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T cell receptor gamma variable 2

V region of the variable domain of T cell receptor (TR) gamma chain that participates in the antigen recognition1. Gamma-delta TRs recognize a variety of self and foreign non-peptide antigens frequently expressed at the epithelial boundaries between the host and external environment, including endogenous lipids presented by MH-like protein CD1D and phosphoantigens presented by butyrophilin-like molecule BTN3A1. Upon antigen recognition induces rapid, innate-like immune responses involved in pathogen clearance and tissue repair2,3. Binding of gamma-delta TR complex to antigen triggers phosphorylation of immunoreceptor tyrosine-based activation motifs (ITAMs) in the CD3 chains by the LCK and FYN kinases, allowing the recruitment, phosphorylation, and activation of ZAP70 that facilitates phosphorylation of the scaffolding proteins LCP2 and LAT. This lead to the formation of a supramolecular signalosome that recruits the phospholipase PLCG1, resulting in calcium mobilization and ERK activation, ultimately leading to T cell expansion and differentiation into effector cells4. Gamma-delta TRs are produced through somatic rearrangement of a limited repertoire of variable (V), diversity (D), and joining (J) genes. The potential diversity of gamma-delta TRs is conferred by the unique ability to rearrange (D) genes in tandem and to utilize all three reading frames. The combinatorial diversity is considerably increased by the sequence exonuclease trimming and random nucleotide (N) region additions which occur during the V-(D)-J rearrangements5.

AlphaFold DB , UniProt , Accession A0A075B6R0, Species HUMAN (Homo sapiens, Human), Gene TRGV2, Length 118 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
1M58.2Low62.1Low229 Ų229129.3 Ų129.3100%1.12868%0.679SS**  0-4.10-84.8158.8162.100114.8
2Q59.5Low61.9Low170 Ų170130.2 Ų130.279%0.79468%0.684SS**THydrogen-bonded Turntrans-71.7-26.2179.7-79.6171.3-54.800115.1A4 L5Q2-A4 VanDerWaalsContact C-N 3.27Å; Q2-A4 PolarHBondContact O-N 3.33Å; Q2-L5 PolarHBondContact O-N 3.45Å
3W55.8Low61.9Low223 Ų223126.6 Ų126.685%0.84568%0.676SS**Hα-helixtrans-64.5-28.1-179.6-65.299.5000113.9L5 A6 V7W3-L5 VanDerWaalsContact C-N 3.28Å; W3-L5 PolarHBondContact O-N 3.33Å; W3-A6 PolarHBondContact O-N 3.3Å; W3-V7 PolarHBondContact O-N 3.17Å
4A66.8Low61.7Low62 Ų62126.4 Ų126.451%0.51269%0.685SS.*Hα-helixtrans-63.5-35179.400000112.5Q2 L8Q2-A4 VanDerWaalsContact C-N 3.27Å; Q2-A4 PolarHBondContact O-N 3.33Å; A4-L8 PolarHBondContact O-N 3.29Å
5L63.4Low61.8Low116 Ų116122.9 Ų122.961%0.60768%0.681SS**Hα-helixtrans-69.2-40.4179.1-72.8163000111.8Q2 W3 V7 L8 L9Q2-L5 PolarHBondContact O-N 3.45Å; W3-L5 VanDerWaalsContact C-N 3.28Å; W3-L5 PolarHBondContact O-N 3.33Å; L5-V7 VanDerWaalsContact C-N 3.33Å; L5-V7 PolarHBondContact O-N 3.36Å; L5-L8 PolarHBondContact O-N 3.32Å; L5-L9 PolarHBondContact O-N 3.3Å; L5-L9 VanDerWaalsContact O-N 3.17Å
6A62.8Low62.2Low60 Ų60122.3 Ų122.350%0.49669%0.687SS.*Hα-helixtrans-64.9-37.2178.800000112.3W3 L9 A10W3-A6 PolarHBondContact O-N 3.3Å; A6-L9 PolarHBondContact O-N 3.27Å; A6-A10 PolarHBondContact O-N 3.43Å
7V66.5Low62.2Low85 Ų85125.6 Ų125.652%0.51570%0.696SS.*Hα-helixtrans-67.4-41.1176.6174.40000111.3W3 L5 L9 A10 F11W3-V7 PolarHBondContact O-N 3.17Å; L5-V7 VanDerWaalsContact C-N 3.33Å; L5-V7 PolarHBondContact O-N 3.36Å; V7-L9 VanDerWaalsContact C-N 3.32Å; V7-L9 PolarHBondContact O-N 3.43Å; V7-A10 PolarHBondContact O-N 3.48Å; V7-F11 HydrophobicContact CG1-CD2 4.25Å; V7-F11 HydrophobicContact CG1-CE2 3.67Å; V7-F11 WeakPolarHBondContact O-CD2 3.17Å
8L63.1Low61.6Low117 Ų117129.8 Ų129.861%0.61371%0.706SS**Hα-helixtrans-61.8-36.9175.8-89.8154.1000112.9A4 L5 F11A4-L8 PolarHBondContact O-N 3.29Å; L5-L8 PolarHBondContact O-N 3.32Å; L8-F11 PolarHBondContact O-N 3.23Å
9L62.1Low61.3Low125 Ų125127.5 Ų127.565%0.65470%0.701SS**Hα-helixtrans-68.8-31.2176.1-89.3142.2000113.2L5 A6 V7 F11 L12L5-L9 PolarHBondContact O-N 3.3Å; L5-L9 VanDerWaalsContact O-N 3.17Å; A6-L9 PolarHBondContact O-N 3.27Å; V7-L9 VanDerWaalsContact C-N 3.32Å; V7-L9 PolarHBondContact O-N 3.43Å; L9-F11 VanDerWaalsContact C-N 3.31Å; L9-F11 PolarHBondContact O-N 3.41Å; L9-L12 PolarHBondContact O-N 3.22Å
10A62.3Low60.7Low71 Ų71126.8 Ų126.859%0.58771%0.705SS**Hα-helixtrans-69.1-26.6178.400000113.4A6 V7 L12A6-A10 PolarHBondContact O-N 3.43Å; V7-A10 PolarHBondContact O-N 3.48Å; A10-L12 VanDerWaalsContact C-N 3.35Å
11F62.6Low60Low164 Ų164126.2 Ų126.272%0.71970%0.701SS**Hα-helixtrans-79.4-16.6175.8-71.4-69.9000113.6V7 L8 L9 S13V7-F11 HydrophobicContact CG1-CD2 4.25Å; V7-F11 HydrophobicContact CG1-CE2 3.67Å; V7-F11 WeakPolarHBondContact O-CD2 3.17Å; L8-F11 PolarHBondContact O-N 3.23Å; L9-F11 VanDerWaalsContact C-N 3.31Å; L9-F11 PolarHBondContact O-N 3.41Å; F11-S13 PolarHBondContact O-N 3.23Å
12L59.4Low59.8Low140 Ų140121.9 Ų121.973%0.73368%0.681SS**THydrogen-bonded Turntrans-86.235.1170.1-77.5158000111.5L9 A10 P14L9-L12 PolarHBondContact O-N 3.22Å; A10-L12 VanDerWaalsContact C-N 3.35Å; L12-P14 VanDerWaalsContact O-CD 3.31Å; L12-P14 WeakPolarHBondContact O-CD 3.31Å
13S62.1Low59.4Low84 Ų84121 Ų12159%0.58768%0.677SS**  trans-59.6123.916149.60000106.3F11 A15F11-S13 PolarHBondContact O-N 3.23Å; S13-A15 PolarHBondContact O-N 2.82Å
14P58.9Low59.4Low123 Ų123114 Ų11480%0.79967%0.674SS**  trans-64.593168.229.4000104.7L12 S16L12-P14 VanDerWaalsContact O-CD 3.31Å; L12-P14 WeakPolarHBondContact O-CD 3.31Å; P14-S16 PolarHBondContact O-N 2.94Å
15A63.7Low59.8Low75 Ų75118.4 Ų118.462%0.6268%0.677SS**  trans-51.9106.8158.400000103.5S13 Q17S13-A15 PolarHBondContact O-N 2.82Å; A15-Q17 PolarHBondContact O-N 2.68Å
16S67.7Low60.7Low112 Ų112117.3 Ų117.378%0.78368%0.675SS**  trans-59.987.6170.5168.40000105.1P14 K18P14-S16 PolarHBondContact O-N 2.94Å; S16-K18 VanDerWaalsContact C-N 3.31Å; S16-K18 PolarHBondContact O-N 3.19Å
17Q62.4Low61.8Low179 Ų179120.7 Ų120.784%0.83668%0.679SS**  trans-63.8102.3175.8-66.1-171.927.200104.9A15 S19A15-Q17 PolarHBondContact O-N 2.68Å; Q17-S19 PolarHBondContact O-N 2.71Å
18K52.4Low63Low201 Ų201122 Ų12287%0.87469%0.692SS**  trans-75.587.7176.5-153.4-175.7-167.4-175.50105.6S16 S20S16-K18 VanDerWaalsContact C-N 3.31Å; S16-K18 PolarHBondContact O-N 3.19Å; K18-S20 PolarHBondContact O-N 3.23Å
19S54.8Low64.4Low87 Ų87119.1 Ų119.161%0.60868%0.679SS**  trans-69.8115.4167.578.20000106.9Q17 N21Q17-S19 PolarHBondContact O-N 2.71Å; S19-N21 PolarHBondContact O-N 3.2Å
20S49.5Very low66Low113 Ų113120.2 Ų120.279%0.7968%0.684SS**  trans-70.5108.4160.446.60000105.5K18 L22K18-S20 PolarHBondContact O-N 3.23Å; S20-L22 PolarHBondContact O-N 2.85Å
