A0A087XIU8_POEFO Loading...

MAP kinase-activated protein kinase 5

AlphaFold DB , UniProt , Accession A0A087XIU8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 471 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
1M32.9Very low51.6Low237 Ų237126.5 Ų126.5100%1.16764%0.639SS**  0120.70-62.2178.5-167.100106.2
2T36.5Very low55.2Low122 Ų122121.2 Ų121.275%0.74861%0.608SS**  cis-172.2111.65.527.40000105.4
3E32.6Very low58Low205 Ų205125.1 Ų125.196%0.95862%0.623SS**SBendtrans-126.48.1160.8-80.8-170.3168.600111.7
4D41.6Very low60.6Low144 Ų144120.1 Ų120.177%0.7761%0.611SS**  trans-85.5110.6159.1-79.1-38.5000107.5
5N41.5Very low62.8Low106 Ų106115.1 Ų115.157%0.56759%0.592SS**  trans149.933.2152.4-79.3-2.3000116.2E8N5-E8 PolarHBondContact ND2-OE2 2.8Å
6N48.9Very low64.8Low116 Ų116108.1 Ų108.162%0.6256%0.556SS**THydrogen-bonded Turntrans-77.5-18168.6-105.2-10.2000113.9K9 F10N6-K9 PolarHBondContact O-N 3.14Å; N6-F10 WeakPolarHBondContact O-CD2 3.43Å; N6-F10 WeakPolarHBondContact O-CE2 3.36Å
7A49.4Very low66.5Low34 Ų34106.9 Ų106.928%0.28155%0.55SS.*THydrogen-bonded Turntrans-70.4-35.7179.300000113.2K9 F10 R64A7-K9 PolarHBondContact O-N 2.95Å; A7-F10 PolarHBondContact O-N 3.26Å; A7-R64 HydrophobicContact CB-CB 4.03Å; A7-R64 HydrophobicContact CB-CG 3.87Å
8E55Low68.1Low102 Ų102106.7 Ų106.748%0.47755%0.55SS.*G310 helixtrans-66-27.8179.1-64.7-169.6148.400112N5 F10 I11 R60N5-E8 PolarHBondContact ND2-OE2 2.8Å; E8-F10 PolarHBondContact O-N 3.25Å; E8-I11 PolarHBondContact O-N 3.41Å; E8-R60 IonicContact OE1-NH1 2.75Å
9K60.9Low69.6Low173 Ų173104.4 Ų104.475%0.75254%0.537SS*.G310 helixtrans-67.4-18.1179.8-135.3175.7-174.81780114N6 A7N6-K9 PolarHBondContact O-N 3.14Å; A7-K9 PolarHBondContact O-N 2.95Å
10F77.6Confident71Confident125 Ų12599.3 Ų99.355%0.54851%0.511SS..G310 helixtrans-102.2-5.1-179.9-61.2-78.1000113.6N6 A7 E8N6-F10 WeakPolarHBondContact O-CD2 3.43Å; N6-F10 WeakPolarHBondContact O-CE2 3.36Å; A7-F10 PolarHBondContact O-N 3.26Å; E8-F10 PolarHBondContact O-N 3.25Å
11I91.2Very high72.2Confident27 Ų2799.2 Ų99.214%0.13851%0.51CS..EExtended strand (participates in β ladder)trans-91.8115.6179.8-59.5174.7000108.3E8 V81 A83 L98E8-I11 PolarHBondContact O-N 3.41Å; I11-V81 WeakPolarHBondContact CA-O 3.38Å; I11-V81 HydrophobicContact CG1-CB 4.36Å; I11-V81 HydrophobicContact CG1-CG1 4.08Å; I11-V81 HydrophobicContact CG2-CG1 4.47Å; I11-A83 HydrophobicContact CG2-CB 3.48Å; I11-A83 VanDerWaalsContact CG2-CB 3.48Å; I11-L98 HydrophobicContact CD1-CD2 4.4Å
12K94Very high75Confident63 Ų6388.6 Ų88.627%0.27446%0.458SS..EExtended strand (participates in β ladder)trans-79.6133.7176.8-65.4176.3176.4-175.10110.3E19 E80 V81 Y82 A83K12-E19 IonicContact NZ-OE1 2.7Å; K12-E19 PolarHBondContact NZ-OE1 3.18Å; K12-E19 IonicContact NZ-OE2 3.83Å; K12-E19 PolarHBondContact NZ-OE2 2.94Å; K12-E80 WeakPolarHBondContact CE-OE1 3.05Å; K12-E80 IonicContact NZ-OE1 2.69Å; K12-E80 PolarHBondContact NZ-OE1 3.46Å; K12-E80 IonicContact NZ-OE2 3.01Å; K12-V81 PolarHBondContact N-O 3.09Å; K12-Y82 HydrophobicContact CB-CD1 3.57Å; K12-Y82 HydrophobicContact CB-CE1 3.78Å; K12-Y82 HydrophobicContact CB-CG 4.18Å; K12-Y82 HydrophobicContact CD-CD1 4.03Å; K12-Y82 HydrophobicContact CD-CE1 3.37Å; K12-Y82 HydrophobicContact CD-CE2 4.21Å; K12-Y82 VanDerWaalsContact CD-CZ 3.46Å; K12-Y82 WeakPolarHBondContact CD-OH 3.27Å; K12-Y82 HydrophobicContact CG-CD1 4.45Å; K12-Y82 HydrophobicContact CG-CE1 4.24Å; K12-Y82 PolarHBondContact NZ-OH 3.24Å; K12-Y82 CarbonylContact O-C 3.49Å; K12-Y82 VanDerWaalsContact O-CA 3.25Å; K12-Y82 WeakPolarHBondContact O-CA 2.98Å; K12-A83 PolarHBondContact O-N 3.31Å
13E92.1Very high77.6Confident172 Ų17285.5 Ų85.580%0.80444%0.437SS*.  trans-90.3-17.4172-62.7-168.4166.100113N84E13-N84 PolarHBondContact O-ND2 2.66Å
14A93.5Very high80.1Confident55 Ų5580.4 Ų80.446%0.45541%0.409SS..SBendtrans-56155.2174.200000111.1I16 Y82 N84A14-I16 PolarHBondContact O-N 3.22Å; A14-Y82 WeakPolarHBondContact O-CD1 3.43Å; A14-N84 PolarHBondContact O-ND2 3.37Å; A14-N84 PolarHBondContact O-OD1 3.12Å
15S93.9Very high82.1Confident46 Ų4679.5 Ų79.532%0.32241%0.409SS..  trans-66.4124.8178.6175.50000109.7L17 D18S15-L17 PolarHBondContact O-N 2.57Å; S15-L17 VanDerWaalsContact O-N 3.08Å; S15-L17 WeakPolarHBondContact OG-CB 3.42Å; S15-L17 PolarHBondContact OG-N 2.98Å; S15-D18 WeakPolarHBondContact CB-OD2 3.46Å; S15-D18 VanDerWaalsContact O-CB 3.3Å; S15-D18 WeakPolarHBondContact O-CB 3.45Å; S15-D18 PolarHBondContact O-N 3.42Å
16I95.2Very high84.2Confident3 Ų378.4 Ų78.42%0.01540%0.4CS..Hα-helixtrans-55.2-28.9172.7-169.5166.4000111.6A14 D18 E19 Y20 I22 L50 Y82 N84 L99 V101A14-I16 PolarHBondContact O-N 3.22Å; I16-D18 PolarHBondContact O-N 3.46Å; I16-E19 PolarHBondContact O-N 3.33Å; I16-Y20 HydrophobicContact CG1-CD2 3.86Å; I16-Y20 HydrophobicContact CG1-CG 4.3Å; I16-Y20 PolarHBondContact O-N 3.43Å; I16-I22 HydrophobicContact CD1-CD1 4.36Å; I16-I22 HydrophobicContact CG2-CD1 3.75Å; I16-L50 HydrophobicContact CD1-CD1 3.77Å; I16-L50 HydrophobicContact CD1-CD2 4.29Å; I16-Y82 HydrophobicContact CB-CD1 4.04Å; I16-Y82 HydrophobicContact CB-CD2 4.15Å; I16-Y82 HydrophobicContact CB-CE1 4.43Å; I16-Y82 HydrophobicContact CB-CG 3.89Å; I16-Y82 HydrophobicContact CD1-CD2 3.8Å; I16-Y82 HydrophobicContact CD1-CE2 4.24Å; I16-Y82 HydrophobicContact CD1-CG 4.31Å; I16-Y82 HydrophobicContact CG1-CD1 4.48Å; I16-Y82 HydrophobicContact CG1-CD2 3.83Å; I16-Y82 HydrophobicContact CG1-CE2 3.99Å; I16-Y82 HydrophobicContact CG1-CG 4.12Å; I16-N84 PolarHBondContact N-OD1 3.49Å; I16-L99 HydrophobicContact CB-CD1 4.07Å; I16-L99 HydrophobicContact CD1-CB 3.88Å; I16-L99 HydrophobicContact CD1-CD1 4.14Å; I16-L99 HydrophobicContact CG2-CD1 3.55Å; I16-V101 HydrophobicContact CD1-CG2 3.94Å
17L94.4Very high85.9Confident87 Ų8778.4 Ų78.446%0.45540%0.395SS..Hα-helixtrans-70.1-12.6-178.5-59.6178.8000112.3S15 I22 K42S15-L17 PolarHBondContact O-N 2.57Å; S15-L17 VanDerWaalsContact O-N 3.08Å; S15-L17 WeakPolarHBondContact OG-CB 3.42Å; S15-L17 PolarHBondContact OG-N 2.98Å; L17-I22 HydrophobicContact CD2-CD1 3.74Å; L17-I22 HydrophobicContact CD2-CG1 4.14Å; L17-K42 VanDerWaalsContact O-CE 3.26Å; L17-K42 WeakPolarHBondContact O-CE 3.4Å; L17-K42 PolarHBondContact O-NZ 3.34Å
18D95.1Very high87.5Confident104 Ų10480 Ų8056%0.55640%0.398SS*.Hα-helixtrans-71.2-39.6174.5-61.2-21.8000109.9S15 I16 K42S15-D18 WeakPolarHBondContact CB-OD2 3.46Å; S15-D18 VanDerWaalsContact O-CB 3.3Å; S15-D18 WeakPolarHBondContact O-CB 3.45Å; S15-D18 PolarHBondContact O-N 3.42Å; I16-D18 PolarHBondContact O-N 3.46Å; D18-K42 WeakPolarHBondContact O-CD 3.24Å; D18-K42 WeakPolarHBondContact O-CE 3.49Å; D18-K42 PolarHBondContact O-NZ 3.49Å
19E96.3Very high88.3Confident63 Ų6376.5 Ų76.529%0.29439%0.389SS..Hα-helixtrans-102-25.4-174.6-63.7-176-10900113.8K12 I16 K42 Y82K12-E19 IonicContact NZ-OE1 2.7Å; K12-E19 PolarHBondContact NZ-OE1 3.18Å; K12-E19 IonicContact NZ-OE2 3.83Å; K12-E19 PolarHBondContact NZ-OE2 2.94Å; I16-E19 PolarHBondContact O-N 3.33Å; E19-K42 WeakPolarHBondContact O-CB 3.47Å; E19-K42 WeakPolarHBondContact O-CG 3.32Å; E19-K42 PolarHBondContact O-N 3.24Å; E19-Y82 PolarHBondContact OE1-OH 3.4Å; E19-Y82 PolarHBondContact OE2-OH 3Å
20Y96.9Very high88.3Confident2 Ų271.5 Ų71.51%0.00838%0.38CS..EExtended strand (participates in β ladder)trans-127.6147.3-172-65.2-90000113.4I16 V40 K41 L48 E80 Y82 V101I16-Y20 HydrophobicContact CG1-CD2 3.86Å; I16-Y20 HydrophobicContact CG1-CG 4.3Å; I16-Y20 PolarHBondContact O-N 3.43Å; Y20-V40 CarbonylContact C-O 3.56Å; Y20-V40 WeakPolarHBondContact CA-O 3.28Å; Y20-K41 HydrophobicContact CD1-CB 3.99Å; Y20-K41 HydrophobicContact CD1-CG 4.37Å; Y20-K41 HydrophobicContact CE1-CB 3.57Å; Y20-K41 HydrophobicContact CE1-CD 4.13Å; Y20-K41 HydrophobicContact CE1-CG 3.76Å; Y20-L48 HydrophobicContact CE1-CD1 3.7Å; Y20-E80 WeakPolarHBondContact CE2-OE2 3.45Å; Y20-E80 VanDerWaalsContact CZ-OE2 3.23Å; Y20-E80 PolarHBondContact OH-OE2 3.36Å; Y20-Y82 HydrophobicContact CD2-CE2 4.32Å; Y20-Y82 AromaticContact CE2-CE2 3.98Å; Y20-Y82 HydrophobicContact CE2-CE2 3.98Å; Y20-Y82 WeakPolarHBondContact CE2-OH 3.49Å; Y20-V101 HydrophobicContact CE1-CG1 3.91Å; Y20-V101 HydrophobicContact CE2-CG2 4.28Å
21I95.9Very high87.3Confident97 Ų9767.6 Ų67.650%0.49738%0.375SS..EExtended strand (participates in β ladder)trans-100.7119.2167.2-59.1170.2000107.5C39 V40 K42I21-C39 CarbonylContact O-C 3.6Å; I21-C39 VanDerWaalsContact O-CA 3.24Å; I21-C39 WeakPolarHBondContact O-CA 3.06Å; I21-V40 PolarHBondContact N-O 3.12Å; I21-V40 PolarHBondContact O-N 2.81Å; I21-K42 HydrophobicContact CD1-CG 4.15Å; I21-K42 HydrophobicContact CG1-CD 4.45Å; I21-K42 HydrophobicContact CG1-CG 3.83Å
22I93.2Very high85.6Confident15 Ų1572.8 Ų72.88%0.07740%0.401CS..EExtended strand (participates in β ladder)trans-98.8127.3-177.1-56.9172.6000109.7I16 L17 W24 C39 L50I16-I22 HydrophobicContact CD1-CD1 4.36Å; I16-I22 HydrophobicContact CG2-CD1 3.75Å; L17-I22 HydrophobicContact CD2-CD1 3.74Å; L17-I22 HydrophobicContact CD2-CG1 4.14Å; I22-W24 HydrophobicContact CB-CD2 4.38Å; I22-W24 HydrophobicContact CB-CZ2 3.93Å; I22-W24 HydrophobicContact CD1-CH2 3.94Å; I22-W24 HydrophobicContact CD1-CZ2 3.57Å; I22-W24 HydrophobicContact CG1-CZ2 4.34Å; I22-W24 HydrophobicContact CG2-CD2 3.7Å; I22-W24 HydrophobicContact CG2-CE3 3.98Å; I22-W24 HydrophobicContact CG2-CG 4.26Å; I22-W24 HydrophobicContact CG2-CH2 4.02Å; I22-W24 HydrophobicContact CG2-CZ2 3.74Å; I22-W24 HydrophobicContact CG2-CZ3 4.14Å; I22-W24 PolarHBondContact O-N 3.13Å; I22-C39 HydrophobicContact CG1-CB 4.35Å; I22-L50 HydrophobicContact CB-CD2 4.45Å; I22-L50 HydrophobicContact CD1-CD2 3.56Å; I22-L50 HydrophobicContact CG1-CD2 3.81Å; I22-L50 HydrophobicContact CG2-CD2 3.8Å
23N90.8Very high84.1Confident56 Ų5671 Ų7130%0.29940%0.397SS..EExtended strand (participates in β ladder)trans-87.698.2170.8-171.4-24.4000110T25 Q26 V38N23-T25 VanDerWaalsContact C-N 3.32Å; N23-T25 PolarHBondContact O-N 2.93Å; N23-T25 PolarHBondContact OD1-N 2.92Å; N23-T25 VanDerWaalsContact OD1-N 3.14Å; N23-T25 PolarHBondContact OD1-OG1 3.27Å; N23-Q26 HydrophobicContact CB-CB 4.34Å; N23-Q26 WeakPolarHBondContact ND2-CB 3.29Å; N23-Q26 PolarHBondContact ND2-OE1 2.99Å; N23-Q26 PolarHBondContact OD1-N 3.47Å; N23-V38 HydrophobicContact CB-CB 4.22Å; N23-V38 WeakPolarHBondContact CB-O 3.34Å; N23-V38 PolarHBondContact N-O 2.79Å
24W85.4Confident83.2Confident98 Ų9863.4 Ų63.437%0.37137%0.365SS..EExtended strand (participates in β ladder)trans-76.8-12.7-177.7-61.5106.3000114.6I22 R37 I52 V86 F88I22-W24 HydrophobicContact CB-CD2 4.38Å; I22-W24 HydrophobicContact CB-CZ2 3.93Å; I22-W24 HydrophobicContact CD1-CH2 3.94Å; I22-W24 HydrophobicContact CD1-CZ2 3.57Å; I22-W24 HydrophobicContact CG1-CZ2 4.34Å; I22-W24 HydrophobicContact CG2-CD2 3.7Å; I22-W24 HydrophobicContact CG2-CE3 3.98Å; I22-W24 HydrophobicContact CG2-CG 4.26Å; I22-W24 HydrophobicContact CG2-CH2 4.02Å; I22-W24 HydrophobicContact CG2-CZ2 3.74Å; I22-W24 HydrophobicContact CG2-CZ3 4.14Å; I22-W24 PolarHBondContact O-N 3.13Å; W24-R37 PolarHBondContact O-NH1 3.31Å; W24-R37 PolarHBondContact O-NH2 3.46Å; W24-R37 VanDerWaalsContact O-NH2 3.08Å; W24-I52 HydrophobicContact CH2-CD1 4.32Å; W24-I52 HydrophobicContact CZ3-CD1 3.7Å; W24-V86 HydrophobicContact CH2-CG1 4.06Å; W24-F88 HydrophobicContact CE3-CE1 4.06Å; W24-F88 HydrophobicContact CE3-CZ 4.38Å; W24-F88 AromaticContact CZ3-CE1 3.83Å; W24-F88 HydrophobicContact CZ3-CE1 3.83Å; W24-F88 AromaticContact CZ3-CZ 3.68Å; W24-F88 HydrophobicContact CZ3-CZ 3.68Å
25T83.7Confident83Confident125 Ų12562.9 Ų62.977%0.76736%0.357SS*.EExtended strand (participates in β ladder)trans-94.1-41.3179.758.70000110.8N23 K27 R37N23-T25 VanDerWaalsContact C-N 3.32Å; N23-T25 PolarHBondContact O-N 2.93Å; N23-T25 PolarHBondContact OD1-N 2.92Å; N23-T25 VanDerWaalsContact OD1-N 3.14Å; N23-T25 PolarHBondContact OD1-OG1 3.27Å; T25-K27 PolarHBondContact O-N 3.45Å; T25-R37 VanDerWaalsContact C-NH1 3.33Å; T25-R37 PolarHBondContact O-NH1 3.42Å
26Q84.8Confident82.8Confident83 Ų8362 Ų6239%0.38835%0.349SS..EExtended strand (participates in β ladder)trans-75.6116.8179.3-169.81740.500111.3N23 R37 V38N23-Q26 HydrophobicContact CB-CB 4.34Å; N23-Q26 WeakPolarHBondContact ND2-CB 3.29Å; N23-Q26 PolarHBondContact ND2-OE1 2.99Å; N23-Q26 PolarHBondContact OD1-N 3.47Å; Q26-R37 WeakPolarHBondContact O-CD 3.18Å; Q26-R37 PolarHBondContact O-NH1 3.32Å; Q26-V38 HydrophobicContact CG-CG2 4.01Å
27K84.6Confident82.7Confident117 Ų11763.8 Ų63.851%0.50936%0.356SS..EExtended strand (participates in β ladder)trans-103.5127.5176.9-171.2178.9179.3-175.70108.9T25 G29T25-K27 PolarHBondContact O-N 3.45Å; K27-G29 VanDerWaalsContact CE-O 3.3Å; K27-G29 WeakPolarHBondContact CE-O 3.11Å; K27-G29 WeakPolarHBondContact CG-O 3.34Å
28L82.9Confident82.7Confident68 Ų6859.9 Ų59.936%0.35634%0.336SS..EExtended strand (participates in β ladder)trans-87.7-33.7174.8-63.9179.9000111.5V36 V38 A49 M104L28-V36 HydrophobicContact CB-CB 4.4Å; L28-V36 HydrophobicContact CB-CG1 4.18Å; L28-V36 HydrophobicContact CD1-CG1 4.3Å; L28-V36 PolarHBondContact N-O 3.23Å; L28-V38 HydrophobicContact CD1-CG2 3.79Å; L28-V38 HydrophobicContact CD2-CG2 3.47Å; L28-V38 VanDerWaalsContact CD2-CG2 3.47Å; L28-V38 HydrophobicContact CG-CG2 3.65Å; L28-A49 HydrophobicContact CD1-CB 4.14Å; L28-M104 HydrophobicContact CD1-CE 3.71Å; L28-M104 HydrophobicContact CD1-SD 3.73Å; L28-M104 HydrophobicContact CD2-CE 3.78Å; L28-M104 HydrophobicContact CG-CE 4.39Å
29G72.1Confident82.7Confident28 Ų2854.9 Ų54.929%0.28931%0.309SS..EExtended strand (participates in β ladder)trans-167.7164.5176.900000112.1K27 V36K27-G29 VanDerWaalsContact CE-O 3.3Å; K27-G29 WeakPolarHBondContact CE-O 3.11Å; K27-G29 WeakPolarHBondContact CG-O 3.34Å; G29-V36 PolarHBondContact O-N 2.87Å
30A60.9Low82.8Confident67 Ų6753.5 Ų53.555%0.55431%0.305SS*.EExtended strand (participates in β ladder)trans-131.1104.1160.700000108.4
31G56.8Low82.8Confident43 Ų4355.8 Ų55.844%0.44332%0.315SS..  trans-88.5175166.800000111.4S33 G34G31-S33 PolarHBondContact O-N 2.95Å; G31-G34 PolarHBondContact N-O 2.63Å; G31-G34 PolarHBondContact O-N 3.14Å
32I54.2Low82.9Confident136 Ų13655.4 Ų55.470%0.69731%0.31SS*.SBendtrans-60.1-26.4169.7-62.7166.6000111.1F172I32-F172 HydrophobicContact CG2-CE2 4.46Å; I32-F172 HydrophobicContact CG2-CZ 4.14Å
33S62.9Low83Confident26 Ų2659.6 Ų59.618%0.18234%0.34CS..SBendtrans-74.7-39.1179.947.90000112.3G31 K51 L53 D169G31-S33 PolarHBondContact O-N 2.95Å; S33-K51 VanDerWaalsContact CB-CE 3.45Å; S33-K51 WeakPolarHBondContact OG-CE 3.4Å; S33-K51 PolarHBondContact OG-NZ 3.19Å; S33-K51 VanDerWaalsContact OG-NZ 3.1Å; S33-L53 VanDerWaalsContact C-CD2 3.5Å; S33-L53 WeakPolarHBondContact O-CD2 3.43Å; S33-D169 WeakPolarHBondContact CB-OD1 3.27Å; S33-D169 PolarHBondContact OG-OD1 3.22Å; S33-D169 PolarHBondContact OG-OD2 3.27Å
34G74.6Confident83.2Confident13 Ų1360 Ų6013%0.13435%0.347CS..  trans159174.2176.300000113.1G31G31-G34 PolarHBondContact N-O 2.63Å; G31-G34 PolarHBondContact O-N 3.14Å
35P87.8Confident83.7Confident43 Ų4361.3 Ų61.328%0.27936%0.358SS..EExtended strand (participates in β ladder)trans-70141.9176.328.6-33.2000111.7I52P35-I52 WeakPolarHBondContact CD-O 3.45Å; P35-I52 HydrophobicContact CG-CB 4.27Å; P35-I52 PolarHBondContact O-N 2.85Å; P35-I52 VanDerWaalsContact O-N 3.1Å
36V90.9Very high84.3Confident27 Ų2760.1 Ų60.116%0.16434%0.343CS..EExtended strand (participates in β ladder)trans-113.2131172.3-171.50000109.5L28 G29 A49 L50 K51L28-V36 HydrophobicContact CB-CB 4.4Å; L28-V36 HydrophobicContact CB-CG1 4.18Å; L28-V36 HydrophobicContact CD1-CG1 4.3Å; L28-V36 PolarHBondContact N-O 3.23Å; G29-V36 PolarHBondContact O-N 2.87Å; V36-A49 HydrophobicContact CG1-CB 4.23Å; V36-L50 CarbonylContact C-O 3.6Å; V36-L50 VanDerWaalsContact CA-O 3.3Å; V36-L50 WeakPolarHBondContact CA-O 3.37Å; V36-K51 HydrophobicContact CG2-CB 4.24Å; V36-K51 HydrophobicContact CG2-CG 4.19Å
37R92.4Very high84.9Confident41 Ų4161.7 Ų61.716%0.15535%0.346CS..EExtended strand (participates in β ladder)trans-123161.2-175.3-62.2-64.6-172.11646.9111W24 T25 Q26 L50 I52W24-R37 PolarHBondContact O-NH1 3.31Å; W24-R37 PolarHBondContact O-NH2 3.46Å; W24-R37 VanDerWaalsContact O-NH2 3.08Å; T25-R37 VanDerWaalsContact C-NH1 3.33Å; T25-R37 PolarHBondContact O-NH1 3.42Å; Q26-R37 WeakPolarHBondContact O-CD 3.18Å; Q26-R37 PolarHBondContact O-NH1 3.32Å; R37-L50 HydrophobicContact CB-CB 4.49Å; R37-L50 PolarHBondContact N-O 3.17Å; R37-L50 PolarHBondContact O-N 2.91Å; R37-I52 HydrophobicContact CG-CD1 4.18Å
38V94.9Very high85.4Confident5 Ų556.1 Ų56.13%0.0332%0.322CS..EExtended strand (participates in β ladder)trans-79.8137.9166.7179.70000108.8N23 Q26 L28N23-V38 HydrophobicContact CB-CB 4.22Å; N23-V38 WeakPolarHBondContact CB-O 3.34Å; N23-V38 PolarHBondContact N-O 2.79Å; Q26-V38 HydrophobicContact CG-CG2 4.01Å; L28-V38 HydrophobicContact CD1-CG2 3.79Å; L28-V38 HydrophobicContact CD2-CG2 3.47Å; L28-V38 VanDerWaalsContact CD2-CG2 3.47Å; L28-V38 HydrophobicContact CG-CG2 3.65Å
39C95.6Very high86Confident0 Ų053.3 Ų53.30%031%0.308CS..EExtended strand (participates in β ladder)trans-130.8160164.467.80000110.4I21 I22 L48 L50I21-C39 CarbonylContact O-C 3.6Å; I21-C39 VanDerWaalsContact O-CA 3.24Å; I21-C39 WeakPolarHBondContact O-CA 3.06Å; I22-C39 HydrophobicContact CG1-CB 4.35Å; C39-L48 PolarHBondContact N-O 3.28Å; C39-L48 PolarHBondContact O-N 3.06Å; C39-L50 HydrophobicContact CB-CB 4.15Å
40V97.1Very high87.1Confident34 Ų3452 Ų5221%0.20629%0.294CS..EExtended strand (participates in β ladder)trans-127126.2179-1780000108.7Y20 I21 K42 E46 R47Y20-V40 CarbonylContact C-O 3.56Å; Y20-V40 WeakPolarHBondContact CA-O 3.28Å; I21-V40 PolarHBondContact N-O 3.12Å; I21-V40 PolarHBondContact O-N 2.81Å; V40-K42 PolarHBondContact O-N 3.31Å; V40-E46 CarbonylContact C-O 3.14Å; V40-E46 VanDerWaalsContact CA-O 3.29Å; V40-E46 WeakPolarHBondContact CA-O 3.47Å; V40-R47 HydrophobicContact CG2-CG 4.19Å
41K97.3Very high88.7Confident50 Ų5049.2 Ų49.222%0.21727%0.27CS..EExtended strand (participates in β ladder)trans-71.5124.2175.1-169.5167.3-172.4158.20109.5Y20 S43 Q45 E46 L48Y20-K41 HydrophobicContact CD1-CB 3.99Å; Y20-K41 HydrophobicContact CD1-CG 4.37Å; Y20-K41 HydrophobicContact CE1-CB 3.57Å; Y20-K41 HydrophobicContact CE1-CD 4.13Å; Y20-K41 HydrophobicContact CE1-CG 3.76Å; K41-S43 VanDerWaalsContact C-N 3.32Å; K41-S43 PolarHBondContact O-N 3.34Å; K41-Q45 VanDerWaalsContact O-CA 3.23Å; K41-Q45 WeakPolarHBondContact O-CA 3.45Å; K41-Q45 PolarHBondContact O-N 3.15Å; K41-E46 PolarHBondContact N-O 3.24Å; K41-L48 HydrophobicContact CB-CD1 4.21Å
42K96.9Very high90.3Very high89 Ų8947.2 Ų47.239%0.38725%0.249SC..THydrogen-bonded Turntrans-62.1-38.6-174-70.5-178.9-169.7171.50113L17 D18 E19 I21 V40 Q45L17-K42 VanDerWaalsContact O-CE 3.26Å; L17-K42 WeakPolarHBondContact O-CE 3.4Å; L17-K42 PolarHBondContact O-NZ 3.34Å; D18-K42 WeakPolarHBondContact O-CD 3.24Å; D18-K42 WeakPolarHBondContact O-CE 3.49Å; D18-K42 PolarHBondContact O-NZ 3.49Å; E19-K42 WeakPolarHBondContact O-CB 3.47Å; E19-K42 WeakPolarHBondContact O-CG 3.32Å; E19-K42 PolarHBondContact O-N 3.24Å; I21-K42 HydrophobicContact CD1-CG 4.15Å; I21-K42 HydrophobicContact CG1-CD 4.45Å; I21-K42 HydrophobicContact CG1-CG 3.83Å; V40-K42 PolarHBondContact O-N 3.31Å; K42-Q45 PolarHBondContact O-NE2 2.85Å
43S96.4Very high92.1Very high102 Ų10241 Ų4171%0.71322%0.217SC*.THydrogen-bonded Turntrans-71.1-38.2-175.161.70000113.6K41K41-S43 VanDerWaalsContact C-N 3.32Å; K41-S43 PolarHBondContact O-N 3.34Å
44S95.8Very high93.5Very high64 Ų6443 Ų4345%0.44823%0.225SC..THydrogen-bonded Turntrans-107.4-11-175.556.50000114E46S44-E46 PolarHBondContact O-N 2.99Å; S44-E46 VanDerWaalsContact OG-CB 3.26Å; S44-E46 WeakPolarHBondContact OG-CB 3.07Å; S44-E46 PolarHBondContact OG-N 3.48Å
45Q95.9Very high94.3Very high127 Ų12744 Ų4459%0.59323%0.227SC*.  trans57.619-168.4-59.8-63.4-56.800113.7K41 K42K41-Q45 VanDerWaalsContact O-CA 3.23Å; K41-Q45 WeakPolarHBondContact O-CA 3.45Å; K41-Q45 PolarHBondContact O-N 3.15Å; K42-Q45 PolarHBondContact O-NE2 2.85Å
46E95.9Very high94.5Very high100 Ų10049.7 Ų49.747%0.46724%0.243SC..  trans-72.9131.5-179.7-173.4179.9-173.100111V40 K41 S44 L48V40-E46 CarbonylContact C-O 3.14Å; V40-E46 VanDerWaalsContact CA-O 3.29Å; V40-E46 WeakPolarHBondContact CA-O 3.47Å; K41-E46 PolarHBondContact N-O 3.24Å; S44-E46 PolarHBondContact O-N 2.99Å; S44-E46 VanDerWaalsContact OG-CB 3.26Å; S44-E46 WeakPolarHBondContact OG-CB 3.07Å; S44-E46 PolarHBondContact OG-N 3.48Å; E46-L48 HydrophobicContact CG-CD2 4.1Å; E46-L48 HydrophobicContact CG-CG 4.18Å
47R95.8Very high94.4Very high115 Ų11553.7 Ų53.743%0.43427%0.27SS..EExtended strand (participates in β ladder)trans-82.9128.7175.8-68.7176.865.6-130.6-6.5110.1V40 M104 E106V40-R47 HydrophobicContact CG2-CG 4.19Å; R47-M104 WeakPolarHBondContact O-CB 3.29Å; R47-E106 IonicContact CZ-OE1 3.78Å; R47-E106 IonicContact NH1-OE1 3.91Å; R47-E106 PolarHBondContact NH1-OE1 3.2Å; R47-E106 IonicContact NH2-OE1 2.76Å
48L96.6Very high94Very high1 Ų158.4 Ų58.41%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-137.7163.6-171.8-65.3168.4000110.8Y20 C39 K41 E46 L79 V101Y20-L48 HydrophobicContact CE1-CD1 3.7Å; C39-L48 PolarHBondContact N-O 3.28Å; C39-L48 PolarHBondContact O-N 3.06Å; K41-L48 HydrophobicContact CB-CD1 4.21Å; E46-L48 HydrophobicContact CG-CD2 4.1Å; E46-L48 HydrophobicContact CG-CG 4.18Å; L48-L79 HydrophobicContact CD1-CD1 3.92Å; L48-L79 HydrophobicContact CD2-CD1 3.47Å; L48-L79 VanDerWaalsContact CD2-CD1 3.47Å; L48-L79 HydrophobicContact CG-CD1 4.3Å; L48-V101 HydrophobicContact CB-CG1 4.2Å; L48-V101 HydrophobicContact CD1-CG1 3.88Å
49A95.4Very high93.7Very high8 Ų858.7 Ų58.77%0.06629%0.294CS..EExtended strand (participates in β ladder)trans-97.9136.6176.100000110.5L28 V36 M102 M104L28-A49 HydrophobicContact CD1-CB 4.14Å; V36-A49 HydrophobicContact CG1-CB 4.23Å; A49-M102 HydrophobicContact CB-CB 4.41Å; A49-M102 HydrophobicContact CB-CE 4.31Å; A49-M102 PolarHBondContact N-O 2.88Å; A49-M102 PolarHBondContact O-N 2.88Å; A49-M104 HydrophobicContact CB-SD 4.36Å
50L95.1Very high93.5Very high0 Ų062.5 Ų62.50%031%0.308CS..EExtended strand (participates in β ladder)trans-118110.7177.3176.263000110I16 I22 V36 R37 C39 I52 L99 I100 V101I16-L50 HydrophobicContact CD1-CD1 3.77Å; I16-L50 HydrophobicContact CD1-CD2 4.29Å; I22-L50 HydrophobicContact CB-CD2 4.45Å; I22-L50 HydrophobicContact CD1-CD2 3.56Å; I22-L50 HydrophobicContact CG1-CD2 3.81Å; I22-L50 HydrophobicContact CG2-CD2 3.8Å; V36-L50 CarbonylContact C-O 3.6Å; V36-L50 VanDerWaalsContact CA-O 3.3Å; V36-L50 WeakPolarHBondContact CA-O 3.37Å; R37-L50 HydrophobicContact CB-CB 4.49Å; R37-L50 PolarHBondContact N-O 3.17Å; R37-L50 PolarHBondContact O-N 2.91Å; C39-L50 HydrophobicContact CB-CB 4.15Å; L50-I52 HydrophobicContact CD2-CD1 4.16Å; L50-I52 HydrophobicContact CD2-CG1 4.28Å; L50-I52 HydrophobicContact CG-CD1 4.34Å; L50-I52 HydrophobicContact CG-CG1 3.98Å; L50-L99 HydrophobicContact CD1-CB 3.97Å; L50-I100 WeakPolarHBondContact CA-O 3.31Å; L50-V101 HydrophobicContact CD1-CG2 4.23Å
51K93.2Very high93.1Very high10 Ų1063.5 Ų63.54%0.04331%0.313CS..EExtended strand (participates in β ladder)trans-92.4136.5171.3-175.8178.4-163.4-176.90110.2S33 V36 L53 E62 I100 M102 D169S33-K51 VanDerWaalsContact CB-CE 3.45Å; S33-K51 WeakPolarHBondContact OG-CE 3.4Å; S33-K51 PolarHBondContact OG-NZ 3.19Å; S33-K51 VanDerWaalsContact OG-NZ 3.1Å; V36-K51 HydrophobicContact CG2-CB 4.24Å; V36-K51 HydrophobicContact CG2-CG 4.19Å; K51-L53 HydrophobicContact CD-CD2 4.43Å; K51-L53 HydrophobicContact CG-CD2 4.24Å; K51-L53 HydrophobicContact CG-CG 4.5Å; K51-E62 WeakPolarHBondContact CE-OE1 3.33Å; K51-E62 IonicContact NZ-OE1 3.61Å; K51-E62 PolarHBondContact NZ-OE1 2.96Å; K51-I100 HydrophobicContact CB-CB 4.28Å; K51-I100 HydrophobicContact CB-CD1 4.45Å; K51-I100 HydrophobicContact CD-CD1 4.29Å; K51-I100 HydrophobicContact CG-CD1 4.42Å; K51-I100 PolarHBondContact N-O 3.02Å; K51-I100 PolarHBondContact O-N 3.05Å; K51-M102 HydrophobicContact CB-CE 3.62Å; K51-M102 HydrophobicContact CB-SD 4.45Å; K51-M102 HydrophobicContact CD-CE 4.47Å; K51-D169 IonicContact NZ-OD1 3.83Å; K51-D169 PolarHBondContact NZ-OD1 3.36Å; K51-D169 IonicContact NZ-OD2 3.82Å
52I92.1Very high92.7Very high1 Ų161.7 Ų61.71%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-122.3114.8-172.7-53.7177.9000109.5W24 P35 R37 L50 F88 R97 L99W24-I52 HydrophobicContact CH2-CD1 4.32Å; W24-I52 HydrophobicContact CZ3-CD1 3.7Å; P35-I52 WeakPolarHBondContact CD-O 3.45Å; P35-I52 HydrophobicContact CG-CB 4.27Å; P35-I52 PolarHBondContact O-N 2.85Å; P35-I52 VanDerWaalsContact O-N 3.1Å; R37-I52 HydrophobicContact CG-CD1 4.18Å; L50-I52 HydrophobicContact CD2-CD1 4.16Å; L50-I52 HydrophobicContact CD2-CG1 4.28Å; L50-I52 HydrophobicContact CG-CD1 4.34Å; L50-I52 HydrophobicContact CG-CG1 3.98Å; I52-F88 HydrophobicContact CD1-CZ 3.79Å; I52-F88 HydrophobicContact CG2-CE2 4.05Å; I52-F88 HydrophobicContact CG2-CZ 3.98Å; I52-R97 HydrophobicContact CG2-CB 4.49Å; I52-L99 HydrophobicContact CB-CD2 4.21Å; I52-L99 HydrophobicContact CD1-CD2 4.31Å; I52-L99 HydrophobicContact CG1-CD2 3.82Å; I52-L99 HydrophobicContact CG2-CD2 3.78Å
53L91.4Very high92.5Very high6 Ų657.9 Ų57.93%0.03129%0.289CS..EExtended strand (participates in β ladder)trans-114.9150.6179.2-54.5-177.2000110.4S33 K51 D55 A59 E62 R97 L98 I100S33-L53 VanDerWaalsContact C-CD2 3.5Å; S33-L53 WeakPolarHBondContact O-CD2 3.43Å; K51-L53 HydrophobicContact CD-CD2 4.43Å; K51-L53 HydrophobicContact CG-CD2 4.24Å; K51-L53 HydrophobicContact CG-CG 4.5Å; L53-D55 PolarHBondContact O-N 3.28Å; L53-A59 HydrophobicContact CB-CB 3.92Å; L53-A59 HydrophobicContact CD1-CB 3.81Å; L53-E62 HydrophobicContact CD1-CG 4.49Å; L53-R97 CarbonylContact O-C 3.58Å; L53-R97 WeakPolarHBondContact O-CA 3.21Å; L53-R97 VanDerWaalsContact O-CB 3.29Å; L53-R97 WeakPolarHBondContact O-CB 3.31Å; L53-L98 HydrophobicContact CB-CB 4.37Å; L53-L98 PolarHBondContact N-O 2.98Å; L53-L98 PolarHBondContact O-N 2.7Å; L53-I100 HydrophobicContact CD1-CD1 3.6Å; L53-I100 HydrophobicContact CG-CD1 3.97Å
54I91.4Very high92.2Very high67 Ų6756.8 Ų56.834%0.34427%0.269SS..EExtended strand (participates in β ladder)trans-70.1130165.1-59.3177.6000107.4R56 A59I54-R56 HydrophobicContact CG2-CG 4.07Å; I54-R56 PolarHBondContact O-N 3.44Å; I54-A59 WeakPolarHBondContact O-CB 3.25Å
55D92.9Very high92Very high35 Ų3553.7 Ų53.719%0.18725%0.248CC..  trans-68.8105.4-179.1-169.83.9000110.5L53 R60 A96 L98L53-D55 PolarHBondContact O-N 3.28Å; D55-R60 WeakPolarHBondContact OD1-CG 3.31Å; D55-R60 IonicContact OD1-CZ 3.56Å; D55-R60 IonicContact OD1-NE 2.63Å; D55-R60 PolarHBondContact OD1-NE 3.07Å; D55-R60 IonicContact OD1-NH2 3.22Å; D55-R60 IonicContact OD2-CZ 2.62Å; D55-R60 IonicContact OD2-NE 2.8Å; D55-R60 PolarHBondContact OD2-NE 3.13Å; D55-R60 IonicContact OD2-NH2 2.9Å; D55-R60 PolarHBondContact OD2-NH2 3.45Å; D55-A96 HydrophobicContact CB-CB 4.02Å; D55-A96 PolarHBondContact N-O 3.14Å; D55-L98 HydrophobicContact CB-CD2 4.38Å; D55-L98 HydrophobicContact CB-CG 4.05Å
56R90.9Very high91.8Very high161 Ų16148 Ų4861%0.60822%0.221SC*.SBendtrans-145.6158.4179.9-68.1-170.5178.5-177.6-0.7108.7I54 K58 A59 R60I54-R56 HydrophobicContact CG2-CG 4.07Å; I54-R56 PolarHBondContact O-N 3.44Å; R56-K58 PolarHBondContact O-N 2.89Å; R56-K58 VanDerWaalsContact O-N 3.09Å; R56-A59 WeakPolarHBondContact O-CB 3.48Å; R56-A59 PolarHBondContact O-N 2.99Å; R56-R60 PolarHBondContact O-N 3.2Å
57P88.1Confident91.6Very high112 Ų11245.9 Ų45.973%0.72721%0.212SC*.Hα-helixtrans-51.2-38.9178.9-29.835.9000114.1R60 N61P57-R60 PolarHBondContact O-N 3.44Å; P57-N61 WeakPolarHBondContact O-CB 3.43Å; P57-N61 PolarHBondContact O-N 2.89Å
58K85.2Confident91.4Very high140 Ų14044.2 Ų44.261%0.60921%0.21SC*.Hα-helixtrans-61.8-43.9176.1-172.6-180176.8-175.50112.6R56 N61 E62 G171R56-K58 PolarHBondContact O-N 2.89Å; R56-K58 VanDerWaalsContact O-N 3.09Å; K58-N61 PolarHBondContact O-N 3.19Å; K58-E62 PolarHBondContact O-N 2.55Å; K58-G171 WeakPolarHBondContact CE-O 3.27Å
59A89.3Confident91.2Very high10 Ų1044.1 Ų44.18%0.08321%0.21CC..Hα-helixtrans-69.8-39.917900000111.6L53 I54 R56 N61 E62 V63 L98L53-A59 HydrophobicContact CB-CB 3.92Å; L53-A59 HydrophobicContact CD1-CB 3.81Å; I54-A59 WeakPolarHBondContact O-CB 3.25Å; R56-A59 WeakPolarHBondContact O-CB 3.48Å; R56-A59 PolarHBondContact O-N 2.99Å; A59-N61 VanDerWaalsContact C-N 3.31Å; A59-N61 PolarHBondContact O-N 2.8Å; A59-E62 WeakPolarHBondContact O-CB 3.35Å; A59-E62 PolarHBondContact O-N 2.82Å; A59-V63 WeakPolarHBondContact O-CG2 3.15Å; A59-V63 PolarHBondContact O-N 3.45Å; A59-L98 HydrophobicContact CB-CD1 3.91Å
60R90.9Very high90.9Very high80 Ų8044.1 Ų44.130%0.30221%0.21SC..Hα-helixtrans-61.4-40.4172.8-69.3-172.9173.3-123.9-5.8111.9E8 D55 R56 P57 V63 R64 L98E8-R60 IonicContact OE1-NH1 2.75Å; D55-R60 WeakPolarHBondContact OD1-CG 3.31Å; D55-R60 IonicContact OD1-CZ 3.56Å; D55-R60 IonicContact OD1-NE 2.63Å; D55-R60 PolarHBondContact OD1-NE 3.07Å; D55-R60 IonicContact OD1-NH2 3.22Å; D55-R60 IonicContact OD2-CZ 2.62Å; D55-R60 IonicContact OD2-NE 2.8Å; D55-R60 PolarHBondContact OD2-NE 3.13Å; D55-R60 IonicContact OD2-NH2 2.9Å; D55-R60 PolarHBondContact OD2-NH2 3.45Å; R56-R60 PolarHBondContact O-N 3.2Å; P57-R60 PolarHBondContact O-N 3.44Å; R60-V63 PolarHBondContact O-N 2.83Å; R60-R64 WeakPolarHBondContact O-CB 3.27Å; R60-R64 PolarHBondContact O-N 3.05Å; R60-L98 HydrophobicContact CB-CD1 4.41Å; R60-L98 HydrophobicContact CG-CD1 3.66Å
61N87.7Confident90.5Very high55 Ų5551.1 Ų51.129%0.29425%0.247SC..Hα-helixtrans-66-42.4175.1-175.269.3000112.1P57 K58 A59 V63 R64 L65P57-N61 WeakPolarHBondContact O-CB 3.43Å; P57-N61 PolarHBondContact O-N 2.89Å; K58-N61 PolarHBondContact O-N 3.19Å; A59-N61 VanDerWaalsContact C-N 3.31Å; A59-N61 PolarHBondContact O-N 2.8Å; N61-V63 PolarHBondContact O-N 3.25Å; N61-R64 PolarHBondContact O-N 2.98Å; N61-R64 PolarHBondContact OD1-NH2 3.45Å; N61-L65 WeakPolarHBondContact ND2-CD1 3.44Å; N61-L65 VanDerWaalsContact O-CG 3.32Å; N61-L65 WeakPolarHBondContact O-CG 3.43Å; N61-L65 PolarHBondContact O-N 3.49Å
62E89.6Confident90.6Very high13 Ų1352.3 Ų52.36%0.06125%0.253CS..Hα-helixtrans-54-50.9172.8166.7-179.6169.700111.6K51 L53 K58 A59 R64 L65 H66 F170 G171K51-E62 WeakPolarHBondContact CE-OE1 3.33Å; K51-E62 IonicContact NZ-OE1 3.61Å; K51-E62 PolarHBondContact NZ-OE1 2.96Å; L53-E62 HydrophobicContact CD1-CG 4.49Å; K58-E62 PolarHBondContact O-N 2.55Å; A59-E62 WeakPolarHBondContact O-CB 3.35Å; A59-E62 PolarHBondContact O-N 2.82Å; E62-R64 VanDerWaalsContact C-N 3.34Å; E62-R64 PolarHBondContact O-N 2.69Å; E62-L65 PolarHBondContact O-N 3.03Å; E62-H66 WeakPolarHBondContact O-CB 3.09Å; E62-H66 PolarHBondContact O-N 3.27Å; E62-F170 HydrophobicContact CG-CB 4.3Å; E62-G171 VanDerWaalsContact OE2-CA 3.25Å; E62-G171 WeakPolarHBondContact OE2-CA 3.32Å
63V91.9Very high90.8Very high8 Ų856.3 Ų56.35%0.04828%0.279CS..Hα-helixtrans-58.3-47.3177.5172.40000111.1A59 R60 N61 L65 H66 M67 V81 L98 I100A59-V63 WeakPolarHBondContact O-CG2 3.15Å; A59-V63 PolarHBondContact O-N 3.45Å; R60-V63 PolarHBondContact O-N 2.83Å; N61-V63 PolarHBondContact O-N 3.25Å; V63-L65 PolarHBondContact O-N 3.3Å; V63-H66 PolarHBondContact O-N 2.68Å; V63-M67 HydrophobicContact CG1-CG 4.24Å; V63-M67 WeakPolarHBondContact O-CB 3.47Å; V63-M67 VanDerWaalsContact O-CG 3.27Å; V63-M67 WeakPolarHBondContact O-CG 3.4Å; V63-M67 PolarHBondContact O-N 2.87Å; V63-V81 HydrophobicContact CG1-CG1 4.17Å; V63-V81 HydrophobicContact CG1-CG2 3.79Å; V63-L98 HydrophobicContact CG2-CD1 4.25Å; V63-I100 HydrophobicContact CG2-CD1 3.5Å; V63-I100 VanDerWaalsContact CG2-CD1 3.5Å; V63-I100 HydrophobicContact CG2-CG1 3.79Å
64R91.6Very high91.1Very high79 Ų7956.5 Ų56.530%0.29828%0.28SS..Hα-helixtrans-58.7-47.5-179.9-177.1-178.271.182.21.2111.8A7 R60 N61 E62 M67 M68A7-R64 HydrophobicContact CB-CB 4.03Å; A7-R64 HydrophobicContact CB-CG 3.87Å; R60-R64 WeakPolarHBondContact O-CB 3.27Å; R60-R64 PolarHBondContact O-N 3.05Å; N61-R64 PolarHBondContact O-N 2.98Å; N61-R64 PolarHBondContact OD1-NH2 3.45Å; E62-R64 VanDerWaalsContact C-N 3.34Å; E62-R64 PolarHBondContact O-N 2.69Å; R64-M67 PolarHBondContact O-N 3.36Å; R64-M68 HydrophobicContact CG-SD 4.49Å; R64-M68 VanDerWaalsContact O-CG 3.31Å; R64-M68 WeakPolarHBondContact O-CG 3.31Å; R64-M68 PolarHBondContact O-N 2.85Å; R64-M68 VanDerWaalsContact O-N 3.09Å
