A0A087XY47_POEFO Loading...

Dual specificity phosphatase 19a

AlphaFold DB , UniProt , Accession A0A087XY47, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 202 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
1M56.2Low74.7Confident241 Ų241118.6 Ų118.6100%1.18761%0.608SS**  0121.70-74.9164.669.300107.1
2Q64.2Low74.7Confident134 Ų134112.1 Ų112.163%0.62658%0.581SS**  trans-69.5145.5172.7-72.2179.3-16.200108.4E7Q2-E7 HydrophobicContact CB-CG 4.27Å
3S81.7Confident74.3Confident56 Ų56120.1 Ų120.139%0.39260%0.599SS.*  trans-74.7147.6176.7890000109.7T5 Q6 E7S3-T5 PolarHBondContact O-N 3Å; S3-Q6 WeakPolarHBondContact O-CA 3.46Å; S3-Q6 WeakPolarHBondContact O-CB 3.47Å; S3-Q6 PolarHBondContact O-N 3.09Å; S3-Q6 PolarHBondContact OG-N 3.28Å; S3-E7 PolarHBondContact O-N 2.72Å; S3-E7 VanDerWaalsContact O-N 3.12Å
4L76.7Confident73.9Confident125 Ų125120.7 Ų120.765%0.65461%0.613SS**Hα-helixtrans-50.5-35.3176.6-175.669.9000112E7 I8L4-E7 PolarHBondContact O-N 3.09Å; L4-I8 HydrophobicContact CG-CD1 4.12Å; L4-I8 VanDerWaalsContact O-CG1 3.32Å; L4-I8 WeakPolarHBondContact O-CG1 3.46Å; L4-I8 PolarHBondContact O-N 3.25Å
5T77.9Confident73.8Confident87 Ų87124.8 Ų124.853%0.53462%0.618SS.*Hα-helixtrans-64.8-38.9177.3-45.40000112.4S3 Q9S3-T5 PolarHBondContact O-N 3Å; T5-Q9 WeakPolarHBondContact O-CB 3.32Å; T5-Q9 VanDerWaalsContact O-CG 3.31Å; T5-Q9 WeakPolarHBondContact O-CG 3.48Å; T5-Q9 PolarHBondContact O-N 3.28Å
6Q78.4Confident73.5Confident109 Ų109123.3 Ų123.351%0.50961%0.612SS.*Hα-helixtrans-71.1-35.5176.6-71.7175-34.400111.7S3 Q9 S10S3-Q6 WeakPolarHBondContact O-CA 3.46Å; S3-Q6 WeakPolarHBondContact O-CB 3.47Å; S3-Q6 PolarHBondContact O-N 3.09Å; S3-Q6 PolarHBondContact OG-N 3.28Å; Q6-Q9 PolarHBondContact O-N 3.04Å; Q6-S10 WeakPolarHBondContact O-CB 3.27Å; Q6-S10 PolarHBondContact O-N 2.82Å; Q6-S10 PolarHBondContact O-OG 3.21Å
7E79.7Confident73.5Confident96 Ų96128.9 Ų128.945%0.44962%0.624SS.*Hα-helixtrans-64.9-43.6174.3-70179.8-172.100111.3Q2 S3 L4 S10 F11Q2-E7 HydrophobicContact CB-CG 4.27Å; S3-E7 PolarHBondContact O-N 2.72Å; S3-E7 VanDerWaalsContact O-N 3.12Å; L4-E7 PolarHBondContact O-N 3.09Å; E7-S10 PolarHBondContact O-N 3.28Å; E7-S10 PolarHBondContact O-OG 3.28Å; E7-F11 VanDerWaalsContact O-CB 3.28Å; E7-F11 WeakPolarHBondContact O-CB 3.43Å; E7-F11 PolarHBondContact O-N 3.03Å
8I77.1Confident73.4Confident117 Ų117132.3 Ų132.360%0.664%0.636SS**Hα-helixtrans-64.5-42.4176.6-67.5166.4000111.5L4 F11L4-I8 HydrophobicContact CG-CD1 4.12Å; L4-I8 VanDerWaalsContact O-CG1 3.32Å; L4-I8 WeakPolarHBondContact O-CG1 3.46Å; L4-I8 PolarHBondContact O-N 3.25Å; I8-F11 PolarHBondContact O-N 3.07Å
9Q76.9Confident72.9Confident156 Ų156131.8 Ų131.873%0.72963%0.633SS**Hα-helixtrans-69.7-32.1-179.5-75.2179-10.600113.2T5 Q6T5-Q9 WeakPolarHBondContact O-CB 3.32Å; T5-Q9 VanDerWaalsContact O-CG 3.31Å; T5-Q9 WeakPolarHBondContact O-CG 3.48Å; T5-Q9 PolarHBondContact O-N 3.28Å; Q6-Q9 PolarHBondContact O-N 3.04Å
10S78.6Confident73.2Confident78 Ų78129 Ų12955%0.54563%0.626SS.*Hα-helixtrans-88.3-7.4178.1620000113.7Q6 E7 S12Q6-S10 WeakPolarHBondContact O-CB 3.27Å; Q6-S10 PolarHBondContact O-N 2.82Å; Q6-S10 PolarHBondContact O-OG 3.21Å; E7-S10 PolarHBondContact O-N 3.28Å; E7-S10 PolarHBondContact O-OG 3.28Å; S10-S12 PolarHBondContact O-N 3.36Å
11F74.8Confident73.4Confident106 Ų106125.9 Ų125.947%0.46562%0.615SS.*  trans-72.4120.2-178.4-175.4-97.4000111.8E7 I8 R13 L16E7-F11 VanDerWaalsContact O-CB 3.28Å; E7-F11 WeakPolarHBondContact O-CB 3.43Å; E7-F11 PolarHBondContact O-N 3.03Å; I8-F11 PolarHBondContact O-N 3.07Å; F11-R13 PolarHBondContact O-N 2.88Å; F11-L16 HydrophobicContact CE1-CD1 4.07Å; F11-L16 HydrophobicContact CE1-CD2 3.55Å; F11-L16 HydrophobicContact CE1-CG 3.61Å; F11-L16 HydrophobicContact CZ-CD2 3.49Å; F11-L16 VanDerWaalsContact CZ-CD2 3.49Å; F11-L16 HydrophobicContact CZ-CG 3.85Å
12S74.8Confident74.6Confident40 Ų40121.7 Ų121.728%0.2859%0.586SS.*  trans-82118175.7-175.30000110.6S10 T14 R15S10-S12 PolarHBondContact O-N 3.36Å; S12-T14 PolarHBondContact O-N 2.96Å; S12-T14 VanDerWaalsContact O-N 3.08Å; S12-T14 PolarHBondContact OG-N 2.69Å; S12-T14 PolarHBondContact OG-OG1 2.67Å; S12-R15 WeakPolarHBondContact O-CB 3.37Å; S12-R15 PolarHBondContact O-N 3.48Å
13R68.9Low75.3Confident216 Ų216117.7 Ų117.782%0.81557%0.571SS**G310 helixtrans-56.3-23.4173.1-73179.7162.6173.5-5.5113.5F11 R15 L16F11-R13 PolarHBondContact O-N 2.88Å; R13-R15 PolarHBondContact O-N 3.36Å; R13-L16 HydrophobicContact CB-CD1 4.42Å; R13-L16 HydrophobicContact CG-CD1 4.48Å; R13-L16 WeakPolarHBondContact O-CB 3.33Å; R13-L16 PolarHBondContact O-N 3.46Å
14T69.4Low75.1Confident129 Ų129118.7 Ų118.779%0.79158%0.575SS**G310 helixtrans-70.9-15.4177.162.50000113.7S12S12-T14 PolarHBondContact O-N 2.96Å; S12-T14 VanDerWaalsContact O-N 3.08Å; S12-T14 PolarHBondContact OG-N 2.69Å; S12-T14 PolarHBondContact OG-OG1 2.67Å
15R71.9Confident74.8Confident182 Ų182115.1 Ų115.169%0.68756%0.56SS**G310 helixtrans-87.7-5.5175.7-67.3-172.5-91.4-156.3-5.5113.3S12 R13S12-R15 WeakPolarHBondContact O-CB 3.37Å; S12-R15 PolarHBondContact O-N 3.48Å; R13-R15 PolarHBondContact O-N 3.36Å
16L69.6Low74.1Confident101 Ų101120.2 Ų120.253%0.52958%0.583SS.*SBendtrans-68.2137.4175.4-69.6168.8000110.3F11 R13 K18F11-L16 HydrophobicContact CE1-CD1 4.07Å; F11-L16 HydrophobicContact CE1-CD2 3.55Å; F11-L16 HydrophobicContact CE1-CG 3.61Å; F11-L16 HydrophobicContact CZ-CD2 3.49Å; F11-L16 VanDerWaalsContact CZ-CD2 3.49Å; F11-L16 HydrophobicContact CZ-CG 3.85Å; R13-L16 HydrophobicContact CB-CD1 4.42Å; R13-L16 HydrophobicContact CG-CD1 4.48Å; R13-L16 WeakPolarHBondContact O-CB 3.33Å; R13-L16 PolarHBondContact O-N 3.46Å; L16-K18 PolarHBondContact O-N 3.31Å
17R72.4Confident73.5Confident218 Ų218120 Ų12082%0.82359%0.593SS**PPolyproline II helixtrans-57.9128.3167-71.8-175.1-179.9-176.50.1107.7Q19R17-Q19 PolarHBondContact O-N 3.48Å; R17-Q19 VanDerWaalsContact O-N 3.11Å
18K72.1Confident72.6Confident191 Ų191117.1 Ų117.183%0.8359%0.59SS**PPolyproline II helixtrans-61.7117.6172.1-64.7-179.6-177.9175.80107.2L16L16-K18 PolarHBondContact O-N 3.31Å
19Q64.4Low72.5Confident123 Ų123118.4 Ų118.458%0.57559%0.587SS**  trans-104147.3178-68.5-59.9-24.400109.7R17R17-Q19 PolarHBondContact O-N 3.48Å; R17-Q19 VanDerWaalsContact O-N 3.11Å
20C77.3Confident72.3Confident74 Ų74113.2 Ų113.250%0.556%0.561SS.*EExtended strand (participates in β ladder)trans-119.7117.7175.5177.20000106.1I32 E33C20-I32 WeakPolarHBondContact SG-CG2 3.49Å; C20-E33 WeakPolarHBondContact CA-O 3.36Å
21T78.8Confident72.5Confident65 Ų65111.2 Ų111.240%0.39954%0.544SS..EExtended strand (participates in β ladder)trans-103.1121.2-176.5-54.30000108.8V23 E33T21-V23 HydrophobicContact CG2-CG2 4.02Å; T21-E33 PolarHBondContact N-O 3.08Å; T21-E33 PolarHBondContact O-N 3.28Å
22R82.1Confident73Confident152 Ų152107.7 Ų107.757%0.57453%0.53SS*.EExtended strand (participates in β ladder)trans-85.7116.3169.1-178.2-178.6-77.4134.3-3.5108.3D45R22-D45 WeakPolarHBondContact CD-OD2 3.46Å; R22-D45 IonicContact CZ-OD2 3.55Å; R22-D45 IonicContact NE-OD2 2.73Å; R22-D45 PolarHBondContact NE-OD2 2.9Å; R22-D45 IonicContact NH2-OD2 3.57Å
23V77.3Confident73.5Confident51 Ų51108.1 Ų108.131%0.30953%0.527SS..EExtended strand (participates in β ladder)trans-105.8129.6178.4-177.50000108.5T21 R30 I31 E33T21-V23 HydrophobicContact CG2-CG2 4.02Å; V23-R30 WeakPolarHBondContact O-CA 3.14Å; V23-I31 HydrophobicContact CB-CD1 4.26Å; V23-I31 HydrophobicContact CB-CG1 3.74Å; V23-I31 HydrophobicContact CG1-CG1 4.39Å; V23-I31 HydrophobicContact CG2-CG1 4.46Å; V23-I31 PolarHBondContact N-O 2.83Å; V23-I31 PolarHBondContact O-N 2.84Å; V23-E33 HydrophobicContact CG2-CG 4.1Å
24T77.1Confident74.1Confident77 Ų77100 Ų10047%0.47250%0.502SS..EExtended strand (participates in β ladder)trans-111.6121.2173-53.70000108.2R29 R30T24-R29 WeakPolarHBondContact CA-O 3.38Å; T24-R30 HydrophobicContact CG2-CG 4.08Å
25S71.4Confident74.3Confident50 Ų5099.7 Ų99.735%0.3549%0.486SS..  trans-75.9167.5177.772.40000111.8S27 G28 R29S25-S27 PolarHBondContact O-N 3.02Å; S25-S27 PolarHBondContact OG-N 3.06Å; S25-S27 PolarHBondContact OG-OG 3.11Å; S25-G28 PolarHBondContact O-N 3.42Å; S25-G28 PolarHBondContact OG-N 2.95Å; S25-R29 PolarHBondContact N-O 2.97Å; S25-R29 WeakPolarHBondContact OG-CB 3.36Å; S25-R29 PolarHBondContact OG-N 3.42Å; S25-R29 PolarHBondContact OG-O 2.86Å
26L62.4Low74.4Confident193 Ų19397.8 Ų97.8100%1.0148%0.483SS*.THydrogen-bonded Turntrans-58.9-25.3170.7-64.6173.9000113.2G28L26-G28 VanDerWaalsContact C-N 3.27Å
27S65.6Low74.5Confident104 Ų10496.3 Ų96.373%0.72749%0.492SS*.THydrogen-bonded Turntrans-84.22.3174.861.30000113.7S25 R29S25-S27 PolarHBondContact O-N 3.02Å; S25-S27 PolarHBondContact OG-N 3.06Å; S25-S27 PolarHBondContact OG-OG 3.11Å; S27-R29 PolarHBondContact O-N 2.85Å
28G61.8Low74.4Confident37 Ų3791.7 Ų91.738%0.38149%0.493SS..  trans77.93-176.100000114.4S25 L26 R30S25-G28 PolarHBondContact O-N 3.42Å; S25-G28 PolarHBondContact OG-N 2.95Å; L26-G28 VanDerWaalsContact C-N 3.27Å; G28-R30 PolarHBondContact O-N 2.93Å
29R74.1Confident74.2Confident144 Ų14486.8 Ų86.854%0.54348%0.479SS..  trans-67.8128.4174.9-170.9-178.6-176.7-167.10.6109T24 S25 S27 E44T24-R29 WeakPolarHBondContact CA-O 3.38Å; S25-R29 PolarHBondContact N-O 2.97Å; S25-R29 WeakPolarHBondContact OG-CB 3.36Å; S25-R29 PolarHBondContact OG-N 3.42Å; S25-R29 PolarHBondContact OG-O 2.86Å; S27-R29 PolarHBondContact O-N 2.85Å; R29-E44 IonicContact CZ-OE1 3.24Å; R29-E44 VanDerWaalsContact CZ-OE1 3.24Å; R29-E44 IonicContact NE-OE1 2.98Å; R29-E44 PolarHBondContact NE-OE1 3.45Å; R29-E44 IonicContact NH2-OE1 2.7Å; R29-E44 PolarHBondContact NH2-OE1 3.22Å
30R72.8Confident74.8Confident47 Ų4784.4 Ų84.418%0.17747%0.469CS..EExtended strand (participates in β ladder)trans-105.9128.7178.5-72.5-179.4166.3174.7-0.9110.7V23 T24 G28 D45 M52V23-R30 WeakPolarHBondContact O-CA 3.14Å; T24-R30 HydrophobicContact CG2-CG 4.08Å; G28-R30 PolarHBondContact O-N 2.93Å; R30-D45 HydrophobicContact CB-CB 3.5Å; R30-D45 PolarHBondContact O-N 3.47Å; R30-M52 PolarHBondContact NH2-SD 3.29Å
31I84.1Confident75Confident36 Ų3683.7 Ų83.719%0.18546%0.463CS..EExtended strand (participates in β ladder)trans-126.6147.7173.563.5177.2000109.9V23 E33 V42 V43V23-I31 HydrophobicContact CB-CD1 4.26Å; V23-I31 HydrophobicContact CB-CG1 3.74Å; V23-I31 HydrophobicContact CG1-CG1 4.39Å; V23-I31 HydrophobicContact CG2-CG1 4.46Å; V23-I31 PolarHBondContact N-O 2.83Å; V23-I31 PolarHBondContact O-N 2.84Å; I31-E33 HydrophobicContact CD1-CG 4.38Å; I31-V42 HydrophobicContact CB-CG1 3.67Å; I31-V42 HydrophobicContact CD1-CG1 3.69Å; I31-V42 HydrophobicContact CG1-CG1 4.11Å; I31-V42 HydrophobicContact CG2-CG1 4.02Å; I31-V43 CarbonylContact C-O 3.52Å; I31-V43 WeakPolarHBondContact CA-O 3.46Å
32I84.2Confident75.1Confident32 Ų3284.3 Ų84.316%0.16447%0.467CS..EExtended strand (participates in β ladder)trans-108.7111.2176.3-61.8-178.8000107.2C20 V42 V43 D45C20-I32 WeakPolarHBondContact SG-CG2 3.49Å; I32-V42 WeakPolarHBondContact O-CA 3.28Å; I32-V43 PolarHBondContact N-O 3.45Å; I32-V43 PolarHBondContact O-N 3.11Å; I32-D45 HydrophobicContact CD1-CB 4.27Å; I32-D45 HydrophobicContact CG1-CB 4.17Å
33E85.7Confident75.3Confident49 Ų4981 Ų8123%0.22946%0.463CS..EExtended strand (participates in β ladder)trans-92.4114.1175.3-61.8-170.9164.600109.8C20 T21 V23 I31 I40 T41 V42C20-E33 WeakPolarHBondContact CA-O 3.36Å; T21-E33 PolarHBondContact N-O 3.08Å; T21-E33 PolarHBondContact O-N 3.28Å; V23-E33 HydrophobicContact CG2-CG 4.1Å; I31-E33 HydrophobicContact CD1-CG 4.38Å; E33-I40 HydrophobicContact CB-CG2 4.14Å; E33-I40 HydrophobicContact CG-CG2 4.39Å; E33-T41 WeakPolarHBondContact CA-O 3.39Å; E33-V42 HydrophobicContact CG-CG2 4.32Å
34T81.7Confident75.4Confident46 Ų4684 Ų8428%0.28247%0.474SS..EExtended strand (participates in β ladder)trans-107.1117.5173.3-57.60000109.7T41T34-T41 PolarHBondContact N-O 3.07Å; T34-T41 PolarHBondContact O-N 3.49Å
35W73.8Confident75.3Confident122 Ų12281.2 Ų81.246%0.46246%0.456SS..EExtended strand (participates in β ladder)trans-83.7119.3177.1-7377.6000110.9I40W35-I40 HydrophobicContact CD2-CD1 4.42Å; W35-I40 HydrophobicContact CD2-CG1 3.88Å; W35-I40 HydrophobicContact CE3-CD1 4.4Å; W35-I40 HydrophobicContact CE3-CG1 3.83Å; W35-I40 HydrophobicContact CH2-CD1 3.4Å; W35-I40 VanDerWaalsContact CH2-CD1 3.4Å; W35-I40 HydrophobicContact CH2-CG1 3.77Å; W35-I40 HydrophobicContact CZ2-CD1 3.37Å; W35-I40 HydrophobicContact CZ2-CG1 3.79Å; W35-I40 HydrophobicContact CZ3-CD1 3.93Å; W35-I40 HydrophobicContact CZ3-CG1 3.77Å
36K73.4Confident75Confident142 Ų14284.4 Ų84.462%0.61748%0.476SS*.EExtended strand (participates in β ladder)trans-118.884170.7-71.8-178.1-178.1174.10108.8S38 T39K36-S38 PolarHBondContact O-N 3.3Å; K36-T39 PolarHBondContact N-O 3.09Å; K36-T39 PolarHBondContact O-N 3Å
37G72.3Confident75.1Confident70 Ų7078.7 Ų78.772%0.72245%0.448SS*.THydrogen-bonded Turntrans69.5-120.3-176.800000111.3
38S69.6Low74.8Confident120 Ų12078.4 Ų78.484%0.83944%0.444SS*.THydrogen-bonded Turntrans-87.3-4.6175.451.50000113.9K36K36-S38 PolarHBondContact O-N 3.3Å
39T67.4Low74.6Confident88 Ų8881.5 Ų81.554%0.5446%0.458SS..EExtended strand (participates in β ladder)trans-103.8130.6-177.8-48.20000110.5K36K36-T39 PolarHBondContact N-O 3.09Å; K36-T39 PolarHBondContact O-N 3Å
40I78.3Confident73.7Confident73 Ų7381.4 Ų81.437%0.37446%0.463SS..EExtended strand (participates in β ladder)trans-100.4124.2173.8-53.4172.1000107.6E33 W35 V42E33-I40 HydrophobicContact CB-CG2 4.14Å; E33-I40 HydrophobicContact CG-CG2 4.39Å; W35-I40 HydrophobicContact CD2-CD1 4.42Å; W35-I40 HydrophobicContact CD2-CG1 3.88Å; W35-I40 HydrophobicContact CE3-CD1 4.4Å; W35-I40 HydrophobicContact CE3-CG1 3.83Å; W35-I40 HydrophobicContact CH2-CD1 3.4Å; W35-I40 VanDerWaalsContact CH2-CD1 3.4Å; W35-I40 HydrophobicContact CH2-CG1 3.77Å; W35-I40 HydrophobicContact CZ2-CD1 3.37Å; W35-I40 HydrophobicContact CZ2-CG1 3.79Å; W35-I40 HydrophobicContact CZ3-CD1 3.93Å; W35-I40 HydrophobicContact CZ3-CG1 3.77Å; I40-V42 HydrophobicContact CG2-CG2 3.89Å