21N47.1Very low67.6Low115 Ų115123.9 Ų123.962%0.61568%0.683SS**  trans-65.191172.3-88.1-83.5000107.9S19 E23 G24S19-N21 PolarHBondContact O-N 3.2Å; N21-E23 HydrophobicContact CB-CB 3.98Å; N21-E23 PolarHBondContact O-N 3.39Å; N21-G24 PolarHBondContact O-N 3.04Å
22L53.9Low69.2Low137 Ų137123.9 Ų123.972%0.71769%0.685SS**G310 helixtrans-52.8-29.4162-17169.4000109.7S20 G24 R25 T26S20-L22 PolarHBondContact O-N 2.85Å; L22-G24 PolarHBondContact O-N 3.2Å; L22-R25 PolarHBondContact O-N 3.06Å; L22-T26 PolarHBondContact O-N 3.17Å; L22-T26 PolarHBondContact O-OG1 3.21Å
23E51Low71Confident152 Ų152122.8 Ų122.871%0.7168%0.684SS**G310 helixtrans-39.6-40.7171.4-149.581.8171.600114N21 R25N21-E23 HydrophobicContact CB-CB 3.98Å; N21-E23 PolarHBondContact O-N 3.39Å; E23-R25 PolarHBondContact O-N 3.4Å
24G55.5Low72.7Confident75 Ų75120.9 Ų120.977%0.77368%0.678SS**G310 helixtrans-69.9-14.6-175.300000115N21 L22N21-G24 PolarHBondContact O-N 3.04Å; L22-G24 PolarHBondContact O-N 3.2Å
25R74.6Confident74.5Confident156 Ų156116.8 Ų116.859%0.58965%0.652SS**THydrogen-bonded Turntrans-117.5-13-177.2-157.7176.4-154.6-174.412.4113.7L22 E23 K27 D42L22-R25 PolarHBondContact O-N 3.06Å; E23-R25 PolarHBondContact O-N 3.4Å; R25-K27 PolarHBondContact O-N 3.09Å; R25-D42 PolarHBondContact NH1-O 3.36Å; R25-D42 VanDerWaalsContact NH2-CB 3.28Å; R25-D42 PolarHBondContact NH2-O 3.01Å
26T81.7Confident76.1Confident92 Ų92116.2 Ų116.256%0.56464%0.644SS**  trans-67.2126.8-178.9-570000110.4L22L22-T26 PolarHBondContact O-N 3.17Å; L22-T26 PolarHBondContact O-OG1 3.21Å
27K86.8Confident77.5Confident131 Ų131111.3 Ų111.357%0.5761%0.61SS**  trans-111.5134.2173.7-65.9177.3-173.9175.40108.7R25 T40R25-K27 PolarHBondContact O-N 3.09Å; K27-T40 PolarHBondContact NZ-OG1 3.36Å
28S91.8Very high79.1Confident114 Ų114106.4 Ų106.480%0.79759%0.587SS**  trans-92.6132.9171.159.50000110
29V93Very high81.2Confident56 Ų5698.4 Ų98.434%0.33955%0.554SS.*  trans-127.6112.2177.2-179.70000107.8R31 A37 I39V29-R31 HydrophobicContact CG1-CG 3.93Å; V29-A37 HydrophobicContact CG1-CB 4.08Å; V29-I39 HydrophobicContact CB-CD1 4.47Å; V29-I39 HydrophobicContact CG2-CD1 4.18Å
30I94.8Very high83.1Confident147 Ų14796.4 Ų96.475%0.75454%0.538SS*.  trans-107.5127.1176-59171.3000108.2
31R96.2Very high85.2Confident149 Ų14991.1 Ų91.156%0.56250%0.501SS*.  trans-143.9154.5-176.7-70.9-63.3-179.7-89.21.2110V29 A37 L103V29-R31 HydrophobicContact CG1-CG 3.93Å; R31-A37 HydrophobicContact CG-CB 4.13Å; R31-L103 HydrophobicContact CB-CD1 3.36Å; R31-L103 HydrophobicContact CG-CD1 4.13Å
32Q96.4Very high87.3Confident163 Ų16388.5 Ų88.576%0.76249%0.487SS*.  trans-79.4150.2178.4-67.4180-32.500110.8S35Q32-S35 PolarHBondContact N-OG 2.6Å; Q32-S35 VanDerWaalsContact O-CB 3.31Å; Q32-S35 WeakPolarHBondContact O-CB 3.22Å; Q32-S35 PolarHBondContact O-N 2.81Å; Q32-S35 VanDerWaalsContact O-N 3.11Å; Q32-S35 PolarHBondContact O-OG 2.8Å
33T97.2Very high89.1Confident117 Ų11783.2 Ų83.272%0.71846%0.459SS*.THydrogen-bonded Turntrans-49.9140.1168.4-54.70000110.7S35 L103T33-S35 PolarHBondContact O-N 3.25Å; T33-L103 CarbonylContact C-O 3.52Å; T33-L103 WeakPolarHBondContact CA-O 3.47Å; T33-L103 VanDerWaalsContact CG2-O 3.3Å; T33-L103 WeakPolarHBondContact CG2-O 3.41Å
34G97.6Very high90.9Very high44 Ų4479.2 Ų79.245%0.45445%0.452SS..THydrogen-bonded Turntrans81.3-15.9-177.300000115L103G34-L103 PolarHBondContact N-O 3.01Å
35S97.4Very high92.4Very high38 Ų3884.4 Ų84.427%0.26646%0.456SS..SBendtrans-81.7-170.5176.576.60000112.4Q32 T33 N102 L103Q32-S35 PolarHBondContact N-OG 2.6Å; Q32-S35 VanDerWaalsContact O-CB 3.31Å; Q32-S35 WeakPolarHBondContact O-CB 3.22Å; Q32-S35 PolarHBondContact O-N 2.81Å; Q32-S35 VanDerWaalsContact O-N 3.11Å; Q32-S35 PolarHBondContact O-OG 2.8Å; T33-S35 PolarHBondContact O-N 3.25Å; S35-N102 PolarHBondContact O-N 3.18Å; S35-N102 VanDerWaalsContact O-N 3.15Å; S35-L103 WeakPolarHBondContact O-CG 3.06Å; S35-L103 PolarHBondContact O-N 3.41Å
36S97.1Very high93Very high62 Ų6280.5 Ų80.543%0.43447%0.465SS..  trans-117.2147176.5-61.40000111.1L100S36-L100 CarbonylContact C-O 3.55Å; S36-L100 WeakPolarHBondContact CA-O 3.42Å; S36-L100 VanDerWaalsContact CB-O 3.23Å; S36-L100 WeakPolarHBondContact CB-O 3.32Å
37A96.7Very high93.4Very high10 Ų1077.7 Ų77.78%0.08345%0.449CS..EExtended strand (participates in β ladder)trans-120.2150.6172.200000110.5V29 R31 I99 L100 L103V29-A37 HydrophobicContact CG1-CB 4.08Å; R31-A37 HydrophobicContact CG-CB 4.13Å; A37-I99 WeakPolarHBondContact O-CA 3.49Å; A37-L100 HydrophobicContact CB-CB 4.42Å; A37-L100 PolarHBondContact N-O 3.27Å; A37-L100 PolarHBondContact O-N 2.79Å; A37-L103 HydrophobicContact CB-CD1 3.88Å; A37-L103 HydrophobicContact CB-CD2 4.16Å
38E96.2Very high93.5Very high75 Ų7573.4 Ų73.435%0.3543%0.432SS..EExtended strand (participates in β ladder)trans-122.7126.8175.9-174.7-176.1130.900109.2R97 L98 I99E38-R97 HydrophobicContact CG-CB 4.05Å; E38-R97 HydrophobicContact CG-CG 4.23Å; E38-R97 WeakPolarHBondContact OE1-CD 3.33Å; E38-R97 WeakPolarHBondContact OE1-CG 3.42Å; E38-R97 IonicContact OE1-CZ 3.43Å; E38-R97 VanDerWaalsContact OE1-CZ 3.24Å; E38-R97 IonicContact OE1-NE 2.75Å; E38-R97 PolarHBondContact OE1-NE 2.68Å; E38-R97 IonicContact OE1-NH1 3.2Å; E38-R97 PolarHBondContact OE1-NH1 3.17Å; E38-R97 IonicContact OE2-NH1 2.66Å; E38-R97 PolarHBondContact OE2-NH1 3.33Å; E38-L98 WeakPolarHBondContact CA-O 3.42Å; E38-I99 HydrophobicContact CG-CG1 4.38Å
39I95.7Very high93.5Very high33 Ų3368.2 Ų68.217%0.16940%0.397CS..EExtended strand (participates in β ladder)trans-112.8118175.7-49.3-59.3000108.2V29 W53 R97 L98 L100 Y111V29-I39 HydrophobicContact CB-CD1 4.47Å; V29-I39 HydrophobicContact CG2-CD1 4.18Å; I39-W53 HydrophobicContact CB-CZ3 4.42Å; I39-W53 HydrophobicContact CG2-CZ3 4.05Å; I39-R97 CarbonylContact O-C 3.56Å; I39-R97 VanDerWaalsContact O-CA 3.28Å; I39-R97 WeakPolarHBondContact O-CA 3.3Å; I39-L98 HydrophobicContact CB-CB 4.32Å; I39-L98 PolarHBondContact N-O 3.4Å; I39-L98 PolarHBondContact O-N 2.88Å; I39-L100 HydrophobicContact CG1-CD1 4.33Å; I39-Y111 HydrophobicContact CG1-CG 4.27Å
40T94.5Very high93.6Very high46 Ų4669.8 Ų69.828%0.28240%0.397SS..EExtended strand (participates in β ladder)trans-85.6140.4179.959.90000111.4K27 R97K27-T40 PolarHBondContact NZ-OG1 3.36Å; T40-R97 HydrophobicContact CG2-CG 4.37Å
41C93.4Very high93.6Very high1 Ų162.8 Ų62.81%0.00736%0.361CS..EExtended strand (participates in β ladder)trans-125.7117172.8175.60000109.6W53 L96 C113C41-W53 HydrophobicContact CB-CH2 3.38Å; C41-W53 HydrophobicContact CB-CZ2 3.73Å; C41-W53 HydrophobicContact CB-CZ3 4.22Å; C41-L96 HydrophobicContact CB-CB 4.33Å; C41-L96 PolarHBondContact N-O 3.02Å; C41-L96 PolarHBondContact O-N 3.47Å; C41-C113 HydrophobicContact CB-CB 3.6Å; C41-C113 WeakPolarHBondContact CB-SG 3.38Å; C41-C113 WeakPolarHBondContact SG-CB 3.27Å; C41-C113 CovalentContact SG-SG 2.01Å; C41-C113 PolarHBondContact SG-SG 2.87Å