65L90.5Very high91.4Very high0 Ų053.3 Ų53.30%026%0.263CS..Hα-helixtrans-67.5-39.2-179.2-64.4-176.8000112.1N61 E62 V63 M68 C69 I144 F170 A173 I175N61-L65 WeakPolarHBondContact ND2-CD1 3.44Å; N61-L65 VanDerWaalsContact O-CG 3.32Å; N61-L65 WeakPolarHBondContact O-CG 3.43Å; N61-L65 PolarHBondContact O-N 3.49Å; E62-L65 PolarHBondContact O-N 3.03Å; V63-L65 PolarHBondContact O-N 3.3Å; L65-M68 HydrophobicContact CD2-SD 4.25Å; L65-M68 PolarHBondContact O-N 3.35Å; L65-C69 PolarHBondContact O-N 3.09Å; L65-I144 HydrophobicContact CD2-CD1 4.01Å; L65-I144 HydrophobicContact CD2-CG1 4.21Å; L65-F170 HydrophobicContact CB-CD1 4.44Å; L65-A173 HydrophobicContact CB-CB 4.42Å; L65-A173 HydrophobicContact CD1-CB 3.93Å; L65-A173 WeakPolarHBondContact CD1-O 3.24Å; L65-I175 HydrophobicContact CD2-CD1 3.73Å; L65-I175 HydrophobicContact CD2-CG1 3.4Å
66H93.3Very high91.6Very high6 Ų651.8 Ų51.83%0.02826%0.256CS..Hα-helixtrans-63.5-47.7175.4-164.6166.3000110.6E62 V63 M68 C69 A70 V76 I78 F170E62-H66 WeakPolarHBondContact O-CB 3.09Å; E62-H66 PolarHBondContact O-N 3.27Å; V63-H66 PolarHBondContact O-N 2.68Å; H66-M68 VanDerWaalsContact C-N 3.28Å; H66-M68 PolarHBondContact O-N 3.24Å; H66-C69 CarbonylContact O-C 3.59Å; H66-C69 PolarHBondContact O-N 3.39Å; H66-A70 WeakPolarHBondContact O-CB 3.4Å; H66-A70 PolarHBondContact O-N 3.43Å; H66-V76 PolarHBondContact NE2-O 3.41Å; H66-I78 HydrophobicContact CB-CD1 3.61Å; H66-I78 VanDerWaalsContact CG-CD1 3.47Å; H66-F170 HydrophobicContact CB-CB 3.92Å; H66-F170 HydrophobicContact CB-CD1 4.32Å; H66-F170 HydrophobicContact CB-CD2 3.81Å; H66-F170 HydrophobicContact CB-CE2 4.45Å; H66-F170 HydrophobicContact CB-CG 3.75Å; H66-F170 AromaticContact CD2-CD2 3.67Å; H66-F170 AromaticContact CD2-CE2 3.6Å; H66-F170 AromaticContact CG-CD2 3.41Å; H66-F170 VanDerWaalsContact CG-CD2 3.41Å; H66-F170 AromaticContact CG-CE2 3.86Å; H66-F170 AromaticContact CG-CG 3.91Å; H66-F170 AromaticContact ND1-CD2 3.65Å; H66-F170 AromaticContact NE2-CE2 3.92Å
67M91.6Very high91.8Very high57 Ų5748.2 Ų48.228%0.28125%0.246SC..Hα-helixtrans-56.4-39.3176.8-76.1-67.8-66.400112.9V63 R64 C69 A70 I78V63-M67 HydrophobicContact CG1-CG 4.24Å; V63-M67 WeakPolarHBondContact O-CB 3.47Å; V63-M67 VanDerWaalsContact O-CG 3.27Å; V63-M67 WeakPolarHBondContact O-CG 3.4Å; V63-M67 PolarHBondContact O-N 2.87Å; R64-M67 PolarHBondContact O-N 3.36Å; M67-C69 PolarHBondContact O-N 3.21Å; M67-A70 PolarHBondContact O-N 3Å; M67-I78 HydrophobicContact CG-CD1 4.01Å; M67-I78 HydrophobicContact CG-CG2 4.47Å; M67-I78 HydrophobicContact SD-CB 3.5Å; M67-I78 WeakPolarHBondContact SD-CB 3.42Å; M67-I78 HydrophobicContact SD-CD1 4.08Å; M67-I78 HydrophobicContact SD-CG1 4.36Å; M67-I78 HydrophobicContact SD-CG2 3.41Å; M67-I78 WeakPolarHBondContact SD-CG2 3.44Å
68M90.8Very high92.1Very high79 Ų7943.4 Ų43.439%0.38921%0.214SC..Hα-helixtrans-61.1-30.4176.3-72.2174.468.300112.8R64 L65 H66 L142 I144R64-M68 HydrophobicContact CG-SD 4.49Å; R64-M68 VanDerWaalsContact O-CG 3.31Å; R64-M68 WeakPolarHBondContact O-CG 3.31Å; R64-M68 PolarHBondContact O-N 2.85Å; R64-M68 VanDerWaalsContact O-N 3.09Å; L65-M68 HydrophobicContact CD2-SD 4.25Å; L65-M68 PolarHBondContact O-N 3.35Å; H66-M68 VanDerWaalsContact C-N 3.28Å; H66-M68 PolarHBondContact O-N 3.24Å; M68-L142 WeakPolarHBondContact O-CD1 3.44Å; M68-I144 HydrophobicContact CB-CD1 4.05Å; M68-I144 HydrophobicContact CE-CD1 4.15Å; M68-I144 HydrophobicContact SD-CD1 4.29Å
69C91.7Very high92.5Very high0 Ų039.9 Ų39.90%020%0.201CC..Hα-helixtrans-99.9-12.4-178.5-60.80000114L65 H66 M67 N71 H72 I75 C139 I144 F170L65-C69 PolarHBondContact O-N 3.09Å; H66-C69 CarbonylContact O-C 3.59Å; H66-C69 PolarHBondContact O-N 3.39Å; M67-C69 PolarHBondContact O-N 3.21Å; C69-N71 PolarHBondContact O-N 3.42Å; C69-H72 PolarHBondContact O-N 3.38Å; C69-I75 HydrophobicContact CB-CD1 3.68Å; C69-I75 HydrophobicContact CB-CG2 4.43Å; C69-C139 VanDerWaalsContact SG-SG 3.66Å; C69-I144 VanDerWaalsContact SG-CD1 3.59Å; C69-F170 HydrophobicContact CB-CE1 3.96Å; C69-F170 HydrophobicContact CB-CZ 3.95Å
70A88.9Confident92.8Very high8 Ų841.2 Ų41.27%0.06621%0.206CC..THydrogen-bonded Turntrans-66.9-10.9-166.900000114.9H66 M67 H72H66-A70 WeakPolarHBondContact O-CB 3.4Å; H66-A70 PolarHBondContact O-N 3.43Å; M67-A70 PolarHBondContact O-N 3Å; A70-H72 VanDerWaalsContact C-N 3.25Å; A70-H72 PolarHBondContact O-N 3.37Å
71N87.2Confident93.1Very high146 Ų14637.6 Ų37.678%0.78119%0.193SC*.THydrogen-bonded Turntrans-78.2-6176.9-70.4-23.2000113.5C69C69-N71 PolarHBondContact O-N 3.42Å
72H96Very high93.5Very high35 Ų3535 Ų3516%0.16218%0.179CC..SBendtrans-86.1135.8179.7-169.9-86.5000111.8C69 A70 N74 I75 H138C69-H72 PolarHBondContact O-N 3.38Å; A70-H72 VanDerWaalsContact C-N 3.25Å; A70-H72 PolarHBondContact O-N 3.37Å; H72-N74 PolarHBondContact CE1-OD1 2.89Å; H72-N74 PolarHBondContact ND1-N 3.41Å; H72-N74 VanDerWaalsContact ND1-N 3.14Å; H72-N74 PolarHBondContact O-N 2.83Å; H72-N74 VanDerWaalsContact O-N 3.13Å; H72-I75 HydrophobicContact CB-CB 4.31Å; H72-I75 HydrophobicContact CB-CD1 3.94Å; H72-I75 HydrophobicContact CB-CG1 4.08Å; H72-I75 PolarHBondContact O-N 3.5Å; H72-H138 HydrophobicContact CB-CB 4.32Å; H72-H138 AromaticContact CD2-CG 3.72Å; H72-H138 AromaticContact CG-CG 3.96Å
73P96.5Very high93.8Very high86 Ų8635.4 Ų35.456%0.55818%0.184SC*.THydrogen-bonded Turntrans-60.3-29.2-175.422.8-35.1000114.3K166P73-K166 WeakPolarHBondContact O-CD 3.34Å; P73-K166 WeakPolarHBondContact O-CE 3.25Å; P73-K166 PolarHBondContact O-NZ 3.31Å
74N97.6Very high93.9Very high9 Ų936 Ų365%0.04819%0.187CC..THydrogen-bonded Turntrans-9520.4177.9-55.8105.9000114H72 Q131 A135 V165 K166 L167H72-N74 PolarHBondContact CE1-OD1 2.89Å; H72-N74 PolarHBondContact ND1-N 3.41Å; H72-N74 VanDerWaalsContact ND1-N 3.14Å; H72-N74 PolarHBondContact O-N 2.83Å; H72-N74 VanDerWaalsContact O-N 3.13Å; N74-Q131 WeakPolarHBondContact CB-O 3.29Å; N74-Q131 WeakPolarHBondContact ND2-CB 3.33Å; N74-Q131 PolarHBondContact ND2-OE1 2.88Å; N74-Q131 VanDerWaalsContact ND2-OE1 3.12Å; N74-A135 HydrophobicContact CB-CB 3.88Å; N74-A135 WeakPolarHBondContact O-CB 3.36Å; N74-V165 PolarHBondContact ND2-O 2.81Å; N74-K166 CarbonylContact O-C 3.54Å; N74-K166 VanDerWaalsContact O-CA 3.28Å; N74-K166 WeakPolarHBondContact O-CA 3.46Å; N74-L167 PolarHBondContact O-N 3.32Å
75I97.4Very high94Very high0 Ų037 Ų370%020%0.202CC..BIsolated β-bridgetrans-125137.3172.5-62.6179.9000107.5C69 H72 Q77 A135 L167 F170C69-I75 HydrophobicContact CB-CD1 3.68Å; C69-I75 HydrophobicContact CB-CG2 4.43Å; H72-I75 HydrophobicContact CB-CB 4.31Å; H72-I75 HydrophobicContact CB-CD1 3.94Å; H72-I75 HydrophobicContact CB-CG1 4.08Å; H72-I75 PolarHBondContact O-N 3.5Å; I75-Q77 PolarHBondContact O-N 3.01Å; I75-A135 HydrophobicContact CD1-CB 4.35Å; I75-A135 HydrophobicContact CG1-CB 3.85Å; I75-L167 HydrophobicContact CG1-CB 4.48Å; I75-F170 HydrophobicContact CD1-CZ 4.38Å; I75-F170 HydrophobicContact CG2-CE2 3.87Å; I75-F170 HydrophobicContact CG2-CZ 3.89Å
76V96.2Very high93.8Very high4 Ų438.4 Ų38.42%0.02421%0.211CC..PPolyproline II helixtrans-61.1128.7179.4170.30000109.6H66 M102 E103 M105 K166 L167 C168H66-V76 PolarHBondContact NE2-O 3.41Å; V76-M102 HydrophobicContact CG1-CB 4.08Å; V76-M102 HydrophobicContact CG1-SD 4.32Å; V76-E103 WeakPolarHBondContact CA-OE1 3.27Å; V76-E103 HydrophobicContact CG1-CG 3.93Å; V76-M105 HydrophobicContact CG2-CE 4.32Å; V76-M105 HydrophobicContact CG2-CG 4.02Å; V76-M105 HydrophobicContact CG2-SD 4.04Å; V76-K166 HydrophobicContact CG2-CB 3.9Å; V76-L167 PolarHBondContact N-O 3.13Å; V76-C168 HydrophobicContact CB-CB 4.1Å; V76-C168 HydrophobicContact CG2-CB 3.61Å
77Q95.5Very high93.3Very high86 Ų8643.4 Ų43.440%0.40223%0.234SC..PPolyproline II helixtrans-76.5130.1-179.6-167174.914.300111.3I75 L79 M102 E103I75-Q77 PolarHBondContact O-N 3.01Å; Q77-L79 HydrophobicContact CG-CD2 4.09Å; Q77-M102 VanDerWaalsContact O-CA 3.25Å; Q77-M102 WeakPolarHBondContact O-CA 3.42Å; Q77-M102 WeakPolarHBondContact O-CB 3.42Å; Q77-E103 HydrophobicContact CB-CB 4.44Å; Q77-E103 HydrophobicContact CB-CG 4.17Å; Q77-E103 PolarHBondContact N-OE1 3.02Å; Q77-E103 PolarHBondContact O-N 3.06Å
78I94.7Very high92.8Very high11 Ų1142.3 Ų42.36%0.05623%0.228CC..EExtended strand (participates in β ladder)trans-86.3126161.2-64.8175.1000107.3H66 M67 V81 I100 M102H66-I78 HydrophobicContact CB-CD1 3.61Å; H66-I78 VanDerWaalsContact CG-CD1 3.47Å; M67-I78 HydrophobicContact CG-CD1 4.01Å; M67-I78 HydrophobicContact CG-CG2 4.47Å; M67-I78 HydrophobicContact SD-CB 3.5Å; M67-I78 WeakPolarHBondContact SD-CB 3.42Å; M67-I78 HydrophobicContact SD-CD1 4.08Å; M67-I78 HydrophobicContact SD-CG1 4.36Å; M67-I78 HydrophobicContact SD-CG2 3.41Å; M67-I78 WeakPolarHBondContact SD-CG2 3.44Å; I78-V81 HydrophobicContact CG2-CG2 3.7Å; I78-I100 HydrophobicContact CB-CG2 4.49Å; I78-I100 HydrophobicContact CD1-CG2 3.88Å; I78-I100 HydrophobicContact CG1-CG2 3.85Å; I78-I100 HydrophobicContact CG2-CG2 3.91Å; I78-M102 HydrophobicContact CG1-CG 4.18Å
79L94.7Very high92Very high65 Ų6544.1 Ų44.134%0.3425%0.246SC..EExtended strand (participates in β ladder)trans-90.6-52.4177.9-60.3177000110.2L48 Q77 V101L48-L79 HydrophobicContact CD1-CD1 3.92Å; L48-L79 HydrophobicContact CD2-CD1 3.47Å; L48-L79 VanDerWaalsContact CD2-CD1 3.47Å; L48-L79 HydrophobicContact CG-CD1 4.3Å; Q77-L79 HydrophobicContact CG-CD2 4.09Å; L79-V101 HydrophobicContact CB-CG1 4.4Å; L79-V101 HydrophobicContact CD1-CG1 4.44Å; L79-V101 PolarHBondContact N-O 3.14Å
80E95.3Very high91.3Very high39 Ų3953 Ų5318%0.18229%0.287CS..EExtended strand (participates in β ladder)trans-149.5152.6-174.5-62.2-176.5133.800110.7K12 Y20 Y82 V101K12-E80 WeakPolarHBondContact CE-OE1 3.05Å; K12-E80 IonicContact NZ-OE1 2.69Å; K12-E80 PolarHBondContact NZ-OE1 3.46Å; K12-E80 IonicContact NZ-OE2 3.01Å; Y20-E80 WeakPolarHBondContact CE2-OE2 3.45Å; Y20-E80 VanDerWaalsContact CZ-OE2 3.23Å; Y20-E80 PolarHBondContact OH-OE2 3.36Å; E80-Y82 HydrophobicContact CB-CE2 3.82Å; E80-Y82 PolarHBondContact OE2-OH 3.47Å; E80-V101 HydrophobicContact CB-CB 4.34Å; E80-V101 PolarHBondContact N-O 3.26Å; E80-V101 PolarHBondContact O-N 3.11Å
81V95.9Very high91Very high4 Ų454.2 Ų54.22%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-130.4132.5178-172.60000109I11 K12 V63 I78 L99 I100I11-V81 WeakPolarHBondContact CA-O 3.38Å; I11-V81 HydrophobicContact CG1-CB 4.36Å; I11-V81 HydrophobicContact CG1-CG1 4.08Å; I11-V81 HydrophobicContact CG2-CG1 4.47Å; K12-V81 PolarHBondContact N-O 3.09Å; V63-V81 HydrophobicContact CG1-CG1 4.17Å; V63-V81 HydrophobicContact CG1-CG2 3.79Å; I78-V81 HydrophobicContact CG2-CG2 3.7Å; V81-L99 CarbonylContact C-O 3.52Å; V81-L99 WeakPolarHBondContact CA-O 3.39Å; V81-I100 HydrophobicContact CG1-CG1 4.34Å; V81-I100 HydrophobicContact CG2-CG2 4.41Å
82Y96.5Very high91Very high0 Ų053.4 Ų53.40%030%0.296CS..EExtended strand (participates in β ladder)trans-119.7139.3176.8-59.9-105000110.7K12 A14 I16 E19 Y20 E80 L98 L99 V101K12-Y82 HydrophobicContact CB-CD1 3.57Å; K12-Y82 HydrophobicContact CB-CE1 3.78Å; K12-Y82 HydrophobicContact CB-CG 4.18Å; K12-Y82 HydrophobicContact CD-CD1 4.03Å; K12-Y82 HydrophobicContact CD-CE1 3.37Å; K12-Y82 HydrophobicContact CD-CE2 4.21Å; K12-Y82 VanDerWaalsContact CD-CZ 3.46Å; K12-Y82 WeakPolarHBondContact CD-OH 3.27Å; K12-Y82 HydrophobicContact CG-CD1 4.45Å; K12-Y82 HydrophobicContact CG-CE1 4.24Å; K12-Y82 PolarHBondContact NZ-OH 3.24Å; K12-Y82 CarbonylContact O-C 3.49Å; K12-Y82 VanDerWaalsContact O-CA 3.25Å; K12-Y82 WeakPolarHBondContact O-CA 2.98Å; A14-Y82 WeakPolarHBondContact O-CD1 3.43Å; I16-Y82 HydrophobicContact CB-CD1 4.04Å; I16-Y82 HydrophobicContact CB-CD2 4.15Å; I16-Y82 HydrophobicContact CB-CE1 4.43Å; I16-Y82 HydrophobicContact CB-CG 3.89Å; I16-Y82 HydrophobicContact CD1-CD2 3.8Å; I16-Y82 HydrophobicContact CD1-CE2 4.24Å; I16-Y82 HydrophobicContact CD1-CG 4.31Å; I16-Y82 HydrophobicContact CG1-CD1 4.48Å; I16-Y82 HydrophobicContact CG1-CD2 3.83Å; I16-Y82 HydrophobicContact CG1-CE2 3.99Å; I16-Y82 HydrophobicContact CG1-CG 4.12Å; E19-Y82 PolarHBondContact OE1-OH 3.4Å; E19-Y82 PolarHBondContact OE2-OH 3Å; Y20-Y82 HydrophobicContact CD2-CE2 4.32Å; Y20-Y82 AromaticContact CE2-CE2 3.98Å; Y20-Y82 HydrophobicContact CE2-CE2 3.98Å; Y20-Y82 WeakPolarHBondContact CE2-OH 3.49Å; E80-Y82 HydrophobicContact CB-CE2 3.82Å; E80-Y82 PolarHBondContact OE2-OH 3.47Å; Y82-L98 CarbonylContact O-C 3.54Å; Y82-L98 WeakPolarHBondContact O-CA 3.22Å; Y82-L99 PolarHBondContact N-O 2.84Å; Y82-L99 PolarHBondContact O-N 2.99Å; Y82-V101 HydrophobicContact CD2-CG2 4.33Å; Y82-V101 HydrophobicContact CE2-CG2 4.12Å
83A95.9Very high90.6Very high22 Ų2254.7 Ų54.718%0.18231%0.31CS..EExtended strand (participates in β ladder)trans-104.2102.8166.900000108.4I11 K12 R97 L98I11-A83 HydrophobicContact CG2-CB 3.48Å; I11-A83 VanDerWaalsContact CG2-CB 3.48Å; K12-A83 PolarHBondContact O-N 3.31Å; A83-R97 WeakPolarHBondContact CA-O 3.32Å; A83-L98 HydrophobicContact CB-CD2 4.15Å
84N94.5Very high90.3Very high20 Ų2053.9 Ų53.911%0.10731%0.305CS..EExtended strand (participates in β ladder)trans-130.1156.8-179.2-65164.4000110.8E13 A14 I16 V86 R97 L99E13-N84 PolarHBondContact O-ND2 2.66Å; A14-N84 PolarHBondContact O-ND2 3.37Å; A14-N84 PolarHBondContact O-OD1 3.12Å; I16-N84 PolarHBondContact N-OD1 3.49Å; N84-V86 HydrophobicContact CB-CG2 4.33Å; N84-R97 PolarHBondContact N-O 2.69Å; N84-R97 PolarHBondContact O-N 2.75Å; N84-L99 HydrophobicContact CB-CD1 3.91Å
85T93.7Very high90.1Very high100 Ų10059 Ų5961%0.61332%0.323SS*.EExtended strand (participates in β ladder)trans-93.3114.3172.8-65.30000109.3P94 R95T85-P94 HydrophobicContact CG2-CB 3.38Å; T85-R95 WeakPolarHBondContact CA-O 3.21Å
86V85.6Confident89.9Confident30 Ų3061.3 Ų61.318%0.18234%0.342CS..EExtended strand (participates in β ladder)trans-128.9133.5-177.3-1740000110.2W24 N84 F88 R95 R97 L99W24-V86 HydrophobicContact CH2-CG1 4.06Å; N84-V86 HydrophobicContact CB-CG2 4.33Å; V86-F88 HydrophobicContact CG1-CE2 4.35Å; V86-R95 PolarHBondContact N-O 3.34Å; V86-R95 PolarHBondContact O-N 3.38Å; V86-R97 PolarHBondContact O-NE 3.01Å; V86-L99 HydrophobicContact CG2-CD1 4.25Å
87Q84.2Confident89.8Confident110 Ų11061.8 Ų61.851%0.51434%0.344SS..  trans-97.1126.4172.3-172.41765.300110.4E91 P94Q87-E91 PolarHBondContact NE2-O 3.21Å; Q87-P94 HydrophobicContact CB-CB 4.13Å; Q87-P94 HydrophobicContact CB-CG 4.09Å
88F79.7Confident89.7Confident34 Ų3457.7 Ų57.715%0.14932%0.324CS..  trans-89.8156.6171-81.4-96.4000111.4W24 I52 V86 H90 E91 R97W24-F88 HydrophobicContact CE3-CE1 4.06Å; W24-F88 HydrophobicContact CE3-CZ 4.38Å; W24-F88 AromaticContact CZ3-CE1 3.83Å; W24-F88 HydrophobicContact CZ3-CE1 3.83Å; W24-F88 AromaticContact CZ3-CZ 3.68Å; W24-F88 HydrophobicContact CZ3-CZ 3.68Å; I52-F88 HydrophobicContact CD1-CZ 3.79Å; I52-F88 HydrophobicContact CG2-CE2 4.05Å; I52-F88 HydrophobicContact CG2-CZ 3.98Å; V86-F88 HydrophobicContact CG1-CE2 4.35Å; F88-H90 PolarHBondContact O-N 2.97Å; F88-E91 HydrophobicContact CB-CG 4.23Å; F88-E91 PolarHBondContact N-OE2 2.93Å; F88-E91 PolarHBondContact O-N 3.33Å; F88-R97 VanDerWaalsContact CD2-NH2 3.29Å; F88-R97 VanDerWaalsContact CE2-NE 3.3Å
89P74.2Confident89.7Confident118 Ų11857.1 Ų57.177%0.76632%0.322SS*.THydrogen-bonded Turntrans-54.9-20.8-176.1-28.535.4000116
90H76.5Confident89.8Confident186 Ų18654.2 Ų54.286%0.86131%0.306SS*.THydrogen-bonded Turntrans-107.212.6-178.2-54.2-58.1000113.4F88F88-H90 PolarHBondContact O-N 2.97Å
91E83.3Confident89.8Confident34 Ų3452.4 Ų52.416%0.15930%0.298CS..  trans-111.2133.4-179.7-67.2-174.9147.600112Q87 F88 S93 R95 R97Q87-E91 PolarHBondContact NE2-O 3.21Å; F88-E91 HydrophobicContact CB-CG 4.23Å; F88-E91 PolarHBondContact N-OE2 2.93Å; F88-E91 PolarHBondContact O-N 3.33Å; E91-S93 PolarHBondContact O-N 3.42Å; E91-R95 WeakPolarHBondContact OE1-CD 3.48Å; E91-R95 IonicContact OE1-CZ 2.59Å; E91-R95 IonicContact OE1-NE 3.75Å; E91-R95 IonicContact OE1-NH1 2.8Å; E91-R95 PolarHBondContact OE1-NH1 2.99Å; E91-R97 IonicContact OE1-CZ 3.86Å; E91-R97 IonicContact OE1-NH2 3.1Å; E91-R97 PolarHBondContact OE1-NH2 3.37Å; E91-R97 IonicContact OE2-CZ 2.73Å; E91-R97 IonicContact OE2-NH2 2.96Å; E91-R97 PolarHBondContact OE2-NH2 3.38Å
92S86.3Confident89.8Confident128 Ų12853.1 Ų53.190%0.89530%0.301SS*.SBendtrans-68.4-22.4179.9-45.80000113.6
93S88.8Confident89.7Confident63 Ų6353.8 Ų53.844%0.44130%0.304SS..SBendtrans-146.8152.6179.359.40000111.6E91E91-S93 PolarHBondContact O-N 3.42Å
94P90.1Very high89.7Confident69 Ų6953.7 Ų53.745%0.44830%0.3SS..  trans-58.9145.5170.8-18.929.8000111.5T85 Q87T85-P94 HydrophobicContact CG2-CB 3.38Å; Q87-P94 HydrophobicContact CB-CB 4.13Å; Q87-P94 HydrophobicContact CB-CG 4.09Å
95R92.2Very high89.7Confident116 Ų11654 Ų5444%0.43830%0.301SS..EExtended strand (participates in β ladder)trans-126.5145.9178.1-66.6-177.5174.5165.9-8.9110.9T85 V86 E91T85-R95 WeakPolarHBondContact CA-O 3.21Å; V86-R95 PolarHBondContact N-O 3.34Å; V86-R95 PolarHBondContact O-N 3.38Å; E91-R95 WeakPolarHBondContact OE1-CD 3.48Å; E91-R95 IonicContact OE1-CZ 2.59Å; E91-R95 IonicContact OE1-NE 3.75Å; E91-R95 IonicContact OE1-NH1 2.8Å; E91-R95 PolarHBondContact OE1-NH1 2.99Å
96A94.1Very high89.7Confident49 Ų4953.7 Ų53.741%0.40529%0.293SS..EExtended strand (participates in β ladder)trans-65.2130.8169.700000110.1D55D55-A96 HydrophobicContact CB-CB 4.02Å; D55-A96 PolarHBondContact N-O 3.14Å
97R93.6Very high89.9Confident13 Ų1352.4 Ų52.45%0.04929%0.286CS..EExtended strand (participates in β ladder)trans-138.3145.8-174.7-66.8179.9-171.4-82.2-4.2111.7I52 L53 A83 N84 V86 F88 E91 L99I52-R97 HydrophobicContact CG2-CB 4.49Å; L53-R97 CarbonylContact O-C 3.58Å; L53-R97 WeakPolarHBondContact O-CA 3.21Å; L53-R97 VanDerWaalsContact O-CB 3.29Å; L53-R97 WeakPolarHBondContact O-CB 3.31Å; A83-R97 WeakPolarHBondContact CA-O 3.32Å; N84-R97 PolarHBondContact N-O 2.69Å; N84-R97 PolarHBondContact O-N 2.75Å; V86-R97 PolarHBondContact O-NE 3.01Å; F88-R97 VanDerWaalsContact CD2-NH2 3.29Å; F88-R97 VanDerWaalsContact CE2-NE 3.3Å; E91-R97 IonicContact OE1-CZ 3.86Å; E91-R97 IonicContact OE1-NH2 3.1Å; E91-R97 PolarHBondContact OE1-NH2 3.37Å; E91-R97 IonicContact OE2-CZ 2.73Å; E91-R97 IonicContact OE2-NH2 2.96Å; E91-R97 PolarHBondContact OE2-NH2 3.38Å; R97-L99 HydrophobicContact CB-CD2 4.36Å
98L94.6Very high90.2Very high0 Ų048.4 Ų48.40%027%0.274CS..EExtended strand (participates in β ladder)trans-93.1125.9164.7-59.4174.5000108.6I11 L53 D55 A59 R60 V63 Y82 A83I11-L98 HydrophobicContact CD1-CD2 4.4Å; L53-L98 HydrophobicContact CB-CB 4.37Å; L53-L98 PolarHBondContact N-O 2.98Å; L53-L98 PolarHBondContact O-N 2.7Å; D55-L98 HydrophobicContact CB-CD2 4.38Å; D55-L98 HydrophobicContact CB-CG 4.05Å; A59-L98 HydrophobicContact CB-CD1 3.91Å; R60-L98 HydrophobicContact CB-CD1 4.41Å; R60-L98 HydrophobicContact CG-CD1 3.66Å; V63-L98 HydrophobicContact CG2-CD1 4.25Å; Y82-L98 CarbonylContact O-C 3.54Å; Y82-L98 WeakPolarHBondContact O-CA 3.22Å; A83-L98 HydrophobicContact CB-CD2 4.15Å
99L95.1Very high90.8Very high0 Ų050 Ų500%028%0.282CS..EExtended strand (participates in β ladder)trans-114.8104.5-177.2-60.6178.9000107.4I16 L50 I52 V81 Y82 N84 V86 R97I16-L99 HydrophobicContact CB-CD1 4.07Å; I16-L99 HydrophobicContact CD1-CB 3.88Å; I16-L99 HydrophobicContact CD1-CD1 4.14Å; I16-L99 HydrophobicContact CG2-CD1 3.55Å; L50-L99 HydrophobicContact CD1-CB 3.97Å; I52-L99 HydrophobicContact CB-CD2 4.21Å; I52-L99 HydrophobicContact CD1-CD2 4.31Å; I52-L99 HydrophobicContact CG1-CD2 3.82Å; I52-L99 HydrophobicContact CG2-CD2 3.78Å; V81-L99 CarbonylContact C-O 3.52Å; V81-L99 WeakPolarHBondContact CA-O 3.39Å; Y82-L99 PolarHBondContact N-O 2.84Å; Y82-L99 PolarHBondContact O-N 2.99Å; N84-L99 HydrophobicContact CB-CD1 3.91Å; V86-L99 HydrophobicContact CG2-CD1 4.25Å; R97-L99 HydrophobicContact CB-CD2 4.36Å
100I94.9Very high91.6Very high4 Ų444.4 Ų44.42%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-105.1107.2-169.2-51.5157000107.5L50 K51 L53 V63 I78 V81 M102L50-I100 WeakPolarHBondContact CA-O 3.31Å; K51-I100 HydrophobicContact CB-CB 4.28Å; K51-I100 HydrophobicContact CB-CD1 4.45Å; K51-I100 HydrophobicContact CD-CD1 4.29Å; K51-I100 HydrophobicContact CG-CD1 4.42Å; K51-I100 PolarHBondContact N-O 3.02Å; K51-I100 PolarHBondContact O-N 3.05Å; L53-I100 HydrophobicContact CD1-CD1 3.6Å; L53-I100 HydrophobicContact CG-CD1 3.97Å; V63-I100 HydrophobicContact CG2-CD1 3.5Å; V63-I100 VanDerWaalsContact CG2-CD1 3.5Å; V63-I100 HydrophobicContact CG2-CG1 3.79Å; I78-I100 HydrophobicContact CB-CG2 4.49Å; I78-I100 HydrophobicContact CD1-CG2 3.88Å; I78-I100 HydrophobicContact CG1-CG2 3.85Å; I78-I100 HydrophobicContact CG2-CG2 3.91Å; V81-I100 HydrophobicContact CG1-CG1 4.34Å; V81-I100 HydrophobicContact CG2-CG2 4.41Å; I100-M102 HydrophobicContact CG2-CG 3.85Å; I100-M102 HydrophobicContact CG2-SD 4.25Å
101V96.3Very high92.2Very high0 Ų035.5 Ų35.50%020%0.204CC..EExtended strand (participates in β ladder)trans-82.9122.4175.4-1760000108.2I16 Y20 L48 L50 L79 E80 Y82I16-V101 HydrophobicContact CD1-CG2 3.94Å; Y20-V101 HydrophobicContact CE1-CG1 3.91Å; Y20-V101 HydrophobicContact CE2-CG2 4.28Å; L48-V101 HydrophobicContact CB-CG1 4.2Å; L48-V101 HydrophobicContact CD1-CG1 3.88Å; L50-V101 HydrophobicContact CD1-CG2 4.23Å; L79-V101 HydrophobicContact CB-CG1 4.4Å; L79-V101 HydrophobicContact CD1-CG1 4.44Å; L79-V101 PolarHBondContact N-O 3.14Å; E80-V101 HydrophobicContact CB-CB 4.34Å; E80-V101 PolarHBondContact N-O 3.26Å; E80-V101 PolarHBondContact O-N 3.11Å; Y82-V101 HydrophobicContact CD2-CG2 4.33Å; Y82-V101 HydrophobicContact CE2-CG2 4.12Å
102M95.7Very high92.4Very high19 Ų1937.1 Ų37.19%0.09421%0.212CC..EExtended strand (participates in β ladder)trans-127.4159.6-176.1-58.1178-60.100110.1A49 K51 V76 Q77 I78 I100A49-M102 HydrophobicContact CB-CB 4.41Å; A49-M102 HydrophobicContact CB-CE 4.31Å; A49-M102 PolarHBondContact N-O 2.88Å; A49-M102 PolarHBondContact O-N 2.88Å; K51-M102 HydrophobicContact CB-CE 3.62Å; K51-M102 HydrophobicContact CB-SD 4.45Å; K51-M102 HydrophobicContact CD-CE 4.47Å; V76-M102 HydrophobicContact CG1-CB 4.08Å; V76-M102 HydrophobicContact CG1-SD 4.32Å; Q77-M102 VanDerWaalsContact O-CA 3.25Å; Q77-M102 WeakPolarHBondContact O-CA 3.42Å; Q77-M102 WeakPolarHBondContact O-CB 3.42Å; I78-M102 HydrophobicContact CG1-CG 4.18Å; I100-M102 HydrophobicContact CG2-CG 3.85Å; I100-M102 HydrophobicContact CG2-SD 4.25Å
103E95.3Very high92.5Very high14 Ų1432 Ų327%0.06517%0.173CC..  trans-57.2145.5169.568.7174.413400111.5V76 Q77 M105 K157 K166V76-E103 WeakPolarHBondContact CA-OE1 3.27Å; V76-E103 HydrophobicContact CG1-CG 3.93Å; Q77-E103 HydrophobicContact CB-CB 4.44Å; Q77-E103 HydrophobicContact CB-CG 4.17Å; Q77-E103 PolarHBondContact N-OE1 3.02Å; Q77-E103 PolarHBondContact O-N 3.06Å; E103-M105 HydrophobicContact CG-SD 4.1Å; E103-K157 WeakPolarHBondContact OE2-CE 3.48Å; E103-K157 IonicContact OE2-NZ 2.71Å; E103-K157 PolarHBondContact OE2-NZ 3.33Å; E103-K166 WeakPolarHBondContact OE1-CD 3.47Å; E103-K166 IonicContact OE1-NZ 3.77Å; E103-K166 PolarHBondContact OE1-NZ 2.8Å; E103-K166 IonicContact OE2-NZ 3.57Å; E103-K166 PolarHBondContact OE2-NZ 3.23Å
104M94.8Very high92.5Very high21 Ų2129 Ų2910%0.10315%0.152CC..  trans-74.9138.2176.1-170.269.5-164.800110.7L28 R47 A49 E106 K157L28-M104 HydrophobicContact CD1-CE 3.71Å; L28-M104 HydrophobicContact CD1-SD 3.73Å; L28-M104 HydrophobicContact CD2-CE 3.78Å; L28-M104 HydrophobicContact CG-CE 4.39Å; R47-M104 WeakPolarHBondContact O-CB 3.29Å; A49-M104 HydrophobicContact CB-SD 4.36Å; M104-E106 HydrophobicContact CE-CG 4.03Å; M104-E106 HydrophobicContact CG-CG 3.53Å; M104-K157 PolarHBondContact O-NZ 3.35Å
105M94.9Very high92.2Very high25 Ų2526.7 Ų26.712%0.12314%0.137CC..  trans-118.1100.5176.1-57.7-58.3-68.800108.8V76 E103 L155 F156 K157 K166V76-M105 HydrophobicContact CG2-CE 4.32Å; V76-M105 HydrophobicContact CG2-CG 4.02Å; V76-M105 HydrophobicContact CG2-SD 4.04Å; E103-M105 HydrophobicContact CG-SD 4.1Å; M105-L155 HydrophobicContact CB-CB 3.98Å; M105-L155 HydrophobicContact CB-CD1 3.95Å; M105-L155 HydrophobicContact CE-CB 3.88Å; M105-L155 WeakPolarHBondContact CE-O 3.17Å; M105-L155 HydrophobicContact CG-CB 4.23Å; M105-L155 HydrophobicContact CG-CD1 4.12Å; M105-F156 VanDerWaalsContact CE-C 3.49Å; M105-K157 HydrophobicContact CE-CB 4.27Å; M105-K157 HydrophobicContact SD-CD 3.91Å; M105-K166 HydrophobicContact CE-CB 3.74Å; M105-K166 HydrophobicContact CE-CD 3.91Å; M105-K166 HydrophobicContact CE-CG 3.78Å; M105-K166 HydrophobicContact SD-CD 4.13Å
106E92.5Very high91.8Very high95 Ų9526 Ų2644%0.44414%0.139SC..  trans-101.5-8.5-171.6-59.4-168.2123.800113.7R47 M104 G108 K157 N159R47-E106 IonicContact CZ-OE1 3.78Å; R47-E106 IonicContact NH1-OE1 3.91Å; R47-E106 PolarHBondContact NH1-OE1 3.2Å; R47-E106 IonicContact NH2-OE1 2.76Å; M104-E106 HydrophobicContact CE-CG 4.03Å; M104-E106 HydrophobicContact CG-CG 3.53Å; E106-G108 VanDerWaalsContact C-N 3.28Å; E106-G108 PolarHBondContact O-N 3.18Å; E106-K157 PolarHBondContact N-O 3.33Å; E106-N159 PolarHBondContact O-ND2 3.33Å
107G90.8Very high91.2Very high3 Ų325.8 Ų25.83%0.03113%0.13CC..SBendtrans-79.7-7.4-179.900000114.5R113 F156 D158G107-R113 WeakPolarHBondContact O-CD 3.44Å; G107-F156 WeakPolarHBondContact CA-O 3.21Å; G107-F156 PolarHBondContact N-O 3.02Å; G107-D158 VanDerWaalsContact CA-C 3.41Å; G107-D158 WeakPolarHBondContact CA-O 3.4Å
108G90.8Very high90.2Very high25 Ų2532.6 Ų32.626%0.25816%0.16SC..EExtended strand (participates in β ladder)trans75.3-174.9179.700000114.2E106 L155 F156E106-G108 VanDerWaalsContact C-N 3.28Å; E106-G108 PolarHBondContact O-N 3.18Å; G108-L155 WeakPolarHBondContact O-CA 3.35Å; G108-F156 PolarHBondContact O-N 3.23Å
109E91.6Very high89.7Confident68 Ų6839.3 Ų39.332%0.31819%0.19SC..EExtended strand (participates in β ladder)trans-74.3151-178.2-63.1171-16500112.3F111 H112 R113 L155 Q330E109-F111 PolarHBondContact O-N 3.42Å; E109-H112 HydrophobicContact CB-CB 4.33Å; E109-H112 WeakPolarHBondContact O-CB 3.45Å; E109-H112 PolarHBondContact O-N 3.18Å; E109-H112 VanDerWaalsContact O-N 3.13Å; E109-R113 PolarHBondContact O-N 3.41Å; E109-L155 HydrophobicContact CB-CD2 4.35Å; E109-L155 HydrophobicContact CG-CD2 3.71Å; E109-Q330 PolarHBondContact OE2-NE2 2.83Å
110L91.8Very high89.4Confident0 Ų039.6 Ų39.60%019%0.192CC..Hα-helixtrans-47.8-55.3-176.2173.658000114.1R113 I114 V128 I132 L154 F156 I230 M234L110-R113 WeakPolarHBondContact O-CB 3.41Å; L110-R113 PolarHBondContact O-N 3.07Å; L110-I114 HydrophobicContact CD1-CD1 4.03Å; L110-I114 HydrophobicContact CD1-CG1 4.47Å; L110-I114 HydrophobicContact CG-CD1 4.37Å; L110-I114 WeakPolarHBondContact O-CG1 3.08Å; L110-I114 PolarHBondContact O-N 2.92Å; L110-V128 HydrophobicContact CD1-CG1 3.69Å; L110-V128 HydrophobicContact CD2-CG1 4.45Å; L110-I132 HydrophobicContact CD2-CD1 4.35Å; L110-L154 HydrophobicContact CB-CB 4.05Å; L110-L154 HydrophobicContact CD2-CB 4.38Å; L110-L154 HydrophobicContact CD2-CD1 3.77Å; L110-L154 PolarHBondContact N-O 2.94Å; L110-F156 HydrophobicContact CD1-CE2 3.76Å; L110-F156 HydrophobicContact CD1-CZ 4.02Å; L110-I230 HydrophobicContact CD2-CG2 3.79Å; L110-M234 HydrophobicContact CD1-SD 4.1Å; L110-M234 HydrophobicContact CD2-CG 4.37Å; L110-M234 HydrophobicContact CD2-SD 3.87Å; L110-M234 HydrophobicContact CG-SD 4.39Å
111F89.1Confident89.3Confident0 Ų040 Ų400%019%0.194CC..Hα-helixtrans-74.1-29.1-176.8-65.6-18.4000113.1E109 R113 I114 S115 P151 I230 I233 M234 M320 V326 I329E109-F111 PolarHBondContact O-N 3.42Å; F111-R113 VanDerWaalsContact C-N 3.29Å; F111-I114 HydrophobicContact CD1-CD1 4.15Å; F111-I114 PolarHBondContact O-N 3.37Å; F111-S115 PolarHBondContact O-N 3.32Å; F111-P151 HydrophobicContact CD2-CB 3.58Å; F111-P151 HydrophobicContact CD2-CG 3.54Å; F111-P151 HydrophobicContact CE1-CG 4.48Å; F111-P151 HydrophobicContact CE2-CB 3.66Å; F111-P151 HydrophobicContact CE2-CG 3.08Å; F111-P151 HydrophobicContact CG-CB 4.09Å; F111-P151 HydrophobicContact CG-CG 4.41Å; F111-P151 HydrophobicContact CZ-CB 4.2Å; F111-P151 HydrophobicContact CZ-CG 3.62Å; F111-I230 HydrophobicContact CE1-CG2 4.46Å; F111-I230 HydrophobicContact CZ-CG2 4.46Å; F111-I233 HydrophobicContact CD1-CG2 4.49Å; F111-I233 HydrophobicContact CD2-CG2 4.2Å; F111-I233 HydrophobicContact CE1-CB 4.32Å; F111-I233 HydrophobicContact CE1-CG2 3.82Å; F111-I233 HydrophobicContact CE2-CB 4.17Å; F111-I233 HydrophobicContact CE2-CD1 4.12Å; F111-I233 HydrophobicContact CE2-CG2 3.44Å; F111-I233 VanDerWaalsContact CE2-CG2 3.44Å; F111-I233 HydrophobicContact CZ-CB 3.64Å; F111-I233 HydrophobicContact CZ-CD1 4.13Å; F111-I233 HydrophobicContact CZ-CG1 4.5Å; F111-I233 HydrophobicContact CZ-CG2 3.25Å; F111-M234 HydrophobicContact CE1-CG 3.81Å; F111-M320 HydrophobicContact CB-SD 3.9Å; F111-M320 HydrophobicContact CD1-CE 4.02Å; F111-M320 HydrophobicContact CD1-SD 4.2Å; F111-M320 HydrophobicContact CE1-CE 4.32Å; F111-M320 HydrophobicContact CG-CE 4.2Å; F111-M320 HydrophobicContact CG-SD 4.08Å; F111-V326 HydrophobicContact CB-CG1 4.03Å; F111-I329 HydrophobicContact CD2-CG2 4.15Å; F111-I329 HydrophobicContact CE2-CG2 3.82Å
112H87.4Confident89.2Confident67 Ų6740 Ų4031%0.3119%0.194SC..Hα-helixtrans-64.9-37.8170.9-173.665.5000111.3E109 S115 Q116E109-H112 HydrophobicContact CB-CB 4.33Å; E109-H112 WeakPolarHBondContact O-CB 3.45Å; E109-H112 PolarHBondContact O-N 3.18Å; E109-H112 VanDerWaalsContact O-N 3.13Å; H112-S115 PolarHBondContact O-OG 2.83Å; H112-Q116 PolarHBondContact NE2-NE2 3.39Å; H112-Q116 WeakPolarHBondContact O-CG 3.47Å; H112-Q116 PolarHBondContact O-N 3.22Å
113R87.8Confident89Confident20 Ų2043.5 Ų43.58%0.07521%0.209CC..Hα-helixtrans-65.8-44.7175.6-166.170.2174.9149.36111.3G107 E109 L110 F111 S115 Q116 H117 F156 N159 S160G107-R113 WeakPolarHBondContact O-CD 3.44Å; E109-R113 PolarHBondContact O-N 3.41Å; L110-R113 WeakPolarHBondContact O-CB 3.41Å; L110-R113 PolarHBondContact O-N 3.07Å; F111-R113 VanDerWaalsContact C-N 3.29Å; R113-S115 VanDerWaalsContact C-N 3.33Å; R113-S115 PolarHBondContact O-N 3.4Å; R113-Q116 PolarHBondContact O-N 2.96Å; R113-H117 PolarHBondContact NE-NE2 2.66Å; R113-H117 PolarHBondContact NH2-NE2 3.23Å; R113-H117 PolarHBondContact O-CD2 3.4Å; R113-H117 PolarHBondContact O-N 3.08Å; R113-F156 HydrophobicContact CB-CD2 3.59Å; R113-F156 HydrophobicContact CB-CE2 3.59Å; R113-F156 HydrophobicContact CG-CD2 3.59Å; R113-F156 HydrophobicContact CG-CE2 3.64Å; R113-F156 HydrophobicContact CG-CG 4.26Å; R113-F156 HydrophobicContact CG-CZ 4.36Å; R113-N159 PolarHBondContact NH1-OD1 3.34Å; R113-N159 PolarHBondContact NH2-O 3.27Å; R113-S160 PolarHBondContact NH2-O 3.02Å
114I88.2Confident88.8Confident2 Ų245.3 Ų45.31%0.0122%0.218CC..Hα-helixtrans-60.4-42.4177.6-67.9173.2000111.2L110 F111 Q116 H117 F120 M234 A317 M320L110-I114 HydrophobicContact CD1-CD1 4.03Å; L110-I114 HydrophobicContact CD1-CG1 4.47Å; L110-I114 HydrophobicContact CG-CD1 4.37Å; L110-I114 WeakPolarHBondContact O-CG1 3.08Å; L110-I114 PolarHBondContact O-N 2.92Å; F111-I114 HydrophobicContact CD1-CD1 4.15Å; F111-I114 PolarHBondContact O-N 3.37Å; I114-Q116 PolarHBondContact O-N 3.14Å; I114-H117 PolarHBondContact O-N 3.21Å; I114-H117 VanDerWaalsContact O-N 3.08Å; I114-F120 HydrophobicContact CD1-CD1 4.2Å; I114-F120 HydrophobicContact CD1-CE1 3.63Å; I114-F120 HydrophobicContact CD1-CE2 4.1Å; I114-F120 HydrophobicContact CD1-CZ 3.56Å; I114-F120 HydrophobicContact CG1-CD1 4.2Å; I114-F120 HydrophobicContact CG1-CD2 4.01Å; I114-F120 HydrophobicContact CG1-CE1 4.02Å; I114-F120 HydrophobicContact CG1-CE2 3.82Å; I114-F120 HydrophobicContact CG1-CG 4.19Å; I114-F120 HydrophobicContact CG1-CZ 3.82Å; I114-F120 HydrophobicContact CG2-CB 4.26Å; I114-F120 HydrophobicContact CG2-CD1 3.87Å; I114-F120 HydrophobicContact CG2-CE1 4.36Å; I114-F120 HydrophobicContact CG2-CG 4Å; I114-M234 HydrophobicContact CD1-CB 4.39Å; I114-M234 HydrophobicContact CD1-CG 3.81Å; I114-M234 HydrophobicContact CD1-SD 4.33Å; I114-A317 HydrophobicContact CG2-CB 4.41Å; I114-M320 HydrophobicContact CB-SD 4.34Å; I114-M320 HydrophobicContact CG2-SD 4.06Å
115S85.4Confident88.8Confident20 Ų2044.3 Ų44.314%0.1421%0.213CC..Hα-helixtrans-66.4-21.3179.769.50000114.6F111 H112 R113 M320F111-S115 PolarHBondContact O-N 3.32Å; H112-S115 PolarHBondContact O-OG 2.83Å; R113-S115 VanDerWaalsContact C-N 3.33Å; R113-S115 PolarHBondContact O-N 3.4Å; S115-M320 WeakPolarHBondContact CB-O 3.29Å
116Q83.9Confident88.8Confident100 Ų10043.4 Ų43.447%0.46721%0.209SC..Hα-helixtrans-82.1-21.9174.4-68.3179.2-12.600113H112 R113 I114H112-Q116 PolarHBondContact NE2-NE2 3.39Å; H112-Q116 WeakPolarHBondContact O-CG 3.47Å; H112-Q116 PolarHBondContact O-N 3.22Å; R113-Q116 PolarHBondContact O-N 2.96Å; I114-Q116 PolarHBondContact O-N 3.14Å
117H79.9Confident88.9Confident46 Ų4643.9 Ų43.921%0.21321%0.212CC..  trans-99.7102.3-175.9-76.3-64.2000111.5R113 I114 H119 F120 A317R113-H117 PolarHBondContact NE-NE2 2.66Å; R113-H117 PolarHBondContact NH2-NE2 3.23Å; R113-H117 PolarHBondContact O-CD2 3.4Å; R113-H117 PolarHBondContact O-N 3.08Å; I114-H117 PolarHBondContact O-N 3.21Å; I114-H117 VanDerWaalsContact O-N 3.08Å; H117-H119 PolarHBondContact O-N 3.43Å; H117-F120 PolarHBondContact O-N 3.1Å; H117-A317 WeakPolarHBondContact O-CB 3.23Å
