259 PolarHBondContact OG-OH 3.29Å; H255-Y259 WeakPolarHBondContact O-CA 3.46Å; H255-Y259 PolarHBondContact O-N 3.43Å; Y259-T261 PolarHBondContact O-N 3.3Å; Y259-Y262 PolarHBondContact O-N 3.35Å; Y259-Y263 WeakPolarHBondContact O-CB 3.41Å; Y259-Y263 PolarHBondContact O-N 3.15Å
260P97.8Very high97.6Very high65 Ų6542.7 Ų42.742%0.42222%0.222SC..Hα-helixtrans-59.1-46.3-166.621.4-33.6000114.3L256 T264L256-P260 WeakPolarHBondContact O-CA 3.38Å; L256-P260 WeakPolarHBondContact O-CB 3.23Å; P260-T264 WeakPolarHBondContact O-CB 3.24Å; P260-T264 PolarHBondContact O-N 3.42Å; P260-T264 PolarHBondContact O-OG1 3.43Å
261T98Very high97.6Very high120 Ų12042.9 Ų42.974%0.73622%0.223SC*.Hα-helixtrans-67.3-47.4-178.7-530000111.4Y259 T264 S265Y259-T261 PolarHBondContact O-N 3.3Å; T261-T264 PolarHBondContact O-N 3.27Å; T261-S265 PolarHBondContact O-N 2.87Å; T261-S265 PolarHBondContact O-OG 2.95Å
262Y98.5Very high97.5Very high112 Ų11244.6 Ų44.644%0.43922%0.223SC..Hα-helixtrans-69-44.4-177-177-132.8000112V245 F247 Y259 T264 S265 L266V245-Y262 HydrophobicContact CG1-CE1 3.93Å; F247-Y262 HydrophobicContact CD1-CD1 4.35Å; F247-Y262 AromaticContact CE1-CD1 3.7Å; F247-Y262 HydrophobicContact CE1-CD1 3.7Å; F247-Y262 HydrophobicContact CE1-CE1 4.15Å; F247-Y262 HydrophobicContact CZ-CD1 4.38Å; Y259-Y262 PolarHBondContact O-N 3.35Å; Y262-T264 VanDerWaalsContact C-N 3.33Å; Y262-T264 PolarHBondContact O-N 3.49Å; Y262-S265 PolarHBondContact O-N 2.95Å; Y262-S265 PolarHBondContact O-OG 2.82Å; Y262-L266 HydrophobicContact CD1-CD1 4.16Å; Y262-L266 HydrophobicContact CD2-CD1 4.35Å; Y262-L266 HydrophobicContact CD2-CG 4.29Å; Y262-L266 HydrophobicContact CE1-CD1 3.86Å; Y262-L266 HydrophobicContact CE2-CD1 4.07Å; Y262-L266 HydrophobicContact CE2-CD2 4.05Å; Y262-L266 HydrophobicContact CE2-CG 4.02Å; Y262-L266 HydrophobicContact CG-CD1 4.39Å; Y262-L266 VanDerWaalsContact O-CG 3.26Å; Y262-L266 WeakPolarHBondContact O-CG 3.27Å; Y262-L266 PolarHBondContact O-N 2.78Å
263Y98.6Very high97.5Very high0 Ų046.8 Ų46.80%024%0.237CC..Hα-helixtrans-57.2-48.1173.2-177-82000111.4Y53 I56 H109 D143 L215 F247 H255 L256 Y259 S265 L266 C267Y53-Y263 AromaticContact CD1-CE1 3.87Å; Y53-Y263 HydrophobicContact CD1-CE1 3.87Å; Y53-Y263 AromaticContact CD1-CZ 3.94Å; Y53-Y263 WeakPolarHBondContact CD1-OH 3.18Å; Y53-Y263 AromaticContact CE1-CE1 3.91Å; Y53-Y263 HydrophobicContact CE1-CE1 3.91Å; Y53-Y263 AromaticContact CE1-CZ 3.69Å; Y53-Y263 VanDerWaalsContact CE1-OH 3.25Å; Y53-Y263 WeakPolarHBondContact CE1-OH 3.18Å; I56-Y263 HydrophobicContact CD1-CD1 4.01Å; I56-Y263 HydrophobicContact CD1-CE1 3.82Å; H109-Y263 AromaticContact CE1-CZ 3.96Å; H109-Y263 PolarHBondContact