42D92Very high93.6Very high60 Ų6056 Ų5632%0.32134%0.336SS..EExtended strand (participates in β ladder)trans-106.1123171.9-60.6-58.5000107.8R25 N94 N95R25-D42 PolarHBondContact NH1-O 3.36Å; R25-D42 VanDerWaalsContact NH2-CB 3.28Å; R25-D42 PolarHBondContact NH2-O 3.01Å; D42-N94 CarbonylContact C-O 3.57Å; D42-N94 WeakPolarHBondContact CA-O 3.35Å; D42-N95 PolarHBondContact OD1-ND2 3.15Å
43L90.2Very high93.6Very high27 Ų2748.3 Ų48.314%0.14130%0.3CS..PPolyproline II helixtrans-102.5155.6179.2-63.1174.4000110.4I51 N94 L96 T115L43-I51 HydrophobicContact CD1-CB 4.47Å; L43-I51 HydrophobicContact CD1-CD1 4.37Å; L43-I51 HydrophobicContact CD1-CG1 3.42Å; L43-I51 VanDerWaalsContact CD1-CG1 3.42Å; L43-I51 HydrophobicContact CD1-CG2 4.22Å; L43-N94 HydrophobicContact CB-CB 4.26Å; L43-N94 PolarHBondContact N-O 3.34Å; L43-L96 HydrophobicContact CD1-CD1 3.97Å; L43-T115 HydrophobicContact CD1-CG2 3.77Å; L43-T115 HydrophobicContact CD2-CG2 3.93Å; L43-T115 HydrophobicContact CG-CG2 4.49Å
44A89.7Confident93.6Very high68 Ų6844.9 Ų44.956%0.56227%0.274SS*.PPolyproline II helixtrans-67.7156.717300000109.9G46 S47A44-G46 PolarHBondContact O-N 2.94Å; A44-S47 PolarHBondContact N-OG 3.09Å; A44-S47 WeakPolarHBondContact O-CB 3.34Å; A44-S47 PolarHBondContact O-N 2.83Å; A44-S47 PolarHBondContact O-OG 2.88Å
45E87.5Confident93.6Very high184 Ų18443.1 Ų43.186%0.8625%0.254SS*.THydrogen-bonded Turntrans-62.2139.1170.2-170.8172.6-172.400110.2S47E45-S47 VanDerWaalsContact C-N 3.28Å; E45-S47 PolarHBondContact O-N 3.19Å
46G86.7Confident93.6Very high74 Ų7445 Ų4576%0.76326%0.258SS*.THydrogen-bonded Turntrans77.75.7-177.300000115.1A44A44-G46 PolarHBondContact O-N 2.94Å
47S89.4Confident93.6Very high33 Ų3343.2 Ų43.223%0.23124%0.243CC..  trans-57.1146.5172.3-68.30000112A44 E45A44-S47 PolarHBondContact N-OG 3.09Å; A44-S47 WeakPolarHBondContact O-CB 3.34Å; A44-S47 PolarHBondContact O-N 2.83Å; A44-S47 PolarHBondContact O-OG 2.88Å; E45-S47 VanDerWaalsContact C-N 3.28Å; E45-S47 PolarHBondContact O-N 3.19Å
48N90.6Very high93.5Very high41 Ų4151.4 Ų51.422%0.21928%0.28CS..  trans-55140.1175.6-177.4-42.3000110.7Y50 T115 W116N48-Y50 PolarHBondContact O-N 2.87Å; N48-Y50 VanDerWaalsContact O-N 3.13Å; N48-Y50 WeakPolarHBondContact OD1-CD2 3.36Å; N48-Y50 PolarHBondContact OD1-N 3.42Å; N48-T115 WeakPolarHBondContact O-CG2 3.47Å; N48-W116 WeakPolarHBondContact CB-O 3.31Å
49G91.1Very high93.6Very high5 Ų552 Ų525%0.05231%0.306CS..SBendtrans-69.90.4-179.200000116.2I51 S70 Y71G49-I51 WeakPolarHBondContact O-CD1 3.31Å; G49-S70 WeakPolarHBondContact CA-OG 2.94Å; G49-S70 WeakPolarHBondContact O-CB 3.46Å; G49-S70 PolarHBondContact O-N 2.75Å; G49-S70 PolarHBondContact O-OG 3.34Å; G49-Y71 PolarHBondContact N-OH 2.85Å
50Y94.3Very high93.6Very high89 Ų8955 Ų5535%0.34932%0.318SS..EExtended strand (participates in β ladder)trans-100.9105.8172.3-62.9-72.5000111N48 H52 Y67 Y68 D69 Y71N48-Y50 PolarHBondContact O-N 2.87Å; N48-Y50 VanDerWaalsContact O-N 3.13Å; N48-Y50 WeakPolarHBondContact OD1-CD2 3.36Å; N48-Y50 PolarHBondContact OD1-N 3.42Å; Y50-H52 PolarHBondContact O-CD2 2.96Å; Y50-Y67 AromaticContact CD1-CD2 3.97Å; Y50-Y67 HydrophobicContact CD1-CD2 3.97Å; Y50-Y67 AromaticContact CD1-CE2 3.84Å; Y50-Y67 HydrophobicContact CD1-CE2 3.84Å; Y50-Y67 HydrophobicContact CE1-CE2 4.22Å; Y50-Y68 WeakPolarHBondContact CA-O 2.89Å; Y50-D69 HydrophobicContact CD1-CB 4.02Å; Y50-D69 HydrophobicContact CE1-CB 3.8Å; Y50-D69 VanDerWaalsContact CE1-CG 3.46Å; Y50-Y71 HydrophobicContact CD2-CE2 4.34Å; Y50-Y71 HydrophobicContact CE2-CD2 4.22Å; Y50-Y71 AromaticContact CE2-CE2 3.97Å; Y50-Y71 HydrophobicContact CE2-CE2 3.97Å
51I95Very high93.7Very high0 Ų056.5 Ų56.50%034%0.335CS..EExtended strand (participates in β ladder)trans-102.7112.4-176.3-55.486000109.1L43 G49 Y67 Y68 L96 C113 T115L43-I51 HydrophobicContact CD1-CB 4.47Å; L43-I51 HydrophobicContact CD1-CD1 4.37Å; L43-I51 HydrophobicContact CD1-CG1 3.42Å; L43-I51 VanDerWaalsContact CD1-CG1 3.42Å; L43-I51 HydrophobicContact CD1-CG2 4.22Å; G49-I51 WeakPolarHBondContact O-CD1 3.31Å; I51-Y67 CarbonylContact O-C 3.56Å; I51-Y67 WeakPolarHBondContact O-CA 3.09Å; I51-Y68 HydrophobicContact CD1-CD1 3.94Å; I51-Y68 PolarHBondContact N-O 3.19Å; I51-Y68 PolarHBondContact O-N 3.11Å; I51-L96 HydrophobicContact CB-CD2 4.07Å; I51-L96 HydrophobicContact CD1-CD1 4.37Å; I51-L96 HydrophobicContact CD1-CD2 4.05Å; I51-L96 HydrophobicContact CG1-CD1 4.07Å; I51-L96 HydrophobicContact CG1-CD2 3.99Å; I51-L96 HydrophobicContact CG2-CD2 4.19Å; I51-C113 HydrophobicContact CG2-CB 4.22Å; I51-T115 HydrophobicContact CG1-CG2 4.13Å
52H96.1Very high93.8Very high7 Ų759.4 Ų59.43%0.03235%0.354CS..EExtended strand (participates in β ladder)trans-94.6135.8-178.9-59.2-84000110.8Y50 Y54 R64 Y67 C113 A114 W116Y50-H52 PolarHBondContact O-CD2 2.96Å; H52-Y54 HydrophobicContact CB-CD2 4.29Å; H52-Y54 HydrophobicContact CB-CE2 3.5Å; H52-Y54 VanDerWaalsContact CB-CE2 3.5Å; H52-R64 PolarHBondContact CE1-NH1 2.62Å; H52-R64 WeakPolarHBondContact ND1-CD 3.38Å; H52-R64 PolarHBondContact ND1-NH1 3.15Å; H52-Y67 VanDerWaalsContact ND1-CB 3.32Å; H52-Y67 WeakPolarHBondContact ND1-CB 3.23Å; H52-C113 CarbonylContact O-C 3.49Å; H52-C113 VanDerWaalsContact O-CA 3.23Å; H52-C113 WeakPolarHBondContact O-CA 3.34Å; H52-A114 PolarHBondContact N-O 2.76Å; H52-A114 PolarHBondContact O-N 3.02Å; H52-W116 AromaticContact CD2-NE1 3.83Å; H52-W116 AromaticContact NE2-CE2 3.77Å; H52-W116 AromaticContact NE2-NE1 3.7Å
53W97.5Very high94.1Very high1 Ų161.9 Ų61.90%0.00436%0.363CS..EExtended strand (participates in β ladder)trans-107.5132.6174.1-73102000110.7I39 C41 L65 Q66 L96 L98 C113I39-W53 HydrophobicContact CB-CZ3 4.42Å; I39-W53 HydrophobicContact CG2-CZ3 4.05Å; C41-W53 HydrophobicContact CB-CH2 3.38Å; C41-W53 HydrophobicContact CB-CZ2 3.73Å; C41-W53 HydrophobicContact CB-CZ3 4.22Å; W53-L65 PolarHBondContact O-N 3.05Å; W53-Q66 HydrophobicContact CB-CG 4.21Å; W53-Q66 HydrophobicContact CG-CG 4.5Å; W53-Q66 PolarHBondContact N-O 3.02Å; W53-L96 HydrophobicContact CZ2-CB 4.3Å; W53-L98 HydrophobicContact CB-CD1 4.47Å; W53-L98 HydrophobicContact CB-CD2 4.3Å; W53-L98 HydrophobicContact CD2-CB 3.85Å; W53-L98 HydrophobicContact CD2-CD1 4.06Å; W53-L98 HydrophobicContact CD2-CD2 3.97Å; W53-L98 HydrophobicContact CD2-CG 4.19Å; W53-L98 HydrophobicContact CE3-CB 3.87Å; W53-L98 HydrophobicContact CE3-CD2 3.86Å; W53-L98 HydrophobicContact CE3-CG 4.37Å; W53-L98 HydrophobicContact CG-CD1 3.92Å; W53-L98 HydrophobicContact CG-CD2 4.18Å; W53-L98 HydrophobicContact CG-CG 4.47Å; W53-L98 HydrophobicContact CH2-CB 3.69Å; W53-L98 HydrophobicContact CZ2-CB 3.73Å; W53-L98 HydrophobicContact CZ3-CB 3.79Å; W53-L98 HydrophobicContact CZ3-CD2 4.45Å; W53-C113 HydrophobicContact CD2-CB 4.19Å; W53-C113 HydrophobicContact CE3-CB 3.86Å; W53-C113 HydrophobicContact CH2-CB 4.03Å; W53-C113 HydrophobicContact CZ2-CB 4.28Å; W53-C113 HydrophobicContact CZ3-CB 3.78Å
