A0A077ZII1_TRITR Loading...

Gag pol polyprotein

AlphaFold DB , UniProt , Accession A0A077ZII1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 313 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.5Low70.5Confident225 Ų225116.7 Ų116.7100%1.10862%0.623SS**  0-19.10-69.6-175.5-166.600114.5
2A56.8Low71.4Confident82 Ų82115.9 Ų115.968%0.67862%0.618SS**  trans-75.9-33.1179.500000114.5S4 K5A2-S4 PolarHBondContact O-N 3.07Å; A2-K5 PolarHBondContact O-N 3.3Å
3H56.6Low72.6Confident163 Ų163112.1 Ų112.176%0.75561%0.606SS**Hα-helixtrans-64.6-39.2-177.9-72.7-69.8000113.9K5 A6 D7H3-K5 VanDerWaalsContact C-N 3.28Å; H3-K5 PolarHBondContact O-N 2.85Å; H3-A6 PolarHBondContact O-N 3.34Å; H3-D7 PolarHBondContact O-N 2.93Å
4S66.3Low73.4Confident74 Ų74109.3 Ų109.352%0.51760%0.595SS.*Hα-helixtrans-69.4-23.7-177.780.40000114A2 L8A2-S4 PolarHBondContact O-N 3.07Å; S4-L8 WeakPolarHBondContact O-CB 3.27Å; S4-L8 WeakPolarHBondContact O-CG 3.47Å; S4-L8 PolarHBondContact O-N 2.81Å; S4-L8 VanDerWaalsContact O-N 3.1Å
5K72.9Confident73.9Confident133 Ų133110.1 Ų110.158%0.57859%0.593SS**Hα-helixtrans-77-30.4178-162.6175.1-176.2176.50112A2 H3 R9A2-K5 PolarHBondContact O-N 3.3Å; H3-K5 VanDerWaalsContact C-N 3.28Å; H3-K5 PolarHBondContact O-N 2.85Å; K5-R9 WeakPolarHBondContact O-CG 3.23Å; K5-R9 PolarHBondContact O-N 2.88Å
6A74.7Confident74.6Confident59 Ų59110.9 Ų110.949%0.48859%0.592SS.*Hα-helixtrans-71.2-44.4174.300000110.8H3 L8 R9 S10H3-A6 PolarHBondContact O-N 3.34Å; A6-L8 PolarHBondContact O-N 3.05Å; A6-R9 PolarHBondContact O-N 3.4Å; A6-S10 PolarHBondContact O-N 3.26Å
7D78.5Confident75.4Confident101 Ų101111.3 Ų111.354%0.5459%0.589SS.*Hα-helixtrans-61.6-43.8176.2-67.7-24.3000111.7H3 R9 S10 I11H3-D7 PolarHBondContact O-N 2.93Å; D7-R9 VanDerWaalsContact C-N 3.31Å; D7-R9 PolarHBondContact O-N 2.83Å; D7-S10 WeakPolarHBondContact O-CB 3.25Å; D7-S10 PolarHBondContact O-N 3.15Å; D7-I11 VanDerWaalsContact O-CG1 3.3Å; D7-I11 WeakPolarHBondContact O-CG1 3.45Å; D7-I11 PolarHBondContact O-N 2.84Å
8L73.5Confident75.8Confident105 Ų105109.6 Ų109.655%0.5558%0.584SS.*Hα-helixtrans-60-38.8175.9-85.5164.7000112.8S4 A6 L12S4-L8 WeakPolarHBondContact O-CB 3.27Å; S4-L8 WeakPolarHBondContact O-CG 3.47Å; S4-L8 PolarHBondContact O-N 2.81Å; S4-L8 VanDerWaalsContact O-N 3.1Å; A6-L8 PolarHBondContact O-N 3.05Å; L8-L12 WeakPolarHBondContact O-CB 3.31Å; L8-L12 PolarHBondContact O-N 2.85Å