41T80.4Confident73Confident60 Ų6089.4 Ų89.437%0.36850%0.499SS..EExtended strand (participates in β ladder)trans-97.8124.2166.8-49.30000108.1E33 T34 V43E33-T41 WeakPolarHBondContact CA-O 3.39Å; T34-T41 PolarHBondContact N-O 3.07Å; T34-T41 PolarHBondContact O-N 3.49Å; T41-V43 HydrophobicContact CG2-CG2 4.15Å
42V82Confident71.4Confident78 Ų7892.4 Ų92.447%0.47351%0.514SS..EExtended strand (participates in β ladder)trans-110.5121.2178.5-173.80000108.1I31 I32 E33 I40I31-V42 HydrophobicContact CB-CG1 3.67Å; I31-V42 HydrophobicContact CD1-CG1 3.69Å; I31-V42 HydrophobicContact CG1-CG1 4.11Å; I31-V42 HydrophobicContact CG2-CG1 4.02Å; I32-V42 WeakPolarHBondContact O-CA 3.28Å; E33-V42 HydrophobicContact CG-CG2 4.32Å; I40-V42 HydrophobicContact CG2-CG2 3.89Å
43V85.9Confident70Confident81 Ų8195.3 Ų95.349%0.49153%0.529SS..EExtended strand (participates in β ladder)trans-121.8141.5177.8-158.90000108.5I31 I32 T41I31-V43 CarbonylContact C-O 3.52Å; I31-V43 WeakPolarHBondContact CA-O 3.46Å; I32-V43 PolarHBondContact N-O 3.45Å; I32-V43 PolarHBondContact O-N 3.11Å; T41-V43 HydrophobicContact CG2-CG2 4.15Å
44E79.2Confident68.7Low115 Ų11597.4 Ų97.454%0.53756%0.564SS.*EExtended strand (participates in β ladder)trans-66137.5171-70-167.9150.200110.1R29 P46R29-E44 IonicContact CZ-OE1 3.24Å; R29-E44 VanDerWaalsContact CZ-OE1 3.24Å; R29-E44 IonicContact NE-OE1 2.98Å; R29-E44 PolarHBondContact NE-OE1 3.45Å; R29-E44 IonicContact NH2-OE1 2.7Å; R29-E44 PolarHBondContact NH2-OE1 3.22Å; E44-P46 WeakPolarHBondContact O-CD 3.33Å
45D74.6Confident67.6Low18 Ų18102.2 Ų102.210%0.09658%0.578CS.*  trans-70.2118.9176.8-164-27.3000108.7R22 R30 I32 V47R22-D45 WeakPolarHBondContact CD-OD2 3.46Å; R22-D45 IonicContact CZ-OD2 3.55Å; R22-D45 IonicContact NE-OD2 2.73Å; R22-D45 PolarHBondContact NE-OD2 2.9Å; R22-D45 IonicContact NH2-OD2 3.57Å; R30-D45 HydrophobicContact CB-CB 3.5Å; R30-D45 PolarHBondContact O-N 3.47Å; I32-D45 HydrophobicContact CD1-CB 4.27Å; I32-D45 HydrophobicContact CG1-CB 4.17Å; D45-V47 PolarHBondContact O-N 3.28Å; D45-V47 WeakPolarHBondContact OD1-CG2 3.45Å; D45-V47 PolarHBondContact OD1-N 3.43Å
46P65.6Low67Low118 Ų118102.8 Ų102.877%0.76659%0.594SS**  trans-73.1-7.3-175.729.6-35.4000113.4E44E44-P46 WeakPolarHBondContact O-CD 3.33Å
47V64.1Low66.2Low72 Ų7298.9 Ų98.944%0.43658%0.584SS.*SBendtrans-77.1124177.2-175.30000109.2D45D45-V47 PolarHBondContact O-N 3.28Å; D45-V47 WeakPolarHBondContact OD1-CG2 3.45Å; D45-V47 PolarHBondContact OD1-N 3.43Å
48P60Low65.8Low98 Ų98101.7 Ų101.764%0.63658%0.582SS**  trans-51.9144.9174.5-23.332.4000110.3E50P48-E50 PolarHBondContact O-N 3.3Å
49P57Low65.7Low103 Ų103101.8 Ų101.867%0.66958%0.578SS**  trans-65.392.9171.327.5-30.9000107.5
50E56.8Low66Low141 Ų141101.1 Ų101.166%0.65958%0.577SS**  trans-47.3145.2150.8-71.6-175.8172.300106.7P48 M52P48-E50 PolarHBondContact O-N 3.3Å; E50-M52 HydrophobicContact CB-CG 4.08Å; E50-M52 PolarHBondContact O-N 3.48Å
51K56.6Low66.1Low216 Ų216106.9 Ų106.994%0.93959%0.594SS**  trans-60.971.4172.5-82.6179.9174.5177.40109.1L53K51-L53 PolarHBondContact O-N 3.41Å
52M51.8Low66.4Low99 Ų99105.8 Ų105.849%0.48859%0.586SS.*  trans-86.4107.4176.8-73-135.484.200105R30 E50R30-M52 PolarHBondContact NH2-SD 3.29Å; E50-M52 HydrophobicContact CB-CG 4.08Å; E50-M52 PolarHBondContact O-N 3.48Å
53L53.2Low66.9Low92 Ų92105.2 Ų105.248%0.48258%0.58SS.*  trans-48143.5160.6-61.9160.8000107.4K51 Y55 P57K51-L53 PolarHBondContact O-N 3.41Å; L53-Y55 HydrophobicContact CB-CD1 3.93Å; L53-Y55 HydrophobicContact CB-CD2 4.43Å; L53-Y55 HydrophobicContact CB-CE1 3.67Å; L53-Y55 HydrophobicContact CB-CE2 4.2Å; L53-Y55 HydrophobicContact CB-CG 4.32Å; L53-Y55 HydrophobicContact CD1-CE1 4.44Å; L53-Y55 HydrophobicContact CD1-CE2 4.07Å; L53-Y55 HydrophobicContact CD2-CE1 4.24Å; L53-Y55 HydrophobicContact CG-CE1 4.32Å; L53-Y55 PolarHBondContact O-N 2.88Å; L53-Y55 VanDerWaalsContact O-O 3.06Å; L53-P57 HydrophobicContact CD1-CB 4.47Å
54G59.8Low67.3Low93 Ų93106.9 Ų106.996%0.95958%0.582SS**SBendtrans-6415.8179.700000114.8
55Y58Low68.1Low148 Ų148102.5 Ų102.558%0.5856%0.563SS**SBendtrans-146159.1-179.160.1-92.1000109.2L53 P57L53-Y55 HydrophobicContact CB-CD1 3.93Å; L53-Y55 HydrophobicContact CB-CD2 4.43Å; L53-Y55 HydrophobicContact CB-CE1 3.67Å; L53-Y55 HydrophobicContact CB-CE2 4.2Å; L53-Y55 HydrophobicContact CB-CG 4.32Å; L53-Y55 HydrophobicContact CD1-CE1 4.44Å; L53-Y55 HydrophobicContact CD1-CE2 4.07Å; L53-Y55 HydrophobicContact CD2-CE1 4.24Å; L53-Y55 HydrophobicContact CG-CE1 4.32Å; L53-Y55 PolarHBondContact O-N 2.88Å; L53-Y55 VanDerWaalsContact O-O 3.06Å; Y55-P57 HydrophobicContact CE2-CB 4.33Å; Y55-P57 VanDerWaalsContact O-CD 3.29Å; Y55-P57 WeakPolarHBondContact O-CD 3.32Å
56V60.3Low69.2Low133 Ų133101.8 Ų101.881%0.80656%0.56SS**  trans-79.3115.2171.9-179.30000107.9D58V56-D58 PolarHBondContact O-N 2.9Å
57P56.2Low70.7Confident61 Ų61101.7 Ų101.740%0.39655%0.548SS..  trans-67.6126.9175.426-30.5000109.4L53 Y55 T59L53-P57 HydrophobicContact CD1-CB 4.47Å; Y55-P57 HydrophobicContact CE2-CB 4.33Å; Y55-P57 VanDerWaalsContact O-CD 3.29Å; Y55-P57 WeakPolarHBondContact O-CD 3.32Å; P57-T59 PolarHBondContact O-N 3.43Å
58D64Low72.3Confident129 Ų12998.7 Ų98.769%0.6953%0.53SS*.  trans-69.4126.7166.7-168.2-11.4000108.1V56 S60V56-D58 PolarHBondContact O-N 2.9Å; D58-S60 VanDerWaalsContact CG-OG 3.25Å; D58-S60 WeakPolarHBondContact OD1-CB 3.42Å; D58-S60 PolarHBondContact OD1-N 3.16Å; D58-S60 PolarHBondContact OD1-OG 3.39Å; D58-S60 PolarHBondContact OD2-OG 3.5Å
59T67.9Low74.1Confident121 Ų12196.1 Ų96.174%0.74251%0.508SS*.  trans-106.42.4-178.549.70000112P57P57-T59 PolarHBondContact O-N 3.43Å
60S74.9Confident76Confident75 Ų7597 Ų9752%0.52452%0.515SS..SBendtrans-70.9130.2172.7660000109.9D58 D62D58-S60 VanDerWaalsContact CG-OG 3.25Å; D58-S60 WeakPolarHBondContact OD1-CB 3.42Å; D58-S60 PolarHBondContact OD1-N 3.16Å; D58-S60 PolarHBondContact OD1-OG 3.39Å; D58-S60 PolarHBondContact OD2-OG 3.5Å; S60-D62 PolarHBondContact O-N 2.95Å
61W80Confident77.9Confident193 Ų19391.9 Ų91.973%0.73149%0.489SS*.  trans-72.5124.9180-66.756.3000108.8D79W61-D79 VanDerWaalsContact CA-OD2 3.31Å; W61-D79 WeakPolarHBondContact CA-OD2 3.18Å; W61-D79 HydrophobicContact CE3-CB 4.04Å
62D87.3Confident79.9Confident37 Ų3781.6 Ų81.620%0.19844%0.444CS..  trans-101.985.6175.3-171.711.2000110.9S60 Q64 G76 S77 D79 R184S60-D62 PolarHBondContact O-N 2.95Å; D62-Q64 PolarHBondContact O-N 3.47Å; D62-Q64 WeakPolarHBondContact OD1-CB 3.45Å; D62-Q64 VanDerWaalsContact OD1-CG 3.24Å; D62-Q64 WeakPolarHBondContact OD1-CG 3.24Å; D62-Q64 PolarHBondContact OD1-N 3.32Å; D62-G76 VanDerWaalsContact OD2-C 3.29Å; D62-G76 WeakPolarHBondContact OD2-CA 3.33Å; D62-S77 PolarHBondContact O-OG 3.01Å; D62-D79 PolarHBondContact N-OD2 3.18Å; D62-R184 IonicContact OD1-NH2 3.25Å; D62-R184 PolarHBondContact OD1-NH2 3.09Å; D62-R184 IonicContact OD2-CZ 3.74Å; D62-R184 IonicContact OD2-NE 4Å; D62-R184 IonicContact OD2-NH2 2.71Å; D62-R184 PolarHBondContact OD2-NH2 3.09Å
63L91.8Very high82.1Confident67 Ų6776.9 Ų76.935%0.35142%0.421SS..  trans-83.36.3174.2-57.9-178000113.1D79 D83L63-D79 HydrophobicContact CD2-CB 3.84Å; L63-D79 WeakPolarHBondContact CD2-O 3.14Å; L63-D83 HydrophobicContact CD2-CB 3.78Å
64Q93.7Very high84.2Confident116 Ų11672.5 Ų72.554%0.54240%0.398SS..  trans-68.9145-178.8-60.5-178.123.700110.6D62 G76 R184D62-Q64 PolarHBondContact O-N 3.47Å; D62-Q64 WeakPolarHBondContact OD1-CB 3.45Å; D62-Q64 VanDerWaalsContact OD1-CG 3.24Å; D62-Q64 WeakPolarHBondContact OD1-CG 3.24Å; D62-Q64 PolarHBondContact OD1-N 3.32Å; Q64-G76 WeakPolarHBondContact O-CA 3.3Å; Q64-G76 PolarHBondContact O-N 3.38Å; Q64-R184 VanDerWaalsContact OE1-CZ 3.31Å
65V96.6Very high85.9Confident22 Ų2268.1 Ų68.113%0.13335%0.353CS..EExtended strand (participates in β ladder)trans-129.5122.1178.71800000108.6L73 L74 A80 T86 L147V65-L73 HydrophobicContact CG1-CB 3.72Å; V65-L73 HydrophobicContact CG1-CD1 4.03Å; V65-L73 HydrophobicContact CG1-CG 4.31Å; V65-L74 WeakPolarHBondContact CA-O 3.29Å; V65-A80 HydrophobicContact CG2-CB 4.19Å; V65-T86 HydrophobicContact CG2-CG2 3.74Å; V65-L147 HydrophobicContact CG1-CD1 3.94Å; V65-L147 HydrophobicContact CG2-CD1 4.42Å
66G96.8Very high87.2Confident3 Ų361.1 Ų61.13%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-85.7133.5173.800000111.1L73 L74 A183G66-L73 CarbonylContact O-C 3.44Å; G66-L73 WeakPolarHBondContact O-CA 3.25Å; G66-L74 PolarHBondContact N-O 3.43Å; G66-L74 PolarHBondContact O-N 2.91Å; G66-A183 VanDerWaalsContact CA-O 3.27Å; G66-A183 WeakPolarHBondContact CA-O 3.22Å
67F97.7Very high88.7Confident117 Ų11755.2 Ų55.251%0.51329%0.29SS..EExtended strand (participates in β ladder)trans-96.3100.6177.2-69.2-102000109.4L73 H90F67-L73 HydrophobicContact CB-CD2 4.35Å; F67-L73 HydrophobicContact CD1-CD2 3.25Å; F67-L73 HydrophobicContact CE1-CD2 3.61Å; F67-L73 HydrophobicContact CG-CD2 3.84Å; F67-L73 HydrophobicContact CZ-CD2 4.45Å; F67-H90 AromaticContact CE2-CE1 3.98Å; F67-H90 AromaticContact CZ-CE1 3.59Å; F67-H90 AromaticContact CZ-ND1 3.34Å; F67-H90 VanDerWaalsContact CZ-ND1 3.34Å; F67-H90 WeakPolarHBondContact CZ-ND1 3.16Å
68V97.9Very high90.6Very high9 Ų955 Ų556%0.05528%0.284CS..EExtended strand (participates in β ladder)trans-83-43.8179.1-177.80000109.7L72 L74 V161 L165 L179 V180 A183V68-L72 HydrophobicContact CB-CG 4.44Å; V68-L72 HydrophobicContact CG1-CD2 4.39Å; V68-L72 PolarHBondContact N-O 2.88Å; V68-L72 VanDerWaalsContact N-O 3.08Å; V68-L74 HydrophobicContact CG2-CB 4.07Å; V68-V161 HydrophobicContact CB-CG1 4.38Å; V68-V161 HydrophobicContact CG1-CG1 3.89Å; V68-V161 HydrophobicContact CG2-CG1 4.11Å; V68-L165 HydrophobicContact CG1-CD1 3.85Å; V68-L165 HydrophobicContact CG1-CD2 4.32Å; V68-L179 HydrophobicContact CG1-CD2 3.89Å; V68-L179 HydrophobicContact CG1-CG 4.06Å; V68-V180 HydrophobicContact CG1-CG2 4.24Å; V68-V180 HydrophobicContact CG2-CG2 4.45Å; V68-A183 HydrophobicContact CG2-CB 3.74Å
69K96.9Very high92Very high43 Ų4350.4 Ų50.419%0.18726%0.259CS..EExtended strand (participates in β ladder)trans-143.2167.2169.7-68.4-176.5-179.4-97.60109.5Y71 L72 L165 D169K69-Y71 HydrophobicContact CB-CD1 4.29Å; K69-Y71 HydrophobicContact CB-CE1 4.03Å; K69-Y71 HydrophobicContact CD-CE1 3.93Å; K69-Y71 WeakPolarHBondContact CD-OH 3.32Å; K69-Y71 PolarHBondContact O-N 3.23Å; K69-L72 HydrophobicContact CB-CB 4.1Å; K69-L72 PolarHBondContact N-O 3.5Å; K69-L72 CarbonylContact O-C 3.57Å; K69-L72 PolarHBondContact O-N 2.98Å; K69-L165 HydrophobicContact CD-CD2 4.15Å; K69-D169 VanDerWaalsContact CE-CG 3.48Å; K69-D169 WeakPolarHBondContact CE-OD1 3.24Å; K69-D169 WeakPolarHBondContact CE-OD2 3.43Å; K69-D169 IonicContact NZ-OD1 3.27Å; K69-D169 PolarHBondContact NZ-OD1 3.38Å; K69-D169 IonicContact NZ-OD2 3.62Å; K69-D169 PolarHBondContact NZ-OD2 3.07Å
70P96.7Very high93.3Very high123 Ų12344.6 Ų44.680%0.79922%0.224SC*.THydrogen-bonded Turntrans-54.9-27.6179.6-29.136.7000115.3
71Y97.6Very high94.3Very high32 Ų3241.1 Ų41.113%0.12520%0.199CC..THydrogen-bonded Turntrans-108.3-2.3179.764.5-92000113.5K69 I136 R140 V146 Y164K69-Y71 HydrophobicContact CB-CD1 4.29Å; K69-Y71 HydrophobicContact CB-CE1 4.03Å; K69-Y71 HydrophobicContact CD-CE1 3.93Å; K69-Y71 WeakPolarHBondContact CD-OH 3.32Å; K69-Y71 PolarHBondContact O-N 3.23Å; Y71-I136 HydrophobicContact CE2-CG2 4.22Å; Y71-R140 HydrophobicContact CD1-CG 4.22Å; Y71-R140 HydrophobicContact CD2-CB 3.96Å; Y71-R140 HydrophobicContact CD2-CG 4.01Å; Y71-R140 HydrophobicContact CE1-CG 4.17Å; Y71-R140 HydrophobicContact CE2-CB 4.05Å; Y71-R140 HydrophobicContact CE2-CG 3.97Å; Y71-R140 HydrophobicContact CG-CB 4.45Å; Y71-R140 HydrophobicContact CG-CG 4.15Å; Y71-R140 PolarHBondContact OH-NH1 3.27Å; Y71-V146 PolarHBondContact O-N 3.47Å; Y71-Y164 HydrophobicContact CE2-CE1 4.34Å; Y71-Y164 WeakPolarHBondContact CE2-OH 3.32Å; Y71-Y164 PolarHBondContact OH-OH 2.61Å
72L98.5Very high95.1Very high0 Ų034.6 Ų34.60%018%0.177CC..EExtended strand (participates in β ladder)trans-129.8109.5-173-177.761000110.3V68 K69 I136 V146 V148 V161 Y164V68-L72 HydrophobicContact CB-CG 4.44Å; V68-L72 HydrophobicContact CG1-CD2 4.39Å; V68-L72 PolarHBondContact N-O 2.88Å; V68-L72 VanDerWaalsContact N-O 3.08Å; K69-L72 HydrophobicContact CB-CB 4.1Å; K69-L72 PolarHBondContact N-O 3.5Å; K69-L72 CarbonylContact O-C 3.57Å; K69-L72 PolarHBondContact O-N 2.98Å; L72-I136 HydrophobicContact CD1-CD1 4.25Å; L72-I136 HydrophobicContact CD1-CG1 4.45Å; L72-I136 HydrophobicContact CD1-CG2 4.07Å; L72-V146 HydrophobicContact CD1-CB 4.35Å; L72-V148 HydrophobicContact CD1-CG2 3.7Å; L72-V161 HydrophobicContact CD2-CG1 3.98Å; L72-Y164 HydrophobicContact CD2-CD1 3.54Å; L72-Y164 HydrophobicContact CD2-CE1 3.69Å
73L98.5Very high95.6Very high1 Ų135.4 Ų35.41%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-111.8146.8-177.9-51.9-176.1000110.2V65 G66 F67 H90 V92 V145 V146 L147 V148V65-L73 HydrophobicContact CG1-CB 3.72Å; V65-L73 HydrophobicContact CG1-CD1 4.03Å; V65-L73 HydrophobicContact CG1-CG 4.31Å; G66-L73 CarbonylContact O-C 3.44Å; G66-L73 WeakPolarHBondContact O-CA 3.25Å; F67-L73 HydrophobicContact CB-CD2 4.35Å; F67-L73 HydrophobicContact CD1-CD2 3.25Å; F67-L73 HydrophobicContact CE1-CD2 3.61Å; F67-L73 HydrophobicContact CG-CD2 3.84Å; F67-L73 HydrophobicContact CZ-CD2 4.45Å; L73-H90 HydrophobicContact CD1-CB 3.78Å; L73-V92 HydrophobicContact CD1-CG2 4.13Å; L73-V145 HydrophobicContact CD1-CG1 3.53Å; L73-V145 HydrophobicContact CG-CG1 3.72Å; L73-V146 WeakPolarHBondContact CB-O 3.41Å; L73-V146 PolarHBondContact N-O 2.93Å; L73-L147 HydrophobicContact CB-CD1 3.74Å; L73-V148 PolarHBondContact O-N 2.9Å