54Y97.2Very high94.4Very high45 Ų4564.2 Ų64.218%0.17637%0.37CS..EExtended strand (participates in β ladder)trans-123.5148.5179.4-66.2-95.7000111.6H52 Q63 R64 Y111 Y112 A114H52-Y54 HydrophobicContact CB-CD2 4.29Å; H52-Y54 HydrophobicContact CB-CE2 3.5Å; H52-Y54 VanDerWaalsContact CB-CE2 3.5Å; Y54-Q63 CarbonylContact C-O 3.54Å; Y54-Q63 VanDerWaalsContact CA-O 3.25Å; Y54-Q63 WeakPolarHBondContact CA-O 3.14Å; Y54-R64 HydrophobicContact CD1-CB 3.87Å; Y54-R64 HydrophobicContact CD1-CG 4.37Å; Y54-R64 HydrophobicContact CE1-CB 3.55Å; Y54-R64 HydrophobicContact CE1-CG 3.97Å; Y54-R64 HydrophobicContact CE2-CG 4.49Å; Y54-Y111 WeakPolarHBondContact O-CA 3.43Å; Y54-Y112 VanDerWaalsContact CB-CZ 3.41Å; Y54-Y112 HydrophobicContact CD2-CD2 4.11Å; Y54-Y112 AromaticContact CD2-CE2 3.59Å; Y54-Y112 HydrophobicContact CD2-CE2 3.59Å; Y54-Y112 HydrophobicContact CE2-CE2 4.41Å; Y54-Y112 HydrophobicContact CG-CD2 4.39Å; Y54-Y112 AromaticContact CG-CE2 3.67Å; Y54-Y112 HydrophobicContact CG-CE2 3.67Å; Y54-Y112 AromaticContact CG-CZ 3.76Å; Y54-Y112 PolarHBondContact N-O 3.28Å; Y54-Y112 PolarHBondContact O-N 2.99Å; Y54-A114 HydrophobicContact CE2-CB 4.29Å
55L97.4Very high94.8Very high7 Ų761.3 Ų61.34%0.03735%0.345CS..EExtended strand (participates in β ladder)trans-114.3126.9164.9170.257.4000108.8Q57 Q63 L65 Y111L55-Q57 HydrophobicContact CD1-CG 3.93Å; L55-Q57 HydrophobicContact CD2-CG 4.02Å; L55-Q57 HydrophobicContact CG-CG 3.83Å; L55-Q63 PolarHBondContact N-O 2.85Å; L55-Q63 PolarHBondContact O-N 3.01Å; L55-L65 HydrophobicContact CB-CD1 4.02Å; L55-L65 HydrophobicContact CB-CD2 4.05Å; L55-L65 HydrophobicContact CB-CG 4.17Å; L55-Y111 HydrophobicContact CB-CD1 4.36Å; L55-Y111 HydrophobicContact CB-CE1 4.02Å; L55-Y111 HydrophobicContact CD1-CD1 4.4Å; L55-Y111 HydrophobicContact CD1-CD2 4.21Å; L55-Y111 HydrophobicContact CD1-CE1 3.95Å; L55-Y111 HydrophobicContact CD1-CE2 3.73Å; L55-Y111 HydrophobicContact CD2-CE1 4.42Å; L55-Y111 HydrophobicContact CG-CE1 4.34Å
56H97.2Very high95.3Very high77 Ų7752.5 Ų52.536%0.35630%0.304SS..EExtended strand (participates in β ladder)trans-115.9113.8170-179-163.1000109.2K60 P62 G109 V110 Y112H56-K60 PolarHBondContact CD2-O 2.85Å; H56-K60 PolarHBondContact NE2-O 2.86Å; H56-P62 HydrophobicContact CB-CB 4.3Å; H56-P62 HydrophobicContact CB-CG 4.23Å; H56-G109 WeakPolarHBondContact O-CA 3.16Å; H56-V110 PolarHBondContact N-O 2.81Å; H56-V110 PolarHBondContact O-N 2.86Å; H56-Y112 HydrophobicContact CB-CE1 4.18Å
57Q96.9Very high95.7Very high24 Ų2451.8 Ų51.811%0.11228%0.279CS..  trans-101.4150.3174.4-53.1-173-76.400109.5L55 G59 K60 N106 F108L55-Q57 HydrophobicContact CD1-CG 3.93Å; L55-Q57 HydrophobicContact CD2-CG 4.02Å; L55-Q57 HydrophobicContact CG-CG 3.83Å; Q57-G59 PolarHBondContact O-N 2.73Å; Q57-K60 HydrophobicContact CB-CB 4.44Å; Q57-K60 HydrophobicContact CB-CD 4.13Å; Q57-K60 HydrophobicContact CB-CG 4.41Å; Q57-K60 PolarHBondContact O-N 2.66Å; Q57-N106 PolarHBondContact NE2-O 2.92Å; Q57-F108 PolarHBondContact NE2-O 2.77Å; Q57-F108 VanDerWaalsContact NE2-O 3.09Å
58E95.2Very high96Very high183 Ų18351.5 Ų51.586%0.85527%0.273SS*.THydrogen-bonded Turntrans-53.9132.8178.5-170.8174.7-17500111.5K60E58-K60 PolarHBondContact O-N 3.2Å
59G97Very high96.2Very high87 Ų8750.1 Ų50.190%0.89727%0.265SS*.THydrogen-bonded Turntrans72.82.8-178.500000115.6Q57Q57-G59 PolarHBondContact O-N 2.73Å
60K96.8Very high96.3Very high96 Ų9650.5 Ų50.542%0.41727%0.267SS..SBendtrans-116.4152177.9-57.9-172.5-167.7169.60111.2H56 Q57 E58H56-K60 PolarHBondContact CD2-O 2.85Å; H56-K60 PolarHBondContact NE2-O 2.86Å; Q57-K60 HydrophobicContact CB-CB 4.44Å; Q57-K60 HydrophobicContact CB-CD 4.13Å; Q57-K60 HydrophobicContact CB-CG 4.41Å; Q57-K60 PolarHBondContact O-N 2.66Å; E58-K60 PolarHBondContact O-N 3.2Å
61A96.6Very high96.2Very high77 Ų7752.6 Ų52.664%0.63628%0.276SS*.  trans-67.5150.2167.200000110.5Q63A61-Q63 PolarHBondContact O-N 2.74Å
62P96.4Very high96.2Very high62 Ų6258 Ų5840%0.40331%0.305SS..  trans-58.8134.2174.5-22.832.5000112.5H56 Y112H56-P62 HydrophobicContact CB-CB 4.3Å; H56-P62 HydrophobicContact CB-CG 4.23Å; P62-Y112 HydrophobicContact CB-CE1 4.35Å; P62-Y112 WeakPolarHBondContact CB-OH 3.05Å
63Q97Very high96Very high112 Ų11262 Ų6252%0.52333%0.333SS..EExtended strand (participates in β ladder)trans-110.5129.6177.9-64.8-175.7-13.100109.8Y54 L55 A61Y54-Q63 CarbonylContact C-O 3.54Å; Y54-Q63 VanDerWaalsContact CA-O 3.25Å; Y54-Q63 WeakPolarHBondContact CA-O 3.14Å; L55-Q63 PolarHBondContact N-O 2.85Å; L55-Q63 PolarHBondContact O-N 3.01Å; A61-Q63 PolarHBondContact O-N 2.74Å
64R97.3Very high95.9Very high76 Ų7667.8 Ų67.829%0.28736%0.358SS..EExtended strand (participates in β ladder)trans-72.1133.5169.8-166162.868.91781.1108.4H52 Y54 E78H52-R64 PolarHBondContact CE1-NH1 2.62Å; H52-R64 WeakPolarHBondContact ND1-CD 3.38Å; H52-R64 PolarHBondContact ND1-NH1 3.15Å; Y54-R64 HydrophobicContact CD1-CB 3.87Å; Y54-R64 HydrophobicContact CD1-CG 4.37Å; Y54-R64 HydrophobicContact CE1-CB 3.55Å; Y54-R64 HydrophobicContact CE1-CG 3.97Å; Y54-R64 HydrophobicContact CE2-CG 4.49Å; R64-E78 HydrophobicContact CB-CG 4.01Å; R64-E78 HydrophobicContact CG-CG 4.04Å; R64-E78 IonicContact CZ-OE1 3.04Å; R64-E78 IonicContact NE-OE1 2.68Å; R64-E78 PolarHBondContact NE-OE1 2.76Å; R64-E78 IonicContact NH2-OE1 2.66Å; R64-E78 PolarHBondContact NH2-OE1 2.91Å; R64-E78 WeakPolarHBondContact O-CG 3.27Å
65L97.7Very high95.9Very high7 Ų768.4 Ų68.44%0.03737%0.366CS..EExtended strand (participates in β ladder)trans-96.2-46.1179.4-60.6174.7000111W53 L55 E78 V81 Y86 L98 Y111W53-L65 PolarHBondContact O-N 3.05Å; L55-L65 HydrophobicContact CB-CD1 4.02Å; L55-L65 HydrophobicContact CB-CD2 4.05Å; L55-L65 HydrophobicContact CB-CG 4.17Å; L65-E78 WeakPolarHBondContact O-CB 3.46Å; L65-E78 PolarHBondContact O-N 2.01Å; L65-V81 HydrophobicContact CD2-CG2 4.43Å; L65-V81 WeakPolarHBondContact O-CG2 3.39Å; L65-Y86 HydrophobicContact CB-CE2 4.47Å; L65-Y86 HydrophobicContact CD1-CD1 4.14Å; L65-Y86 HydrophobicContact CD1-CD2 4.48Å; L65-Y86 HydrophobicContact CD1-CE1 3.74Å; L65-Y86 HydrophobicContact CD1-CE2 4.11Å; L65-Y86 HydrophobicContact CD1-CG 4.5Å; L65-Y86 HydrophobicContact CD2-CE2 3.89Å; L65-Y86 HydrophobicContact CG-CE2 4.39Å; L65-L98 HydrophobicContact CD1-CD2 4.31Å; L65-Y111 HydrophobicContact CD1-CD1 4.07Å; L65-Y111 HydrophobicContact CD1-CE1 3.77Å