9R81Confident76.2Confident172 Ų172110.1 Ų110.165%0.64959%0.586SS**Hα-helixtrans-69-40176.8-77.2177173.8177.3-3.9112.2K5 A6 D7 L12 S13K5-R9 WeakPolarHBondContact O-CG 3.23Å; K5-R9 PolarHBondContact O-N 2.88Å; A6-R9 PolarHBondContact O-N 3.4Å; D7-R9 VanDerWaalsContact C-N 3.31Å; D7-R9 PolarHBondContact O-N 2.83Å; R9-L12 PolarHBondContact O-N 2.91Å; R9-S13 PolarHBondContact O-N 2.78Å
10S81.3Confident76.7Confident65 Ų65110.4 Ų110.446%0.45558%0.584SS.*Hα-helixtrans-62.1-44.9175.2172.60000111.6A6 D7 S13 T14A6-S10 PolarHBondContact O-N 3.26Å; D7-S10 WeakPolarHBondContact O-CB 3.25Å; D7-S10 PolarHBondContact O-N 3.15Å; S10-S13 PolarHBondContact O-N 3.3Å; S10-S13 PolarHBondContact O-OG 2.98Å; S10-S13 VanDerWaalsContact O-OG 3.05Å; S10-T14 WeakPolarHBondContact O-CB 3.46Å; S10-T14 PolarHBondContact O-N 2.78Å; S10-T14 PolarHBondContact O-OG1 2.8Å
11I81.2Confident77.1Confident105 Ų105111 Ų11154%0.53858%0.584SS.*Hα-helixtrans-63.5-44.9177.2-67.4165.6000110.6D7 T14 Q15D7-I11 VanDerWaalsContact O-CG1 3.3Å; D7-I11 WeakPolarHBondContact O-CG1 3.45Å; D7-I11 PolarHBondContact O-N 2.84Å; I11-T14 PolarHBondContact O-N 2.92Å; I11-Q15 WeakPolarHBondContact O-CB 3.24Å; I11-Q15 PolarHBondContact O-N 2.93Å
12L82Confident78Confident107 Ų107106.6 Ų106.656%0.5656%0.559SS**Hα-helixtrans-62.1-43.5177.3-109138.8000112.5L8 R9 Q15 Q16L8-L12 WeakPolarHBondContact O-CB 3.31Å; L8-L12 PolarHBondContact O-N 2.85Å; R9-L12 PolarHBondContact O-N 2.91Å; L12-Q15 PolarHBondContact O-N 3.42Å; L12-Q16 WeakPolarHBondContact O-CB 3.31Å; L12-Q16 PolarHBondContact O-N 2.84Å
13S86Confident79.4Confident66 Ų66105.3 Ų105.346%0.46255%0.547SS..Hα-helixtrans-66.1-40.7177.7730000111.5R9 S10 Q16 Q17R9-S13 PolarHBondContact O-N 2.78Å; S10-S13 PolarHBondContact O-N 3.3Å; S10-S13 PolarHBondContact O-OG 2.98Å; S10-S13 VanDerWaalsContact O-OG 3.05Å; S13-Q16 PolarHBondContact O-N 3.5Å; S13-Q17 WeakPolarHBondContact O-CB 3.49Å; S13-Q17 PolarHBondContact O-N 3.49Å
14T83.8Confident80.7Confident73 Ų73103.4 Ų103.445%0.44854%0.539SS..Hα-helixtrans-61.9-46.4177-53.80000110.3S10 I11 Q16 Q17 T18S10-T14 WeakPolarHBondContact O-CB 3.46Å; S10-T14 PolarHBondContact O-N 2.78Å; S10-T14 PolarHBondContact O-OG1 2.8Å; I11-T14 PolarHBondContact O-N 2.92Å; T14-Q16 VanDerWaalsContact C-N 3.35Å; T14-Q16 PolarHBondContact O-N 2.8Å; T14-Q17 PolarHBondContact O-N 3.4Å; T14-T18 PolarHBondContact O-N 2.99Å; T14-T18 PolarHBondContact O-OG1 2.9Å
