A0A096NGM5_PAPAN Loading...

Protein-serine/threonine kinase

AlphaFold DB , UniProt , Accession A0A096NGM5, Species PAPAN (Papio anubis, Olive baboon), Gene PDK4, Length 411 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
1M35.6Very low30.7Very low239 Ų239172.8 Ų172.8100%1.17792%0.916SS**  0104.50-83.6-155.7-81.900110
2K28.7Very low30.4Very low218 Ų218164.5 Ų164.595%0.94890%0.902SS**  trans150.492156.2-90.4-178.2178.6-179.70109.2
3A26.3Very low30.1Very low109 Ų109159.8 Ų159.890%0.90189%0.889SS**  trans-174.968.2151.900000107.8
4A30.9Very low30.8Very low94 Ų94162 Ų16278%0.77790%0.896SS**  trans-129.6105.3171.300000107
5R31.4Very low30.8Very low246 Ų246157.6 Ų157.693%0.92888%0.881SS**  trans163.293.5155.5-95.6170.3-179.2-174.40.8109.3
6F29Very low30.7Very low215 Ų215152.7 Ų152.794%0.94388%0.877SS**  trans-160.779.7146.4-140.5-90.6000111.2
7V33.1Very low31Very low136 Ų136149.9 Ų149.982%0.82488%0.877SS**  trans-146.2141.1158.4-169.60000107.8
8L30.1Very low31.6Very low160 Ų160145.6 Ų145.684%0.83887%0.87SS**  trans90.791.1175.2-68145.3000117.3
9R28.6Very low32.6Very low246 Ų246146.8 Ų146.893%0.92887%0.87SS**  175.6109.8115.8-96.6175.2-179.2-172.10.6111
10S28.9Very low34.1Very low124 Ų124141.9 Ų141.987%0.86784%0.841SS**  trans-171.275145.246.60000110.1
11A34.8Very low36.2Very low114 Ų114136.6 Ų136.694%0.94281%0.811SS**  trans-85.6109.1147.500000106.1
12G27Very low38.7Very low73 Ų73135.3 Ų135.375%0.75379%0.793SS**  trans167.2114.6177.400000114.3
13S26.7Very low41.5Very low104 Ų104128.2 Ų128.273%0.72776%0.763SS**  trans69.889.9160.5-155.60000118.7S15S13-S15 PolarHBondContact O-N 3.33Å; S13-S15 PolarHBondContact OG-OG 3.17Å
14L40.6Very low44.6Very low190 Ų190123 Ų123100%0.99572%0.72SS**  trans-70.593.2153.7-84.3144.7000109.3
15S30.1Very low47.4Very low96 Ų96123.5 Ų123.567%0.67171%0.707SS**  trans-159.7119.2164.347.10000112S13S13-S15 PolarHBondContact O-N 3.33Å; S13-S15 PolarHBondContact OG-OG 3.17Å
16G29.8Very low50.4Low79 Ų79115.9 Ų115.981%0.81468%0.681SS**SBendtrans100.9106.9160.600000116.8
17A34.8Very low53.5Low106 Ų106106 Ų10688%0.87664%0.638SS**SBendtrans4872.1155.300000118.2L19A17-L19 PolarHBondContact O-N 3.39Å
18G42.7Very low56.5Low72 Ų7299.9 Ų99.974%0.74260%0.601SS**  trans50.762.7133.200000119.8V20G18-V20 PolarHBondContact O-N 3.01Å
19L51.1Low59.5Low168 Ų168100.8 Ų100.888%0.8859%0.593SS**  trans-69.3112.2150.7-97.497.2000108.3A17A17-L19 PolarHBondContact O-N 3.39Å
20V61.7Low62.7Low49 Ų4994.5 Ų94.530%0.29757%0.57SS.*  trans-57.2127.6164.6175.40000107.4G18 R22 V24 D73G18-V20 PolarHBondContact O-N 3.01Å; V20-R22 PolarHBondContact O-N 2.66Å; V20-V24 HydrophobicContact CG1-CB 3.51Å; V20-V24 HydrophobicContact CG1-CG1 3.63Å; V20-V24 HydrophobicContact CG1-CG2 4.14Å; V20-D73 WeakPolarHBondContact CG2-OD2 3.36Å
21P78.4Confident65.9Low31 Ų3192.6 Ų92.620%0.20156%0.557CS.*  trans-52.4138176.8-24.231.5000110.4E23 V24 I93 M97P21-E23 VanDerWaalsContact CB-OE2 3.31Å; P21-E23 WeakPolarHBondContact CB-OE2 3.49Å; P21-E23 PolarHBondContact O-N 2.73Å; P21-V24 HydrophobicContact CB-CG2 4.16Å; P21-V24 HydrophobicContact CG-CG2 4.18Å; P21-V24 WeakPolarHBondContact O-CB 3.41Å; P21-V24 PolarHBondContact O-N 3.22Å; P21-I93 HydrophobicContact CG-CG2 4.01Å; P21-M97 HydrophobicContact CB-CE 3.88Å; P21-M97 HydrophobicContact CG-CE 4.42Å
22R87.3Confident69Low211 Ų21187.7 Ų87.780%0.79652%0.515SS*.Hα-helixtrans-55.7-29.7-177.4-72.9-177.8174.7-179.7-1.2111.9V20 V24 E25 H26V20-R22 PolarHBondContact O-N 2.66Å; R22-V24 VanDerWaalsContact C-N 3.35Å; R22-E25 PolarHBondContact O-N 3.22Å; R22-H26 PolarHBondContact O-N 3.37Å
23E88.4Confident72.3Confident69 Ų6986.7 Ų86.732%0.32250%0.497SS..Hα-helixtrans-63.3-38.5176.7-59.569.1-155.400111.3P21 E25 H26 F27 L96 M97 V100P21-E23 VanDerWaalsContact CB-OE2 3.31Å; P21-E23 WeakPolarHBondContact CB-OE2 3.49Å; P21-E23 PolarHBondContact O-N 2.73Å; E23-E25 VanDerWaalsContact C-N 3.34Å; E23-E25 PolarHBondContact O-N 3.15Å; E23-H26 PolarHBondContact O-N 2.73Å; E23-F27 HydrophobicContact CB-CD2 4.32Å; E23-F27 WeakPolarHBondContact O-CB 3.36Å; E23-F27 WeakPolarHBondContact O-CD2 3.27Å; E23-F27 PolarHBondContact O-N 3.15Å; E23-L96 HydrophobicContact CB-CD2 4.41Å; E23-M97 HydrophobicContact CB-CE 3.77Å; E23-M97 HydrophobicContact CG-CE 3.9Å; E23-V100 HydrophobicContact CB-CG2 4.49Å; E23-V100 HydrophobicContact CG-CG1 4.22Å; E23-V100 HydrophobicContact CG-CG2 4.48Å
24V90.6Very high75.7Confident1 Ų184.9 Ų84.91%0.00648%0.483CS..Hα-helixtrans-64-43175.8177.20000110V20 P21 R22 S28 L69 R70 L96V20-V24 HydrophobicContact CG1-CB 3.51Å; V20-V24 HydrophobicContact CG1-CG1 3.63Å; V20-V24 HydrophobicContact CG1-CG2 4.14Å; P21-V24 HydrophobicContact CB-CG2 4.16Å; P21-V24 HydrophobicContact CG-CG2 4.18Å; P21-V24 WeakPolarHBondContact O-CB 3.41Å; P21-V24 PolarHBondContact O-N 3.22Å; R22-V24 VanDerWaalsContact C-N 3.35Å; V24-S28 WeakPolarHBondContact O-CB 3.36Å; V24-S28 PolarHBondContact O-N 2.84Å; V24-S28 PolarHBondContact O-OG 3.42Å; V24-L69 HydrophobicContact CG1-CB 3.93Å; V24-L69 HydrophobicContact CG2-CD1 3.89Å; V24-R70 HydrophobicContact CG1-CG 4.07Å; V24-L96 HydrophobicContact CB-CD2 4.37Å; V24-L96 HydrophobicContact CG2-CD2 3.43Å; V24-L96 VanDerWaalsContact CG2-CD2 3.43Å
25E90.6Very high78.4Confident104 Ų10477.3 Ų77.349%0.48644%0.443SS..Hα-helixtrans-65.3-39.6176.4-167.4-175.1169.300111.8R22 E23 S28 R29R22-E25 PolarHBondContact O-N 3.22Å; E23-E25 VanDerWaalsContact C-N 3.34Å; E23-E25 PolarHBondContact O-N 3.15Å; E25-S28 PolarHBondContact O-OG 2.72Å; E25-R29 WeakPolarHBondContact O-CG 3.33Å; E25-R29 PolarHBondContact O-NE 2.96Å; E25-R29 IonicContact OE1-CZ 2.83Å; E25-R29 IonicContact OE1-NH2 3.83Å; E25-R29 PolarHBondContact OE1-NH2 3.3Å
26H93.3Very high81.6Confident85 Ų8573.2 Ų73.239%0.39441%0.414SS..Hα-helixtrans-63.9-54.9177.3-178.774.9000111.9R22 E23 Y30R22-H26 PolarHBondContact O-N 3.37Å; E23-H26 PolarHBondContact O-N 2.73Å; H26-Y30 AromaticContact CD2-CE2 3.88Å; H26-Y30 PolarHBondContact CE1-OH 3.18Å; H26-Y30 AromaticContact NE2-CE2 3.57Å; H26-Y30 AromaticContact NE2-CZ 3.86Å; H26-Y30 PolarHBondContact NE2-OH 3.09Å; H26-Y30 WeakPolarHBondContact O-CE2 3.02Å
27F95.6Very high84.8Confident9 Ų969.4 Ų69.44%0.03938%0.376CS..Hα-helixtrans-75.7-27.1-171.7-76.8-70.5000113.7E23 R29 Y30 P62 V63 A66 L96 V100 H103E23-F27 HydrophobicContact CB-CD2 4.32Å; E23-F27 WeakPolarHBondContact O-CB 3.36Å; E23-F27 WeakPolarHBondContact O-CD2 3.27Å; E23-F27 PolarHBondContact O-N 3.15Å; F27-R29 PolarHBondContact O-N 3.26Å; F27-Y30 HydrophobicContact CD1-CD2 4.33Å; F27-Y30 HydrophobicContact CD1-CE2 4.4Å; F27-Y30 PolarHBondContact O-N 3.4Å; F27-P62 HydrophobicContact CD1-CB 3.75Å; F27-P62 HydrophobicContact CD2-CB 4.01Å; F27-P62 HydrophobicContact CE1-CB 3.86Å; F27-P62 HydrophobicContact CE2-CB 4.14Å; F27-P62 HydrophobicContact CG-CB 3.84Å; F27-P62 HydrophobicContact CZ-CB 4.07Å; F27-V63 HydrophobicContact CD1-CG2 3.93Å; F27-A66 HydrophobicContact CB-CB 3.43Å; F27-A66 VanDerWaalsContact CB-CB 3.43Å; F27-L96 HydrophobicContact CD2-CD1 4.47Å; F27-V100 HydrophobicContact CD2-CG2 4.26Å; F27-V100 HydrophobicContact CE2-CG2 3.62Å; F27-V100 HydrophobicContact CZ-CG2 4.33Å; F27-H103 AromaticContact CE1-CE1 3.88Å; F27-H103 AromaticContact CZ-CE1 3.86Å; F27-H103 AromaticContact CZ-ND1 3.83Å
28S94.7Very high87.7Confident6 Ų668.5 Ų68.54%0.04235%0.352CS..THydrogen-bonded Turntrans-71.5-12.7179.1600000114.6V24 E25 Y30 R70V24-S28 WeakPolarHBondContact O-CB 3.36Å; V24-S28 PolarHBondContact O-N 2.84Å; V24-S28 PolarHBondContact O-OG 3.42Å; E25-S28 PolarHBondContact O-OG 2.72Å; S28-Y30 VanDerWaalsContact C-N 3.32Å; S28-R70 WeakPolarHBondContact OG-CG 3.28Å
29R94.1Very high90.3Very high180 Ų18069.9 Ų69.968%0.67934%0.339SS*.THydrogen-bonded Turntrans-77.9-19.2175-66.5171.9-174.4-164.41.7112.6E25 F27E25-R29 WeakPolarHBondContact O-CG 3.33Å; E25-R29 PolarHBondContact O-NE 2.96Å; E25-R29 IonicContact OE1-CZ 2.83Å; E25-R29 IonicContact OE1-NH2 3.83Å; E25-R29 PolarHBondContact OE1-NH2 3.3Å; F27-R29 PolarHBondContact O-N 3.26Å
30Y96.3Very high92.3Very high113 Ų11362.4 Ų62.444%0.44330%0.3SS..SBendtrans-85.3146.3177.3-56-74.4000110.9H26 F27 S28 V63 N67H26-Y30 AromaticContact CD2-CE2 3.88Å; H26-Y30 PolarHBondContact CE1-OH 3.18Å; H26-Y30 AromaticContact NE2-CE2 3.57Å; H26-Y30 AromaticContact NE2-CZ 3.86Å; H26-Y30 PolarHBondContact NE2-OH 3.09Å; H26-Y30 WeakPolarHBondContact O-CE2 3.02Å; F27-Y30 HydrophobicContact CD1-CD2 4.33Å; F27-Y30 HydrophobicContact CD1-CE2 4.4Å; F27-Y30 PolarHBondContact O-N 3.4Å; S28-Y30 VanDerWaalsContact C-N 3.32Å; Y30-V63 HydrophobicContact CD2-CG2 4.1Å; Y30-V63 HydrophobicContact CG-CG2 4.31Å; Y30-V63 WeakPolarHBondContact O-CG1 3.19Å; Y30-N67 PolarHBondContact O-ND2 3.01Å
31S96.3Very high93.9Very high84 Ų8461.2 Ų61.259%0.58729%0.292SS*.PPolyproline II helixtrans-83.7132.8173.2-63.50000109.8
32P97.9Very high94.5Very high11 Ų1162.2 Ų62.27%0.07130%0.295CS..PPolyproline II helixtrans-55.7144.3170.5-26.334.9000112.5P34 E60 V63 R64 L375P32-P34 WeakPolarHBondContact O-CD 3.25Å; P32-E60 WeakPolarHBondContact CA-OE1 3.38Å; P32-V63 HydrophobicContact CG-CG1 4.27Å; P32-R64 HydrophobicContact CB-CG 4.1Å; P32-R64 HydrophobicContact CG-CG 4.4Å; P32-L375 HydrophobicContact CB-CB 4.24Å; P32-L375 HydrophobicContact CB-CD1 3.67Å
33S98.1Very high94.7Very high53 Ų5354.6 Ų54.637%0.37127%0.268SS..  trans-96.4107.7179.4-46.80000109.6E60 R64S33-E60 VanDerWaalsContact CB-OE2 3.25Å; S33-E60 WeakPolarHBondContact CB-OE2 3.49Å; S33-E60 PolarHBondContact N-OE1 3.14Å; S33-E60 PolarHBondContact N-OE2 3.26Å; S33-E60 PolarHBondContact OG-OE2 3.4Å; S33-R64 PolarHBondContact O-NH2 3.32Å
34P97.8Very high94.6Very high66 Ų6652 Ų5243%0.42926%0.26SS..  trans-74.7137.1178.231.1-34.4000111.2P32 I372 E373 L375P32-P34 WeakPolarHBondContact O-CD 3.25Å; P34-I372 HydrophobicContact CB-CG2 4.01Å; P34-E373 HydrophobicContact CB-CB 3.97Å; P34-E373 WeakPolarHBondContact CB-O 3.3Å; P34-L375 HydrophobicContact CB-CD1 4.07Å; P34-L375 HydrophobicContact CB-CG 4.45Å
35L97.6Very high94.2Very high30 Ų3055.1 Ų55.116%0.15728%0.282CS..  trans-106.5147.5172.8-60.6178.5000111.1L40 F56 L172 E373L35-L40 HydrophobicContact CB-CD2 4.4Å; L35-L40 HydrophobicContact CB-CG 4.24Å; L35-L40 HydrophobicContact CD1-CD2 3.69Å; L35-L40 HydrophobicContact CD1-CG 4.4Å; L35-F56 HydrophobicContact CD1-CE1 3.81Å; L35-F56 HydrophobicContact CD1-CZ 3.91Å; L35-F56 HydrophobicContact CD2-CZ 4.24Å; L35-F56 HydrophobicContact CG-CZ 4.2Å; L35-L172 HydrophobicContact CD1-CD2 3.9Å; L35-E373 PolarHBondContact N-OE2 2.9Å; L35-E373 VanDerWaalsContact O-CG 3.31Å; L35-E373 WeakPolarHBondContact O-CG 3.5Å; L35-E373 PolarHBondContact O-N 3.06Å
36S97.7Very high93.6Very high10 Ų1057.3 Ų57.37%0.0729%0.292CS..BIsolated β-bridgetrans-84.6155.6166.660.40000111.6K38 Q39 L40 S371S36-K38 PolarHBondContact O-N 3.21Å; S36-Q39 PolarHBondContact O-N 2.92Å; S36-Q39 VanDerWaalsContact O-N 3.14Å; S36-Q39 WeakPolarHBondContact OG-CB 3.49Å; S36-Q39 VanDerWaalsContact OG-CG 3.27Å; S36-Q39 WeakPolarHBondContact OG-CG 3.4Å; S36-Q39 PolarHBondContact OG-N 3.22Å; S36-Q39 VanDerWaalsContact OG-N 3.07Å; S36-Q39 PolarHBondContact OG-OE1 2.78Å; S36-L40 PolarHBondContact O-N 3.39Å; S36-S371 CarbonylContact C-O 3.57Å; S36-S371 VanDerWaalsContact CA-O 3.28Å; S36-S371 WeakPolarHBondContact CA-O 3.19Å
37M96.1Very high92.6Very high0 Ų058.3 Ų58.30%030%0.3CS..Hα-helixtrans-57.1-36.6168.4-73.1-165.8-146.600111.5L40 L41 V242 Y243 F344 S371M37-L40 PolarHBondContact O-N 3.19Å; M37-L41 VanDerWaalsContact O-CB 3.25Å; M37-L41 WeakPolarHBondContact O-CB 3.27Å; M37-L41 PolarHBondContact O-N 2.95Å; M37-V242 VanDerWaalsContact SD-O 3.41Å; M37-Y243 HydrophobicContact CE-CD2 3.21Å; M37-Y243 HydrophobicContact CE-CE2 3.21Å; M37-Y243 HydrophobicContact CE-CG 4.24Å; M37-Y243 HydrophobicContact SD-CD2 3.98Å; M37-F344 HydrophobicContact CE-CB 3.55Å; M37-F344 HydrophobicContact CE-CD1 3.98Å; M37-F344 HydrophobicContact CE-CD2 3.21Å; M37-F344 HydrophobicContact CE-CE1 4.46Å; M37-F344 HydrophobicContact CE-CE2 3.76Å; M37-F344 HydrophobicContact CE-CG 3.34Å; M37-F344 HydrophobicContact CE-CZ 4.36Å; M37-F344 HydrophobicContact CG-CD1 4.02Å; M37-F344 HydrophobicContact CG-CD2 4.45Å; M37-F344 HydrophobicContact CG-CE1 3.85Å; M37-F344 HydrophobicContact CG-CE2 4.26Å; M37-F344 HydrophobicContact CG-CG 4.33Å; M37-F344 HydrophobicContact CG-CZ 3.97Å; M37-S371 PolarHBondContact N-O 3.44Å
38K95.8Very high91.9Very high87 Ų8760.4 Ų60.438%0.37832%0.319SS..Hα-helixtrans-57.3-49.2173.8177.2166.317548.80111.8S36 L40 L41 D42 S368S36-K38 PolarHBondContact O-N 3.21Å; K38-L40 VanDerWaalsContact C-N 3.33Å; K38-L40 PolarHBondContact O-N 3.08Å; K38-L41 PolarHBondContact O-N 3.32Å; K38-D42 WeakPolarHBondContact CE-OD2 3.23Å; K38-D42 VanDerWaalsContact CG-OD2 3.28Å; K38-D42 WeakPolarHBondContact CG-OD2 3.36Å; K38-D42 IonicContact NZ-OD1 2.71Å; K38-D42 PolarHBondContact NZ-OD1 3.06Å; K38-D42 VanDerWaalsContact NZ-OD1 3.15Å; K38-D42 IonicContact NZ-OD2 3.8Å; K38-D42 PolarHBondContact NZ-OD2 3Å; K38-D42 WeakPolarHBondContact O-CB 3.5Å; K38-D42 PolarHBondContact O-N 3.03Å; K38-S368 PolarHBondContact N-O 3.26Å
39Q96Very high91.7Very high101 Ų10162.6 Ų62.647%0.47233%0.334SS..Hα-helixtrans-61.2-41.5177.8-75.5165.4-61.400112.4S36 F43S36-Q39 PolarHBondContact O-N 2.92Å; S36-Q39 VanDerWaalsContact O-N 3.14Å; S36-Q39 WeakPolarHBondContact OG-CB 3.49Å; S36-Q39 VanDerWaalsContact OG-CG 3.27Å; S36-Q39 WeakPolarHBondContact OG-CG 3.4Å; S36-Q39 PolarHBondContact OG-N 3.22Å; S36-Q39 VanDerWaalsContact OG-N 3.07Å; S36-Q39 PolarHBondContact OG-OE1 2.78Å; Q39-F43 WeakPolarHBondContact O-CB 3.36Å; Q39-F43 PolarHBondContact O-N 3.11Å
40L94.9Very high91.7Very high11 Ų1155.9 Ų55.96%0.05831%0.31CS..Hα-helixtrans-64.8-40.7177.2-68169.3000111.8L35 S36 M37 K38 G44 M171 I194L35-L40 HydrophobicContact CB-CD2 4.4Å; L35-L40 HydrophobicContact CB-CG 4.24Å; L35-L40 HydrophobicContact CD1-CD2 3.69Å; L35-L40 HydrophobicContact CD1-CG 4.4Å; S36-L40 PolarHBondContact O-N 3.39Å; M37-L40 PolarHBondContact O-N 3.19Å; K38-L40 VanDerWaalsContact C-N 3.33Å; K38-L40 PolarHBondContact O-N 3.08Å; L40-G44 PolarHBondContact O-N 2.58Å; L40-M171 HydrophobicContact CD1-CE 3.74Å; L40-I194 HydrophobicContact CB-CD1 3.52Å; L40-I194 HydrophobicContact CD1-CD1 4.13Å; L40-I194 HydrophobicContact CG-CD1 4.46Å
41L93.4Very high91.6Very high23 Ų2356.2 Ų56.212%0.1231%0.311CS..Hα-helixtrans-68.4-49.9178.7-172.276.7000112M37 K38 F43 G44 S45 I191 I194 P196 V242M37-L41 VanDerWaalsContact O-CB 3.25Å; M37-L41 WeakPolarHBondContact O-CB 3.27Å; M37-L41 PolarHBondContact O-N 2.95Å; K38-L41 PolarHBondContact O-N 3.32Å; L41-F43 VanDerWaalsContact C-N 3.27Å; L41-F43 PolarHBondContact O-N 3.36Å; L41-G44 PolarHBondContact O-N 3Å; L41-S45 VanDerWaalsContact O-CB 3.3Å; L41-S45 WeakPolarHBondContact O-CB 3.44Å; L41-S45 PolarHBondContact O-N 3.07Å; L41-S45 PolarHBondContact O-OG 3.41Å; L41-I191 HydrophobicContact CD1-CB 4.33Å; L41-I191 HydrophobicContact CD1-CD1 3.33Å; L41-I191 HydrophobicContact CD1-CG1 4.45Å; L41-I191 HydrophobicContact CG-CD1 4.22Å; L41-I194 HydrophobicContact CD1-CG2 4.01Å; L41-P196 HydrophobicContact CD1-CB 4.03Å; L41-V242 HydrophobicContact CD1-CG1 4.44Å; L41-V242 HydrophobicContact CD2-CG1 4.16Å; L41-V242 HydrophobicContact CD2-CG2 4.3Å
42D92.6Very high91.5Very high52 Ų5256.1 Ų56.128%0.27831%0.307SS..Hα-helixtrans-61.3-39.9179.7-65.4-10000109.9K38 E46K38-D42 WeakPolarHBondContact CE-OD2 3.23Å; K38-D42 VanDerWaalsContact CG-OD2 3.28Å; K38-D42 WeakPolarHBondContact CG-OD2 3.36Å; K38-D42 IonicContact NZ-OD1 2.71Å; K38-D42 PolarHBondContact NZ-OD1 3.06Å; K38-D42 VanDerWaalsContact NZ-OD1 3.15Å; K38-D42 IonicContact NZ-OD2 3.8Å; K38-D42 PolarHBondContact NZ-OD2 3Å; K38-D42 WeakPolarHBondContact O-CB 3.5Å; K38-D42 PolarHBondContact O-N 3.03Å; D42-E46 PolarHBondContact O-N 3.42Å; D42-E46 VanDerWaalsContact O-N 3.17Å
43F91.6Very high91.4Very high51 Ų5156.3 Ų56.322%0.22431%0.308CS..Hα-helixtrans-60.1-51.2175.7176.3-97.3000112.2Q39 L41 N47 A48 C49 T52 F180Q39-F43 WeakPolarHBondContact O-CB 3.36Å; Q39-F43 PolarHBondContact O-N 3.11Å; L41-F43 VanDerWaalsContact C-N 3.27Å; L41-F43 PolarHBondContact O-N 3.36Å; F43-N47 CarbonylContact O-C 3.59Å; F43-N47 PolarHBondContact O-N 3.21Å; F43-A48 WeakPolarHBondContact O-CA 3.22Å; F43-A48 PolarHBondContact O-N 3.01Å; F43-C49 WeakPolarHBondContact CZ-O 3.47Å; F43-T52 HydrophobicContact CE2-CG2 4.19Å; F43-F180 HydrophobicContact CE1-CE2 4.13Å; F43-F180 AromaticContact CE1-CZ 3.97Å; F43-F180 HydrophobicContact CE1-CZ 3.97Å; F43-F180 HydrophobicContact CZ-CE2 4.38Å; F43-F180 HydrophobicContact CZ-CZ 4.03Å
44G85.5Confident91.4Very high15 Ų1553.8 Ų53.816%0.15529%0.291CS..Hα-helixtrans-78.7-17.9-175.800000114.8L40 L41 I191L40-G44 PolarHBondContact O-N 2.58Å; L41-G44 PolarHBondContact O-N 3Å; G44-I191 VanDerWaalsContact CA-CG2 3.47Å
45S82.9Confident91.3Very high67 Ų6752.1 Ų52.147%0.46928%0.282SS..Hα-helixtrans-88-49-179.6-55.20000113.3L41 I191L41-S45 VanDerWaalsContact O-CB 3.3Å; L41-S45 WeakPolarHBondContact O-CB 3.44Å; L41-S45 PolarHBondContact O-N 3.07Å; L41-S45 PolarHBondContact O-OG 3.41Å; S45-I191 WeakPolarHBondContact OG-CD1 3.41Å
46E76.6Confident91.3Very high150 Ų15053.6 Ų53.670%0.70129%0.288SS*.Hα-helixtrans-108.5-30-167.2-62.9-179.2176.200112.5D42D42-E46 PolarHBondContact O-N 3.42Å; D42-E46 VanDerWaalsContact O-N 3.17Å
47N72.4Confident91.3Very high106 Ų10653.3 Ų53.357%0.56729%0.285SS*.  trans-133.736.7-167-68.9-59.1000112.5F43 C49F43-N47 CarbonylContact O-C 3.59Å; F43-N47 PolarHBondContact O-N 3.21Å; N47-C49 WeakPolarHBondContact O-CB 3.38Å; N47-C49 PolarHBondContact O-N 3.12Å
48A81.1Confident91.4Very high53 Ų5354.8 Ų54.844%0.43829%0.291SS..  trans-63.583.9-177.500000110.9F43 I179 F180F43-A48 WeakPolarHBondContact O-CA 3.22Å; F43-A48 PolarHBondContact O-N 3.01Å; A48-I179 HydrophobicContact CB-CG2 4.22Å; A48-F180 HydrophobicContact CB-CE1 4.44Å
49C91.8Very high91.4Very high51 Ų5155.5 Ų55.535%0.34530%0.296SS..  trans-114.3105.3-175.2179.20000108.6F43 N47 R51 T52 S53F43-C49 WeakPolarHBondContact CZ-O 3.47Å; N47-C49 WeakPolarHBondContact O-CB 3.38Å; N47-C49 PolarHBondContact O-N 3.12Å; C49-R51 PolarHBondContact O-N 3.37Å; C49-T52 WeakPolarHBondContact O-CB 3.28Å; C49-T52 PolarHBondContact O-N 3.32Å; C49-T52 PolarHBondContact SG-OG1 3.2Å; C49-T52 VanDerWaalsContact SG-OG1 3.39Å; C49-S53 PolarHBondContact O-N 3.28Å; C49-S53 VanDerWaalsContact O-N 3.08Å
50E93.8Very high91.5Very high40 Ų4051.1 Ų51.119%0.18728%0.275CS..Hα-helixtrans-54.1-41.6-178.4-169.5-179.3-169.600111.7T52 S53 F54 L113 F180E50-T52 VanDerWaalsContact C-N 3.3Å; E50-T52 PolarHBondContact O-N 3.27Å; E50-S53 PolarHBondContact O-N 3Å; E50-F54 VanDerWaalsContact O-CB 3.27Å; E50-F54 WeakPolarHBondContact O-CB 3.27Å; E50-F54 PolarHBondContact O-N 3.13Å; E50-L113 HydrophobicContact CG-CD1 4.35Å; E50-L113 HydrophobicContact CG-CD2 4.39Å; E50-F180 HydrophobicContact CB-CD1 3.65Å; E50-F180 HydrophobicContact CB-CD2 4.49Å; E50-F180 HydrophobicContact CB-CE1 3.75Å; E50-F180 HydrophobicContact CB-CG 4.05Å; E50-F180 HydrophobicContact CB-CZ 4.23Å; E50-F180 HydrophobicContact CG-CB 4.15Å; E50-F180 HydrophobicContact CG-CD1 3.95Å; E50-F180 HydrophobicContact CG-CD2 4.22Å; E50-F180 HydrophobicContact CG-CE1 4.44Å; E50-F180 HydrophobicContact CG-CG 3.84Å
51R94.2Very high91.7Very high119 Ų11950.7 Ų50.745%0.44927%0.273SS..Hα-helixtrans-58.6-40.7178.4-53.6-168.3-175.7166.47.7112.7C49 A55 P107 D108 L113C49-R51 PolarHBondContact O-N 3.37Å; R51-A55 VanDerWaalsContact O-CB 3.23Å; R51-A55 WeakPolarHBondContact O-CB 3.43Å; R51-A55 PolarHBondContact O-N 2.96Å; R51-P107 HydrophobicContact CB-CB 4.14Å; R51-P107 WeakPolarHBondContact CD-O 3.28Å; R51-P107 VanDerWaalsContact CG-O 3.27Å; R51-P107 WeakPolarHBondContact CG-O 3.5Å; R51-D108 IonicContact CZ-OD1 3.41Å; R51-D108 IonicContact NE-OD1 2.71Å; R51-D108 IonicContact NH1-OD1 3.57Å; R51-D108 PolarHBondContact NH1-OD1 2.97Å; R51-L113 HydrophobicContact CG-CD1 4.22Å
52T94.1Very high91.9Very high83 Ų8349.6 Ų49.651%0.50927%0.267SS..Hα-helixtrans-70.7-44.1179.1-57.20000110.5F43 C49 E50 A55 F56F43-T52 HydrophobicContact CE2-CG2 4.19Å; C49-T52 WeakPolarHBondContact O-CB 3.28Å; C49-T52 PolarHBondContact O-N 3.32Å; C49-T52 PolarHBondContact SG-OG1 3.2Å; C49-T52 VanDerWaalsContact SG-OG1 3.39Å; E50-T52 VanDerWaalsContact C-N 3.3Å; E50-T52 PolarHBondContact O-N 3.27Å; T52-A55 PolarHBondContact O-N 3.2Å; T52-F56 PolarHBondContact O-N 3.4Å; T52-F56 VanDerWaalsContact O-N 3.09Å
53S96.4Very high92.2Very high14 Ų1447.6 Ų47.610%0.09826%0.257CS..Hα-helixtrans-61.4-46.6175.5-166.20000111.7C49 E50 F56 L57 H176C49-S53 PolarHBondContact O-N 3.28Å; C49-S53 VanDerWaalsContact O-N 3.08Å; E50-S53 PolarHBondContact O-N 3Å; S53-F56 PolarHBondContact O-N 3.04Å; S53-L57 WeakPolarHBondContact O-CB 3.5Å; S53-L57 VanDerWaalsContact O-CG 3.28Å; S53-L57 WeakPolarHBondContact O-CG 3.43Å; S53-L57 PolarHBondContact O-N 3.01Å; S53-H176 WeakPolarHBondContact CB-ND1 3.11Å; S53-H176 PolarHBondContact OG-ND1 3.15Å
54F97.3Very high92.5Very high0 Ų045.1 Ų45.10%025%0.246CC..Hα-helixtrans-58.3-49175.5170.3-105.7000111.9E50 F56 L57 R58 F102 K105 P107 L113 F116E50-F54 VanDerWaalsContact O-CB 3.27Å; E50-F54 WeakPolarHBondContact O-CB 3.27Å; E50-F54 PolarHBondContact O-N 3.13Å; F54-F56 VanDerWaalsContact C-N 3.27Å; F54-F56 PolarHBondContact O-N 3.28Å; F54-L57 PolarHBondContact O-N 3.06Å; F54-R58 VanDerWaalsContact CE1-NH1 3.29Å; F54-R58 HydrophobicContact CE2-CB 4.46Å; F54-R58 WeakPolarHBondContact O-CB 3.34Å; F54-R58 WeakPolarHBondContact O-CD 3.45Å; F54-R58 VanDerWaalsContact O-CG 3.25Å; F54-R58 WeakPolarHBondContact O-CG 3.39Å; F54-R58 PolarHBondContact O-N 3.5Å; F54-F102 HydrophobicContact CE2-CB 4.1Å; F54-F102 AromaticContact CE2-CD1 3.91Å; F54-F102 HydrophobicContact CE2-CD1 3.91Å; F54-F102 HydrophobicContact CE2-CG 4.38Å; F54-F102 HydrophobicContact CZ-CB 4.27Å; F54-F102 HydrophobicContact CZ-CD1 4.32Å; F54-K105 HydrophobicContact CZ-CB 4.32Å; F54-P107 HydrophobicContact CD1-CB 4.04Å; F54-P107 HydrophobicContact CD1-CG 4.29Å; F54-P107 HydrophobicContact CE1-CB 4.41Å; F54-P107 HydrophobicContact CE1-CG 4.38Å; F54-L113 HydrophobicContact CB-CD2 3.56Å; F54-L113 HydrophobicContact CD1-CD2 3.69Å; F54-L113 HydrophobicContact CD2-CD2 4.04Å; F54-L113 HydrophobicContact CE1-CD2 4.38Å; F54-L113 HydrophobicContact CG-CD2 3.48Å; F54-L113 VanDerWaalsContact CG-CD2 3.48Å; F54-F116 HydrophobicContact CD2-CB 3.87Å; F54-F116 AromaticContact CD2-CD1 3.56Å; F54-F116 HydrophobicContact CD2-CD1 3.56Å; F54-F116 HydrophobicContact CD2-CD2 4.02Å; F54-F116 AromaticContact CD2-CE1 3.99Å; F54-F116 HydrophobicContact CD2-CE1 3.99Å; F54-F116 HydrophobicContact CD2-CE2 4.43Å; F54-F116 AromaticContact CD2-CG 3.55Å; F54-F116 HydrophobicContact CD2-CG 3.55Å; F54-F116 HydrophobicContact CD2-CZ 4.4Å; F54-F116 HydrophobicContact CE2-CB 3.83Å; F54-F116 HydrophobicContact CE2-CD1 4.2Å; F54-F116 AromaticContact CE2-CD2 3.84Å; F54-F116 HydrophobicContact CE2-CD2 3.84Å; F54-F116 HydrophobicContact CE2-CE2 4.4Å; F54-F116 AromaticContact CE2-CG 3.7Å; F54-F116 HydrophobicContact CE2-CG 3.7Å
55A96.3Very high93.1Very high31 Ų3144.6 Ų44.626%0.25624%0.24SC..Hα-helixtrans-59.7-38-179.600000112.5R51 T52 P107R51-A55 VanDerWaalsContact O-CB 3.23Å; R51-A55 WeakPolarHBondContact O-CB 3.43Å; R51-A55 PolarHBondContact O-N 2.96Å; T52-A55 PolarHBondContact O-N 3.2Å; A55-P107 HydrophobicContact CB-CG 4.29Å
56F97.3Very high93.8Very high61 Ų6141.4 Ų41.427%0.26822%0.217SC..Hα-helixtrans-70.9-54.6174.2175.6-104.5000112L35 T52 S53 F54 R58 Q59 E60 L172L35-F56 HydrophobicContact CD1-CE1 3.81Å; L35-F56 HydrophobicContact CD1-CZ 3.91Å; L35-F56 HydrophobicContact CD2-CZ 4.24Å; L35-F56 HydrophobicContact CG-CZ 4.2Å; T52-F56 PolarHBondContact O-N 3.4Å; T52-F56 VanDerWaalsContact O-N 3.09Å; S53-F56 PolarHBondContact O-N 3.04Å; F54-F56 VanDerWaalsContact C-N 3.27Å; F54-F56 PolarHBondContact O-N 3.28Å; F56-R58 PolarHBondContact O-N 3.22Å; F56-Q59 PolarHBondContact O-N 2.9Å; F56-Q59 VanDerWaalsContact O-N 3.11Å; F56-E60 HydrophobicContact CD1-CB 4.34Å; F56-E60 HydrophobicContact CE1-CB 3.94Å; F56-E60 HydrophobicContact CE1-CG 3.9Å; F56-E60 HydrophobicContact CE2-CB 4.15Å; F56-E60 HydrophobicContact CE2-CG 4.24Å; F56-E60 HydrophobicContact CZ-CB 3.84Å; F56-E60 HydrophobicContact CZ-CG 3.6Å; F56-E60 WeakPolarHBondContact O-CB 3.44Å; F56-E60 PolarHBondContact O-N 3.43Å; F56-L172 HydrophobicContact CE1-CD1 4.29Å; F56-L172 HydrophobicContact CE1-CD2 4.27Å
57L98Very high94.8Very high4 Ų434.4 Ų34.42%0.02118%0.184CC..Hα-helixtrans-68.6-33.5-170.3-69.3179.5000114.1S53 F54 Q59 E60 L61 F116 L120 L172 H176S53-L57 WeakPolarHBondContact O-CB 3.5Å; S53-L57 VanDerWaalsContact O-CG 3.28Å; S53-L57 WeakPolarHBondContact O-CG 3.43Å; S53-L57 PolarHBondContact O-N 3.01Å; F54-L57 PolarHBondContact O-N 3.06Å; L57-Q59 PolarHBondContact O-N 3.31Å; L57-E60 PolarHBondContact O-N 2.91Å; L57-L61 HydrophobicContact CB-CD1 4.22Å; L57-L61 HydrophobicContact CB-CG 4.44Å; L57-L61 HydrophobicContact CD2-CG 4.3Å; L57-L61 WeakPolarHBondContact O-CB 3.45Å; L57-L61 PolarHBondContact O-N 2.88Å; L57-F116 HydrophobicContact CB-CE1 3.99Å; L57-F116 HydrophobicContact CB-CZ 3.8Å; L57-F116 HydrophobicContact CD1-CE1 4.4Å; L57-L120 HydrophobicContact CD1-CD1 4.43Å; L57-L172 HydrophobicContact CD2-CB 3.71Å; L57-L172 HydrophobicContact CD2-CD1 3.8Å; L57-L172 HydrophobicContact CD2-CD2 4.23Å; L57-L172 HydrophobicContact CD2-CG 4.13Å; L57-H176 HydrophobicContact CD1-CB 3.5Å; L57-H176 VanDerWaalsContact CD1-CB 3.5Å
58R96.4Very high96Very high32 Ų3229.4 Ų29.412%0.12116%0.158CC..Hα-helixtrans-65-15.3175.376.6-170.5-174.91646.6113.3F54 F56 P62 F102 K105 F116F54-R58 VanDerWaalsContact CE1-NH1 3.29Å; F54-R58 HydrophobicContact CE2-CB 4.46Å; F54-R58 WeakPolarHBondContact O-CB 3.34Å; F54-R58 WeakPolarHBondContact O-CD 3.45Å; F54-R58 VanDerWaalsContact O-CG 3.25Å; F54-R58 WeakPolarHBondContact O-CG 3.39Å; F54-R58 PolarHBondContact O-N 3.5Å; F56-R58 PolarHBondContact O-N 3.22Å; R58-P62 WeakPolarHBondContact O-CG 3.48Å; R58-F102 HydrophobicContact CB-CB 4.37Å; R58-K105 PolarHBondContact NH1-O 3.01Å; R58-F116 HydrophobicContact CB-CE2 4.35Å
59Q96.4Very high96.8Very high102 Ų10227 Ų2748%0.47714%0.138SC..Hα-helixtrans-100.9-49.1172.7-64-176.5-3.200110.5F56 L57 P62 V63F56-Q59 PolarHBondContact O-N 2.9Å; F56-Q59 VanDerWaalsContact O-N 3.11Å; L57-Q59 PolarHBondContact O-N 3.31Å; Q59-P62 WeakPolarHBondContact O-CD 3.28Å; Q59-V63 WeakPolarHBondContact O-CG2 3.22Å; Q59-V63 PolarHBondContact O-N 2.88Å
60E98.4Very high96.9Very high9 Ų927.8 Ų27.84%0.04213%0.133CC..Hα-helixtrans-68.4-40.9-172.3-175.263.3-157.100113.3P32 S33 F56 L57 V63 R64 L172P32-E60 WeakPolarHBondContact CA-OE1 3.38Å; S33-E60 VanDerWaalsContact CB-OE2 3.25Å; S33-E60 WeakPolarHBondContact CB-OE2 3.49Å; S33-E60 PolarHBondContact N-OE1 3.14Å; S33-E60 PolarHBondContact N-OE2 3.26Å; S33-E60 PolarHBondContact OG-OE2 3.4Å; F56-E60 HydrophobicContact CD1-CB 4.34Å; F56-E60 HydrophobicContact CE1-CB 3.94Å; F56-E60 HydrophobicContact CE1-CG 3.9Å; F56-E60 HydrophobicContact CE2-CB 4.15Å; F56-E60 HydrophobicContact CE2-CG 4.24Å; F56-E60 HydrophobicContact CZ-CB 3.84Å; F56-E60 HydrophobicContact CZ-CG 3.6Å; F56-E60 WeakPolarHBondContact O-CB 3.44Å; F56-E60 PolarHBondContact O-N 3.43Å; L57-E60 PolarHBondContact O-N 2.91Å; E60-V63 PolarHBondContact O-N 3.07Å; E60-R64 HydrophobicContact CG-CG 4.5Å; E60-R64 WeakPolarHBondContact O-CG 3.23Å; E60-R64 PolarHBondContact O-N 3.4Å; E60-R64 IonicContact OE1-CZ 3.27Å; E60-R64 IonicContact OE1-NE 3.61Å; E60-R64 PolarHBondContact OE1-NE 3.06Å; E60-R64 IonicContact OE1-NH2 3.42Å; E60-R64 PolarHBondContact OE1-NH2 3.46Å; E60-L172 HydrophobicContact CG-CD1 3.88Å
61L98.4Very high97Very high2 Ų225.9 Ų25.91%0.0112%0.124CC..Hα-helixtrans-64.9-47.2-179.4-67.6173.5000112.1L57 V63 R64 L65 L99 L120 T169 L172 M173L57-L61 HydrophobicContact CB-CD1 4.22Å; L57-L61 HydrophobicContact CB-CG 4.44Å; L57-L61 HydrophobicContact CD2-CG 4.3Å; L57-L61 WeakPolarHBondContact O-CB 3.45Å; L57-L61 PolarHBondContact O-N 2.88Å; L61-V63 VanDerWaalsContact C-N 3.31Å; L61-V63 PolarHBondContact O-N 3.43Å; L61-R64 PolarHBondContact O-N 3.34Å; L61-L65 VanDerWaalsContact O-CG 3.32Å; L61-L65 WeakPolarHBondContact O-CG 3.25Å; L61-L65 PolarHBondContact O-N 3.18Å; L61-L99 HydrophobicContact CB-CD1 3.79Å; L61-L99 HydrophobicContact CD1-CD1 4.39Å; L61-L99 HydrophobicContact CD1-CD2 4.23Å; L61-L120 HydrophobicContact CD1-CD2 3.58Å; L61-T169 HydrophobicContact CD2-CG2 4.23Å; L61-L172 HydrophobicContact CD2-CB 4.17Å; L61-L172 HydrophobicContact CD2-CD1 4.2Å; L61-M173 HydrophobicContact CD1-CG 3.96Å; L61-M173 HydrophobicContact CD2-CG 4.18Å
62P98.1Very high97.1Very high0 Ų020.2 Ų20.20%010%0.103CC..Hα-helixtrans-53.8-42.4170.6-31.237.8000114.2F27 R58 Q59 L65 A66 L96 L99F27-P62 HydrophobicContact CD1-CB 3.75Å; F27-P62 HydrophobicContact CD2-CB 4.01Å; F27-P62 HydrophobicContact CE1-CB 3.86Å; F27-P62 HydrophobicContact CE2-CB 4.14Å; F27-P62 HydrophobicContact CG-CB 3.84Å; F27-P62 HydrophobicContact CZ-CB 4.07Å; R58-P62 WeakPolarHBondContact O-CG 3.48Å; Q59-P62 WeakPolarHBondContact O-CD 3.28Å; P62-L65 PolarHBondContact O-N 2.86Å; P62-A66 WeakPolarHBondContact O-CB 3.37Å; P62-A66 PolarHBondContact O-N 3.31Å; P62-L96 HydrophobicContact CB-CD1 3.67Å; P62-L96 HydrophobicContact CG-CD1 4.45Å; P62-L99 HydrophobicContact CG-CB 4.11Å
63V98.4Very high97Very high9 Ų918 Ų186%0.0559%0.088CC..Hα-helixtrans-60.4-50.4177.7171.40000111.2F27 Y30 P32 Q59 E60 L61 L65 A66 N67F27-V63 HydrophobicContact CD1-CG2 3.93Å; Y30-V63 HydrophobicContact CD2-CG2 4.1Å; Y30-V63 HydrophobicContact CG-CG2 4.31Å; Y30-V63 WeakPolarHBondContact O-CG1 3.19Å; P32-V63 HydrophobicContact CG-CG1 4.27Å; Q59-V63 WeakPolarHBondContact O-CG2 3.22Å; Q59-V63 PolarHBondContact O-N 2.88Å; E60-V63 PolarHBondContact O-N 3.07Å; L61-V63 VanDerWaalsContact C-N 3.31Å; L61-V63 PolarHBondContact O-N 3.43Å; V63-L65 PolarHBondContact O-N 2.87Å; V63-A66 PolarHBondContact O-N 3.34Å; V63-N67 WeakPolarHBondContact O-CB 3.49Å; V63-N67 PolarHBondContact O-N 2.9Å; V63-N67 PolarHBondContact O-ND2 3.11Å