66Q97.4Very high95.9Very high0 Ų069.9 Ų69.90%038%0.375CS..EExtended strand (participates in β ladder)trans-165.2168.4-177.462.6-170.435.300109.6W53 V75 V76 L77 T88W53-Q66 HydrophobicContact CB-CG 4.21Å; W53-Q66 HydrophobicContact CG-CG 4.5Å; W53-Q66 PolarHBondContact N-O 3.02Å; Q66-V75 HydrophobicContact CB-CG1 4.13Å; Q66-V75 HydrophobicContact CG-CG1 4.28Å; Q66-V76 CarbonylContact C-O 3.53Å; Q66-V76 WeakPolarHBondContact CA-O 3.35Å; Q66-V76 VanDerWaalsContact CB-O 3.26Å; Q66-V76 WeakPolarHBondContact CB-O 3.01Å; Q66-L77 HydrophobicContact CB-CD2 3.93Å; Q66-T88 PolarHBondContact NE2-OG1 3.13Å
67Y96.2Very high95.9Very high59 Ų5969.3 Ų69.323%0.23138%0.375CS..EExtended strand (participates in β ladder)trans-127151.7159.574.7-93000111.5Y50 I51 H52 D69 V75 V76Y50-Y67 AromaticContact CD1-CD2 3.97Å; Y50-Y67 HydrophobicContact CD1-CD2 3.97Å; Y50-Y67 AromaticContact CD1-CE2 3.84Å; Y50-Y67 HydrophobicContact CD1-CE2 3.84Å; Y50-Y67 HydrophobicContact CE1-CE2 4.22Å; I51-Y67 CarbonylContact O-C 3.56Å; I51-Y67 WeakPolarHBondContact O-CA 3.09Å; H52-Y67 VanDerWaalsContact ND1-CB 3.32Å; H52-Y67 WeakPolarHBondContact ND1-CB 3.23Å; Y67-D69 HydrophobicContact CE2-CB 4.23Å; Y67-V75 WeakPolarHBondContact O-CA 3.44Å; Y67-V76 HydrophobicContact CD1-CB 3.84Å; Y67-V76 HydrophobicContact CD1-CG1 4.19Å; Y67-V76 HydrophobicContact CD2-CB 4.47Å; Y67-V76 HydrophobicContact CE1-CB 3.4Å; Y67-V76 HydrophobicContact CE1-CG1 3.49Å; Y67-V76 VanDerWaalsContact CE1-CG1 3.49Å; Y67-V76 HydrophobicContact CE1-CG2 3.98Å; Y67-V76 HydrophobicContact CE2-CB 4.07Å; Y67-V76 HydrophobicContact CE2-CG2 3.9Å; Y67-V76 HydrophobicContact CG-CB 4.37Å; Y67-V76 PolarHBondContact N-O 3.38Å; Y67-V76 PolarHBondContact O-N 2.93Å; Y67-V76 WeakPolarHBondContact OH-CG2 3.46Å
68Y95.6Very high95.9Very high27 Ų2770.7 Ų70.711%0.10638%0.381CS..EExtended strand (participates in β ladder)trans-105.8119.2172.1176.9-107.1000109.1Y50 I51 K74 V75 T88 A90 L96Y50-Y68 WeakPolarHBondContact CA-O 2.89Å; I51-Y68 HydrophobicContact CD1-CD1 3.94Å; I51-Y68 PolarHBondContact N-O 3.19Å; I51-Y68 PolarHBondContact O-N 3.11Å; Y68-K74 WeakPolarHBondContact CA-O 3.35Å; Y68-V75 HydrophobicContact CD2-CG2 3.93Å; Y68-T88 HydrophobicContact CD1-CG2 4.46Å; Y68-T88 HydrophobicContact CD2-CG2 4.02Å; Y68-T88 HydrophobicContact CG-CG2 3.91Å; Y68-A90 HydrophobicContact CE1-CB 3.85Å; Y68-L96 HydrophobicContact CD1-CD2 3.39Å; Y68-L96 HydrophobicContact CE1-CD2 3.91Å; Y68-L96 HydrophobicContact CG-CD2 4.1Å
69D95Very high95.9Very high12 Ų1267.9 Ų67.96%0.06438%0.382CS..EExtended strand (participates in β ladder)trans-84.9103.4168.3178.1-13.1000108.3Y50 Y67 Y71 N72 S73 K74Y50-D69 HydrophobicContact CD1-CB 4.02Å; Y50-D69 HydrophobicContact CE1-CB 3.8Å; Y50-D69 VanDerWaalsContact CE1-CG 3.46Å; Y67-D69 HydrophobicContact CE2-CB 4.23Å; D69-Y71 VanDerWaalsContact C-N 3.29Å; D69-Y71 PolarHBondContact O-N 3.25Å; D69-Y71 WeakPolarHBondContact OD1-CA 3.23Å; D69-Y71 VanDerWaalsContact OD1-CB 3.31Å; D69-Y71 WeakPolarHBondContact OD1-CB 3.28Å; D69-Y71 PolarHBondContact OD1-N 2.78Å; D69-N72 PolarHBondContact OD1-N 2.9Å; D69-N72 PolarHBondContact OD2-ND2 3.43Å; D69-S73 CarbonylContact O-C 3.59Å; D69-S73 VanDerWaalsContact O-CA 3.27Å; D69-S73 WeakPolarHBondContact O-CA 3.25Å; D69-S73 PolarHBondContact O-N 2.9Å; D69-K74 HydrophobicContact CB-CB 4.38Å; D69-K74 PolarHBondContact N-O 3Å; D69-K74 PolarHBondContact O-N 3.4Å
70S92.5Very high95.8Very high13 Ų1367.9 Ų67.99%0.09138%0.381CS..THydrogen-bonded Turntrans-73.1-18.5178.867.60000113.8G49G49-S70 WeakPolarHBondContact CA-OG 2.94Å; G49-S70 WeakPolarHBondContact O-CB 3.46Å; G49-S70 PolarHBondContact O-N 2.75Å; G49-S70 PolarHBondContact O-OG 3.34Å
71Y92.4Very high95.7Very high133 Ų13364.6 Ų64.652%0.52237%0.369SS..THydrogen-bonded Turntrans-72.6-38.8176.4-56.3-74.8000110.7G49 Y50 D69G49-Y71 PolarHBondContact N-OH 2.85Å; Y50-Y71 HydrophobicContact CD2-CE2 4.34Å; Y50-Y71 HydrophobicContact CE2-CD2 4.22Å; Y50-Y71 AromaticContact CE2-CE2 3.97Å; Y50-Y71 HydrophobicContact CE2-CE2 3.97Å; D69-Y71 VanDerWaalsContact C-N 3.29Å; D69-Y71 PolarHBondContact O-N 3.25Å; D69-Y71 WeakPolarHBondContact OD1-CA 3.23Å; D69-Y71 VanDerWaalsContact OD1-CB 3.31Å; D69-Y71 WeakPolarHBondContact OD1-CB 3.28Å; D69-Y71 PolarHBondContact OD1-N 2.78Å
72N94.6Very high95.5Very high114 Ų11464.9 Ų64.961%0.6137%0.367SS*.THydrogen-bonded Turntrans-105.92.7-179.1-63-64.8000114D69 K74D69-N72 PolarHBondContact OD1-N 2.9Å; D69-N72 PolarHBondContact OD2-ND2 3.43Å; N72-K74 HydrophobicContact CB-CB 4.3Å; N72-K74 PolarHBondContact O-N 3.14Å
73S92.7Very high95.4Very high89 Ų8967.3 Ų67.362%0.62238%0.383SS*.THydrogen-bonded Turntrans5142.3-174.3-63.70000113.3D69D69-S73 CarbonylContact O-C 3.59Å; D69-S73 VanDerWaalsContact O-CA 3.27Å; D69-S73 WeakPolarHBondContact O-CA 3.25Å; D69-S73 PolarHBondContact O-N 2.9Å
74K95.3Very high95.2Very high124 Ų12463.8 Ų63.854%0.53938%0.376SS..EExtended strand (participates in β ladder)trans-118.5134.7-170.9-175.8-179.5178.2-175.50111.4Y68 D69 N72 V76Y68-K74 WeakPolarHBondContact CA-O 3.35Å; D69-K74 HydrophobicContact CB-CB 4.38Å; D69-K74 PolarHBondContact N-O 3Å; D69-K74 PolarHBondContact O-N 3.4Å; N72-K74 HydrophobicContact CB-CB 4.3Å; N72-K74 PolarHBondContact O-N 3.14Å; K74-V76 HydrophobicContact CD-CG2 4.32Å; K74-V76 HydrophobicContact CG-CG2 4.32Å
75V96.2Very high95.1Very high57 Ų5761.7 Ų61.735%0.34537%0.369SS..EExtended strand (participates in β ladder)trans-94.3132.7167.9178.80000109.2Q66 Y67 Y68 L77Q66-V75 HydrophobicContact CB-CG1 4.13Å; Q66-V75 HydrophobicContact CG-CG1 4.28Å; Y67-V75 WeakPolarHBondContact O-CA 3.44Å; Y68-V75 HydrophobicContact CD2-CG2 3.93Å; V75-L77 HydrophobicContact CG1-CD2 4.13Å
76V97Very high95Very high38 Ų3862.6 Ų62.623%0.2337%0.372CS..EExtended strand (participates in β ladder)trans-118.6114.4172.9-179.70000108.3Q66 Y67 K74Q66-V76 CarbonylContact C-O 3.53Å; Q66-V76 WeakPolarHBondContact CA-O 3.35Å; Q66-V76 VanDerWaalsContact CB-O 3.26Å; Q66-V76 WeakPolarHBondContact CB-O 3.01Å; Y67-V76 HydrophobicContact CD1-CB 3.84Å; Y67-V76 HydrophobicContact CD1-CG1 4.19Å; Y67-V76 HydrophobicContact CD2-CB 4.47Å; Y67-V76 HydrophobicContact CE1-CB 3.4Å; Y67-V76 HydrophobicContact CE1-CG1 3.49Å; Y67-V76 VanDerWaalsContact CE1-CG1 3.49Å; Y67-V76 HydrophobicContact CE1-CG2 3.98Å; Y67-V76 HydrophobicContact CE2-CB 4.07Å; Y67-V76 HydrophobicContact CE2-CG2 3.9Å; Y67-V76 HydrophobicContact CG-CB 4.37Å; Y67-V76 PolarHBondContact N-O 3.38Å; Y67-V76 PolarHBondContact O-N 2.93Å; Y67-V76 WeakPolarHBondContact OH-CG2 3.46Å; K74-V76 HydrophobicContact CD-CG2 4.32Å; K74-V76 HydrophobicContact CG-CG2 4.32Å
77L97.5Very high94.9Very high65 Ų6567.1 Ų67.134%0.3439%0.39SS..EExtended strand (participates in β ladder)trans-78.8144.1178.8-61.8179.3000110.6Q66 V75 V81 P83Q66-L77 HydrophobicContact CB-CD2 3.93Å; V75-L77 HydrophobicContact CG1-CD2 4.13Å; L77-V81 HydrophobicContact CD2-CG1 4.3Å; L77-P83 HydrophobicContact CD1-CB 4.26Å; L77-P83 HydrophobicContact CD1-CG 4.32Å