CE1-OH 3.43Å; H109-Y263 PolarHBondContact NE2-OH 3.42Å; D143-Y263 WeakPolarHBondContact OD2-CE2 3.46Å; D143-Y263 VanDerWaalsContact OD2-CZ 3.24Å; D143-Y263 PolarHBondContact OD2-OH 2.89Å; L215-Y263 HydrophobicContact CD1-CD2 3.94Å; L215-Y263 HydrophobicContact CD1-CE2 3.43Å; L215-Y263 VanDerWaalsContact CD1-CE2 3.43Å; F247-Y263 HydrophobicContact CE2-CD2 4.38Å; F247-Y263 AromaticContact CZ-CD2 3.9Å; F247-Y263 HydrophobicContact CZ-CD2 3.9Å; H255-Y263 HydrophobicContact CB-CD2 3.45Å; H255-Y263 VanDerWaalsContact CB-CD2 3.45Å; H255-Y263 HydrophobicContact CB-CE2 3.7Å; L256-Y263 HydrophobicContact CB-CD1 3.81Å; L256-Y263 HydrophobicContact CB-CD2 4.42Å; L256-Y263 HydrophobicContact CB-CE1 3.97Å; L256-Y263 HydrophobicContact CB-CG 4.04Å; L256-Y263 HydrophobicContact CD1-CD1 3.7Å; L256-Y263 HydrophobicContact CD1-CE1 4.3Å; L256-Y263 HydrophobicContact CD1-CG 4.33Å; L256-Y263 HydrophobicContact CG-CD1 4.27Å; Y259-Y263 WeakPolarHBondContact O-CB 3.41Å; Y259-Y263 PolarHBondContact O-N 3.15Å; Y263-S265 PolarHBondContact O-N 3.3Å; Y263-L266 PolarHBondContact O-N 3.45Å; Y263-C267 WeakPolarHBondContact CE1-SG 3.27Å; Y263-C267 PolarHBondContact O-N 2.86Å; Y263-C267 VanDerWaalsContact O-N 3.1Å; Y263-C267 PolarHBondContact O-SG 2.72Å
264T98.4Very high97.4Very high34 Ų3446.7 Ų46.721%0.20924%0.236CC..Hα-helixtrans-61-43.1179.7-620000111.6I56 P260 T261 Y262 V268I56-T264 HydrophobicContact CG1-CG2 4.39Å; I56-T264 HydrophobicContact CG2-CG2 4.04Å; P260-T264 WeakPolarHBondContact O-CB 3.24Å; P260-T264 PolarHBondContact O-N 3.42Å; P260-T264 PolarHBondContact O-OG1 3.43Å; T261-T264 PolarHBondContact O-N 3.27Å; Y262-T264 VanDerWaalsContact C-N 3.33Å; Y262-T264 PolarHBondContact O-N 3.49Å; T264-V268 HydrophobicContact CG2-CG2 4.27Å; T264-V268 WeakPolarHBondContact O-CB 3.49Å; T264-V268 WeakPolarHBondContact O-CG2 3.34Å; T264-V268 PolarHBondContact O-N 2.91Å; T264-V268 VanDerWaalsContact O-N 3.16Å
265S98.4Very high96.9Very high43 Ų4347.1 Ų47.130%0.30124%0.238SC..Hα-helixtrans-63.2-44.5177.860.30000111.4T261 Y262 Y263 C267 V268 D269T261-S265 PolarHBondContact O-N 2.87Å; T261-S265 PolarHBondContact O-OG 2.95Å; Y262-S265 PolarHBondContact O-N 2.95Å; Y262-S265 PolarHBondContact O-OG 2.82Å; Y263-S265 PolarHBondContact O-N 3.3Å; S265-C267 PolarHBondContact O-N 3.44Å; S265-V268 PolarHBondContact O-N 3.38Å; S265-V268 VanDerWaalsContact O-N 3.17Å; S265-D269 WeakPolarHBondContact O-CB 3.4Å; S265-D269 PolarHBondContact O-N 3.29Å