15Q80.8Confident81.2Confident122 Ų122105.2 Ų105.257%0.5754%0.542SS*.Hα-helixtrans-63.3-39.9179.1-161.9179.120.600112.1I11 L12 Q17 T18 L19I11-Q15 WeakPolarHBondContact O-CB 3.24Å; I11-Q15 PolarHBondContact O-N 2.93Å; L12-Q15 PolarHBondContact O-N 3.42Å; Q15-Q17 VanDerWaalsContact C-N 3.35Å; Q15-T18 PolarHBondContact O-N 3.19Å; Q15-L19 WeakPolarHBondContact O-CG 3.42Å; Q15-L19 PolarHBondContact O-N 3.34Å; Q15-L19 VanDerWaalsContact O-N 3.1Å
16Q86.2Confident81.1Confident122 Ų122104.8 Ų104.857%0.5754%0.542SS*.Hα-helixtrans-66.3-37.4176.1-167.5166.97.700112L12 S13 T14 L19 Q20L12-Q16 WeakPolarHBondContact O-CB 3.31Å; L12-Q16 PolarHBondContact O-N 2.84Å; S13-Q16 PolarHBondContact O-N 3.5Å; T14-Q16 VanDerWaalsContact C-N 3.35Å; T14-Q16 PolarHBondContact O-N 2.8Å; Q16-L19 PolarHBondContact O-N 3.06Å; Q16-Q20 WeakPolarHBondContact O-CG 3.32Å; Q16-Q20 PolarHBondContact O-N 3.02Å; Q16-Q20 VanDerWaalsContact O-N 3.16Å
17Q87Confident81.4Confident118 Ų118108.2 Ų108.255%0.55155%0.548SS*.Hα-helixtrans-70-38.9177-157.2172.81400112S13 T14 Q15 Q20 Q21S13-Q17 WeakPolarHBondContact O-CB 3.49Å; S13-Q17 PolarHBondContact O-N 3.49Å; T14-Q17 PolarHBondContact O-N 3.4Å; Q15-Q17 VanDerWaalsContact C-N 3.35Å; Q17-Q20 PolarHBondContact O-N 3.03Å; Q17-Q21 PolarHBondContact O-N 3.43Å
18T83.5Confident81.4Confident81 Ų81109.1 Ų109.150%0.49755%0.549SS..Hα-helixtrans-63.4-40.2174.1-47.70000111.8T14 Q15 Q21 F22T14-T18 PolarHBondContact O-N 2.99Å; T14-T18 PolarHBondContact O-OG1 2.9Å; Q15-T18 PolarHBondContact O-N 3.19Å; T18-Q21 PolarHBondContact O-N 3.3Å; T18-F22 PolarHBondContact O-N 3.49Å
19L82.5Confident81Confident119 Ų119110.4 Ų110.462%0.62355%0.551SS**Hα-helixtrans-64.1-39.3176.1-77.5167.5000112.4Q15 Q16 F22 A23Q15-L19 WeakPolarHBondContact O-CG 3.42Å; Q15-L19 PolarHBondContact O-N 3.34Å; Q15-L19 VanDerWaalsContact O-N 3.1Å; Q16-L19 PolarHBondContact O-N 3.06Å; L19-F22 PolarHBondContact O-N 3.3Å; L19-A23 PolarHBondContact O-N 3.01Å