78E97.3Very high94.9Very high54 Ų5465.6 Ų65.625%0.25239%0.387SS..PPolyproline II helixtrans-73.7154.2168.3-72.8-62.5157.500111.9R64 L65 G80 V81R64-E78 HydrophobicContact CB-CG 4.01Å; R64-E78 HydrophobicContact CG-CG 4.04Å; R64-E78 IonicContact CZ-OE1 3.04Å; R64-E78 IonicContact NE-OE1 2.68Å; R64-E78 PolarHBondContact NE-OE1 2.76Å; R64-E78 IonicContact NH2-OE1 2.66Å; R64-E78 PolarHBondContact NH2-OE1 2.91Å; R64-E78 WeakPolarHBondContact O-CG 3.27Å; L65-E78 WeakPolarHBondContact O-CB 3.46Å; L65-E78 PolarHBondContact O-N 2.01Å; E78-G80 PolarHBondContact O-N 2.78Å; E78-V81 HydrophobicContact CB-CG2 4.09Å; E78-V81 WeakPolarHBondContact O-CB 3.28Å; E78-V81 PolarHBondContact O-N 2.92Å; E78-V81 VanDerWaalsContact O-N 3.13Å
79S95.7Very high94.8Very high124 Ų12470.5 Ų70.587%0.86741%0.406SS*.THydrogen-bonded Turntrans-56.8131.4174.6-66.20000111V81S79-V81 VanDerWaalsContact C-N 3.33Å
80G93.8Very high94.7Very high86 Ų8671.4 Ų71.489%0.88742%0.416SS*.THydrogen-bonded Turntrans87-7.5-179.300000114.9E78E78-G80 PolarHBondContact O-N 2.78Å
81V94.7Very high94.6Very high27 Ų2773.9 Ų73.916%0.16443%0.433CS..PPolyproline II helixtrans-81.3124.4173.8175.30000110.3L65 L77 E78 S79 P83 Y86L65-V81 HydrophobicContact CD2-CG2 4.43Å; L65-V81 WeakPolarHBondContact O-CG2 3.39Å; L77-V81 HydrophobicContact CD2-CG1 4.3Å; E78-V81 HydrophobicContact CB-CG2 4.09Å; E78-V81 WeakPolarHBondContact O-CB 3.28Å; E78-V81 PolarHBondContact O-N 2.92Å; E78-V81 VanDerWaalsContact O-N 3.13Å; S79-V81 VanDerWaalsContact C-N 3.33Å; V81-P83 WeakPolarHBondContact O-CD 3.41Å; V81-Y86 HydrophobicContact CG1-CD2 3.65Å; V81-Y86 HydrophobicContact CG1-CE2 3.81Å
82S93.5Very high94.3Very high83 Ų8371.3 Ų71.358%0.5843%0.431SS*.PPolyproline II helixtrans-64.1124.2-179.4-53.30000111.6G84 K85S82-G84 PolarHBondContact O-N 2.91Å; S82-K85 VanDerWaalsContact O-CB 3.28Å; S82-K85 WeakPolarHBondContact O-CB 3.37Å; S82-K85 PolarHBondContact O-N 2.8Å; S82-K85 VanDerWaalsContact O-N 3.14Å
83P93.6Very high93.7Very high114 Ų11474.2 Ų74.274%0.7443%0.434SS*.THydrogen-bonded Turntrans-56137173.3-25.134.7000111.4L77 V81 K85L77-P83 HydrophobicContact CD1-CB 4.26Å; L77-P83 HydrophobicContact CD1-CG 4.32Å; V81-P83 WeakPolarHBondContact O-CD 3.41Å; P83-K85 VanDerWaalsContact C-N 3.27Å; P83-K85 PolarHBondContact O-N 2.99Å
84G92.7Very high93.4Very high37 Ų3772.6 Ų72.638%0.38142%0.418SS..THydrogen-bonded Turntrans77.72.9-178.600000115.3S82 Y87S82-G84 PolarHBondContact O-N 2.91Å; G84-Y87 WeakPolarHBondContact CA-OH 3.38Å; G84-Y87 WeakPolarHBondContact O-CE2 2.95Å; G84-Y87 PolarHBondContact O-OH 2.83Å
85K94.9Very high93.2Very high33 Ų3368.5 Ų68.514%0.14340%0.402CS..SBendtrans-72.6-42.4171.2-178.956.7-178.8175.20112.3S82 P83 R101 N102 D107S82-K85 VanDerWaalsContact O-CB 3.28Å; S82-K85 WeakPolarHBondContact O-CB 3.37Å; S82-K85 PolarHBondContact O-N 2.8Å; S82-K85 VanDerWaalsContact O-N 3.14Å; P83-K85 VanDerWaalsContact C-N 3.27Å; P83-K85 PolarHBondContact O-N 2.99Å; K85-R101 PolarHBondContact NZ-O 2.89Å; K85-R101 PolarHBondContact O-N 3.25Å; K85-N102 PolarHBondContact NZ-O 3.23Å; K85-D107 VanDerWaalsContact CE-CG 3.47Å; K85-D107 WeakPolarHBondContact CE-OD1 3.49Å; K85-D107 WeakPolarHBondContact CE-OD2 3.45Å; K85-D107 VanDerWaalsContact NZ-CG 3.3Å; K85-D107 IonicContact NZ-OD1 3.25Å; K85-D107 PolarHBondContact NZ-OD1 3.34Å; K85-D107 IonicContact NZ-OD2 3.24Å; K85-D107 PolarHBondContact NZ-OD2 2.88Å
86Y96.4Very high93.1Very high25 Ų2565.8 Ų65.810%0.09839%0.385CS..EExtended strand (participates in β ladder)trans-121.8134.9-175-56.2-75.6000110.3L65 V81 L98 L100 Y111L65-Y86 HydrophobicContact CB-CE2 4.47Å; L65-Y86 HydrophobicContact CD1-CD1 4.14Å; L65-Y86 HydrophobicContact CD1-CD2 4.48Å; L65-Y86 HydrophobicContact CD1-CE1 3.74Å; L65-Y86 HydrophobicContact CD1-CE2 4.11Å; L65-Y86 HydrophobicContact CD1-CG 4.5Å; L65-Y86 HydrophobicContact CD2-CE2 3.89Å; L65-Y86 HydrophobicContact CG-CE2 4.39Å; V81-Y86 HydrophobicContact CG1-CD2 3.65Å; V81-Y86 HydrophobicContact CG1-CE2 3.81Å; Y86-L98 HydrophobicContact CD1-CD2 4.12Å; Y86-L98 HydrophobicContact CD1-CG 4.38Å; Y86-L100 HydrophobicContact CD1-CD1 3.96Å; Y86-L100 HydrophobicContact CD1-CD2 4.49Å; Y86-L100 HydrophobicContact CD1-CG 3.74Å; Y86-L100 HydrophobicContact CE1-CD1 4.17Å; Y86-L100 HydrophobicContact CE1-CD2 3.96Å; Y86-L100 HydrophobicContact CE1-CG 3.7Å; Y86-Y111 AromaticContact CE1-CE1 3.97Å; Y86-Y111 HydrophobicContact CE1-CE1 3.97Å
87Y95.9Very high93.1Very high95 Ų9568.1 Ų68.137%0.37339%0.39SS..EExtended strand (participates in β ladder)trans-123.5128.1175.3-63-93.5000109.6G84 I99 R101G84-Y87 WeakPolarHBondContact CA-OH 3.38Å; G84-Y87 WeakPolarHBondContact O-CE2 2.95Å; G84-Y87 PolarHBondContact O-OH 2.83Å; Y87-I99 PolarHBondContact N-O 3.43Å; Y87-I99 PolarHBondContact O-N 2.86Å; Y87-R101 HydrophobicContact CD2-CG 3.98Å; Y87-R101 HydrophobicContact CE2-CB 4.47Å; Y87-R101 VanDerWaalsContact CE2-CD 3.42Å; Y87-R101 HydrophobicContact CE2-CG 3.82Å
88T95.3Very high93Very high28 Ų2865 Ų6517%0.17237%0.374CS..EExtended strand (participates in β ladder)trans-89.2128.3169.3-61.80000109.3Q66 Y68 L96 R97Q66-T88 PolarHBondContact NE2-OG1 3.13Å; Y68-T88 HydrophobicContact CD1-CG2 4.46Å; Y68-T88 HydrophobicContact CD2-CG2 4.02Å; Y68-T88 HydrophobicContact CG-CG2 3.91Å; T88-L96 HydrophobicContact CG2-CD2 3.98Å; T88-R97 CarbonylContact C-O 3.59Å; T88-R97 WeakPolarHBondContact CA-O 3.47Å
89Y95Very high93Very high129 Ų12964.5 Ų64.551%0.50637%0.372SS..EExtended strand (participates in β ladder)trans-113.4122.9164176.3-92.3000109.1L96 R97Y89-L96 CarbonylContact O-C 3.48Å; Y89-L96 WeakPolarHBondContact O-CA 3.43Å; Y89-R97 PolarHBondContact N-O 3.36Å; Y89-R97 PolarHBondContact O-N 2.66Å
90A92.6Very high93.1Very high32 Ų3258.8 Ų58.826%0.26433%0.332SS..EExtended strand (participates in β ladder)trans-105.4114.8175.500000109.1Y68 L96Y68-A90 HydrophobicContact CE1-CB 3.85Å; A90-L96 HydrophobicContact CB-CD2 4.26Å; A90-L96 HydrophobicContact CB-CG 4.11Å
91S89.2Confident93.2Very high65 Ų6560.7 Ų60.746%0.45531%0.312SS..EExtended strand (participates in β ladder)trans-79.5-38.4172.2-173.60000110.8N95S91-N95 WeakPolarHBondContact CB-OD1 3.2Å; S91-N95 PolarHBondContact N-O 2.81Å
92T85.9Confident93.3Very high79 Ų7964.6 Ų64.649%0.48533%0.332SS..EExtended strand (participates in β ladder)trans-143.3176173.471.30000108.4N94 N95T92-N94 PolarHBondContact O-N 3.43Å; T92-N94 PolarHBondContact OG1-N 2.94Å; T92-N95 PolarHBondContact N-O 3.06Å; T92-N95 PolarHBondContact O-N 3.28Å; T92-N95 WeakPolarHBondContact OG1-CB 3.16Å; T92-N95 PolarHBondContact OG1-N 3.48Å
93R81.8Confident93.5Very high175 Ų17561.5 Ų61.566%0.6631%0.309SS*.THydrogen-bonded Turntrans-59.1-26.3173-69.8-173.3177.9177.7-0.6113.2