74L97.9Very high95.8Very high0 Ų036.3 Ų36.30%018%0.183CC..EExtended strand (participates in β ladder)trans-117118.9176.9177.964.6000109V65 G66 V68 A157 P158 V161 V180 R184 S187V65-L74 WeakPolarHBondContact CA-O 3.29Å; G66-L74 PolarHBondContact N-O 3.43Å; G66-L74 PolarHBondContact O-N 2.91Å; V68-L74 HydrophobicContact CG2-CB 4.07Å; L74-A157 HydrophobicContact CD1-CB 3.74Å; L74-P158 HydrophobicContact CD1-CG 4.1Å; L74-P158 HydrophobicContact CD2-CB 4.34Å; L74-P158 HydrophobicContact CD2-CG 3.93Å; L74-V161 HydrophobicContact CD1-CG2 4.21Å; L74-V180 HydrophobicContact CD2-CG1 3.96Å; L74-R184 HydrophobicContact CD2-CB 3.89Å; L74-R184 HydrophobicContact CD2-CG 4.45Å; L74-S187 WeakPolarHBondContact CD2-OG 3.46Å
75A93.8Very high95.9Very high0 Ų032.8 Ų32.80%018%0.177CC..EExtended strand (participates in β ladder)trans-72.9143.2178.100000111.6S77 A80 L147 V148 H149 G153A75-S77 VanDerWaalsContact C-N 3.33Å; A75-S77 WeakPolarHBondContact CB-O 3.43Å; A75-A80 HydrophobicContact CB-CB 4.1Å; A75-L147 HydrophobicContact CB-CD1 3.92Å; A75-L147 HydrophobicContact CB-CD2 4.3Å; A75-L147 HydrophobicContact CB-CG 4.14Å; A75-V148 PolarHBondContact N-O 3.46Å; A75-H149 HydrophobicContact CB-CB 3.45Å; A75-H149 VanDerWaalsContact CB-CB 3.45Å; A75-G153 WeakPolarHBondContact O-CA 3.12Å
76G85.9Confident95.9Very high1 Ų132.4 Ų32.41%0.0118%0.175CC..SBendtrans-68-33.2170.900000112.6D62 Q64 A152 G153D62-G76 VanDerWaalsContact OD2-C 3.29Å; D62-G76 WeakPolarHBondContact OD2-CA 3.33Å; Q64-G76 WeakPolarHBondContact O-CA 3.3Å; Q64-G76 PolarHBondContact O-N 3.38Å; G76-A152 CarbonylContact O-C 3.12Å; G76-G153 VanDerWaalsContact O-CA 3.25Å; G76-G153 WeakPolarHBondContact O-CA 3.05Å; G76-G153 PolarHBondContact O-N 3.4Å
77S92.8Very high96Very high9 Ų932.3 Ų32.36%0.06317%0.174CC..SBendtrans-159.2-176.9172.870.20000110.4D62 A75 D79 A80 N151D62-S77 PolarHBondContact O-OG 3.01Å; A75-S77 VanDerWaalsContact C-N 3.33Å; A75-S77 WeakPolarHBondContact CB-O 3.43Å; S77-D79 PolarHBondContact O-N 3.03Å; S77-D79 VanDerWaalsContact OG-CB 3.25Å; S77-D79 WeakPolarHBondContact OG-CB 3.31Å; S77-D79 VanDerWaalsContact OG-CG 3.24Å; S77-D79 PolarHBondContact OG-N 3.02Å; S77-D79 PolarHBondContact OG-OD2 3.2Å; S77-D79 VanDerWaalsContact OG-OD2 3.14Å; S77-A80 PolarHBondContact O-N 3.43Å; S77-N151 WeakPolarHBondContact CA-O 3.32Å; S77-N151 WeakPolarHBondContact CB-O 3.43Å
78Q94.7Very high96Very high58 Ų5835.6 Ų35.627%0.27118%0.183SC..Hα-helixtrans-58.5-26.4167.466.8-171.86.400112.8A80 A81 H82 V102 C150 N151Q78-A80 VanDerWaalsContact C-N 3.27Å; Q78-A80 PolarHBondContact O-N 2.89Å; Q78-A81 CarbonylContact O-C 3.56Å; Q78-A81 WeakPolarHBondContact O-CA 3.4Å; Q78-A81 WeakPolarHBondContact O-CB 3.46Å; Q78-A81 PolarHBondContact O-N 2.81Å; Q78-H82 PolarHBondContact O-N 2.84Å; Q78-V102 HydrophobicContact CB-CG1 4.06Å; Q78-C150 PolarHBondContact N-O 2.98Å; Q78-N151 PolarHBondContact N-O 2.88Å
79D95.1Very high95.9Very high31 Ų3142.8 Ų42.817%0.16621%0.214CC..Hα-helixtrans-60.6-39.7-176.8-53.3-28.4000111W61 D62 L63 S77 A81 H82 D83W61-D79 VanDerWaalsContact CA-OD2 3.31Å; W61-D79 WeakPolarHBondContact CA-OD2 3.18Å; W61-D79 HydrophobicContact CE3-CB 4.04Å; D62-D79 PolarHBondContact N-OD2 3.18Å; L63-D79 HydrophobicContact CD2-CB 3.84Å; L63-D79 WeakPolarHBondContact CD2-O 3.14Å; S77-D79 PolarHBondContact O-N 3.03Å; S77-D79 VanDerWaalsContact OG-CB 3.25Å; S77-D79 WeakPolarHBondContact OG-CB 3.31Å; S77-D79 VanDerWaalsContact OG-CG 3.24Å; S77-D79 PolarHBondContact OG-N 3.02Å; S77-D79 PolarHBondContact OG-OD2 3.2Å; S77-D79 VanDerWaalsContact OG-OD2 3.14Å; D79-A81 VanDerWaalsContact C-N 3.26Å; D79-A81 PolarHBondContact O-N 2.88Å; D79-H82 CarbonylContact O-C 3.14Å; D79-H82 PolarHBondContact O-N 2.95Å; D79-H82 VanDerWaalsContact O-N 3.09Å; D79-D83 WeakPolarHBondContact O-CB 3.28Å; D79-D83 PolarHBondContact O-N 3.21Å
80A95.2Very high95.9Very high0 Ų042.5 Ų42.50%021%0.213CC..Hα-helixtrans-64.9-30.1175.700000112.8V65 A75 S77 Q78 T86V65-A80 HydrophobicContact CG2-CB 4.19Å; A75-A80 HydrophobicContact CB-CB 4.1Å; S77-A80 PolarHBondContact O-N 3.43Å; Q78-A80 VanDerWaalsContact C-N 3.27Å; Q78-A80 PolarHBondContact O-N 2.89Å; A80-T86 HydrophobicContact CB-CG2 4.33Å
81A95.9Very high96Very high1 Ų144.8 Ų44.81%0.00821%0.21CC..Hα-helixtrans-81.6-18.1174.800000112.7Q78 D79 L147 H149Q78-A81 CarbonylContact O-C 3.56Å; Q78-A81 WeakPolarHBondContact O-CA 3.4Å; Q78-A81 WeakPolarHBondContact O-CB 3.46Å; Q78-A81 PolarHBondContact O-N 2.81Å; D79-A81 VanDerWaalsContact C-N 3.26Å; D79-A81 PolarHBondContact O-N 2.88Å; A81-L147 HydrophobicContact CB-CD2 4.17Å; A81-H149 HydrophobicContact CB-CB 4.21Å; A81-H149 WeakPolarHBondContact CB-CD2 3.16Å
82H96.2Very high96Very high56 Ų5643.8 Ų43.826%0.25921%0.207SC..Hα-helixtrans-97.3-8.5177.9-66-176.8000112.8Q78 D79 E103 V105 F106Q78-H82 PolarHBondContact O-N 2.84Å; D79-H82 CarbonylContact O-C 3.14Å; D79-H82 PolarHBondContact O-N 2.95Å; D79-H82 VanDerWaalsContact O-N 3.09Å; H82-E103 PolarHBondContact NE2-O 2.93Å; H82-E103 VanDerWaalsContact NE2-O 3.07Å; H82-V105 HydrophobicContact CB-CG2 4.08Å; H82-V105 WeakPolarHBondContact CD2-CG2 3.4Å; H82-V105 WeakPolarHBondContact NE2-CG2 3.49Å; H82-F106 VanDerWaalsContact O-CE2 3.29Å; H82-F106 WeakPolarHBondContact O-CE2 3.15Å; H82-F106 VanDerWaalsContact O-CZ 3.3Å; H82-F106 WeakPolarHBondContact O-CZ 3.19Å
83D96.7Very high96Very high54 Ų5445.8 Ų45.829%0.28922%0.221SC..  trans-96.9107.6175.6-179.650.8000112.6L63 D79 G85 T86 L87L63-D83 HydrophobicContact CD2-CB 3.78Å; D79-D83 WeakPolarHBondContact O-CB 3.28Å; D79-D83 PolarHBondContact O-N 3.21Å; D83-G85 PolarHBondContact O-N 3.08Å; D83-T86 PolarHBondContact O-N 2.89Å; D83-T86 WeakPolarHBondContact OD2-CB 3.46Å; D83-T86 PolarHBondContact OD2-N 3.29Å; D83-T86 PolarHBondContact OD2-OG1 3.15Å; D83-L87 WeakPolarHBondContact O-CG 3.1Å; D83-L87 PolarHBondContact O-N 3.47Å; D83-L87 VanDerWaalsContact O-N 3.09Å
84F96.4Very high96Very high86 Ų8646 Ų4638%0.37722%0.222SC..Hα-helixtrans-59.1-34.3178.4-174.8-104.5000112.8L87 R88 F106 L109 F110F84-L87 PolarHBondContact O-N 2.77Å; F84-R88 VanDerWaalsContact O-CB 3.32Å; F84-R88 WeakPolarHBondContact O-CB 3.43Å; F84-R88 PolarHBondContact O-N 3.3Å; F84-F106 HydrophobicContact CB-CE1 4.14Å; F84-F106 HydrophobicContact CB-CE2 4.12Å; F84-F106 HydrophobicContact CB-CZ 3.7Å; F84-L109 HydrophobicContact CD2-CD1 4.21Å; F84-L109 HydrophobicContact CE2-CD1 3.76Å; F84-F110 HydrophobicContact CD2-CE2 4.05Å; F84-F110 HydrophobicContact CD2-CZ 4.04Å; F84-F110 HydrophobicContact CE2-CE2 4.14Å; F84-F110 AromaticContact CE2-CZ 3.97Å; F84-F110 HydrophobicContact CE2-CZ 3.97Å
85G96.9Very high96.1Very high42 Ų4246 Ų4643%0.43322%0.222SC..Hα-helixtrans-61.5-46.9178.600000111.9D83 R88 K89D83-G85 PolarHBondContact O-N 3.08Å; G85-R88 PolarHBondContact O-N 3.18Å; G85-K89 WeakPolarHBondContact O-CB 3.46Å; G85-K89 PolarHBondContact O-N 3.48Å
86T96.6Very high96.3Very high14 Ų1446 Ų469%0.08622%0.222CC..Hα-helixtrans-63.2-48.8176.5-640000111.1V65 A80 D83 R88 K89 H90V65-T86 HydrophobicContact CG2-CG2 3.74Å; A80-T86 HydrophobicContact CB-CG2 4.33Å; D83-T86 PolarHBondContact O-N 2.89Å; D83-T86 WeakPolarHBondContact OD2-CB 3.46Å; D83-T86 PolarHBondContact OD2-N 3.29Å; D83-T86 PolarHBondContact OD2-OG1 3.15Å; T86-R88 PolarHBondContact O-N 3.17Å; T86-K89 PolarHBondContact O-N 2.91Å; T86-H90 PolarHBondContact O-CD2 2.87Å; T86-H90 PolarHBondContact O-N 3.3Å
87L97.8Very high96.9Very high1 Ų145.9 Ų45.91%0.00522%0.222CC..Hα-helixtrans-56.9-47.9177.3-65.5175.5000111.9D83 F84 H90 K91 V92 I95 F106 F110 L147D83-L87 WeakPolarHBondContact O-CG 3.1Å; D83-L87 PolarHBondContact O-N 3.47Å; D83-L87 VanDerWaalsContact O-N 3.09Å; F84-L87 PolarHBondContact O-N 2.77Å; L87-H90 PolarHBondContact O-N 3.4Å; L87-K91 PolarHBondContact O-N 3.25Å; L87-K91 VanDerWaalsContact O-N 3.09Å; L87-V92 HydrophobicContact CB-CB 4.34Å; L87-V92 HydrophobicContact CD2-CB 3.97Å; L87-V92 HydrophobicContact CD2-CG1 3.96Å; L87-V92 HydrophobicContact CD2-CG2 4Å; L87-V92 PolarHBondContact O-N 3.41Å; L87-I95 HydrophobicContact CD1-CD1 3.85Å; L87-I95 HydrophobicContact CD2-CD1 3.83Å; L87-I95 HydrophobicContact CD2-CG1 4.38Å; L87-F106 HydrophobicContact CD1-CD2 3.63Å; L87-F106 HydrophobicContact CD1-CE2 3.91Å; L87-F110 HydrophobicContact CB-CE1 3.86Å; L87-F110 HydrophobicContact CB-CE2 4.45Å; L87-F110 HydrophobicContact CB-CZ 3.59Å; L87-F110 HydrophobicContact CD1-CD2 4.19Å; L87-F110 HydrophobicContact CD1-CE1 4.18Å; L87-F110 HydrophobicContact CD1-CE2 3.57Å; L87-F110 HydrophobicContact CD1-CZ 3.57Å; L87-F110 HydrophobicContact CG-CZ 4.2Å; L87-L147 HydrophobicContact CD2-CD2 3.55Å
88R97.3Very high97.2Very high187 Ų18745.5 Ų45.571%0.70622%0.219SC*.Hα-helixtrans-66.4-42.8179.1-173.7-179.3175.7-166.8-0.2112.2F84 G85 T86 H90 K91F84-R88 VanDerWaalsContact O-CB 3.32Å; F84-R88 WeakPolarHBondContact O-CB 3.43Å; F84-R88 PolarHBondContact O-N 3.3Å; G85-R88 PolarHBondContact O-N 3.18Å; T86-R88 PolarHBondContact O-N 3.17Å; R88-H90 PolarHBondContact O-N 3.45Å; R88-K91 PolarHBondContact O-N 3.09Å; R88-K91 VanDerWaalsContact O-N 3.09Å
89K97.3Very high97.2Very high160 Ų16042.8 Ų42.870%0.69621%0.206SC*.Hα-helixtrans-56.5-40.1177.3177.8-175.6177.2-173.20111.4G85 T86G85-K89 WeakPolarHBondContact O-CB 3.46Å; G85-K89 PolarHBondContact O-N 3.48Å; T86-K89 PolarHBondContact O-N 2.91Å
90H97.4Very high97Very high37 Ų3746.8 Ų46.817%0.17122%0.222CC..THydrogen-bonded Turntrans-925.1-179.1-65.1-58.2000114F67 L73 T86 L87 R88 V92F67-H90 AromaticContact CE2-CE1 3.98Å; F67-H90 AromaticContact CZ-CE1 3.59Å; F67-H90 AromaticContact CZ-ND1 3.34Å; F67-H90 VanDerWaalsContact CZ-ND1 3.34Å; F67-H90 WeakPolarHBondContact CZ-ND1 3.16Å; L73-H90 HydrophobicContact CD1-CB 3.78Å; T86-H90 PolarHBondContact O-CD2 2.87Å; T86-H90 PolarHBondContact O-N 3.3Å; L87-H90 PolarHBondContact O-N 3.4Å; R88-H90 PolarHBondContact O-N 3.45Å; H90-V92 HydrophobicContact CB-CG2 4.06Å; H90-V92 PolarHBondContact O-N 3.24Å
91K97.5Very high96.9Very high170 Ų17050.1 Ų50.174%0.73926%0.257SS*.THydrogen-bonded Turntrans53.635.7-179.8-54.9179.9-178.4178.60112.6L87 R88 S93 V145L87-K91 PolarHBondContact O-N 3.25Å; L87-K91 VanDerWaalsContact O-N 3.09Å; R88-K91 PolarHBondContact O-N 3.09Å; R88-K91 VanDerWaalsContact O-N 3.09Å; K91-S93 PolarHBondContact O-N 2.94Å; K91-V145 WeakPolarHBondContact O-CB 3.5Å
92V98.4Very high96.7Very high12 Ų1250.8 Ų50.87%0.07326%0.261CS..  trans-61.3132.7176.7179.40000108.5L73 L87 H90 H94 I95 F110 L147L73-V92 HydrophobicContact CD1-CG2 4.13Å; L87-V92 HydrophobicContact CB-CB 4.34Å; L87-V92 HydrophobicContact CD2-CB 3.97Å; L87-V92 HydrophobicContact CD2-CG1 3.96Å; L87-V92 HydrophobicContact CD2-CG2 4Å; L87-V92 PolarHBondContact O-N 3.41Å; H90-V92 HydrophobicContact CB-CG2 4.06Å; H90-V92 PolarHBondContact O-N 3.24Å; V92-H94 VanDerWaalsContact CG1-O 3.25Å; V92-H94 WeakPolarHBondContact CG1-O 3.37Å; V92-I95 HydrophobicContact CG1-CD1 4.37Å; V92-I95 HydrophobicContact CG1-CG1 3.73Å; V92-F110 HydrophobicContact CB-CE1 4.44Å; V92-F110 HydrophobicContact CG1-CD1 4.38Å; V92-F110 WeakPolarHBondContact O-CD1 3.42Å; V92-F110 VanDerWaalsContact O-CE1 3.22Å; V92-F110 WeakPolarHBondContact O-CE1 3.4Å; V92-L147 HydrophobicContact CG1-CB 3.83Å; V92-L147 HydrophobicContact CG2-CB 4.06Å
93S98.4Very high96.6Very high41 Ų4155.9 Ų55.929%0.28729%0.285SS..  trans-117.6-25.7172.159.30000112.3K91 I111 G144 V145K91-S93 PolarHBondContact O-N 2.94Å; S93-I111 PolarHBondContact O-N 3.03Å; S93-G144 WeakPolarHBondContact OG-CA 3.29Å; S93-V145 PolarHBondContact N-O 3.09Å; S93-V145 PolarHBondContact OG-N 3.36Å; S93-V145 VanDerWaalsContact OG-N 3.11Å
94H98.7Very high96.6Very high5 Ų555.4 Ų55.42%0.02328%0.283CS..EExtended strand (participates in β ladder)trans-125.2139.6-177.7-69.574.9000110.5V92 I111 F135 A139 E142 V145 V146 L147V92-H94 VanDerWaalsContact CG1-O 3.25Å; V92-H94 WeakPolarHBondContact CG1-O 3.37Å; H94-I111 CarbonylContact C-O 3.59Å; H94-I111 VanDerWaalsContact CA-O 3.28Å; H94-I111 WeakPolarHBondContact CA-O 3.34Å; H94-I111 WeakPolarHBondContact NE2-CD1 3.2Å; H94-F135 HydrophobicContact CB-CE1 3.99Å; H94-F135 HydrophobicContact CB-CZ 3.8Å; H94-F135 AromaticContact CD2-CE2 3.93Å; H94-F135 AromaticContact CD2-CZ 3.8Å; H94-A139 HydrophobicContact CB-CB 3.93Å; H94-A139 VanDerWaalsContact CG-CB 3.45Å; H94-E142 IonicContact CE1-OE2 3.06Å; H94-E142 PolarHBondContact CE1-OE2 3.02Å; H94-E142 IonicContact NE2-OE2 3.28Å; H94-E142 PolarHBondContact NE2-OE2 3.05Å; H94-V145 PolarHBondContact N-O 3.16Å; H94-V146 HydrophobicContact CB-CB 4.42Å; H94-V146 HydrophobicContact CB-CG1 4.45Å; H94-V146 HydrophobicContact CB-CG2 3.96Å; H94-V146 CarbonylContact O-C 3.57Å; H94-V146 VanDerWaalsContact O-CA 3.31Å; H94-V146 WeakPolarHBondContact O-CA 3.27Å; H94-L147 PolarHBondContact O-N 3.43Å
95I98.7Very high96.6Very high0 Ų054.6 Ų54.60%028%0.284CS..EExtended strand (participates in β ladder)trans-128.1119.6178.4-59.8170.3000109.2L87 V92 F110 I111 Y112 R113 L147L87-I95 HydrophobicContact CD1-CD1 3.85Å; L87-I95 HydrophobicContact CD2-CD1 3.83Å; L87-I95 HydrophobicContact CD2-CG1 4.38Å; V92-I95 HydrophobicContact CG1-CD1 4.37Å; V92-I95 HydrophobicContact CG1-CG1 3.73Å; I95-F110 HydrophobicContact CD1-CB 3.87Å; I95-F110 HydrophobicContact CD1-CD1 4.21Å; I95-F110 HydrophobicContact CD1-CD2 4.1Å; I95-F110 HydrophobicContact CD1-CG 3.8Å; I95-F110 HydrophobicContact CG1-CB 4.31Å; I95-I111 PolarHBondContact N-O 3.24Å; I95-Y112 HydrophobicContact CB-CD1 3.69Å; I95-Y112 HydrophobicContact CB-CE1 3.55Å; I95-Y112 HydrophobicContact CB-CG 4.39Å; I95-Y112 HydrophobicContact CD1-CE1 3.77Å; I95-Y112 HydrophobicContact CD1-CE2 4.17Å; I95-Y112 VanDerWaalsContact CD1-CZ 3.49Å; I95-Y112 WeakPolarHBondContact CD1-OH 3.37Å; I95-Y112 HydrophobicContact CG1-CE1 4.24Å; I95-Y112 HydrophobicContact CG2-CD1 3.84Å; I95-Y112 HydrophobicContact CG2-CE1 3.5Å; I95-Y112 WeakPolarHBondContact O-CA 3.33Å; I95-R113 PolarHBondContact O-N 3.01Å; I95-L147 WeakPolarHBondContact CA-O 3.29Å
