A0A077ZFN3_TRITR Loading...

Abhydrolase 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFN3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 290 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M82.8Confident94.7Very high190 Ų19078.7 Ų78.794%0.93638%0.384SS*.  0139.30-176.6174.9-173.900107.9Y3M1-Y3 HydrophobicContact CE-CE1 4.34Å; M1-Y3 HydrophobicContact CG-CE1 4.41Å; M1-Y3 HydrophobicContact SD-CE1 4.18Å
2R91Very high95Very high68 Ų6874.1 Ų74.126%0.25736%0.36SS..  trans-113.3137.7-179.8-72.3-179.8169.7-93.7-7111.6P274 L275 K276 S278 L279R2-P274 WeakPolarHBondContact CA-O 3.41Å; R2-P274 WeakPolarHBondContact CB-O 3.39Å; R2-P274 HydrophobicContact CG-CB 4.41Å; R2-L275 WeakPolarHBondContact CD-O 3.5Å; R2-L275 PolarHBondContact NH1-O 2.97Å; R2-K276 HydrophobicContact CB-CG 4.18Å; R2-S278 PolarHBondContact NH1-OG 3.02Å; R2-L279 VanDerWaalsContact NH2-CD2 3.34Å
3Y92.9Very high95.1Very high105 Ų10580.5 Ų80.541%0.41239%0.385SS..BIsolated β-bridgetrans-104.6156.3-177.1-56.6-76.2000111M1 L7 V8 P274 L275 K276M1-Y3 HydrophobicContact CE-CE1 4.34Å; M1-Y3 HydrophobicContact CG-CE1 4.41Å; M1-Y3 HydrophobicContact SD-CE1 4.18Å; Y3-L7 HydrophobicContact CD1-CD2 4.34Å; Y3-V8 HydrophobicContact CG-CG2 4.45Å; Y3-P274 PolarHBondContact N-O 2.97Å; Y3-P274 VanDerWaalsContact N-O 3.14Å; Y3-L275 CarbonylContact O-C 3.52Å; Y3-L275 WeakPolarHBondContact O-CA 3.35Å; Y3-K276 PolarHBondContact O-N 3.21Å
4S96Very high95.2Very high40 Ų4083.9 Ų83.928%0.2841%0.413SS..  trans-69.8140.4169.4590000110.1K6 L7 V8S4-K6 PolarHBondContact O-N 3.49Å; S4-L7 PolarHBondContact O-N 3.34Å; S4-L7 VanDerWaalsContact O-N 3.09Å; S4-L7 VanDerWaalsContact OG-CB 3.28Å; S4-L7 WeakPolarHBondContact OG-CB 3.4Å; S4-L7 PolarHBondContact OG-N 3.33Å; S4-V8 PolarHBondContact O-N 3.12Å
5A96.7Very high95.3Very high0 Ų083.8 Ų83.80%041%0.414CS..Hα-helixtrans-52.2-41.6174.200000111.9L7 V8 K9 M266 L275 E277A5-L7 PolarHBondContact O-N 3.3Å; A5-V8 PolarHBondContact O-N 2.72Å; A5-K9 WeakPolarHBondContact O-CB 3.3Å; A5-K9 VanDerWaalsContact O-CG 3.3Å; A5-K9 WeakPolarHBondContact O-CG 3.29Å; A5-K9 PolarHBondContact O-N 3Å; A5-M266 HydrophobicContact CB-CE 3.67Å; A5-M266 HydrophobicContact CB-SD 3.65Å; A5-L275 HydrophobicContact CB-CD1 3.99Å; A5-E277 HydrophobicContact CB-CG 4.23Å; A5-E277 VanDerWaalsContact N-CD 3.25Å; A5-E277 PolarHBondContact N-OE1 2.87Å; A5-E277 PolarHBondContact N-OE2 3.36Å
6K96.5Very high95.3Very high160 Ų16083.3 Ų83.370%0.69641%0.413SS*.Hα-helixtrans-55.9-46.1177.8-174.7178.2-178.7178.60112.9S4 N10S4-K6 PolarHBondContact O-N 3.49Å; K6-N10 VanDerWaalsContact O-CG 3.26Å; K6-N10 PolarHBondContact O-N 2.86Å; K6-N10 VanDerWaalsContact O-N 3.13Å; K6-N10 PolarHBondContact O-ND2 3.23Å
7L96.4Very high95.5Very high91 Ų9180.8 Ų80.848%0.47640%0.4SS..Hα-helixtrans-63.4-48.2177.6177.764000110.9Y3 S4 A5 N10 V11Y3-L7 HydrophobicContact CD1-CD2 4.34Å; S4-L7 PolarHBondContact O-N 3.34Å; S4-L7 VanDerWaalsContact O-N 3.09Å; S4-L7 VanDerWaalsContact OG-CB 3.28Å; S4-L7 WeakPolarHBondContact OG-CB 3.4Å; S4-L7 PolarHBondContact OG-N 3.33Å; A5-L7 PolarHBondContact O-N 3.3Å; L7-N10 PolarHBondContact O-N 2.76Å; L7-V11 WeakPolarHBondContact O-CG2 3.45Å; L7-V11 PolarHBondContact O-N 3.04Å
8V97.1Very high95.6Very high18 Ų1878.6 Ų78.611%0.10939%0.388CS..Hα-helixtrans-62.8-45.6-178.4175.20000111.2Y3 S4 A5 N10 V11 F12 M267 L275Y3-V8 HydrophobicContact CG-CG2 4.45Å; S4-V8 PolarHBondContact O-N 3.12Å; A5-V8 PolarHBondContact O-N 2.72Å; V8-N10 VanDerWaalsContact C-N 3.31Å; V8-N10 PolarHBondContact O-N 3.17Å; V8-V11 PolarHBondContact O-N 3.36Å; V8-V11 VanDerWaalsContact O-N 3.17Å; V8-F12 HydrophobicContact CG1-CD1 4.14Å; V8-F12 HydrophobicContact CG1-CD2 3.94Å; V8-F12 HydrophobicContact CG1-CE1 3.76Å; V8-F12 HydrophobicContact CG1-CE2 3.52Å; V8-F12 HydrophobicContact CG1-CG 4.24Å; V8-F12 HydrophobicContact CG1-CZ 3.44Å; V8-F12 VanDerWaalsContact CG1-CZ 3.44Å; V8-F12 WeakPolarHBondContact O-CB 3.49Å; V8-F12 WeakPolarHBondContact O-CG 3.27Å; V8-F12 PolarHBondContact O-N 3.05Å; V8-M267 HydrophobicContact CG1-CE 4.09Å; V8-M267 HydrophobicContact CG1-SD 4.45Å; V8-L275 HydrophobicContact CB-CD2 3.98Å; V8-L275 HydrophobicContact CG1-CD2 4.31Å; V8-L275 HydrophobicContact CG2-CD2 3.59Å
9K97.4Very high95.6Very high34 Ų3481.5 Ų81.515%0.14840%0.398CS..Hα-helixtrans-57.5-42.7175.1-71.7177.571.4-1790112.3A5 F12 K13 V191 D236 G265 M267A5-K9 WeakPolarHBondContact O-CB 3.3Å; A5-K9 VanDerWaalsContact O-CG 3.3Å; A5-K9 WeakPolarHBondContact O-CG 3.29Å; A5-K9 PolarHBondContact O-N 3Å; K9-F12 PolarHBondContact O-N 3.05Å; K9-K13 WeakPolarHBondContact O-CB 3.24Å; K9-K13 PolarHBondContact O-N 3.26Å; K9-V191 HydrophobicContact CB-CG2 4.44Å; K9-V191 HydrophobicContact CG-CG2 4.1Å; K9-D236 IonicContact NZ-OD2 2.7Å; K9-D236 PolarHBondContact NZ-OD2 3.45Å; K9-G265 PolarHBondContact NZ-O 3.03Å; K9-M267 HydrophobicContact CD-CB 4.32Å; K9-M267 HydrophobicContact CG-CB 4.22Å; K9-M267 HydrophobicContact CG-CG 4.43Å; K9-M267 HydrophobicContact CG-SD 3.8Å
10N97.1Very high95.7Very high89 Ų8982.4 Ų82.448%0.47641%0.405SS..Hα-helixtrans-63.2-44.2177.2-75.1-15.8000111.6K6 L7 V8 K13 V14K6-N10 VanDerWaalsContact O-CG 3.26Å; K6-N10 PolarHBondContact O-N 2.86Å; K6-N10 VanDerWaalsContact O-N 3.13Å; K6-N10 PolarHBondContact O-ND2 3.23Å; L7-N10 PolarHBondContact O-N 2.76Å; V8-N10 VanDerWaalsContact C-N 3.31Å; V8-N10 PolarHBondContact O-N 3.17Å; N10-K13 PolarHBondContact O-N 2.97Å; N10-V14 WeakPolarHBondContact O-CG2 3.41Å; N10-V14 PolarHBondContact O-N 3.26Å
11V97.6Very high95.7Very high71 Ų7179.7 Ų79.743%0.4339%0.393SS..Hα-helixtrans-61.5-48.8176172.90000110.5L7 V8 K13 V14 I15L7-V11 WeakPolarHBondContact O-CG2 3.45Å; L7-V11 PolarHBondContact O-N 3.04Å; V8-V11 PolarHBondContact O-N 3.36Å; V8-V11 VanDerWaalsContact O-N 3.17Å; V11-K13 VanDerWaalsContact C-N 3.29Å; V11-K13 PolarHBondContact O-N 3.14Å; V11-V14 PolarHBondContact O-N 3.43Å; V11-V14 VanDerWaalsContact O-N 3.1Å; V11-I15 HydrophobicContact CG1-CD1 4.46Å; V11-I15 WeakPolarHBondContact O-CG1 3.47Å; V11-I15 PolarHBondContact O-N 3.22Å; V11-I15 VanDerWaalsContact O-N 3.08Å
12F98Very high96.3Very high23 Ų2370.8 Ų70.810%0.10135%0.35CS..Hα-helixtrans-60.1-38.9180-73.63000112.2V8 K9 I15 N16 M17 V191 L192 M267 Y273V8-F12 HydrophobicContact CG1-CD1 4.14Å; V8-F12 HydrophobicContact CG1-CD2 3.94Å; V8-F12 HydrophobicContact CG1-CE1 3.76Å; V8-F12 HydrophobicContact CG1-CE2 3.52Å; V8-F12 HydrophobicContact CG1-CG 4.24Å; V8-F12 HydrophobicContact CG1-CZ 3.44Å; V8-F12 VanDerWaalsContact CG1-CZ 3.44Å; V8-F12 WeakPolarHBondContact O-CB 3.49Å; V8-F12 WeakPolarHBondContact O-CG 3.27Å; V8-F12 PolarHBondContact O-N 3.05Å; K9-F12 PolarHBondContact O-N 3.05Å; F12-I15 HydrophobicContact CD1-CD1 4.48Å; F12-N16 PolarHBondContact O-N 2.65Å; F12-N16 VanDerWaalsContact O-N 3.1Å; F12-M17 HydrophobicContact CB-CB 3.7Å; F12-M17 HydrophobicContact CB-CG 4.39Å; F12-M17 HydrophobicContact CD1-CB 4.25Å; F12-M17 HydrophobicContact CD1-CE 3.72Å; F12-M17 HydrophobicContact CD1-CG 4.23Å; F12-M17 HydrophobicContact CD2-CB 4.46Å; F12-M17 HydrophobicContact CD2-CG 4.26Å; F12-M17 HydrophobicContact CE1-CE 3.54Å; F12-M17 HydrophobicContact CG-CB 3.9Å; F12-M17 HydrophobicContact CG-CE 4.46Å; F12-M17 HydrophobicContact CG-CG 4.05Å; F12-M17 HydrophobicContact CZ-CE 4.14Å; F12-M17 PolarHBondContact O-N 2.89Å; F12-V191 HydrophobicContact CB-CB 4.09Å; F12-V191 HydrophobicContact CB-CG2 4.21Å; F12-V191 HydrophobicContact CD2-CG2 4.24Å; F12-L192 HydrophobicContact CD2-CD1 4.45Å; F12-L192 HydrophobicContact CD2-CD2 3.72Å; F12-L192 HydrophobicContact CD2-CG 3.93Å; F12-L192 HydrophobicContact CE2-CD1 4.24Å; F12-L192 HydrophobicContact CE2-CD2 3.63Å; F12-L192 HydrophobicContact CE2-CG 4.08Å; F12-M267 HydrophobicContact CD2-CE 4.41Å; F12-M267 HydrophobicContact CD2-SD 4.09Å; F12-M267 HydrophobicContact CE2-CE 3.85Å; F12-M267 HydrophobicContact CE2-SD 4.14Å; F12-Y273 HydrophobicContact CE2-CD1 4.47Å; F12-Y273 AromaticContact CE2-CE1 3.95Å; F12-Y273 HydrophobicContact CE2-CE1 3.95Å; F12-Y273 HydrophobicContact CZ-CD1 4.29Å; F12-Y273 AromaticContact CZ-CE1 3.78Å; F12-Y273 HydrophobicContact CZ-CE1 3.78Å
13K96.2Very high96.6Very high158 Ų15870 Ų7069%0.68736%0.358SS*.Hα-helixtrans-63.7-44.2173.9-172.9175.4-178.9176.10112.3K9 N10 V11 I15 N16 V191K9-K13 WeakPolarHBondContact O-CB 3.24Å; K9-K13 PolarHBondContact O-N 3.26Å; N10-K13 PolarHBondContact O-N 2.97Å; V11-K13 VanDerWaalsContact C-N 3.29Å; V11-K13 PolarHBondContact O-N 3.14Å; K13-I15 PolarHBondContact O-N 2.91Å; K13-N16 PolarHBondContact O-N 3.45Å; K13-V191 HydrophobicContact CB-CG1 4.38Å
14V97.1Very high96.8Very high128 Ų12867.6 Ų67.678%0.77635%0.354SS*.Hα-helixtrans-63-41.4-179.3168.50000111.7N10 V11 N16N10-V14 WeakPolarHBondContact O-CG2 3.41Å; N10-V14 PolarHBondContact O-N 3.26Å; V11-V14 PolarHBondContact O-N 3.43Å; V11-V14 VanDerWaalsContact O-N 3.1Å; V14-N16 VanDerWaalsContact C-N 3.3Å
15I97.1Very high96.9Very high82 Ų8266.3 Ų66.342%0.42134%0.344SS..THydrogen-bonded Turntrans-88.63.3-179.469.9-177.8000113.5V11 F12 K13 M17V11-I15 HydrophobicContact CG1-CD1 4.46Å; V11-I15 WeakPolarHBondContact O-CG1 3.47Å; V11-I15 PolarHBondContact O-N 3.22Å; V11-I15 VanDerWaalsContact O-N 3.08Å; F12-I15 HydrophobicContact CD1-CD1 4.48Å; K13-I15 PolarHBondContact O-N 2.91Å; I15-M17 VanDerWaalsContact C-N 3.33Å; I15-M17 HydrophobicContact CD1-CB 4.43Å; I15-M17 HydrophobicContact CD1-CE 3.62Å; I15-M17 HydrophobicContact CD1-SD 4.33Å; I15-M17 HydrophobicContact CG1-CB 4.15Å; I15-M17 PolarHBondContact O-N 2.73Å
16N95.7Very high96.9Very high76 Ų7667.5 Ų67.541%0.40635%0.351SS..THydrogen-bonded Turntrans50.351-173.9-164.78.9000112.8F12 K13 V14 K18 K19F12-N16 PolarHBondContact O-N 2.65Å; F12-N16 VanDerWaalsContact O-N 3.1Å; K13-N16 PolarHBondContact O-N 3.45Å; V14-N16 VanDerWaalsContact C-N 3.3Å; N16-K18 PolarHBondContact O-N 3.01Å; N16-K18 VanDerWaalsContact O-N 3.17Å; N16-K19 PolarHBondContact O-N 3.49Å
17M97.4Very high96.8Very high40 Ų4066.1 Ų66.120%0.19735%0.351CS..Hα-helixtrans-52.5-41.6-173-176.961.593.800112.3F12 I15 K19 L20 V21 L192F12-M17 HydrophobicContact CB-CB 3.7Å; F12-M17 HydrophobicContact CB-CG 4.39Å; F12-M17 HydrophobicContact CD1-CB 4.25Å; F12-M17 HydrophobicContact CD1-CE 3.72Å; F12-M17 HydrophobicContact CD1-CG 4.23Å; F12-M17 HydrophobicContact CD2-CB 4.46Å; F12-M17 HydrophobicContact CD2-CG 4.26Å; F12-M17 HydrophobicContact CE1-CE 3.54Å; F12-M17 HydrophobicContact CG-CB 3.9Å; F12-M17 HydrophobicContact CG-CE 4.46Å; F12-M17 HydrophobicContact CG-CG 4.05Å; F12-M17 HydrophobicContact CZ-CE 4.14Å; F12-M17 PolarHBondContact O-N 2.89Å; I15-M17 VanDerWaalsContact C-N 3.33Å; I15-M17 HydrophobicContact CD1-CB 4.43Å; I15-M17 HydrophobicContact CD1-CE 3.62Å; I15-M17 HydrophobicContact CD1-SD 4.33Å; I15-M17 HydrophobicContact CG1-CB 4.15Å; I15-M17 PolarHBondContact O-N 2.73Å; M17-K19 VanDerWaalsContact C-N 3.26Å; M17-K19 PolarHBondContact O-N 2.88Å; M17-L20 WeakPolarHBondContact O-CB 3.29Å; M17-L20 PolarHBondContact O-N 2.77Å; M17-V21 HydrophobicContact CG-CG2 3.83Å; M17-V21 WeakPolarHBondContact O-CG2 3.35Å; M17-V21 PolarHBondContact O-N 2.91Å; M17-V21 HydrophobicContact SD-CG2 3.88Å; M17-L192 HydrophobicContact CG-CD2 3.79Å
18K97Very high96.8Very high41 Ų4162.6 Ų62.618%0.17833%0.334CS..Hα-helixtrans-57.1-34.3179.265.5174.5179.1177.80115.3N16 G22 Q187 V191 L192 L193 E194N16-K18 PolarHBondContact O-N 3.01Å; N16-K18 VanDerWaalsContact O-N 3.17Å; K18-G22 PolarHBondContact O-N 3.07Å; K18-Q187 PolarHBondContact NZ-O 3.27Å; K18-V191 PolarHBondContact N-O 3.4Å; K18-L192 VanDerWaalsContact CA-O 3.24Å; K18-L192 WeakPolarHBondContact CA-O 3.47Å; K18-L192 WeakPolarHBondContact CB-O 3.47Å; K18-L193 WeakPolarHBondContact CD-O 3.48Å; K18-E194 HydrophobicContact CB-CB 4.32Å; K18-E194 HydrophobicContact CD-CB 4.25Å; K18-E194 HydrophobicContact CD-CG 4.43Å; K18-E194 HydrophobicContact CG-CB 4.35Å
19K96.6Very high96.6Very high134 Ų13465.5 Ų65.558%0.58335%0.353SS*.Hα-helixtrans-70.8-37.9176.3-172.7173.8-177.8176.50111N16 M17 A23N16-K19 PolarHBondContact O-N 3.49Å; M17-K19 VanDerWaalsContact C-N 3.26Å; M17-K19 PolarHBondContact O-N 2.88Å; K19-A23 VanDerWaalsContact O-CB 3.27Å; K19-A23 WeakPolarHBondContact O-CB 3.3Å; K19-A23 PolarHBondContact O-N 2.88Å
20L96.5Very high96.2Very high100 Ų10072.8 Ų72.852%0.52439%0.385SS..Hα-helixtrans-67.3-48.9176.9-63.6173000111M17 A23 T24M17-L20 WeakPolarHBondContact O-CB 3.29Å; M17-L20 PolarHBondContact O-N 2.77Å; L20-A23 PolarHBondContact O-N 3.23Å; L20-T24 WeakPolarHBondContact O-CG2 3.06Å; L20-T24 PolarHBondContact O-N 3.47Å; L20-T24 VanDerWaalsContact O-N 3.17Å; L20-T24 PolarHBondContact O-OG1 3.4Å
21V95.9Very high95.7Very high26 Ų2671.9 Ų71.916%0.15837%0.374CS..Hα-helixtrans-61.4-50.7178.6173.80000110.4M17 A23 T24 M25 L192M17-V21 HydrophobicContact CG-CG2 3.83Å; M17-V21 WeakPolarHBondContact O-CG2 3.35Å; M17-V21 PolarHBondContact O-N 2.91Å; M17-V21 HydrophobicContact SD-CG2 3.88Å; V21-A23 PolarHBondContact O-N 2.94Å; V21-T24 PolarHBondContact O-N 2.79Å; V21-T24 VanDerWaalsContact O-N 3.15Å; V21-T24 PolarHBondContact O-OG1 3.26Å; V21-M25 HydrophobicContact CG1-CE 3.46Å; V21-M25 VanDerWaalsContact CG1-CE 3.46Å; V21-M25 HydrophobicContact CG1-SD 4.06Å; V21-M25 WeakPolarHBondContact O-CG 2.98Å; V21-M25 PolarHBondContact O-N 2.7Å; V21-L192 HydrophobicContact CG2-CD2 4.41Å
22G96.9Very high95.1Very high3 Ų376 Ų763%0.03138%0.382CS..Hα-helixtrans-58.4-45178.900000112.7K18 T24 M25 V26K18-G22 PolarHBondContact O-N 3.07Å; G22-T24 VanDerWaalsContact C-N 3.28Å; G22-T24 PolarHBondContact O-N 2.67Å; G22-M25 PolarHBondContact O-N 3.24Å; G22-V26 PolarHBondContact O-N 2.85Å
23A97.4Very high94.4Very high52 Ų5279.9 Ų79.943%0.4340%0.396SS..Hα-helixtrans-60.2-38.3177.600000112.3K19 L20 V21 M25 V26 D27K19-A23 VanDerWaalsContact O-CB 3.27Å; K19-A23 WeakPolarHBondContact O-CB 3.3Å; K19-A23 PolarHBondContact O-N 2.88Å; L20-A23 PolarHBondContact O-N 3.23Å; V21-A23 PolarHBondContact O-N 2.94Å; A23-M25 VanDerWaalsContact C-N 3.33Å; A23-V26 PolarHBondContact O-N 3.27Å; A23-D27 PolarHBondContact O-N 3.1Å
24T96.7Very high93.8Very high54 Ų5476 Ų7633%0.33138%0.383SS..Hα-helixtrans-75.1-18.4175.858.90000114L20 V21 G22 P28 L79L20-T24 WeakPolarHBondContact O-CG2 3.06Å; L20-T24 PolarHBondContact O-N 3.47Å; L20-T24 VanDerWaalsContact O-N 3.17Å; L20-T24 PolarHBondContact O-OG1 3.4Å; V21-T24 PolarHBondContact O-N 2.79Å; V21-T24 VanDerWaalsContact O-N 3.15Å; V21-T24 PolarHBondContact O-OG1 3.26Å; G22-T24 VanDerWaalsContact C-N 3.28Å; G22-T24 PolarHBondContact O-N 2.67Å; T24-P28 WeakPolarHBondContact O-CA 3.48Å; T24-P28 WeakPolarHBondContact O-CB 3.41Å; T24-L79 VanDerWaalsContact O-CD2 3.28Å; T24-L79 WeakPolarHBondContact O-CD2 3.48Å
25M96.7Very high93.2Very high12 Ų1270 Ų706%0.05935%0.346CS..Hα-helixtrans-80.3-34.5172.5-70.2172.5174.500111.2V21 G22 A23 A78 L79 L198 A201V21-M25 HydrophobicContact CG1-CE 3.46Å; V21-M25 VanDerWaalsContact CG1-CE 3.46Å; V21-M25 HydrophobicContact CG1-SD 4.06Å; V21-M25 WeakPolarHBondContact O-CG 2.98Å; V21-M25 PolarHBondContact O-N 2.7Å; G22-M25 PolarHBondContact O-N 3.24Å; A23-M25 VanDerWaalsContact C-N 3.33Å; M25-A78 WeakPolarHBondContact O-CB 3.26Å; M25-L79 HydrophobicContact CE-CD1 4.14Å; M25-L79 HydrophobicContact CG-CD1 3.85Å; M25-L79 HydrophobicContact CG-CG 4.14Å; M25-L198 HydrophobicContact SD-CD1 3.91Å; M25-A201 HydrophobicContact CB-CB 3.86Å
26V97.1Very high92.5Very high26 Ų2666.2 Ų66.216%0.15833%0.327CS..Hα-helixtrans-72.4-48.8175.4171.80000111.5G22 A23 P28 L197 E200 N204G22-V26 PolarHBondContact O-N 2.85Å; A23-V26 PolarHBondContact O-N 3.27Å; V26-P28 WeakPolarHBondContact O-CD 3.38Å; V26-L197 HydrophobicContact CG2-CB 4.27Å; V26-L197 HydrophobicContact CG2-CD2 4.04Å; V26-L197 VanDerWaalsContact CG2-O 3.31Å; V26-L197 WeakPolarHBondContact CG2-O 3.3Å; V26-E200 HydrophobicContact CG1-CG 3.98Å; V26-E200 WeakPolarHBondContact CG1-OE1 3.43Å; V26-E200 HydrophobicContact CG2-CB 3.92Å; V26-E200 HydrophobicContact CG2-CG 3.89Å; V26-N204 PolarHBondContact O-ND2 2.93Å
27D95.8Very high91.9Very high131 Ų13169.9 Ų69.970%0.70134%0.335SS*.SBendtrans-122.883178.5-175.926.9000109.8A23A23-D27 PolarHBondContact O-N 3.1Å
28P95.3Very high91.4Very high16 Ų1670.9 Ų70.910%0.10434%0.339CS..PPolyproline II helixtrans-71.8145.8-173.427.9-34.3000112.9T24 V26 A78 L79T24-P28 WeakPolarHBondContact O-CA 3.48Å; T24-P28 WeakPolarHBondContact O-CB 3.41Å; V26-P28 WeakPolarHBondContact O-CD 3.38Å; P28-A78 HydrophobicContact CB-CB 4.22Å; P28-A78 HydrophobicContact CG-CB 4.2Å; P28-L79 HydrophobicContact CB-CD2 4.37Å
29P92.3Very high90.7Very high79 Ų7968.9 Ų68.951%0.51333%0.331SS..PPolyproline II helixtrans-65.4153.5171.630.6-35.2000110.3R31P29-R31 PolarHBondContact O-N 2.83Å
30K89.1Confident89.9Confident188 Ų18865.5 Ų65.582%0.81732%0.324SS*.PPolyproline II helixtrans-49.8131.2173.2-68.9-172.3178.2-1760111.5
31R86.7Confident89.2Confident69 Ų6968.3 Ų68.326%0.2633%0.334SS..PPolyproline II helixtrans-52.1139.1175.8-72.4-162.5-175.5-14517.5112.8P29 E80 D104 Y105 L107P29-R31 PolarHBondContact O-N 2.83Å; R31-E80 WeakPolarHBondContact CB-OE1 3.12Å; R31-E80 HydrophobicContact CG-CG 4.35Å; R31-D104 IonicContact NH1-OD1 2.93Å; R31-D104 PolarHBondContact NH1-OD1 3.01Å; R31-Y105 PolarHBondContact NH1-O 3.35Å; R31-Y105 PolarHBondContact NH2-O 3.42Å; R31-L107 VanDerWaalsContact CZ-CD1 3.46Å
32R86.6Confident88.8Confident158 Ų15868 Ų6860%0.59633%0.333SS*.  trans-123.3-1.4179-63.2178.7-175.3-177.30.4112.7L34 R37 E80R32-L34 HydrophobicContact CB-CD2 3.61Å; R32-L34 HydrophobicContact CB-CG 3.82Å; R32-L34 PolarHBondContact O-N 3.35Å; R32-R37 VanDerWaalsContact O-CZ 3.22Å; R32-R37 PolarHBondContact O-NE 2.78Å; R32-E80 VanDerWaalsContact N-CD 3.35Å; R32-E80 PolarHBondContact N-OE1 2.8Å; R32-E80 VanDerWaalsContact N-OE1 3.09Å; R32-E80 PolarHBondContact N-OE2 2.82Å
33R83.1Confident88.5Confident105 Ų10574 Ų7440%0.39636%0.364SS..  trans51.743.1-174.4-60.2-179.4179.1-171.6-7.6111.2I35 S36 R37 G53 E80R33-I35 PolarHBondContact O-N 2.91Å; R33-S36 PolarHBondContact O-N 3.46Å; R33-R37 VanDerWaalsContact O-CG 3.31Å; R33-R37 WeakPolarHBondContact O-CG 3.09Å; R33-R37 PolarHBondContact O-N 3Å; R33-G53 PolarHBondContact NH2-O 2.88Å; R33-E80 WeakPolarHBondContact CA-OE1 3.07Å; R33-E80 PolarHBondContact N-OE1 2.95Å; R33-E80 PolarHBondContact N-OE2 2.81Å
34L82.8Confident88.5Confident76 Ų7671.9 Ų71.940%0.39835%0.345SS..Hα-helixtrans-58.7-52.3-169.1-66.1179.8000111.9R32 R37 Q38R32-L34 HydrophobicContact CB-CD2 3.61Å; R32-L34 HydrophobicContact CB-CG 3.82Å; R32-L34 PolarHBondContact O-N 3.35Å; L34-R37 WeakPolarHBondContact O-CB 3.41Å; L34-R37 PolarHBondContact O-N 3.24Å; L34-Q38 VanDerWaalsContact O-CG 3.31Å; L34-Q38 WeakPolarHBondContact O-CG 3.44Å; L34-Q38 PolarHBondContact O-N 2.74Å
35I85.1Confident88.5Confident1 Ų173.3 Ų73.31%0.00536%0.356CS..Hα-helixtrans-67.6-40.3-177.7-84.2-73.9000112.1R33 R37 Q38 L39 A81 S82 K86 Y102R33-I35 PolarHBondContact O-N 2.91Å; I35-R37 VanDerWaalsContact C-N 3.27Å; I35-R37 PolarHBondContact O-N 2.84Å; I35-Q38 CarbonylContact O-C 3.47Å; I35-Q38 PolarHBondContact O-N 3.37Å; I35-L39 HydrophobicContact CG2-CD1 3.74Å; I35-L39 HydrophobicContact CG2-CG 4.08Å; I35-L39 WeakPolarHBondContact O-CB 3.34Å; I35-L39 WeakPolarHBondContact O-CG 3.19Å; I35-L39 PolarHBondContact O-N 3.47Å; I35-A81 HydrophobicContact CB-CB 3.81Å; I35-A81 HydrophobicContact CG1-CB 3.57Å; I35-A81 WeakPolarHBondContact CG1-O 3.39Å; I35-A81 HydrophobicContact CG2-CB 3.97Å; I35-S82 VanDerWaalsContact CD1-C 3.49Å; I35-S82 WeakPolarHBondContact CD1-O 3.49Å; I35-S82 WeakPolarHBondContact CG1-O 3.48Å; I35-K86 HydrophobicContact CD1-CB 3.49Å; I35-K86 VanDerWaalsContact CD1-CB 3.49Å; I35-Y102 HydrophobicContact CG2-CD1 4.39Å; I35-Y102 HydrophobicContact CG2-CD2 4.42Å; I35-Y102 HydrophobicContact CG2-CE1 3.93Å; I35-Y102 HydrophobicContact CG2-CE2 3.92Å
36S81.7Confident88.5Confident3 Ų375.2 Ų75.22%0.02136%0.364CS..Hα-helixtrans-57.1-42.9174.4-54.20000111.8R33 S40 Q55R33-S36 PolarHBondContact O-N 3.46Å; S36-S40 WeakPolarHBondContact O-CB 3.41Å; S36-S40 PolarHBondContact O-N 3.48Å; S36-Q55 VanDerWaalsContact CB-OE1 3.31Å
37R83.7Confident88.5Confident154 Ų15480.4 Ų80.458%0.58139%0.385SS*.Hα-helixtrans-64.6-40.4173.4-70.6174-178.3-175.73.7112.2R32 R33 L34 I35 S40 Q41R32-R37 VanDerWaalsContact O-CZ 3.22Å; R32-R37 PolarHBondContact O-NE 2.78Å; R33-R37 VanDerWaalsContact O-CG 3.31Å; R33-R37 WeakPolarHBondContact O-CG 3.09Å; R33-R37 PolarHBondContact O-N 3Å; L34-R37 WeakPolarHBondContact O-CB 3.41Å; L34-R37 PolarHBondContact O-N 3.24Å; I35-R37 VanDerWaalsContact C-N 3.27Å; I35-R37 PolarHBondContact O-N 2.84Å; R37-S40 WeakPolarHBondContact CA-OG 3.41Å; R37-S40 PolarHBondContact O-N 2.59Å; R37-S40 PolarHBondContact O-OG 2.84Å; R37-Q41 WeakPolarHBondContact O-CG 3.5Å; R37-Q41 PolarHBondContact O-N 2.9Å
38Q85.9Confident88.4Confident60 Ų6078.4 Ų78.428%0.2837%0.373SS..Hα-helixtrans-70.6-38.5179.5-71.7178.6-22.100112.7L34 I35 S40 Q41 T42 K86L34-Q38 VanDerWaalsContact O-CG 3.31Å; L34-Q38 WeakPolarHBondContact O-CG 3.44Å; L34-Q38 PolarHBondContact O-N 2.74Å; I35-Q38 CarbonylContact O-C 3.47Å; I35-Q38 PolarHBondContact O-N 3.37Å; Q38-S40 VanDerWaalsContact C-N 3.34Å; Q38-Q41 PolarHBondContact O-N 3.38Å; Q38-Q41 VanDerWaalsContact O-N 3.17Å; Q38-T42 PolarHBondContact O-N 2.71Å; Q38-K86 HydrophobicContact CB-CD 3.71Å; Q38-K86 VanDerWaalsContact O-CE 3.3Å; Q38-K86 WeakPolarHBondContact O-CE 3.47Å
39L82.8Confident88.4Confident0 Ų079.1 Ų79.10%038%0.38CS..Hα-helixtrans-66.7-38.2172.8-70.8177.8000110.3I35 Q41 T42 Q46 I57 L59 K86 Y102I35-L39 HydrophobicContact CG2-CD1 3.74Å; I35-L39 HydrophobicContact CG2-CG 4.08Å; I35-L39 WeakPolarHBondContact O-CB 3.34Å; I35-L39 WeakPolarHBondContact O-CG 3.19Å; I35-L39 PolarHBondContact O-N 3.47Å; L39-Q41 PolarHBondContact O-N 2.8Å; L39-T42 WeakPolarHBondContact O-CG2 3.35Å; L39-T42 PolarHBondContact O-N 2.73Å; L39-T42 VanDerWaalsContact O-N 3.12Å; L39-Q46 PolarHBondContact O-NE2 3.16Å; L39-Q46 PolarHBondContact O-OE1 3.32Å; L39-I57 HydrophobicContact CB-CD1 4.25Å; L39-I57 HydrophobicContact CB-CG2 4.44Å; L39-I57 HydrophobicContact CD1-CD1 4.35Å; L39-L59 HydrophobicContact CD2-CD1 3.92Å; L39-L59 HydrophobicContact CD2-CD2 4.4Å; L39-K86 HydrophobicContact CD2-CB 4.21Å; L39-K86 HydrophobicContact CD2-CD 4.07Å; L39-K86 HydrophobicContact CD2-CG 3.8Å; L39-Y102 HydrophobicContact CD1-CD1 4.12Å; L39-Y102 HydrophobicContact CD1-CG 4.14Å
40S79.2Confident88.5Confident63 Ų6381.2 Ų81.244%0.44138%0.383SS..THydrogen-bonded Turntrans-61.4-15172.673.80000114.5S36 R37 Q38S36-S40 WeakPolarHBondContact O-CB 3.41Å; S36-S40 PolarHBondContact O-N 3.48Å; R37-S40 WeakPolarHBondContact CA-OG 3.41Å; R37-S40 PolarHBondContact O-N 2.59Å; R37-S40 PolarHBondContact O-OG 2.84Å; Q38-S40 VanDerWaalsContact C-N 3.34Å
41Q82.2Confident88.8Confident158 Ų15872.7 Ų72.774%0.73835%0.346SS*.THydrogen-bonded Turntrans-103.42.9-179.4-70.3176.9-12.900113.8R37 Q38 L39R37-Q41 WeakPolarHBondContact O-CG 3.5Å; R37-Q41 PolarHBondContact O-N 2.9Å; Q38-Q41 PolarHBondContact O-N 3.38Å; Q38-Q41 VanDerWaalsContact O-N 3.17Å; L39-Q41 PolarHBondContact O-N 2.8Å
42T87.2Confident89.2Confident20 Ų2074 Ų7412%0.12336%0.359CS..SBendtrans-79.1155.3176.6-172.70000112.6Q38 L39 I44 L59 E90Q38-T42 PolarHBondContact O-N 2.71Å; L39-T42 WeakPolarHBondContact O-CG2 3.35Å; L39-T42 PolarHBondContact O-N 2.73Å; L39-T42 VanDerWaalsContact O-N 3.12Å; T42-I44 HydrophobicContact CG2-CB 3.95Å; T42-I44 HydrophobicContact CG2-CG1 4.45Å; T42-I44 PolarHBondContact O-N 2.94Å; T42-I44 PolarHBondContact OG1-N 3.44Å; T42-L59 HydrophobicContact CG2-CD2 4.27Å; T42-E90 WeakPolarHBondContact CB-OE1 3.4Å; T42-E90 PolarHBondContact OG1-OE1 3.16Å
43D91.5Very high89.5Confident128 Ų12867.8 Ų67.868%0.68434%0.343SS*.SBendtrans-76-10.3174.263.9-25.7000112.9K94D43-K94 IonicContact OD1-NZ 3.05Å; D43-K94 PolarHBondContact OD1-NZ 2.92Å; D43-K94 IonicContact OD2-NZ 2.65Å; D43-K94 PolarHBondContact OD2-NZ 2.86Å
44I96.8Very high90.1Very high9 Ų963.7 Ų63.75%0.04633%0.329CS..SBendtrans-70.7128.7177.6-59.5177.3000109.8T42 Q46 L59 F60 E90 V93 K94T42-I44 HydrophobicContact CG2-CB 3.95Å; T42-I44 HydrophobicContact CG2-CG1 4.45Å; T42-I44 PolarHBondContact O-N 2.94Å; T42-I44 PolarHBondContact OG1-N 3.44Å; I44-Q46 PolarHBondContact O-N 2.87Å; I44-L59 HydrophobicContact CG2-CB 3.98Å; I44-F60 VanDerWaalsContact CG2-O 3.29Å; I44-F60 WeakPolarHBondContact CG2-O 3.28Å; I44-E90 HydrophobicContact CD1-CB 3.98Å; I44-E90 HydrophobicContact CD1-CG 3.69Å; I44-V93 HydrophobicContact CD1-CB 4.06Å; I44-V93 HydrophobicContact CD1-CG1 4.02Å; I44-V93 HydrophobicContact CG2-CG1 3.76Å; I44-K94 HydrophobicContact CD1-CD 4.38Å; I44-K94 HydrophobicContact CD1-CG 4.17Å; I44-K94 VanDerWaalsContact CG1-CE 3.47Å
45P97.1Very high90.7Very high84 Ų8462.1 Ų62.155%0.54532%0.319SS..  trans-55.5135173-23.332.7000111.2F60P45-F60 HydrophobicContact CB-CB 4.38Å; P45-F60 WeakPolarHBondContact O-CD2 3.32Å; P45-F60 PolarHBondContact O-N 3.32Å
46Q96.4Very high91.2Very high51 Ų5162.2 Ų62.224%0.23832%0.32CS..EExtended strand (participates in β ladder)trans-142.6157.2-175.769.2-171.6-57.800113.2L39 I44 I57 T58 L59L39-Q46 PolarHBondContact O-NE2 3.16Å; L39-Q46 PolarHBondContact O-OE1 3.32Å; I44-Q46 PolarHBondContact O-N 2.87Å; Q46-I57 HydrophobicContact CB-CG2 4.49Å; Q46-T58 CarbonylContact C-O 3.57Å; Q46-T58 WeakPolarHBondContact CA-O 3.22Å; Q46-T58 WeakPolarHBondContact CB-O 3.34Å; Q46-L59 HydrophobicContact CB-CD2 3.85Å
47K96.3Very high92Very high135 Ų13562 Ų6259%0.58732%0.319SS*.EExtended strand (participates in β ladder)trans-124.2136166.9-72.9-174.7-179.6-176.10109.3I57 T58 F60K47-I57 WeakPolarHBondContact O-CA 3.43Å; K47-T58 PolarHBondContact N-O 3.15Å; K47-T58 PolarHBondContact O-N 3.25Å; K47-F60 HydrophobicContact CB-CE2 3.92Å; K47-F60 HydrophobicContact CB-CZ 4.4Å; K47-F60 HydrophobicContact CD-CE2 4.13Å; K47-F60 HydrophobicContact CD-CZ 4.03Å; K47-F60 HydrophobicContact CG-CE2 3.74Å; K47-F60 HydrophobicContact CG-CZ 4.16Å