94N86.6Confident93.7Very high54 Ų5460.2 Ų60.229%0.28930%0.295SS..THydrogen-bonded Turntrans-110.7-2.6-175.6-55-20.8000113.1D42 L43 T92D42-N94 CarbonylContact C-O 3.57Å; D42-N94 WeakPolarHBondContact CA-O 3.35Å; L43-N94 HydrophobicContact CB-CB 4.26Å; L43-N94 PolarHBondContact N-O 3.34Å; T92-N94 PolarHBondContact O-N 3.43Å; T92-N94 PolarHBondContact OG1-N 2.94Å
95N91.7Very high93.8Very high38 Ų3866.8 Ų66.820%0.20332%0.316CS..EExtended strand (participates in β ladder)trans-126.6108.1177.7-177.6-87.3000109.9D42 S91 T92D42-N95 PolarHBondContact OD1-ND2 3.15Å; S91-N95 WeakPolarHBondContact CB-OD1 3.2Å; S91-N95 PolarHBondContact N-O 2.81Å; T92-N95 PolarHBondContact N-O 3.06Å; T92-N95 PolarHBondContact O-N 3.28Å; T92-N95 WeakPolarHBondContact OG1-CB 3.16Å; T92-N95 PolarHBondContact OG1-N 3.48Å
96L94.3Very high93.7Very high0 Ų069.7 Ų69.70%033%0.333CS..EExtended strand (participates in β ladder)trans-125.5156.9-177.8-63.990.4000110.7C41 L43 I51 W53 Y68 T88 Y89 A90C41-L96 HydrophobicContact CB-CB 4.33Å; C41-L96 PolarHBondContact N-O 3.02Å; C41-L96 PolarHBondContact O-N 3.47Å; L43-L96 HydrophobicContact CD1-CD1 3.97Å; I51-L96 HydrophobicContact CB-CD2 4.07Å; I51-L96 HydrophobicContact CD1-CD1 4.37Å; I51-L96 HydrophobicContact CD1-CD2 4.05Å; I51-L96 HydrophobicContact CG1-CD1 4.07Å; I51-L96 HydrophobicContact CG1-CD2 3.99Å; I51-L96 HydrophobicContact CG2-CD2 4.19Å; W53-L96 HydrophobicContact CZ2-CB 4.3Å; Y68-L96 HydrophobicContact CD1-CD2 3.39Å; Y68-L96 HydrophobicContact CE1-CD2 3.91Å; Y68-L96 HydrophobicContact CG-CD2 4.1Å; T88-L96 HydrophobicContact CG2-CD2 3.98Å; Y89-L96 CarbonylContact O-C 3.48Å; Y89-L96 WeakPolarHBondContact O-CA 3.43Å; A90-L96 HydrophobicContact CB-CD2 4.26Å; A90-L96 HydrophobicContact CB-CG 4.11Å
97R95.8Very high93.7Very high87 Ų8769.1 Ų69.133%0.32833%0.332SS..EExtended strand (participates in β ladder)trans-133.3133.4177.2-64.8163.3-176.8-147.313.1109.1E38 I39 T40 T88 Y89E38-R97 HydrophobicContact CG-CB 4.05Å; E38-R97 HydrophobicContact CG-CG 4.23Å; E38-R97 WeakPolarHBondContact OE1-CD 3.33Å; E38-R97 WeakPolarHBondContact OE1-CG 3.42Å; E38-R97 IonicContact OE1-CZ 3.43Å; E38-R97 VanDerWaalsContact OE1-CZ 3.24Å; E38-R97 IonicContact OE1-NE 2.75Å; E38-R97 PolarHBondContact OE1-NE 2.68Å; E38-R97 IonicContact OE1-NH1 3.2Å; E38-R97 PolarHBondContact OE1-NH1 3.17Å; E38-R97 IonicContact OE2-NH1 2.66Å; E38-R97 PolarHBondContact OE2-NH1 3.33Å; I39-R97 CarbonylContact O-C 3.56Å; I39-R97 VanDerWaalsContact O-CA 3.28Å; I39-R97 WeakPolarHBondContact O-CA 3.3Å; T40-R97 HydrophobicContact CG2-CG 4.37Å; T88-R97 CarbonylContact C-O 3.59Å; T88-R97 WeakPolarHBondContact CA-O 3.47Å; Y89-R97 PolarHBondContact N-O 3.36Å; Y89-R97 PolarHBondContact O-N 2.66Å
98L97.1Very high93.8Very high0 Ų072.4 Ų72.40%035%0.348CS..EExtended strand (participates in β ladder)trans-96.8119.1166-168.270.5000108.3E38 I39 W53 L65 Y86 L100 Y111E38-L98 WeakPolarHBondContact CA-O 3.42Å; I39-L98 HydrophobicContact CB-CB 4.32Å; I39-L98 PolarHBondContact N-O 3.4Å; I39-L98 PolarHBondContact O-N 2.88Å; W53-L98 HydrophobicContact CB-CD1 4.47Å; W53-L98 HydrophobicContact CB-CD2 4.3Å; W53-L98 HydrophobicContact CD2-CB 3.85Å; W53-L98 HydrophobicContact CD2-CD1 4.06Å; W53-L98 HydrophobicContact CD2-CD2 3.97Å; W53-L98 HydrophobicContact CD2-CG 4.19Å; W53-L98 HydrophobicContact CE3-CB 3.87Å; W53-L98 HydrophobicContact CE3-CD2 3.86Å; W53-L98 HydrophobicContact CE3-CG 4.37Å; W53-L98 HydrophobicContact CG-CD1 3.92Å; W53-L98 HydrophobicContact CG-CD2 4.18Å; W53-L98 HydrophobicContact CG-CG 4.47Å; W53-L98 HydrophobicContact CH2-CB 3.69Å; W53-L98 HydrophobicContact CZ2-CB 3.73Å; W53-L98 HydrophobicContact CZ3-CB 3.79Å; W53-L98 HydrophobicContact CZ3-CD2 4.45Å; L65-L98 HydrophobicContact CD1-CD2 4.31Å; Y86-L98 HydrophobicContact CD1-CD2 4.12Å; Y86-L98 HydrophobicContact CD1-CG 4.38Å; L98-L100 HydrophobicContact CD2-CD1 3.89Å; L98-L100 HydrophobicContact CG-CD1 3.95Å; L98-Y111 HydrophobicContact CD2-CD1 3.93Å; L98-Y111 HydrophobicContact CD2-CE1 4.4Å
99I97.4Very high93.8Very high44 Ų4472.4 Ų72.423%0.22635%0.353CS..EExtended strand (participates in β ladder)trans-104.8117.1177.8-56167.8000108A37 E38 Y87 R101A37-I99 WeakPolarHBondContact O-CA 3.49Å; E38-I99 HydrophobicContact CG-CG1 4.38Å; Y87-I99 PolarHBondContact N-O 3.43Å; Y87-I99 PolarHBondContact O-N 2.86Å; I99-R101 HydrophobicContact CG2-CG 4.47Å
100L97.5Very high93.9Very high3 Ų370.4 Ų70.42%0.01635%0.354CS..EExtended strand (participates in β ladder)trans-91.8132.3171.6-77.571.8000108.5S36 A37 I39 Y86 L98 L103 D107 Y111S36-L100 CarbonylContact C-O 3.55Å; S36-L100 WeakPolarHBondContact CA-O 3.42Å; S36-L100 VanDerWaalsContact CB-O 3.23Å; S36-L100 WeakPolarHBondContact CB-O 3.32Å; A37-L100 HydrophobicContact CB-CB 4.42Å; A37-L100 PolarHBondContact N-O 3.27Å; A37-L100 PolarHBondContact O-N 2.79Å; I39-L100 HydrophobicContact CG1-CD1 4.33Å; Y86-L100 HydrophobicContact CD1-CD1 3.96Å; Y86-L100 HydrophobicContact CD1-CD2 4.49Å; Y86-L100 HydrophobicContact CD1-CG 3.74Å; Y86-L100 HydrophobicContact CE1-CD1 4.17Å; Y86-L100 HydrophobicContact CE1-CD2 3.96Å; Y86-L100 HydrophobicContact CE1-CG 3.7Å; L98-L100 HydrophobicContact CD2-CD1 3.89Å; L98-L100 HydrophobicContact CG-CD1 3.95Å; L100-L103 HydrophobicContact CB-CD2 3.81Å; L100-L103 HydrophobicContact CD2-CD2 3.89Å; L100-D107 HydrophobicContact CD2-CB 4.2Å; L100-Y111 HydrophobicContact CD1-CE1 4.33Å; L100-Y111 HydrophobicContact CD2-CE1 3.99Å; L100-Y111 HydrophobicContact CD2-CE2 4.07Å; L100-Y111 WeakPolarHBondContact CD2-OH 3.47Å
101R95.7Very high94.1Very high127 Ų12770.3 Ų70.348%0.47935%0.347SS..  trans-111.5153.9173.8-62.4-166.6-175.8-165.2-3.8111.3K85 Y87 I99K85-R101 PolarHBondContact NZ-O 2.89Å; K85-R101 PolarHBondContact O-N 3.25Å; Y87-R101 HydrophobicContact CD2-CG 3.98Å; Y87-R101 HydrophobicContact CE2-CB 4.47Å; Y87-R101 VanDerWaalsContact CE2-CD 3.42Å; Y87-R101 HydrophobicContact CE2-CG 3.82Å; I99-R101 HydrophobicContact CG2-CG 4.47Å
102N96.5Very high94.3Very high109 Ų10971.1 Ų71.158%0.58334%0.341SS*.SBendtrans49.264.7176.8-171.435.1000111S35 K85S35-N102 PolarHBondContact O-N 3.18Å; S35-N102 VanDerWaalsContact O-N 3.15Å; K85-N102 PolarHBondContact NZ-O 3.23Å
103L97.7Very high94.8Very high18 Ų1868.8 Ų68.89%0.09433%0.328CS..  trans-58.7137.9-175.3-71.7169000111.7R31 T33 G34 S35 A37 L100 D107R31-L103 HydrophobicContact CB-CD1 3.36Å; R31-L103 HydrophobicContact CG-CD1 4.13Å; T33-L103 CarbonylContact C-O 3.52Å; T33-L103 WeakPolarHBondContact CA-O 3.47Å; T33-L103 VanDerWaalsContact CG2-O 3.3Å; T33-L103 WeakPolarHBondContact CG2-O 3.41Å; G34-L103 PolarHBondContact N-O 3.01Å; S35-L103 WeakPolarHBondContact O-CG 3.06Å; S35-L103 PolarHBondContact O-N 3.41Å; A37-L103 HydrophobicContact CB-CD1 3.88Å; A37-L103 HydrophobicContact CB-CD2 4.16Å; L100-L103 HydrophobicContact CB-CD2 3.81Å; L100-L103 HydrophobicContact CD2-CD2 3.89Å; L103-D107 VanDerWaalsContact CA-OD2 3.27Å; L103-D107 WeakPolarHBondContact CA-OD2 3.45Å; L103-D107 HydrophobicContact CD2-CB 4.03Å