96L98.7Very high96.6Very high0 Ų054.6 Ų54.60%027%0.273CS..EExtended strand (participates in β ladder)trans-100103.4173.6179.358.4000108.7V98 R113 V115 C132 F135 I136 V146 L147 V148 H149 V160L96-V98 HydrophobicContact CD1-CG1 4.13Å; L96-V98 HydrophobicContact CD2-CG1 4.32Å; L96-V98 HydrophobicContact CG-CG1 3.89Å; L96-R113 WeakPolarHBondContact CA-O 3.46Å; L96-R113 HydrophobicContact CD1-CB 3.92Å; L96-R113 HydrophobicContact CD1-CG 3.97Å; L96-V115 HydrophobicContact CD1-CG2 4.22Å; L96-C132 HydrophobicContact CD2-CB 4.02Å; L96-F135 HydrophobicContact CB-CD1 3.88Å; L96-F135 HydrophobicContact CB-CE1 3.83Å; L96-F135 HydrophobicContact CD1-CD1 4.15Å; L96-F135 HydrophobicContact CG-CD1 4.39Å; L96-I136 HydrophobicContact CD2-CD1 3.99Å; L96-I136 HydrophobicContact CD2-CG1 4.1Å; L96-V146 HydrophobicContact CB-CG1 4.28Å; L96-L147 PolarHBondContact N-O 3.29Å; L96-V148 HydrophobicContact CB-CG1 4.32Å; L96-V148 HydrophobicContact CB-CG2 4.19Å; L96-V148 HydrophobicContact CD2-CG1 4.07Å; L96-V148 HydrophobicContact CD2-CG2 4.16Å; L96-V148 HydrophobicContact CG-CG1 4.21Å; L96-V148 WeakPolarHBondContact O-CA 3.45Å; L96-H149 PolarHBondContact O-N 2.76Å; L96-V160 HydrophobicContact CD2-CG1 4.07Å
97N98.4Very high96.5Very high0 Ų057.7 Ų57.70%029%0.293CS..EExtended strand (participates in β ladder)trans-91.3107.3177.1178.6-2.4000109.2A99 V102 N104 R113 T114 V115 H149N97-A99 WeakPolarHBondContact OD1-CB 3.43Å; N97-A99 PolarHBondContact OD1-N 2.87Å; N97-V102 PolarHBondContact ND2-O 2.95Å; N97-N104 PolarHBondContact ND2-OD1 2.83Å; N97-R113 PolarHBondContact N-O 3.41Å; N97-T114 HydrophobicContact CB-CG2 4.44Å; N97-T114 CarbonylContact O-C 3.59Å; N97-T114 WeakPolarHBondContact O-CA 3.5Å; N97-V115 PolarHBondContact O-N 2.94Å; N97-H149 VanDerWaalsContact CB-NE2 3.33Å; N97-H149 WeakPolarHBondContact CB-NE2 3.24Å; N97-H149 VanDerWaalsContact CG-CE1 3.44Å; N97-H149 PolarHBondContact OD1-CE1 2.56Å
98V98.1Very high96.4Very high0 Ų065.1 Ų65.10%033%0.333CS..EExtended strand (participates in β ladder)trans-104.919177.8-64.10000112.9L96 V115 I117 V148 H149 C150 R156 A157 V160L96-V98 HydrophobicContact CD1-CG1 4.13Å; L96-V98 HydrophobicContact CD2-CG1 4.32Å; L96-V98 HydrophobicContact CG-CG1 3.89Å; V98-V115 CarbonylContact C-O 3.53Å; V98-V115 VanDerWaalsContact C-O 3.32Å; V98-V115 WeakPolarHBondContact CA-O 3.39Å; V98-V115 HydrophobicContact CG1-CB 4.24Å; V98-I117 HydrophobicContact CB-CD1 4.18Å; V98-I117 HydrophobicContact CG1-CD1 4.38Å; V98-V148 HydrophobicContact CG2-CG1 4.33Å; V98-H149 VanDerWaalsContact CG2-O 3.23Å; V98-H149 WeakPolarHBondContact CG2-O 3.38Å; V98-H149 PolarHBondContact N-O 2.97Å; V98-C150 HydrophobicContact CG2-CB 4.14Å; V98-R156 HydrophobicContact CG2-CB 4.22Å; V98-A157 HydrophobicContact CG2-CB 3.88Å; V98-V160 HydrophobicContact CB-CG2 4.38Å; V98-V160 HydrophobicContact CG1-CG1 4.42Å; V98-V160 HydrophobicContact CG1-CG2 4.01Å; V98-V160 HydrophobicContact CG2-CG2 4.35Å
99A95.6Very high96.3Very high2 Ų261.7 Ų61.72%0.01733%0.327CS..EExtended strand (participates in β ladder)trans-90.1144.2177.800000113N97 V102 C150 N151N97-A99 WeakPolarHBondContact OD1-CB 3.43Å; N97-A99 PolarHBondContact OD1-N 2.87Å; A99-V102 HydrophobicContact CB-CB 3.72Å; A99-V102 HydrophobicContact CB-CG2 3.49Å; A99-V102 VanDerWaalsContact CB-CG2 3.49Å; A99-C150 HydrophobicContact CB-CB 4.21Å; A99-N151 WeakPolarHBondContact CB-OD1 3.45Å
100F92Very high96.4Very high114 Ų11455 Ų5550%0.530%0.299SS..THydrogen-bonded Turntrans-78.5127.4163.4-174.6-87.7000110V102 S116 L118 R156F100-V102 PolarHBondContact O-N 3.29Å; F100-S116 WeakPolarHBondContact CD2-OG 3.06Å; F100-L118 HydrophobicContact CB-CD2 4.14Å; F100-L118 HydrophobicContact CD1-CD2 4.15Å; F100-L118 HydrophobicContact CD2-CD2 3.57Å; F100-L118 HydrophobicContact CD2-CG 4.26Å; F100-L118 HydrophobicContact CE2-CD2 4Å; F100-L118 HydrophobicContact CG-CD2 3.68Å; F100-L118 HydrophobicContact CZ-CD2 4.45Å; F100-R156 VanDerWaalsContact N-NH1 3.15Å
101G91.3Very high96.4Very high71 Ų7157.5 Ų57.573%0.73231%0.312SS*.THydrogen-bonded Turntrans73.920.8172.400000115.7
102V92.8Very high96.4Very high15 Ų1551.3 Ų51.39%0.09128%0.284CS..  trans-113.5124.3176.7179.50000109.5Q78 N97 A99 F100 N151Q78-V102 HydrophobicContact CB-CG1 4.06Å; N97-V102 PolarHBondContact ND2-O 2.95Å; A99-V102 HydrophobicContact CB-CB 3.72Å; A99-V102 HydrophobicContact CB-CG2 3.49Å; A99-V102 VanDerWaalsContact CB-CG2 3.49Å; F100-V102 PolarHBondContact O-N 3.29Å; V102-N151 VanDerWaalsContact CG2-ND2 3.33Å; V102-N151 WeakPolarHBondContact CG2-ND2 3.46Å
103E94.6Very high96.4Very high162 Ų16255.7 Ų55.776%0.75730%0.3SS*.  trans-83.9156.9179.6-63.6-174.8168.600112.6H82H82-E103 PolarHBondContact NE2-O 2.93Å; H82-E103 VanDerWaalsContact NE2-O 3.07Å
104N96.6Very high96.4Very high45 Ų4557 Ų5724%0.24131%0.306CS..  trans-87.5119.6175.3-62.1-21.3000109.1N97 Y112 T114N97-N104 PolarHBondContact ND2-OD1 2.83Å; N104-Y112 HydrophobicContact CB-CD1 3.64Å; N104-Y112 HydrophobicContact CB-CD2 4.35Å; N104-Y112 HydrophobicContact CB-CE1 3.53Å; N104-Y112 HydrophobicContact CB-CE2 4.27Å; N104-Y112 HydrophobicContact CB-CG 4.04Å; N104-Y112 VanDerWaalsContact CG-CE1 3.49Å; N104-Y112 WeakPolarHBondContact ND2-CD1 3.23Å; N104-Y112 WeakPolarHBondContact OD1-CD1 3.38Å; N104-T114 PolarHBondContact ND2-OG1 2.96Å; N104-T114 PolarHBondContact OD1-OG1 2.97Å
105V96.6Very high96.3Very high68 Ų6857 Ų5741%0.41231%0.306SS..SBendtrans-81.9-27.2-171.8174.30000113.4H82 P107H82-V105 HydrophobicContact CB-CG2 4.08Å; H82-V105 WeakPolarHBondContact CD2-CG2 3.4Å; H82-V105 WeakPolarHBondContact NE2-CG2 3.49Å; V105-P107 WeakPolarHBondContact O-CD 3.41Å
106F96Very high96.2Very high43 Ų4359.9 Ų59.919%0.18933%0.326CS..  trans-125.249.3-173.5-54.8-65000113.7H82 F84 L87 D108 L109 F110 Y112H82-F106 VanDerWaalsContact O-CE2 3.29Å; H82-F106 WeakPolarHBondContact O-CE2 3.15Å; H82-F106 VanDerWaalsContact O-CZ 3.3Å; H82-F106 WeakPolarHBondContact O-CZ 3.19Å; F84-F106 HydrophobicContact CB-CE1 4.14Å; F84-F106 HydrophobicContact CB-CE2 4.12Å; F84-F106 HydrophobicContact CB-CZ 3.7Å; L87-F106 HydrophobicContact CD1-CD2 3.63Å; L87-F106 HydrophobicContact CD1-CE2 3.91Å; F106-D108 PolarHBondContact O-N 2.9Å; F106-D108 VanDerWaalsContact O-N 3.09Å; F106-L109 HydrophobicContact CB-CB 4.28Å; F106-L109 HydrophobicContact CB-CD1 4.39Å; F106-L109 HydrophobicContact CD1-CD1 4.33Å; F106-L109 PolarHBondContact O-N 2.94Å; F106-F110 HydrophobicContact CB-CD2 3.53Å; F106-F110 HydrophobicContact CB-CE2 3.66Å; F106-F110 HydrophobicContact CD2-CD2 4.48Å; F106-F110 HydrophobicContact CD2-CE2 4.04Å; F106-F110 HydrophobicContact CG-CD2 4.35Å; F106-F110 HydrophobicContact CG-CE2 4.02Å; F106-F110 PolarHBondContact O-N 2.89Å; F106-Y112 PolarHBondContact N-OH 2.98Å; F106-Y112 WeakPolarHBondContact O-CE2 3.44Å
107P94.4Very high96.1Very high78 Ų7859.9 Ų59.951%0.50633%0.326SS..THydrogen-bonded Turntrans-59.7-26.7-170.226.6-35.9000114.2V105V105-P107 WeakPolarHBondContact O-CD 3.41Å
108D95.4Very high96Very high158 Ų15864.4 Ų64.485%0.84535%0.35SS*.THydrogen-bonded Turntrans-84.1-9.8-180-56.8-48000113.8F106F106-D108 PolarHBondContact O-N 2.9Å; F106-D108 VanDerWaalsContact O-N 3.09Å
109L96.4Very high95.9Very high114 Ų11467.8 Ų67.860%0.59737%0.368SS*.THydrogen-bonded Turntrans-112.2-23.6-172.5-60.1178.5000113.7F84 F106F84-L109 HydrophobicContact CD2-CD1 4.21Å; F84-L109 HydrophobicContact CE2-CD1 3.76Å; F106-L109 HydrophobicContact CB-CB 4.28Å; F106-L109 HydrophobicContact CB-CD1 4.39Å; F106-L109 HydrophobicContact CD1-CD1 4.33Å; F106-L109 PolarHBondContact O-N 2.94Å
110F97.9Very high95.9Very high21 Ų2172.4 Ų72.49%0.09239%0.389CS..SBendtrans-131.3155.7-178.6-54.6-91.3000110.3F84 L87 V92 I95 F106 Y112F84-F110 HydrophobicContact CD2-CE2 4.05Å; F84-F110 HydrophobicContact CD2-CZ 4.04Å; F84-F110 HydrophobicContact CE2-CE2 4.14Å; F84-F110 AromaticContact CE2-CZ 3.97Å; F84-F110 HydrophobicContact CE2-CZ 3.97Å; L87-F110 HydrophobicContact CB-CE1 3.86Å; L87-F110 HydrophobicContact CB-CE2 4.45Å; L87-F110 HydrophobicContact CB-CZ 3.59Å; L87-F110 HydrophobicContact CD1-CD2 4.19Å; L87-F110 HydrophobicContact CD1-CE1 4.18Å; L87-F110 HydrophobicContact CD1-CE2 3.57Å; L87-F110 HydrophobicContact CD1-CZ 3.57Å; L87-F110 HydrophobicContact CG-CZ 4.2Å; V92-F110 HydrophobicContact CB-CE1 4.44Å; V92-F110 HydrophobicContact CG1-CD1 4.38Å; V92-F110 WeakPolarHBondContact O-CD1 3.42Å; V92-F110 VanDerWaalsContact O-CE1 3.22Å; V92-F110 WeakPolarHBondContact O-CE1 3.4Å; I95-F110 HydrophobicContact CD1-CB 3.87Å; I95-F110 HydrophobicContact CD1-CD1 4.21Å; I95-F110 HydrophobicContact CD1-CD2 4.1Å; I95-F110 HydrophobicContact CD1-CG 3.8Å; I95-F110 HydrophobicContact CG1-CB 4.31Å; F106-F110 HydrophobicContact CB-CD2 3.53Å; F106-F110 HydrophobicContact CB-CE2 3.66Å; F106-F110 HydrophobicContact CD2-CD2 4.48Å; F106-F110 HydrophobicContact CD2-CE2 4.04Å; F106-F110 HydrophobicContact CG-CD2 4.35Å; F106-F110 HydrophobicContact CG-CE2 4.02Å; F106-F110 PolarHBondContact O-N 2.89Å; F110-Y112 HydrophobicContact CB-CD2 4.23Å; F110-Y112 HydrophobicContact CB-CE2 3.78Å; F110-Y112 HydrophobicContact CD2-CE2 4.48Å; F110-Y112 WeakPolarHBondContact O-CD2 3.03Å; F110-Y112 PolarHBondContact O-N 2.85Å
111I98.2Very high96Very high88 Ų8869.7 Ų69.745%0.45138%0.383SS..EExtended strand (participates in β ladder)trans-84117.8174.5-60.8168.7000107.6S93 H94 I95 F135S93-I111 PolarHBondContact O-N 3.03Å; H94-I111 CarbonylContact C-O 3.59Å; H94-I111 VanDerWaalsContact CA-O 3.28Å; H94-I111 WeakPolarHBondContact CA-O 3.34Å; H94-I111 WeakPolarHBondContact NE2-CD1 3.2Å; I95-I111 PolarHBondContact N-O 3.24Å; I111-F135 HydrophobicContact CG2-CE2 4.05Å
112Y98.3Very high96.1Very high41 Ų4172.8 Ų72.816%0.16138%0.382CS..EExtended strand (participates in β ladder)trans-104146.6-178.6-79.4-93.2000112.7I95 N104 F106 F110I95-Y112 HydrophobicContact CB-CD1 3.69Å; I95-Y112 HydrophobicContact CB-CE1 3.55Å; I95-Y112 HydrophobicContact CB-CG 4.39Å; I95-Y112 HydrophobicContact CD1-CE1 3.77Å; I95-Y112 HydrophobicContact CD1-CE2 4.17Å; I95-Y112 VanDerWaalsContact CD1-CZ 3.49Å; I95-Y112 WeakPolarHBondContact CD1-OH 3.37Å; I95-Y112 HydrophobicContact CG1-CE1 4.24Å; I95-Y112 HydrophobicContact CG2-CD1 3.84Å; I95-Y112 HydrophobicContact CG2-CE1 3.5Å; I95-Y112 WeakPolarHBondContact O-CA 3.33Å; N104-Y112 HydrophobicContact CB-CD1 3.64Å; N104-Y112 HydrophobicContact CB-CD2 4.35Å; N104-Y112 HydrophobicContact CB-CE1 3.53Å; N104-Y112 HydrophobicContact CB-CE2 4.27Å; N104-Y112 HydrophobicContact CB-CG 4.04Å; N104-Y112 VanDerWaalsContact CG-CE1 3.49Å; N104-Y112 WeakPolarHBondContact ND2-CD1 3.23Å; N104-Y112 WeakPolarHBondContact OD1-CD1 3.38Å; F106-Y112 PolarHBondContact N-OH 2.98Å; F106-Y112 WeakPolarHBondContact O-CE2 3.44Å; F110-Y112 HydrophobicContact CB-CD2 4.23Å; F110-Y112 HydrophobicContact CB-CE2 3.78Å; F110-Y112 HydrophobicContact CD2-CE2 4.48Å; F110-Y112 WeakPolarHBondContact O-CD2 3.03Å; F110-Y112 PolarHBondContact O-N 2.85Å
113R98.3Very high96.3Very high104 Ų10472.9 Ų72.939%0.39239%0.385SS..EExtended strand (participates in β ladder)trans-128.6129156-175.564.3173.1-174.3-3.2108.6I95 L96 N97 V115 D131 F135I95-R113 PolarHBondContact O-N 3.01Å; L96-R113 WeakPolarHBondContact CA-O 3.46Å; L96-R113 HydrophobicContact CD1-CB 3.92Å; L96-R113 HydrophobicContact CD1-CG 3.97Å; N97-R113 PolarHBondContact N-O 3.41Å; R113-V115 HydrophobicContact CG-CG2 4.18Å; R113-D131 IonicContact CZ-OD1 3.15Å; R113-D131 IonicContact CZ-OD2 3.21Å; R113-D131 VanDerWaalsContact NE-CG 3.31Å; R113-D131 IonicContact NE-OD1 3.13Å; R113-D131 PolarHBondContact NE-OD1 3.36Å; R113-D131 IonicContact NE-OD2 3.04Å; R113-D131 PolarHBondContact NE-OD2 3.03Å; R113-D131 IonicContact NH2-OD1 2.69Å; R113-D131 PolarHBondContact NH2-OD1 3.08Å; R113-D131 IonicContact NH2-OD2 2.82Å; R113-D131 PolarHBondContact NH2-OD2 3.07Å; R113-F135 HydrophobicContact CB-CB 4.35Å; R113-F135 HydrophobicContact CB-CD1 3.98Å; R113-F135 HydrophobicContact CB-CD2 3.43Å; R113-F135 VanDerWaalsContact CB-CD2 3.43Å; R113-F135 HydrophobicContact CB-CE1 4.07Å; R113-F135 HydrophobicContact CB-CE2 3.53Å; R113-F135 HydrophobicContact CB-CG 3.65Å; R113-F135 HydrophobicContact CB-CZ 3.84Å; R113-F135 HydrophobicContact CG-CB 4.35Å; R113-F135 HydrophobicContact CG-CD2 4.16Å; R113-F135 HydrophobicContact CG-CG 4.18Å
114T97.9Very high96.3Very high67 Ų6769 Ų6941%0.41137%0.369SS..EExtended strand (participates in β ladder)trans-113.5124.9177.1-59.80000109.6N97 N104N97-T114 HydrophobicContact CB-CG2 4.44Å; N97-T114 CarbonylContact O-C 3.59Å; N97-T114 WeakPolarHBondContact O-CA 3.5Å; N104-T114 PolarHBondContact ND2-OG1 2.96Å; N104-T114 PolarHBondContact OD1-OG1 2.97Å
115V97.3Very high96.3Very high6 Ų666.8 Ų66.84%0.03636%0.358CS..EExtended strand (participates in β ladder)trans-128105.7178.4-177.70000107.4L96 N97 V98 R113 I117 Y128L96-V115 HydrophobicContact CD1-CG2 4.22Å; N97-V115 PolarHBondContact O-N 2.94Å; V98-V115 CarbonylContact C-O 3.53Å; V98-V115 VanDerWaalsContact C-O 3.32Å; V98-V115 WeakPolarHBondContact CA-O 3.39Å; V98-V115 HydrophobicContact CG1-CB 4.24Å; R113-V115 HydrophobicContact CG-CG2 4.18Å; V115-I117 HydrophobicContact CG1-CD1 4.04Å; V115-I117 HydrophobicContact CG1-CG1 3.86Å; V115-I117 PolarHBondContact O-N 3.31Å; V115-Y128 HydrophobicContact CG1-CD1 3.33Å; V115-Y128 HydrophobicContact CG1-CE1 4.13Å; V115-Y128 HydrophobicContact CG1-CG 3.61Å
116S95.9Very high96.1Very high60 Ų6066.1 Ų66.142%0.4235%0.352SS..EExtended strand (participates in β ladder)trans-8191.5-170.3178.50000111.9F100F100-S116 WeakPolarHBondContact CD2-OG 3.06Å