64R98.5Very high96.8Very high0 Ų019.2 Ų19.20%09%0.093CC..Hα-helixtrans-62.6-41.7179.1-71-173.8-171.9-1616.1112.5P32 S33 E60 L61 I68 N165 S168 T169 E373P32-R64 HydrophobicContact CB-CG 4.1Å; P32-R64 HydrophobicContact CG-CG 4.4Å; S33-R64 PolarHBondContact O-NH2 3.32Å; E60-R64 HydrophobicContact CG-CG 4.5Å; E60-R64 WeakPolarHBondContact O-CG 3.23Å; E60-R64 PolarHBondContact O-N 3.4Å; E60-R64 IonicContact OE1-CZ 3.27Å; E60-R64 IonicContact OE1-NE 3.61Å; E60-R64 PolarHBondContact OE1-NE 3.06Å; E60-R64 IonicContact OE1-NH2 3.42Å; E60-R64 PolarHBondContact OE1-NH2 3.46Å; L61-R64 PolarHBondContact O-N 3.34Å; R64-I68 PolarHBondContact O-N 2.83Å; R64-N165 WeakPolarHBondContact CB-OD1 3.22Å; R64-N165 PolarHBondContact O-ND2 3.4Å; R64-N165 PolarHBondContact O-OD1 2.94Å; R64-S168 PolarHBondContact NH1-OG 2.81Å; R64-S168 VanDerWaalsContact NH1-OG 3.07Å; R64-T169 HydrophobicContact CB-CG2 3.79Å; R64-E373 IonicContact CZ-OE1 3.44Å; R64-E373 IonicContact CZ-OE2 3.95Å; R64-E373 IonicContact NH1-OE1 2.87Å; R64-E373 PolarHBondContact NH1-OE1 2.88Å; R64-E373 IonicContact NH1-OE2 3.58Å; R64-E373 IonicContact NH2-OE1 2.73Å; R64-E373 PolarHBondContact NH2-OE1 3.37Å; R64-E373 IonicContact NH2-OE2 2.91Å; R64-E373 PolarHBondContact NH2-OE2 3.14Å
65L98.2Very high96.6Very high4 Ų419.7 Ų19.72%0.02110%0.096CC..Hα-helixtrans-68.4-41.9177.5-66.5179.2000112.1L61 P62 V63 I68 L69 Y92 L96 L99 T169L61-L65 VanDerWaalsContact O-CG 3.32Å; L61-L65 WeakPolarHBondContact O-CG 3.25Å; L61-L65 PolarHBondContact O-N 3.18Å; P62-L65 PolarHBondContact O-N 2.86Å; V63-L65 PolarHBondContact O-N 2.87Å; L65-I68 WeakPolarHBondContact O-CG2 3.36Å; L65-I68 PolarHBondContact O-N 2.85Å; L65-L69 WeakPolarHBondContact O-CB 3.43Å; L65-L69 WeakPolarHBondContact O-CG 3.36Å; L65-L69 PolarHBondContact O-N 3.13Å; L65-Y92 HydrophobicContact CD2-CD1 3.57Å; L65-Y92 HydrophobicContact CD2-CE1 3.65Å; L65-L96 HydrophobicContact CD1-CB 4.45Å; L65-L99 HydrophobicContact CD1-CD1 3.64Å; L65-T169 HydrophobicContact CD2-CG2 4.34Å
66A97.8Very high96.3Very high0 Ų020.3 Ų20.30%010%0.097CC..Hα-helixtrans-67.7-40.5-179.500000112.5F27 P62 V63 I68 L69 R70F27-A66 HydrophobicContact CB-CB 3.43Å; F27-A66 VanDerWaalsContact CB-CB 3.43Å; P62-A66 WeakPolarHBondContact O-CB 3.37Å; P62-A66 PolarHBondContact O-N 3.31Å; V63-A66 PolarHBondContact O-N 3.34Å; A66-I68 VanDerWaalsContact C-N 3.33Å; A66-I68 PolarHBondContact O-N 2.85Å; A66-L69 PolarHBondContact O-N 2.89Å; A66-R70 WeakPolarHBondContact O-CG 3.43Å; A66-R70 PolarHBondContact O-N 3.31Å
67N97.8Very high96Very high2 Ų221.7 Ų21.71%0.01111%0.11CC..Hα-helixtrans-55.3-47.9175.6-90.2-101.1000111.2Y30 V63 R70 E71 F378Y30-N67 PolarHBondContact O-ND2 3.01Å; V63-N67 WeakPolarHBondContact O-CB 3.49Å; V63-N67 PolarHBondContact O-N 2.9Å; V63-N67 PolarHBondContact O-ND2 3.11Å; N67-R70 PolarHBondContact O-N 3.48Å; N67-E71 PolarHBondContact O-N 2.84Å; N67-F378 HydrophobicContact CB-CB 4.16Å; N67-F378 WeakPolarHBondContact OD1-CB 3.4Å; N67-F378 PolarHBondContact OD1-N 3.36Å
68I97.6Very high95.6Very high2 Ų226.9 Ų26.91%0.0113%0.134CC..Hα-helixtrans-75.2-32.2-179.6-159.464.7000113.3R64 L65 A66 R70 E71 I72 Y92 F158 F162 N165R64-I68 PolarHBondContact O-N 2.83Å; L65-I68 WeakPolarHBondContact O-CG2 3.36Å; L65-I68 PolarHBondContact O-N 2.85Å; A66-I68 VanDerWaalsContact C-N 3.33Å; A66-I68 PolarHBondContact O-N 2.85Å; I68-R70 PolarHBondContact O-N 2.94Å; I68-E71 HydrophobicContact CD1-CB 4.22Å; I68-E71 PolarHBondContact O-N 3.01Å; I68-E71 VanDerWaalsContact O-N 3.1Å; I68-I72 WeakPolarHBondContact O-CG1 3.04Å; I68-I72 PolarHBondContact O-N 2.94Å; I68-Y92 HydrophobicContact CG2-CD1 3.9Å; I68-Y92 HydrophobicContact CG2-CE1 3.73Å; I68-F158 HydrophobicContact CD1-CE2 4.31Å; I68-F162 VanDerWaalsContact CD1-CA 3.49Å; I68-F162 HydrophobicContact CD1-CB 4.01Å; I68-F162 HydrophobicContact CD1-CD2 4.28Å; I68-F162 HydrophobicContact CG1-CB 4.26Å; I68-F162 HydrophobicContact CG1-CD2 3.61Å; I68-F162 HydrophobicContact CG1-CE2 4.46Å; I68-F162 HydrophobicContact CG1-CG 4.4Å; I68-N165 HydrophobicContact CB-CB 4.42Å; I68-N165 WeakPolarHBondContact CB-ND2 3.21Å; I68-N165 WeakPolarHBondContact CG2-ND2 3.49Å
69L97Very high95.4Very high2 Ų225.4 Ų25.41%0.0113%0.129CC..Hα-helixtrans-59.9-37.3173.8-83.8168.2000111.5V24 L65 A66 E71 I72 D73 K89 I93 L96V24-L69 HydrophobicContact CG1-CB 3.93Å; V24-L69 HydrophobicContact CG2-CD1 3.89Å; L65-L69 WeakPolarHBondContact O-CB 3.43Å; L65-L69 WeakPolarHBondContact O-CG 3.36Å; L65-L69 PolarHBondContact O-N 3.13Å; A66-L69 PolarHBondContact O-N 2.89Å; L69-E71 VanDerWaalsContact C-N 3.33Å; L69-E71 PolarHBondContact O-N 3.23Å; L69-I72 HydrophobicContact CD2-CD1 4.4Å; L69-I72 PolarHBondContact O-N 3.12Å; L69-D73 PolarHBondContact O-N 3.42Å; L69-D73 VanDerWaalsContact O-N 3.09Å; L69-K89 HydrophobicContact CD2-CG 4.21Å; L69-I93 HydrophobicContact CD1-CG1 4.28Å; L69-I93 HydrophobicContact CD2-CG1 3.98Å; L69-L96 HydrophobicContact CD1-CD2 4.08Å
70R95.5Very high95.2Very high68 Ų6821.4 Ų21.426%0.25711%0.111SC..Hα-helixtrans-64.4-36173.5-70.4-57.4-61.1152.6-5.4113.3V24 S28 A66 N67 I68 D73 F378V24-R70 HydrophobicContact CG1-CG 4.07Å; S28-R70 WeakPolarHBondContact OG-CG 3.28Å; A66-R70 WeakPolarHBondContact O-CG 3.43Å; A66-R70 PolarHBondContact O-N 3.31Å; N67-R70 PolarHBondContact O-N 3.48Å; I68-R70 PolarHBondContact O-N 2.94Å; R70-D73 IonicContact NH1-OD2 3.55Å; R70-D73 PolarHBondContact NH1-OD2 3.4Å; R70-D73 PolarHBondContact O-N 3.17Å; R70-F378 HydrophobicContact CB-CD1 3.68Å; R70-F378 HydrophobicContact CB-CD2 4.09Å; R70-F378 HydrophobicContact CB-CE1 3.7Å; R70-F378 HydrophobicContact CB-CE2 4.11Å; R70-F378 HydrophobicContact CB-CG 3.88Å; R70-F378 HydrophobicContact CB-CZ 3.92Å; R70-F378 HydrophobicContact CG-CD1 4.03Å; R70-F378 HydrophobicContact CG-CE1 4.04Å
71E95.7Very high95Very high0 Ų026.1 Ų26.10%014%0.136CC..Hα-helixtrans-70-34.5174.7-69.1-178-139.800112N67 I68 L69 D73 I74 F158 R161 F378 Y386N67-E71 PolarHBondContact O-N 2.84Å; I68-E71 HydrophobicContact CD1-CB 4.22Å; I68-E71 PolarHBondContact O-N 3.01Å; I68-E71 VanDerWaalsContact O-N 3.1Å; L69-E71 VanDerWaalsContact C-N 3.33Å; L69-E71 PolarHBondContact O-N 3.23Å; E71-D73 VanDerWaalsContact C-N 3.32Å; E71-D73 PolarHBondContact O-N 3.29Å; E71-I74 WeakPolarHBondContact O-CG1 3.33Å; E71-I74 PolarHBondContact O-N 3.43Å; E71-F158 HydrophobicContact CB-CD2 4.16Å; E71-F158 HydrophobicContact CB-CE2 4.29Å; E71-R161 VanDerWaalsContact CD-NE 3.33Å; E71-R161 IonicContact OE1-CZ 3.45Å; E71-R161 IonicContact OE1-NE 3.49Å; E71-R161 PolarHBondContact OE1-NE 3.31Å; E71-R161 VanDerWaalsContact OE1-NE 3.14Å; E71-R161 IonicContact OE1-NH2 3.34Å; E71-R161 PolarHBondContact OE1-NH2 3.24Å; E71-R161 WeakPolarHBondContact OE2-CD 3.34Å; E71-R161 IonicContact OE2-CZ 3.64Å; E71-R161 IonicContact OE2-NE 3.4Å; E71-R161 PolarHBondContact OE2-NE 3.05Å; E71-R161 IonicContact OE2-NH2 2.75Å; E71-F378 HydrophobicContact CG-CD2 3.61Å; E71-F378 HydrophobicContact CG-CE2 4.27Å; E71-F378 HydrophobicContact CG-CG 4.48Å; E71-Y386 HydrophobicContact CG-CE2 4.28Å; E71-Y386 PolarHBondContact OE2-OH 3.12Å
72I95.1Very high94.8Very high0 Ų026.7 Ų26.70%014%0.14CC..Hα-helixtrans-63-40.3172.8-65.8168.1000110.9I68 L69 I74 L75 I80 V85 K89 F158 F162I68-I72 WeakPolarHBondContact O-CG1 3.04Å; I68-I72 PolarHBondContact O-N 2.94Å; L69-I72 HydrophobicContact CD2-CD1 4.4Å; L69-I72 PolarHBondContact O-N 3.12Å; I72-I74 PolarHBondContact O-N 3.41Å; I72-L75 WeakPolarHBondContact O-CB 3.36Å; I72-L75 PolarHBondContact O-N 3.42Å; I72-I80 VanDerWaalsContact O-CD1 3.24Å; I72-I80 WeakPolarHBondContact O-CD1 3.47Å; I72-V85 HydrophobicContact CG2-CG1 4.45Å; I72-K89 HydrophobicContact CG2-CB 4.47Å; I72-K89 HydrophobicContact CG2-CD 4.2Å; I72-K89 HydrophobicContact CG2-CG 4.34Å; I72-F158 HydrophobicContact CG1-CE2 3.7Å; I72-F158 HydrophobicContact CG1-CZ 3.67Å; I72-F162 HydrophobicContact CD1-CD2 4.38Å; I72-F162 HydrophobicContact CD1-CE2 4.09Å
73D92.5Very high94.7Very high35 Ų3530.7 Ų30.719%0.18717%0.168CC..Hα-helixtrans-65-19.7-178.2-73.7-27.2000114.3V20 L69 R70 E71 K89V20-D73 WeakPolarHBondContact CG2-OD2 3.36Å; L69-D73 PolarHBondContact O-N 3.42Å; L69-D73 VanDerWaalsContact O-N 3.09Å; R70-D73 IonicContact NH1-OD2 3.55Å; R70-D73 PolarHBondContact NH1-OD2 3.4Å; R70-D73 PolarHBondContact O-N 3.17Å; E71-D73 VanDerWaalsContact C-N 3.32Å; E71-D73 PolarHBondContact O-N 3.29Å; D73-K89 WeakPolarHBondContact OD1-CE 3.34Å; D73-K89 IonicContact OD1-NZ 3.26Å; D73-K89 PolarHBondContact OD1-NZ 2.75Å
74I92.1Very high94.6Very high41 Ų4130.9 Ų30.921%0.2117%0.169CC..THydrogen-bonded Turntrans-104.94.7-177.463.5176.7000113.2E71 I72 F378 F383 Y386E71-I74 WeakPolarHBondContact O-CG1 3.33Å; E71-I74 PolarHBondContact O-N 3.43Å; I72-I74 PolarHBondContact O-N 3.41Å; I74-F378 HydrophobicContact CD1-CE2 3.91Å; I74-F383 HydrophobicContact CD1-CD2 3.97Å; I74-F383 HydrophobicContact CG2-CD2 4.35Å; I74-F383 HydrophobicContact CG2-CE2 4.11Å; I74-Y386 HydrophobicContact CD1-CD1 4.39Å; I74-Y386 HydrophobicContact CD1-CD2 3.19Å; I74-Y386 HydrophobicContact CD1-CE2 3.58Å; I74-Y386 HydrophobicContact CD1-CG 3.65Å; I74-Y386 HydrophobicContact CG1-CD1 4.42Å; I74-Y386 HydrophobicContact CG1-CD2 4.04Å; I74-Y386 HydrophobicContact CG1-CE2 4.32Å; I74-Y386 HydrophobicContact CG1-CG 4.08Å
75L92.3Very high94.5Very high10 Ų1030.9 Ų30.95%0.05217%0.169CC..SBendtrans-66162.1169.9-67.9177.1000111.3I72 T77 L79 I80 F158 Y386I72-L75 WeakPolarHBondContact O-CB 3.36Å; I72-L75 PolarHBondContact O-N 3.42Å; L75-T77 PolarHBondContact O-N 2.89Å; L75-L79 HydrophobicContact CB-CD2 4.38Å; L75-L79 HydrophobicContact CD1-CD2 4.06Å; L75-I80 HydrophobicContact CB-CD1 4.06Å; L75-I80 HydrophobicContact CB-CG1 3.77Å; L75-I80 WeakPolarHBondContact O-CD1 3.35Å; L75-F158 HydrophobicContact CD1-CD1 3.92Å; L75-F158 HydrophobicContact CD1-CD2 4.26Å; L75-F158 HydrophobicContact CD1-CE1 3.69Å; L75-F158 HydrophobicContact CD1-CE2 4.05Å; L75-F158 HydrophobicContact CD1-CG 4.21Å; L75-F158 HydrophobicContact CD1-CZ 3.77Å; L75-F158 HydrophobicContact CD2-CB 3.95Å; L75-F158 HydrophobicContact CD2-CD1 4Å; L75-F158 HydrophobicContact CD2-CD2 4.05Å; L75-F158 HydrophobicContact CD2-CG 3.71Å; L75-F158 HydrophobicContact CG-CD2 4.42Å; L75-F158 HydrophobicContact CG-CG 4.43Å; L75-Y386 HydrophobicContact CD2-CE1 4.12Å
76P91Very high94.4Very high43 Ų4334.4 Ų34.428%0.27919%0.186SC..  trans-54.3134.4174.6-2634.6000112Q78 L79 I80 T151P76-Q78 PolarHBondContact O-N 3Å; P76-Q78 VanDerWaalsContact O-N 3.14Å; P76-L79 HydrophobicContact CB-CB 4.42Å; P76-L79 WeakPolarHBondContact O-CA 3.33Å; P76-L79 WeakPolarHBondContact O-CB 3.43Å; P76-L79 PolarHBondContact O-N 3.28Å; P76-I80 PolarHBondContact O-N 2.91Å; P76-T151 HydrophobicContact CG-CG2 4.05Å
77T90.3Very high94.4Very high90 Ų9038 Ų3855%0.55220%0.204SC*.Hα-helixtrans-55.7-36.5-175.4-52.90000112.8L75 L79 I80 N81L75-T77 PolarHBondContact O-N 2.89Å; T77-L79 VanDerWaalsContact C-N 3.34Å; T77-L79 PolarHBondContact O-N 2.74Å; T77-I80 PolarHBondContact O-N 3.22Å; T77-N81 VanDerWaalsContact O-CB 3.3Å; T77-N81 WeakPolarHBondContact O-CB 3.37Å; T77-N81 PolarHBondContact O-N 3.48Å; T77-N81 PolarHBondContact O-ND2 2.95Å
78Q90.6Very high94.4Very high113 Ų11337.9 Ų37.953%0.52820%0.204SC..Hα-helixtrans-62.4-40.5176.1-63.485.2-1000111.9P76 Y141P76-Q78 PolarHBondContact O-N 3Å; P76-Q78 VanDerWaalsContact O-N 3.14Å; Q78-Y141 HydrophobicContact CB-CD2 4.05Å; Q78-Y141 HydrophobicContact CB-CE2 3.65Å
79L91.3Very high94.4Very high2 Ų239.3 Ų39.31%0.0121%0.21CC..Hα-helixtrans-70.3-45.5175.9174.159.4000110.8L75 P76 T77 N81 T82 V85 I138 Y141 L155L75-L79 HydrophobicContact CB-CD2 4.38Å; L75-L79 HydrophobicContact CD1-CD2 4.06Å; P76-L79 HydrophobicContact CB-CB 4.42Å; P76-L79 WeakPolarHBondContact O-CA 3.33Å; P76-L79 WeakPolarHBondContact O-CB 3.43Å; P76-L79 PolarHBondContact O-N 3.28Å; T77-L79 VanDerWaalsContact C-N 3.34Å; T77-L79 PolarHBondContact O-N 2.74Å; L79-N81 PolarHBondContact O-N 2.64Å; L79-T82 HydrophobicContact CD1-CG2 4.49Å; L79-T82 WeakPolarHBondContact O-CB 3.31Å; L79-T82 WeakPolarHBondContact O-CG2 3.41Å; L79-T82 PolarHBondContact O-N 2.94Å; L79-T82 VanDerWaalsContact O-N 3.11Å; L79-T82 PolarHBondContact O-OG1 3.22Å; L79-V85 HydrophobicContact CD1-CG2 3.86Å; L79-V85 HydrophobicContact CG-CG2 4.34Å; L79-I138 HydrophobicContact CD1-CD1 3.66Å; L79-I138 HydrophobicContact CD2-CD1 4.15Å; L79-Y141 HydrophobicContact CB-CD1 4.18Å; L79-Y141 HydrophobicContact CB-CD2 3.87Å; L79-Y141 HydrophobicContact CB-CE1 4.42Å; L79-Y141 HydrophobicContact CB-CE2 4.18Å; L79-Y141 HydrophobicContact CB-CG 3.88Å; L79-Y141 HydrophobicContact CD1-CD1 4.13Å; L79-Y141 HydrophobicContact CD1-CG 3.85Å; L79-Y141 HydrophobicContact CG-CG 4.4Å; L79-L155 HydrophobicContact CD2-CD1 3.89Å
80I92.8Very high94.4Very high18 Ų1841.9 Ų41.99%0.09223%0.228CC..Hα-helixtrans-56.7-39.3177-67.4176.4000110.6I72 L75 P76 T77 T82 Q86I72-I80 VanDerWaalsContact O-CD1 3.24Å; I72-I80 WeakPolarHBondContact O-CD1 3.47Å; L75-I80 HydrophobicContact CB-CD1 4.06Å; L75-I80 HydrophobicContact CB-CG1 3.77Å; L75-I80 WeakPolarHBondContact O-CD1 3.35Å; P76-I80 PolarHBondContact O-N 2.91Å; T77-I80 PolarHBondContact O-N 3.22Å; I80-T82 VanDerWaalsContact C-N 3.26Å; I80-T82 PolarHBondContact O-N 3.14Å; I80-Q86 VanDerWaalsContact CG2-NE2 3.29Å; I80-Q86 WeakPolarHBondContact O-CG 3.49Å; I80-Q86 PolarHBondContact O-NE2 2.8Å
81N93.6Very high94.5Very high107 Ų10741 Ų4157%0.57223%0.225SC*.THydrogen-bonded Turntrans-77.5-4.6-177.3-70.3-17.9000114.5T77 L79T77-N81 VanDerWaalsContact O-CB 3.3Å; T77-N81 WeakPolarHBondContact O-CB 3.37Å; T77-N81 PolarHBondContact O-N 3.48Å; T77-N81 PolarHBondContact O-ND2 2.95Å; L79-N81 PolarHBondContact O-N 2.64Å
82T94.9Very high94.7Very high14 Ų1441 Ų419%0.08623%0.225CC..SBendtrans-62.1143.2171.163.60000110.2L79 I80 S84 V85 Q86 E140L79-T82 HydrophobicContact CD1-CG2 4.49Å; L79-T82 WeakPolarHBondContact O-CB 3.31Å; L79-T82 WeakPolarHBondContact O-CG2 3.41Å; L79-T82 PolarHBondContact O-N 2.94Å; L79-T82 VanDerWaalsContact O-N 3.11Å; L79-T82 PolarHBondContact O-OG1 3.22Å; I80-T82 VanDerWaalsContact C-N 3.26Å; I80-T82 PolarHBondContact O-N 3.14Å; T82-S84 PolarHBondContact O-N 3.21Å; T82-V85 PolarHBondContact O-N 2.86Å; T82-V85 VanDerWaalsContact OG1-CB 3.26Å; T82-V85 WeakPolarHBondContact OG1-CB 3.38Å; T82-V85 WeakPolarHBondContact OG1-CG2 3.43Å; T82-V85 PolarHBondContact OG1-N 2.84Å; T82-Q86 PolarHBondContact O-N 2.96Å; T82-Q86 VanDerWaalsContact O-N 3.08Å; T82-E140 WeakPolarHBondContact CB-OE2 3.25Å; T82-E140 HydrophobicContact CG2-CB 3.87Å
83S95.9Very high94.8Very high84 Ų8443.2 Ų43.259%0.58724%0.236SC*.Hα-helixtrans-61-39.3-17464.40000111.4L87 E140S83-L87 WeakPolarHBondContact O-CB 3.4Å; S83-L87 PolarHBondContact O-N 2.87Å; S83-E140 PolarHBondContact N-OE2 2.82Å; S83-E140 PolarHBondContact OG-OE1 3.04Å; S83-E140 PolarHBondContact OG-OE2 2.78Å
84S95.9Very high95Very high13 Ų1346 Ų469%0.09125%0.248CC..Hα-helixtrans-68.6-41.6179-72.30000113.4T82 L87 V88 T133 G137 E140T82-S84 PolarHBondContact O-N 3.21Å; S84-L87 PolarHBondContact O-N 2.88Å; S84-V88 WeakPolarHBondContact O-CG2 3.49Å; S84-V88 PolarHBondContact O-N 2.81Å; S84-T133 VanDerWaalsContact CB-O 3.29Å; S84-T133 WeakPolarHBondContact CB-O 3.46Å; S84-G137 VanDerWaalsContact CB-CA 3.48Å; S84-E140 VanDerWaalsContact CB-OE1 3.31Å; S84-E140 WeakPolarHBondContact CB-OE1 3.46Å; S84-E140 PolarHBondContact N-OE2 3.15Å; S84-E140 PolarHBondContact OG-OE1 3.42Å
85V96.3Very high95.3Very high0 Ų044.1 Ų44.10%024%0.238CC..Hα-helixtrans-68.7-39.6177.4174.20000111I72 L79 T82 L87 V88 K89 M134I72-V85 HydrophobicContact CG2-CG1 4.45Å; L79-V85 HydrophobicContact CD1-CG2 3.86Å; L79-V85 HydrophobicContact CG-CG2 4.34Å; T82-V85 PolarHBondContact O-N 2.86Å; T82-V85 VanDerWaalsContact OG1-CB 3.26Å; T82-V85 WeakPolarHBondContact OG1-CB 3.38Å; T82-V85 WeakPolarHBondContact OG1-CG2 3.43Å; T82-V85 PolarHBondContact OG1-N 2.84Å; V85-L87 VanDerWaalsContact C-N 3.31Å; V85-L87 PolarHBondContact O-N 2.83Å; V85-V88 PolarHBondContact O-N 2.8Å; V85-K89 WeakPolarHBondContact O-CB 3.39Å; V85-K89 PolarHBondContact O-N 2.89Å; V85-M134 HydrophobicContact CG2-SD 3.99Å
86Q97.1Very high95.5Very high79 Ų7943.6 Ų43.637%0.36924%0.236SC..Hα-helixtrans-59.5-42.1172.9-72.9-62.5-41.700112I80 T82 K89 S90I80-Q86 VanDerWaalsContact CG2-NE2 3.29Å; I80-Q86 WeakPolarHBondContact O-CG 3.49Å; I80-Q86 PolarHBondContact O-NE2 2.8Å; T82-Q86 PolarHBondContact O-N 2.96Å; T82-Q86 VanDerWaalsContact O-N 3.08Å; Q86-K89 PolarHBondContact O-N 3.4Å; Q86-S90 WeakPolarHBondContact O-CB 3.45Å; Q86-S90 PolarHBondContact O-N 3.2Å
87L97.4Very high95.8Very high74 Ų7444 Ų4439%0.38724%0.235SC..Hα-helixtrans-61.9-48176.8-17859.1000111.5S83 S84 V85 K89 S90 W91 T133S83-L87 WeakPolarHBondContact O-CB 3.4Å; S83-L87 PolarHBondContact O-N 2.87Å; S84-L87 PolarHBondContact O-N 2.88Å; V85-L87 VanDerWaalsContact C-N 3.31Å; V85-L87 PolarHBondContact O-N 2.83Å; L87-K89 VanDerWaalsContact C-N 3.35Å; L87-K89 PolarHBondContact O-N 2.92Å; L87-S90 PolarHBondContact O-N 3.17Å; L87-S90 PolarHBondContact O-OG 3.19Å; L87-W91 HydrophobicContact CD1-CZ2 3.81Å; L87-W91 HydrophobicContact CD2-CH2 3.87Å; L87-W91 HydrophobicContact CD2-CZ2 3.56Å; L87-W91 HydrophobicContact CG-CD2 4.35Å; L87-W91 HydrophobicContact CG-CH2 3.92Å; L87-W91 HydrophobicContact CG-CZ2 3.46Å; L87-W91 VanDerWaalsContact CG-CZ2 3.46Å; L87-W91 PolarHBondContact O-N 3.2Å; L87-W91 VanDerWaalsContact O-N 3.09Å; L87-T133 HydrophobicContact CD2-CG2 4.1Å
88V97.9Very high96.1Very high0 Ų040.2 Ų40.20%021%0.211CC..Hα-helixtrans-60.4-45176.2174.80000111.1S84 V85 S90 W91 Y92 V130 T133 M134 F162S84-V88 WeakPolarHBondContact O-CG2 3.49Å; S84-V88 PolarHBondContact O-N 2.81Å; V85-V88 PolarHBondContact O-N 2.8Å; V88-S90 VanDerWaalsContact C-N 3.3Å; V88-S90 PolarHBondContact O-N 2.89Å; V88-W91 HydrophobicContact CG2-CE3 4.19Å; V88-W91 HydrophobicContact CG2-CZ3 4.06Å; V88-W91 WeakPolarHBondContact O-CB 3.36Å; V88-W91 PolarHBondContact O-N 2.94Å; V88-W91 VanDerWaalsContact O-N 3.16Å; V88-Y92 HydrophobicContact CG1-CD2 3.92Å; V88-Y92 HydrophobicContact CG1-CE2 3.87Å; V88-Y92 WeakPolarHBondContact O-CD2 3.28Å; V88-Y92 PolarHBondContact O-N 3.45Å; V88-Y92 VanDerWaalsContact O-N 3.12Å; V88-V130 HydrophobicContact CG1-CG1 4.22Å; V88-T133 HydrophobicContact CG2-CG2 3.73Å; V88-M134 HydrophobicContact CB-CE 4.11Å; V88-M134 HydrophobicContact CG1-CE 3.79Å; V88-M134 HydrophobicContact CG2-CB 4.43Å; V88-M134 HydrophobicContact CG2-CE 4.39Å; V88-F162 HydrophobicContact CG1-CE2 4.25Å; V88-F162 HydrophobicContact CG1-CZ 3.76Å
89K97.2Very high96.4Very high33 Ų3334.9 Ų34.914%0.14319%0.186CC..Hα-helixtrans-58-43.8176.8-173179-175.8173.10111.5L69 I72 D73 V85 Q86 L87 W91 Y92 I93L69-K89 HydrophobicContact CD2-CG 4.21Å; I72-K89 HydrophobicContact CG2-CB 4.47Å; I72-K89 HydrophobicContact CG2-CD 4.2Å; I72-K89 HydrophobicContact CG2-CG 4.34Å; D73-K89 WeakPolarHBondContact OD1-CE 3.34Å; D73-K89 IonicContact OD1-NZ 3.26Å; D73-K89 PolarHBondContact OD1-NZ 2.75Å; V85-K89 WeakPolarHBondContact O-CB 3.39Å; V85-K89 PolarHBondContact O-N 2.89Å; Q86-K89 PolarHBondContact O-N 3.4Å; L87-K89 VanDerWaalsContact C-N 3.35Å; L87-K89 PolarHBondContact O-N 2.92Å; K89-W91 VanDerWaalsContact C-N 3.31Å; K89-W91 PolarHBondContact O-N 3.2Å; K89-Y92 PolarHBondContact O-N 2.83Å; K89-I93 HydrophobicContact CG-CD1 3.98Å; K89-I93 WeakPolarHBondContact O-CG1 3.46Å; K89-I93 PolarHBondContact O-N 2.99Å
90S97.3Very high96.6Very high56 Ų5636.5 Ų36.539%0.39220%0.196SC..Hα-helixtrans-60.5-39.3177.481.40000112.4Q86 L87 V88 I93 Q94Q86-S90 WeakPolarHBondContact O-CB 3.45Å; Q86-S90 PolarHBondContact O-N 3.2Å; L87-S90 PolarHBondContact O-N 3.17Å; L87-S90 PolarHBondContact O-OG 3.19Å; V88-S90 VanDerWaalsContact C-N 3.3Å; V88-S90 PolarHBondContact O-N 2.89Å; S90-I93 PolarHBondContact O-N 3.44Å; S90-Q94 WeakPolarHBondContact O-CB 3.28Å; S90-Q94 PolarHBondContact O-N 3.18Å
91W98.4Very high96.7Very high50 Ų5041.9 Ų41.919%0.18922%0.221CC..Hα-helixtrans-65.1-44.1177.2-65.6-22.8000112.3L87 V88 K89 Q94 S95 R126 N129 V130 T133L87-W91 HydrophobicContact CD1-CZ2 3.81Å; L87-W91 HydrophobicContact CD2-CH2 3.87Å; L87-W91 HydrophobicContact CD2-CZ2 3.56Å; L87-W91 HydrophobicContact CG-CD2 4.35Å; L87-W91 HydrophobicContact CG-CH2 3.92Å; L87-W91 HydrophobicContact CG-CZ2 3.46Å; L87-W91 VanDerWaalsContact CG-CZ2 3.46Å; L87-W91 PolarHBondContact O-N 3.2Å; L87-W91 VanDerWaalsContact O-N 3.09Å; V88-W91 HydrophobicContact CG2-CE3 4.19Å; V88-W91 HydrophobicContact CG2-CZ3 4.06Å; V88-W91 WeakPolarHBondContact O-CB 3.36Å; V88-W91 PolarHBondContact O-N 2.94Å; V88-W91 VanDerWaalsContact O-N 3.16Å; K89-W91 VanDerWaalsContact C-N 3.31Å; K89-W91 PolarHBondContact O-N 3.2Å; W91-Q94 PolarHBondContact O-N 3.01Å; W91-S95 WeakPolarHBondContact O-CB 3.48Å; W91-S95 PolarHBondContact O-N 3.41Å; W91-S95 PolarHBondContact O-OG 2.96Å; W91-R126 HydrophobicContact CB-CG 3.97Å; W91-R126 HydrophobicContact CG-CG 3.9Å; W91-N129 HydrophobicContact CH2-CB 4.3Å; W91-V130 HydrophobicContact CE3-CG2 3.8Å; W91-V130 HydrophobicContact CZ3-CG2 4.12Å; W91-T133 HydrophobicContact CH2-CG2 4.09Å; W91-T133 HydrophobicContact CZ3-CG2 4.17Å
92Y98.3Very high96.9Very high0 Ų037 Ų370%019%0.194CC..Hα-helixtrans-66.4-40.8178-86.9-105.8000112L65 I68 V88 K89 S95 L96 V130 F162L65-Y92 HydrophobicContact CD2-CD1 3.57Å; L65-Y92 HydrophobicContact CD2-CE1 3.65Å; I68-Y92 HydrophobicContact CG2-CD1 3.9Å; I68-Y92 HydrophobicContact CG2-CE1 3.73Å; V88-Y92 HydrophobicContact CG1-CD2 3.92Å; V88-Y92 HydrophobicContact CG1-CE2 3.87Å; V88-Y92 WeakPolarHBondContact O-CD2 3.28Å; V88-Y92 PolarHBondContact O-N 3.45Å; V88-Y92 VanDerWaalsContact O-N 3.12Å; K89-Y92 PolarHBondContact O-N 2.83Å; Y92-S95 PolarHBondContact O-N 3.14Å; Y92-L96 WeakPolarHBondContact O-CB 3.2Å; Y92-L96 PolarHBondContact O-N 3.2Å; Y92-V130 HydrophobicContact CE2-CG1 4.1Å; Y92-V130 HydrophobicContact CE2-CG2 4.1Å; Y92-F162 HydrophobicContact CE1-CE2 4.39Å; Y92-F162 AromaticContact CE2-CE2 3.83Å; Y92-F162 HydrophobicContact CE2-CE2 3.83Å; Y92-F162 AromaticContact CE2-CZ 3.82Å; Y92-F162 HydrophobicContact CE2-CZ 3.82Å; Y92-F162 AromaticContact CZ-CE2 3.69Å; Y92-F162 AromaticContact CZ-CZ 3.92Å
93I97.1Very high96.7Very high46 Ų4638.7 Ų38.724%0.23620%0.201CC..Hα-helixtrans-61.3-48.7174.3-70170.2000110.1P21 L69 K89 S90 S95 L96 M97P21-I93 HydrophobicContact CG-CG2 4.01Å; L69-I93 HydrophobicContact CD1-CG1 4.28Å; L69-I93 HydrophobicContact CD2-CG1 3.98Å; K89-I93 HydrophobicContact CG-CD1 3.98Å; K89-I93 WeakPolarHBondContact O-CG1 3.46Å; K89-I93 PolarHBondContact O-N 2.99Å; S90-I93 PolarHBondContact O-N 3.44Å; I93-S95 VanDerWaalsContact C-N 3.33Å; I93-S95 PolarHBondContact O-N 3.32Å; I93-L96 WeakPolarHBondContact O-CB 3.37Å; I93-L96 PolarHBondContact O-N 2.96Å; I93-M97 HydrophobicContact CG2-CG 4.41Å; I93-M97 WeakPolarHBondContact O-CG 3.37Å; I93-M97 PolarHBondContact O-N 3.34Å
94Q97.5Very high96.5Very high94 Ų9442.7 Ų42.744%0.43921%0.211SC..Hα-helixtrans-61.5-42178.9-17362.959.400111.8S90 W91 L96 M97 D98S90-Q94 WeakPolarHBondContact O-CB 3.28Å; S90-Q94 PolarHBondContact O-N 3.18Å; W91-Q94 PolarHBondContact O-N 3.01Å; Q94-L96 VanDerWaalsContact C-N 3.34Å; Q94-M97 PolarHBondContact O-N 3.49Å; Q94-D98 PolarHBondContact NE2-OD1 3.03Å; Q94-D98 WeakPolarHBondContact O-CB 3.17Å; Q94-D98 VanDerWaalsContact O-CG 3.22Å; Q94-D98 PolarHBondContact O-N 3.01Å
95S98.3Very high96.4Very high0 Ų045.1 Ų45.10%022%0.219CC..Hα-helixtrans-63.6-39176.2-64.20000112.5W91 Y92 I93 L99 R126 H127W91-S95 WeakPolarHBondContact O-CB 3.48Å; W91-S95 PolarHBondContact O-N 3.41Å; W91-S95 PolarHBondContact O-OG 2.96Å; Y92-S95 PolarHBondContact O-N 3.14Å; I93-S95 VanDerWaalsContact C-N 3.33Å; I93-S95 PolarHBondContact O-N 3.32Å; S95-L99 WeakPolarHBondContact O-CB 3.41Å; S95-L99 WeakPolarHBondContact O-CD1 3.43Å; S95-L99 WeakPolarHBondContact O-CG 3.39Å; S95-L99 PolarHBondContact O-N 3.09Å; S95-L99 VanDerWaalsContact O-N 3.14Å; S95-R126 PolarHBondContact OG-NH1 3.42Å; S95-H127 PolarHBondContact OG-NE2 3.35Å
96L97.6Very high96.3Very high0 Ų047.8 Ų47.80%024%0.238CC..Hα-helixtrans-62.7-48.4174.1177.564.5000110.9E23 V24 F27 P62 L65 L69 Y92 I93 Q94 D98 L99 V100E23-L96 HydrophobicContact CB-CD2 4.41Å; V24-L96 HydrophobicContact CB-CD2 4.37Å; V24-L96 HydrophobicContact CG2-CD2 3.43Å; V24-L96 VanDerWaalsContact CG2-CD2 3.43Å; F27-L96 HydrophobicContact CD2-CD1 4.47Å; P62-L96 HydrophobicContact CB-CD1 3.67Å; P62-L96 HydrophobicContact CG-CD1 4.45Å; L65-L96 HydrophobicContact CD1-CB 4.45Å; L69-L96 HydrophobicContact CD1-CD2 4.08Å; Y92-L96 WeakPolarHBondContact O-CB 3.2Å; Y92-L96 PolarHBondContact O-N 3.2Å; I93-L96 WeakPolarHBondContact O-CB 3.37Å; I93-L96 PolarHBondContact O-N 2.96Å; Q94-L96 VanDerWaalsContact C-N 3.34Å; L96-D98 PolarHBondContact O-N 3.49Å; L96-L99 PolarHBondContact O-N 3.4Å; L96-V100 HydrophobicContact CD1-CG2 3.99Å; L96-V100 HydrophobicContact CG-CG2 4.27Å; L96-V100 VanDerWaalsContact O-CG2 3.27Å; L96-V100 WeakPolarHBondContact O-CG2 3.5Å; L96-V100 PolarHBondContact O-N 3.11Å
97M96.2Very high96.1Very high52 Ų5245.5 Ų45.526%0.25623%0.23SC..Hα-helixtrans-60.5-46.9179.4-64-60.3102.200111.6P21 E23 I93 Q94 L99 V100 E101P21-M97 HydrophobicContact CB-CE 3.88Å; P21-M97 HydrophobicContact CG-CE 4.42Å; E23-M97 HydrophobicContact CB-CE 3.77Å; E23-M97 HydrophobicContact CG-CE 3.9Å; I93-M97 HydrophobicContact CG2-CG 4.41Å; I93-M97 WeakPolarHBondContact O-CG 3.37Å; I93-M97 PolarHBondContact O-N 3.34Å; Q94-M97 PolarHBondContact O-N 3.49Å; M97-L99 PolarHBondContact O-N 3.29Å; M97-V100 PolarHBondContact O-N 3.41Å; M97-E101 PolarHBondContact O-N 3.33Å
98D97Very high95.9Very high9 Ų947 Ų475%0.04824%0.239CC..Hα-helixtrans-55.9-38.3176.8-72.71.3000111.5Q94 L96 F102 T119 K122 R126Q94-D98 PolarHBondContact NE2-OD1 3.03Å; Q94-D98 WeakPolarHBondContact O-CB 3.17Å; Q94-D98 VanDerWaalsContact O-CG 3.22Å; Q94-D98 PolarHBondContact O-N 3.01Å; L96-D98 PolarHBondContact O-N 3.49Å; D98-F102 WeakPolarHBondContact O-CD2 3.42Å; D98-F102 WeakPolarHBondContact O-CE2 3.48Å; D98-T119 HydrophobicContact CB-CG2 3.97Å; D98-K122 IonicContact OD1-NZ 3.15Å; D98-K122 IonicContact OD2-NZ 2.73Å; D98-K122 PolarHBondContact OD2-NZ 2.97Å; D98-R126 IonicContact OD2-CZ 3.32Å; D98-R126 IonicContact OD2-NH1 3.56Å; D98-R126 PolarHBondContact OD2-NH1 3.46Å; D98-R126 IonicContact OD2-NH2 2.78Å; D98-R126 PolarHBondContact OD2-NH2 3.06Å
99L97.3Very high95.7Very high1 Ų150.4 Ų50.41%0.00526%0.257CS..Hα-helixtrans-79.3-34.4-179.3-69.8168000113.3L61 P62 L65 S95 L96 M97 E101 F102 F116 T119 L120L61-L99 HydrophobicContact CB-CD1 3.79Å; L61-L99 HydrophobicContact CD1-CD1 4.39Å; L61-L99 HydrophobicContact CD1-CD2 4.23Å; P62-L99 HydrophobicContact CG-CB 4.11Å; L65-L99 HydrophobicContact CD1-CD1 3.64Å; S95-L99 WeakPolarHBondContact O-CB 3.41Å; S95-L99 WeakPolarHBondContact O-CD1 3.43Å; S95-L99 WeakPolarHBondContact O-CG 3.39Å; S95-L99 PolarHBondContact O-N 3.09Å; S95-L99 VanDerWaalsContact O-N 3.14Å; L96-L99 PolarHBondContact O-N 3.4Å; M97-L99 PolarHBondContact O-N 3.29Å; L99-E101 PolarHBondContact O-N 2.85Å; L99-F102 PolarHBondContact O-N 3.17Å; L99-F102 VanDerWaalsContact O-N 3.09Å; L99-F116 HydrophobicContact CD2-CE2 3.92Å; L99-T119 HydrophobicContact CD2-CG2 4.43Å; L99-L120 HydrophobicContact CD2-CD2 3.75Å
100V95.3Very high95.5Very high36 Ų3654.5 Ų54.522%0.21828%0.276CS..Hα-helixtrans-64.3-26.1179.5167.60000111.8E23 F27 L96 M97 F102 H103E23-V100 HydrophobicContact CB-CG2 4.49Å; E23-V100 HydrophobicContact CG-CG1 4.22Å; E23-V100 HydrophobicContact CG-CG2 4.48Å; F27-V100 HydrophobicContact CD2-CG2 4.26Å; F27-V100 HydrophobicContact CE2-CG2 3.62Å; F27-V100 HydrophobicContact CZ-CG2 4.33Å; L96-V100 HydrophobicContact CD1-CG2 3.99Å; L96-V100 HydrophobicContact CG-CG2 4.27Å; L96-V100 VanDerWaalsContact O-CG2 3.27Å; L96-V100 WeakPolarHBondContact O-CG2 3.5Å; L96-V100 PolarHBondContact O-N 3.11Å; M97-V100 PolarHBondContact O-N 3.41Å; V100-F102 PolarHBondContact O-N 3.41Å; V100-H103 VanDerWaalsContact O-CB 3.28Å; V100-H103 WeakPolarHBondContact O-CB 3.41Å; V100-H103 PolarHBondContact O-N 3.01Å
101E94.9Very high95.4Very high132 Ų13258.6 Ų58.662%0.61729%0.287SS*.THydrogen-bonded Turntrans-57.3-21.2172.7-67.2-175.6-175.800113.7M97 L99 K105M97-E101 PolarHBondContact O-N 3.33Å; L99-E101 PolarHBondContact O-N 2.85Å; E101-K105 WeakPolarHBondContact O-CE 3.45Å
102F96.6Very high95.3Very high4 Ų456.2 Ų56.22%0.01828%0.279CS..THydrogen-bonded Turntrans-95-6.7179.5-64.3-93.7000113.9F54 R58 D98 L99 V100 E104 K105 A112 D115 F116 T119F54-F102 HydrophobicContact CE2-CB 4.1Å; F54-F102 AromaticContact CE2-CD1 3.91Å; F54-F102 HydrophobicContact CE2-CD1 3.91Å; F54-F102 HydrophobicContact CE2-CG 4.38Å; F54-F102 HydrophobicContact CZ-CB 4.27Å; F54-F102 HydrophobicContact CZ-CD1 4.32Å; R58-F102 HydrophobicContact CB-CB 4.37Å; D98-F102 WeakPolarHBondContact O-CD2 3.42Å; D98-F102 WeakPolarHBondContact O-CE2 3.48Å; L99-F102 PolarHBondContact O-N 3.17Å; L99-F102 VanDerWaalsContact O-N 3.09Å; V100-F102 PolarHBondContact O-N 3.41Å; F102-E104 VanDerWaalsContact C-N 3.31Å; F102-E104 PolarHBondContact O-N 3.46Å; F102-K105 HydrophobicContact CD1-CD 3.71Å; F102-K105 HydrophobicContact CE1-CD 4.19Å; F102-K105 HydrophobicContact CG-CD 4.35Å; F102-K105 PolarHBondContact O-N 3.39Å; F102-A112 WeakPolarHBondContact CE1-O 3.34Å; F102-D115 HydrophobicContact CE1-CB 3.88Å; F102-D115 HydrophobicContact CZ-CB 4.01Å; F102-F116 HydrophobicContact CB-CD2 4.13Å; F102-F116 HydrophobicContact CB-CE2 4.45Å; F102-F116 HydrophobicContact CD1-CB 3.92Å; F102-F116 AromaticContact CD1-CD2 3.83Å; F102-F116 HydrophobicContact CD1-CD2 3.83Å; F102-F116 HydrophobicContact CD1-CG 4.34Å; F102-F116 AromaticContact CD2-CD2 3.98Å; F102-F116 HydrophobicContact CD2-CD2 3.98Å; F102-F116 HydrophobicContact CE1-CB 3.75Å; F102-F116 HydrophobicContact CE1-CD2 4.23Å; F102-F116 HydrophobicContact CE2-CD2 4.37Å; F102-F116 AromaticContact CG-CD2 3.71Å; F102-F116 HydrophobicContact CG-CD2 3.71Å; F102-F116 HydrophobicContact CG-CE2 4.41Å; F102-F116 HydrophobicContact CZ-CB 4.34Å; F102-F116 HydrophobicContact CZ-CD2 4.48Å; F102-T119 HydrophobicContact CE2-CG2 3.96Å; F102-T119 WeakPolarHBondContact CE2-OG1 3.42Å; F102-T119 WeakPolarHBondContact CZ-OG1 3.4Å
103H91.5Very high95.2Very high49 Ų4956.3 Ų56.323%0.22728%0.279CS..THydrogen-bonded Turntrans-58.4-42.2-172.1-166.867.7000112.7F27 V100F27-H103 AromaticContact CE1-CE1 3.88Å; F27-H103 AromaticContact CZ-CE1 3.86Å; F27-H103 AromaticContact CZ-ND1 3.83Å; V100-H103 VanDerWaalsContact O-CB 3.28Å; V100-H103 WeakPolarHBondContact O-CB 3.41Å; V100-H103 PolarHBondContact O-N 3.01Å
104E91.3Very high95.1Very high169 Ų16957.1 Ų57.179%0.7929%0.289SS*.THydrogen-bonded Turntrans-97.7-1.3-177.8-61-62.3149.100113.9F102F102-E104 VanDerWaalsContact C-N 3.31Å; F102-E104 PolarHBondContact O-N 3.46Å
105K94.4Very high95Very high63 Ų6355.4 Ų55.427%0.27428%0.282SS..SBendtrans-69.7156.7179.7-68.5-170.8-175173.90110.6F54 R58 E101 F102 A112F54-K105 HydrophobicContact CZ-CB 4.32Å; R58-K105 PolarHBondContact NH1-O 3.01Å; E101-K105 WeakPolarHBondContact O-CE 3.45Å; F102-K105 HydrophobicContact CD1-CD 3.71Å; F102-K105 HydrophobicContact CE1-CD 4.19Å; F102-K105 HydrophobicContact CG-CD 4.35Å; F102-K105 PolarHBondContact O-N 3.39Å; K105-A112 HydrophobicContact CB-CB 4.06Å; K105-A112 HydrophobicContact CD-CB 3.72Å; K105-A112 HydrophobicContact CG-CB 4.47Å