48I94.6Very high92.7Very high89 Ų8955 Ų5546%0.45629%0.293SS..EExtended strand (participates in β ladder)trans-111.8129177.1-54.9176.7000107.5Q55 I57I48-Q55 HydrophobicContact CG2-CG 4.4Å; I48-I57 HydrophobicContact CG1-CG1 4.25Å; I48-I57 HydrophobicContact CG1-CG2 4.35Å; I48-I57 HydrophobicContact CG2-CG1 4.39Å
49A95.3Very high93.3Very high31 Ų3152.1 Ų52.126%0.25628%0.279SS..EExtended strand (participates in β ladder)trans-120.8169.8165.900000109.4L56 Q126A49-L56 HydrophobicContact CB-CB 4.41Å; A49-L56 PolarHBondContact N-O 3.09Å; A49-L56 PolarHBondContact O-N 3Å; A49-Q126 VanDerWaalsContact CB-NE2 3.29Å
50E95Very high94Very high124 Ų12454.2 Ų54.258%0.57929%0.288SS*.EExtended strand (participates in β ladder)trans-128.6141.5177.8-170.3176.1107.900110.1G53 H54E50-G53 WeakPolarHBondContact OE1-CA 3.5Å; E50-H54 CarbonylContact C-O 3.56Å; E50-H54 WeakPolarHBondContact CA-O 3.48Å
51I95.9Very high94.9Very high8 Ų852 Ų524%0.04127%0.273CS..EExtended strand (participates in β ladder)trans-136.3112.7177.7-59177.7000106.9G53 H54 L56 F103 L119 L122 A123 Q126I51-G53 PolarHBondContact O-N 2.88Å; I51-H54 PolarHBondContact N-O 3.07Å; I51-H54 WeakPolarHBondContact O-CA 3.46Å; I51-H54 VanDerWaalsContact O-CB 3.29Å; I51-H54 WeakPolarHBondContact O-CB 3.15Å; I51-H54 PolarHBondContact O-N 3.43Å; I51-L56 HydrophobicContact CD1-CB 4.45Å; I51-L56 HydrophobicContact CD1-CD2 3.93Å; I51-F103 HydrophobicContact CB-CE2 4.1Å; I51-F103 HydrophobicContact CB-CZ 4.45Å; I51-F103 HydrophobicContact CD1-CE2 4.47Å; I51-L119 HydrophobicContact CG2-CD2 4.25Å; I51-L122 HydrophobicContact CG2-CB 4.33Å; I51-L122 HydrophobicContact CG2-CD2 3.58Å; I51-L122 HydrophobicContact CG2-CG 3.88Å; I51-A123 HydrophobicContact CD1-CB 3.63Å; I51-Q126 HydrophobicContact CD1-CB 4.29Å
52D95.1Very high95.5Very high98 Ų9848.1 Ų48.152%0.52428%0.275SS..THydrogen-bonded Turntrans5139.1-177.1-161.954.9000113.8H54 K115 L119D52-H54 VanDerWaalsContact C-N 3.26Å; D52-H54 PolarHBondContact O-CD2 3.31Å; D52-H54 PolarHBondContact O-N 2.92Å; D52-K115 WeakPolarHBondContact OD2-CE 3.37Å; D52-K115 IonicContact OD2-NZ 3.9Å; D52-K115 PolarHBondContact OD2-NZ 3Å; D52-L119 HydrophobicContact CB-CD1 3.8Å; D52-L119 HydrophobicContact CB-CD2 3.81Å
53G92.8Very high95.9Very high26 Ų2653.8 Ų53.827%0.26830%0.3SS..THydrogen-bonded Turntrans79.9-1.3-177.300000115.5R33 E50 I51R33-G53 PolarHBondContact NH2-O 2.88Å; E50-G53 WeakPolarHBondContact OE1-CA 3.5Å; I51-G53 PolarHBondContact O-N 2.88Å
54H94.7Very high96.1Very high20 Ų2054 Ų549%0.09331%0.309CS..EExtended strand (participates in β ladder)trans-98.8136176.8-65.2-87.4000111.4E50 I51 D52 F103 D104E50-H54 CarbonylContact C-O 3.56Å; E50-H54 WeakPolarHBondContact CA-O 3.48Å; I51-H54 PolarHBondContact N-O 3.07Å; I51-H54 WeakPolarHBondContact O-CA 3.46Å; I51-H54 VanDerWaalsContact O-CB 3.29Å; I51-H54 WeakPolarHBondContact O-CB 3.15Å; I51-H54 PolarHBondContact O-N 3.43Å; D52-H54 VanDerWaalsContact C-N 3.26Å; D52-H54 PolarHBondContact O-CD2 3.31Å; D52-H54 PolarHBondContact O-N 2.92Å; H54-F103 HydrophobicContact CB-CD2 4.48Å; H54-F103 HydrophobicContact CB-CE2 3.56Å; H54-F103 HydrophobicContact CB-CZ 3.85Å; H54-D104 WeakPolarHBondContact CB-O 3.42Å; H54-D104 PolarHBondContact ND1-O 3.09Å
55Q95Very high96.2Very high43 Ų4354.7 Ų54.720%0.20131%0.313CS..EExtended strand (participates in β ladder)trans-82.6134.3-176-68.4-168.4-6.400112.2S36 I48 I57 F103 D104S36-Q55 VanDerWaalsContact CB-OE1 3.31Å; I48-Q55 HydrophobicContact CG2-CG 4.4Å; Q55-I57 HydrophobicContact CB-CG1 4.23Å; Q55-F103 WeakPolarHBondContact O-CA 3.23Å; Q55-F103 WeakPolarHBondContact O-CD2 3.42Å; Q55-D104 HydrophobicContact CB-CB 4.45Å; Q55-D104 PolarHBondContact O-N 2.84Å
56L96.9Very high96.3Very high2 Ų257.9 Ų57.91%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-110.9105.7167.9176.361.3000108.4A49 I51 F70 Y102 F103 A123 L127A49-L56 HydrophobicContact CB-CB 4.41Å; A49-L56 PolarHBondContact N-O 3.09Å; A49-L56 PolarHBondContact O-N 3Å; I51-L56 HydrophobicContact CD1-CB 4.45Å; I51-L56 HydrophobicContact CD1-CD2 3.93Å; L56-F70 HydrophobicContact CD1-CE2 4.22Å; L56-Y102 WeakPolarHBondContact CA-O 3.33Å; L56-F103 HydrophobicContact CB-CD2 4.2Å; L56-F103 HydrophobicContact CD1-CB 4.09Å; L56-A123 HydrophobicContact CD2-CB 4.48Å; L56-L127 HydrophobicContact CD1-CD1 4.23Å; L56-L127 HydrophobicContact CD1-CD2 4.14Å; L56-L127 HydrophobicContact CD1-CG 4.3Å; L56-L127 HydrophobicContact CD2-CD2 3.79Å; L56-L127 HydrophobicContact CD2-CG 3.99Å; L56-L127 HydrophobicContact CG-CD2 4.19Å
57I97Very high96.4Very high0 Ų060.1 Ų60.10%032%0.32CS..EExtended strand (participates in β ladder)trans-106.3121.3-175.4-53.5177.8000108.5L39 Q46 K47 I48 Q55 L59 S101 Y102L39-I57 HydrophobicContact CB-CD1 4.25Å; L39-I57 HydrophobicContact CB-CG2 4.44Å; L39-I57 HydrophobicContact CD1-CD1 4.35Å; Q46-I57 HydrophobicContact CB-CG2 4.49Å; K47-I57 WeakPolarHBondContact O-CA 3.43Å; I48-I57 HydrophobicContact CG1-CG1 4.25Å; I48-I57 HydrophobicContact CG1-CG2 4.35Å; I48-I57 HydrophobicContact CG2-CG1 4.39Å; Q55-I57 HydrophobicContact CB-CG1 4.23Å; I57-L59 HydrophobicContact CG2-CD2 4.16Å; I57-S101 CarbonylContact O-C 3.6Å; I57-S101 VanDerWaalsContact O-CA 3.25Å; I57-S101 WeakPolarHBondContact O-CA 3.48Å; I57-Y102 HydrophobicContact CD1-CD1 4.42Å; I57-Y102 PolarHBondContact N-O 3.44Å; I57-Y102 PolarHBondContact O-N 2.79Å
58T98.2Very high96.5Very high5 Ų553.7 Ų53.73%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-108.8119.2176-50.90000109.8Q46 K47 F60 K99 V100 S101 Y131Q46-T58 CarbonylContact C-O 3.57Å; Q46-T58 WeakPolarHBondContact CA-O 3.22Å; Q46-T58 WeakPolarHBondContact CB-O 3.34Å; K47-T58 PolarHBondContact N-O 3.15Å; K47-T58 PolarHBondContact O-N 3.25Å; T58-F60 HydrophobicContact CG2-CE1 4.12Å; T58-F60 HydrophobicContact CG2-CE2 3.91Å; T58-F60 HydrophobicContact CG2-CZ 3.7Å; T58-F60 WeakPolarHBondContact O-CD2 3.32Å; T58-F60 WeakPolarHBondContact O-CE2 3.34Å; T58-K99 HydrophobicContact CG2-CD 3.88Å; T58-K99 HydrophobicContact CG2-CG 3.65Å; T58-V100 CarbonylContact C-O 3.56Å; T58-V100 WeakPolarHBondContact CA-O 3.31Å; T58-S101 WeakPolarHBondContact CB-OG 3.5Å; T58-S101 WeakPolarHBondContact CG2-OG 3.37Å; T58-S101 PolarHBondContact OG1-OG 2.9Å; T58-Y131 HydrophobicContact CG2-CE2 4.31Å
59L98.3Very high96.7Very high0 Ų049.5 Ų49.50%027%0.271CS..EExtended strand (participates in β ladder)trans-92.6134.4174.5-54.5-179.5000110.1L39 T42 I44 Q46 I57 Q89 V93 K99 V100L39-L59 HydrophobicContact CD2-CD1 3.92Å; L39-L59 HydrophobicContact CD2-CD2 4.4Å; T42-L59 HydrophobicContact CG2-CD2 4.27Å; I44-L59 HydrophobicContact CG2-CB 3.98Å; Q46-L59 HydrophobicContact CB-CD2 3.85Å; I57-L59 HydrophobicContact CG2-CD2 4.16Å; L59-Q89 HydrophobicContact CD1-CB 4.16Å; L59-V93 HydrophobicContact CB-CG2 3.72Å; L59-V93 HydrophobicContact CD1-CG2 4.18Å; L59-K99 WeakPolarHBondContact O-CA 3.23Å; L59-V100 PolarHBondContact N-O 3.05Å; L59-V100 PolarHBondContact O-N 3.47Å; L59-V100 VanDerWaalsContact O-N 3.1Å
60F98.5Very high96.9Very high44 Ų4448 Ų4819%0.19326%0.259CS..  trans-112.9131.5-177.9-61.5-92.1000111.3I44 P45 K47 T58 K99 Y131I44-F60 VanDerWaalsContact CG2-O 3.29Å; I44-F60 WeakPolarHBondContact CG2-O 3.28Å; P45-F60 HydrophobicContact CB-CB 4.38Å; P45-F60 WeakPolarHBondContact O-CD2 3.32Å; P45-F60 PolarHBondContact O-N 3.32Å; K47-F60 HydrophobicContact CB-CE2 3.92Å; K47-F60 HydrophobicContact CB-CZ 4.4Å; K47-F60 HydrophobicContact CD-CE2 4.13Å; K47-F60 HydrophobicContact CD-CZ 4.03Å; K47-F60 HydrophobicContact CG-CE2 3.74Å; K47-F60 HydrophobicContact CG-CZ 4.16Å; T58-F60 HydrophobicContact CG2-CE1 4.12Å; T58-F60 HydrophobicContact CG2-CE2 3.91Å; T58-F60 HydrophobicContact CG2-CZ 3.7Å; T58-F60 WeakPolarHBondContact O-CD2 3.32Å; T58-F60 WeakPolarHBondContact O-CE2 3.34Å; F60-K99 HydrophobicContact CD1-CD 4.23Å; F60-K99 HydrophobicContact CD1-CG 4.2Å; F60-K99 HydrophobicContact CE1-CD 3.96Å; F60-K99 HydrophobicContact CE1-CG 4.32Å; F60-Y131 AromaticContact CE1-CE1 4Å; F60-Y131 HydrophobicContact CE1-CE1 4Å; F60-Y131 HydrophobicContact CZ-CE1 4.14Å; F60-Y131 AromaticContact CZ-CZ 3.99Å; F60-Y131 VanDerWaalsContact CZ-OH 3.32Å; F60-Y131 WeakPolarHBondContact CZ-OH 3.49Å
61P98Very high97Very high17 Ų1742.1 Ų42.111%0.1123%0.231CC..  trans-75.3168.3175.834.1-36.4000111.7H63 T65 V93 N97P61-H63 PolarHBondContact O-N 3.35Å; P61-T65 HydrophobicContact CG-CG2 3.63Å; P61-V93 VanDerWaalsContact CA-CG1 3.47Å; P61-V93 HydrophobicContact CB-CG1 3.76Å; P61-V93 WeakPolarHBondContact CB-O 3.33Å; P61-N97 VanDerWaalsContact CB-OD1 3.27Å; P61-N97 WeakPolarHBondContact CB-OD1 3.48Å
62G94.3Very high97.2Very high77 Ų7741.7 Ų41.779%0.79423%0.229SC*.SBendtrans-66.8-20.9-17800000114.7
63H96.4Very high97.3Very high139 Ų13937 Ų3764%0.64420%0.204SC*.SBendtrans-116141.8175.7-57.8-67000111.3P61 T65 N97P61-H63 PolarHBondContact O-N 3.35Å; H63-T65 PolarHBondContact O-N 2.69Å; H63-N97 WeakPolarHBondContact CB-OD1 3.5Å; H63-N97 PolarHBondContact N-OD1 3.47Å; H63-N97 PolarHBondContact O-ND2 2.8Å; H63-N97 PolarHBondContact O-OD1 2.79Å; H63-N97 VanDerWaalsContact O-OD1 3.12Å
64P96.1Very high97.6Very high133 Ų13335.9 Ų35.986%0.86419%0.192SC*.  trans-52.5134.4176.7-26.734.7000112.3
65T98.2Very high97.7Very high22 Ų2235.5 Ų35.514%0.13519%0.194CC..  trans-143.5150.2178.7-168.50000110P61 H63 R67 N97 K99P61-T65 HydrophobicContact CG-CG2 3.63Å; H63-T65 PolarHBondContact O-N 2.69Å; T65-R67 PolarHBondContact OG1-N 2.82Å; T65-N97 VanDerWaalsContact CB-O 3.24Å; T65-N97 WeakPolarHBondContact CB-O 3.5Å; T65-N97 VanDerWaalsContact CG2-O 3.3Å; T65-N97 WeakPolarHBondContact CG2-O 3.3Å; T65-N97 PolarHBondContact OG1-O 2.75Å; T65-N97 VanDerWaalsContact OG1-O 3.05Å; T65-K99 HydrophobicContact CG2-CB 4.02Å
66R98.3Very high97.8Very high152 Ų15233.5 Ų33.557%0.57418%0.184SC*.  trans-107.57.7170-68.9178.4174.9-168.7-9.1111.8D133 D134 C135R66-D133 IonicContact CZ-OD2 3.63Å; R66-D133 IonicContact NH2-OD2 3.73Å; R66-D133 PolarHBondContact NH2-OD2 3.11Å; R66-D134 WeakPolarHBondContact CA-OD1 3.49Å; R66-D134 CarbonylContact O-C 3.52Å; R66-D134 VanDerWaalsContact O-CA 3.29Å; R66-D134 WeakPolarHBondContact O-CA 3.38Å; R66-C135 PolarHBondContact O-N 2.85Å
67R98.8Very high97.9Very high98 Ų9833.5 Ų33.537%0.3718%0.184SC..EExtended strand (participates in β ladder)trans-92.9117.8177.9-71.6-178.1178.395.3-3.7109.4T65 L98 K99 F137 Y289 Q290T65-R67 PolarHBondContact OG1-N 2.82Å; R67-L98 HydrophobicContact CB-CD2 3.6Å; R67-L98 HydrophobicContact CG-CD2 4.5Å; R67-K99 PolarHBondContact O-N 3.48Å; R67-F137 HydrophobicContact CB-CE2 3.83Å; R67-F137 HydrophobicContact CG-CE2 4.03Å; R67-F137 HydrophobicContact CG-CZ 4.36Å; R67-Y289 VanDerWaalsContact CD-O 3.3Å; R67-Y289 WeakPolarHBondContact CD-O 3.27Å; R67-Y289 PolarHBondContact NE-O 2.89Å; R67-Q290 VanDerWaalsContact CZ-O 3.25Å; R67-Q290 PolarHBondContact NE-O 3.02Å; R67-Q290 PolarHBondContact NH2-O 2.86Å
68H98.8Very high98Very high0 Ų033.9 Ų33.90%019%0.187CC..EExtended strand (participates in β ladder)trans-130.1109.9-167.6-164.8156.6000111.8K99 S101 Y131 D134 C135 F136 F137H68-K99 CarbonylContact C-O 3.49Å; H68-K99 WeakPolarHBondContact CA-O 3.2Å; H68-K99 HydrophobicContact CB-CB 4.45Å; H68-K99 VanDerWaalsContact CE1-CD 3.48Å; H68-K99 WeakPolarHBondContact CE1-CD 3.34Å; H68-K99 WeakPolarHBondContact ND1-CD 3.48Å; H68-S101 WeakPolarHBondContact NE2-CB 3.13Å; H68-S101 PolarHBondContact NE2-OG 3.21Å; H68-Y131 AromaticContact CE1-CD2 3.5Å; H68-Y131 VanDerWaalsContact CE1-CD2 3.5Å; H68-Y131 WeakPolarHBondContact CE1-CD2 3.44Å; H68-Y131 AromaticContact CE1-CE2 3.73Å; H68-Y131 AromaticContact ND1-CD2 3.79Å; H68-D134 HydrophobicContact CB-CB 4.03Å; H68-D134 WeakPolarHBondContact CB-OD2 3.23Å; H68-D134 IonicContact CE1-OD2 3.4Å; H68-D134 IonicContact CG-OD2 2.67Å; H68-D134 IonicContact ND1-OD2 3.72Å; H68-D134 PolarHBondContact ND1-OD2 2.92Å; H68-C135 PolarHBondContact N-O 3.31Å; H68-F136 HydrophobicContact CB-CD1 3.86Å; H68-F136 HydrophobicContact CB-CE1 3.99Å; H68-F136 AromaticContact CE1-CE1 3.78Å; H68-F136 AromaticContact CG-CD1 3.78Å; H68-F136 AromaticContact CG-CE1 3.57Å; H68-F136 AromaticContact ND1-CD1 3.93Å; H68-F136 AromaticContact ND1-CE1 3.22Å; H68-F136 WeakPolarHBondContact ND1-CE1 2.99Å; H68-F136 AromaticContact ND1-CZ 3.92Å; H68-F136 CarbonylContact O-C 3.5Å; H68-F136 WeakPolarHBondContact O-CA 3.46Å; H68-F137 PolarHBondContact O-N 3.02Å
69V98.9Very high97.9Very high0 Ų035.4 Ų35.40%020%0.195CC..EExtended strand (participates in β ladder)trans-89.1122.9174.3-177.20000109.8L98 K99 V100 S101 F137 F139 Y289V69-L98 HydrophobicContact CG2-CB 4.44Å; V69-L98 HydrophobicContact CG2-CD1 3.97Å; V69-K99 PolarHBondContact N-O 2.86Å; V69-V100 HydrophobicContact CB-CG2 4.39Å; V69-V100 CarbonylContact O-C 3.56Å; V69-V100 WeakPolarHBondContact O-CA 3.24Å; V69-S101 PolarHBondContact O-N 3.02Å; V69-F137 HydrophobicContact CG2-CB 4.36Å; V69-F137 HydrophobicContact CG2-CD2 4.19Å; V69-F139 HydrophobicContact CG1-CB 3.75Å; V69-Y289 HydrophobicContact CG1-CE2 4.22Å; V69-Y289 HydrophobicContact CG2-CD2 3.63Å; V69-Y289 HydrophobicContact CG2-CE2 3.72Å; V69-Y289 HydrophobicContact CG2-CG 4.05Å
70F98.9Very high97.7Very high0 Ų037 Ų370%020%0.203CC..EExtended strand (participates in β ladder)trans-93.1113.4165.4-176.7-145.3000108.7L56 L72 S101 F103 T120 A123 F124 L127 F137 L138 F139 L151L56-F70 HydrophobicContact CD1-CE2 4.22Å; F70-L72 HydrophobicContact CE1-CD2 4.09Å; F70-L72 HydrophobicContact CE2-CD2 4.22Å; F70-L72 HydrophobicContact CZ-CD2 3.88Å; F70-S101 WeakPolarHBondContact CD2-O 3.38Å; F70-F103 HydrophobicContact CE2-CB 3.51Å; F70-F103 HydrophobicContact CZ-CB 3.75Å; F70-F103 HydrophobicContact CZ-CD1 4.37Å; F70-F103 HydrophobicContact CZ-CG 4.38Å; F70-T120 HydrophobicContact CE1-CG2 3.84Å; F70-T120 HydrophobicContact CZ-CG2 4.02Å; F70-A123 HydrophobicContact CZ-CB 3.88Å; F70-F124 HydrophobicContact CD1-CB 4.2Å; F70-F124 AromaticContact CD1-CD2 3.87Å; F70-F124 HydrophobicContact CD1-CD2 3.87Å; F70-F124 HydrophobicContact CE1-CB 3.98Å; F70-F124 HydrophobicContact CE1-CD2 4.5Å; F70-L127 HydrophobicContact CB-CD1 4.34Å; F70-L127 HydrophobicContact CD2-CD1 3.74Å; F70-L127 HydrophobicContact CE2-CD1 4.16Å; F70-L127 HydrophobicContact CG-CD1 4.03Å; F70-F137 PolarHBondContact N-O 2.99Å; F70-L138 HydrophobicContact CB-CD2 3.95Å; F70-L138 HydrophobicContact CD1-CD2 3.79Å; F70-L138 HydrophobicContact CG-CD2 4.28Å; F70-L138 WeakPolarHBondContact O-CA 3.46Å; F70-F139 PolarHBondContact O-N 3.06Å; F70-L151 HydrophobicContact CD1-CD2 4.01Å; F70-L151 HydrophobicContact CE1-CD2 3.87Å
71Y98.8Very high97.6Very high0 Ų035.1 Ų35.10%020%0.195CC..EExtended strand (participates in β ladder)trans-100.7120.5-167.5-168.3-66.1000110.4H73 H85 I88 Q89 F92 V100 S101 Y102 F139Y71-H73 HydrophobicContact CE1-CB 4.12Å; Y71-H85 HydrophobicContact CE1-CB 4.15Å; Y71-H85 PolarHBondContact OH-CD2 3.46Å; Y71-I88 HydrophobicContact CE2-CB 4.32Å; Y71-I88 HydrophobicContact CE2-CG2 3.83Å; Y71-Q89 HydrophobicContact CD1-CG 4.33Å; Y71-Q89 HydrophobicContact CD2-CG 3.53Å; Y71-Q89 HydrophobicContact CE1-CG 4.49Å; Y71-Q89 HydrophobicContact CE2-CG 3.67Å; Y71-Q89 HydrophobicContact CG-CG 3.89Å; Y71-F92 HydrophobicContact CD2-CE2 4.35Å; Y71-F92 HydrophobicContact CE2-CE2 4.26Å; Y71-V100 HydrophobicContact CD2-CG1 4.44Å; Y71-S101 PolarHBondContact N-O 3.36Å; Y71-Y102 HydrophobicContact CD1-CD2 4.48Å; Y71-F139 HydrophobicContact CD1-CD1 4.07Å; Y71-F139 HydrophobicContact CD2-CB 4.21Å; Y71-F139 AromaticContact CD2-CD1 3.5Å; Y71-F139 HydrophobicContact CD2-CD1 3.5Å; Y71-F139 HydrophobicContact CD2-CE1 4.22Å; Y71-F139 HydrophobicContact CD2-CG 4.07Å; Y71-F139 AromaticContact CE1-CD1 3.8Å; Y71-F139 HydrophobicContact CE1-CD1 3.8Å; Y71-F139 AromaticContact CE1-CE1 3.85Å; Y71-F139 HydrophobicContact CE1-CE1 3.85Å; Y71-F139 AromaticContact CE2-CD1 3.24Å; Y71-F139 HydrophobicContact CE2-CD1 3.24Å; Y71-F139 AromaticContact CE2-CE1 3.5Å; Y71-F139 HydrophobicContact CE2-CE1 3.5Å; Y71-F139 VanDerWaalsContact CE2-CE1 3.5Å; Y71-F139 HydrophobicContact CE2-CG 4.03Å; Y71-F139 HydrophobicContact CE2-CZ 4.41Å; Y71-F139 AromaticContact CG-CD1 3.91Å; Y71-F139 HydrophobicContact CG-CD1 3.91Å; Y71-F139 AromaticContact CZ-CD1 3.39Å; Y71-F139 AromaticContact CZ-CE1 3.25Å; Y71-F139 WeakPolarHBondContact OH-CE1 2.93Å
72L98.8Very high97.4Very high0 Ų035.9 Ų35.90%020%0.201CC..EExtended strand (participates in β ladder)trans-117.9109.9179.5-58.4173000108.8F70 Y105 T120 F139 G140 D141 G144 L147 A148 L151F70-L72 HydrophobicContact CE1-CD2 4.09Å; F70-L72 HydrophobicContact CE2-CD2 4.22Å; F70-L72 HydrophobicContact CZ-CD2 3.88Å; L72-Y105 HydrophobicContact CD2-CD1 4.33Å; L72-T120 HydrophobicContact CD1-CG2 4.22Å; L72-T120 HydrophobicContact CD2-CG2 3.75Å; L72-F139 PolarHBondContact N-O 3.36Å; L72-G140 WeakPolarHBondContact O-CA 3.48Å; L72-D141 PolarHBondContact O-N 3.11Å; L72-G144 WeakPolarHBondContact O-CA 3.32Å; L72-L147 HydrophobicContact CD1-CB 4.43Å; L72-L147 HydrophobicContact CD1-CD2 4.35Å; L72-L147 HydrophobicContact CD1-CG 4.05Å; L72-L147 HydrophobicContact CD2-CD2 4.19Å; L72-A148 HydrophobicContact CD1-CB 3.9Å; L72-L151 HydrophobicContact CD1-CD2 4.21Å
73H98.4Very high97.3Very high0 Ų035.1 Ų35.10%018%0.182CC..  trans-76.1158.7-171.868.187.7000113.4Y71 L79 A81 Y102 Y105 D141 G144Y71-H73 HydrophobicContact CE1-CB 4.12Å; H73-L79 PolarHBondContact CE1-O 3.11Å; H73-A81 HydrophobicContact CB-CB 3.74Å; H73-A81 PolarHBondContact CE1-N 3Å; H73-A81 VanDerWaalsContact CE1-N 3.27Å; H73-A81 VanDerWaalsContact CG-CB 3.49Å; H73-A81 PolarHBondContact ND1-N 2.93Å; H73-Y102 HydrophobicContact CB-CE2 4.46Å; H73-Y102 AromaticContact CD2-CE2 3.47Å; H73-Y102 VanDerWaalsContact CD2-CE2 3.47Å; H73-Y102 WeakPolarHBondContact CD2-CE2 3.4Å; H73-Y102 AromaticContact CD2-CZ 3.88Å; H73-Y105 AromaticContact CD2-CE1 3.38Å; H73-Y105 WeakPolarHBondContact CD2-CE1 3.23Å; H73-Y105 AromaticContact CE1-CE1 3.86Å; H73-Y105 AromaticContact CE1-CZ 3.73Å; H73-Y105 PolarHBondContact CE1-OH 3.35Å; H73-Y105 AromaticContact CG-CE1 3.93Å; H73-Y105 AromaticContact NE2-CE1 3.39Å; H73-Y105 WeakPolarHBondContact NE2-CE1 3.34Å; H73-Y105 AromaticContact NE2-CZ 3.7Å; H73-Y105 PolarHBondContact O-OH 2.9Å; H73-D141 WeakPolarHBondContact CA-OD1 3.37Å; H73-G144 WeakPolarHBondContact O-CA 3.42Å; H73-G144 PolarHBondContact O-N 3.31Å; H73-G144 VanDerWaalsContact O-N 3.17Å
74G98.4Very high97.2Very high1 Ų131.7 Ų31.71%0.0117%0.165CC..  trans-78.3-170.9169.300000113.5D141G74-D141 WeakPolarHBondContact CA-O 3.4Å; G74-D141 WeakPolarHBondContact CA-OD2 3.42Å; G74-D141 PolarHBondContact N-O 3.44Å; G74-D141 PolarHBondContact N-OD1 3.06Å; G74-D141 PolarHBondContact N-OD2 3.33Å
75G96.9Very high97.2Very high13 Ų1325.9 Ų25.913%0.13413%0.126CC..SBendtrans119.825.4-177.400000114.7Y77 A78 L79G75-Y77 PolarHBondContact O-N 2.88Å; G75-A78 PolarHBondContact O-N 3.25Å; G75-A78 VanDerWaalsContact O-N 3.1Å; G75-L79 WeakPolarHBondContact O-CB 3.44Å; G75-L79 PolarHBondContact O-N 2.97Å
76G97.9Very high97.1Very high0 Ų026.7 Ų26.70%013%0.128CC..THydrogen-bonded Turntrans63.227.6172.600000114.2A78G76-A78 PolarHBondContact O-N 3.21Å
77Y98.5Very high96.9Very high2 Ų223.6 Ų23.61%0.00812%0.12CC..THydrogen-bonded Turntrans58.35.3-171.8-50.6-75.4000115.5G75 L107 A108 A143 L147 W173 Y205G75-Y77 PolarHBondContact O-N 2.88Å; Y77-L107 VanDerWaalsContact C-CD2 3.46Å; Y77-L107 CarbonylContact O-C 3.56Å; Y77-L107 WeakPolarHBondContact O-CA 3.23Å; Y77-L107 WeakPolarHBondContact O-CB 3.25Å; Y77-L107 WeakPolarHBondContact O-CD2 3.46Å; Y77-A108 PolarHBondContact O-N 3.35Å; Y77-A143 HydrophobicContact CD1-CB 3.86Å; Y77-A143 HydrophobicContact CD2-CB 3.85Å; Y77-A143 HydrophobicContact CE1-CB 3.83Å; Y77-A143 WeakPolarHBondContact CE1-O 3.33Å; Y77-A143 HydrophobicContact CE2-CB 3.83Å; Y77-A143 HydrophobicContact CG-CB 3.87Å; Y77-A143 PolarHBondContact OH-O 3.2Å; Y77-L147 HydrophobicContact CE1-CB 4.21Å; Y77-W173 AromaticContact CD2-CE3 3.93Å; Y77-W173 HydrophobicContact CD2-CE3 3.93Å; Y77-W173 HydrophobicContact CD2-CH2 4.46Å; Y77-W173 AromaticContact CD2-CZ3 3.59Å; Y77-W173 HydrophobicContact CD2-CZ3 3.59Å; Y77-W173 HydrophobicContact CE2-CD2 4.34Å; Y77-W173 AromaticContact CE2-CE3 3.54Å; Y77-W173 HydrophobicContact CE2-CE3 3.54Å; Y77-W173 HydrophobicContact CE2-CH2 4.49Å; Y77-W173 AromaticContact CE2-CZ3 3.63Å; Y77-W173 HydrophobicContact CE2-CZ3 3.63Å; Y77-Y205 VanDerWaalsContact CB-CD2 3.45Å; Y77-Y205 HydrophobicContact CD1-CD1 4.04Å; Y77-Y205 AromaticContact CD1-CD2 3.85Å; Y77-Y205 HydrophobicContact CD1-CD2 3.85Å; Y77-Y205 AromaticContact CD1-CE1 3.83Å; Y77-Y205 HydrophobicContact CD1-CE1 3.83Å; Y77-Y205 AromaticContact CD1-CE2 3.62Å; Y77-Y205 HydrophobicContact CD1-CE2 3.62Å; Y77-Y205 HydrophobicContact CD1-CG 4.05Å; Y77-Y205 AromaticContact CD1-CZ 3.61Å; Y77-Y205 AromaticContact CD2-CD1 3.47Å; Y77-Y205 HydrophobicContact CD2-CD1 3.47Å; Y77-Y205 VanDerWaalsContact CD2-CD1 3.47Å; Y77-Y205 HydrophobicContact CD2-CD2 4.11Å; Y77-Y205 HydrophobicContact CD2-CE1 4.01Å; Y77-Y205 AromaticContact CD2-CG 3.52Å; Y77-Y205 HydrophobicContact CD2-CG 3.52Å; Y77-Y205 HydrophobicContact CE1-CD1 4.13Å; Y77-Y205 AromaticContact CE1-CE1 3.63Å; Y77-Y205 HydrophobicContact CE1-CE1 3.63Å; Y77-Y205 HydrophobicContact CE1-CE2 4.18Å; Y77-Y205 AromaticContact CE1-CZ 3.67Å; Y77-Y205 AromaticContact CE2-CD1 3.56Å; Y77-Y205 HydrophobicContact CE2-CD1 3.56Å; Y77-Y205 AromaticContact CE2-CE1 3.83Å; Y77-Y205 HydrophobicContact CE2-CE1 3.83Å; Y77-Y205 HydrophobicContact CE2-CG 4.13Å; Y77-Y205 AromaticContact CG-CD1 3.71Å; Y77-Y205 HydrophobicContact CG-CD1 3.71Å; Y77-Y205 AromaticContact CG-CD2 3.55Å; Y77-Y205 HydrophobicContact CG-CD2 3.55Å; Y77-Y205 HydrophobicContact CG-CE1 4Å; Y77-Y205 AromaticContact CG-CE2 3.85Å; Y77-Y205 HydrophobicContact CG-CE2 3.85Å; Y77-Y205 AromaticContact CG-CG 3.47Å; Y77-Y205 HydrophobicContact CG-CG 3.47Å; Y77-Y205 VanDerWaalsContact CG-CG 3.47Å; Y77-Y205 AromaticContact CZ-CD1 3.9Å; Y77-Y205 AromaticContact CZ-CE1 3.63Å
78A98Very high96.9Very high8 Ų819.3 Ų19.37%0.06610%0.104CC..THydrogen-bonded Turntrans-121-25.9-173.100000113.1M25 P28 G75 G76 A108M25-A78 WeakPolarHBondContact O-CB 3.26Å; P28-A78 HydrophobicContact CB-CB 4.22Å; P28-A78 HydrophobicContact CG-CB 4.2Å; G75-A78 PolarHBondContact O-N 3.25Å; G75-A78 VanDerWaalsContact O-N 3.1Å; G76-A78 PolarHBondContact O-N 3.21Å; A78-A108 WeakPolarHBondContact CA-O 3.41Å
79L96.5Very high96.8Very high37 Ų3719.3 Ų19.319%0.19410%0.104CC..SBendtrans-101.4140.8-176.8-57.4178.4000111.8T24 M25 P28 H73 G75T24-L79 VanDerWaalsContact O-CD2 3.28Å; T24-L79 WeakPolarHBondContact O-CD2 3.48Å; M25-L79 HydrophobicContact CE-CD1 4.14Å; M25-L79 HydrophobicContact CG-CD1 3.85Å; M25-L79 HydrophobicContact CG-CG 4.14Å; P28-L79 HydrophobicContact CB-CD2 4.37Å; H73-L79 PolarHBondContact CE1-O 3.11Å; G75-L79 WeakPolarHBondContact O-CB 3.44Å; G75-L79 PolarHBondContact O-N 2.97Å
80E95.3Very high96.7Very high35 Ų3520.8 Ų20.816%0.16411%0.111CC..PPolyproline II helixtrans-64.7152.6171.9-55.9-173.4125.500110.9R31 R32 R33 S82 L107R31-E80 WeakPolarHBondContact CB-OE1 3.12Å; R31-E80 HydrophobicContact CG-CG 4.35Å; R32-E80 VanDerWaalsContact N-CD 3.35Å; R32-E80 PolarHBondContact N-OE1 2.8Å; R32-E80 VanDerWaalsContact N-OE1 3.09Å; R32-E80 PolarHBondContact N-OE2 2.82Å; R33-E80 WeakPolarHBondContact CA-OE1 3.07Å; R33-E80 PolarHBondContact N-OE1 2.95Å; R33-E80 PolarHBondContact N-OE2 2.81Å; E80-S82 PolarHBondContact O-N 2.79Å; E80-L107 HydrophobicContact CG-CD1 4.3Å
81A95.4Very high96.6Very high3 Ų324.1 Ų24.13%0.02512%0.124CC..PPolyproline II helixtrans-51142.8171.300000111.3I35 H73 H85 Y102I35-A81 HydrophobicContact CB-CB 3.81Å; I35-A81 HydrophobicContact CG1-CB 3.57Å; I35-A81 WeakPolarHBondContact CG1-O 3.39Å; I35-A81 HydrophobicContact CG2-CB 3.97Å; H73-A81 HydrophobicContact CB-CB 3.74Å; H73-A81 PolarHBondContact CE1-N 3Å; H73-A81 VanDerWaalsContact CE1-N 3.27Å; H73-A81 VanDerWaalsContact CG-CB 3.49Å; H73-A81 PolarHBondContact ND1-N 2.93Å; A81-H85 HydrophobicContact CB-CB 4.27Å; A81-Y102 HydrophobicContact CB-CE2 3.75Å; A81-Y102 WeakPolarHBondContact CB-OH 3.14Å
82S93.3Very high96.6Very high34 Ų3424.1 Ų24.124%0.23812%0.124CC..PPolyproline II helixtrans-90.6162.2176.681.40000112.8I35 E80 F84 H85I35-S82 VanDerWaalsContact CD1-C 3.49Å; I35-S82 WeakPolarHBondContact CD1-O 3.49Å; I35-S82 WeakPolarHBondContact CG1-O 3.48Å; E80-S82 PolarHBondContact O-N 2.79Å; S82-F84 PolarHBondContact O-N 2.68Å; S82-F84 PolarHBondContact OG-N 2.81Å; S82-H85 PolarHBondContact N-ND1 3.17Å; S82-H85 WeakPolarHBondContact O-CB 3.33Å; S82-H85 PolarHBondContact O-N 3.48Å; S82-H85 PolarHBondContact O-ND1 3.38Å; S82-H85 PolarHBondContact OG-CE1 2.75Å; S82-H85 PolarHBondContact OG-ND1 2.99Å
83P92.3Very high96.6Very high60 Ų6024.2 Ų24.239%0.3913%0.125SC..Hα-helixtrans-50.8-27.5172.7-27.435.6000114.5K86 E87P83-K86 WeakPolarHBondContact O-CB 3.35Å; P83-K86 PolarHBondContact O-N 3.27Å; P83-E87 PolarHBondContact O-N 2.92Å; P83-E87 VanDerWaalsContact O-N 3.13Å
84F94.6Very high96.6Very high67 Ų6730 Ų3029%0.29415%0.15SC..Hα-helixtrans-72.8-29.8179.6-48.7-47.1000112.9S82 K86 E87 I88 V272 Y273 P274S82-F84 PolarHBondContact O-N 2.68Å; S82-F84 PolarHBondContact OG-N 2.81Å; F84-K86 VanDerWaalsContact C-N 3.33Å; F84-E87 WeakPolarHBondContact O-CB 3.25Å; F84-E87 PolarHBondContact O-N 2.85Å; F84-I88 PolarHBondContact O-N 3.37Å; F84-V272 HydrophobicContact CB-CG1 4.07Å; F84-V272 VanDerWaalsContact CB-O 3.23Å; F84-V272 WeakPolarHBondContact CB-O 3.22Å; F84-Y273 HydrophobicContact CD2-CD1 4.4Å; F84-Y273 HydrophobicContact CE2-CD1 4.22Å; F84-Y273 HydrophobicContact CE2-CE1 4.41Å; F84-P274 HydrophobicContact CD1-CB 4.44Å; F84-P274 HydrophobicContact CD1-CG 3.93Å; F84-P274 HydrophobicContact CE1-CB 4.43Å; F84-P274 HydrophobicContact CE1-CG 3.58Å; F84-P274 HydrophobicContact CZ-CG 3.95Å