117I95.9Very high96.1Very high1 Ų170.5 Ų70.51%0.00537%0.373CS..EExtended strand (participates in β ladder)trans-100.4129.3-179.5-52.9178.7000110.5V98 V115 L125 Y128 R156 V160 F193V98-I117 HydrophobicContact CB-CD1 4.18Å; V98-I117 HydrophobicContact CG1-CD1 4.38Å; V115-I117 HydrophobicContact CG1-CD1 4.04Å; V115-I117 HydrophobicContact CG1-CG1 3.86Å; V115-I117 PolarHBondContact O-N 3.31Å; I117-L125 HydrophobicContact CD1-CD1 4.04Å; I117-Y128 HydrophobicContact CD1-CD2 3.98Å; I117-Y128 HydrophobicContact CD1-CG 4.14Å; I117-Y128 HydrophobicContact CG1-CD2 3.88Å; I117-Y128 HydrophobicContact CG1-CE2 4.25Å; I117-Y128 HydrophobicContact CG1-CG 4.16Å; I117-R156 HydrophobicContact CB-CG 4.37Å; I117-R156 HydrophobicContact CG2-CG 4.08Å; I117-R156 WeakPolarHBondContact O-CD 3.46Å; I117-R156 PolarHBondContact O-NH1 3.03Å; I117-V160 HydrophobicContact CD1-CG2 4Å; I117-F193 HydrophobicContact CG2-CZ 3.9Å
118L95.9Very high96.2Very high95 Ų9570.2 Ų70.250%0.49736%0.362SS..  trans-74.8138.4170.9-71.1174.8000110.5F100 H120 A123 F193F100-L118 HydrophobicContact CB-CD2 4.14Å; F100-L118 HydrophobicContact CD1-CD2 4.15Å; F100-L118 HydrophobicContact CD2-CD2 3.57Å; F100-L118 HydrophobicContact CD2-CG 4.26Å; F100-L118 HydrophobicContact CE2-CD2 4Å; F100-L118 HydrophobicContact CG-CD2 3.68Å; F100-L118 HydrophobicContact CZ-CD2 4.45Å; L118-H120 PolarHBondContact O-N 3.48Å; L118-A123 HydrophobicContact CB-CB 4.32Å; L118-A123 WeakPolarHBondContact O-CB 3.46Å; L118-F193 WeakPolarHBondContact O-CZ 3.3Å
119D96.1Very high96.1Very high70 Ų7062.8 Ų62.837%0.37432%0.322SS..  trans-83.759.7177.2-144.5-21.7000111.5S155 R156 N190D119-S155 WeakPolarHBondContact OD1-CB 3.18Å; D119-S155 PolarHBondContact OD1-OG 3.2Å; D119-S155 WeakPolarHBondContact OD2-CB 3.47Å; D119-R156 HydrophobicContact CB-CG 4.26Å; D119-R156 IonicContact OD2-CZ 2.67Å; D119-R156 IonicContact OD2-NE 2.95Å; D119-R156 PolarHBondContact OD2-NE 3.21Å; D119-R156 IonicContact OD2-NH2 3.01Å; D119-R156 PolarHBondContact OD2-NH2 2.94Å; D119-N190 PolarHBondContact OD1-ND2 2.91Å
120H95.5Very high96.1Very high100 Ų10066.9 Ų66.946%0.46333%0.33SS..SBendtrans-124.9141.5-177.5-158.3-95.6000110L118 D122 A123L118-H120 PolarHBondContact O-N 3.48Å; H120-D122 IonicContact CE1-OD2 2.61Å; H120-D122 PolarHBondContact CE1-OD2 3.28Å; H120-D122 PolarHBondContact ND1-N 3.32Å; H120-D122 IonicContact ND1-OD2 3.46Å; H120-D122 PolarHBondContact ND1-OD2 2.98Å; H120-D122 PolarHBondContact O-N 3.32Å; H120-D122 VanDerWaalsContact O-N 3.17Å; H120-A123 HydrophobicContact CB-CB 4.47Å; H120-A123 WeakPolarHBondContact O-CB 3.32Å; H120-A123 PolarHBondContact O-N 2.89Å
121P94.3Very high96Very high56 Ų5668 Ų6836%0.36434%0.337SS..THydrogen-bonded Turntrans-55.5-30.8176.1-2735.4000114.1A123 N190 G192P121-A123 VanDerWaalsContact C-N 3.34Å; P121-N190 WeakPolarHBondContact CA-OD1 3.36Å; P121-G192 WeakPolarHBondContact O-CA 3.22Å
122D94.4Very high95.9Very high136 Ų13663.9 Ų63.973%0.72732%0.315SS*.THydrogen-bonded Turntrans-83.9-4.9179.9-54.3-31.9000113.9H120H120-D122 IonicContact CE1-OD2 2.61Å; H120-D122 PolarHBondContact CE1-OD2 3.28Å; H120-D122 PolarHBondContact ND1-N 3.32Å; H120-D122 IonicContact ND1-OD2 3.46Å; H120-D122 PolarHBondContact ND1-OD2 2.98Å; H120-D122 PolarHBondContact O-N 3.32Å; H120-D122 VanDerWaalsContact O-N 3.17Å
123A95.6Very high95.9Very high18 Ų1862.2 Ų62.215%0.14931%0.31CS..SBendtrans-73.4131.6177.500000110.1L118 H120 P121 L125 F193 Q196L118-A123 HydrophobicContact CB-CB 4.32Å; L118-A123 WeakPolarHBondContact O-CB 3.46Å; H120-A123 HydrophobicContact CB-CB 4.47Å; H120-A123 WeakPolarHBondContact O-CB 3.32Å; H120-A123 PolarHBondContact O-N 2.89Å; P121-A123 VanDerWaalsContact C-N 3.34Å; A123-L125 PolarHBondContact O-N 2.61Å; A123-F193 HydrophobicContact CB-CE1 4.06Å; A123-F193 HydrophobicContact CB-CZ 4.4Å; A123-F193 WeakPolarHBondContact O-CE1 3.44Å; A123-Q196 PolarHBondContact O-NE2 2.81Å
124D95.2Very high95.8Very high79 Ų7962 Ų6242%0.42232%0.316SS..  trans-77105177.1-169.7-17.4000110L126 E127 Y128D124-L126 WeakPolarHBondContact OD1-CA 3.45Å; D124-L126 WeakPolarHBondContact OD1-CB 3.45Å; D124-L126 PolarHBondContact OD1-N 3.02Å; D124-E127 HydrophobicContact CB-CB 4.47Å; D124-E127 PolarHBondContact OD1-N 2.95Å; D124-Y128 WeakPolarHBondContact O-CD2 3.28Å; D124-Y128 WeakPolarHBondContact O-CE2 3.48Å
125L95.9Very high95.9Very high0 Ų059.9 Ų59.90%030%0.302CS..SBendtrans-73.4-34.2176.2-179.568000111.2I117 A123 E127 Y128 M129 A159 V160 F193 L197I117-L125 HydrophobicContact CD1-CD1 4.04Å; A123-L125 PolarHBondContact O-N 2.61Å; L125-E127 VanDerWaalsContact C-N 3.32Å; L125-E127 PolarHBondContact O-N 3.14Å; L125-Y128 PolarHBondContact O-N 3.06Å; L125-M129 HydrophobicContact CG-SD 4.28Å; L125-M129 PolarHBondContact O-N 3.21Å; L125-A159 HydrophobicContact CD1-CB 4.41Å; L125-A159 HydrophobicContact CD2-CB 3.72Å; L125-V160 HydrophobicContact CD1-CG2 3.74Å; L125-F193 HydrophobicContact CB-CD1 3.82Å; L125-F193 HydrophobicContact CB-CE1 4.04Å; L125-F193 HydrophobicContact CD2-CB 4.14Å; L125-F193 HydrophobicContact CD2-CD1 4.3Å; L125-F193 HydrophobicContact CD2-CG 4.18Å; L125-F193 HydrophobicContact CG-CD1 4.49Å; L125-L197 HydrophobicContact CD2-CD1 4.05Å; L125-L197 HydrophobicContact CD2-CD2 4.07Å; L125-L197 HydrophobicContact CD2-CG 3.96Å
126L94.2Very high95.9Very high54 Ų5459.6 Ų59.628%0.28330%0.3SS..Hα-helixtrans-70.2-31-169.2-59-177.6000112.1D124 Y128 M129 Q196 Y200D124-L126 WeakPolarHBondContact OD1-CA 3.45Å; D124-L126 WeakPolarHBondContact OD1-CB 3.45Å; D124-L126 PolarHBondContact OD1-N 3.02Å; L126-Y128 PolarHBondContact O-N 2.94Å; L126-M129 HydrophobicContact CD2-CG 4.2Å; L126-M129 PolarHBondContact O-N 2.97Å; L126-M129 VanDerWaalsContact O-N 3.15Å; L126-Q196 HydrophobicContact CD1-CB 4.33Å; L126-Q196 HydrophobicContact CG-CB 4.23Å; L126-Y200 HydrophobicContact CD1-CD2 3.83Å; L126-Y200 HydrophobicContact CD2-CD2 3.48Å; L126-Y200 VanDerWaalsContact CD2-CD2 3.48Å; L126-Y200 HydrophobicContact CD2-CE2 3.98Å; L126-Y200 HydrophobicContact CD2-CG 3.9Å; L126-Y200 HydrophobicContact CG-CD2 4.19Å
127E95.3Very high96Very high135 Ų13558.4 Ų58.463%0.63129%0.288SS*.Hα-helixtrans-51.9-37.9172.1-174.4179.5176.300112.1D124 L125D124-E127 HydrophobicContact CB-CB 4.47Å; D124-E127 PolarHBondContact OD1-N 2.95Å; L125-E127 VanDerWaalsContact C-N 3.32Å; L125-E127 PolarHBondContact O-N 3.14Å
128Y95.5Very high96.1Very high72 Ų7262.2 Ų62.228%0.28231%0.305SS..Hα-helixtrans-91.5-11.3-175.5-56-70.7000114.1V115 I117 D124 L125 L126 R130 D131 C132V115-Y128 HydrophobicContact CG1-CD1 3.33Å; V115-Y128 HydrophobicContact CG1-CE1 4.13Å; V115-Y128 HydrophobicContact CG1-CG 3.61Å; I117-Y128 HydrophobicContact CD1-CD2 3.98Å; I117-Y128 HydrophobicContact CD1-CG 4.14Å; I117-Y128 HydrophobicContact CG1-CD2 3.88Å; I117-Y128 HydrophobicContact CG1-CE2 4.25Å; I117-Y128 HydrophobicContact CG1-CG 4.16Å; D124-Y128 WeakPolarHBondContact O-CD2 3.28Å; D124-Y128 WeakPolarHBondContact O-CE2 3.48Å; L125-Y128 PolarHBondContact O-N 3.06Å; L126-Y128 PolarHBondContact O-N 2.94Å; Y128-R130 VanDerWaalsContact C-N 3.31Å; Y128-R130 PolarHBondContact O-N 3.4Å; Y128-D131 PolarHBondContact O-N 3.14Å; Y128-C132 PolarHBondContact O-N 3.33Å; Y128-C132 VanDerWaalsContact O-N 3.07Å; Y128-C132 PolarHBondContact O-SG 3.37Å
129M95.1Very high96.2Very high2 Ų257.7 Ų57.71%0.0128%0.282CS..Hα-helixtrans-62.7-37.8-170.8-78.2-53.7-43.300112.6L125 L126 D131 C133 Y164L125-M129 HydrophobicContact CG-SD 4.28Å; L125-M129 PolarHBondContact O-N 3.21Å; L126-M129 HydrophobicContact CD2-CG 4.2Å; L126-M129 PolarHBondContact O-N 2.97Å; L126-M129 VanDerWaalsContact O-N 3.15Å; M129-D131 PolarHBondContact O-N 3.06Å; M129-C133 WeakPolarHBondContact O-CB 3.42Å; M129-C133 PolarHBondContact O-N 2.88Å; M129-C133 PolarHBondContact O-SG 3.39Å; M129-Y164 VanDerWaalsContact CE-N 3.35Å
130R94.6Very high96.2Very high199 Ų19959.4 Ų59.475%0.75128%0.283SS*.Hα-helixtrans-58.2-50.3176.9179.9178.7-74.3179.9-2.7111.3Y128 C133 D134Y128-R130 VanDerWaalsContact C-N 3.31Å; Y128-R130 PolarHBondContact O-N 3.4Å; R130-C133 PolarHBondContact O-N 3.17Å; R130-D134 WeakPolarHBondContact O-CB 3.25Å; R130-D134 VanDerWaalsContact O-CG 3.29Å; R130-D134 PolarHBondContact O-N 3.28Å
131D96.4Very high96.3Very high46 Ų4663.2 Ų63.225%0.24629%0.293CS..Hα-helixtrans-65-44.9-176.7-172.334000112.2R113 Y128 M129 C133 D134 F135R113-D131 IonicContact CZ-OD1 3.15Å; R113-D131 IonicContact CZ-OD2 3.21Å; R113-D131 VanDerWaalsContact NE-CG 3.31Å; R113-D131 IonicContact NE-OD1 3.13Å; R113-D131 PolarHBondContact NE-OD1 3.36Å; R113-D131 IonicContact NE-OD2 3.04Å; R113-D131 PolarHBondContact NE-OD2 3.03Å; R113-D131 IonicContact NH2-OD1 2.69Å; R113-D131 PolarHBondContact NH2-OD1 3.08Å; R113-D131 IonicContact NH2-OD2 2.82Å; R113-D131 PolarHBondContact NH2-OD2 3.07Å; Y128-D131 PolarHBondContact O-N 3.14Å; M129-D131 PolarHBondContact O-N 3.06Å; D131-C133 VanDerWaalsContact C-N 3.33Å; D131-C133 PolarHBondContact O-N 3.01Å; D131-D134 PolarHBondContact O-N 3.29Å; D131-F135 PolarHBondContact O-N 2.91Å; D131-F135 VanDerWaalsContact O-N 3.11Å
132C97.6Very high96.5Very high0 Ų065.1 Ų65.10%030%0.298CS..Hα-helixtrans-59.9-43.9174.5-69.50000111.7L96 Y128 F135 I136 V160L96-C132 HydrophobicContact CD2-CB 4.02Å; Y128-C132 PolarHBondContact O-N 3.33Å; Y128-C132 VanDerWaalsContact O-N 3.07Å; Y128-C132 PolarHBondContact O-SG 3.37Å; C132-F135 PolarHBondContact O-N 2.77Å; C132-I136 VanDerWaalsContact O-CG1 3.28Å; C132-I136 WeakPolarHBondContact O-CG1 3.4Å; C132-I136 PolarHBondContact O-N 3.29Å; C132-I136 VanDerWaalsContact O-N 3.08Å; C132-V160 HydrophobicContact CB-CG1 3.65Å
133C96.8Very high96.6Very high7 Ų768.1 Ų68.15%0.04730%0.304CS..Hα-helixtrans-65.7-45179.7-770000112.6M129 R130 D131 F135 I136 Q137 Y164 S167 C168M129-C133 WeakPolarHBondContact O-CB 3.42Å; M129-C133 PolarHBondContact O-N 2.88Å; M129-C133 PolarHBondContact O-SG 3.39Å; R130-C133 PolarHBondContact O-N 3.17Å; D131-C133 VanDerWaalsContact C-N 3.33Å; D131-C133 PolarHBondContact O-N 3.01Å; C133-F135 VanDerWaalsContact C-N 3.29Å; C133-F135 PolarHBondContact O-N 3.05Å; C133-I136 PolarHBondContact O-N 2.8Å; C133-Q137 WeakPolarHBondContact O-CB 3.26Å; C133-Q137 VanDerWaalsContact O-CG 3.32Å; C133-Q137 WeakPolarHBondContact O-CG 3.21Å; C133-Q137 PolarHBondContact O-N 3.48Å; C133-Y164 HydrophobicContact CB-CD2 4.39Å; C133-S167 PolarHBondContact SG-OG 2.91Å; C133-C168 VanDerWaalsContact CB-SG 3.53Å; C133-C168 VanDerWaalsContact SG-SG 3.66Å
134D97.5Very high96.7Very high98 Ų9867.7 Ų67.752%0.52430%0.301SS..Hα-helixtrans-59.7-43178.3-73.8-22.3000110.9R130 D131 Q137 Q138R130-D134 WeakPolarHBondContact O-CB 3.25Å; R130-D134 VanDerWaalsContact O-CG 3.29Å; R130-D134 PolarHBondContact O-N 3.28Å; D131-D134 PolarHBondContact O-N 3.29Å; D134-Q137 PolarHBondContact O-N 3.48Å; D134-Q138 VanDerWaalsContact O-CB 3.27Å; D134-Q138 WeakPolarHBondContact O-CB 3.41Å; D134-Q138 PolarHBondContact O-N 3.46Å
135F98.5Very high96.9Very high24 Ų2465.1 Ų65.111%0.10529%0.289CS..Hα-helixtrans-62.2-47.4176.2-176.5-103.6000112.8H94 L96 I111 R113 D131 C132 C133 Q138 A139 V146H94-F135 HydrophobicContact CB-CE1 3.99Å; H94-F135 HydrophobicContact CB-CZ 3.8Å; H94-F135 AromaticContact CD2-CE2 3.93Å; H94-F135 AromaticContact CD2-CZ 3.8Å; L96-F135 HydrophobicContact CB-CD1 3.88Å; L96-F135 HydrophobicContact CB-CE1 3.83Å; L96-F135 HydrophobicContact CD1-CD1 4.15Å; L96-F135 HydrophobicContact CG-CD1 4.39Å; I111-F135 HydrophobicContact CG2-CE2 4.05Å; R113-F135 HydrophobicContact CB-CB 4.35Å; R113-F135 HydrophobicContact CB-CD1 3.98Å; R113-F135 HydrophobicContact CB-CD2 3.43Å; R113-F135 VanDerWaalsContact CB-CD2 3.43Å; R113-F135 HydrophobicContact CB-CE1 4.07Å; R113-F135 HydrophobicContact CB-CE2 3.53Å; R113-F135 HydrophobicContact CB-CG 3.65Å; R113-F135 HydrophobicContact CB-CZ 3.84Å; R113-F135 HydrophobicContact CG-CB 4.35Å; R113-F135 HydrophobicContact CG-CD2 4.16Å; R113-F135 HydrophobicContact CG-CG 4.18Å; D131-F135 PolarHBondContact O-N 2.91Å; D131-F135 VanDerWaalsContact O-N 3.11Å; C132-F135 PolarHBondContact O-N 2.77Å; C133-F135 VanDerWaalsContact C-N 3.29Å; C133-F135 PolarHBondContact O-N 3.05Å; F135-Q138 PolarHBondContact O-N 3.42Å; F135-A139 PolarHBondContact O-N 3.28Å; F135-A139 VanDerWaalsContact O-N 3.09Å; F135-V146 HydrophobicContact CD1-CG1 4.47Å; F135-V146 HydrophobicContact CE1-CG1 4.13Å
136I98.4Very high97Very high0 Ų065.1 Ų65.10%029%0.289CS..Hα-helixtrans-65.4-42.1179.9-63.6164.7000110.8Y71 L72 L96 C132 C133 A139 R140 V146 V148 Y164Y71-I136 HydrophobicContact CE2-CG2 4.22Å; L72-I136 HydrophobicContact CD1-CD1 4.25Å; L72-I136 HydrophobicContact CD1-CG1 4.45Å; L72-I136 HydrophobicContact CD1-CG2 4.07Å; L96-I136 HydrophobicContact CD2-CD1 3.99Å; L96-I136 HydrophobicContact CD2-CG1 4.1Å; C132-I136 VanDerWaalsContact O-CG1 3.28Å; C132-I136 WeakPolarHBondContact O-CG1 3.4Å; C132-I136 PolarHBondContact O-N 3.29Å; C132-I136 VanDerWaalsContact O-N 3.08Å; C133-I136 PolarHBondContact O-N 2.8Å; I136-A139 PolarHBondContact O-N 3.05Å; I136-R140 WeakPolarHBondContact O-CB 3.4Å; I136-R140 PolarHBondContact O-N 3.44Å; I136-V146 HydrophobicContact CG1-CG1 4.3Å; I136-V146 HydrophobicContact CG2-CG2 4.5Å; I136-V148 HydrophobicContact CD1-CG2 4.42Å; I136-Y164 HydrophobicContact CB-CD2 3.87Å; I136-Y164 HydrophobicContact CB-CE2 3.71Å; I136-Y164 HydrophobicContact CD1-CD1 4.43Å; I136-Y164 HydrophobicContact CD1-CD2 3.83Å; I136-Y164 HydrophobicContact CD1-CE2 4.49Å; I136-Y164 HydrophobicContact CD1-CG 3.79Å; I136-Y164 HydrophobicContact CG1-CD2 4.46Å; I136-Y164 HydrophobicContact CG2-CD1 4.24Å; I136-Y164 HydrophobicContact CG2-CD2 3.84Å; I136-Y164 HydrophobicContact CG2-CE1 3.85Å; I136-Y164 HydrophobicContact CG2-CE2 3.38Å; I136-Y164 HydrophobicContact CG2-CG 4.24Å; I136-Y164 VanDerWaalsContact CG2-CZ 3.4Å
137Q97.6Very high97.2Very high35 Ų3562.6 Ų62.616%0.16428%0.275CS..Hα-helixtrans-66.1-38.5177.5-71.6-71.52500112C133 D134 R140 R141 Y164 C168C133-Q137 WeakPolarHBondContact O-CB 3.26Å; C133-Q137 VanDerWaalsContact O-CG 3.32Å; C133-Q137 WeakPolarHBondContact O-CG 3.21Å; C133-Q137 PolarHBondContact O-N 3.48Å; D134-Q137 PolarHBondContact O-N 3.48Å; Q137-R140 WeakPolarHBondContact O-CB 3.44Å; Q137-R140 PolarHBondContact O-N 3.06Å; Q137-R141 WeakPolarHBondContact O-CG 3.25Å; Q137-R141 PolarHBondContact O-N 3.34Å; Q137-Y164 HydrophobicContact CG-CE2 4.07Å; Q137-C168 HydrophobicContact CG-CB 4.49Å