106S93.6Very high95Very high56 Ų5655.4 Ų55.439%0.39228%0.282SS..  trans-82.7138.3176.6-176.50000111.2D108 D109S106-D108 PolarHBondContact O-N 2.94Å; S106-D108 PolarHBondContact OG-N 2.76Å; S106-D109 WeakPolarHBondContact O-CB 3.37Å; S106-D109 PolarHBondContact O-N 3.2Å; S106-D109 VanDerWaalsContact O-N 3.15Å
107P92.1Very high95Very high32 Ų3255.9 Ų55.921%0.20829%0.286CS..THydrogen-bonded Turntrans-62.8-15.5169-21.233.9000114.4R51 F54 A55R51-P107 HydrophobicContact CB-CB 4.14Å; R51-P107 WeakPolarHBondContact CD-O 3.28Å; R51-P107 VanDerWaalsContact CG-O 3.27Å; R51-P107 WeakPolarHBondContact CG-O 3.5Å; F54-P107 HydrophobicContact CD1-CB 4.04Å; F54-P107 HydrophobicContact CD1-CG 4.29Å; F54-P107 HydrophobicContact CE1-CB 4.41Å; F54-P107 HydrophobicContact CE1-CG 4.38Å; A55-P107 HydrophobicContact CB-CG 4.29Å
108D93.1Very high95Very high105 Ų10558 Ų5856%0.56130%0.298SS*.THydrogen-bonded Turntrans-88.7-4.8176.6-60.9-49.4000113.1R51 S106 Q110R51-D108 IonicContact CZ-OD1 3.41Å; R51-D108 IonicContact NE-OD1 2.71Å; R51-D108 IonicContact NH1-OD1 3.57Å; R51-D108 PolarHBondContact NH1-OD1 2.97Å; S106-D108 PolarHBondContact O-N 2.94Å; S106-D108 PolarHBondContact OG-N 2.76Å; D108-Q110 PolarHBondContact O-N 3.34Å
109D93.9Very high95.1Very high72 Ų7258.6 Ų58.639%0.38530%0.302SS..  trans-83.7103.3176.4179.6-1.6000110.5S106 K111 A112 L113S106-D109 WeakPolarHBondContact O-CB 3.37Å; S106-D109 PolarHBondContact O-N 3.2Å; S106-D109 VanDerWaalsContact O-N 3.15Å; D109-K111 PolarHBondContact O-N 3.16Å; D109-K111 WeakPolarHBondContact OD1-CB 2.98Å; D109-K111 PolarHBondContact OD1-N 3Å; D109-A112 HydrophobicContact CB-CB 3.8Å; D109-A112 WeakPolarHBondContact O-CB 3.16Å; D109-A112 PolarHBondContact O-N 2.8Å; D109-A112 PolarHBondContact OD1-N 3.28Å; D109-L113 PolarHBondContact O-N 2.83Å; D109-L113 VanDerWaalsContact O-N 3.11Å
110Q93.5Very high95.1Very high118 Ų11858.6 Ų58.655%0.55130%0.302SS*.Hα-helixtrans-59-32.5-179.2-166.661.737.600113.1D108 L113 S114D108-Q110 PolarHBondContact O-N 3.34Å; Q110-L113 PolarHBondContact O-N 2.85Å; Q110-S114 PolarHBondContact O-N 2.81Å; Q110-S114 VanDerWaalsContact O-N 3.13Å
111K95.4Very high95.2Very high142 Ų14259 Ų5962%0.61730%0.302SS*.Hα-helixtrans-69.6-40.1176.8-175.7177.4177-178.90110.4D109 L113 S114 D115D109-K111 PolarHBondContact O-N 3.16Å; D109-K111 WeakPolarHBondContact OD1-CB 2.98Å; D109-K111 PolarHBondContact OD1-N 3Å; K111-L113 VanDerWaalsContact C-N 3.29Å; K111-L113 PolarHBondContact O-N 3.26Å; K111-S114 PolarHBondContact O-N 3.38Å; K111-D115 WeakPolarHBondContact O-CB 3.39Å; K111-D115 PolarHBondContact O-N 3.38Å
112A95.9Very high95.3Very high1 Ų157.8 Ų57.81%0.00830%0.295CS..Hα-helixtrans-61.5-37.6175.300000112.5F102 K105 D109 F116F102-A112 WeakPolarHBondContact CE1-O 3.34Å; K105-A112 HydrophobicContact CB-CB 4.06Å; K105-A112 HydrophobicContact CD-CB 3.72Å; K105-A112 HydrophobicContact CG-CB 4.47Å; D109-A112 HydrophobicContact CB-CB 3.8Å; D109-A112 WeakPolarHBondContact O-CB 3.16Å; D109-A112 PolarHBondContact O-N 2.8Å; D109-A112 PolarHBondContact OD1-N 3.28Å; A112-F116 VanDerWaalsContact O-CB 3.23Å; A112-F116 WeakPolarHBondContact O-CB 3.49Å; A112-F116 PolarHBondContact O-N 2.82Å
113L95.9Very high95.4Very high2 Ų257.6 Ų57.61%0.0129%0.294CS..Hα-helixtrans-63.9-50.5175.7-61.6178.7000111.5E50 R51 F54 D109 Q110 K111 F116 V117E50-L113 HydrophobicContact CG-CD1 4.35Å; E50-L113 HydrophobicContact CG-CD2 4.39Å; R51-L113 HydrophobicContact CG-CD1 4.22Å; F54-L113 HydrophobicContact CB-CD2 3.56Å; F54-L113 HydrophobicContact CD1-CD2 3.69Å; F54-L113 HydrophobicContact CD2-CD2 4.04Å; F54-L113 HydrophobicContact CE1-CD2 4.38Å; F54-L113 HydrophobicContact CG-CD2 3.48Å; F54-L113 VanDerWaalsContact CG-CD2 3.48Å; D109-L113 PolarHBondContact O-N 2.83Å; D109-L113 VanDerWaalsContact O-N 3.11Å; Q110-L113 PolarHBondContact O-N 2.85Å; K111-L113 VanDerWaalsContact C-N 3.29Å; K111-L113 PolarHBondContact O-N 3.26Å; L113-F116 WeakPolarHBondContact O-CB 3.29Å; L113-F116 PolarHBondContact O-N 3.48Å; L113-F116 VanDerWaalsContact O-N 3.15Å; L113-V117 PolarHBondContact O-N 2.82Å; L113-V117 VanDerWaalsContact O-N 3.14Å
114S95.3Very high95.6Very high63 Ų6358.2 Ų58.244%0.44130%0.295SS..Hα-helixtrans-59.7-49.8176.6-173.40000112.3Q110 K111 F116 V117 D118Q110-S114 PolarHBondContact O-N 2.81Å; Q110-S114 VanDerWaalsContact O-N 3.13Å; K111-S114 PolarHBondContact O-N 3.38Å; S114-F116 PolarHBondContact O-N 2.86Å; S114-V117 PolarHBondContact O-N 2.89Å; S114-D118 PolarHBondContact O-N 2.99Å
115D96.8Very high95.9Very high57 Ų5754.5 Ų54.531%0.30528%0.28SS..Hα-helixtrans-60.6-30.1178.6-71.1-12.4000111.3F102 K111 T119F102-D115 HydrophobicContact CE1-CB 3.88Å; F102-D115 HydrophobicContact CZ-CB 4.01Å; K111-D115 WeakPolarHBondContact O-CB 3.39Å; K111-D115 PolarHBondContact O-N 3.38Å; D115-T119 WeakPolarHBondContact O-CB 3.21Å; D115-T119 PolarHBondContact O-N 2.75Å; D115-T119 PolarHBondContact O-OG1 3.24Å
116F97.8Very high96Very high0 Ų053.8 Ų53.80%028%0.276CS..Hα-helixtrans-70.4-45.6178.2-174.5-110.3000111.5F54 L57 R58 L99 F102 A112 L113 S114 D118 T119 L120 H176F54-F116 HydrophobicContact CD2-CB 3.87Å; F54-F116 AromaticContact CD2-CD1 3.56Å; F54-F116 HydrophobicContact CD2-CD1 3.56Å; F54-F116 HydrophobicContact CD2-CD2 4.02Å; F54-F116 AromaticContact CD2-CE1 3.99Å; F54-F116 HydrophobicContact CD2-CE1 3.99Å; F54-F116 HydrophobicContact CD2-CE2 4.43Å; F54-F116 AromaticContact CD2-CG 3.55Å; F54-F116 HydrophobicContact CD2-CG 3.55Å; F54-F116 HydrophobicContact CD2-CZ 4.4Å; F54-F116 HydrophobicContact CE2-CB 3.83Å; F54-F116 HydrophobicContact CE2-CD1 4.2Å; F54-F116 AromaticContact CE2-CD2 3.84Å; F54-F116 HydrophobicContact CE2-CD2 3.84Å; F54-F116 HydrophobicContact CE2-CE2 4.4Å; F54-F116 AromaticContact CE2-CG 3.7Å; F54-F116 HydrophobicContact CE2-CG 3.7Å; L57-F116 HydrophobicContact CB-CE1 3.99Å; L57-F116 HydrophobicContact CB-CZ 3.8Å; L57-F116 HydrophobicContact CD1-CE1 4.4Å; R58-F116 HydrophobicContact CB-CE2 4.35Å; L99-F116 HydrophobicContact CD2-CE2 3.92Å; F102-F116 HydrophobicContact CB-CD2 4.13Å; F102-F116 HydrophobicContact CB-CE2 4.45Å; F102-F116 HydrophobicContact CD1-CB 3.92Å; F102-F116 AromaticContact CD1-CD2 3.83Å; F102-F116 HydrophobicContact CD1-CD2 3.83Å; F102-F116 HydrophobicContact CD1-CG 4.34Å; F102-F116 AromaticContact CD2-CD2 3.98Å; F102-F116 HydrophobicContact CD2-CD2 3.98Å; F102-F116 HydrophobicContact CE1-CB 3.75Å; F102-F116 HydrophobicContact CE1-CD2 4.23Å; F102-F116 HydrophobicContact CE2-CD2 4.37Å; F102-F116 AromaticContact CG-CD2 3.71Å; F102-F116 HydrophobicContact CG-CD2 3.71Å; F102-F116 HydrophobicContact CG-CE2 4.41Å; F102-F116 HydrophobicContact CZ-CB 4.34Å; F102-F116 HydrophobicContact CZ-CD2 4.48Å; A112-F116 VanDerWaalsContact O-CB 3.23Å; A112-F116 WeakPolarHBondContact O-CB 3.49Å; A112-F116 PolarHBondContact O-N 2.82Å; L113-F116 WeakPolarHBondContact O-CB 3.29Å; L113-F116 PolarHBondContact O-N 3.48Å; L113-F116 VanDerWaalsContact O-N 3.15Å; S114-F116 PolarHBondContact O-N 2.86Å; F116-D118 VanDerWaalsContact C-N 3.31Å; F116-D118 PolarHBondContact O-N 3.29Å; F116-T119 CarbonylContact O-C 3.05Å; F116-T119 WeakPolarHBondContact O-CA 3.47Å; F116-T119 WeakPolarHBondContact O-CB 3.36Å; F116-T119 PolarHBondContact O-N 2.87Å; F116-T119 VanDerWaalsContact O-N 3.11Å; F116-L120 HydrophobicContact CD1-CD1 4.11Å; F116-L120 HydrophobicContact CD1-CG 4.17Å; F116-L120 HydrophobicContact CE1-CD1 3.7Å; F116-L120 HydrophobicContact CE1-CD2 4.08Å; F116-L120 HydrophobicContact CE1-CG 3.96Å; F116-L120 HydrophobicContact CE2-CD2 4.08Å; F116-L120 HydrophobicContact CZ-CD1 4.24Å; F116-L120 HydrophobicContact CZ-CD2 3.79Å; F116-L120 HydrophobicContact CZ-CG 4.18Å; F116-L120 WeakPolarHBondContact O-CG 3.28Å; F116-L120 PolarHBondContact O-N 3.48Å; F116-H176 AromaticContact CD1-NE2 3.68Å
117V96.8Very high96.2Very high11 Ų1151.4 Ų51.47%0.06726%0.259CS..Hα-helixtrans-56.1-47.5175.1175.90000110.6L113 S114 T119 L120 I121L113-V117 PolarHBondContact O-N 2.82Å; L113-V117 VanDerWaalsContact O-N 3.14Å; S114-V117 PolarHBondContact O-N 2.89Å; V117-T119 VanDerWaalsContact C-N 3.3Å; V117-T119 PolarHBondContact O-N 3.02Å; V117-L120 PolarHBondContact O-N 2.9Å; V117-I121 HydrophobicContact CG1-CD1 4.15Å; V117-I121 WeakPolarHBondContact O-CG1 3.33Å; V117-I121 PolarHBondContact O-N 2.83Å
118D96.9Very high96.1Very high96 Ų9655.9 Ų55.951%0.51328%0.276SS..Hα-helixtrans-60.2-40.7176.6-74.5-25.7000112.1S114 F116 I121 K122S114-D118 PolarHBondContact O-N 2.99Å; F116-D118 VanDerWaalsContact C-N 3.31Å; F116-D118 PolarHBondContact O-N 3.29Å; D118-I121 PolarHBondContact O-N 3.5Å; D118-K122 WeakPolarHBondContact O-CB 3.47Å; D118-K122 PolarHBondContact O-N 2.51Å
119T98.3Very high96.1Very high22 Ų2255 Ų5514%0.13527%0.272CS..Hα-helixtrans-64.9-41.5176-60.90000111.6D98 L99 F102 D115 F116 V117 I121 K122 V123D98-T119 HydrophobicContact CB-CG2 3.97Å; L99-T119 HydrophobicContact CD2-CG2 4.43Å; F102-T119 HydrophobicContact CE2-CG2 3.96Å; F102-T119 WeakPolarHBondContact CE2-OG1 3.42Å; F102-T119 WeakPolarHBondContact CZ-OG1 3.4Å; D115-T119 WeakPolarHBondContact O-CB 3.21Å; D115-T119 PolarHBondContact O-N 2.75Å; D115-T119 PolarHBondContact O-OG1 3.24Å; F116-T119 CarbonylContact O-C 3.05Å; F116-T119 WeakPolarHBondContact O-CA 3.47Å; F116-T119 WeakPolarHBondContact O-CB 3.36Å; F116-T119 PolarHBondContact O-N 2.87Å; F116-T119 VanDerWaalsContact O-N 3.11Å; V117-T119 VanDerWaalsContact C-N 3.3Å; V117-T119 PolarHBondContact O-N 3.02Å; T119-I121 VanDerWaalsContact C-N 3.33Å; T119-I121 PolarHBondContact O-N 3.08Å; T119-K122 WeakPolarHBondContact O-CB 3.48Å; T119-K122 PolarHBondContact O-N 3Å; T119-V123 HydrophobicContact CG2-CG2 4.35Å; T119-V123 VanDerWaalsContact O-CG2 3.3Å; T119-V123 WeakPolarHBondContact O-CG2 3.48Å; T119-V123 PolarHBondContact O-N 3.37Å
120L97.9Very high96.2Very high0 Ų051.6 Ų51.60%025%0.254CS..Hα-helixtrans-62.6-40.7175.4-64-167.8000111.6L57 L61 L99 F116 V117 V123 R124 M173 H176 I177L57-L120 HydrophobicContact CD1-CD1 4.43Å; L61-L120 HydrophobicContact CD1-CD2 3.58Å; L99-L120 HydrophobicContact CD2-CD2 3.75Å; F116-L120 HydrophobicContact CD1-CD1 4.11Å; F116-L120 HydrophobicContact CD1-CG 4.17Å; F116-L120 HydrophobicContact CE1-CD1 3.7Å; F116-L120 HydrophobicContact CE1-CD2 4.08Å; F116-L120 HydrophobicContact CE1-CG 3.96Å; F116-L120 HydrophobicContact CE2-CD2 4.08Å; F116-L120 HydrophobicContact CZ-CD1 4.24Å; F116-L120 HydrophobicContact CZ-CD2 3.79Å; F116-L120 HydrophobicContact CZ-CG 4.18Å; F116-L120 WeakPolarHBondContact O-CG 3.28Å; F116-L120 PolarHBondContact O-N 3.48Å; V117-L120 PolarHBondContact O-N 2.9Å; L120-V123 PolarHBondContact O-N 3.07Å; L120-R124 VanDerWaalsContact O-CB 3.26Å; L120-R124 WeakPolarHBondContact O-CB 3.26Å; L120-R124 PolarHBondContact O-N 3.44Å; L120-M173 HydrophobicContact CD2-CG 4.13Å; L120-M173 HydrophobicContact CD2-SD 4.46Å; L120-H176 HydrophobicContact CD1-CB 3.87Å; L120-I177 HydrophobicContact CB-CD1 3.89Å; L120-I177 HydrophobicContact CB-CG1 3.98Å; L120-I177 HydrophobicContact CD1-CG1 4.48Å
121I96.9Very high96.1Very high44 Ų4447.5 Ų47.523%0.22624%0.236CC..Hα-helixtrans-61.6-46.2175.2-67.5166.6000110.2V117 D118 T119 R124 N125 I177V117-I121 HydrophobicContact CG1-CD1 4.15Å; V117-I121 WeakPolarHBondContact O-CG1 3.33Å; V117-I121 PolarHBondContact O-N 2.83Å; D118-I121 PolarHBondContact O-N 3.5Å; T119-I121 VanDerWaalsContact C-N 3.33Å; T119-I121 PolarHBondContact O-N 3.08Å; I121-R124 PolarHBondContact O-N 3.25Å; I121-N125 WeakPolarHBondContact O-CB 3.33Å; I121-N125 PolarHBondContact O-N 3.24Å; I121-N125 PolarHBondContact O-ND2 3.32Å; I121-N125 PolarHBondContact O-OD1 3.46Å; I121-I177 HydrophobicContact CD1-CG2 4.35Å; I121-I177 HydrophobicContact CG1-CD1 3.85Å; I121-I177 HydrophobicContact CG1-CG1 4.06Å; I121-I177 HydrophobicContact CG1-CG2 4.06Å
122K97.8Very high95.9Very high107 Ų10742.6 Ų42.647%0.46522%0.219SC..Hα-helixtrans-58.9-47.3176.7-175.3-167.9-179.4-154.40111.7D98 D118 T119 N125 R126D98-K122 IonicContact OD1-NZ 3.15Å; D98-K122 IonicContact OD2-NZ 2.73Å; D98-K122 PolarHBondContact OD2-NZ 2.97Å; D118-K122 WeakPolarHBondContact O-CB 3.47Å; D118-K122 PolarHBondContact O-N 2.51Å; T119-K122 WeakPolarHBondContact O-CB 3.48Å; T119-K122 PolarHBondContact O-N 3Å; K122-N125 PolarHBondContact O-N 3.03Å; K122-R126 VanDerWaalsContact CE-NH2 3.26Å; K122-R126 WeakPolarHBondContact O-CB 3.46Å; K122-R126 PolarHBondContact O-N 3.02Å
123V98.1Very high95.8Very high1 Ų143.2 Ų43.21%0.00622%0.223CC..Hα-helixtrans-63-47.4177.7170.20000111.1T119 L120 N125 R126 H127 M173T119-V123 HydrophobicContact CG2-CG2 4.35Å; T119-V123 VanDerWaalsContact O-CG2 3.3Å; T119-V123 WeakPolarHBondContact O-CG2 3.48Å; T119-V123 PolarHBondContact O-N 3.37Å; L120-V123 PolarHBondContact O-N 3.07Å; V123-N125 VanDerWaalsContact C-N 3.31Å; V123-N125 PolarHBondContact O-N 3.27Å; V123-R126 WeakPolarHBondContact O-CB 3.38Å; V123-R126 PolarHBondContact O-N 2.87Å; V123-H127 PolarHBondContact O-CD2 3.31Å; V123-H127 PolarHBondContact O-N 3.4Å; V123-M173 HydrophobicContact CB-SD 4.14Å; V123-M173 HydrophobicContact CG1-CE 4.23Å; V123-M173 HydrophobicContact CG1-SD 3.66Å
124R96.4Very high95.7Very high62 Ų6243.2 Ų43.223%0.23422%0.223CC..Hα-helixtrans-56.9-44.4177.3-177.4-169.269-170.3-2.4111.7L120 I121 H127 H128 N174L120-R124 VanDerWaalsContact O-CB 3.26Å; L120-R124 WeakPolarHBondContact O-CB 3.26Å; L120-R124 PolarHBondContact O-N 3.44Å; I121-R124 PolarHBondContact O-N 3.25Å; R124-H127 PolarHBondContact O-N 2.98Å; R124-H128 PolarHBondContact O-N 3.01Å; R124-N174 VanDerWaalsContact CD-OD1 3.3Å; R124-N174 WeakPolarHBondContact CD-OD1 3.48Å
125N95.9Very high95.5Very high91 Ų9140.3 Ų40.349%0.48720%0.202SC..Hα-helixtrans-69.7-41.4-179.5-67.2-9.3000111.5I121 K122 V123 H127 H128I121-N125 WeakPolarHBondContact O-CB 3.33Å; I121-N125 PolarHBondContact O-N 3.24Å; I121-N125 PolarHBondContact O-ND2 3.32Å; I121-N125 PolarHBondContact O-OD1 3.46Å; K122-N125 PolarHBondContact O-N 3.03Å; V123-N125 VanDerWaalsContact C-N 3.31Å; V123-N125 PolarHBondContact O-N 3.27Å; N125-H127 PolarHBondContact O-N 2.81Å; N125-H128 WeakPolarHBondContact O-CB 3.4Å; N125-H128 PolarHBondContact O-N 3.08Å; N125-H128 VanDerWaalsContact O-N 3.13Å
126R97.8Very high95.2Very high48 Ų4840.1 Ų40.118%0.18120%0.2CC..Hα-helixtrans-56.3-37.7172.9-174.7-174.2-60.3126.6-1.5111.9W91 S95 D98 K122 V123 H128W91-R126 HydrophobicContact CB-CG 3.97Å; W91-R126 HydrophobicContact CG-CG 3.9Å; S95-R126 PolarHBondContact OG-NH1 3.42Å; D98-R126 IonicContact OD2-CZ 3.32Å; D98-R126 IonicContact OD2-NH1 3.56Å; D98-R126 PolarHBondContact OD2-NH1 3.46Å; D98-R126 IonicContact OD2-NH2 2.78Å; D98-R126 PolarHBondContact OD2-NH2 3.06Å; K122-R126 VanDerWaalsContact CE-NH2 3.26Å; K122-R126 WeakPolarHBondContact O-CB 3.46Å; K122-R126 PolarHBondContact O-N 3.02Å; V123-R126 WeakPolarHBondContact O-CB 3.38Å; V123-R126 PolarHBondContact O-N 2.87Å; R126-H128 VanDerWaalsContact C-N 3.28Å; R126-H128 PolarHBondContact O-N 3.18Å
127H97.1Very high95Very high6 Ų640.1 Ų40.13%0.02820%0.2CC..THydrogen-bonded Turntrans-84.74.9-177.2-72-157.6000114S95 V123 R124 N125 N129 V130 R166S95-H127 PolarHBondContact OG-NE2 3.35Å; V123-H127 PolarHBondContact O-CD2 3.31Å; V123-H127 PolarHBondContact O-N 3.4Å; R124-H127 PolarHBondContact O-N 2.98Å; N125-H127 PolarHBondContact O-N 2.81Å; H127-N129 PolarHBondContact O-N 3.21Å; H127-V130 HydrophobicContact CB-CG2 3.97Å; H127-V130 WeakPolarHBondContact O-CB 3.48Å; H127-V130 WeakPolarHBondContact O-CG2 3.46Å; H127-V130 PolarHBondContact O-N 3.42Å; H127-R166 PolarHBondContact O-NE 3.4Å; H127-R166 PolarHBondContact O-NH2 3.33Å
128H91.6Very high94.7Very high125 Ų12539.8 Ų39.858%0.57920%0.197SC*.THydrogen-bonded Turntrans-56.8-48.7-176.7-171.484.7000112.1R124 N125 R126 V130 R166R124-H128 PolarHBondContact O-N 3.01Å; N125-H128 WeakPolarHBondContact O-CB 3.4Å; N125-H128 PolarHBondContact O-N 3.08Å; N125-H128 VanDerWaalsContact O-N 3.13Å; R126-H128 VanDerWaalsContact C-N 3.28Å; R126-H128 PolarHBondContact O-N 3.18Å; H128-V130 PolarHBondContact O-N 2.88Å; H128-R166 PolarHBondContact O-NH2 2.91Å
129N92.3Very high94.3Very high88 Ų8837.1 Ų37.147%0.47118%0.183SC..THydrogen-bonded Turntrans-90.810.9-175.5-70-29000114.9W91 H127 V131 P132 T133W91-N129 HydrophobicContact CH2-CB 4.3Å; H127-N129 PolarHBondContact O-N 3.21Å; N129-V131 VanDerWaalsContact C-N 3.31Å; N129-V131 PolarHBondContact O-N 2.91Å; N129-P132 HydrophobicContact CB-CG 4.36Å; N129-P132 VanDerWaalsContact O-CD 3.25Å; N129-P132 WeakPolarHBondContact O-CD 3.2Å; N129-P132 WeakPolarHBondContact O-CG 3.32Å; N129-T133 WeakPolarHBondContact O-CB 3.22Å; N129-T133 PolarHBondContact O-N 3.24Å; N129-T133 PolarHBondContact O-OG1 3.49Å
130V95.3Very high93.9Very high0 Ų038.2 Ų38.20%019%0.187CC..Hα-helixtrans-58.3-39.7-177.4165.70000113.2V88 W91 Y92 H127 H128 M134 F162V88-V130 HydrophobicContact CG1-CG1 4.22Å; W91-V130 HydrophobicContact CE3-CG2 3.8Å; W91-V130 HydrophobicContact CZ3-CG2 4.12Å; Y92-V130 HydrophobicContact CE2-CG1 4.1Å; Y92-V130 HydrophobicContact CE2-CG2 4.1Å; H127-V130 HydrophobicContact CB-CG2 3.97Å; H127-V130 WeakPolarHBondContact O-CB 3.48Å; H127-V130 WeakPolarHBondContact O-CG2 3.46Å; H127-V130 PolarHBondContact O-N 3.42Å; H128-V130 PolarHBondContact O-N 2.88Å; V130-M134 WeakPolarHBondContact O-CB 3.3Å; V130-M134 PolarHBondContact O-N 3.19Å; V130-F162 HydrophobicContact CG1-CE1 3.59Å; V130-F162 HydrophobicContact CG1-CZ 3.43Å; V130-F162 VanDerWaalsContact CG1-CZ 3.43Å
131V92.4Very high93.6Very high32 Ų3239 Ų3919%0.19419%0.189CC..Hα-helixtrans-64.4-58.4-179.3178.50000111.7N129 T133 M134 A135 Y163 Y332 I336N129-V131 VanDerWaalsContact C-N 3.31Å; N129-V131 PolarHBondContact O-N 2.91Å; V131-T133 PolarHBondContact O-N 3.37Å; V131-M134 PolarHBondContact O-N 3.04Å; V131-A135 PolarHBondContact O-N 3.26Å; V131-Y163 HydrophobicContact CB-CE1 4.2Å; V131-Y163 HydrophobicContact CG1-CE1 4.23Å; V131-Y163 HydrophobicContact CG2-CD1 4.07Å; V131-Y163 HydrophobicContact CG2-CE1 3.77Å; V131-Y163 PolarHBondContact O-OH 3.41Å; V131-Y332 HydrophobicContact CG1-CD1 4.34Å; V131-I336 HydrophobicContact CG1-CD1 3.72Å
132P91.4Very high93.1Very high38 Ų3841.2 Ų41.225%0.24720%0.197CC..Hα-helixtrans-63.8-37.5179.423.6-33.7000112.8N129 A135 Q136N129-P132 HydrophobicContact CB-CG 4.36Å; N129-P132 VanDerWaalsContact O-CD 3.25Å; N129-P132 WeakPolarHBondContact O-CD 3.2Å; N129-P132 WeakPolarHBondContact O-CG 3.32Å; P132-A135 PolarHBondContact O-N 2.86Å; P132-Q136 WeakPolarHBondContact O-CB 3.46Å; P132-Q136 PolarHBondContact O-N 2.93Å
133T92.9Very high92.5Very high15 Ų1542.5 Ų42.59%0.09221%0.21CC..Hα-helixtrans-66.2-43.8177.7-55.20000111.8S84 L87 V88 W91 N129 V131 A135 Q136 G137S84-T133 VanDerWaalsContact CB-O 3.29Å; S84-T133 WeakPolarHBondContact CB-O 3.46Å; L87-T133 HydrophobicContact CD2-CG2 4.1Å; V88-T133 HydrophobicContact CG2-CG2 3.73Å; W91-T133 HydrophobicContact CH2-CG2 4.09Å; W91-T133 HydrophobicContact CZ3-CG2 4.17Å; N129-T133 WeakPolarHBondContact O-CB 3.22Å; N129-T133 PolarHBondContact O-N 3.24Å; N129-T133 PolarHBondContact O-OG1 3.49Å; V131-T133 PolarHBondContact O-N 3.37Å; T133-A135 VanDerWaalsContact C-N 3.33Å; T133-A135 PolarHBondContact O-N 3.39Å; T133-Q136 WeakPolarHBondContact O-CB 3.4Å; T133-Q136 PolarHBondContact O-N 2.92Å; T133-G137 PolarHBondContact O-N 3.43Å
134M94.9Very high91.9Very high1 Ų146.3 Ų46.31%0.00524%0.241CC..Hα-helixtrans-62.9-41.9175.6-179.760.270.600111.2V85 V88 V130 V131 Q136 G137 I138 F158 L159 F162 Y163V85-M134 HydrophobicContact CG2-SD 3.99Å; V88-M134 HydrophobicContact CB-CE 4.11Å; V88-M134 HydrophobicContact CG1-CE 3.79Å; V88-M134 HydrophobicContact CG2-CB 4.43Å; V88-M134 HydrophobicContact CG2-CE 4.39Å; V130-M134 WeakPolarHBondContact O-CB 3.3Å; V130-M134 PolarHBondContact O-N 3.19Å; V131-M134 PolarHBondContact O-N 3.04Å; M134-Q136 VanDerWaalsContact C-N 3.29Å; M134-Q136 PolarHBondContact O-N 2.93Å; M134-G137 PolarHBondContact O-N 3.28Å; M134-G137 VanDerWaalsContact O-N 3.09Å; M134-I138 WeakPolarHBondContact O-CG1 3.36Å; M134-I138 PolarHBondContact O-N 2.87Å; M134-I138 VanDerWaalsContact O-N 3.08Å; M134-I138 HydrophobicContact SD-CD1 4.35Å; M134-F158 HydrophobicContact CE-CE1 4.31Å; M134-F158 HydrophobicContact CE-CZ 4.34Å; M134-F158 HydrophobicContact SD-CE1 4.29Å; M134-L159 HydrophobicContact CG-CD2 3.85Å; M134-L159 HydrophobicContact SD-CD2 4.46Å; M134-F162 HydrophobicContact CB-CE1 4.22Å; M134-F162 HydrophobicContact CE-CE1 4.04Å; M134-F162 HydrophobicContact CE-CE2 4.16Å; M134-F162 HydrophobicContact CE-CZ 3.84Å; M134-F162 HydrophobicContact CG-CD1 4.41Å; M134-F162 HydrophobicContact CG-CE1 4.09Å; M134-Y163 WeakPolarHBondContact CB-OH 3.38Å; M134-Y163 WeakPolarHBondContact CG-OH 3.43Å
135A91.1Very high91.2Very high2 Ų245.7 Ų45.72%0.01725%0.245CC..Hα-helixtrans-58.3-41.9175.200000112.2V131 P132 T133 G137 I138 I139 F330 Y332V131-A135 PolarHBondContact O-N 3.26Å; P132-A135 PolarHBondContact O-N 2.86Å; T133-A135 VanDerWaalsContact C-N 3.33Å; T133-A135 PolarHBondContact O-N 3.39Å; A135-G137 VanDerWaalsContact C-N 3.34Å; A135-G137 PolarHBondContact O-N 3.4Å; A135-I138 WeakPolarHBondContact O-CB 3.47Å; A135-I138 PolarHBondContact O-N 3.14Å; A135-I139 WeakPolarHBondContact O-CG1 3.31Å; A135-I139 PolarHBondContact O-N 3.25Å; A135-F330 HydrophobicContact CB-CD1 4.3Å; A135-Y332 WeakPolarHBondContact CA-OH 3.29Å; A135-Y332 HydrophobicContact CB-CD1 4.47Å; A135-Y332 HydrophobicContact CB-CD2 4.25Å; A135-Y332 HydrophobicContact CB-CE1 3.94Å; A135-Y332 HydrophobicContact CB-CE2 3.71Å
136Q90.2Very high90.4Very high54 Ų5448.1 Ų48.125%0.25226%0.264SS..Hα-helixtrans-61.8-39.7174.7-174.456.339.800112.2P132 T133 M134 I138 I139 E140 M319P132-Q136 WeakPolarHBondContact O-CB 3.46Å; P132-Q136 PolarHBondContact O-N 2.93Å; T133-Q136 WeakPolarHBondContact O-CB 3.4Å; T133-Q136 PolarHBondContact O-N 2.92Å; M134-Q136 VanDerWaalsContact C-N 3.29Å; M134-Q136 PolarHBondContact O-N 2.93Å; Q136-I138 VanDerWaalsContact C-N 3.29Å; Q136-I138 PolarHBondContact O-N 3.25Å; Q136-I139 WeakPolarHBondContact O-CB 3.46Å; Q136-I139 PolarHBondContact O-N 3.42Å; Q136-I139 VanDerWaalsContact O-N 3.16Å; Q136-E140 WeakPolarHBondContact O-CG 3.2Å; Q136-E140 PolarHBondContact O-N 2.79Å; Q136-M319 HydrophobicContact CB-SD 4.35Å; Q136-M319 HydrophobicContact CG-SD 4.38Å
137G92.2Very high89.4Confident0 Ų047.7 Ų47.70%027%0.266CS..Hα-helixtrans-62.5-34.817400000113.6S84 T133 M134 A135 Y141S84-G137 VanDerWaalsContact CB-CA 3.48Å; T133-G137 PolarHBondContact O-N 3.43Å; M134-G137 PolarHBondContact O-N 3.28Å; M134-G137 VanDerWaalsContact O-N 3.09Å; A135-G137 VanDerWaalsContact C-N 3.34Å; A135-G137 PolarHBondContact O-N 3.4Å; G137-Y141 WeakPolarHBondContact O-CB 3.39Å; G137-Y141 PolarHBondContact O-N 3.46Å
138I91.2Very high88.6Confident3 Ų350.7 Ų50.72%0.01528%0.283CS..Hα-helixtrans-69-38.6173.9-57.2-37.7000111.3L79 M134 A135 Q136 Y141 K142 L155 L159 T310L79-I138 HydrophobicContact CD1-CD1 3.66Å; L79-I138 HydrophobicContact CD2-CD1 4.15Å; M134-I138 WeakPolarHBondContact O-CG1 3.36Å; M134-I138 PolarHBondContact O-N 2.87Å; M134-I138 VanDerWaalsContact O-N 3.08Å; M134-I138 HydrophobicContact SD-CD1 4.35Å; A135-I138 WeakPolarHBondContact O-CB 3.47Å; A135-I138 PolarHBondContact O-N 3.14Å; Q136-I138 VanDerWaalsContact C-N 3.29Å; Q136-I138 PolarHBondContact O-N 3.25Å; I138-Y141 PolarHBondContact O-N 2.71Å; I138-K142 HydrophobicContact CG2-CD 4.26Å; I138-K142 WeakPolarHBondContact O-CG 3.25Å; I138-K142 PolarHBondContact O-N 2.96Å; I138-L155 HydrophobicContact CD1-CD1 3.56Å; I138-L155 HydrophobicContact CD1-CD2 4.16Å; I138-L155 HydrophobicContact CD1-CG 4.45Å; I138-L155 HydrophobicContact CG1-CD1 4.36Å; I138-L155 HydrophobicContact CG1-CD2 4.42Å; I138-L155 HydrophobicContact CG2-CD2 3.68Å; I138-L159 HydrophobicContact CG1-CD1 4.26Å; I138-L159 HydrophobicContact CG1-CD2 4.46Å; I138-T310 HydrophobicContact CG2-CG2 4.1Å
139I88.5Confident88.2Confident40 Ų4049.8 Ų49.821%0.20529%0.288CS..Hα-helixtrans-64.2-50175.7-65.7163.9000109.9A135 Q136 Y141 K142 D143 T316A135-I139 WeakPolarHBondContact O-CG1 3.31Å; A135-I139 PolarHBondContact O-N 3.25Å; Q136-I139 WeakPolarHBondContact O-CB 3.46Å; Q136-I139 PolarHBondContact O-N 3.42Å; Q136-I139 VanDerWaalsContact O-N 3.16Å; I139-Y141 PolarHBondContact O-N 3.47Å; I139-K142 PolarHBondContact O-N 2.9Å; I139-K142 VanDerWaalsContact O-N 3.09Å; I139-D143 PolarHBondContact O-N 2.71Å; I139-T316 HydrophobicContact CD1-CG2 3.88Å
140E90.5Very high87.8Confident46 Ų4646.7 Ų46.722%0.21527%0.272CS..Hα-helixtrans-50.8-43.9174.5-75.5169.3-137.700111.6T82 S83 S84 Q136 A144T82-E140 WeakPolarHBondContact CB-OE2 3.25Å; T82-E140 HydrophobicContact CG2-CB 3.87Å; S83-E140 PolarHBondContact N-OE2 2.82Å; S83-E140 PolarHBondContact OG-OE1 3.04Å; S83-E140 PolarHBondContact OG-OE2 2.78Å; S84-E140 VanDerWaalsContact CB-OE1 3.31Å; S84-E140 WeakPolarHBondContact CB-OE1 3.46Å; S84-E140 PolarHBondContact N-OE2 3.15Å; S84-E140 PolarHBondContact OG-OE1 3.42Å; Q136-E140 WeakPolarHBondContact O-CG 3.2Å; Q136-E140 PolarHBondContact O-N 2.79Å; E140-A144 WeakPolarHBondContact O-CB 3.47Å; E140-A144 PolarHBondContact O-N 2.88Å
141Y90.4Very high87.3Confident15 Ų1547.9 Ų47.96%0.05928%0.279CS..Hα-helixtrans-67.5-43.6179.3177.7-121000113.1Q78 L79 G137 I138 I139 D143 A144 C145 V147 T151Q78-Y141 HydrophobicContact CB-CD2 4.05Å; Q78-Y141 HydrophobicContact CB-CE2 3.65Å; L79-Y141 HydrophobicContact CB-CD1 4.18Å; L79-Y141 HydrophobicContact CB-CD2 3.87Å; L79-Y141 HydrophobicContact CB-CE1 4.42Å; L79-Y141 HydrophobicContact CB-CE2 4.18Å; L79-Y141 HydrophobicContact CB-CG 3.88Å; L79-Y141 HydrophobicContact CD1-CD1 4.13Å; L79-Y141 HydrophobicContact CD1-CG 3.85Å; L79-Y141 HydrophobicContact CG-CG 4.4Å; G137-Y141 WeakPolarHBondContact O-CB 3.39Å; G137-Y141 PolarHBondContact O-N 3.46Å; I138-Y141 PolarHBondContact O-N 2.71Å; I139-Y141 PolarHBondContact O-N 3.47Å; Y141-D143 VanDerWaalsContact C-N 3.34Å; Y141-A144 PolarHBondContact O-N 2.85Å; Y141-C145 HydrophobicContact CE2-CB 4.27Å; Y141-C145 PolarHBondContact O-N 2.84Å; Y141-C145 VanDerWaalsContact O-N 3.12Å; Y141-V147 HydrophobicContact CD1-CG2 4.05Å; Y141-V147 HydrophobicContact CE1-CG1 4.47Å; Y141-V147 HydrophobicContact CE1-CG2 3.68Å; Y141-T151 HydrophobicContact CE1-CG2 4.08Å
142K86.3Confident87Confident91 Ų9148.4 Ų48.440%0.39628%0.281SS..Hα-helixtrans-67.7-32.5179-75.3-179.270.9-168.50112.9I138 I139 C145 V147 T310I138-K142 HydrophobicContact CG2-CD 4.26Å; I138-K142 WeakPolarHBondContact O-CG 3.25Å; I138-K142 PolarHBondContact O-N 2.96Å; I139-K142 PolarHBondContact O-N 2.9Å; I139-K142 VanDerWaalsContact O-N 3.09Å; K142-C145 VanDerWaalsContact O-O 3.06Å; K142-V147 HydrophobicContact CG-CG2 3.92Å; K142-T310 HydrophobicContact CD-CG2 4.09Å; K142-T310 PolarHBondContact NZ-O 3.26Å
143D86.6Confident86.9Confident135 Ų13552.6 Ų52.672%0.72230%0.297SS*.Hα-helixtrans-74.6-30.9178-69.1-13.4000111.5I139 Y141I139-D143 PolarHBondContact O-N 2.71Å; Y141-D143 VanDerWaalsContact C-N 3.34Å
144A85.9Confident86.8Confident80 Ų8053 Ų5366%0.66130%0.299SS*.Hα-helixtrans-83.1-26.9-179.300000113.9E140 Y141E140-A144 WeakPolarHBondContact O-CB 3.47Å; E140-A144 PolarHBondContact O-N 2.88Å; Y141-A144 PolarHBondContact O-N 2.85Å
145C81.7Confident86.6Confident49 Ų4953.1 Ų53.133%0.33130%0.3SS..SBendtrans-144.9143-171.5-70.20000111.9Y141 K142 V147Y141-C145 HydrophobicContact CE2-CB 4.27Å; Y141-C145 PolarHBondContact O-N 2.84Å; Y141-C145 VanDerWaalsContact O-N 3.12Å; K142-C145 VanDerWaalsContact O-O 3.06Å; C145-V147 PolarHBondContact O-N 2.83Å
146T77.9Confident86.7Confident143 Ų14354.8 Ų54.888%0.87731%0.307SS*.  trans-67.2115.6165.549.50000109.5
147V77.1Confident87Confident38 Ų3854.5 Ų54.523%0.2330%0.304CS..  trans-84.2116.9177.9-176.20000109.3Y141 K142 C145 T151 N152Y141-V147 HydrophobicContact CD1-CG2 4.05Å; Y141-V147 HydrophobicContact CE1-CG1 4.47Å; Y141-V147 HydrophobicContact CE1-CG2 3.68Å; K142-V147 HydrophobicContact CG-CG2 3.92Å; C145-V147 PolarHBondContact O-N 2.83Å; V147-T151 HydrophobicContact CG1-CG2 3.93Å; V147-N152 HydrophobicContact CG1-CB 4.13Å
148D81.2Confident87.2Confident70 Ų7054.5 Ų54.537%0.37430%0.304SS..  trans-71.9161.2173.770.988.9000111.5V150 T151 N152D148-V150 VanDerWaalsContact C-N 3.3Å; D148-V150 PolarHBondContact O-N 3.27Å; D148-V150 WeakPolarHBondContact OD1-CA 3.43Å; D148-V150 VanDerWaalsContact OD1-CB 3.26Å; D148-V150 WeakPolarHBondContact OD1-CB 3.42Å; D148-V150 PolarHBondContact OD1-N 2.94Å; D148-T151 PolarHBondContact O-N 3.47Å; D148-T151 PolarHBondContact OD1-N 3.47Å; D148-T151 VanDerWaalsContact OD2-CB 3.24Å; D148-T151 WeakPolarHBondContact OD2-CB 3.28Å; D148-T151 PolarHBondContact OD2-OG1 3.32Å; D148-N152 PolarHBondContact O-N 3.41Å
149P82.9Confident87.5Confident105 Ų10554.4 Ų54.468%0.68230%0.303SS*.Hα-helixtrans-58-35.8-177.8-26.635.9000114.7N152 Q153P149-N152 WeakPolarHBondContact O-CB 3.39Å; P149-N152 PolarHBondContact O-N 2.83Å; P149-Q153 WeakPolarHBondContact O-CG 3.49Å; P149-Q153 PolarHBondContact O-N 2.69Å
150V83.9Confident87.9Confident24 Ų2454.9 Ų54.915%0.14531%0.307CS..Hα-helixtrans-69.4-46-178.7-179.20000109.8D148 N152 Q153 N154 M388D148-V150 VanDerWaalsContact C-N 3.3Å; D148-V150 PolarHBondContact O-N 3.27Å; D148-V150 WeakPolarHBondContact OD1-CA 3.43Å; D148-V150 VanDerWaalsContact OD1-CB 3.26Å; D148-V150 WeakPolarHBondContact OD1-CB 3.42Å; D148-V150 PolarHBondContact OD1-N 2.94Å; V150-N152 PolarHBondContact O-N 3.43Å; V150-Q153 PolarHBondContact O-N 3.04Å; V150-Q153 VanDerWaalsContact O-N 3.16Å; V150-N154 PolarHBondContact O-N 3.28Å; V150-M388 VanDerWaalsContact CG1-O 3.23Å; V150-M388 WeakPolarHBondContact CG1-O 3.44Å
151T84.9Confident88.3Confident24 Ų2454.6 Ų54.615%0.14730%0.303CS..Hα-helixtrans-60.6-36.6174.9-61.20000111.8P76 Y141 V147 D148 N154 L155P76-T151 HydrophobicContact CG-CG2 4.05Å; Y141-T151 HydrophobicContact CE1-CG2 4.08Å; V147-T151 HydrophobicContact CG1-CG2 3.93Å; D148-T151 PolarHBondContact O-N 3.47Å; D148-T151 PolarHBondContact OD1-N 3.47Å; D148-T151 VanDerWaalsContact OD2-CB 3.24Å; D148-T151 WeakPolarHBondContact OD2-CB 3.28Å; D148-T151 PolarHBondContact OD2-OG1 3.32Å; T151-N154 PolarHBondContact O-N 2.83Å; T151-L155 VanDerWaalsContact O-CB 3.29Å; T151-L155 WeakPolarHBondContact O-CB 3.27Å; T151-L155 PolarHBondContact O-N 2.86Å
152N86.1Confident88.7Confident43 Ų4353.9 Ų53.923%0.2330%0.301CS..Hα-helixtrans-64.8-42.2175.7-159.6-47.5000112.1V147 D148 P149 V150 L155 Q156 T310V147-N152 HydrophobicContact CG1-CB 4.13Å; D148-N152 PolarHBondContact O-N 3.41Å; P149-N152 WeakPolarHBondContact O-CB 3.39Å; P149-N152 PolarHBondContact O-N 2.83Å; V150-N152 PolarHBondContact O-N 3.43Å; N152-L155 PolarHBondContact O-N 3.07Å; N152-Q156 PolarHBondContact O-N 3.35Å; N152-T310 PolarHBondContact ND2-OG1 3.3Å; N152-T310 PolarHBondContact OD1-OG1 3.34Å