85H96.6Very high96.6Very high11 Ų1136.9 Ų36.95%0.05118%0.175CC..Hα-helixtrans-65.1-40.2170.1-57.389.1000110.7Y71 A81 S82 E87 I88 Q89 D141Y71-H85 HydrophobicContact CE1-CB 4.15Å; Y71-H85 PolarHBondContact OH-CD2 3.46Å; A81-H85 HydrophobicContact CB-CB 4.27Å; S82-H85 PolarHBondContact N-ND1 3.17Å; S82-H85 WeakPolarHBondContact O-CB 3.33Å; S82-H85 PolarHBondContact O-N 3.48Å; S82-H85 PolarHBondContact O-ND1 3.38Å; S82-H85 PolarHBondContact OG-CE1 2.75Å; S82-H85 PolarHBondContact OG-ND1 2.99Å; H85-E87 VanDerWaalsContact C-N 3.31Å; H85-E87 PolarHBondContact O-N 3.12Å; H85-I88 PolarHBondContact O-N 2.94Å; H85-Q89 WeakPolarHBondContact O-CG 3.39Å; H85-Q89 PolarHBondContact O-N 3.34Å; H85-D141 IonicContact CD2-OD1 3.67Å; H85-D141 PolarHBondContact CD2-OD1 3.42Å; H85-D141 VanDerWaalsContact CD2-OD1 3.29Å; H85-D141 IonicContact CD2-OD2 3.79Å; H85-D141 IonicContact NE2-OD1 3.56Å; H85-D141 PolarHBondContact NE2-OD1 2.82Å; H85-D141 IonicContact NE2-OD2 2.86Å; H85-D141 PolarHBondContact NE2-OD2 3.5Å
86K95.6Very high96.6Very high40 Ų4036.8 Ų36.817%0.17417%0.171CC..Hα-helixtrans-58.6-43.1173.3165.1174.7-175.8-63.90111.1I35 Q38 L39 P83 F84 I88 Q89 E90I35-K86 HydrophobicContact CD1-CB 3.49Å; I35-K86 VanDerWaalsContact CD1-CB 3.49Å; Q38-K86 HydrophobicContact CB-CD 3.71Å; Q38-K86 VanDerWaalsContact O-CE 3.3Å; Q38-K86 WeakPolarHBondContact O-CE 3.47Å; L39-K86 HydrophobicContact CD2-CB 4.21Å; L39-K86 HydrophobicContact CD2-CD 4.07Å; L39-K86 HydrophobicContact CD2-CG 3.8Å; P83-K86 WeakPolarHBondContact O-CB 3.35Å; P83-K86 PolarHBondContact O-N 3.27Å; F84-K86 VanDerWaalsContact C-N 3.33Å; K86-I88 VanDerWaalsContact C-N 3.29Å; K86-I88 PolarHBondContact O-N 3.29Å; K86-Q89 PolarHBondContact O-N 3.33Å; K86-E90 WeakPolarHBondContact CE-OE1 3.41Å; K86-E90 HydrophobicContact CG-CG 4.15Å; K86-E90 IonicContact NZ-OE1 3.32Å; K86-E90 PolarHBondContact NZ-OE1 2.88Å; K86-E90 IonicContact NZ-OE2 3.74Å; K86-E90 PolarHBondContact NZ-OE2 2.86Å; K86-E90 WeakPolarHBondContact O-CB 3.38Å; K86-E90 WeakPolarHBondContact O-CG 3.42Å; K86-E90 PolarHBondContact O-N 2.79Å
87E94.9Very high96.7Very high86 Ų8639 Ų3940%0.40218%0.183SC..Hα-helixtrans-58.8-39.7177.1-69.3-176.9-160.700112.5P83 F84 H85 R91P83-E87 PolarHBondContact O-N 2.92Å; P83-E87 VanDerWaalsContact O-N 3.13Å; F84-E87 WeakPolarHBondContact O-CB 3.25Å; F84-E87 PolarHBondContact O-N 2.85Å; H85-E87 VanDerWaalsContact C-N 3.31Å; H85-E87 PolarHBondContact O-N 3.12Å; E87-R91 VanDerWaalsContact O-CB 3.3Å; E87-R91 WeakPolarHBondContact O-CB 3.3Å; E87-R91 PolarHBondContact O-N 2.79Å
88I97.5Very high96.7Very high8 Ų838.9 Ų38.94%0.04118%0.183CC..Hα-helixtrans-66.9-47.7175.9-66.8174.1000110.9Y71 F84 H85 K86 E90 R91 F92 V272 V282Y71-I88 HydrophobicContact CE2-CB 4.32Å; Y71-I88 HydrophobicContact CE2-CG2 3.83Å; F84-I88 PolarHBondContact O-N 3.37Å; H85-I88 PolarHBondContact O-N 2.94Å; K86-I88 VanDerWaalsContact C-N 3.29Å; K86-I88 PolarHBondContact O-N 3.29Å; I88-E90 PolarHBondContact O-N 3.19Å; I88-R91 WeakPolarHBondContact O-CB 3.49Å; I88-R91 PolarHBondContact O-N 2.85Å; I88-R91 VanDerWaalsContact O-N 3.11Å; I88-F92 HydrophobicContact CG2-CD1 4.39Å; I88-F92 HydrophobicContact CG2-CD2 4.15Å; I88-F92 HydrophobicContact CG2-CE1 3.91Å; I88-F92 HydrophobicContact CG2-CE2 3.64Å; I88-F92 HydrophobicContact CG2-CG 4.49Å; I88-F92 HydrophobicContact CG2-CZ 3.48Å; I88-F92 VanDerWaalsContact CG2-CZ 3.48Å; I88-F92 PolarHBondContact O-N 2.73Å; I88-V272 HydrophobicContact CD1-CB 4.41Å; I88-V272 HydrophobicContact CD1-CG2 4.3Å; I88-V282 HydrophobicContact CD1-CG2 4.28Å; I88-V282 HydrophobicContact CG1-CG1 4.21Å; I88-V282 HydrophobicContact CG1-CG2 4.26Å; I88-V282 HydrophobicContact CG2-CG1 4.1Å
89Q97.8Very high96.7Very high0 Ų039.2 Ų39.20%018%0.182CC..Hα-helixtrans-57.9-48.2178.3-67.6175.348.700111.3L59 Y71 H85 K86 R91 F92 V93 V100L59-Q89 HydrophobicContact CD1-CB 4.16Å; Y71-Q89 HydrophobicContact CD1-CG 4.33Å; Y71-Q89 HydrophobicContact CD2-CG 3.53Å; Y71-Q89 HydrophobicContact CE1-CG 4.49Å; Y71-Q89 HydrophobicContact CE2-CG 3.67Å; Y71-Q89 HydrophobicContact CG-CG 3.89Å; H85-Q89 WeakPolarHBondContact O-CG 3.39Å; H85-Q89 PolarHBondContact O-N 3.34Å; K86-Q89 PolarHBondContact O-N 3.33Å; Q89-R91 VanDerWaalsContact C-N 3.27Å; Q89-R91 PolarHBondContact O-N 3.24Å; Q89-F92 PolarHBondContact O-N 2.74Å; Q89-V93 WeakPolarHBondContact O-CG2 3.48Å; Q89-V93 PolarHBondContact O-N 3.42Å; Q89-V100 HydrophobicContact CB-CG1 4.17Å; Q89-V100 HydrophobicContact CG-CG1 3.99Å
90E96.9Very high96.8Very high32 Ų3237.4 Ų37.415%0.1517%0.173CC..Hα-helixtrans-62.9-34.7176.8-68.2-174.214300112.1T42 I44 K86 I88 V93 K94T42-E90 WeakPolarHBondContact CB-OE1 3.4Å; T42-E90 PolarHBondContact OG1-OE1 3.16Å; I44-E90 HydrophobicContact CD1-CB 3.98Å; I44-E90 HydrophobicContact CD1-CG 3.69Å; K86-E90 WeakPolarHBondContact CE-OE1 3.41Å; K86-E90 HydrophobicContact CG-CG 4.15Å; K86-E90 IonicContact NZ-OE1 3.32Å; K86-E90 PolarHBondContact NZ-OE1 2.88Å; K86-E90 IonicContact NZ-OE2 3.74Å; K86-E90 PolarHBondContact NZ-OE2 2.86Å; K86-E90 WeakPolarHBondContact O-CB 3.38Å; K86-E90 WeakPolarHBondContact O-CG 3.42Å; K86-E90 PolarHBondContact O-N 2.79Å; I88-E90 PolarHBondContact O-N 3.19Å; E90-V93 PolarHBondContact O-N 2.91Å; E90-K94 VanDerWaalsContact O-CB 3.28Å; E90-K94 WeakPolarHBondContact O-CB 3.34Å; E90-K94 WeakPolarHBondContact O-CG 3.25Å; E90-K94 PolarHBondContact O-N 2.81Å
91R97.1Very high97Very high69 Ų6935.8 Ų35.826%0.2617%0.165SC..Hα-helixtrans-66.6-45.3174.6-173.1174.8-173.482.6-2.1111.6E87 I88 Q89 V93 K94 R95 D283E87-R91 VanDerWaalsContact O-CB 3.3Å; E87-R91 WeakPolarHBondContact O-CB 3.3Å; E87-R91 PolarHBondContact O-N 2.79Å; I88-R91 WeakPolarHBondContact O-CB 3.49Å; I88-R91 PolarHBondContact O-N 2.85Å; I88-R91 VanDerWaalsContact O-N 3.11Å; Q89-R91 VanDerWaalsContact C-N 3.27Å; Q89-R91 PolarHBondContact O-N 3.24Å; R91-V93 VanDerWaalsContact C-N 3.28Å; R91-V93 PolarHBondContact O-N 2.96Å; R91-K94 PolarHBondContact O-N 3.22Å; R91-R95 HydrophobicContact CG-CB 4.24Å; R91-R95 WeakPolarHBondContact O-CA 3.46Å; R91-R95 WeakPolarHBondContact O-CB 3.16Å; R91-R95 PolarHBondContact O-N 3.27Å; R91-D283 IonicContact CZ-OD1 3.66Å; R91-D283 IonicContact CZ-OD2 2.62Å; R91-D283 IonicContact NE-OD1 3.89Å; R91-D283 PolarHBondContact NE-OD1 3.03Å; R91-D283 IonicContact NH2-OD1 2.81Å; R91-D283 PolarHBondContact NH2-OD1 2.9Å; R91-D283 IonicContact NH2-OD2 2.81Å; R91-D283 PolarHBondContact NH2-OD2 3.01Å
92F98.7Very high97.1Very high0 Ų035.7 Ų35.70%016%0.164CC..Hα-helixtrans-57.5-43174.4-71.7-10.4000111.6Y71 I88 Q89 Y96 N97 L98 V100 F139 V282 I285 Y289Y71-F92 HydrophobicContact CD2-CE2 4.35Å; Y71-F92 HydrophobicContact CE2-CE2 4.26Å; I88-F92 HydrophobicContact CG2-CD1 4.39Å; I88-F92 HydrophobicContact CG2-CD2 4.15Å; I88-F92 HydrophobicContact CG2-CE1 3.91Å; I88-F92 HydrophobicContact CG2-CE2 3.64Å; I88-F92 HydrophobicContact CG2-CG 4.49Å; I88-F92 HydrophobicContact CG2-CZ 3.48Å; I88-F92 VanDerWaalsContact CG2-CZ 3.48Å; I88-F92 PolarHBondContact O-N 2.73Å; Q89-F92 PolarHBondContact O-N 2.74Å; F92-Y96 HydrophobicContact CD1-CD2 4.33Å; F92-Y96 CarbonylContact O-C 3.58Å; F92-Y96 WeakPolarHBondContact O-CB 3.21Å; F92-Y96 PolarHBondContact O-N 3.01Å; F92-N97 PolarHBondContact O-N 3.37Å; F92-L98 HydrophobicContact CB-CB 4.42Å; F92-L98 HydrophobicContact CB-CD1 3.98Å; F92-L98 HydrophobicContact CG-CD1 4.26Å; F92-L98 PolarHBondContact O-N 3.46Å; F92-V100 HydrophobicContact CB-CG2 3.78Å; F92-F139 HydrophobicContact CE2-CB 4.49Å; F92-F139 HydrophobicContact CE2-CD2 4.21Å; F92-F139 HydrophobicContact CE2-CG 4.26Å; F92-F139 HydrophobicContact CZ-CD2 4.29Å; F92-V282 HydrophobicContact CE1-CG1 4Å; F92-I285 HydrophobicContact CE1-CB 4.39Å; F92-I285 HydrophobicContact CE1-CG2 4.04Å; F92-I285 HydrophobicContact CE2-CG2 4.31Å; F92-I285 HydrophobicContact CZ-CB 4.19Å; F92-I285 HydrophobicContact CZ-CG2 3.47Å; F92-I285 VanDerWaalsContact CZ-CG2 3.47Å; F92-Y289 HydrophobicContact CE2-CE2 4.3Å; F92-Y289 HydrophobicContact CZ-CE2 4.45Å
93V98.6Very high97.3Very high3 Ų334.1 Ų34.12%0.01815%0.153CC..Hα-helixtrans-66.9-55.6177.4179.10000111.6I44 L59 P61 Q89 E90 R91 N97 L98 V100I44-V93 HydrophobicContact CD1-CB 4.06Å; I44-V93 HydrophobicContact CD1-CG1 4.02Å; I44-V93 HydrophobicContact CG2-CG1 3.76Å; L59-V93 HydrophobicContact CB-CG2 3.72Å; L59-V93 HydrophobicContact CD1-CG2 4.18Å; P61-V93 VanDerWaalsContact CA-CG1 3.47Å; P61-V93 HydrophobicContact CB-CG1 3.76Å; P61-V93 WeakPolarHBondContact CB-O 3.33Å; Q89-V93 WeakPolarHBondContact O-CG2 3.48Å; Q89-V93 PolarHBondContact O-N 3.42Å; E90-V93 PolarHBondContact O-N 2.91Å; R91-V93 VanDerWaalsContact C-N 3.28Å; R91-V93 PolarHBondContact O-N 2.96Å; V93-N97 WeakPolarHBondContact O-CA 3.42Å; V93-N97 PolarHBondContact O-N 2.79Å; V93-L98 WeakPolarHBondContact CA-O 3.19Å; V93-V100 HydrophobicContact CG2-CB 3.97Å; V93-V100 HydrophobicContact CG2-CG2 3.63Å
94K97.7Very high97.4Very high122 Ų12231.3 Ų31.353%0.5314%0.135SC..Hα-helixtrans-75.6-37.2-170.1-68.3-178.8174.7-178.90113.4D43 I44 E90 R91D43-K94 IonicContact OD1-NZ 3.05Å; D43-K94 PolarHBondContact OD1-NZ 2.92Å; D43-K94 IonicContact OD2-NZ 2.65Å; D43-K94 PolarHBondContact OD2-NZ 2.86Å; I44-K94 HydrophobicContact CD1-CD 4.38Å; I44-K94 HydrophobicContact CD1-CG 4.17Å; I44-K94 VanDerWaalsContact CG1-CE 3.47Å; E90-K94 VanDerWaalsContact O-CB 3.28Å; E90-K94 WeakPolarHBondContact O-CB 3.34Å; E90-K94 WeakPolarHBondContact O-CG 3.25Å; E90-K94 PolarHBondContact O-N 2.81Å; R91-K94 PolarHBondContact O-N 3.22Å
95R97.7Very high97.6Very high144 Ų14428.1 Ų28.154%0.54312%0.121SC..Hα-helixtrans-92.5-36.6-175.1-176.9171.9176.272.3-1.6113.1R91 D283R91-R95 HydrophobicContact CG-CB 4.24Å; R91-R95 WeakPolarHBondContact O-CA 3.46Å; R91-R95 WeakPolarHBondContact O-CB 3.16Å; R91-R95 PolarHBondContact O-N 3.27Å; R95-D283 IonicContact CZ-OD2 3.29Å; R95-D283 IonicContact NE-OD1 3.87Å; R95-D283 PolarHBondContact NE-OD1 3.17Å; R95-D283 IonicContact NE-OD2 3.11Å; R95-D283 IonicContact NH2-OD2 3.3Å
96Y98.5Very high97.6Very high11 Ų1127.6 Ų27.64%0.04312%0.119CC..Hα-helixtrans-108.42.1-171.5-67.4-74.3000113.7F92 L98 D283 G286 E287 Q290F92-Y96 HydrophobicContact CD1-CD2 4.33Å; F92-Y96 CarbonylContact O-C 3.58Å; F92-Y96 WeakPolarHBondContact O-CB 3.21Å; F92-Y96 PolarHBondContact O-N 3.01Å; Y96-L98 PolarHBondContact O-N 3.01Å; Y96-D283 WeakPolarHBondContact OH-CA 3.2Å; Y96-D283 WeakPolarHBondContact OH-CB 3.41Å; Y96-D283 PolarHBondContact OH-O 3.15Å; Y96-D283 VanDerWaalsContact OH-O 3.07Å; Y96-D283 PolarHBondContact OH-OD1 3.08Å; Y96-G286 WeakPolarHBondContact CD1-O 3.36Å; Y96-E287 HydrophobicContact CE1-CB 4.43Å; Y96-E287 HydrophobicContact CE1-CG 3.69Å; Y96-E287 WeakPolarHBondContact CE1-OE1 3.24Å; Y96-Q290 PolarHBondContact O-NE2 2.87Å
97N98.5Very high97.7Very high47 Ų4725.7 Ų25.725%0.25111%0.11SC..  trans50.842.7-178.4-163.561.8000111.9P61 H63 T65 F92 V93P61-N97 VanDerWaalsContact CB-OD1 3.27Å; P61-N97 WeakPolarHBondContact CB-OD1 3.48Å; H63-N97 WeakPolarHBondContact CB-OD1 3.5Å; H63-N97 PolarHBondContact N-OD1 3.47Å; H63-N97 PolarHBondContact O-ND2 2.8Å; H63-N97 PolarHBondContact O-OD1 2.79Å; H63-N97 VanDerWaalsContact O-OD1 3.12Å; T65-N97 VanDerWaalsContact CB-O 3.24Å; T65-N97 WeakPolarHBondContact CB-O 3.5Å; T65-N97 VanDerWaalsContact CG2-O 3.3Å; T65-N97 WeakPolarHBondContact CG2-O 3.3Å; T65-N97 PolarHBondContact OG1-O 2.75Å; T65-N97 VanDerWaalsContact OG1-O 3.05Å; F92-N97 PolarHBondContact O-N 3.37Å; V93-N97 WeakPolarHBondContact O-CA 3.42Å; V93-N97 PolarHBondContact O-N 2.79Å
98L98.8Very high97.8Very high0 Ų021.7 Ų21.70%09%0.092CC..  trans-96.7140.4178.3-61.8170.8000109.8R67 V69 F92 V93 Y96 V100 Y289R67-L98 HydrophobicContact CB-CD2 3.6Å; R67-L98 HydrophobicContact CG-CD2 4.5Å; V69-L98 HydrophobicContact CG2-CB 4.44Å; V69-L98 HydrophobicContact CG2-CD1 3.97Å; F92-L98 HydrophobicContact CB-CB 4.42Å; F92-L98 HydrophobicContact CB-CD1 3.98Å; F92-L98 HydrophobicContact CG-CD1 4.26Å; F92-L98 PolarHBondContact O-N 3.46Å; V93-L98 WeakPolarHBondContact CA-O 3.19Å; Y96-L98 PolarHBondContact O-N 3.01Å; L98-V100 HydrophobicContact CB-CG2 4.31Å; L98-Y289 HydrophobicContact CD1-CD2 3.81Å; L98-Y289 HydrophobicContact CD1-CG 4.39Å
99K98.7Very high97.8Very high14 Ų1424.5 Ų24.56%0.06111%0.111CC..EExtended strand (participates in β ladder)trans-77.9133.5161.3-171-174.3-61.3161.30107.3T58 L59 F60 T65 R67 H68 V69 D134T58-K99 HydrophobicContact CG2-CD 3.88Å; T58-K99 HydrophobicContact CG2-CG 3.65Å; L59-K99 WeakPolarHBondContact O-CA 3.23Å; F60-K99 HydrophobicContact CD1-CD 4.23Å; F60-K99 HydrophobicContact CD1-CG 4.2Å; F60-K99 HydrophobicContact CE1-CD 3.96Å; F60-K99 HydrophobicContact CE1-CG 4.32Å; T65-K99 HydrophobicContact CG2-CB 4.02Å; R67-K99 PolarHBondContact O-N 3.48Å; H68-K99 CarbonylContact C-O 3.49Å; H68-K99 WeakPolarHBondContact CA-O 3.2Å; H68-K99 HydrophobicContact CB-CB 4.45Å; H68-K99 VanDerWaalsContact CE1-CD 3.48Å; H68-K99 WeakPolarHBondContact CE1-CD 3.34Å; H68-K99 WeakPolarHBondContact ND1-CD 3.48Å; V69-K99 PolarHBondContact N-O 2.86Å; K99-D134 VanDerWaalsContact NZ-CG 3.25Å; K99-D134 IonicContact NZ-OD1 3.45Å; K99-D134 PolarHBondContact NZ-OD1 2.82Å; K99-D134 IonicContact NZ-OD2 2.97Å; K99-D134 PolarHBondContact NZ-OD2 2.78Å
100V98.8Very high97.6Very high0 Ų030 Ų300%014%0.136CC..EExtended strand (participates in β ladder)trans-127.4119-177.2-1780000109.3T58 L59 V69 Y71 Q89 F92 V93 L98T58-V100 CarbonylContact C-O 3.56Å; T58-V100 WeakPolarHBondContact CA-O 3.31Å; L59-V100 PolarHBondContact N-O 3.05Å; L59-V100 PolarHBondContact O-N 3.47Å; L59-V100 VanDerWaalsContact O-N 3.1Å; V69-V100 HydrophobicContact CB-CG2 4.39Å; V69-V100 CarbonylContact O-C 3.56Å; V69-V100 WeakPolarHBondContact O-CA 3.24Å; Y71-V100 HydrophobicContact CD2-CG1 4.44Å; Q89-V100 HydrophobicContact CB-CG1 4.17Å; Q89-V100 HydrophobicContact CG-CG1 3.99Å; F92-V100 HydrophobicContact CB-CG2 3.78Å; V93-V100 HydrophobicContact CG2-CB 3.97Å; V93-V100 HydrophobicContact CG2-CG2 3.63Å; L98-V100 HydrophobicContact CB-CG2 4.31Å
101S98.6Very high97.7Very high0 Ų029.7 Ų29.70%014%0.136CC..EExtended strand (participates in β ladder)trans-102.3126.7170.4-75.20000110.8I57 T58 H68 V69 F70 Y71 L127I57-S101 CarbonylContact O-C 3.6Å; I57-S101 VanDerWaalsContact O-CA 3.25Å; I57-S101 WeakPolarHBondContact O-CA 3.48Å; T58-S101 WeakPolarHBondContact CB-OG 3.5Å; T58-S101 WeakPolarHBondContact CG2-OG 3.37Å; T58-S101 PolarHBondContact OG1-OG 2.9Å; H68-S101 WeakPolarHBondContact NE2-CB 3.13Å; H68-S101 PolarHBondContact NE2-OG 3.21Å; V69-S101 PolarHBondContact O-N 3.02Å; F70-S101 WeakPolarHBondContact CD2-O 3.38Å; Y71-S101 PolarHBondContact N-O 3.36Å; S101-L127 VanDerWaalsContact CB-CD1 3.49Å; S101-L127 WeakPolarHBondContact OG-CD2 3.31Å
102Y97.9Very high97.7Very high2 Ų228 Ų281%0.00813%0.133CC..EExtended strand (participates in β ladder)trans-105.9129.4171.9168.2-94000109I35 L39 L56 I57 Y71 H73 A81 D104I35-Y102 HydrophobicContact CG2-CD1 4.39Å; I35-Y102 HydrophobicContact CG2-CD2 4.42Å; I35-Y102 HydrophobicContact CG2-CE1 3.93Å; I35-Y102 HydrophobicContact CG2-CE2 3.92Å; L39-Y102 HydrophobicContact CD1-CD1 4.12Å; L39-Y102 HydrophobicContact CD1-CG 4.14Å; L56-Y102 WeakPolarHBondContact CA-O 3.33Å; I57-Y102 HydrophobicContact CD1-CD1 4.42Å; I57-Y102 PolarHBondContact N-O 3.44Å; I57-Y102 PolarHBondContact O-N 2.79Å; Y71-Y102 HydrophobicContact CD1-CD2 4.48Å; H73-Y102 HydrophobicContact CB-CE2 4.46Å; H73-Y102 AromaticContact CD2-CE2 3.47Å; H73-Y102 VanDerWaalsContact CD2-CE2 3.47Å; H73-Y102 WeakPolarHBondContact CD2-CE2 3.4Å; H73-Y102 AromaticContact CD2-CZ 3.88Å; A81-Y102 HydrophobicContact CB-CE2 3.75Å; A81-Y102 WeakPolarHBondContact CB-OH 3.14Å; Y102-D104 HydrophobicContact CE1-CB 3.86Å
103F97.2Very high97.7Very high0 Ų028 Ų280%013%0.133CC..EExtended strand (participates in β ladder)trans-111.1122.5171.6-178.9-131000109.7I51 H54 Q55 L56 F70 Y105 L119 T120 A123I51-F103 HydrophobicContact CB-CE2 4.1Å; I51-F103 HydrophobicContact CB-CZ 4.45Å; I51-F103 HydrophobicContact CD1-CE2 4.47Å; H54-F103 HydrophobicContact CB-CD2 4.48Å; H54-F103 HydrophobicContact CB-CE2 3.56Å; H54-F103 HydrophobicContact CB-CZ 3.85Å; Q55-F103 WeakPolarHBondContact O-CA 3.23Å; Q55-F103 WeakPolarHBondContact O-CD2 3.42Å; L56-F103 HydrophobicContact CB-CD2 4.2Å; L56-F103 HydrophobicContact CD1-CB 4.09Å; F70-F103 HydrophobicContact CE2-CB 3.51Å; F70-F103 HydrophobicContact CZ-CB 3.75Å; F70-F103 HydrophobicContact CZ-CD1 4.37Å; F70-F103 HydrophobicContact CZ-CG 4.38Å; F103-Y105 WeakPolarHBondContact O-CD1 3.34Å; F103-Y105 PolarHBondContact O-N 3.32Å; F103-L119 HydrophobicContact CE1-CB 4.33Å; F103-L119 WeakPolarHBondContact CE1-O 3.22Å; F103-L119 HydrophobicContact CZ-CB 4.26Å; F103-T120 HydrophobicContact CD1-CG2 4.42Å; F103-A123 HydrophobicContact CB-CB 4.34Å; F103-A123 HydrophobicContact CD1-CB 3.77Å; F103-A123 HydrophobicContact CD2-CB 3.91Å; F103-A123 HydrophobicContact CE1-CB 3.98Å; F103-A123 HydrophobicContact CE2-CB 4.11Å; F103-A123 HydrophobicContact CG-CB 3.76Å; F103-A123 HydrophobicContact CZ-CB 4.14Å
104D95.5Very high97.7Very high2 Ų232.7 Ų32.71%0.01116%0.155CC..  trans-75.565.2174.7-17425.2000109.9R31 H54 Q55 Y102R31-D104 IonicContact NH1-OD1 2.93Å; R31-D104 PolarHBondContact NH1-OD1 3.01Å; H54-D104 WeakPolarHBondContact CB-O 3.42Å; H54-D104 PolarHBondContact ND1-O 3.09Å; Q55-D104 HydrophobicContact CB-CB 4.45Å; Q55-D104 PolarHBondContact O-N 2.84Å; Y102-D104 HydrophobicContact CE1-CB 3.86Å
105Y97.4Very high97.7Very high0 Ų030.7 Ų30.70%015%0.146CC..  trans-61.6160.2-166.761.4-97.5000112.9R31 L72 H73 F103 L107 T116 L147R31-Y105 PolarHBondContact NH1-O 3.35Å; R31-Y105 PolarHBondContact NH2-O 3.42Å; L72-Y105 HydrophobicContact CD2-CD1 4.33Å; H73-Y105 AromaticContact CD2-CE1 3.38Å; H73-Y105 WeakPolarHBondContact CD2-CE1 3.23Å; H73-Y105 AromaticContact CE1-CE1 3.86Å; H73-Y105 AromaticContact CE1-CZ 3.73Å; H73-Y105 PolarHBondContact CE1-OH 3.35Å; H73-Y105 AromaticContact CG-CE1 3.93Å; H73-Y105 AromaticContact NE2-CE1 3.39Å; H73-Y105 WeakPolarHBondContact NE2-CE1 3.34Å; H73-Y105 AromaticContact NE2-CZ 3.7Å; H73-Y105 PolarHBondContact O-OH 2.9Å; F103-Y105 WeakPolarHBondContact O-CD1 3.34Å; F103-Y105 PolarHBondContact O-N 3.32Å; Y105-L107 HydrophobicContact CD2-CD2 4.01Å; Y105-L107 HydrophobicContact CE2-CD2 3.38Å; Y105-T116 HydrophobicContact CD2-CG2 3.71Å; Y105-T116 HydrophobicContact CE2-CG2 4.44Å; Y105-T116 HydrophobicContact CG-CG2 4.47Å; Y105-L147 HydrophobicContact CD1-CD2 3.89Å; Y105-L147 HydrophobicContact CD2-CD2 3.82Å; Y105-L147 HydrophobicContact CE1-CD2 4.09Å; Y105-L147 HydrophobicContact CE2-CD2 4.04Å; Y105-L147 HydrophobicContact CG-CD2 3.79Å
106P97Very high97.8Very high0 Ų023.8 Ų23.80%012%0.12CC..  trans-59.9141.6175.9-16.627000111.7N111 K115 T116 L119P106-N111 HydrophobicContact CB-CB 3.47Å; P106-N111 VanDerWaalsContact CB-CB 3.47Å; P106-K115 HydrophobicContact CG-CG 4.46Å; P106-T116 WeakPolarHBondContact O-CG2 3.43Å; P106-T116 PolarHBondContact O-OG1 2.91Å; P106-T116 VanDerWaalsContact O-OG1 3.09Å; P106-L119 HydrophobicContact CG-CB 4.12Å; P106-L119 HydrophobicContact CG-CD1 3.54Å; P106-L119 HydrophobicContact CG-CG 4.4Å
107L97.7Very high97.8Very high0 Ų023.4 Ų23.40%012%0.119CC..  trans-126.4150.3-170.5-65.3172.3000107.2R31 Y77 E80 Y105 E110 N111R31-L107 VanDerWaalsContact CZ-CD1 3.46Å; Y77-L107 VanDerWaalsContact C-CD2 3.46Å; Y77-L107 CarbonylContact O-C 3.56Å; Y77-L107 WeakPolarHBondContact O-CA 3.23Å; Y77-L107 WeakPolarHBondContact O-CB 3.25Å; Y77-L107 WeakPolarHBondContact O-CD2 3.46Å; E80-L107 HydrophobicContact CG-CD1 4.3Å; Y105-L107 HydrophobicContact CD2-CD2 4.01Å; Y105-L107 HydrophobicContact CE2-CD2 3.38Å; L107-E110 PolarHBondContact O-N 2.94Å; L107-N111 CarbonylContact C-O 3.46Å; L107-N111 PolarHBondContact O-N 3.14Å; L107-N111 PolarHBondContact O-ND2 2.96Å
108A98.1Very high97.7Very high2 Ų223.8 Ų23.82%0.01712%0.124CC..THydrogen-bonded Turntrans-75.2153.5172.500000111.2Y77 A78 N111 N204Y77-A108 PolarHBondContact O-N 3.35Å; A78-A108 WeakPolarHBondContact CA-O 3.41Å; A108-N111 WeakPolarHBondContact CA-O 3.32Å; A108-N111 PolarHBondContact N-O 3.42Å; A108-N204 HydrophobicContact CB-CB 4.31Å
109P95.7Very high97.7Very high66 Ų6624.8 Ų24.843%0.42913%0.129SC..THydrogen-bonded Turncis-84.3-3.4-3.134.8-35.8000113.5N111 N204P109-N111 PolarHBondContact O-N 2.76Å; P109-N204 HydrophobicContact CB-CB 4.45Å
110E95.3Very high97.7Very high116 Ų11624.1 Ų24.154%0.54213%0.126SC..THydrogen-bonded Turntrans-66.4-24-177.2-59.794.4157.200113.2L107L107-E110 PolarHBondContact O-N 2.94Å
111N97.4Very high97.7Very high26 Ų2625.3 Ų25.314%0.13913%0.132CC..SBendtrans-142.1147175.2-49.4-100.1000109.6P106 L107 A108 P109 K115P106-N111 HydrophobicContact CB-CB 3.47Å; P106-N111 VanDerWaalsContact CB-CB 3.47Å; L107-N111 CarbonylContact C-O 3.46Å; L107-N111 PolarHBondContact O-N 3.14Å; L107-N111 PolarHBondContact O-ND2 2.96Å; A108-N111 WeakPolarHBondContact CA-O 3.32Å; A108-N111 PolarHBondContact N-O 3.42Å; P109-N111 PolarHBondContact O-N 2.76Å; N111-K115 HydrophobicContact CB-CB 4.48Å; N111-K115 HydrophobicContact CB-CD 4.44Å; N111-K115 VanDerWaalsContact OD1-CD 3.27Å; N111-K115 WeakPolarHBondContact OD1-CD 3.43Å; N111-K115 WeakPolarHBondContact OD1-CE 3.04Å; N111-K115 PolarHBondContact OD1-NZ 2.85Å
112T98.5Very high97.6Very high34 Ų3429.2 Ų29.221%0.20915%0.152CC..  trans-108.8-179.3-177.762.70000110.7E114 K115 T116 Y205T112-E114 PolarHBondContact O-N 3.13Å; T112-K115 PolarHBondContact O-N 3.27Å; T112-K115 VanDerWaalsContact O-N 3.11Å; T112-T116 WeakPolarHBondContact O-CB 3.21Å; T112-T116 PolarHBondContact O-N 2.86Å; T112-T116 PolarHBondContact O-OG1 3.27Å; T112-Y205 CarbonylContact C-O 3.34Å; T112-Y205 VanDerWaalsContact CA-O 3.24Å; T112-Y205 WeakPolarHBondContact CA-O 3.5Å; T112-Y205 VanDerWaalsContact CB-O 3.3Å; T112-Y205 WeakPolarHBondContact CB-O 3.4Å
113A98.7Very high97.6Very high0 Ų029.1 Ų29.10%015%0.152CC..Hα-helixtrans-54.6-36.6175.700000112.6K115 T116 V117 Y205 L209 M215 V216A113-K115 PolarHBondContact O-N 3.33Å; A113-T116 PolarHBondContact O-N 3.04Å; A113-V117 PolarHBondContact O-N 2.64Å; A113-Y205 HydrophobicContact CB-CD1 4.25Å; A113-Y205 HydrophobicContact CB-CE1 3.72Å; A113-Y205 HydrophobicContact CB-CE2 4.04Å; A113-Y205 PolarHBondContact N-O 2.84Å; A113-L209 HydrophobicContact CB-CD1 4.16Å; A113-M215 HydrophobicContact CB-CB 4.43Å; A113-M215 WeakPolarHBondContact O-CE 3.13Å; A113-V216 HydrophobicContact CB-CG2 3.77Å
114E97.9Very high97.7Very high101 Ų10129.1 Ų29.147%0.47215%0.152SC..Hα-helixtrans-59.2-28.2178.4-69.5-173.1103.700113.4T112 P118 L209T112-E114 PolarHBondContact O-N 3.13Å; E114-P118 WeakPolarHBondContact O-CD 3.47Å; E114-P118 WeakPolarHBondContact O-CG 3.45Å; E114-L209 HydrophobicContact CG-CD1 3.6Å; E114-L209 HydrophobicContact CG-CD2 4.03Å; E114-L209 HydrophobicContact CG-CG 3.63Å
115K98.2Very high97.7Very high79 Ų7934.5 Ų34.534%0.34317%0.172SC..Hα-helixtrans-100.6-38.3174.7-179.2165.9172.8-172.80112.4D52 P106 N111 T112 A113 L119D52-K115 WeakPolarHBondContact OD2-CE 3.37Å; D52-K115 IonicContact OD2-NZ 3.9Å; D52-K115 PolarHBondContact OD2-NZ 3Å; P106-K115 HydrophobicContact CG-CG 4.46Å; N111-K115 HydrophobicContact CB-CB 4.48Å; N111-K115 HydrophobicContact CB-CD 4.44Å; N111-K115 VanDerWaalsContact OD1-CD 3.27Å; N111-K115 WeakPolarHBondContact OD1-CD 3.43Å; N111-K115 WeakPolarHBondContact OD1-CE 3.04Å; N111-K115 PolarHBondContact OD1-NZ 2.85Å; T112-K115 PolarHBondContact O-N 3.27Å; T112-K115 VanDerWaalsContact O-N 3.11Å; A113-K115 PolarHBondContact O-N 3.33Å; K115-L119 HydrophobicContact CD-CD1 4.3Å; K115-L119 HydrophobicContact CG-CD1 3.8Å; K115-L119 HydrophobicContact CG-CG 4.29Å; K115-L119 WeakPolarHBondContact O-CB 3.26Å; K115-L119 WeakPolarHBondContact O-CG 3.36Å; K115-L119 PolarHBondContact O-N 3.33Å; K115-L119 VanDerWaalsContact O-N 3.12Å
116T98.7Very high97.7Very high0 Ų037.2 Ų37.20%019%0.185CC..Hα-helixtrans-63.9-48-175.3-58.10000112.1Y105 P106 T112 A113 T120 L147 Y205Y105-T116 HydrophobicContact CD2-CG2 3.71Å; Y105-T116 HydrophobicContact CE2-CG2 4.44Å; Y105-T116 HydrophobicContact CG-CG2 4.47Å; P106-T116 WeakPolarHBondContact O-CG2 3.43Å; P106-T116 PolarHBondContact O-OG1 2.91Å; P106-T116 VanDerWaalsContact O-OG1 3.09Å; T112-T116 WeakPolarHBondContact O-CB 3.21Å; T112-T116 PolarHBondContact O-N 2.86Å; T112-T116 PolarHBondContact O-OG1 3.27Å; A113-T116 PolarHBondContact O-N 3.04Å; T116-T120 WeakPolarHBondContact O-CB 3.21Å; T116-T120 PolarHBondContact O-N 2.98Å; T116-T120 PolarHBondContact O-OG1 3.24Å; T116-L147 HydrophobicContact CG2-CD1 4.17Å; T116-L147 HydrophobicContact CG2-CD2 4.16Å; T116-Y205 HydrophobicContact CG2-CE2 3.99Å
117V98.5Very high97.8Very high2 Ų237.2 Ų37.21%0.01219%0.185CC..Hα-helixtrans-67-48.9-177.6175.30000111.2A113 L119 T120 E121 L147 M215A113-V117 PolarHBondContact O-N 2.64Å; V117-L119 PolarHBondContact O-N 3.26Å; V117-T120 PolarHBondContact O-N 3.41Å; V117-E121 PolarHBondContact O-N 3.04Å; V117-L147 HydrophobicContact CG2-CD1 3.82Å; V117-M215 HydrophobicContact CB-CE 3.76Å; V117-M215 HydrophobicContact CG1-CE 4.16Å; V117-M215 HydrophobicContact CG1-CG 4.49Å; V117-M215 HydrophobicContact CG2-CB 4.21Å; V117-M215 HydrophobicContact CG2-CE 4.32Å
118P97.6Very high97.7Very high56 Ų5637.7 Ų37.736%0.36419%0.189SC..Hα-helixtrans-63.5-37177.7-27.739.5000114.4E114 T120 E121 L122 M215E114-P118 WeakPolarHBondContact O-CD 3.47Å; E114-P118 WeakPolarHBondContact O-CG 3.45Å; P118-T120 VanDerWaalsContact C-N 3.33Å; P118-E121 WeakPolarHBondContact O-CB 3.46Å; P118-E121 PolarHBondContact O-N 2.79Å; P118-L122 PolarHBondContact O-N 3.03Å; P118-M215 HydrophobicContact CG-CE 4.25Å