266L98.6Very high95.9Very high1 Ų153.1 Ų53.11%0.00527%0.266CS..Hα-helixtrans-56.8-49.4178.4-69.2169.5000112.5L213 L215 V245 F247 Y262 Y263 V268 F270L213-L266 HydrophobicContact CD2-CB 4.5Å; L215-L266 HydrophobicContact CD2-CB 4.49Å; L215-L266 HydrophobicContact CD2-CD1 3.99Å; V245-L266 HydrophobicContact CB-CD1 4.24Å; V245-L266 HydrophobicContact CG1-CD1 3.97Å; V245-L266 HydrophobicContact CG2-CD1 3.95Å; V245-L266 HydrophobicContact CG2-CD2 3.98Å; F247-L266 HydrophobicContact CE2-CD1 4.5Å; F247-L266 HydrophobicContact CZ-CD1 3.83Å; Y262-L266 HydrophobicContact CD1-CD1 4.16Å; Y262-L266 HydrophobicContact CD2-CD1 4.35Å; Y262-L266 HydrophobicContact CD2-CG 4.29Å; Y262-L266 HydrophobicContact CE1-CD1 3.86Å; Y262-L266 HydrophobicContact CE2-CD1 4.07Å; Y262-L266 HydrophobicContact CE2-CD2 4.05Å; Y262-L266 HydrophobicContact CE2-CG 4.02Å; Y262-L266 HydrophobicContact CG-CD1 4.39Å; Y262-L266 VanDerWaalsContact O-CG 3.26Å; Y262-L266 WeakPolarHBondContact O-CG 3.27Å; Y262-L266 PolarHBondContact O-N 2.78Å; Y263-L266 PolarHBondContact O-N 3.45Å; L266-V268 VanDerWaalsContact C-N 3.27Å; L266-V268 PolarHBondContact O-N 2.87Å; L266-F270 WeakPolarHBondContact O-CB 3.35Å; L266-F270 PolarHBondContact O-N 3.44Å
267C98.5Very high93.7Very high0 Ų059.8 Ų59.80%031%0.312CS..Hα-helixtrans-61.8-37.1179.1-68.70000112.6I56 Y57 Y263 S265 M271I56-C267 HydrophobicContact CG2-CB 4.33Å; Y57-C267 HydrophobicContact CE1-CB 4.35Å; Y263-C267 WeakPolarHBondContact CE1-SG 3.27Å; Y263-C267 PolarHBondContact O-N 2.86Å; Y263-C267 VanDerWaalsContact O-N 3.1Å; Y263-C267 PolarHBondContact O-SG 2.72Å; S265-C267 PolarHBondContact O-N 3.44Å; C267-M271 WeakPolarHBondContact O-CB 3.25Å; C267-M271 PolarHBondContact O-N 2.97Å
268V97.8Very high93.5Very high7 Ų754.6 Ų54.64%0.04230%0.297CS..Hα-helixtrans-78.9-45.9-174168.90000111I56 T264 S265 L266 F270 M271 Q272I56-V268 HydrophobicContact CG2-CG2 3.69Å; T264-V268 HydrophobicContact CG2-CG2 4.27Å; T264-V268 WeakPolarHBondContact O-CB 3.49Å; T264-V268 WeakPolarHBondContact O-CG2 3.34Å; T264-V268 PolarHBondContact O-N 2.91Å; T264-V268 VanDerWaalsContact O-N 3.16Å; S265-V268 PolarHBondContact O-N 3.38Å; S265-V268 VanDerWaalsContact O-N 3.17Å; L266-V268 VanDerWaalsContact C-N 3.27Å; L266-V268 PolarHBondContact O-N 2.87Å; V268-F270 VanDerWaalsContact C-N 3.29Å; V268-F270 PolarHBondContact O-N 3.48Å; V268-M271 PolarHBondContact O-N 3.39Å; V268-Q272 HydrophobicContact CG1-CG 4.47Å; V268-Q272 WeakPolarHBondContact O-CB 3.34Å; V268-Q272 VanDerWaalsContact O-CG 3.26Å; V268-Q272 WeakPolarHBondContact O-CG 3.37Å; V268-Q272 PolarHBondContact O-N 2.94Å
269D97.8Very high93.3Very high68 Ų6854.2 Ų54.236%0.36430%0.295SS..Hα-helixtrans-60.4-45176.5-63.7-14.7000109.5S265 Q272 N273S265-D269 WeakPolarHBondContact O-CB 3.4Å; S265-D269 PolarHBondContact O-N 3.29Å; D269-Q272 PolarHBondContact O-N 3.23Å; D269-N273 WeakPolarHBondContact O-CB 3.11Å; D269-N273 PolarHBondContact O-N 2.91Å; D269-N273 PolarHBondContact O-ND2 3.49Å; D269-N273 PolarHBondContact O-OD1 2.87Å