153Q88.4Confident89.3Confident126 Ų12649.7 Ų49.759%0.58928%0.283SS*.Hα-helixtrans-63-44.6174.7-71.4174.2-3.700112P149 V150 L155 Q156 Y157P149-Q153 WeakPolarHBondContact O-CG 3.49Å; P149-Q153 PolarHBondContact O-N 2.69Å; V150-Q153 PolarHBondContact O-N 3.04Å; V150-Q153 VanDerWaalsContact O-N 3.16Å; Q153-L155 VanDerWaalsContact C-N 3.28Å; Q153-L155 PolarHBondContact O-N 3.3Å; Q153-Q156 WeakPolarHBondContact O-CB 3.22Å; Q153-Q156 PolarHBondContact O-N 2.95Å; Q153-Y157 WeakPolarHBondContact O-CB 3.26Å; Q153-Y157 PolarHBondContact O-N 3.49Å
154N90.4Very high89.9Confident23 Ų2343.9 Ų43.912%0.12325%0.251CS..Hα-helixtrans-62.6-38.1176.8-70.6-9.5000111.7V150 T151 F158 H385V150-N154 PolarHBondContact O-N 3.28Å; T151-N154 PolarHBondContact O-N 2.83Å; N154-F158 WeakPolarHBondContact O-CB 3.3Å; N154-F158 PolarHBondContact O-N 3.26Å; N154-H385 PolarHBondContact OD1-O 2.89Å; N154-H385 VanDerWaalsContact OD1-O 3.09Å
155L91.6Very high90.5Very high5 Ų540.2 Ų40.23%0.02622%0.22CC..Hα-helixtrans-66.8-43.3175.3179.761.2000111.9L79 I138 T151 N152 Q153 F158 L159 T310L79-L155 HydrophobicContact CD2-CD1 3.89Å; I138-L155 HydrophobicContact CD1-CD1 3.56Å; I138-L155 HydrophobicContact CD1-CD2 4.16Å; I138-L155 HydrophobicContact CD1-CG 4.45Å; I138-L155 HydrophobicContact CG1-CD1 4.36Å; I138-L155 HydrophobicContact CG1-CD2 4.42Å; I138-L155 HydrophobicContact CG2-CD2 3.68Å; T151-L155 VanDerWaalsContact O-CB 3.29Å; T151-L155 WeakPolarHBondContact O-CB 3.27Å; T151-L155 PolarHBondContact O-N 2.86Å; N152-L155 PolarHBondContact O-N 3.07Å; Q153-L155 VanDerWaalsContact C-N 3.28Å; Q153-L155 PolarHBondContact O-N 3.3Å; L155-F158 HydrophobicContact CD1-CD1 4.29Å; L155-F158 PolarHBondContact O-N 3.3Å; L155-L159 HydrophobicContact CD1-CD1 3.86Å; L155-L159 HydrophobicContact CD1-CD2 4.47Å; L155-L159 HydrophobicContact CD1-CG 3.92Å; L155-L159 HydrophobicContact CD2-CD1 4.47Å; L155-L159 HydrophobicContact CG-CD1 3.83Å; L155-L159 HydrophobicContact CG-CG 4.31Å; L155-L159 WeakPolarHBondContact O-CB 3.45Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.3Å; L155-L159 PolarHBondContact O-N 3.39Å; L155-T310 HydrophobicContact CD2-CG2 3.8Å
156Q93.7Very high91.2Very high36 Ų3639.2 Ų39.217%0.16821%0.21CC..Hα-helixtrans-58.7-49.2174.8-177.663.439.600111.1N152 Q153 F158 L159 D160 F307 S308 Y309N152-Q156 PolarHBondContact O-N 3.35Å; Q153-Q156 WeakPolarHBondContact O-CB 3.22Å; Q153-Q156 PolarHBondContact O-N 2.95Å; Q156-F158 VanDerWaalsContact C-N 3.33Å; Q156-F158 PolarHBondContact O-N 3.12Å; Q156-L159 PolarHBondContact O-N 2.98Å; Q156-D160 PolarHBondContact NE2-OD1 3.44Å; Q156-D160 PolarHBondContact NE2-OD2 3Å; Q156-D160 PolarHBondContact O-N 3.05Å; Q156-F307 PolarHBondContact NE2-O 3.32Å; Q156-S308 VanDerWaalsContact OE1-CA 3.31Å; Q156-Y309 VanDerWaalsContact NE2-CE2 3.3Å; Q156-Y309 VanDerWaalsContact OE1-CD2 3.31Å; Q156-Y309 VanDerWaalsContact OE1-N 3.12Å
157Y95.6Very high92.2Very high49 Ų4932.7 Ų32.719%0.19217%0.169CC..Hα-helixtrans-57.2-45.3177.2175.5-98.5000112Q153 R161 H385 Y386Q153-Y157 WeakPolarHBondContact O-CB 3.26Å; Q153-Y157 PolarHBondContact O-N 3.49Å; Y157-R161 WeakPolarHBondContact O-CD 3.39Å; Y157-R161 VanDerWaalsContact O-CG 3.25Å; Y157-R161 WeakPolarHBondContact O-CG 3.44Å; Y157-R161 PolarHBondContact O-N 2.87Å; Y157-R161 PolarHBondContact OH-NH1 3.4Å; Y157-R161 VanDerWaalsContact OH-NH1 3.16Å; Y157-H385 HydrophobicContact CD1-CB 4.03Å; Y157-H385 HydrophobicContact CE1-CB 3.72Å; Y157-H385 HydrophobicContact CE2-CB 4.36Å; Y157-H385 AromaticContact CE2-CD2 3.81Å; Y157-H385 AromaticContact CE2-CG 3.87Å; Y157-H385 HydrophobicContact CG-CB 4.48Å; Y157-H385 AromaticContact CZ-CD2 3.66Å; Y157-H385 AromaticContact CZ-CG 3.77Å; Y157-Y386 HydrophobicContact CD1-CE1 4.22Å; Y157-Y386 HydrophobicContact CD1-CE2 4.04Å; Y157-Y386 AromaticContact CD1-CZ 3.72Å; Y157-Y386 HydrophobicContact CE1-CD2 4.47Å; Y157-Y386 AromaticContact CE1-CE2 3.68Å; Y157-Y386 HydrophobicContact CE1-CE2 3.68Å; Y157-Y386 AromaticContact CE1-CZ 3.8Å
158F96.6Very high93.2Very high0 Ų030.9 Ų30.90%016%0.158CC..Hα-helixtrans-62.2-50.4175.5167.5-106.8000112.6I68 E71 I72 L75 M134 N154 L155 Q156 D160 R161 F162 Y386I68-F158 HydrophobicContact CD1-CE2 4.31Å; E71-F158 HydrophobicContact CB-CD2 4.16Å; E71-F158 HydrophobicContact CB-CE2 4.29Å; I72-F158 HydrophobicContact CG1-CE2 3.7Å; I72-F158 HydrophobicContact CG1-CZ 3.67Å; L75-F158 HydrophobicContact CD1-CD1 3.92Å; L75-F158 HydrophobicContact CD1-CD2 4.26Å; L75-F158 HydrophobicContact CD1-CE1 3.69Å; L75-F158 HydrophobicContact CD1-CE2 4.05Å; L75-F158 HydrophobicContact CD1-CG 4.21Å; L75-F158 HydrophobicContact CD1-CZ 3.77Å; L75-F158 HydrophobicContact CD2-CB 3.95Å; L75-F158 HydrophobicContact CD2-CD1 4Å; L75-F158 HydrophobicContact CD2-CD2 4.05Å; L75-F158 HydrophobicContact CD2-CG 3.71Å; L75-F158 HydrophobicContact CG-CD2 4.42Å; L75-F158 HydrophobicContact CG-CG 4.43Å; M134-F158 HydrophobicContact CE-CE1 4.31Å; M134-F158 HydrophobicContact CE-CZ 4.34Å; M134-F158 HydrophobicContact SD-CE1 4.29Å; N154-F158 WeakPolarHBondContact O-CB 3.3Å; N154-F158 PolarHBondContact O-N 3.26Å; L155-F158 HydrophobicContact CD1-CD1 4.29Å; L155-F158 PolarHBondContact O-N 3.3Å; Q156-F158 VanDerWaalsContact C-N 3.33Å; Q156-F158 PolarHBondContact O-N 3.12Å; F158-D160 VanDerWaalsContact C-N 3.34Å; F158-D160 PolarHBondContact O-N 3.41Å; F158-R161 PolarHBondContact O-N 3.05Å; F158-R161 VanDerWaalsContact O-N 3.17Å; F158-F162 HydrophobicContact CD2-CB 4.5Å; F158-F162 HydrophobicContact CE1-CB 4.19Å; F158-F162 HydrophobicContact CE1-CG 4.34Å; F158-F162 HydrophobicContact CE2-CB 4.04Å; F158-F162 HydrophobicContact CE2-CD2 4.26Å; F158-F162 HydrophobicContact CE2-CG 4.45Å; F158-F162 HydrophobicContact CZ-CB 3.85Å; F158-F162 AromaticContact CZ-CD2 3.8Å; F158-F162 HydrophobicContact CZ-CD2 3.8Å; F158-F162 AromaticContact CZ-CG 3.9Å; F158-F162 HydrophobicContact CZ-CG 3.9Å; F158-F162 VanDerWaalsContact O-CB 3.27Å; F158-F162 WeakPolarHBondContact O-CB 3.43Å; F158-F162 PolarHBondContact O-N 2.89Å; F158-Y386 HydrophobicContact CB-CE1 4.01Å
159L97.2Very high94.1Very high0 Ų027.7 Ų27.70%014%0.142CC..Hα-helixtrans-65-39.3-174.2-71171.9000111.6M134 I138 L155 Q156 R161 F162 Y163 Y309M134-L159 HydrophobicContact CG-CD2 3.85Å; M134-L159 HydrophobicContact SD-CD2 4.46Å; I138-L159 HydrophobicContact CG1-CD1 4.26Å; I138-L159 HydrophobicContact CG1-CD2 4.46Å; L155-L159 HydrophobicContact CD1-CD1 3.86Å; L155-L159 HydrophobicContact CD1-CD2 4.47Å; L155-L159 HydrophobicContact CD1-CG 3.92Å; L155-L159 HydrophobicContact CD2-CD1 4.47Å; L155-L159 HydrophobicContact CG-CD1 3.83Å; L155-L159 HydrophobicContact CG-CG 4.31Å; L155-L159 WeakPolarHBondContact O-CB 3.45Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.3Å; L155-L159 PolarHBondContact O-N 3.39Å; Q156-L159 PolarHBondContact O-N 2.98Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-R161 PolarHBondContact O-N 3.4Å; L159-F162 PolarHBondContact O-N 3.21Å; L159-Y163 HydrophobicContact CB-CD2 4.29Å; L159-Y163 HydrophobicContact CB-CE2 4.13Å; L159-Y163 HydrophobicContact CD2-CE2 3.87Å; L159-Y163 WeakPolarHBondContact O-CB 3.4Å; L159-Y163 WeakPolarHBondContact O-CD2 3.44Å; L159-Y163 PolarHBondContact O-N 3.5Å; L159-Y309 HydrophobicContact CB-CD2 3.39Å; L159-Y309 HydrophobicContact CB-CE2 3.38Å; L159-Y309 HydrophobicContact CB-CG 4.06Å; L159-Y309 VanDerWaalsContact CD1-CB 3.46Å; L159-Y309 HydrophobicContact CD1-CD1 4.4Å; L159-Y309 HydrophobicContact CD1-CD2 3.58Å; L159-Y309 HydrophobicContact CD1-CE2 4.41Å; L159-Y309 HydrophobicContact CD1-CG 3.57Å; L159-Y309 HydrophobicContact CG-CD2 4.14Å; L159-Y309 HydrophobicContact CG-CG 4.45Å
160D97.9Very high94.8Very high51 Ų5126.8 Ų26.827%0.27312%0.124SC..Hα-helixtrans-56.1-47.1173.8-79.2-21.7000110.9Q156 F158 M164 Y309 L339Q156-D160 PolarHBondContact NE2-OD1 3.44Å; Q156-D160 PolarHBondContact NE2-OD2 3Å; Q156-D160 PolarHBondContact O-N 3.05Å; F158-D160 VanDerWaalsContact C-N 3.34Å; F158-D160 PolarHBondContact O-N 3.41Å; D160-M164 WeakPolarHBondContact O-CB 3.07Å; D160-M164 PolarHBondContact O-N 3.01Å; D160-Y309 VanDerWaalsContact OD1-CE2 3.32Å; D160-Y309 WeakPolarHBondContact OD1-CE2 3.38Å; D160-Y309 PolarHBondContact OD1-OH 2.9Å; D160-L339 HydrophobicContact CB-CD2 4.08Å; D160-L339 WeakPolarHBondContact O-CD1 3.4Å
161R98.4Very high95.4Very high39 Ų3925.7 Ų25.715%0.14712%0.118CC..Hα-helixtrans-71.1-42.5-179.6-66.8171.663.786.83.7112.2E71 Y157 F158 L159 Y163 M164 N165 P376 V377E71-R161 VanDerWaalsContact CD-NE 3.33Å; E71-R161 IonicContact OE1-CZ 3.45Å; E71-R161 IonicContact OE1-NE 3.49Å; E71-R161 PolarHBondContact OE1-NE 3.31Å; E71-R161 VanDerWaalsContact OE1-NE 3.14Å; E71-R161 IonicContact OE1-NH2 3.34Å; E71-R161 PolarHBondContact OE1-NH2 3.24Å; E71-R161 WeakPolarHBondContact OE2-CD 3.34Å; E71-R161 IonicContact OE2-CZ 3.64Å; E71-R161 IonicContact OE2-NE 3.4Å; E71-R161 PolarHBondContact OE2-NE 3.05Å; E71-R161 IonicContact OE2-NH2 2.75Å; Y157-R161 WeakPolarHBondContact O-CD 3.39Å; Y157-R161 VanDerWaalsContact O-CG 3.25Å; Y157-R161 WeakPolarHBondContact O-CG 3.44Å; Y157-R161 PolarHBondContact O-N 2.87Å; Y157-R161 PolarHBondContact OH-NH1 3.4Å; Y157-R161 VanDerWaalsContact OH-NH1 3.16Å; F158-R161 PolarHBondContact O-N 3.05Å; F158-R161 VanDerWaalsContact O-N 3.17Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-R161 PolarHBondContact O-N 3.4Å; R161-Y163 PolarHBondContact O-N 2.92Å; R161-M164 PolarHBondContact O-N 3Å; R161-N165 WeakPolarHBondContact O-CB 3.4Å; R161-N165 PolarHBondContact O-N 2.82Å; R161-P376 HydrophobicContact CB-CB 3.82Å; R161-P376 HydrophobicContact CB-CG 4.45Å; R161-P376 HydrophobicContact CG-CB 4.07Å; R161-P376 WeakPolarHBondContact O-CG 3.38Å; R161-V377 PolarHBondContact NH2-O 3.23Å
162F98.5Very high96Very high0 Ų024.8 Ų24.80%011%0.112CC..Hα-helixtrans-59-49.2178.1176.6-101000111.6I68 I72 V88 Y92 V130 M134 F158 L159 N165 R166I68-F162 VanDerWaalsContact CD1-CA 3.49Å; I68-F162 HydrophobicContact CD1-CB 4.01Å; I68-F162 HydrophobicContact CD1-CD2 4.28Å; I68-F162 HydrophobicContact CG1-CB 4.26Å; I68-F162 HydrophobicContact CG1-CD2 3.61Å; I68-F162 HydrophobicContact CG1-CE2 4.46Å; I68-F162 HydrophobicContact CG1-CG 4.4Å; I72-F162 HydrophobicContact CD1-CD2 4.38Å; I72-F162 HydrophobicContact CD1-CE2 4.09Å; V88-F162 HydrophobicContact CG1-CE2 4.25Å; V88-F162 HydrophobicContact CG1-CZ 3.76Å; Y92-F162 HydrophobicContact CE1-CE2 4.39Å; Y92-F162 AromaticContact CE2-CE2 3.83Å; Y92-F162 HydrophobicContact CE2-CE2 3.83Å; Y92-F162 AromaticContact CE2-CZ 3.82Å; Y92-F162 HydrophobicContact CE2-CZ 3.82Å; Y92-F162 AromaticContact CZ-CE2 3.69Å; Y92-F162 AromaticContact CZ-CZ 3.92Å; V130-F162 HydrophobicContact CG1-CE1 3.59Å; V130-F162 HydrophobicContact CG1-CZ 3.43Å; V130-F162 VanDerWaalsContact CG1-CZ 3.43Å; M134-F162 HydrophobicContact CB-CE1 4.22Å; M134-F162 HydrophobicContact CE-CE1 4.04Å; M134-F162 HydrophobicContact CE-CE2 4.16Å; M134-F162 HydrophobicContact CE-CZ 3.84Å; M134-F162 HydrophobicContact CG-CD1 4.41Å; M134-F162 HydrophobicContact CG-CE1 4.09Å; F158-F162 HydrophobicContact CD2-CB 4.5Å; F158-F162 HydrophobicContact CE1-CB 4.19Å; F158-F162 HydrophobicContact CE1-CG 4.34Å; F158-F162 HydrophobicContact CE2-CB 4.04Å; F158-F162 HydrophobicContact CE2-CD2 4.26Å; F158-F162 HydrophobicContact CE2-CG 4.45Å; F158-F162 HydrophobicContact CZ-CB 3.85Å; F158-F162 AromaticContact CZ-CD2 3.8Å; F158-F162 HydrophobicContact CZ-CD2 3.8Å; F158-F162 AromaticContact CZ-CG 3.9Å; F158-F162 HydrophobicContact CZ-CG 3.9Å; F158-F162 VanDerWaalsContact O-CB 3.27Å; F158-F162 WeakPolarHBondContact O-CB 3.43Å; F158-F162 PolarHBondContact O-N 2.89Å; L159-F162 PolarHBondContact O-N 3.21Å; F162-N165 PolarHBondContact O-N 2.9Å; F162-R166 PolarHBondContact O-N 3.34Å
163Y98.4Very high96.6Very high4 Ų423 Ų232%0.01610%0.102CC..Hα-helixtrans-73.7-33.5179.1-67.2-52.6000112.8V131 M134 L159 R161 N165 R166 I167 Y309 Y332 L339V131-Y163 HydrophobicContact CB-CE1 4.2Å; V131-Y163 HydrophobicContact CG1-CE1 4.23Å; V131-Y163 HydrophobicContact CG2-CD1 4.07Å; V131-Y163 HydrophobicContact CG2-CE1 3.77Å; V131-Y163 PolarHBondContact O-OH 3.41Å; M134-Y163 WeakPolarHBondContact CB-OH 3.38Å; M134-Y163 WeakPolarHBondContact CG-OH 3.43Å; L159-Y163 HydrophobicContact CB-CD2 4.29Å; L159-Y163 HydrophobicContact CB-CE2 4.13Å; L159-Y163 HydrophobicContact CD2-CE2 3.87Å; L159-Y163 WeakPolarHBondContact O-CB 3.4Å; L159-Y163 WeakPolarHBondContact O-CD2 3.44Å; L159-Y163 PolarHBondContact O-N 3.5Å; R161-Y163 PolarHBondContact O-N 2.92Å; Y163-N165 PolarHBondContact O-N 3.36Å; Y163-R166 PolarHBondContact O-N 3.25Å; Y163-I167 WeakPolarHBondContact O-CG1 3.46Å; Y163-I167 PolarHBondContact O-N 3.45Å; Y163-Y309 AromaticContact CD2-CE1 3.86Å; Y163-Y309 HydrophobicContact CD2-CE1 3.86Å; Y163-Y309 AromaticContact CD2-CZ 3.79Å; Y163-Y309 HydrophobicContact CE2-CD1 4.36Å; Y163-Y309 AromaticContact CE2-CE1 3.85Å; Y163-Y309 HydrophobicContact CE2-CE1 3.85Å; Y163-Y332 AromaticContact CE2-CD1 3.8Å; Y163-Y332 HydrophobicContact CE2-CD1 3.8Å; Y163-Y332 AromaticContact CE2-CE1 3.56Å; Y163-Y332 HydrophobicContact CE2-CE1 3.56Å; Y163-Y332 AromaticContact CZ-CD1 3.95Å; Y163-Y332 AromaticContact CZ-CE1 3.71Å; Y163-Y332 WeakPolarHBondContact OH-CE1 3.18Å; Y163-L339 VanDerWaalsContact CB-CD1 3.44Å
164M98.7Very high96.9Very high13 Ų1318.3 Ų18.36%0.0648%0.081CC..Hα-helixtrans-59.3-46.6171.1-170.968.775.600111.3D160 R161 R166 I167 S168 L339 K342 Y343 K374D160-M164 WeakPolarHBondContact O-CB 3.07Å; D160-M164 PolarHBondContact O-N 3.01Å; R161-M164 PolarHBondContact O-N 3Å; M164-R166 VanDerWaalsContact C-N 3.3Å; M164-R166 PolarHBondContact O-N 3.17Å; M164-I167 PolarHBondContact O-N 3.25Å; M164-S168 PolarHBondContact O-N 3.5Å; M164-L339 HydrophobicContact CE-CB 4.13Å; M164-L339 HydrophobicContact CE-CD2 3.69Å; M164-L339 HydrophobicContact CE-CG 4.49Å; M164-K342 HydrophobicContact CE-CB 3.87Å; M164-Y343 HydrophobicContact SD-CD2 3.85Å; M164-Y343 HydrophobicContact SD-CG 4.25Å; M164-K374 WeakPolarHBondContact CG-O 3.38Å
165N98.5Very high97.1Very high2 Ų217.8 Ų17.81%0.0118%0.078CC..Hα-helixtrans-60.7-40.7175.7-168.848.2000111.9R64 I68 R161 F162 Y163 S168 T169 P376R64-N165 WeakPolarHBondContact CB-OD1 3.22Å; R64-N165 PolarHBondContact O-ND2 3.4Å; R64-N165 PolarHBondContact O-OD1 2.94Å; I68-N165 HydrophobicContact CB-CB 4.42Å; I68-N165 WeakPolarHBondContact CB-ND2 3.21Å; I68-N165 WeakPolarHBondContact CG2-ND2 3.49Å; R161-N165 WeakPolarHBondContact O-CB 3.4Å; R161-N165 PolarHBondContact O-N 2.82Å; F162-N165 PolarHBondContact O-N 2.9Å; Y163-N165 PolarHBondContact O-N 3.36Å; N165-S168 PolarHBondContact O-N 3.09Å; N165-S168 PolarHBondContact O-OG 3.44Å; N165-T169 WeakPolarHBondContact O-CG2 3.26Å; N165-T169 PolarHBondContact O-N 3.13Å; N165-T169 PolarHBondContact O-OG1 3.2Å; N165-P376 HydrophobicContact CB-CG 3.8Å
166R98Very high97.2Very high29 Ų2917.6 Ų17.611%0.1098%0.077CC..Hα-helixtrans-64.4-42.4177.4-172.5-178.1177.4-84.55.2112.6H127 H128 F162 Y163 M164 S168 T169 R170H127-R166 PolarHBondContact O-NE 3.4Å; H127-R166 PolarHBondContact O-NH2 3.33Å; H128-R166 PolarHBondContact O-NH2 2.91Å; F162-R166 PolarHBondContact O-N 3.34Å; Y163-R166 PolarHBondContact O-N 3.25Å; M164-R166 VanDerWaalsContact C-N 3.3Å; M164-R166 PolarHBondContact O-N 3.17Å; R166-S168 VanDerWaalsContact C-N 3.27Å; R166-S168 PolarHBondContact O-N 3.47Å; R166-T169 PolarHBondContact O-OG1 3.41Å; R166-R170 VanDerWaalsContact O-CB 3.25Å; R166-R170 WeakPolarHBondContact O-CB 3.46Å; R166-R170 PolarHBondContact O-N 3.35Å
167I98.4Very high97.3Very high6 Ų616.1 Ų16.13%0.0317%0.07CC..Hα-helixtrans-57.9-46.8173.5-69.1165.1000108.9Y163 M164 R170 M171 L339 Y340 Y343Y163-I167 WeakPolarHBondContact O-CG1 3.46Å; Y163-I167 PolarHBondContact O-N 3.45Å; M164-I167 PolarHBondContact O-N 3.25Å; I167-R170 PolarHBondContact O-N 3.01Å; I167-M171 WeakPolarHBondContact O-CB 3.48Å; I167-M171 PolarHBondContact O-N 2.79Å; I167-L339 HydrophobicContact CD1-CB 3.9Å; I167-Y340 HydrophobicContact CB-CE1 4.48Å; I167-Y340 HydrophobicContact CD1-CD1 3.97Å; I167-Y340 HydrophobicContact CD1-CD2 4.15Å; I167-Y340 HydrophobicContact CD1-CE1 4.02Å; I167-Y340 HydrophobicContact CD1-CE2 4.21Å; I167-Y340 HydrophobicContact CD1-CG 4.05Å; I167-Y340 HydrophobicContact CG1-CD1 4.25Å; I167-Y340 HydrophobicContact CG1-CE1 3.83Å; I167-Y340 HydrophobicContact CG1-CE2 4.46Å; I167-Y340 HydrophobicContact CG2-CD1 4.02Å; I167-Y340 HydrophobicContact CG2-CE1 3.88Å; I167-Y343 HydrophobicContact CG2-CD1 3.66Å; I167-Y343 HydrophobicContact CG2-CD2 4.22Å; I167-Y343 HydrophobicContact CG2-CE1 3.9Å; I167-Y343 HydrophobicContact CG2-CE2 4.48Å; I167-Y343 HydrophobicContact CG2-CG 3.81Å
168S98.4Very high97.2Very high0 Ų016.7 Ų16.70%08%0.076CC..Hα-helixtrans-65.3-44.9-176.790.90000114R64 M164 N165 R166 R170 M171 L172 Y343R64-S168 PolarHBondContact NH1-OG 2.81Å; R64-S168 VanDerWaalsContact NH1-OG 3.07Å; M164-S168 PolarHBondContact O-N 3.5Å; N165-S168 PolarHBondContact O-N 3.09Å; N165-S168 PolarHBondContact O-OG 3.44Å; R166-S168 VanDerWaalsContact C-N 3.27Å; R166-S168 PolarHBondContact O-N 3.47Å; S168-R170 VanDerWaalsContact C-N 3.35Å; S168-R170 PolarHBondContact O-N 2.98Å; S168-M171 WeakPolarHBondContact O-CB 3.13Å; S168-M171 PolarHBondContact O-N 3.35Å; S168-L172 PolarHBondContact O-N 3.32Å; S168-L172 VanDerWaalsContact O-N 3.08Å; S168-Y343 WeakPolarHBondContact CA-OH 3.47Å
169T98.3Very high96.9Very high3 Ų318.9 Ų18.92%0.0189%0.087CC..Hα-helixtrans-68.2-37.4178.348.90000111L61 R64 L65 N165 R166 M173L61-T169 HydrophobicContact CD2-CG2 4.23Å; R64-T169 HydrophobicContact CB-CG2 3.79Å; L65-T169 HydrophobicContact CD2-CG2 4.34Å; N165-T169 WeakPolarHBondContact O-CG2 3.26Å; N165-T169 PolarHBondContact O-N 3.13Å; N165-T169 PolarHBondContact O-OG1 3.2Å; R166-T169 PolarHBondContact O-OG1 3.41Å; T169-M173 WeakPolarHBondContact O-CB 3.33Å; T169-M173 WeakPolarHBondContact O-CE 3.41Å; T169-M173 VanDerWaalsContact O-CG 3.28Å; T169-M173 WeakPolarHBondContact O-CG 3.19Å; T169-M173 PolarHBondContact O-N 3.36Å
170R97.7Very high96.7Very high86 Ų8620.5 Ų20.533%0.3259%0.094SC..Hα-helixtrans-63.7-40.2172.5-175.8177.6179.992-1.9111.7R166 I167 S168 N174R166-R170 VanDerWaalsContact O-CB 3.25Å; R166-R170 WeakPolarHBondContact O-CB 3.46Å; R166-R170 PolarHBondContact O-N 3.35Å; I167-R170 PolarHBondContact O-N 3.01Å; S168-R170 VanDerWaalsContact C-N 3.35Å; S168-R170 PolarHBondContact O-N 2.98Å; R170-N174 WeakPolarHBondContact O-CB 3.43Å; R170-N174 PolarHBondContact O-N 3.27Å; R170-N174 PolarHBondContact O-ND2 3.04Å
171M97.8Very high96.1Very high1 Ų119 Ų191%0.0059%0.088CC..Hα-helixtrans-58.6-54.1176.3-177.862.7-175.900110.8L40 I167 S168 M173 N174 Q175 I194 V244 Y343 F344L40-M171 HydrophobicContact CD1-CE 3.74Å; I167-M171 WeakPolarHBondContact O-CB 3.48Å; I167-M171 PolarHBondContact O-N 2.79Å; S168-M171 WeakPolarHBondContact O-CB 3.13Å; S168-M171 PolarHBondContact O-N 3.35Å; M171-M173 PolarHBondContact O-N 3.47Å; M171-N174 PolarHBondContact O-N 3.28Å; M171-Q175 HydrophobicContact CE-CG 3.96Å; M171-Q175 VanDerWaalsContact O-CG 3.28Å; M171-Q175 WeakPolarHBondContact O-CG 3.35Å; M171-Q175 PolarHBondContact O-N 2.85Å; M171-Q175 HydrophobicContact SD-CG 4.42Å; M171-I194 HydrophobicContact CE-CD1 3.73Å; M171-I194 HydrophobicContact CE-CG1 3.73Å; M171-V244 HydrophobicContact CE-CG2 3.62Å; M171-V244 HydrophobicContact SD-CG2 3.94Å; M171-Y343 HydrophobicContact CB-CE1 4.23Å; M171-Y343 VanDerWaalsContact CB-OH 3.26Å; M171-Y343 WeakPolarHBondContact CB-OH 3.4Å; M171-Y343 HydrophobicContact CG-CE1 4.22Å; M171-Y343 WeakPolarHBondContact CG-OH 3.33Å; M171-F344 HydrophobicContact CE-CZ 4.24Å
172L97.9Very high94.9Very high5 Ų525.2 Ų25.23%0.02612%0.124CC..Hα-helixtrans-60.6-47.1179.9-70.6-173000113.2L35 F56 L57 E60 L61 S168 Q175 H176L35-L172 HydrophobicContact CD1-CD2 3.9Å; F56-L172 HydrophobicContact CE1-CD1 4.29Å; F56-L172 HydrophobicContact CE1-CD2 4.27Å; L57-L172 HydrophobicContact CD2-CB 3.71Å; L57-L172 HydrophobicContact CD2-CD1 3.8Å; L57-L172 HydrophobicContact CD2-CD2 4.23Å; L57-L172 HydrophobicContact CD2-CG 4.13Å; E60-L172 HydrophobicContact CG-CD1 3.88Å; L61-L172 HydrophobicContact CD2-CB 4.17Å; L61-L172 HydrophobicContact CD2-CD1 4.2Å; S168-L172 PolarHBondContact O-N 3.32Å; S168-L172 VanDerWaalsContact O-N 3.08Å; L172-Q175 PolarHBondContact O-N 2.96Å; L172-H176 PolarHBondContact O-N 3.41Å
173M97.2Very high93.2Very high5 Ų528 Ų283%0.02514%0.144CC..Hα-helixtrans-62.9-43.8178.4-71.1-172.8-70.200111.6L61 L120 V123 T169 M171 Q175 H176 I177L61-M173 HydrophobicContact CD1-CG 3.96Å; L61-M173 HydrophobicContact CD2-CG 4.18Å; L120-M173 HydrophobicContact CD2-CG 4.13Å; L120-M173 HydrophobicContact CD2-SD 4.46Å; V123-M173 HydrophobicContact CB-SD 4.14Å; V123-M173 HydrophobicContact CG1-CE 4.23Å; V123-M173 HydrophobicContact CG1-SD 3.66Å; T169-M173 WeakPolarHBondContact O-CB 3.33Å; T169-M173 WeakPolarHBondContact O-CE 3.41Å; T169-M173 VanDerWaalsContact O-CG 3.28Å; T169-M173 WeakPolarHBondContact O-CG 3.19Å; T169-M173 PolarHBondContact O-N 3.36Å; M171-M173 PolarHBondContact O-N 3.47Å; M173-Q175 VanDerWaalsContact C-N 3.35Å; M173-Q175 PolarHBondContact O-N 3.19Å; M173-H176 PolarHBondContact O-N 2.94Å; M173-I177 HydrophobicContact CB-CD1 4.43Å; M173-I177 WeakPolarHBondContact O-CB 3.42Å; M173-I177 WeakPolarHBondContact O-CD1 3.39Å; M173-I177 WeakPolarHBondContact O-CG1 3.34Å; M173-I177 PolarHBondContact O-N 2.61Å
174N95.1Very high91.4Very high27 Ų2737.2 Ų37.214%0.14419%0.187CC..Hα-helixtrans-65.3-39.1179.6-76.2-11.9000112R124 R170 M171 L178R124-N174 VanDerWaalsContact CD-OD1 3.3Å; R124-N174 WeakPolarHBondContact CD-OD1 3.48Å; R170-N174 WeakPolarHBondContact O-CB 3.43Å; R170-N174 PolarHBondContact O-N 3.27Å; R170-N174 PolarHBondContact O-ND2 3.04Å; M171-N174 PolarHBondContact O-N 3.28Å; N174-L178 HydrophobicContact CB-CD1 4.45Å; N174-L178 VanDerWaalsContact O-CB 3.22Å; N174-L178 WeakPolarHBondContact O-CB 3.49Å; N174-L178 WeakPolarHBondContact O-CD1 3.32Å; N174-L178 WeakPolarHBondContact O-CG 3.32Å; N174-L178 PolarHBondContact O-N 2.91Å
175Q94.4Very high89.6Confident12 Ų1241.4 Ų41.46%0.05621%0.214CC..Hα-helixtrans-58.4-50.7175.4-75.2-68.2-33.700111.3M171 L172 M173 I179 I191 S193M171-Q175 HydrophobicContact CE-CG 3.96Å; M171-Q175 VanDerWaalsContact O-CG 3.28Å; M171-Q175 WeakPolarHBondContact O-CG 3.35Å; M171-Q175 PolarHBondContact O-N 2.85Å; M171-Q175 HydrophobicContact SD-CG 4.42Å; L172-Q175 PolarHBondContact O-N 2.96Å; M173-Q175 VanDerWaalsContact C-N 3.35Å; M173-Q175 PolarHBondContact O-N 3.19Å; Q175-I179 WeakPolarHBondContact O-CB 3.14Å; Q175-I179 WeakPolarHBondContact O-CD1 3.33Å; Q175-I179 WeakPolarHBondContact O-CG1 3.23Å; Q175-I179 PolarHBondContact O-N 3.42Å; Q175-I179 VanDerWaalsContact O-N 3.12Å; Q175-I191 PolarHBondContact NE2-O 3.48Å; Q175-I191 PolarHBondContact OE1-O 2.82Å; Q175-S193 PolarHBondContact NE2-OG 2.9Å
176H95.3Very high88Confident1 Ų143.9 Ų43.91%0.00524%0.239CC..Hα-helixtrans-63.3-47.8179.1-169.290000112.6S53 L57 F116 L120 L172 M173 L178 I179 F180S53-H176 WeakPolarHBondContact CB-ND1 3.11Å; S53-H176 PolarHBondContact OG-ND1 3.15Å; L57-H176 HydrophobicContact CD1-CB 3.5Å; L57-H176 VanDerWaalsContact CD1-CB 3.5Å; F116-H176 AromaticContact CD1-NE2 3.68Å; L120-H176 HydrophobicContact CD1-CB 3.87Å; L172-H176 PolarHBondContact O-N 3.41Å; M173-H176 PolarHBondContact O-N 2.94Å; H176-L178 PolarHBondContact O-N 2.91Å; H176-I179 PolarHBondContact O-N 2.95Å; H176-F180 AromaticContact CE1-CD2 3.74Å; H176-F180 AromaticContact CG-CD2 3.95Å; H176-F180 AromaticContact ND1-CD2 3.61Å; H176-F180 AromaticContact ND1-CE2 3.91Å; H176-F180 WeakPolarHBondContact O-CD2 3.43Å; H176-F180 PolarHBondContact O-N 3.2Å
177I94.6Very high87Confident5 Ų546.1 Ų46.13%0.02625%0.253CS..Hα-helixtrans-61.3-47.3-179.7-65.7163.3000110.3L120 I121 M173 I179 S181L120-I177 HydrophobicContact CB-CD1 3.89Å; L120-I177 HydrophobicContact CB-CG1 3.98Å; L120-I177 HydrophobicContact CD1-CG1 4.48Å; I121-I177 HydrophobicContact CD1-CG2 4.35Å; I121-I177 HydrophobicContact CG1-CD1 3.85Å; I121-I177 HydrophobicContact CG1-CG1 4.06Å; I121-I177 HydrophobicContact CG1-CG2 4.06Å; M173-I177 HydrophobicContact CB-CD1 4.43Å; M173-I177 WeakPolarHBondContact O-CB 3.42Å; M173-I177 WeakPolarHBondContact O-CD1 3.39Å; M173-I177 WeakPolarHBondContact O-CG1 3.34Å; M173-I177 PolarHBondContact O-N 2.61Å; I177-I179 VanDerWaalsContact C-N 3.33Å; I177-I179 PolarHBondContact O-N 2.92Å; I177-S181 WeakPolarHBondContact O-CB 3.49Å; I177-S181 PolarHBondContact O-N 2.98Å; I177-S181 PolarHBondContact O-OG 2.99Å
178L92.9Very high86.1Confident61 Ų6151.9 Ų51.932%0.31929%0.291SS..Hα-helixtrans-70-28.2-175.6-70.9169000113.4N174 H176 T185N174-L178 HydrophobicContact CB-CD1 4.45Å; N174-L178 VanDerWaalsContact O-CB 3.22Å; N174-L178 WeakPolarHBondContact O-CB 3.49Å; N174-L178 WeakPolarHBondContact O-CD1 3.32Å; N174-L178 WeakPolarHBondContact O-CG 3.32Å; N174-L178 PolarHBondContact O-N 2.91Å; H176-L178 PolarHBondContact O-N 2.91Å; L178-T185 WeakPolarHBondContact CD2-O 3.34Å
179I91.6Very high85.5Confident46 Ų4656.1 Ų56.124%0.23632%0.317CS..Hα-helixtrans-84.5-37.9179.7-63.9169.6000111.5A48 Q175 H176 I177A48-I179 HydrophobicContact CB-CG2 4.22Å; Q175-I179 WeakPolarHBondContact O-CB 3.14Å; Q175-I179 WeakPolarHBondContact O-CD1 3.33Å; Q175-I179 WeakPolarHBondContact O-CG1 3.23Å; Q175-I179 PolarHBondContact O-N 3.42Å; Q175-I179 VanDerWaalsContact O-N 3.12Å; H176-I179 PolarHBondContact O-N 2.95Å; I177-I179 VanDerWaalsContact C-N 3.33Å; I177-I179 PolarHBondContact O-N 2.92Å
180F91.9Very high85.2Confident34 Ų3458.2 Ų58.215%0.14933%0.327CS..Hα-helixtrans-114.9-6.4-168.4-55.4-65.4000115.2F43 A48 E50 H176F43-F180 HydrophobicContact CE1-CE2 4.13Å; F43-F180 AromaticContact CE1-CZ 3.97Å; F43-F180 HydrophobicContact CE1-CZ 3.97Å; F43-F180 HydrophobicContact CZ-CE2 4.38Å; F43-F180 HydrophobicContact CZ-CZ 4.03Å; A48-F180 HydrophobicContact CB-CE1 4.44Å; E50-F180 HydrophobicContact CB-CD1 3.65Å; E50-F180 HydrophobicContact CB-CD2 4.49Å; E50-F180 HydrophobicContact CB-CE1 3.75Å; E50-F180 HydrophobicContact CB-CG 4.05Å; E50-F180 HydrophobicContact CB-CZ 4.23Å; E50-F180 HydrophobicContact CG-CB 4.15Å; E50-F180 HydrophobicContact CG-CD1 3.95Å; E50-F180 HydrophobicContact CG-CD2 4.22Å; E50-F180 HydrophobicContact CG-CE1 4.44Å; E50-F180 HydrophobicContact CG-CG 3.84Å; H176-F180 AromaticContact CE1-CD2 3.74Å; H176-F180 AromaticContact CG-CD2 3.95Å; H176-F180 AromaticContact ND1-CD2 3.61Å; H176-F180 AromaticContact ND1-CE2 3.91Å; H176-F180 WeakPolarHBondContact O-CD2 3.43Å; H176-F180 PolarHBondContact O-N 3.2Å
181S86.8Confident84.9Confident20 Ų2055.5 Ų55.514%0.1432%0.318CS..SBendtrans-77.3144.5173.769.60000112I177 S183I177-S181 WeakPolarHBondContact O-CB 3.49Å; I177-S181 PolarHBondContact O-N 2.98Å; I177-S181 PolarHBondContact O-OG 2.99Å; S181-S183 PolarHBondContact O-N 3.32Å; S181-S183 VanDerWaalsContact O-N 3.12Å; S181-S183 PolarHBondContact OG-OG 2.9Å
182D71.7Confident84.7Confident169 Ų16956 Ų5690%0.90432%0.324SS*.SBendtrans-64.9-14.2178.1-67.5-33.2000113.6Q184D182-Q184 PolarHBondContact O-N 3.31Å
183S64.6Low84.5Confident58 Ų5856.6 Ų56.641%0.40633%0.328SS..  trans-75.5107.3174.444.10000110.4S181 T185S181-S183 PolarHBondContact O-N 3.32Å; S181-S183 VanDerWaalsContact O-N 3.12Å; S181-S183 PolarHBondContact OG-OG 2.9Å; S183-T185 PolarHBondContact O-N 3.27Å
184Q59.8Low84.4Confident198 Ų19856.3 Ų56.393%0.92533%0.327SS*.  trans-67.743.6167.7-63.6-172.44.200112.5D182 G186D182-Q184 PolarHBondContact O-N 3.31Å; Q184-G186 PolarHBondContact O-N 3.44Å
185T60.6Low84.5Confident102 Ų10256.2 Ų56.263%0.62633%0.326SS*.  trans-92.973.3177.755.90000108.4L178 S183L178-T185 WeakPolarHBondContact CD2-O 3.34Å; S183-T185 PolarHBondContact O-N 3.27Å
186G65.5Low84.6Confident53 Ų5358 Ų5855%0.54634%0.339SS..SBendtrans-163.5161.8179.800000111.3Q184Q184-G186 PolarHBondContact O-N 3.44Å
187N76.1Confident84.7Confident76 Ų7662.4 Ų62.441%0.40636%0.363SS..  trans-73.9124.2170.2-177.4-15.3000108.2T189 H190N187-T189 PolarHBondContact ND2-OG1 3.16Å; N187-T189 PolarHBondContact O-N 2.87Å; N187-T189 VanDerWaalsContact O-N 3.07Å; N187-T189 PolarHBondContact OD1-N 3.18Å; N187-T189 PolarHBondContact OD1-OG1 2.78Å; N187-H190 HydrophobicContact CB-CB 4.2Å; N187-H190 PolarHBondContact ND2-NE2 2.66Å; N187-H190 WeakPolarHBondContact O-CB 3.31Å; N187-H190 PolarHBondContact O-N 3.14Å
188P79.7Confident84.8Confident127 Ų12762.2 Ų62.283%0.82536%0.362SS*.THydrogen-bonded Turntrans-60.8-17.8-178.924.5-35.7000114.1
189T86.3Confident85.1Confident90 Ų9061.9 Ų61.955%0.55236%0.361SS*.THydrogen-bonded Turntrans-88.4-6.617667.80000113.4N187 P196N187-T189 PolarHBondContact ND2-OG1 3.16Å; N187-T189 PolarHBondContact O-N 2.87Å; N187-T189 VanDerWaalsContact O-N 3.07Å; N187-T189 PolarHBondContact OD1-N 3.18Å; N187-T189 PolarHBondContact OD1-OG1 2.78Å; T189-P196 WeakPolarHBondContact O-CD 3.43Å
190H91.6Very high85.4Confident47 Ų4759.7 Ų59.722%0.21835%0.349CS..SBendtrans-95.1150.5-179.6-67.6179.8000111.3N187 I194 D195N187-H190 HydrophobicContact CB-CB 4.2Å; N187-H190 PolarHBondContact ND2-NE2 2.66Å; N187-H190 WeakPolarHBondContact O-CB 3.31Å; N187-H190 PolarHBondContact O-N 3.14Å; H190-I194 WeakPolarHBondContact CA-O 3.3Å; H190-I194 WeakPolarHBondContact CB-O 3.47Å; H190-D195 VanDerWaalsContact CD2-CG 3.43Å; H190-D195 IonicContact CD2-OD1 2.91Å; H190-D195 IonicContact CD2-OD2 3.25Å; H190-D195 IonicContact CE1-OD2 3.07Å; H190-D195 VanDerWaalsContact NE2-CB 3.34Å; H190-D195 WeakPolarHBondContact NE2-CB 3.49Å; H190-D195 IonicContact NE2-OD1 2.61Å; H190-D195 IonicContact NE2-OD2 3.19Å; H190-D195 PolarHBondContact NE2-OD2 2.93Å
191I92Very high85.7Confident28 Ų2859 Ų5914%0.14435%0.348CS..BIsolated β-bridgetrans-105.6100.8172.4-67.3144000107.4L41 G44 S45 Q175 S193 I194 P196L41-I191 HydrophobicContact CD1-CB 4.33Å; L41-I191 HydrophobicContact CD1-CD1 3.33Å; L41-I191 HydrophobicContact CD1-CG1 4.45Å; L41-I191 HydrophobicContact CG-CD1 4.22Å; G44-I191 VanDerWaalsContact CA-CG2 3.47Å; S45-I191 WeakPolarHBondContact OG-CD1 3.41Å; Q175-I191 PolarHBondContact NE2-O 3.48Å; Q175-I191 PolarHBondContact OE1-O 2.82Å; I191-S193 PolarHBondContact O-N 2.56Å; I191-S193 VanDerWaalsContact O-N 3.12Å; I191-I194 PolarHBondContact N-O 2.82Å; I191-I194 PolarHBondContact O-N 2.84Å; I191-P196 HydrophobicContact CD1-CG 4.34Å
192G92.4Very high86.2Confident13 Ų1360 Ų6013%0.13436%0.358CS..THydrogen-bonded Turntrans57.9-115.7-165.200000110.4
193S93.6Very high87.5Confident16 Ų1652.9 Ų52.911%0.11232%0.32CS..THydrogen-bonded Turntrans-99.14.5175.370.80000114.7Q175 I191 V244Q175-S193 PolarHBondContact NE2-OG 2.9Å; I191-S193 PolarHBondContact O-N 2.56Å; I191-S193 VanDerWaalsContact O-N 3.12Å; S193-V244 WeakPolarHBondContact O-CG1 3.36Å