119L98.5Very high97.6Very high20 Ų2046.8 Ų46.811%0.10522%0.224CC..Hα-helixtrans-69.5-32.9175.2-73.2-176.3000112.3I51 D52 F103 P106 K115 V117 L122 A123I51-L119 HydrophobicContact CG2-CD2 4.25Å; D52-L119 HydrophobicContact CB-CD1 3.8Å; D52-L119 HydrophobicContact CB-CD2 3.81Å; F103-L119 HydrophobicContact CE1-CB 4.33Å; F103-L119 WeakPolarHBondContact CE1-O 3.22Å; F103-L119 HydrophobicContact CZ-CB 4.26Å; P106-L119 HydrophobicContact CG-CB 4.12Å; P106-L119 HydrophobicContact CG-CD1 3.54Å; P106-L119 HydrophobicContact CG-CG 4.4Å; K115-L119 HydrophobicContact CD-CD1 4.3Å; K115-L119 HydrophobicContact CG-CD1 3.8Å; K115-L119 HydrophobicContact CG-CG 4.29Å; K115-L119 WeakPolarHBondContact O-CB 3.26Å; K115-L119 WeakPolarHBondContact O-CG 3.36Å; K115-L119 PolarHBondContact O-N 3.33Å; K115-L119 VanDerWaalsContact O-N 3.12Å; V117-L119 PolarHBondContact O-N 3.26Å; L119-L122 HydrophobicContact CD2-CD2 4.24Å; L119-L122 PolarHBondContact O-N 2.58Å; L119-A123 PolarHBondContact O-N 2.86Å
120T98.7Very high97.6Very high0 Ų047.7 Ų47.70%023%0.225CC..Hα-helixtrans-68.4-37.3173.1-55.50000111.4F70 L72 F103 T116 V117 P118 A123 F124 L147 L151F70-T120 HydrophobicContact CE1-CG2 3.84Å; F70-T120 HydrophobicContact CZ-CG2 4.02Å; L72-T120 HydrophobicContact CD1-CG2 4.22Å; L72-T120 HydrophobicContact CD2-CG2 3.75Å; F103-T120 HydrophobicContact CD1-CG2 4.42Å; T116-T120 WeakPolarHBondContact O-CB 3.21Å; T116-T120 PolarHBondContact O-N 2.98Å; T116-T120 PolarHBondContact O-OG1 3.24Å; V117-T120 PolarHBondContact O-N 3.41Å; P118-T120 VanDerWaalsContact C-N 3.33Å; T120-A123 PolarHBondContact O-N 3.08Å; T120-F124 PolarHBondContact O-N 3.13Å; T120-L147 HydrophobicContact CG2-CD1 4.48Å; T120-L147 HydrophobicContact CG2-CD2 4.18Å; T120-L147 HydrophobicContact CG2-CG 4.29Å; T120-L151 HydrophobicContact CG2-CD1 4.38Å; T120-L151 HydrophobicContact CG2-CD2 3.97Å
121E97.7Very high97.7Very high25 Ų2543.6 Ų43.612%0.11721%0.205CC..Hα-helixtrans-61.3-47169.7-173.1-151.3141.300111.2V117 P118 A123 F124 R125 L151 H154 L155 I158V117-E121 PolarHBondContact O-N 3.04Å; P118-E121 WeakPolarHBondContact O-CB 3.46Å; P118-E121 PolarHBondContact O-N 2.79Å; E121-A123 VanDerWaalsContact C-N 3.28Å; E121-A123 PolarHBondContact O-N 3.23Å; E121-F124 WeakPolarHBondContact O-CB 3.47Å; E121-F124 PolarHBondContact O-N 3.27Å; E121-F124 VanDerWaalsContact O-N 3.09Å; E121-R125 HydrophobicContact CG-CG 4.44Å; E121-R125 WeakPolarHBondContact O-CG 3.46Å; E121-R125 PolarHBondContact O-N 2.8Å; E121-R125 VanDerWaalsContact OE1-CD 3.26Å; E121-R125 WeakPolarHBondContact OE1-CD 3.5Å; E121-R125 IonicContact OE1-NH1 3.84Å; E121-R125 PolarHBondContact OE1-NH1 2.89Å; E121-R125 VanDerWaalsContact OE1-NH1 3.15Å; E121-L151 HydrophobicContact CB-CD1 4.05Å; E121-H154 IonicContact OE2-CD2 2.79Å; E121-H154 PolarHBondContact OE2-CD2 3.2Å; E121-H154 IonicContact OE2-NE2 3.26Å; E121-H154 PolarHBondContact OE2-NE2 3.09Å; E121-L155 HydrophobicContact CG-CD2 3.77Å; E121-I158 HydrophobicContact CG-CD1 4.2Å; E121-I158 WeakPolarHBondContact OE1-CD1 3.2Å
122L97.4Very high97.7Very high82 Ų8246 Ų4643%0.42922%0.222SC..Hα-helixtrans-59.3-40.6178.2-176.358.2000111.5I51 P118 L119 R125 Q126I51-L122 HydrophobicContact CG2-CB 4.33Å; I51-L122 HydrophobicContact CG2-CD2 3.58Å; I51-L122 HydrophobicContact CG2-CG 3.88Å; P118-L122 PolarHBondContact O-N 3.03Å; L119-L122 HydrophobicContact CD2-CD2 4.24Å; L119-L122 PolarHBondContact O-N 2.58Å; L122-R125 PolarHBondContact O-N 3.1Å; L122-Q126 WeakPolarHBondContact O-CB 3.43Å; L122-Q126 PolarHBondContact O-N 3.5Å
123A98.4Very high97.6Very high0 Ų049.1 Ų49.10%024%0.237CC..Hα-helixtrans-59.4-47.9172.100000112.4I51 L56 F70 F103 L119 T120 E121 R125 Q126 L127I51-A123 HydrophobicContact CD1-CB 3.63Å; L56-A123 HydrophobicContact CD2-CB 4.48Å; F70-A123 HydrophobicContact CZ-CB 3.88Å; F103-A123 HydrophobicContact CB-CB 4.34Å; F103-A123 HydrophobicContact CD1-CB 3.77Å; F103-A123 HydrophobicContact CD2-CB 3.91Å; F103-A123 HydrophobicContact CE1-CB 3.98Å; F103-A123 HydrophobicContact CE2-CB 4.11Å; F103-A123 HydrophobicContact CG-CB 3.76Å; F103-A123 HydrophobicContact CZ-CB 4.14Å; L119-A123 PolarHBondContact O-N 2.86Å; T120-A123 PolarHBondContact O-N 3.08Å; E121-A123 VanDerWaalsContact C-N 3.28Å; E121-A123 PolarHBondContact O-N 3.23Å; A123-R125 VanDerWaalsContact C-N 3.35Å; A123-R125 PolarHBondContact O-N 2.71Å; A123-Q126 PolarHBondContact O-N 2.87Å; A123-L127 WeakPolarHBondContact O-CG 3.34Å; A123-L127 PolarHBondContact O-N 2.89Å
124F98.4Very high97.6Very high1 Ų149.5 Ų49.50%0.00424%0.239CC..Hα-helixtrans-60.2-43.4175.6-177.6-95.7000112.4F70 T120 E121 Q126 L127 A128 F136 L155 P164F70-F124 HydrophobicContact CD1-CB 4.2Å; F70-F124 AromaticContact CD1-CD2 3.87Å; F70-F124 HydrophobicContact CD1-CD2 3.87Å; F70-F124 HydrophobicContact CE1-CB 3.98Å; F70-F124 HydrophobicContact CE1-CD2 4.5Å; T120-F124 PolarHBondContact O-N 3.13Å; E121-F124 WeakPolarHBondContact O-CB 3.47Å; E121-F124 PolarHBondContact O-N 3.27Å; E121-F124 VanDerWaalsContact O-N 3.09Å; F124-Q126 VanDerWaalsContact C-N 3.34Å; F124-Q126 PolarHBondContact O-N 2.8Å; F124-L127 WeakPolarHBondContact O-CB 3.06Å; F124-L127 PolarHBondContact O-N 3.39Å; F124-A128 PolarHBondContact O-N 3.07Å; F124-F136 HydrophobicContact CE2-CB 3.76Å; F124-F136 HydrophobicContact CE2-CD1 4.08Å; F124-F136 AromaticContact CE2-CG 3.92Å; F124-F136 HydrophobicContact CE2-CG 3.92Å; F124-F136 HydrophobicContact CZ-CB 3.98Å; F124-F136 HydrophobicContact CZ-CD2 4.43Å; F124-F136 HydrophobicContact CZ-CG 4.1Å; F124-L155 HydrophobicContact CD1-CD1 3.6Å; F124-L155 HydrophobicContact CD1-CD2 3.73Å; F124-L155 HydrophobicContact CD1-CG 4.37Å; F124-L155 HydrophobicContact CD2-CD1 4.36Å; F124-L155 HydrophobicContact CE1-CD1 3.76Å; F124-L155 HydrophobicContact CE1-CD2 4.25Å; F124-L155 HydrophobicContact CE2-CD1 4.48Å; F124-L155 HydrophobicContact CG-CD1 3.93Å; F124-L155 HydrophobicContact CG-CD2 4.47Å; F124-L155 HydrophobicContact CZ-CD1 4.21Å; F124-P164 HydrophobicContact CE2-CG 3.82Å; F124-P164 HydrophobicContact CZ-CG 3.94Å
125R96.5Very high97.6Very high115 Ų11547 Ų4743%0.43423%0.233SC..Hα-helixtrans-62.5-41.5178-71.1173.972.1125.85.6112.1E121 L122 A123 L127 A128 Y129 L160E121-R125 HydrophobicContact CG-CG 4.44Å; E121-R125 WeakPolarHBondContact O-CG 3.46Å; E121-R125 PolarHBondContact O-N 2.8Å; E121-R125 VanDerWaalsContact OE1-CD 3.26Å; E121-R125 WeakPolarHBondContact OE1-CD 3.5Å; E121-R125 IonicContact OE1-NH1 3.84Å; E121-R125 PolarHBondContact OE1-NH1 2.89Å; E121-R125 VanDerWaalsContact OE1-NH1 3.15Å; L122-R125 PolarHBondContact O-N 3.1Å; A123-R125 VanDerWaalsContact C-N 3.35Å; A123-R125 PolarHBondContact O-N 2.71Å; R125-L127 VanDerWaalsContact C-N 3.34Å; R125-A128 PolarHBondContact O-N 3.23Å; R125-Y129 WeakPolarHBondContact O-CB 3.4Å; R125-Y129 PolarHBondContact O-N 2.93Å; R125-L160 HydrophobicContact CG-CD2 4.07Å
126Q97Very high97.6Very high56 Ų5643.4 Ų43.426%0.26222%0.217SC..Hα-helixtrans-62.8-42.1175.4-178169.7-38.700111.3A49 I51 L122 A123 F124 Y129 L130A49-Q126 VanDerWaalsContact CB-NE2 3.29Å; I51-Q126 HydrophobicContact CD1-CB 4.29Å; L122-Q126 WeakPolarHBondContact O-CB 3.43Å; L122-Q126 PolarHBondContact O-N 3.5Å; A123-Q126 PolarHBondContact O-N 2.87Å; F124-Q126 VanDerWaalsContact C-N 3.34Å; F124-Q126 PolarHBondContact O-N 2.8Å; Q126-Y129 PolarHBondContact O-N 2.99Å; Q126-L130 HydrophobicContact CG-CD1 3.88Å; Q126-L130 HydrophobicContact CG-CG 4.36Å; Q126-L130 WeakPolarHBondContact O-CB 3.47Å; Q126-L130 VanDerWaalsContact O-CG 3.25Å; Q126-L130 WeakPolarHBondContact O-CG 3.42Å; Q126-L130 PolarHBondContact O-N 2.81Å
127L98Very high97.6Very high0 Ų043.8 Ų43.80%022%0.218CC..Hα-helixtrans-61.4-46.8173.6-65.6175.2000111.8L56 F70 S101 A123 F124 R125 Y129 L130 Y131 F136L56-L127 HydrophobicContact CD1-CD1 4.23Å; L56-L127 HydrophobicContact CD1-CD2 4.14Å; L56-L127 HydrophobicContact CD1-CG 4.3Å; L56-L127 HydrophobicContact CD2-CD2 3.79Å; L56-L127 HydrophobicContact CD2-CG 3.99Å; L56-L127 HydrophobicContact CG-CD2 4.19Å; F70-L127 HydrophobicContact CB-CD1 4.34Å; F70-L127 HydrophobicContact CD2-CD1 3.74Å; F70-L127 HydrophobicContact CE2-CD1 4.16Å; F70-L127 HydrophobicContact CG-CD1 4.03Å; S101-L127 VanDerWaalsContact CB-CD1 3.49Å; S101-L127 WeakPolarHBondContact OG-CD2 3.31Å; A123-L127 WeakPolarHBondContact O-CG 3.34Å; A123-L127 PolarHBondContact O-N 2.89Å; F124-L127 WeakPolarHBondContact O-CB 3.06Å; F124-L127 PolarHBondContact O-N 3.39Å; R125-L127 VanDerWaalsContact C-N 3.34Å; L127-Y129 VanDerWaalsContact C-N 3.26Å; L127-Y129 PolarHBondContact O-N 2.95Å; L127-L130 PolarHBondContact O-N 3.44Å; L127-Y131 HydrophobicContact CD2-CD2 4.39Å; L127-Y131 HydrophobicContact CD2-CE2 3.97Å; L127-Y131 WeakPolarHBondContact O-CD2 3.48Å; L127-Y131 PolarHBondContact O-N 3.16Å; L127-F136 HydrophobicContact CB-CE1 3.79Å; L127-F136 HydrophobicContact CB-CZ 4.24Å; L127-F136 WeakPolarHBondContact O-CZ 3.38Å
128A96.8Very high97.7Very high11 Ų1143.7 Ų43.79%0.09122%0.218CC..Hα-helixtrans-61.9-34178.500000112.8F124 R125 P132 F136 K162F124-A128 PolarHBondContact O-N 3.07Å; R125-A128 PolarHBondContact O-N 3.23Å; A128-P132 WeakPolarHBondContact O-CA 3.45Å; A128-F136 HydrophobicContact CB-CE2 4.15Å; A128-F136 HydrophobicContact CB-CZ 4.38Å; A128-K162 HydrophobicContact CB-CB 4.13Å; A128-K162 HydrophobicContact CB-CG 4.48Å
129Y95.8Very high97.7Very high192 Ų19241 Ų4175%0.75320%0.201SC*.Hα-helixtrans-72-43.9173.9177.2-99.6000112.6R125 Q126 L127R125-Y129 WeakPolarHBondContact O-CB 3.4Å; R125-Y129 PolarHBondContact O-N 2.93Å; Q126-Y129 PolarHBondContact O-N 2.99Å; L127-Y129 VanDerWaalsContact C-N 3.26Å; L127-Y129 PolarHBondContact O-N 2.95Å
130L96.4Very high97.7Very high86 Ų8640.1 Ų40.145%0.4520%0.196SC..Hα-helixtrans-72.1-28.9-178.9-71.6173.3000113.2Q126 L127Q126-L130 HydrophobicContact CG-CD1 3.88Å; Q126-L130 HydrophobicContact CG-CG 4.36Å; Q126-L130 WeakPolarHBondContact O-CB 3.47Å; Q126-L130 VanDerWaalsContact O-CG 3.25Å; Q126-L130 WeakPolarHBondContact O-CG 3.42Å; Q126-L130 PolarHBondContact O-N 2.81Å; L127-L130 PolarHBondContact O-N 3.44Å
131Y96.9Very high97.7Very high30 Ų3040.1 Ų40.112%0.11820%0.196CC..  trans-128.867.5-178.6-45.5-72.7000111.1T58 F60 H68 L127 D133 D134T58-Y131 HydrophobicContact CG2-CE2 4.31Å; F60-Y131 AromaticContact CE1-CE1 4Å; F60-Y131 HydrophobicContact CE1-CE1 4Å; F60-Y131 HydrophobicContact CZ-CE1 4.14Å; F60-Y131 AromaticContact CZ-CZ 3.99Å; F60-Y131 VanDerWaalsContact CZ-OH 3.32Å; F60-Y131 WeakPolarHBondContact CZ-OH 3.49Å; H68-Y131 AromaticContact CE1-CD2 3.5Å; H68-Y131 VanDerWaalsContact CE1-CD2 3.5Å; H68-Y131 WeakPolarHBondContact CE1-CD2 3.44Å; H68-Y131 AromaticContact CE1-CE2 3.73Å; H68-Y131 AromaticContact ND1-CD2 3.79Å; L127-Y131 HydrophobicContact CD2-CD2 4.39Å; L127-Y131 HydrophobicContact CD2-CE2 3.97Å; L127-Y131 WeakPolarHBondContact O-CD2 3.48Å; L127-Y131 PolarHBondContact O-N 3.16Å; Y131-D133 PolarHBondContact O-N 3.41Å; Y131-D134 VanDerWaalsContact CB-CG 3.43Å; Y131-D134 WeakPolarHBondContact CB-OD2 3.26Å; Y131-D134 WeakPolarHBondContact O-CB 3.35Å; Y131-D134 PolarHBondContact O-N 2.92Å
132P96.5Very high97.8Very high77 Ų7739 Ų3950%0.519%0.191SC..THydrogen-bonded Turntrans-65-24.1-173.227.1-35.8000113.3A128 D134 K162A128-P132 WeakPolarHBondContact O-CA 3.45Å; P132-D134 VanDerWaalsContact C-N 3.34Å; P132-K162 WeakPolarHBondContact O-CE 3.5Å; P132-K162 PolarHBondContact O-NZ 3.2Å
133D97.1Very high97.9Very high99 Ų9935 Ų3553%0.52917%0.17SC..THydrogen-bonded Turntrans-83.4-9.1177.8-73.3-23.3000113.7R66 Y131R66-D133 IonicContact CZ-OD2 3.63Å; R66-D133 IonicContact NH2-OD2 3.73Å; R66-D133 PolarHBondContact NH2-OD2 3.11Å; Y131-D133 PolarHBondContact O-N 3.41Å
134D98.1Very high97.9Very high7 Ų735 Ų354%0.03717%0.17CC..PPolyproline II helixtrans-74.1150.2-177-75.32.1000111.9R66 H68 K99 Y131 P132 F136 K162R66-D134 WeakPolarHBondContact CA-OD1 3.49Å; R66-D134 CarbonylContact O-C 3.52Å; R66-D134 VanDerWaalsContact O-CA 3.29Å; R66-D134 WeakPolarHBondContact O-CA 3.38Å; H68-D134 HydrophobicContact CB-CB 4.03Å; H68-D134 WeakPolarHBondContact CB-OD2 3.23Å; H68-D134 IonicContact CE1-OD2 3.4Å; H68-D134 IonicContact CG-OD2 2.67Å; H68-D134 IonicContact ND1-OD2 3.72Å; H68-D134 PolarHBondContact ND1-OD2 2.92Å; K99-D134 VanDerWaalsContact NZ-CG 3.25Å; K99-D134 IonicContact NZ-OD1 3.45Å; K99-D134 PolarHBondContact NZ-OD1 2.82Å; K99-D134 IonicContact NZ-OD2 2.97Å; K99-D134 PolarHBondContact NZ-OD2 2.78Å; Y131-D134 VanDerWaalsContact CB-CG 3.43Å; Y131-D134 WeakPolarHBondContact CB-OD2 3.26Å; Y131-D134 WeakPolarHBondContact O-CB 3.35Å; Y131-D134 PolarHBondContact O-N 2.92Å; P132-D134 VanDerWaalsContact C-N 3.34Å; D134-F136 HydrophobicContact CB-CD2 4.34Å; D134-F136 HydrophobicContact CB-CE1 4.39Å; D134-F136 HydrophobicContact CB-CE2 3.81Å; D134-F136 HydrophobicContact CB-CZ 3.83Å; D134-K162 PolarHBondContact O-NZ 3.27Å
135C98.3Very high97.9Very high50 Ų5035 Ų3534%0.33817%0.17SC..EExtended strand (participates in β ladder)trans-96.3120.1160.4-169.90000107.8R66 H68 F137R66-C135 PolarHBondContact O-N 2.85Å; H68-C135 PolarHBondContact N-O 3.31Å; C135-F137 HydrophobicContact CB-CZ 4.37Å
136F98.7Very high98Very high2 Ų229.5 Ų29.51%0.00915%0.149CC..EExtended strand (participates in β ladder)trans-95.2146.2-175-69.8-84.9000112.2H68 F124 L127 A128 D134 K162 P164 K165H68-F136 HydrophobicContact CB-CD1 3.86Å; H68-F136 HydrophobicContact CB-CE1 3.99Å; H68-F136 AromaticContact CE1-CE1 3.78Å; H68-F136 AromaticContact CG-CD1 3.78Å; H68-F136 AromaticContact CG-CE1 3.57Å; H68-F136 AromaticContact ND1-CD1 3.93Å; H68-F136 AromaticContact ND1-CE1 3.22Å; H68-F136 WeakPolarHBondContact ND1-CE1 2.99Å; H68-F136 AromaticContact ND1-CZ 3.92Å; H68-F136 CarbonylContact O-C 3.5Å; H68-F136 WeakPolarHBondContact O-CA 3.46Å; F124-F136 HydrophobicContact CE2-CB 3.76Å; F124-F136 HydrophobicContact CE2-CD1 4.08Å; F124-F136 AromaticContact CE2-CG 3.92Å; F124-F136 HydrophobicContact CE2-CG 3.92Å; F124-F136 HydrophobicContact CZ-CB 3.98Å; F124-F136 HydrophobicContact CZ-CD2 4.43Å; F124-F136 HydrophobicContact CZ-CG 4.1Å; L127-F136 HydrophobicContact CB-CE1 3.79Å; L127-F136 HydrophobicContact CB-CZ 4.24Å; L127-F136 WeakPolarHBondContact O-CZ 3.38Å; A128-F136 HydrophobicContact CB-CE2 4.15Å; A128-F136 HydrophobicContact CB-CZ 4.38Å; D134-F136 HydrophobicContact CB-CD2 4.34Å; D134-F136 HydrophobicContact CB-CE1 4.39Å; D134-F136 HydrophobicContact CB-CE2 3.81Å; D134-F136 HydrophobicContact CB-CZ 3.83Å; F136-K162 HydrophobicContact CD2-CB 4.19Å; F136-K162 HydrophobicContact CD2-CG 4.48Å; F136-K162 HydrophobicContact CE2-CB 4.46Å; F136-K162 HydrophobicContact CE2-CG 4.42Å; F136-P164 CarbonylContact O-C 3.54Å; F136-P164 VanDerWaalsContact O-CA 3.25Å; F136-P164 WeakPolarHBondContact O-CA 3.35Å; F136-K165 PolarHBondContact O-N 3.34Å
137F98.9Very high98.1Very high8 Ų826.9 Ų26.94%0.03514%0.137CC..EExtended strand (participates in β ladder)trans-133.8157.4176.2-47.6-53.6000109.7R67 H68 V69 F70 C135 K165 K166 Y289R67-F137 HydrophobicContact CB-CE2 3.83Å; R67-F137 HydrophobicContact CG-CE2 4.03Å; R67-F137 HydrophobicContact CG-CZ 4.36Å; H68-F137 PolarHBondContact O-N 3.02Å; V69-F137 HydrophobicContact CG2-CB 4.36Å; V69-F137 HydrophobicContact CG2-CD2 4.19Å; F70-F137 PolarHBondContact N-O 2.99Å; C135-F137 HydrophobicContact CB-CZ 4.37Å; F137-K165 HydrophobicContact CD1-CB 4.43Å; F137-K165 HydrophobicContact CE1-CB 4.27Å; F137-K166 CarbonylContact C-O 3.58Å; F137-K166 VanDerWaalsContact CA-O 3.23Å; F137-K166 WeakPolarHBondContact CA-O 3.47Å; F137-K166 WeakPolarHBondContact CB-O 3.18Å; F137-K166 HydrophobicContact CD1-CB 3.63Å; F137-K166 HydrophobicContact CD1-CD 4.45Å; F137-K166 HydrophobicContact CD1-CG 4.06Å; F137-K166 HydrophobicContact CE1-CB 4.14Å; F137-K166 HydrophobicContact CE1-CD 4.16Å; F137-K166 HydrophobicContact CE1-CG 4.04Å; F137-K166 HydrophobicContact CG-CB 4.36Å; F137-Y289 HydrophobicContact CB-CD1 3.53Å; F137-Y289 HydrophobicContact CB-CE1 3.49Å; F137-Y289 VanDerWaalsContact CB-CE1 3.49Å; F137-Y289 HydrophobicContact CB-CG 4.41Å; F137-Y289 HydrophobicContact CD1-CD1 4.18Å; F137-Y289 AromaticContact CD2-CD1 3.64Å; F137-Y289 HydrophobicContact CD2-CD1 3.64Å; F137-Y289 HydrophobicContact CD2-CE1 4.46Å; F137-Y289 AromaticContact CD2-CG 3.89Å; F137-Y289 HydrophobicContact CD2-CG 3.89Å; F137-Y289 HydrophobicContact CE2-CD1 4.35Å; F137-Y289 HydrophobicContact CE2-CG 4.43Å; F137-Y289 WeakPolarHBondContact CE2-O 3.47Å; F137-Y289 AromaticContact CG-CD1 3.52Å; F137-Y289 HydrophobicContact CG-CD1 3.52Å; F137-Y289 HydrophobicContact CG-CE1 4.04Å; F137-Y289 HydrophobicContact CG-CG 4.25Å; F137-Y289 WeakPolarHBondContact CZ-O 3.32Å
138L98.9Very high98.2Very high0 Ų026.9 Ų26.90%014%0.137CC..EExtended strand (participates in β ladder)trans-110.8140.3170.7-63.8177.7000110.1F70 A148 L151 A152 P164 K166 I167 A168 Y289F70-L138 HydrophobicContact CB-CD2 3.95Å; F70-L138 HydrophobicContact CD1-CD2 3.79Å; F70-L138 HydrophobicContact CG-CD2 4.28Å; F70-L138 WeakPolarHBondContact O-CA 3.46Å; L138-A148 HydrophobicContact CB-CB 4.32Å; L138-A148 HydrophobicContact CD1-CB 4.23Å; L138-A148 VanDerWaalsContact CD1-O 3.32Å; L138-A148 WeakPolarHBondContact CD1-O 3.4Å; L138-L151 HydrophobicContact CD1-CD2 4.29Å; L138-L151 HydrophobicContact CD2-CD2 3.91Å; L138-A152 HydrophobicContact CD1-CB 4.03Å; L138-P164 HydrophobicContact CD1-CB 4.16Å; L138-P164 HydrophobicContact CD1-CG 3.81Å; L138-P164 HydrophobicContact CD2-CG 4.04Å; L138-P164 HydrophobicContact CG-CB 3.77Å; L138-P164 HydrophobicContact CG-CG 3.63Å; L138-K166 PolarHBondContact N-O 3.48Å; L138-I167 HydrophobicContact CB-CB 4.44Å; L138-I167 HydrophobicContact CB-CG1 4.22Å; L138-I167 HydrophobicContact CB-CG2 4.11Å; L138-I167 HydrophobicContact CD1-CD1 4.36Å; L138-I167 HydrophobicContact CD1-CG1 4.27Å; L138-I167 CarbonylContact O-C 3.55Å; L138-I167 WeakPolarHBondContact O-CA 3.44Å; L138-A168 PolarHBondContact O-N 3.37Å; L138-Y289 PolarHBondContact O-OH 3.12Å
139F98.9Very high98.3Very high1 Ų126.3 Ų26.30%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-118.3136.5158.8175.4-91.7000108.2V69 F70 Y71 L72 F92 D141 A168 A170 I285 Y289V69-F139 HydrophobicContact CG1-CB 3.75Å; F70-F139 PolarHBondContact O-N 3.06Å; Y71-F139 HydrophobicContact CD1-CD1 4.07Å; Y71-F139 HydrophobicContact CD2-CB 4.21Å; Y71-F139 AromaticContact CD2-CD1 3.5Å; Y71-F139 HydrophobicContact CD2-CD1 3.5Å; Y71-F139 HydrophobicContact CD2-CE1 4.22Å; Y71-F139 HydrophobicContact CD2-CG 4.07Å; Y71-F139 AromaticContact CE1-CD1 3.8Å; Y71-F139 HydrophobicContact CE1-CD1 3.8Å; Y71-F139 AromaticContact CE1-CE1 3.85Å; Y71-F139 HydrophobicContact CE1-CE1 3.85Å; Y71-F139 AromaticContact CE2-CD1 3.24Å; Y71-F139 HydrophobicContact CE2-CD1 3.24Å; Y71-F139 AromaticContact CE2-CE1 3.5Å; Y71-F139 HydrophobicContact CE2-CE1 3.5Å; Y71-F139 VanDerWaalsContact CE2-CE1 3.5Å; Y71-F139 HydrophobicContact CE2-CG 4.03Å; Y71-F139 HydrophobicContact CE2-CZ 4.41Å; Y71-F139 AromaticContact CG-CD1 3.91Å; Y71-F139 HydrophobicContact CG-CD1 3.91Å; Y71-F139 AromaticContact CZ-CD1 3.39Å; Y71-F139 AromaticContact CZ-CE1 3.25Å; Y71-F139 WeakPolarHBondContact OH-CE1 2.93Å; L72-F139 PolarHBondContact N-O 3.36Å; F92-F139 HydrophobicContact CE2-CB 4.49Å; F92-F139 HydrophobicContact CE2-CD2 4.21Å; F92-F139 HydrophobicContact CE2-CG 4.26Å; F92-F139 HydrophobicContact CZ-CD2 4.29Å; F139-D141 HydrophobicContact CE1-CB 4.09Å; F139-D141 HydrophobicContact CZ-CB 4.08Å; F139-A168 WeakPolarHBondContact CA-O 3.09Å; F139-A168 HydrophobicContact CD2-CB 4.28Å; F139-A170 HydrophobicContact CZ-CB 4.32Å; F139-I285 HydrophobicContact CD2-CG2 3.93Å; F139-I285 HydrophobicContact CE2-CD1 3.9Å; F139-I285 HydrophobicContact CE2-CG2 4.28Å; F139-Y289 WeakPolarHBondContact CA-OH 3.45Å; F139-Y289 WeakPolarHBondContact CB-OH 3.47Å
140G98.9Very high98.4Very high0 Ų017.4 Ų17.40%010%0.098CC..EExtended strand (participates in β ladder)trans-149.7134.4166.400000114.1L72 G145 A168 L169 A170L72-G140 WeakPolarHBondContact O-CA 3.48Å; G140-G145 WeakPolarHBondContact O-CA 3.19Å; G140-A168 PolarHBondContact N-O 3.24Å; G140-L169 VanDerWaalsContact O-CA 3.22Å; G140-L169 WeakPolarHBondContact O-CA 3.43Å; G140-A170 PolarHBondContact O-N 2.69Å
141D98.9Very high98.5Very high0 Ų013.3 Ų13.30%08%0.076CC..EExtended strand (participates in β ladder)trans-106.1144.6173.165.1-78.5000111.1L72 H73 G74 H85 F139 A143 G144 G145 A170 V272L72-D141 PolarHBondContact O-N 3.11Å; H73-D141 WeakPolarHBondContact CA-OD1 3.37Å; G74-D141 WeakPolarHBondContact CA-O 3.4Å; G74-D141 WeakPolarHBondContact CA-OD2 3.42Å; G74-D141 PolarHBondContact N-O 3.44Å; G74-D141 PolarHBondContact N-OD1 3.06Å; G74-D141 PolarHBondContact N-OD2 3.33Å; H85-D141 IonicContact CD2-OD1 3.67Å; H85-D141 PolarHBondContact CD2-OD1 3.42Å; H85-D141 VanDerWaalsContact CD2-OD1 3.29Å; H85-D141 IonicContact CD2-OD2 3.79Å; H85-D141 IonicContact NE2-OD1 3.56Å; H85-D141 PolarHBondContact NE2-OD1 2.82Å; H85-D141 IonicContact NE2-OD2 2.86Å; H85-D141 PolarHBondContact NE2-OD2 3.5Å; F139-D141 HydrophobicContact CE1-CB 4.09Å; F139-D141 HydrophobicContact CZ-CB 4.08Å; D141-A143 PolarHBondContact O-N 2.98Å; D141-G144 CarbonylContact O-C 3.43Å; D141-G144 VanDerWaalsContact O-CA 3.29Å; D141-G144 WeakPolarHBondContact O-CA 3.23Å; D141-G144 PolarHBondContact O-N 2.9Å; D141-G145 PolarHBondContact O-N 3.4Å; D141-A170 CarbonylContact C-O 3.57Å; D141-A170 VanDerWaalsContact CA-O 3.22Å; D141-A170 WeakPolarHBondContact CA-O 3.29Å; D141-A170 HydrophobicContact CB-CB 3.95Å; D141-V272 HydrophobicContact CB-CG2 3.74Å
142S98.9Very high98.6Very high1 Ų112.1 Ų12.11%0.0077%0.073CC..Hα-helixtrans49-122.4176.2-173.30000112.7G144 G145 G146 A170 S171 W173 H268 D269S142-G144 VanDerWaalsContact C-N 3.31Å; S142-G144 PolarHBondContact O-N 2.82Å; S142-G145 WeakPolarHBondContact O-CA 3.47Å; S142-G145 PolarHBondContact O-N 2.81Å; S142-G146 PolarHBondContact O-N 3.21Å; S142-G146 VanDerWaalsContact O-N 3.13Å; S142-A170 PolarHBondContact N-O 3.05Å; S142-S171 VanDerWaalsContact CA-O 3.32Å; S142-S171 WeakPolarHBondContact CA-O 3.49Å; S142-W173 PolarHBondContact O-N 3.03Å; S142-H268 VanDerWaalsContact CB-CE1 3.5Å; S142-H268 WeakPolarHBondContact CB-CE1 3.2Å; S142-H268 WeakPolarHBondContact CB-NE2 3.43Å; S142-H268 PolarHBondContact OG-CE1 3.33Å; S142-H268 VanDerWaalsContact OG-CE1 3.28Å; S142-H268 PolarHBondContact OG-NE2 3.03Å; S142-D269 WeakPolarHBondContact CB-OD2 3.4Å
143A98.8Very high98.7Very high0 Ų08.9 Ų8.90%05%0.051CC..Hα-helixtrans-56.2-38.7173.300000113.6Y77 D141 G145 G146 L147 W173Y77-A143 HydrophobicContact CD1-CB 3.86Å; Y77-A143 HydrophobicContact CD2-CB 3.85Å; Y77-A143 HydrophobicContact CE1-CB 3.83Å; Y77-A143 WeakPolarHBondContact CE1-O 3.33Å; Y77-A143 HydrophobicContact CE2-CB 3.83Å; Y77-A143 HydrophobicContact CG-CB 3.87Å; Y77-A143 PolarHBondContact OH-O 3.2Å; D141-A143 PolarHBondContact O-N 2.98Å; A143-G145 PolarHBondContact O-N 2.97Å; A143-G146 WeakPolarHBondContact O-CA 3.33Å; A143-G146 PolarHBondContact O-N 3.35Å; A143-G146 VanDerWaalsContact O-N 3.1Å; A143-L147 PolarHBondContact O-N 3.34Å; A143-W173 HydrophobicContact CB-CE3 4.07Å
144G98.9Very high98.6Very high0 Ų07 Ų70%04%0.039CC..Hα-helixtrans-64.8-28.6173.300000112.8L72 H73 D141 S142 L147 A148L72-G144 WeakPolarHBondContact O-CA 3.32Å; H73-G144 WeakPolarHBondContact O-CA 3.42Å; H73-G144 PolarHBondContact O-N 3.31Å; H73-G144 VanDerWaalsContact O-N 3.17Å; D141-G144 CarbonylContact O-C 3.43Å; D141-G144 VanDerWaalsContact O-CA 3.29Å; D141-G144 WeakPolarHBondContact O-CA 3.23Å; D141-G144 PolarHBondContact O-N 2.9Å; S142-G144 VanDerWaalsContact C-N 3.31Å; S142-G144 PolarHBondContact O-N 2.82Å; G144-L147 PolarHBondContact O-N 3.01Å; G144-A148 VanDerWaalsContact O-CB 3.25Å; G144-A148 WeakPolarHBondContact O-CB 3.37Å; G144-A148 PolarHBondContact O-N 3.07Å
145G98.9Very high98.5Very high0 Ų06.8 Ų6.80%04%0.038CC..Hα-helixtrans-68-39169.900000112.7G140 D141 S142 A143 M149G140-G145 WeakPolarHBondContact O-CA 3.19Å; D141-G145 PolarHBondContact O-N 3.4Å; S142-G145 WeakPolarHBondContact O-CA 3.47Å; S142-G145 PolarHBondContact O-N 2.81Å; A143-G145 PolarHBondContact O-N 2.97Å; G145-M149 WeakPolarHBondContact O-CG 3.46Å; G145-M149 PolarHBondContact O-N 3.07Å; G145-M149 VanDerWaalsContact O-N 3.11Å
146G98.9Very high98.4Very high0 Ų05.8 Ų5.80%03%0.027CC..Hα-helixtrans-59.9-52.8168.500000111.7S142 A143 A148 M149 S150 W173 P218S142-G146 PolarHBondContact O-N 3.21Å; S142-G146 VanDerWaalsContact O-N 3.13Å; A143-G146 WeakPolarHBondContact O-CA 3.33Å; A143-G146 PolarHBondContact O-N 3.35Å; A143-G146 VanDerWaalsContact O-N 3.1Å; G146-A148 VanDerWaalsContact C-N 3.32Å; G146-A148 PolarHBondContact O-N 2.93Å; G146-M149 PolarHBondContact O-N 3.45Å; G146-S150 PolarHBondContact O-N 3.32Å; G146-S150 PolarHBondContact O-OG 3.05Å; G146-W173 WeakPolarHBondContact CA-O 3.23Å; G146-P218 WeakPolarHBondContact O-CG 3.42Å
147L98.9Very high98Very high0 Ų011.1 Ų11.10%06%0.056CC..Hα-helixtrans-58.1-41.7177.2-176.257.5000112.6L72 Y77 Y105 T116 V117 T120 A143 G144 M149 S150 L151L72-L147 HydrophobicContact CD1-CB 4.43Å; L72-L147 HydrophobicContact CD1-CD2 4.35Å; L72-L147 HydrophobicContact CD1-CG 4.05Å; L72-L147 HydrophobicContact CD2-CD2 4.19Å; Y77-L147 HydrophobicContact CE1-CB 4.21Å; Y105-L147 HydrophobicContact CD1-CD2 3.89Å; Y105-L147 HydrophobicContact CD2-CD2 3.82Å; Y105-L147 HydrophobicContact CE1-CD2 4.09Å; Y105-L147 HydrophobicContact CE2-CD2 4.04Å; Y105-L147 HydrophobicContact CG-CD2 3.79Å; T116-L147 HydrophobicContact CG2-CD1 4.17Å; T116-L147 HydrophobicContact CG2-CD2 4.16Å; V117-L147 HydrophobicContact CG2-CD1 3.82Å; T120-L147 HydrophobicContact CG2-CD1 4.48Å; T120-L147 HydrophobicContact CG2-CD2 4.18Å; T120-L147 HydrophobicContact CG2-CG 4.29Å; A143-L147 PolarHBondContact O-N 3.34Å; G144-L147 PolarHBondContact O-N 3.01Å; L147-M149 VanDerWaalsContact C-N 3.3Å; L147-M149 PolarHBondContact O-N 3.29Å; L147-S150 PolarHBondContact O-N 3.17Å; L147-L151 WeakPolarHBondContact O-CB 3.38Å; L147-L151 PolarHBondContact O-N 2.77Å