118K73.6Confident89.1Confident156 Ų15644.3 Ų44.368%0.67821%0.214SC*.THydrogen-bonded Turntrans-58.9-19.5177.7-68.5-172.3177.2-176.50114.7M321K118-M321 HydrophobicContact CG-CE 4.09Å
119H83.4Confident89.3Confident140 Ų14043.1 Ų43.165%0.64820%0.201SC*.THydrogen-bonded Turntrans-121.752.1-175.6-58.892.6000111.4H117 T121H117-H119 PolarHBondContact O-N 3.43Å; H119-T121 PolarHBondContact O-N 3.34Å
120F90Very high89.6Confident7 Ų742.9 Ų42.93%0.03120%0.199CC..  trans-77.4116.5172.1-171.9-111.9000109.8I114 H117 M124 A125 M234 L314 A317I114-F120 HydrophobicContact CD1-CD1 4.2Å; I114-F120 HydrophobicContact CD1-CE1 3.63Å; I114-F120 HydrophobicContact CD1-CE2 4.1Å; I114-F120 HydrophobicContact CD1-CZ 3.56Å; I114-F120 HydrophobicContact CG1-CD1 4.2Å; I114-F120 HydrophobicContact CG1-CD2 4.01Å; I114-F120 HydrophobicContact CG1-CE1 4.02Å; I114-F120 HydrophobicContact CG1-CE2 3.82Å; I114-F120 HydrophobicContact CG1-CG 4.19Å; I114-F120 HydrophobicContact CG1-CZ 3.82Å; I114-F120 HydrophobicContact CG2-CB 4.26Å; I114-F120 HydrophobicContact CG2-CD1 3.87Å; I114-F120 HydrophobicContact CG2-CE1 4.36Å; I114-F120 HydrophobicContact CG2-CG 4Å; H117-F120 PolarHBondContact O-N 3.1Å; F120-M124 HydrophobicContact CD2-CB 3.96Å; F120-M124 HydrophobicContact CD2-CE 4.02Å; F120-M124 HydrophobicContact CD2-SD 4.25Å; F120-M124 HydrophobicContact CE2-CB 3.77Å; F120-M124 HydrophobicContact CZ-CB 4.48Å; F120-A125 HydrophobicContact CE1-CB 3.78Å; F120-A125 HydrophobicContact CZ-CB 3.82Å; F120-M234 HydrophobicContact CE1-CB 4.33Å; F120-L314 HydrophobicContact CD1-CB 4.47Å; F120-L314 HydrophobicContact CD1-CD1 3.73Å; F120-L314 HydrophobicContact CE1-CD1 3.8Å; F120-L314 WeakPolarHBondContact O-CB 3.25Å; F120-L314 PolarHBondContact O-N 2.91Å; F120-A317 HydrophobicContact CB-CB 4.07Å
121T92.5Very high89.8Confident12 Ų1245.2 Ų45.27%0.07421%0.21CC..BIsolated β-bridgetrans-103.1163.2-17570.90000113.1H119 K123 M124 A125 D311 N312 V313H119-T121 PolarHBondContact O-N 3.34Å; T121-K123 PolarHBondContact O-N 3.29Å; T121-M124 WeakPolarHBondContact O-CB 3.43Å; T121-M124 PolarHBondContact O-N 3.09Å; T121-M124 WeakPolarHBondContact OG1-CG 3.19Å; T121-M124 PolarHBondContact OG1-N 3.38Å; T121-A125 PolarHBondContact O-N 3.5Å; T121-D311 WeakPolarHBondContact CB-OD1 3.42Å; T121-D311 WeakPolarHBondContact CG2-OD1 3.25Å; T121-D311 PolarHBondContact OG1-OD1 2.86Å; T121-N312 WeakPolarHBondContact CA-O 3.41Å; T121-N312 VanDerWaalsContact CB-O 3.29Å; T121-N312 WeakPolarHBondContact CB-O 3.41Å; T121-V313 HydrophobicContact CG2-CG2 4.33Å
122E93.4Very high90.2Very high0 Ų045.3 Ų45.30%021%0.211CC..Hα-helixtrans-59.2-37.8176.4-168.1-172.7128.600111.9M124 A125 S126 L235 S274 A277 W303 L310 N312 L314E122-M124 VanDerWaalsContact C-N 3.35Å; E122-M124 PolarHBondContact O-N 3.43Å; E122-A125 WeakPolarHBondContact O-CB 3.41Å; E122-A125 PolarHBondContact O-N 3.43Å; E122-S126 PolarHBondContact O-N 3.08Å; E122-L235 HydrophobicContact CG-CD2 3.98Å; E122-S274 VanDerWaalsContact OE1-CB 3.27Å; E122-S274 WeakPolarHBondContact OE1-CB 3.48Å; E122-S274 PolarHBondContact OE1-OG 2.73Å; E122-S274 PolarHBondContact OE2-N 3.1Å; E122-A277 HydrophobicContact CG-CB 4.49Å; E122-W303 HydrophobicContact CG-CZ2 4.19Å; E122-W303 PolarHBondContact OE1-NE1 2.92Å; E122-L310 WeakPolarHBondContact CB-O 3.43Å; E122-N312 WeakPolarHBondContact CB-OD1 3.38Å; E122-N312 PolarHBondContact N-O 2.93Å; E122-N312 VanDerWaalsContact N-O 3.13Å; E122-L314 HydrophobicContact CB-CD2 4.02Å; E122-L314 HydrophobicContact CB-CG 4.36Å; E122-L314 HydrophobicContact CG-CD2 4.49Å
123K91.8Very high90.7Very high92 Ų9242.1 Ų42.140%0.420%0.196SC..Hα-helixtrans-58.7-42.6172.3-173.3176.5-179.9-179.80112.8T121 S126 Q127 L310T121-K123 PolarHBondContact O-N 3.29Å; K123-S126 PolarHBondContact O-N 3.11Å; K123-Q127 WeakPolarHBondContact O-CG 3.4Å; K123-Q127 PolarHBondContact O-N 3.04Å; K123-L310 PolarHBondContact N-O 3.47Å
124M92.2Very high91.2Very high53 Ų5344.6 Ų44.626%0.26121%0.208SC..Hα-helixtrans-64.7-42.8174.8-64.9173.273.900111.2F120 T121 E122 S126 Q127 V128F120-M124 HydrophobicContact CD2-CB 3.96Å; F120-M124 HydrophobicContact CD2-CE 4.02Å; F120-M124 HydrophobicContact CD2-SD 4.25Å; F120-M124 HydrophobicContact CE2-CB 3.77Å; F120-M124 HydrophobicContact CZ-CB 4.48Å; T121-M124 WeakPolarHBondContact O-CB 3.43Å; T121-M124 PolarHBondContact O-N 3.09Å; T121-M124 WeakPolarHBondContact OG1-CG 3.19Å; T121-M124 PolarHBondContact OG1-N 3.38Å; E122-M124 VanDerWaalsContact C-N 3.35Å; E122-M124 PolarHBondContact O-N 3.43Å; M124-S126 VanDerWaalsContact C-N 3.34Å; M124-S126 PolarHBondContact O-N 3.22Å; M124-Q127 PolarHBondContact O-N 3.29Å; M124-V128 WeakPolarHBondContact O-CG2 3.43Å; M124-V128 PolarHBondContact O-N 3.32Å
125A94Very high91.6Very high0 Ų044.5 Ų44.50%021%0.208CC..Hα-helixtrans-58.9-44.8175.800000111.8F120 T121 E122 Q127 V128 T129 L235 W303 L314F120-A125 HydrophobicContact CE1-CB 3.78Å; F120-A125 HydrophobicContact CZ-CB 3.82Å; T121-A125 PolarHBondContact O-N 3.5Å; E122-A125 WeakPolarHBondContact O-CB 3.41Å; E122-A125 PolarHBondContact O-N 3.43Å; A125-Q127 PolarHBondContact O-N 3.46Å; A125-V128 PolarHBondContact O-N 3.48Å; A125-T129 PolarHBondContact O-N 3.37Å; A125-T129 PolarHBondContact O-OG1 3.39Å; A125-L235 HydrophobicContact CB-CD2 4.31Å; A125-W303 HydrophobicContact CB-CH2 4.39Å; A125-W303 HydrophobicContact CB-CZ2 4.36Å; A125-L314 HydrophobicContact CB-CD1 3.86Å
126S95.1Very high92.1Very high5 Ų543.6 Ų43.64%0.03520%0.201CC..Hα-helixtrans-60-43.9175.51710000112.4E122 K123 M124 V128 T129 K130 W303 L304E122-S126 PolarHBondContact O-N 3.08Å; K123-S126 PolarHBondContact O-N 3.11Å; M124-S126 VanDerWaalsContact C-N 3.34Å; M124-S126 PolarHBondContact O-N 3.22Å; S126-V128 PolarHBondContact O-N 2.85Å; S126-T129 PolarHBondContact O-N 2.89Å; S126-K130 WeakPolarHBondContact O-CB 3.49Å; S126-K130 PolarHBondContact O-N 3.02Å; S126-W303 PolarHBondContact OG-O 3.39Å; S126-L304 WeakPolarHBondContact O-CD2 3.45Å
127Q93.4Very high92.6Very high106 Ų10639.8 Ų39.850%0.49519%0.187SC..Hα-helixtrans-62.4-44177.2-72.8173.6-20.100112.3K123 M124 A125 K130 Q131K123-Q127 WeakPolarHBondContact O-CG 3.4Å; K123-Q127 PolarHBondContact O-N 3.04Å; M124-Q127 PolarHBondContact O-N 3.29Å; A125-Q127 PolarHBondContact O-N 3.46Å; Q127-K130 WeakPolarHBondContact O-CB 3.47Å; Q127-K130 PolarHBondContact O-N 3.07Å; Q127-Q131 PolarHBondContact O-N 3.15Å; Q127-Q131 VanDerWaalsContact O-N 3.15Å
128V95Very high93.3Very high12 Ų1239.9 Ų39.97%0.07319%0.188CC..Hα-helixtrans-61.7-46.9174.7170.80000110.4L110 M124 A125 S126 K130 Q131 I132 F156 V165 M234L110-V128 HydrophobicContact CD1-CG1 3.69Å; L110-V128 HydrophobicContact CD2-CG1 4.45Å; M124-V128 WeakPolarHBondContact O-CG2 3.43Å; M124-V128 PolarHBondContact O-N 3.32Å; A125-V128 PolarHBondContact O-N 3.48Å; S126-V128 PolarHBondContact O-N 2.85Å; V128-K130 VanDerWaalsContact C-N 3.29Å; V128-K130 PolarHBondContact O-N 3.04Å; V128-Q131 PolarHBondContact O-N 3.05Å; V128-I132 HydrophobicContact CG1-CD1 3.78Å; V128-I132 HydrophobicContact CG1-CG1 4.48Å; V128-I132 VanDerWaalsContact O-CG1 3.32Å; V128-I132 WeakPolarHBondContact O-CG1 3.17Å; V128-I132 PolarHBondContact O-N 3.38Å; V128-F156 HydrophobicContact CG2-CZ 4.09Å; V128-V165 HydrophobicContact CG1-CG1 4.19Å; V128-M234 HydrophobicContact CB-SD 4.34Å; V128-M234 HydrophobicContact CG1-CE 4.44Å; V128-M234 HydrophobicContact CG1-SD 3.78Å
129T96.6Very high94.2Very high0 Ų032.5 Ų32.50%016%0.156CC..Hα-helixtrans-58.5-40.9176.3-60.90000112A125 S126 Q131 I132 S133 L227 I231 M234 W303 L304A125-T129 PolarHBondContact O-N 3.37Å; A125-T129 PolarHBondContact O-OG1 3.39Å; S126-T129 PolarHBondContact O-N 2.89Å; T129-Q131 PolarHBondContact O-N 3.36Å; T129-I132 PolarHBondContact O-N 3.29Å; T129-S133 VanDerWaalsContact O-CB 3.29Å; T129-S133 WeakPolarHBondContact O-CB 3.49Å; T129-S133 PolarHBondContact O-N 3.42Å; T129-S133 PolarHBondContact O-OG 3.24Å; T129-L227 HydrophobicContact CG2-CD1 4.26Å; T129-I231 HydrophobicContact CG2-CD1 3.58Å; T129-I231 HydrophobicContact CG2-CG1 3.8Å; T129-M234 WeakPolarHBondContact OG1-CE 3.5Å; T129-W303 HydrophobicContact CG2-CZ3 3.92Å; T129-L304 HydrophobicContact CG2-CD1 4.11Å; T129-L304 HydrophobicContact CG2-CD2 3.7Å
130K96.3Very high94.4Very high63 Ų6326.2 Ų26.227%0.27413%0.127SC..Hα-helixtrans-59.9-46.7178-173.5174.8-166.9150.50111.6S126 Q127 V128 S133 Q134 L304 N305S126-K130 WeakPolarHBondContact O-CB 3.49Å; S126-K130 PolarHBondContact O-N 3.02Å; Q127-K130 WeakPolarHBondContact O-CB 3.47Å; Q127-K130 PolarHBondContact O-N 3.07Å; V128-K130 VanDerWaalsContact C-N 3.29Å; V128-K130 PolarHBondContact O-N 3.04Å; K130-S133 PolarHBondContact O-N 3.46Å; K130-Q134 VanDerWaalsContact O-CG 3.28Å; K130-Q134 WeakPolarHBondContact O-CG 3.24Å; K130-Q134 PolarHBondContact O-N 2.8Å; K130-L304 HydrophobicContact CB-CD2 4.47Å; K130-L304 PolarHBondContact NZ-O 2.91Å; K130-L304 VanDerWaalsContact NZ-O 3.14Å; K130-N305 PolarHBondContact NZ-OD1 3.2Å
131Q96.9Very high94.3Very high48 Ų4829.9 Ų29.922%0.22415%0.153CC..Hα-helixtrans-62.7-43.6177.8-72.7-174.135.400112.5N74 Q127 V128 T129 S133 Q134 A135 P164 V165N74-Q131 WeakPolarHBondContact CB-O 3.29Å; N74-Q131 WeakPolarHBondContact ND2-CB 3.33Å; N74-Q131 PolarHBondContact ND2-OE1 2.88Å; N74-Q131 VanDerWaalsContact ND2-OE1 3.12Å; Q127-Q131 PolarHBondContact O-N 3.15Å; Q127-Q131 VanDerWaalsContact O-N 3.15Å; V128-Q131 PolarHBondContact O-N 3.05Å; T129-Q131 PolarHBondContact O-N 3.36Å; Q131-S133 VanDerWaalsContact C-N 3.32Å; Q131-S133 PolarHBondContact O-N 3.29Å; Q131-Q134 PolarHBondContact O-N 3.08Å; Q131-A135 PolarHBondContact O-N 3.43Å; Q131-A135 VanDerWaalsContact O-N 3.11Å; Q131-P164 VanDerWaalsContact OE1-CA 3.27Å; Q131-V165 HydrophobicContact CB-CG1 3.48Å; Q131-V165 VanDerWaalsContact CB-CG1 3.48Å; Q131-V165 HydrophobicContact CG-CG1 4.39Å
132I97.9Very high94Very high3 Ų332.3 Ų32.32%0.01517%0.165CC..Hα-helixtrans-61.8-43.5174.6-60.5162.9000110.3L110 V128 T129 Q134 A135 L136 L149 L154 V165 L227L110-I132 HydrophobicContact CD2-CD1 4.35Å; V128-I132 HydrophobicContact CG1-CD1 3.78Å; V128-I132 HydrophobicContact CG1-CG1 4.48Å; V128-I132 VanDerWaalsContact O-CG1 3.32Å; V128-I132 WeakPolarHBondContact O-CG1 3.17Å; V128-I132 PolarHBondContact O-N 3.38Å; T129-I132 PolarHBondContact O-N 3.29Å; I132-Q134 VanDerWaalsContact C-N 3.34Å; I132-Q134 PolarHBondContact O-N 3.3Å; I132-A135 WeakPolarHBondContact O-CB 3.32Å; I132-A135 PolarHBondContact O-N 3.1Å; I132-L136 HydrophobicContact CG2-CD1 4.24Å; I132-L136 WeakPolarHBondContact O-CG 3.39Å; I132-L136 PolarHBondContact O-N 2.96Å; I132-L149 HydrophobicContact CG2-CD1 4.19Å; I132-L149 HydrophobicContact CG2-CD2 4.47Å; I132-L154 HydrophobicContact CD1-CD1 3.64Å; I132-L154 HydrophobicContact CD1-CD2 4.38Å; I132-L154 HydrophobicContact CG1-CD1 4.16Å; I132-L154 HydrophobicContact CG1-CD2 3.96Å; I132-L154 HydrophobicContact CG2-CD2 4.22Å; I132-V165 HydrophobicContact CG1-CG1 4.03Å; I132-V165 HydrophobicContact CG1-CG2 4.48Å; I132-L227 HydrophobicContact CB-CD1 4.25Å; I132-L227 HydrophobicContact CG2-CD1 3.74Å
133S97.5Very high93.5Very high0 Ų035.1 Ų35.10%018%0.18CC..Hα-helixtrans-65.8-36.6-179.6-560000111.9T129 K130 Q131 L136 A137 V298T129-S133 VanDerWaalsContact O-CB 3.29Å; T129-S133 WeakPolarHBondContact O-CB 3.49Å; T129-S133 PolarHBondContact O-N 3.42Å; T129-S133 PolarHBondContact O-OG 3.24Å; K130-S133 PolarHBondContact O-N 3.46Å; Q131-S133 VanDerWaalsContact C-N 3.32Å; Q131-S133 PolarHBondContact O-N 3.29Å; S133-L136 PolarHBondContact O-N 3.4Å; S133-A137 VanDerWaalsContact O-CB 3.27Å; S133-A137 WeakPolarHBondContact O-CB 3.28Å; S133-A137 PolarHBondContact O-N 3.42Å; S133-V298 VanDerWaalsContact OG-CG1 3.31Å; S133-V298 WeakPolarHBondContact OG-CG1 3.16Å
134Q97.6Very high93.2Very high71 Ų7130.7 Ų30.733%0.33216%0.161SC..Hα-helixtrans-64.4-43.3174-73.2167.9-34.500111.5K130 Q131 I132 L136 A137 H138 L299K130-Q134 VanDerWaalsContact O-CG 3.28Å; K130-Q134 WeakPolarHBondContact O-CG 3.24Å; K130-Q134 PolarHBondContact O-N 2.8Å; Q131-Q134 PolarHBondContact O-N 3.08Å; I132-Q134 VanDerWaalsContact C-N 3.34Å; I132-Q134 PolarHBondContact O-N 3.3Å; Q134-L136 PolarHBondContact O-N 3.36Å; Q134-A137 PolarHBondContact O-N 2.71Å; Q134-H138 PolarHBondContact O-N 3.04Å; Q134-L299 HydrophobicContact CG-CD2 3.96Å
135A97.7Very high92.9Very high1 Ų128.2 Ų28.21%0.00815%0.149CC..Hα-helixtrans-59.3-47.1173.800000112N74 I75 Q131 I132 H138 C139 L167N74-A135 HydrophobicContact CB-CB 3.88Å; N74-A135 WeakPolarHBondContact O-CB 3.36Å; I75-A135 HydrophobicContact CD1-CB 4.35Å; I75-A135 HydrophobicContact CG1-CB 3.85Å; Q131-A135 PolarHBondContact O-N 3.43Å; Q131-A135 VanDerWaalsContact O-N 3.11Å; I132-A135 WeakPolarHBondContact O-CB 3.32Å; I132-A135 PolarHBondContact O-N 3.1Å; A135-H138 PolarHBondContact O-N 3.03Å; A135-C139 PolarHBondContact O-N 2.88Å; A135-C139 VanDerWaalsContact O-N 3.08Å; A135-C139 PolarHBondContact O-SG 2.81Å; A135-C139 VanDerWaalsContact O-SG 3.4Å; A135-L167 HydrophobicContact CB-CB 4.26Å
136L95.9Very high92.6Very high0 Ų028.2 Ų28.20%015%0.149CC..Hα-helixtrans-65-41.6178-69.3175000112.2I132 S133 Q134 H138 C139 H140 L149 L167 D223 L227 I295I132-L136 HydrophobicContact CG2-CD1 4.24Å; I132-L136 WeakPolarHBondContact O-CG 3.39Å; I132-L136 PolarHBondContact O-N 2.96Å; S133-L136 PolarHBondContact O-N 3.4Å; Q134-L136 PolarHBondContact O-N 3.36Å; L136-H138 VanDerWaalsContact C-N 3.29Å; L136-H138 PolarHBondContact O-N 3.49Å; L136-C139 PolarHBondContact O-N 3.35Å; L136-H140 WeakPolarHBondContact O-CB 3.37Å; L136-H140 PolarHBondContact O-CD2 2.88Å; L136-H140 VanDerWaalsContact O-CD2 3.3Å; L136-H140 VanDerWaalsContact O-CG 3.23Å; L136-H140 PolarHBondContact O-N 2.94Å; L136-L149 HydrophobicContact CD1-CD2 3.75Å; L136-L149 HydrophobicContact CD2-CD1 4.44Å; L136-L149 HydrophobicContact CD2-CD2 4.4Å; L136-L167 HydrophobicContact CD2-CD2 4.26Å; L136-D223 HydrophobicContact CD1-CB 4.46Å; L136-D223 HydrophobicContact CD2-CB 4.01Å; L136-L227 HydrophobicContact CD1-CB 4.45Å; L136-L227 HydrophobicContact CD1-CD2 4.23Å; L136-I295 HydrophobicContact CB-CD1 3.83Å; L136-I295 HydrophobicContact CB-CG1 4.33Å; L136-I295 HydrophobicContact CD1-CD1 4.45Å
137A94.5Very high92.2Very high21 Ų2129.2 Ų29.217%0.17415%0.152CC..Hα-helixtrans-59.9-42.8177.200000111.2S133 Q134 H140 S141 I295 L299S133-A137 VanDerWaalsContact O-CB 3.27Å; S133-A137 WeakPolarHBondContact O-CB 3.28Å; S133-A137 PolarHBondContact O-N 3.42Å; Q134-A137 PolarHBondContact O-N 2.71Å; A137-H140 PolarHBondContact O-N 3.32Å; A137-S141 WeakPolarHBondContact O-CB 3.46Å; A137-S141 PolarHBondContact O-N 2.85Å; A137-I295 HydrophobicContact CB-CG1 3.69Å; A137-I295 HydrophobicContact CB-CG2 4.44Å; A137-L299 HydrophobicContact CB-CD1 3.59Å
138H94.6Very high91.8Very high48 Ų4824.3 Ų24.322%0.22213%0.129CC..Hα-helixtrans-59.3-52.1174.4-178.169.2000111.5H72 Q134 A135 L136 H140 S141 L142H72-H138 HydrophobicContact CB-CB 4.32Å; H72-H138 AromaticContact CD2-CG 3.72Å; H72-H138 AromaticContact CG-CG 3.96Å; Q134-H138 PolarHBondContact O-N 3.04Å; A135-H138 PolarHBondContact O-N 3.03Å; L136-H138 VanDerWaalsContact C-N 3.29Å; L136-H138 PolarHBondContact O-N 3.49Å; H138-H140 VanDerWaalsContact C-N 3.35Å; H138-H140 PolarHBondContact O-N 3.41Å; H138-S141 PolarHBondContact O-N 3.35Å; H138-S141 PolarHBondContact O-OG 3.26Å; H138-L142 PolarHBondContact O-N 2.98Å
139C91.4Very high91.4Very high0 Ų023.8 Ų23.80%013%0.126CC..Hα-helixtrans-55.3-49175.3-68.10000111.9C69 A135 L136 S141 L142 N143 I144C69-C139 VanDerWaalsContact SG-SG 3.66Å; A135-C139 PolarHBondContact O-N 2.88Å; A135-C139 VanDerWaalsContact O-N 3.08Å; A135-C139 PolarHBondContact O-SG 2.81Å; A135-C139 VanDerWaalsContact O-SG 3.4Å; L136-C139 PolarHBondContact O-N 3.35Å; C139-S141 VanDerWaalsContact C-N 3.3Å; C139-S141 PolarHBondContact O-N 2.9Å; C139-L142 CarbonylContact O-C 3.59Å; C139-L142 WeakPolarHBondContact O-CB 3.47Å; C139-L142 PolarHBondContact O-N 3.33Å; C139-L142 VanDerWaalsContact O-N 3.07Å; C139-N143 PolarHBondContact O-N 3.19Å; C139-I144 CarbonylContact C-O 3.42Å; C139-I144 HydrophobicContact CB-CB 4.44Å; C139-I144 WeakPolarHBondContact CB-O 3.45Å; C139-I144 WeakPolarHBondContact O-CA 3.48Å; C139-I144 PolarHBondContact O-N 3.05Å; C139-I144 VanDerWaalsContact O-O 3.1Å
140H88.7Confident90.9Very high9 Ų924.8 Ų24.84%0.04213%0.13CC..Hα-helixtrans-66.5-31.6-176-72-168.3000112.5L136 A137 H138 L142 N143 I144 K220 D223 I295L136-H140 WeakPolarHBondContact O-CB 3.37Å; L136-H140 PolarHBondContact O-CD2 2.88Å; L136-H140 VanDerWaalsContact O-CD2 3.3Å; L136-H140 VanDerWaalsContact O-CG 3.23Å; L136-H140 PolarHBondContact O-N 2.94Å; A137-H140 PolarHBondContact O-N 3.32Å; H138-H140 VanDerWaalsContact C-N 3.35Å; H138-H140 PolarHBondContact O-N 3.41Å; H140-L142 VanDerWaalsContact C-N 3.27Å; H140-L142 PolarHBondContact O-N 2.9Å; H140-N143 WeakPolarHBondContact O-CA 3.46Å; H140-N143 PolarHBondContact O-N 2.82Å; H140-I144 PolarHBondContact CD2-O 3.26Å; H140-I144 PolarHBondContact N-O 2.98Å; H140-K220 HydrophobicContact CB-CD 4.2Å; H140-K220 PolarHBondContact CE1-O 2.91Å; H140-K220 PolarHBondContact O-NZ 3.47Å; H140-D223 IonicContact CD2-OD2 3.93Å; H140-D223 IonicContact CE1-OD2 2.75Å; H140-D223 IonicContact NE2-OD2 2.6Å; H140-D223 PolarHBondContact NE2-OD2 3.12Å; H140-I295 HydrophobicContact CB-CG2 4.27Å
141S87.7Confident90.2Very high84 Ų8421.8 Ų21.859%0.58712%0.117SC*.Hα-helixtrans-65.8-29.9173.678.30000112.7A137 H138 C139 N143A137-S141 WeakPolarHBondContact O-CB 3.46Å; A137-S141 PolarHBondContact O-N 2.85Å; H138-S141 PolarHBondContact O-N 3.35Å; H138-S141 PolarHBondContact O-OG 3.26Å; C139-S141 VanDerWaalsContact C-N 3.3Å; C139-S141 PolarHBondContact O-N 2.9Å; S141-N143 PolarHBondContact O-N 3.44Å
142L85.1Confident89.6Confident62 Ų6221.6 Ų21.633%0.32512%0.116SC..THydrogen-bonded Turntrans-86.68.9172.8-60.8175.7000112.5M68 H138 C139 H140 I144M68-L142 WeakPolarHBondContact O-CD1 3.44Å; H138-L142 PolarHBondContact O-N 2.98Å; C139-L142 CarbonylContact O-C 3.59Å; C139-L142 WeakPolarHBondContact O-CB 3.47Å; C139-L142 PolarHBondContact O-N 3.33Å; C139-L142 VanDerWaalsContact O-N 3.07Å; H140-L142 VanDerWaalsContact C-N 3.27Å; H140-L142 PolarHBondContact O-N 2.9Å; L142-I144 HydrophobicContact CB-CD1 4.07Å; L142-I144 HydrophobicContact CB-CG1 4.24Å; L142-I144 PolarHBondContact O-N 2.95Å
143N83.7Confident89.2Confident59 Ų5921.9 Ų21.932%0.31612%0.118SC..THydrogen-bonded Turntrans56.130.4-171-66.5-44.2000113.9C139 H140 S141 I175 D176 Y216 K220C139-N143 PolarHBondContact O-N 3.19Å; H140-N143 WeakPolarHBondContact O-CA 3.46Å; H140-N143 PolarHBondContact O-N 2.82Å; S141-N143 PolarHBondContact O-N 3.44Å; N143-I175 HydrophobicContact CB-CG2 4.46Å; N143-I175 CarbonylContact O-C 3.52Å; N143-I175 VanDerWaalsContact O-CA 3.31Å; N143-I175 WeakPolarHBondContact O-CA 3.25Å; N143-D176 PolarHBondContact O-N 3.42Å; N143-Y216 PolarHBondContact OD1-OH 2.82Å; N143-K220 PolarHBondContact OD1-NZ 3.02Å
144I84.6Confident89.1Confident0 Ų021.9 Ų21.90%012%0.118CC..EExtended strand (participates in β ladder)trans-102.5121.5174.7-62.8170.1000108.3L65 M68 C69 C139 H140 L142 A173 K174 I175L65-I144 HydrophobicContact CD2-CD1 4.01Å; L65-I144 HydrophobicContact CD2-CG1 4.21Å; M68-I144 HydrophobicContact CB-CD1 4.05Å; M68-I144 HydrophobicContact CE-CD1 4.15Å; M68-I144 HydrophobicContact SD-CD1 4.29Å; C69-I144 VanDerWaalsContact SG-CD1 3.59Å; C139-I144 CarbonylContact C-O 3.42Å; C139-I144 HydrophobicContact CB-CB 4.44Å; C139-I144 WeakPolarHBondContact CB-O 3.45Å; C139-I144 WeakPolarHBondContact O-CA 3.48Å; C139-I144 PolarHBondContact O-N 3.05Å; C139-I144 VanDerWaalsContact O-O 3.1Å; H140-I144 PolarHBondContact CD2-O 3.26Å; H140-I144 PolarHBondContact N-O 2.98Å; L142-I144 HydrophobicContact CB-CD1 4.07Å; L142-I144 HydrophobicContact CB-CG1 4.24Å; L142-I144 PolarHBondContact O-N 2.95Å; I144-A173 HydrophobicContact CG2-CB 4.22Å; I144-K174 WeakPolarHBondContact CA-O 3.45Å; I144-I175 HydrophobicContact CG1-CG1 4.25Å
145A86.5Confident88.9Confident0 Ų020.1 Ų20.10%011%0.11CC..EExtended strand (participates in β ladder)trans-96.6136.5167.300000109.2R147 A173 K174 N219 K220A145-R147 HydrophobicContact CB-CG 4.01Å; A145-A173 VanDerWaalsContact O-CA 3.23Å; A145-A173 WeakPolarHBondContact O-CA 2.99Å; A145-K174 PolarHBondContact N-O 2.89Å; A145-K174 PolarHBondContact O-N 3.36Å; A145-N219 HydrophobicContact CB-CB 3.57Å; A145-K220 HydrophobicContact CB-CG 4.25Å
146H88.6Confident88.8Confident0 Ų021 Ų210%011%0.114CC..  trans-76-42.3-177.5-174.5-93.7000111.6D148 L149 L167 C168 D169 F172 A173 D223H146-D148 VanDerWaalsContact CE1-C 3.43Å; H146-D148 PolarHBondContact CE1-O 2.85Å; H146-D148 PolarHBondContact ND1-N 2.91Å; H146-D148 PolarHBondContact ND1-O 2.96Å; H146-D148 PolarHBondContact O-N 2.73Å; H146-L149 PolarHBondContact ND1-N 3.42Å; H146-L167 HydrophobicContact CB-CD2 4.48Å; H146-C168 PolarHBondContact NE2-O 3.04Å; H146-C168 VanDerWaalsContact NE2-O 3.14Å; H146-D169 PolarHBondContact CE1-O 3.34Å; H146-D169 PolarHBondContact NE2-O 3.37Å; H146-F172 CarbonylContact O-C 3.54Å; H146-A173 WeakPolarHBondContact O-CA 3.25Å; H146-A173 PolarHBondContact O-N 2.9Å; H146-D223 PolarHBondContact N-OD2 3.41Å
147R85.3Confident88.8Confident27 Ų2723.8 Ų23.810%0.10213%0.126CC..SBendtrans62.6-7178.4-52.2-169-59.6171.11.7116.3A145 F172 N219 D223 R341 D344A145-R147 HydrophobicContact CB-CG 4.01Å; R147-F172 HydrophobicContact CB-CB 4.41Å; R147-F172 PolarHBondContact NE-O 3.09Å; R147-F172 PolarHBondContact NH2-O 3.44Å; R147-N219 WeakPolarHBondContact CD-OD1 3.13Å; R147-N219 HydrophobicContact CG-CB 4.29Å; R147-D223 WeakPolarHBondContact CA-OD1 3.27Å; R147-D223 PolarHBondContact N-OD1 3.46Å; R147-R341 VanDerWaalsContact O-CZ 3.26Å; R147-R341 PolarHBondContact O-NE 3.27Å; R147-R341 PolarHBondContact O-NH2 3.05Å; R147-R341 VanDerWaalsContact O-NH2 3.08Å; R147-D344 IonicContact CZ-OD2 3.8Å; R147-D344 IonicContact NH1-OD1 3.37Å; R147-D344 IonicContact NH1-OD2 2.8Å; R147-D344 PolarHBondContact NH1-OD2 2.6Å; R147-D344 IonicContact NH2-OD2 3.02Å; R147-D344 PolarHBondContact NH2-OD2 2.69Å; R147-D344 VanDerWaalsContact NH2-OD2 3.16Å
148D85Confident88.7Confident3 Ų325.4 Ų25.42%0.01613%0.132CC..  trans-127.840.3175.6-167.630.5000112.5H146 K150 N153 F172 R341H146-D148 VanDerWaalsContact CE1-C 3.43Å; H146-D148 PolarHBondContact CE1-O 2.85Å; H146-D148 PolarHBondContact ND1-N 2.91Å; H146-D148 PolarHBondContact ND1-O 2.96Å; H146-D148 PolarHBondContact O-N 2.73Å; D148-K150 VanDerWaalsContact CG-NZ 3.34Å; D148-K150 PolarHBondContact O-N 3.46Å; D148-K150 VanDerWaalsContact O-N 3.12Å; D148-K150 WeakPolarHBondContact OD1-CD 3.26Å; D148-K150 IonicContact OD1-NZ 2.72Å; D148-K150 PolarHBondContact OD1-NZ 3.13Å; D148-K150 VanDerWaalsContact OD1-NZ 3.1Å; D148-K150 IonicContact OD2-NZ 3.78Å; D148-K150 PolarHBondContact OD2-NZ 3.29Å; D148-N153 PolarHBondContact O-ND2 3.41Å; D148-N153 PolarHBondContact OD2-ND2 2.78Å; D148-N153 VanDerWaalsContact OD2-ND2 3.15Å; D148-F172 HydrophobicContact CB-CB 3.96Å; D148-F172 HydrophobicContact CB-CD2 3.67Å; D148-F172 HydrophobicContact CB-CG 4.12Å; D148-F172 WeakPolarHBondContact OD2-CD2 3.38Å; D148-R341 VanDerWaalsContact CA-NH2 3.26Å; D148-R341 VanDerWaalsContact CB-NH2 3.33Å; D148-R341 IonicContact OD1-CZ 2.87Å; D148-R341 IonicContact OD1-NH1 2.94Å; D148-R341 IonicContact OD1-NH2 3.77Å; D148-R341 PolarHBondContact OD1-NH2 2.72Å
149L87.8Confident88.4Confident0 Ų027.9 Ų27.90%015%0.147CC..  trans-71.3107.1176.4-175.571.5000110I132 L136 H146 L154 L167 D223 S226 L227 I230 H333 L337I132-L149 HydrophobicContact CG2-CD1 4.19Å; I132-L149 HydrophobicContact CG2-CD2 4.47Å; L136-L149 HydrophobicContact CD1-CD2 3.75Å; L136-L149 HydrophobicContact CD2-CD1 4.44Å; L136-L149 HydrophobicContact CD2-CD2 4.4Å; H146-L149 PolarHBondContact ND1-N 3.42Å; L149-L154 HydrophobicContact CD1-CD1 4.41Å; L149-L154 HydrophobicContact CD1-CD2 4.04Å; L149-L154 HydrophobicContact CD1-CG 4.38Å; L149-L167 HydrophobicContact CD1-CD1 3.67Å; L149-D223 WeakPolarHBondContact CD2-O 3.27Å; L149-S226 VanDerWaalsContact O-CB 3.27Å; L149-S226 WeakPolarHBondContact O-CB 3.36Å; L149-S226 PolarHBondContact O-OG 2.83Å; L149-L227 HydrophobicContact CD2-CB 4.04Å; L149-I230 HydrophobicContact CD2-CD1 4.12Å; L149-I230 HydrophobicContact CG-CD1 3.82Å; L149-H333 PolarHBondContact O-CE1 3.49Å; L149-L337 WeakPolarHBondContact O-CD1 3.43Å
150K84.8Confident88.4Confident21 Ų2129.8 Ų29.89%0.09116%0.16CC..  trans-145.7160.9-179.364.9-179.6-175.4-130.30110.8D148 E152 N153 L337D148-K150 VanDerWaalsContact CG-NZ 3.34Å; D148-K150 PolarHBondContact O-N 3.46Å; D148-K150 VanDerWaalsContact O-N 3.12Å; D148-K150 WeakPolarHBondContact OD1-CD 3.26Å; D148-K150 IonicContact OD1-NZ 2.72Å; D148-K150 PolarHBondContact OD1-NZ 3.13Å; D148-K150 VanDerWaalsContact OD1-NZ 3.1Å; D148-K150 IonicContact OD2-NZ 3.78Å; D148-K150 PolarHBondContact OD2-NZ 3.29Å; K150-E152 VanDerWaalsContact CB-OE2 3.23Å; K150-E152 WeakPolarHBondContact CB-OE2 3.47Å; K150-E152 HydrophobicContact CD-CB 4.4Å; K150-E152 VanDerWaalsContact CD-OE2 3.22Å; K150-E152 WeakPolarHBondContact CD-OE2 3.23Å; K150-E152 HydrophobicContact CG-CB 4.31Å; K150-E152 WeakPolarHBondContact CG-OE2 3.29Å; K150-E152 PolarHBondContact O-N 3.25Å; K150-N153 HydrophobicContact CG-CB 4.1Å; K150-N153 PolarHBondContact O-N 2.9Å; K150-L337 HydrophobicContact CB-CD1 3.74Å
151P81.8Confident88Confident0 Ų036.2 Ų36.20%019%0.194CC..G310 helixtrans-54.4-35.3-176.5-26.433.7000114.2F111 N153 L154 H333F111-P151 HydrophobicContact CD2-CB 3.58Å; F111-P151 HydrophobicContact CD2-CG 3.54Å; F111-P151 HydrophobicContact CE1-CG 4.48Å; F111-P151 HydrophobicContact CE2-CB 3.66Å; F111-P151 HydrophobicContact CE2-CG 3.08Å; F111-P151 HydrophobicContact CG-CB 4.09Å; F111-P151 HydrophobicContact CG-CG 4.41Å; F111-P151 HydrophobicContact CZ-CB 4.2Å; F111-P151 HydrophobicContact CZ-CG 3.62Å; P151-N153 PolarHBondContact O-N 2.81Å; P151-L154 PolarHBondContact O-N 2.9Å; P151-L154 VanDerWaalsContact O-N 3.15Å; P151-H333 VanDerWaalsContact CD-ND1 3.32Å; P151-H333 WeakPolarHBondContact CD-ND1 3.3Å
152E84.8Confident87.9Confident44 Ų4438.7 Ų38.721%0.20620%0.201CC..G310 helixtrans-67.4-24179.3-53.191145.700112.4K150 Q330K150-E152 VanDerWaalsContact CB-OE2 3.23Å; K150-E152 WeakPolarHBondContact CB-OE2 3.47Å; K150-E152 HydrophobicContact CD-CB 4.4Å; K150-E152 VanDerWaalsContact CD-OE2 3.22Å; K150-E152 WeakPolarHBondContact CD-OE2 3.23Å; K150-E152 HydrophobicContact CG-CB 4.31Å; K150-E152 WeakPolarHBondContact CG-OE2 3.29Å; K150-E152 PolarHBondContact O-N 3.25Å; E152-Q330 HydrophobicContact CG-CG 4.46Å; E152-Q330 WeakPolarHBondContact OE1-CB 3.4Å
153N90.4Very high88.2Confident9 Ų936 Ų365%0.04819%0.187CC..G310 helixtrans-95.16.8177.9-70.6-9000112.3D148 K150 P151 L167 C168D148-N153 PolarHBondContact O-ND2 3.41Å; D148-N153 PolarHBondContact OD2-ND2 2.78Å; D148-N153 VanDerWaalsContact OD2-ND2 3.15Å; K150-N153 HydrophobicContact CG-CB 4.1Å; K150-N153 PolarHBondContact O-N 2.9Å; P151-N153 PolarHBondContact O-N 2.81Å; N153-L167 HydrophobicContact CB-CD1 4.48Å; N153-L167 WeakPolarHBondContact O-CA 3.15Å; N153-C168 WeakPolarHBondContact CB-O 3.28Å; N153-C168 PolarHBondContact O-N 3.49Å
154L94.3Very high88.7Confident0 Ų035.4 Ų35.40%019%0.187CC..EExtended strand (participates in β ladder)trans-118.1102.6177.6-66.7175.3000109.2L110 I132 L149 P151 V165 L167 I230L110-L154 HydrophobicContact CB-CB 4.05Å; L110-L154 HydrophobicContact CD2-CB 4.38Å; L110-L154 HydrophobicContact CD2-CD1 3.77Å; L110-L154 PolarHBondContact N-O 2.94Å; I132-L154 HydrophobicContact CD1-CD1 3.64Å; I132-L154 HydrophobicContact CD1-CD2 4.38Å; I132-L154 HydrophobicContact CG1-CD1 4.16Å; I132-L154 HydrophobicContact CG1-CD2 3.96Å; I132-L154 HydrophobicContact CG2-CD2 4.22Å; L149-L154 HydrophobicContact CD1-CD1 4.41Å; L149-L154 HydrophobicContact CD1-CD2 4.04Å; L149-L154 HydrophobicContact CD1-CG 4.38Å; P151-L154 PolarHBondContact O-N 2.9Å; P151-L154 VanDerWaalsContact O-N 3.15Å; L154-V165 HydrophobicContact CB-CG2 4.1Å; L154-V165 HydrophobicContact CD2-CG2 4.45Å; L154-L167 HydrophobicContact CD2-CB 4.41Å; L154-L167 HydrophobicContact CD2-CD1 4.03Å; L154-I230 HydrophobicContact CD1-CD1 3.85Å; L154-I230 HydrophobicContact CD1-CG2 4.36Å
155L94.3Very high89.3Confident35 Ų3535.5 Ų35.518%0.18319%0.187CC..EExtended strand (participates in β ladder)trans-114.3140.3-172.6-56.6179.6000110.9M105 G108 E109 K166M105-L155 HydrophobicContact CB-CB 3.98Å; M105-L155 HydrophobicContact CB-CD1 3.95Å; M105-L155 HydrophobicContact CE-CB 3.88Å; M105-L155 WeakPolarHBondContact CE-O 3.17Å; M105-L155 HydrophobicContact CG-CB 4.23Å; M105-L155 HydrophobicContact CG-CD1 4.12Å; G108-L155 WeakPolarHBondContact O-CA 3.35Å; E109-L155 HydrophobicContact CB-CD2 4.35Å; E109-L155 HydrophobicContact CG-CD2 3.71Å; L155-K166 PolarHBondContact N-O 2.75Å; L155-K166 PolarHBondContact O-N 3.29Å
156F95.4Very high89.8Confident20 Ų2036.7 Ų36.79%0.08819%0.192CC..EExtended strand (participates in β ladder)trans-82.2140.2169-76.7-80000110.9M105 G107 G108 L110 R113 V128 D158 A163 V165M105-F156 VanDerWaalsContact CE-C 3.49Å; G107-F156 WeakPolarHBondContact CA-O 3.21Å; G107-F156 PolarHBondContact N-O 3.02Å; G108-F156 PolarHBondContact O-N 3.23Å; L110-F156 HydrophobicContact CD1-CE2 3.76Å; L110-F156 HydrophobicContact CD1-CZ 4.02Å; R113-F156 HydrophobicContact CB-CD2 3.59Å; R113-F156 HydrophobicContact CB-CE2 3.59Å; R113-F156 HydrophobicContact CG-CD2 3.59Å; R113-F156 HydrophobicContact CG-CE2 3.64Å; R113-F156 HydrophobicContact CG-CG 4.26Å; R113-F156 HydrophobicContact CG-CZ 4.36Å; V128-F156 HydrophobicContact CG2-CZ 4.09Å; F156-D158 VanDerWaalsContact C-N 3.33Å; F156-D158 PolarHBondContact O-N 2.96Å; F156-A163 HydrophobicContact CB-CB 4.43Å; F156-A163 HydrophobicContact CD1-CB 4.08Å; F156-A163 VanDerWaalsContact CD1-O 3.29Å; F156-A163 WeakPolarHBondContact CD1-O 3.42Å; F156-V165 HydrophobicContact CD1-CB 4.28Å; F156-V165 HydrophobicContact CE1-CB 4.02Å; F156-V165 HydrophobicContact CZ-CB 4.37Å
157K94.6Very high90.2Very high58 Ų5836.8 Ų36.825%0.25219%0.193SC..SBendtrans-57.5-46.2-179.4179.158.9-179.2177.20112.1E103 M104 M105 E106 P164E103-K157 WeakPolarHBondContact OE2-CE 3.48Å; E103-K157 IonicContact OE2-NZ 2.71Å; E103-K157 PolarHBondContact OE2-NZ 3.33Å; M104-K157 PolarHBondContact O-NZ 3.35Å; M105-K157 HydrophobicContact CE-CB 4.27Å; M105-K157 HydrophobicContact SD-CD 3.91Å; E106-K157 PolarHBondContact N-O 3.33Å; K157-P164 HydrophobicContact CB-CG 3.9Å; K157-P164 PolarHBondContact N-O 3.41Å
158D93.1Very high90.5Very high55 Ų5536.3 Ų36.329%0.29419%0.194SC..SBendtrans-155.6-171.5-17858.756.1000111G107 F156 S160 A163G107-D158 VanDerWaalsContact CA-C 3.41Å; G107-D158 WeakPolarHBondContact CA-O 3.4Å; F156-D158 VanDerWaalsContact C-N 3.33Å; F156-D158 PolarHBondContact O-N 2.96Å; D158-S160 WeakPolarHBondContact OD1-CB 3.4Å; D158-S160 PolarHBondContact OD1-N 3.31Å; D158-S160 PolarHBondContact OD1-OG 3.46Å; D158-A163 VanDerWaalsContact O-CB 3.31Å; D158-A163 WeakPolarHBondContact O-CB 3.18Å
159N89.6Confident90.5Very high99 Ų9937 Ų3753%0.52920%0.197SC..SBendtrans-90.411.1-176.9-68.1-60.8000114.3E106 R113E106-N159 PolarHBondContact O-ND2 3.33Å; R113-N159 PolarHBondContact NH1-OD1 3.34Å; R113-N159 PolarHBondContact NH2-O 3.27Å
160S89.6Confident90.5Very high41 Ų4137 Ų3729%0.28720%0.197SC..SBendtrans-66.1162.9169.265.60000111.2R113 D158 D162 A163R113-S160 PolarHBondContact NH2-O 3.02Å; D158-S160 WeakPolarHBondContact OD1-CB 3.4Å; D158-S160 PolarHBondContact OD1-N 3.31Å; D158-S160 PolarHBondContact OD1-OG 3.46Å; S160-D162 WeakPolarHBondContact CB-OD1 3.33Å; S160-D162 PolarHBondContact OG-OD1 2.81Å; S160-A163 WeakPolarHBondContact OG-CA 3.25Å; S160-A163 WeakPolarHBondContact OG-CB 3.26Å; S160-A163 PolarHBondContact OG-N 3.27Å; S160-A163 VanDerWaalsContact OG-N 3.13Å
161L80.3Confident90.4Very high143 Ų14336.3 Ų36.375%0.74920%0.197SC*.SBendtrans-76.3-31.2179.8-73.4169.8000111.8
162D85.5Confident90.3Very high136 Ų13638.3 Ų38.373%0.72721%0.205SC*.SBendtrans-96.89179.759.8-38.7000112.9S160S160-D162 WeakPolarHBondContact CB-OD1 3.33Å; S160-D162 PolarHBondContact OG-OD1 2.81Å
163A92.2Very high90.1Very high5 Ų536.5 Ų36.54%0.04120%0.198CC..PPolyproline II helixtrans-50.6127.5178.300000110.7F156 D158 S160F156-A163 HydrophobicContact CB-CB 4.43Å; F156-A163 HydrophobicContact CD1-CB 4.08Å; F156-A163 VanDerWaalsContact CD1-O 3.29Å; F156-A163 WeakPolarHBondContact CD1-O 3.42Å; D158-A163 VanDerWaalsContact O-CB 3.31Å; D158-A163 WeakPolarHBondContact O-CB 3.18Å; S160-A163 WeakPolarHBondContact OG-CA 3.25Å; S160-A163 WeakPolarHBondContact OG-CB 3.26Å; S160-A163 PolarHBondContact OG-N 3.27Å; S160-A163 VanDerWaalsContact OG-N 3.13Å