194I96.8Very high89.1Confident0 Ų050.1 Ų50.10%030%0.301CS..BIsolated β-bridgetrans-97.7130.7-178.2-65.6161.4000108.8L40 L41 M171 H190 I191 V242 V244L40-I194 HydrophobicContact CB-CD1 3.52Å; L40-I194 HydrophobicContact CD1-CD1 4.13Å; L40-I194 HydrophobicContact CG-CD1 4.46Å; L41-I194 HydrophobicContact CD1-CG2 4.01Å; M171-I194 HydrophobicContact CE-CD1 3.73Å; M171-I194 HydrophobicContact CE-CG1 3.73Å; H190-I194 WeakPolarHBondContact CA-O 3.3Å; H190-I194 WeakPolarHBondContact CB-O 3.47Å; I191-I194 PolarHBondContact N-O 2.82Å; I191-I194 PolarHBondContact O-N 2.84Å; I194-V242 HydrophobicContact CG2-CG1 3.73Å; I194-V244 HydrophobicContact CG1-CG2 3.86Å
195D97Very high91Very high24 Ų2445.4 Ų45.413%0.12828%0.278CS..EExtended strand (participates in β ladder)trans-95.9115.4169-169.2-19.6000109H190 N197 C198 V242 Y243 P245H190-D195 VanDerWaalsContact CD2-CG 3.43Å; H190-D195 IonicContact CD2-OD1 2.91Å; H190-D195 IonicContact CD2-OD2 3.25Å; H190-D195 IonicContact CE1-OD2 3.07Å; H190-D195 VanDerWaalsContact NE2-CB 3.34Å; H190-D195 WeakPolarHBondContact NE2-CB 3.49Å; H190-D195 IonicContact NE2-OD1 2.61Å; H190-D195 IonicContact NE2-OD2 3.19Å; H190-D195 PolarHBondContact NE2-OD2 2.93Å; D195-N197 PolarHBondContact O-N 3.05Å; D195-N197 VanDerWaalsContact OD1-C 3.23Å; D195-N197 PolarHBondContact OD1-N 3.04Å; D195-C198 HydrophobicContact CB-CB 3.92Å; D195-C198 PolarHBondContact OD1-N 3.5Å; D195-V242 WeakPolarHBondContact O-CA 3.09Å; D195-Y243 PolarHBondContact N-O 2.81Å; D195-Y243 PolarHBondContact O-N 3.23Å; D195-Y243 VanDerWaalsContact O-N 3.14Å; D195-P245 HydrophobicContact CB-CG 3.56Å
196P96.6Very high92.8Very high50 Ų5044.9 Ų44.933%0.32527%0.272SS..EExtended strand (participates in β ladder)trans-65.3-20.6176.725.1-32.1000113.3L41 T189 I191 V242L41-P196 HydrophobicContact CD1-CB 4.03Å; T189-P196 WeakPolarHBondContact O-CD 3.43Å; I191-P196 HydrophobicContact CD1-CG 4.34Å; P196-V242 WeakPolarHBondContact O-CG2 3.39Å
197N96.4Very high94.4Very high94 Ų9442.3 Ų42.350%0.50325%0.246SC..EExtended strand (participates in β ladder)trans-134.653.7-178.7-168.462.7000110.3D195 D199 H240D195-N197 PolarHBondContact O-N 3.05Å; D195-N197 VanDerWaalsContact OD1-C 3.23Å; D195-N197 PolarHBondContact OD1-N 3.04Å; N197-D199 PolarHBondContact O-N 3.45Å; N197-D199 VanDerWaalsContact O-N 3.13Å; N197-H240 PolarHBondContact ND2-CD2 3.37Å; N197-H240 PolarHBondContact ND2-NE2 2.99Å; N197-H240 PolarHBondContact O-CD2 2.81Å; N197-H240 WeakPolarHBondContact OD1-CB 3.21Å; N197-H240 VanDerWaalsContact OD1-CG 3.32Å
198C97.7Very high95.4Very high1 Ų138.9 Ų38.91%0.00723%0.227CC..EExtended strand (participates in β ladder)trans-62.6112.9-178.8-171.80000110.7D195 V200 H240 I241D195-C198 HydrophobicContact CB-CB 3.92Å; D195-C198 PolarHBondContact OD1-N 3.5Å; C198-V200 PolarHBondContact O-N 2.9Å; C198-H240 VanDerWaalsContact O-CA 3.28Å; C198-H240 WeakPolarHBondContact O-CA 3.45Å; C198-I241 WeakPolarHBondContact CA-O 3.39Å; C198-I241 WeakPolarHBondContact CB-O 3.22Å; C198-I241 PolarHBondContact N-O 3.29Å; C198-I241 PolarHBondContact O-N 2.8Å
199D97.8Very high96.3Very high54 Ų5436.2 Ų36.229%0.28920%0.204SC..EExtended strand (participates in β ladder)trans-72.8104.7171.2-177.5-18.4000109.7N197 V201 A202 V203N197-D199 PolarHBondContact O-N 3.45Å; N197-D199 VanDerWaalsContact O-N 3.13Å; D199-V201 VanDerWaalsContact C-N 3.3Å; D199-V201 PolarHBondContact O-N 3.17Å; D199-V201 WeakPolarHBondContact OD1-CB 3.33Å; D199-V201 PolarHBondContact OD1-N 3.35Å; D199-A202 HydrophobicContact CB-CB 3.86Å; D199-A202 PolarHBondContact O-N 2.95Å; D199-A202 PolarHBondContact OD1-N 3.44Å; D199-V203 WeakPolarHBondContact O-CG2 3.42Å; D199-V203 PolarHBondContact O-N 3.37Å
200V98.3Very high96.8Very high0 Ų033.6 Ų33.60%019%0.189CC..Hα-helixtrans-65.5-37.1-176.2178.80000111.2C198 V203 V204 I239 I241 L248 V280 L287 I289C198-V200 PolarHBondContact O-N 2.9Å; V200-V203 PolarHBondContact O-N 3.49Å; V200-V204 VanDerWaalsContact O-CG2 3.3Å; V200-V204 WeakPolarHBondContact O-CG2 2.93Å; V200-V204 PolarHBondContact O-N 3.37Å; V200-I239 HydrophobicContact CB-CG2 4.17Å; V200-I239 HydrophobicContact CG2-CG2 3.96Å; V200-I239 PolarHBondContact N-O 3.06Å; V200-I241 HydrophobicContact CG2-CD1 4.48Å; V200-I241 HydrophobicContact CG2-CG1 3.87Å; V200-L248 HydrophobicContact CG1-CD2 4.26Å; V200-V280 HydrophobicContact CB-CG1 4.4Å; V200-V280 HydrophobicContact CG1-CG1 3.69Å; V200-L287 HydrophobicContact CG1-CD2 4.12Å; V200-L287 HydrophobicContact CG2-CD1 4.4Å; V200-L287 HydrophobicContact CG2-CD2 3.67Å; V200-I289 HydrophobicContact CG1-CD1 3.75Å; V200-I289 HydrophobicContact CG1-CG1 4.28Å
201V98.2Very high97.1Very high20 Ų2031.3 Ų31.312%0.12118%0.178CC..Hα-helixtrans-68.7-41.6-178.8161.80000110.4D199 V203 V204 Q205 L227 Q229D199-V201 VanDerWaalsContact C-N 3.3Å; D199-V201 PolarHBondContact O-N 3.17Å; D199-V201 WeakPolarHBondContact OD1-CB 3.33Å; D199-V201 PolarHBondContact OD1-N 3.35Å; V201-V203 VanDerWaalsContact C-N 3.34Å; V201-V203 PolarHBondContact O-N 3.1Å; V201-V204 WeakPolarHBondContact O-CB 3.5Å; V201-V204 PolarHBondContact O-N 3.18Å; V201-Q205 WeakPolarHBondContact O-CG 3.45Å; V201-Q205 PolarHBondContact O-N 3.39Å; V201-L227 HydrophobicContact CB-CD2 4.32Å; V201-L227 HydrophobicContact CG1-CD2 3.53Å; V201-L227 HydrophobicContact CG2-CD2 4.23Å; V201-Q229 HydrophobicContact CG2-CB 4.23Å
202A98.3Very high97.3Very high41 Ų4134.3 Ų34.334%0.33919%0.188SC..Hα-helixtrans-60.5-43.2175.200000111.8D199 V204 Q205 D206D199-A202 HydrophobicContact CB-CB 3.86Å; D199-A202 PolarHBondContact O-N 2.95Å; D199-A202 PolarHBondContact OD1-N 3.44Å; A202-V204 VanDerWaalsContact C-N 3.33Å; A202-V204 PolarHBondContact O-N 2.77Å; A202-Q205 PolarHBondContact O-N 2.79Å; A202-D206 WeakPolarHBondContact O-CB 3.34Å; A202-D206 PolarHBondContact O-N 3.03Å
203V98.6Very high97.5Very high19 Ų1939.3 Ų39.312%0.11521%0.209CC..Hα-helixtrans-66.4-35.5177.7-1780000111.9D199 V200 V201 A207 P245 L248 H249 L252D199-V203 WeakPolarHBondContact O-CG2 3.42Å; D199-V203 PolarHBondContact O-N 3.37Å; V200-V203 PolarHBondContact O-N 3.49Å; V201-V203 VanDerWaalsContact C-N 3.34Å; V201-V203 PolarHBondContact O-N 3.1Å; V203-A207 VanDerWaalsContact O-CB 3.31Å; V203-A207 WeakPolarHBondContact O-CB 3.28Å; V203-A207 PolarHBondContact O-N 3.44Å; V203-P245 HydrophobicContact CG2-CB 4.31Å; V203-L248 HydrophobicContact CB-CD2 4.03Å; V203-L248 HydrophobicContact CB-CG 4.4Å; V203-L248 HydrophobicContact CG1-CB 4.13Å; V203-L248 HydrophobicContact CG1-CD2 3.93Å; V203-L248 HydrophobicContact CG1-CG 3.77Å; V203-L248 HydrophobicContact CG2-CD2 4.42Å; V203-H249 HydrophobicContact CG1-CB 3.9Å; V203-L252 HydrophobicContact CG1-CD1 4.04Å
204V98.8Very high97.4Very high0 Ų041 Ų410%022%0.216CC..Hα-helixtrans-61.9-46.6172.7167.40000111.6V200 V201 A202 F208 L227 L252 F256 V278 V280V200-V204 VanDerWaalsContact O-CG2 3.3Å; V200-V204 WeakPolarHBondContact O-CG2 2.93Å; V200-V204 PolarHBondContact O-N 3.37Å; V201-V204 WeakPolarHBondContact O-CB 3.5Å; V201-V204 PolarHBondContact O-N 3.18Å; A202-V204 VanDerWaalsContact C-N 3.33Å; A202-V204 PolarHBondContact O-N 2.77Å; V204-F208 WeakPolarHBondContact O-CB 3.49Å; V204-F208 PolarHBondContact O-N 2.95Å; V204-L227 HydrophobicContact CG1-CD1 3.96Å; V204-L227 HydrophobicContact CG1-CD2 4.48Å; V204-L252 HydrophobicContact CB-CD1 4.41Å; V204-L252 HydrophobicContact CG2-CD1 3.68Å; V204-L252 HydrophobicContact CG2-CD2 4.12Å; V204-F256 HydrophobicContact CG1-CE2 4.34Å; V204-F256 HydrophobicContact CG1-CZ 3.99Å; V204-F256 WeakPolarHBondContact O-CE2 3.44Å; V204-V278 HydrophobicContact CG1-CG1 4.01Å; V204-V280 HydrophobicContact CG2-CG2 4.35Å
205Q98.6Very high97.3Very high98 Ų9841 Ų4146%0.45822%0.216SC..Hα-helixtrans-63.8-47.5178.5-71.2173.2-20.300111.3V201 A202 A207 F208 E209 L225 L227V201-Q205 WeakPolarHBondContact O-CG 3.45Å; V201-Q205 PolarHBondContact O-N 3.39Å; A202-Q205 PolarHBondContact O-N 2.79Å; Q205-A207 PolarHBondContact O-N 3.28Å; Q205-F208 PolarHBondContact O-N 3.01Å; Q205-E209 WeakPolarHBondContact O-CB 3.39Å; Q205-E209 VanDerWaalsContact O-CG 3.3Å; Q205-E209 WeakPolarHBondContact O-CG 3.45Å; Q205-E209 PolarHBondContact O-N 3.09Å; Q205-L225 HydrophobicContact CG-CD2 4.43Å; Q205-L227 HydrophobicContact CG-CD2 4.37Å
206D98.5Very high97.2Very high91 Ų9142.6 Ų42.649%0.48723%0.225SC..Hα-helixtrans-59.4-47.1178.9-176.552.2000112.4A202 F208 E209 C210 H249A202-D206 WeakPolarHBondContact O-CB 3.34Å; A202-D206 PolarHBondContact O-N 3.03Å; D206-F208 PolarHBondContact O-N 2.94Å; D206-E209 PolarHBondContact O-N 3.27Å; D206-C210 PolarHBondContact O-N 3.37Å; D206-C210 PolarHBondContact O-SG 3.23Å; D206-C210 VanDerWaalsContact O-SG 3.35Å; D206-H249 IonicContact OD2-CD2 3.72Å; D206-H249 PolarHBondContact OD2-CD2 2.74Å; D206-H249 VanDerWaalsContact OD2-CD2 3.26Å; D206-H249 IonicContact OD2-NE2 3.92Å
207A98.6Very high97Very high0 Ų046.8 Ų46.80%024%0.24CC..Hα-helixtrans-63.6-40.7177.300000112.3V203 Q205 C210 S211 L252 F253 F256V203-A207 VanDerWaalsContact O-CB 3.31Å; V203-A207 WeakPolarHBondContact O-CB 3.28Å; V203-A207 PolarHBondContact O-N 3.44Å; Q205-A207 PolarHBondContact O-N 3.28Å; A207-C210 PolarHBondContact O-N 3.46Å; A207-S211 PolarHBondContact O-N 3.49Å; A207-S211 PolarHBondContact O-OG 2.9Å; A207-S211 VanDerWaalsContact O-OG 3.09Å; A207-L252 HydrophobicContact CB-CB 3.59Å; A207-F253 HydrophobicContact CB-CB 4.33Å; A207-F256 HydrophobicContact CB-CD2 4.15Å; A207-F256 HydrophobicContact CB-CE2 4.25Å
208F98.7Very high96.7Very high3 Ų350 Ų501%0.01325%0.246CC..Hα-helixtrans-62.2-46.5176179-90.7000111.3V204 Q205 D206 C210 S211 R212 P223 L225 F256 M260 I276V204-F208 WeakPolarHBondContact O-CB 3.49Å; V204-F208 PolarHBondContact O-N 2.95Å; Q205-F208 PolarHBondContact O-N 3.01Å; D206-F208 PolarHBondContact O-N 2.94Å; F208-C210 PolarHBondContact O-N 3.37Å; F208-S211 PolarHBondContact O-N 2.84Å; F208-R212 HydrophobicContact CE1-CB 4.4Å; F208-R212 VanDerWaalsContact O-CB 3.29Å; F208-R212 WeakPolarHBondContact O-CB 3.5Å; F208-R212 PolarHBondContact O-N 3Å; F208-P223 VanDerWaalsContact CZ-O 3.31Å; F208-P223 WeakPolarHBondContact CZ-O 3.46Å; F208-L225 HydrophobicContact CB-CD2 4.12Å; F208-L225 HydrophobicContact CD1-CB 3.86Å; F208-L225 HydrophobicContact CD1-CD2 4.13Å; F208-L225 HydrophobicContact CD2-CB 3.97Å; F208-L225 HydrophobicContact CD2-CD1 3.92Å; F208-L225 HydrophobicContact CD2-CD2 4.37Å; F208-L225 HydrophobicContact CD2-CG 4.3Å; F208-L225 HydrophobicContact CE1-CB 3.61Å; F208-L225 HydrophobicContact CE2-CB 3.71Å; F208-L225 HydrophobicContact CE2-CD1 4.19Å; F208-L225 HydrophobicContact CE2-CG 4.46Å; F208-L225 HydrophobicContact CG-CB 4.03Å; F208-L225 HydrophobicContact CG-CD1 4.34Å; F208-L225 HydrophobicContact CG-CD2 3.94Å; F208-L225 HydrophobicContact CG-CG 4.33Å; F208-L225 HydrophobicContact CZ-CB 3.53Å; F208-F256 HydrophobicContact CB-CD2 4Å; F208-F256 HydrophobicContact CB-CE1 4.43Å; F208-F256 HydrophobicContact CB-CE2 3.77Å; F208-F256 HydrophobicContact CB-CG 4.44Å; F208-F256 HydrophobicContact CB-CZ 4Å; F208-F256 AromaticContact CD2-CD1 3.73Å; F208-F256 HydrophobicContact CD2-CD1 3.73Å; F208-F256 AromaticContact CD2-CE1 3.72Å; F208-F256 HydrophobicContact CD2-CE1 3.72Å; F208-F256 HydrophobicContact CD2-CG 4.17Å; F208-F256 HydrophobicContact CD2-CZ 4.12Å; F208-M260 HydrophobicContact CD1-CE 4.43Å; F208-M260 HydrophobicContact CD2-CE 3.57Å; F208-M260 HydrophobicContact CE1-CE 4.2Å; F208-M260 HydrophobicContact CE2-CE 3.31Å; F208-M260 HydrophobicContact CG-CE 4.14Å; F208-M260 HydrophobicContact CZ-CE 3.65Å; F208-I276 HydrophobicContact CE2-CB 4.47Å; F208-I276 HydrophobicContact CE2-CD1 4.32Å
209E98.4Very high96.4Very high71 Ų7152.3 Ų52.333%0.33226%0.255SS..Hα-helixtrans-61.9-42.8179-73.4-58.8155.100112.2Q205 D206 S211 R212 M213Q205-E209 WeakPolarHBondContact O-CB 3.39Å; Q205-E209 VanDerWaalsContact O-CG 3.3Å; Q205-E209 WeakPolarHBondContact O-CG 3.45Å; Q205-E209 PolarHBondContact O-N 3.09Å; D206-E209 PolarHBondContact O-N 3.27Å; E209-S211 PolarHBondContact O-N 2.8Å; E209-R212 WeakPolarHBondContact O-CB 3.45Å; E209-R212 PolarHBondContact O-N 3.09Å; E209-R212 IonicContact OE1-CZ 3.82Å; E209-R212 VanDerWaalsContact OE1-CZ 3.25Å; E209-R212 IonicContact OE1-NE 2.66Å; E209-R212 IonicContact OE1-NH1 3.81Å; E209-R212 IonicContact OE1-NH2 3.68Å; E209-R212 PolarHBondContact OE1-NH2 3.5Å; E209-R212 IonicContact OE2-CZ 3.88Å; E209-R212 IonicContact OE2-NE 3.14Å; E209-R212 PolarHBondContact OE2-NE 3.24Å; E209-R212 IonicContact OE2-NH2 2.81Å; E209-R212 PolarHBondContact OE2-NH2 3.38Å; E209-M213 WeakPolarHBondContact O-CG 3.49Å; E209-M213 PolarHBondContact O-N 3.12Å
210C96.8Very high96.1Very high35 Ų3557.1 Ų57.124%0.23628%0.28CS..Hα-helixtrans-61.5-43.7174-71.50000112.6D206 A207 F208 L214 F253D206-C210 PolarHBondContact O-N 3.37Å; D206-C210 PolarHBondContact O-SG 3.23Å; D206-C210 VanDerWaalsContact O-SG 3.35Å; A207-C210 PolarHBondContact O-N 3.46Å; F208-C210 PolarHBondContact O-N 3.37Å; C210-L214 PolarHBondContact O-N 3.16Å; C210-F253 HydrophobicContact CB-CD2 3.94Å; C210-F253 HydrophobicContact CB-CE2 4Å
211S96.5Very high96Very high0 Ų060.1 Ų60.10%030%0.299CS..Hα-helixtrans-66.8-37.7175.5-61.70000112.1A207 F208 E209 L214 C215 F253 F256 M260A207-S211 PolarHBondContact O-N 3.49Å; A207-S211 PolarHBondContact O-OG 2.9Å; A207-S211 VanDerWaalsContact O-OG 3.09Å; F208-S211 PolarHBondContact O-N 2.84Å; E209-S211 PolarHBondContact O-N 2.8Å; S211-L214 PolarHBondContact O-N 2.96Å; S211-C215 WeakPolarHBondContact O-CB 3.32Å; S211-C215 PolarHBondContact O-N 3.25Å; S211-F253 WeakPolarHBondContact OG-CD2 3.4Å; S211-F253 PolarHBondContact OG-O 3.49Å; S211-F253 VanDerWaalsContact OG-O 3.04Å; S211-F256 WeakPolarHBondContact OG-CB 3.43Å; S211-M260 VanDerWaalsContact C-SD 3.51Å
212R97Very high95.9Very high90 Ų9060.3 Ų60.334%0.3430%0.301SS..Hα-helixtrans-60.5-48.3178178.1166.872.8158.85.4111.2F208 E209 L214 C215 D216 S222 M260F208-R212 HydrophobicContact CE1-CB 4.4Å; F208-R212 VanDerWaalsContact O-CB 3.29Å; F208-R212 WeakPolarHBondContact O-CB 3.5Å; F208-R212 PolarHBondContact O-N 3Å; E209-R212 WeakPolarHBondContact O-CB 3.45Å; E209-R212 PolarHBondContact O-N 3.09Å; E209-R212 IonicContact OE1-CZ 3.82Å; E209-R212 VanDerWaalsContact OE1-CZ 3.25Å; E209-R212 IonicContact OE1-NE 2.66Å; E209-R212 IonicContact OE1-NH1 3.81Å; E209-R212 IonicContact OE1-NH2 3.68Å; E209-R212 PolarHBondContact OE1-NH2 3.5Å; E209-R212 IonicContact OE2-CZ 3.88Å; E209-R212 IonicContact OE2-NE 3.14Å; E209-R212 PolarHBondContact OE2-NE 3.24Å; E209-R212 IonicContact OE2-NH2 2.81Å; E209-R212 PolarHBondContact OE2-NH2 3.38Å; R212-L214 VanDerWaalsContact C-N 3.27Å; R212-L214 PolarHBondContact O-N 3.48Å; R212-C215 WeakPolarHBondContact O-CB 3.48Å; R212-C215 PolarHBondContact O-N 3.45Å; R212-C215 VanDerWaalsContact O-N 3.08Å; R212-D216 WeakPolarHBondContact CG-OD2 3.44Å; R212-D216 WeakPolarHBondContact O-CB 3.45Å; R212-D216 PolarHBondContact O-N 3.15Å; R212-S222 WeakPolarHBondContact CG-OG 3.25Å; R212-M260 HydrophobicContact CB-CE 3.91Å
213M95.9Very high95.9Very high118 Ų11858.5 Ų58.558%0.58129%0.286SS*.Hα-helixtrans-55.7-41.6177-72.8-172.4-71.700112.4E209 Q217E209-M213 WeakPolarHBondContact O-CG 3.49Å; E209-M213 PolarHBondContact O-N 3.12Å; M213-Q217 WeakPolarHBondContact O-CB 3.29Å; M213-Q217 PolarHBondContact O-N 3.26Å
214L92.6Very high95.9Very high51 Ų5164.7 Ų64.727%0.26731%0.313SS..Hα-helixtrans-70.8-38.2176.8-67.8176.6000112.6C210 S211 R212 Q217 Y218 F253 L327C210-L214 PolarHBondContact O-N 3.16Å; S211-L214 PolarHBondContact O-N 2.96Å; R212-L214 VanDerWaalsContact C-N 3.27Å; R212-L214 PolarHBondContact O-N 3.48Å; L214-Q217 PolarHBondContact O-N 3.29Å; L214-Y218 PolarHBondContact O-N 3.4Å; L214-F253 HydrophobicContact CD1-CE2 3.76Å; L214-F253 HydrophobicContact CD1-CZ 3.46Å; L214-F253 VanDerWaalsContact CD1-CZ 3.46Å; L214-L327 HydrophobicContact CB-CD1 3.85Å
215C93.9Very high95.8Very high0 Ų066.9 Ų66.90%033%0.325CS..Hα-helixtrans-63.2-48.8175.8-172.10000110.8S211 R212 Q217 Y218 Y219 T221 M260S211-C215 WeakPolarHBondContact O-CB 3.32Å; S211-C215 PolarHBondContact O-N 3.25Å; R212-C215 WeakPolarHBondContact O-CB 3.48Å; R212-C215 PolarHBondContact O-N 3.45Å; R212-C215 VanDerWaalsContact O-N 3.08Å; C215-Q217 VanDerWaalsContact C-N 3.32Å; C215-Q217 PolarHBondContact O-N 3.24Å; C215-Y218 PolarHBondContact O-N 3.49Å; C215-Y218 VanDerWaalsContact O-N 3.15Å; C215-Y219 PolarHBondContact O-N 2.78Å; C215-T221 PolarHBondContact SG-O 3.48Å; C215-M260 HydrophobicContact CB-CB 4.29Å; C215-M260 HydrophobicContact CB-SD 3.82Å
216D94.9Very high95.8Very high59 Ų5967.3 Ų67.332%0.31633%0.325SS..Hα-helixtrans-62.4-39.4177.5-70.5-26.5000111.4R212 Y218 L220 S222R212-D216 WeakPolarHBondContact CG-OD2 3.44Å; R212-D216 WeakPolarHBondContact O-CB 3.45Å; R212-D216 PolarHBondContact O-N 3.15Å; D216-Y218 VanDerWaalsContact C-N 3.27Å; D216-Y218 PolarHBondContact O-N 3.04Å; D216-L220 WeakPolarHBondContact O-CA 3.47Å; D216-L220 PolarHBondContact O-N 2.82Å; D216-S222 WeakPolarHBondContact OD1-CB 3.29Å; D216-S222 PolarHBondContact OD1-N 3.09Å; D216-S222 PolarHBondContact OD1-OG 3.47Å; D216-S222 PolarHBondContact OD2-OG 3.46Å
217Q92.8Very high95.8Very high137 Ų13765.3 Ų65.364%0.6431%0.314SS*.Hα-helixtrans-62.2-35176.2-175.2179.1200112.6M213 L214 C215M213-Q217 WeakPolarHBondContact O-CB 3.29Å; M213-Q217 PolarHBondContact O-N 3.26Å; L214-Q217 PolarHBondContact O-N 3.29Å; C215-Q217 VanDerWaalsContact C-N 3.32Å; C215-Q217 PolarHBondContact O-N 3.24Å
218Y89.2Confident95.8Very high161 Ų16168.6 Ų68.663%0.63133%0.334SS*.Hα-helixtrans-92.8-42.4-174.9-170-94.8000113.4L214 C215 D216L214-Y218 PolarHBondContact O-N 3.4Å; C215-Y218 PolarHBondContact O-N 3.49Å; C215-Y218 VanDerWaalsContact O-N 3.15Å; D216-Y218 VanDerWaalsContact C-N 3.27Å; D216-Y218 PolarHBondContact O-N 3.04Å
219Y91.6Very high95.7Very high50 Ų5072.5 Ų72.520%0.19635%0.353CS..Hα-helixtrans-107.4-5.3-174.9-64-72.5000114.1C215 T221 R261 V264 E265 L327C215-Y219 PolarHBondContact O-N 2.78Å; Y219-T221 PolarHBondContact O-N 3.41Å; Y219-T221 VanDerWaalsContact O-N 3.11Å; Y219-R261 WeakPolarHBondContact OH-CG 3.44Å; Y219-V264 HydrophobicContact CD1-CG1 3.7Å; Y219-V264 HydrophobicContact CD2-CB 4.44Å; Y219-V264 HydrophobicContact CD2-CG1 4.19Å; Y219-V264 HydrophobicContact CE1-CG1 4.31Å; Y219-V264 HydrophobicContact CG-CB 4.38Å; Y219-V264 HydrophobicContact CG-CG1 3.66Å; Y219-E265 HydrophobicContact CE1-CG 4.16Å; Y219-E265 PolarHBondContact OH-OE1 3.36Å; Y219-L327 HydrophobicContact CD2-CD2 4.21Å; Y219-L327 HydrophobicContact CE2-CD2 3.42Å; Y219-L327 VanDerWaalsContact CE2-CD2 3.42Å
220L93.1Very high95.7Very high155 Ų15572.7 Ų72.781%0.81236%0.358SS*.SBendtrans61.611.4-175-50.6175.9000114.4D216D216-L220 WeakPolarHBondContact O-CA 3.47Å; D216-L220 PolarHBondContact O-N 2.82Å
221T94.7Very high95.7Very high64 Ų6471.7 Ų71.739%0.39335%0.351SS..  trans-158.8161177.8-167.70000110.5C215 Y219 V264 L273C215-T221 PolarHBondContact SG-O 3.48Å; Y219-T221 PolarHBondContact O-N 3.41Å; Y219-T221 VanDerWaalsContact O-N 3.11Å; T221-V264 HydrophobicContact CG2-CG1 4.27Å; T221-L273 HydrophobicContact CG2-CD1 4.01Å
222S96.6Very high95.5Very high24 Ų2474.5 Ų74.517%0.16838%0.38CS..  trans-153.8151.9178.852.90000111.2R212 D216R212-S222 WeakPolarHBondContact CG-OG 3.25Å; D216-S222 WeakPolarHBondContact OD1-CB 3.29Å; D216-S222 PolarHBondContact OD1-N 3.09Å; D216-S222 PolarHBondContact OD1-OG 3.47Å; D216-S222 PolarHBondContact OD2-OG 3.46Å
223P97.8Very high95.2Very high2 Ų275.3 Ų75.31%0.01339%0.386CS..PPolyproline II helixtrans-71.4155.8173.230.6-34.8000111.3F208 M260 T263 L273 T274 I276F208-P223 VanDerWaalsContact CZ-O 3.31Å; F208-P223 WeakPolarHBondContact CZ-O 3.46Å; P223-M260 HydrophobicContact CG-CB 4.38Å; P223-M260 HydrophobicContact CG-CG 3.84Å; P223-T263 HydrophobicContact CB-CG2 4.28Å; P223-L273 HydrophobicContact CB-CB 4.24Å; P223-T274 WeakPolarHBondContact CB-O 3.44Å; P223-I276 HydrophobicContact CB-CD1 4.48Å; P223-I276 HydrophobicContact CB-CG1 4.2Å; P223-I276 HydrophobicContact CG-CD1 3.6Å; P223-I276 HydrophobicContact CG-CG1 3.83Å
224E98.1Very high95Very high150 Ų15074.4 Ų74.470%0.70138%0.379SS*.PPolyproline II helixtrans-78.7163172.4-65.1-174.1166.200112.5P275 I276E224-P275 HydrophobicContact CB-CB 4.29Å; E224-P275 CarbonylContact O-C 3.59Å; E224-P275 WeakPolarHBondContact O-CA 3.24Å; E224-P275 WeakPolarHBondContact O-CB 3.48Å; E224-I276 PolarHBondContact O-N 2.64Å
225L98.6Very high94.9Very high46 Ų4676.6 Ų76.624%0.24140%0.396CS..EExtended strand (participates in β ladder)trans-98126.4174178.362.4000110.9Q205 F208 L227 F256 V278Q205-L225 HydrophobicContact CG-CD2 4.43Å; F208-L225 HydrophobicContact CB-CD2 4.12Å; F208-L225 HydrophobicContact CD1-CB 3.86Å; F208-L225 HydrophobicContact CD1-CD2 4.13Å; F208-L225 HydrophobicContact CD2-CB 3.97Å; F208-L225 HydrophobicContact CD2-CD1 3.92Å; F208-L225 HydrophobicContact CD2-CD2 4.37Å; F208-L225 HydrophobicContact CD2-CG 4.3Å; F208-L225 HydrophobicContact CE1-CB 3.61Å; F208-L225 HydrophobicContact CE2-CB 3.71Å; F208-L225 HydrophobicContact CE2-CD1 4.19Å; F208-L225 HydrophobicContact CE2-CG 4.46Å; F208-L225 HydrophobicContact CG-CB 4.03Å; F208-L225 HydrophobicContact CG-CD1 4.34Å; F208-L225 HydrophobicContact CG-CD2 3.94Å; F208-L225 HydrophobicContact CG-CG 4.33Å; F208-L225 HydrophobicContact CZ-CB 3.53Å; L225-L227 HydrophobicContact CD2-CB 4.44Å; L225-L227 HydrophobicContact CG-CB 4.3Å; L225-F256 HydrophobicContact CD1-CE1 4.36Å; L225-F256 HydrophobicContact CD1-CZ 4.46Å; L225-V278 HydrophobicContact CD1-CB 4.16Å; L225-V278 HydrophobicContact CD1-CG2 3.53Å
226K98.7Very high94.7Very high106 Ų10684.7 Ų84.746%0.46144%0.439SS..EExtended strand (participates in β ladder)trans-112.6100.7167.3-179.5177.7165.6-161.10109.9P275 I276 E277 V278K226-P275 HydrophobicContact CB-CB 4.31Å; K226-I276 PolarHBondContact N-O 3.27Å; K226-E277 HydrophobicContact CB-CG 4.37Å; K226-E277 HydrophobicContact CD-CG 4.2Å; K226-E277 IonicContact NZ-OE1 2.75Å; K226-E277 PolarHBondContact NZ-OE1 3.47Å; K226-E277 CarbonylContact O-C 3.57Å; K226-E277 WeakPolarHBondContact O-CA 3.43Å; K226-V278 PolarHBondContact O-N 3.27Å
227L98.4Very high94.7Very high49 Ų4987.1 Ų87.126%0.25745%0.449SS..EExtended strand (participates in β ladder)trans-100.7132.5-175.8-177.164.5000111.9V201 V204 Q205 L225 V278 V280V201-L227 HydrophobicContact CB-CD2 4.32Å; V201-L227 HydrophobicContact CG1-CD2 3.53Å; V201-L227 HydrophobicContact CG2-CD2 4.23Å; V204-L227 HydrophobicContact CG1-CD1 3.96Å; V204-L227 HydrophobicContact CG1-CD2 4.48Å; Q205-L227 HydrophobicContact CG-CD2 4.37Å; L225-L227 HydrophobicContact CD2-CB 4.44Å; L225-L227 HydrophobicContact CG-CB 4.3Å; L227-V278 CarbonylContact C-O 3.59Å; L227-V278 WeakPolarHBondContact CA-O 3.17Å; L227-V278 HydrophobicContact CD1-CB 3.67Å; L227-V278 HydrophobicContact CD1-CG1 3.6Å; L227-V280 HydrophobicContact CD1-CG2 4.03Å
228T98Very high94.8Very high69 Ų6983.7 Ų83.742%0.42344%0.438SS..EExtended strand (participates in β ladder)trans-126.5136.3171-55.90000109.3V278 I279 V280T228-V278 PolarHBondContact N-O 2.99Å; T228-I279 CarbonylContact O-C 3.51Å; T228-I279 WeakPolarHBondContact O-CA 3.13Å; T228-V280 PolarHBondContact O-N 2.78Å
229Q97.1Very high95.2Very high86 Ų8676 Ų7640%0.40241%0.408SS..EExtended strand (participates in β ladder)trans-119.8142.917364.5173.8-15.300111.2V201 I239 V280V201-Q229 HydrophobicContact CG2-CB 4.23Å; Q229-I239 HydrophobicContact CB-CD1 3.96Å; Q229-V280 CarbonylContact C-O 3.5Å; Q229-V280 VanDerWaalsContact CA-O 3.29Å; Q229-V280 WeakPolarHBondContact CA-O 3.41Å; Q229-V280 HydrophobicContact CB-CB 4.48Å
230V96.8Very high95.5Very high74 Ų7476.7 Ų76.745%0.44841%0.413SS..EExtended strand (participates in β ladder)trans-133.8105.2176.5-1770000108.5G232 V280 V281 L282V230-G232 PolarHBondContact O-N 3.38Å; V230-V280 PolarHBondContact N-O 2.8Å; V230-V281 HydrophobicContact CB-CG1 4.39Å; V230-V281 HydrophobicContact CB-CG2 4.29Å; V230-V281 WeakPolarHBondContact O-CA 3.34Å; V230-L282 PolarHBondContact O-N 3.08Å
231N96.8Very high95.6Very high14 Ų1469.7 Ų69.78%0.07538%0.377CS..EExtended strand (participates in β ladder)trans-93.194.5175.9-168.9-20.1000109.8K233 F234 Q237 P238 I239N231-K233 PolarHBondContact O-N 3.28Å; N231-K233 PolarHBondContact OD1-N 3.34Å; N231-F234 WeakPolarHBondContact CB-O 3.09Å; N231-F234 PolarHBondContact ND2-O 3.44Å; N231-F234 CarbonylContact O-C 3.44Å; N231-F234 PolarHBondContact OD1-N 3.33Å; N231-Q237 WeakPolarHBondContact CB-O 3.3Å; N231-Q237 PolarHBondContact ND2-O 3.27Å; N231-P238 PolarHBondContact ND2-O 2.91Å; N231-I239 HydrophobicContact CB-CD1 4.49Å; N231-I239 HydrophobicContact CB-CG1 3.92Å
232G93.2Very high95.8Very high60 Ų6068 Ų6862%0.61937%0.366SS*.SBendtrans-72.9-15-18000000113.8V230 L282V230-G232 PolarHBondContact O-N 3.38Å; G232-L282 WeakPolarHBondContact CA-O 3.49Å; G232-L282 PolarHBondContact N-O 3.38Å
233K90.2Very high95.9Very high106 Ų10666.9 Ų66.946%0.46136%0.358SS..SBendtrans-87.2-42.6176.9-168.6178.4178.4178.40111.7N231 L282N231-K233 PolarHBondContact O-N 3.28Å; N231-K233 PolarHBondContact OD1-N 3.34Å; K233-L282 HydrophobicContact CB-CD2 4.46Å
234F91.1Very high95.9Very high100 Ų10066.8 Ų66.844%0.43936%0.357SS..SBendtrans-136.792.3179.7-56.2-69000109.5N231 D236 Q237N231-F234 WeakPolarHBondContact CB-O 3.09Å; N231-F234 PolarHBondContact ND2-O 3.44Å; N231-F234 CarbonylContact O-C 3.44Å; N231-F234 PolarHBondContact OD1-N 3.33Å; F234-D236 PolarHBondContact O-N 3.15Å; F234-Q237 HydrophobicContact CB-CB 4.01Å; F234-Q237 HydrophobicContact CB-CG 4.06Å; F234-Q237 PolarHBondContact O-N 3.48Å
235P92.1Very high95.9Very high96 Ų9660.7 Ų60.762%0.62333%0.331SS*.THydrogen-bonded Turntrans-51.4141.8179.8-27.835.6000112.2Q237P235-Q237 PolarHBondContact O-N 3.14Å
236D89.3Confident95.8Very high170 Ų17062 Ų6291%0.90934%0.344SS*.THydrogen-bonded Turntrans62.13.8179.6-51.3-47.1000116.5F234F234-D236 PolarHBondContact O-N 3.15Å
237Q94.2Very high95.8Very high110 Ų11057.7 Ų57.751%0.51433%0.325SS..SBendtrans-94146.4172.8-63-167.210.300112.1N231 F234 P235N231-Q237 WeakPolarHBondContact CB-O 3.3Å; N231-Q237 PolarHBondContact ND2-O 3.27Å; F234-Q237 HydrophobicContact CB-CB 4.01Å; F234-Q237 HydrophobicContact CB-CG 4.06Å; F234-Q237 PolarHBondContact O-N 3.48Å; P235-Q237 PolarHBondContact O-N 3.14Å
238P95.5Very high95.8Very high65 Ų6555.3 Ų55.342%0.42231%0.313SS..  trans-59.7148.8173.9-15.627000111.9N231 H240N231-P238 PolarHBondContact ND2-O 2.91Å; P238-H240 PolarHBondContact O-N 3.46Å; P238-H240 PolarHBondContact O-ND1 3.24Å
239I97.7Very high95.8Very high0 Ų054.1 Ų54.10%030%0.303CS..  trans-84.6110.6-177.6-65.3175000109.8V200 Q229 N231 V280 L282 L287V200-I239 HydrophobicContact CB-CG2 4.17Å; V200-I239 HydrophobicContact CG2-CG2 3.96Å; V200-I239 PolarHBondContact N-O 3.06Å; Q229-I239 HydrophobicContact CB-CD1 3.96Å; N231-I239 HydrophobicContact CB-CD1 4.49Å; N231-I239 HydrophobicContact CB-CG1 3.92Å; I239-V280 HydrophobicContact CD1-CB 4.17Å; I239-V280 HydrophobicContact CD1-CG1 3.65Å; I239-V280 HydrophobicContact CG2-CG1 4.26Å; I239-L282 HydrophobicContact CD1-CB 4.09Å; I239-L282 HydrophobicContact CG1-CB 4.07Å; I239-L282 HydrophobicContact CG2-CB 3.89Å; I239-L282 HydrophobicContact CG2-CD2 4.22Å; I239-L282 HydrophobicContact CG2-CG 4.48Å; I239-L287 HydrophobicContact CG2-CD1 3.52Å
240H96.9Very high95.9Very high64 Ų6452.5 Ų52.530%0.29630%0.295SS..EExtended strand (participates in β ladder)trans-118.3140.9173.8-56.895.3000111.4N197 C198 P238N197-H240 PolarHBondContact ND2-CD2 3.37Å; N197-H240 PolarHBondContact ND2-NE2 2.99Å; N197-H240 PolarHBondContact O-CD2 2.81Å; N197-H240 WeakPolarHBondContact OD1-CB 3.21Å; N197-H240 VanDerWaalsContact OD1-CG 3.32Å; C198-H240 VanDerWaalsContact O-CA 3.28Å; C198-H240 WeakPolarHBondContact O-CA 3.45Å; P238-H240 PolarHBondContact O-N 3.46Å; P238-H240 PolarHBondContact O-ND1 3.24Å
241I96.9Very high95.9Very high9 Ų949 Ų495%0.04627%0.274CS..EExtended strand (participates in β ladder)trans-137.7161.6172.360.9157.2000110.9C198 V200 Y243 L282 L287 L364C198-I241 WeakPolarHBondContact CA-O 3.39Å; C198-I241 WeakPolarHBondContact CB-O 3.22Å; C198-I241 PolarHBondContact N-O 3.29Å; C198-I241 PolarHBondContact O-N 2.8Å; V200-I241 HydrophobicContact CG2-CD1 4.48Å; V200-I241 HydrophobicContact CG2-CG1 3.87Å; I241-Y243 HydrophobicContact CD1-CD2 3.9Å; I241-Y243 HydrophobicContact CD1-CG 3.9Å; I241-Y243 PolarHBondContact O-N 3.39Å; I241-L282 HydrophobicContact CG2-CD1 4.06Å; I241-L287 HydrophobicContact CD1-CD2 3.4Å; I241-L287 HydrophobicContact CG1-CD2 4Å; I241-L287 HydrophobicContact CG2-CB 4.48Å; I241-L287 HydrophobicContact CG2-CD2 4.18Å; I241-L364 HydrophobicContact CD1-CD1 4.34Å
242V97.7Very high96Very high27 Ų2748.3 Ų48.316%0.16427%0.27CS..EExtended strand (participates in β ladder)trans-78115.3165.7179.10000107.5M37 L41 I194 D195 P196M37-V242 VanDerWaalsContact SD-O 3.41Å; L41-V242 HydrophobicContact CD1-CG1 4.44Å; L41-V242 HydrophobicContact CD2-CG1 4.16Å; L41-V242 HydrophobicContact CD2-CG2 4.3Å; I194-V242 HydrophobicContact CG2-CG1 3.73Å; D195-V242 WeakPolarHBondContact O-CA 3.09Å; P196-V242 WeakPolarHBondContact O-CG2 3.39Å
243Y98.3Very high96.3Very high1 Ų147.3 Ų47.30%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-156.3174.7-179.7-150.1-108.4000112.7M37 D195 I241 P245 H247 L248 M251 L364M37-Y243 HydrophobicContact CE-CD2 3.21Å; M37-Y243 HydrophobicContact CE-CE2 3.21Å; M37-Y243 HydrophobicContact CE-CG 4.24Å; M37-Y243 HydrophobicContact SD-CD2 3.98Å; D195-Y243 PolarHBondContact N-O 2.81Å; D195-Y243 PolarHBondContact O-N 3.23Å; D195-Y243 VanDerWaalsContact O-N 3.14Å; I241-Y243 HydrophobicContact CD1-CD2 3.9Å; I241-Y243 HydrophobicContact CD1-CG 3.9Å; I241-Y243 PolarHBondContact O-N 3.39Å; Y243-P245 WeakPolarHBondContact O-CD 3.38Å; Y243-H247 HydrophobicContact CE1-CB 4.09Å; Y243-L248 HydrophobicContact CD1-CB 3.9Å; Y243-L248 HydrophobicContact CE1-CB 3.98Å; Y243-M251 HydrophobicContact CE1-CE 4.49Å; Y243-L364 HydrophobicContact CD1-CD1 4.37Å; Y243-L364 HydrophobicContact CD2-CD1 4.28Å; Y243-L364 HydrophobicContact CE1-CD1 3.97Å; Y243-L364 HydrophobicContact CE2-CD1 3.86Å; Y243-L364 HydrophobicContact CE2-CD2 3.88Å; Y243-L364 HydrophobicContact CE2-CG 4.3Å; Y243-L364 WeakPolarHBondContact OH-CD2 3.23Å
244V98.1Very high96.6Very high0 Ų043.5 Ų43.50%023%0.233CC..  trans-95.7104.1170.8178.80000108.4M171 S193 I194 S246 H247 L248 F344M171-V244 HydrophobicContact CE-CG2 3.62Å; M171-V244 HydrophobicContact SD-CG2 3.94Å; S193-V244 WeakPolarHBondContact O-CG1 3.36Å; I194-V244 HydrophobicContact CG1-CG2 3.86Å; V244-S246 VanDerWaalsContact C-N 3.25Å; V244-S246 WeakPolarHBondContact CG1-OG 3.42Å; V244-S246 PolarHBondContact O-N 3.35Å; V244-H247 HydrophobicContact CB-CB 4.16Å; V244-H247 HydrophobicContact CG1-CB 4.21Å; V244-H247 VanDerWaalsContact CG1-CD2 3.46Å; V244-H247 WeakPolarHBondContact CG1-CD2 3.2Å; V244-H247 WeakPolarHBondContact O-CB 3.41Å; V244-H247 PolarHBondContact O-N 3.43Å; V244-L248 PolarHBondContact O-N 3.41Å; V244-F344 HydrophobicContact CG2-CE2 4.37Å