148A98.9Very high97.7Very high0 Ų012.8 Ų12.80%07%0.065CC..Hα-helixtrans-60.1-41.2176.100000111.6L72 L138 G144 G146 A152 L169L72-A148 HydrophobicContact CD1-CB 3.9Å; L138-A148 HydrophobicContact CB-CB 4.32Å; L138-A148 HydrophobicContact CD1-CB 4.23Å; L138-A148 VanDerWaalsContact CD1-O 3.32Å; L138-A148 WeakPolarHBondContact CD1-O 3.4Å; G144-A148 VanDerWaalsContact O-CB 3.25Å; G144-A148 WeakPolarHBondContact O-CB 3.37Å; G144-A148 PolarHBondContact O-N 3.07Å; G146-A148 VanDerWaalsContact C-N 3.32Å; G146-A148 PolarHBondContact O-N 2.93Å; A148-A152 WeakPolarHBondContact O-CB 3.25Å; A148-A152 PolarHBondContact O-N 2.91Å; A148-L169 HydrophobicContact CB-CD2 4.05Å
149M98.9Very high97.1Very high0 Ų020.3 Ų20.30%011%0.105CC..Hα-helixtrans-70-46.7176.7-73.6-53.8-46.200112.3G145 G146 L147 L151 A152 Q153 I167 L169 L174 P218 F223 L226 L229G145-M149 WeakPolarHBondContact O-CG 3.46Å; G145-M149 PolarHBondContact O-N 3.07Å; G145-M149 VanDerWaalsContact O-N 3.11Å; G146-M149 PolarHBondContact O-N 3.45Å; L147-M149 VanDerWaalsContact C-N 3.3Å; L147-M149 PolarHBondContact O-N 3.29Å; M149-L151 VanDerWaalsContact C-N 3.31Å; M149-L151 PolarHBondContact O-N 3.49Å; M149-A152 PolarHBondContact O-N 3.33Å; M149-Q153 WeakPolarHBondContact O-CB 3.22Å; M149-Q153 WeakPolarHBondContact O-CG 3.22Å; M149-Q153 PolarHBondContact O-N 3.18Å; M149-I167 HydrophobicContact SD-CG2 4.18Å; M149-L169 HydrophobicContact CG-CD1 3.66Å; M149-L169 HydrophobicContact CG-CD2 4.28Å; M149-L169 HydrophobicContact SD-CD1 3.73Å; M149-L174 HydrophobicContact CB-CD2 4.35Å; M149-L174 HydrophobicContact CG-CD2 3.99Å; M149-P218 HydrophobicContact CB-CB 3.66Å; M149-P218 HydrophobicContact CB-CG 3.82Å; M149-F223 HydrophobicContact CE-CD1 3.78Å; M149-F223 HydrophobicContact CE-CE1 3.61Å; M149-L226 HydrophobicContact CE-CD1 3.51Å; M149-L229 HydrophobicContact CE-CD2 4.29Å; M149-L229 HydrophobicContact SD-CD2 3.96Å
150S98.8Very high96.5Very high4 Ų421.3 Ų21.33%0.02811%0.11CC..Hα-helixtrans-58.6-43.8175.4-62.10000111.4G146 L147 Q153 H154 P214G146-S150 PolarHBondContact O-N 3.32Å; G146-S150 PolarHBondContact O-OG 3.05Å; L147-S150 PolarHBondContact O-N 3.17Å; S150-Q153 PolarHBondContact O-N 3Å; S150-H154 WeakPolarHBondContact O-CB 3.17Å; S150-H154 PolarHBondContact O-N 3.37Å; S150-P214 WeakPolarHBondContact CB-O 3.48Å; S150-P214 PolarHBondContact OG-O 3.09Å
151L98.7Very high95.7Very high0 Ų027 Ų270%015%0.147CC..Hα-helixtrans-59.9-50.5174.4177.568.1000111.2F70 L72 T120 E121 L138 L147 M149 Q153 H154 L155F70-L151 HydrophobicContact CD1-CD2 4.01Å; F70-L151 HydrophobicContact CE1-CD2 3.87Å; L72-L151 HydrophobicContact CD1-CD2 4.21Å; T120-L151 HydrophobicContact CG2-CD1 4.38Å; T120-L151 HydrophobicContact CG2-CD2 3.97Å; E121-L151 HydrophobicContact CB-CD1 4.05Å; L138-L151 HydrophobicContact CD1-CD2 4.29Å; L138-L151 HydrophobicContact CD2-CD2 3.91Å; L147-L151 WeakPolarHBondContact O-CB 3.38Å; L147-L151 PolarHBondContact O-N 2.77Å; M149-L151 VanDerWaalsContact C-N 3.31Å; M149-L151 PolarHBondContact O-N 3.49Å; L151-Q153 VanDerWaalsContact C-N 3.32Å; L151-Q153 PolarHBondContact O-N 3.42Å; L151-H154 PolarHBondContact O-N 2.7Å; L151-H154 VanDerWaalsContact O-N 3.16Å; L151-L155 HydrophobicContact CD1-CD1 3.91Å; L151-L155 HydrophobicContact CD1-CD2 4.18Å; L151-L155 HydrophobicContact CD1-CG 3.84Å; L151-L155 HydrophobicContact CD2-CD1 4.25Å; L151-L155 HydrophobicContact CG-CD1 3.72Å; L151-L155 HydrophobicContact CG-CG 4.06Å; L151-L155 WeakPolarHBondContact O-CB 3.45Å; L151-L155 VanDerWaalsContact O-CG 3.23Å; L151-L155 WeakPolarHBondContact O-CG 3.2Å; L151-L155 PolarHBondContact O-N 3.34Å
152A98.6Very high95.3Very high6 Ų630.1 Ų30.15%0.0516%0.16CC..Hα-helixtrans-60.5-42.2-179.200000112.3L138 A148 M149 H154 R156 I167 L226L138-A152 HydrophobicContact CD1-CB 4.03Å; A148-A152 WeakPolarHBondContact O-CB 3.25Å; A148-A152 PolarHBondContact O-N 2.91Å; M149-A152 PolarHBondContact O-N 3.33Å; A152-H154 VanDerWaalsContact C-N 3.34Å; A152-R156 PolarHBondContact O-N 2.91Å; A152-R156 VanDerWaalsContact O-N 3.07Å; A152-I167 HydrophobicContact CB-CD1 3.51Å; A152-L226 HydrophobicContact CB-CD2 4.21Å
153Q98.1Very high95.1Very high8 Ų833.9 Ų33.94%0.03717%0.174CC..Hα-helixtrans-63.4-40.2175.6-67.2175.6-1.400111.8M149 S150 L151 R156 P218 N222 L226M149-Q153 WeakPolarHBondContact O-CB 3.22Å; M149-Q153 WeakPolarHBondContact O-CG 3.22Å; M149-Q153 PolarHBondContact O-N 3.18Å; S150-Q153 PolarHBondContact O-N 3Å; L151-Q153 VanDerWaalsContact C-N 3.32Å; L151-Q153 PolarHBondContact O-N 3.42Å; Q153-R156 PolarHBondContact O-NH2 2.92Å; Q153-P218 PolarHBondContact NE2-O 3.12Å; Q153-N222 WeakPolarHBondContact CG-O 3.5Å; Q153-L226 HydrophobicContact CG-CD1 4.14Å
154H95.8Very high95.1Very high61 Ų6134.4 Ų34.428%0.28218%0.178SC..Hα-helixtrans-66.8-52.4176.6-170.483.3000111.8E121 S150 L151 A152 R156 N157E121-H154 IonicContact OE2-CD2 2.79Å; E121-H154 PolarHBondContact OE2-CD2 3.2Å; E121-H154 IonicContact OE2-NE2 3.26Å; E121-H154 PolarHBondContact OE2-NE2 3.09Å; S150-H154 WeakPolarHBondContact O-CB 3.17Å; S150-H154 PolarHBondContact O-N 3.37Å; L151-H154 PolarHBondContact O-N 2.7Å; L151-H154 VanDerWaalsContact O-N 3.16Å; A152-H154 VanDerWaalsContact C-N 3.34Å; H154-R156 PolarHBondContact O-N 3.42Å; H154-R156 VanDerWaalsContact O-N 3.11Å; H154-N157 PolarHBondContact O-N 3.39Å
155L96.7Very high95Very high1 Ų140.5 Ų40.51%0.00521%0.205CC..Hα-helixtrans-57.3-28.4178.2-67.1175.7000112.4E121 F124 L151 N157 I158 L160 R163 P164E121-L155 HydrophobicContact CG-CD2 3.77Å; F124-L155 HydrophobicContact CD1-CD1 3.6Å; F124-L155 HydrophobicContact CD1-CD2 3.73Å; F124-L155 HydrophobicContact CD1-CG 4.37Å; F124-L155 HydrophobicContact CD2-CD1 4.36Å; F124-L155 HydrophobicContact CE1-CD1 3.76Å; F124-L155 HydrophobicContact CE1-CD2 4.25Å; F124-L155 HydrophobicContact CE2-CD1 4.48Å; F124-L155 HydrophobicContact CG-CD1 3.93Å; F124-L155 HydrophobicContact CG-CD2 4.47Å; F124-L155 HydrophobicContact CZ-CD1 4.21Å; L151-L155 HydrophobicContact CD1-CD1 3.91Å; L151-L155 HydrophobicContact CD1-CD2 4.18Å; L151-L155 HydrophobicContact CD1-CG 3.84Å; L151-L155 HydrophobicContact CD2-CD1 4.25Å; L151-L155 HydrophobicContact CG-CD1 3.72Å; L151-L155 HydrophobicContact CG-CG 4.06Å; L151-L155 WeakPolarHBondContact O-CB 3.45Å; L151-L155 VanDerWaalsContact O-CG 3.23Å; L151-L155 WeakPolarHBondContact O-CG 3.2Å; L151-L155 PolarHBondContact O-N 3.34Å; L155-N157 VanDerWaalsContact C-N 3.33Å; L155-I158 HydrophobicContact CD2-CD1 4.26Å; L155-L160 HydrophobicContact CB-CD1 4.37Å; L155-L160 HydrophobicContact CD2-CD1 3.32Å; L155-L160 HydrophobicContact CG-CD1 4.4Å; L155-R163 PolarHBondContact O-NE 2.9Å; L155-R163 PolarHBondContact O-NH2 3.3Å; L155-P164 HydrophobicContact CD1-CG 4.06Å
156R94.6Very high95Very high30 Ų3042.1 Ų42.111%0.11321%0.211CC..Hα-helixtrans-66.3-35.6174.5-176.2-157.663.6-136.5-19.5112.6A152 Q153 H154 I158 R163 N222 D224 Q225 L226A152-R156 PolarHBondContact O-N 2.91Å; A152-R156 VanDerWaalsContact O-N 3.07Å; Q153-R156 PolarHBondContact O-NH2 2.92Å; H154-R156 PolarHBondContact O-N 3.42Å; H154-R156 VanDerWaalsContact O-N 3.11Å; R156-I158 VanDerWaalsContact C-N 3.3Å; R156-I158 PolarHBondContact O-N 2.94Å; R156-R163 VanDerWaalsContact CA-NH1 3.31Å; R156-R163 PolarHBondContact O-NH1 3.45Å; R156-R163 PolarHBondContact O-NH2 2.77Å; R156-N222 VanDerWaalsContact NH1-CG 3.35Å; R156-N222 PolarHBondContact NH1-O 3.33Å; R156-N222 PolarHBondContact NH1-OD1 3.05Å; R156-D224 WeakPolarHBondContact CD-O 3.33Å; R156-D224 PolarHBondContact NH1-O 3.13Å; R156-D224 VanDerWaalsContact NH1-O 3.1Å; R156-Q225 HydrophobicContact CG-CB 4.21Å; R156-L226 HydrophobicContact CB-CD2 4.21Å
157N91.9Very high95Very high114 Ų11442.1 Ų42.161%0.6121%0.212SC*.Hα-helixtrans-82.6-10.1-173.3-66.8-13.7000113.1H154 L155H154-N157 PolarHBondContact O-N 3.39Å; L155-N157 VanDerWaalsContact C-N 3.33Å
158I91Very high95Very high43 Ų4342.1 Ų42.122%0.22121%0.212CC..SBendtrans-112.8147.6-178.758.9170.4000111.5E121 L155 R156 L160 R163E121-I158 HydrophobicContact CG-CD1 4.2Å; E121-I158 WeakPolarHBondContact OE1-CD1 3.2Å; L155-I158 HydrophobicContact CD2-CD1 4.26Å; R156-I158 VanDerWaalsContact C-N 3.3Å; R156-I158 PolarHBondContact O-N 2.94Å; I158-L160 HydrophobicContact CD1-CD1 3.51Å; I158-L160 HydrophobicContact CD1-CD2 4.37Å; I158-L160 HydrophobicContact CD1-CG 3.85Å; I158-L160 HydrophobicContact CG1-CD1 3.77Å; I158-L160 HydrophobicContact CG1-CG 3.91Å; I158-L160 PolarHBondContact O-N 2.88Å; I158-R163 PolarHBondContact O-NH2 3.22Å
159D86.7Confident95Very high158 Ų15842.1 Ų42.185%0.84521%0.212SC*.  trans-73.9115.4176.1-17017.3000109.7
160L86.4Confident95Very high22 Ų2242.1 Ų42.112%0.11521%0.212CC..  trans-141.7140.7-178.3-75.7177.7000110R125 L155 I158 K162R125-L160 HydrophobicContact CG-CD2 4.07Å; L155-L160 HydrophobicContact CB-CD1 4.37Å; L155-L160 HydrophobicContact CD2-CD1 3.32Å; L155-L160 HydrophobicContact CG-CD1 4.4Å; I158-L160 HydrophobicContact CD1-CD1 3.51Å; I158-L160 HydrophobicContact CD1-CD2 4.37Å; I158-L160 HydrophobicContact CD1-CG 3.85Å; I158-L160 HydrophobicContact CG1-CD1 3.77Å; I158-L160 HydrophobicContact CG1-CG 3.91Å; I158-L160 PolarHBondContact O-N 2.88Å; L160-K162 PolarHBondContact O-N 3.38Å; L160-K162 VanDerWaalsContact O-N 3.16Å
161P83.1Confident95Very high118 Ų11842 Ų4277%0.76621%0.21SC*.SBendtrans-65.5-21.7179.527.3-35.2000112.6
162K90.5Very high95Very high66 Ų6642 Ų4229%0.28721%0.21SC..  trans-139.3144-177.4-64.3-68.7-179.9136.40110.6A128 P132 D134 F136 L160A128-K162 HydrophobicContact CB-CB 4.13Å; A128-K162 HydrophobicContact CB-CG 4.48Å; P132-K162 WeakPolarHBondContact O-CE 3.5Å; P132-K162 PolarHBondContact O-NZ 3.2Å; D134-K162 PolarHBondContact O-NZ 3.27Å; F136-K162 HydrophobicContact CD2-CB 4.19Å; F136-K162 HydrophobicContact CD2-CG 4.48Å; F136-K162 HydrophobicContact CE2-CB 4.46Å; F136-K162 HydrophobicContact CE2-CG 4.42Å; L160-K162 PolarHBondContact O-N 3.38Å; L160-K162 VanDerWaalsContact O-N 3.16Å
163R94.4Very high95Very high80 Ų8041.8 Ų41.830%0.30221%0.208SC..  trans-137.4152.2173-63-179.2-178.3-170.4-6.2108.7L155 R156 I158 K165L155-R163 PolarHBondContact O-NE 2.9Å; L155-R163 PolarHBondContact O-NH2 3.3Å; R156-R163 VanDerWaalsContact CA-NH1 3.31Å; R156-R163 PolarHBondContact O-NH1 3.45Å; R156-R163 PolarHBondContact O-NH2 2.77Å; I158-R163 PolarHBondContact O-NH2 3.22Å; R163-K165 PolarHBondContact O-N 2.9Å
164P97.8Very high95.1Very high12 Ų1241.4 Ų41.48%0.07821%0.207CC..  trans-56.8136.1171.1-22.533.7000111F124 F136 L138 L155F124-P164 HydrophobicContact CE2-CG 3.82Å; F124-P164 HydrophobicContact CZ-CG 3.94Å; F136-P164 CarbonylContact O-C 3.54Å; F136-P164 VanDerWaalsContact O-CA 3.25Å; F136-P164 WeakPolarHBondContact O-CA 3.35Å; L138-P164 HydrophobicContact CD1-CB 4.16Å; L138-P164 HydrophobicContact CD1-CG 3.81Å; L138-P164 HydrophobicContact CD2-CG 4.04Å; L138-P164 HydrophobicContact CG-CB 3.77Å; L138-P164 HydrophobicContact CG-CG 3.63Å; L155-P164 HydrophobicContact CD1-CG 4.06Å
165K97.7Very high95.2Very high128 Ų12838.5 Ų38.556%0.55719%0.193SC*.SBendtrans-96.1-30.5179.2-64.3-60.7-174179.50113.1F136 F137 R163 E228F136-K165 PolarHBondContact O-N 3.34Å; F137-K165 HydrophobicContact CD1-CB 4.43Å; F137-K165 HydrophobicContact CE1-CB 4.27Å; R163-K165 PolarHBondContact O-N 2.9Å; K165-E228 PolarHBondContact O-N 3.2Å; K165-E228 VanDerWaalsContact O-N 3.16Å
166K98.8Very high95.3Very high33 Ų3338.5 Ų38.514%0.14319%0.194CC..EExtended strand (participates in β ladder)trans-134.1137-178.6-61.5-173175.2177.60109.2F137 L138 E228 F288 Y289 Q290F137-K166 CarbonylContact C-O 3.58Å; F137-K166 VanDerWaalsContact CA-O 3.23Å; F137-K166 WeakPolarHBondContact CA-O 3.47Å; F137-K166 WeakPolarHBondContact CB-O 3.18Å; F137-K166 HydrophobicContact CD1-CB 3.63Å; F137-K166 HydrophobicContact CD1-CD 4.45Å; F137-K166 HydrophobicContact CD1-CG 4.06Å; F137-K166 HydrophobicContact CE1-CB 4.14Å; F137-K166 HydrophobicContact CE1-CD 4.16Å; F137-K166 HydrophobicContact CE1-CG 4.04Å; F137-K166 HydrophobicContact CG-CB 4.36Å; L138-K166 PolarHBondContact N-O 3.48Å; K166-E228 CarbonylContact C-O 3.49Å; K166-E228 VanDerWaalsContact CA-O 3.31Å; K166-E228 WeakPolarHBondContact CA-O 3.21Å; K166-E228 HydrophobicContact CG-CB 4.36Å; K166-F288 HydrophobicContact CB-CD1 4.36Å; K166-F288 HydrophobicContact CB-CE1 3.63Å; K166-F288 HydrophobicContact CB-CZ 3.76Å; K166-F288 HydrophobicContact CD-CD2 4.38Å; K166-F288 HydrophobicContact CD-CE1 4.33Å; K166-F288 HydrophobicContact CD-CE2 4.09Å; K166-F288 HydrophobicContact CD-CZ 4.08Å; K166-F288 WeakPolarHBondContact CD-O 3.31Å; K166-F288 WeakPolarHBondContact CE-O 3.46Å; K166-F288 HydrophobicContact CG-CE1 4.35Å; K166-F288 HydrophobicContact CG-CE2 4.47Å; K166-F288 HydrophobicContact CG-CZ 4.04Å; K166-F288 PolarHBondContact NZ-O 3.06Å; K166-Y289 HydrophobicContact CB-CD1 4.2Å; K166-Y289 HydrophobicContact CB-CE1 4.35Å; K166-Q290 PolarHBondContact NZ-OXT 2.99Å
167I98.9Very high95.4Very high1 Ų138.9 Ų38.91%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-128.2114.5-177.7-56.1174.1000107.6L138 M149 A152 L169 L226 E228 L229 L230L138-I167 HydrophobicContact CB-CB 4.44Å; L138-I167 HydrophobicContact CB-CG1 4.22Å; L138-I167 HydrophobicContact CB-CG2 4.11Å; L138-I167 HydrophobicContact CD1-CD1 4.36Å; L138-I167 HydrophobicContact CD1-CG1 4.27Å; L138-I167 CarbonylContact O-C 3.55Å; L138-I167 WeakPolarHBondContact O-CA 3.44Å; M149-I167 HydrophobicContact SD-CG2 4.18Å; A152-I167 HydrophobicContact CB-CD1 3.51Å; I167-L169 HydrophobicContact CG2-CD2 3.79Å; I167-L169 HydrophobicContact CG2-CG 4.09Å; I167-L226 HydrophobicContact CD1-CB 4.36Å; I167-E228 PolarHBondContact N-O 3.29Å; I167-L229 HydrophobicContact CB-CD1 4.27Å; I167-L229 HydrophobicContact CB-CG 4.17Å; I167-L229 HydrophobicContact CD1-CD1 4.2Å; I167-L229 CarbonylContact O-C 3.6Å; I167-L229 VanDerWaalsContact O-CA 3.24Å; I167-L229 WeakPolarHBondContact O-CA 3.43Å; I167-L230 PolarHBondContact O-N 3.26Å
168A99Very high95.7Very high0 Ų033.6 Ų33.60%017%0.172CC..EExtended strand (participates in β ladder)trans-103.1132.6172.200000110.1L138 F139 G140 L230 I285 F288 Y289L138-A168 PolarHBondContact O-N 3.37Å; F139-A168 WeakPolarHBondContact CA-O 3.09Å; F139-A168 HydrophobicContact CD2-CB 4.28Å; G140-A168 PolarHBondContact N-O 3.24Å; A168-L230 CarbonylContact C-O 3.55Å; A168-L230 VanDerWaalsContact CA-O 3.23Å; A168-L230 WeakPolarHBondContact CA-O 3.21Å; A168-L230 HydrophobicContact CB-CB 4.4Å; A168-I285 HydrophobicContact CB-CB 4.47Å; A168-I285 HydrophobicContact CB-CG1 4.22Å; A168-I285 HydrophobicContact CB-CG2 3.6Å; A168-F288 HydrophobicContact CB-CD1 4.15Å; A168-F288 HydrophobicContact CB-CE1 4.4Å; A168-Y289 HydrophobicContact CB-CE1 4.27Å; A168-Y289 WeakPolarHBondContact CB-OH 3.41Å
169L99Very high96Very high0 Ų034.5 Ų34.50%018%0.183CC..EExtended strand (participates in β ladder)trans-123.1133.7-180-53.1174.6000110.2G140 A148 M149 I167 P172 L230 V231 V232 L246G140-L169 VanDerWaalsContact O-CA 3.22Å; G140-L169 WeakPolarHBondContact O-CA 3.43Å; A148-L169 HydrophobicContact CB-CD2 4.05Å; M149-L169 HydrophobicContact CG-CD1 3.66Å; M149-L169 HydrophobicContact CG-CD2 4.28Å; M149-L169 HydrophobicContact SD-CD1 3.73Å; I167-L169 HydrophobicContact CG2-CD2 3.79Å; I167-L169 HydrophobicContact CG2-CG 4.09Å; L169-P172 HydrophobicContact CB-CB 4.05Å; L169-P172 HydrophobicContact CB-CG 3.89Å; L169-P172 HydrophobicContact CD1-CB 4.08Å; L169-P172 HydrophobicContact CD1-CG 3.98Å; L169-L230 PolarHBondContact N-O 2.95Å; L169-V231 HydrophobicContact CB-CG1 4.33Å; L169-V231 HydrophobicContact CB-CG2 4.13Å; L169-V231 HydrophobicContact CD1-CG2 4.02Å; L169-V231 HydrophobicContact CG-CG2 4.38Å; L169-V231 CarbonylContact O-C 3.18Å; L169-V231 WeakPolarHBondContact O-CA 3.37Å; L169-V232 PolarHBondContact O-N 3.06Å; L169-L246 HydrophobicContact CD1-CD2 4.26Å
170A98.9Very high96.5Very high0 Ų027.9 Ų27.90%015%0.147CC..EExtended strand (participates in β ladder)trans-109.2119.9168.600000108.7F139 G140 D141 S142 P172 V232 V271F139-A170 HydrophobicContact CZ-CB 4.32Å; G140-A170 PolarHBondContact O-N 2.69Å; D141-A170 CarbonylContact C-O 3.57Å; D141-A170 VanDerWaalsContact CA-O 3.22Å; D141-A170 WeakPolarHBondContact CA-O 3.29Å; D141-A170 HydrophobicContact CB-CB 3.95Å; S142-A170 PolarHBondContact N-O 3.05Å; A170-P172 VanDerWaalsContact C-N 3.34Å; A170-P172 VanDerWaalsContact O-N 3.15Å; A170-V232 CarbonylContact C-O 3.5Å; A170-V232 WeakPolarHBondContact CA-O 3.46Å; A170-V271 HydrophobicContact CB-CB 4.02Å; A170-V271 HydrophobicContact CB-CG1 4.25Å; A170-V271 HydrophobicContact CB-CG2 4.24Å
171S98.9Very high96.9Very high0 Ų031.6 Ų31.60%017%0.173CC..SBendtrans45.348.7175.9-67.10000114.3S142 V232 E237 L239 H268 D269S142-S171 VanDerWaalsContact CA-O 3.32Å; S142-S171 WeakPolarHBondContact CA-O 3.49Å; S171-V232 PolarHBondContact N-O 3.11Å; S171-E237 WeakPolarHBondContact CB-OE1 3.44Å; S171-E237 WeakPolarHBondContact CB-OE2 3.02Å; S171-E237 VanDerWaalsContact OG-CD 3.29Å; S171-E237 PolarHBondContact OG-OE1 2.9Å; S171-E237 PolarHBondContact OG-OE2 2.9Å; S171-L239 WeakPolarHBondContact O-CD1 3.28Å; S171-H268 PolarHBondContact O-CE1 3.23Å; S171-D269 WeakPolarHBondContact CB-OD1 3.33Å; S171-D269 PolarHBondContact OG-N 3.15Å
172P98.9Very high97.6Very high0 Ų030.5 Ų30.50%015%0.153CC..  trans-66.8141.7-166.928.4-36.6000113L169 A170 L174 V231 V243L169-P172 HydrophobicContact CB-CB 4.05Å; L169-P172 HydrophobicContact CB-CG 3.89Å; L169-P172 HydrophobicContact CD1-CB 4.08Å; L169-P172 HydrophobicContact CD1-CG 3.98Å; A170-P172 VanDerWaalsContact C-N 3.34Å; A170-P172 VanDerWaalsContact O-N 3.15Å; P172-L174 HydrophobicContact CB-CD2 3.99Å; P172-L174 HydrophobicContact CB-CG 4.11Å; P172-L174 HydrophobicContact CG-CD1 4.19Å; P172-L174 HydrophobicContact CG-CD2 4.38Å; P172-L174 HydrophobicContact CG-CG 4.24Å; P172-V231 HydrophobicContact CG-CG1 4.14Å; P172-V243 HydrophobicContact CG-CG2 4.09Å
173W98.8Very high97.9Very high2 Ų227.3 Ų27.31%0.00814%0.14CC..  trans-91.1109.7171.5-170.914.7000110.2Y77 S142 A143 G146 D175 A176 L198 A201 L239Y77-W173 AromaticContact CD2-CE3 3.93Å; Y77-W173 HydrophobicContact CD2-CE3 3.93Å; Y77-W173 HydrophobicContact CD2-CH2 4.46Å; Y77-W173 AromaticContact CD2-CZ3 3.59Å; Y77-W173 HydrophobicContact CD2-CZ3 3.59Å; Y77-W173 HydrophobicContact CE2-CD2 4.34Å; Y77-W173 AromaticContact CE2-CE3 3.54Å; Y77-W173 HydrophobicContact CE2-CE3 3.54Å; Y77-W173 HydrophobicContact CE2-CH2 4.49Å; Y77-W173 AromaticContact CE2-CZ3 3.63Å; Y77-W173 HydrophobicContact CE2-CZ3 3.63Å; S142-W173 PolarHBondContact O-N 3.03Å; A143-W173 HydrophobicContact CB-CE3 4.07Å; G146-W173 WeakPolarHBondContact CA-O 3.23Å; W173-D175 PolarHBondContact NE1-O 3.11Å; W173-A176 HydrophobicContact CZ2-CB 4.31Å; W173-L198 HydrophobicContact CD2-CD1 4.36Å; W173-L198 HydrophobicContact CD2-CD2 4.44Å; W173-L198 HydrophobicContact CD2-CG 4.41Å; W173-L198 HydrophobicContact CE3-CD1 4.03Å; W173-L198 HydrophobicContact CH2-CD1 3.57Å; W173-L198 HydrophobicContact CH2-CG 3.79Å; W173-L198 WeakPolarHBondContact CH2-O 3.34Å; W173-L198 HydrophobicContact CZ2-CD1 3.94Å; W173-L198 HydrophobicContact CZ2-CD2 4.33Å; W173-L198 HydrophobicContact CZ2-CG 3.62Å; W173-L198 VanDerWaalsContact CZ2-O 3.26Å; W173-L198 WeakPolarHBondContact CZ2-O 3.48Å; W173-L198 HydrophobicContact CZ3-CD1 3.63Å; W173-L198 HydrophobicContact CZ3-CG 4.26Å; W173-A201 HydrophobicContact CH2-CB 4.43Å; W173-L239 HydrophobicContact CB-CD1 3.76Å; W173-L239 HydrophobicContact CB-CD2 4.27Å; W173-L239 VanDerWaalsContact CD1-CD2 3.44Å; W173-L239 HydrophobicContact CG-CD1 4.23Å; W173-L239 HydrophobicContact CG-CD2 3.93Å
174L98.9Very high97.9Very high0 Ų027.9 Ų27.90%015%0.145CC..  trans-113.3-20.5-168-57.4167.7000114M149 P172 S217 P218 I219 D242 L246M149-L174 HydrophobicContact CB-CD2 4.35Å; M149-L174 HydrophobicContact CG-CD2 3.99Å; P172-L174 HydrophobicContact CB-CD2 3.99Å; P172-L174 HydrophobicContact CB-CG 4.11Å; P172-L174 HydrophobicContact CG-CD1 4.19Å; P172-L174 HydrophobicContact CG-CD2 4.38Å; P172-L174 HydrophobicContact CG-CG 4.24Å; L174-S217 CarbonylContact O-C 3.44Å; L174-S217 WeakPolarHBondContact O-CA 3.43Å; L174-S217 WeakPolarHBondContact O-CB 3.32Å; L174-P218 HydrophobicContact CD2-CG 3.96Å; L174-P218 WeakPolarHBondContact O-CD 3.3Å; L174-I219 HydrophobicContact CB-CB 4Å; L174-I219 HydrophobicContact CD1-CD1 4.42Å; L174-I219 WeakPolarHBondContact O-CB 3.19Å; L174-I219 WeakPolarHBondContact O-CG2 3.2Å; L174-I219 PolarHBondContact O-N 2.94Å; L174-D242 HydrophobicContact CB-CB 4.18Å; L174-D242 HydrophobicContact CD1-CB 4.27Å; L174-L246 HydrophobicContact CD1-CB 3.74Å; L174-L246 HydrophobicContact CD1-CD2 3.79Å; L174-L246 HydrophobicContact CD1-CG 4.23Å
175D98.8Very high97.7Very high0 Ų034.3 Ų34.30%018%0.175CC..  trans-126.4105.1173.5-167.6-15.2000109.7W173 S177 L178 S179 I219 Y220 D242 R245W173-D175 PolarHBondContact NE1-O 3.11Å; D175-S177 PolarHBondContact O-N 3.23Å; D175-S177 VanDerWaalsContact O-N 3.1Å; D175-S177 WeakPolarHBondContact OD1-CB 3.39Å; D175-S177 PolarHBondContact OD1-N 3.42Å; D175-S177 VanDerWaalsContact OD1-N 3.12Å; D175-S177 PolarHBondContact OD1-OG 3.14Å; D175-L178 PolarHBondContact O-N 3.41Å; D175-S179 WeakPolarHBondContact OD2-CB 3.38Å; D175-S179 PolarHBondContact OD2-OG 2.96Å; D175-I219 HydrophobicContact CB-CG2 3.89Å; D175-Y220 PolarHBondContact OD2-OH 2.99Å; D175-D242 WeakPolarHBondContact CB-OD2 3.49Å; D175-D242 PolarHBondContact N-OD2 3.19Å; D175-R245 IonicContact OD2-CZ 2.79Å; D175-R245 IonicContact OD2-NH1 3.21Å; D175-R245 PolarHBondContact OD2-NH1 3.1Å; D175-R245 IonicContact OD2-NH2 3.15Å
176A98.6Very high97.7Very high2 Ų229.4 Ų29.42%0.01715%0.154CC..THydrogen-bonded Turntrans-58.3-24.3179.600000112.9W173 L211 V216 S217W173-A176 HydrophobicContact CZ2-CB 4.31Å; A176-L211 HydrophobicContact CB-CD2 3.89Å; A176-V216 HydrophobicContact CB-CG1 3.62Å; A176-S217 WeakPolarHBondContact CB-OG 3.45Å; A176-S217 PolarHBondContact N-OG 3.32Å
177S97.3Very high97.5Very high38 Ų3828.9 Ų28.927%0.26615%0.152SC..THydrogen-bonded Turntrans-85.7-12.5178.972.40000114.6D175 S179D175-S177 PolarHBondContact O-N 3.23Å; D175-S177 VanDerWaalsContact O-N 3.1Å; D175-S177 WeakPolarHBondContact OD1-CB 3.39Å; D175-S177 PolarHBondContact OD1-N 3.42Å; D175-S177 VanDerWaalsContact OD1-N 3.12Å; D175-S177 PolarHBondContact OD1-OG 3.14Å; S177-S179 PolarHBondContact O-N 2.86Å; S177-S179 WeakPolarHBondContact OG-CB 3.4Å
178L97.6Very high97.3Very high2 Ų238 Ų381%0.0119%0.192CC..  trans51.943.5-174.5-58.4159000111.9D175 D180 K195 L198 A199 I238 L239D175-L178 PolarHBondContact O-N 3.41Å; L178-D180 PolarHBondContact O-N 3.06Å; L178-K195 HydrophobicContact CB-CG 4.18Å; L178-K195 HydrophobicContact CD1-CB 4.5Å; L178-K195 HydrophobicContact CD1-CG 3.76Å; L178-K195 VanDerWaalsContact CD1-O 3.31Å; L178-K195 WeakPolarHBondContact CD1-O 3.48Å; L178-L198 HydrophobicContact CD1-CB 3.96Å; L178-L198 HydrophobicContact CD1-CD2 3.98Å; L178-L198 HydrophobicContact CD1-CG 4.1Å; L178-L198 HydrophobicContact CD2-CD2 4.28Å; L178-A199 HydrophobicContact CD1-CB 4.4Å; L178-I238 HydrophobicContact CD1-CD1 4.18Å; L178-I238 HydrophobicContact CD2-CD1 4.46Å; L178-L239 HydrophobicContact CD2-CD2 3.45Å; L178-L239 VanDerWaalsContact CD2-CD2 3.45Å
179S96.3Very high97.2Very high63 Ų6343 Ų4344%0.44121%0.214SC..  trans-67.8-17.8-169.466.30000114.8D175 S177 Y220D175-S179 WeakPolarHBondContact OD2-CB 3.38Å; D175-S179 PolarHBondContact OD2-OG 2.96Å; S177-S179 PolarHBondContact O-N 2.86Å; S177-S179 WeakPolarHBondContact OG-CB 3.4Å; S179-Y220 PolarHBondContact OG-OH 3.26Å
180D97Very high97.2Very high18 Ų1843.2 Ų43.210%0.09622%0.215CC..  trans-70.4123.3179.6-165-61.8000110.9L178 R182 S183 P241 R245L178-D180 PolarHBondContact O-N 3.06Å; D180-R182 PolarHBondContact O-N 3.31Å; D180-R182 VanDerWaalsContact O-N 3.08Å; D180-R182 VanDerWaalsContact OD1-CB 3.22Å; D180-R182 WeakPolarHBondContact OD1-CB 2.96Å; D180-R182 WeakPolarHBondContact OD1-CG 3.5Å; D180-R182 IonicContact OD1-CZ 2.74Å; D180-R182 PolarHBondContact OD1-N 3.28Å; D180-R182 IonicContact OD1-NE 2.73Å; D180-R182 PolarHBondContact OD1-NE 3.15Å; D180-R182 IonicContact OD1-NH2 3.12Å; D180-R182 IonicContact OD2-CZ 3.49Å; D180-R182 IonicContact OD2-NE 2.71Å; D180-R182 PolarHBondContact OD2-NE 3.46Å; D180-R182 IonicContact OD2-NH2 3.37Å; D180-R182 PolarHBondContact OD2-NH2 3.03Å; D180-S183 WeakPolarHBondContact O-CB 3.36Å; D180-S183 PolarHBondContact O-N 3.44Å; D180-S183 PolarHBondContact O-OG 2.69Å; D180-P241 HydrophobicContact CB-CB 3.91Å; D180-R245 WeakPolarHBondContact OD2-CD 3.33Å
181P96.3Very high97.1Very high100 Ų10044 Ų4465%0.64922%0.22SC*.THydrogen-bonded Turntrans-61.3-24.1-176.424.2-34.2000113.3S183 Q184P181-S183 PolarHBondContact O-N 2.79Å; P181-Q184 WeakPolarHBondContact O-CB 3.29Å; P181-Q184 PolarHBondContact O-N 2.86Å; P181-Q184 VanDerWaalsContact O-N 3.12Å
182R97.1Very high97.1Very high95 Ų9544.1 Ų44.136%0.35822%0.22SC..Hα-helixtrans-65-25.1177.7-62.6172.1-70.21722.4112.2D180 Q184 E185 L186 P241D180-R182 PolarHBondContact O-N 3.31Å; D180-R182 VanDerWaalsContact O-N 3.08Å; D180-R182 VanDerWaalsContact OD1-CB 3.22Å; D180-R182 WeakPolarHBondContact OD1-CB 2.96Å; D180-R182 WeakPolarHBondContact OD1-CG 3.5Å; D180-R182 IonicContact OD1-CZ 2.74Å; D180-R182 PolarHBondContact OD1-N 3.28Å; D180-R182 IonicContact OD1-NE 2.73Å; D180-R182 PolarHBondContact OD1-NE 3.15Å; D180-R182 IonicContact OD1-NH2 3.12Å; D180-R182 IonicContact OD2-CZ 3.49Å; D180-R182 IonicContact OD2-NE 2.71Å; D180-R182 PolarHBondContact OD2-NE 3.46Å; D180-R182 IonicContact OD2-NH2 3.37Å; D180-R182 PolarHBondContact OD2-NH2 3.03Å; R182-Q184 PolarHBondContact O-N 3.44Å; R182-E185 PolarHBondContact O-N 3.27Å; R182-E185 VanDerWaalsContact O-N 3.15Å; R182-L186 PolarHBondContact O-N 3.27Å; R182-L186 VanDerWaalsContact O-N 3.17Å; R182-P241 HydrophobicContact CB-CB 4.07Å; R182-P241 HydrophobicContact CB-CG 3.71Å; R182-P241 PolarHBondContact NH2-O 2.86Å