164P94.9Very high89.7Confident47 Ų4739.5 Ų39.531%0.30521%0.211SC..PPolyproline II helixtrans-69140.5176.826.6-33.4000110.6Q131 K157Q131-P164 VanDerWaalsContact OE1-CA 3.27Å; K157-P164 HydrophobicContact CB-CG 3.9Å; K157-P164 PolarHBondContact N-O 3.41Å
165V96.4Very high88.9Confident2 Ų241 Ų411%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-81.8136165.664.60000108.9N74 V128 Q131 I132 L154 F156N74-V165 PolarHBondContact ND2-O 2.81Å; V128-V165 HydrophobicContact CG1-CG1 4.19Å; Q131-V165 HydrophobicContact CB-CG1 3.48Å; Q131-V165 VanDerWaalsContact CB-CG1 3.48Å; Q131-V165 HydrophobicContact CG-CG1 4.39Å; I132-V165 HydrophobicContact CG1-CG1 4.03Å; I132-V165 HydrophobicContact CG1-CG2 4.48Å; L154-V165 HydrophobicContact CB-CG2 4.1Å; L154-V165 HydrophobicContact CD2-CG2 4.45Å; F156-V165 HydrophobicContact CD1-CB 4.28Å; F156-V165 HydrophobicContact CE1-CB 4.02Å; F156-V165 HydrophobicContact CZ-CB 4.37Å
166K97.5Very high87.7Confident25 Ų2540 Ų4011%0.10921%0.213CC..EExtended strand (participates in β ladder)trans-128139.4178.4-53.2-165.4176.7-157.90111.7P73 N74 V76 E103 M105 L155P73-K166 WeakPolarHBondContact O-CD 3.34Å; P73-K166 WeakPolarHBondContact O-CE 3.25Å; P73-K166 PolarHBondContact O-NZ 3.31Å; N74-K166 CarbonylContact O-C 3.54Å; N74-K166 VanDerWaalsContact O-CA 3.28Å; N74-K166 WeakPolarHBondContact O-CA 3.46Å; V76-K166 HydrophobicContact CG2-CB 3.9Å; E103-K166 WeakPolarHBondContact OE1-CD 3.47Å; E103-K166 IonicContact OE1-NZ 3.77Å; E103-K166 PolarHBondContact OE1-NZ 2.8Å; E103-K166 IonicContact OE2-NZ 3.57Å; E103-K166 PolarHBondContact OE2-NZ 3.23Å; M105-K166 HydrophobicContact CE-CB 3.74Å; M105-K166 HydrophobicContact CE-CD 3.91Å; M105-K166 HydrophobicContact CE-CG 3.78Å; M105-K166 HydrophobicContact SD-CD 4.13Å; L155-K166 PolarHBondContact N-O 2.75Å; L155-K166 PolarHBondContact O-N 3.29Å
167L96.3Very high85.8Confident2 Ų245.6 Ų45.61%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-78.2135.6171.8-179.662.1000110.5N74 I75 V76 A135 L136 H146 L149 N153 L154N74-L167 PolarHBondContact O-N 3.32Å; I75-L167 HydrophobicContact CG1-CB 4.48Å; V76-L167 PolarHBondContact N-O 3.13Å; A135-L167 HydrophobicContact CB-CB 4.26Å; L136-L167 HydrophobicContact CD2-CD2 4.26Å; H146-L167 HydrophobicContact CB-CD2 4.48Å; L149-L167 HydrophobicContact CD1-CD1 3.67Å; N153-L167 HydrophobicContact CB-CD1 4.48Å; N153-L167 WeakPolarHBondContact O-CA 3.15Å; L154-L167 HydrophobicContact CD2-CB 4.41Å; L154-L167 HydrophobicContact CD2-CD1 4.03Å
168C91.6Very high83.8Confident18 Ų1845 Ų4512%0.12225%0.25CS..  trans-133.2175.3175.676.60000112.1V76 H146 N153V76-C168 HydrophobicContact CB-CB 4.1Å; V76-C168 HydrophobicContact CG2-CB 3.61Å; H146-C168 PolarHBondContact NE2-O 3.04Å; H146-C168 VanDerWaalsContact NE2-O 3.14Å; N153-C168 WeakPolarHBondContact CB-O 3.28Å; N153-C168 PolarHBondContact O-N 3.49Å
169D85.6Confident81.3Confident16 Ų1648.3 Ų48.39%0.08627%0.268CS..  trans63.181.4175.5-159.1-0000117S33 K51 H146 G171S33-D169 WeakPolarHBondContact CB-OD1 3.27Å; S33-D169 PolarHBondContact OG-OD1 3.22Å; S33-D169 PolarHBondContact OG-OD2 3.27Å; K51-D169 IonicContact NZ-OD1 3.83Å; K51-D169 PolarHBondContact NZ-OD1 3.36Å; K51-D169 IonicContact NZ-OD2 3.82Å; H146-D169 PolarHBondContact CE1-O 3.34Å; H146-D169 PolarHBondContact NE2-O 3.37Å; D169-G171 PolarHBondContact O-N 3.27Å; D169-G171 PolarHBondContact OD1-N 3.4Å
170F86.9Confident78.6Confident0 Ų050.8 Ų50.80%028%0.28CS..  trans-8317.6177.7-74.6-113000113.8E62 L65 H66 C69 I75 F172 A173E62-F170 HydrophobicContact CG-CB 4.3Å; L65-F170 HydrophobicContact CB-CD1 4.44Å; H66-F170 HydrophobicContact CB-CB 3.92Å; H66-F170 HydrophobicContact CB-CD1 4.32Å; H66-F170 HydrophobicContact CB-CD2 3.81Å; H66-F170 HydrophobicContact CB-CE2 4.45Å; H66-F170 HydrophobicContact CB-CG 3.75Å; H66-F170 AromaticContact CD2-CD2 3.67Å; H66-F170 AromaticContact CD2-CE2 3.6Å; H66-F170 AromaticContact CG-CD2 3.41Å; H66-F170 VanDerWaalsContact CG-CD2 3.41Å; H66-F170 AromaticContact CG-CE2 3.86Å; H66-F170 AromaticContact CG-CG 3.91Å; H66-F170 AromaticContact ND1-CD2 3.65Å; H66-F170 AromaticContact NE2-CE2 3.92Å; C69-F170 HydrophobicContact CB-CE1 3.96Å; C69-F170 HydrophobicContact CB-CZ 3.95Å; I75-F170 HydrophobicContact CD1-CZ 4.38Å; I75-F170 HydrophobicContact CG2-CE2 3.87Å; I75-F170 HydrophobicContact CG2-CZ 3.89Å; F170-F172 PolarHBondContact O-N 2.94Å; F170-F172 VanDerWaalsContact O-N 3.07Å; F170-A173 HydrophobicContact CB-CB 3.81Å; F170-A173 HydrophobicContact CD1-CB 3.66Å; F170-A173 HydrophobicContact CG-CB 4.14Å; F170-A173 VanDerWaalsContact O-CB 3.26Å; F170-A173 WeakPolarHBondContact O-CB 3.34Å; F170-A173 PolarHBondContact O-N 2.98Å
171G82.5Confident75.9Confident8 Ų854.1 Ų54.18%0.08230%0.299CS..THydrogen-bonded Turntrans-64.2-15.5-174.800000115.8K58 E62 D169K58-G171 WeakPolarHBondContact CE-O 3.27Å; E62-G171 VanDerWaalsContact OE2-CA 3.25Å; E62-G171 WeakPolarHBondContact OE2-CA 3.32Å; D169-G171 PolarHBondContact O-N 3.27Å; D169-G171 PolarHBondContact OD1-N 3.4Å
172F79.8Confident73.8Confident41 Ų4153.7 Ų53.718%0.1830%0.302CS..THydrogen-bonded Turntrans-111.5-1170.9-65-86.3000113.1I32 H146 R147 D148 F170 R341I32-F172 HydrophobicContact CG2-CE2 4.46Å; I32-F172 HydrophobicContact CG2-CZ 4.14Å; H146-F172 CarbonylContact O-C 3.54Å; R147-F172 HydrophobicContact CB-CB 4.41Å; R147-F172 PolarHBondContact NE-O 3.09Å; R147-F172 PolarHBondContact NH2-O 3.44Å; D148-F172 HydrophobicContact CB-CB 3.96Å; D148-F172 HydrophobicContact CB-CD2 3.67Å; D148-F172 HydrophobicContact CB-CG 4.12Å; D148-F172 WeakPolarHBondContact OD2-CD2 3.38Å; F170-F172 PolarHBondContact O-N 2.94Å; F170-F172 VanDerWaalsContact O-N 3.07Å; F172-R341 VanDerWaalsContact CE2-NH1 3.29Å; F172-R341 VanDerWaalsContact CZ-NH1 3.29Å
173A82.3Confident71.3Confident7 Ų752.1 Ų52.16%0.05830%0.3CS..  trans-62.5146.9-17800000110.9L65 I144 A145 H146 F170L65-A173 HydrophobicContact CB-CB 4.42Å; L65-A173 HydrophobicContact CD1-CB 3.93Å; L65-A173 WeakPolarHBondContact CD1-O 3.24Å; I144-A173 HydrophobicContact CG2-CB 4.22Å; A145-A173 VanDerWaalsContact O-CA 3.23Å; A145-A173 WeakPolarHBondContact O-CA 2.99Å; H146-A173 WeakPolarHBondContact O-CA 3.25Å; H146-A173 PolarHBondContact O-N 2.9Å; F170-A173 HydrophobicContact CB-CB 3.81Å; F170-A173 HydrophobicContact CD1-CB 3.66Å; F170-A173 HydrophobicContact CG-CB 4.14Å; F170-A173 VanDerWaalsContact O-CB 3.26Å; F170-A173 WeakPolarHBondContact O-CB 3.34Å; F170-A173 PolarHBondContact O-N 2.98Å
174K80.4Confident68.6Low71 Ų7159.9 Ų59.931%0.30934%0.335SS..EExtended strand (participates in β ladder)trans-144.9141.8-179.6-167.7176.4179.9-1780109.5I144 A145 D176 D344I144-K174 WeakPolarHBondContact CA-O 3.45Å; A145-K174 PolarHBondContact N-O 2.89Å; A145-K174 PolarHBondContact O-N 3.36Å; K174-D176 PolarHBondContact O-N 2.87Å; K174-D344 IonicContact NZ-OD1 2.71Å; K174-D344 PolarHBondContact NZ-OD1 3.39Å; K174-D344 IonicContact NZ-OD2 3.57Å
175I79.3Confident65.4Low33 Ų3367.1 Ų67.117%0.16936%0.362CS..EExtended strand (participates in β ladder)trans-71.4122.9164.5-56-178000106.8L65 N143 I144 Q177L65-I175 HydrophobicContact CD2-CD1 3.73Å; L65-I175 HydrophobicContact CD2-CG1 3.4Å; N143-I175 HydrophobicContact CB-CG2 4.46Å; N143-I175 CarbonylContact O-C 3.52Å; N143-I175 VanDerWaalsContact O-CA 3.31Å; N143-I175 WeakPolarHBondContact O-CA 3.25Å; I144-I175 HydrophobicContact CG1-CG1 4.25Å; I175-Q177 HydrophobicContact CB-CG 3.87Å; I175-Q177 HydrophobicContact CG2-CG 3.55Å; I175-Q177 PolarHBondContact O-N 3.22Å
176D68.6Low62.2Low12 Ų1272.9 Ų72.96%0.06440%0.398CS..  trans-73.878.2171.2-148-16.5000108.5N143 K174 G178N143-D176 PolarHBondContact O-N 3.42Å; K174-D176 PolarHBondContact O-N 2.87Å; D176-G178 PolarHBondContact O-N 3.29Å
177Q55.7Low59.8Low139 Ų13976.3 Ų76.365%0.6542%0.422SS*.  trans-74.8-3.6-174.9-70.3-175.5-8.900113.4I175 D179I175-Q177 HydrophobicContact CB-CG 3.87Å; I175-Q177 HydrophobicContact CG2-CG 3.55Å; I175-Q177 PolarHBondContact O-N 3.22Å; Q177-D179 PolarHBondContact O-N 3.49Å; Q177-D179 VanDerWaalsContact O-N 3.13Å
178G52.5Low56.5Low46 Ų4685.5 Ų85.547%0.47446%0.458SS..  trans57.927.3173.200000115.3D176 L180D176-G178 PolarHBondContact O-N 3.29Å; G178-L180 PolarHBondContact O-N 3.39Å
179D39.2Very low54Low123 Ų12395.2 Ų95.266%0.65849%0.494SS*.SBendtrans-16.6111.8-166-68.4-13.1000116.2Q177Q177-D179 PolarHBondContact O-N 3.49Å; Q177-D179 VanDerWaalsContact O-N 3.13Å
180L33.2Very low51.4Low152 Ų15298.5 Ų98.580%0.79651%0.514SS*.  -143125.294.9-96.3157.6000110.4G178G178-L180 PolarHBondContact O-N 3.39Å
181T33.3Very low48.8Very low111 Ų111100.4 Ų100.468%0.68153%0.53SS*.  trans9.7115.7150.555.10000116.1
182T37.1Very low46.6Very low133 Ų133104.6 Ų104.682%0.81656%0.556SS**  trans-3.8120.3164.5-27.60000115.6
183P32.9Very low44.6Very low103 Ų103108.6 Ų108.667%0.66958%0.575SS**  -124.7125.112614.93.8000109.9F185P183-F185 PolarHBondContact O-N 3.19Å; P183-F185 VanDerWaalsContact O-N 3.07Å
184Q35Very low42.3Very low168 Ų168111.3 Ų111.379%0.78559%0.591SS**  trans-50.1106.4167-66.2165.3-45.300110.3
185F27.5Very low40.4Very low200 Ų200111.3 Ų111.388%0.87759%0.594SS**  trans-153.7131153.4-72.9-64.8000111.8P183P183-F185 PolarHBondContact O-N 3.19Å; P183-F185 VanDerWaalsContact O-N 3.07Å
186T29.5Very low38.5Very low123 Ų123114 Ų11476%0.75561%0.606SS**  trans-82.5148-177.7-54.30000111.3
187P46.9Very low37.1Very low97 Ų97115.9 Ų115.963%0.6362%0.623SS**  trans-113.9157.3-156.539.1-27.4000113.3
188Y27.3Very low36.5Very low195 Ų195114.2 Ų114.277%0.76562%0.615SS**SBendtrans-145.9-16.7157.8-73.7-67.8000118.2
189Y38.7Very low36.4Very low222 Ų222117.6 Ų117.687%0.87161%0.613SS**SBendtrans-145.122.7-168.7-62.7-74.6000118.9
190V31.1Very low36.9Very low85 Ų85119.3 Ų119.352%0.51561%0.611SS.*  trans-110.9117.4-177-168.70000111.9V194 L195V190-V194 HydrophobicContact CG1-CB 3.74Å; V190-V194 HydrophobicContact CG1-CG1 3.71Å; V190-L195 HydrophobicContact CB-CD2 4.34Å; V190-L195 HydrophobicContact CB-CG 4.42Å; V190-L195 HydrophobicContact CG1-CD2 3.78Å; V190-L195 HydrophobicContact CG1-CG 3.76Å
191A32.5Very low37.4Very low40 Ų40118 Ų11833%0.33160%0.6SS.*  trans-65.7144.9177.300000111.6Q193 V194 L195A191-Q193 PolarHBondContact O-N 2.76Å; A191-Q193 VanDerWaalsContact O-N 3.08Å; A191-V194 HydrophobicContact CB-CG2 4.25Å; A191-V194 WeakPolarHBondContact O-CB 3.49Å; A191-V194 PolarHBondContact O-N 3.44Å; A191-L195 PolarHBondContact O-N 2.75Å
192P35.4Very low37.9Very low95 Ų95119.3 Ų119.362%0.61760%0.599SS**Hα-helixtrans-52.4-35.9-175.3-27.434.2000114.5L195 E196P192-L195 PolarHBondContact O-N 3.25Å; P192-E196 PolarHBondContact O-N 3.05Å
193Q38.6Very low38.3Very low125 Ų125120.4 Ų120.458%0.58459%0.592SS**Hα-helixtrans-71-26177.765.2-92.628.600114.3A191 E196 A197A191-Q193 PolarHBondContact O-N 2.76Å; A191-Q193 VanDerWaalsContact O-N 3.08Å; Q193-E196 WeakPolarHBondContact O-CB 3.17Å; Q193-E196 PolarHBondContact O-N 2.95Å; Q193-A197 PolarHBondContact O-N 2.65Å
194V33.6Very low38.9Very low65 Ų65123.1 Ų123.139%0.39460%0.596SS.*Hα-helixtrans-74.3-38178177.10000110.1V190 A191 E196 A197 Q198V190-V194 HydrophobicContact CG1-CB 3.74Å; V190-V194 HydrophobicContact CG1-CG1 3.71Å; A191-V194 HydrophobicContact CB-CG2 4.25Å; A191-V194 WeakPolarHBondContact O-CB 3.49Å; A191-V194 PolarHBondContact O-N 3.44Å; V194-E196 PolarHBondContact O-N 2.9Å; V194-A197 PolarHBondContact O-N 3.24Å; V194-Q198 WeakPolarHBondContact O-CG 3.11Å; V194-Q198 PolarHBondContact O-N 3.18Å; V194-Q198 VanDerWaalsContact O-N 3.09Å
195L40.3Very low39.1Very low71 Ų71123.9 Ų123.937%0.37260%0.597SS.*Hα-helixtrans-62.8-35.5169.8-63.1171.8000110.9V190 A191 P192 R199V190-L195 HydrophobicContact CB-CD2 4.34Å; V190-L195 HydrophobicContact CB-CG 4.42Å; V190-L195 HydrophobicContact CG1-CD2 3.78Å; V190-L195 HydrophobicContact CG1-CG 3.76Å; A191-L195 PolarHBondContact O-N 2.75Å; P192-L195 PolarHBondContact O-N 3.25Å; L195-R199 WeakPolarHBondContact O-CB 3.42Å; L195-R199 WeakPolarHBondContact O-CG 3.49Å; L195-R199 PolarHBondContact O-N 3.26Å; L195-R199 PolarHBondContact O-NE 2.9Å
196E40.6Very low39.9Very low89 Ų89117.8 Ų117.842%0.41658%0.578SS.*Hα-helixtrans-69-36.9177.5-163.5176.5169.300113.6P192 Q193 V194 R199 R200P192-E196 PolarHBondContact O-N 3.05Å; Q193-E196 WeakPolarHBondContact O-CB 3.17Å; Q193-E196 PolarHBondContact O-N 2.95Å; V194-E196 PolarHBondContact O-N 2.9Å; E196-R199 WeakPolarHBondContact O-CB 3Å; E196-R200 PolarHBondContact O-N 3.09Å; E196-R200 IonicContact OE1-NH2 3.49Å
197A39.4Very low40.5Very low51 Ų51115.5 Ų115.542%0.42158%0.58SS.*Hα-helixtrans-70.9-39.2174.600000112.6Q193 V194 R199 R200 H201Q193-A197 PolarHBondContact O-N 2.65Å; V194-A197 PolarHBondContact O-N 3.24Å; A197-R199 VanDerWaalsContact C-N 3.35Å; A197-R200 PolarHBondContact O-N 3.48Å; A197-H201 PolarHBondContact O-N 3.48Å
198Q42.5Very low40.2Very low104 Ų104117.5 Ų117.549%0.48658%0.584SS.*Hα-helixtrans-67.3-34.5175.6-73.2176-22.200112.2V194 R200 H201 Q202V194-Q198 WeakPolarHBondContact O-CG 3.11Å; V194-Q198 PolarHBondContact O-N 3.18Å; V194-Q198 VanDerWaalsContact O-N 3.09Å; Q198-R200 VanDerWaalsContact C-N 3.29Å; Q198-R200 PolarHBondContact O-N 2.62Å; Q198-H201 PolarHBondContact O-N 2.93Å; Q198-Q202 PolarHBondContact O-N 3.36Å; Q198-Q202 VanDerWaalsContact O-N 3.08Å
199R50.9Low40.8Very low117 Ų117115.5 Ų115.544%0.44258%0.584SS.*Hα-helixtrans-59.4-33171.9-78.4170.4-138.6163.30.5113.5L195 E196 A197L195-R199 WeakPolarHBondContact O-CB 3.42Å; L195-R199 WeakPolarHBondContact O-CG 3.49Å; L195-R199 PolarHBondContact O-N 3.26Å; L195-R199 PolarHBondContact O-NE 2.9Å; E196-R199 WeakPolarHBondContact O-CB 3Å; A197-R199 VanDerWaalsContact C-N 3.35Å
200R49Very low40.9Very low159 Ų159108.7 Ų108.760%0.657%0.568SS**Hα-helixtrans-73.1-45.6175.5-71.9-174.4177106.13.7111.2E196 A197 Q198 Q202 K203E196-R200 PolarHBondContact O-N 3.09Å; E196-R200 IonicContact OE1-NH2 3.49Å; A197-R200 PolarHBondContact O-N 3.48Å; Q198-R200 VanDerWaalsContact C-N 3.29Å; Q198-R200 PolarHBondContact O-N 2.62Å; R200-Q202 PolarHBondContact O-N 2.83Å; R200-K203 PolarHBondContact O-N 3.22Å
201H44.1Very low41.3Very low126 Ų126111.3 Ų111.358%0.58358%0.584SS**Hα-helixtrans-67.2-29.6-178.8-97.379.7000114.8A197 Q198A197-H201 PolarHBondContact O-N 3.48Å; Q198-H201 PolarHBondContact O-N 2.93Å
202Q42.8Very low41.6Very low138 Ų138112.8 Ų112.865%0.64559%0.592SS**Hα-helixtrans-78.4-27179.9-76.4178.1-2.800113.5Q198 R200 K205 S206Q198-Q202 PolarHBondContact O-N 3.36Å; Q198-Q202 VanDerWaalsContact O-N 3.08Å; R200-Q202 PolarHBondContact O-N 2.83Å; Q202-K205 PolarHBondContact O-N 3.05Å; Q202-S206 PolarHBondContact O-OG 3.14Å
203K44.9Very low41.9Very low156 Ų156112.4 Ų112.468%0.67859%0.589SS**Hα-helixtrans-73.1-26.3177.4-74.2-178.2178-1770113.2R200 K205R200-K203 PolarHBondContact O-N 3.22Å; K203-K205 VanDerWaalsContact C-N 3.3Å
204E45.9Very low42.4Very low159 Ų159109.6 Ų109.674%0.74358%0.581SS**THydrogen-bonded Turntrans-74.7-19.9174.5-70.4174.5171.900112.8
205K40Very low43.2Very low185 Ų185109.9 Ų109.980%0.80458%0.584SS**THydrogen-bonded Turntrans-100.4-16.5-173-76.4-173.3175.4-177.10116Q202 K203Q202-K205 PolarHBondContact O-N 3.05Å; K203-K205 VanDerWaalsContact C-N 3.3Å
206S43.6Very low43.6Very low71 Ų71111.6 Ų111.650%0.49759%0.587SS.*SBendtrans-103.5-5-167.862.60000116.9Q202 I208Q202-S206 PolarHBondContact O-OG 3.14Å; S206-I208 PolarHBondContact O-N 3.24Å
207G42.8Very low44.5Very low76 Ų76110.5 Ų110.578%0.78459%0.586SS**  trans61.34.6169.200000117.1
208I39.4Very low45.8Very low138 Ų138110.5 Ų110.571%0.70858%0.575SS**  trans-92.4126.3177-65.1165000107.8S206 P210S206-I208 PolarHBondContact O-N 3.24Å; I208-P210 VanDerWaalsContact O-CD 3.26Å; I208-P210 WeakPolarHBondContact O-CD 3.31Å
209I40.6Very low47.2Very low153 Ų153106.2 Ų106.279%0.78556%0.556SS**  trans-104.8100.9178.5-54173.3000108.8T211I209-T211 PolarHBondContact O-N 3.2Å
210P40.5Very low48.7Very low80 Ų80102 Ų10252%0.51954%0.541SS..  trans-61.5129.1159.5-14.928.5000108.4I208 S212I208-P210 VanDerWaalsContact O-CD 3.26Å; I208-P210 WeakPolarHBondContact O-CD 3.31Å; P210-S212 PolarHBondContact O-N 3.43Å; P210-S212 VanDerWaalsContact O-N 3.1Å
211T40.1Very low50.3Low139 Ų13994.7 Ų94.785%0.85351%0.514SS*.SBendtrans-68.8-5.2177.848.10000113.5I209I209-T211 PolarHBondContact O-N 3.2Å
212S37.7Very low52.1Low71 Ų7189.2 Ų89.250%0.49749%0.489SS..  trans-150.8103.6162.7-170.60000110.1P210 T214P210-S212 PolarHBondContact O-N 3.43Å; P210-S212 VanDerWaalsContact O-N 3.1Å; S212-T214 VanDerWaalsContact C-N 3.31Å; S212-T214 PolarHBondContact O-N 3.31Å; S212-T214 VanDerWaalsContact O-N 3.12Å
213P42.2Very low54.3Low87 Ų8782.6 Ų82.657%0.56546%0.459SS*.  trans-77.789163.130.6-27.4000106.6P215P213-P215 WeakPolarHBondContact O-CD 3.31Å
214T49.4Very low56.5Low66 Ų6675.6 Ų75.641%0.40543%0.429SS..  trans-63.9120.7169.154.30000107.5S212 Y216 I342S212-T214 VanDerWaalsContact C-N 3.31Å; S212-T214 PolarHBondContact O-N 3.31Å; S212-T214 VanDerWaalsContact O-N 3.12Å; T214-Y216 PolarHBondContact O-N 3.4Å; T214-I342 HydrophobicContact CG2-CD1 3.64Å
215P50.6Low58.6Low72 Ų7268.3 Ų68.347%0.46839%0.394SS..  trans-59.7142.3174.3-19.631.1000108.9P213 T217 Y218P213-P215 WeakPolarHBondContact O-CD 3.31Å; P215-T217 PolarHBondContact O-N 3.41Å; P215-Y218 WeakPolarHBondContact O-CB 3.49Å; P215-Y218 PolarHBondContact O-N 3.39Å
216Y49.1Very low61Low107 Ų10759.5 Ų59.542%0.4236%0.356SS..THydrogen-bonded Turntrans-48.5-13.6175170.7-100.3000114.8N143 T214N143-Y216 PolarHBondContact OD1-OH 2.82Å; T214-Y216 PolarHBondContact O-N 3.4Å
217T59.3Low63.5Low65 Ų6556.1 Ų56.140%0.39933%0.332SS..THydrogen-bonded Turntrans-104.5-8.5-179.754.80000113.7P215 N219 S221P215-T217 PolarHBondContact O-N 3.41Å; T217-N219 PolarHBondContact O-N 3.39Å; T217-S221 WeakPolarHBondContact O-CB 3.08Å; T217-S221 PolarHBondContact O-N 2.73Å; T217-S221 PolarHBondContact O-OG 3.35Å
218Y66.1Low65.9Low51 Ų5152.5 Ų52.520%0.230%0.295CS..Hα-helixtrans-63.9-49.3-170.5-172.7-90.9000112P215 S221 C222 P289 M340 I342P215-Y218 WeakPolarHBondContact O-CB 3.49Å; P215-Y218 PolarHBondContact O-N 3.39Å; Y218-S221 WeakPolarHBondContact CA-OG 3.25Å; Y218-S221 PolarHBondContact O-N 3.36Å; Y218-S221 PolarHBondContact O-OG 2.48Å; Y218-C222 WeakPolarHBondContact CE1-SG 3.41Å; Y218-C222 PolarHBondContact O-N 3.23Å; Y218-C222 PolarHBondContact O-SG 2.8Å; Y218-P289 HydrophobicContact CD2-CG 3.98Å; Y218-P289 HydrophobicContact CE2-CG 4.28Å; Y218-M340 PolarHBondContact OH-O 3.35Å; Y218-I342 HydrophobicContact CD1-CD1 3.7Å; Y218-I342 HydrophobicContact CD1-CG1 4.31Å; Y218-I342 HydrophobicContact CE1-CD1 3.4Å; Y218-I342 VanDerWaalsContact CE1-CD1 3.4Å; Y218-I342 HydrophobicContact CE1-CG1 3.61Å; Y218-I342 HydrophobicContact CE2-CD1 4.35Å; Y218-I342 HydrophobicContact CG-CD1 4.29Å
219N72Confident68.4Low15 Ų1546 Ų468%0.0826%0.261CS..Hα-helixtrans-64.1-46.9-177.5-65-50.7000111.8A145 R147 T217 S221 C222 D223A145-N219 HydrophobicContact CB-CB 3.57Å; R147-N219 WeakPolarHBondContact CD-OD1 3.13Å; R147-N219 HydrophobicContact CG-CB 4.29Å; T217-N219 PolarHBondContact O-N 3.39Å; N219-S221 VanDerWaalsContact C-N 3.29Å; N219-S221 PolarHBondContact O-N 3Å; N219-C222 WeakPolarHBondContact O-CB 3.49Å; N219-C222 PolarHBondContact O-N 2.99Å; N219-D223 PolarHBondContact O-N 2.92Å
220K83Confident70.9Confident29 Ų2938.7 Ų38.713%0.12622%0.224CC..Hα-helixtrans-61.9-38.5174.3-65.5-179.2-174.7-176.90111.5H140 N143 A145 C222 D223 L224H140-K220 HydrophobicContact CB-CD 4.2Å; H140-K220 PolarHBondContact CE1-O 2.91Å; H140-K220 PolarHBondContact O-NZ 3.47Å; N143-K220 PolarHBondContact OD1-NZ 3.02Å; A145-K220 HydrophobicContact CB-CG 4.25Å; K220-C222 VanDerWaalsContact C-N 3.29Å; K220-C222 PolarHBondContact O-N 3.29Å; K220-D223 WeakPolarHBondContact O-CB 3.5Å; K220-D223 PolarHBondContact O-N 2.95Å; K220-L224 WeakPolarHBondContact O-CG 3.4Å; K220-L224 PolarHBondContact O-N 3.36Å
221S82.2Confident73.5Confident5 Ų534.9 Ų34.94%0.03520%0.199CC..Hα-helixtrans-65.8-30.7177.182.90000112.5T217 Y218 N219 D223 L224 W225 P289 R292T217-S221 WeakPolarHBondContact O-CB 3.08Å; T217-S221 PolarHBondContact O-N 2.73Å; T217-S221 PolarHBondContact O-OG 3.35Å; Y218-S221 WeakPolarHBondContact CA-OG 3.25Å; Y218-S221 PolarHBondContact O-N 3.36Å; Y218-S221 PolarHBondContact O-OG 2.48Å; N219-S221 VanDerWaalsContact C-N 3.29Å; N219-S221 PolarHBondContact O-N 3Å; S221-D223 VanDerWaalsContact C-N 3.33Å; S221-L224 PolarHBondContact O-N 3.29Å; S221-W225 PolarHBondContact O-N 3.39Å; S221-P289 WeakPolarHBondContact OG-CB 3.47Å; S221-R292 PolarHBondContact O-NH1 2.9Å; S221-R292 PolarHBondContact OG-NH1 3.4Å
222C82.4Confident76Confident10 Ų1028.4 Ų28.47%0.06816%0.16CC..Hα-helixtrans-62.1-42.3174.1-67.30000111Y218 N219 K220 L224 W225 S226Y218-C222 WeakPolarHBondContact CE1-SG 3.41Å; Y218-C222 PolarHBondContact O-N 3.23Å; Y218-C222 PolarHBondContact O-SG 2.8Å; N219-C222 WeakPolarHBondContact O-CB 3.49Å; N219-C222 PolarHBondContact O-N 2.99Å; K220-C222 VanDerWaalsContact C-N 3.29Å; K220-C222 PolarHBondContact O-N 3.29Å; C222-L224 VanDerWaalsContact C-N 3.27Å; C222-L224 PolarHBondContact O-N 2.89Å; C222-W225 PolarHBondContact O-N 2.89Å; C222-S226 PolarHBondContact O-N 2.9Å; C222-S226 PolarHBondContact O-OG 2.97Å
223D88.3Confident78.6Confident0 Ų025 Ų250%014%0.136CC..Hα-helixtrans-59.6-41.2175-64.2-28.1000111.1L136 H140 H146 R147 L149 N219 K220 S221 S226 L227L136-D223 HydrophobicContact CD1-CB 4.46Å; L136-D223 HydrophobicContact CD2-CB 4.01Å; H140-D223 IonicContact CD2-OD2 3.93Å; H140-D223 IonicContact CE1-OD2 2.75Å; H140-D223 IonicContact NE2-OD2 2.6Å; H140-D223 PolarHBondContact NE2-OD2 3.12Å; H146-D223 PolarHBondContact N-OD2 3.41Å; R147-D223 WeakPolarHBondContact CA-OD1 3.27Å; R147-D223 PolarHBondContact N-OD1 3.46Å; L149-D223 WeakPolarHBondContact CD2-O 3.27Å; N219-D223 PolarHBondContact O-N 2.92Å; K220-D223 WeakPolarHBondContact O-CB 3.5Å; K220-D223 PolarHBondContact O-N 2.95Å; S221-D223 VanDerWaalsContact C-N 3.33Å; D223-S226 PolarHBondContact O-N 3.17Å; D223-L227 WeakPolarHBondContact O-CB 3.48Å; D223-L227 PolarHBondContact O-N 3.15Å
224L92.3Very high81Confident9 Ų920.9 Ų20.95%0.04711%0.109CC..Hα-helixtrans-70.1-35.6179.8-61.1174000112.5K220 S221 C222 L227 G228 L284 R292 L293 I295 V298K220-L224 WeakPolarHBondContact O-CG 3.4Å; K220-L224 PolarHBondContact O-N 3.36Å; S221-L224 PolarHBondContact O-N 3.29Å; C222-L224 VanDerWaalsContact C-N 3.27Å; C222-L224 PolarHBondContact O-N 2.89Å; L224-L227 WeakPolarHBondContact O-CB 3.47Å; L224-L227 PolarHBondContact O-N 3.35Å; L224-G228 PolarHBondContact O-N 3.39Å; L224-L284 HydrophobicContact CB-CD2 3.94Å; L224-L284 HydrophobicContact CD2-CD2 4.47Å; L224-L284 WeakPolarHBondContact O-CD2 3.41Å; L224-R292 HydrophobicContact CB-CG 4.44Å; L224-L293 WeakPolarHBondContact CD1-O 3.26Å; L224-I295 HydrophobicContact CD2-CB 4.05Å; L224-I295 HydrophobicContact CD2-CD1 3.7Å; L224-I295 HydrophobicContact CD2-CG1 4.43Å; L224-V298 HydrophobicContact CD2-CG2 4.4Å
225W89.3Confident83.1Confident5 Ų517.8 Ų17.82%0.0199%0.09CC..Hα-helixtrans-62.4-49.2171.1177.1-79.4000111.1S221 C222 L227 G228 V229 F241 I258 L285 K286 M340S221-W225 PolarHBondContact O-N 3.39Å; C222-W225 PolarHBondContact O-N 2.89Å; W225-L227 VanDerWaalsContact C-N 3.26Å; W225-L227 PolarHBondContact O-N 3.13Å; W225-G228 WeakPolarHBondContact O-CA 3.4Å; W225-G228 PolarHBondContact O-N 2.83Å; W225-V229 PolarHBondContact O-N 3.44Å; W225-F241 HydrophobicContact CH2-CE2 4.3Å; W225-F241 AromaticContact CH2-CZ 3.76Å; W225-F241 HydrophobicContact CH2-CZ 3.76Å; W225-F241 HydrophobicContact CZ2-CE1 4.48Å; W225-F241 AromaticContact CZ2-CE2 3.51Å; W225-F241 HydrophobicContact CZ2-CE2 3.51Å; W225-F241 AromaticContact CZ2-CZ 3.43Å; W225-F241 HydrophobicContact CZ2-CZ 3.43Å; W225-F241 VanDerWaalsContact CZ2-CZ 3.43Å; W225-I258 HydrophobicContact CZ2-CG2 4.17Å; W225-L285 HydrophobicContact CD2-CD2 3.93Å; W225-L285 HydrophobicContact CE3-CD2 4.21Å; W225-L285 HydrophobicContact CG-CD2 4.32Å; W225-L285 HydrophobicContact CZ2-CD2 4.38Å; W225-L285 HydrophobicContact CZ3-CB 4.45Å; W225-L285 WeakPolarHBondContact CZ3-O 3.44Å; W225-K286 WeakPolarHBondContact CZ3-O 3.22Å; W225-M340 HydrophobicContact CB-CE 3.93Å; W225-M340 HydrophobicContact CD2-CE 3.75Å; W225-M340 HydrophobicContact CD2-SD 4.06Å; W225-M340 HydrophobicContact CE3-CE 4.39Å; W225-M340 HydrophobicContact CG-CE 3.51Å; W225-M340 HydrophobicContact CG-SD 3.84Å; W225-M340 HydrophobicContact CZ2-SD 4.45Å; W225-M340 PolarHBondContact NE1-SD 2.85Å; W225-M340 VanDerWaalsContact NE1-SD 3.36Å
226S90.4Very high84.9Confident1 Ų114.3 Ų14.31%0.0077%0.067CC..Hα-helixtrans-59.2-38.2176.8-74.10000112.4L149 C222 D223 G228 V229 I230 L337L149-S226 VanDerWaalsContact O-CB 3.27Å; L149-S226 WeakPolarHBondContact O-CB 3.36Å; L149-S226 PolarHBondContact O-OG 2.83Å; C222-S226 PolarHBondContact O-N 2.9Å; C222-S226 PolarHBondContact O-OG 2.97Å; D223-S226 PolarHBondContact O-N 3.17Å; S226-G228 VanDerWaalsContact C-N 3.33Å; S226-G228 PolarHBondContact O-N 2.72Å; S226-V229 PolarHBondContact O-N 3.28Å; S226-I230 WeakPolarHBondContact O-CD1 3.33Å; S226-I230 VanDerWaalsContact O-CG1 3.27Å; S226-I230 WeakPolarHBondContact O-CG1 3.45Å; S226-I230 PolarHBondContact O-N 3.22Å; S226-L337 WeakPolarHBondContact OG-CD2 3.09Å
227L95.6Very high86.8Confident0 Ų09.2 Ų9.20%05%0.047CC..Hα-helixtrans-59.8-44.9172.8-177.562.9000111T129 I132 L136 L149 D223 L224 W225 V229 I230 I231 L284 V298T129-L227 HydrophobicContact CG2-CD1 4.26Å; I132-L227 HydrophobicContact CB-CD1 4.25Å; I132-L227 HydrophobicContact CG2-CD1 3.74Å; L136-L227 HydrophobicContact CD1-CB 4.45Å; L136-L227 HydrophobicContact CD1-CD2 4.23Å; L149-L227 HydrophobicContact CD2-CB 4.04Å; D223-L227 WeakPolarHBondContact O-CB 3.48Å; D223-L227 PolarHBondContact O-N 3.15Å; L224-L227 WeakPolarHBondContact O-CB 3.47Å; L224-L227 PolarHBondContact O-N 3.35Å; W225-L227 VanDerWaalsContact C-N 3.26Å; W225-L227 PolarHBondContact O-N 3.13Å; L227-V229 VanDerWaalsContact C-N 3.35Å; L227-V229 PolarHBondContact O-N 3.46Å; L227-I230 PolarHBondContact O-N 3.46Å; L227-I231 HydrophobicContact CD1-CD1 4.29Å; L227-I231 HydrophobicContact CD1-CG1 4.43Å; L227-I231 HydrophobicContact CG-CD1 3.9Å; L227-I231 HydrophobicContact CG-CG1 4.49Å; L227-I231 WeakPolarHBondContact O-CD1 3.37Å; L227-I231 WeakPolarHBondContact O-CG1 3.37Å; L227-I231 PolarHBondContact O-N 3.18Å; L227-L284 HydrophobicContact CD2-CD1 4.34Å; L227-L284 HydrophobicContact CG-CD1 4.27Å; L227-V298 HydrophobicContact CD2-CG1 4.04Å
228G94.6Very high87.9Confident0 Ų08 Ų80%04%0.036CC..Hα-helixtrans-59.3-41.817500000113.3L224 W225 S226 I231 Y232L224-G228 PolarHBondContact O-N 3.39Å; W225-G228 WeakPolarHBondContact O-CA 3.4Å; W225-G228 PolarHBondContact O-N 2.83Å; S226-G228 VanDerWaalsContact C-N 3.33Å; S226-G228 PolarHBondContact O-N 2.72Å; G228-I231 PolarHBondContact O-N 3.14Å; G228-Y232 WeakPolarHBondContact O-CB 3.02Å; G228-Y232 PolarHBondContact O-N 2.97Å
229V90.6Very high88.7Confident0 Ų06 Ų60%03%0.029CC..Hα-helixtrans-64.4-44.5175.8174.40000111W225 S226 L227 Y232 I233 P240 F241 L285W225-V229 PolarHBondContact O-N 3.44Å; S226-V229 PolarHBondContact O-N 3.28Å; L227-V229 VanDerWaalsContact C-N 3.35Å; L227-V229 PolarHBondContact O-N 3.46Å; V229-Y232 PolarHBondContact O-N 2.85Å; V229-I233 HydrophobicContact CG1-CD1 3.67Å; V229-I233 WeakPolarHBondContact O-CD1 3.41Å; V229-I233 VanDerWaalsContact O-CG1 3.26Å; V229-I233 WeakPolarHBondContact O-CG1 3.27Å; V229-I233 PolarHBondContact O-N 3.08Å; V229-P240 HydrophobicContact CG1-CG 4.43Å; V229-P240 HydrophobicContact CG2-CG 4.26Å; V229-F241 HydrophobicContact CG2-CE2 4.39Å; V229-L285 HydrophobicContact CG2-CD2 3.8Å
230I93.1Very high89Confident0 Ų05.7 Ų5.70%03%0.028CC..Hα-helixtrans-63.3-44.3178.2-69.1162.2000110.7L110 F111 L149 L154 S226 L227 I233 M234L110-I230 HydrophobicContact CD2-CG2 3.79Å; F111-I230 HydrophobicContact CE1-CG2 4.46Å; F111-I230 HydrophobicContact CZ-CG2 4.46Å; L149-I230 HydrophobicContact CD2-CD1 4.12Å; L149-I230 HydrophobicContact CG-CD1 3.82Å; L154-I230 HydrophobicContact CD1-CD1 3.85Å; L154-I230 HydrophobicContact CD1-CG2 4.36Å; S226-I230 WeakPolarHBondContact O-CD1 3.33Å; S226-I230 VanDerWaalsContact O-CG1 3.27Å; S226-I230 WeakPolarHBondContact O-CG1 3.45Å; S226-I230 PolarHBondContact O-N 3.22Å; L227-I230 PolarHBondContact O-N 3.46Å; I230-I233 PolarHBondContact O-N 3.42Å; I230-M234 HydrophobicContact CG2-CE 4.11Å; I230-M234 HydrophobicContact CG2-CG 4.29Å; I230-M234 HydrophobicContact CG2-SD 4.31Å; I230-M234 WeakPolarHBondContact O-CB 3.33Å; I230-M234 VanDerWaalsContact O-CG 3.31Å; I230-M234 WeakPolarHBondContact O-CG 3.41Å; I230-M234 PolarHBondContact O-N 3.3Å
231I95.4Very high88.5Confident0 Ų04.5 Ų4.50%02%0.022CC..Hα-helixtrans-59.8-49176.2-65.3161.5000110.5T129 L227 G228 I233 M234 L235 V281 L284 W303T129-I231 HydrophobicContact CG2-CD1 3.58Å; T129-I231 HydrophobicContact CG2-CG1 3.8Å; L227-I231 HydrophobicContact CD1-CD1 4.29Å; L227-I231 HydrophobicContact CD1-CG1 4.43Å; L227-I231 HydrophobicContact CG-CD1 3.9Å; L227-I231 HydrophobicContact CG-CG1 4.49Å; L227-I231 WeakPolarHBondContact O-CD1 3.37Å; L227-I231 WeakPolarHBondContact O-CG1 3.37Å; L227-I231 PolarHBondContact O-N 3.18Å; G228-I231 PolarHBondContact O-N 3.14Å; I231-I233 VanDerWaalsContact C-N 3.3Å; I231-I233 PolarHBondContact O-N 3.37Å; I231-M234 HydrophobicContact CG1-CE 4.22Å; I231-M234 PolarHBondContact O-N 3.08Å; I231-L235 HydrophobicContact CG2-CD1 3.75Å; I231-L235 HydrophobicContact CG2-CG 4.29Å; I231-L235 VanDerWaalsContact O-CG 3.27Å; I231-L235 WeakPolarHBondContact O-CG 3.4Å; I231-L235 PolarHBondContact O-N 3.45Å; I231-V281 HydrophobicContact CB-CG2 4.09Å; I231-V281 HydrophobicContact CG2-CG2 3.51Å; I231-L284 HydrophobicContact CD1-CD1 3.56Å; I231-W303 HydrophobicContact CG1-CZ3 4.5Å; I231-W303 HydrophobicContact CG2-CH2 3.92Å; I231-W303 HydrophobicContact CG2-CZ3 4Å
232Y93.4Very high87.5Confident4 Ų49.3 Ų9.32%0.0164%0.041CC..Hα-helixtrans-53.8-49.5178.2-172.9-75.8000111G228 V229 L235 C236 Y238 P240 F263 D264 F265 W270 V281G228-Y232 WeakPolarHBondContact O-CB 3.02Å; G228-Y232 PolarHBondContact O-N 2.97Å; V229-Y232 PolarHBondContact O-N 2.85Å; Y232-L235 PolarHBondContact O-N 3.13Å; Y232-C236 VanDerWaalsContact CD1-SG 3.52Å; Y232-C236 WeakPolarHBondContact CE1-SG 3.43Å; Y232-C236 PolarHBondContact O-N 3.25Å; Y232-C236 PolarHBondContact O-SG 3.07Å; Y232-Y238 WeakPolarHBondContact CD1-O 3.21Å; Y232-Y238 AromaticContact CE1-CD2 3.82Å; Y232-Y238 HydrophobicContact CE1-CD2 3.82Å; Y232-Y238 AromaticContact CE1-CE2 3.71Å; Y232-Y238 HydrophobicContact CE1-CE2 3.71Å; Y232-Y238 WeakPolarHBondContact CE1-O 3.48Å; Y232-Y238 AromaticContact CZ-CE2 3.98Å; Y232-Y238 WeakPolarHBondContact OH-CE2 3.48Å; Y232-P240 HydrophobicContact CD1-CB 3.88Å; Y232-P240 HydrophobicContact CD1-CG 4.16Å; Y232-P240 HydrophobicContact CD2-CB 3.77Å; Y232-P240 HydrophobicContact CD2-CG 4.43Å; Y232-P240 HydrophobicContact CE1-CB 3.97Å; Y232-P240 HydrophobicContact CE2-CB 3.89Å; Y232-P240 HydrophobicContact CG-CB 3.8Å; Y232-P240 HydrophobicContact CG-CG 4.05Å; Y232-F263 HydrophobicContact CD2-CD2 4.31Å; Y232-F263 AromaticContact CE2-CD2 3.95Å; Y232-F263 HydrophobicContact CE2-CD2 3.95Å; Y232-D264 PolarHBondContact OH-O 3.38Å; Y232-F265 HydrophobicContact CD2-CD1 4.49Å; Y232-F265 HydrophobicContact CD2-CE1 4.05Å; Y232-F265 AromaticContact CE2-CD1 3.89Å; Y232-F265 HydrophobicContact CE2-CD1 3.89Å; Y232-F265 AromaticContact CE2-CE1 3.84Å; Y232-F265 HydrophobicContact CE2-CE1 3.84Å; Y232-W270 AromaticContact CD1-CZ2 3.98Å; Y232-W270 HydrophobicContact CD1-CZ2 3.98Å; Y232-W270 AromaticContact CD2-CH2 3.79Å; Y232-W270 HydrophobicContact CD2-CH2 3.79Å; Y232-W270 AromaticContact CD2-CZ2 3.57Å; Y232-W270 HydrophobicContact CD2-CZ2 3.57Å; Y232-W270 AromaticContact CE1-CZ2 3.86Å; Y232-W270 HydrophobicContact CE1-CZ2 3.86Å; Y232-W270 HydrophobicContact CE2-CH2 4Å; Y232-W270 AromaticContact CE2-CZ2 3.4Å; Y232-W270 HydrophobicContact CE2-CZ2 3.4Å; Y232-W270 VanDerWaalsContact CE2-CZ2 3.4Å; Y232-W270 HydrophobicContact CG-CH2 4.13Å; Y232-W270 AromaticContact CG-CZ2 3.84Å; Y232-W270 HydrophobicContact CG-CZ2 3.84Å; Y232-W270 AromaticContact CZ-CZ2 3.55Å; Y232-V281 HydrophobicContact CD2-CG1 3.85Å