245P97.9Very high96.9Very high23 Ų2339.2 Ų39.215%0.14921%0.214CC..Hα-helixtrans-58.1-37.4-172.1-25.534.2000113D195 V203 Y243 H247 L248 H249D195-P245 HydrophobicContact CB-CG 3.56Å; V203-P245 HydrophobicContact CG2-CB 4.31Å; Y243-P245 WeakPolarHBondContact O-CD 3.38Å; P245-H247 VanDerWaalsContact C-N 3.31Å; P245-H247 PolarHBondContact O-N 3.29Å; P245-L248 PolarHBondContact O-N 2.89Å; P245-H249 WeakPolarHBondContact O-CB 3.24Å; P245-H249 PolarHBondContact O-N 2.96Å
246S97.1Very high97.2Very high74 Ų7434.6 Ų34.652%0.51718%0.184SC..Hα-helixtrans-64.4-30.8178.363.30000113.9V244 H250V244-S246 VanDerWaalsContact C-N 3.25Å; V244-S246 WeakPolarHBondContact CG1-OG 3.42Å; V244-S246 PolarHBondContact O-N 3.35Å; S246-H250 WeakPolarHBondContact O-CB 3.49Å; S246-H250 PolarHBondContact O-N 3.02Å; S246-H250 VanDerWaalsContact O-N 3.08Å
247H98.4Very high97.5Very high14 Ų1427.3 Ų27.37%0.06514%0.144CC..Hα-helixtrans-70.7-44.5174.5-68.8-169.1000110.3Y243 V244 P245 H250 M251 Y340Y243-H247 HydrophobicContact CE1-CB 4.09Å; V244-H247 HydrophobicContact CB-CB 4.16Å; V244-H247 HydrophobicContact CG1-CB 4.21Å; V244-H247 VanDerWaalsContact CG1-CD2 3.46Å; V244-H247 WeakPolarHBondContact CG1-CD2 3.2Å; V244-H247 WeakPolarHBondContact O-CB 3.41Å; V244-H247 PolarHBondContact O-N 3.43Å; P245-H247 VanDerWaalsContact C-N 3.31Å; P245-H247 PolarHBondContact O-N 3.29Å; H247-H250 PolarHBondContact O-N 3.4Å; H247-M251 WeakPolarHBondContact O-CG 3.31Å; H247-M251 PolarHBondContact O-N 3.23Å; H247-Y340 HydrophobicContact CB-CD1 3.88Å; H247-Y340 HydrophobicContact CB-CE1 4.41Å; H247-Y340 AromaticContact CD2-CD1 3.86Å; H247-Y340 AromaticContact CD2-CE1 3.56Å; H247-Y340 AromaticContact CG-CD1 3.58Å; H247-Y340 AromaticContact CG-CE1 3.81Å; H247-Y340 AromaticContact ND1-CD1 3.8Å; H247-Y340 AromaticContact NE2-CE1 3.78Å
248L98.7Very high97.6Very high0 Ų025 Ų250%014%0.136CC..Hα-helixtrans-63.1-49177.4178.457.9000111.3V200 V203 Y243 V244 P245 H250 M251 L252 I289 L364V200-L248 HydrophobicContact CG1-CD2 4.26Å; V203-L248 HydrophobicContact CB-CD2 4.03Å; V203-L248 HydrophobicContact CB-CG 4.4Å; V203-L248 HydrophobicContact CG1-CB 4.13Å; V203-L248 HydrophobicContact CG1-CD2 3.93Å; V203-L248 HydrophobicContact CG1-CG 3.77Å; V203-L248 HydrophobicContact CG2-CD2 4.42Å; Y243-L248 HydrophobicContact CD1-CB 3.9Å; Y243-L248 HydrophobicContact CE1-CB 3.98Å; V244-L248 PolarHBondContact O-N 3.41Å; P245-L248 PolarHBondContact O-N 2.89Å; L248-H250 VanDerWaalsContact C-N 3.32Å; L248-H250 PolarHBondContact O-N 2.76Å; L248-M251 HydrophobicContact CD1-CE 4.08Å; L248-M251 PolarHBondContact O-N 3.34Å; L248-L252 HydrophobicContact CD1-CD1 3.69Å; L248-L252 HydrophobicContact CD1-CG 4.04Å; L248-L252 HydrophobicContact CD2-CD1 4.45Å; L248-L252 HydrophobicContact CG-CD1 3.67Å; L248-L252 HydrophobicContact CG-CG 4.44Å; L248-L252 VanDerWaalsContact O-CG 3.32Å; L248-L252 WeakPolarHBondContact O-CG 3.2Å; L248-L252 PolarHBondContact O-N 3.4Å; L248-I289 HydrophobicContact CD1-CD1 3.68Å; L248-L364 HydrophobicContact CD1-CD1 4.16Å
249H98.6Very high97.7Very high43 Ų4322.1 Ų22.120%0.19912%0.117CC..Hα-helixtrans-54.5-46.8175.6176.2-77.8000111.4V203 D206 P245 M251 L252 F253V203-H249 HydrophobicContact CG1-CB 3.9Å; D206-H249 IonicContact OD2-CD2 3.72Å; D206-H249 PolarHBondContact OD2-CD2 2.74Å; D206-H249 VanDerWaalsContact OD2-CD2 3.26Å; D206-H249 IonicContact OD2-NE2 3.92Å; P245-H249 WeakPolarHBondContact O-CB 3.24Å; P245-H249 PolarHBondContact O-N 2.96Å; H249-M251 PolarHBondContact O-N 3.48Å; H249-L252 PolarHBondContact O-N 2.96Å; H249-F253 WeakPolarHBondContact O-CB 3.39Å; H249-F253 PolarHBondContact O-N 2.81Å
250H97.7Very high97.7Very high53 Ų5322.1 Ų22.125%0.24512%0.117CC..Hα-helixtrans-58.2-46179.8-17979.4000112.8S246 H247 L248 E254 Y340S246-H250 WeakPolarHBondContact O-CB 3.49Å; S246-H250 PolarHBondContact O-N 3.02Å; S246-H250 VanDerWaalsContact O-N 3.08Å; H247-H250 PolarHBondContact O-N 3.4Å; L248-H250 VanDerWaalsContact C-N 3.32Å; L248-H250 PolarHBondContact O-N 2.76Å; H250-E254 PolarHBondContact O-N 2.61Å; H250-E254 VanDerWaalsContact O-N 3.15Å; H250-Y340 AromaticContact CD2-CD2 3.33Å; H250-Y340 WeakPolarHBondContact CD2-CD2 3.45Å; H250-Y340 AromaticContact CD2-CE2 3.23Å; H250-Y340 WeakPolarHBondContact CD2-CE2 3.41Å; H250-Y340 AromaticContact CG-CE2 3.87Å; H250-Y340 AromaticContact NE2-CD2 3.94Å; H250-Y340 AromaticContact NE2-CE2 3.58Å
251M98.7Very high97.6Very high0 Ų021.2 Ų21.20%011%0.111CC..Hα-helixtrans-62.6-47.3178-64.9-175.5-68.800111.6Y243 H247 L248 H249 L255 S337 A341 I362 L364Y243-M251 HydrophobicContact CE1-CE 4.49Å; H247-M251 WeakPolarHBondContact O-CG 3.31Å; H247-M251 PolarHBondContact O-N 3.23Å; L248-M251 HydrophobicContact CD1-CE 4.08Å; L248-M251 PolarHBondContact O-N 3.34Å; H249-M251 PolarHBondContact O-N 3.48Å; M251-L255 VanDerWaalsContact O-CG 3.29Å; M251-L255 WeakPolarHBondContact O-CG 3.49Å; M251-L255 PolarHBondContact O-N 2.74Å; M251-L255 VanDerWaalsContact O-N 3.09Å; M251-S337 WeakPolarHBondContact CG-O 3.29Å; M251-S337 VanDerWaalsContact SD-O 3.35Å; M251-A341 HydrophobicContact SD-CB 3.65Å; M251-A341 PolarHBondContact SD-N 3.39Å; M251-I362 HydrophobicContact CB-CD1 3.8Å; M251-I362 HydrophobicContact CE-CD1 4.49Å; M251-I362 HydrophobicContact CE-CG2 4.11Å; M251-I362 HydrophobicContact SD-CD1 4.46Å; M251-I362 HydrophobicContact SD-CG2 4.27Å; M251-L364 HydrophobicContact CE-CD2 4.29Å
252L98.8Very high97.6Very high0 Ų022.2 Ų22.20%012%0.121CC..Hα-helixtrans-64.7-44.9-178.6-67167.2000111.4V203 V204 A207 L248 H249 E254 L255 F256 I289 I291 I362V203-L252 HydrophobicContact CG1-CD1 4.04Å; V204-L252 HydrophobicContact CB-CD1 4.41Å; V204-L252 HydrophobicContact CG2-CD1 3.68Å; V204-L252 HydrophobicContact CG2-CD2 4.12Å; A207-L252 HydrophobicContact CB-CB 3.59Å; L248-L252 HydrophobicContact CD1-CD1 3.69Å; L248-L252 HydrophobicContact CD1-CG 4.04Å; L248-L252 HydrophobicContact CD2-CD1 4.45Å; L248-L252 HydrophobicContact CG-CD1 3.67Å; L248-L252 HydrophobicContact CG-CG 4.44Å; L248-L252 VanDerWaalsContact O-CG 3.32Å; L248-L252 WeakPolarHBondContact O-CG 3.2Å; L248-L252 PolarHBondContact O-N 3.4Å; H249-L252 PolarHBondContact O-N 2.96Å; L252-E254 PolarHBondContact O-N 3.42Å; L252-L255 PolarHBondContact O-N 2.81Å; L252-F256 HydrophobicContact CB-CD2 4.24Å; L252-F256 HydrophobicContact CB-CE2 4.08Å; L252-F256 WeakPolarHBondContact O-CB 3.32Å; L252-F256 WeakPolarHBondContact O-CD2 3.44Å; L252-F256 WeakPolarHBondContact O-CG 3.47Å; L252-F256 PolarHBondContact O-N 3.28Å; L252-I289 HydrophobicContact CD2-CD1 4.35Å; L252-I289 HydrophobicContact CD2-CG2 4Å; L252-I291 HydrophobicContact CD2-CD1 3.88Å; L252-I362 HydrophobicContact CD2-CD1 3.99Å; L252-I362 HydrophobicContact CG-CD1 4.45Å
253F97.8Very high97.6Very high38 Ų3821 Ų2117%0.16711%0.113CC..Hα-helixtrans-59.8-44.7179.2172.7-101.6000112.3A207 C210 S211 L214 H249 K257A207-F253 HydrophobicContact CB-CB 4.33Å; C210-F253 HydrophobicContact CB-CD2 3.94Å; C210-F253 HydrophobicContact CB-CE2 4Å; S211-F253 WeakPolarHBondContact OG-CD2 3.4Å; S211-F253 PolarHBondContact OG-O 3.49Å; S211-F253 VanDerWaalsContact OG-O 3.04Å; L214-F253 HydrophobicContact CD1-CE2 3.76Å; L214-F253 HydrophobicContact CD1-CZ 3.46Å; L214-F253 VanDerWaalsContact CD1-CZ 3.46Å; H249-F253 WeakPolarHBondContact O-CB 3.39Å; H249-F253 PolarHBondContact O-N 2.81Å; F253-K257 HydrophobicContact CD1-CD 3.9Å; F253-K257 HydrophobicContact CE1-CD 3.4Å; F253-K257 HydrophobicContact CE1-CG 4.49Å; F253-K257 HydrophobicContact CE2-CD 4.06Å; F253-K257 HydrophobicContact CE2-CG 4.42Å; F253-K257 HydrophobicContact CG-CD 4.44Å; F253-K257 HydrophobicContact CZ-CD 3.51Å; F253-K257 HydrophobicContact CZ-CG 4.32Å; F253-K257 VanDerWaalsContact O-CG 3.31Å; F253-K257 WeakPolarHBondContact O-CG 3.31Å; F253-K257 PolarHBondContact O-N 3.34Å
254E96.8Very high97.5Very high27 Ų2721.3 Ų21.313%0.12612%0.116CC..Hα-helixtrans-68.2-38.2177.2-73.2-62.6122.500112.1H250 L252 K257 N258 G333H250-E254 PolarHBondContact O-N 2.61Å; H250-E254 VanDerWaalsContact O-N 3.15Å; L252-E254 PolarHBondContact O-N 3.42Å; E254-K257 IonicContact OE1-NZ 3.5Å; E254-K257 PolarHBondContact OE1-NZ 3.32Å; E254-K257 IonicContact OE2-NZ 2.82Å; E254-K257 PolarHBondContact OE2-NZ 2.89Å; E254-N258 VanDerWaalsContact O-CG 3.3Å; E254-N258 PolarHBondContact O-N 3.09Å; E254-N258 PolarHBondContact O-ND2 3.22Å; E254-N258 VanDerWaalsContact O-ND2 3.09Å; E254-G333 VanDerWaalsContact OE2-CA 3.26Å; E254-G333 WeakPolarHBondContact OE2-CA 3.23Å
255L98.3Very high97.4Very high9 Ų925.9 Ų25.95%0.04714%0.137CC..Hα-helixtrans-67.6-42.1175.3-69.2179.9000112.4M251 L252 N258 A259 I291 L334 L348 A360 I362M251-L255 VanDerWaalsContact O-CG 3.29Å; M251-L255 WeakPolarHBondContact O-CG 3.49Å; M251-L255 PolarHBondContact O-N 2.74Å; M251-L255 VanDerWaalsContact O-N 3.09Å; L252-L255 PolarHBondContact O-N 2.81Å; L255-N258 PolarHBondContact O-N 2.94Å; L255-A259 WeakPolarHBondContact O-CB 3.48Å; L255-A259 PolarHBondContact O-N 3.01Å; L255-I291 HydrophobicContact CB-CD1 3.8Å; L255-I291 HydrophobicContact CD1-CD1 3.93Å; L255-L334 HydrophobicContact CD2-CD1 3.7Å; L255-L348 HydrophobicContact CD1-CD1 4.13Å; L255-L348 HydrophobicContact CD2-CD1 4.29Å; L255-L348 HydrophobicContact CD2-CD2 4.48Å; L255-L348 HydrophobicContact CG-CD1 4.43Å; L255-A360 HydrophobicContact CD1-CB 3.93Å; L255-A360 HydrophobicContact CD2-CB 3.87Å; L255-A360 HydrophobicContact CG-CB 4.43Å; L255-I362 HydrophobicContact CD1-CD1 3.8Å; L255-I362 HydrophobicContact CD1-CG1 3.94Å
256F98.6Very high97.3Very high0 Ų029.2 Ų29.20%015%0.15CC..Hα-helixtrans-64.1-43.1176.9-77-50.6000112.1V204 A207 F208 S211 L225 L252 N258 A259 M260 I276 V278 I291V204-F256 HydrophobicContact CG1-CE2 4.34Å; V204-F256 HydrophobicContact CG1-CZ 3.99Å; V204-F256 WeakPolarHBondContact O-CE2 3.44Å; A207-F256 HydrophobicContact CB-CD2 4.15Å; A207-F256 HydrophobicContact CB-CE2 4.25Å; F208-F256 HydrophobicContact CB-CD2 4Å; F208-F256 HydrophobicContact CB-CE1 4.43Å; F208-F256 HydrophobicContact CB-CE2 3.77Å; F208-F256 HydrophobicContact CB-CG 4.44Å; F208-F256 HydrophobicContact CB-CZ 4Å; F208-F256 AromaticContact CD2-CD1 3.73Å; F208-F256 HydrophobicContact CD2-CD1 3.73Å; F208-F256 AromaticContact CD2-CE1 3.72Å; F208-F256 HydrophobicContact CD2-CE1 3.72Å; F208-F256 HydrophobicContact CD2-CG 4.17Å; F208-F256 HydrophobicContact CD2-CZ 4.12Å; S211-F256 WeakPolarHBondContact OG-CB 3.43Å; L225-F256 HydrophobicContact CD1-CE1 4.36Å; L225-F256 HydrophobicContact CD1-CZ 4.46Å; L252-F256 HydrophobicContact CB-CD2 4.24Å; L252-F256 HydrophobicContact CB-CE2 4.08Å; L252-F256 WeakPolarHBondContact O-CB 3.32Å; L252-F256 WeakPolarHBondContact O-CD2 3.44Å; L252-F256 WeakPolarHBondContact O-CG 3.47Å; L252-F256 PolarHBondContact O-N 3.28Å; F256-N258 VanDerWaalsContact C-N 3.29Å; F256-N258 PolarHBondContact O-N 2.9Å; F256-A259 PolarHBondContact O-N 3.5Å; F256-M260 VanDerWaalsContact O-CB 3.27Å; F256-M260 WeakPolarHBondContact O-CB 3.43Å; F256-M260 WeakPolarHBondContact O-CG 3.49Å; F256-M260 PolarHBondContact O-N 3.33Å; F256-I276 HydrophobicContact CD1-CG2 4.21Å; F256-I276 HydrophobicContact CE1-CG2 4.02Å; F256-V278 HydrophobicContact CE1-CG2 3.68Å; F256-V278 HydrophobicContact CZ-CG2 3.82Å; F256-I291 HydrophobicContact CD1-CD1 4.41Å; F256-I291 HydrophobicContact CD1-CG2 4.22Å; F256-I291 HydrophobicContact CE1-CD1 4.08Å; F256-I291 HydrophobicContact CE1-CG1 4.45Å; F256-I291 HydrophobicContact CE1-CG2 3.99Å; F256-I291 HydrophobicContact CE2-CD1 4.49Å; F256-I291 HydrophobicContact CZ-CD1 4.13Å
257K95.8Very high97.2Very high16 Ų1625.9 Ų25.97%0.0713%0.127CC..Hα-helixtrans-54.3-46.1172.6-77.717045.1-174.30112.1F253 E254 R261 L327F253-K257 HydrophobicContact CD1-CD 3.9Å; F253-K257 HydrophobicContact CE1-CD 3.4Å; F253-K257 HydrophobicContact CE1-CG 4.49Å; F253-K257 HydrophobicContact CE2-CD 4.06Å; F253-K257 HydrophobicContact CE2-CG 4.42Å; F253-K257 HydrophobicContact CG-CD 4.44Å; F253-K257 HydrophobicContact CZ-CD 3.51Å; F253-K257 HydrophobicContact CZ-CG 4.32Å; F253-K257 VanDerWaalsContact O-CG 3.31Å; F253-K257 WeakPolarHBondContact O-CG 3.31Å; F253-K257 PolarHBondContact O-N 3.34Å; E254-K257 IonicContact OE1-NZ 3.5Å; E254-K257 PolarHBondContact OE1-NZ 3.32Å; E254-K257 IonicContact OE2-NZ 2.82Å; E254-K257 PolarHBondContact OE2-NZ 2.89Å; K257-R261 VanDerWaalsContact O-CB 3.25Å; K257-R261 WeakPolarHBondContact O-CB 3.46Å; K257-R261 PolarHBondContact O-N 3.25Å; K257-L327 HydrophobicContact CB-CD1 4.32Å; K257-L327 HydrophobicContact CD-CD1 4.49Å; K257-L327 WeakPolarHBondContact CE-O 3.5Å; K257-L327 HydrophobicContact CG-CD1 3.91Å; K257-L327 PolarHBondContact NZ-O 3.32Å
258N95.8Very high96.8Very high63 Ų6332.7 Ų32.734%0.33716%0.158SC..Hα-helixtrans-65.5-46.1179.5-70-31.4000111.8E254 L255 F256 A262E254-N258 VanDerWaalsContact O-CG 3.3Å; E254-N258 PolarHBondContact O-N 3.09Å; E254-N258 PolarHBondContact O-ND2 3.22Å; E254-N258 VanDerWaalsContact O-ND2 3.09Å; L255-N258 PolarHBondContact O-N 2.94Å; F256-N258 VanDerWaalsContact C-N 3.29Å; F256-N258 PolarHBondContact O-N 2.9Å; N258-A262 WeakPolarHBondContact O-CB 3.37Å; N258-A262 PolarHBondContact O-N 3.44Å
259A97.9Very high96.3Very high4 Ų440.4 Ų40.43%0.03320%0.199CC..Hα-helixtrans-63.7-43.1178.700000112.3L255 F256 T263 I276 D293L255-A259 WeakPolarHBondContact O-CB 3.48Å; L255-A259 PolarHBondContact O-N 3.01Å; F256-A259 PolarHBondContact O-N 3.5Å; A259-T263 VanDerWaalsContact O-CB 3.3Å; A259-T263 WeakPolarHBondContact O-CB 3.44Å; A259-T263 PolarHBondContact O-N 3.49Å; A259-T263 PolarHBondContact O-OG1 3.44Å; A259-I276 HydrophobicContact CB-CD1 3.75Å; A259-I276 HydrophobicContact CB-CG1 4.35Å; A259-D293 HydrophobicContact CB-CB 3.95Å
260M97.8Very high95.9Very high0 Ų045.5 Ų45.50%022%0.217CC..Hα-helixtrans-63.4-51.3176.8-73.1177.3175.700110.9F208 S211 R212 C215 P223 F256 A262 T263 V264 I276F208-M260 HydrophobicContact CD1-CE 4.43Å; F208-M260 HydrophobicContact CD2-CE 3.57Å; F208-M260 HydrophobicContact CE1-CE 4.2Å; F208-M260 HydrophobicContact CE2-CE 3.31Å; F208-M260 HydrophobicContact CG-CE 4.14Å; F208-M260 HydrophobicContact CZ-CE 3.65Å; S211-M260 VanDerWaalsContact C-SD 3.51Å; R212-M260 HydrophobicContact CB-CE 3.91Å; C215-M260 HydrophobicContact CB-CB 4.29Å; C215-M260 HydrophobicContact CB-SD 3.82Å; P223-M260 HydrophobicContact CG-CB 4.38Å; P223-M260 HydrophobicContact CG-CG 3.84Å; F256-M260 VanDerWaalsContact O-CB 3.27Å; F256-M260 WeakPolarHBondContact O-CB 3.43Å; F256-M260 WeakPolarHBondContact O-CG 3.49Å; F256-M260 PolarHBondContact O-N 3.33Å; M260-A262 PolarHBondContact O-N 3.35Å; M260-T263 PolarHBondContact O-N 3.24Å; M260-V264 VanDerWaalsContact O-CG2 3.32Å; M260-V264 WeakPolarHBondContact O-CG2 3.27Å; M260-V264 PolarHBondContact O-N 2.93Å; M260-I276 HydrophobicContact CB-CD1 4.44Å; M260-I276 HydrophobicContact CG-CD1 3.56Å
261R95.1Very high95.4Very high45 Ų4549.6 Ų49.617%0.1725%0.248CC..Hα-helixtrans-54.1-51.8176.3171.3166.7-177.7-144.1-4.7111.6Y219 K257 T263 V264 E265 L327 A328Y219-R261 WeakPolarHBondContact OH-CG 3.44Å; K257-R261 VanDerWaalsContact O-CB 3.25Å; K257-R261 WeakPolarHBondContact O-CB 3.46Å; K257-R261 PolarHBondContact O-N 3.25Å; R261-T263 VanDerWaalsContact C-N 3.33Å; R261-T263 PolarHBondContact O-N 3.33Å; R261-V264 PolarHBondContact O-N 2.93Å; R261-E265 HydrophobicContact CG-CG 4.35Å; R261-E265 WeakPolarHBondContact CG-OE1 3.39Å; R261-E265 IonicContact CZ-OE1 3.63Å; R261-E265 IonicContact NE-OE1 2.9Å; R261-E265 PolarHBondContact NE-OE1 2.88Å; R261-E265 IonicContact NE-OE2 3.6Å; R261-E265 IonicContact NH2-OE1 3.54Å; R261-E265 IonicContact NH2-OE2 3.86Å; R261-E265 WeakPolarHBondContact O-CB 3.11Å; R261-E265 WeakPolarHBondContact O-CG 3.22Å; R261-E265 PolarHBondContact O-N 3.43Å; R261-L327 HydrophobicContact CB-CD2 4.27Å; R261-A328 VanDerWaalsContact NH1-CB 3.32Å
262A95.9Very high95.2Very high30 Ų3053.7 Ų53.725%0.24828%0.277CS..Hα-helixtrans-62-41-179.400000112N258 M260 H266 G295N258-A262 WeakPolarHBondContact O-CB 3.37Å; N258-A262 PolarHBondContact O-N 3.44Å; M260-A262 PolarHBondContact O-N 3.35Å; A262-H266 WeakPolarHBondContact O-CB 3.32Å; A262-H266 PolarHBondContact O-N 2.98Å; A262-G295 WeakPolarHBondContact O-CA 2.83Å
263T97.8Very high95.1Very high0 Ų055.4 Ų55.40%029%0.286CS..Hα-helixtrans-66.1-47.2179.4-58.20000111.7P223 A259 M260 R261 Q267 L273P223-T263 HydrophobicContact CB-CG2 4.28Å; A259-T263 VanDerWaalsContact O-CB 3.3Å; A259-T263 WeakPolarHBondContact O-CB 3.44Å; A259-T263 PolarHBondContact O-N 3.49Å; A259-T263 PolarHBondContact O-OG1 3.44Å; M260-T263 PolarHBondContact O-N 3.24Å; R261-T263 VanDerWaalsContact C-N 3.33Å; R261-T263 PolarHBondContact O-N 3.33Å; T263-Q267 VanDerWaalsContact O-CB 3.27Å; T263-Q267 WeakPolarHBondContact O-CB 3.42Å; T263-Q267 WeakPolarHBondContact O-CG 3.18Å; T263-Q267 PolarHBondContact O-N 3.39Å; T263-L273 HydrophobicContact CG2-CB 4.45Å
264V96.6Very high95.1Very high9 Ų955.2 Ų55.26%0.05529%0.288CS..Hα-helixtrans-64.8-50.5179.8175.70000110.9Y219 T221 M260 R261 H266 Q267 E268 L273Y219-V264 HydrophobicContact CD1-CG1 3.7Å; Y219-V264 HydrophobicContact CD2-CB 4.44Å; Y219-V264 HydrophobicContact CD2-CG1 4.19Å; Y219-V264 HydrophobicContact CE1-CG1 4.31Å; Y219-V264 HydrophobicContact CG-CB 4.38Å; Y219-V264 HydrophobicContact CG-CG1 3.66Å; T221-V264 HydrophobicContact CG2-CG1 4.27Å; M260-V264 VanDerWaalsContact O-CG2 3.32Å; M260-V264 WeakPolarHBondContact O-CG2 3.27Å; M260-V264 PolarHBondContact O-N 2.93Å; R261-V264 PolarHBondContact O-N 2.93Å; V264-H266 VanDerWaalsContact C-N 3.31Å; V264-H266 PolarHBondContact O-N 3.01Å; V264-Q267 PolarHBondContact O-N 3.03Å; V264-E268 PolarHBondContact O-N 3.32Å; V264-L273 HydrophobicContact CG2-CD1 3.79Å
265E94.8Very high95.2Very high95 Ų9556.3 Ų56.344%0.44430%0.297SS..Hα-helixtrans-62.9-36.4-179.4-70.3178.5-178.600112Y219 R261Y219-E265 HydrophobicContact CE1-CG 4.16Å; Y219-E265 PolarHBondContact OH-OE1 3.36Å; R261-E265 HydrophobicContact CG-CG 4.35Å; R261-E265 WeakPolarHBondContact CG-OE1 3.39Å; R261-E265 IonicContact CZ-OE1 3.63Å; R261-E265 IonicContact NE-OE1 2.9Å; R261-E265 PolarHBondContact NE-OE1 2.88Å; R261-E265 IonicContact NE-OE2 3.6Å; R261-E265 IonicContact NH2-OE1 3.54Å; R261-E265 IonicContact NH2-OE2 3.86Å; R261-E265 WeakPolarHBondContact O-CB 3.11Å; R261-E265 WeakPolarHBondContact O-CG 3.22Å; R261-E265 PolarHBondContact O-N 3.43Å
266H95.8Very high95.2Very high93 Ų9355.9 Ų55.943%0.43130%0.295SS..Hα-helixtrans-76.8-29.5179.5-173.664.8000113.5A262 V264 G296A262-H266 WeakPolarHBondContact O-CB 3.32Å; A262-H266 PolarHBondContact O-N 2.98Å; V264-H266 VanDerWaalsContact C-N 3.31Å; V264-H266 PolarHBondContact O-N 3.01Å; H266-G296 PolarHBondContact CD2-N 3.09Å
267Q95Very high95.2Very high5 Ų558.5 Ų58.52%0.02331%0.308CS..Hα-helixtrans-113.517.1-172.1-57.1-176.19.300113.5T263 V264 N269 R270 L273 T274 R294T263-Q267 VanDerWaalsContact O-CB 3.27Å; T263-Q267 WeakPolarHBondContact O-CB 3.42Å; T263-Q267 WeakPolarHBondContact O-CG 3.18Å; T263-Q267 PolarHBondContact O-N 3.39Å; V264-Q267 PolarHBondContact O-N 3.03Å; Q267-N269 PolarHBondContact O-N 2.67Å; Q267-R270 HydrophobicContact CB-CB 4.27Å; Q267-R270 HydrophobicContact CB-CG 4.17Å; Q267-R270 WeakPolarHBondContact O-CB 3.41Å; Q267-R270 PolarHBondContact O-N 3.21Å; Q267-L273 HydrophobicContact CB-CD2 3.83Å; Q267-T274 PolarHBondContact NE2-OG1 3.04Å; Q267-T274 PolarHBondContact OE1-OG1 3.19Å; Q267-R294 PolarHBondContact NE2-O 3Å
268E90.1Very high95.4Very high156 Ų15657.8 Ų57.873%0.72930%0.304SS*.THydrogen-bonded Turntrans-49.9-34.4-177.8-171.8179.4-163.400113.6V264V264-E268 PolarHBondContact O-N 3.32Å
269N89Confident95.5Very high162 Ų16257.6 Ų57.687%0.86630%0.303SS*.THydrogen-bonded Turntrans-91.95.9-179.8-64.3-57.8000114.5Q267Q267-N269 PolarHBondContact O-N 2.67Å
270R90.1Very high95.5Very high150 Ų15057.4 Ų57.457%0.56630%0.301SS*.SBendtrans-92.7149.1178.5-66.2-164.4176.5-1570.2110.8Q267 S272Q267-R270 HydrophobicContact CB-CB 4.27Å; Q267-R270 HydrophobicContact CB-CG 4.17Å; Q267-R270 WeakPolarHBondContact O-CB 3.41Å; Q267-R270 PolarHBondContact O-N 3.21Å; R270-S272 PolarHBondContact O-N 2.88Å
271P88.2Confident95.6Very high139 Ų13959.9 Ų59.990%0.90332%0.316SS*.SBendtrans-67.2-23.5-179.727.4-35.7000113.4
272S93.6Very high95.7Very high86 Ų8658.2 Ų58.260%0.60131%0.31SS*.SBendtrans-148.4150.1175.659.20000110.6R270R270-S272 PolarHBondContact O-N 2.88Å
273L97.3Very high95.7Very high36 Ų3658 Ų5819%0.18831%0.312CS..PPolyproline II helixtrans-83.1140.6175.6-59.3175.9000109.9T221 P223 T263 V264 Q267T221-L273 HydrophobicContact CG2-CD1 4.01Å; P223-L273 HydrophobicContact CB-CB 4.24Å; T263-L273 HydrophobicContact CG2-CB 4.45Å; V264-L273 HydrophobicContact CG2-CD1 3.79Å; Q267-L273 HydrophobicContact CB-CD2 3.83Å
274T97.6Very high95.5Very high35 Ų3566.8 Ų66.822%0.21535%0.35CS..PPolyproline II helixtrans-67.8140.3169.5530000110.6P223 Q267 R294P223-T274 WeakPolarHBondContact CB-O 3.44Å; Q267-T274 PolarHBondContact NE2-OG1 3.04Å; Q267-T274 PolarHBondContact OE1-OG1 3.19Å; T274-R294 HydrophobicContact CG2-CB 4.24Å; T274-R294 HydrophobicContact CG2-CG 4.23Å; T274-R294 WeakPolarHBondContact OG1-CB 3.25Å
275P98.2Very high95.4Very high49 Ų4972.1 Ų72.132%0.31837%0.374SS..PPolyproline II helixtrans-66.1151.6177.229.1-35.3000111.3E224 K226E224-P275 HydrophobicContact CB-CB 4.29Å; E224-P275 CarbonylContact O-C 3.59Å; E224-P275 WeakPolarHBondContact O-CA 3.24Å; E224-P275 WeakPolarHBondContact O-CB 3.48Å; K226-P275 HydrophobicContact CB-CB 4.31Å
276I98.8Very high95.4Very high0 Ų070.3 Ų70.30%037%0.368CS..EExtended strand (participates in β ladder)trans-79.9121.3166.7-64.2172.8000107.3F208 P223 E224 K226 F256 A259 M260 V278 I291F208-I276 HydrophobicContact CE2-CB 4.47Å; F208-I276 HydrophobicContact CE2-CD1 4.32Å; P223-I276 HydrophobicContact CB-CD1 4.48Å; P223-I276 HydrophobicContact CB-CG1 4.2Å; P223-I276 HydrophobicContact CG-CD1 3.6Å; P223-I276 HydrophobicContact CG-CG1 3.83Å; E224-I276 PolarHBondContact O-N 2.64Å; K226-I276 PolarHBondContact N-O 3.27Å; F256-I276 HydrophobicContact CD1-CG2 4.21Å; F256-I276 HydrophobicContact CE1-CG2 4.02Å; A259-I276 HydrophobicContact CB-CD1 3.75Å; A259-I276 HydrophobicContact CB-CG1 4.35Å; M260-I276 HydrophobicContact CB-CD1 4.44Å; M260-I276 HydrophobicContact CG-CD1 3.56Å; I276-V278 HydrophobicContact CG2-CG2 4.32Å; I276-I291 HydrophobicContact CG2-CG2 3.6Å
277E98.8Very high95.5Very high56 Ų5665.9 Ų65.926%0.26235%0.347SS..EExtended strand (participates in β ladder)trans-92.9128.9-179.9-56.9-168.1137.200109.9K226 S292 R294K226-E277 HydrophobicContact CB-CG 4.37Å; K226-E277 HydrophobicContact CD-CG 4.2Å; K226-E277 IonicContact NZ-OE1 2.75Å; K226-E277 PolarHBondContact NZ-OE1 3.47Å; K226-E277 CarbonylContact O-C 3.57Å; K226-E277 WeakPolarHBondContact O-CA 3.43Å; E277-S292 PolarHBondContact N-O 3.23Å; E277-S292 PolarHBondContact O-N 3Å; E277-R294 IonicContact OE2-NH2 3.66Å
278V98.9Very high95.7Very high0 Ų067.2 Ų67.20%036%0.356CS..EExtended strand (participates in β ladder)trans-122.7130177.6-177.10000109.9V204 L225 K226 L227 T228 F256 I276 V280 I289 K290 I291V204-V278 HydrophobicContact CG1-CG1 4.01Å; L225-V278 HydrophobicContact CD1-CB 4.16Å; L225-V278 HydrophobicContact CD1-CG2 3.53Å; K226-V278 PolarHBondContact O-N 3.27Å; L227-V278 CarbonylContact C-O 3.59Å; L227-V278 WeakPolarHBondContact CA-O 3.17Å; L227-V278 HydrophobicContact CD1-CB 3.67Å; L227-V278 HydrophobicContact CD1-CG1 3.6Å; T228-V278 PolarHBondContact N-O 2.99Å; F256-V278 HydrophobicContact CE1-CG2 3.68Å; F256-V278 HydrophobicContact CZ-CG2 3.82Å; I276-V278 HydrophobicContact CG2-CG2 4.32Å; V278-V280 HydrophobicContact CG1-CG2 4.27Å; V278-I289 HydrophobicContact CG1-CG2 4.02Å; V278-K290 CarbonylContact C-O 3.49Å; V278-K290 VanDerWaalsContact CA-O 3.26Å; V278-K290 WeakPolarHBondContact CA-O 3.21Å; V278-I291 HydrophobicContact CG1-CG1 4.42Å; V278-I291 HydrophobicContact CG2-CG1 4.17Å; V278-I291 HydrophobicContact CG2-CG2 4.32Å
279I98.7Very high96.1Very high59 Ų5959.9 Ų59.930%0.30332%0.321SS..EExtended strand (participates in β ladder)trans-120.7119.4176-50.9178.7000108.4T228 V281 I289 K290T228-I279 CarbonylContact O-C 3.51Å; T228-I279 WeakPolarHBondContact O-CA 3.13Å; I279-V281 HydrophobicContact CG2-CG2 3.78Å; I279-I289 WeakPolarHBondContact O-CA 3.35Å; I279-K290 HydrophobicContact CB-CB 4.49Å; I279-K290 PolarHBondContact N-O 2.89Å; I279-K290 PolarHBondContact O-N 3.24Å
280V98.6Very high96.6Very high0 Ų055.1 Ų55.10%029%0.293CS..EExtended strand (participates in β ladder)trans-106.4121.7174.5-1740000108.5V200 V204 L227 T228 Q229 V230 I239 V278 L287 T288 I289V200-V280 HydrophobicContact CB-CG1 4.4Å; V200-V280 HydrophobicContact CG1-CG1 3.69Å; V204-V280 HydrophobicContact CG2-CG2 4.35Å; L227-V280 HydrophobicContact CD1-CG2 4.03Å; T228-V280 PolarHBondContact O-N 2.78Å; Q229-V280 CarbonylContact C-O 3.5Å; Q229-V280 VanDerWaalsContact CA-O 3.29Å; Q229-V280 WeakPolarHBondContact CA-O 3.41Å; Q229-V280 HydrophobicContact CB-CB 4.48Å; V230-V280 PolarHBondContact N-O 2.8Å; I239-V280 HydrophobicContact CD1-CB 4.17Å; I239-V280 HydrophobicContact CD1-CG1 3.65Å; I239-V280 HydrophobicContact CG2-CG1 4.26Å; V278-V280 HydrophobicContact CG1-CG2 4.27Å; V280-L287 HydrophobicContact CG1-CD1 3.93Å; V280-T288 CarbonylContact C-O 3.59Å; V280-T288 WeakPolarHBondContact CA-O 3.3Å; V280-I289 HydrophobicContact CG1-CG1 4.27Å; V280-I289 HydrophobicContact CG2-CG1 4.41Å; V280-I289 HydrophobicContact CG2-CG2 4.31Å
281V98.4Very high97Very high53 Ų5348.2 Ų48.232%0.32127%0.267SS..EExtended strand (participates in β ladder)trans-124.9123.4-179.1-173.60000109.7V230 I279 L287 T288V230-V281 HydrophobicContact CB-CG1 4.39Å; V230-V281 HydrophobicContact CB-CG2 4.29Å; V230-V281 WeakPolarHBondContact O-CA 3.34Å; I279-V281 HydrophobicContact CG2-CG2 3.78Å; V281-L287 WeakPolarHBondContact O-CA 3.19Å; V281-T288 PolarHBondContact N-O 3.15Å; V281-T288 PolarHBondContact O-N 3.49Å
282L98.3Very high97.5Very high9 Ų941.8 Ų41.85%0.04723%0.226CC..EExtended strand (participates in β ladder)trans-101.5109.6170.4-177.963.3000109.8V230 G232 K233 I239 I241 L287 A366V230-L282 PolarHBondContact O-N 3.08Å; G232-L282 WeakPolarHBondContact CA-O 3.49Å; G232-L282 PolarHBondContact N-O 3.38Å; K233-L282 HydrophobicContact CB-CD2 4.46Å; I239-L282 HydrophobicContact CD1-CB 4.09Å; I239-L282 HydrophobicContact CG1-CB 4.07Å; I239-L282 HydrophobicContact CG2-CB 3.89Å; I239-L282 HydrophobicContact CG2-CD2 4.22Å; I239-L282 HydrophobicContact CG2-CG 4.48Å; I241-L282 HydrophobicContact CG2-CD1 4.06Å; L282-L287 HydrophobicContact CB-CD1 4.3Å; L282-L287 HydrophobicContact CD1-CB 4.19Å; L282-L287 HydrophobicContact CD1-CD1 4.21Å; L282-A366 HydrophobicContact CD1-CB 3.84Å
283G96.1Very high97.7Very high27 Ų2738.3 Ų38.328%0.27820%0.2SC..  trans-90.2-164.5171.600000112.7D286G283-D286 WeakPolarHBondContact CA-O 3.26Å; G283-D286 PolarHBondContact N-O 3.43Å
284K93Very high97.8Very high184 Ų18439.6 Ų39.680%0.820%0.203SC*.SBendtrans-73.8-42.9174.7-68.4-176.6179.5178.80112.3
285E93.5Very high97.8Very high120 Ų12038.4 Ų38.456%0.56120%0.197SC*.SBendtrans-107.3-33.9-173.9-65.4178.4-167.400112.3A366E285-A366 WeakPolarHBondContact O-CB 3.36Å; E285-A366 PolarHBondContact O-N 3.32Å
286D95.3Very high97.6Very high58 Ų5836.5 Ų36.531%0.3119%0.187SC..EExtended strand (participates in β ladder)trans-122.3141.2-171.5-54.1-48.3000112.2G283 L364 K365G283-D286 WeakPolarHBondContact CA-O 3.26Å; G283-D286 PolarHBondContact N-O 3.43Å; D286-L364 CarbonylContact C-O 3.47Å; D286-L364 WeakPolarHBondContact CA-O 3.27Å; D286-K365 IonicContact OD1-NZ 3.68Å; D286-K365 PolarHBondContact OD1-NZ 3.32Å
287L98.4Very high97.5Very high0 Ų037.5 Ų37.50%020%0.197CC..EExtended strand (participates in β ladder)trans-95.2125156.7173.474.7000107.6V200 I239 I241 V280 V281 L282 L364V200-L287 HydrophobicContact CG1-CD2 4.12Å; V200-L287 HydrophobicContact CG2-CD1 4.4Å; V200-L287 HydrophobicContact CG2-CD2 3.67Å; I239-L287 HydrophobicContact CG2-CD1 3.52Å; I241-L287 HydrophobicContact CD1-CD2 3.4Å; I241-L287 HydrophobicContact CG1-CD2 4Å; I241-L287 HydrophobicContact CG2-CB 4.48Å; I241-L287 HydrophobicContact CG2-CD2 4.18Å; V280-L287 HydrophobicContact CG1-CD1 3.93Å; V281-L287 WeakPolarHBondContact O-CA 3.19Å; L282-L287 HydrophobicContact CB-CD1 4.3Å; L282-L287 HydrophobicContact CD1-CB 4.19Å; L282-L287 HydrophobicContact CD1-CD1 4.21Å; L287-L364 HydrophobicContact CB-CB 4.29Å; L287-L364 HydrophobicContact CD2-CB 4.49Å; L287-L364 HydrophobicContact CD2-CD1 4.15Å; L287-L364 PolarHBondContact N-O 3.18Å; L287-L364 PolarHBondContact O-N 2.97Å
288T98.7Very high97.3Very high33 Ų3336.2 Ų36.220%0.20219%0.193CC..EExtended strand (participates in β ladder)trans-118131.6178.9-55.80000110.3V280 V281 V361 I362 Y363V280-T288 CarbonylContact C-O 3.59Å; V280-T288 WeakPolarHBondContact CA-O 3.3Å; V281-T288 PolarHBondContact N-O 3.15Å; V281-T288 PolarHBondContact O-N 3.49Å; T288-V361 HydrophobicContact CG2-CG1 3.5Å; T288-I362 CarbonylContact C-O 3.6Å; T288-I362 WeakPolarHBondContact CA-O 3.16Å; T288-Y363 HydrophobicContact CG2-CD1 4.07Å; T288-Y363 HydrophobicContact CG2-CE1 3.82Å
289I98.9Very high97.2Very high1 Ų138.5 Ų38.51%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-121116.2173.3-53.9169000107.8V200 L248 L252 V278 I279 V280 I291 V361 I362V200-I289 HydrophobicContact CG1-CD1 3.75Å; V200-I289 HydrophobicContact CG1-CG1 4.28Å; L248-I289 HydrophobicContact CD1-CD1 3.68Å; L252-I289 HydrophobicContact CD2-CD1 4.35Å; L252-I289 HydrophobicContact CD2-CG2 4Å; V278-I289 HydrophobicContact CG1-CG2 4.02Å; I279-I289 WeakPolarHBondContact O-CA 3.35Å; V280-I289 HydrophobicContact CG1-CG1 4.27Å; V280-I289 HydrophobicContact CG2-CG1 4.41Å; V280-I289 HydrophobicContact CG2-CG2 4.31Å; I289-I291 HydrophobicContact CG2-CG1 4.41Å; I289-V361 CarbonylContact O-C 3.52Å; I289-V361 WeakPolarHBondContact O-CA 3.45Å; I289-I362 HydrophobicContact CB-CB 4.37Å; I289-I362 PolarHBondContact N-O 3.02Å; I289-I362 PolarHBondContact O-N 3.36Å
290K98.9Very high96.9Very high63 Ų6342.7 Ų42.727%0.27423%0.23SC..EExtended strand (participates in β ladder)trans-106.9125.1175.3-174.6172.588.1139.60109.9V278 I279 D359 A360 V361V278-K290 CarbonylContact C-O 3.49Å; V278-K290 VanDerWaalsContact CA-O 3.26Å; V278-K290 WeakPolarHBondContact CA-O 3.21Å; I279-K290 HydrophobicContact CB-CB 4.49Å; I279-K290 PolarHBondContact N-O 2.89Å; I279-K290 PolarHBondContact O-N 3.24Å; K290-D359 HydrophobicContact CD-CB 4.43Å; K290-D359 WeakPolarHBondContact CD-OD2 3.29Å; K290-D359 IonicContact NZ-OD2 2.61Å; K290-D359 PolarHBondContact NZ-OD2 3.02Å; K290-A360 CarbonylContact C-O 3.59Å; K290-A360 WeakPolarHBondContact CA-O 3.43Å; K290-V361 HydrophobicContact CB-CG2 4.45Å; K290-V361 HydrophobicContact CD-CG2 4.31Å; K290-V361 HydrophobicContact CG-CG2 4.03Å