270F98.1Very high93Very high13 Ų1352.9 Ų52.96%0.05730%0.295CS..Hα-helixtrans-60.4-50.1176.6-179.2-105.9000112.3L107 T140 V141 P211 L213 L266 V268 Q272 N273 C274L107-F270 HydrophobicContact CD1-CD1 4.23Å; L107-F270 HydrophobicContact CD1-CE1 3.89Å; T140-F270 WeakPolarHBondContact O-CZ 3.4Å; V141-F270 HydrophobicContact CG2-CD1 3.54Å; V141-F270 HydrophobicContact CG2-CE1 3.68Å; P211-F270 HydrophobicContact CB-CE2 3.92Å; P211-F270 HydrophobicContact CB-CZ 4.15Å; P211-F270 WeakPolarHBondContact O-CZ 3.29Å; L213-F270 HydrophobicContact CB-CD1 3.97Å; L213-F270 HydrophobicContact CB-CD2 3.72Å; L213-F270 HydrophobicContact CB-CE1 3.97Å; L213-F270 HydrophobicContact CB-CE2 3.73Å; L213-F270 HydrophobicContact CB-CG 3.82Å; L213-F270 HydrophobicContact CB-CZ 3.84Å; L213-F270 HydrophobicContact CD2-CB 3.77Å; L213-F270 HydrophobicContact CD2-CD1 4.24Å; L213-F270 HydrophobicContact CD2-CD2 4.42Å; L213-F270 HydrophobicContact CD2-CG 3.9Å; L213-F270 HydrophobicContact CG-CG 4.47Å; L266-F270 WeakPolarHBondContact O-CB 3.35Å; L266-F270 PolarHBondContact O-N 3.44Å; V268-F270 VanDerWaalsContact C-N 3.29Å; V268-F270 PolarHBondContact O-N 3.48Å; F270-Q272 VanDerWaalsContact C-N 3.31Å; F270-Q272 PolarHBondContact O-N 2.86Å; F270-N273 PolarHBondContact O-N 3.37Å; F270-C274 PolarHBondContact O-N 3.31Å; F270-C274 PolarHBondContact O-SG 2.77Å
271M96.9Very high92.8Very high4 Ų452.2 Ų52.22%0.0229%0.288CS..Hα-helixtrans-55.4-47.1175.5175.9-168.772.500111.4P35 Y57 R60 L107 C267 V268 N273 C274 V275P35-M271 HydrophobicContact CG-CG 3.68Å; P35-M271 HydrophobicContact CG-SD 3.99Å; Y57-M271 HydrophobicContact CD1-SD 3.67Å; Y57-M271 HydrophobicContact CE1-CB 4.4Å; Y57-M271 HydrophobicContact CE1-SD 4.21Å; R60-M271 HydrophobicContact CB-CE 4.44Å; L107-M271 HydrophobicContact CD2-CB 3.85Å; L107-M271 HydrophobicContact CD2-CG 3.91Å; C267-M271 WeakPolarHBondContact O-CB 3.25Å; C267-M271 PolarHBondContact O-N 2.97Å; V268-M271 PolarHBondContact O-N 3.39Å; M271-N273 VanDerWaalsContact C-N 3.33Å; M271-N273 PolarHBondContact O-N 3.07Å; M271-C274 PolarHBondContact O-N 2.82Å; M271-V275 WeakPolarHBondContact O-CG2 2.82Å; M271-V275 PolarHBondContact O-N 3.3Å