233I91.2Very high86.1Confident0 Ų09.5 Ų9.50%04%0.042CC..Hα-helixtrans-66.1-40.2-179.8-64.5161000111.8F111 V229 I230 I231 L235 G237 Y238 P239 M320 I329F111-I233 HydrophobicContact CD1-CG2 4.49Å; F111-I233 HydrophobicContact CD2-CG2 4.2Å; F111-I233 HydrophobicContact CE1-CB 4.32Å; F111-I233 HydrophobicContact CE1-CG2 3.82Å; F111-I233 HydrophobicContact CE2-CB 4.17Å; F111-I233 HydrophobicContact CE2-CD1 4.12Å; F111-I233 HydrophobicContact CE2-CG2 3.44Å; F111-I233 VanDerWaalsContact CE2-CG2 3.44Å; F111-I233 HydrophobicContact CZ-CB 3.64Å; F111-I233 HydrophobicContact CZ-CD1 4.13Å; F111-I233 HydrophobicContact CZ-CG1 4.5Å; F111-I233 HydrophobicContact CZ-CG2 3.25Å; V229-I233 HydrophobicContact CG1-CD1 3.67Å; V229-I233 WeakPolarHBondContact O-CD1 3.41Å; V229-I233 VanDerWaalsContact O-CG1 3.26Å; V229-I233 WeakPolarHBondContact O-CG1 3.27Å; V229-I233 PolarHBondContact O-N 3.08Å; I230-I233 PolarHBondContact O-N 3.42Å; I231-I233 VanDerWaalsContact C-N 3.3Å; I231-I233 PolarHBondContact O-N 3.37Å; I233-L235 PolarHBondContact O-N 3.36Å; I233-G237 VanDerWaalsContact O-CA 3.28Å; I233-G237 WeakPolarHBondContact O-CA 3.42Å; I233-G237 PolarHBondContact O-N 3.38Å; I233-Y238 WeakPolarHBondContact CG1-O 3.43Å; I233-P239 HydrophobicContact CD1-CB 4.22Å; I233-P239 HydrophobicContact CG1-CB 4.26Å; I233-M320 HydrophobicContact CG2-CE 3.41Å; I233-M320 VanDerWaalsContact CG2-CE 3.41Å; I233-M320 VanDerWaalsContact O-CE 3.25Å; I233-M320 WeakPolarHBondContact O-CE 3.47Å; I233-I329 HydrophobicContact CD1-CG2 3.77Å; I233-I329 HydrophobicContact CG1-CG2 4.28Å; I233-I329 HydrophobicContact CG2-CG2 3.79Å
234M93.4Very high84.1Confident0 Ų018.9 Ų18.90%08%0.083CC..Hα-helixtrans-61-33.7176-76.4-167.2-5900112.2L110 F111 I114 F120 V128 T129 I230 I231 S316L110-M234 HydrophobicContact CD1-SD 4.1Å; L110-M234 HydrophobicContact CD2-CG 4.37Å; L110-M234 HydrophobicContact CD2-SD 3.87Å; L110-M234 HydrophobicContact CG-SD 4.39Å; F111-M234 HydrophobicContact CE1-CG 3.81Å; I114-M234 HydrophobicContact CD1-CB 4.39Å; I114-M234 HydrophobicContact CD1-CG 3.81Å; I114-M234 HydrophobicContact CD1-SD 4.33Å; F120-M234 HydrophobicContact CE1-CB 4.33Å; V128-M234 HydrophobicContact CB-SD 4.34Å; V128-M234 HydrophobicContact CG1-CE 4.44Å; V128-M234 HydrophobicContact CG1-SD 3.78Å; T129-M234 WeakPolarHBondContact OG1-CE 3.5Å; I230-M234 HydrophobicContact CG2-CE 4.11Å; I230-M234 HydrophobicContact CG2-CG 4.29Å; I230-M234 HydrophobicContact CG2-SD 4.31Å; I230-M234 WeakPolarHBondContact O-CB 3.33Å; I230-M234 VanDerWaalsContact O-CG 3.31Å; I230-M234 WeakPolarHBondContact O-CG 3.41Å; I230-M234 PolarHBondContact O-N 3.3Å; I231-M234 HydrophobicContact CG1-CE 4.22Å; I231-M234 PolarHBondContact O-N 3.08Å; M234-S316 WeakPolarHBondContact O-CB 3.47Å; M234-S316 PolarHBondContact O-OG 3.29Å
235L93.2Very high81.8Confident0 Ų025.1 Ų25.10%011%0.112CC..Hα-helixtrans-77.2-50.2-178.8-68.3171.4000111.8E122 A125 I231 Y232 I233 W270 I273 A277 V281 W303 L314 P315E122-L235 HydrophobicContact CG-CD2 3.98Å; A125-L235 HydrophobicContact CB-CD2 4.31Å; I231-L235 HydrophobicContact CG2-CD1 3.75Å; I231-L235 HydrophobicContact CG2-CG 4.29Å; I231-L235 VanDerWaalsContact O-CG 3.27Å; I231-L235 WeakPolarHBondContact O-CG 3.4Å; I231-L235 PolarHBondContact O-N 3.45Å; Y232-L235 PolarHBondContact O-N 3.13Å; I233-L235 PolarHBondContact O-N 3.36Å; L235-W270 HydrophobicContact CB-CH2 3.87Å; L235-W270 HydrophobicContact CB-CZ2 4.45Å; L235-W270 HydrophobicContact CB-CZ3 4.17Å; L235-W270 HydrophobicContact CD1-CH2 3.85Å; L235-W270 HydrophobicContact CD1-CZ3 3.8Å; L235-I273 HydrophobicContact CB-CD1 3.91Å; L235-I273 HydrophobicContact CD1-CG2 4.3Å; L235-I273 HydrophobicContact CD2-CG2 4.3Å; L235-A277 HydrophobicContact CD1-CB 3.83Å; L235-A277 HydrophobicContact CD2-CB 4.27Å; L235-V281 HydrophobicContact CD1-CG2 4.29Å; L235-W303 HydrophobicContact CD2-CZ2 4.07Å; L235-L314 HydrophobicContact CD2-CD1 4.05Å; L235-L314 HydrophobicContact CD2-CD2 3.96Å; L235-P315 WeakPolarHBondContact O-CD 3.39Å
236C89.1Confident79.5Confident0 Ų032.6 Ų32.60%015%0.146CC..Hα-helixtrans-109.9-18.1-171.4730000115.8Y232 Y238 E269 W270Y232-C236 VanDerWaalsContact CD1-SG 3.52Å; Y232-C236 WeakPolarHBondContact CE1-SG 3.43Å; Y232-C236 PolarHBondContact O-N 3.25Å; Y232-C236 PolarHBondContact O-SG 3.07Å; C236-Y238 HydrophobicContact CB-CD1 4.09Å; C236-Y238 HydrophobicContact CB-CE1 3.65Å; C236-Y238 VanDerWaalsContact SG-CD1 3.56Å; C236-Y238 VanDerWaalsContact SG-CE1 3.53Å; C236-Y238 PolarHBondContact SG-O 3.3Å; C236-Y238 VanDerWaalsContact SG-O 3.41Å; C236-E269 HydrophobicContact CB-CB 4.38Å; C236-W270 HydrophobicContact CB-CD2 4.45Å; C236-W270 HydrophobicContact CB-CZ2 3.62Å; C236-W270 VanDerWaalsContact CB-NE1 3.31Å
237G87.1Confident77.1Confident0 Ų035.6 Ų35.60%017%0.168CC..SBendtrans92.74.6178.900000116.4I233 I329I233-G237 VanDerWaalsContact O-CA 3.28Å; I233-G237 WeakPolarHBondContact O-CA 3.42Å; I233-G237 PolarHBondContact O-N 3.38Å; G237-I329 WeakPolarHBondContact O-CD1 3.37Å
238Y83.3Confident74.5Confident39 Ų3947.1 Ų47.115%0.15321%0.211CC..SBendtrans-143.1158.9178.655.2-93000111.4Y232 I233 C236 P266 E269 W270 M319Y232-Y238 WeakPolarHBondContact CD1-O 3.21Å; Y232-Y238 AromaticContact CE1-CD2 3.82Å; Y232-Y238 HydrophobicContact CE1-CD2 3.82Å; Y232-Y238 AromaticContact CE1-CE2 3.71Å; Y232-Y238 HydrophobicContact CE1-CE2 3.71Å; Y232-Y238 WeakPolarHBondContact CE1-O 3.48Å; Y232-Y238 AromaticContact CZ-CE2 3.98Å; Y232-Y238 WeakPolarHBondContact OH-CE2 3.48Å; I233-Y238 WeakPolarHBondContact CG1-O 3.43Å; C236-Y238 HydrophobicContact CB-CD1 4.09Å; C236-Y238 HydrophobicContact CB-CE1 3.65Å; C236-Y238 VanDerWaalsContact SG-CD1 3.56Å; C236-Y238 VanDerWaalsContact SG-CE1 3.53Å; C236-Y238 PolarHBondContact SG-O 3.3Å; C236-Y238 VanDerWaalsContact SG-O 3.41Å; Y238-P266 VanDerWaalsContact OH-CD 3.27Å; Y238-P266 WeakPolarHBondContact OH-CD 3.26Å; Y238-P266 VanDerWaalsContact OH-CG 3.27Å; Y238-P266 WeakPolarHBondContact OH-CG 3.32Å; Y238-E269 HydrophobicContact CE1-CB 4.25Å; Y238-E269 HydrophobicContact CE1-CG 3.94Å; Y238-E269 PolarHBondContact OH-OE2 2.99Å; Y238-W270 AromaticContact CZ-NE1 3.84Å; Y238-W270 PolarHBondContact OH-NE1 2.63Å; Y238-M319 HydrophobicContact CD1-CE 3.66Å; Y238-M319 HydrophobicContact CD1-SD 3.87Å; Y238-M319 HydrophobicContact CE1-CE 4.33Å; Y238-M319 HydrophobicContact CE1-SD 4.24Å
239P83.4Confident71.9Confident9 Ų951.8 Ų51.86%0.05824%0.24CC..  trans-79.2148.3-17733-35.4000111.8I233 F241 Y242I233-P239 HydrophobicContact CD1-CB 4.22Å; I233-P239 HydrophobicContact CG1-CB 4.26Å; P239-F241 PolarHBondContact O-N 3.48Å; P239-F241 VanDerWaalsContact O-N 3.13Å; P239-Y242 HydrophobicContact CG-CD2 3.65Å; P239-Y242 HydrophobicContact CG-CE2 4.47Å; P239-Y242 HydrophobicContact CG-CG 4.44Å; P239-Y242 PolarHBondContact O-N 2.88Å
240P78.4Confident69.7Low8 Ų853.5 Ų53.55%0.05225%0.249CC..THydrogen-bonded Turntrans-63.9-23-173.619.4-29.3000114.8V229 Y232 F263 L285V229-P240 HydrophobicContact CG1-CG 4.43Å; V229-P240 HydrophobicContact CG2-CG 4.26Å; Y232-P240 HydrophobicContact CD1-CB 3.88Å; Y232-P240 HydrophobicContact CD1-CG 4.16Å; Y232-P240 HydrophobicContact CD2-CB 3.77Å; Y232-P240 HydrophobicContact CD2-CG 4.43Å; Y232-P240 HydrophobicContact CE1-CB 3.97Å; Y232-P240 HydrophobicContact CE2-CB 3.89Å; Y232-P240 HydrophobicContact CG-CB 3.8Å; Y232-P240 HydrophobicContact CG-CG 4.05Å; P240-F263 HydrophobicContact CB-CB 3.87Å; P240-F263 HydrophobicContact CB-CD2 4.44Å; P240-F263 HydrophobicContact CB-CG 4.2Å; P240-F263 WeakPolarHBondContact O-CB 3.43Å; P240-L285 HydrophobicContact CB-CD1 4.17Å; P240-L285 HydrophobicContact CG-CD1 4.04Å
241F71.4Confident67.8Low4 Ų454.7 Ų54.72%0.01826%0.256CS..THydrogen-bonded Turntrans-107.719.1-173.1-54.2-70.7000113.8W225 V229 P239 M254 K257 I258 F263 Q336W225-F241 HydrophobicContact CH2-CE2 4.3Å; W225-F241 AromaticContact CH2-CZ 3.76Å; W225-F241 HydrophobicContact CH2-CZ 3.76Å; W225-F241 HydrophobicContact CZ2-CE1 4.48Å; W225-F241 AromaticContact CZ2-CE2 3.51Å; W225-F241 HydrophobicContact CZ2-CE2 3.51Å; W225-F241 AromaticContact CZ2-CZ 3.43Å; W225-F241 HydrophobicContact CZ2-CZ 3.43Å; W225-F241 VanDerWaalsContact CZ2-CZ 3.43Å; V229-F241 HydrophobicContact CG2-CE2 4.39Å; P239-F241 PolarHBondContact O-N 3.48Å; P239-F241 VanDerWaalsContact O-N 3.13Å; F241-M254 HydrophobicContact CB-CG 4.34Å; F241-M254 WeakPolarHBondContact O-CG 3.32Å; F241-K257 HydrophobicContact CD1-CB 4.15Å; F241-I258 HydrophobicContact CB-CD1 4.43Å; F241-I258 HydrophobicContact CB-CG1 3.85Å; F241-I258 HydrophobicContact CD1-CG1 3.96Å; F241-I258 HydrophobicContact CD2-CG1 3.8Å; F241-I258 HydrophobicContact CE2-CG1 4.39Å; F241-I258 HydrophobicContact CG-CG1 3.57Å; F241-F263 HydrophobicContact CD1-CB 4.36Å; F241-F263 HydrophobicContact CE1-CB 4.06Å; F241-F263 HydrophobicContact CE1-CD1 4.06Å; F241-F263 HydrophobicContact CE1-CG 4.48Å; F241-F263 HydrophobicContact CZ-CD1 4.21Å; F241-Q336 VanDerWaalsContact CE2-NE2 3.28Å
242Y62.3Low65.8Low106 Ų10663.7 Ų63.742%0.41630%0.295SS..  trans-55.3144.5-176.8-150.8-106.7000112.6P239 H246 K257P239-Y242 HydrophobicContact CG-CD2 3.65Å; P239-Y242 HydrophobicContact CG-CE2 4.47Å; P239-Y242 HydrophobicContact CG-CG 4.44Å; P239-Y242 PolarHBondContact O-N 2.88Å; Y242-H246 AromaticContact CZ-NE2 3.94Å; Y242-H246 PolarHBondContact OH-CD2 2.87Å; Y242-H246 VanDerWaalsContact OH-CD2 3.23Å; Y242-H246 PolarHBondContact OH-CE1 3.23Å; Y242-H246 PolarHBondContact OH-NE2 3.31Å; Y242-K257 PolarHBondContact O-NZ 3.35Å
243S51.6Low64Low15 Ų1568.1 Ų68.111%0.10532%0.319CS..  trans-111.4141.6170.998.50000108.6H245 P251S243-H245 PolarHBondContact O-N 3.33Å; S243-H245 PolarHBondContact OG-N 3.46Å; S243-H245 PolarHBondContact OG-O 3.28Å; S243-P251 WeakPolarHBondContact OG-CG 3.24Å
244K46.4Very low62.2Low197 Ų19769 Ų6986%0.85732%0.324SS*.SBendtrans-62.7-9.6178.9-68.6-176.7175.8-1780113.4
245H44.8Very low60.4Low140 Ų14076.9 Ų76.965%0.64835%0.353SS*.SBendtrans-107.9111.8-179.8-63.1-64.6000111S243 S247S243-H245 PolarHBondContact O-N 3.33Å; S243-H245 PolarHBondContact OG-N 3.46Å; S243-H245 PolarHBondContact OG-O 3.28Å; H245-S247 PolarHBondContact O-N 2.87Å
246H41.6Very low58.7Low161 Ų16183.7 Ų83.775%0.74538%0.383SS*.  trans-71.190.8173-65.573.4000109.2Y242Y242-H246 AromaticContact CZ-NE2 3.94Å; Y242-H246 PolarHBondContact OH-CD2 2.87Å; Y242-H246 VanDerWaalsContact OH-CD2 3.23Å; Y242-H246 PolarHBondContact OH-CE1 3.23Å; Y242-H246 PolarHBondContact OH-NE2 3.31Å
247S40.4Very low57.3Low65 Ų6587.3 Ų87.346%0.45540%0.399SS..  trans-106.3145.4169.2174.20000109.5H245 T249H245-S247 PolarHBondContact O-N 2.87Å; S247-T249 VanDerWaalsContact CB-O 3.23Å; S247-T249 WeakPolarHBondContact CB-O 3.42Å; S247-T249 PolarHBondContact O-N 3.39Å; S247-T249 VanDerWaalsContact O-N 3.11Å; S247-T249 PolarHBondContact OG-N 2.94Å; S247-T249 PolarHBondContact OG-O 2.83Å; S247-T249 PolarHBondContact OG-OG1 3.45Å
248R39Very low56Low242 Ų24288.5 Ų88.591%0.91341%0.405SS*.SBendtrans-67.3-3.5173.1-59.8-171.9-146.8130.74113.5
249T40.2Very low54.8Low97 Ų9792.6 Ų92.660%0.59543%0.427SS*.SBendtrans-127.8139.1172.452.30000108.1S247 P251S247-T249 VanDerWaalsContact CB-O 3.23Å; S247-T249 WeakPolarHBondContact CB-O 3.42Å; S247-T249 PolarHBondContact O-N 3.39Å; S247-T249 VanDerWaalsContact O-N 3.11Å; S247-T249 PolarHBondContact OG-N 2.94Å; S247-T249 PolarHBondContact OG-O 2.83Å; S247-T249 PolarHBondContact OG-OG1 3.45Å; T249-P251 WeakPolarHBondContact O-CD 3.36Å
250I45.6Very low53.5Low37 Ų3796.1 Ų96.119%0.1945%0.449CS..  trans-44.7112172.2-61179.4000108.7K252 M254 R255 E335 N339I250-K252 PolarHBondContact O-N 2.94Å; I250-M254 HydrophobicContact CB-CE 4.27Å; I250-M254 HydrophobicContact CB-SD 4.5Å; I250-M254 HydrophobicContact CD1-CE 3.79Å; I250-M254 HydrophobicContact CG1-CE 3.62Å; I250-M254 HydrophobicContact CG1-SD 4.39Å; I250-M254 HydrophobicContact CG2-CB 3.65Å; I250-M254 HydrophobicContact CG2-CE 3.82Å; I250-M254 HydrophobicContact CG2-CG 3.69Å; I250-M254 HydrophobicContact CG2-SD 3.87Å; I250-R255 HydrophobicContact CG2-CB 4.18Å; I250-E335 HydrophobicContact CD1-CB 4.19Å; I250-E335 WeakPolarHBondContact CG1-OE2 3.26Å; I250-N339 WeakPolarHBondContact CD1-ND2 3.16Å
251P53.6Low52.7Low25 Ų2596.6 Ų96.616%0.16246%0.455CS..  trans-57143.4174.8-28.740.5000108.8S243 T249 D253 M254 R255S243-P251 WeakPolarHBondContact OG-CG 3.24Å; T249-P251 WeakPolarHBondContact O-CD 3.36Å; P251-D253 PolarHBondContact O-N 3.35Å; P251-M254 PolarHBondContact O-N 3.43Å; P251-R255 PolarHBondContact O-N 3.26Å
252K51.8Low52.7Low189 Ų18999.2 Ų99.282%0.82247%0.473SS*.Hα-helixtrans-47.7-30.6-179.9-71.7-179.2178.3177.10112.2I250 K256I250-K252 PolarHBondContact O-N 2.94Å; K252-K256 WeakPolarHBondContact O-CB 3.48Å; K252-K256 PolarHBondContact O-N 2.99Å
253D55.4Low53.5Low97 Ų9795.6 Ų95.652%0.51946%0.46SS..Hα-helixtrans-64.8-39.5176.5-57.1-30.1000113.9P251 K256 K257P251-D253 PolarHBondContact O-N 3.35Å; D253-K256 WeakPolarHBondContact O-CB 3.26Å; D253-K256 PolarHBondContact O-N 3.47Å; D253-K257 WeakPolarHBondContact O-CG 3.41Å; D253-K257 PolarHBondContact O-N 3.45Å
254M54.4Low55.1Low19 Ų19100.5 Ų100.59%0.09449%0.485CS..Hα-helixtrans-71.6-39.1178.4171.9-179.9142.100111.3F241 I250 P251 K256 K257 I258F241-M254 HydrophobicContact CB-CG 4.34Å; F241-M254 WeakPolarHBondContact O-CG 3.32Å; I250-M254 HydrophobicContact CB-CE 4.27Å; I250-M254 HydrophobicContact CB-SD 4.5Å; I250-M254 HydrophobicContact CD1-CE 3.79Å; I250-M254 HydrophobicContact CG1-CE 3.62Å; I250-M254 HydrophobicContact CG1-SD 4.39Å; I250-M254 HydrophobicContact CG2-CB 3.65Å; I250-M254 HydrophobicContact CG2-CE 3.82Å; I250-M254 HydrophobicContact CG2-CG 3.69Å; I250-M254 HydrophobicContact CG2-SD 3.87Å; P251-M254 PolarHBondContact O-N 3.43Å; M254-K256 VanDerWaalsContact C-N 3.32Å; M254-K256 PolarHBondContact O-N 3.01Å; M254-K257 PolarHBondContact O-N 2.89Å; M254-I258 HydrophobicContact CE-CD1 4.24Å; M254-I258 HydrophobicContact CG-CD1 4.2Å; M254-I258 WeakPolarHBondContact O-CG1 3.39Å; M254-I258 PolarHBondContact O-N 3.01Å
255R56.4Low57.1Low164 Ų16493.4 Ų93.462%0.61945%0.454SS*.Hα-helixtrans-61.6-42.5171.4-174.9176.7177.8175.71.6111.1I250 P251 I258 M259I250-R255 HydrophobicContact CG2-CB 4.18Å; P251-R255 PolarHBondContact O-N 3.26Å; R255-I258 PolarHBondContact O-N 2.77Å; R255-M259 HydrophobicContact CG-CG 4.49Å; R255-M259 HydrophobicContact CG-SD 4.13Å; R255-M259 WeakPolarHBondContact O-CB 3.21Å; R255-M259 VanDerWaalsContact O-CG 3.29Å; R255-M259 WeakPolarHBondContact O-CG 3.48Å; R255-M259 PolarHBondContact O-N 3.25Å
256K56.4Low59.1Low143 Ų14389.2 Ų89.262%0.62244%0.44SS*.Hα-helixtrans-59.7-48.6174.4-173.7178.9178-176.80110.8K252 D253 M254 I258 M259 T260K252-K256 WeakPolarHBondContact O-CB 3.48Å; K252-K256 PolarHBondContact O-N 2.99Å; D253-K256 WeakPolarHBondContact O-CB 3.26Å; D253-K256 PolarHBondContact O-N 3.47Å; M254-K256 VanDerWaalsContact C-N 3.32Å; M254-K256 PolarHBondContact O-N 3.01Å; K256-I258 VanDerWaalsContact C-N 3.35Å; K256-I258 PolarHBondContact O-N 2.86Å; K256-M259 CarbonylContact O-C 3.59Å; K256-M259 PolarHBondContact O-N 2.86Å; K256-M259 VanDerWaalsContact O-N 3.16Å; K256-T260 HydrophobicContact CG-CG2 4.26Å; K256-T260 WeakPolarHBondContact O-CB 3.43Å; K256-T260 WeakPolarHBondContact O-CG2 3.42Å; K256-T260 PolarHBondContact O-N 2.82Å; K256-T260 PolarHBondContact O-OG1 3.07Å
257K60.2Low61.2Low76 Ų7689.4 Ų89.433%0.3344%0.441SS..Hα-helixtrans-57.3-43177.3-76.3-178.1179.8-167.40113.1F241 Y242 D253 M254 T260 G261 S262F241-K257 HydrophobicContact CD1-CB 4.15Å; Y242-K257 PolarHBondContact O-NZ 3.35Å; D253-K257 WeakPolarHBondContact O-CG 3.41Å; D253-K257 PolarHBondContact O-N 3.45Å; M254-K257 PolarHBondContact O-N 2.89Å; K257-T260 CarbonylContact O-C 3.54Å; K257-T260 PolarHBondContact O-N 2.63Å; K257-T260 PolarHBondContact O-OG1 2.98Å; K257-G261 CarbonylContact O-C 3.59Å; K257-G261 WeakPolarHBondContact O-CA 3.38Å; K257-G261 PolarHBondContact O-N 2.79Å; K257-S262 PolarHBondContact O-N 2.85Å
258I59.6Low63.3Low25 Ų2593.3 Ų93.313%0.12846%0.456CS..Hα-helixtrans-63.8-47.4175.6-67.3164.2000110.4W225 F241 M254 R255 K256 T260 G261 Q336W225-I258 HydrophobicContact CZ2-CG2 4.17Å; F241-I258 HydrophobicContact CB-CD1 4.43Å; F241-I258 HydrophobicContact CB-CG1 3.85Å; F241-I258 HydrophobicContact CD1-CG1 3.96Å; F241-I258 HydrophobicContact CD2-CG1 3.8Å; F241-I258 HydrophobicContact CE2-CG1 4.39Å; F241-I258 HydrophobicContact CG-CG1 3.57Å; M254-I258 HydrophobicContact CE-CD1 4.24Å; M254-I258 HydrophobicContact CG-CD1 4.2Å; M254-I258 WeakPolarHBondContact O-CG1 3.39Å; M254-I258 PolarHBondContact O-N 3.01Å; R255-I258 PolarHBondContact O-N 2.77Å; K256-I258 VanDerWaalsContact C-N 3.35Å; K256-I258 PolarHBondContact O-N 2.86Å; I258-T260 VanDerWaalsContact C-N 3.28Å; I258-T260 PolarHBondContact O-N 3.22Å; I258-G261 PolarHBondContact O-N 3.08Å; I258-Q336 HydrophobicContact CD1-CG 4.06Å
259M57Low65.5Low125 Ų12584.3 Ų84.362%0.61643%0.425SS*.Hα-helixtrans-67.8-27.1-179.6-70-175.371.500113.2R255 K256 V287R255-M259 HydrophobicContact CG-CG 4.49Å; R255-M259 HydrophobicContact CG-SD 4.13Å; R255-M259 WeakPolarHBondContact O-CB 3.21Å; R255-M259 VanDerWaalsContact O-CG 3.29Å; R255-M259 WeakPolarHBondContact O-CG 3.48Å; R255-M259 PolarHBondContact O-N 3.25Å; K256-M259 CarbonylContact O-C 3.59Å; K256-M259 PolarHBondContact O-N 2.86Å; K256-M259 VanDerWaalsContact O-N 3.16Å; M259-V287 WeakPolarHBondContact O-CG1 3.07Å
260T57.7Low67.9Low84 Ų8479.8 Ų79.852%0.51540%0.397SS..Hα-helixtrans-94-617562.30000113K256 K257 I258 S262K256-T260 HydrophobicContact CG-CG2 4.26Å; K256-T260 WeakPolarHBondContact O-CB 3.43Å; K256-T260 WeakPolarHBondContact O-CG2 3.42Å; K256-T260 PolarHBondContact O-N 2.82Å; K256-T260 PolarHBondContact O-OG1 3.07Å; K257-T260 CarbonylContact O-C 3.54Å; K257-T260 PolarHBondContact O-N 2.63Å; K257-T260 PolarHBondContact O-OG1 2.98Å; I258-T260 VanDerWaalsContact C-N 3.28Å; I258-T260 PolarHBondContact O-N 3.22Å; T260-S262 PolarHBondContact O-N 3.25Å; T260-S262 WeakPolarHBondContact OG1-CB 3.47Å
261G60.2Low70Confident18 Ų1881.5 Ų81.519%0.18641%0.412CS..THydrogen-bonded Turntrans58.929.8-173.400000113.4K257 I258 F263K257-G261 CarbonylContact O-C 3.59Å; K257-G261 WeakPolarHBondContact O-CA 3.38Å; K257-G261 PolarHBondContact O-N 2.79Å; I258-G261 PolarHBondContact O-N 3.08Å; G261-F263 WeakPolarHBondContact O-CD1 3.46Å; G261-F263 PolarHBondContact O-N 3.18Å
262S71.8Confident71.7Confident58 Ų5886.7 Ų86.741%0.40643%0.434SS..  trans-88.5102.3-176.9175.80000108.9K257 T260K257-S262 PolarHBondContact O-N 2.85Å; T260-S262 PolarHBondContact O-N 3.25Å; T260-S262 WeakPolarHBondContact OG1-CB 3.47Å
263F80.3Confident73.6Confident31 Ų3177.9 Ų77.914%0.13640%0.396CS..  trans-139.1154.2170.367.3-85.6000108.3Y232 P240 F241 G261 F265 V281 R282 L285Y232-F263 HydrophobicContact CD2-CD2 4.31Å; Y232-F263 AromaticContact CE2-CD2 3.95Å; Y232-F263 HydrophobicContact CE2-CD2 3.95Å; P240-F263 HydrophobicContact CB-CB 3.87Å; P240-F263 HydrophobicContact CB-CD2 4.44Å; P240-F263 HydrophobicContact CB-CG 4.2Å; P240-F263 WeakPolarHBondContact O-CB 3.43Å; F241-F263 HydrophobicContact CD1-CB 4.36Å; F241-F263 HydrophobicContact CE1-CB 4.06Å; F241-F263 HydrophobicContact CE1-CD1 4.06Å; F241-F263 HydrophobicContact CE1-CG 4.48Å; F241-F263 HydrophobicContact CZ-CD1 4.21Å; G261-F263 WeakPolarHBondContact O-CD1 3.46Å; G261-F263 PolarHBondContact O-N 3.18Å; F263-F265 HydrophobicContact CD2-CZ 4.45Å; F263-F265 HydrophobicContact CE2-CE1 4.08Å; F263-F265 HydrophobicContact CE2-CE2 4.19Å; F263-F265 AromaticContact CE2-CZ 3.68Å; F263-F265 HydrophobicContact CE2-CZ 3.68Å; F263-V281 HydrophobicContact CE2-CG1 3.97Å; F263-V281 HydrophobicContact CZ-CG1 4.31Å; F263-R282 HydrophobicContact CZ-CG 4.36Å; F263-L285 HydrophobicContact CD1-CB 4.29Å; F263-L285 HydrophobicContact CD1-CD1 4.22Å; F263-L285 HydrophobicContact CD2-CD1 4.44Å; F263-L285 HydrophobicContact CE1-CB 3.47Å; F263-L285 VanDerWaalsContact CE1-CB 3.47Å; F263-L285 HydrophobicContact CE1-CD1 3.94Å; F263-L285 HydrophobicContact CE1-CG 4.36Å; F263-L285 HydrophobicContact CE2-CD1 4.16Å; F263-L285 HydrophobicContact CG-CD1 4.46Å; F263-L285 HydrophobicContact CZ-CB 3.77Å; F263-L285 HydrophobicContact CZ-CD1 3.9Å; F263-L285 HydrophobicContact CZ-CG 4.4Å
264D83.8Confident75.4Confident118 Ų11874.1 Ų74.163%0.63138%0.378SS*.  trans-125.6171.3-176.5-59-49.7000110.6Y232 P266Y232-D264 PolarHBondContact OH-O 3.38Å; D264-P266 WeakPolarHBondContact O-CD 3.32Å
265F89.4Confident77.2Confident48 Ų4878 Ų7821%0.21140%0.395CS..  trans-117.184.5172.9-58.6-66.5000109.3Y232 F263 E267 W270 K278 V281 R282Y232-F265 HydrophobicContact CD2-CD1 4.49Å; Y232-F265 HydrophobicContact CD2-CE1 4.05Å; Y232-F265 AromaticContact CE2-CD1 3.89Å; Y232-F265 HydrophobicContact CE2-CD1 3.89Å; Y232-F265 AromaticContact CE2-CE1 3.84Å; Y232-F265 HydrophobicContact CE2-CE1 3.84Å; F263-F265 HydrophobicContact CD2-CZ 4.45Å; F263-F265 HydrophobicContact CE2-CE1 4.08Å; F263-F265 HydrophobicContact CE2-CE2 4.19Å; F263-F265 AromaticContact CE2-CZ 3.68Å; F263-F265 HydrophobicContact CE2-CZ 3.68Å; F265-E267 PolarHBondContact O-N 3.45Å; F265-W270 HydrophobicContact CB-CB 3.94Å; F265-W270 HydrophobicContact CB-CD2 3.97Å; F265-W270 HydrophobicContact CB-CE3 4.33Å; F265-W270 HydrophobicContact CB-CG 3.79Å; F265-W270 AromaticContact CD1-CD2 3.51Å; F265-W270 HydrophobicContact CD1-CD2 3.51Å; F265-W270 AromaticContact CD1-CE2 3.65Å; F265-W270 AromaticContact CD1-CE3 3.42Å; F265-W270 HydrophobicContact CD1-CE3 3.42Å; F265-W270 VanDerWaalsContact CD1-CE3 3.42Å; F265-W270 HydrophobicContact CD1-CG 4.24Å; F265-W270 AromaticContact CD1-CH2 3.68Å; F265-W270 HydrophobicContact CD1-CH2 3.68Å; F265-W270 AromaticContact CD1-CZ2 3.76Å; F265-W270 HydrophobicContact CD1-CZ2 3.76Å; F265-W270 AromaticContact CD1-CZ3 3.51Å; F265-W270 HydrophobicContact CD1-CZ3 3.51Å; F265-W270 HydrophobicContact CE1-CD2 4.41Å; F265-W270 AromaticContact CE1-CE3 4Å; F265-W270 HydrophobicContact CE1-CE3 4Å; F265-W270 AromaticContact CE1-CH2 3.65Å; F265-W270 HydrophobicContact CE1-CH2 3.65Å; F265-W270 HydrophobicContact CE1-CZ2 4.1Å; F265-W270 AromaticContact CE1-CZ3 3.59Å; F265-W270 HydrophobicContact CE1-CZ3 3.59Å; F265-W270 HydrophobicContact CG-CD2 4.17Å; F265-W270 HydrophobicContact CG-CE3 4.17Å; F265-W270 HydrophobicContact CG-CG 4.5Å; F265-K278 HydrophobicContact CD1-CG 4.12Å; F265-K278 HydrophobicContact CD2-CB 4.45Å; F265-K278 HydrophobicContact CD2-CD 4.43Å; F265-K278 HydrophobicContact CD2-CG 4.23Å; F265-K278 HydrophobicContact CE1-CB 4.34Å; F265-K278 HydrophobicContact CE1-CG 4.11Å; F265-K278 HydrophobicContact CE2-CB 4.02Å; F265-K278 HydrophobicContact CE2-CG 4.24Å; F265-K278 HydrophobicContact CG-CD 4.42Å; F265-K278 HydrophobicContact CG-CG 4.15Å; F265-K278 HydrophobicContact CZ-CB 3.94Å; F265-K278 HydrophobicContact CZ-CG 4.15Å; F265-V281 HydrophobicContact CE1-CB 4.47Å; F265-V281 HydrophobicContact CE1-CG1 4.03Å; F265-V281 HydrophobicContact CZ-CB 4.35Å; F265-V281 HydrophobicContact CZ-CG1 4.06Å; F265-R282 HydrophobicContact CE2-CG 3.72Å; F265-R282 HydrophobicContact CZ-CG 3.9Å
266P86.6Confident78.9Confident52 Ų5273.2 Ų73.234%0.33838%0.381SS..  trans-54.8132.5-179-27.135000112.8Y238 D264 D268 E269 W270Y238-P266 VanDerWaalsContact OH-CD 3.27Å; Y238-P266 WeakPolarHBondContact OH-CD 3.26Å; Y238-P266 VanDerWaalsContact OH-CG 3.27Å; Y238-P266 WeakPolarHBondContact OH-CG 3.32Å; D264-P266 WeakPolarHBondContact O-CD 3.32Å; P266-D268 PolarHBondContact O-N 2.82Å; P266-E269 PolarHBondContact O-N 2.96Å; P266-W270 VanDerWaalsContact O-CB 3.23Å; P266-W270 WeakPolarHBondContact O-CB 3.46Å; P266-W270 PolarHBondContact O-N 3.32Å
267E85.9Confident80.7Confident165 Ų16566.4 Ų66.477%0.77135%0.351SS*.Hα-helixtrans-59.9-33.5-174-70.5-174.2168.600113.2F265 E269 S271F265-E267 PolarHBondContact O-N 3.45Å; E267-E269 VanDerWaalsContact C-N 3.33Å; E267-E269 PolarHBondContact O-N 3.16Å; E267-S271 WeakPolarHBondContact O-CB 3.23Å; E267-S271 PolarHBondContact O-N 3.21Å; E267-S271 PolarHBondContact O-OG 3.08Å; E267-S271 VanDerWaalsContact O-OG 3.05Å
268D84.1Confident82.4Confident146 Ų14664 Ų6478%0.78134%0.341SS*.Hα-helixtrans-54.6-46-178.6-66.9-24.7000112.1P266P266-D268 PolarHBondContact O-N 2.82Å
269E84.7Confident84.1Confident53 Ų5364 Ų6425%0.24834%0.341CS..Hα-helixtrans-100.3-26.1179-5687.8-167.600113.8C236 Y238 P266 E267 P315 M319C236-E269 HydrophobicContact CB-CB 4.38Å; Y238-E269 HydrophobicContact CE1-CB 4.25Å; Y238-E269 HydrophobicContact CE1-CG 3.94Å; Y238-E269 PolarHBondContact OH-OE2 2.99Å; P266-E269 PolarHBondContact O-N 2.96Å; E267-E269 VanDerWaalsContact C-N 3.33Å; E267-E269 PolarHBondContact O-N 3.16Å; E269-P315 HydrophobicContact CB-CG 3.95Å; E269-M319 HydrophobicContact CG-SD 4.29Å
270W91.6Very high85.9Confident2 Ų258 Ų581%0.00831%0.312CS..Hα-helixtrans-100.1-3.6-171.6-68.282.1000115.1Y232 L235 C236 Y238 F265 P266 Q272 I273 K278Y232-W270 AromaticContact CD1-CZ2 3.98Å; Y232-W270 HydrophobicContact CD1-CZ2 3.98Å; Y232-W270 AromaticContact CD2-CH2 3.79Å; Y232-W270 HydrophobicContact CD2-CH2 3.79Å; Y232-W270 AromaticContact CD2-CZ2 3.57Å; Y232-W270 HydrophobicContact CD2-CZ2 3.57Å; Y232-W270 AromaticContact CE1-CZ2 3.86Å; Y232-W270 HydrophobicContact CE1-CZ2 3.86Å; Y232-W270 HydrophobicContact CE2-CH2 4Å; Y232-W270 AromaticContact CE2-CZ2 3.4Å; Y232-W270 HydrophobicContact CE2-CZ2 3.4Å; Y232-W270 VanDerWaalsContact CE2-CZ2 3.4Å; Y232-W270 HydrophobicContact CG-CH2 4.13Å; Y232-W270 AromaticContact CG-CZ2 3.84Å; Y232-W270 HydrophobicContact CG-CZ2 3.84Å; Y232-W270 AromaticContact CZ-CZ2 3.55Å; L235-W270 HydrophobicContact CB-CH2 3.87Å; L235-W270 HydrophobicContact CB-CZ2 4.45Å; L235-W270 HydrophobicContact CB-CZ3 4.17Å; L235-W270 HydrophobicContact CD1-CH2 3.85Å; L235-W270 HydrophobicContact CD1-CZ3 3.8Å; C236-W270 HydrophobicContact CB-CD2 4.45Å; C236-W270 HydrophobicContact CB-CZ2 3.62Å; C236-W270 VanDerWaalsContact CB-NE1 3.31Å; Y238-W270 AromaticContact CZ-NE1 3.84Å; Y238-W270 PolarHBondContact OH-NE1 2.63Å; F265-W270 HydrophobicContact CB-CB 3.94Å; F265-W270 HydrophobicContact CB-CD2 3.97Å; F265-W270 HydrophobicContact CB-CE3 4.33Å; F265-W270 HydrophobicContact CB-CG 3.79Å; F265-W270 AromaticContact CD1-CD2 3.51Å; F265-W270 HydrophobicContact CD1-CD2 3.51Å; F265-W270 AromaticContact CD1-CE2 3.65Å; F265-W270 AromaticContact CD1-CE3 3.42Å; F265-W270 HydrophobicContact CD1-CE3 3.42Å; F265-W270 VanDerWaalsContact CD1-CE3 3.42Å; F265-W270 HydrophobicContact CD1-CG 4.24Å; F265-W270 AromaticContact CD1-CH2 3.68Å; F265-W270 HydrophobicContact CD1-CH2 3.68Å; F265-W270 AromaticContact CD1-CZ2 3.76Å; F265-W270 HydrophobicContact CD1-CZ2 3.76Å; F265-W270 AromaticContact CD1-CZ3 3.51Å; F265-W270 HydrophobicContact CD1-CZ3 3.51Å; F265-W270 HydrophobicContact CE1-CD2 4.41Å; F265-W270 AromaticContact CE1-CE3 4Å; F265-W270 HydrophobicContact CE1-CE3 4Å; F265-W270 AromaticContact CE1-CH2 3.65Å; F265-W270 HydrophobicContact CE1-CH2 3.65Å; F265-W270 HydrophobicContact CE1-CZ2 4.1Å; F265-W270 AromaticContact CE1-CZ3 3.59Å; F265-W270 HydrophobicContact CE1-CZ3 3.59Å; F265-W270 HydrophobicContact CG-CD2 4.17Å; F265-W270 HydrophobicContact CG-CE3 4.17Å; F265-W270 HydrophobicContact CG-CG 4.5Å; P266-W270 VanDerWaalsContact O-CB 3.23Å; P266-W270 WeakPolarHBondContact O-CB 3.46Å; P266-W270 PolarHBondContact O-N 3.32Å; W270-Q272 PolarHBondContact O-N 2.98Å; W270-I273 HydrophobicContact CD2-CD1 3.75Å; W270-I273 HydrophobicContact CE3-CB 3.94Å; W270-I273 HydrophobicContact CE3-CD1 3.59Å; W270-I273 HydrophobicContact CE3-CG1 4.36Å; W270-I273 HydrophobicContact CE3-CG2 3.75Å; W270-I273 HydrophobicContact CG-CD1 4.19Å; W270-I273 HydrophobicContact CZ3-CD1 4.06Å; W270-I273 HydrophobicContact CZ3-CG2 3.87Å; W270-I273 PolarHBondContact O-N 2.86Å; W270-K278 HydrophobicContact CE3-CD 4.41Å; W270-K278 HydrophobicContact CE3-CG 3.72Å; W270-K278 HydrophobicContact CZ3-CG 3.9Å; W270-K278 VanDerWaalsContact O-CE 3.25Å; W270-K278 WeakPolarHBondContact O-CE 3.5Å; W270-K278 PolarHBondContact O-NZ 3.1Å
271S89Confident87.7Confident74 Ų7454 Ų5452%0.51729%0.287SS..THydrogen-bonded Turntrans-59.5-33.8177.855.60000113.2E267E267-S271 WeakPolarHBondContact O-CB 3.23Å; E267-S271 PolarHBondContact O-N 3.21Å; E267-S271 PolarHBondContact O-OG 3.08Å; E267-S271 VanDerWaalsContact O-OG 3.05Å
272Q88.3Confident89.3Confident133 Ų13357.6 Ų57.662%0.62130%0.295SS*.THydrogen-bonded Turntrans-94.1-5.2-178.9-58-55.1-65.400113.9W270 N312W270-Q272 PolarHBondContact O-N 2.98Å; Q272-N312 PolarHBondContact O-ND2 2.92Å
273I91.9Very high90.4Very high5 Ų558.6 Ų58.63%0.02629%0.292CS..SBendtrans-87.8133.2179.9-66.1166.6000109.4L235 W270 A277 K278 L314L235-I273 HydrophobicContact CB-CD1 3.91Å; L235-I273 HydrophobicContact CD1-CG2 4.3Å; L235-I273 HydrophobicContact CD2-CG2 4.3Å; W270-I273 HydrophobicContact CD2-CD1 3.75Å; W270-I273 HydrophobicContact CE3-CB 3.94Å; W270-I273 HydrophobicContact CE3-CD1 3.59Å; W270-I273 HydrophobicContact CE3-CG1 4.36Å; W270-I273 HydrophobicContact CE3-CG2 3.75Å; W270-I273 HydrophobicContact CG-CD1 4.19Å; W270-I273 HydrophobicContact CZ3-CD1 4.06Å; W270-I273 HydrophobicContact CZ3-CG2 3.87Å; W270-I273 PolarHBondContact O-N 2.86Å; I273-A277 HydrophobicContact CG2-CB 3.68Å; I273-K278 WeakPolarHBondContact O-CE 3.4Å; I273-K278 PolarHBondContact O-NZ 2.59Å; I273-L314 HydrophobicContact CD1-CD2 4.24Å; I273-L314 HydrophobicContact CG1-CD2 3.84Å
274S93.1Very high91Very high18 Ų1857.1 Ų57.113%0.12629%0.286CS..  trans-60.6150.1-176.279.90000112.7E122 M276 A277 K278E122-S274 VanDerWaalsContact OE1-CB 3.27Å; E122-S274 WeakPolarHBondContact OE1-CB 3.48Å; E122-S274 PolarHBondContact OE1-OG 2.73Å; E122-S274 PolarHBondContact OE2-N 3.1Å; S274-M276 PolarHBondContact O-N 3.17Å; S274-A277 WeakPolarHBondContact O-CB 3.37Å; S274-A277 PolarHBondContact O-N 2.78Å; S274-A277 PolarHBondContact OG-N 2.73Å; S274-A277 VanDerWaalsContact OG-N 3.12Å; S274-K278 PolarHBondContact O-N 2.8Å; S274-K278 VanDerWaalsContact O-N 3.17Å
275E92.7Very high91.2Very high99 Ų9951.7 Ų51.746%0.46326%0.256SS..Hα-helixtrans-68.7-20.3176.6-161.447.579.800112K278 D279 R282E275-K278 WeakPolarHBondContact OE1-CD 3.46Å; E275-K278 WeakPolarHBondContact OE2-CB 3.42Å; E275-D279 VanDerWaalsContact O-CB 3.24Å; E275-D279 WeakPolarHBondContact O-CB 3.47Å; E275-D279 PolarHBondContact O-N 2.95Å; E275-R282 IonicContact OE2-CZ 3.47Å; E275-R282 IonicContact OE2-NE 2.81Å; E275-R282 IonicContact OE2-NH2 2.79Å; E275-R282 PolarHBondContact OE2-NH2 2.89Å
276M92.3Very high90.9Very high64 Ų6453.7 Ų53.732%0.31527%0.265SS..Hα-helixtrans-70.6-38.7172-69-62.399.200112.5S274 D279 I280 H301 P302 W303S274-M276 PolarHBondContact O-N 3.17Å; M276-D279 PolarHBondContact O-N 3.15Å; M276-I280 PolarHBondContact O-N 3.25Å; M276-I280 VanDerWaalsContact O-N 3.14Å; M276-H301 PolarHBondContact O-CE1 2.98Å; M276-P302 HydrophobicContact SD-CB 4.48Å; M276-W303 HydrophobicContact CB-CB 4.21Å
277A94.2Very high90.4Very high0 Ų054.3 Ų54.30%027%0.268CS..Hα-helixtrans-65.9-40.8173.600000111.4E122 L235 I273 S274 I280 V281 W303E122-A277 HydrophobicContact CG-CB 4.49Å; L235-A277 HydrophobicContact CD1-CB 3.83Å; L235-A277 HydrophobicContact CD2-CB 4.27Å; I273-A277 HydrophobicContact CG2-CB 3.68Å; S274-A277 WeakPolarHBondContact O-CB 3.37Å; S274-A277 PolarHBondContact O-N 2.78Å; S274-A277 PolarHBondContact OG-N 2.73Å; S274-A277 VanDerWaalsContact OG-N 3.12Å; A277-I280 WeakPolarHBondContact O-CG2 3.34Å; A277-V281 VanDerWaalsContact O-CG2 3.31Å; A277-V281 WeakPolarHBondContact O-CG2 3.48Å; A277-V281 PolarHBondContact O-N 3.41Å; A277-W303 HydrophobicContact CB-CD2 4.43Å; A277-W303 HydrophobicContact CB-CZ2 4.2Å
278K95.1Very high89.6Confident26 Ų2651.5 Ų51.511%0.11325%0.253CS..Hα-helixtrans-64.7-39.9172.8-71.5167.5-176.5160.40112F265 W270 I273 S274 E275 V281 R282F265-K278 HydrophobicContact CD1-CG 4.12Å; F265-K278 HydrophobicContact CD2-CB 4.45Å; F265-K278 HydrophobicContact CD2-CD 4.43Å; F265-K278 HydrophobicContact CD2-CG 4.23Å; F265-K278 HydrophobicContact CE1-CB 4.34Å; F265-K278 HydrophobicContact CE1-CG 4.11Å; F265-K278 HydrophobicContact CE2-CB 4.02Å; F265-K278 HydrophobicContact CE2-CG 4.24Å; F265-K278 HydrophobicContact CG-CD 4.42Å; F265-K278 HydrophobicContact CG-CG 4.15Å; F265-K278 HydrophobicContact CZ-CB 3.94Å; F265-K278 HydrophobicContact CZ-CG 4.15Å; W270-K278 HydrophobicContact CE3-CD 4.41Å; W270-K278 HydrophobicContact CE3-CG 3.72Å; W270-K278 HydrophobicContact CZ3-CG 3.9Å; W270-K278 VanDerWaalsContact O-CE 3.25Å; W270-K278 WeakPolarHBondContact O-CE 3.5Å; W270-K278 PolarHBondContact O-NZ 3.1Å; I273-K278 WeakPolarHBondContact O-CE 3.4Å; I273-K278 PolarHBondContact O-NZ 2.59Å; S274-K278 PolarHBondContact O-N 2.8Å; S274-K278 VanDerWaalsContact O-N 3.17Å; E275-K278 WeakPolarHBondContact OE1-CD 3.46Å; E275-K278 WeakPolarHBondContact OE2-CB 3.42Å; K278-V281 PolarHBondContact O-N 2.97Å; K278-R282 WeakPolarHBondContact O-CG 3.3Å; K278-R282 PolarHBondContact O-N 3.28Å