104I96.7Very high95.3Very high86 Ų8662 Ų6244%0.44131%0.309SS..  trans-127.9166.5173.360.5169.7000109.5N106 D107I104-N106 HydrophobicContact CD1-CB 4.04Å; I104-N106 HydrophobicContact CG1-CB 4.31Å; I104-N106 PolarHBondContact O-N 2.78Å; I104-D107 WeakPolarHBondContact CG1-OD2 3.49Å; I104-D107 PolarHBondContact N-OD2 3.19Å; I104-D107 WeakPolarHBondContact O-CB 3.41Å; I104-D107 PolarHBondContact O-N 2.87Å
105E95Very high95.7Very high176 Ų17661.1 Ų61.182%0.82231%0.306SS*.G310 helixtrans-56-36-179.9-171.6178-178.200112.9D107 F108E105-D107 PolarHBondContact O-N 2.93Å; E105-D107 VanDerWaalsContact O-N 3.15Å; E105-F108 WeakPolarHBondContact O-CB 3.26Å; E105-F108 PolarHBondContact O-N 3.48Å
106N94.3Very high95.6Very high93 Ų9366.8 Ų66.850%0.49732%0.324SS..G310 helixtrans-69.6-7.5177.8-170.468.3000114.2Q57 I104Q57-N106 PolarHBondContact NE2-O 2.92Å; I104-N106 HydrophobicContact CD1-CB 4.04Å; I104-N106 HydrophobicContact CG1-CB 4.31Å; I104-N106 PolarHBondContact O-N 2.78Å
107D96.6Very high94.9Very high13 Ų1374.7 Ų74.77%0.0737%0.366CS..G310 helixtrans-82.8-3.4170.1-58.2-41.3000112.4K85 L100 L103 I104 E105 G109 Y111K85-D107 VanDerWaalsContact CE-CG 3.47Å; K85-D107 WeakPolarHBondContact CE-OD1 3.49Å; K85-D107 WeakPolarHBondContact CE-OD2 3.45Å; K85-D107 VanDerWaalsContact NZ-CG 3.3Å; K85-D107 IonicContact NZ-OD1 3.25Å; K85-D107 PolarHBondContact NZ-OD1 3.34Å; K85-D107 IonicContact NZ-OD2 3.24Å; K85-D107 PolarHBondContact NZ-OD2 2.88Å; L100-D107 HydrophobicContact CD2-CB 4.2Å; L103-D107 VanDerWaalsContact CA-OD2 3.27Å; L103-D107 WeakPolarHBondContact CA-OD2 3.45Å; L103-D107 HydrophobicContact CD2-CB 4.03Å; I104-D107 WeakPolarHBondContact CG1-OD2 3.49Å; I104-D107 PolarHBondContact N-OD2 3.19Å; I104-D107 WeakPolarHBondContact O-CB 3.41Å; I104-D107 PolarHBondContact O-N 2.87Å; E105-D107 PolarHBondContact O-N 2.93Å; E105-D107 VanDerWaalsContact O-N 3.15Å; D107-G109 PolarHBondContact O-N 3.13Å; D107-Y111 WeakPolarHBondContact O-CE2 3.32Å; D107-Y111 PolarHBondContact O-OH 2.87Å
108F96.6Very high93.3Very high165 Ų16577 Ų7772%0.72442%0.418SS*.  trans-67.6127.3175.9-174.8-97.8000110.6Q57 E105Q57-F108 PolarHBondContact NE2-O 2.77Å; Q57-F108 VanDerWaalsContact NE2-O 3.09Å; E105-F108 WeakPolarHBondContact O-CB 3.26Å; E105-F108 PolarHBondContact O-N 3.48Å
109G96.4Very high93.1Very high27 Ų2780.9 Ų80.928%0.27844%0.439SS..SBendtrans160.9-175.3177.200000112.9H56 D107H56-G109 WeakPolarHBondContact O-CA 3.16Å; D107-G109 PolarHBondContact O-N 3.13Å
110V96.2Very high92.9Very high87 Ų8782.8 Ų82.853%0.52745%0.45SS..EExtended strand (participates in β ladder)trans-93.9122.9176.5-178.50000109H56H56-V110 PolarHBondContact N-O 2.81Å; H56-V110 PolarHBondContact O-N 2.86Å
111Y96.9Very high92.7Very high30 Ų3087.3 Ų87.312%0.11847%0.474CS..EExtended strand (participates in β ladder)trans-101.2133.1173.2-68.4-95.7000109.7I39 Y54 L55 L65 Y86 L98 L100 D107I39-Y111 HydrophobicContact CG1-CG 4.27Å; Y54-Y111 WeakPolarHBondContact O-CA 3.43Å; L55-Y111 HydrophobicContact CB-CD1 4.36Å; L55-Y111 HydrophobicContact CB-CE1 4.02Å; L55-Y111 HydrophobicContact CD1-CD1 4.4Å; L55-Y111 HydrophobicContact CD1-CD2 4.21Å; L55-Y111 HydrophobicContact CD1-CE1 3.95Å; L55-Y111 HydrophobicContact CD1-CE2 3.73Å; L55-Y111 HydrophobicContact CD2-CE1 4.42Å; L55-Y111 HydrophobicContact CG-CE1 4.34Å; L65-Y111 HydrophobicContact CD1-CD1 4.07Å; L65-Y111 HydrophobicContact CD1-CE1 3.77Å; Y86-Y111 AromaticContact CE1-CE1 3.97Å; Y86-Y111 HydrophobicContact CE1-CE1 3.97Å; L98-Y111 HydrophobicContact CD2-CD1 3.93Å; L98-Y111 HydrophobicContact CD2-CE1 4.4Å; L100-Y111 HydrophobicContact CD1-CE1 4.33Å; L100-Y111 HydrophobicContact CD2-CE1 3.99Å; L100-Y111 HydrophobicContact CD2-CE2 4.07Å; L100-Y111 WeakPolarHBondContact CD2-OH 3.47Å; D107-Y111 WeakPolarHBondContact O-CE2 3.32Å; D107-Y111 PolarHBondContact O-OH 2.87Å
112Y94.2Very high92.5Very high82 Ų8284.9 Ų84.932%0.32247%0.474SS..EExtended strand (participates in β ladder)trans-140.3149.6172.361.8-89.2000111.1Y54 H56 P62Y54-Y112 VanDerWaalsContact CB-CZ 3.41Å; Y54-Y112 HydrophobicContact CD2-CD2 4.11Å; Y54-Y112 AromaticContact CD2-CE2 3.59Å; Y54-Y112 HydrophobicContact CD2-CE2 3.59Å; Y54-Y112 HydrophobicContact CE2-CE2 4.41Å; Y54-Y112 HydrophobicContact CG-CD2 4.39Å; Y54-Y112 AromaticContact CG-CE2 3.67Å; Y54-Y112 HydrophobicContact CG-CE2 3.67Å; Y54-Y112 AromaticContact CG-CZ 3.76Å; Y54-Y112 PolarHBondContact N-O 3.28Å; Y54-Y112 PolarHBondContact O-N 2.99Å; H56-Y112 HydrophobicContact CB-CE1 4.18Å; P62-Y112 HydrophobicContact CB-CE1 4.35Å; P62-Y112 WeakPolarHBondContact CB-OH 3.05Å
113C94.9Very high92.2Very high31 Ų3183.4 Ų83.421%0.20947%0.467CS..EExtended strand (participates in β ladder)trans-100.3150.3170.365.70000110.1C41 I51 H52 W53C41-C113 HydrophobicContact CB-CB 3.6Å; C41-C113 WeakPolarHBondContact CB-SG 3.38Å; C41-C113 WeakPolarHBondContact SG-CB 3.27Å; C41-C113 CovalentContact SG-SG 2.01Å; C41-C113 PolarHBondContact SG-SG 2.87Å; I51-C113 HydrophobicContact CG2-CB 4.22Å; H52-C113 CarbonylContact O-C 3.49Å; H52-C113 VanDerWaalsContact O-CA 3.23Å; H52-C113 WeakPolarHBondContact O-CA 3.34Å; W53-C113 HydrophobicContact CD2-CB 4.19Å; W53-C113 HydrophobicContact CE3-CB 3.86Å; W53-C113 HydrophobicContact CH2-CB 4.03Å; W53-C113 HydrophobicContact CZ2-CB 4.28Å; W53-C113 HydrophobicContact CZ3-CB 3.78Å
114A94Very high91.9Very high33 Ų3387.8 Ų87.827%0.27349%0.492SS..EExtended strand (participates in β ladder)trans-147.2152.5175.300000111H52 Y54H52-A114 PolarHBondContact N-O 2.76Å; H52-A114 PolarHBondContact O-N 3.02Å; Y54-A114 HydrophobicContact CE2-CB 4.29Å
115T94Very high91.5Very high34 Ų3487.9 Ų87.921%0.20950%0.496CS..  trans-119.3153166.957.40000108L43 N48 I51L43-T115 HydrophobicContact CD1-CG2 3.77Å; L43-T115 HydrophobicContact CD2-CG2 3.93Å; L43-T115 HydrophobicContact CG-CG2 4.49Å; N48-T115 WeakPolarHBondContact O-CG2 3.47Å; I51-T115 HydrophobicContact CG1-CG2 4.13Å
116W89.1Confident91.3Very high158 Ų15881.2 Ų81.260%0.59847%0.471SS*.  trans-76.5149.3170.5-61.1-10.1000110N48 H52 G118N48-W116 WeakPolarHBondContact CB-O 3.31Å; H52-W116 AromaticContact CD2-NE1 3.83Å; H52-W116 AromaticContact NE2-CE2 3.77Å; H52-W116 AromaticContact NE2-NE1 3.7Å; W116-G118 PolarHBondContact O-N 3.06Å
117D80.8Confident91Very high165 Ų16580.2 Ų80.288%0.88247%0.469SS*.  trans-58.2129166.9-63.9-26.8000107.8
118G62.4Low90.5Very high137 Ų13786.3 Ų86.3100%1.41251%0.505SS*.  trans-82.70177.900000112.6W116W116-G118 PolarHBondContact O-N 3.06Å

Retrieved 118 of 118 residues in 58 ms (Link to these results)