183S97.1Very high97Very high0 Ų044.3 Ų44.30%022%0.221CC..Hα-helixtrans-61.9-32.8175.2-63.20000111.5D180 P181 E185 L186 Q187 I238D180-S183 WeakPolarHBondContact O-CB 3.36Å; D180-S183 PolarHBondContact O-N 3.44Å; D180-S183 PolarHBondContact O-OG 2.69Å; P181-S183 PolarHBondContact O-N 2.79Å; S183-E185 VanDerWaalsContact C-N 3.34Å; S183-E185 PolarHBondContact O-N 3.47Å; S183-L186 PolarHBondContact O-N 3.36Å; S183-Q187 PolarHBondContact O-N 2.84Å; S183-Q187 VanDerWaalsContact O-N 3.11Å; S183-I238 WeakPolarHBondContact CB-O 3.27Å; S183-I238 PolarHBondContact OG-O 2.85Å
184Q95Very high96.9Very high91 Ų9146 Ų4643%0.42523%0.229SC..Hα-helixtrans-65-37.7175.5-172.962.529.100112.4P181 R182 Q187P181-Q184 WeakPolarHBondContact O-CB 3.29Å; P181-Q184 PolarHBondContact O-N 2.86Å; P181-Q184 VanDerWaalsContact O-N 3.12Å; R182-Q184 PolarHBondContact O-N 3.44Å; Q184-Q187 WeakPolarHBondContact O-CB 3.31Å
185E93.7Very high96.9Very high148 Ų14848 Ų4869%0.69224%0.238SC*.Hα-helixtrans-70.7-39.6179.6-60.8179.7177.900111.1R182 S183 Q187R182-E185 PolarHBondContact O-N 3.27Å; R182-E185 VanDerWaalsContact O-N 3.15Å; S183-E185 VanDerWaalsContact C-N 3.34Å; S183-E185 PolarHBondContact O-N 3.47Å; E185-Q187 VanDerWaalsContact C-N 3.31Å; E185-Q187 PolarHBondContact O-N 2.84Å
186L97.2Very high96.7Very high24 Ų2452.8 Ų52.813%0.12626%0.263CS..Hα-helixtrans-73.5-19.8-179.9-69.6172.4000113.6R182 S183 K188 K189 D190 T235 E237 I238 Y240 P241R182-L186 PolarHBondContact O-N 3.27Å; R182-L186 VanDerWaalsContact O-N 3.17Å; S183-L186 PolarHBondContact O-N 3.36Å; L186-K188 PolarHBondContact O-N 3.2Å; L186-K189 HydrophobicContact CD2-CD 4.04Å; L186-K189 WeakPolarHBondContact O-CA 3.21Å; L186-K189 WeakPolarHBondContact O-CB 3.42Å; L186-K189 PolarHBondContact O-N 3.46Å; L186-D190 PolarHBondContact O-N 3.33Å; L186-T235 WeakPolarHBondContact CD2-O 3.34Å; L186-E237 WeakPolarHBondContact CD1-O 3.49Å; L186-I238 HydrophobicContact CB-CG2 4.4Å; L186-Y240 HydrophobicContact CD1-CD1 4.36Å; L186-P241 HydrophobicContact CD1-CG 3.73Å
187Q94.7Very high96.7Very high23 Ų2354.4 Ų54.411%0.10727%0.272CS..THydrogen-bonded Turntrans-52.9-29.1177.3171.7155.4-115.100113.8K18 S183 Q184 E185 K189 E194 K195 I238K18-Q187 PolarHBondContact NZ-O 3.27Å; S183-Q187 PolarHBondContact O-N 2.84Å; S183-Q187 VanDerWaalsContact O-N 3.11Å; Q184-Q187 WeakPolarHBondContact O-CB 3.31Å; E185-Q187 VanDerWaalsContact C-N 3.31Å; E185-Q187 PolarHBondContact O-N 2.84Å; Q187-K189 VanDerWaalsContact C-N 3.33Å; Q187-E194 PolarHBondContact OE1-OE1 2.99Å; Q187-K195 VanDerWaalsContact OE1-CB 3.26Å; Q187-I238 HydrophobicContact CB-CG2 4.12Å
188K94.3Very high96.8Very high192 Ų19252.7 Ų52.784%0.83526%0.26SS*.THydrogen-bonded Turntrans-73.3-24.3176.6-66.1178.6-177.3173.40113.4L186L186-K188 PolarHBondContact O-N 3.2Å
189K96.8Very high96.8Very high106 Ų10653.5 Ų53.546%0.46127%0.267SS..THydrogen-bonded Turntrans-93.6-31.4-179.7-63.3-177.6170.8-169.40112.1L186 Q187 V191 D236L186-K189 HydrophobicContact CD2-CD 4.04Å; L186-K189 WeakPolarHBondContact O-CA 3.21Å; L186-K189 WeakPolarHBondContact O-CB 3.42Å; L186-K189 PolarHBondContact O-N 3.46Å; Q187-K189 VanDerWaalsContact C-N 3.33Å; K189-V191 PolarHBondContact O-N 3.09Å; K189-D236 HydrophobicContact CB-CB 4.08Å; K189-D236 WeakPolarHBondContact CD-OD1 3.5Å; K189-D236 IonicContact NZ-OD1 2.81Å
190D98.2Very high96.9Very high3 Ų354.5 Ų54.52%0.01626%0.264CS..  trans-67.9123.2177.9-157.9-34.7000111L186 L192 L193 E237 I238L186-D190 PolarHBondContact O-N 3.33Å; D190-L192 PolarHBondContact OD1-N 2.88Å; D190-L193 PolarHBondContact OD1-N 2.71Å; D190-L193 WeakPolarHBondContact OD2-CB 3.18Å; D190-E237 WeakPolarHBondContact OD2-CA 3.14Å; D190-I238 HydrophobicContact CB-CG2 3.87Å; D190-I238 PolarHBondContact OD2-N 3.24Å
191V98Very high97Very high17 Ų1753.7 Ų53.710%0.10326%0.26CS..SBendtrans-99.5-7-179.3-64.40000112.7K9 F12 K13 K18 K189 M267K9-V191 HydrophobicContact CB-CG2 4.44Å; K9-V191 HydrophobicContact CG-CG2 4.1Å; F12-V191 HydrophobicContact CB-CB 4.09Å; F12-V191 HydrophobicContact CB-CG2 4.21Å; F12-V191 HydrophobicContact CD2-CG2 4.24Å; K13-V191 HydrophobicContact CB-CG1 4.38Å; K18-V191 PolarHBondContact N-O 3.4Å; K189-V191 PolarHBondContact O-N 3.09Å; V191-M267 HydrophobicContact CG2-CB 3.95Å; V191-M267 HydrophobicContact CG2-SD 3.99Å
192L97.7Very high97.1Very high3 Ų348.9 Ų48.92%0.01623%0.229CC..SBendtrans-119.6-33.9-173.1-82.9171.1000113.7F12 M17 K18 V21 D190 M267 H268 Y273F12-L192 HydrophobicContact CD2-CD1 4.45Å; F12-L192 HydrophobicContact CD2-CD2 3.72Å; F12-L192 HydrophobicContact CD2-CG 3.93Å; F12-L192 HydrophobicContact CE2-CD1 4.24Å; F12-L192 HydrophobicContact CE2-CD2 3.63Å; F12-L192 HydrophobicContact CE2-CG 4.08Å; M17-L192 HydrophobicContact CG-CD2 3.79Å; K18-L192 VanDerWaalsContact CA-O 3.24Å; K18-L192 WeakPolarHBondContact CA-O 3.47Å; K18-L192 WeakPolarHBondContact CB-O 3.47Å; V21-L192 HydrophobicContact CG2-CD2 4.41Å; D190-L192 PolarHBondContact OD1-N 2.88Å; L192-M267 HydrophobicContact CD1-CE 3.9Å; L192-M267 HydrophobicContact CD1-CG 4.07Å; L192-M267 HydrophobicContact CD1-SD 3.95Å; L192-H268 HydrophobicContact CB-CB 4.32Å; L192-H268 HydrophobicContact CD1-CB 4.34Å; L192-H268 WeakPolarHBondContact CD1-O 3.17Å; L192-Y273 HydrophobicContact CD1-CD2 4.44Å; L192-Y273 HydrophobicContact CD1-CE2 3.6Å; L192-Y273 WeakPolarHBondContact CD2-OH 3.42Å
193L98Very high97.1Very high4 Ų449.8 Ų49.82%0.02124%0.237CC..  trans-110.9135.4-178.8-54.1177.2000111.1K18 D190 L198 I238 L239 H268K18-L193 WeakPolarHBondContact CD-O 3.48Å; D190-L193 PolarHBondContact OD1-N 2.71Å; D190-L193 WeakPolarHBondContact OD2-CB 3.18Å; L193-L198 HydrophobicContact CB-CD2 4.38Å; L193-L198 HydrophobicContact CD1-CD2 3.9Å; L193-L198 HydrophobicContact CD2-CD2 4.29Å; L193-L198 HydrophobicContact CG-CD2 4.42Å; L193-I238 HydrophobicContact CB-CD1 3.57Å; L193-I238 HydrophobicContact CB-CG1 3.81Å; L193-I238 HydrophobicContact CD1-CD1 4.3Å; L193-I238 HydrophobicContact CD1-CG1 3.85Å; L193-L239 HydrophobicContact CD1-CD1 3.93Å; L193-L239 HydrophobicContact CD1-CD2 4.49Å; L193-L239 HydrophobicContact CD1-CG 3.81Å; L193-H268 HydrophobicContact CD1-CB 4.01Å; L193-H268 VanDerWaalsContact CD1-CD2 3.49Å; L193-H268 WeakPolarHBondContact CD1-CD2 3.12Å; L193-H268 VanDerWaalsContact CD1-CG 3.43Å; L193-H268 HydrophobicContact CG-CB 4.14Å
194E97.1Very high97.2Very high37 Ų3752.1 Ų52.117%0.17325%0.25CC..  trans-110.3127.6170.3-158-65146.500106.1K18 Q187 D196 L197 L198K18-E194 HydrophobicContact CB-CB 4.32Å; K18-E194 HydrophobicContact CD-CB 4.25Å; K18-E194 HydrophobicContact CD-CG 4.43Å; K18-E194 HydrophobicContact CG-CB 4.35Å; Q187-E194 PolarHBondContact OE1-OE1 2.99Å; E194-D196 WeakPolarHBondContact OE2-CA 3.2Å; E194-D196 PolarHBondContact OE2-N 3.46Å; E194-L197 HydrophobicContact CB-CB 4.33Å; E194-L197 HydrophobicContact CB-CD1 4.07Å; E194-L197 HydrophobicContact CB-CG 4.44Å; E194-L197 HydrophobicContact CG-CD1 4.24Å; E194-L197 PolarHBondContact OE2-N 3.24Å; E194-L198 VanDerWaalsContact O-CB 3.22Å; E194-L198 WeakPolarHBondContact O-CB 3.24Å; E194-L198 PolarHBondContact O-N 2.62Å
195K97Very high97.4Very high41 Ų4147.8 Ų47.818%0.17823%0.23CC..Hα-helixtrans-66.2-44.4-165-176.2-166.1164.9-158.90111.8L178 Q187 L198 A199 I238L178-K195 HydrophobicContact CB-CG 4.18Å; L178-K195 HydrophobicContact CD1-CB 4.5Å; L178-K195 HydrophobicContact CD1-CG 3.76Å; L178-K195 VanDerWaalsContact CD1-O 3.31Å; L178-K195 WeakPolarHBondContact CD1-O 3.48Å; Q187-K195 VanDerWaalsContact OE1-CB 3.26Å; K195-L198 PolarHBondContact O-N 2.8Å; K195-A199 WeakPolarHBondContact O-CB 3.38Å; K195-A199 PolarHBondContact O-N 3.18Å; K195-I238 HydrophobicContact CB-CD1 4.1Å
196D96.5Very high97.6Very high101 Ų10140.9 Ų40.954%0.5420%0.197SC..Hα-helixtrans-72.3-41.5-174.1-62.5-16.4000110.1E194 L198 A199 E200E194-D196 WeakPolarHBondContact OE2-CA 3.2Å; E194-D196 PolarHBondContact OE2-N 3.46Å; D196-L198 VanDerWaalsContact C-N 3.34Å; D196-L198 PolarHBondContact O-N 2.63Å; D196-A199 PolarHBondContact O-N 3.28Å; D196-E200 PolarHBondContact O-N 3.4Å
197L98Very high97.7Very high37 Ų3741.4 Ų41.419%0.19421%0.209CC..Hα-helixtrans-65.3-36.3174.2-65.4173.6000112.4V26 E194 A201V26-L197 HydrophobicContact CG2-CB 4.27Å; V26-L197 HydrophobicContact CG2-CD2 4.04Å; V26-L197 VanDerWaalsContact CG2-O 3.31Å; V26-L197 WeakPolarHBondContact CG2-O 3.3Å; E194-L197 HydrophobicContact CB-CB 4.33Å; E194-L197 HydrophobicContact CB-CD1 4.07Å; E194-L197 HydrophobicContact CB-CG 4.44Å; E194-L197 HydrophobicContact CG-CD1 4.24Å; E194-L197 PolarHBondContact OE2-N 3.24Å; L197-A201 PolarHBondContact O-N 2.89Å
198L98.4Very high97.8Very high2 Ų248.7 Ų48.71%0.0124%0.243CC..Hα-helixtrans-71.4-37.4176.2-172.165.4000111.4M25 W173 L178 L193 E194 K195 D196 A201 G202 I238 L239M25-L198 HydrophobicContact SD-CD1 3.91Å; W173-L198 HydrophobicContact CD2-CD1 4.36Å; W173-L198 HydrophobicContact CD2-CD2 4.44Å; W173-L198 HydrophobicContact CD2-CG 4.41Å; W173-L198 HydrophobicContact CE3-CD1 4.03Å; W173-L198 HydrophobicContact CH2-CD1 3.57Å; W173-L198 HydrophobicContact CH2-CG 3.79Å; W173-L198 WeakPolarHBondContact CH2-O 3.34Å; W173-L198 HydrophobicContact CZ2-CD1 3.94Å; W173-L198 HydrophobicContact CZ2-CD2 4.33Å; W173-L198 HydrophobicContact CZ2-CG 3.62Å; W173-L198 VanDerWaalsContact CZ2-O 3.26Å; W173-L198 WeakPolarHBondContact CZ2-O 3.48Å; W173-L198 HydrophobicContact CZ3-CD1 3.63Å; W173-L198 HydrophobicContact CZ3-CG 4.26Å; L178-L198 HydrophobicContact CD1-CB 3.96Å; L178-L198 HydrophobicContact CD1-CD2 3.98Å; L178-L198 HydrophobicContact CD1-CG 4.1Å; L178-L198 HydrophobicContact CD2-CD2 4.28Å; L193-L198 HydrophobicContact CB-CD2 4.38Å; L193-L198 HydrophobicContact CD1-CD2 3.9Å; L193-L198 HydrophobicContact CD2-CD2 4.29Å; L193-L198 HydrophobicContact CG-CD2 4.42Å; E194-L198 VanDerWaalsContact O-CB 3.22Å; E194-L198 WeakPolarHBondContact O-CB 3.24Å; E194-L198 PolarHBondContact O-N 2.62Å; K195-L198 PolarHBondContact O-N 2.8Å; D196-L198 VanDerWaalsContact C-N 3.34Å; D196-L198 PolarHBondContact O-N 2.63Å; L198-A201 PolarHBondContact O-N 3.4Å; L198-G202 PolarHBondContact O-N 2.81Å; L198-I238 HydrophobicContact CD2-CD1 3.97Å; L198-L239 HydrophobicContact CD2-CD2 4.03Å
199A98.2Very high98Very high19 Ų1941.1 Ų41.116%0.15721%0.211CC..Hα-helixtrans-62.3-42.7173.400000111.6L178 K195 D196 A201 G202 E203L178-A199 HydrophobicContact CD1-CB 4.4Å; K195-A199 WeakPolarHBondContact O-CB 3.38Å; K195-A199 PolarHBondContact O-N 3.18Å; D196-A199 PolarHBondContact O-N 3.28Å; A199-A201 PolarHBondContact O-N 3.13Å; A199-G202 CarbonylContact O-C 3.55Å; A199-G202 WeakPolarHBondContact O-CA 3.39Å; A199-G202 PolarHBondContact O-N 3.32Å; A199-E203 PolarHBondContact O-N 3.22Å
200E98.4Very high98.1Very high83 Ų8339.7 Ų39.739%0.38821%0.213SC..Hα-helixtrans-62.5-41.2174.6-175.8176.617800112V26 D196 G202 E203 N204V26-E200 HydrophobicContact CG1-CG 3.98Å; V26-E200 WeakPolarHBondContact CG1-OE1 3.43Å; V26-E200 HydrophobicContact CG2-CB 3.92Å; V26-E200 HydrophobicContact CG2-CG 3.89Å; D196-E200 PolarHBondContact O-N 3.4Å; E200-G202 PolarHBondContact O-N 3.1Å; E200-E203 PolarHBondContact O-N 2.84Å; E200-N204 PolarHBondContact O-N 3.21Å
201A98.5Very high98.1Very high1 Ų141.7 Ų41.71%0.00822%0.223CC..Hα-helixtrans-61.2-32.917100000112.3M25 W173 L197 L198 A199 N204 Y205M25-A201 HydrophobicContact CB-CB 3.86Å; W173-A201 HydrophobicContact CH2-CB 4.43Å; L197-A201 PolarHBondContact O-N 2.89Å; L198-A201 PolarHBondContact O-N 3.4Å; A199-A201 PolarHBondContact O-N 3.13Å; A201-N204 PolarHBondContact O-N 3.36Å; A201-Y205 PolarHBondContact O-N 2.88Å
202G98.7Very high98.2Very high0 Ų044.7 Ų44.70%024%0.242CC..Hα-helixtrans-67.3-40.717500000112.5L198 A199 E200 Y205 A206L198-G202 PolarHBondContact O-N 2.81Å; A199-G202 CarbonylContact O-C 3.55Å; A199-G202 WeakPolarHBondContact O-CA 3.39Å; A199-G202 PolarHBondContact O-N 3.32Å; E200-G202 PolarHBondContact O-N 3.1Å; G202-Y205 PolarHBondContact O-N 3.13Å; G202-A206 WeakPolarHBondContact O-CB 3.38Å; G202-A206 PolarHBondContact O-N 3.42Å
203E98.7Very high98.2Very high113 Ų11346.7 Ų46.753%0.52825%0.252SS..Hα-helixtrans-63.6-45.2172.9-68.8175.9176.900111.4A199 E200 Y205 A206 G207 L211A199-E203 PolarHBondContact O-N 3.22Å; E200-E203 PolarHBondContact O-N 2.84Å; E203-Y205 VanDerWaalsContact C-N 3.29Å; E203-Y205 PolarHBondContact O-N 3.28Å; E203-A206 PolarHBondContact O-N 2.78Å; E203-A206 VanDerWaalsContact O-N 3.15Å; E203-G207 PolarHBondContact O-N 3.18Å; E203-L211 HydrophobicContact CG-CD1 4.14Å; E203-L211 HydrophobicContact CG-CD2 4.32Å
204N98.5Very high98.2Very high50 Ų5048.8 Ų48.827%0.26727%0.266SS..Hα-helixtrans-58.9-40.3174.8-73.5-21.2000112.3V26 A108 P109 E200 A201V26-N204 PolarHBondContact O-ND2 2.93Å; A108-N204 HydrophobicContact CB-CB 4.31Å; P109-N204 HydrophobicContact CB-CB 4.45Å; E200-N204 PolarHBondContact O-N 3.21Å; A201-N204 PolarHBondContact O-N 3.36Å
205Y98.8Very high98.3Very high0 Ų049.2 Ų49.20%027%0.269CS..Hα-helixtrans-70.9-37.6175.5177.5-116.7000112.6Y77 T112 A113 T116 A201 G202 E203 G207 V216Y77-Y205 VanDerWaalsContact CB-CD2 3.45Å; Y77-Y205 HydrophobicContact CD1-CD1 4.04Å; Y77-Y205 AromaticContact CD1-CD2 3.85Å; Y77-Y205 HydrophobicContact CD1-CD2 3.85Å; Y77-Y205 AromaticContact CD1-CE1 3.83Å; Y77-Y205 HydrophobicContact CD1-CE1 3.83Å; Y77-Y205 AromaticContact CD1-CE2 3.62Å; Y77-Y205 HydrophobicContact CD1-CE2 3.62Å; Y77-Y205 HydrophobicContact CD1-CG 4.05Å; Y77-Y205 AromaticContact CD1-CZ 3.61Å; Y77-Y205 AromaticContact CD2-CD1 3.47Å; Y77-Y205 HydrophobicContact CD2-CD1 3.47Å; Y77-Y205 VanDerWaalsContact CD2-CD1 3.47Å; Y77-Y205 HydrophobicContact CD2-CD2 4.11Å; Y77-Y205 HydrophobicContact CD2-CE1 4.01Å; Y77-Y205 AromaticContact CD2-CG 3.52Å; Y77-Y205 HydrophobicContact CD2-CG 3.52Å; Y77-Y205 HydrophobicContact CE1-CD1 4.13Å; Y77-Y205 AromaticContact CE1-CE1 3.63Å; Y77-Y205 HydrophobicContact CE1-CE1 3.63Å; Y77-Y205 HydrophobicContact CE1-CE2 4.18Å; Y77-Y205 AromaticContact CE1-CZ 3.67Å; Y77-Y205 AromaticContact CE2-CD1 3.56Å; Y77-Y205 HydrophobicContact CE2-CD1 3.56Å; Y77-Y205 AromaticContact CE2-CE1 3.83Å; Y77-Y205 HydrophobicContact CE2-CE1 3.83Å; Y77-Y205 HydrophobicContact CE2-CG 4.13Å; Y77-Y205 AromaticContact CG-CD1 3.71Å; Y77-Y205 HydrophobicContact CG-CD1 3.71Å; Y77-Y205 AromaticContact CG-CD2 3.55Å; Y77-Y205 HydrophobicContact CG-CD2 3.55Å; Y77-Y205 HydrophobicContact CG-CE1 4Å; Y77-Y205 AromaticContact CG-CE2 3.85Å; Y77-Y205 HydrophobicContact CG-CE2 3.85Å; Y77-Y205 AromaticContact CG-CG 3.47Å; Y77-Y205 HydrophobicContact CG-CG 3.47Å; Y77-Y205 VanDerWaalsContact CG-CG 3.47Å; Y77-Y205 AromaticContact CZ-CD1 3.9Å; Y77-Y205 AromaticContact CZ-CE1 3.63Å; T112-Y205 CarbonylContact C-O 3.34Å; T112-Y205 VanDerWaalsContact CA-O 3.24Å; T112-Y205 WeakPolarHBondContact CA-O 3.5Å; T112-Y205 VanDerWaalsContact CB-O 3.3Å; T112-Y205 WeakPolarHBondContact CB-O 3.4Å; A113-Y205 HydrophobicContact CB-CD1 4.25Å; A113-Y205 HydrophobicContact CB-CE1 3.72Å; A113-Y205 HydrophobicContact CB-CE2 4.04Å; A113-Y205 PolarHBondContact N-O 2.84Å; T116-Y205 HydrophobicContact CG2-CE2 3.99Å; A201-Y205 PolarHBondContact O-N 2.88Å; G202-Y205 PolarHBondContact O-N 3.13Å; E203-Y205 VanDerWaalsContact C-N 3.29Å; E203-Y205 PolarHBondContact O-N 3.28Å; Y205-G207 VanDerWaalsContact C-N 3.33Å; Y205-G207 PolarHBondContact O-N 3.03Å; Y205-V216 HydrophobicContact CD1-CG1 4.39Å
206A98.8Very high98.4Very high2 Ų247.3 Ų47.32%0.01726%0.261CS..Hα-helixtrans-63.2-40179.200000112.2G202 E203 E208 L209 L211 V216G202-A206 WeakPolarHBondContact O-CB 3.38Å; G202-A206 PolarHBondContact O-N 3.42Å; E203-A206 PolarHBondContact O-N 2.78Å; E203-A206 VanDerWaalsContact O-N 3.15Å; A206-E208 PolarHBondContact O-N 3.35Å; A206-L209 PolarHBondContact O-N 2.87Å; A206-L211 HydrophobicContact CB-CD2 3.77Å; A206-V216 HydrophobicContact CB-CG1 3.76Å; A206-V216 HydrophobicContact CB-CG2 3.98Å
207G98Very high98.5Very high35 Ų3542.5 Ų42.536%0.36124%0.235SC..THydrogen-bonded Turntrans62.5-122-171.300000110.4E203 Y205E203-G207 PolarHBondContact O-N 3.18Å; Y205-G207 VanDerWaalsContact C-N 3.33Å; Y205-G207 PolarHBondContact O-N 3.03Å
208E97.9Very high98.5Very high177 Ų17740.8 Ų40.883%0.82723%0.226SC*.THydrogen-bonded Turntrans-85.3-9.6-179.8-59.1-60.5142.700113.3A206A206-E208 PolarHBondContact O-N 3.35Å
209L98.6Very high98.5Very high32 Ų3240.8 Ų40.817%0.16823%0.226CC..SBendtrans-72.5144.8178.4-68.4-180000111.1A113 E114 A206 L211 D213 M215 V216A113-L209 HydrophobicContact CB-CD1 4.16Å; E114-L209 HydrophobicContact CG-CD1 3.6Å; E114-L209 HydrophobicContact CG-CD2 4.03Å; E114-L209 HydrophobicContact CG-CG 3.63Å; A206-L209 PolarHBondContact O-N 2.87Å; L209-L211 PolarHBondContact O-N 2.86Å; L209-D213 HydrophobicContact CB-CB 4.29Å; L209-M215 HydrophobicContact CD1-CB 4.2Å; L209-M215 HydrophobicContact CD1-SD 4.44Å; L209-V216 HydrophobicContact CB-CG2 3.86Å; L209-V216 HydrophobicContact CD1-CG2 3.93Å
210P98.5Very high98.6Very high76 Ų7643.3 Ų43.349%0.49423%0.232SC..  trans-62.2142.3169.826.6-31.4000109.7T212 D213P210-T212 PolarHBondContact O-N 3.17Å; P210-D213 HydrophobicContact CG-CB 4.12Å; P210-D213 VanDerWaalsContact O-CB 3.26Å; P210-D213 WeakPolarHBondContact O-CB 3.48Å; P210-D213 PolarHBondContact O-N 3.36Å
211L98.6Very high98.5Very high46 Ų4639.6 Ų39.624%0.24122%0.216CC..THydrogen-bonded Turntrans-58.9-14.5177.1-69.2172.7000113.7A176 E203 A206 L209 V216 S217A176-L211 HydrophobicContact CB-CD2 3.89Å; E203-L211 HydrophobicContact CG-CD1 4.14Å; E203-L211 HydrophobicContact CG-CD2 4.32Å; A206-L211 HydrophobicContact CB-CD2 3.77Å; L209-L211 PolarHBondContact O-N 2.86Å; L211-V216 HydrophobicContact CD2-CG1 4.22Å; L211-S217 WeakPolarHBondContact O-CB 3.46Å; L211-S217 PolarHBondContact O-OG 2.81Å
212T98.6Very high98.5Very high80 Ų8043.2 Ų43.249%0.49124%0.235SC..THydrogen-bonded Turntrans-90.6-3.5175.454.10000113.8P210 Y220P210-T212 PolarHBondContact O-N 3.17Å; T212-Y220 HydrophobicContact CG2-CD2 4.27Å; T212-Y220 HydrophobicContact CG2-CE1 4.38Å; T212-Y220 HydrophobicContact CG2-CE2 3.96Å; T212-Y220 VanDerWaalsContact O-CB 3.3Å; T212-Y220 WeakPolarHBondContact O-CB 3.39Å
213D98.8Very high98.5Very high44 Ų4443.4 Ų43.424%0.23524%0.236CC..SBendtrans-63.6130.7174.7-166.3-68.5000110.1L209 P210 M215 V216 S217L209-D213 HydrophobicContact CB-CB 4.29Å; P210-D213 HydrophobicContact CG-CB 4.12Å; P210-D213 VanDerWaalsContact O-CB 3.26Å; P210-D213 WeakPolarHBondContact O-CB 3.48Å; P210-D213 PolarHBondContact O-N 3.36Å; D213-M215 PolarHBondContact O-N 3.06Å; D213-M215 VanDerWaalsContact O-N 3.11Å; D213-M215 WeakPolarHBondContact OD1-CB 3.41Å; D213-M215 PolarHBondContact OD1-N 3.21Å; D213-V216 HydrophobicContact CB-CG2 4.33Å; D213-V216 WeakPolarHBondContact O-CA 3.37Å; D213-V216 PolarHBondContact O-N 3.03Å; D213-S217 PolarHBondContact O-N 3.26Å
214P98.4Very high98.5Very high48 Ų4840.2 Ų40.231%0.31222%0.223SC..THydrogen-bonded Turntrans-59-19.4178.5-26.436.1000116S150 V216S150-P214 WeakPolarHBondContact CB-O 3.48Å; S150-P214 PolarHBondContact OG-O 3.09Å; P214-V216 VanDerWaalsContact C-N 3.26Å
215M98.1Very high98.4Very high47 Ų4743.5 Ų43.523%0.23224%0.236CC..THydrogen-bonded Turntrans-69.6-26.5171.2-67.8177.666.700112.5A113 V117 P118 L209 D213A113-M215 HydrophobicContact CB-CB 4.43Å; A113-M215 WeakPolarHBondContact O-CE 3.13Å; V117-M215 HydrophobicContact CB-CE 3.76Å; V117-M215 HydrophobicContact CG1-CE 4.16Å; V117-M215 HydrophobicContact CG1-CG 4.49Å; V117-M215 HydrophobicContact CG2-CB 4.21Å; V117-M215 HydrophobicContact CG2-CE 4.32Å; P118-M215 HydrophobicContact CG-CE 4.25Å; L209-M215 HydrophobicContact CD1-CB 4.2Å; L209-M215 HydrophobicContact CD1-SD 4.44Å; D213-M215 PolarHBondContact O-N 3.06Å; D213-M215 VanDerWaalsContact O-N 3.11Å; D213-M215 WeakPolarHBondContact OD1-CB 3.41Å; D213-M215 PolarHBondContact OD1-N 3.21Å
216V98.8Very high98.4Very high1 Ų143.8 Ų43.81%0.00624%0.238CC..THydrogen-bonded Turntrans-97.9-50.1179.3-178.20000110.4A113 A176 Y205 A206 L209 L211 D213 P214A113-V216 HydrophobicContact CB-CG2 3.77Å; A176-V216 HydrophobicContact CB-CG1 3.62Å; Y205-V216 HydrophobicContact CD1-CG1 4.39Å; A206-V216 HydrophobicContact CB-CG1 3.76Å; A206-V216 HydrophobicContact CB-CG2 3.98Å; L209-V216 HydrophobicContact CB-CG2 3.86Å; L209-V216 HydrophobicContact CD1-CG2 3.93Å; L211-V216 HydrophobicContact CD2-CG1 4.22Å; D213-V216 HydrophobicContact CB-CG2 4.33Å; D213-V216 WeakPolarHBondContact O-CA 3.37Å; D213-V216 PolarHBondContact O-N 3.03Å; P214-V216 VanDerWaalsContact C-N 3.26Å
217S98.9Very high98.3Very high0 Ų044.9 Ų44.90%025%0.25CC..  trans-126.485.6-174.8-67.90000110.2L174 A176 L211 D213 I219 Y220L174-S217 CarbonylContact O-C 3.44Å; L174-S217 WeakPolarHBondContact O-CA 3.43Å; L174-S217 WeakPolarHBondContact O-CB 3.32Å; A176-S217 WeakPolarHBondContact CB-OG 3.45Å; A176-S217 PolarHBondContact N-OG 3.32Å; L211-S217 WeakPolarHBondContact O-CB 3.46Å; L211-S217 PolarHBondContact O-OG 2.81Å; D213-S217 PolarHBondContact O-N 3.26Å; S217-I219 PolarHBondContact O-N 3.09Å; S217-Y220 WeakPolarHBondContact O-CD2 3.1Å; S217-Y220 PolarHBondContact O-N 3.43Å; S217-Y220 VanDerWaalsContact O-N 3.09Å
218P98.8Very high98.4Very high0 Ų047.6 Ų47.60%025%0.253CS..G310 helixtrans-60.8-13.9-176.224.8-36000113.8G146 M149 Q153 L174 Y220 G221 F223G146-P218 WeakPolarHBondContact O-CG 3.42Å; M149-P218 HydrophobicContact CB-CB 3.66Å; M149-P218 HydrophobicContact CB-CG 3.82Å; Q153-P218 PolarHBondContact NE2-O 3.12Å; L174-P218 HydrophobicContact CD2-CG 3.96Å; L174-P218 WeakPolarHBondContact O-CD 3.3Å; P218-Y220 PolarHBondContact O-N 3.31Å; P218-Y220 VanDerWaalsContact O-N 3.13Å; P218-G221 PolarHBondContact O-N 3.4Å; P218-F223 WeakPolarHBondContact O-CZ 3.13Å
219I98.7Very high98.4Very high2 Ų239.2 Ų39.21%0.0121%0.214CC..G310 helixtrans-57.1-25.4173.3-16058000113L174 D175 S217 F223 R245 L246 R249L174-I219 HydrophobicContact CB-CB 4Å; L174-I219 HydrophobicContact CD1-CD1 4.42Å; L174-I219 WeakPolarHBondContact O-CB 3.19Å; L174-I219 WeakPolarHBondContact O-CG2 3.2Å; L174-I219 PolarHBondContact O-N 2.94Å; D175-I219 HydrophobicContact CB-CG2 3.89Å; S217-I219 PolarHBondContact O-N 3.09Å; I219-F223 HydrophobicContact CD1-CZ 4.36Å; I219-R245 HydrophobicContact CD1-CB 3.94Å; I219-R245 HydrophobicContact CG1-CB 4.31Å; I219-L246 HydrophobicContact CD1-CB 4.27Å; I219-R249 HydrophobicContact CD1-CG 4.39Å; I219-R249 PolarHBondContact O-NE 2.9Å; I219-R249 PolarHBondContact O-NH1 3.23Å; I219-R249 PolarHBondContact O-NH2 3.44Å
220Y98.6Very high98.4Very high72 Ų7237.8 Ų37.828%0.28221%0.206SC..G310 helixtrans-88.1-13.9178.9-60.2-70.9000113.3D175 S179 T212 S217 P218 R245 R249D175-Y220 PolarHBondContact OD2-OH 2.99Å; S179-Y220 PolarHBondContact OG-OH 3.26Å; T212-Y220 HydrophobicContact CG2-CD2 4.27Å; T212-Y220 HydrophobicContact CG2-CE1 4.38Å; T212-Y220 HydrophobicContact CG2-CE2 3.96Å; T212-Y220 VanDerWaalsContact O-CB 3.3Å; T212-Y220 WeakPolarHBondContact O-CB 3.39Å; S217-Y220 WeakPolarHBondContact O-CD2 3.1Å; S217-Y220 PolarHBondContact O-N 3.43Å; S217-Y220 VanDerWaalsContact O-N 3.09Å; P218-Y220 PolarHBondContact O-N 3.31Å; P218-Y220 VanDerWaalsContact O-N 3.13Å; Y220-R245 PolarHBondContact OH-NH2 2.97Å; Y220-R249 PolarHBondContact O-NH2 3.27Å
221G98.2Very high98.4Very high6 Ų634.1 Ų34.16%0.06218%0.182CC..SBendtrans-77.8169.7-179.200000115.3P218 F223 R249P218-G221 PolarHBondContact O-N 3.4Å; G221-F223 VanDerWaalsContact O-CD2 3.24Å; G221-F223 WeakPolarHBondContact O-CD2 3.49Å; G221-F223 VanDerWaalsContact O-CE2 3.3Å; G221-F223 WeakPolarHBondContact O-CE2 3.14Å; G221-R249 PolarHBondContact O-NH2 2.94Å
222N98.1Very high98.5Very high76 Ų7632 Ų3241%0.40617%0.171SC..  trans-74.7136175.8179-6.2000109.9Q153 R156 D224Q153-N222 WeakPolarHBondContact CG-O 3.5Å; R156-N222 VanDerWaalsContact NH1-CG 3.35Å; R156-N222 PolarHBondContact NH1-O 3.33Å; R156-N222 PolarHBondContact NH1-OD1 3.05Å; N222-D224 PolarHBondContact ND2-OD2 3.03Å; N222-D224 WeakPolarHBondContact OD1-CB 3.34Å; N222-D224 PolarHBondContact OD1-N 3.09Å; N222-D224 PolarHBondContact OD1-OD2 3.43Å; N222-D224 VanDerWaalsContact OD1-OD2 3.13Å
223F98.5Very high98.5Very high5 Ų528.1 Ų28.12%0.02215%0.148CC..  trans-106.69.5-179.7-69.2-82.3000115M149 P218 I219 G221 L226 L246 R249 I250 S253 T256M149-F223 HydrophobicContact CE-CD1 3.78Å; M149-F223 HydrophobicContact CE-CE1 3.61Å; P218-F223 WeakPolarHBondContact O-CZ 3.13Å; I219-F223 HydrophobicContact CD1-CZ 4.36Å; G221-F223 VanDerWaalsContact O-CD2 3.24Å; G221-F223 WeakPolarHBondContact O-CD2 3.49Å; G221-F223 VanDerWaalsContact O-CE2 3.3Å; G221-F223 WeakPolarHBondContact O-CE2 3.14Å; F223-L226 HydrophobicContact CB-CD1 4.45Å; F223-L226 HydrophobicContact CD1-CD1 4.01Å; F223-L246 HydrophobicContact CD1-CD1 3.8Å; F223-L246 HydrophobicContact CE1-CD1 3.2Å; F223-L246 HydrophobicContact CZ-CD1 3.63Å; F223-R249 HydrophobicContact CD2-CB 3.78Å; F223-R249 HydrophobicContact CD2-CG 4.41Å; F223-R249 HydrophobicContact CE2-CB 3.91Å; F223-R249 HydrophobicContact CE2-CG 4.15Å; F223-R249 HydrophobicContact CG-CB 4.49Å; F223-I250 HydrophobicContact CB-CD1 3.6Å; F223-I250 HydrophobicContact CD1-CD1 3.58Å; F223-I250 HydrophobicContact CE1-CD1 4.46Å; F223-I250 HydrophobicContact CG-CD1 3.78Å; F223-S253 PolarHBondContact O-OG 3.34Å; F223-T256 WeakPolarHBondContact O-CB 3.21Å; F223-T256 PolarHBondContact O-OG1 3.15Å
224D98.2Very high98.5Very high46 Ų4626 Ų2625%0.24614%0.136CC..THydrogen-bonded Turntrans-69.5150.6175.7-62-30.3000111.1R156 N222 L226 S253 Q254R156-D224 WeakPolarHBondContact CD-O 3.33Å; R156-D224 PolarHBondContact NH1-O 3.13Å; R156-D224 VanDerWaalsContact NH1-O 3.1Å; N222-D224 PolarHBondContact ND2-OD2 3.03Å; N222-D224 WeakPolarHBondContact OD1-CB 3.34Å; N222-D224 PolarHBondContact OD1-N 3.09Å; N222-D224 PolarHBondContact OD1-OD2 3.43Å; N222-D224 VanDerWaalsContact OD1-OD2 3.13Å; D224-L226 VanDerWaalsContact C-N 3.31Å; D224-L226 PolarHBondContact O-N 3.09Å; D224-S253 VanDerWaalsContact OD1-CA 3.26Å; D224-S253 WeakPolarHBondContact OD1-CA 3.21Å; D224-S253 VanDerWaalsContact OD1-CB 3.23Å; D224-S253 WeakPolarHBondContact OD1-CB 3.42Å; D224-Q254 CarbonylContact C-O 3.53Å; D224-Q254 WeakPolarHBondContact CA-O 3.49Å; D224-Q254 PolarHBondContact OD1-N 3.46Å