20Q87Confident80.6Confident116 Ų116104.6 Ų104.654%0.54254%0.539SS..Hα-helixtrans-66.1-41.5176-75.4177.7-23.100112.4Q16 Q17 F22 A23 Q24Q16-Q20 WeakPolarHBondContact O-CG 3.32Å; Q16-Q20 PolarHBondContact O-N 3.02Å; Q16-Q20 VanDerWaalsContact O-N 3.16Å; Q17-Q20 PolarHBondContact O-N 3.03Å; Q20-F22 VanDerWaalsContact C-N 3.33Å; Q20-F22 PolarHBondContact O-N 3.35Å; Q20-A23 PolarHBondContact O-N 3.39Å; Q20-Q24 PolarHBondContact O-N 2.85Å
21Q84.2Confident80.3Confident123 Ų123106.7 Ų106.758%0.57554%0.542SS*.Hα-helixtrans-62.8-40.9175.3-76.5179.9-15.100112Q17 T18 Q24 L25Q17-Q21 PolarHBondContact O-N 3.43Å; T18-Q21 PolarHBondContact O-N 3.3Å; Q21-Q24 PolarHBondContact O-N 2.91Å; Q21-L25 WeakPolarHBondContact O-CB 3.16Å; Q21-L25 PolarHBondContact O-N 3.39Å
22F72.9Confident79.8Confident133 Ų133105.5 Ų105.558%0.58354%0.54SS*.Hα-helixtrans-62.9-43.4176.5-172.5-95.7000111.7T18 L19 Q20 L25 Q26T18-F22 PolarHBondContact O-N 3.49Å; L19-F22 PolarHBondContact O-N 3.3Å; Q20-F22 VanDerWaalsContact C-N 3.33Å; Q20-F22 PolarHBondContact O-N 3.35Å; F22-L25 PolarHBondContact O-N 2.92Å; F22-Q26 PolarHBondContact O-N 3.29Å
23A85.1Confident78.8Confident54 Ų54104.6 Ų104.645%0.44654%0.535SS..Hα-helixtrans-61.6-44.517700000112.4L19 Q20 L25 Q26 E27L19-A23 PolarHBondContact O-N 3.01Å; Q20-A23 PolarHBondContact O-N 3.39Å; A23-L25 PolarHBondContact O-N 2.85Å; A23-Q26 WeakPolarHBondContact O-CB 3.19Å; A23-Q26 PolarHBondContact O-N 2.82Å; A23-E27 PolarHBondContact O-N 2.97Å
24Q85.1Confident78Confident124 Ų124107.5 Ų107.558%0.57954%0.541SS*.Hα-helixtrans-63.3-40.2176.9-77-179.7-22.700112.6Q20 Q21 Q26 E27 Q28Q20-Q24 PolarHBondContact O-N 2.85Å; Q21-Q24 PolarHBondContact O-N 2.91Å; Q24-Q26 VanDerWaalsContact C-N 3.28Å; Q24-Q26 PolarHBondContact O-N 3.16Å; Q24-E27 PolarHBondContact O-N 2.94Å; Q24-Q28 WeakPolarHBondContact O-CG 3.41Å; Q24-Q28 PolarHBondContact O-N 3.22Å
25L76.9Confident77.3Confident112 Ų112112.9 Ų112.959%0.58655%0.553SS**Hα-helixtrans-63.9-38177-167.874.4000111.2Q21 F22 A23 F29Q21-L25 WeakPolarHBondContact O-CB 3.16Å; Q21-L25 PolarHBondContact O-N 3.39Å; F22-L25 PolarHBondContact O-N 2.92Å; A23-L25 PolarHBondContact O-N 2.85Å; L25-F29 WeakPolarHBondContact O-CB 3.45Å; L25-F29 PolarHBondContact O-N 3.47Å
26Q69.6Low76.4Confident124 Ų124111.4 Ų111.458%0.57955%0.549SS*.Hα-helixtrans-67-38.9178.3-148.7177.9-5.100111.7F22 A23 Q24 F29 A30F22-Q26 PolarHBondContact O-N 3.29Å; A23-Q26 WeakPolarHBondContact O-CB 3.19Å; A23-Q26 PolarHBondContact O-N 2.82Å; Q24-Q26 VanDerWaalsContact C-N 3.28Å; Q24-Q26 PolarHBondContact O-N 3.16Å; Q26-F29 PolarHBondContact O-N 3.24Å; Q26-A30 PolarHBondContact O-N 2.96Å