291I98.9Very high96.6Very high4 Ų452 Ų522%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-111.4122.3173.9-55.2177.3000107.6L252 L255 F256 I276 V278 I289 D359 A360L252-I291 HydrophobicContact CD2-CD1 3.88Å; L255-I291 HydrophobicContact CB-CD1 3.8Å; L255-I291 HydrophobicContact CD1-CD1 3.93Å; F256-I291 HydrophobicContact CD1-CD1 4.41Å; F256-I291 HydrophobicContact CD1-CG2 4.22Å; F256-I291 HydrophobicContact CE1-CD1 4.08Å; F256-I291 HydrophobicContact CE1-CG1 4.45Å; F256-I291 HydrophobicContact CE1-CG2 3.99Å; F256-I291 HydrophobicContact CE2-CD1 4.49Å; F256-I291 HydrophobicContact CZ-CD1 4.13Å; I276-I291 HydrophobicContact CG2-CG2 3.6Å; V278-I291 HydrophobicContact CG1-CG1 4.42Å; V278-I291 HydrophobicContact CG2-CG1 4.17Å; V278-I291 HydrophobicContact CG2-CG2 4.32Å; I289-I291 HydrophobicContact CG2-CG1 4.41Å; I291-D359 CarbonylContact O-C 3.34Å; I291-D359 WeakPolarHBondContact O-CA 3.37Å; I291-A360 PolarHBondContact N-O 3.15Å; I291-A360 PolarHBondContact O-N 3.05Å
292S98.8Very high96.2Very high5 Ų550.5 Ų50.54%0.03526%0.255CS..EExtended strand (participates in β ladder)trans-120.9125-175.7-69.80000110.3E277 T358 D359E277-S292 PolarHBondContact N-O 3.23Å; E277-S292 PolarHBondContact O-N 3Å; S292-T358 WeakPolarHBondContact CA-O 3.37Å; S292-D359 WeakPolarHBondContact CB-OD1 3.47Å; S292-D359 PolarHBondContact OG-OD1 3.24Å; S292-D359 PolarHBondContact OG-OD2 3.01Å
293D98.6Very high95.9Very high13 Ų1350.8 Ų50.87%0.0726%0.256CS..  trans-11117117472.360.8000112.6A259 G295 G357 T358A259-D293 HydrophobicContact CB-CB 3.95Å; D293-G295 PolarHBondContact OD1-N 3.4Å; D293-G357 WeakPolarHBondContact O-CA 3.35Å; D293-T358 PolarHBondContact N-O 2.82Å; D293-T358 PolarHBondContact OD1-N 2.85Å
294R98.1Very high95.6Very high62 Ų6255.8 Ų55.823%0.23428%0.277CS..  trans-121.841.1167.7-52.4-69.7179.8-1300.8110.7Q267 T274 E277 G296 Y356Q267-R294 PolarHBondContact NE2-O 3Å; T274-R294 HydrophobicContact CG2-CB 4.24Å; T274-R294 HydrophobicContact CG2-CG 4.23Å; T274-R294 WeakPolarHBondContact OG1-CB 3.25Å; E277-R294 IonicContact OE2-NH2 3.66Å; R294-G296 PolarHBondContact O-N 3.26Å; R294-Y356 CarbonylContact C-O 3.6Å; R294-Y356 VanDerWaalsContact CA-O 3.29Å; R294-Y356 WeakPolarHBondContact CA-O 3.34Å; R294-Y356 VanDerWaalsContact CZ-CE1 3.46Å; R294-Y356 PolarHBondContact NE-OH 3.24Å; R294-Y356 PolarHBondContact NH1-OH 2.58Å; R294-Y356 PolarHBondContact NH2-OH 3.49Å; R294-Y356 VanDerWaalsContact NH2-OH 3.15Å
295G97.1Very high95.4Very high10 Ų1053.3 Ų53.310%0.10326%0.262CS..SBendtrans-83.826.2-17800000114.3A262 D293 G297A262-G295 WeakPolarHBondContact O-CA 2.83Å; D293-G295 PolarHBondContact OD1-N 3.4Å; G295-G297 PolarHBondContact O-N 3.43Å
296G95.8Very high95.3Very high9 Ų949.3 Ų49.39%0.09325%0.245CC..  trans79.8-9.6176.300000115.3H266 R294 G355 Y356H266-G296 PolarHBondContact CD2-N 3.09Å; R294-G296 PolarHBondContact O-N 3.26Å; G296-G355 CarbonylContact O-C 3.53Å; G296-G355 VanDerWaalsContact O-CA 3.29Å; G296-G355 WeakPolarHBondContact O-CA 3.32Å; G296-G355 PolarHBondContact O-N 3.16Å; G296-Y356 PolarHBondContact N-O 3.03Å; G296-Y356 PolarHBondContact O-N 2.93Å
297G96.3Very high95.3Very high21 Ų2147.5 Ų47.522%0.21623%0.234CC..  trans67.1-173.6172.700000115G295 S352G295-G297 PolarHBondContact O-N 3.43Å; G297-S352 WeakPolarHBondContact CA-OG 3.35Å
298V95.2Very high94.9Very high30 Ų3048.4 Ų48.418%0.18224%0.24CC..  trans-137.9134.5-168.1-179.80000109.5I302 I303 L306 S352V298-I302 HydrophobicContact CG1-CD1 3.56Å; V298-I302 HydrophobicContact CG1-CG1 3.31Å; V298-I303 HydrophobicContact CB-CD1 3.82Å; V298-I303 HydrophobicContact CG1-CD1 3.82Å; V298-L306 HydrophobicContact CG1-CD1 4.23Å; V298-L306 HydrophobicContact CG2-CD1 4.45Å; V298-S352 PolarHBondContact N-OG 2.96Å
299P95.4Very high94.5Very high47 Ų4747.1 Ų47.131%0.30523%0.232SC..  trans-59.8137.2174.5-2534.4000112.5R301 I302P299-R301 HydrophobicContact CB-CG 4.19Å; P299-R301 PolarHBondContact O-N 3.43Å; P299-I302 WeakPolarHBondContact O-CG1 3.25Å; P299-I302 PolarHBondContact O-N 3.4Å
300L92.6Very high93.8Very high147 Ų14748.3 Ų48.377%0.7724%0.239SC*.Hα-helixtrans-49.6-40.3-177.7-176.462.3000113.2I302 I303L300-I302 PolarHBondContact O-N 2.93Å; L300-I303 HydrophobicContact CD1-CG1 4.48Å; L300-I303 PolarHBondContact O-N 2.95Å; L300-I303 VanDerWaalsContact O-N 3.15Å
301R91.8Very high92.9Very high197 Ų19747.8 Ų47.874%0.74324%0.236SC*.Hα-helixtrans-58.6-16.9-179.270.8175.2178.7841.4115.7P299P299-R301 HydrophobicContact CB-CG 4.19Å; P299-R301 PolarHBondContact O-N 3.43Å
302I91.1Very high91.8Very high21 Ų2150 Ų5011%0.10825%0.251CS..Hα-helixtrans-114.7-0.9179.566.2172.2000113.7V298 P299 L300 D304 R305 L306V298-I302 HydrophobicContact CG1-CD1 3.56Å; V298-I302 HydrophobicContact CG1-CG1 3.31Å; P299-I302 WeakPolarHBondContact O-CG1 3.25Å; P299-I302 PolarHBondContact O-N 3.4Å; L300-I302 PolarHBondContact O-N 2.93Å; I302-D304 PolarHBondContact O-N 3.23Å; I302-R305 WeakPolarHBondContact O-CA 3.34Å; I302-R305 WeakPolarHBondContact O-CB 3.33Å; I302-R305 PolarHBondContact O-N 2.9Å; I302-L306 PolarHBondContact O-N 2.89Å; I302-L306 VanDerWaalsContact O-N 3.14Å
303I90.9Very high89.9Confident14 Ų1454.3 Ų54.37%0.07228%0.278CS..Hα-helixtrans-57.9-49-178.9-67.1-67.5000111.3V298 L300 R305 L306 L350V298-I303 HydrophobicContact CB-CD1 3.82Å; V298-I303 HydrophobicContact CG1-CD1 3.82Å; L300-I303 HydrophobicContact CD1-CG1 4.48Å; L300-I303 PolarHBondContact O-N 2.95Å; L300-I303 VanDerWaalsContact O-N 3.15Å; I303-R305 PolarHBondContact O-N 3.18Å; I303-L306 HydrophobicContact CD1-CD1 4.13Å; I303-L306 VanDerWaalsContact O-CB 3.29Å; I303-L306 WeakPolarHBondContact O-CB 3.13Å; I303-L306 PolarHBondContact O-N 3.3Å; I303-L350 HydrophobicContact CG2-CB 4.4Å
304D89.5Confident88.3Confident132 Ų13254.3 Ų54.371%0.70628%0.28SS*.Hα-helixtrans-64-30.4178.2-63.9-33.6000112I302 L306 F307I302-D304 PolarHBondContact O-N 3.23Å; D304-L306 VanDerWaalsContact C-N 3.28Å; D304-L306 PolarHBondContact O-N 2.76Å; D304-F307 PolarHBondContact O-N 2.75Å
305R90.1Very high86.5Confident133 Ų13356.7 Ų56.750%0.50230%0.303SS..Hα-helixtrans-71.1-22177.2-58.7-175.870.4-1742.2112.5I302 I303 F307 S308 Y311I302-R305 WeakPolarHBondContact O-CA 3.34Å; I302-R305 WeakPolarHBondContact O-CB 3.33Å; I302-R305 PolarHBondContact O-N 2.9Å; I303-R305 PolarHBondContact O-N 3.18Å; R305-F307 PolarHBondContact O-N 3.28Å; R305-S308 VanDerWaalsContact O-CB 3.26Å; R305-S308 WeakPolarHBondContact O-CB 3.47Å; R305-S308 PolarHBondContact O-N 3.13Å; R305-Y311 HydrophobicContact CB-CD1 4.19Å; R305-Y311 HydrophobicContact CB-CD2 4.41Å; R305-Y311 HydrophobicContact CB-CE1 4.47Å; R305-Y311 HydrophobicContact CB-CG 4.16Å; R305-Y311 WeakPolarHBondContact O-CB 3.48Å; R305-Y311 VanDerWaalsContact O-CD1 3.23Å; R305-Y311 WeakPolarHBondContact O-CD1 3.46Å
306L92.1Very high84.9Confident36 Ų3660.7 Ų60.719%0.18833%0.326CS..Hα-helixtrans-62.6-26.9175.2-61.9176.4000112.3V298 I302 I303 D304 S308 Y311 L334 L350V298-L306 HydrophobicContact CG1-CD1 4.23Å; V298-L306 HydrophobicContact CG2-CD1 4.45Å; I302-L306 PolarHBondContact O-N 2.89Å; I302-L306 VanDerWaalsContact O-N 3.14Å; I303-L306 HydrophobicContact CD1-CD1 4.13Å; I303-L306 VanDerWaalsContact O-CB 3.29Å; I303-L306 WeakPolarHBondContact O-CB 3.13Å; I303-L306 PolarHBondContact O-N 3.3Å; D304-L306 VanDerWaalsContact C-N 3.28Å; D304-L306 PolarHBondContact O-N 2.76Å; L306-S308 VanDerWaalsContact C-N 3.32Å; L306-Y311 HydrophobicContact CD2-CE1 3.99Å; L306-L334 HydrophobicContact CB-CD2 3.64Å; L306-L350 HydrophobicContact CD1-CD1 3.69Å
307F93.5Very high83.2Confident19 Ų1961.5 Ų61.58%0.08333%0.329CS..THydrogen-bonded Turntrans-87.1-0.8174.3-65.6-76000113.2Q156 D304 R305 L334 P335 R338 L348 L350Q156-F307 PolarHBondContact NE2-O 3.32Å; D304-F307 PolarHBondContact O-N 2.75Å; R305-F307 PolarHBondContact O-N 3.28Å; F307-L334 HydrophobicContact CD1-CD2 3.98Å; F307-L334 HydrophobicContact CD1-CG 3.82Å; F307-L334 HydrophobicContact CE1-CD1 4.06Å; F307-L334 HydrophobicContact CE1-CD2 3.82Å; F307-L334 HydrophobicContact CE1-CG 3.55Å; F307-L334 HydrophobicContact CE2-CD2 4.46Å; F307-L334 HydrophobicContact CG-CD2 4.37Å; F307-L334 HydrophobicContact CZ-CD1 4.49Å; F307-L334 HydrophobicContact CZ-CD2 4.09Å; F307-L334 HydrophobicContact CZ-CG 4.21Å; F307-P335 WeakPolarHBondContact O-CB 3.35Å; F307-R338 HydrophobicContact CD1-CB 4.2Å; F307-R338 HydrophobicContact CE1-CB 3.96Å; F307-R338 HydrophobicContact CE1-CG 4.32Å; F307-L348 HydrophobicContact CE1-CD2 4.02Å; F307-L348 HydrophobicContact CZ-CD2 3.96Å; F307-L350 HydrophobicContact CE2-CD1 4.36Å; F307-L350 HydrophobicContact CE2-CG 4.3Å; F307-L350 HydrophobicContact CZ-CD1 4.27Å; F307-L350 HydrophobicContact CZ-CG 3.99Å
308S91.6Very high81.4Confident19 Ų1967 Ų6713%0.13336%0.358CS..  trans-80.6125.5178.5-176.60000111Q156 R305 L306 T310 Y311Q156-S308 VanDerWaalsContact OE1-CA 3.31Å; R305-S308 VanDerWaalsContact O-CB 3.26Å; R305-S308 WeakPolarHBondContact O-CB 3.47Å; R305-S308 PolarHBondContact O-N 3.13Å; L306-S308 VanDerWaalsContact C-N 3.32Å; S308-T310 PolarHBondContact O-N 3.41Å; S308-T310 VanDerWaalsContact O-N 3.07Å; S308-T310 PolarHBondContact OG-N 3.14Å; S308-T310 PolarHBondContact OG-OG1 2.96Å; S308-Y311 PolarHBondContact O-N 3.05Å
309Y89.6Confident79.4Confident7 Ų770.9 Ų70.93%0.02738%0.376CS..THydrogen-bonded Turntrans-62.5-17.3176.8-67.9-74.3000114.3Q156 L159 D160 Y163 Y332 P335 I336 L339Q156-Y309 VanDerWaalsContact NE2-CE2 3.3Å; Q156-Y309 VanDerWaalsContact OE1-CD2 3.31Å; Q156-Y309 VanDerWaalsContact OE1-N 3.12Å; L159-Y309 HydrophobicContact CB-CD2 3.39Å; L159-Y309 HydrophobicContact CB-CE2 3.38Å; L159-Y309 HydrophobicContact CB-CG 4.06Å; L159-Y309 VanDerWaalsContact CD1-CB 3.46Å; L159-Y309 HydrophobicContact CD1-CD1 4.4Å; L159-Y309 HydrophobicContact CD1-CD2 3.58Å; L159-Y309 HydrophobicContact CD1-CE2 4.41Å; L159-Y309 HydrophobicContact CD1-CG 3.57Å; L159-Y309 HydrophobicContact CG-CD2 4.14Å; L159-Y309 HydrophobicContact CG-CG 4.45Å; D160-Y309 VanDerWaalsContact OD1-CE2 3.32Å; D160-Y309 WeakPolarHBondContact OD1-CE2 3.38Å; D160-Y309 PolarHBondContact OD1-OH 2.9Å; Y163-Y309 AromaticContact CD2-CE1 3.86Å; Y163-Y309 HydrophobicContact CD2-CE1 3.86Å; Y163-Y309 AromaticContact CD2-CZ 3.79Å; Y163-Y309 HydrophobicContact CE2-CD1 4.36Å; Y163-Y309 AromaticContact CE2-CE1 3.85Å; Y163-Y309 HydrophobicContact CE2-CE1 3.85Å; Y309-Y332 AromaticContact CD1-CD1 3.42Å; Y309-Y332 HydrophobicContact CD1-CD1 3.42Å; Y309-Y332 VanDerWaalsContact CD1-CD1 3.42Å; Y309-Y332 HydrophobicContact CD1-CD2 4.14Å; Y309-Y332 AromaticContact CD1-CE1 3.41Å; Y309-Y332 HydrophobicContact CD1-CE1 3.41Å; Y309-Y332 VanDerWaalsContact CD1-CE1 3.41Å; Y309-Y332 HydrophobicContact CD1-CE2 4.15Å; Y309-Y332 AromaticContact CD1-CG 3.8Å; Y309-Y332 HydrophobicContact CD1-CG 3.8Å; Y309-Y332 AromaticContact CD1-CZ 3.79Å; Y309-Y332 AromaticContact CE1-CD1 3.7Å; Y309-Y332 HydrophobicContact CE1-CD1 3.7Å; Y309-Y332 AromaticContact CE1-CE1 3.98Å; Y309-Y332 HydrophobicContact CE1-CE1 3.98Å; Y309-Y332 HydrophobicContact CE1-CG 4.26Å; Y309-Y332 HydrophobicContact CG-CE1 4.18Å; Y309-Y332 WeakPolarHBondContact O-CE2 3.11Å; Y309-P335 HydrophobicContact CD1-CB 4.18Å; Y309-P335 HydrophobicContact CD1-CG 3.7Å; Y309-P335 HydrophobicContact CE1-CB 3.64Å; Y309-P335 HydrophobicContact CE1-CG 3.51Å; Y309-P335 HydrophobicContact CE2-CB 4.19Å; Y309-P335 HydrophobicContact CG-CG 4.4Å; Y309-I336 HydrophobicContact CE1-CG1 4.24Å; Y309-L339 VanDerWaalsContact OH-CD1 3.3Å; Y309-L339 WeakPolarHBondContact OH-CD1 3.34Å
310T83.6Confident77.1Confident25 Ų2574.3 Ų74.315%0.15339%0.391CS..THydrogen-bonded Turntrans-96.91.6179.867.20000113.2I138 K142 N152 L155 S308I138-T310 HydrophobicContact CG2-CG2 4.1Å; K142-T310 HydrophobicContact CD-CG2 4.09Å; K142-T310 PolarHBondContact NZ-O 3.26Å; N152-T310 PolarHBondContact ND2-OG1 3.3Å; N152-T310 PolarHBondContact OD1-OG1 3.34Å; L155-T310 HydrophobicContact CD2-CG2 3.8Å; S308-T310 PolarHBondContact O-N 3.41Å; S308-T310 VanDerWaalsContact O-N 3.07Å; S308-T310 PolarHBondContact OG-N 3.14Å; S308-T310 PolarHBondContact OG-OG1 2.96Å
311Y81.5Confident74.9Confident52 Ų5275.2 Ų75.220%0.20440%0.397CS..  trans-114.8126.6-179.7-175.4-99.3000110.6R305 L306 S308 T313R305-Y311 HydrophobicContact CB-CD1 4.19Å; R305-Y311 HydrophobicContact CB-CD2 4.41Å; R305-Y311 HydrophobicContact CB-CE1 4.47Å; R305-Y311 HydrophobicContact CB-CG 4.16Å; R305-Y311 WeakPolarHBondContact O-CB 3.48Å; R305-Y311 VanDerWaalsContact O-CD1 3.23Å; R305-Y311 WeakPolarHBondContact O-CD1 3.46Å; L306-Y311 HydrophobicContact CD2-CE1 3.99Å; S308-Y311 PolarHBondContact O-N 3.05Å; Y311-T313 HydrophobicContact CE1-CG2 4.1Å
312S74.3Confident72.5Confident50 Ų5069.4 Ų69.435%0.3539%0.387SS..  trans-145.4144.4172.9-177.40000108.9A314 G329S312-A314 PolarHBondContact OG-N 3.23Å; S312-A314 PolarHBondContact OG-O 3.49Å; S312-G329 PolarHBondContact OG-O 3.04Å
313T60.2Low70.3Confident97 Ų9780.2 Ų80.260%0.59543%0.426SS*.SBendtrans-96.4-6.5173.856.40000112.5Y311Y311-T313 HydrophobicContact CE1-CG2 4.1Å
314A63.5Low68.1Low13 Ų1385 Ų8511%0.10745%0.452CS..SBendtrans-95.3149.6175.600000110.6S312 A328S312-A314 PolarHBondContact OG-N 3.23Å; S312-A314 PolarHBondContact OG-O 3.49Å; A314-A328 HydrophobicContact CB-CB 3.69Å
315P61.2Low66.1Low111 Ų11182.4 Ų82.472%0.72145%0.449SS*.PPolyproline II helixtrans-58.1143.2168.625-32.4000110.4P317P315-P317 WeakPolarHBondContact O-CD 3.29Å
316T62.9Low64.4Low95 Ų9579.1 Ų79.158%0.58344%0.444SS*.PPolyproline II helixtrans-61.3120.9177.9-47.90000109.1I139I139-T316 HydrophobicContact CD1-CG2 3.88Å
317P60.8Low62.5Low25 Ų2578.2 Ų78.216%0.16244%0.44CS..PPolyproline II helixtrans-69.6138.6-178.828.2-33.2000109.6P315 M319 P326 G329 F330P315-P317 WeakPolarHBondContact O-CD 3.29Å; P317-M319 PolarHBondContact O-N 2.9Å; P317-P326 HydrophobicContact CB-CG 3.87Å; P317-P326 HydrophobicContact CG-CG 4.35Å; P317-G329 VanDerWaalsContact CD-C 3.45Å; P317-F330 HydrophobicContact CG-CD1 4.19Å; P317-F330 HydrophobicContact CG-CD2 3.78Å; P317-F330 HydrophobicContact CG-CE1 3.97Å; P317-F330 HydrophobicContact CG-CE2 3.53Å; P317-F330 HydrophobicContact CG-CG 4.11Å; P317-F330 HydrophobicContact CG-CZ 3.64Å
318V57.8Low60.8Low137 Ų13778.7 Ų78.783%0.8345%0.448SS*.PPolyproline II helixtrans-72.7125.6171.8-1740000107.6D320V318-D320 PolarHBondContact O-N 3.33Å
319M54Low59.3Low111 Ų11178.2 Ų78.255%0.54745%0.445SS..  trans-70.280.2171.3-73.9-175.464.200109.5Q136 P317 F330Q136-M319 HydrophobicContact CB-SD 4.35Å; Q136-M319 HydrophobicContact CG-SD 4.38Å; P317-M319 PolarHBondContact O-N 2.9Å; M319-F330 HydrophobicContact CG-CZ 4.14Å
320D46.7Very low58.1Low119 Ų11981 Ų8164%0.63646%0.457SS*.  trans-90.5153164.4-164.45.4000109.5V318 S322V318-D320 PolarHBondContact O-N 3.33Å; D320-S322 PolarHBondContact O-N 2.91Å
321N45.8Very low58Low167 Ų16780.8 Ų80.889%0.89346%0.46SS*.SBendtrans-65.312.6178.7-83.9-29.3000113.8
322S42.4Very low58.4Low74 Ų7479 Ų7952%0.51745%0.454SS..  trans-77129.4177.467.50000110.4D320 N324D320-S322 PolarHBondContact O-N 2.91Å; S322-N324 PolarHBondContact O-N 3.36Å
323R43.5Very low59.2Low248 Ų24877.4 Ų77.494%0.93644%0.444SS*.SBendtrans-69.56.5-176.6-71.5-179174.5179.8-1.9114.5
324N45.3Very low60.8Low115 Ų11573.5 Ų73.562%0.61542%0.42SS*.  trans-96.5104.6-173-65.9-2.6000109.1S322 P326S322-N324 PolarHBondContact O-N 3.36Å; N324-P326 WeakPolarHBondContact O-CD 3.5Å
325A48.8Very low62.4Low77 Ų7773 Ų7364%0.63642%0.416SS*.  trans-63.9121.7172.200000109.1
326P53.5Low64.1Low64 Ų6468.5 Ų68.542%0.41639%0.386SS..  trans-65.7151.1178.627.9-34.2000110.5P317 N324 A328P317-P326 HydrophobicContact CB-CG 3.87Å; P317-P326 HydrophobicContact CG-CG 4.35Å; N324-P326 WeakPolarHBondContact O-CD 3.5Å; P326-A328 WeakPolarHBondContact CB-O 3.46Å; P326-A328 PolarHBondContact O-N 3.33Å; P326-A328 VanDerWaalsContact O-N 3.16Å
327L52.9Low65.8Low17 Ų1764 Ų649%0.08936%0.358CS..SBendtrans-58.3-30.3-179.2-168.374.7000112.1L214 Y219 K257 R261L214-L327 HydrophobicContact CB-CD1 3.85Å; Y219-L327 HydrophobicContact CD2-CD2 4.21Å; Y219-L327 HydrophobicContact CE2-CD2 3.42Å; Y219-L327 VanDerWaalsContact CE2-CD2 3.42Å; K257-L327 HydrophobicContact CB-CD1 4.32Å; K257-L327 HydrophobicContact CD-CD1 4.49Å; K257-L327 WeakPolarHBondContact CE-O 3.5Å; K257-L327 HydrophobicContact CG-CD1 3.91Å; K257-L327 PolarHBondContact NZ-O 3.32Å; R261-L327 HydrophobicContact CB-CD2 4.27Å
328A56.6Low67.6Low30 Ų3065.4 Ų65.425%0.24836%0.36CS..SBendtrans-145.6167.2171.300000109.7R261 A314 P326R261-A328 VanDerWaalsContact NH1-CB 3.32Å; A314-A328 HydrophobicContact CB-CB 3.69Å; P326-A328 WeakPolarHBondContact CB-O 3.46Å; P326-A328 PolarHBondContact O-N 3.33Å; P326-A328 VanDerWaalsContact O-N 3.16Å
329G61.2Low69.5Low8 Ų859.2 Ų59.28%0.08232%0.322CS..  trans166.4-64169.600000115.6S312 P317 G331S312-G329 PolarHBondContact OG-O 3.04Å; P317-G329 VanDerWaalsContact CD-C 3.45Å; G329-G331 PolarHBondContact O-N 3.18Å
330F64.5Low71.7Confident65 Ų6555.3 Ų55.329%0.28530%0.301SS..SBendtrans-74.8-22.8-172.5-70.5-74.7000114.1A135 P317 M319 Y332A135-F330 HydrophobicContact CB-CD1 4.3Å; P317-F330 HydrophobicContact CG-CD1 4.19Å; P317-F330 HydrophobicContact CG-CD2 3.78Å; P317-F330 HydrophobicContact CG-CE1 3.97Å; P317-F330 HydrophobicContact CG-CE2 3.53Å; P317-F330 HydrophobicContact CG-CG 4.11Å; P317-F330 HydrophobicContact CG-CZ 3.64Å; M319-F330 HydrophobicContact CG-CZ 4.14Å; F330-Y332 VanDerWaalsContact C-N 3.34Å; F330-Y332 HydrophobicContact CB-CD2 4.05Å; F330-Y332 VanDerWaalsContact O-CD2 3.22Å; F330-Y332 WeakPolarHBondContact O-CD2 3.49Å
331G80.6Confident74.1Confident21 Ų2149.6 Ų49.622%0.21627%0.271CS..SBendtrans80.610.5-175.400000114.6G329G329-G331 PolarHBondContact O-N 3.18Å
332Y89.4Confident76.6Confident16 Ų1644 Ų446%0.06324%0.239CC..  trans-94.6-15.7-174.4-80.6-121.5000113.5V131 A135 Y163 Y309 F330 L334 P335 I336V131-Y332 HydrophobicContact CG1-CD1 4.34Å; A135-Y332 WeakPolarHBondContact CA-OH 3.29Å; A135-Y332 HydrophobicContact CB-CD1 4.47Å; A135-Y332 HydrophobicContact CB-CD2 4.25Å; A135-Y332 HydrophobicContact CB-CE1 3.94Å; A135-Y332 HydrophobicContact CB-CE2 3.71Å; Y163-Y332 AromaticContact CE2-CD1 3.8Å; Y163-Y332 HydrophobicContact CE2-CD1 3.8Å; Y163-Y332 AromaticContact CE2-CE1 3.56Å; Y163-Y332 HydrophobicContact CE2-CE1 3.56Å; Y163-Y332 AromaticContact CZ-CD1 3.95Å; Y163-Y332 AromaticContact CZ-CE1 3.71Å; Y163-Y332 WeakPolarHBondContact OH-CE1 3.18Å; Y309-Y332 AromaticContact CD1-CD1 3.42Å; Y309-Y332 HydrophobicContact CD1-CD1 3.42Å; Y309-Y332 VanDerWaalsContact CD1-CD1 3.42Å; Y309-Y332 HydrophobicContact CD1-CD2 4.14Å; Y309-Y332 AromaticContact CD1-CE1 3.41Å; Y309-Y332 HydrophobicContact CD1-CE1 3.41Å; Y309-Y332 VanDerWaalsContact CD1-CE1 3.41Å; Y309-Y332 HydrophobicContact CD1-CE2 4.15Å; Y309-Y332 AromaticContact CD1-CG 3.8Å; Y309-Y332 HydrophobicContact CD1-CG 3.8Å; Y309-Y332 AromaticContact CD1-CZ 3.79Å; Y309-Y332 AromaticContact CE1-CD1 3.7Å; Y309-Y332 HydrophobicContact CE1-CD1 3.7Å; Y309-Y332 AromaticContact CE1-CE1 3.98Å; Y309-Y332 HydrophobicContact CE1-CE1 3.98Å; Y309-Y332 HydrophobicContact CE1-CG 4.26Å; Y309-Y332 HydrophobicContact CG-CE1 4.18Å; Y309-Y332 WeakPolarHBondContact O-CE2 3.11Å; F330-Y332 VanDerWaalsContact C-N 3.34Å; F330-Y332 HydrophobicContact CB-CD2 4.05Å; F330-Y332 VanDerWaalsContact O-CD2 3.22Å; F330-Y332 WeakPolarHBondContact O-CD2 3.49Å; Y332-L334 PolarHBondContact O-N 3.24Å; Y332-P335 WeakPolarHBondContact O-CD 3.26Å; Y332-P335 WeakPolarHBondContact O-CG 3.33Å; Y332-I336 HydrophobicContact CD1-CD1 4.17Å; Y332-I336 VanDerWaalsContact O-CB 3.24Å; Y332-I336 WeakPolarHBondContact O-CB 3.46Å; Y332-I336 WeakPolarHBondContact O-CG1 3.45Å; Y332-I336 PolarHBondContact O-N 3.06Å
333G91.8Very high79.3Confident15 Ų1540.5 Ų40.516%0.15521%0.214CC..Hα-helixtrans-58.7-52-173.200000113.5E254 S337E254-G333 VanDerWaalsContact OE2-CA 3.26Å; E254-G333 WeakPolarHBondContact OE2-CA 3.23Å; G333-S337 VanDerWaalsContact O-CB 3.29Å; G333-S337 WeakPolarHBondContact O-CB 3.29Å; G333-S337 PolarHBondContact O-N 3.07Å; G333-S337 PolarHBondContact O-OG 2.95Å
334L94.4Very high81.9Confident16 Ų1628.8 Ų28.88%0.08417%0.17CC..Hα-helixtrans-66.3-50.6-178.7-171.370.3000113.6L255 L306 F307 Y332 I336 S337 R338 L348 L350L255-L334 HydrophobicContact CD2-CD1 3.7Å; L306-L334 HydrophobicContact CB-CD2 3.64Å; F307-L334 HydrophobicContact CD1-CD2 3.98Å; F307-L334 HydrophobicContact CD1-CG 3.82Å; F307-L334 HydrophobicContact CE1-CD1 4.06Å; F307-L334 HydrophobicContact CE1-CD2 3.82Å; F307-L334 HydrophobicContact CE1-CG 3.55Å; F307-L334 HydrophobicContact CE2-CD2 4.46Å; F307-L334 HydrophobicContact CG-CD2 4.37Å; F307-L334 HydrophobicContact CZ-CD1 4.49Å; F307-L334 HydrophobicContact CZ-CD2 4.09Å; F307-L334 HydrophobicContact CZ-CG 4.21Å; Y332-L334 PolarHBondContact O-N 3.24Å; L334-I336 PolarHBondContact O-N 3.41Å; L334-S337 PolarHBondContact O-N 2.9Å; L334-R338 PolarHBondContact O-N 3.01Å; L334-L348 HydrophobicContact CD1-CD2 4.07Å; L334-L350 HydrophobicContact CD1-CD1 4.16Å; L334-L350 HydrophobicContact CD1-CD2 4.49Å; L334-L350 HydrophobicContact CD1-CG 4.5Å; L334-L350 HydrophobicContact CD2-CD1 3.48Å; L334-L350 VanDerWaalsContact CD2-CD1 3.48Å; L334-L350 HydrophobicContact CD2-CG 4.46Å; L334-L350 HydrophobicContact CG-CD1 4.44Å
335P96.5Very high84.5Confident3 Ų327 Ų272%0.01916%0.158CC..Hα-helixtrans-63.2-39.617721.7-31.6000113F307 Y309 Y332 S337 R338 L339F307-P335 WeakPolarHBondContact O-CB 3.35Å; Y309-P335 HydrophobicContact CD1-CB 4.18Å; Y309-P335 HydrophobicContact CD1-CG 3.7Å; Y309-P335 HydrophobicContact CE1-CB 3.64Å; Y309-P335 HydrophobicContact CE1-CG 3.51Å; Y309-P335 HydrophobicContact CE2-CB 4.19Å; Y309-P335 HydrophobicContact CG-CG 4.4Å; Y332-P335 WeakPolarHBondContact O-CD 3.26Å; Y332-P335 WeakPolarHBondContact O-CG 3.33Å; P335-S337 PolarHBondContact O-N 3.39Å; P335-R338 WeakPolarHBondContact O-CB 3.12Å; P335-R338 PolarHBondContact O-N 3.42Å; P335-L339 WeakPolarHBondContact O-CG 3.29Å; P335-L339 PolarHBondContact O-N 3.41Å
336I96.8Very high86.8Confident16 Ų1624 Ų248%0.08213%0.134CC..Hα-helixtrans-64.7-40.9175.4-68.2178.1000111.3V131 Y309 Y332 L334 R338 L339 Y340V131-I336 HydrophobicContact CG1-CD1 3.72Å; Y309-I336 HydrophobicContact CE1-CG1 4.24Å; Y332-I336 HydrophobicContact CD1-CD1 4.17Å; Y332-I336 VanDerWaalsContact O-CB 3.24Å; Y332-I336 WeakPolarHBondContact O-CB 3.46Å; Y332-I336 WeakPolarHBondContact O-CG1 3.45Å; Y332-I336 PolarHBondContact O-N 3.06Å; L334-I336 PolarHBondContact O-N 3.41Å; I336-R338 VanDerWaalsContact C-N 3.26Å; I336-R338 PolarHBondContact O-N 3.21Å; I336-L339 WeakPolarHBondContact O-CB 3.38Å; I336-L339 PolarHBondContact O-N 3.43Å; I336-Y340 HydrophobicContact CG2-CD2 3.77Å; I336-Y340 HydrophobicContact CG2-CE2 3.53Å; I336-Y340 WeakPolarHBondContact O-CD2 3.29Å; I336-Y340 PolarHBondContact O-N 3.18Å
337S98.3Very high89Confident0 Ų022.8 Ų22.80%012%0.124CC..Hα-helixtrans-58.8-40.7175.1-63.50000111.5M251 G333 L334 P335 L339 Y340 A341M251-S337 WeakPolarHBondContact CG-O 3.29Å; M251-S337 VanDerWaalsContact SD-O 3.35Å; G333-S337 VanDerWaalsContact O-CB 3.29Å; G333-S337 WeakPolarHBondContact O-CB 3.29Å; G333-S337 PolarHBondContact O-N 3.07Å; G333-S337 PolarHBondContact O-OG 2.95Å; L334-S337 PolarHBondContact O-N 2.9Å; P335-S337 PolarHBondContact O-N 3.39Å; S337-L339 VanDerWaalsContact C-N 3.33Å; S337-L339 PolarHBondContact O-N 3.05Å; S337-Y340 PolarHBondContact O-N 3.08Å; S337-A341 PolarHBondContact O-N 3.45Å; S337-A341 VanDerWaalsContact O-N 3.12Å
338R98.5Very high91.1Very high54 Ų5422 Ų2220%0.20412%0.12CC..Hα-helixtrans-63.9-36.9174-171.2171.9-168-178.48.4112.6F307 L334 P335 I336 A341 K342 D347 L348 N349F307-R338 HydrophobicContact CD1-CB 4.2Å; F307-R338 HydrophobicContact CE1-CB 3.96Å; F307-R338 HydrophobicContact CE1-CG 4.32Å; L334-R338 PolarHBondContact O-N 3.01Å; P335-R338 WeakPolarHBondContact O-CB 3.12Å; P335-R338 PolarHBondContact O-N 3.42Å; I336-R338 VanDerWaalsContact C-N 3.26Å; I336-R338 PolarHBondContact O-N 3.21Å; R338-A341 PolarHBondContact O-N 3Å; R338-K342 HydrophobicContact CG-CD 4.24Å; R338-K342 HydrophobicContact CG-CG 4.48Å; R338-K342 WeakPolarHBondContact O-CB 3.27Å; R338-K342 WeakPolarHBondContact O-CG 3.09Å; R338-K342 PolarHBondContact O-N 3.02Å; R338-D347 IonicContact CZ-OD1 3.18Å; R338-D347 IonicContact NE-OD1 2.82Å; R338-D347 PolarHBondContact NE-OD1 3.35Å; R338-D347 IonicContact NH2-OD1 2.77Å; R338-D347 PolarHBondContact NH2-OD1 3.29Å; R338-D347 IonicContact NH2-OD2 2.82Å; R338-D347 PolarHBondContact NH2-OD2 3.44Å; R338-L348 HydrophobicContact CB-CB 4.06Å; R338-L348 WeakPolarHBondContact CD-O 3.42Å; R338-L348 HydrophobicContact CG-CB 4.05Å; R338-L348 PolarHBondContact NE-O 2.96Å; R338-N349 PolarHBondContact NH2-OD1 2.9Å
339L98.6Very high93.1Very high8 Ų822.2 Ų22.24%0.04212%0.117CC..Hα-helixtrans-65.3-40.5174.1-63.7179.4000112.2D160 Y163 M164 I167 Y309 P335 I336 S337 A341 K342 Y343D160-L339 HydrophobicContact CB-CD2 4.08Å; D160-L339 WeakPolarHBondContact O-CD1 3.4Å; Y163-L339 VanDerWaalsContact CB-CD1 3.44Å; M164-L339 HydrophobicContact CE-CB 4.13Å; M164-L339 HydrophobicContact CE-CD2 3.69Å; M164-L339 HydrophobicContact CE-CG 4.49Å; I167-L339 HydrophobicContact CD1-CB 3.9Å; Y309-L339 VanDerWaalsContact OH-CD1 3.3Å; Y309-L339 WeakPolarHBondContact OH-CD1 3.34Å; P335-L339 WeakPolarHBondContact O-CG 3.29Å; P335-L339 PolarHBondContact O-N 3.41Å; I336-L339 WeakPolarHBondContact O-CB 3.38Å; I336-L339 PolarHBondContact O-N 3.43Å; S337-L339 VanDerWaalsContact C-N 3.33Å; S337-L339 PolarHBondContact O-N 3.05Å; L339-A341 VanDerWaalsContact C-N 3.31Å; L339-A341 PolarHBondContact O-N 3.47Å; L339-K342 PolarHBondContact O-N 3.09Å; L339-Y343 WeakPolarHBondContact O-CB 3.35Å; L339-Y343 PolarHBondContact O-N 3.38Å
340Y98.6Very high94.9Very high28 Ų2823 Ų2311%0.1112%0.119CC..Hα-helixtrans-60.2-39.9174.2-82.8-70.8000112.4I167 H247 H250 I336 S337I167-Y340 HydrophobicContact CB-CE1 4.48Å; I167-Y340 HydrophobicContact CD1-CD1 3.97Å; I167-Y340 HydrophobicContact CD1-CD2 4.15Å; I167-Y340 HydrophobicContact CD1-CE1 4.02Å; I167-Y340 HydrophobicContact CD1-CE2 4.21Å; I167-Y340 HydrophobicContact CD1-CG 4.05Å; I167-Y340 HydrophobicContact CG1-CD1 4.25Å; I167-Y340 HydrophobicContact CG1-CE1 3.83Å; I167-Y340 HydrophobicContact CG1-CE2 4.46Å; I167-Y340 HydrophobicContact CG2-CD1 4.02Å; I167-Y340 HydrophobicContact CG2-CE1 3.88Å; H247-Y340 HydrophobicContact CB-CD1 3.88Å; H247-Y340 HydrophobicContact CB-CE1 4.41Å; H247-Y340 AromaticContact CD2-CD1 3.86Å; H247-Y340 AromaticContact CD2-CE1 3.56Å; H247-Y340 AromaticContact CG-CD1 3.58Å; H247-Y340 AromaticContact CG-CE1 3.81Å; H247-Y340 AromaticContact ND1-CD1 3.8Å; H247-Y340 AromaticContact NE2-CE1 3.78Å; H250-Y340 AromaticContact CD2-CD2 3.33Å; H250-Y340 WeakPolarHBondContact CD2-CD2 3.45Å; H250-Y340 AromaticContact CD2-CE2 3.23Å; H250-Y340 WeakPolarHBondContact CD2-CE2 3.41Å; H250-Y340 AromaticContact CG-CE2 3.87Å; H250-Y340 AromaticContact NE2-CD2 3.94Å; H250-Y340 AromaticContact NE2-CE2 3.58Å; I336-Y340 HydrophobicContact CG2-CD2 3.77Å; I336-Y340 HydrophobicContact CG2-CE2 3.53Å; I336-Y340 WeakPolarHBondContact O-CD2 3.29Å; I336-Y340 PolarHBondContact O-N 3.18Å; S337-Y340 PolarHBondContact O-N 3.08Å
341A98.6Very high96.4Very high0 Ų025.8 Ų25.80%013%0.129CC..Hα-helixtrans-64.8-48.9173.900000111.2M251 S337 R338 L339 Y343 G346 L348 I362M251-A341 HydrophobicContact SD-CB 3.65Å; M251-A341 PolarHBondContact SD-N 3.39Å; S337-A341 PolarHBondContact O-N 3.45Å; S337-A341 VanDerWaalsContact O-N 3.12Å; R338-A341 PolarHBondContact O-N 3Å; L339-A341 VanDerWaalsContact C-N 3.31Å; L339-A341 PolarHBondContact O-N 3.47Å; A341-Y343 VanDerWaalsContact C-N 3.27Å; A341-Y343 PolarHBondContact O-N 3.36Å; A341-G346 CarbonylContact O-C 3.54Å; A341-G346 WeakPolarHBondContact O-CA 3.44Å; A341-G346 PolarHBondContact O-N 3.26Å; A341-L348 HydrophobicContact CB-CB 4.2Å; A341-I362 HydrophobicContact CB-CG2 4.49Å
342K98.7Very high97.2Very high50 Ų5025.8 Ų25.822%0.21713%0.126CC..Hα-helixtrans-66.8-24.6-178.8-75-176.6178.3-179.20114.2M164 R338 L339 F344 Q345 G346 D347 K374M164-K342 HydrophobicContact CE-CB 3.87Å; R338-K342 HydrophobicContact CG-CD 4.24Å; R338-K342 HydrophobicContact CG-CG 4.48Å; R338-K342 WeakPolarHBondContact O-CB 3.27Å; R338-K342 WeakPolarHBondContact O-CG 3.09Å; R338-K342 PolarHBondContact O-N 3.02Å; L339-K342 PolarHBondContact O-N 3.09Å; K342-F344 PolarHBondContact O-N 3.28Å; K342-Q345 PolarHBondContact O-N 2.72Å; K342-Q345 VanDerWaalsContact O-N 3.16Å; K342-G346 WeakPolarHBondContact CA-O 3.26Å; K342-D347 WeakPolarHBondContact CE-OD1 3.4Å; K342-D347 IonicContact NZ-OD1 3.9Å; K342-K374 HydrophobicContact CB-CD 4.5Å; K342-K374 WeakPolarHBondContact O-CB 3.29Å
343Y98.8Very high97.6Very high0 Ų030.5 Ų30.50%015%0.151CC..Hα-helixtrans-58.6-35.6-175.7175.1-124.5000112.3M164 I167 S168 M171 L339 A341 E373 K374 L375M164-Y343 HydrophobicContact SD-CD2 3.85Å; M164-Y343 HydrophobicContact SD-CG 4.25Å; I167-Y343 HydrophobicContact CG2-CD1 3.66Å; I167-Y343 HydrophobicContact CG2-CD2 4.22Å; I167-Y343 HydrophobicContact CG2-CE1 3.9Å; I167-Y343 HydrophobicContact CG2-CE2 4.48Å; I167-Y343 HydrophobicContact CG2-CG 3.81Å; S168-Y343 WeakPolarHBondContact CA-OH 3.47Å; M171-Y343 HydrophobicContact CB-CE1 4.23Å; M171-Y343 VanDerWaalsContact CB-OH 3.26Å; M171-Y343 WeakPolarHBondContact CB-OH 3.4Å; M171-Y343 HydrophobicContact CG-CE1 4.22Å; M171-Y343 WeakPolarHBondContact CG-OH 3.33Å; L339-Y343 WeakPolarHBondContact O-CB 3.35Å; L339-Y343 PolarHBondContact O-N 3.38Å; A341-Y343 VanDerWaalsContact C-N 3.27Å; A341-Y343 PolarHBondContact O-N 3.36Å; Y343-E373 HydrophobicContact CE2-CB 4.04Å; Y343-E373 HydrophobicContact CE2-CG 3.66Å; Y343-E373 WeakPolarHBondContact CE2-OE1 3.42Å; Y343-E373 CarbonylContact O-C 3.4Å; Y343-E373 VanDerWaalsContact O-CA 3.28Å; Y343-E373 WeakPolarHBondContact O-CA 3.22Å; Y343-E373 VanDerWaalsContact OH-CD 3.27Å; Y343-E373 WeakPolarHBondContact OH-CG 3.26Å; Y343-E373 PolarHBondContact OH-OE1 3.49Å; Y343-K374 PolarHBondContact O-N 3.43Å; Y343-L375 HydrophobicContact CE2-CD2 4.22Å