225Q97.2Very high98.5Very high118 Ų11824.2 Ų24.255%0.55112%0.124SC*.THydrogen-bonded Turntrans55.137.1168.4-52.5-61.8-4100115R156 Q254 T256R156-Q225 HydrophobicContact CG-CB 4.21Å; Q225-Q254 PolarHBondContact N-O 3.17Å; Q225-Q254 PolarHBondContact NE2-O 3.42Å; Q225-T256 PolarHBondContact N-OG1 3.27Å
226L98Very high98.5Very high7 Ų723 Ų234%0.03712%0.119CC..  trans-97.9-3.8176.8-54.6-174.7000113.1M149 A152 Q153 R156 I167 F223 D224 L229 T256M149-L226 HydrophobicContact CE-CD1 3.51Å; A152-L226 HydrophobicContact CB-CD2 4.21Å; Q153-L226 HydrophobicContact CG-CD1 4.14Å; R156-L226 HydrophobicContact CB-CD2 4.21Å; I167-L226 HydrophobicContact CD1-CB 4.36Å; F223-L226 HydrophobicContact CB-CD1 4.45Å; F223-L226 HydrophobicContact CD1-CD1 4.01Å; D224-L226 VanDerWaalsContact C-N 3.31Å; D224-L226 PolarHBondContact O-N 3.09Å; L226-L229 HydrophobicContact CB-CD1 4.34Å; L226-T256 HydrophobicContact CB-CG2 3.9Å; L226-T256 PolarHBondContact N-OG1 3.33Å
227G97.2Very high98.5Very high25 Ų2522.9 Ų22.926%0.25812%0.118SC..EExtended strand (participates in β ladder)trans83.3-137.1179.300000112.9G255 T256 T257G227-G255 PolarHBondContact N-O 3.28Å; G227-T256 CarbonylContact O-C 3.57Å; G227-T256 VanDerWaalsContact O-CA 3.23Å; G227-T256 WeakPolarHBondContact O-CA 3.34Å; G227-T257 PolarHBondContact O-N 2.74Å
228E98.7Very high98.4Very high91 Ų9122.9 Ų22.943%0.42512%0.118SC..EExtended strand (participates in β ladder)trans-103.1129.5-176.5-59.8177.6-101.200111K165 K166 I167 F288K165-E228 PolarHBondContact O-N 3.2Å; K165-E228 VanDerWaalsContact O-N 3.16Å; K166-E228 CarbonylContact C-O 3.49Å; K166-E228 VanDerWaalsContact CA-O 3.31Å; K166-E228 WeakPolarHBondContact CA-O 3.21Å; K166-E228 HydrophobicContact CG-CB 4.36Å; I167-E228 PolarHBondContact N-O 3.29Å; E228-F288 HydrophobicContact CB-CE2 4.12Å; E228-F288 HydrophobicContact CB-CZ 3.87Å; E228-F288 WeakPolarHBondContact O-CZ 3.44Å
229L98.9Very high98.4Very high2 Ų222.9 Ų22.91%0.0112%0.118CC..EExtended strand (participates in β ladder)trans-105.9136.1173.6-81.163.1000110.5M149 I167 L226 I250 T256 T257 M258 R259M149-L229 HydrophobicContact CE-CD2 4.29Å; M149-L229 HydrophobicContact SD-CD2 3.96Å; I167-L229 HydrophobicContact CB-CD1 4.27Å; I167-L229 HydrophobicContact CB-CG 4.17Å; I167-L229 HydrophobicContact CD1-CD1 4.2Å; I167-L229 CarbonylContact O-C 3.6Å; I167-L229 VanDerWaalsContact O-CA 3.24Å; I167-L229 WeakPolarHBondContact O-CA 3.43Å; L226-L229 HydrophobicContact CB-CD1 4.34Å; L229-I250 HydrophobicContact CD2-CD1 4.21Å; L229-I250 HydrophobicContact CD2-CG1 4.39Å; L229-T256 HydrophobicContact CD1-CG2 3.64Å; L229-T257 PolarHBondContact N-O 3.47Å; L229-M258 HydrophobicContact CB-CB 4.05Å; L229-M258 HydrophobicContact CB-CG 4.09Å; L229-M258 CarbonylContact O-C 3.6Å; L229-M258 WeakPolarHBondContact O-CA 3.44Å; L229-R259 PolarHBondContact O-N 3.23Å
230L98.9Very high98.4Very high1 Ų125 Ų251%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-114.8120.1160.717263.2000107.9I167 A168 L169 V232 R259 E261 Q284 I285 F288I167-L230 PolarHBondContact O-N 3.26Å; A168-L230 CarbonylContact C-O 3.55Å; A168-L230 VanDerWaalsContact CA-O 3.23Å; A168-L230 WeakPolarHBondContact CA-O 3.21Å; A168-L230 HydrophobicContact CB-CB 4.4Å; L169-L230 PolarHBondContact N-O 2.95Å; L230-V232 HydrophobicContact CG-CG2 4.44Å; L230-R259 WeakPolarHBondContact CA-O 3.35Å; L230-R259 HydrophobicContact CD1-CB 4.17Å; L230-R259 HydrophobicContact CD1-CG 4.02Å; L230-E261 HydrophobicContact CD1-CG 4.16Å; L230-Q284 HydrophobicContact CD2-CG 4.08Å; L230-I285 HydrophobicContact CD2-CG1 3.84Å; L230-F288 HydrophobicContact CB-CD1 3.7Å; L230-F288 HydrophobicContact CB-CD2 4.22Å; L230-F288 HydrophobicContact CB-CE1 3.68Å; L230-F288 HydrophobicContact CB-CE2 4.24Å; L230-F288 HydrophobicContact CB-CG 3.96Å; L230-F288 HydrophobicContact CB-CZ 3.97Å; L230-F288 HydrophobicContact CD2-CB 3.75Å; L230-F288 HydrophobicContact CD2-CD1 4.13Å; L230-F288 HydrophobicContact CD2-CG 3.91Å
231V99Very high98.4Very high0 Ų021.6 Ų21.60%011%0.113CC..EExtended strand (participates in β ladder)trans-116.8129.3176.5-175.10000109.3L169 P172 V243 L246 M258 R259 L260 E261L169-V231 HydrophobicContact CB-CG1 4.33Å; L169-V231 HydrophobicContact CB-CG2 4.13Å; L169-V231 HydrophobicContact CD1-CG2 4.02Å; L169-V231 HydrophobicContact CG-CG2 4.38Å; L169-V231 CarbonylContact O-C 3.18Å; L169-V231 WeakPolarHBondContact O-CA 3.37Å; P172-V231 HydrophobicContact CG-CG1 4.14Å; V231-V243 HydrophobicContact CG1-CG1 3.86Å; V231-V243 HydrophobicContact CG1-CG2 4.45Å; V231-L246 HydrophobicContact CG2-CD2 4.16Å; V231-M258 HydrophobicContact CB-CE 3.6Å; V231-M258 HydrophobicContact CG1-CE 4.2Å; V231-M258 HydrophobicContact CG2-CE 3.46Å; V231-M258 VanDerWaalsContact CG2-CE 3.46Å; V231-M258 HydrophobicContact CG2-CG 4.22Å; V231-M258 HydrophobicContact CG2-SD 4.25Å; V231-R259 PolarHBondContact N-O 2.59Å; V231-L260 HydrophobicContact CB-CD1 3.9Å; V231-L260 HydrophobicContact CG1-CD1 3.93Å; V231-L260 CarbonylContact O-C 3.58Å; V231-L260 WeakPolarHBondContact O-CA 3.46Å; V231-E261 PolarHBondContact O-N 2.6Å
232V98.9Very high98.5Very high0 Ų021.3 Ų21.30%011%0.11CC..EExtended strand (participates in β ladder)trans-117.8123.6174.4-173.30000108.1L169 A170 S171 L230 E261 V263 F270 V271 Y281 I285L169-V232 PolarHBondContact O-N 3.06Å; A170-V232 CarbonylContact C-O 3.5Å; A170-V232 WeakPolarHBondContact CA-O 3.46Å; S171-V232 PolarHBondContact N-O 3.11Å; L230-V232 HydrophobicContact CG-CG2 4.44Å; V232-E261 WeakPolarHBondContact CA-O 3.32Å; V232-E261 HydrophobicContact CB-CB 4.46Å; V232-E261 HydrophobicContact CG1-CB 4.27Å; V232-E261 HydrophobicContact CG2-CB 4.16Å; V232-E261 HydrophobicContact CG2-CG 4.46Å; V232-V263 HydrophobicContact CG1-CG2 4.33Å; V232-F270 HydrophobicContact CG1-CE1 3.99Å; V232-F270 HydrophobicContact CG1-CZ 3.72Å; V232-V271 HydrophobicContact CB-CG2 4.19Å; V232-V271 HydrophobicContact CG1-CG2 3.74Å; V232-Y281 HydrophobicContact CG1-CD1 3.63Å; V232-Y281 HydrophobicContact CG1-CE1 4.36Å; V232-Y281 HydrophobicContact CG1-CG 3.92Å; V232-Y281 HydrophobicContact CG2-CD1 4.48Å; V232-I285 HydrophobicContact CG2-CD1 4.27Å; V232-I285 HydrophobicContact CG2-CG1 4.44Å
233A98.9Very high98.5Very high0 Ų017.7 Ų17.70%09%0.091CC..EExtended strand (participates in β ladder)trans-143150.1-179.700000111.6Y240 V243 E261 V262 V263A233-Y240 HydrophobicContact CB-CD2 4.38Å; A233-V243 HydrophobicContact CB-CB 4.48Å; A233-V243 HydrophobicContact CB-CG1 4.16Å; A233-V243 HydrophobicContact CB-CG2 4.02Å; A233-E261 PolarHBondContact N-O 2.6Å; A233-V262 WeakPolarHBondContact O-CA 3.36Å; A233-V263 PolarHBondContact O-N 2.85Å
234G98.6Very high98.5Very high0 Ų019.5 Ų19.50%010%0.101CC..EExtended strand (participates in β ladder)trans-84.7162.3169.500000112E237 V263 M266G234-E237 PolarHBondContact N-OE1 3.37Å; G234-E237 WeakPolarHBondContact O-CG 3.43Å; G234-V263 WeakPolarHBondContact CA-O 3.24Å; G234-M266 WeakPolarHBondContact CA-O 3.38Å
235T98.6Very high98.5Very high9 Ų920 Ų206%0.05510%0.099CC..EExtended strand (participates in β ladder)trans-90.9-14.1173.962.20000113.8L186 E237 Y240 V262 V263 E264 G265 M266L186-T235 WeakPolarHBondContact CD2-O 3.34Å; T235-E237 PolarHBondContact O-N 2.73Å; T235-Y240 HydrophobicContact CG2-CE1 4.19Å; T235-V262 HydrophobicContact CG2-CG1 3.3Å; T235-V263 PolarHBondContact N-O 2.93Å; T235-E264 WeakPolarHBondContact OG1-CA 3.43Å; T235-E264 VanDerWaalsContact OG1-CD 3.29Å; T235-E264 PolarHBondContact OG1-OE1 3.01Å; T235-G265 PolarHBondContact OG1-N 2.87Å; T235-M266 PolarHBondContact N-O 2.83Å
236D98.1Very high98.6Very high21 Ų2114.3 Ų14.311%0.1127%0.073CC..EExtended strand (participates in β ladder)trans-99.148.6178.8-72.5-1000111.1K9 K189 M266K9-D236 IonicContact NZ-OD2 2.7Å; K9-D236 PolarHBondContact NZ-OD2 3.45Å; K189-D236 HydrophobicContact CB-CB 4.08Å; K189-D236 WeakPolarHBondContact CD-OD1 3.5Å; K189-D236 IonicContact NZ-OD1 2.81Å; D236-M266 WeakPolarHBondContact CA-O 3.48Å; D236-M266 WeakPolarHBondContact CB-O 3.2Å; D236-M266 PolarHBondContact N-O 3.1Å
237E98.5Very high98.6Very high0 Ų016.8 Ų16.80%08%0.084CC..SBendtrans-143.1145.6176.861.4177.6121.700113.2S171 L186 D190 G234 T235 L239 Y240 H268S171-E237 WeakPolarHBondContact CB-OE1 3.44Å; S171-E237 WeakPolarHBondContact CB-OE2 3.02Å; S171-E237 VanDerWaalsContact OG-CD 3.29Å; S171-E237 PolarHBondContact OG-OE1 2.9Å; S171-E237 PolarHBondContact OG-OE2 2.9Å; L186-E237 WeakPolarHBondContact CD1-O 3.49Å; D190-E237 WeakPolarHBondContact OD2-CA 3.14Å; G234-E237 PolarHBondContact N-OE1 3.37Å; G234-E237 WeakPolarHBondContact O-CG 3.43Å; T235-E237 PolarHBondContact O-N 2.73Å; E237-L239 PolarHBondContact O-N 2.79Å; E237-Y240 WeakPolarHBondContact O-CB 3.45Å; E237-Y240 PolarHBondContact O-N 3.22Å; E237-H268 HydrophobicContact CB-CB 3.75Å; E237-H268 IonicContact OE2-CE1 2.7Å; E237-H268 IonicContact OE2-CG 3.76Å; E237-H268 IonicContact OE2-ND1 2.67Å; E237-H268 PolarHBondContact OE2-ND1 2.95Å
238I98.6Very high98.7Very high0 Ų018.9 Ų18.90%09%0.089CC..THydrogen-bonded Turntrans-70.9-13.6-176.565177.6000114.1L178 S183 L186 Q187 D190 L193 K195 L198 P241L178-I238 HydrophobicContact CD1-CD1 4.18Å; L178-I238 HydrophobicContact CD2-CD1 4.46Å; S183-I238 WeakPolarHBondContact CB-O 3.27Å; S183-I238 PolarHBondContact OG-O 2.85Å; L186-I238 HydrophobicContact CB-CG2 4.4Å; Q187-I238 HydrophobicContact CB-CG2 4.12Å; D190-I238 HydrophobicContact CB-CG2 3.87Å; D190-I238 PolarHBondContact OD2-N 3.24Å; L193-I238 HydrophobicContact CB-CD1 3.57Å; L193-I238 HydrophobicContact CB-CG1 3.81Å; L193-I238 HydrophobicContact CD1-CD1 4.3Å; L193-I238 HydrophobicContact CD1-CG1 3.85Å; K195-I238 HydrophobicContact CB-CD1 4.1Å; L198-I238 HydrophobicContact CD2-CD1 3.97Å; I238-P241 WeakPolarHBondContact O-CD 3.3Å
239L98.8Very high98.7Very high0 Ų018.8 Ų18.80%09%0.085CC..THydrogen-bonded Turntrans-87-14.1178-57.8-174.4000113.4S171 W173 L178 L193 L198 E237 P241 D242 V243 H268S171-L239 WeakPolarHBondContact O-CD1 3.28Å; W173-L239 HydrophobicContact CB-CD1 3.76Å; W173-L239 HydrophobicContact CB-CD2 4.27Å; W173-L239 VanDerWaalsContact CD1-CD2 3.44Å; W173-L239 HydrophobicContact CG-CD1 4.23Å; W173-L239 HydrophobicContact CG-CD2 3.93Å; L178-L239 HydrophobicContact CD2-CD2 3.45Å; L178-L239 VanDerWaalsContact CD2-CD2 3.45Å; L193-L239 HydrophobicContact CD1-CD1 3.93Å; L193-L239 HydrophobicContact CD1-CD2 4.49Å; L193-L239 HydrophobicContact CD1-CG 3.81Å; L198-L239 HydrophobicContact CD2-CD2 4.03Å; E237-L239 PolarHBondContact O-N 2.79Å; L239-P241 VanDerWaalsContact C-CD 3.4Å; L239-D242 PolarHBondContact O-N 2.85Å; L239-D242 VanDerWaalsContact O-N 3.09Å; L239-V243 PolarHBondContact O-N 3.11Å; L239-H268 WeakPolarHBondContact CD1-CE1 3.41Å
240Y98.8Very high98.7Very high45 Ų4519 Ų1918%0.1769%0.086CC..Hα-helixtrans-56-38.5-179.3179.4-122.5000114.5L186 A233 T235 E237 D242 V243 L244 V262L186-Y240 HydrophobicContact CD1-CD1 4.36Å; A233-Y240 HydrophobicContact CB-CD2 4.38Å; T235-Y240 HydrophobicContact CG2-CE1 4.19Å; E237-Y240 WeakPolarHBondContact O-CB 3.45Å; E237-Y240 PolarHBondContact O-N 3.22Å; Y240-D242 VanDerWaalsContact C-N 3.25Å; Y240-D242 PolarHBondContact O-N 2.77Å; Y240-V243 HydrophobicContact CD2-CB 4.41Å; Y240-V243 WeakPolarHBondContact O-CB 3.3Å; Y240-V243 PolarHBondContact O-N 3.27Å; Y240-V243 VanDerWaalsContact O-N 3.09Å; Y240-L244 HydrophobicContact CD1-CD1 4.46Å; Y240-L244 HydrophobicContact CE1-CD1 3.91Å; Y240-L244 HydrophobicContact CE1-CG 4.32Å; Y240-L244 HydrophobicContact CE2-CD2 4Å; Y240-L244 HydrophobicContact CE2-CG 4.16Å; Y240-L244 PolarHBondContact O-N 2.91Å; Y240-L244 VanDerWaalsContact O-N 3.15Å; Y240-V262 HydrophobicContact CE2-CB 4.48Å; Y240-V262 HydrophobicContact CE2-CG1 3.74Å; Y240-V262 HydrophobicContact CE2-CG2 3.9Å; Y240-V262 WeakPolarHBondContact OH-CG1 3.43Å
241P98.7Very high98.7Very high2 Ų225.6 Ų25.61%0.01312%0.115CC..Hα-helixtrans-56.8-36.9175.4-27.938.7000113.7D180 R182 L186 I238 L239 L244 R245D180-P241 HydrophobicContact CB-CB 3.91Å; R182-P241 HydrophobicContact CB-CB 4.07Å; R182-P241 HydrophobicContact CB-CG 3.71Å; R182-P241 PolarHBondContact NH2-O 2.86Å; L186-P241 HydrophobicContact CD1-CG 3.73Å; I238-P241 WeakPolarHBondContact O-CD 3.3Å; L239-P241 VanDerWaalsContact C-CD 3.4Å; P241-L244 WeakPolarHBondContact O-CB 3.42Å; P241-L244 PolarHBondContact O-N 3.34Å; P241-R245 WeakPolarHBondContact O-CG 3.48Å; P241-R245 PolarHBondContact O-N 3.1Å
242D98.7Very high98.6Very high0 Ų034.9 Ų34.90%015%0.15CC..Hα-helixtrans-73.9-29.7177.5-76.4-14.3000112.7L174 D175 L239 Y240 L244 R245 L246L174-D242 HydrophobicContact CB-CB 4.18Å; L174-D242 HydrophobicContact CD1-CB 4.27Å; D175-D242 WeakPolarHBondContact CB-OD2 3.49Å; D175-D242 PolarHBondContact N-OD2 3.19Å; L239-D242 PolarHBondContact O-N 2.85Å; L239-D242 VanDerWaalsContact O-N 3.09Å; Y240-D242 VanDerWaalsContact C-N 3.25Å; Y240-D242 PolarHBondContact O-N 2.77Å; D242-L244 VanDerWaalsContact C-N 3.27Å; D242-L244 PolarHBondContact O-N 3.41Å; D242-R245 PolarHBondContact O-N 2.88Å; D242-R245 VanDerWaalsContact OD1-CD 3.3Å; D242-R245 WeakPolarHBondContact OD1-CD 3.06Å; D242-R245 IonicContact OD1-CZ 2.68Å; D242-R245 IonicContact OD1-NE 3.07Å; D242-R245 IonicContact OD1-NH1 2.98Å; D242-R245 PolarHBondContact OD1-NH1 3.21Å; D242-L246 WeakPolarHBondContact O-CB 3.37Å; D242-L246 PolarHBondContact O-N 2.79Å
243V98.9Very high98.6Very high0 Ų035.9 Ų35.90%016%0.157CC..Hα-helixtrans-62.3-38.31701750000110.9P172 V231 A233 L239 Y240 L246 Q247 M258 L260P172-V243 HydrophobicContact CG-CG2 4.09Å; V231-V243 HydrophobicContact CG1-CG1 3.86Å; V231-V243 HydrophobicContact CG1-CG2 4.45Å; A233-V243 HydrophobicContact CB-CB 4.48Å; A233-V243 HydrophobicContact CB-CG1 4.16Å; A233-V243 HydrophobicContact CB-CG2 4.02Å; L239-V243 PolarHBondContact O-N 3.11Å; Y240-V243 HydrophobicContact CD2-CB 4.41Å; Y240-V243 WeakPolarHBondContact O-CB 3.3Å; Y240-V243 PolarHBondContact O-N 3.27Å; Y240-V243 VanDerWaalsContact O-N 3.09Å; V243-L246 WeakPolarHBondContact O-CB 3.47Å; V243-L246 PolarHBondContact O-N 2.81Å; V243-Q247 PolarHBondContact O-N 3.41Å; V243-M258 HydrophobicContact CG1-CE 4.49Å; V243-L260 HydrophobicContact CG1-CD1 3.37Å; V243-L260 HydrophobicContact CG1-CD2 4.15Å; V243-L260 HydrophobicContact CG1-CG 4.43Å
244L98.7Very high98.5Very high43 Ų4342.7 Ų42.723%0.22519%0.189CC..Hα-helixtrans-68.3-42.5173.5-61.3179.5000111.8Y240 P241 D242 L246 Q247 D248 L260Y240-L244 HydrophobicContact CD1-CD1 4.46Å; Y240-L244 HydrophobicContact CE1-CD1 3.91Å; Y240-L244 HydrophobicContact CE1-CG 4.32Å; Y240-L244 HydrophobicContact CE2-CD2 4Å; Y240-L244 HydrophobicContact CE2-CG 4.16Å; Y240-L244 PolarHBondContact O-N 2.91Å; Y240-L244 VanDerWaalsContact O-N 3.15Å; P241-L244 WeakPolarHBondContact O-CB 3.42Å; P241-L244 PolarHBondContact O-N 3.34Å; D242-L244 VanDerWaalsContact C-N 3.27Å; D242-L244 PolarHBondContact O-N 3.41Å; L244-L246 VanDerWaalsContact C-N 3.29Å; L244-L246 PolarHBondContact O-N 3.07Å; L244-Q247 WeakPolarHBondContact O-CB 3.39Å; L244-Q247 PolarHBondContact O-N 3.21Å; L244-D248 PolarHBondContact O-N 2.86Å; L244-D248 VanDerWaalsContact O-N 3.14Å; L244-L260 HydrophobicContact CD2-CD2 4.44Å
245R98.6Very high98.5Very high55 Ų5545 Ų4521%0.20821%0.213CC..Hα-helixtrans-58.9-42173.5-70.3168.264.6-167.69.1111D175 D180 I219 Y220 P241 D242 D248 R249D175-R245 IonicContact OD2-CZ 2.79Å; D175-R245 IonicContact OD2-NH1 3.21Å; D175-R245 PolarHBondContact OD2-NH1 3.1Å; D175-R245 IonicContact OD2-NH2 3.15Å; D180-R245 WeakPolarHBondContact OD2-CD 3.33Å; I219-R245 HydrophobicContact CD1-CB 3.94Å; I219-R245 HydrophobicContact CG1-CB 4.31Å; Y220-R245 PolarHBondContact OH-NH2 2.97Å; P241-R245 WeakPolarHBondContact O-CG 3.48Å; P241-R245 PolarHBondContact O-N 3.1Å; D242-R245 PolarHBondContact O-N 2.88Å; D242-R245 VanDerWaalsContact OD1-CD 3.3Å; D242-R245 WeakPolarHBondContact OD1-CD 3.06Å; D242-R245 IonicContact OD1-CZ 2.68Å; D242-R245 IonicContact OD1-NE 3.07Å; D242-R245 IonicContact OD1-NH1 2.98Å; D242-R245 PolarHBondContact OD1-NH1 3.21Å; R245-D248 PolarHBondContact O-N 3.24Å; R245-R249 WeakPolarHBondContact O-CG 3.38Å; R245-R249 PolarHBondContact O-N 3.34Å
246L98.8Very high98.5Very high0 Ų045 Ų450%021%0.213CC..Hα-helixtrans-59.7-48.6175.8177.662.4000110.9L169 L174 I219 F223 V231 D242 V243 L244 D248 R249 I250 M258L169-L246 HydrophobicContact CD1-CD2 4.26Å; L174-L246 HydrophobicContact CD1-CB 3.74Å; L174-L246 HydrophobicContact CD1-CD2 3.79Å; L174-L246 HydrophobicContact CD1-CG 4.23Å; I219-L246 HydrophobicContact CD1-CB 4.27Å; F223-L246 HydrophobicContact CD1-CD1 3.8Å; F223-L246 HydrophobicContact CE1-CD1 3.2Å; F223-L246 HydrophobicContact CZ-CD1 3.63Å; V231-L246 HydrophobicContact CG2-CD2 4.16Å; D242-L246 WeakPolarHBondContact O-CB 3.37Å; D242-L246 PolarHBondContact O-N 2.79Å; V243-L246 WeakPolarHBondContact O-CB 3.47Å; V243-L246 PolarHBondContact O-N 2.81Å; L244-L246 VanDerWaalsContact C-N 3.29Å; L244-L246 PolarHBondContact O-N 3.07Å; L246-D248 VanDerWaalsContact C-N 3.26Å; L246-D248 PolarHBondContact O-N 3.08Å; L246-R249 WeakPolarHBondContact O-CB 3.33Å; L246-R249 PolarHBondContact O-N 3.39Å; L246-I250 HydrophobicContact CD1-CD1 4.04Å; L246-I250 HydrophobicContact CD1-CG1 4Å; L246-I250 HydrophobicContact CG-CG1 4.27Å; L246-I250 WeakPolarHBondContact O-CG1 3.47Å; L246-I250 PolarHBondContact O-N 2.67Å; L246-M258 HydrophobicContact CD2-CE 4.16Å; L246-M258 HydrophobicContact CD2-SD 4.24Å; L246-M258 HydrophobicContact CG-CE 4.32Å; L246-M258 HydrophobicContact CG-SD 4Å
247Q98.7Very high98.5Very high59 Ų5948 Ų4828%0.27623%0.232SC..Hα-helixtrans-54.5-44.9177.9-172.2-17182.300111.5V243 L244 I250 K251 M258 L260V243-Q247 PolarHBondContact O-N 3.41Å; L244-Q247 WeakPolarHBondContact O-CB 3.39Å; L244-Q247 PolarHBondContact O-N 3.21Å; Q247-I250 PolarHBondContact O-N 3.32Å; Q247-K251 WeakPolarHBondContact O-CG 3.49Å; Q247-K251 PolarHBondContact O-N 2.86Å; Q247-M258 HydrophobicContact CB-CE 4.23Å; Q247-M258 HydrophobicContact CB-SD 4.23Å; Q247-L260 HydrophobicContact CB-CD2 4.5Å
248D98.5Very high98.5Very high68 Ų6849.9 Ų49.936%0.36424%0.241SC..Hα-helixtrans-69.8-31.9178.9-72.2-18.6000113.2L244 R245 L246 K251 R252L244-D248 PolarHBondContact O-N 2.86Å; L244-D248 VanDerWaalsContact O-N 3.14Å; R245-D248 PolarHBondContact O-N 3.24Å; L246-D248 VanDerWaalsContact C-N 3.26Å; L246-D248 PolarHBondContact O-N 3.08Å; D248-K251 IonicContact OD1-NZ 3.05Å; D248-K251 PolarHBondContact OD1-NZ 2.95Å; D248-K251 VanDerWaalsContact OD1-NZ 3.11Å; D248-R252 WeakPolarHBondContact O-CG 3.06Å
249R98.6Very high98.5Very high89 Ų8957 Ų5734%0.33627%0.268SS..Hα-helixtrans-67.6-44.6172.7-66.4-86.7-73.5-145.33.8111I219 Y220 G221 F223 R245 L246 R252 S253I219-R249 HydrophobicContact CD1-CG 4.39Å; I219-R249 PolarHBondContact O-NE 2.9Å; I219-R249 PolarHBondContact O-NH1 3.23Å; I219-R249 PolarHBondContact O-NH2 3.44Å; Y220-R249 PolarHBondContact O-NH2 3.27Å; G221-R249 PolarHBondContact O-NH2 2.94Å; F223-R249 HydrophobicContact CD2-CB 3.78Å; F223-R249 HydrophobicContact CD2-CG 4.41Å; F223-R249 HydrophobicContact CE2-CB 3.91Å; F223-R249 HydrophobicContact CE2-CG 4.15Å; F223-R249 HydrophobicContact CG-CB 4.49Å; R245-R249 WeakPolarHBondContact O-CG 3.38Å; R245-R249 PolarHBondContact O-N 3.34Å; L246-R249 WeakPolarHBondContact O-CB 3.33Å; L246-R249 PolarHBondContact O-N 3.39Å; R249-R252 PolarHBondContact O-N 3.08Å; R249-R252 VanDerWaalsContact O-N 3.15Å; R249-S253 PolarHBondContact O-N 2.93Å
250I98.6Very high98.5Very high8 Ų858.5 Ų58.54%0.04128%0.276CS..Hα-helixtrans-64.9-39.8178.2-60.6-49.6000111.6F223 L229 L246 Q247 R252 S253 T256 M258F223-I250 HydrophobicContact CB-CD1 3.6Å; F223-I250 HydrophobicContact CD1-CD1 3.58Å; F223-I250 HydrophobicContact CE1-CD1 4.46Å; F223-I250 HydrophobicContact CG-CD1 3.78Å; L229-I250 HydrophobicContact CD2-CD1 4.21Å; L229-I250 HydrophobicContact CD2-CG1 4.39Å; L246-I250 HydrophobicContact CD1-CD1 4.04Å; L246-I250 HydrophobicContact CD1-CG1 4Å; L246-I250 HydrophobicContact CG-CG1 4.27Å; L246-I250 WeakPolarHBondContact O-CG1 3.47Å; L246-I250 PolarHBondContact O-N 2.67Å; Q247-I250 PolarHBondContact O-N 3.32Å; I250-R252 PolarHBondContact O-N 3.43Å; I250-S253 PolarHBondContact O-N 2.7Å; I250-S253 PolarHBondContact O-OG 2.79Å; I250-S253 VanDerWaalsContact O-OG 3.08Å; I250-T256 HydrophobicContact CD1-CG2 3.79Å; I250-T256 HydrophobicContact CG2-CG2 4.11Å; I250-M258 HydrophobicContact CB-CB 4.1Å; I250-M258 HydrophobicContact CB-SD 4.41Å; I250-M258 HydrophobicContact CG1-CB 4.08Å; I250-M258 HydrophobicContact CG1-SD 3.92Å; I250-M258 HydrophobicContact CG2-CB 3.7Å
251K98.2Very high98.5Very high138 Ų13858.5 Ų58.560%0.628%0.277SS*.THydrogen-bonded Turntrans-57.1-22.5175.2-75171.7-169.8153.10113.5Q247 D248Q247-K251 WeakPolarHBondContact O-CG 3.49Å; Q247-K251 PolarHBondContact O-N 2.86Å; D248-K251 IonicContact OD1-NZ 3.05Å; D248-K251 PolarHBondContact OD1-NZ 2.95Å; D248-K251 VanDerWaalsContact OD1-NZ 3.11Å
252R97.7Very high98.5Very high195 Ų19561.1 Ų61.174%0.73629%0.293SS*.THydrogen-bonded Turntrans-102.5-5.8-179.1-61.8173.4-168.1150.87.2113.2D248 R249 I250D248-R252 WeakPolarHBondContact O-CG 3.06Å; R249-R252 PolarHBondContact O-N 3.08Å; R249-R252 VanDerWaalsContact O-N 3.15Å; I250-R252 PolarHBondContact O-N 3.43Å
253S98.1Very high98.5Very high21 Ų2162 Ų6215%0.14730%0.298CS..SBendtrans-92.216618072.40000111.9F223 D224 R249 I250F223-S253 PolarHBondContact O-OG 3.34Å; D224-S253 VanDerWaalsContact OD1-CA 3.26Å; D224-S253 WeakPolarHBondContact OD1-CA 3.21Å; D224-S253 VanDerWaalsContact OD1-CB 3.23Å; D224-S253 WeakPolarHBondContact OD1-CB 3.42Å; R249-S253 PolarHBondContact O-N 2.93Å; I250-S253 PolarHBondContact O-N 2.7Å; I250-S253 PolarHBondContact O-OG 2.79Å; I250-S253 VanDerWaalsContact O-OG 3.08Å
254Q98.2Very high98.5Very high144 Ų14468.8 Ų68.867%0.67333%0.33SS*.SBendtrans-113138.2-179.8-64-174.3-14.600111.3D224 Q225 T256D224-Q254 CarbonylContact C-O 3.53Å; D224-Q254 WeakPolarHBondContact CA-O 3.49Å; D224-Q254 PolarHBondContact OD1-N 3.46Å; Q225-Q254 PolarHBondContact N-O 3.17Å; Q225-Q254 PolarHBondContact NE2-O 3.42Å; Q254-T256 PolarHBondContact O-N 3.03Å
255G97.6Very high98.4Very high49 Ų4967.7 Ų67.751%0.50533%0.329SS..SBendtrans69.215.317900000114.5G227G227-G255 PolarHBondContact N-O 3.28Å
256T98.7Very high98.4Very high9 Ų966.2 Ų66.26%0.05533%0.325CS..EExtended strand (participates in β ladder)trans-128.9134.3172.2-54.20000109.4F223 Q225 L226 G227 L229 I250 Q254F223-T256 WeakPolarHBondContact O-CB 3.21Å; F223-T256 PolarHBondContact O-OG1 3.15Å; Q225-T256 PolarHBondContact N-OG1 3.27Å; L226-T256 HydrophobicContact CB-CG2 3.9Å; L226-T256 PolarHBondContact N-OG1 3.33Å; G227-T256 CarbonylContact O-C 3.57Å; G227-T256 VanDerWaalsContact O-CA 3.23Å; G227-T256 WeakPolarHBondContact O-CA 3.34Å; L229-T256 HydrophobicContact CD1-CG2 3.64Å; I250-T256 HydrophobicContact CD1-CG2 3.79Å; I250-T256 HydrophobicContact CG2-CG2 4.11Å; Q254-T256 PolarHBondContact O-N 3.03Å
257T98.6Very high98.4Very high83 Ų8366.2 Ų66.251%0.50933%0.325SS..EExtended strand (participates in β ladder)trans-124155.3173.961.10000109.6G227 L229G227-T257 PolarHBondContact O-N 2.74Å; L229-T257 PolarHBondContact N-O 3.47Å
258M98.7Very high98.4Very high40 Ų4063.6 Ų63.620%0.19731%0.313CS..EExtended strand (participates in β ladder)trans-140127.6-179.6177.2-174.917000110.8L229 V231 V243 L246 Q247 I250 L260L229-M258 HydrophobicContact CB-CB 4.05Å; L229-M258 HydrophobicContact CB-CG 4.09Å; L229-M258 CarbonylContact O-C 3.6Å; L229-M258 WeakPolarHBondContact O-CA 3.44Å; V231-M258 HydrophobicContact CB-CE 3.6Å; V231-M258 HydrophobicContact CG1-CE 4.2Å; V231-M258 HydrophobicContact CG2-CE 3.46Å; V231-M258 VanDerWaalsContact CG2-CE 3.46Å; V231-M258 HydrophobicContact CG2-CG 4.22Å; V231-M258 HydrophobicContact CG2-SD 4.25Å; V243-M258 HydrophobicContact CG1-CE 4.49Å; L246-M258 HydrophobicContact CD2-CE 4.16Å; L246-M258 HydrophobicContact CD2-SD 4.24Å; L246-M258 HydrophobicContact CG-CE 4.32Å; L246-M258 HydrophobicContact CG-SD 4Å; Q247-M258 HydrophobicContact CB-CE 4.23Å; Q247-M258 HydrophobicContact CB-SD 4.23Å; I250-M258 HydrophobicContact CB-CB 4.1Å; I250-M258 HydrophobicContact CB-SD 4.41Å; I250-M258 HydrophobicContact CG1-CB 4.08Å; I250-M258 HydrophobicContact CG1-SD 3.92Å; I250-M258 HydrophobicContact CG2-CB 3.7Å; M258-L260 HydrophobicContact CE-CB 3.94Å; M258-L260 HydrophobicContact CE-CD1 3.88Å; M258-L260 HydrophobicContact CE-CD2 4.42Å; M258-L260 HydrophobicContact CE-CG 4.28Å
259R98.8Very high98.4Very high149 Ų14961.1 Ų61.156%0.56230%0.299SS*.EExtended strand (participates in β ladder)trans-97127.6161.8179.2174.1173.6173.1-0.6108.5L229 L230 V231 E261 Q284L229-R259 PolarHBondContact O-N 3.23Å; L230-R259 WeakPolarHBondContact CA-O 3.35Å; L230-R259 HydrophobicContact CD1-CB 4.17Å; L230-R259 HydrophobicContact CD1-CG 4.02Å; V231-R259 PolarHBondContact N-O 2.59Å; R259-E261 IonicContact CZ-OE1 3.97Å; R259-E261 IonicContact NE-OE1 3.53Å; R259-E261 PolarHBondContact NE-OE1 3.28Å; R259-E261 IonicContact NH2-OE1 3.73Å; R259-E261 PolarHBondContact NH2-OE1 2.85Å; R259-Q284 VanDerWaalsContact CZ-NE2 3.33Å
260L98.8Very high98.4Very high32 Ų3256.9 Ų56.917%0.16828%0.283CS..EExtended strand (participates in β ladder)trans-113123.3177.7178.260.8000110.2V231 V243 L244 Q247 M258 V262V231-L260 HydrophobicContact CB-CD1 3.9Å; V231-L260 HydrophobicContact CG1-CD1 3.93Å; V231-L260 CarbonylContact O-C 3.58Å; V231-L260 WeakPolarHBondContact O-CA 3.46Å; V243-L260 HydrophobicContact CG1-CD1 3.37Å; V243-L260 HydrophobicContact CG1-CD2 4.15Å; V243-L260 HydrophobicContact CG1-CG 4.43Å; L244-L260 HydrophobicContact CD2-CD2 4.44Å; Q247-L260 HydrophobicContact CB-CD2 4.5Å; M258-L260 HydrophobicContact CE-CB 3.94Å; M258-L260 HydrophobicContact CE-CD1 3.88Å; M258-L260 HydrophobicContact CE-CD2 4.42Å; M258-L260 HydrophobicContact CE-CG 4.28Å; L260-V262 HydrophobicContact CD1-CG2 4.19Å; L260-V262 HydrophobicContact CD2-CG2 3.67Å; L260-V262 HydrophobicContact CG-CG2 3.68Å