27E82.3Confident75Confident131 Ų131108.6 Ų108.661%0.61254%0.543SS*.Hα-helixtrans-67.1-45.5175.8-163169.8-157.600111.5A23 Q24 F29 A30 E31A23-E27 PolarHBondContact O-N 2.97Å; Q24-E27 PolarHBondContact O-N 2.94Å; E27-F29 VanDerWaalsContact C-N 3.3Å; E27-F29 PolarHBondContact O-N 3.36Å; E27-A30 PolarHBondContact O-N 3.46Å; E27-E31 PolarHBondContact O-N 3.25Å
28Q78.2Confident73.5Confident119 Ų119108.5 Ų108.556%0.55655%0.545SS*.Hα-helixtrans-61.1-38.1174.2-74.1-176.2-17.500112.6Q24 T32Q24-Q28 WeakPolarHBondContact O-CG 3.41Å; Q24-Q28 PolarHBondContact O-N 3.22Å; Q28-T32 WeakPolarHBondContact O-CB 3.36Å; Q28-T32 PolarHBondContact O-N 3.29Å; Q28-T32 PolarHBondContact O-OG1 3.24Å
29F64.8Low72.1Confident132 Ų132107.5 Ų107.558%0.57954%0.541SS*.Hα-helixtrans-66.4-41.8175.8-172.8-105.3000111.6L25 Q26 E27 T32 L33L25-F29 WeakPolarHBondContact O-CB 3.45Å; L25-F29 PolarHBondContact O-N 3.47Å; Q26-F29 PolarHBondContact O-N 3.24Å; E27-F29 VanDerWaalsContact C-N 3.3Å; E27-F29 PolarHBondContact O-N 3.36Å; F29-T32 PolarHBondContact O-N 3.43Å; F29-L33 HydrophobicContact CD1-CD1 3.85Å; F29-L33 HydrophobicContact CD1-CG 4.33Å; F29-L33 HydrophobicContact CE1-CD1 3.41Å; F29-L33 VanDerWaalsContact CE1-CD1 3.41Å; F29-L33 HydrophobicContact CE1-CG 4.02Å; F29-L33 HydrophobicContact CZ-CD1 4Å; F29-L33 HydrophobicContact CZ-CD2 4.37Å; F29-L33 HydrophobicContact CZ-CG 4.22Å; F29-L33 WeakPolarHBondContact O-CG 3.46Å; F29-L33 PolarHBondContact O-N 2.9Å
30A71.5Confident70.7Confident50 Ų50107.3 Ų107.341%0.41354%0.537SS..Hα-helixtrans-63.3-43.317600000112.2Q26 E27 T32 L33 Q34Q26-A30 PolarHBondContact O-N 2.96Å; E27-A30 PolarHBondContact O-N 3.46Å; A30-T32 VanDerWaalsContact C-N 3.32Å; A30-T32 PolarHBondContact O-N 3.49Å; A30-L33 PolarHBondContact O-N 3.47Å; A30-Q34 PolarHBondContact O-N 3.49Å
31E75.8Confident69Low110 Ų110104 Ų10451%0.51453%0.53SS..Hα-helixtrans-62.9-39.1174-73.3-172.5165.400112E27 Q34 R35E27-E31 PolarHBondContact O-N 3.25Å; E31-Q34 PolarHBondContact O-N 3.22Å; E31-R35 WeakPolarHBondContact O-CB 3.46Å; E31-R35 PolarHBondContact O-N 2.89Å