279D95.3Very high89.1Confident25 Ų2546 Ų4613%0.13423%0.225CC..Hα-helixtrans-64.9-45.2-178.7-170.663.2000113.1E275 M276 V281 R282 K283 H301E275-D279 VanDerWaalsContact O-CB 3.24Å; E275-D279 WeakPolarHBondContact O-CB 3.47Å; E275-D279 PolarHBondContact O-N 2.95Å; M276-D279 PolarHBondContact O-N 3.15Å; D279-V281 VanDerWaalsContact C-N 3.28Å; D279-V281 PolarHBondContact O-N 3.39Å; D279-R282 PolarHBondContact O-N 2.86Å; D279-R282 IonicContact OD1-CZ 3.52Å; D279-R282 IonicContact OD1-NH1 3.59Å; D279-R282 PolarHBondContact OD1-NH1 3.49Å; D279-R282 IonicContact OD1-NH2 3.46Å; D279-R282 PolarHBondContact OD1-NH2 2.63Å; D279-K283 WeakPolarHBondContact O-CG 3.46Å; D279-K283 PolarHBondContact O-N 2.88Å; D279-K283 WeakPolarHBondContact OD2-CE 3.1Å; D279-K283 IonicContact OD2-NZ 2.63Å; D279-K283 PolarHBondContact OD2-NZ 2.79Å; D279-H301 IonicContact OD2-NE2 3.31Å; D279-H301 PolarHBondContact OD2-NE2 3.43Å
280I95.5Very high88.6Confident0 Ų049.9 Ų49.90%024%0.243CC..Hα-helixtrans-62.1-39.6177.3-164.7171.9000111.3M276 A277 K283 L284 L293 V298 H301 W303 L304M276-I280 PolarHBondContact O-N 3.25Å; M276-I280 VanDerWaalsContact O-N 3.14Å; A277-I280 WeakPolarHBondContact O-CG2 3.34Å; I280-K283 PolarHBondContact O-N 3.23Å; I280-L284 HydrophobicContact CG1-CD1 4.04Å; I280-L284 WeakPolarHBondContact O-CB 3.44Å; I280-L284 WeakPolarHBondContact O-CG 3.36Å; I280-L284 PolarHBondContact O-N 3.42Å; I280-L293 HydrophobicContact CG1-CD2 4.35Å; I280-V298 HydrophobicContact CD1-CG1 4.3Å; I280-H301 HydrophobicContact CD1-CB 3.89Å; I280-H301 HydrophobicContact CG1-CB 4.46Å; I280-W303 HydrophobicContact CD1-CE3 3.99Å; I280-W303 HydrophobicContact CG2-CD2 4.2Å; I280-W303 HydrophobicContact CG2-CE3 3.73Å; I280-W303 HydrophobicContact CG2-CZ3 4.22Å; I280-L304 HydrophobicContact CD1-CD1 4.37Å; I280-L304 HydrophobicContact CD1-CG 4.24Å
281V95.8Very high88Confident0 Ų054.5 Ų54.50%027%0.265CS..Hα-helixtrans-62.8-47.2175170.10000111I231 Y232 L235 F263 F265 A277 K278 D279 K283 L284 L285I231-V281 HydrophobicContact CB-CG2 4.09Å; I231-V281 HydrophobicContact CG2-CG2 3.51Å; Y232-V281 HydrophobicContact CD2-CG1 3.85Å; L235-V281 HydrophobicContact CD1-CG2 4.29Å; F263-V281 HydrophobicContact CE2-CG1 3.97Å; F263-V281 HydrophobicContact CZ-CG1 4.31Å; F265-V281 HydrophobicContact CE1-CB 4.47Å; F265-V281 HydrophobicContact CE1-CG1 4.03Å; F265-V281 HydrophobicContact CZ-CB 4.35Å; F265-V281 HydrophobicContact CZ-CG1 4.06Å; A277-V281 VanDerWaalsContact O-CG2 3.31Å; A277-V281 WeakPolarHBondContact O-CG2 3.48Å; A277-V281 PolarHBondContact O-N 3.41Å; K278-V281 PolarHBondContact O-N 2.97Å; D279-V281 VanDerWaalsContact C-N 3.28Å; D279-V281 PolarHBondContact O-N 3.39Å; V281-K283 VanDerWaalsContact C-N 3.28Å; V281-K283 PolarHBondContact O-N 2.83Å; V281-L284 PolarHBondContact O-N 2.92Å; V281-L285 HydrophobicContact CG1-CD1 3.79Å; V281-L285 HydrophobicContact CG1-CG 4.34Å; V281-L285 WeakPolarHBondContact O-CB 3.49Å; V281-L285 PolarHBondContact O-N 3.27Å
282R94.7Very high87.9Confident92 Ų9251.8 Ų51.835%0.34724%0.243SC..Hα-helixtrans-57.3-39.4176.1-77.2-172.7-82.8104-4.6112.7F263 F265 E275 K278 D279F263-R282 HydrophobicContact CZ-CG 4.36Å; F265-R282 HydrophobicContact CE2-CG 3.72Å; F265-R282 HydrophobicContact CZ-CG 3.9Å; E275-R282 IonicContact OE2-CZ 3.47Å; E275-R282 IonicContact OE2-NE 2.81Å; E275-R282 IonicContact OE2-NH2 2.79Å; E275-R282 PolarHBondContact OE2-NH2 2.89Å; K278-R282 WeakPolarHBondContact O-CG 3.3Å; K278-R282 PolarHBondContact O-N 3.28Å; D279-R282 PolarHBondContact O-N 2.86Å; D279-R282 IonicContact OD1-CZ 3.52Å; D279-R282 IonicContact OD1-NH1 3.59Å; D279-R282 PolarHBondContact OD1-NH1 3.49Å; D279-R282 IonicContact OD1-NH2 3.46Å; D279-R282 PolarHBondContact OD1-NH2 2.63Å
283K94Very high88Confident80 Ų8047 Ų4735%0.34822%0.222SC..Hα-helixtrans-75.3-29.4179.5-70.5172.5171.8164.20113D279 I280 V281 L293D279-K283 WeakPolarHBondContact O-CG 3.46Å; D279-K283 PolarHBondContact O-N 2.88Å; D279-K283 WeakPolarHBondContact OD2-CE 3.1Å; D279-K283 IonicContact OD2-NZ 2.63Å; D279-K283 PolarHBondContact OD2-NZ 2.79Å; I280-K283 PolarHBondContact O-N 3.23Å; V281-K283 VanDerWaalsContact C-N 3.28Å; V281-K283 PolarHBondContact O-N 2.83Å; K283-L293 HydrophobicContact CB-CB 4.06Å; K283-L293 HydrophobicContact CB-CD2 4.24Å; K283-L293 HydrophobicContact CD-CD2 4.48Å; K283-L293 PolarHBondContact O-N 2.96Å; K283-L293 VanDerWaalsContact O-N 3.1Å
284L92.3Very high87.9Confident0 Ų050.4 Ų50.40%024%0.243CC..Hα-helixtrans-82.2-33.7176.7-73.5170.7000113.5L224 L227 I231 I280 V281 K286 R292 L293 V298L224-L284 HydrophobicContact CB-CD2 3.94Å; L224-L284 HydrophobicContact CD2-CD2 4.47Å; L224-L284 WeakPolarHBondContact O-CD2 3.41Å; L227-L284 HydrophobicContact CD2-CD1 4.34Å; L227-L284 HydrophobicContact CG-CD1 4.27Å; I231-L284 HydrophobicContact CD1-CD1 3.56Å; I280-L284 HydrophobicContact CG1-CD1 4.04Å; I280-L284 WeakPolarHBondContact O-CB 3.44Å; I280-L284 WeakPolarHBondContact O-CG 3.36Å; I280-L284 PolarHBondContact O-N 3.42Å; V281-L284 PolarHBondContact O-N 2.92Å; L284-K286 VanDerWaalsContact C-N 3.28Å; L284-K286 PolarHBondContact O-N 3.3Å; L284-R292 WeakPolarHBondContact O-CD 3.48Å; L284-R292 VanDerWaalsContact O-CG 3.24Å; L284-R292 WeakPolarHBondContact O-CG 3.33Å; L284-R292 PolarHBondContact O-NE 2.9Å; L284-R292 VanDerWaalsContact O-NE 3.09Å; L284-L293 HydrophobicContact CD2-CB 4.18Å; L284-V298 HydrophobicContact CD1-CG2 4.42Å; L284-V298 HydrophobicContact CD2-CG2 3.64Å; L284-V298 HydrophobicContact CG-CG2 4.37Å
285L88.6Confident87.8Confident3 Ų349.8 Ų49.82%0.01624%0.238CC..SBendtrans-91.424.8-178.9-61.4-176.2000113.6W225 V229 P240 F263 V281 V287W225-L285 HydrophobicContact CD2-CD2 3.93Å; W225-L285 HydrophobicContact CE3-CD2 4.21Å; W225-L285 HydrophobicContact CG-CD2 4.32Å; W225-L285 HydrophobicContact CZ2-CD2 4.38Å; W225-L285 HydrophobicContact CZ3-CB 4.45Å; W225-L285 WeakPolarHBondContact CZ3-O 3.44Å; V229-L285 HydrophobicContact CG2-CD2 3.8Å; P240-L285 HydrophobicContact CB-CD1 4.17Å; P240-L285 HydrophobicContact CG-CD1 4.04Å; F263-L285 HydrophobicContact CD1-CB 4.29Å; F263-L285 HydrophobicContact CD1-CD1 4.22Å; F263-L285 HydrophobicContact CD2-CD1 4.44Å; F263-L285 HydrophobicContact CE1-CB 3.47Å; F263-L285 VanDerWaalsContact CE1-CB 3.47Å; F263-L285 HydrophobicContact CE1-CD1 3.94Å; F263-L285 HydrophobicContact CE1-CG 4.36Å; F263-L285 HydrophobicContact CE2-CD1 4.16Å; F263-L285 HydrophobicContact CG-CD1 4.46Å; F263-L285 HydrophobicContact CZ-CB 3.77Å; F263-L285 HydrophobicContact CZ-CD1 3.9Å; F263-L285 HydrophobicContact CZ-CG 4.4Å; V281-L285 HydrophobicContact CG1-CD1 3.79Å; V281-L285 HydrophobicContact CG1-CG 4.34Å; V281-L285 WeakPolarHBondContact O-CB 3.49Å; V281-L285 PolarHBondContact O-N 3.27Å; L285-V287 PolarHBondContact O-N 3.37Å
286K83.6Confident87.7Confident90 Ų9051 Ų5139%0.39124%0.244SC..  trans-66129.7168.7-71.1-69.4-175.4171.50110.1W225 L284 K288 E291 R292W225-K286 WeakPolarHBondContact CZ3-O 3.22Å; L284-K286 VanDerWaalsContact C-N 3.28Å; L284-K286 PolarHBondContact O-N 3.3Å; K286-K288 PolarHBondContact O-N 3.45Å; K286-E291 HydrophobicContact CB-CB 4.29Å; K286-E291 HydrophobicContact CG-CB 4.41Å; K286-R292 HydrophobicContact CB-CB 4.46Å; K286-R292 PolarHBondContact O-NE 3.46Å; K286-R292 PolarHBondContact O-NH2 2.95Å
287V75.2Confident87.7Confident66 Ų6649 Ų4940%0.424%0.239SC..SBendtrans-59.3-49-178.3179.70000111M259 L285 P289 R292M259-V287 WeakPolarHBondContact O-CG1 3.07Å; L285-V287 PolarHBondContact O-N 3.37Å; V287-P289 WeakPolarHBondContact O-CD 3.47Å; V287-R292 PolarHBondContact O-NH2 3.4Å
288K69.5Low87.8Confident106 Ų10649 Ų4946%0.46124%0.239SC..SBendtrans-74120.2178.4-73.3175.2-176.1175.40110.4K286 E290 E291 R292K286-K288 PolarHBondContact O-N 3.45Å; K288-E290 HydrophobicContact CB-CG 4.39Å; K288-E290 PolarHBondContact O-N 3.35Å; K288-E291 HydrophobicContact CB-CB 4.29Å; K288-E291 HydrophobicContact CB-CG 4.11Å; K288-E291 HydrophobicContact CD-CG 4.23Å; K288-E291 WeakPolarHBondContact CD-OE1 3.34Å; K288-E291 IonicContact NZ-OE1 2.9Å; K288-E291 PolarHBondContact NZ-OE1 3.01Å; K288-E291 PolarHBondContact O-N 2.99Å; K288-E291 VanDerWaalsContact O-N 3.15Å; K288-R292 PolarHBondContact O-N 3.37Å
289P73.1Confident87.8Confident29 Ų2950 Ų5019%0.18825%0.246CC..G310 helixtrans-52.6-36.3177.9-31.339000114.7Y218 S221 V287 E291 R292Y218-P289 HydrophobicContact CD2-CG 3.98Å; Y218-P289 HydrophobicContact CE2-CG 4.28Å; S221-P289 WeakPolarHBondContact OG-CB 3.47Å; V287-P289 WeakPolarHBondContact O-CD 3.47Å; P289-E291 VanDerWaalsContact C-N 3.34Å; P289-R292 VanDerWaalsContact O-CB 3.25Å; P289-R292 WeakPolarHBondContact O-CB 3.23Å; P289-R292 PolarHBondContact O-N 3.03Å
290E74.9Confident87.7Confident135 Ų13552.1 Ų52.163%0.63127%0.267SS*.G310 helixtrans-73.1-22.1-17862.2-85.3-165.600114.2K288K288-E290 HydrophobicContact CB-CG 4.39Å; K288-E290 PolarHBondContact O-N 3.35Å
291E79.6Confident87.6Confident100 Ų10052.5 Ų52.547%0.46727%0.268SS..G310 helixtrans-91.2-7.4174.5-64.5179.4-168.700111.7K286 K288 P289K286-E291 HydrophobicContact CB-CB 4.29Å; K286-E291 HydrophobicContact CG-CB 4.41Å; K288-E291 HydrophobicContact CB-CB 4.29Å; K288-E291 HydrophobicContact CB-CG 4.11Å; K288-E291 HydrophobicContact CD-CG 4.23Å; K288-E291 WeakPolarHBondContact CD-OE1 3.34Å; K288-E291 IonicContact NZ-OE1 2.9Å; K288-E291 PolarHBondContact NZ-OE1 3.01Å; K288-E291 PolarHBondContact O-N 2.99Å; K288-E291 VanDerWaalsContact O-N 3.15Å; P289-E291 VanDerWaalsContact C-N 3.34Å
292R87Confident87.4Confident16 Ų1656.3 Ų56.36%0.0629%0.293CS..SBendtrans-75.6141.1-178-165.3172.3-61.8133.514110.2S221 L224 L284 K286 V287 K288 P289 T294S221-R292 PolarHBondContact O-NH1 2.9Å; S221-R292 PolarHBondContact OG-NH1 3.4Å; L224-R292 HydrophobicContact CB-CG 4.44Å; L284-R292 WeakPolarHBondContact O-CD 3.48Å; L284-R292 VanDerWaalsContact O-CG 3.24Å; L284-R292 WeakPolarHBondContact O-CG 3.33Å; L284-R292 PolarHBondContact O-NE 2.9Å; L284-R292 VanDerWaalsContact O-NE 3.09Å; K286-R292 HydrophobicContact CB-CB 4.46Å; K286-R292 PolarHBondContact O-NE 3.46Å; K286-R292 PolarHBondContact O-NH2 2.95Å; V287-R292 PolarHBondContact O-NH2 3.4Å; K288-R292 PolarHBondContact O-N 3.37Å; P289-R292 VanDerWaalsContact O-CB 3.25Å; P289-R292 WeakPolarHBondContact O-CB 3.23Å; P289-R292 PolarHBondContact O-N 3.03Å; R292-T294 PolarHBondContact O-N 3Å
293L88.9Confident87.4Confident34 Ų3452.1 Ų52.118%0.17828%0.277CS..PPolyproline II helixtrans-55.4133.8174.4-162.959.9000110.4L224 I280 K283 L284 V298L224-L293 WeakPolarHBondContact CD1-O 3.26Å; I280-L293 HydrophobicContact CG1-CD2 4.35Å; K283-L293 HydrophobicContact CB-CB 4.06Å; K283-L293 HydrophobicContact CB-CD2 4.24Å; K283-L293 HydrophobicContact CD-CD2 4.48Å; K283-L293 PolarHBondContact O-N 2.96Å; K283-L293 VanDerWaalsContact O-N 3.1Å; L284-L293 HydrophobicContact CD2-CB 4.18Å; L293-V298 HydrophobicContact CB-CG2 4.39Å; L293-V298 HydrophobicContact CD2-CB 4.4Å; L293-V298 HydrophobicContact CD2-CG2 3.72Å; L293-V298 HydrophobicContact CG-CG2 4Å
294T89.7Confident87.3Confident76 Ų7648.5 Ų48.547%0.46626%0.262SS..PPolyproline II helixtrans-76.1166.4173.477.80000110.8R292 E296 G297 V298R292-T294 PolarHBondContact O-N 3Å; T294-E296 VanDerWaalsContact C-N 3.27Å; T294-E296 VanDerWaalsContact CB-OE2 3.32Å; T294-E296 WeakPolarHBondContact CB-OE2 3.42Å; T294-E296 PolarHBondContact O-N 3.14Å; T294-E296 PolarHBondContact OG1-OE2 3.34Å; T294-G297 CarbonylContact O-C 3.49Å; T294-G297 WeakPolarHBondContact O-CA 3.42Å; T294-G297 PolarHBondContact O-N 3.01Å; T294-G297 VanDerWaalsContact O-N 3.09Å; T294-G297 PolarHBondContact OG1-N 3.47Å; T294-V298 WeakPolarHBondContact O-CG2 3.44Å; T294-V298 PolarHBondContact O-N 2.99Å
295I92.6Very high86.6Confident5 Ų552.6 Ų52.63%0.02628%0.284CS..Hα-helixtrans-64.2-33.7-180-167.561000112.4L136 A137 H140 L224 V298 L299L136-I295 HydrophobicContact CB-CD1 3.83Å; L136-I295 HydrophobicContact CB-CG1 4.33Å; L136-I295 HydrophobicContact CD1-CD1 4.45Å; A137-I295 HydrophobicContact CB-CG1 3.69Å; A137-I295 HydrophobicContact CB-CG2 4.44Å; H140-I295 HydrophobicContact CB-CG2 4.27Å; L224-I295 HydrophobicContact CD2-CB 4.05Å; L224-I295 HydrophobicContact CD2-CD1 3.7Å; L224-I295 HydrophobicContact CD2-CG1 4.43Å; I295-V298 HydrophobicContact CD1-CB 4.44Å; I295-V298 WeakPolarHBondContact O-CB 3.3Å; I295-V298 PolarHBondContact O-N 2.93Å; I295-L299 PolarHBondContact O-N 2.78Å
296E90.8Very high85.4Confident125 Ų12555.1 Ų55.158%0.58430%0.301SS*.Hα-helixtrans-65.8-41.8173-57.173.5-158.600110.6T294 V298 L299 A300T294-E296 VanDerWaalsContact C-N 3.27Å; T294-E296 VanDerWaalsContact CB-OE2 3.32Å; T294-E296 WeakPolarHBondContact CB-OE2 3.42Å; T294-E296 PolarHBondContact O-N 3.14Å; T294-E296 PolarHBondContact OG1-OE2 3.34Å; E296-V298 VanDerWaalsContact C-N 3.31Å; E296-V298 PolarHBondContact O-N 2.97Å; E296-L299 PolarHBondContact O-N 3.39Å; E296-A300 WeakPolarHBondContact O-CB 3.42Å; E296-A300 PolarHBondContact O-N 3.49Å
297G92.3Very high84Confident21 Ų2157.6 Ų57.622%0.21632%0.324CS..Hα-helixtrans-62.8-36.1174.500000112.9T294 H301T294-G297 CarbonylContact O-C 3.49Å; T294-G297 WeakPolarHBondContact O-CA 3.42Å; T294-G297 PolarHBondContact O-N 3.01Å; T294-G297 VanDerWaalsContact O-N 3.09Å; T294-G297 PolarHBondContact OG1-N 3.47Å; G297-H301 PolarHBondContact O-N 3.19Å; G297-H301 VanDerWaalsContact O-N 3.14Å
298V95.6Very high83.1Confident0 Ų060.8 Ų60.80%034%0.335CS..Hα-helixtrans-63.7-52.6172.8171.20000110.3S133 L224 L227 I280 L284 L293 T294 I295 E296 A300 H301 L304S133-V298 VanDerWaalsContact OG-CG1 3.31Å; S133-V298 WeakPolarHBondContact OG-CG1 3.16Å; L224-V298 HydrophobicContact CD2-CG2 4.4Å; L227-V298 HydrophobicContact CD2-CG1 4.04Å; I280-V298 HydrophobicContact CD1-CG1 4.3Å; L284-V298 HydrophobicContact CD1-CG2 4.42Å; L284-V298 HydrophobicContact CD2-CG2 3.64Å; L284-V298 HydrophobicContact CG-CG2 4.37Å; L293-V298 HydrophobicContact CB-CG2 4.39Å; L293-V298 HydrophobicContact CD2-CB 4.4Å; L293-V298 HydrophobicContact CD2-CG2 3.72Å; L293-V298 HydrophobicContact CG-CG2 4Å; T294-V298 WeakPolarHBondContact O-CG2 3.44Å; T294-V298 PolarHBondContact O-N 2.99Å; I295-V298 HydrophobicContact CD1-CB 4.44Å; I295-V298 WeakPolarHBondContact O-CB 3.3Å; I295-V298 PolarHBondContact O-N 2.93Å; E296-V298 VanDerWaalsContact C-N 3.31Å; E296-V298 PolarHBondContact O-N 2.97Å; V298-A300 PolarHBondContact O-N 3.37Å; V298-H301 WeakPolarHBondContact O-CB 3.35Å; V298-H301 PolarHBondContact O-N 3.12Å; V298-L304 HydrophobicContact CG1-CD1 3.69Å; V298-L304 WeakPolarHBondContact O-CD1 3.49Å
299L94.6Very high83.1Confident48 Ų4856.4 Ų56.425%0.25132%0.318SS..Hα-helixtrans-63.6-28-179.4-73.6175000113.1Q134 A137 I295 E296 H301 N305Q134-L299 HydrophobicContact CG-CD2 3.96Å; A137-L299 HydrophobicContact CB-CD1 3.59Å; I295-L299 PolarHBondContact O-N 2.78Å; E296-L299 PolarHBondContact O-N 3.39Å; L299-H301 VanDerWaalsContact C-N 3.34Å; L299-N305 PolarHBondContact O-ND2 3.38Å; L299-N305 PolarHBondContact O-OD1 3.23Å
300A93.4Very high83.4Confident69 Ų6959 Ų5957%0.5733%0.33SS*.THydrogen-bonded Turntrans-82.3-10.2173.600000113.4E296 V298E296-A300 WeakPolarHBondContact O-CB 3.42Å; E296-A300 PolarHBondContact O-N 3.49Å; V298-A300 PolarHBondContact O-N 3.37Å
301H94.5Very high83.9Confident7 Ų758 Ų583%0.03233%0.329CS..  trans-63.3133.2-173.7-163.1-87.2000111.2M276 D279 I280 G297 V298 L299 W303 L304 N305M276-H301 PolarHBondContact O-CE1 2.98Å; D279-H301 IonicContact OD2-NE2 3.31Å; D279-H301 PolarHBondContact OD2-NE2 3.43Å; I280-H301 HydrophobicContact CD1-CB 3.89Å; I280-H301 HydrophobicContact CG1-CB 4.46Å; G297-H301 PolarHBondContact O-N 3.19Å; G297-H301 VanDerWaalsContact O-N 3.14Å; V298-H301 WeakPolarHBondContact O-CB 3.35Å; V298-H301 PolarHBondContact O-N 3.12Å; L299-H301 VanDerWaalsContact C-N 3.34Å; H301-W303 VanDerWaalsContact ND1-CB 3.32Å; H301-W303 WeakPolarHBondContact ND1-CB 3.42Å; H301-W303 PolarHBondContact ND1-N 3.45Å; H301-W303 PolarHBondContact O-N 2.96Å; H301-W303 VanDerWaalsContact O-N 3.09Å; H301-L304 PolarHBondContact O-N 2.71Å; H301-N305 PolarHBondContact O-N 3.16Å
302P91.6Very high84.2Confident81 Ų8154.9 Ų54.953%0.52632%0.315SS..Hα-helixtrans-53-37.3-177.1-29.435.5000113.9M276 L304 N305 C306M276-P302 HydrophobicContact SD-CB 4.48Å; P302-L304 PolarHBondContact O-N 3.28Å; P302-N305 PolarHBondContact O-N 2.95Å; P302-C306 PolarHBondContact O-N 3Å
303W94.1Very high84.4Confident3 Ų357.7 Ų57.71%0.01133%0.334CS..Hα-helixtrans-54.9-32.5176.7-169.564000114.1E122 A125 S126 T129 I231 L235 M276 A277 I280 H301E122-W303 HydrophobicContact CG-CZ2 4.19Å; E122-W303 PolarHBondContact OE1-NE1 2.92Å; A125-W303 HydrophobicContact CB-CH2 4.39Å; A125-W303 HydrophobicContact CB-CZ2 4.36Å; S126-W303 PolarHBondContact OG-O 3.39Å; T129-W303 HydrophobicContact CG2-CZ3 3.92Å; I231-W303 HydrophobicContact CG1-CZ3 4.5Å; I231-W303 HydrophobicContact CG2-CH2 3.92Å; I231-W303 HydrophobicContact CG2-CZ3 4Å; L235-W303 HydrophobicContact CD2-CZ2 4.07Å; M276-W303 HydrophobicContact CB-CB 4.21Å; A277-W303 HydrophobicContact CB-CD2 4.43Å; A277-W303 HydrophobicContact CB-CZ2 4.2Å; I280-W303 HydrophobicContact CD1-CE3 3.99Å; I280-W303 HydrophobicContact CG2-CD2 4.2Å; I280-W303 HydrophobicContact CG2-CE3 3.73Å; I280-W303 HydrophobicContact CG2-CZ3 4.22Å; H301-W303 VanDerWaalsContact ND1-CB 3.32Å; H301-W303 WeakPolarHBondContact ND1-CB 3.42Å; H301-W303 PolarHBondContact ND1-N 3.45Å; H301-W303 PolarHBondContact O-N 2.96Å; H301-W303 VanDerWaalsContact O-N 3.09Å
304L90.7Very high84.5Confident4 Ų456.2 Ų56.22%0.02133%0.327CS..Hα-helixtrans-93.8-20.7-179.3-60.9-169.9000114.7S126 T129 K130 I280 V298 H301 P302S126-L304 WeakPolarHBondContact O-CD2 3.45Å; T129-L304 HydrophobicContact CG2-CD1 4.11Å; T129-L304 HydrophobicContact CG2-CD2 3.7Å; K130-L304 HydrophobicContact CB-CD2 4.47Å; K130-L304 PolarHBondContact NZ-O 2.91Å; K130-L304 VanDerWaalsContact NZ-O 3.14Å; I280-L304 HydrophobicContact CD1-CD1 4.37Å; I280-L304 HydrophobicContact CD1-CG 4.24Å; V298-L304 HydrophobicContact CG1-CD1 3.69Å; V298-L304 WeakPolarHBondContact O-CD1 3.49Å; H301-L304 PolarHBondContact O-N 2.71Å; P302-L304 PolarHBondContact O-N 3.28Å
305N79.4Confident84.3Confident87 Ų8754.3 Ų54.347%0.46532%0.315SS..Hα-helixtrans-100-14.8-179-70.2-32.6000113.8K130 L299 H301 P302K130-N305 PolarHBondContact NZ-OD1 3.2Å; L299-N305 PolarHBondContact O-ND2 3.38Å; L299-N305 PolarHBondContact O-OD1 3.23Å; H301-N305 PolarHBondContact O-N 3.16Å; P302-N305 PolarHBondContact O-N 2.95Å
306C62.8Low84Confident56 Ų5654 Ų5438%0.37831%0.314SS..  trans55.799.4157.7-146.70000117.2P302 A309P302-C306 PolarHBondContact O-N 3Å; C306-A309 WeakPolarHBondContact SG-CB 3.45Å; C306-A309 PolarHBondContact SG-N 2.83Å
307T53.4Low83.8Confident141 Ų14148.2 Ų48.287%0.86529%0.287SS*.SBendtrans-105.6-4.6135.339.90000112.5
308E56.6Low83.3Confident134 Ų13454.4 Ų54.463%0.62631%0.31SS*.  trans-144.23.8-160.4-66.6-178.4-158.100117.6L310E308-L310 PolarHBondContact O-N 3.24Å
309A70Confident82.6Confident14 Ų1457.8 Ų57.812%0.11633%0.327CS..  trans-66.6122.6171.200000109.1C306C306-A309 WeakPolarHBondContact SG-CB 3.45Å; C306-A309 PolarHBondContact SG-N 2.83Å
310L78.4Confident82.1Confident83 Ų8355.5 Ų55.544%0.43532%0.315SS..  trans-71.8149.5-172.8-64.5178.6000110.9E122 K123 E308 N312E122-L310 WeakPolarHBondContact CB-O 3.43Å; K123-L310 PolarHBondContact N-O 3.47Å; E308-L310 PolarHBondContact O-N 3.24Å; L310-N312 WeakPolarHBondContact CB-OD1 3.41Å; L310-N312 PolarHBondContact O-N 3.27Å
311D85.5Confident81.4Confident114 Ų11457 Ų5761%0.6131%0.311SS*.  trans-93.223.6174.6-150.815000111.8T121T121-D311 WeakPolarHBondContact CB-OD1 3.42Å; T121-D311 WeakPolarHBondContact CG2-OD1 3.25Å; T121-D311 PolarHBondContact OG1-OD1 2.86Å
312N87.3Confident80.6Confident35 Ų3561 Ų6119%0.18733%0.333CS..PPolyproline II helixtrans-71.4139.5175.164.5-57.9000110T121 E122 Q272 L310 L314T121-N312 WeakPolarHBondContact CA-O 3.41Å; T121-N312 VanDerWaalsContact CB-O 3.29Å; T121-N312 WeakPolarHBondContact CB-O 3.41Å; E122-N312 WeakPolarHBondContact CB-OD1 3.38Å; E122-N312 PolarHBondContact N-O 2.93Å; E122-N312 VanDerWaalsContact N-O 3.13Å; Q272-N312 PolarHBondContact O-ND2 2.92Å; L310-N312 WeakPolarHBondContact CB-OD1 3.41Å; L310-N312 PolarHBondContact O-N 3.27Å; N312-L314 PolarHBondContact O-N 2.81Å
313V89.5Confident79.9Confident75 Ų7564.7 Ų64.746%0.45534%0.341SS..BIsolated β-bridgetrans-67.5129.4172.4-179.10000108.7T121T121-V313 HydrophobicContact CG2-CG2 4.33Å
314L90.8Very high79Confident3 Ų367.8 Ų67.82%0.01637%0.367CS..PPolyproline II helixtrans-82.8146.9178.5-67.5170.7000110.8F120 E122 A125 L235 I273 N312 S316F120-L314 HydrophobicContact CD1-CB 4.47Å; F120-L314 HydrophobicContact CD1-CD1 3.73Å; F120-L314 HydrophobicContact CE1-CD1 3.8Å; F120-L314 WeakPolarHBondContact O-CB 3.25Å; F120-L314 PolarHBondContact O-N 2.91Å; E122-L314 HydrophobicContact CB-CD2 4.02Å; E122-L314 HydrophobicContact CB-CG 4.36Å; E122-L314 HydrophobicContact CG-CD2 4.49Å; A125-L314 HydrophobicContact CB-CD1 3.86Å; L235-L314 HydrophobicContact CD2-CD1 4.05Å; L235-L314 HydrophobicContact CD2-CD2 3.96Å; I273-L314 HydrophobicContact CD1-CD2 4.24Å; I273-L314 HydrophobicContact CG1-CD2 3.84Å; N312-L314 PolarHBondContact O-N 2.81Å; L314-S316 PolarHBondContact O-N 3.18Å
315P87Confident78.3Confident35 Ų3570.4 Ų70.423%0.22738%0.383CS..THydrogen-bonded Turntrans-68.2-18.5176.627.5-34.4000113.2L235 E269 A317 Q318 M319L235-P315 WeakPolarHBondContact O-CD 3.39Å; E269-P315 HydrophobicContact CB-CG 3.95Å; P315-A317 VanDerWaalsContact C-N 3.33Å; P315-A317 PolarHBondContact O-N 3.29Å; P315-Q318 PolarHBondContact O-N 2.85Å; P315-Q318 VanDerWaalsContact O-N 3.1Å; P315-M319 PolarHBondContact O-N 3.05Å; P315-M319 VanDerWaalsContact O-N 3.11Å
316S86.3Confident78.2Confident0 Ų066.8 Ų66.80%036%0.364CS..Hα-helixtrans-55.5-41.8-176.457.20000113.8M234 L314 Q318 M319 M320M234-S316 WeakPolarHBondContact O-CB 3.47Å; M234-S316 PolarHBondContact O-OG 3.29Å; L314-S316 PolarHBondContact O-N 3.18Å; S316-Q318 VanDerWaalsContact C-N 3.29Å; S316-Q318 PolarHBondContact O-N 2.91Å; S316-M319 PolarHBondContact O-N 3.1Å; S316-M320 WeakPolarHBondContact O-CB 3.33Å; S316-M320 VanDerWaalsContact O-CG 3.24Å; S316-M320 WeakPolarHBondContact O-CG 3.5Å; S316-M320 PolarHBondContact O-N 3.33Å
317A85.1Confident79Confident2 Ų266.5 Ų66.52%0.01737%0.366CS..Hα-helixtrans-58.4-41.517800000112.3I114 H117 F120 P315 M321I114-A317 HydrophobicContact CG2-CB 4.41Å; H117-A317 WeakPolarHBondContact O-CB 3.23Å; F120-A317 HydrophobicContact CB-CB 4.07Å; P315-A317 VanDerWaalsContact C-N 3.33Å; P315-A317 PolarHBondContact O-N 3.29Å; A317-M321 WeakPolarHBondContact O-CG 3.38Å
318Q83Confident80.1Confident151 Ų15161.4 Ų61.471%0.70634%0.341SS*.Hα-helixtrans-72-43.3179.6-174.4174.7-5.200111.8P315 S316 M320 M321P315-Q318 PolarHBondContact O-N 2.85Å; P315-Q318 VanDerWaalsContact O-N 3.1Å; S316-Q318 VanDerWaalsContact C-N 3.29Å; S316-Q318 PolarHBondContact O-N 2.91Å; Q318-M320 VanDerWaalsContact C-N 3.29Å; Q318-M320 PolarHBondContact O-N 3.27Å; Q318-M321 WeakPolarHBondContact O-CG 3.47Å; Q318-M321 PolarHBondContact O-N 3.48Å
319M81.3Confident81Confident72 Ų7255.3 Ų55.336%0.35531%0.313SS..Hα-helixtrans-66-32.2179.5-67.9-170.172.500112.8Y238 E269 P315 S316 M321Y238-M319 HydrophobicContact CD1-CE 3.66Å; Y238-M319 HydrophobicContact CD1-SD 3.87Å; Y238-M319 HydrophobicContact CE1-CE 4.33Å; Y238-M319 HydrophobicContact CE1-SD 4.24Å; E269-M319 HydrophobicContact CG-SD 4.29Å; P315-M319 PolarHBondContact O-N 3.05Å; P315-M319 VanDerWaalsContact O-N 3.11Å; S316-M319 PolarHBondContact O-N 3.1Å; M319-M321 VanDerWaalsContact C-N 3.35Å
320M82.9Confident81.5Confident0 Ų056.1 Ų56.10%031%0.314CS..THydrogen-bonded Turntrans-85.40.7-179.2-66.2-173.7-166.200114.3F111 I114 S115 I233 S316 Q318 D322 V326F111-M320 HydrophobicContact CB-SD 3.9Å; F111-M320 HydrophobicContact CD1-CE 4.02Å; F111-M320 HydrophobicContact CD1-SD 4.2Å; F111-M320 HydrophobicContact CE1-CE 4.32Å; F111-M320 HydrophobicContact CG-CE 4.2Å; F111-M320 HydrophobicContact CG-SD 4.08Å; I114-M320 HydrophobicContact CB-SD 4.34Å; I114-M320 HydrophobicContact CG2-SD 4.06Å; S115-M320 WeakPolarHBondContact CB-O 3.29Å; I233-M320 HydrophobicContact CG2-CE 3.41Å; I233-M320 VanDerWaalsContact CG2-CE 3.41Å; I233-M320 VanDerWaalsContact O-CE 3.25Å; I233-M320 WeakPolarHBondContact O-CE 3.47Å; S316-M320 WeakPolarHBondContact O-CB 3.33Å; S316-M320 VanDerWaalsContact O-CG 3.24Å; S316-M320 WeakPolarHBondContact O-CG 3.5Å; S316-M320 PolarHBondContact O-N 3.33Å; Q318-M320 VanDerWaalsContact C-N 3.29Å; Q318-M320 PolarHBondContact O-N 3.27Å; M320-D322 PolarHBondContact O-N 3Å; M320-V326 HydrophobicContact CB-CG2 3.74Å; M320-V326 HydrophobicContact CG-CG2 4.16Å; M320-V326 VanDerWaalsContact O-CG2 3.25Å; M320-V326 WeakPolarHBondContact O-CG2 3.45Å
321M78.8Confident81.5Confident100 Ų10057.4 Ų57.449%0.49332%0.318SS..THydrogen-bonded Turntrans-59.9-30.3178-71.3-170.8-178.200112.6K118 A317 Q318 M319K118-M321 HydrophobicContact CG-CE 4.09Å; A317-M321 WeakPolarHBondContact O-CG 3.38Å; Q318-M321 WeakPolarHBondContact O-CG 3.47Å; Q318-M321 PolarHBondContact O-N 3.48Å; M319-M321 VanDerWaalsContact C-N 3.35Å
322D78.6Confident80.9Confident91 Ų9153 Ų5349%0.48730%0.297SS..SBendtrans-81117.2173.6-173.4-8.4000110.9M320 A324 V325 V326M320-D322 PolarHBondContact O-N 3Å; D322-A324 PolarHBondContact O-N 3.34Å; D322-A324 WeakPolarHBondContact OD1-CB 2.84Å; D322-A324 PolarHBondContact OD1-N 2.89Å; D322-V325 HydrophobicContact CB-CB 4.19Å; D322-V325 HydrophobicContact CB-CG2 3.79Å; D322-V325 WeakPolarHBondContact O-CB 3.49Å; D322-V325 PolarHBondContact O-N 3.25Å; D322-V325 VanDerWaalsContact O-N 3.08Å; D322-V326 PolarHBondContact O-N 3.47Å
323K75.6Confident80.3Confident159 Ų15951.4 Ų51.469%0.69129%0.289SS*.Hα-helixtrans-59.1-31.7176.9-68.2-174.4179-178.30112.8V325 V326 A327K323-V325 VanDerWaalsContact C-N 3.33Å; K323-V326 PolarHBondContact O-N 3.02Å; K323-A327 WeakPolarHBondContact O-CB 3.48Å; K323-A327 PolarHBondContact O-N 3.45Å
324A76.3Confident79.5Confident67 Ų6749.7 Ų49.755%0.55428%0.282SS*.Hα-helixtrans-67.6-37177.300000111.5D322 A327 G328D322-A324 PolarHBondContact O-N 3.34Å; D322-A324 WeakPolarHBondContact OD1-CB 2.84Å; D322-A324 PolarHBondContact OD1-N 2.89Å; A324-A327 PolarHBondContact O-N 2.92Å; A324-G328 PolarHBondContact O-N 2.97Å
325V75.7Confident78.5Confident59 Ų5952.2 Ų52.236%0.35829%0.294SS..Hα-helixtrans-64-48.8174.91750000110D322 K323 A327 G328 I329D322-V325 HydrophobicContact CB-CB 4.19Å; D322-V325 HydrophobicContact CB-CG2 3.79Å; D322-V325 WeakPolarHBondContact O-CB 3.49Å; D322-V325 PolarHBondContact O-N 3.25Å; D322-V325 VanDerWaalsContact O-N 3.08Å; K323-V325 VanDerWaalsContact C-N 3.33Å; V325-A327 VanDerWaalsContact C-N 3.33Å; V325-A327 PolarHBondContact O-N 3.17Å; V325-G328 PolarHBondContact O-N 3.03Å; V325-G328 VanDerWaalsContact O-N 3.14Å; V325-I329 HydrophobicContact CG1-CD1 3.89Å; V325-I329 HydrophobicContact CG1-CG1 4.45Å; V325-I329 VanDerWaalsContact O-CG1 3.26Å; V325-I329 WeakPolarHBondContact O-CG1 3.44Å; V325-I329 PolarHBondContact O-N 2.81Å
326V77.6Confident77.6Confident11 Ų1150.9 Ų50.97%0.06729%0.285CS..Hα-helixtrans-58.6-44177.8178.30000111.8F111 M320 D322 K323 G328 I329 Q330F111-V326 HydrophobicContact CB-CG1 4.03Å; M320-V326 HydrophobicContact CB-CG2 3.74Å; M320-V326 HydrophobicContact CG-CG2 4.16Å; M320-V326 VanDerWaalsContact O-CG2 3.25Å; M320-V326 WeakPolarHBondContact O-CG2 3.45Å; D322-V326 PolarHBondContact O-N 3.47Å; K323-V326 PolarHBondContact O-N 3.02Å; V326-G328 VanDerWaalsContact C-N 3.35Å; V326-G328 PolarHBondContact O-N 3.37Å; V326-I329 WeakPolarHBondContact O-CB 3.19Å; V326-I329 PolarHBondContact O-N 3.43Å; V326-Q330 WeakPolarHBondContact O-CG 3.46Å; V326-Q330 PolarHBondContact O-N 3.01Å
327A79.3Confident76.8Confident51 Ų5151.1 Ų51.142%0.42129%0.286SS..Hα-helixtrans-62.8-40.1176.900000112.4K323 A324 V325 Q330 Q331K323-A327 WeakPolarHBondContact O-CB 3.48Å; K323-A327 PolarHBondContact O-N 3.45Å; A324-A327 PolarHBondContact O-N 2.92Å; V325-A327 VanDerWaalsContact C-N 3.33Å; V325-A327 PolarHBondContact O-N 3.17Å; A327-Q330 PolarHBondContact O-N 2.87Å; A327-Q331 WeakPolarHBondContact O-CB 3.44Å; A327-Q331 PolarHBondContact O-N 2.98Å
328G76.3Confident75.9Confident33 Ų3353.7 Ų53.734%0.3431%0.307SS..Hα-helixtrans-64.1-39.7175.500000112.9A324 V325 V326 A332A324-G328 PolarHBondContact O-N 2.97Å; V325-G328 PolarHBondContact O-N 3.03Å; V325-G328 VanDerWaalsContact O-N 3.14Å; V326-G328 VanDerWaalsContact C-N 3.35Å; V326-G328 PolarHBondContact O-N 3.37Å; G328-A332 WeakPolarHBondContact O-CB 3.1Å; G328-A332 PolarHBondContact O-N 3.01Å
329I76.4Confident75Confident7 Ų751.8 Ų51.84%0.03630%0.302CS..Hα-helixtrans-62.5-48.2174.9-66.4167.7000110.7F111 I233 G237 V325 V326 A332 H333F111-I329 HydrophobicContact CD2-CG2 4.15Å; F111-I329 HydrophobicContact CE2-CG2 3.82Å; I233-I329 HydrophobicContact CD1-CG2 3.77Å; I233-I329 HydrophobicContact CG1-CG2 4.28Å; I233-I329 HydrophobicContact CG2-CG2 3.79Å; G237-I329 WeakPolarHBondContact O-CD1 3.37Å; V325-I329 HydrophobicContact CG1-CD1 3.89Å; V325-I329 HydrophobicContact CG1-CG1 4.45Å; V325-I329 VanDerWaalsContact O-CG1 3.26Å; V325-I329 WeakPolarHBondContact O-CG1 3.44Å; V325-I329 PolarHBondContact O-N 2.81Å; V326-I329 WeakPolarHBondContact O-CB 3.19Å; V326-I329 PolarHBondContact O-N 3.43Å; I329-A332 PolarHBondContact O-N 3.38Å; I329-H333 PolarHBondContact O-N 2.86Å
330Q79.1Confident74Confident31 Ų3149.7 Ų49.715%0.14529%0.291CS..Hα-helixtrans-58.3-48.7177.9-77.8176.7-29.700111.3E109 E152 V326 A327 A332 H333 A334E109-Q330 PolarHBondContact OE2-NE2 2.83Å; E152-Q330 HydrophobicContact CG-CG 4.46Å; E152-Q330 WeakPolarHBondContact OE1-CB 3.4Å; V326-Q330 WeakPolarHBondContact O-CG 3.46Å; V326-Q330 PolarHBondContact O-N 3.01Å; A327-Q330 PolarHBondContact O-N 2.87Å; Q330-A332 PolarHBondContact O-N 3.08Å; Q330-H333 PolarHBondContact O-N 3.03Å; Q330-A334 WeakPolarHBondContact O-CB 3.39Å; Q330-A334 PolarHBondContact O-N 2.76Å
331Q78.5Confident73Confident110 Ų11052.1 Ų52.151%0.51430%0.301SS..Hα-helixtrans-58.7-48.5177.1-177.4178-5.100112A327 H333 A334 E335A327-Q331 WeakPolarHBondContact O-CB 3.44Å; A327-Q331 PolarHBondContact O-N 2.98Å; Q331-H333 VanDerWaalsContact C-N 3.31Å; Q331-H333 PolarHBondContact O-N 3.1Å; Q331-A334 PolarHBondContact O-N 3.09Å; Q331-E335 WeakPolarHBondContact CG-OE1 3.41Å; Q331-E335 PolarHBondContact NE2-OE1 3.04Å; Q331-E335 WeakPolarHBondContact O-CG 3.44Å; Q331-E335 PolarHBondContact O-N 3.22Å
332A72.8Confident72Confident21 Ų2150.6 Ų50.617%0.17429%0.294CS..Hα-helixtrans-60.6-40.7-179.600000112.1G328 I329 Q330 Q336G328-A332 WeakPolarHBondContact O-CB 3.1Å; G328-A332 PolarHBondContact O-N 3.01Å; I329-A332 PolarHBondContact O-N 3.38Å; Q330-A332 PolarHBondContact O-N 3.08Å; A332-Q336 WeakPolarHBondContact O-CB 3.49Å; A332-Q336 PolarHBondContact O-N 2.85Å
333H74.8Confident70.7Confident2 Ų253.1 Ų53.11%0.00930%0.302CS..Hα-helixtrans-69.8-41.5177.8-171.1-168000111.9L149 P151 I329 Q330 Q331 E335 Q336 L337L149-H333 PolarHBondContact O-CE1 3.49Å; P151-H333 VanDerWaalsContact CD-ND1 3.32Å; P151-H333 WeakPolarHBondContact CD-ND1 3.3Å; I329-H333 PolarHBondContact O-N 2.86Å; Q330-H333 PolarHBondContact O-N 3.03Å; Q331-H333 VanDerWaalsContact C-N 3.31Å; Q331-H333 PolarHBondContact O-N 3.1Å; H333-E335 VanDerWaalsContact C-N 3.32Å; H333-E335 PolarHBondContact O-N 2.72Å; H333-Q336 PolarHBondContact O-N 2.71Å; H333-L337 WeakPolarHBondContact O-CB 3.37Å; H333-L337 PolarHBondContact O-N 2.99Å
334A73.8Confident69.7Low38 Ų3849.6 Ų49.631%0.31429%0.291SS..Hα-helixtrans-59.8-41.8175.500000112.1Q330 Q331 L337 A338Q330-A334 WeakPolarHBondContact O-CB 3.39Å; Q330-A334 PolarHBondContact O-N 2.76Å; Q331-A334 PolarHBondContact O-N 3.09Å; A334-L337 PolarHBondContact O-N 3Å; A334-A338 WeakPolarHBondContact O-CB 3.29Å; A334-A338 PolarHBondContact O-N 2.96Å
335E69.1Low68.2Low57 Ų5752.2 Ų52.227%0.26630%0.295SS..Hα-helixtrans-67.2-39.9176-71.1177.8-167.200112.4I250 Q331 H333 A338 N339I250-E335 HydrophobicContact CD1-CB 4.19Å; I250-E335 WeakPolarHBondContact CG1-OE2 3.26Å; Q331-E335 WeakPolarHBondContact CG-OE1 3.41Å; Q331-E335 PolarHBondContact NE2-OE1 3.04Å; Q331-E335 WeakPolarHBondContact O-CG 3.44Å; Q331-E335 PolarHBondContact O-N 3.22Å; H333-E335 VanDerWaalsContact C-N 3.32Å; H333-E335 PolarHBondContact O-N 2.72Å; E335-A338 PolarHBondContact O-N 3.17Å; E335-N339 PolarHBondContact O-N 3.14Å; E335-N339 VanDerWaalsContact O-N 3.17Å; E335-N339 PolarHBondContact O-ND2 3.24Å
336Q68.8Low66.8Low7 Ų756.9 Ų56.93%0.03332%0.318CS..Hα-helixtrans-61.1-46.6175.2177.5169.38.400111.5F241 I258 A332 H333 A338 N339 M340F241-Q336 VanDerWaalsContact CE2-NE2 3.28Å; I258-Q336 HydrophobicContact CD1-CG 4.06Å; A332-Q336 WeakPolarHBondContact O-CB 3.49Å; A332-Q336 PolarHBondContact O-N 2.85Å; H333-Q336 PolarHBondContact O-N 2.71Å; Q336-A338 PolarHBondContact O-N 3.46Å; Q336-N339 PolarHBondContact O-N 3.02Å; Q336-M340 HydrophobicContact CG-SD 4.23Å; Q336-M340 WeakPolarHBondContact O-CG 3.23Å; Q336-M340 PolarHBondContact O-N 3.11Å