138Q97.8Very high97.4Very high80 Ų8056.2 Ų56.237%0.37425%0.245SC..Hα-helixtrans-61.1-50.9176.9-176.95825.100110.8D134 F135 R140 R141 E142D134-Q138 VanDerWaalsContact O-CB 3.27Å; D134-Q138 WeakPolarHBondContact O-CB 3.41Å; D134-Q138 PolarHBondContact O-N 3.46Å; F135-Q138 PolarHBondContact O-N 3.42Å; Q138-R140 VanDerWaalsContact C-N 3.26Å; Q138-R140 PolarHBondContact O-N 2.59Å; Q138-R141 WeakPolarHBondContact O-CB 3.5Å; Q138-R141 PolarHBondContact O-N 3.06Å; Q138-E142 PolarHBondContact NE2-OE1 3.21Å; Q138-E142 WeakPolarHBondContact O-CG 3.42Å; Q138-E142 PolarHBondContact O-N 2.97Å
139A97.8Very high97.5Very high0 Ų052.8 Ų52.80%023%0.232CC..Hα-helixtrans-57.8-40176.100000112.3H94 F135 I136 E142 K143 G144 V146H94-A139 HydrophobicContact CB-CB 3.93Å; H94-A139 VanDerWaalsContact CG-CB 3.45Å; F135-A139 PolarHBondContact O-N 3.28Å; F135-A139 VanDerWaalsContact O-N 3.09Å; I136-A139 PolarHBondContact O-N 3.05Å; A139-E142 CarbonylContact O-C 3.6Å; A139-E142 PolarHBondContact O-N 3.39Å; A139-K143 PolarHBondContact O-N 3.25Å; A139-G144 WeakPolarHBondContact O-CA 3.21Å; A139-G144 PolarHBondContact O-N 3.4Å; A139-V146 HydrophobicContact CB-CG2 3.18Å
140R97Very high97.6Very high107 Ų10752.8 Ų52.840%0.40423%0.232SC..Hα-helixtrans-60.7-44175.1-176.1-171.8178179.2-1.3111.9Y71 I136 Q137 Q138 E142 K143Y71-R140 HydrophobicContact CD1-CG 4.22Å; Y71-R140 HydrophobicContact CD2-CB 3.96Å; Y71-R140 HydrophobicContact CD2-CG 4.01Å; Y71-R140 HydrophobicContact CE1-CG 4.17Å; Y71-R140 HydrophobicContact CE2-CB 4.05Å; Y71-R140 HydrophobicContact CE2-CG 3.97Å; Y71-R140 HydrophobicContact CG-CB 4.45Å; Y71-R140 HydrophobicContact CG-CG 4.15Å; Y71-R140 PolarHBondContact OH-NH1 3.27Å; I136-R140 WeakPolarHBondContact O-CB 3.4Å; I136-R140 PolarHBondContact O-N 3.44Å; Q137-R140 WeakPolarHBondContact O-CB 3.44Å; Q137-R140 PolarHBondContact O-N 3.06Å; Q138-R140 VanDerWaalsContact C-N 3.26Å; Q138-R140 PolarHBondContact O-N 2.59Å; R140-E142 VanDerWaalsContact C-N 3.29Å; R140-E142 PolarHBondContact O-N 3.17Å; R140-K143 PolarHBondContact O-N 3.12Å; R140-K143 VanDerWaalsContact O-N 3.09Å
141R97.3Very high97.6Very high179 Ų17945.8 Ų45.868%0.67521%0.21SC*.Hα-helixtrans-63.9-35.9177.7-70.1169.5-170.3158.52.6111.9Q137 Q138 K143Q137-R141 WeakPolarHBondContact O-CG 3.25Å; Q137-R141 PolarHBondContact O-N 3.34Å; Q138-R141 WeakPolarHBondContact O-CB 3.5Å; Q138-R141 PolarHBondContact O-N 3.06Å; R141-K143 PolarHBondContact O-N 3.29Å
142E97.6Very high97.5Very high97 Ų9746.3 Ų46.345%0.45322%0.22SC..THydrogen-bonded Turntrans-76.10.8175.5-66.8177.8-169.800113.6H94 Q138 A139 R140 G144H94-E142 IonicContact CE1-OE2 3.06Å; H94-E142 PolarHBondContact CE1-OE2 3.02Å; H94-E142 IonicContact NE2-OE2 3.28Å; H94-E142 PolarHBondContact NE2-OE2 3.05Å; Q138-E142 PolarHBondContact NE2-OE1 3.21Å; Q138-E142 WeakPolarHBondContact O-CG 3.42Å; Q138-E142 PolarHBondContact O-N 2.97Å; A139-E142 CarbonylContact O-C 3.6Å; A139-E142 PolarHBondContact O-N 3.39Å; R140-E142 VanDerWaalsContact C-N 3.29Å; R140-E142 PolarHBondContact O-N 3.17Å; E142-G144 PolarHBondContact O-N 2.91Å
143K97.5Very high97.3Very high199 Ų19946.4 Ų46.487%0.86522%0.221SC*.THydrogen-bonded Turntrans58.628.6-174.2-52.6175.6-179.61760112.5A139 R140 R141A139-K143 PolarHBondContact O-N 3.25Å; R140-K143 PolarHBondContact O-N 3.12Å; R140-K143 VanDerWaalsContact O-N 3.09Å; R141-K143 PolarHBondContact O-N 3.29Å
144G98Very high97.3Very high9 Ų948.7 Ų48.79%0.09323%0.234CC..  trans-81.8174.2173.900000113.2S93 A139 E142S93-G144 WeakPolarHBondContact OG-CA 3.29Å; A139-G144 WeakPolarHBondContact O-CA 3.21Å; A139-G144 PolarHBondContact O-N 3.4Å; E142-G144 PolarHBondContact O-N 2.91Å
145V98.6Very high97.3Very high25 Ų2544.3 Ų44.315%0.15221%0.212CC..  trans-120.1125.3173.2179.40000108.1L73 K91 S93 H94L73-V145 HydrophobicContact CD1-CG1 3.53Å; L73-V145 HydrophobicContact CG-CG1 3.72Å; K91-V145 WeakPolarHBondContact O-CB 3.5Å; S93-V145 PolarHBondContact N-O 3.09Å; S93-V145 PolarHBondContact OG-N 3.36Å; S93-V145 VanDerWaalsContact OG-N 3.11Å; H94-V145 PolarHBondContact N-O 3.16Å
146V98.8Very high97.3Very high0 Ų044.1 Ų44.10%021%0.21CC..EExtended strand (participates in β ladder)trans-97.7128.1180-172.30000109.9Y71 L72 L73 H94 L96 F135 I136 A139 V148Y71-V146 PolarHBondContact O-N 3.47Å; L72-V146 HydrophobicContact CD1-CB 4.35Å; L73-V146 WeakPolarHBondContact CB-O 3.41Å; L73-V146 PolarHBondContact N-O 2.93Å; H94-V146 HydrophobicContact CB-CB 4.42Å; H94-V146 HydrophobicContact CB-CG1 4.45Å; H94-V146 HydrophobicContact CB-CG2 3.96Å; H94-V146 CarbonylContact O-C 3.57Å; H94-V146 VanDerWaalsContact O-CA 3.31Å; H94-V146 WeakPolarHBondContact O-CA 3.27Å; L96-V146 HydrophobicContact CB-CG1 4.28Å; F135-V146 HydrophobicContact CD1-CG1 4.47Å; F135-V146 HydrophobicContact CE1-CG1 4.13Å; I136-V146 HydrophobicContact CG1-CG1 4.3Å; I136-V146 HydrophobicContact CG2-CG2 4.5Å; A139-V146 HydrophobicContact CB-CG2 3.18Å; V146-V148 HydrophobicContact CG1-CG2 4.08Å
147L98.8Very high97.3Very high1 Ų144.1 Ų44.11%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-101119163.3-175.270.8000109.5V65 L73 A75 A81 L87 V92 H94 I95 L96V65-L147 HydrophobicContact CG1-CD1 3.94Å; V65-L147 HydrophobicContact CG2-CD1 4.42Å; L73-L147 HydrophobicContact CB-CD1 3.74Å; A75-L147 HydrophobicContact CB-CD1 3.92Å; A75-L147 HydrophobicContact CB-CD2 4.3Å; A75-L147 HydrophobicContact CB-CG 4.14Å; A81-L147 HydrophobicContact CB-CD2 4.17Å; L87-L147 HydrophobicContact CD2-CD2 3.55Å; V92-L147 HydrophobicContact CG1-CB 3.83Å; V92-L147 HydrophobicContact CG2-CB 4.06Å; H94-L147 PolarHBondContact O-N 3.43Å; I95-L147 WeakPolarHBondContact CA-O 3.29Å; L96-L147 PolarHBondContact N-O 3.29Å
148V98.7Very high97.4Very high0 Ų042.4 Ų42.40%020%0.202CC..EExtended strand (participates in β ladder)trans-97.1127.2172.5-169.50000108.8L72 L73 A75 L96 V98 I136 V146 A157 V161L72-V148 HydrophobicContact CD1-CG2 3.7Å; L73-V148 PolarHBondContact O-N 2.9Å; A75-V148 PolarHBondContact N-O 3.46Å; L96-V148 HydrophobicContact CB-CG1 4.32Å; L96-V148 HydrophobicContact CB-CG2 4.19Å; L96-V148 HydrophobicContact CD2-CG1 4.07Å; L96-V148 HydrophobicContact CD2-CG2 4.16Å; L96-V148 HydrophobicContact CG-CG1 4.21Å; L96-V148 WeakPolarHBondContact O-CA 3.45Å; V98-V148 HydrophobicContact CG2-CG1 4.33Å; I136-V148 HydrophobicContact CD1-CG2 4.42Å; V146-V148 HydrophobicContact CG1-CG2 4.08Å; V148-A157 HydrophobicContact CG1-CB 4Å; V148-V161 HydrophobicContact CB-CG2 3.92Å; V148-V161 HydrophobicContact CG1-CG2 4.11Å; V148-V161 HydrophobicContact CG2-CG2 3.89Å
149H98.3Very high97.4Very high1 Ų138.6 Ų38.61%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-138.5157.8177.78293.7000112.8A75 A81 L96 N97 V98A75-H149 HydrophobicContact CB-CB 3.45Å; A75-H149 VanDerWaalsContact CB-CB 3.45Å; A81-H149 HydrophobicContact CB-CB 4.21Å; A81-H149 WeakPolarHBondContact CB-CD2 3.16Å; L96-H149 PolarHBondContact O-N 2.76Å; N97-H149 VanDerWaalsContact CB-NE2 3.33Å; N97-H149 WeakPolarHBondContact CB-NE2 3.24Å; N97-H149 VanDerWaalsContact CG-CE1 3.44Å; N97-H149 PolarHBondContact OD1-CE1 2.56Å; V98-H149 VanDerWaalsContact CG2-O 3.23Å; V98-H149 WeakPolarHBondContact CG2-O 3.38Å; V98-H149 PolarHBondContact N-O 2.97Å
150C96.8Very high97.4Very high1 Ų138.6 Ų38.61%0.00719%0.185CC..  trans-127-148.2164.263.10000108.5Q78 V98 A99 G153 R156 A157Q78-C150 PolarHBondContact N-O 2.98Å; V98-C150 HydrophobicContact CG2-CB 4.14Å; A99-C150 HydrophobicContact CB-CB 4.21Å; C150-G153 PolarHBondContact SG-N 2.92Å; C150-R156 HydrophobicContact CB-CB 3.89Å; C150-A157 HydrophobicContact CB-CB 4.02Å
151N94.8Very high97.5Very high53 Ų5333.5 Ų33.528%0.28317%0.165SC..SBendtrans-71.8-55.3174.9-63.670.7000110.7S77 Q78 A99 V102 R156S77-N151 WeakPolarHBondContact CA-O 3.32Å; S77-N151 WeakPolarHBondContact CB-O 3.43Å; Q78-N151 PolarHBondContact N-O 2.88Å; A99-N151 WeakPolarHBondContact CB-OD1 3.45Å; V102-N151 VanDerWaalsContact CG2-ND2 3.33Å; V102-N151 WeakPolarHBondContact CG2-ND2 3.46Å; N151-R156 VanDerWaalsContact OD1-CZ 3.28Å; N151-R156 PolarHBondContact OD1-NH1 3.37Å; N151-R156 PolarHBondContact OD1-NH2 3.41Å
152A93.6Very high97.5Very high57 Ų5725 Ų2547%0.47113%0.133SC..SBendtrans-114.85.9-169.200000114G76 V154G76-A152 CarbonylContact O-C 3.12Å; A152-V154 WeakPolarHBondContact O-CG2 3.48Å; A152-V154 PolarHBondContact O-N 3.06Å
153G94.2Very high97.5Very high1 Ų120.4 Ų20.41%0.0111%0.112CC..SBendtrans59.212.8-179.500000115.9A75 G76 C150 P158A75-G153 WeakPolarHBondContact O-CA 3.12Å; G76-G153 VanDerWaalsContact O-CA 3.25Å; G76-G153 WeakPolarHBondContact O-CA 3.05Å; G76-G153 PolarHBondContact O-N 3.4Å; C150-G153 PolarHBondContact SG-N 2.92Å; G153-P158 VanDerWaalsContact O-CG 3.24Å; G153-P158 WeakPolarHBondContact O-CG 3.4Å
154V96.6Very high97.6Very high55 Ų5510.9 Ų10.933%0.3337%0.07SC..SBendtrans-96.4-47.5-174.9170.40000112.6A152 P158 S187 S188A152-V154 WeakPolarHBondContact O-CG2 3.48Å; A152-V154 PolarHBondContact O-N 3.06Å; V154-P158 VanDerWaalsContact O-CG 3.32Å; V154-P158 WeakPolarHBondContact O-CG 3.5Å; V154-S187 CarbonylContact O-C 3.52Å; V154-S188 CarbonylContact O-C 3.41Å; V154-S188 WeakPolarHBondContact O-CA 3.1Å; V154-S188 PolarHBondContact O-N 3.32Å
155S97.9Very high97.5Very high7 Ų710.5 Ų10.55%0.0497%0.066CC..SBendtrans-113-72.2-167.2171.20000114.2D119 P158 A159 N190D119-S155 WeakPolarHBondContact OD1-CB 3.18Å; D119-S155 PolarHBondContact OD1-OG 3.2Å; D119-S155 WeakPolarHBondContact OD2-CB 3.47Å; S155-P158 WeakPolarHBondContact O-CD 3.35Å; S155-A159 VanDerWaalsContact O-CB 3.3Å; S155-A159 WeakPolarHBondContact O-CB 3.48Å; S155-A159 PolarHBondContact O-N 3.43Å; S155-N190 PolarHBondContact OG-N 3.32Å
156R98.2Very high97.5Very high19 Ų199.7 Ų9.77%0.0726%0.061CC..Hα-helixtrans-57.5-54.8-176.2-71161.5-76.9169.60.6114.6V98 F100 I117 D119 C150 N151 A159 V160 F193V98-R156 HydrophobicContact CG2-CB 4.22Å; F100-R156 VanDerWaalsContact N-NH1 3.15Å; I117-R156 HydrophobicContact CB-CG 4.37Å; I117-R156 HydrophobicContact CG2-CG 4.08Å; I117-R156 WeakPolarHBondContact O-CD 3.46Å; I117-R156 PolarHBondContact O-NH1 3.03Å; D119-R156 HydrophobicContact CB-CG 4.26Å; D119-R156 IonicContact OD2-CZ 2.67Å; D119-R156 IonicContact OD2-NE 2.95Å; D119-R156 PolarHBondContact OD2-NE 3.21Å; D119-R156 IonicContact OD2-NH2 3.01Å; D119-R156 PolarHBondContact OD2-NH2 2.94Å; C150-R156 HydrophobicContact CB-CB 3.89Å; N151-R156 VanDerWaalsContact OD1-CZ 3.28Å; N151-R156 PolarHBondContact OD1-NH1 3.37Å; N151-R156 PolarHBondContact OD1-NH2 3.41Å; R156-A159 WeakPolarHBondContact O-CB 3.48Å; R156-A159 PolarHBondContact O-N 2.94Å; R156-V160 WeakPolarHBondContact O-CG2 3.47Å; R156-V160 PolarHBondContact O-N 3.45Å; R156-F193 HydrophobicContact CB-CE2 4.42Å; R156-F193 HydrophobicContact CG-CE2 3.66Å; R156-F193 HydrophobicContact CG-CZ 4.1Å
157A98.3Very high97.2Very high0 Ų011.6 Ų11.60%07%0.074CC..Hα-helixtrans-61.8-46.7-178.200000112.7L74 V98 V148 C150 A159 V160 V161L74-A157 HydrophobicContact CD1-CB 3.74Å; V98-A157 HydrophobicContact CG2-CB 3.88Å; V148-A157 HydrophobicContact CG1-CB 4Å; C150-A157 HydrophobicContact CB-CB 4.02Å; A157-A159 VanDerWaalsContact C-N 3.33Å; A157-A159 PolarHBondContact O-N 2.65Å; A157-V160 PolarHBondContact O-N 2.58Å; A157-V161 WeakPolarHBondContact O-CG2 3.3Å; A157-V161 PolarHBondContact O-N 3.35Å
158P98.3Very high96.9Very high0 Ų013.5 Ų13.50%09%0.087CC..Hα-helixtrans-58.9-40.8171.9-29.238.9000113.7L74 G153 V154 S155 V161 I162 V180 S187 P189L74-P158 HydrophobicContact CD1-CG 4.1Å; L74-P158 HydrophobicContact CD2-CB 4.34Å; L74-P158 HydrophobicContact CD2-CG 3.93Å; G153-P158 VanDerWaalsContact O-CG 3.24Å; G153-P158 WeakPolarHBondContact O-CG 3.4Å; V154-P158 VanDerWaalsContact O-CG 3.32Å; V154-P158 WeakPolarHBondContact O-CG 3.5Å; S155-P158 WeakPolarHBondContact O-CD 3.35Å; P158-V161 PolarHBondContact O-N 2.69Å; P158-I162 WeakPolarHBondContact O-CD1 3.36Å; P158-I162 VanDerWaalsContact O-CG1 3.23Å; P158-I162 WeakPolarHBondContact O-CG1 3.49Å; P158-I162 PolarHBondContact O-N 2.88Å; P158-V180 HydrophobicContact CB-CG1 3.89Å; P158-S187 WeakPolarHBondContact CG-OG 3.23Å; P158-P189 HydrophobicContact CB-CG 4.14Å
159A98.3Very high96.5Very high0 Ų015.6 Ų15.60%010%0.098CC..Hα-helixtrans-61-45.7178.100000112.3L125 S155 R156 A157 V161 I162 G163 P189 F193 L197L125-A159 HydrophobicContact CD1-CB 4.41Å; L125-A159 HydrophobicContact CD2-CB 3.72Å; S155-A159 VanDerWaalsContact O-CB 3.3Å; S155-A159 WeakPolarHBondContact O-CB 3.48Å; S155-A159 PolarHBondContact O-N 3.43Å; R156-A159 WeakPolarHBondContact O-CB 3.48Å; R156-A159 PolarHBondContact O-N 2.94Å; A157-A159 VanDerWaalsContact C-N 3.33Å; A157-A159 PolarHBondContact O-N 2.65Å; A159-V161 VanDerWaalsContact C-N 3.35Å; A159-V161 PolarHBondContact O-N 3.25Å; A159-I162 PolarHBondContact O-N 2.92Å; A159-G163 PolarHBondContact O-N 2.71Å; A159-P189 HydrophobicContact CB-CB 4.11Å; A159-P189 HydrophobicContact CB-CG 4.37Å; A159-F193 HydrophobicContact CB-CB 4Å; A159-F193 HydrophobicContact CB-CD2 3.72Å; A159-F193 HydrophobicContact CB-CG 4.13Å; A159-L197 HydrophobicContact CB-CD1 4.27Å
160V98.4Very high96.2Very high0 Ų018.3 Ų18.30%013%0.127CC..Hα-helixtrans-62.2-42.5175.8170.70000111.3L96 V98 I117 L125 C132 R156 A157 G163 Y164L96-V160 HydrophobicContact CD2-CG1 4.07Å; V98-V160 HydrophobicContact CB-CG2 4.38Å; V98-V160 HydrophobicContact CG1-CG1 4.42Å; V98-V160 HydrophobicContact CG1-CG2 4.01Å; V98-V160 HydrophobicContact CG2-CG2 4.35Å; I117-V160 HydrophobicContact CD1-CG2 4Å; L125-V160 HydrophobicContact CD1-CG2 3.74Å; C132-V160 HydrophobicContact CB-CG1 3.65Å; R156-V160 WeakPolarHBondContact O-CG2 3.47Å; R156-V160 PolarHBondContact O-N 3.45Å; A157-V160 PolarHBondContact O-N 2.58Å; V160-G163 PolarHBondContact O-N 2.99Å; V160-Y164 PolarHBondContact O-N 3.01Å