32T71.6Confident67.3Low79 Ų79102 Ų10249%0.48553%0.53SS..Hα-helixtrans-65.9-42.1177.2-55.10000110.9Q28 F29 A30 R35 L36Q28-T32 WeakPolarHBondContact O-CB 3.36Å; Q28-T32 PolarHBondContact O-N 3.29Å; Q28-T32 PolarHBondContact O-OG1 3.24Å; F29-T32 PolarHBondContact O-N 3.43Å; A30-T32 VanDerWaalsContact C-N 3.32Å; A30-T32 PolarHBondContact O-N 3.49Å; T32-R35 PolarHBondContact O-N 2.93Å; T32-L36 HydrophobicContact CG2-CD1 4.2Å; T32-L36 WeakPolarHBondContact O-CB 3.35Å; T32-L36 VanDerWaalsContact O-CG 3.28Å; T32-L36 WeakPolarHBondContact O-CG 3.44Å; T32-L36 PolarHBondContact O-N 2.92Å
33L60.2Low66Low88 Ų88100 Ų10046%0.46153%0.528SS..Hα-helixtrans-65.2-38.8174.1-74.1179.7000112.6F29 A30 L36 S37F29-L33 HydrophobicContact CD1-CD1 3.85Å; F29-L33 HydrophobicContact CD1-CG 4.33Å; F29-L33 HydrophobicContact CE1-CD1 3.41Å; F29-L33 VanDerWaalsContact CE1-CD1 3.41Å; F29-L33 HydrophobicContact CE1-CG 4.02Å; F29-L33 HydrophobicContact CZ-CD1 4Å; F29-L33 HydrophobicContact CZ-CD2 4.37Å; F29-L33 HydrophobicContact CZ-CG 4.22Å; F29-L33 WeakPolarHBondContact O-CG 3.46Å; F29-L33 PolarHBondContact O-N 2.9Å; A30-L33 PolarHBondContact O-N 3.47Å; L33-L36 PolarHBondContact O-N 3.37Å; L33-S37 WeakPolarHBondContact O-CB 3.05Å; L33-S37 PolarHBondContact O-N 3.21Å; L33-S37 PolarHBondContact O-OG 2.81Å
34Q69.2Low64.2Low128 Ų128102.4 Ų102.460%0.59853%0.53SS*.Hα-helixtrans-64.4-41.5172.9-81.8-174.3-1100111.6A30 E31 S37 L38A30-Q34 PolarHBondContact O-N 3.49Å; E31-Q34 PolarHBondContact O-N 3.22Å; Q34-S37 WeakPolarHBondContact CA-OG 3.38Å; Q34-S37 PolarHBondContact O-N 3.47Å; Q34-S37 PolarHBondContact O-OG 3.33Å; Q34-L38 WeakPolarHBondContact O-CB 3.22Å; Q34-L38 VanDerWaalsContact O-CG 3.25Å; Q34-L38 WeakPolarHBondContact O-CG 3.37Å; Q34-L38 PolarHBondContact O-N 3.37Å
35R68.6Low62.5Low186 Ų186104.6 Ų104.670%0.70254%0.541SS*.Hα-helixtrans-67.1-39177.3-164.3177.3-66.7-177.91.7111.9E31 T32 S39E31-R35 WeakPolarHBondContact O-CB 3.46Å; E31-R35 PolarHBondContact O-N 2.89Å; T32-R35 PolarHBondContact O-N 2.93Å; R35-S39 WeakPolarHBondContact O-CB 3.37Å; R35-S39 PolarHBondContact O-N 3Å; R35-S39 PolarHBondContact O-OG 3.31Å
36L62.5Low60.8Low91 Ų91106.9 Ų106.948%0.47655%0.55SS.*Hα-helixtrans-65.4-46.1174.8-73.4171000111.5T32 L33 S39 Q40T32-L36 HydrophobicContact CG2-CD1 4.2Å; T32-L36 WeakPolarHBondContact O-CB 3.35Å; T32-L36 VanDerWaalsContact O-CG 3.28Å; T32-L36 WeakPolarHBondContact O-CG 3.44Å; T32-L36 PolarHBondContact O-N 2.92Å; L33-L36 PolarHBondContact O-N 3.37Å; L36-S39 WeakPolarHBondContact CA-OG 3.38Å; L36-S39 PolarHBondContact O-N 3.24Å; L36-S39 PolarHBondContact O-OG 3.24Å; L36-Q40 WeakPolarHBondContact O-CB 3.4Å; L36-Q40 WeakPolarHBondContact O-CG 3Å; L36-Q40 PolarHBondContact O-N 3.07Å