337L68.7Low65.2Low5 Ų561.2 Ų61.23%0.02635%0.345CS..Hα-helixtrans-57.8-46.3174.5-87.3169.1000112.2L149 K150 S226 H333 A334 N339 M340 R341L149-L337 WeakPolarHBondContact O-CD1 3.43Å; K150-L337 HydrophobicContact CB-CD1 3.74Å; S226-L337 WeakPolarHBondContact OG-CD2 3.09Å; H333-L337 WeakPolarHBondContact O-CB 3.37Å; H333-L337 PolarHBondContact O-N 2.99Å; A334-L337 PolarHBondContact O-N 3Å; L337-N339 PolarHBondContact O-N 3.49Å; L337-M340 PolarHBondContact O-N 3.44Å; L337-R341 WeakPolarHBondContact O-CG 3.45Å; L337-R341 PolarHBondContact O-N 3.07Å
338A67.3Low63.7Low56 Ų5663.9 Ų63.946%0.46336%0.36SS..Hα-helixtrans-58.9-36.1179.300000112.5A334 E335 Q336A334-A338 WeakPolarHBondContact O-CB 3.29Å; A334-A338 PolarHBondContact O-N 2.96Å; E335-A338 PolarHBondContact O-N 3.17Å; Q336-A338 PolarHBondContact O-N 3.46Å
339N62.5Low62.3Low110 Ų11069.3 Ų69.359%0.58838%0.381SS*.Hα-helixtrans-78.3-29.4177.8-71.2-54000113.8I250 E335 Q336 L337I250-N339 WeakPolarHBondContact CD1-ND2 3.16Å; E335-N339 PolarHBondContact O-N 3.14Å; E335-N339 VanDerWaalsContact O-N 3.17Å; E335-N339 PolarHBondContact O-ND2 3.24Å; Q336-N339 PolarHBondContact O-N 3.02Å; L337-N339 PolarHBondContact O-N 3.49Å
340M61.2Low61.2Low29 Ų2975.9 Ų75.914%0.14341%0.409CS..Hα-helixtrans-81.2-21.1175.6-70.3-17466.400112.7Y218 W225 Q336 L337 I342Y218-M340 PolarHBondContact OH-O 3.35Å; W225-M340 HydrophobicContact CB-CE 3.93Å; W225-M340 HydrophobicContact CD2-CE 3.75Å; W225-M340 HydrophobicContact CD2-SD 4.06Å; W225-M340 HydrophobicContact CE3-CE 4.39Å; W225-M340 HydrophobicContact CG-CE 3.51Å; W225-M340 HydrophobicContact CG-SD 3.84Å; W225-M340 HydrophobicContact CZ2-SD 4.45Å; W225-M340 PolarHBondContact NE1-SD 2.85Å; W225-M340 VanDerWaalsContact NE1-SD 3.36Å; Q336-M340 HydrophobicContact CG-SD 4.23Å; Q336-M340 WeakPolarHBondContact O-CG 3.23Å; Q336-M340 PolarHBondContact O-N 3.11Å; L337-M340 PolarHBondContact O-N 3.44Å; M340-I342 PolarHBondContact O-N 2.79Å
341R61.4Low60.2Low51 Ų5178.6 Ų78.619%0.19243%0.429CS..SBendtrans-67.6116.7172.8-78.6178.2-169.8148.841.3110R147 D148 F172 L337 Q343R147-R341 VanDerWaalsContact O-CZ 3.26Å; R147-R341 PolarHBondContact O-NE 3.27Å; R147-R341 PolarHBondContact O-NH2 3.05Å; R147-R341 VanDerWaalsContact O-NH2 3.08Å; D148-R341 VanDerWaalsContact CA-NH2 3.26Å; D148-R341 VanDerWaalsContact CB-NH2 3.33Å; D148-R341 IonicContact OD1-CZ 2.87Å; D148-R341 IonicContact OD1-NH1 2.94Å; D148-R341 IonicContact OD1-NH2 3.77Å; D148-R341 PolarHBondContact OD1-NH2 2.72Å; F172-R341 VanDerWaalsContact CE2-NH1 3.29Å; F172-R341 VanDerWaalsContact CZ-NH1 3.29Å; L337-R341 WeakPolarHBondContact O-CG 3.45Å; L337-R341 PolarHBondContact O-N 3.07Å; R341-Q343 PolarHBondContact O-N 2.9Å
342I59.1Low58.9Low68 Ų6878.9 Ų78.935%0.34943%0.434SS..  trans-68.6115.8160.6-60.4174.9000106.4T214 Y218 M340 D344T214-I342 HydrophobicContact CG2-CD1 3.64Å; Y218-I342 HydrophobicContact CD1-CD1 3.7Å; Y218-I342 HydrophobicContact CD1-CG1 4.31Å; Y218-I342 HydrophobicContact CE1-CD1 3.4Å; Y218-I342 VanDerWaalsContact CE1-CD1 3.4Å; Y218-I342 HydrophobicContact CE1-CG1 3.61Å; Y218-I342 HydrophobicContact CE2-CD1 4.35Å; Y218-I342 HydrophobicContact CG-CD1 4.29Å; M340-I342 PolarHBondContact O-N 2.79Å; I342-D344 PolarHBondContact O-N 3.24Å
343Q51.2Low58.2Low143 Ų14384.6 Ų84.667%0.66846%0.461SS*.  trans-63.7130.8173.7-66.9-178.74.700108.2R341 L345R341-Q343 PolarHBondContact O-N 2.9Å; Q343-L345 HydrophobicContact CB-CD1 4.07Å; Q343-L345 HydrophobicContact CB-CG 4.24Å; Q343-L345 PolarHBondContact O-N 2.96Å
344D53.1Low57.1Low86 Ų8687.3 Ų87.346%0.4648%0.481SS..  trans-68.866.8171.3-68.7-56000108.9R147 K174 I342 N346R147-D344 IonicContact CZ-OD2 3.8Å; R147-D344 IonicContact NH1-OD1 3.37Å; R147-D344 IonicContact NH1-OD2 2.8Å; R147-D344 PolarHBondContact NH1-OD2 2.6Å; R147-D344 IonicContact NH2-OD2 3.02Å; R147-D344 PolarHBondContact NH2-OD2 2.69Å; R147-D344 VanDerWaalsContact NH2-OD2 3.16Å; K174-D344 IonicContact NZ-OD1 2.71Å; K174-D344 PolarHBondContact NZ-OD1 3.39Å; K174-D344 IonicContact NZ-OD2 3.57Å; I342-D344 PolarHBondContact O-N 3.24Å; D344-N346 VanDerWaalsContact C-N 3.34Å; D344-N346 PolarHBondContact O-N 2.92Å
345L46.5Very low56.6Low121 Ų12187.7 Ų87.763%0.63448%0.479SS*.  trans-75.189.3172.2-86.6151000106.8Q343 V347Q343-L345 HydrophobicContact CB-CD1 4.07Å; Q343-L345 HydrophobicContact CB-CG 4.24Å; Q343-L345 PolarHBondContact O-N 2.96Å; L345-V347 HydrophobicContact CB-CG2 4.04Å; L345-V347 HydrophobicContact CD2-CG2 3.87Å; L345-V347 PolarHBondContact O-N 3.23Å
346N45.1Very low56Low158 Ų15890.6 Ų90.685%0.84550%0.496SS*.  trans-70.669.4165.3-75.6-7000109D344 S348D344-N346 VanDerWaalsContact C-N 3.34Å; D344-N346 PolarHBondContact O-N 2.92Å; N346-S348 PolarHBondContact O-N 3.35Å
347V44.8Very low56Low102 Ų10293.3 Ų93.362%0.61851%0.511SS*.  trans-91.994.7171.6-177.30000106.5L345 L349L345-V347 HydrophobicContact CB-CG2 4.04Å; L345-V347 HydrophobicContact CD2-CG2 3.87Å; L345-V347 PolarHBondContact O-N 3.23Å; V347-L349 PolarHBondContact O-N 3.44Å
348S46.9Very low55.7Low106 Ų10697.8 Ų97.874%0.74154%0.54SS*.PPolyproline II helixtrans-70.6118162.955.80000107.8N346 K350N346-S348 PolarHBondContact O-N 3.35Å; S348-K350 PolarHBondContact O-N 2.94Å
349L48.3Very low55.5Low148 Ų148100.2 Ų100.278%0.77555%0.545SS*.PPolyproline II helixtrans-59.2126.5167.2-66.8176.1000107.7V347V347-L349 PolarHBondContact O-N 3.44Å
350K52.4Low55.5Low144 Ų14497.3 Ų97.363%0.62653%0.529SS*.PPolyproline II helixtrans-59.5146.5171.7-70.1-177.5178.7-175.90108.9S348 L352 S354 V355S348-K350 PolarHBondContact O-N 2.94Å; K350-L352 PolarHBondContact O-N 2.77Å; K350-S354 WeakPolarHBondContact CB-OG 3.05Å; K350-V355 HydrophobicContact CB-CG2 3.61Å; K350-V355 WeakPolarHBondContact O-CG2 3.37Å
351P57.6Low55.6Low88 Ų88102.7 Ų102.757%0.57155%0.547SS*.PPolyproline II helixtrans-49.2138.2169.8-29.836.5000111.2N353 S354 V355P351-N353 WeakPolarHBondContact CB-OD1 3.43Å; P351-N353 PolarHBondContact O-N 2.74Å; P351-N353 PolarHBondContact O-OD1 3Å; P351-S354 WeakPolarHBondContact CD-OG 3.17Å; P351-S354 WeakPolarHBondContact O-CA 3.49Å; P351-S354 PolarHBondContact O-N 3.45Å; P351-S354 PolarHBondContact O-OG 3.37Å; P351-V355 WeakPolarHBondContact O-CG2 3.43Å; P351-V355 PolarHBondContact O-N 3.24Å
352L52.7Low55.2Low117 Ų117107 Ų10761%0.61357%0.568SS**THydrogen-bonded Turntrans-55.2-29.5-168.9-162.473.1000114K350 S354 L360K350-L352 PolarHBondContact O-N 2.77Å; L352-S354 VanDerWaalsContact C-N 3.33Å; L352-L360 HydrophobicContact CD1-CD1 3.81Å; L352-L360 HydrophobicContact CD1-CD2 3.73Å; L352-L360 HydrophobicContact CD1-CG 4.46Å; L352-L360 HydrophobicContact CG-CD2 4.38Å
353N57Low55Low140 Ų140112.7 Ų112.775%0.74959%0.585SS**THydrogen-bonded Turntrans-69.8-25.3174.760.8-10.5000114P351P351-N353 WeakPolarHBondContact CB-OD1 3.43Å; P351-N353 PolarHBondContact O-N 2.74Å; P351-N353 PolarHBondContact O-OD1 3Å
354S52.1Low55.3Low60 Ų60113.1 Ų113.142%0.4258%0.584SS.*THydrogen-bonded Turntrans-102.7-0.5-179.668.60000113.5K350 P351 L352K350-S354 WeakPolarHBondContact CB-OG 3.05Å; P351-S354 WeakPolarHBondContact CD-OG 3.17Å; P351-S354 WeakPolarHBondContact O-CA 3.49Å; P351-S354 PolarHBondContact O-N 3.45Å; P351-S354 PolarHBondContact O-OG 3.37Å; L352-S354 VanDerWaalsContact C-N 3.33Å
355V63.1Low55.2Low46 Ų46116 Ų11628%0.27960%0.599SS.*  trans-87.3121.3178.5178.70000110.2K350 P351 N357 L360K350-V355 HydrophobicContact CB-CG2 3.61Å; K350-V355 WeakPolarHBondContact O-CG2 3.37Å; P351-V355 WeakPolarHBondContact O-CG2 3.43Å; P351-V355 PolarHBondContact O-N 3.24Å; V355-N357 HydrophobicContact CG1-CB 3.93Å; V355-L360 HydrophobicContact CB-CD1 4.04Å; V355-L360 HydrophobicContact CG1-CD1 3.57Å
356N57.4Low55.2Low117 Ų117116.5 Ų116.563%0.62660%0.602SS**  trans-103.891.5171.4-170.222.1000110.4R361N356-R361 VanDerWaalsContact CG-NH2 3.27Å; N356-R361 PolarHBondContact ND2-NH2 3.34Å; N356-R361 PolarHBondContact OD1-NE 3.04Å; N356-R361 PolarHBondContact OD1-NH2 3.02Å
357N67.8Low55.1Low65 Ų65110.8 Ų110.835%0.34858%0.58SS.*  trans-126.3133.3-179.5-176.7-56.9000110.7V355 I359 L360 R361V355-N357 HydrophobicContact CG1-CB 3.93Å; N357-I359 PolarHBondContact O-N 3.34Å; N357-I359 VanDerWaalsContact O-N 3.16Å; N357-I359 WeakPolarHBondContact OD1-CB 3.49Å; N357-I359 PolarHBondContact OD1-N 3.41Å; N357-L360 HydrophobicContact CB-CB 4.28Å; N357-L360 HydrophobicContact CB-CD1 4.12Å; N357-L360 PolarHBondContact O-N 3.36Å; N357-R361 PolarHBondContact O-N 2.87Å
358P62Low54.9Low99 Ų99111.9 Ų111.964%0.64359%0.589SS**Hα-helixtrans-53.1-34.7179.9-26.934.1000115K362P358-K362 PolarHBondContact O-N 2.89Å
359I64.5Low54.6Low107 Ų107115.8 Ų115.855%0.54959%0.593SS.*Hα-helixtrans-72.3-40.2179-60.1172.3000110.8N357 K362 R363N357-I359 PolarHBondContact O-N 3.34Å; N357-I359 VanDerWaalsContact O-N 3.16Å; N357-I359 WeakPolarHBondContact OD1-CB 3.49Å; N357-I359 PolarHBondContact OD1-N 3.41Å; I359-K362 PolarHBondContact O-N 2.98Å; I359-R363 PolarHBondContact O-N 3.27Å
360L60.9Low54Low49 Ų49114.9 Ų114.926%0.25760%0.596SS.*Hα-helixtrans-65.9-39174.9-84.8164.4000111.5L352 V355 N357 R363 K364L352-L360 HydrophobicContact CD1-CD1 3.81Å; L352-L360 HydrophobicContact CD1-CD2 3.73Å; L352-L360 HydrophobicContact CD1-CG 4.46Å; L352-L360 HydrophobicContact CG-CD2 4.38Å; V355-L360 HydrophobicContact CB-CD1 4.04Å; V355-L360 HydrophobicContact CG1-CD1 3.57Å; N357-L360 HydrophobicContact CB-CB 4.28Å; N357-L360 HydrophobicContact CB-CD1 4.12Å; N357-L360 PolarHBondContact O-N 3.36Å; L360-R363 PolarHBondContact O-N 2.99Å; L360-K364 WeakPolarHBondContact O-CB 3.5Å; L360-K364 WeakPolarHBondContact O-CG 3.41Å; L360-K364 PolarHBondContact O-N 3.06Å
361R63.6Low53.2Low141 Ų141114 Ų11453%0.53260%0.602SS.*Hα-helixtrans-58.3-49.1172-68.7179.5179-164.7-9110.9N356 N357 R363 K364 L365N356-R361 VanDerWaalsContact CG-NH2 3.27Å; N356-R361 PolarHBondContact ND2-NH2 3.34Å; N356-R361 PolarHBondContact OD1-NE 3.04Å; N356-R361 PolarHBondContact OD1-NH2 3.02Å; N357-R361 PolarHBondContact O-N 2.87Å; R361-R363 VanDerWaalsContact C-N 3.32Å; R361-R363 PolarHBondContact O-N 3Å; R361-K364 PolarHBondContact O-N 3.02Å; R361-L365 WeakPolarHBondContact O-CB 3.3Å; R361-L365 WeakPolarHBondContact O-CD1 3.49Å; R361-L365 VanDerWaalsContact O-CG 3.3Å; R361-L365 WeakPolarHBondContact O-CG 3.44Å; R361-L365 PolarHBondContact O-N 3.16Å
362K52.6Low52Low143 Ų143116.8 Ų116.862%0.62261%0.613SS**Hα-helixtrans-61.1-37.8179.1-163171.7-177.2174.70112.5P358 I359 L366P358-K362 PolarHBondContact O-N 2.89Å; I359-K362 PolarHBondContact O-N 2.98Å; K362-L366 HydrophobicContact CG-CD1 3.92Å; K362-L366 WeakPolarHBondContact O-CB 3.37Å; K362-L366 WeakPolarHBondContact O-CD1 3.35Å; K362-L366 WeakPolarHBondContact O-CG 3.2Å; K362-L366 PolarHBondContact O-N 3.11Å; K362-L366 VanDerWaalsContact O-N 3.11Å
363R55.6Low51.1Low186 Ų186115.9 Ų115.970%0.70262%0.616SS**Hα-helixtrans-77.7-31.3176.8-78.7-169.4172.9138.9-1.2114.5I359 L360 R361 L365 L366 G367I359-R363 PolarHBondContact O-N 3.27Å; L360-R363 PolarHBondContact O-N 2.99Å; R361-R363 VanDerWaalsContact C-N 3.32Å; R361-R363 PolarHBondContact O-N 3Å; R363-L365 VanDerWaalsContact C-N 3.3Å; R363-L366 PolarHBondContact O-N 3.29Å; R363-G367 PolarHBondContact O-N 2.74Å
364K57.3Low49.6Very low152 Ų152119 Ų11966%0.66162%0.623SS**Hα-helixtrans-65.5-36.5170-79.4-174.4174.9-175.30111.6L360 R361L360-K364 WeakPolarHBondContact O-CB 3.5Å; L360-K364 WeakPolarHBondContact O-CG 3.41Å; L360-K364 PolarHBondContact O-N 3.06Å; R361-K364 PolarHBondContact O-N 3.02Å
365L52.1Low48.4Very low146 Ų146125.1 Ų125.176%0.76464%0.642SS**Hα-helixtrans-73.3-27.5176.2-71.3163.6000113.4R361 R363R361-L365 WeakPolarHBondContact O-CB 3.3Å; R361-L365 WeakPolarHBondContact O-CD1 3.49Å; R361-L365 VanDerWaalsContact O-CG 3.3Å; R361-L365 WeakPolarHBondContact O-CG 3.44Å; R361-L365 PolarHBondContact O-N 3.16Å; R363-L365 VanDerWaalsContact C-N 3.3Å
366L46.1Very low46.7Very low133 Ų133130.2 Ų130.270%0.69667%0.667SS**SBendtrans-1000.1-179.3-69168.6000113.9K362 R363K362-L366 HydrophobicContact CG-CD1 3.92Å; K362-L366 WeakPolarHBondContact O-CB 3.37Å; K362-L366 WeakPolarHBondContact O-CD1 3.35Å; K362-L366 WeakPolarHBondContact O-CG 3.2Å; K362-L366 PolarHBondContact O-N 3.11Å; K362-L366 VanDerWaalsContact O-N 3.11Å; R363-L366 PolarHBondContact O-N 3.29Å
367G41.9Very low45.2Very low37 Ų37132 Ų13238%0.38167%0.671SS.*SBendtrans-68.4147.1177.200000111.2R363 K369R363-G367 PolarHBondContact O-N 2.74Å; G367-K369 PolarHBondContact O-N 3.01Å
368P41.5Very low43.2Very low125 Ų125136 Ų13681%0.81269%0.692SS**PPolyproline II helixtrans-59.4129.8172.816-15.3000108.6
369K40.2Very low42.1Very low189 Ų189136.1 Ų136.182%0.82269%0.693SS**PPolyproline II helixtrans-49.8124.9169.9-74.4-177.7177-179.70107.6G367 T371G367-K369 PolarHBondContact O-N 3.01Å; K369-T371 PolarHBondContact O-N 2.77Å
370P35.5Very low40.8Very low129 Ų129139.5 Ų139.584%0.83871%0.706SS**  trans-61.4114.2169.7-1124000107.1
371T35Very low39.5Very low124 Ų124143.9 Ų143.976%0.76173%0.73SS**  trans-70.9123.4162.243.80000107.8K369K369-T371 PolarHBondContact O-N 2.77Å
372D32.9Very low38.2Very low148 Ų148141.9 Ų141.979%0.79175%0.754SS**SBendtrans63.2127.7159.2-62.8-30.1000121
373S33.7Very low37.7Very low98 Ų98137.5 Ų137.569%0.68575%0.749SS**  trans67.194.9149.856.40000117.7
374F25.7Very low37.4Very low204 Ų204135.4 Ų135.490%0.89575%0.747SS**  -168.290.5122.7-97.3-73.2000107.7I376F374-I376 PolarHBondContact O-N 3.46Å
375F27.2Very low37.1Very low189 Ų189134.3 Ų134.383%0.82975%0.748SS**  trans-75.1115.1164.2-81.8-89.7000108
376I26.7Very low37.3Very low154 Ų154129.2 Ų129.279%0.7973%0.725SS**  trans-102.198.6150.8-61-179.8000104.7F374F374-I376 PolarHBondContact O-N 3.46Å
377H27.2Very low38.2Very low155 Ų155128.1 Ų128.172%0.71872%0.719SS**  trans-70.5123.3161.7-106.5-67.8000107.3
378D26.1Very low39.9Very low148 Ų148128.5 Ų128.579%0.79171%0.714SS**  trans-116.7111156.9-149.9-7.2000106.6E380D378-E380 PolarHBondContact O-N 3.39Å
379P37.4Very low41.6Very low101 Ų101122.7 Ų122.766%0.65668%0.677SS**  trans-95.384.3-17135-28.7000109.8
380E37.9Very low43.4Very low178 Ų178114 Ų11483%0.83264%0.639SS**  trans-16890.1165.2-113.3170.3-148.100111D378D378-E380 PolarHBondContact O-N 3.39Å
381N33.9Very low45.6Very low142 Ų142113 Ų11376%0.75962%0.624SS**  trans-173.9108.8145.6-101-32.6000111.3G383N381-G383 PolarHBondContact O-N 3.48Å
382G36Very low48Very low99 Ų99109.3 Ų109.3100%1.02160%0.597SS**THydrogen-bonded Turntrans-69.433.8169.700000114.5
383G42.5Very low50.4Low50 Ų50102.2 Ų102.252%0.51556%0.559SS.*THydrogen-bonded Turntrans-114-0.4177.600000114.4N381N381-G383 PolarHBondContact O-N 3.48Å
384E48.4Very low52.7Low143 Ų143103.9 Ų103.967%0.66855%0.551SS**Hα-helixtrans-70.3-35.9-173.7-73.4-172.6148.800113.8S386 N387 V388E384-S386 VanDerWaalsContact C-N 3.34Å; E384-S386 PolarHBondContact O-N 2.96Å; E384-N387 PolarHBondContact O-N 3.42Å; E384-N387 VanDerWaalsContact O-N 3.17Å; E384-V388 VanDerWaalsContact O-CG2 3.31Å; E384-V388 WeakPolarHBondContact O-CG2 3.4Å; E384-V388 PolarHBondContact O-N 3.15Å
385D50.9Low55.4Low129 Ų12997.4 Ų97.469%0.6953%0.525SS*.Hα-helixtrans-63.9-35.2-171.4-83.5-20.2000113.8A389D385-A389 VanDerWaalsContact O-CB 3.26Å; D385-A389 WeakPolarHBondContact O-CB 3.31Å; D385-A389 PolarHBondContact O-N 3.29Å
386S55.9Low58.1Low39 Ų3988.4 Ų88.427%0.27349%0.486SS..Hα-helixtrans-74.2-34.5178.6-169.30000112.3E384 A389 L390 Q468E384-S386 VanDerWaalsContact C-N 3.34Å; E384-S386 PolarHBondContact O-N 2.96Å; S386-A389 PolarHBondContact O-N 3.45Å; S386-L390 WeakPolarHBondContact O-CG 3.36Å; S386-L390 PolarHBondContact O-N 3.04Å; S386-Q468 VanDerWaalsContact CB-NE2 3.27Å; S386-Q468 VanDerWaalsContact OG-CD 3.31Å; S386-Q468 PolarHBondContact OG-NE2 3.33Å
387N65.8Low60.6Low109 Ų10982.6 Ų82.658%0.58346%0.456SS*.Hα-helixtrans-71.7-38.8178.4-143.57.4000110.6E384 L390 E391E384-N387 PolarHBondContact O-N 3.42Å; E384-N387 VanDerWaalsContact O-N 3.17Å; N387-L390 PolarHBondContact O-N 3.02Å; N387-E391 WeakPolarHBondContact O-CB 3.34Å; N387-E391 PolarHBondContact O-N 3.29Å
388V76.6Confident62.9Low45 Ų4577.8 Ų77.827%0.27344%0.443SS..Hα-helixtrans-64.3-42.4171.3175.40000110.8E384 L390 E391 K392 F423E384-V388 VanDerWaalsContact O-CG2 3.31Å; E384-V388 WeakPolarHBondContact O-CG2 3.4Å; E384-V388 PolarHBondContact O-N 3.15Å; V388-L390 PolarHBondContact O-N 2.98Å; V388-E391 PolarHBondContact O-N 3.45Å; V388-K392 HydrophobicContact CG1-CG 4.42Å; V388-K392 WeakPolarHBondContact O-CG 3.42Å; V388-K392 PolarHBondContact O-N 3.48Å; V388-F423 HydrophobicContact CG1-CD1 4.26Å; V388-F423 HydrophobicContact CG1-CE1 4.06Å; V388-F423 HydrophobicContact CG1-CE2 4.49Å; V388-F423 HydrophobicContact CG1-CZ 4.19Å
389A77.5Confident65.6Low4 Ų471.3 Ų71.33%0.03341%0.408CS..Hα-helixtrans-60.6-42.417800000112.7D385 S386 L393 F423 N424D385-A389 VanDerWaalsContact O-CB 3.26Å; D385-A389 WeakPolarHBondContact O-CB 3.31Å; D385-A389 PolarHBondContact O-N 3.29Å; S386-A389 PolarHBondContact O-N 3.45Å; A389-L393 PolarHBondContact O-N 2.68Å; A389-F423 HydrophobicContact CB-CB 3.96Å; A389-N424 PolarHBondContact O-ND2 2.97Å
390L79.3Confident67.6Low5 Ų567.2 Ų67.23%0.02638%0.381CS..Hα-helixtrans-70.6-36.7175.7-72175.1000112.7S386 N387 V388 L393 R394 I461 K464S386-L390 WeakPolarHBondContact O-CG 3.36Å; S386-L390 PolarHBondContact O-N 3.04Å; N387-L390 PolarHBondContact O-N 3.02Å; V388-L390 PolarHBondContact O-N 2.98Å; L390-L393 PolarHBondContact O-N 3.38Å; L390-R394 WeakPolarHBondContact O-CG 3.31Å; L390-R394 PolarHBondContact O-N 3.05Å; L390-R394 VanDerWaalsContact O-N 3.15Å; L390-I461 HydrophobicContact CD2-CG1 4.45Å; L390-I461 HydrophobicContact CD2-CG2 4.21Å; L390-K464 HydrophobicContact CD2-CB 3.91Å
391E80.6Confident69.2Low110 Ų11064 Ų6451%0.51437%0.369SS..Hα-helixtrans-61.2-46.4175.7-172.4172.8-163.600111.1N387 V388 L393 R394 D395N387-E391 WeakPolarHBondContact O-CB 3.34Å; N387-E391 PolarHBondContact O-N 3.29Å; V388-E391 PolarHBondContact O-N 3.45Å; E391-L393 VanDerWaalsContact C-N 3.32Å; E391-L393 PolarHBondContact O-N 3.26Å; E391-R394 WeakPolarHBondContact O-CB 3.44Å; E391-R394 PolarHBondContact O-N 3.47Å; E391-D395 PolarHBondContact O-N 3.47Å
392K85.2Confident70.8Confident45 Ų4563.8 Ų63.820%0.19637%0.367CS..Hα-helixtrans-63.3-34.3178.9-63-61.6178.91770113.5V388 D395 V396 E419 A420 F423V388-K392 HydrophobicContact CG1-CG 4.42Å; V388-K392 WeakPolarHBondContact O-CG 3.42Å; V388-K392 PolarHBondContact O-N 3.48Å; K392-D395 PolarHBondContact O-N 3.2Å; K392-V396 PolarHBondContact O-N 3.32Å; K392-E419 HydrophobicContact CD-CB 4.33Å; K392-E419 IonicContact NZ-OE2 3.63Å; K392-E419 PolarHBondContact NZ-OE2 3.31Å; K392-A420 HydrophobicContact CB-CB 4.06Å; K392-A420 WeakPolarHBondContact O-CB 3.31Å; K392-F423 HydrophobicContact CG-CD2 3.97Å; K392-F423 HydrophobicContact CG-CE2 4.35Å
393L83.4Confident72.3Confident0 Ų061.4 Ų61.40%033%0.333CS..Hα-helixtrans-67.8-36.9172.9-68.1171.8000112A389 L390 E391 D395 V396 I397 A420 N424 L430 V457 I461A389-L393 PolarHBondContact O-N 2.68Å; L390-L393 PolarHBondContact O-N 3.38Å; E391-L393 VanDerWaalsContact C-N 3.32Å; E391-L393 PolarHBondContact O-N 3.26Å; L393-D395 VanDerWaalsContact C-N 3.31Å; L393-D395 PolarHBondContact O-N 3.38Å; L393-V396 PolarHBondContact O-N 3.17Å; L393-I397 PolarHBondContact O-N 2.9Å; L393-A420 HydrophobicContact CD2-CB 4.13Å; L393-N424 HydrophobicContact CD1-CB 4.4Å; L393-N424 WeakPolarHBondContact CD1-OD1 3.33Å; L393-N424 HydrophobicContact CD2-CB 4.25Å; L393-N424 WeakPolarHBondContact CG-ND2 3.26Å; L393-L430 HydrophobicContact CD2-CD1 4.31Å; L393-L430 HydrophobicContact CD2-CD2 3.74Å; L393-V457 HydrophobicContact CB-CG1 3.78Å; L393-V457 HydrophobicContact CD2-CG1 3.91Å; L393-V457 HydrophobicContact CG-CG1 4.4Å; L393-V457 WeakPolarHBondContact O-CG1 3.32Å; L393-I461 HydrophobicContact CB-CD1 3.76Å; L393-I461 HydrophobicContact CB-CG1 3.63Å; L393-I461 HydrophobicContact CD1-CG1 3.85Å; L393-I461 HydrophobicContact CG-CG1 4.39Å
394R82.4Confident73.1Confident133 Ų13365.6 Ų65.650%0.50234%0.34SS..Hα-helixtrans-67.2-33.6176.7-69.7168.9179.4166.83.3112.1L390 E391 V396 I397 A398 I461L390-R394 WeakPolarHBondContact O-CG 3.31Å; L390-R394 PolarHBondContact O-N 3.05Å; L390-R394 VanDerWaalsContact O-N 3.15Å; E391-R394 WeakPolarHBondContact O-CB 3.44Å; E391-R394 PolarHBondContact O-N 3.47Å; R394-V396 VanDerWaalsContact C-N 3.33Å; R394-I397 PolarHBondContact O-N 2.96Å; R394-A398 PolarHBondContact O-N 3.42Å; R394-I461 HydrophobicContact CG-CD1 3.85Å
395D82.4Confident73.4Confident67 Ų6763.8 Ų63.836%0.35835%0.349SS..Hα-helixtrans-63-38.5174.4-70.1-20.9000111.9E391 K392 L393 A398 Q399 V416E391-D395 PolarHBondContact O-N 3.47Å; K392-D395 PolarHBondContact O-N 3.2Å; L393-D395 VanDerWaalsContact C-N 3.31Å; L393-D395 PolarHBondContact O-N 3.38Å; D395-A398 PolarHBondContact O-N 2.84Å; D395-Q399 PolarHBondContact O-N 2.97Å; D395-V416 HydrophobicContact CB-CG1 3.66Å
396V84.1Confident73.8Confident0 Ų060.3 Ų60.30%034%0.344CS..Hα-helixtrans-62-46.9174.6179.40000110.7K392 L393 R394 A398 Q399 C400 V416 M417 A420 L453 V457K392-V396 PolarHBondContact O-N 3.32Å; L393-V396 PolarHBondContact O-N 3.17Å; R394-V396 VanDerWaalsContact C-N 3.33Å; V396-A398 VanDerWaalsContact C-N 3.29Å; V396-A398 PolarHBondContact O-N 3.25Å; V396-Q399 PolarHBondContact O-N 3.04Å; V396-C400 PolarHBondContact O-N 2.75Å; V396-C400 PolarHBondContact O-SG 3.27Å; V396-C400 VanDerWaalsContact O-SG 3.33Å; V396-V416 HydrophobicContact CB-CG1 4.46Å; V396-V416 HydrophobicContact CG2-CG1 3.83Å; V396-M417 HydrophobicContact CG1-SD 3.87Å; V396-M417 HydrophobicContact CG2-SD 4.05Å; V396-A420 HydrophobicContact CG2-CB 3.53Å; V396-L453 HydrophobicContact CG1-CD2 4.09Å; V396-L453 HydrophobicContact CG1-CG 4.27Å; V396-V457 HydrophobicContact CB-CG1 4.42Å; V396-V457 HydrophobicContact CG1-CG2 4.02Å
397I79.8Confident73.7Confident33 Ų3367.9 Ų67.917%0.16938%0.375CS..Hα-helixtrans-59.6-42.4177-65.7176.4000110.6L393 R394 Q399 C400 I401 V457 K458 I461L393-I397 PolarHBondContact O-N 2.9Å; R394-I397 PolarHBondContact O-N 2.96Å; I397-Q399 VanDerWaalsContact C-N 3.35Å; I397-Q399 PolarHBondContact O-N 2.71Å; I397-C400 PolarHBondContact O-N 3.37Å; I397-I401 HydrophobicContact CG2-CD1 3.55Å; I397-I401 HydrophobicContact CG2-CG1 4.29Å; I397-I401 VanDerWaalsContact O-CG1 3.31Å; I397-I401 WeakPolarHBondContact O-CG1 3.49Å; I397-I401 PolarHBondContact O-N 2.92Å; I397-V457 HydrophobicContact CD1-CB 4.42Å; I397-V457 HydrophobicContact CD1-CG1 4Å; I397-V457 HydrophobicContact CG1-CB 4.06Å; I397-V457 HydrophobicContact CG1-CG1 3.74Å; I397-K458 HydrophobicContact CD1-CB 4.02Å; I397-I461 HydrophobicContact CD1-CD1 3.67Å
398A75.8Confident73.9Confident54 Ų5467.8 Ų67.845%0.44638%0.375SS..Hα-helixtrans-61.1-43.7177.800000111.7R394 D395 V396 C400 I401 L402R394-A398 PolarHBondContact O-N 3.42Å; D395-A398 PolarHBondContact O-N 2.84Å; V396-A398 VanDerWaalsContact C-N 3.29Å; V396-A398 PolarHBondContact O-N 3.25Å; A398-C400 VanDerWaalsContact C-N 3.33Å; A398-C400 PolarHBondContact O-N 2.71Å; A398-I401 PolarHBondContact O-N 2.99Å; A398-L402 PolarHBondContact O-N 3.18Å
399Q81.8Confident73.7Confident12 Ų1269.2 Ų69.26%0.05638%0.378CS..Hα-helixtrans-67.2-32177.5-172.562.715.700112.6D395 V396 I397 L413D395-Q399 PolarHBondContact O-N 2.97Å; V396-Q399 PolarHBondContact O-N 3.04Å; I397-Q399 VanDerWaalsContact C-N 3.35Å; I397-Q399 PolarHBondContact O-N 2.71Å; Q399-L413 HydrophobicContact CB-CD1 4.25Å; Q399-L413 HydrophobicContact CG-CB 4.33Å; Q399-L413 HydrophobicContact CG-CD1 3.91Å
400C78.9Confident73.7Confident14 Ų1472.7 Ų72.710%0.09540%0.396CS..Hα-helixtrans-69.8-38.7175-71.40000113.2V396 I397 A398 R450 A454V396-C400 PolarHBondContact O-N 2.75Å; V396-C400 PolarHBondContact O-SG 3.27Å; V396-C400 VanDerWaalsContact O-SG 3.33Å; I397-C400 PolarHBondContact O-N 3.37Å; A398-C400 VanDerWaalsContact C-N 3.33Å; A398-C400 PolarHBondContact O-N 2.71Å; C400-R450 HydrophobicContact CB-CB 4.1Å; C400-R450 WeakPolarHBondContact CB-O 3.29Å; C400-R450 PolarHBondContact SG-O 3.45Å; C400-A454 HydrophobicContact CB-CB 3.93Å
401I73Confident73.8Confident111 Ų11177.6 Ų77.657%0.56942%0.419SS*.Hα-helixtrans-86.1-37-175.5-59.9172.5000111.6I397 A398I397-I401 HydrophobicContact CG2-CD1 3.55Å; I397-I401 HydrophobicContact CG2-CG1 4.29Å; I397-I401 VanDerWaalsContact O-CG1 3.31Å; I397-I401 WeakPolarHBondContact O-CG1 3.49Å; I397-I401 PolarHBondContact O-N 2.92Å; A398-I401 PolarHBondContact O-N 2.99Å
402L67.3Low73.8Confident138 Ų13876.5 Ų76.572%0.72341%0.413SS*.SBendtrans-138.275.6-174.1-74.1164.9000110.2A398 Q404A398-L402 PolarHBondContact O-N 3.18Å; L402-Q404 PolarHBondContact O-N 3.19Å
403P67Low73.7Confident48 Ų4874.5 Ų74.531%0.31240%0.404SS..PPolyproline II helixtrans-61.2136.617626.2-33.6000110.4E409P403-E409 HydrophobicContact CB-CG 4.41Å
404Q58.4Low73.9Confident138 Ų13876.1 Ų76.165%0.64541%0.413SS*.PPolyproline II helixtrans-68.7131.1174.7-60.1-174.86.100109.6L402 G406L402-Q404 PolarHBondContact O-N 3.19Å; Q404-G406 PolarHBondContact O-N 3.35Å
405A54.8Low74Confident106 Ų10674.4 Ų74.488%0.87641%0.41SS*.SBendtrans-70.4117-178.300000111.3
406G60.3Low74.2Confident56 Ų5672.3 Ų72.358%0.57740%0.4SS*.SBendtrans174168.3178.900000111.8Q404Q404-G406 PolarHBondContact O-N 3.35Å
407E53.5Low74.5Confident198 Ų19872.3 Ų72.393%0.92540%0.4SS*.SBendtrans-69132.9176.6-68-178.6167.300110.3
408N69.9Low74.9Confident107 Ų10773.6 Ų73.657%0.57241%0.405SS*.  trans77.254.1-178.9-64.2-6.1000118.5D410 E411 K412N408-D410 PolarHBondContact O-N 2.93Å; N408-E411 HydrophobicContact CB-CB 3.8Å; N408-E411 WeakPolarHBondContact CB-OE2 3.45Å; N408-E411 PolarHBondContact ND2-OE2 3.3Å; N408-E411 PolarHBondContact O-N 3.38Å; N408-K412 PolarHBondContact O-N 3.09Å
409E72.1Confident75.3Confident74 Ų7475.4 Ų75.435%0.34640%0.404SS..Hα-helixtrans-54.9-35172-62.6-173.5-179.200114.8P403 K412 L413 R450P403-E409 HydrophobicContact CB-CG 4.41Å; E409-K412 PolarHBondContact O-N 3.37Å; E409-L413 PolarHBondContact O-N 2.98Å; E409-R450 IonicContact OE2-CZ 3.67Å; E409-R450 IonicContact OE2-NH1 2.95Å; E409-R450 PolarHBondContact OE2-NH1 2.82Å; E409-R450 IonicContact OE2-NH2 3.54Å; E409-R450 PolarHBondContact OE2-NH2 3.31Å
410D77.8Confident75.5Confident78 Ų7874.8 Ų74.842%0.41740%0.402SS..Hα-helixtrans-75.2-32-178.3-67.5-23.4000111.8N408 L413 N414 R450N408-D410 PolarHBondContact O-N 2.93Å; D410-L413 PolarHBondContact O-N 3.44Å; D410-N414 WeakPolarHBondContact O-CB 3.48Å; D410-N414 PolarHBondContact O-N 3.21Å; D410-N414 PolarHBondContact O-ND2 3.39Å; D410-N414 VanDerWaalsContact O-ND2 3.13Å; D410-R450 IonicContact OD1-CZ 3.97Å; D410-R450 IonicContact OD1-NH2 3.16Å; D410-R450 PolarHBondContact OD1-NH2 3.03Å
411E80.6Confident75.9Confident108 Ų10876.6 Ų76.651%0.50541%0.406SS..Hα-helixtrans-65.8-41.9171.5-168.4171.4-165.200110.3N408 L413 N414 E415N408-E411 HydrophobicContact CB-CB 3.8Å; N408-E411 WeakPolarHBondContact CB-OE2 3.45Å; N408-E411 PolarHBondContact ND2-OE2 3.3Å; N408-E411 PolarHBondContact O-N 3.38Å; E411-L413 PolarHBondContact O-N 3.18Å; E411-N414 WeakPolarHBondContact O-CB 3.46Å; E411-N414 PolarHBondContact O-N 3.23Å; E411-E415 PolarHBondContact O-N 3.19Å
412K81.1Confident76.5Confident87 Ų8779.6 Ų79.638%0.37841%0.411SS..Hα-helixtrans-65.8-38.8175.9-164.569.8-164.3161.60112.6N408 E409 N414 E415 V416N408-K412 PolarHBondContact O-N 3.09Å; E409-K412 PolarHBondContact O-N 3.37Å; K412-N414 VanDerWaalsContact C-N 3.33Å; K412-E415 WeakPolarHBondContact CD-OE2 3.43Å; K412-E415 IonicContact NZ-OE2 2.71Å; K412-E415 PolarHBondContact NZ-OE2 3.41Å; K412-E415 PolarHBondContact O-N 3.47Å; K412-V416 WeakPolarHBondContact O-CG2 3.38Å; K412-V416 PolarHBondContact O-N 3.09Å; K412-V416 VanDerWaalsContact O-N 3.09Å
413L84.4Confident77.2Confident2 Ų277.2 Ų77.21%0.0140%0.395CS..Hα-helixtrans-63.2-40.9174.1-176.661.7000111.6Q399 E409 D410 E411 M417 V448 R450 L453Q399-L413 HydrophobicContact CB-CD1 4.25Å; Q399-L413 HydrophobicContact CG-CB 4.33Å; Q399-L413 HydrophobicContact CG-CD1 3.91Å; E409-L413 PolarHBondContact O-N 2.98Å; D410-L413 PolarHBondContact O-N 3.44Å; E411-L413 PolarHBondContact O-N 3.18Å; L413-M417 VanDerWaalsContact O-CB 3.23Å; L413-M417 WeakPolarHBondContact O-CB 3.38Å; L413-M417 PolarHBondContact O-N 3.05Å; L413-V448 HydrophobicContact CD2-CB 4.4Å; L413-R450 HydrophobicContact CD2-CG 4.08Å; L413-L453 HydrophobicContact CD1-CD2 4.11Å; L413-L453 HydrophobicContact CD2-CD2 4.33Å; L413-L453 HydrophobicContact CG-CD2 4.45Å
414N87.2Confident78.1Confident34 Ų3475 Ų7518%0.18238%0.38CS..Hα-helixtrans-61.4-44174.4-78.6-40.5000112.2D410 E411 K412 M417 H418 S443 F444D410-N414 WeakPolarHBondContact O-CB 3.48Å; D410-N414 PolarHBondContact O-N 3.21Å; D410-N414 PolarHBondContact O-ND2 3.39Å; D410-N414 VanDerWaalsContact O-ND2 3.13Å; E411-N414 WeakPolarHBondContact O-CB 3.46Å; E411-N414 PolarHBondContact O-N 3.23Å; K412-N414 VanDerWaalsContact C-N 3.33Å; N414-M417 PolarHBondContact O-N 3.4Å; N414-H418 VanDerWaalsContact O-CB 3.23Å; N414-H418 WeakPolarHBondContact O-CB 3.28Å; N414-H418 PolarHBondContact O-N 3.47Å; N414-S443 WeakPolarHBondContact OD1-CA 3.23Å; N414-F444 WeakPolarHBondContact OD1-CD2 3.37Å; N414-F444 PolarHBondContact OD1-N 2.76Å
415E84.4Confident79.1Confident97 Ų9776.8 Ų76.845%0.45338%0.381SS..Hα-helixtrans-60.1-51.1177-73.8-176.6168.100112.4E411 K412 M417 H418 E419E411-E415 PolarHBondContact O-N 3.19Å; K412-E415 WeakPolarHBondContact CD-OE2 3.43Å; K412-E415 IonicContact NZ-OE2 2.71Å; K412-E415 PolarHBondContact NZ-OE2 3.41Å; K412-E415 PolarHBondContact O-N 3.47Å; E415-M417 VanDerWaalsContact C-N 3.34Å; E415-M417 PolarHBondContact O-N 3.4Å; E415-H418 PolarHBondContact O-N 3.45Å; E415-E419 PolarHBondContact O-N 3.1Å
416V86.6Confident80.4Confident24 Ų2476.8 Ų76.815%0.14537%0.366CS..Hα-helixtrans-66.3-39.3-177.7-178.30000110.7D395 V396 K412 E419 A420D395-V416 HydrophobicContact CB-CG1 3.66Å; V396-V416 HydrophobicContact CB-CG1 4.46Å; V396-V416 HydrophobicContact CG2-CG1 3.83Å; K412-V416 WeakPolarHBondContact O-CG2 3.38Å; K412-V416 PolarHBondContact O-N 3.09Å; K412-V416 VanDerWaalsContact O-N 3.09Å; V416-E419 PolarHBondContact O-N 3.19Å; V416-A420 WeakPolarHBondContact O-CB 3.46Å; V416-A420 PolarHBondContact O-N 3.33Å
417M90.4Very high81.5Confident0 Ų074.4 Ų74.40%034%0.341CS..Hα-helixtrans-66.4-39.4175.5-172.968.2-12300112.2V396 L413 N414 E415 A420 W421 L430 L434 W439 F444 L453V396-M417 HydrophobicContact CG1-SD 3.87Å; V396-M417 HydrophobicContact CG2-SD 4.05Å; L413-M417 VanDerWaalsContact O-CB 3.23Å; L413-M417 WeakPolarHBondContact O-CB 3.38Å; L413-M417 PolarHBondContact O-N 3.05Å; N414-M417 PolarHBondContact O-N 3.4Å; E415-M417 VanDerWaalsContact C-N 3.34Å; E415-M417 PolarHBondContact O-N 3.4Å; M417-A420 HydrophobicContact CE-CB 4.3Å; M417-A420 PolarHBondContact O-N 3.5Å; M417-W421 HydrophobicContact CE-CB 4.35Å; M417-W421 VanDerWaalsContact O-CB 3.28Å; M417-W421 WeakPolarHBondContact O-CB 3.47Å; M417-W421 PolarHBondContact O-N 3.02Å; M417-L430 HydrophobicContact CE-CD1 4.45Å; M417-L434 HydrophobicContact CE-CD1 3.43Å; M417-L434 VanDerWaalsContact CE-CD1 3.43Å; M417-L434 HydrophobicContact CE-CD2 4.07Å; M417-L434 HydrophobicContact CE-CG 4.38Å; M417-L434 HydrophobicContact SD-CD1 4.41Å; M417-L434 HydrophobicContact SD-CD2 3.99Å; M417-W439 HydrophobicContact CB-CH2 3.74Å; M417-W439 HydrophobicContact CB-CZ2 4.41Å; M417-W439 HydrophobicContact CB-CZ3 3.86Å; M417-W439 HydrophobicContact CG-CD2 4.26Å; M417-W439 HydrophobicContact CG-CE3 3.98Å; M417-W439 HydrophobicContact CG-CH2 3.59Å; M417-W439 HydrophobicContact CG-CZ2 3.88Å; M417-W439 HydrophobicContact CG-CZ3 3.62Å; M417-F444 HydrophobicContact CB-CE2 3.87Å; M417-F444 HydrophobicContact CB-CZ 4.31Å; M417-F444 HydrophobicContact CG-CE2 3.67Å; M417-F444 HydrophobicContact CG-CZ 3.6Å; M417-F444 HydrophobicContact SD-CZ 4.16Å; M417-L453 HydrophobicContact SD-CD1 4.06Å
418H87.4Confident82.9Confident60 Ų6071.4 Ų71.428%0.27832%0.324SS..Hα-helixtrans-64.2-42.6177.1177.3-107.5000111.6N414 E415 W421 R422 W439 G441N414-H418 VanDerWaalsContact O-CB 3.23Å; N414-H418 WeakPolarHBondContact O-CB 3.28Å; N414-H418 PolarHBondContact O-N 3.47Å; E415-H418 PolarHBondContact O-N 3.45Å; H418-W421 PolarHBondContact O-N 2.91Å; H418-R422 WeakPolarHBondContact O-CG 3.21Å; H418-R422 PolarHBondContact O-N 3.43Å; H418-R422 VanDerWaalsContact O-N 3.12Å; H418-W439 HydrophobicContact CB-CH2 4.02Å; H418-W439 HydrophobicContact CB-CZ2 4.27Å; H418-G441 PolarHBondContact CD2-O 3.39Å
419E84.2Confident83.7Confident91 Ų9170 Ų7043%0.42532%0.317SS..Hα-helixtrans-60.5-48.5172.9-72.8-164.3170.900111.4K392 E415 V416 W421 R422 F423K392-E419 HydrophobicContact CD-CB 4.33Å; K392-E419 IonicContact NZ-OE2 3.63Å; K392-E419 PolarHBondContact NZ-OE2 3.31Å; E415-E419 PolarHBondContact O-N 3.1Å; V416-E419 PolarHBondContact O-N 3.19Å; E419-W421 VanDerWaalsContact C-N 3.29Å; E419-W421 PolarHBondContact O-N 3.03Å; E419-R422 PolarHBondContact O-N 3.34Å; E419-F423 VanDerWaalsContact O-CD2 3.24Å; E419-F423 WeakPolarHBondContact O-CD2 3.28Å