261E98.7Very high98.3Very high45 Ų4556.6 Ų56.621%0.2128%0.282CS..EExtended strand (participates in β ladder)trans-105105.6169.9-61.7-65.1166.500109.1L230 V231 V232 A233 R259 Y281 Q284L230-E261 HydrophobicContact CD1-CG 4.16Å; V231-E261 PolarHBondContact O-N 2.6Å; V232-E261 WeakPolarHBondContact CA-O 3.32Å; V232-E261 HydrophobicContact CB-CB 4.46Å; V232-E261 HydrophobicContact CG1-CB 4.27Å; V232-E261 HydrophobicContact CG2-CB 4.16Å; V232-E261 HydrophobicContact CG2-CG 4.46Å; A233-E261 PolarHBondContact N-O 2.6Å; R259-E261 IonicContact CZ-OE1 3.97Å; R259-E261 IonicContact NE-OE1 3.53Å; R259-E261 PolarHBondContact NE-OE1 3.28Å; R259-E261 IonicContact NH2-OE1 3.73Å; R259-E261 PolarHBondContact NH2-OE1 2.85Å; E261-Y281 HydrophobicContact CB-CE1 4.45Å; E261-Q284 VanDerWaalsContact CG-NE2 3.3Å; E261-Q284 PolarHBondContact OE1-NE2 3.12Å
262V98.7Very high98.3Very high57 Ų5750.4 Ų50.435%0.34526%0.256SS..EExtended strand (participates in β ladder)trans-96.2124.6174.6-177.90000108.9A233 T235 Y240 L260A233-V262 WeakPolarHBondContact O-CA 3.36Å; T235-V262 HydrophobicContact CG2-CG1 3.3Å; Y240-V262 HydrophobicContact CE2-CB 4.48Å; Y240-V262 HydrophobicContact CE2-CG1 3.74Å; Y240-V262 HydrophobicContact CE2-CG2 3.9Å; Y240-V262 WeakPolarHBondContact OH-CG1 3.43Å; L260-V262 HydrophobicContact CD1-CG2 4.19Å; L260-V262 HydrophobicContact CD2-CG2 3.67Å; L260-V262 HydrophobicContact CG-CG2 3.68Å
263V98.6Very high98.2Very high17 Ų1743.6 Ų43.610%0.10323%0.231CC..EExtended strand (participates in β ladder)trans-111.1104.8-178.4-163.30000110.2V232 A233 G234 T235 G265 M266 F270 Y281V232-V263 HydrophobicContact CG1-CG2 4.33Å; A233-V263 PolarHBondContact O-N 2.85Å; G234-V263 WeakPolarHBondContact CA-O 3.24Å; T235-V263 PolarHBondContact N-O 2.93Å; V263-G265 PolarHBondContact O-N 3.11Å; V263-M266 HydrophobicContact CB-CB 4.13Å; V263-M266 HydrophobicContact CB-CG 3.77Å; V263-M266 HydrophobicContact CG1-CB 4.26Å; V263-M266 HydrophobicContact CG1-CG 3.37Å; V263-M266 PolarHBondContact O-N 3Å; V263-F270 HydrophobicContact CB-CE1 4.25Å; V263-F270 HydrophobicContact CB-CZ 4Å; V263-F270 HydrophobicContact CG1-CZ 4.44Å; V263-F270 HydrophobicContact CG2-CE1 4.06Å; V263-F270 HydrophobicContact CG2-CE2 4.39Å; V263-F270 HydrophobicContact CG2-CZ 3.54Å; V263-Y281 HydrophobicContact CG1-CE2 4.22Å; V263-Y281 WeakPolarHBondContact CG1-OH 3.46Å; V263-Y281 HydrophobicContact CG2-CD1 4.22Å; V263-Y281 HydrophobicContact CG2-CE1 3.48Å; V263-Y281 VanDerWaalsContact CG2-CE1 3.48Å; V263-Y281 HydrophobicContact CG2-CE2 3.95Å; V263-Y281 WeakPolarHBondContact CG2-OH 3.46Å
264E98.3Very high98.1Very high143 Ų14343.5 Ų43.567%0.66823%0.229SC*.EExtended strand (participates in β ladder)trans-57.9130-175.6-170.559-126.900112T235 M266T235-E264 WeakPolarHBondContact OG1-CA 3.43Å; T235-E264 VanDerWaalsContact OG1-CD 3.29Å; T235-E264 PolarHBondContact OG1-OE1 3.01Å; E264-M266 PolarHBondContact O-N 2.82Å
265G97.5Very high98Very high20 Ų2036.7 Ų36.721%0.20620%0.198CC..EExtended strand (participates in β ladder)trans72.64.3177.600000115.2K9 T235 V263K9-G265 PolarHBondContact NZ-O 3.03Å; T235-G265 PolarHBondContact OG1-N 2.87Å; V263-G265 PolarHBondContact O-N 3.11Å
266M98.5Very high97.9Very high24 Ų2441 Ų4112%0.11820%0.202CC..EExtended strand (participates in β ladder)trans-78.5144.7173.3-72.9-58.7105.900111.9A5 G234 T235 D236 V263 E264 F270 E277A5-M266 HydrophobicContact CB-CE 3.67Å; A5-M266 HydrophobicContact CB-SD 3.65Å; G234-M266 WeakPolarHBondContact CA-O 3.38Å; T235-M266 PolarHBondContact N-O 2.83Å; D236-M266 WeakPolarHBondContact CA-O 3.48Å; D236-M266 WeakPolarHBondContact CB-O 3.2Å; D236-M266 PolarHBondContact N-O 3.1Å; V263-M266 HydrophobicContact CB-CB 4.13Å; V263-M266 HydrophobicContact CB-CG 3.77Å; V263-M266 HydrophobicContact CG1-CB 4.26Å; V263-M266 HydrophobicContact CG1-CG 3.37Å; V263-M266 PolarHBondContact O-N 3Å; E264-M266 PolarHBondContact O-N 2.82Å; M266-F270 HydrophobicContact CB-CB 4.14Å; M266-F270 HydrophobicContact CB-CD1 3.58Å; M266-F270 HydrophobicContact CB-CD2 4.21Å; M266-F270 HydrophobicContact CB-CE1 4.04Å; M266-F270 HydrophobicContact CB-CG 3.69Å; M266-F270 HydrophobicContact CG-CB 4.44Å; M266-F270 HydrophobicContact CG-CD1 4.08Å; M266-F270 HydrophobicContact CG-CD2 3.81Å; M266-F270 HydrophobicContact CG-CE1 4.31Å; M266-F270 HydrophobicContact CG-CE2 4.06Å; M266-F270 HydrophobicContact CG-CG 3.83Å; M266-F270 HydrophobicContact CG-CZ 4.33Å; M266-F270 HydrophobicContact SD-CB 4.25Å; M266-F270 HydrophobicContact SD-CD2 3.89Å; M266-F270 HydrophobicContact SD-CG 4.1Å; M266-E277 HydrophobicContact CE-CG 4.29Å; M266-E277 HydrophobicContact SD-CB 3.98Å; M266-E277 HydrophobicContact SD-CG 4.32Å
267M98.1Very high97.8Very high0 Ų043.3 Ų43.30%021%0.213CC..EExtended strand (participates in β ladder)trans-81.5168.3177.270.9-170.3-166.500111.6V8 K9 F12 V191 L192 D269 F270 Y273 L275V8-M267 HydrophobicContact CG1-CE 4.09Å; V8-M267 HydrophobicContact CG1-SD 4.45Å; K9-M267 HydrophobicContact CD-CB 4.32Å; K9-M267 HydrophobicContact CG-CB 4.22Å; K9-M267 HydrophobicContact CG-CG 4.43Å; K9-M267 HydrophobicContact CG-SD 3.8Å; F12-M267 HydrophobicContact CD2-CE 4.41Å; F12-M267 HydrophobicContact CD2-SD 4.09Å; F12-M267 HydrophobicContact CE2-CE 3.85Å; F12-M267 HydrophobicContact CE2-SD 4.14Å; V191-M267 HydrophobicContact CG2-CB 3.95Å; V191-M267 HydrophobicContact CG2-SD 3.99Å; L192-M267 HydrophobicContact CD1-CE 3.9Å; L192-M267 HydrophobicContact CD1-CG 4.07Å; L192-M267 HydrophobicContact CD1-SD 3.95Å; M267-D269 PolarHBondContact O-N 3.49Å; M267-F270 HydrophobicContact CG-CB 4.26Å; M267-F270 WeakPolarHBondContact O-CB 3.4Å; M267-F270 PolarHBondContact O-N 3.23Å; M267-Y273 HydrophobicContact CE-CD1 4.25Å; M267-Y273 HydrophobicContact CE-CD2 3.53Å; M267-Y273 HydrophobicContact CE-CE2 3.98Å; M267-Y273 HydrophobicContact CE-CG 3.7Å; M267-L275 HydrophobicContact CE-CD1 4.02Å
268H98.7Very high97.8Very high5 Ų539.4 Ų39.42%0.02319%0.188CC..THydrogen-bonded Turntrans-49.7135.9172.3-177.557.4000112.1S142 S171 L192 L193 E237 L239 F270S142-H268 VanDerWaalsContact CB-CE1 3.5Å; S142-H268 WeakPolarHBondContact CB-CE1 3.2Å; S142-H268 WeakPolarHBondContact CB-NE2 3.43Å; S142-H268 PolarHBondContact OG-CE1 3.33Å; S142-H268 VanDerWaalsContact OG-CE1 3.28Å; S142-H268 PolarHBondContact OG-NE2 3.03Å; S171-H268 PolarHBondContact O-CE1 3.23Å; L192-H268 HydrophobicContact CB-CB 4.32Å; L192-H268 HydrophobicContact CD1-CB 4.34Å; L192-H268 WeakPolarHBondContact CD1-O 3.17Å; L193-H268 HydrophobicContact CD1-CB 4.01Å; L193-H268 VanDerWaalsContact CD1-CD2 3.49Å; L193-H268 WeakPolarHBondContact CD1-CD2 3.12Å; L193-H268 VanDerWaalsContact CD1-CG 3.43Å; L193-H268 HydrophobicContact CG-CB 4.14Å; E237-H268 HydrophobicContact CB-CB 3.75Å; E237-H268 IonicContact OE2-CE1 2.7Å; E237-H268 IonicContact OE2-CG 3.76Å; E237-H268 IonicContact OE2-ND1 2.67Å; E237-H268 PolarHBondContact OE2-ND1 2.95Å; L239-H268 WeakPolarHBondContact CD1-CE1 3.41Å; H268-F270 PolarHBondContact O-N 3.31Å
269D98.3Very high97.6Very high15 Ų1539.8 Ų39.88%0.0819%0.191CC..THydrogen-bonded Turntrans54.325.5177.5-79-14.3000114.8S142 S171 M267 V271 V272 Y273S142-D269 WeakPolarHBondContact CB-OD2 3.4Å; S171-D269 WeakPolarHBondContact CB-OD1 3.33Å; S171-D269 PolarHBondContact OG-N 3.15Å; M267-D269 PolarHBondContact O-N 3.49Å; D269-V271 PolarHBondContact O-N 2.96Å; D269-V272 HydrophobicContact CB-CB 4.3Å; D269-V272 HydrophobicContact CB-CG2 4.23Å; D269-V272 WeakPolarHBondContact O-CA 3.33Å; D269-V272 WeakPolarHBondContact O-CB 3.28Å; D269-V272 PolarHBondContact O-N 3.47Å; D269-Y273 HydrophobicContact CB-CE2 4.3Å; D269-Y273 WeakPolarHBondContact O-CD2 3.08Å; D269-Y273 PolarHBondContact O-N 3.5Å
270F98.4Very high97.5Very high0 Ų036.4 Ų36.40%019%0.189CC..THydrogen-bonded Turntrans-53.5-30.7-179.980.7-81.8000112.3V232 V263 M266 M267 H268 V272 Y273 L275 S278 Y281V232-F270 HydrophobicContact CG1-CE1 3.99Å; V232-F270 HydrophobicContact CG1-CZ 3.72Å; V263-F270 HydrophobicContact CB-CE1 4.25Å; V263-F270 HydrophobicContact CB-CZ 4Å; V263-F270 HydrophobicContact CG1-CZ 4.44Å; V263-F270 HydrophobicContact CG2-CE1 4.06Å; V263-F270 HydrophobicContact CG2-CE2 4.39Å; V263-F270 HydrophobicContact CG2-CZ 3.54Å; M266-F270 HydrophobicContact CB-CB 4.14Å; M266-F270 HydrophobicContact CB-CD1 3.58Å; M266-F270 HydrophobicContact CB-CD2 4.21Å; M266-F270 HydrophobicContact CB-CE1 4.04Å; M266-F270 HydrophobicContact CB-CG 3.69Å; M266-F270 HydrophobicContact CG-CB 4.44Å; M266-F270 HydrophobicContact CG-CD1 4.08Å; M266-F270 HydrophobicContact CG-CD2 3.81Å; M266-F270 HydrophobicContact CG-CE1 4.31Å; M266-F270 HydrophobicContact CG-CE2 4.06Å; M266-F270 HydrophobicContact CG-CG 3.83Å; M266-F270 HydrophobicContact CG-CZ 4.33Å; M266-F270 HydrophobicContact SD-CB 4.25Å; M266-F270 HydrophobicContact SD-CD2 3.89Å; M266-F270 HydrophobicContact SD-CG 4.1Å; M267-F270 HydrophobicContact CG-CB 4.26Å; M267-F270 WeakPolarHBondContact O-CB 3.4Å; M267-F270 PolarHBondContact O-N 3.23Å; H268-F270 PolarHBondContact O-N 3.31Å; F270-V272 VanDerWaalsContact C-N 3.28Å; F270-V272 PolarHBondContact O-N 3.41Å; F270-Y273 PolarHBondContact O-N 2.9Å; F270-L275 HydrophobicContact CB-CD1 3.88Å; F270-S278 WeakPolarHBondContact O-CB 3.45Å; F270-Y281 AromaticContact CE2-CD2 3.45Å; F270-Y281 HydrophobicContact CE2-CD2 3.45Å; F270-Y281 VanDerWaalsContact CE2-CD2 3.45Å; F270-Y281 AromaticContact CE2-CE2 3.75Å; F270-Y281 HydrophobicContact CE2-CE2 3.75Å; F270-Y281 HydrophobicContact CE2-CG 4.13Å; F270-Y281 AromaticContact CZ-CD2 3.75Å; F270-Y281 HydrophobicContact CZ-CD2 3.75Å; F270-Y281 HydrophobicContact CZ-CE2 4.02Å; F270-Y281 HydrophobicContact CZ-CG 4.02Å
271V98.1Very high97.5Very high2 Ų237.4 Ų37.41%0.01219%0.19CC..THydrogen-bonded Turntrans-56.9-38.61741790000112.2A170 V232 D269 V282 I285A170-V271 HydrophobicContact CB-CB 4.02Å; A170-V271 HydrophobicContact CB-CG1 4.25Å; A170-V271 HydrophobicContact CB-CG2 4.24Å; V232-V271 HydrophobicContact CB-CG2 4.19Å; V232-V271 HydrophobicContact CG1-CG2 3.74Å; D269-V271 PolarHBondContact O-N 2.96Å; V271-V282 HydrophobicContact CG1-CG2 3.71Å; V271-V282 WeakPolarHBondContact O-CG2 3.31Å; V271-I285 HydrophobicContact CG1-CD1 4.17Å
272V97.6Very high97.5Very high9 Ų935.4 Ų35.46%0.05518%0.181CC..THydrogen-bonded Turntrans-76.5-38.1-178.9-178.10000111.4F84 I88 D141 D269 F270F84-V272 HydrophobicContact CB-CG1 4.07Å; F84-V272 VanDerWaalsContact CB-O 3.23Å; F84-V272 WeakPolarHBondContact CB-O 3.22Å; I88-V272 HydrophobicContact CD1-CB 4.41Å; I88-V272 HydrophobicContact CD1-CG2 4.3Å; D141-V272 HydrophobicContact CB-CG2 3.74Å; D269-V272 HydrophobicContact CB-CB 4.3Å; D269-V272 HydrophobicContact CB-CG2 4.23Å; D269-V272 WeakPolarHBondContact O-CA 3.33Å; D269-V272 WeakPolarHBondContact O-CB 3.28Å; D269-V272 PolarHBondContact O-N 3.47Å; F270-V272 VanDerWaalsContact C-N 3.28Å; F270-V272 PolarHBondContact O-N 3.41Å
273Y96.1Very high97.5Very high52 Ų5234 Ų3420%0.20417%0.172CC..SBendtrans-68.4151.4-178.5-75.4-89.8000112.8F12 F84 L192 M267 D269 F270 L275 S278F12-Y273 HydrophobicContact CE2-CD1 4.47Å; F12-Y273 AromaticContact CE2-CE1 3.95Å; F12-Y273 HydrophobicContact CE2-CE1 3.95Å; F12-Y273 HydrophobicContact CZ-CD1 4.29Å; F12-Y273 AromaticContact CZ-CE1 3.78Å; F12-Y273 HydrophobicContact CZ-CE1 3.78Å; F84-Y273 HydrophobicContact CD2-CD1 4.4Å; F84-Y273 HydrophobicContact CE2-CD1 4.22Å; F84-Y273 HydrophobicContact CE2-CE1 4.41Å; L192-Y273 HydrophobicContact CD1-CD2 4.44Å; L192-Y273 HydrophobicContact CD1-CE2 3.6Å; L192-Y273 WeakPolarHBondContact CD2-OH 3.42Å; M267-Y273 HydrophobicContact CE-CD1 4.25Å; M267-Y273 HydrophobicContact CE-CD2 3.53Å; M267-Y273 HydrophobicContact CE-CE2 3.98Å; M267-Y273 HydrophobicContact CE-CG 3.7Å; D269-Y273 HydrophobicContact CB-CE2 4.3Å; D269-Y273 WeakPolarHBondContact O-CD2 3.08Å; D269-Y273 PolarHBondContact O-N 3.5Å; F270-Y273 PolarHBondContact O-N 2.9Å; Y273-L275 PolarHBondContact O-N 3.5Å; Y273-S278 PolarHBondContact O-OG 3.47Å
274P94.1Very high97.5Very high18 Ų1835 Ų3512%0.11718%0.175CC..  trans-76.461.8177.934.2-38000111.2R2 Y3 F84R2-P274 WeakPolarHBondContact CA-O 3.41Å; R2-P274 WeakPolarHBondContact CB-O 3.39Å; R2-P274 HydrophobicContact CG-CB 4.41Å; Y3-P274 PolarHBondContact N-O 2.97Å; Y3-P274 VanDerWaalsContact N-O 3.14Å; F84-P274 HydrophobicContact CD1-CB 4.44Å; F84-P274 HydrophobicContact CD1-CG 3.93Å; F84-P274 HydrophobicContact CE1-CB 4.43Å; F84-P274 HydrophobicContact CE1-CG 3.58Å; F84-P274 HydrophobicContact CZ-CG 3.95Å
275L96.9Very high97.5Very high2 Ų228.2 Ų28.21%0.0114%0.144CC..BIsolated β-bridgetrans-94.5155.2-179.9-55.7179000110.9R2 Y3 A5 V8 M267 F270 Y273 E277 S278R2-L275 WeakPolarHBondContact CD-O 3.5Å; R2-L275 PolarHBondContact NH1-O 2.97Å; Y3-L275 CarbonylContact O-C 3.52Å; Y3-L275 WeakPolarHBondContact O-CA 3.35Å; A5-L275 HydrophobicContact CB-CD1 3.99Å; V8-L275 HydrophobicContact CB-CD2 3.98Å; V8-L275 HydrophobicContact CG1-CD2 4.31Å; V8-L275 HydrophobicContact CG2-CD2 3.59Å; M267-L275 HydrophobicContact CE-CD1 4.02Å; F270-L275 HydrophobicContact CB-CD1 3.88Å; Y273-L275 PolarHBondContact O-N 3.5Å; L275-E277 PolarHBondContact O-N 2.93Å; L275-S278 PolarHBondContact N-OG 3.04Å; L275-S278 PolarHBondContact O-N 3.32Å; L275-S278 PolarHBondContact O-OG 3.15Å; L275-S278 VanDerWaalsContact O-OG 3.08Å
276K95.4Very high97.6Very high138 Ų13827.3 Ų27.360%0.613%0.134SC*.THydrogen-bonded Turntrans-64.4-36.1171.1-68.6-179.2178.9-178.50110.5R2 Y3 S278R2-K276 HydrophobicContact CB-CG 4.18Å; Y3-K276 PolarHBondContact O-N 3.21Å; K276-S278 VanDerWaalsContact C-N 3.31Å; K276-S278 PolarHBondContact O-N 3Å
277E97.4Very high97.6Very high59 Ų5931.4 Ų31.428%0.27615%0.153SC..THydrogen-bonded Turntrans-73.9-18.1-177.6-6185.3163.900113A5 M266 L275 Y281A5-E277 HydrophobicContact CB-CG 4.23Å; A5-E277 VanDerWaalsContact N-CD 3.25Å; A5-E277 PolarHBondContact N-OE1 2.87Å; A5-E277 PolarHBondContact N-OE2 3.36Å; M266-E277 HydrophobicContact CE-CG 4.29Å; M266-E277 HydrophobicContact SD-CB 3.98Å; M266-E277 HydrophobicContact SD-CG 4.32Å; L275-E277 PolarHBondContact O-N 2.93Å; E277-Y281 VanDerWaalsContact O-CD2 3.23Å; E277-Y281 WeakPolarHBondContact O-CD2 3.49Å; E277-Y281 WeakPolarHBondContact O-CE2 3.26Å
278S97.7Very high97.6Very high0 Ų033.1 Ų33.10%016%0.16CC..THydrogen-bonded Turntrans-84.6-31.3-173.966.20000114.9R2 F270 Y273 L275 K276 Y281 V282R2-S278 PolarHBondContact NH1-OG 3.02Å; F270-S278 WeakPolarHBondContact O-CB 3.45Å; Y273-S278 PolarHBondContact O-OG 3.47Å; L275-S278 PolarHBondContact N-OG 3.04Å; L275-S278 PolarHBondContact O-N 3.32Å; L275-S278 PolarHBondContact O-OG 3.15Å; L275-S278 VanDerWaalsContact O-OG 3.08Å; K276-S278 VanDerWaalsContact C-N 3.31Å; K276-S278 PolarHBondContact O-N 3Å; S278-Y281 PolarHBondContact O-N 3.35Å; S278-Y281 VanDerWaalsContact O-N 3.09Å; S278-V282 PolarHBondContact O-N 3.48Å; S278-V282 VanDerWaalsContact O-N 3.07Å
279L94.5Very high97.6Very high48 Ų4832.9 Ų32.925%0.25116%0.159SC..Hα-helixtrans-55-44.8-175-80.5179.2000114.8R2 Y281 V282 D283R2-L279 VanDerWaalsContact NH2-CD2 3.34Å; L279-Y281 PolarHBondContact O-N 3.32Å; L279-V282 PolarHBondContact O-N 3.27Å; L279-D283 WeakPolarHBondContact O-CB 3.39Å; L279-D283 PolarHBondContact O-N 3.42Å
280P97.4Very high97.5Very high79 Ų7936.3 Ų36.351%0.51318%0.175SC..Hα-helixtrans-58.2-35.2179.3-25.736.2000112.9Q284P280-Q284 WeakPolarHBondContact O-CB 3.22Å; P280-Q284 PolarHBondContact O-N 2.86Å
281Y98.6Very high97.4Very high52 Ų5238.2 Ų38.220%0.20418%0.184CC..Hα-helixtrans-81.1-36.2-178.7-58.4-79.9000112.4V232 E261 V263 F270 E277 S278 L279 D283 Q284 I285V232-Y281 HydrophobicContact CG1-CD1 3.63Å; V232-Y281 HydrophobicContact CG1-CE1 4.36Å; V232-Y281 HydrophobicContact CG1-CG 3.92Å; V232-Y281 HydrophobicContact CG2-CD1 4.48Å; E261-Y281 HydrophobicContact CB-CE1 4.45Å; V263-Y281 HydrophobicContact CG1-CE2 4.22Å; V263-Y281 WeakPolarHBondContact CG1-OH 3.46Å; V263-Y281 HydrophobicContact CG2-CD1 4.22Å; V263-Y281 HydrophobicContact CG2-CE1 3.48Å; V263-Y281 VanDerWaalsContact CG2-CE1 3.48Å; V263-Y281 HydrophobicContact CG2-CE2 3.95Å; V263-Y281 WeakPolarHBondContact CG2-OH 3.46Å; F270-Y281 AromaticContact CE2-CD2 3.45Å; F270-Y281 HydrophobicContact CE2-CD2 3.45Å; F270-Y281 VanDerWaalsContact CE2-CD2 3.45Å; F270-Y281 AromaticContact CE2-CE2 3.75Å; F270-Y281 HydrophobicContact CE2-CE2 3.75Å; F270-Y281 HydrophobicContact CE2-CG 4.13Å; F270-Y281 AromaticContact CZ-CD2 3.75Å; F270-Y281 HydrophobicContact CZ-CD2 3.75Å; F270-Y281 HydrophobicContact CZ-CE2 4.02Å; F270-Y281 HydrophobicContact CZ-CG 4.02Å; E277-Y281 VanDerWaalsContact O-CD2 3.23Å; E277-Y281 WeakPolarHBondContact O-CD2 3.49Å; E277-Y281 WeakPolarHBondContact O-CE2 3.26Å; S278-Y281 PolarHBondContact O-N 3.35Å; S278-Y281 VanDerWaalsContact O-N 3.09Å; L279-Y281 PolarHBondContact O-N 3.32Å; Y281-D283 PolarHBondContact O-N 3.21Å; Y281-Q284 PolarHBondContact O-N 3.3Å; Y281-I285 VanDerWaalsContact O-CG1 3.26Å; Y281-I285 WeakPolarHBondContact O-CG1 3.43Å; Y281-I285 PolarHBondContact O-N 3.1Å
282V98.5Very high97.4Very high3 Ų340.1 Ų40.12%0.01819%0.193CC..Hα-helixtrans-60.4-40.9169.1-178.70000110.2I88 F92 V271 S278 L279 I285 G286I88-V282 HydrophobicContact CD1-CG2 4.28Å; I88-V282 HydrophobicContact CG1-CG1 4.21Å; I88-V282 HydrophobicContact CG1-CG2 4.26Å; I88-V282 HydrophobicContact CG2-CG1 4.1Å; F92-V282 HydrophobicContact CE1-CG1 4Å; V271-V282 HydrophobicContact CG1-CG2 3.71Å; V271-V282 WeakPolarHBondContact O-CG2 3.31Å; S278-V282 PolarHBondContact O-N 3.48Å; S278-V282 VanDerWaalsContact O-N 3.07Å; L279-V282 PolarHBondContact O-N 3.27Å; V282-I285 PolarHBondContact O-N 3.02Å; V282-G286 PolarHBondContact O-N 3.15Å
283D98.3Very high97.4Very high29 Ų2941.8 Ų41.816%0.15520%0.201CC..Hα-helixtrans-67-42.5176.4-81.6-9.6000112.5R91 R95 Y96 L279 Y281 I285 G286 E287R91-D283 IonicContact CZ-OD1 3.66Å; R91-D283 IonicContact CZ-OD2 2.62Å; R91-D283 IonicContact NE-OD1 3.89Å; R91-D283 PolarHBondContact NE-OD1 3.03Å; R91-D283 IonicContact NH2-OD1 2.81Å; R91-D283 PolarHBondContact NH2-OD1 2.9Å; R91-D283 IonicContact NH2-OD2 2.81Å; R91-D283 PolarHBondContact NH2-OD2 3.01Å; R95-D283 IonicContact CZ-OD2 3.29Å; R95-D283 IonicContact NE-OD1 3.87Å; R95-D283 PolarHBondContact NE-OD1 3.17Å; R95-D283 IonicContact NE-OD2 3.11Å; R95-D283 IonicContact NH2-OD2 3.3Å; Y96-D283 WeakPolarHBondContact OH-CA 3.2Å; Y96-D283 WeakPolarHBondContact OH-CB 3.41Å; Y96-D283 PolarHBondContact OH-O 3.15Å; Y96-D283 VanDerWaalsContact OH-O 3.07Å; Y96-D283 PolarHBondContact OH-OD1 3.08Å; L279-D283 WeakPolarHBondContact O-CB 3.39Å; L279-D283 PolarHBondContact O-N 3.42Å; Y281-D283 PolarHBondContact O-N 3.21Å; D283-I285 PolarHBondContact O-N 3.05Å; D283-G286 PolarHBondContact O-N 3.41Å; D283-G286 VanDerWaalsContact O-N 3.15Å; D283-E287 WeakPolarHBondContact O-CG 3.32Å; D283-E287 PolarHBondContact O-N 2.74Å
284Q98.7Very high97.5Very high37 Ų3741.2 Ų41.217%0.17320%0.2CC..Hα-helixtrans-57.7-38.8174.1-177.1178.3-4.200112L230 R259 E261 P280 Y281 F288L230-Q284 HydrophobicContact CD2-CG 4.08Å; R259-Q284 VanDerWaalsContact CZ-NE2 3.33Å; E261-Q284 VanDerWaalsContact CG-NE2 3.3Å; E261-Q284 PolarHBondContact OE1-NE2 3.12Å; P280-Q284 WeakPolarHBondContact O-CB 3.22Å; P280-Q284 PolarHBondContact O-N 2.86Å; Y281-Q284 PolarHBondContact O-N 3.3Å; Q284-F288 WeakPolarHBondContact O-CB 3.3Å; Q284-F288 PolarHBondContact O-N 3.17Å
285I98.9Very high97.7Very high1 Ų142.6 Ų42.61%0.00521%0.206CC..Hα-helixtrans-68.5-42.2176.4-67.5169.2000111F92 F139 A168 L230 V232 V271 Y281 V282 D283 E287 F288 Y289F92-I285 HydrophobicContact CE1-CB 4.39Å; F92-I285 HydrophobicContact CE1-CG2 4.04Å; F92-I285 HydrophobicContact CE2-CG2 4.31Å; F92-I285 HydrophobicContact CZ-CB 4.19Å; F92-I285 HydrophobicContact CZ-CG2 3.47Å; F92-I285 VanDerWaalsContact CZ-CG2 3.47Å; F139-I285 HydrophobicContact CD2-CG2 3.93Å; F139-I285 HydrophobicContact CE2-CD1 3.9Å; F139-I285 HydrophobicContact CE2-CG2 4.28Å; A168-I285 HydrophobicContact CB-CB 4.47Å; A168-I285 HydrophobicContact CB-CG1 4.22Å; A168-I285 HydrophobicContact CB-CG2 3.6Å; L230-I285 HydrophobicContact CD2-CG1 3.84Å; V232-I285 HydrophobicContact CG2-CD1 4.27Å; V232-I285 HydrophobicContact CG2-CG1 4.44Å; V271-I285 HydrophobicContact CG1-CD1 4.17Å; Y281-I285 VanDerWaalsContact O-CG1 3.26Å; Y281-I285 WeakPolarHBondContact O-CG1 3.43Å; Y281-I285 PolarHBondContact O-N 3.1Å; V282-I285 PolarHBondContact O-N 3.02Å; D283-I285 PolarHBondContact O-N 3.05Å; I285-E287 PolarHBondContact O-N 3.03Å; I285-F288 WeakPolarHBondContact O-CB 3.43Å; I285-F288 PolarHBondContact O-N 3.47Å; I285-Y289 HydrophobicContact CG2-CD2 4.38Å; I285-Y289 HydrophobicContact CG2-CE2 3.57Å; I285-Y289 WeakPolarHBondContact O-CD2 3.26Å; I285-Y289 WeakPolarHBondContact O-CE2 3.12Å; I285-Y289 PolarHBondContact O-N 2.95Å
286G98.8Very high97.7Very high0 Ų045.3 Ų45.30%022%0.219CC..Hα-helixtrans-61.9-41174.700000113.5Y96 V282 D283 Y289Y96-G286 WeakPolarHBondContact CD1-O 3.36Å; V282-G286 PolarHBondContact O-N 3.15Å; D283-G286 PolarHBondContact O-N 3.41Å; D283-G286 VanDerWaalsContact O-N 3.15Å; G286-Y289 PolarHBondContact O-N 3.47Å
287E98.6Very high97.9Very high111 Ų11138.7 Ų38.752%0.51919%0.191SC..Hα-helixtrans-67-36.9174-71.4-63167.600112Y96 D283 I285 Y289 Q290Y96-E287 HydrophobicContact CE1-CB 4.43Å; Y96-E287 HydrophobicContact CE1-CG 3.69Å; Y96-E287 WeakPolarHBondContact CE1-OE1 3.24Å; D283-E287 WeakPolarHBondContact O-CG 3.32Å; D283-E287 PolarHBondContact O-N 2.74Å; I285-E287 PolarHBondContact O-N 3.03Å; E287-Y289 PolarHBondContact O-N 3.47Å; E287-Y289 VanDerWaalsContact O-N 3.14Å; E287-Q290 WeakPolarHBondContact O-CB 3.15Å; E287-Q290 PolarHBondContact O-N 3.29Å
288F98.8Very high97.9Very high35 Ų3537.2 Ų37.215%0.15419%0.185CC..Hα-helixtrans-58-29.9178.2174.4-120000112.3K166 A168 E228 L230 Q284 I285K166-F288 HydrophobicContact CB-CD1 4.36Å; K166-F288 HydrophobicContact CB-CE1 3.63Å; K166-F288 HydrophobicContact CB-CZ 3.76Å; K166-F288 HydrophobicContact CD-CD2 4.38Å; K166-F288 HydrophobicContact CD-CE1 4.33Å; K166-F288 HydrophobicContact CD-CE2 4.09Å; K166-F288 HydrophobicContact CD-CZ 4.08Å; K166-F288 WeakPolarHBondContact CD-O 3.31Å; K166-F288 WeakPolarHBondContact CE-O 3.46Å; K166-F288 HydrophobicContact CG-CE1 4.35Å; K166-F288 HydrophobicContact CG-CE2 4.47Å; K166-F288 HydrophobicContact CG-CZ 4.04Å; K166-F288 PolarHBondContact NZ-O 3.06Å; A168-F288 HydrophobicContact CB-CD1 4.15Å; A168-F288 HydrophobicContact CB-CE1 4.4Å; E228-F288 HydrophobicContact CB-CE2 4.12Å; E228-F288 HydrophobicContact CB-CZ 3.87Å; E228-F288 WeakPolarHBondContact O-CZ 3.44Å; L230-F288 HydrophobicContact CB-CD1 3.7Å; L230-F288 HydrophobicContact CB-CD2 4.22Å; L230-F288 HydrophobicContact CB-CE1 3.68Å; L230-F288 HydrophobicContact CB-CE2 4.24Å; L230-F288 HydrophobicContact CB-CG 3.96Å; L230-F288 HydrophobicContact CB-CZ 3.97Å; L230-F288 HydrophobicContact CD2-CB 3.75Å; L230-F288 HydrophobicContact CD2-CD1 4.13Å; L230-F288 HydrophobicContact CD2-CG 3.91Å; Q284-F288 WeakPolarHBondContact O-CB 3.3Å; Q284-F288 PolarHBondContact O-N 3.17Å; I285-F288 WeakPolarHBondContact O-CB 3.43Å; I285-F288 PolarHBondContact O-N 3.47Å
289Y98.6Very high98Very high0 Ų040.3 Ų40.30%020%0.2CC..THydrogen-bonded Turntrans-82.8-6.1177-59.8-50000115.2R67 V69 F92 L98 F137 L138 F139 K166 A168 I285 G286 E287R67-Y289 VanDerWaalsContact CD-O 3.3Å; R67-Y289 WeakPolarHBondContact CD-O 3.27Å; R67-Y289 PolarHBondContact NE-O 2.89Å; V69-Y289 HydrophobicContact CG1-CE2 4.22Å; V69-Y289 HydrophobicContact CG2-CD2 3.63Å; V69-Y289 HydrophobicContact CG2-CE2 3.72Å; V69-Y289 HydrophobicContact CG2-CG 4.05Å; F92-Y289 HydrophobicContact CE2-CE2 4.3Å; F92-Y289 HydrophobicContact CZ-CE2 4.45Å; L98-Y289 HydrophobicContact CD1-CD2 3.81Å; L98-Y289 HydrophobicContact CD1-CG 4.39Å; F137-Y289 HydrophobicContact CB-CD1 3.53Å; F137-Y289 HydrophobicContact CB-CE1 3.49Å; F137-Y289 VanDerWaalsContact CB-CE1 3.49Å; F137-Y289 HydrophobicContact CB-CG 4.41Å; F137-Y289 HydrophobicContact CD1-CD1 4.18Å; F137-Y289 AromaticContact CD2-CD1 3.64Å; F137-Y289 HydrophobicContact CD2-CD1 3.64Å; F137-Y289 HydrophobicContact CD2-CE1 4.46Å; F137-Y289 AromaticContact CD2-CG 3.89Å; F137-Y289 HydrophobicContact CD2-CG 3.89Å; F137-Y289 HydrophobicContact CE2-CD1 4.35Å; F137-Y289 HydrophobicContact CE2-CG 4.43Å; F137-Y289 WeakPolarHBondContact CE2-O 3.47Å; F137-Y289 AromaticContact CG-CD1 3.52Å; F137-Y289 HydrophobicContact CG-CD1 3.52Å; F137-Y289 HydrophobicContact CG-CE1 4.04Å; F137-Y289 HydrophobicContact CG-CG 4.25Å; F137-Y289 WeakPolarHBondContact CZ-O 3.32Å; L138-Y289 PolarHBondContact O-OH 3.12Å; F139-Y289 WeakPolarHBondContact CA-OH 3.45Å; F139-Y289 WeakPolarHBondContact CB-OH 3.47Å; K166-Y289 HydrophobicContact CB-CD1 4.2Å; K166-Y289 HydrophobicContact CB-CE1 4.35Å; A168-Y289 HydrophobicContact CB-CE1 4.27Å; A168-Y289 WeakPolarHBondContact CB-OH 3.41Å; I285-Y289 HydrophobicContact CG2-CD2 4.38Å; I285-Y289 HydrophobicContact CG2-CE2 3.57Å; I285-Y289 WeakPolarHBondContact O-CD2 3.26Å; I285-Y289 WeakPolarHBondContact O-CE2 3.12Å; I285-Y289 PolarHBondContact O-N 2.95Å; G286-Y289 PolarHBondContact O-N 3.47Å; E287-Y289 PolarHBondContact O-N 3.47Å; E287-Y289 VanDerWaalsContact O-N 3.14Å
290Q95.7Very high98.3Very high88 Ų8839.5 Ų39.541%0.41120%0.196SC..  trans-70.40174.1-59.4-56-45.300111.3R67 Y96 K166 E287R67-Q290 VanDerWaalsContact CZ-O 3.25Å; R67-Q290 PolarHBondContact NE-O 3.02Å; R67-Q290 PolarHBondContact NH2-O 2.86Å; Y96-Q290 PolarHBondContact O-NE2 2.87Å; K166-Q290 PolarHBondContact NZ-OXT 2.99Å; E287-Q290 WeakPolarHBondContact O-CB 3.15Å; E287-Q290 PolarHBondContact O-N 3.29Å

Retrieved 290 of 290 residues in 604.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).