161V98.5Very high96.2Very high0 Ų021.1 Ų21.10%014%0.139CC..Hα-helixtrans-64.1-41.4177.4172.90000111.5V68 L72 L74 V148 A157 P158 A159 Y164 L165 V180V68-V161 HydrophobicContact CB-CG1 4.38Å; V68-V161 HydrophobicContact CG1-CG1 3.89Å; V68-V161 HydrophobicContact CG2-CG1 4.11Å; L72-V161 HydrophobicContact CD2-CG1 3.98Å; L74-V161 HydrophobicContact CD1-CG2 4.21Å; V148-V161 HydrophobicContact CB-CG2 3.92Å; V148-V161 HydrophobicContact CG1-CG2 4.11Å; V148-V161 HydrophobicContact CG2-CG2 3.89Å; A157-V161 WeakPolarHBondContact O-CG2 3.3Å; A157-V161 PolarHBondContact O-N 3.35Å; P158-V161 PolarHBondContact O-N 2.69Å; A159-V161 VanDerWaalsContact C-N 3.35Å; A159-V161 PolarHBondContact O-N 3.25Å; V161-Y164 PolarHBondContact O-N 3.03Å; V161-L165 HydrophobicContact CG1-CD1 4.22Å; V161-L165 HydrophobicContact CG1-CG 4.49Å; V161-L165 VanDerWaalsContact O-CG 3.3Å; V161-L165 WeakPolarHBondContact O-CG 3.49Å; V161-L165 PolarHBondContact O-N 3.08Å; V161-V180 HydrophobicContact CB-CG2 4.29Å; V161-V180 HydrophobicContact CG1-CG2 3.6Å
162I98.4Very high96.3Very high0 Ų020.7 Ų20.70%014%0.141CC..Hα-helixtrans-60.1-49.9174.3-67.3162.7000109.9P158 A159 Y164 L165 M166 F173 A176 L177 V180 P189 L197P158-I162 WeakPolarHBondContact O-CD1 3.36Å; P158-I162 VanDerWaalsContact O-CG1 3.23Å; P158-I162 WeakPolarHBondContact O-CG1 3.49Å; P158-I162 PolarHBondContact O-N 2.88Å; A159-I162 PolarHBondContact O-N 2.92Å; I162-Y164 VanDerWaalsContact C-N 3.26Å; I162-Y164 PolarHBondContact O-N 2.84Å; I162-L165 PolarHBondContact O-N 3.39Å; I162-L165 VanDerWaalsContact O-N 3.14Å; I162-M166 HydrophobicContact CG2-CG 4.44Å; I162-M166 HydrophobicContact CG2-SD 3.91Å; I162-M166 WeakPolarHBondContact O-CG 3.35Å; I162-M166 PolarHBondContact O-N 3.46Å; I162-F173 HydrophobicContact CG2-CD2 4.22Å; I162-F173 HydrophobicContact CG2-CE2 4.37Å; I162-A176 HydrophobicContact CG2-CB 3.93Å; I162-L177 HydrophobicContact CD1-CB 4.42Å; I162-L177 HydrophobicContact CD1-CD1 3.62Å; I162-V180 HydrophobicContact CD1-CG1 4.49Å; I162-V180 HydrophobicContact CG1-CB 4.07Å; I162-V180 HydrophobicContact CG1-CG1 4.34Å; I162-V180 HydrophobicContact CG1-CG2 3.82Å; I162-P189 HydrophobicContact CD1-CG 3.92Å; I162-L197 HydrophobicContact CB-CD1 4.08Å; I162-L197 HydrophobicContact CG2-CD1 3.88Å
163G97.6Very high96.4Very high0 Ų018.6 Ų18.60%012%0.121CC..Hα-helixtrans-59.8-35.6178.200000113.3A159 V160 S167A159-G163 PolarHBondContact O-N 2.71Å; V160-G163 PolarHBondContact O-N 2.99Å; G163-S167 WeakPolarHBondContact O-CB 3.32Å; G163-S167 PolarHBondContact O-N 2.97Å; G163-S167 PolarHBondContact O-OG 2.89Å
164Y97.9Very high96.6Very high0 Ų024.3 Ų24.30%015%0.147CC..Hα-helixtrans-65.2-48.6173.5167.2-95.6000111.5Y71 L72 M129 C133 I136 Q137 V160 V161 I162 M166 S167 C168Y71-Y164 HydrophobicContact CE2-CE1 4.34Å; Y71-Y164 WeakPolarHBondContact CE2-OH 3.32Å; Y71-Y164 PolarHBondContact OH-OH 2.61Å; L72-Y164 HydrophobicContact CD2-CD1 3.54Å; L72-Y164 HydrophobicContact CD2-CE1 3.69Å; M129-Y164 VanDerWaalsContact CE-N 3.35Å; C133-Y164 HydrophobicContact CB-CD2 4.39Å; I136-Y164 HydrophobicContact CB-CD2 3.87Å; I136-Y164 HydrophobicContact CB-CE2 3.71Å; I136-Y164 HydrophobicContact CD1-CD1 4.43Å; I136-Y164 HydrophobicContact CD1-CD2 3.83Å; I136-Y164 HydrophobicContact CD1-CE2 4.49Å; I136-Y164 HydrophobicContact CD1-CG 3.79Å; I136-Y164 HydrophobicContact CG1-CD2 4.46Å; I136-Y164 HydrophobicContact CG2-CD1 4.24Å; I136-Y164 HydrophobicContact CG2-CD2 3.84Å; I136-Y164 HydrophobicContact CG2-CE1 3.85Å; I136-Y164 HydrophobicContact CG2-CE2 3.38Å; I136-Y164 HydrophobicContact CG2-CG 4.24Å; I136-Y164 VanDerWaalsContact CG2-CZ 3.4Å; Q137-Y164 HydrophobicContact CG-CE2 4.07Å; V160-Y164 PolarHBondContact O-N 3.01Å; V161-Y164 PolarHBondContact O-N 3.03Å; I162-Y164 VanDerWaalsContact C-N 3.26Å; I162-Y164 PolarHBondContact O-N 2.84Å; Y164-M166 PolarHBondContact O-N 3.35Å; Y164-S167 PolarHBondContact O-N 3.18Å; Y164-S167 PolarHBondContact O-OG 2.93Å; Y164-C168 HydrophobicContact CD2-CB 3.69Å; Y164-C168 HydrophobicContact CE2-CB 3.48Å; Y164-C168 VanDerWaalsContact CE2-CB 3.48Å; Y164-C168 HydrophobicContact CG-CB 4.45Å; Y164-C168 VanDerWaalsContact O-CB 3.29Å; Y164-C168 WeakPolarHBondContact O-CB 3.46Å; Y164-C168 PolarHBondContact O-N 2.91Å
165L97.8Very high96.6Very high0 Ų026 Ų260%016%0.155CC..Hα-helixtrans-59.1-38.1178.4-69.9170.8000111.6V68 K69 V161 I162 D169 G170 Q171 A176 L179 V180V68-L165 HydrophobicContact CG1-CD1 3.85Å; V68-L165 HydrophobicContact CG1-CD2 4.32Å; K69-L165 HydrophobicContact CD-CD2 4.15Å; V161-L165 HydrophobicContact CG1-CD1 4.22Å; V161-L165 HydrophobicContact CG1-CG 4.49Å; V161-L165 VanDerWaalsContact O-CG 3.3Å; V161-L165 WeakPolarHBondContact O-CG 3.49Å; V161-L165 PolarHBondContact O-N 3.08Å; I162-L165 PolarHBondContact O-N 3.39Å; I162-L165 VanDerWaalsContact O-N 3.14Å; L165-D169 HydrophobicContact CD2-CB 4.41Å; L165-D169 CarbonylContact O-C 3.05Å; L165-D169 WeakPolarHBondContact O-CA 3.44Å; L165-D169 VanDerWaalsContact O-CB 3.29Å; L165-D169 WeakPolarHBondContact O-CB 3.31Å; L165-D169 PolarHBondContact O-N 3.17Å; L165-G170 PolarHBondContact O-N 3.22Å; L165-Q171 HydrophobicContact CB-CB 4.32Å; L165-Q171 HydrophobicContact CB-CG 4.17Å; L165-Q171 WeakPolarHBondContact O-CB 3.18Å; L165-Q171 PolarHBondContact O-N 3.15Å; L165-A176 HydrophobicContact CB-CB 3.72Å; L165-A176 HydrophobicContact CD1-CB 4.04Å; L165-L179 HydrophobicContact CD1-CD2 3.93Å; L165-L179 HydrophobicContact CD2-CD2 4.14Å; L165-V180 HydrophobicContact CD1-CG2 3.86Å
166M97.1Very high96.6Very high8 Ų825.7 Ų25.74%0.03915%0.152CC..Hα-helixtrans-65.8-64.6174.3-66.1175.766.500110.7I162 Y164 C168 G170 Q171 F173 A176 L197 L202I162-M166 HydrophobicContact CG2-CG 4.44Å; I162-M166 HydrophobicContact CG2-SD 3.91Å; I162-M166 WeakPolarHBondContact O-CG 3.35Å; I162-M166 PolarHBondContact O-N 3.46Å; Y164-M166 PolarHBondContact O-N 3.35Å; M166-C168 PolarHBondContact O-N 2.74Å; M166-G170 WeakPolarHBondContact O-CA 3.26Å; M166-G170 PolarHBondContact O-N 2.71Å; M166-Q171 WeakPolarHBondContact CA-O 3.29Å; M166-F173 HydrophobicContact CE-CB 3.79Å; M166-F173 HydrophobicContact CE-CD2 4.44Å; M166-F173 HydrophobicContact SD-CB 3.96Å; M166-F173 HydrophobicContact SD-CD2 3.86Å; M166-F173 HydrophobicContact SD-CG 4.42Å; M166-A176 HydrophobicContact CG-CB 4.01Å; M166-L197 WeakPolarHBondContact CE-O 3.32Å; M166-L197 HydrophobicContact SD-CB 4.35Å; M166-L197 HydrophobicContact SD-CD2 4.34Å; M166-L202 HydrophobicContact CB-CD2 4.01Å; M166-L202 WeakPolarHBondContact O-CD2 3.47Å
167S93.2Very high96.6Very high40 Ų4026.7 Ų26.728%0.2816%0.159SC..Hα-helixtrans-66.4-35.6-170.757.80000115.2C133 G163 Y164C133-S167 PolarHBondContact SG-OG 2.91Å; G163-S167 WeakPolarHBondContact O-CB 3.32Å; G163-S167 PolarHBondContact O-N 2.97Å; G163-S167 PolarHBondContact O-OG 2.89Å; Y164-S167 PolarHBondContact O-N 3.18Å; Y164-S167 PolarHBondContact O-OG 2.93Å
168C92.6Very high96.6Very high41 Ų4130 Ų3028%0.27718%0.182SC..Hα-helixtrans-113-22.7-167.4-78.30000114.1C133 Q137 Y164 M166C133-C168 VanDerWaalsContact CB-SG 3.53Å; C133-C168 VanDerWaalsContact SG-SG 3.66Å; Q137-C168 HydrophobicContact CG-CB 4.49Å; Y164-C168 HydrophobicContact CD2-CB 3.69Å; Y164-C168 HydrophobicContact CE2-CB 3.48Å; Y164-C168 VanDerWaalsContact CE2-CB 3.48Å; Y164-C168 HydrophobicContact CG-CB 4.45Å; Y164-C168 VanDerWaalsContact O-CB 3.29Å; Y164-C168 WeakPolarHBondContact O-CB 3.46Å; Y164-C168 PolarHBondContact O-N 2.91Å; M166-C168 PolarHBondContact O-N 2.74Å
169D89.6Confident96.5Very high45 Ų4532.8 Ų32.824%0.24120%0.197CC..Hα-helixtrans-109.6-5.1178.4-163.877.8000112.1K69 L165 Q171K69-D169 VanDerWaalsContact CE-CG 3.48Å; K69-D169 WeakPolarHBondContact CE-OD1 3.24Å; K69-D169 WeakPolarHBondContact CE-OD2 3.43Å; K69-D169 IonicContact NZ-OD1 3.27Å; K69-D169 PolarHBondContact NZ-OD1 3.38Å; K69-D169 IonicContact NZ-OD2 3.62Å; K69-D169 PolarHBondContact NZ-OD2 3.07Å; L165-D169 HydrophobicContact CD2-CB 4.41Å; L165-D169 CarbonylContact O-C 3.05Å; L165-D169 WeakPolarHBondContact O-CA 3.44Å; L165-D169 VanDerWaalsContact O-CB 3.29Å; L165-D169 WeakPolarHBondContact O-CB 3.31Å; L165-D169 PolarHBondContact O-N 3.17Å; D169-Q171 VanDerWaalsContact C-N 3.3Å; D169-Q171 HydrophobicContact CB-CG 4.32Å; D169-Q171 PolarHBondContact O-N 3.47Å; D169-Q171 WeakPolarHBondContact OD2-CG 3.38Å; D169-Q171 PolarHBondContact OD2-NE2 3.4Å
170G92.3Very high96.5Very high58 Ų5832.9 Ų32.960%0.59820%0.197SC*.  trans72.319.3175.200000114.3L165 M166L165-G170 PolarHBondContact O-N 3.22Å; M166-G170 WeakPolarHBondContact O-CA 3.26Å; M166-G170 PolarHBondContact O-N 2.71Å
171Q96Very high96.5Very high59 Ų5936.5 Ų36.528%0.27621%0.213SC..  trans-74.1148.9179-61-71.9-10.500111.1L165 M166 D169 A176L165-Q171 HydrophobicContact CB-CB 4.32Å; L165-Q171 HydrophobicContact CB-CG 4.17Å; L165-Q171 WeakPolarHBondContact O-CB 3.18Å; L165-Q171 PolarHBondContact O-N 3.15Å; M166-Q171 WeakPolarHBondContact CA-O 3.29Å; D169-Q171 VanDerWaalsContact C-N 3.3Å; D169-Q171 HydrophobicContact CB-CG 4.32Å; D169-Q171 PolarHBondContact O-N 3.47Å; D169-Q171 WeakPolarHBondContact OD2-CG 3.38Å; D169-Q171 PolarHBondContact OD2-NE2 3.4Å; Q171-A176 HydrophobicContact CB-CB 4.11Å
172S96.8Very high96.4Very high44 Ų4441 Ų4131%0.30824%0.244SC..  trans-64.9159.9164.773.70000110.3E174 D175 A176S172-E174 VanDerWaalsContact C-N 3.27Å; S172-E174 PolarHBondContact O-N 3.01Å; S172-D175 PolarHBondContact O-N 2.75Å; S172-D175 WeakPolarHBondContact OG-CB 3.38Å; S172-D175 PolarHBondContact OG-N 3.45Å; S172-D175 PolarHBondContact OG-OD2 3.42Å; S172-A176 VanDerWaalsContact O-CB 3.29Å; S172-A176 WeakPolarHBondContact O-CB 3.26Å; S172-A176 PolarHBondContact O-N 2.76Å
173F96.9Very high96.4Very high13 Ų1342 Ų426%0.05725%0.253CS..Hα-helixtrans-57.7-44.1174.7168.6-99.2000111.2I162 M166 A176 L177 L194 L197 R198I162-F173 HydrophobicContact CG2-CD2 4.22Å; I162-F173 HydrophobicContact CG2-CE2 4.37Å; M166-F173 HydrophobicContact CE-CB 3.79Å; M166-F173 HydrophobicContact CE-CD2 4.44Å; M166-F173 HydrophobicContact SD-CB 3.96Å; M166-F173 HydrophobicContact SD-CD2 3.86Å; M166-F173 HydrophobicContact SD-CG 4.42Å; F173-A176 PolarHBondContact O-N 3.25Å; F173-L177 HydrophobicContact CE1-CD2 4.03Å; F173-L177 HydrophobicContact CZ-CD2 3.96Å; F173-L177 VanDerWaalsContact O-CB 3.26Å; F173-L177 WeakPolarHBondContact O-CB 3.48Å; F173-L177 PolarHBondContact O-N 2.72Å; F173-L194 HydrophobicContact CE2-CD2 4.25Å; F173-L194 HydrophobicContact CZ-CD2 4Å; F173-L197 HydrophobicContact CD2-CB 3.88Å; F173-L197 HydrophobicContact CE2-CB 3.8Å; F173-R198 HydrophobicContact CD1-CG 3.58Å; F173-R198 HydrophobicContact CD2-CG 4.12Å; F173-R198 HydrophobicContact CE1-CG 3.45Å; F173-R198 VanDerWaalsContact CE1-CG 3.45Å; F173-R198 VanDerWaalsContact CE1-NE 3.35Å; F173-R198 HydrophobicContact CE2-CG 3.98Å; F173-R198 HydrophobicContact CG-CG 3.92Å; F173-R198 HydrophobicContact CZ-CG 3.64Å
174E97.3Very high96.3Very high121 Ų12143.3 Ų43.357%0.56526%0.258SS*.Hα-helixtrans-62.5-45.6-179.3-69.869.5-155.400111.9S172 S178S172-E174 VanDerWaalsContact C-N 3.27Å; S172-E174 PolarHBondContact O-N 3.01Å; E174-S178 VanDerWaalsContact O-CB 3.24Å; E174-S178 WeakPolarHBondContact O-CB 3.28Å; E174-S178 PolarHBondContact O-N 3.25Å
175D97.5Very high96.2Very high91 Ų9147.7 Ų47.749%0.48729%0.286SS..Hα-helixtrans-67.8-42.9179.3-65.5-41.2000111.4S172 S178 L179S172-D175 PolarHBondContact O-N 2.75Å; S172-D175 WeakPolarHBondContact OG-CB 3.38Å; S172-D175 PolarHBondContact OG-N 3.45Å; S172-D175 PolarHBondContact OG-OD2 3.42Å; D175-S178 PolarHBondContact O-N 2.92Å; D175-L179 WeakPolarHBondContact O-CB 2.81Å; D175-L179 PolarHBondContact O-N 3.23Å
176A98Very high96Very high0 Ų050 Ų500%031%0.306CS..Hα-helixtrans-62.5-46.4177.600000111.8I162 L165 M166 Q171 S172 F173 L179 V180I162-A176 HydrophobicContact CG2-CB 3.93Å; L165-A176 HydrophobicContact CB-CB 3.72Å; L165-A176 HydrophobicContact CD1-CB 4.04Å; M166-A176 HydrophobicContact CG-CB 4.01Å; Q171-A176 HydrophobicContact CB-CB 4.11Å; S172-A176 VanDerWaalsContact O-CB 3.29Å; S172-A176 WeakPolarHBondContact O-CB 3.26Å; S172-A176 PolarHBondContact O-N 2.76Å; F173-A176 PolarHBondContact O-N 3.25Å; A176-L179 PolarHBondContact O-N 3.19Å; A176-V180 WeakPolarHBondContact O-CG2 3.27Å; A176-V180 PolarHBondContact O-N 2.73Å
177L97.6Very high96Very high40 Ų4049.7 Ų49.721%0.20930%0.304CS..Hα-helixtrans-61.8-44.9176.4177.562.9000111.3I162 F173 V180 K181 L194I162-L177 HydrophobicContact CD1-CB 4.42Å; I162-L177 HydrophobicContact CD1-CD1 3.62Å; F173-L177 HydrophobicContact CE1-CD2 4.03Å; F173-L177 HydrophobicContact CZ-CD2 3.96Å; F173-L177 VanDerWaalsContact O-CB 3.26Å; F173-L177 WeakPolarHBondContact O-CB 3.48Å; F173-L177 PolarHBondContact O-N 2.72Å; L177-V180 PolarHBondContact O-N 3.01Å; L177-K181 WeakPolarHBondContact O-CB 3.43Å; L177-K181 PolarHBondContact O-N 3.35Å; L177-L194 HydrophobicContact CD1-CD2 4.41Å
178S97.9Very high96.2Very high70 Ų7051.2 Ų51.249%0.4932%0.315SS..Hα-helixtrans-60.3-48.2178-172.90000111.2E174 D175 V180 K181 S182E174-S178 VanDerWaalsContact O-CB 3.24Å; E174-S178 WeakPolarHBondContact O-CB 3.28Å; E174-S178 PolarHBondContact O-N 3.25Å; D175-S178 PolarHBondContact O-N 2.92Å; S178-V180 VanDerWaalsContact C-N 3.35Å; S178-V180 PolarHBondContact O-N 2.7Å; S178-K181 PolarHBondContact O-N 2.87Å; S178-S182 PolarHBondContact O-N 2.77Å; S178-S182 PolarHBondContact O-OG 2.81Å
179L97.9Very high96.4Very high59 Ų5949.6 Ų49.631%0.30930%0.304SS..Hα-helixtrans-58.9-45.3178.5-176.864.2000111.9V68 L165 D175 A176 S182 A183V68-L179 HydrophobicContact CG1-CD2 3.89Å; V68-L179 HydrophobicContact CG1-CG 4.06Å; L165-L179 HydrophobicContact CD1-CD2 3.93Å; L165-L179 HydrophobicContact CD2-CD2 4.14Å; D175-L179 WeakPolarHBondContact O-CB 2.81Å; D175-L179 PolarHBondContact O-N 3.23Å; A176-L179 PolarHBondContact O-N 3.19Å; L179-S182 PolarHBondContact O-N 3.03Å; L179-A183 WeakPolarHBondContact O-CB 3.33Å; L179-A183 PolarHBondContact O-N 2.85Å