420A86.6Confident84.4Confident0 Ų066.5 Ų66.50%030%0.3CS..Hα-helixtrans-59.6-39.4177.800000112.8K392 L393 V396 V416 M417 R422 F423 N424K392-A420 HydrophobicContact CB-CB 4.06Å; K392-A420 WeakPolarHBondContact O-CB 3.31Å; L393-A420 HydrophobicContact CD2-CB 4.13Å; V396-A420 HydrophobicContact CG2-CB 3.53Å; V416-A420 WeakPolarHBondContact O-CB 3.46Å; V416-A420 PolarHBondContact O-N 3.33Å; M417-A420 HydrophobicContact CE-CB 4.3Å; M417-A420 PolarHBondContact O-N 3.5Å; A420-R422 PolarHBondContact O-N 2.8Å; A420-F423 PolarHBondContact O-N 2.8Å; A420-N424 VanDerWaalsContact O-CB 3.31Å; A420-N424 WeakPolarHBondContact O-CB 3.38Å; A420-N424 PolarHBondContact O-N 3.01Å; A420-N424 VanDerWaalsContact O-N 3.15Å; A420-N424 PolarHBondContact O-ND2 3.02Å
421W86.3Confident84.8Confident51 Ų5168 Ų6819%0.19330%0.3CS..Hα-helixtrans-63-39.7177.4178.6-110.3000112.7M417 H418 E419 F423 N424 R425 L430 R431 L434 W439M417-W421 HydrophobicContact CE-CB 4.35Å; M417-W421 VanDerWaalsContact O-CB 3.28Å; M417-W421 WeakPolarHBondContact O-CB 3.47Å; M417-W421 PolarHBondContact O-N 3.02Å; H418-W421 PolarHBondContact O-N 2.91Å; E419-W421 VanDerWaalsContact C-N 3.29Å; E419-W421 PolarHBondContact O-N 3.03Å; W421-F423 VanDerWaalsContact C-N 3.3Å; W421-F423 PolarHBondContact O-N 3.22Å; W421-N424 PolarHBondContact O-N 3.32Å; W421-R425 PolarHBondContact O-N 3.43Å; W421-L430 HydrophobicContact CE3-CD2 4.46Å; W421-R431 HydrophobicContact CH2-CB 4.03Å; W421-R431 HydrophobicContact CH2-CG 3.48Å; W421-R431 VanDerWaalsContact CH2-CG 3.48Å; W421-R431 HydrophobicContact CZ2-CG 4.49Å; W421-R431 HydrophobicContact CZ3-CB 4.26Å; W421-R431 HydrophobicContact CZ3-CG 3.71Å; W421-L434 HydrophobicContact CE3-CD1 3.53Å; W421-L434 HydrophobicContact CZ3-CD1 3.59Å; W421-W439 HydrophobicContact CB-CZ2 4.16Å; W421-W439 AromaticContact CD1-NE1 3.96Å; W421-W439 AromaticContact CD2-NE1 3.57Å; W421-W439 AromaticContact CE2-NE1 3.83Å; W421-W439 AromaticContact CE3-NE1 3.96Å; W421-W439 HydrophobicContact CG-CZ2 4.4Å; W421-W439 AromaticContact CG-NE1 3.66Å
422R85.6Confident85Confident175 Ų17567.1 Ų67.166%0.6630%0.299SS*.Hα-helixtrans-60.4-38.9-179.9-71.9-17781.5-177.75.3112.9H418 E419 A420H418-R422 WeakPolarHBondContact O-CG 3.21Å; H418-R422 PolarHBondContact O-N 3.43Å; H418-R422 VanDerWaalsContact O-N 3.12Å; E419-R422 PolarHBondContact O-N 3.34Å; A420-R422 PolarHBondContact O-N 2.8Å
423F82.4Confident85.2Confident88 Ų8863.9 Ų63.939%0.38629%0.29SS..Hα-helixtrans-87.7-12.3180-64.7-81.9000113.7V388 A389 K392 E419 A420 W421V388-F423 HydrophobicContact CG1-CD1 4.26Å; V388-F423 HydrophobicContact CG1-CE1 4.06Å; V388-F423 HydrophobicContact CG1-CE2 4.49Å; V388-F423 HydrophobicContact CG1-CZ 4.19Å; A389-F423 HydrophobicContact CB-CB 3.96Å; K392-F423 HydrophobicContact CG-CD2 3.97Å; K392-F423 HydrophobicContact CG-CE2 4.35Å; E419-F423 VanDerWaalsContact O-CD2 3.24Å; E419-F423 WeakPolarHBondContact O-CD2 3.28Å; A420-F423 PolarHBondContact O-N 2.8Å; W421-F423 VanDerWaalsContact C-N 3.3Å; W421-F423 PolarHBondContact O-N 3.22Å
424N85.4Confident85.3Confident0 Ų063.8 Ų63.80%029%0.289CS..Hα-helixtrans-127.217.2-172.7-63.1-79.6000114.7A389 L393 A420 W421 D426 C427 L430 K464A389-N424 PolarHBondContact O-ND2 2.97Å; L393-N424 HydrophobicContact CD1-CB 4.4Å; L393-N424 WeakPolarHBondContact CD1-OD1 3.33Å; L393-N424 HydrophobicContact CD2-CB 4.25Å; L393-N424 WeakPolarHBondContact CG-ND2 3.26Å; A420-N424 VanDerWaalsContact O-CB 3.31Å; A420-N424 WeakPolarHBondContact O-CB 3.38Å; A420-N424 PolarHBondContact O-N 3.01Å; A420-N424 VanDerWaalsContact O-N 3.15Å; A420-N424 PolarHBondContact O-ND2 3.02Å; W421-N424 PolarHBondContact O-N 3.32Å; N424-D426 VanDerWaalsContact C-OD1 3.3Å; N424-D426 WeakPolarHBondContact CA-OD1 3.39Å; N424-D426 PolarHBondContact O-N 3.35Å; N424-C427 PolarHBondContact O-N 3.29Å; N424-C427 VanDerWaalsContact O-N 3.09Å; N424-L430 HydrophobicContact CB-CD2 3.58Å; N424-K464 WeakPolarHBondContact OD1-CE 3.35Å; N424-K464 PolarHBondContact OD1-NZ 2.99Å
425R81Confident85Confident176 Ų17669.6 Ų69.666%0.66432%0.315SS*.THydrogen-bonded Turntrans-59.7-15.417965.8179.3-178.8174.3-0.6114.8W421 R431W421-R425 PolarHBondContact O-N 3.43Å; R425-R431 VanDerWaalsContact O-CD 3.29Å; R425-R431 WeakPolarHBondContact O-CD 3.4Å; R425-R431 PolarHBondContact O-NH1 3.09Å
426D80.4Confident84.9Confident106 Ų10667.6 Ų67.657%0.56732%0.321SS*.THydrogen-bonded Turntrans-83.6-23.8179.161.7-31.8000113N424 K428 K464N424-D426 VanDerWaalsContact C-OD1 3.3Å; N424-D426 WeakPolarHBondContact CA-OD1 3.39Å; N424-D426 PolarHBondContact O-N 3.35Å; D426-K428 PolarHBondContact O-N 3.02Å; D426-K464 IonicContact OD1-NZ 3.5Å; D426-K464 PolarHBondContact OD1-NZ 3.12Å; D426-K464 IonicContact OD2-NZ 3.42Å
427C84.1Confident84.8Confident7 Ų767.2 Ų67.25%0.04732%0.318CS..  trans-72112178.8175.30000111.2N424 L430 R431 E463N424-C427 PolarHBondContact O-N 3.29Å; N424-C427 VanDerWaalsContact O-N 3.09Å; C427-L430 HydrophobicContact CB-CB 3.93Å; C427-L430 PolarHBondContact O-N 3.3Å; C427-L430 PolarHBondContact SG-N 3.47Å; C427-L430 VanDerWaalsContact SG-N 3.44Å; C427-R431 WeakPolarHBondContact O-CG 3.42Å; C427-R431 PolarHBondContact O-N 2.94Å; C427-R431 VanDerWaalsContact O-N 3.14Å; C427-E463 PolarHBondContact SG-OE2 3.47Å; C427-E463 VanDerWaalsContact SG-OE2 3.34Å
428K83.8Confident84.6Confident134 Ų13469.3 Ų69.358%0.58333%0.333SS*.Hα-helixtrans-63.3-44.5-177.6-172.4-177.6174.7-172.50112.3D426 L430 R431 D432D426-K428 PolarHBondContact O-N 3.02Å; K428-L430 VanDerWaalsContact C-N 3.3Å; K428-L430 PolarHBondContact O-N 3.44Å; K428-R431 PolarHBondContact O-N 3.35Å; K428-D432 WeakPolarHBondContact CE-OD2 3.24Å; K428-D432 PolarHBondContact O-N 3Å
429L85.4Confident84.7Confident79 Ų7967.5 Ų67.541%0.41432%0.323SS..Hα-helixtrans-57.8-41.8177.7-97.8154.9000112.3G433 E463L429-G433 PolarHBondContact O-N 3.16Å; L429-E463 WeakPolarHBondContact CB-OE2 3.34Å; L429-E463 HydrophobicContact CD1-CB 4.31Å; L429-E463 HydrophobicContact CD1-CG 4.31Å; L429-E463 VanDerWaalsContact CD1-OE2 3.29Å; L429-E463 WeakPolarHBondContact CD1-OE2 3.37Å
430L87.4Confident84.6Confident0 Ų068.2 Ų68.20%033%0.33CS..Hα-helixtrans-65.9-43.4177-172.465.5000111.6L393 M417 W421 N424 C427 K428 L434 I456 V457 A460L393-L430 HydrophobicContact CD2-CD1 4.31Å; L393-L430 HydrophobicContact CD2-CD2 3.74Å; M417-L430 HydrophobicContact CE-CD1 4.45Å; W421-L430 HydrophobicContact CE3-CD2 4.46Å; N424-L430 HydrophobicContact CB-CD2 3.58Å; C427-L430 HydrophobicContact CB-CB 3.93Å; C427-L430 PolarHBondContact O-N 3.3Å; C427-L430 PolarHBondContact SG-N 3.47Å; C427-L430 VanDerWaalsContact SG-N 3.44Å; K428-L430 VanDerWaalsContact C-N 3.3Å; K428-L430 PolarHBondContact O-N 3.44Å; L430-L434 HydrophobicContact CD1-CD1 3.9Å; L430-L434 HydrophobicContact CD1-CG 4.21Å; L430-L434 HydrophobicContact CG-CD1 3.78Å; L430-L434 HydrophobicContact CG-CG 4.43Å; L430-L434 WeakPolarHBondContact O-CB 3.4Å; L430-L434 WeakPolarHBondContact O-CD1 3.41Å; L430-L434 WeakPolarHBondContact O-CG 3.23Å; L430-L434 PolarHBondContact O-N 3.1Å; L430-I456 HydrophobicContact CD1-CG2 4.43Å; L430-V457 HydrophobicContact CD1-CG2 4.13Å; L430-A460 HydrophobicContact CB-CB 3.99Å; L430-A460 HydrophobicContact CD1-CB 4.18Å
431R86.1Confident84.2Confident110 Ų11069.2 Ų69.242%0.41534%0.341SS..Hα-helixtrans-62-50.4177.5-64.7-161.1-70.6-134.60.1112.4W421 R425 C427 K428 G433 L434 Q435W421-R431 HydrophobicContact CH2-CB 4.03Å; W421-R431 HydrophobicContact CH2-CG 3.48Å; W421-R431 VanDerWaalsContact CH2-CG 3.48Å; W421-R431 HydrophobicContact CZ2-CG 4.49Å; W421-R431 HydrophobicContact CZ3-CB 4.26Å; W421-R431 HydrophobicContact CZ3-CG 3.71Å; R425-R431 VanDerWaalsContact O-CD 3.29Å; R425-R431 WeakPolarHBondContact O-CD 3.4Å; R425-R431 PolarHBondContact O-NH1 3.09Å; C427-R431 WeakPolarHBondContact O-CG 3.42Å; C427-R431 PolarHBondContact O-N 2.94Å; C427-R431 VanDerWaalsContact O-N 3.14Å; K428-R431 PolarHBondContact O-N 3.35Å; R431-G433 VanDerWaalsContact C-N 3.32Å; R431-G433 PolarHBondContact O-N 3.35Å; R431-L434 PolarHBondContact O-N 3.15Å; R431-Q435 PolarHBondContact O-N 3.03Å; R431-Q435 VanDerWaalsContact O-N 3.14Å
432D85.2Confident83.9Confident89 Ų8975.8 Ų75.848%0.47637%0.366SS..Hα-helixtrans-65.7-39.1-176.6-64.7-8.6000110.3K428K428-D432 WeakPolarHBondContact CE-OD2 3.24Å; K428-D432 PolarHBondContact O-N 3Å
433G85.1Confident83.9Confident18 Ų1869.4 Ų69.419%0.18635%0.348CS..Hα-helixtrans-67.2-40.6177.200000113.8L429 R431 G436L429-G433 PolarHBondContact O-N 3.16Å; R431-G433 VanDerWaalsContact C-N 3.32Å; R431-G433 PolarHBondContact O-N 3.35Å; G433-G436 PolarHBondContact O-N 3.13Å
434L86.8Confident84.2Confident0 Ų066 Ų660%033%0.333CS..Hα-helixtrans-73-29-179.6-71.8172.8000113.2M417 W421 L430 R431 G436 L437 S438 W439 F444 L453M417-L434 HydrophobicContact CE-CD1 3.43Å; M417-L434 VanDerWaalsContact CE-CD1 3.43Å; M417-L434 HydrophobicContact CE-CD2 4.07Å; M417-L434 HydrophobicContact CE-CG 4.38Å; M417-L434 HydrophobicContact SD-CD1 4.41Å; M417-L434 HydrophobicContact SD-CD2 3.99Å; W421-L434 HydrophobicContact CE3-CD1 3.53Å; W421-L434 HydrophobicContact CZ3-CD1 3.59Å; L430-L434 HydrophobicContact CD1-CD1 3.9Å; L430-L434 HydrophobicContact CD1-CG 4.21Å; L430-L434 HydrophobicContact CG-CD1 3.78Å; L430-L434 HydrophobicContact CG-CG 4.43Å; L430-L434 WeakPolarHBondContact O-CB 3.4Å; L430-L434 WeakPolarHBondContact O-CD1 3.41Å; L430-L434 WeakPolarHBondContact O-CG 3.23Å; L430-L434 PolarHBondContact O-N 3.1Å; R431-L434 PolarHBondContact O-N 3.15Å; L434-G436 PolarHBondContact O-N 3.07Å; L434-L437 CarbonylContact O-C 3.59Å; L434-L437 PolarHBondContact O-N 3.21Å; L434-S438 PolarHBondContact O-N 3.33Å; L434-W439 HydrophobicContact CB-CB 3.82Å; L434-W439 HydrophobicContact CB-CG 4.13Å; L434-W439 HydrophobicContact CD1-CG 4.43Å; L434-W439 WeakPolarHBondContact O-CB 3.46Å; L434-W439 PolarHBondContact O-N 3.03Å; L434-F444 HydrophobicContact CD2-CE1 3.96Å; L434-F444 HydrophobicContact CD2-CZ 4.01Å; L434-L453 HydrophobicContact CD2-CD1 3.47Å; L434-L453 VanDerWaalsContact CD2-CD1 3.47Å
435Q81.4Confident84Confident156 Ų15670.1 Ų70.173%0.72936%0.362SS*.Hα-helixtrans-61-34.6172.3-167.9175.6900111.6R431 L437 S438R431-Q435 PolarHBondContact O-N 3.03Å; R431-Q435 VanDerWaalsContact O-N 3.14Å; Q435-L437 PolarHBondContact O-N 3.34Å; Q435-S438 PolarHBondContact O-N 3.45Å
436G81.3Confident84.1Confident56 Ų5666.3 Ų66.358%0.57736%0.355SS*.THydrogen-bonded Turntrans-74.5-0.417400000115.3G433 L434G433-G436 PolarHBondContact O-N 3.13Å; L434-G436 PolarHBondContact O-N 3.07Å
437L85.3Confident84.1Confident16 Ų1670.4 Ų70.48%0.08437%0.367CS..THydrogen-bonded Turntrans-119.415.4177-69.7179.1000112.5L434 Q435 W439 F444 V448 K452 L453 I456L434-L437 CarbonylContact O-C 3.59Å; L434-L437 PolarHBondContact O-N 3.21Å; Q435-L437 PolarHBondContact O-N 3.34Å; L437-W439 VanDerWaalsContact C-N 3.33Å; L437-W439 PolarHBondContact O-N 3.12Å; L437-F444 HydrophobicContact CB-CD1 4.36Å; L437-F444 HydrophobicContact CB-CE1 4.08Å; L437-F444 WeakPolarHBondContact O-CD1 3.43Å; L437-V448 HydrophobicContact CD1-CG1 4.41Å; L437-K452 HydrophobicContact CD2-CD 4.07Å; L437-K452 HydrophobicContact CD2-CG 4.37Å; L437-L453 HydrophobicContact CD1-CB 3.83Å; L437-L453 HydrophobicContact CD1-CD1 3.81Å; L437-L453 HydrophobicContact CD1-CG 4.41Å; L437-I456 HydrophobicContact CD1-CD1 3.82Å; L437-I456 HydrophobicContact CG-CD1 4.3Å
438S85.9Confident84.1Confident44 Ų4471 Ų7131%0.30837%0.37SS..THydrogen-bonded Turntrans6037.1179.9-47.40000114L434 Q435 S445 D446L434-S438 PolarHBondContact O-N 3.33Å; Q435-S438 PolarHBondContact O-N 3.45Å; S438-S445 VanDerWaalsContact CB-OG 3.29Å; S438-S445 WeakPolarHBondContact CB-OG 3.5Å; S438-S445 PolarHBondContact O-N 2.82Å; S438-S445 PolarHBondContact O-OG 2.82Å; S438-D446 WeakPolarHBondContact CB-OD2 3.31Å; S438-D446 PolarHBondContact OG-OD2 3.47Å
439W88.8Confident84.2Confident21 Ų2168.8 Ų68.88%0.0837%0.365CS..BIsolated β-bridgetrans-81.1123.6172.3-177.1-109.9000111.2M417 H418 W421 L434 L437 G441 R442 S443 F444M417-W439 HydrophobicContact CB-CH2 3.74Å; M417-W439 HydrophobicContact CB-CZ2 4.41Å; M417-W439 HydrophobicContact CB-CZ3 3.86Å; M417-W439 HydrophobicContact CG-CD2 4.26Å; M417-W439 HydrophobicContact CG-CE3 3.98Å; M417-W439 HydrophobicContact CG-CH2 3.59Å; M417-W439 HydrophobicContact CG-CZ2 3.88Å; M417-W439 HydrophobicContact CG-CZ3 3.62Å; H418-W439 HydrophobicContact CB-CH2 4.02Å; H418-W439 HydrophobicContact CB-CZ2 4.27Å; W421-W439 HydrophobicContact CB-CZ2 4.16Å; W421-W439 AromaticContact CD1-NE1 3.96Å; W421-W439 AromaticContact CD2-NE1 3.57Å; W421-W439 AromaticContact CE2-NE1 3.83Å; W421-W439 AromaticContact CE3-NE1 3.96Å; W421-W439 HydrophobicContact CG-CZ2 4.4Å; W421-W439 AromaticContact CG-NE1 3.66Å; L434-W439 HydrophobicContact CB-CB 3.82Å; L434-W439 HydrophobicContact CB-CG 4.13Å; L434-W439 HydrophobicContact CD1-CG 4.43Å; L434-W439 WeakPolarHBondContact O-CB 3.46Å; L434-W439 PolarHBondContact O-N 3.03Å; L437-W439 VanDerWaalsContact C-N 3.33Å; L437-W439 PolarHBondContact O-N 3.12Å; W439-G441 VanDerWaalsContact NE1-CA 3.31Å; W439-R442 VanDerWaalsContact CH2-C 3.46Å; W439-R442 WeakPolarHBondContact CH2-O 3.49Å; W439-S443 VanDerWaalsContact CZ3-C 3.44Å; W439-F444 HydrophobicContact CB-CD1 3.95Å; W439-F444 HydrophobicContact CB-CE1 3.85Å; W439-F444 HydrophobicContact CD2-CD1 4.36Å; W439-F444 HydrophobicContact CD2-CE1 4.14Å; W439-F444 HydrophobicContact CD2-CZ 4.28Å; W439-F444 HydrophobicContact CE3-CB 4.45Å; W439-F444 AromaticContact CE3-CD1 3.58Å; W439-F444 HydrophobicContact CE3-CD1 3.58Å; W439-F444 AromaticContact CE3-CD2 3.56Å; W439-F444 HydrophobicContact CE3-CD2 3.56Å; W439-F444 AromaticContact CE3-CE1 3.57Å; W439-F444 HydrophobicContact CE3-CE1 3.57Å; W439-F444 AromaticContact CE3-CE2 3.55Å; W439-F444 HydrophobicContact CE3-CE2 3.55Å; W439-F444 AromaticContact CE3-CG 3.58Å; W439-F444 HydrophobicContact CE3-CG 3.58Å; W439-F444 AromaticContact CE3-CZ 3.55Å; W439-F444 HydrophobicContact CE3-CZ 3.55Å; W439-F444 HydrophobicContact CG-CE1 4.3Å; W439-F444 HydrophobicContact CZ3-CD1 4.45Å; W439-F444 AromaticContact CZ3-CD2 3.6Å; W439-F444 HydrophobicContact CZ3-CD2 3.6Å; W439-F444 HydrophobicContact CZ3-CE1 4.44Å; W439-F444 AromaticContact CZ3-CE2 3.57Å; W439-F444 HydrophobicContact CZ3-CE2 3.57Å; W439-F444 HydrophobicContact CZ3-CG 4.07Å; W439-F444 HydrophobicContact CZ3-CZ 4.02Å
440D81.9Confident84.1Confident106 Ų10667.2 Ų67.257%0.56735%0.354SS*.  trans-94.62.4-179.269.19.5000114.1R442 S443D440-R442 WeakPolarHBondContact OD1-CA 3.28Å; D440-R442 PolarHBondContact OD1-N 3.37Å; D440-S443 VanDerWaalsContact CG-O 3.3Å; D440-S443 PolarHBondContact N-O 3.48Å; D440-S443 VanDerWaalsContact N-O 3.12Å; D440-S443 PolarHBondContact OD1-N 3.29Å
441G78.4Confident83.8Confident22 Ų2274 Ų7423%0.22739%0.389CS..SBendtrans99.5-10.3-174.300000114.2H418 W439H418-G441 PolarHBondContact CD2-O 3.39Å; W439-G441 VanDerWaalsContact NE1-CA 3.31Å
442R80.5Confident83.7Confident188 Ų18874 Ų7471%0.70939%0.392SS*.SBendtrans-132.3-37.3179.5-168.5172.4-176.4177.8-0.4113.4W439 D440W439-R442 VanDerWaalsContact CH2-C 3.46Å; W439-R442 WeakPolarHBondContact CH2-O 3.49Å; D440-R442 WeakPolarHBondContact OD1-CA 3.28Å; D440-R442 PolarHBondContact OD1-N 3.37Å
443S85.7Confident83.8Confident41 Ų4169.8 Ų69.829%0.28737%0.37SS..SBendtrans-151161.5178.845.20000111.3N414 W439 D440N414-S443 WeakPolarHBondContact OD1-CA 3.23Å; W439-S443 VanDerWaalsContact CZ3-C 3.44Å; D440-S443 VanDerWaalsContact CG-O 3.3Å; D440-S443 PolarHBondContact N-O 3.48Å; D440-S443 VanDerWaalsContact N-O 3.12Å; D440-S443 PolarHBondContact OD1-N 3.29Å
444F88.1Confident83.7Confident17 Ų1769.6 Ų69.68%0.07537%0.366CS..BIsolated β-bridgetrans-80.8124.9166.7-62-78.4000109.4N414 M417 L434 L437 W439 D446 V448 L453N414-F444 WeakPolarHBondContact OD1-CD2 3.37Å; N414-F444 PolarHBondContact OD1-N 2.76Å; M417-F444 HydrophobicContact CB-CE2 3.87Å; M417-F444 HydrophobicContact CB-CZ 4.31Å; M417-F444 HydrophobicContact CG-CE2 3.67Å; M417-F444 HydrophobicContact CG-CZ 3.6Å; M417-F444 HydrophobicContact SD-CZ 4.16Å; L434-F444 HydrophobicContact CD2-CE1 3.96Å; L434-F444 HydrophobicContact CD2-CZ 4.01Å; L437-F444 HydrophobicContact CB-CD1 4.36Å; L437-F444 HydrophobicContact CB-CE1 4.08Å; L437-F444 WeakPolarHBondContact O-CD1 3.43Å; W439-F444 HydrophobicContact CB-CD1 3.95Å; W439-F444 HydrophobicContact CB-CE1 3.85Å; W439-F444 HydrophobicContact CD2-CD1 4.36Å; W439-F444 HydrophobicContact CD2-CE1 4.14Å; W439-F444 HydrophobicContact CD2-CZ 4.28Å; W439-F444 HydrophobicContact CE3-CB 4.45Å; W439-F444 AromaticContact CE3-CD1 3.58Å; W439-F444 HydrophobicContact CE3-CD1 3.58Å; W439-F444 AromaticContact CE3-CD2 3.56Å; W439-F444 HydrophobicContact CE3-CD2 3.56Å; W439-F444 AromaticContact CE3-CE1 3.57Å; W439-F444 HydrophobicContact CE3-CE1 3.57Å; W439-F444 AromaticContact CE3-CE2 3.55Å; W439-F444 HydrophobicContact CE3-CE2 3.55Å; W439-F444 AromaticContact CE3-CG 3.58Å; W439-F444 HydrophobicContact CE3-CG 3.58Å; W439-F444 AromaticContact CE3-CZ 3.55Å; W439-F444 HydrophobicContact CE3-CZ 3.55Å; W439-F444 HydrophobicContact CG-CE1 4.3Å; W439-F444 HydrophobicContact CZ3-CD1 4.45Å; W439-F444 AromaticContact CZ3-CD2 3.6Å; W439-F444 HydrophobicContact CZ3-CD2 3.6Å; W439-F444 HydrophobicContact CZ3-CE1 4.44Å; W439-F444 AromaticContact CZ3-CE2 3.57Å; W439-F444 HydrophobicContact CZ3-CE2 3.57Å; W439-F444 HydrophobicContact CZ3-CG 4.07Å; W439-F444 HydrophobicContact CZ3-CZ 4.02Å; F444-D446 VanDerWaalsContact C-N 3.32Å; F444-V448 HydrophobicContact CB-CG2 3.34Å; F444-V448 HydrophobicContact CD1-CG2 3.55Å; F444-V448 HydrophobicContact CD2-CG2 3.39Å; F444-V448 HydrophobicContact CE1-CG1 4.4Å; F444-V448 HydrophobicContact CE1-CG2 4.13Å; F444-V448 HydrophobicContact CE2-CG2 4Å; F444-V448 HydrophobicContact CG-CG2 3.12Å; F444-V448 HydrophobicContact CZ-CG1 4.45Å; F444-V448 HydrophobicContact CZ-CG2 4.34Å; F444-L453 HydrophobicContact CE2-CD2 3.98Å; F444-L453 HydrophobicContact CZ-CD1 3.95Å; F444-L453 HydrophobicContact CZ-CD2 3.69Å; F444-L453 HydrophobicContact CZ-CG 4.49Å
445S82.2Confident83.5Confident86 Ų8674 Ų7460%0.60139%0.387SS*.SBendtrans-76.9-21.9178.363.10000112.9S438S438-S445 VanDerWaalsContact CB-OG 3.29Å; S438-S445 WeakPolarHBondContact CB-OG 3.5Å; S438-S445 PolarHBondContact O-N 2.82Å; S438-S445 PolarHBondContact O-OG 2.82Å
446D82.6Confident83.8Confident97 Ų9767.8 Ų67.852%0.51936%0.358SS..SBendtrans-119.1163.9178.8-63.1-50.4000111.3S438 F444 V448S438-D446 WeakPolarHBondContact CB-OD2 3.31Å; S438-D446 PolarHBondContact OG-OD2 3.47Å; F444-D446 VanDerWaalsContact C-N 3.32Å; D446-V448 PolarHBondContact O-N 2.96Å
447K80.3Confident84.1Confident192 Ų19265.1 Ų65.184%0.83533%0.331SS*.  trans-62.4124.5174.5-171.8175.4-175.9175.80110.4
448V83.5Confident84Confident18 Ų1868.9 Ų68.911%0.10935%0.347CS..  trans-86.1132-173.3-171.40000111.8L413 L437 F444 D446 R450 L453L413-V448 HydrophobicContact CD2-CB 4.4Å; L437-V448 HydrophobicContact CD1-CG1 4.41Å; F444-V448 HydrophobicContact CB-CG2 3.34Å; F444-V448 HydrophobicContact CD1-CG2 3.55Å; F444-V448 HydrophobicContact CD2-CG2 3.39Å; F444-V448 HydrophobicContact CE1-CG1 4.4Å; F444-V448 HydrophobicContact CE1-CG2 4.13Å; F444-V448 HydrophobicContact CE2-CG2 4Å; F444-V448 HydrophobicContact CG-CG2 3.12Å; F444-V448 HydrophobicContact CZ-CG1 4.45Å; F444-V448 HydrophobicContact CZ-CG2 4.34Å; D446-V448 PolarHBondContact O-N 2.96Å; V448-R450 PolarHBondContact O-N 3.15Å; V448-R450 VanDerWaalsContact O-N 3.13Å; V448-L453 HydrophobicContact CG1-CB 3.96Å; V448-L453 HydrophobicContact CG1-CD2 3.91Å; V448-L453 HydrophobicContact CG1-CG 4.49Å
449D86.2Confident83.9Confident88 Ų8870.8 Ų70.847%0.47135%0.351SS..  trans-72101.5161.7-176.2-22.3000109.3L451 K452 L453D449-L451 VanDerWaalsContact C-N 3.28Å; D449-L451 PolarHBondContact O-N 2.84Å; D449-L451 PolarHBondContact OD1-N 2.86Å; D449-L451 VanDerWaalsContact OD1-N 3.07Å; D449-K452 HydrophobicContact CB-CB 3.89Å; D449-K452 PolarHBondContact O-N 3.2Å; D449-K452 PolarHBondContact OD1-N 3.49Å; D449-K452 VanDerWaalsContact OD1-N 3.15Å; D449-L453 PolarHBondContact O-N 2.94Å
450R84.6Confident83.7Confident47 Ų4769.8 Ų69.818%0.17735%0.347CS..Hα-helixtrans-64.7-29.7-174.7-63.1-173.3-178.4177.15.8113.1C400 E409 D410 L413 V448 A454C400-R450 HydrophobicContact CB-CB 4.1Å; C400-R450 WeakPolarHBondContact CB-O 3.29Å; C400-R450 PolarHBondContact SG-O 3.45Å; E409-R450 IonicContact OE2-CZ 3.67Å; E409-R450 IonicContact OE2-NH1 2.95Å; E409-R450 PolarHBondContact OE2-NH1 2.82Å; E409-R450 IonicContact OE2-NH2 3.54Å; E409-R450 PolarHBondContact OE2-NH2 3.31Å; D410-R450 IonicContact OD1-CZ 3.97Å; D410-R450 IonicContact OD1-NH2 3.16Å; D410-R450 PolarHBondContact OD1-NH2 3.03Å; L413-R450 HydrophobicContact CD2-CG 4.08Å; V448-R450 PolarHBondContact O-N 3.15Å; V448-R450 VanDerWaalsContact O-N 3.13Å; R450-A454 WeakPolarHBondContact O-CB 3.5Å; R450-A454 PolarHBondContact O-N 2.96Å
451L80.9Confident83.7Confident142 Ų14265.7 Ų65.774%0.74332%0.324SS*.Hα-helixtrans-72.8-42.7177-72.6169.3000110.4D449 A454 E455D449-L451 VanDerWaalsContact C-N 3.28Å; D449-L451 PolarHBondContact O-N 2.84Å; D449-L451 PolarHBondContact OD1-N 2.86Å; D449-L451 VanDerWaalsContact OD1-N 3.07Å; L451-A454 PolarHBondContact O-N 3.23Å; L451-E455 PolarHBondContact O-N 2.96Å; L451-E455 VanDerWaalsContact O-N 3.1Å
452K83.3Confident83.8Confident111 Ų11169.2 Ų69.248%0.48334%0.335SS..Hα-helixtrans-64.9-40.3175.9-169.6174.1177.9-171.30112L437 D449 E455 I456L437-K452 HydrophobicContact CD2-CD 4.07Å; L437-K452 HydrophobicContact CD2-CG 4.37Å; D449-K452 HydrophobicContact CB-CB 3.89Å; D449-K452 PolarHBondContact O-N 3.2Å; D449-K452 PolarHBondContact OD1-N 3.49Å; D449-K452 VanDerWaalsContact OD1-N 3.15Å; K452-E455 PolarHBondContact O-N 3.13Å; K452-I456 HydrophobicContact CG-CD1 4.29Å; K452-I456 WeakPolarHBondContact O-CG1 3.29Å; K452-I456 PolarHBondContact O-N 3.34Å; K452-I456 VanDerWaalsContact O-N 3.16Å
453L87Confident83.8Confident0 Ų063.5 Ų63.50%032%0.316CS..Hα-helixtrans-61.7-46.4173.5178.359.9000111.8V396 L413 M417 L434 L437 F444 V448 D449 E455 I456 V457V396-L453 HydrophobicContact CG1-CD2 4.09Å; V396-L453 HydrophobicContact CG1-CG 4.27Å; L413-L453 HydrophobicContact CD1-CD2 4.11Å; L413-L453 HydrophobicContact CD2-CD2 4.33Å; L413-L453 HydrophobicContact CG-CD2 4.45Å; M417-L453 HydrophobicContact SD-CD1 4.06Å; L434-L453 HydrophobicContact CD2-CD1 3.47Å; L434-L453 VanDerWaalsContact CD2-CD1 3.47Å; L437-L453 HydrophobicContact CD1-CB 3.83Å; L437-L453 HydrophobicContact CD1-CD1 3.81Å; L437-L453 HydrophobicContact CD1-CG 4.41Å; F444-L453 HydrophobicContact CE2-CD2 3.98Å; F444-L453 HydrophobicContact CZ-CD1 3.95Å; F444-L453 HydrophobicContact CZ-CD2 3.69Å; F444-L453 HydrophobicContact CZ-CG 4.49Å; V448-L453 HydrophobicContact CG1-CB 3.96Å; V448-L453 HydrophobicContact CG1-CD2 3.91Å; V448-L453 HydrophobicContact CG1-CG 4.49Å; D449-L453 PolarHBondContact O-N 2.94Å; L453-E455 VanDerWaalsContact C-N 3.29Å; L453-E455 PolarHBondContact O-N 3.44Å; L453-I456 PolarHBondContact O-N 2.92Å; L453-V457 HydrophobicContact CD1-CG2 4Å; L453-V457 HydrophobicContact CG-CG2 4.41Å; L453-V457 VanDerWaalsContact O-CG2 3.28Å; L453-V457 WeakPolarHBondContact O-CG2 3.38Å; L453-V457 PolarHBondContact O-N 3.35Å
454A83.3Confident83.2Confident13 Ų1362.8 Ų62.811%0.10731%0.308CS..Hα-helixtrans-60.6-38.1179.300000112.6C400 R450 L451 K458C400-A454 HydrophobicContact CB-CB 3.93Å; R450-A454 WeakPolarHBondContact O-CB 3.5Å; R450-A454 PolarHBondContact O-N 2.96Å; L451-A454 PolarHBondContact O-N 3.23Å; A454-K458 VanDerWaalsContact O-CB 3.28Å; A454-K458 WeakPolarHBondContact O-CB 3.44Å; A454-K458 PolarHBondContact O-N 3.49Å
455E83.3Confident82.5Confident93 Ų9364.1 Ų64.144%0.43532%0.318SS..Hα-helixtrans-68.3-42.8178.2-168.962-162.700112.1L451 K452 L453 V457 K458 Q459L451-E455 PolarHBondContact O-N 2.96Å; L451-E455 VanDerWaalsContact O-N 3.1Å; K452-E455 PolarHBondContact O-N 3.13Å; L453-E455 VanDerWaalsContact C-N 3.29Å; L453-E455 PolarHBondContact O-N 3.44Å; E455-V457 VanDerWaalsContact C-N 3.35Å; E455-V457 PolarHBondContact O-N 3.25Å; E455-K458 PolarHBondContact O-N 3.46Å; E455-Q459 WeakPolarHBondContact O-CG 3.37Å; E455-Q459 PolarHBondContact O-N 3.04Å
456I87.1Confident81.8Confident26 Ų2665.2 Ų65.213%0.13332%0.317CS..Hα-helixtrans-60.8-45.5175.5-70.2164.1000110.7L430 L437 K452 L453 K458 Q459 A460L430-I456 HydrophobicContact CD1-CG2 4.43Å; L437-I456 HydrophobicContact CD1-CD1 3.82Å; L437-I456 HydrophobicContact CG-CD1 4.3Å; K452-I456 HydrophobicContact CG-CD1 4.29Å; K452-I456 WeakPolarHBondContact O-CG1 3.29Å; K452-I456 PolarHBondContact O-N 3.34Å; K452-I456 VanDerWaalsContact O-N 3.16Å; L453-I456 PolarHBondContact O-N 2.92Å; I456-K458 VanDerWaalsContact C-N 3.32Å; I456-K458 PolarHBondContact O-N 3.09Å; I456-Q459 PolarHBondContact O-N 2.84Å; I456-A460 PolarHBondContact O-N 2.98Å; I456-A460 VanDerWaalsContact O-N 3.09Å
457V87.1Confident80.6Confident0 Ų065.3 Ų65.30%032%0.317CS..Hα-helixtrans-66.5-36.5179.7175.30000111.3L393 V396 I397 L430 L453 E455 A460 I461L393-V457 HydrophobicContact CB-CG1 3.78Å; L393-V457 HydrophobicContact CD2-CG1 3.91Å; L393-V457 HydrophobicContact CG-CG1 4.4Å; L393-V457 WeakPolarHBondContact O-CG1 3.32Å; V396-V457 HydrophobicContact CB-CG1 4.42Å; V396-V457 HydrophobicContact CG1-CG2 4.02Å; I397-V457 HydrophobicContact CD1-CB 4.42Å; I397-V457 HydrophobicContact CD1-CG1 4Å; I397-V457 HydrophobicContact CG1-CB 4.06Å; I397-V457 HydrophobicContact CG1-CG1 3.74Å; L430-V457 HydrophobicContact CD1-CG2 4.13Å; L453-V457 HydrophobicContact CD1-CG2 4Å; L453-V457 HydrophobicContact CG-CG2 4.41Å; L453-V457 VanDerWaalsContact O-CG2 3.28Å; L453-V457 WeakPolarHBondContact O-CG2 3.38Å; L453-V457 PolarHBondContact O-N 3.35Å; E455-V457 VanDerWaalsContact C-N 3.35Å; E455-V457 PolarHBondContact O-N 3.25Å; V457-A460 PolarHBondContact O-N 3.26Å; V457-I461 HydrophobicContact CG1-CD1 4.34Å; V457-I461 WeakPolarHBondContact O-CG1 3.4Å; V457-I461 PolarHBondContact O-N 2.86Å
458K84.1Confident79.6Confident95 Ų9560.4 Ų60.441%0.41330%0.297SS..Hα-helixtrans-64.2-43.7175.5-175.9-174167.8-152.20111.9I397 A454 E455 I456 A460 I461 E462I397-K458 HydrophobicContact CD1-CB 4.02Å; A454-K458 VanDerWaalsContact O-CB 3.28Å; A454-K458 WeakPolarHBondContact O-CB 3.44Å; A454-K458 PolarHBondContact O-N 3.49Å; E455-K458 PolarHBondContact O-N 3.46Å; I456-K458 VanDerWaalsContact C-N 3.32Å; I456-K458 PolarHBondContact O-N 3.09Å; K458-A460 VanDerWaalsContact C-N 3.3Å; K458-A460 PolarHBondContact O-N 2.8Å; K458-I461 WeakPolarHBondContact O-CB 3.19Å; K458-I461 PolarHBondContact O-N 3.25Å; K458-E462 VanDerWaalsContact CE-OE1 3.31Å; K458-E462 WeakPolarHBondContact CE-OE1 3.48Å; K458-E462 PolarHBondContact O-N 3.36Å
459Q84.1Confident78.1Confident84 Ų8465.9 Ų65.939%0.39333%0.326SS..Hα-helixtrans-62.5-38.2175.7-70.2174.17.600111.8E455 I456 E462 E463E455-Q459 WeakPolarHBondContact O-CG 3.37Å; E455-Q459 PolarHBondContact O-N 3.04Å; I456-Q459 PolarHBondContact O-N 2.84Å; Q459-E462 PolarHBondContact O-N 3.37Å; Q459-E463 PolarHBondContact O-N 3.14Å
460A83.8Confident76.3Confident0 Ų065.8 Ų65.80%033%0.332CS..Hα-helixtrans-65.2-36.4174.500000113L430 I456 V457 K458 K464L430-A460 HydrophobicContact CB-CB 3.99Å; L430-A460 HydrophobicContact CD1-CB 4.18Å; I456-A460 PolarHBondContact O-N 2.98Å; I456-A460 VanDerWaalsContact O-N 3.09Å; V457-A460 PolarHBondContact O-N 3.26Å; K458-A460 VanDerWaalsContact C-N 3.3Å; K458-A460 PolarHBondContact O-N 2.8Å; A460-K464 PolarHBondContact O-N 3.18Å; A460-K464 VanDerWaalsContact O-N 3.1Å
461I81.9Confident74.2Confident19 Ų1974.7 Ų74.710%0.09738%0.375CS..Hα-helixtrans-65-44.2173.4-70.6168.1000110.7L390 L393 R394 I397 V457 K458 K464 T465L390-I461 HydrophobicContact CD2-CG1 4.45Å; L390-I461 HydrophobicContact CD2-CG2 4.21Å; L393-I461 HydrophobicContact CB-CD1 3.76Å; L393-I461 HydrophobicContact CB-CG1 3.63Å; L393-I461 HydrophobicContact CD1-CG1 3.85Å; L393-I461 HydrophobicContact CG-CG1 4.39Å; R394-I461 HydrophobicContact CG-CD1 3.85Å; I397-I461 HydrophobicContact CD1-CD1 3.67Å; V457-I461 HydrophobicContact CG1-CD1 4.34Å; V457-I461 WeakPolarHBondContact O-CG1 3.4Å; V457-I461 PolarHBondContact O-N 2.86Å; K458-I461 WeakPolarHBondContact O-CB 3.19Å; K458-I461 PolarHBondContact O-N 3.25Å; I461-K464 PolarHBondContact O-N 3.02Å; I461-T465 WeakPolarHBondContact O-CB 3.29Å; I461-T465 PolarHBondContact O-N 2.99Å; I461-T465 PolarHBondContact O-OG1 3.46Å
462E80.6Confident73.8Confident97 Ų9771.3 Ų71.345%0.45336%0.357SS..Hα-helixtrans-63-42.4179.1-72.1174.2-172.200111.5K458 Q459 T465 N466K458-E462 VanDerWaalsContact CE-OE1 3.31Å; K458-E462 WeakPolarHBondContact CE-OE1 3.48Å; K458-E462 PolarHBondContact O-N 3.36Å; Q459-E462 PolarHBondContact O-N 3.37Å; E462-T465 PolarHBondContact O-N 2.96Å; E462-N466 WeakPolarHBondContact O-CB 3.49Å; E462-N466 PolarHBondContact O-N 3.14Å; E462-N466 PolarHBondContact O-ND2 3.29Å
463E80Confident73.3Confident67 Ų6769.2 Ų69.231%0.31335%0.35SS..Hα-helixtrans-60.9-48174.6-173-175.8-154.700111.9C427 L429 Q459 T465 N466 L467C427-E463 PolarHBondContact SG-OE2 3.47Å; C427-E463 VanDerWaalsContact SG-OE2 3.34Å; L429-E463 WeakPolarHBondContact CB-OE2 3.34Å; L429-E463 HydrophobicContact CD1-CB 4.31Å; L429-E463 HydrophobicContact CD1-CG 4.31Å; L429-E463 VanDerWaalsContact CD1-OE2 3.29Å; L429-E463 WeakPolarHBondContact CD1-OE2 3.37Å; Q459-E463 PolarHBondContact O-N 3.14Å; E463-T465 PolarHBondContact O-N 3.38Å; E463-N466 PolarHBondContact O-N 3.01Å; E463-L467 HydrophobicContact CG-CD1 4.1Å; E463-L467 WeakPolarHBondContact O-CG 3.17Å; E463-L467 PolarHBondContact O-N 3.35Å; E463-L467 VanDerWaalsContact O-N 3.09Å
464K73.4Confident72.6Confident26 Ų2673.1 Ų73.111%0.11337%0.369CS..Hα-helixtrans-67-34.9179.5-81.6-159.8169.7-169.30113.2L390 N424 D426 A460 I461 L467 Q468L390-K464 HydrophobicContact CD2-CB 3.91Å; N424-K464 WeakPolarHBondContact OD1-CE 3.35Å; N424-K464 PolarHBondContact OD1-NZ 2.99Å; D426-K464 IonicContact OD1-NZ 3.5Å; D426-K464 PolarHBondContact OD1-NZ 3.12Å; D426-K464 IonicContact OD2-NZ 3.42Å; A460-K464 PolarHBondContact O-N 3.18Å; A460-K464 VanDerWaalsContact O-N 3.1Å; I461-K464 PolarHBondContact O-N 3.02Å; K464-L467 PolarHBondContact O-N 3.46Å; K464-Q468 PolarHBondContact O-N 3.22Å
465T72.4Confident72Confident46 Ų4676.6 Ų76.628%0.28239%0.385SS..Hα-helixtrans-68.4-42.1177.6-49.40000110.5I461 E462 E463 L467 Q468 D469I461-T465 WeakPolarHBondContact O-CB 3.29Å; I461-T465 PolarHBondContact O-N 2.99Å; I461-T465 PolarHBondContact O-OG1 3.46Å; E462-T465 PolarHBondContact O-N 2.96Å; E463-T465 PolarHBondContact O-N 3.38Å; T465-L467 VanDerWaalsContact C-N 3.31Å; T465-L467 PolarHBondContact O-N 3.3Å; T465-Q468 PolarHBondContact O-N 3.4Å; T465-D469 PolarHBondContact O-N 3.43Å
466N67.8Low71.3Confident109 Ų10975.6 Ų75.658%0.58338%0.382SS*.Hα-helixtrans-67.3-30.1177.4-69.2-22.4000113.1E462 E463 S470E462-N466 WeakPolarHBondContact O-CB 3.49Å; E462-N466 PolarHBondContact O-N 3.14Å; E462-N466 PolarHBondContact O-ND2 3.29Å; E463-N466 PolarHBondContact O-N 3.01Å; N466-S470 PolarHBondContact O-OG 2.65Å
467L59Low70.2Confident99 Ų9978.9 Ų78.952%0.51840%0.398SS..Hα-helixtrans-73-27.4173.7-75.3164000113.1E463 K464 T465 S470E463-L467 HydrophobicContact CG-CD1 4.1Å; E463-L467 WeakPolarHBondContact O-CG 3.17Å; E463-L467 PolarHBondContact O-N 3.35Å; E463-L467 VanDerWaalsContact O-N 3.09Å; K464-L467 PolarHBondContact O-N 3.46Å; T465-L467 VanDerWaalsContact C-N 3.31Å; T465-L467 PolarHBondContact O-N 3.3Å; L467-S470 WeakPolarHBondContact CA-OG 3.21Å; L467-S470 PolarHBondContact O-OG 2.79Å
468Q57.7Low69Low88 Ų8884.5 Ų84.541%0.41143%0.427SS..Hα-helixtrans-76.3-31.8173.4-74.3-172.3-57.600112.8S386 K464 T465 S470S386-Q468 VanDerWaalsContact CB-NE2 3.27Å; S386-Q468 VanDerWaalsContact OG-CD 3.31Å; S386-Q468 PolarHBondContact OG-NE2 3.33Å; K464-Q468 PolarHBondContact O-N 3.22Å; T465-Q468 PolarHBondContact O-N 3.4Å; Q468-S470 VanDerWaalsContact C-N 3.26Å; Q468-S470 PolarHBondContact O-N 3.33Å
469D52.6Low67.8Low133 Ų13383.7 Ų83.771%0.71143%0.428SS*.THydrogen-bonded Turntrans-79.7-6.3178.8-72.8-25.4000113.5T465T465-D469 PolarHBondContact O-N 3.43Å
470S47.6Very low66.5Low86 Ų8683.7 Ų83.760%0.60143%0.431SS*.THydrogen-bonded Turntrans-108.56.2-178.142.70000114.7N466 L467 Q468N466-S470 PolarHBondContact O-OG 2.65Å; L467-S470 WeakPolarHBondContact CA-OG 3.21Å; L467-S470 PolarHBondContact O-OG 2.79Å; Q468-S470 VanDerWaalsContact C-N 3.26Å; Q468-S470 PolarHBondContact O-N 3.33Å
471H40.9Very low64.9Low234 Ų23491.3 Ų91.3100%1.08347%0.47SS*.  trans-116.30177.5-95.7-47.4000114.3

Retrieved 471 of 471 residues in 464.6 ms (Link to these results)

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