272Q94.8Very high92.4Very high79 Ų7948 Ų4837%0.36926%0.26SS..Hα-helixtrans-65.6-35.6-177-75.2178.9-0.500113.1K32 V268 D269 F270 V275 Q276K32-Q272 PolarHBondContact NZ-O 3.47Å; K32-Q272 VanDerWaalsContact NZ-O 3.15Å; V268-Q272 HydrophobicContact CG1-CG 4.47Å; V268-Q272 WeakPolarHBondContact O-CB 3.34Å; V268-Q272 VanDerWaalsContact O-CG 3.26Å; V268-Q272 WeakPolarHBondContact O-CG 3.37Å; V268-Q272 PolarHBondContact O-N 2.94Å; D269-Q272 PolarHBondContact O-N 3.23Å; F270-Q272 VanDerWaalsContact C-N 3.31Å; F270-Q272 PolarHBondContact O-N 2.86Å; Q272-V275 WeakPolarHBondContact O-CG2 3.17Å; Q272-Q276 VanDerWaalsContact O-CG 3.28Å; Q272-Q276 WeakPolarHBondContact O-CG 3.43Å; Q272-Q276 PolarHBondContact O-N 3.1Å
273N94.4Very high92Very high84 Ų8443.7 Ų43.745%0.44925%0.248SC..Hα-helixtrans-69.2-43.7175.7-68.9-17.1000110.9D269 F270 M271 V275 Q276 C277D269-N273 WeakPolarHBondContact O-CB 3.11Å; D269-N273 PolarHBondContact O-N 2.91Å; D269-N273 PolarHBondContact O-ND2 3.49Å; D269-N273 PolarHBondContact O-OD1 2.87Å; F270-N273 PolarHBondContact O-N 3.37Å; M271-N273 VanDerWaalsContact C-N 3.33Å; M271-N273 PolarHBondContact O-N 3.07Å; N273-V275 PolarHBondContact O-N 2.81Å; N273-Q276 PolarHBondContact O-N 2.84Å; N273-C277 PolarHBondContact O-N 3.35Å; N273-C277 PolarHBondContact O-SG 2.81Å; N273-C277 VanDerWaalsContact O-SG 3.36Å
274C93.8Very high91.6Very high7 Ų746.9 Ų46.95%0.04727%0.265CS..Hα-helixtrans-59.5-32.4-179.4-68.10000113.3V138 F270 M271V138-C274 HydrophobicContact CB-CB 4.14Å; V138-C274 HydrophobicContact CG2-CB 4.14Å; V138-C274 WeakPolarHBondContact O-CB 3.41Å; V138-C274 PolarHBondContact O-SG 2.7Å; F270-C274 PolarHBondContact O-N 3.31Å; F270-C274 PolarHBondContact O-SG 2.77Å; M271-C274 PolarHBondContact O-N 2.82Å
275V87.4Confident91Very high28 Ų2847.8 Ų47.817%0.1727%0.27CS..THydrogen-bonded Turntrans-93.92.3178.4-62.50000114.3K32 P35 P105 V138 M271 Q272 N273K32-V275 HydrophobicContact CG-CG2 4.45Å; P35-V275 HydrophobicContact CB-CG1 4.21Å; P35-V275 HydrophobicContact CG-CG1 4.04Å; P105-V275 HydrophobicContact CB-CG1 4.32Å; V138-V275 HydrophobicContact CG2-CG1 4.13Å; M271-V275 WeakPolarHBondContact O-CG2 2.82Å; M271-V275 PolarHBondContact O-N 3.3Å; Q272-V275 WeakPolarHBondContact O-CG2 3.17Å; N273-V275 PolarHBondContact O-N 2.81Å
276Q76Confident90.4Very high126 Ų12648.3 Ų48.359%0.58927%0.267SS*.THydrogen-bonded Turntrans-98.7-19.1173.9-79.6174.2-23.200113.3K32 Q272 N273K32-Q276 HydrophobicContact CD-CG 4.36Å; Q272-Q276 VanDerWaalsContact O-CG 3.28Å; Q272-Q276 WeakPolarHBondContact O-CG 3.43Å; Q272-Q276 PolarHBondContact O-N 3.1Å; N273-Q276 PolarHBondContact O-N 2.84Å
277C50.9Low89.7Confident162 Ų16252.5 Ų52.5100%1.09529%0.291SS*.  trans-75.50178.5-65.60000112.5N273N273-C277 PolarHBondContact O-N 3.35Å; N273-C277 PolarHBondContact O-SG 2.81Å; N273-C277 VanDerWaalsContact O-SG 3.36Å

Retrieved 277 of 277 residues in 58.1 ms (Link to these results)

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