180V98.1Very high96.8Very high1 Ų148.3 Ų48.31%0.00630%0.297CS..Hα-helixtrans-65.8-39.4178168.70000111.6V68 L74 P158 V161 I162 L165 A176 L177 S178 A183 R184V68-V180 HydrophobicContact CG1-CG2 4.24Å; V68-V180 HydrophobicContact CG2-CG2 4.45Å; L74-V180 HydrophobicContact CD2-CG1 3.96Å; P158-V180 HydrophobicContact CB-CG1 3.89Å; V161-V180 HydrophobicContact CB-CG2 4.29Å; V161-V180 HydrophobicContact CG1-CG2 3.6Å; I162-V180 HydrophobicContact CD1-CG1 4.49Å; I162-V180 HydrophobicContact CG1-CB 4.07Å; I162-V180 HydrophobicContact CG1-CG1 4.34Å; I162-V180 HydrophobicContact CG1-CG2 3.82Å; L165-V180 HydrophobicContact CD1-CG2 3.86Å; A176-V180 WeakPolarHBondContact O-CG2 3.27Å; A176-V180 PolarHBondContact O-N 2.73Å; L177-V180 PolarHBondContact O-N 3.01Å; S178-V180 VanDerWaalsContact C-N 3.35Å; S178-V180 PolarHBondContact O-N 2.7Å; V180-A183 PolarHBondContact O-N 2.98Å; V180-R184 PolarHBondContact O-N 2.92Å
181K97.6Very high97.1Very high76 Ų7650.3 Ų50.333%0.3330%0.299SS..Hα-helixtrans-66.7-37.7174.5-90.6-58.1-156.6-1720113.1L177 S178 R184 P185 S187L177-K181 WeakPolarHBondContact O-CB 3.43Å; L177-K181 PolarHBondContact O-N 3.35Å; S178-K181 PolarHBondContact O-N 2.87Å; K181-R184 CarbonylContact O-C 3.53Å; K181-R184 PolarHBondContact O-N 2.92Å; K181-P185 PolarHBondContact NZ-O 2.83Å; K181-P185 VanDerWaalsContact O-CA 3.28Å; K181-P185 WeakPolarHBondContact O-CA 3.24Å; K181-P185 VanDerWaalsContact O-N 3.09Å; K181-S187 VanDerWaalsContact CD-O 3.27Å; K181-S187 WeakPolarHBondContact CD-O 3.34Å; K181-S187 WeakPolarHBondContact CE-O 3.46Å; K181-S187 VanDerWaalsContact NZ-C 3.31Å; K181-S187 PolarHBondContact NZ-O 3.34Å
182S97.4Very high97.2Very high94 Ų9447.9 Ų47.966%0.65729%0.29SS*.Hα-helixtrans-65.1-41.5174.1-62.70000111.5S178 L179S178-S182 PolarHBondContact O-N 2.77Å; S178-S182 PolarHBondContact O-OG 2.81Å; L179-S182 PolarHBondContact O-N 3.03Å
183A96.6Very high97.2Very high22 Ų2245.8 Ų45.818%0.18228%0.276CS..Hα-helixtrans-68.2-37.1176.900000112.5G66 V68 L179 V180G66-A183 VanDerWaalsContact CA-O 3.27Å; G66-A183 WeakPolarHBondContact CA-O 3.22Å; V68-A183 HydrophobicContact CG2-CB 3.74Å; L179-A183 WeakPolarHBondContact O-CB 3.33Å; L179-A183 PolarHBondContact O-N 2.85Å; V180-A183 PolarHBondContact O-N 2.98Å
184R95.9Very high97.3Very high27 Ų2746.7 Ų46.710%0.10228%0.281CS..  trans-144.598.1179-169.983.6-167.9116.6-8.6110.4D62 Q64 L74 V180 K181 A186 S187D62-R184 IonicContact OD1-NH2 3.25Å; D62-R184 PolarHBondContact OD1-NH2 3.09Å; D62-R184 IonicContact OD2-CZ 3.74Å; D62-R184 IonicContact OD2-NE 4Å; D62-R184 IonicContact OD2-NH2 2.71Å; D62-R184 PolarHBondContact OD2-NH2 3.09Å; Q64-R184 VanDerWaalsContact OE1-CZ 3.31Å; L74-R184 HydrophobicContact CD2-CB 3.89Å; L74-R184 HydrophobicContact CD2-CG 4.45Å; V180-R184 PolarHBondContact O-N 2.92Å; K181-R184 CarbonylContact O-C 3.53Å; K181-R184 PolarHBondContact O-N 2.92Å; R184-A186 HydrophobicContact CG-CB 4.43Å; R184-A186 PolarHBondContact O-N 2.95Å; R184-A186 VanDerWaalsContact O-N 3.08Å; R184-S187 WeakPolarHBondContact CB-OG 3.45Å; R184-S187 VanDerWaalsContact O-CB 3.26Å; R184-S187 WeakPolarHBondContact O-CB 3.29Å; R184-S187 PolarHBondContact O-N 3.26Å; R184-S187 PolarHBondContact O-OG 2.89Å
185P96.1Very high97.3Very high93 Ų9346.7 Ų46.760%0.60428%0.281SS*.THydrogen-bonded Turntrans-59.5-24.1-178.8-29.737000114.8K181 S187K181-P185 PolarHBondContact NZ-O 2.83Å; K181-P185 VanDerWaalsContact O-CA 3.28Å; K181-P185 WeakPolarHBondContact O-CA 3.24Å; K181-P185 VanDerWaalsContact O-N 3.09Å; P185-S187 VanDerWaalsContact C-N 3.3Å; P185-S187 PolarHBondContact O-N 3.2Å
186A94.6Very high97.3Very high49 Ų4944 Ų4441%0.40527%0.265SS..THydrogen-bonded Turntrans-71.6-18.2176.400000114R184 S188R184-A186 HydrophobicContact CG-CB 4.43Å; R184-A186 PolarHBondContact O-N 2.95Å; R184-A186 VanDerWaalsContact O-N 3.08Å; A186-S188 PolarHBondContact O-N 3.11Å
187S96.1Very high97.2Very high1 Ų144 Ų441%0.00727%0.265CS..  trans-59.8104.3-174-670000113.1L74 V154 P158 K181 R184 P185L74-S187 WeakPolarHBondContact CD2-OG 3.46Å; V154-S187 CarbonylContact O-C 3.52Å; P158-S187 WeakPolarHBondContact CG-OG 3.23Å; K181-S187 VanDerWaalsContact CD-O 3.27Å; K181-S187 WeakPolarHBondContact CD-O 3.34Å; K181-S187 WeakPolarHBondContact CE-O 3.46Å; K181-S187 VanDerWaalsContact NZ-C 3.31Å; K181-S187 PolarHBondContact NZ-O 3.34Å; R184-S187 WeakPolarHBondContact CB-OG 3.45Å; R184-S187 VanDerWaalsContact O-CB 3.26Å; R184-S187 WeakPolarHBondContact O-CB 3.29Å; R184-S187 PolarHBondContact O-N 3.26Å; R184-S187 PolarHBondContact O-OG 2.89Å; P185-S187 VanDerWaalsContact C-N 3.3Å; P185-S187 PolarHBondContact O-N 3.2Å
188S97.2Very high97.1Very high72 Ų7249.2 Ų49.250%0.50328%0.282SS..  trans-128.879.5-178.7-162.30000109.8V154 A186V154-S188 CarbonylContact O-C 3.41Å; V154-S188 WeakPolarHBondContact O-CA 3.1Å; V154-S188 PolarHBondContact O-N 3.32Å; A186-S188 PolarHBondContact O-N 3.11Å
189P97.7Very high96.9Very high7 Ų751.3 Ų51.35%0.04529%0.288CS..  trans-49.3141.8171.2-24.933.9000111.6P158 A159 I162 F193 L194P158-P189 HydrophobicContact CB-CG 4.14Å; A159-P189 HydrophobicContact CB-CB 4.11Å; A159-P189 HydrophobicContact CB-CG 4.37Å; I162-P189 HydrophobicContact CD1-CG 3.92Å; P189-F193 HydrophobicContact CB-CB 4.42Å; P189-L194 HydrophobicContact CB-CD2 3.68Å; P189-L194 HydrophobicContact CB-CG 3.94Å; P189-L194 HydrophobicContact CG-CD2 3.94Å
190N97.9Very high96.5Very high18 Ų1851.9 Ų51.910%0.09629%0.286CS..  trans-61.4156.3175.67853.4000110.8D119 P121 S155 G192 F193 L194D119-N190 PolarHBondContact OD1-ND2 2.91Å; P121-N190 WeakPolarHBondContact CA-OD1 3.36Å; S155-N190 PolarHBondContact OG-N 3.32Å; N190-G192 VanDerWaalsContact C-N 3.29Å; N190-G192 PolarHBondContact O-N 2.99Å; N190-G192 WeakPolarHBondContact OD1-CA 3.5Å; N190-G192 PolarHBondContact OD1-N 3.38Å; N190-F193 WeakPolarHBondContact ND2-CD2 3.33Å; N190-F193 WeakPolarHBondContact ND2-CE2 3.09Å; N190-F193 WeakPolarHBondContact ND2-CG 3.37Å; N190-F193 WeakPolarHBondContact ND2-CZ 3.48Å; N190-F193 PolarHBondContact O-N 3.27Å; N190-F193 PolarHBondContact OD1-N 3.43Å; N190-L194 PolarHBondContact O-N 3.33Å; N190-L194 VanDerWaalsContact O-N 3.12Å
191P97.8Very high95.2Very high100 Ų10060.8 Ų60.865%0.64933%0.325SS*.Hα-helixtrans-58.1-36.3-175.8-27.836.3000114.6L194 E195P191-L194 PolarHBondContact O-N 3.04Å; P191-E195 PolarHBondContact O-N 3.46Å
192G97.8Very high93.4Very high8 Ų864.7 Ų64.78%0.08235%0.349CS..Hα-helixtrans-65.5-41.9179.100000112.2P121 N190 E195 Q196P121-G192 WeakPolarHBondContact O-CA 3.22Å; N190-G192 VanDerWaalsContact C-N 3.29Å; N190-G192 PolarHBondContact O-N 2.99Å; N190-G192 WeakPolarHBondContact OD1-CA 3.5Å; N190-G192 PolarHBondContact OD1-N 3.38Å; G192-E195 PolarHBondContact O-N 3.08Å; G192-Q196 WeakPolarHBondContact O-CB 3.48Å; G192-Q196 VanDerWaalsContact O-CG 3.28Å; G192-Q196 WeakPolarHBondContact O-CG 3.42Å; G192-Q196 PolarHBondContact O-N 3.49Å
193F98Very high93.2Very high0 Ų063.2 Ų63.20%033%0.333CS..Hα-helixtrans-63.1-42172.9-67.1-15.6000112.3I117 L118 A123 L125 R156 A159 P189 N190 E195 Q196 L197I117-F193 HydrophobicContact CG2-CZ 3.9Å; L118-F193 WeakPolarHBondContact O-CZ 3.3Å; A123-F193 HydrophobicContact CB-CE1 4.06Å; A123-F193 HydrophobicContact CB-CZ 4.4Å; A123-F193 WeakPolarHBondContact O-CE1 3.44Å; L125-F193 HydrophobicContact CB-CD1 3.82Å; L125-F193 HydrophobicContact CB-CE1 4.04Å; L125-F193 HydrophobicContact CD2-CB 4.14Å; L125-F193 HydrophobicContact CD2-CD1 4.3Å; L125-F193 HydrophobicContact CD2-CG 4.18Å; L125-F193 HydrophobicContact CG-CD1 4.49Å; R156-F193 HydrophobicContact CB-CE2 4.42Å; R156-F193 HydrophobicContact CG-CE2 3.66Å; R156-F193 HydrophobicContact CG-CZ 4.1Å; A159-F193 HydrophobicContact CB-CB 4Å; A159-F193 HydrophobicContact CB-CD2 3.72Å; A159-F193 HydrophobicContact CB-CG 4.13Å; P189-F193 HydrophobicContact CB-CB 4.42Å; N190-F193 WeakPolarHBondContact ND2-CD2 3.33Å; N190-F193 WeakPolarHBondContact ND2-CE2 3.09Å; N190-F193 WeakPolarHBondContact ND2-CG 3.37Å; N190-F193 WeakPolarHBondContact ND2-CZ 3.48Å; N190-F193 PolarHBondContact O-N 3.27Å; N190-F193 PolarHBondContact OD1-N 3.43Å; F193-E195 VanDerWaalsContact C-N 3.32Å; F193-E195 PolarHBondContact O-N 2.72Å; F193-Q196 PolarHBondContact O-N 3.37Å; F193-L197 WeakPolarHBondContact O-CB 3.34Å; F193-L197 WeakPolarHBondContact O-CD1 3.28Å; F193-L197 WeakPolarHBondContact O-CG 3.46Å; F193-L197 PolarHBondContact O-N 3.42Å
194L97.6Very high93Very high32 Ų3265.4 Ų65.417%0.16834%0.341CS..Hα-helixtrans-63.1-40.2176.9-66176.6000111.8F173 L177 P189 N190 P191 R198F173-L194 HydrophobicContact CE2-CD2 4.25Å; F173-L194 HydrophobicContact CZ-CD2 4Å; L177-L194 HydrophobicContact CD1-CD2 4.41Å; P189-L194 HydrophobicContact CB-CD2 3.68Å; P189-L194 HydrophobicContact CB-CG 3.94Å; P189-L194 HydrophobicContact CG-CD2 3.94Å; N190-L194 PolarHBondContact O-N 3.33Å; N190-L194 VanDerWaalsContact O-N 3.12Å; P191-L194 PolarHBondContact O-N 3.04Å; L194-R198 WeakPolarHBondContact O-CB 3.33Å; L194-R198 WeakPolarHBondContact O-CG 3.5Å; L194-R198 PolarHBondContact O-N 3.06Å
195E97.4Very high92.9Very high121 Ų12167.5 Ų67.557%0.56535%0.354SS*.Hα-helixtrans-65.3-47.3176.5-177.3173.3-172.200111.7P191 G192 F193 L197 R198 N199P191-E195 PolarHBondContact O-N 3.46Å; G192-E195 PolarHBondContact O-N 3.08Å; F193-E195 VanDerWaalsContact C-N 3.32Å; F193-E195 PolarHBondContact O-N 2.72Å; E195-L197 VanDerWaalsContact C-N 3.32Å; E195-L197 PolarHBondContact O-N 3.35Å; E195-R198 PolarHBondContact O-N 2.88Å; E195-N199 WeakPolarHBondContact O-CB 3.47Å; E195-N199 PolarHBondContact O-N 3Å; E195-N199 PolarHBondContact O-ND2 3.06Å
196Q97.2Very high92.7Very high35 Ų3566 Ų6616%0.16434%0.34CS..Hα-helixtrans-57.3-45.2175.5-72.6174.744.100111.6A123 L126 G192 F193 N199 Y200A123-Q196 PolarHBondContact O-NE2 2.81Å; L126-Q196 HydrophobicContact CD1-CB 4.33Å; L126-Q196 HydrophobicContact CG-CB 4.23Å; G192-Q196 WeakPolarHBondContact O-CB 3.48Å; G192-Q196 VanDerWaalsContact O-CG 3.28Å; G192-Q196 WeakPolarHBondContact O-CG 3.42Å; G192-Q196 PolarHBondContact O-N 3.49Å; F193-Q196 PolarHBondContact O-N 3.37Å; Q196-N199 CarbonylContact O-C 3.32Å; Q196-N199 PolarHBondContact O-N 3Å; Q196-Y200 WeakPolarHBondContact O-CB 3.43Å; Q196-Y200 PolarHBondContact O-N 3.27Å
197L96.9Very high92.6Very high0 Ų067.1 Ų67.10%034%0.336CS..Hα-helixtrans-67.3-40.8179-71.5167.7000112.7L125 A159 I162 M166 F173 F193 E195 N199 Y200L125-L197 HydrophobicContact CD2-CD1 4.05Å; L125-L197 HydrophobicContact CD2-CD2 4.07Å; L125-L197 HydrophobicContact CD2-CG 3.96Å; A159-L197 HydrophobicContact CB-CD1 4.27Å; I162-L197 HydrophobicContact CB-CD1 4.08Å; I162-L197 HydrophobicContact CG2-CD1 3.88Å; M166-L197 WeakPolarHBondContact CE-O 3.32Å; M166-L197 HydrophobicContact SD-CB 4.35Å; M166-L197 HydrophobicContact SD-CD2 4.34Å; F173-L197 HydrophobicContact CD2-CB 3.88Å; F173-L197 HydrophobicContact CE2-CB 3.8Å; F193-L197 WeakPolarHBondContact O-CB 3.34Å; F193-L197 WeakPolarHBondContact O-CD1 3.28Å; F193-L197 WeakPolarHBondContact O-CG 3.46Å; F193-L197 PolarHBondContact O-N 3.42Å; E195-L197 VanDerWaalsContact C-N 3.32Å; E195-L197 PolarHBondContact O-N 3.35Å; L197-N199 VanDerWaalsContact C-N 3.27Å; L197-N199 PolarHBondContact O-N 3.12Å; L197-Y200 VanDerWaalsContact O-CB 3.26Å; L197-Y200 WeakPolarHBondContact O-CB 3.31Å; L197-Y200 PolarHBondContact O-N 2.76Å; L197-Y200 VanDerWaalsContact O-N 3.17Å
198R95.4Very high92.3Very high149 Ų14971.5 Ų71.556%0.56236%0.358SS*.Hα-helixtrans-61.8-37.3174.8-79.3177.9-174.1141.81.8112.7F173 L194 E195 Y200F173-R198 HydrophobicContact CD1-CG 3.58Å; F173-R198 HydrophobicContact CD2-CG 4.12Å; F173-R198 HydrophobicContact CE1-CG 3.45Å; F173-R198 VanDerWaalsContact CE1-CG 3.45Å; F173-R198 VanDerWaalsContact CE1-NE 3.35Å; F173-R198 HydrophobicContact CE2-CG 3.98Å; F173-R198 HydrophobicContact CG-CG 3.92Å; F173-R198 HydrophobicContact CZ-CG 3.64Å; L194-R198 WeakPolarHBondContact O-CB 3.33Å; L194-R198 WeakPolarHBondContact O-CG 3.5Å; L194-R198 PolarHBondContact O-N 3.06Å; E195-R198 PolarHBondContact O-N 2.88Å; R198-Y200 VanDerWaalsContact C-N 3.28Å
199N93.5Very high92Very high113 Ų11371.4 Ų71.460%0.60435%0.347SS*.THydrogen-bonded Turntrans-85.7-4.3179.7-66.2-31.9000112.7E195 Q196 L197 K201E195-N199 WeakPolarHBondContact O-CB 3.47Å; E195-N199 PolarHBondContact O-N 3Å; E195-N199 PolarHBondContact O-ND2 3.06Å; Q196-N199 CarbonylContact O-C 3.32Å; Q196-N199 PolarHBondContact O-N 3Å; L197-N199 VanDerWaalsContact C-N 3.27Å; L197-N199 PolarHBondContact O-N 3.12Å; N199-K201 PolarHBondContact O-N 3.41Å
200Y89.1Confident91.5Very high72 Ų7276.4 Ų76.428%0.28237%0.37SS..  trans-72.5115.3-179.9-171-117.4000110.1L126 Q196 L197 R198L126-Y200 HydrophobicContact CD1-CD2 3.83Å; L126-Y200 HydrophobicContact CD2-CD2 3.48Å; L126-Y200 VanDerWaalsContact CD2-CD2 3.48Å; L126-Y200 HydrophobicContact CD2-CE2 3.98Å; L126-Y200 HydrophobicContact CD2-CG 3.9Å; L126-Y200 HydrophobicContact CG-CD2 4.19Å; Q196-Y200 WeakPolarHBondContact O-CB 3.43Å; Q196-Y200 PolarHBondContact O-N 3.27Å; L197-Y200 VanDerWaalsContact O-CB 3.26Å; L197-Y200 WeakPolarHBondContact O-CB 3.31Å; L197-Y200 PolarHBondContact O-N 2.76Å; L197-Y200 VanDerWaalsContact O-N 3.17Å; R198-Y200 VanDerWaalsContact C-N 3.28Å
201K71.3Confident91Very high187 Ų18781.3 Ų81.381%0.81339%0.393SS*.  trans-86.5127.6177.7-65.5-176.5-179.8179.40109.5N199N199-K201 PolarHBondContact O-N 3.41Å
202L60Low90.4Very high158 Ų15879.5 Ų79.583%0.82737%0.37SS*.  trans-65.80173-62.6176.1000111.8M166M166-L202 HydrophobicContact CB-CD2 4.01Å; M166-L202 WeakPolarHBondContact O-CD2 3.47Å

Retrieved 202 of 202 residues in 120.9 ms (Link to these results)

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