344F98.6Very high97.8Very high1 Ų133.7 Ų33.70%0.00417%0.171CC..THydrogen-bonded Turntrans-114.145.9174.4-70.8-61.5000112.7M37 M171 V244 K342 G346 S371 E373M37-F344 HydrophobicContact CE-CB 3.55Å; M37-F344 HydrophobicContact CE-CD1 3.98Å; M37-F344 HydrophobicContact CE-CD2 3.21Å; M37-F344 HydrophobicContact CE-CE1 4.46Å; M37-F344 HydrophobicContact CE-CE2 3.76Å; M37-F344 HydrophobicContact CE-CG 3.34Å; M37-F344 HydrophobicContact CE-CZ 4.36Å; M37-F344 HydrophobicContact CG-CD1 4.02Å; M37-F344 HydrophobicContact CG-CD2 4.45Å; M37-F344 HydrophobicContact CG-CE1 3.85Å; M37-F344 HydrophobicContact CG-CE2 4.26Å; M37-F344 HydrophobicContact CG-CG 4.33Å; M37-F344 HydrophobicContact CG-CZ 3.97Å; M171-F344 HydrophobicContact CE-CZ 4.24Å; V244-F344 HydrophobicContact CG2-CE2 4.37Å; K342-F344 PolarHBondContact O-N 3.28Å; F344-G346 PolarHBondContact O-N 2.73Å; F344-S371 WeakPolarHBondContact CD1-O 3.42Å; F344-E373 HydrophobicContact CE1-CG 3.88Å
345Q98.1Very high97.8Very high78 Ų7835.8 Ų35.836%0.36420%0.197SC..THydrogen-bonded Turntrans6318.5175.1-47.9-55.8-37.200115.9K342 K365 I372K342-Q345 PolarHBondContact O-N 2.72Å; K342-Q345 VanDerWaalsContact O-N 3.16Å; Q345-K365 HydrophobicContact CB-CG 4.18Å; Q345-I372 HydrophobicContact CG-CB 4.39Å; Q345-I372 WeakPolarHBondContact CG-O 3.49Å; Q345-I372 PolarHBondContact NE2-O 3.11Å
346G98.4Very high97.8Very high13 Ų1341.3 Ų41.313%0.13422%0.218CC..  trans-85.7-167.4168.200000113.3A341 K342 F344 Y363A341-G346 CarbonylContact O-C 3.54Å; A341-G346 WeakPolarHBondContact O-CA 3.44Å; A341-G346 PolarHBondContact O-N 3.26Å; K342-G346 WeakPolarHBondContact CA-O 3.26Å; F344-G346 PolarHBondContact O-N 2.73Å; G346-Y363 CarbonylContact C-O 3.57Å; G346-Y363 WeakPolarHBondContact CA-O 3.12Å
347D98.4Very high97.9Very high39 Ų3940.7 Ų40.721%0.20922%0.216CC..EExtended strand (participates in β ladder)trans-156165.6167.3-155.6-1.6000111.1R338 K342 Y363R338-D347 IonicContact CZ-OD1 3.18Å; R338-D347 IonicContact NE-OD1 2.82Å; R338-D347 PolarHBondContact NE-OD1 3.35Å; R338-D347 IonicContact NH2-OD1 2.77Å; R338-D347 PolarHBondContact NH2-OD1 3.29Å; R338-D347 IonicContact NH2-OD2 2.82Å; R338-D347 PolarHBondContact NH2-OD2 3.44Å; K342-D347 WeakPolarHBondContact CE-OD1 3.4Å; K342-D347 IonicContact NZ-OD1 3.9Å; D347-Y363 PolarHBondContact N-O 3.08Å; D347-Y363 PolarHBondContact O-N 3.34Å
348L98.6Very high97.9Very high0 Ų041.5 Ų41.50%022%0.221CC..EExtended strand (participates in β ladder)trans-128.8120.8171.6-171.7170.4000108.6L255 F307 L334 R338 A341 L350 V361 I362L255-L348 HydrophobicContact CD1-CD1 4.13Å; L255-L348 HydrophobicContact CD2-CD1 4.29Å; L255-L348 HydrophobicContact CD2-CD2 4.48Å; L255-L348 HydrophobicContact CG-CD1 4.43Å; F307-L348 HydrophobicContact CE1-CD2 4.02Å; F307-L348 HydrophobicContact CZ-CD2 3.96Å; L334-L348 HydrophobicContact CD1-CD2 4.07Å; R338-L348 HydrophobicContact CB-CB 4.06Å; R338-L348 WeakPolarHBondContact CD-O 3.42Å; R338-L348 HydrophobicContact CG-CB 4.05Å; R338-L348 PolarHBondContact NE-O 2.96Å; A341-L348 HydrophobicContact CB-CB 4.2Å; L348-L350 HydrophobicContact CD2-CD2 4.41Å; L348-V361 VanDerWaalsContact CA-O 3.32Å; L348-V361 WeakPolarHBondContact CA-O 3.44Å; L348-I362 HydrophobicContact CD1-CG1 4.34Å; L348-I362 HydrophobicContact CG-CG1 4.23Å
349N98Very high97.9Very high36 Ų3640.9 Ų40.919%0.19322%0.221CC..EExtended strand (participates in β ladder)trans-121.6149.6179.8-66.5-39.6000111.6R338 Y351 A360 V361R338-N349 PolarHBondContact NH2-OD1 2.9Å; N349-Y351 HydrophobicContact CB-CE2 3.74Å; N349-A360 WeakPolarHBondContact O-CA 3.31Å; N349-V361 PolarHBondContact N-O 3.16Å; N349-V361 PolarHBondContact O-N 3.04Å
350L97.9Very high97.9Very high23 Ų2340.9 Ų40.912%0.1222%0.223CC..EExtended strand (participates in β ladder)trans-116.5134.9174.8-68.6-174.9000110.2I303 L306 F307 L334 L348 T358 D359 A360I303-L350 HydrophobicContact CG2-CB 4.4Å; L306-L350 HydrophobicContact CD1-CD1 3.69Å; F307-L350 HydrophobicContact CE2-CD1 4.36Å; F307-L350 HydrophobicContact CE2-CG 4.3Å; F307-L350 HydrophobicContact CZ-CD1 4.27Å; F307-L350 HydrophobicContact CZ-CG 3.99Å; L334-L350 HydrophobicContact CD1-CD1 4.16Å; L334-L350 HydrophobicContact CD1-CD2 4.49Å; L334-L350 HydrophobicContact CD1-CG 4.5Å; L334-L350 HydrophobicContact CD2-CD1 3.48Å; L334-L350 VanDerWaalsContact CD2-CD1 3.48Å; L334-L350 HydrophobicContact CD2-CG 4.46Å; L334-L350 HydrophobicContact CG-CD1 4.44Å; L348-L350 HydrophobicContact CD2-CD2 4.41Å; L350-T358 HydrophobicContact CD2-CG2 4.29Å; L350-D359 CarbonylContact C-O 3.56Å; L350-D359 WeakPolarHBondContact CA-O 3.48Å; L350-A360 HydrophobicContact CD2-CB 3.38Å
351Y97.6Very high97.9Very high124 Ų12439.9 Ų39.949%0.48622%0.22SC..EExtended strand (participates in β ladder)trans-128.9110.9174.3-53.8-83.7000108N349 D359 V361N349-Y351 HydrophobicContact CB-CE2 3.74Å; Y351-D359 PolarHBondContact N-O 3.1Å; Y351-D359 PolarHBondContact O-N 3.36Å; Y351-V361 HydrophobicContact CD2-CG2 3.98Å; Y351-V361 HydrophobicContact CE2-CB 4.42Å; Y351-V361 HydrophobicContact CE2-CG2 3.88Å
352S96.9Very high97.9Very high22 Ų2240 Ų4015%0.15422%0.22CC..EExtended strand (participates in β ladder)trans-118.2142.2-175-1580000112.2G297 V298 G357 T358G297-S352 WeakPolarHBondContact CA-OG 3.35Å; V298-S352 PolarHBondContact N-OG 2.96Å; S352-G357 PolarHBondContact OG-O 3Å; S352-T358 PolarHBondContact OG-OG1 3.13Å
353L97Very high97.9Very high114 Ų11441.2 Ų41.260%0.59722%0.224SC*.EExtended strand (participates in β ladder)trans-112.3100.3174.4-61.4178.6000107.4G355 Y356 G357L353-G355 PolarHBondContact O-N 2.8Å; L353-Y356 HydrophobicContact CB-CD1 4.28Å; L353-Y356 HydrophobicContact CD1-CD1 3.99Å; L353-Y356 WeakPolarHBondContact O-CA 3.41Å; L353-Y356 WeakPolarHBondContact O-CB 3.41Å; L353-Y356 PolarHBondContact O-N 2.82Å; L353-G357 PolarHBondContact N-O 3.11Å; L353-G357 PolarHBondContact O-N 3.3Å; L353-G357 VanDerWaalsContact O-N 3.13Å
354S96.5Very high97.9Very high82 Ų8241.3 Ų41.357%0.57322%0.224SC*.THydrogen-bonded Turntrans-56.8126.5-179.7-171.70000110.9
355G95.1Very high97.9Very high61 Ų6143.5 Ų43.563%0.62923%0.234SC*.THydrogen-bonded Turntrans90.7-1.6-172.100000115G296 L353G296-G355 CarbonylContact O-C 3.53Å; G296-G355 VanDerWaalsContact O-CA 3.29Å; G296-G355 WeakPolarHBondContact O-CA 3.32Å; G296-G355 PolarHBondContact O-N 3.16Å; L353-G355 PolarHBondContact O-N 2.8Å
356Y96.6Very high97.8Very high119 Ų11940.8 Ų40.847%0.46723%0.225SC..THydrogen-bonded Turntrans-130.5-63.7-175.7-175.9-112.9000113.4R294 G296 L353R294-Y356 CarbonylContact C-O 3.6Å; R294-Y356 VanDerWaalsContact CA-O 3.29Å; R294-Y356 WeakPolarHBondContact CA-O 3.34Å; R294-Y356 VanDerWaalsContact CZ-CE1 3.46Å; R294-Y356 PolarHBondContact NE-OH 3.24Å; R294-Y356 PolarHBondContact NH1-OH 2.58Å; R294-Y356 PolarHBondContact NH2-OH 3.49Å; R294-Y356 VanDerWaalsContact NH2-OH 3.15Å; G296-Y356 PolarHBondContact N-O 3.03Å; G296-Y356 PolarHBondContact O-N 2.93Å; L353-Y356 HydrophobicContact CB-CD1 4.28Å; L353-Y356 HydrophobicContact CD1-CD1 3.99Å; L353-Y356 WeakPolarHBondContact O-CA 3.41Å; L353-Y356 WeakPolarHBondContact O-CB 3.41Å; L353-Y356 PolarHBondContact O-N 2.82Å
357G97.7Very high97.6Very high3 Ų343 Ų433%0.03123%0.233CC..EExtended strand (participates in β ladder)trans171.1-178.5-174.200000113.4D293 S352 L353D293-G357 WeakPolarHBondContact O-CA 3.35Å; S352-G357 PolarHBondContact OG-O 3Å; L353-G357 PolarHBondContact N-O 3.11Å; L353-G357 PolarHBondContact O-N 3.3Å; L353-G357 VanDerWaalsContact O-N 3.13Å
358T98.6Very high97.5Very high16 Ų1642.5 Ų42.510%0.09823%0.233CC..EExtended strand (participates in β ladder)trans-127.9139.1-178.7-50.20000111.9S292 D293 L350 S352S292-T358 WeakPolarHBondContact CA-O 3.37Å; D293-T358 PolarHBondContact N-O 2.82Å; D293-T358 PolarHBondContact OD1-N 2.85Å; L350-T358 HydrophobicContact CD2-CG2 4.29Å; S352-T358 PolarHBondContact OG-OG1 3.13Å
359D98.7Very high97.4Very high41 Ų4145.4 Ų45.422%0.21925%0.253CS..EExtended strand (participates in β ladder)trans-103.5121.3167.2-789.1000108.8K290 I291 S292 L350 Y351K290-D359 HydrophobicContact CD-CB 4.43Å; K290-D359 WeakPolarHBondContact CD-OD2 3.29Å; K290-D359 IonicContact NZ-OD2 2.61Å; K290-D359 PolarHBondContact NZ-OD2 3.02Å; I291-D359 CarbonylContact O-C 3.34Å; I291-D359 WeakPolarHBondContact O-CA 3.37Å; S292-D359 WeakPolarHBondContact CB-OD1 3.47Å; S292-D359 PolarHBondContact OG-OD1 3.24Å; S292-D359 PolarHBondContact OG-OD2 3.01Å; L350-D359 CarbonylContact C-O 3.56Å; L350-D359 WeakPolarHBondContact CA-O 3.48Å; Y351-D359 PolarHBondContact N-O 3.1Å; Y351-D359 PolarHBondContact O-N 3.36Å
360A98.8Very high97.3Very high9 Ų947.2 Ų47.27%0.07426%0.26CS..EExtended strand (participates in β ladder)trans-105.1126.8168.900000109.7L255 K290 I291 N349 L350L255-A360 HydrophobicContact CD1-CB 3.93Å; L255-A360 HydrophobicContact CD2-CB 3.87Å; L255-A360 HydrophobicContact CG-CB 4.43Å; K290-A360 CarbonylContact C-O 3.59Å; K290-A360 WeakPolarHBondContact CA-O 3.43Å; I291-A360 PolarHBondContact N-O 3.15Å; I291-A360 PolarHBondContact O-N 3.05Å; N349-A360 WeakPolarHBondContact O-CA 3.31Å; L350-A360 HydrophobicContact CD2-CB 3.38Å
361V98.8Very high97.2Very high7 Ų746.2 Ų46.24%0.04226%0.255CS..EExtended strand (participates in β ladder)trans-121.4118.4-175.5-167.90000110T288 I289 K290 L348 N349 Y351 Y363T288-V361 HydrophobicContact CG2-CG1 3.5Å; I289-V361 CarbonylContact O-C 3.52Å; I289-V361 WeakPolarHBondContact O-CA 3.45Å; K290-V361 HydrophobicContact CB-CG2 4.45Å; K290-V361 HydrophobicContact CD-CG2 4.31Å; K290-V361 HydrophobicContact CG-CG2 4.03Å; L348-V361 VanDerWaalsContact CA-O 3.32Å; L348-V361 WeakPolarHBondContact CA-O 3.44Å; N349-V361 PolarHBondContact N-O 3.16Å; N349-V361 PolarHBondContact O-N 3.04Å; Y351-V361 HydrophobicContact CD2-CG2 3.98Å; Y351-V361 HydrophobicContact CE2-CB 4.42Å; Y351-V361 HydrophobicContact CE2-CG2 3.88Å; V361-Y363 HydrophobicContact CB-CE2 3.97Å; V361-Y363 HydrophobicContact CG1-CD2 4.1Å; V361-Y363 HydrophobicContact CG1-CE1 4.05Å; V361-Y363 HydrophobicContact CG1-CE2 3.47Å; V361-Y363 VanDerWaalsContact CG1-CE2 3.47Å; V361-Y363 VanDerWaalsContact CG1-CZ 3.45Å
362I98.9Very high97.3Very high1 Ų143.7 Ų43.71%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-96128.7169.7-58.2171.8000108.1M251 L252 L255 T288 I289 A341 L348 L364M251-I362 HydrophobicContact CB-CD1 3.8Å; M251-I362 HydrophobicContact CE-CD1 4.49Å; M251-I362 HydrophobicContact CE-CG2 4.11Å; M251-I362 HydrophobicContact SD-CD1 4.46Å; M251-I362 HydrophobicContact SD-CG2 4.27Å; L252-I362 HydrophobicContact CD2-CD1 3.99Å; L252-I362 HydrophobicContact CG-CD1 4.45Å; L255-I362 HydrophobicContact CD1-CD1 3.8Å; L255-I362 HydrophobicContact CD1-CG1 3.94Å; T288-I362 CarbonylContact C-O 3.6Å; T288-I362 WeakPolarHBondContact CA-O 3.16Å; I289-I362 HydrophobicContact CB-CB 4.37Å; I289-I362 PolarHBondContact N-O 3.02Å; I289-I362 PolarHBondContact O-N 3.36Å; A341-I362 HydrophobicContact CB-CG2 4.49Å; L348-I362 HydrophobicContact CD1-CG1 4.34Å; L348-I362 HydrophobicContact CG-CG1 4.23Å; I362-L364 HydrophobicContact CG2-CD1 4.49Å; I362-L364 HydrophobicContact CG2-CD2 4.11Å; I362-L364 HydrophobicContact CG2-CG 3.96Å
363Y98.7Very high97.3Very high77 Ų7742.9 Ų42.930%0.30224%0.243SC..EExtended strand (participates in β ladder)trans-109.8129.9169.6-62.6-84.8000109.1T288 G346 D347 V361T288-Y363 HydrophobicContact CG2-CD1 4.07Å; T288-Y363 HydrophobicContact CG2-CE1 3.82Å; G346-Y363 CarbonylContact C-O 3.57Å; G346-Y363 WeakPolarHBondContact CA-O 3.12Å; D347-Y363 PolarHBondContact N-O 3.08Å; D347-Y363 PolarHBondContact O-N 3.34Å; V361-Y363 HydrophobicContact CB-CE2 3.97Å; V361-Y363 HydrophobicContact CG1-CD2 4.1Å; V361-Y363 HydrophobicContact CG1-CE1 4.05Å; V361-Y363 HydrophobicContact CG1-CE2 3.47Å; V361-Y363 VanDerWaalsContact CG1-CE2 3.47Å; V361-Y363 VanDerWaalsContact CG1-CZ 3.45Å
364L98.6Very high97.4Very high2 Ų242.3 Ų42.31%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-129151.8173.8-61.3180000109.5I241 Y243 L248 M251 D286 L287 I362I241-L364 HydrophobicContact CD1-CD1 4.34Å; Y243-L364 HydrophobicContact CD1-CD1 4.37Å; Y243-L364 HydrophobicContact CD2-CD1 4.28Å; Y243-L364 HydrophobicContact CE1-CD1 3.97Å; Y243-L364 HydrophobicContact CE2-CD1 3.86Å; Y243-L364 HydrophobicContact CE2-CD2 3.88Å; Y243-L364 HydrophobicContact CE2-CG 4.3Å; Y243-L364 WeakPolarHBondContact OH-CD2 3.23Å; L248-L364 HydrophobicContact CD1-CD1 4.16Å; M251-L364 HydrophobicContact CE-CD2 4.29Å; D286-L364 CarbonylContact C-O 3.47Å; D286-L364 WeakPolarHBondContact CA-O 3.27Å; L287-L364 HydrophobicContact CB-CB 4.29Å; L287-L364 HydrophobicContact CD2-CB 4.49Å; L287-L364 HydrophobicContact CD2-CD1 4.15Å; L287-L364 PolarHBondContact N-O 3.18Å; L287-L364 PolarHBondContact O-N 2.97Å; I362-L364 HydrophobicContact CG2-CD1 4.49Å; I362-L364 HydrophobicContact CG2-CD2 4.11Å; I362-L364 HydrophobicContact CG2-CG 3.96Å
365K97.9Very high97.5Very high46 Ų4639.9 Ų39.920%0.222%0.216CC..EExtended strand (participates in β ladder)trans-70.6130.5172-65.9-60179.7-173.40110.8D286 Q345 L367 E370D286-K365 IonicContact OD1-NZ 3.68Å; D286-K365 PolarHBondContact OD1-NZ 3.32Å; Q345-K365 HydrophobicContact CB-CG 4.18Å; K365-L367 VanDerWaalsContact C-N 3.31Å; K365-E370 HydrophobicContact CB-CB 4.41Å; K365-E370 HydrophobicContact CD-CB 4.35Å; K365-E370 HydrophobicContact CG-CB 4.27Å
366A95.5Very high97.6Very high21 Ų2137.3 Ų37.317%0.17419%0.188CC..SBendtrans-74-25.5176.100000112.2L282 E285L282-A366 HydrophobicContact CD1-CB 3.84Å; E285-A366 WeakPolarHBondContact O-CB 3.36Å; E285-A366 PolarHBondContact O-N 3.32Å
367L95.6Very high97.6Very high61 Ų6133.6 Ų33.632%0.31918%0.178SC..SBendtrans-105.4123-178.1-58178.8000111K365 S369 E370 S371K365-L367 VanDerWaalsContact C-N 3.31Å; L367-S369 PolarHBondContact O-N 2.94Å; L367-S369 VanDerWaalsContact O-N 3.15Å; L367-E370 HydrophobicContact CB-CG 4.31Å; L367-E370 PolarHBondContact O-N 3.28Å; L367-S371 PolarHBondContact O-N 3.31Å; L367-S371 PolarHBondContact O-OG 2.71Å
368S95.3Very high97.5Very high27 Ų2734.9 Ų34.919%0.18918%0.183CC..THydrogen-bonded Turntrans-62.6-21.8179.959.70000114.3K38 E370K38-S368 PolarHBondContact N-O 3.26Å; S368-E370 VanDerWaalsContact C-N 3.32Å
369S96.1Very high97.2Very high62 Ų6237.6 Ų37.643%0.43420%0.197SC..THydrogen-bonded Turntrans-70.5-26.4174.150.80000113.2L367L367-S369 PolarHBondContact O-N 2.94Å; L367-S369 VanDerWaalsContact O-N 3.15Å
370E95.9Very high96.9Very high74 Ų7441.5 Ų41.535%0.34622%0.215SC..THydrogen-bonded Turntrans-95.6-15.9178.7-62.2-178.5-175.300112.1K365 L367 S368 I372K365-E370 HydrophobicContact CB-CB 4.41Å; K365-E370 HydrophobicContact CD-CB 4.35Å; K365-E370 HydrophobicContact CG-CB 4.27Å; L367-E370 HydrophobicContact CB-CG 4.31Å; L367-E370 PolarHBondContact O-N 3.28Å; S368-E370 VanDerWaalsContact C-N 3.32Å; E370-I372 PolarHBondContact O-N 2.99Å
371S97.2Very high96.6Very high1 Ų144.9 Ų44.91%0.00724%0.239CC..  trans-73.372.4173.7-54.10000111.7S36 M37 F344 L367S36-S371 CarbonylContact C-O 3.57Å; S36-S371 VanDerWaalsContact CA-O 3.28Å; S36-S371 WeakPolarHBondContact CA-O 3.19Å; M37-S371 PolarHBondContact N-O 3.44Å; F344-S371 WeakPolarHBondContact CD1-O 3.42Å; L367-S371 PolarHBondContact O-N 3.31Å; L367-S371 PolarHBondContact O-OG 2.71Å
372I98.2Very high96.3Very high72 Ų7244.7 Ų44.737%0.36924%0.237SC..BIsolated β-bridgetrans-95.2139.6-179.3-58167.7000110.7P34 Q345 E370 K374P34-I372 HydrophobicContact CB-CG2 4.01Å; Q345-I372 HydrophobicContact CG-CB 4.39Å; Q345-I372 WeakPolarHBondContact CG-O 3.49Å; Q345-I372 PolarHBondContact NE2-O 3.11Å; E370-I372 PolarHBondContact O-N 2.99Å; I372-K374 PolarHBondContact O-N 2.92Å
373E98.5Very high95.9Very high5 Ų547.5 Ų47.52%0.02325%0.25CC..  trans-54.5131.4173.8-74.7-174.4105.600112.6P34 L35 R64 Y343 F344 L375P34-E373 HydrophobicContact CB-CB 3.97Å; P34-E373 WeakPolarHBondContact CB-O 3.3Å; L35-E373 PolarHBondContact N-OE2 2.9Å; L35-E373 VanDerWaalsContact O-CG 3.31Å; L35-E373 WeakPolarHBondContact O-CG 3.5Å; L35-E373 PolarHBondContact O-N 3.06Å; R64-E373 IonicContact CZ-OE1 3.44Å; R64-E373 IonicContact CZ-OE2 3.95Å; R64-E373 IonicContact NH1-OE1 2.87Å; R64-E373 PolarHBondContact NH1-OE1 2.88Å; R64-E373 IonicContact NH1-OE2 3.58Å; R64-E373 IonicContact NH2-OE1 2.73Å; R64-E373 PolarHBondContact NH2-OE1 3.37Å; R64-E373 IonicContact NH2-OE2 2.91Å; R64-E373 PolarHBondContact NH2-OE2 3.14Å; Y343-E373 HydrophobicContact CE2-CB 4.04Å; Y343-E373 HydrophobicContact CE2-CG 3.66Å; Y343-E373 WeakPolarHBondContact CE2-OE1 3.42Å; Y343-E373 CarbonylContact O-C 3.4Å; Y343-E373 VanDerWaalsContact O-CA 3.28Å; Y343-E373 WeakPolarHBondContact O-CA 3.22Å; Y343-E373 VanDerWaalsContact OH-CD 3.27Å; Y343-E373 WeakPolarHBondContact OH-CG 3.26Å; Y343-E373 PolarHBondContact OH-OE1 3.49Å; F344-E373 HydrophobicContact CE1-CG 3.88Å; E373-L375 HydrophobicContact CB-CD1 4.41Å; E373-L375 HydrophobicContact CB-CD2 4.02Å; E373-L375 HydrophobicContact CB-CG 4.02Å
374K97.9Very high95.5Very high101 Ų10150.3 Ų50.344%0.43926%0.264SS..  trans-97.1107.6168.4-172171.2-176.2166.30109.6M164 K342 Y343 I372M164-K374 WeakPolarHBondContact CG-O 3.38Å; K342-K374 HydrophobicContact CB-CD 4.5Å; K342-K374 WeakPolarHBondContact O-CB 3.29Å; Y343-K374 PolarHBondContact O-N 3.43Å; I372-K374 PolarHBondContact O-N 2.92Å
375L98.1Very high95.1Very high31 Ų3153.8 Ų53.816%0.16228%0.279CS..  trans-113.3142.2-172.8-56.8178.9000112.4P32 P34 Y343 E373P32-L375 HydrophobicContact CB-CB 4.24Å; P32-L375 HydrophobicContact CB-CD1 3.67Å; P34-L375 HydrophobicContact CB-CD1 4.07Å; P34-L375 HydrophobicContact CB-CG 4.45Å; Y343-L375 HydrophobicContact CE2-CD2 4.22Å; E373-L375 HydrophobicContact CB-CD1 4.41Å; E373-L375 HydrophobicContact CB-CD2 4.02Å; E373-L375 HydrophobicContact CB-CG 4.02Å
376P97.4Very high94.6Very high7 Ų752.9 Ų52.95%0.04528%0.275CS..  trans-72.8134.6168.831.3-33.4000110.5R161 N165R161-P376 HydrophobicContact CB-CB 3.82Å; R161-P376 HydrophobicContact CB-CG 4.45Å; R161-P376 HydrophobicContact CG-CB 4.07Å; R161-P376 WeakPolarHBondContact O-CG 3.38Å; N165-P376 HydrophobicContact CB-CG 3.8Å
377V96.7Very high94.1Very high42 Ų4257.8 Ų57.826%0.25529%0.294SS..  trans-116.6124.2174.9-1730000109.2R161 N379R161-V377 PolarHBondContact NH2-O 3.23Å; V377-N379 PolarHBondContact O-N 3.29Å
378F95.8Very high93.2Very high30 Ų3059 Ų5913%0.13230%0.299CS..  trans-81.4113.9173.4-178.4-105.8000109.6N67 R70 E71 I74N67-F378 HydrophobicContact CB-CB 4.16Å; N67-F378 WeakPolarHBondContact OD1-CB 3.4Å; N67-F378 PolarHBondContact OD1-N 3.36Å; R70-F378 HydrophobicContact CB-CD1 3.68Å; R70-F378 HydrophobicContact CB-CD2 4.09Å; R70-F378 HydrophobicContact CB-CE1 3.7Å; R70-F378 HydrophobicContact CB-CE2 4.11Å; R70-F378 HydrophobicContact CB-CG 3.88Å; R70-F378 HydrophobicContact CB-CZ 3.92Å; R70-F378 HydrophobicContact CG-CD1 4.03Å; R70-F378 HydrophobicContact CG-CE1 4.04Å; E71-F378 HydrophobicContact CG-CD2 3.61Å; E71-F378 HydrophobicContact CG-CE2 4.27Å; E71-F378 HydrophobicContact CG-CG 4.48Å; I74-F378 HydrophobicContact CD1-CE2 3.91Å
379N93.3Very high91.9Very high72 Ų7262 Ų6239%0.38532%0.321SS..SBendtrans-151.4-174.1178.362.624.5000109.9V377 S381 A382 F383V377-N379 PolarHBondContact O-N 3.29Å; N379-S381 VanDerWaalsContact C-N 3.27Å; N379-S381 PolarHBondContact O-N 3.23Å; N379-S381 WeakPolarHBondContact OD1-CA 3.42Å; N379-S381 WeakPolarHBondContact OD1-CB 3.37Å; N379-S381 PolarHBondContact OD1-N 3.21Å; N379-A382 PolarHBondContact O-N 3.05Å; N379-A382 PolarHBondContact OD1-N 2.87Å; N379-F383 WeakPolarHBondContact O-CB 3.46Å; N379-F383 PolarHBondContact O-N 3.45Å
380M91.3Very high90.7Very high124 Ų12463.8 Ų63.861%0.61133%0.333SS*.Hα-helixtrans-61.6-31.7178.5-71.6-61.994.600114F383 K384M380-F383 HydrophobicContact CE-CB 4.07Å; M380-F383 HydrophobicContact CE-CD1 4.34Å; M380-F383 HydrophobicContact CE-CG 4.3Å; M380-F383 HydrophobicContact SD-CD1 4.49Å; M380-K384 WeakPolarHBondContact O-CB 3.3Å; M380-K384 VanDerWaalsContact O-CG 3.28Å; M380-K384 WeakPolarHBondContact O-CG 3.5Å; M380-K384 PolarHBondContact O-N 3.29Å
381S92.3Very high89.7Confident80 Ų8067.4 Ų67.456%0.55935%0.35SS*.Hα-helixtrans-67.3-45.1174.4-54.10000111.1N379 F383 K384 H385N379-S381 VanDerWaalsContact C-N 3.27Å; N379-S381 PolarHBondContact O-N 3.23Å; N379-S381 WeakPolarHBondContact OD1-CA 3.42Å; N379-S381 WeakPolarHBondContact OD1-CB 3.37Å; N379-S381 PolarHBondContact OD1-N 3.21Å; S381-F383 VanDerWaalsContact C-N 3.35Å; S381-F383 PolarHBondContact O-N 3.39Å; S381-K384 PolarHBondContact O-N 3.09Å; S381-H385 PolarHBondContact O-CD2 2.97Å; S381-H385 PolarHBondContact O-N 2.84Å
382A92.2Very high88.9Confident2 Ų271.6 Ų71.62%0.01738%0.384CS..Hα-helixtrans-62-43.4175.400000111.5N379 K384 H385 Y386N379-A382 PolarHBondContact O-N 3.05Å; N379-A382 PolarHBondContact OD1-N 2.87Å; A382-K384 VanDerWaalsContact C-N 3.35Å; A382-K384 PolarHBondContact O-N 3.16Å; A382-H385 WeakPolarHBondContact O-CB 3.36Å; A382-H385 PolarHBondContact O-N 3.01Å; A382-Y386 WeakPolarHBondContact O-CD2 3.45Å; A382-Y386 WeakPolarHBondContact O-CE2 3.41Å
383F91.8Very high88.1Confident60 Ų6073.8 Ų73.826%0.26340%0.397SS..Hα-helixtrans-60.6-41.6177.2-177.9-108000112.6I74 N379 M380 S381 H385 Y386 Q387I74-F383 HydrophobicContact CD1-CD2 3.97Å; I74-F383 HydrophobicContact CG2-CD2 4.35Å; I74-F383 HydrophobicContact CG2-CE2 4.11Å; N379-F383 WeakPolarHBondContact O-CB 3.46Å; N379-F383 PolarHBondContact O-N 3.45Å; M380-F383 HydrophobicContact CE-CB 4.07Å; M380-F383 HydrophobicContact CE-CD1 4.34Å; M380-F383 HydrophobicContact CE-CG 4.3Å; M380-F383 HydrophobicContact SD-CD1 4.49Å; S381-F383 VanDerWaalsContact C-N 3.35Å; S381-F383 PolarHBondContact O-N 3.39Å; F383-H385 VanDerWaalsContact C-N 3.29Å; F383-H385 PolarHBondContact O-N 3Å; F383-Y386 PolarHBondContact O-N 2.94Å; F383-Y386 VanDerWaalsContact O-N 3.14Å; F383-Q387 HydrophobicContact CD1-CG 4.43Å; F383-Q387 HydrophobicContact CE1-CG 4.09Å; F383-Q387 HydrophobicContact CZ-CG 4.27Å
384K90.4Very high87.6Confident137 Ų13780.6 Ų80.660%0.59643%0.434SS*.Hα-helixtrans-59.5-36.3177.6-79.3175.7-179.8-174.50113.1M380 S381 A382 Y386 Q387 M388M380-K384 WeakPolarHBondContact O-CB 3.3Å; M380-K384 VanDerWaalsContact O-CG 3.28Å; M380-K384 WeakPolarHBondContact O-CG 3.5Å; M380-K384 PolarHBondContact O-N 3.29Å; S381-K384 PolarHBondContact O-N 3.09Å; A382-K384 VanDerWaalsContact C-N 3.35Å; A382-K384 PolarHBondContact O-N 3.16Å; K384-Y386 PolarHBondContact O-N 2.99Å; K384-Q387 PolarHBondContact O-N 3.33Å; K384-M388 VanDerWaalsContact O-CG 3.29Å; K384-M388 WeakPolarHBondContact O-CG 2.95Å; K384-M388 PolarHBondContact O-N 2.6Å
385H90.2Very high87.3Confident74 Ų7486.4 Ų86.434%0.34345%0.453SS..Hα-helixtrans-55.4-39.6176.1-85.5-78.6000112.2N154 Y157 S381 A382 F383 Q387N154-H385 PolarHBondContact OD1-O 2.89Å; N154-H385 VanDerWaalsContact OD1-O 3.09Å; Y157-H385 HydrophobicContact CD1-CB 4.03Å; Y157-H385 HydrophobicContact CE1-CB 3.72Å; Y157-H385 HydrophobicContact CE2-CB 4.36Å; Y157-H385 AromaticContact CE2-CD2 3.81Å; Y157-H385 AromaticContact CE2-CG 3.87Å; Y157-H385 HydrophobicContact CG-CB 4.48Å; Y157-H385 AromaticContact CZ-CD2 3.66Å; Y157-H385 AromaticContact CZ-CG 3.77Å; S381-H385 PolarHBondContact O-CD2 2.97Å; S381-H385 PolarHBondContact O-N 2.84Å; A382-H385 WeakPolarHBondContact O-CB 3.36Å; A382-H385 PolarHBondContact O-N 3.01Å; F383-H385 VanDerWaalsContact C-N 3.29Å; F383-H385 PolarHBondContact O-N 3Å; H385-Q387 VanDerWaalsContact C-N 3.28Å; H385-Q387 PolarHBondContact O-N 3.45Å
386Y88Confident86.8Confident27 Ų2791.2 Ų91.211%0.10649%0.487CS..Hα-helixtrans-74.7-15.2178.9-63.3-79.6000114.3E71 I74 L75 Y157 F158 A382 F383 K384E71-Y386 HydrophobicContact CG-CE2 4.28Å; E71-Y386 PolarHBondContact OE2-OH 3.12Å; I74-Y386 HydrophobicContact CD1-CD1 4.39Å; I74-Y386 HydrophobicContact CD1-CD2 3.19Å; I74-Y386 HydrophobicContact CD1-CE2 3.58Å; I74-Y386 HydrophobicContact CD1-CG 3.65Å; I74-Y386 HydrophobicContact CG1-CD1 4.42Å; I74-Y386 HydrophobicContact CG1-CD2 4.04Å; I74-Y386 HydrophobicContact CG1-CE2 4.32Å; I74-Y386 HydrophobicContact CG1-CG 4.08Å; L75-Y386 HydrophobicContact CD2-CE1 4.12Å; Y157-Y386 HydrophobicContact CD1-CE1 4.22Å; Y157-Y386 HydrophobicContact CD1-CE2 4.04Å; Y157-Y386 AromaticContact CD1-CZ 3.72Å; Y157-Y386 HydrophobicContact CE1-CD2 4.47Å; Y157-Y386 AromaticContact CE1-CE2 3.68Å; Y157-Y386 HydrophobicContact CE1-CE2 3.68Å; Y157-Y386 AromaticContact CE1-CZ 3.8Å; F158-Y386 HydrophobicContact CB-CE1 4.01Å; A382-Y386 WeakPolarHBondContact O-CD2 3.45Å; A382-Y386 WeakPolarHBondContact O-CE2 3.41Å; F383-Y386 PolarHBondContact O-N 2.94Å; F383-Y386 VanDerWaalsContact O-N 3.14Å; K384-Y386 PolarHBondContact O-N 2.99Å
387Q84.1Confident86.3Confident124 Ų12496.7 Ų96.758%0.57952%0.515SS*.Hα-helixtrans-97.8-9.8-179.9-63.4-168.8-4500113.4F383 K384 H385 S389F383-Q387 HydrophobicContact CD1-CG 4.43Å; F383-Q387 HydrophobicContact CE1-CG 4.09Å; F383-Q387 HydrophobicContact CZ-CG 4.27Å; K384-Q387 PolarHBondContact O-N 3.33Å; H385-Q387 VanDerWaalsContact C-N 3.28Å; H385-Q387 PolarHBondContact O-N 3.45Å; Q387-S389 PolarHBondContact O-N 3.27Å
388M77.1Confident85.9Confident87 Ų87100 Ų10043%0.42954%0.538SS..PPolyproline II helixtrans-61.8125.3-177.3-60.8-165.7-52.600109.9V150 K384V150-M388 VanDerWaalsContact CG1-O 3.23Å; V150-M388 WeakPolarHBondContact CG1-O 3.44Å; K384-M388 VanDerWaalsContact O-CG 3.29Å; K384-M388 WeakPolarHBondContact O-CG 2.95Å; K384-M388 PolarHBondContact O-N 2.6Å
389S67.8Low85.5Confident91 Ų91102.5 Ų102.564%0.63656%0.559SS**PPolyproline II helixtrans-85.5166.8171.452.80000110.6Q387 E391Q387-S389 PolarHBondContact O-N 3.27Å; S389-E391 PolarHBondContact O-N 3.22Å; S389-E391 VanDerWaalsContact O-N 3.1Å
390S70.3Confident85.3Confident98 Ų98111.1 Ų111.169%0.68559%0.586SS**PPolyproline II helixtrans-56.6118.2171.2-1700000109.8
391E75.5Confident85.2Confident150 Ų150113.4 Ų113.470%0.70160%0.595SS**PPolyproline II helixtrans-89158.8168.9-65.2-176.5172.900109.3S389S389-E391 PolarHBondContact O-N 3.22Å; S389-E391 VanDerWaalsContact O-N 3.1Å
392A79.2Confident85Confident89 Ų89114.5 Ų114.574%0.73660%0.6SS**PPolyproline II helixtrans-68.6142.817100000108.8D394A392-D394 PolarHBondContact O-N 3.37Å
393D81.5Confident84.7Confident119 Ų119121 Ų12164%0.63663%0.628SS**PPolyproline II helixtrans-60132.4178.1-82.9-41.7000110.9W395 I397D393-W395 PolarHBondContact O-N 3.12Å; D393-W395 VanDerWaalsContact O-N 3.13Å; D393-I397 HydrophobicContact CB-CD1 4.05Å; D393-I397 HydrophobicContact CB-CG1 4.08Å; D393-I397 WeakPolarHBondContact OD2-CD1 3.24Å; D393-I397 WeakPolarHBondContact OD2-CG1 3.39Å
394D88.2Confident84.4Confident148 Ų148122.6 Ų122.679%0.79164%0.64SS**SBendtrans-65.5-13.3178.7-73.8-27.1000113.2A392A392-D394 PolarHBondContact O-N 3.37Å
395W91.8Very high84.1Confident223 Ų223122.2 Ų122.285%0.84564%0.643SS**SBendtrans-129.2151.8-176-60.890.8000111.2D393 I397D393-W395 PolarHBondContact O-N 3.12Å; D393-W395 VanDerWaalsContact O-N 3.13Å; W395-I397 PolarHBondContact O-N 3.21Å
396C88.9Confident83.6Confident131 Ų131122.3 Ų122.389%0.88566%0.657SS**PPolyproline II helixtrans-60.5126.1-178.8-61.80000112
397I86.8Confident82.4Confident122 Ų122128.6 Ų128.663%0.62669%0.685SS**PPolyproline II helixtrans-90.4119.5169.1-48.2171000107.9D393 W395D393-I397 HydrophobicContact CB-CD1 4.05Å; D393-I397 HydrophobicContact CB-CG1 4.08Å; D393-I397 WeakPolarHBondContact OD2-CD1 3.24Å; D393-I397 WeakPolarHBondContact OD2-CG1 3.39Å; W395-I397 PolarHBondContact O-N 3.21Å
398P87Confident81.2Confident113 Ų113127.6 Ų127.673%0.73468%0.68SS**PPolyproline II helixtrans-65.9150.7177.927.4-33.9000111.6
399S87.9Confident80.2Confident82 Ų82127.9 Ų127.957%0.57370%0.696SS**PPolyproline II helixtrans-59.2139.5171.6178.50000110.5E401S399-E401 PolarHBondContact O-N 2.97Å; S399-E401 PolarHBondContact OG-N 3.14Å; S399-E401 VanDerWaalsContact OG-N 3.14Å; S399-E401 PolarHBondContact OG-O 3.28Å
400R88.8Confident79.7Confident252 Ų252127.9 Ų127.995%0.95170%0.702SS**SBendtrans-61.9-26.9171.5-68.2-174.3179-177.41112.2P402R400-P402 WeakPolarHBondContact O-CD 3.39Å
401E89Confident78.8Confident172 Ų172134.2 Ų134.280%0.80472%0.723SS**SBendtrans-117.982.8174.8-65.3-178.6-179.800108.1S399S399-E401 PolarHBondContact O-N 2.97Å; S399-E401 PolarHBondContact OG-N 3.14Å; S399-E401 VanDerWaalsContact OG-N 3.14Å; S399-E401 PolarHBondContact OG-O 3.28Å
402P88.4Confident78.9Confident103 Ų103133.5 Ų133.567%0.66973%0.725SS**  trans-65.2138.8177.625.3-31.2000109.9R400 N404R400-P402 WeakPolarHBondContact O-CD 3.39Å; P402-N404 PolarHBondContact O-N 3.21Å
403K86.3Confident78.9Confident140 Ų140135.8 Ų135.861%0.60972%0.724SS**  trans-61.3127.1-175.7-162.8-178.7-168.2-1570110.8L405 E408K403-L405 HydrophobicContact CD-CD2 4.15Å; K403-L405 HydrophobicContact CG-CD2 4.42Å; K403-L405 PolarHBondContact O-N 3.31Å; K403-E408 VanDerWaalsContact CE-CD 3.41Å; K403-E408 WeakPolarHBondContact CE-OE1 2.97Å; K403-E408 WeakPolarHBondContact CE-OE2 3.41Å; K403-E408 IonicContact NZ-OE1 2.71Å; K403-E408 PolarHBondContact NZ-OE1 3.1Å; K403-E408 IonicContact NZ-OE2 2.68Å; K403-E408 PolarHBondContact NZ-OE2 3.2Å
404N84.6Confident78.8Confident93 Ų93136.7 Ų136.750%0.49773%0.729SS.*  trans-83.794175.6-172.2-19.6000110.5P402 A406 K407P402-N404 PolarHBondContact O-N 3.21Å; N404-A406 PolarHBondContact O-N 2.68Å; N404-A406 WeakPolarHBondContact OD1-CB 3.22Å; N404-A406 PolarHBondContact OD1-N 2.71Å; N404-A406 VanDerWaalsContact OD1-N 3.1Å; N404-K407 PolarHBondContact O-N 3.4Å
405L84.8Confident78.2Confident128 Ų128136.1 Ų136.167%0.6773%0.725SS**Hα-helixtrans-66.4-14.6-178.5-60.5176.7000113.9K403K403-L405 HydrophobicContact CD-CD2 4.15Å; K403-L405 HydrophobicContact CG-CD2 4.42Å; K403-L405 PolarHBondContact O-N 3.31Å
406A79.5Confident77.3Confident77 Ų77130.6 Ų130.664%0.63672%0.718SS**Hα-helixtrans-79.2-24.1-179.800000113.5N404N404-A406 PolarHBondContact O-N 2.68Å; N404-A406 WeakPolarHBondContact OD1-CB 3.22Å; N404-A406 PolarHBondContact OD1-N 2.71Å; N404-A406 VanDerWaalsContact OD1-N 3.1Å
407K62.8Low76.6Confident158 Ų158130.6 Ų130.669%0.68771%0.706SS**Hα-helixtrans-80.9-23.5179.3-79.5-173.5175.1-177.50113.6N404N404-K407 PolarHBondContact O-N 3.4Å
408E58.3Low75.8Confident104 Ų104131.2 Ų131.249%0.48671%0.712SS.*Hα-helixtrans-82.8-23.2180-74.2-178.1156.300113.1K403 A410K403-E408 VanDerWaalsContact CE-CD 3.41Å; K403-E408 WeakPolarHBondContact CE-OE1 2.97Å; K403-E408 WeakPolarHBondContact CE-OE2 3.41Å; K403-E408 IonicContact NZ-OE1 2.71Å; K403-E408 PolarHBondContact NZ-OE1 3.1Å; K403-E408 IonicContact NZ-OE2 2.68Å; K403-E408 PolarHBondContact NZ-OE2 3.2Å; E408-A410 PolarHBondContact O-N 3.35Å
409A57Low75Confident93 Ų93132.6 Ų132.677%0.76971%0.711SS**THydrogen-bonded Turntrans-77.2-4.4176.200000113.8
410A56.2Low73.9Confident90 Ų90136.8 Ų136.874%0.74472%0.722SS**THydrogen-bonded Turntrans-108.84.5-179.200000113.5E408E408-A410 PolarHBondContact O-N 3.35Å
411M51.1Low72.6Confident232 Ų232126.4 Ų126.4100%1.14370%0.701SS**  trans-107.60164.1-69.6-176.787.900108.6

Retrieved 411 of 411 residues in 913.2 ms (Link to these results)

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