37S55.9Low59.8Low62 Ų62106.5 Ų106.543%0.43456%0.556SS.*Hα-helixtrans-64.7-39.3176.755.20000113.1L33 Q34 Q40 A41L33-S37 WeakPolarHBondContact O-CB 3.05Å; L33-S37 PolarHBondContact O-N 3.21Å; L33-S37 PolarHBondContact O-OG 2.81Å; Q34-S37 WeakPolarHBondContact CA-OG 3.38Å; Q34-S37 PolarHBondContact O-N 3.47Å; Q34-S37 PolarHBondContact O-OG 3.33Å; S37-Q40 PolarHBondContact O-N 3.37Å; S37-A41 WeakPolarHBondContact O-CB 3.45Å; S37-A41 PolarHBondContact O-N 2.96Å
38L56.5Low58.1Low117 Ų117108.5 Ų108.561%0.61356%0.558SS**Hα-helixtrans-65.5-37.9173.3-72.8168.1000112Q34 A41 S42Q34-L38 WeakPolarHBondContact O-CB 3.22Å; Q34-L38 VanDerWaalsContact O-CG 3.25Å; Q34-L38 WeakPolarHBondContact O-CG 3.37Å; Q34-L38 PolarHBondContact O-N 3.37Å; L38-A41 PolarHBondContact O-N 2.74Å; L38-S42 WeakPolarHBondContact O-CB 3.5Å; L38-S42 PolarHBondContact O-N 2.9Å; L38-S42 PolarHBondContact O-OG 2.89Å
39S53.9Low56.9Low59 Ų59107.9 Ų107.941%0.41357%0.567SS.*Hα-helixtrans-68.9-36.2176.172.60000112.4R35 L36 T43R35-S39 WeakPolarHBondContact O-CB 3.37Å; R35-S39 PolarHBondContact O-N 3Å; R35-S39 PolarHBondContact O-OG 3.31Å; L36-S39 WeakPolarHBondContact CA-OG 3.38Å; L36-S39 PolarHBondContact O-N 3.24Å; L36-S39 PolarHBondContact O-OG 3.24Å; S39-T43 PolarHBondContact O-N 3.06Å; S39-T43 PolarHBondContact O-OG1 3.08Å
40Q53Low56.6Low115 Ų115108 Ų10854%0.53757%0.569SS.*Hα-helixtrans-69.8-41.1173-75.7-178.6-20.700111.4L36 S37 S42 T43 E44L36-Q40 WeakPolarHBondContact O-CB 3.4Å; L36-Q40 WeakPolarHBondContact O-CG 3Å; L36-Q40 PolarHBondContact O-N 3.07Å; S37-Q40 PolarHBondContact O-N 3.37Å; Q40-S42 VanDerWaalsContact C-N 3.33Å; Q40-S42 PolarHBondContact O-N 2.96Å; Q40-T43 WeakPolarHBondContact CA-OG1 3.49Å; Q40-T43 PolarHBondContact O-N 2.79Å; Q40-T43 PolarHBondContact O-OG1 2.77Å; Q40-E44 WeakPolarHBondContact O-CB 3.31Å; Q40-E44 WeakPolarHBondContact O-CG 3.41Å; Q40-E44 PolarHBondContact O-N 3.25Å
41A51.3Low56.3Low48 Ų48108.6 Ų108.640%0.39757%0.569SS.*Hα-helixtrans-60.7-42.8174.800000111.7S37 L38 T43 E44 E45S37-A41 WeakPolarHBondContact O-CB 3.45Å; S37-A41 PolarHBondContact O-N 2.96Å; L38-A41 PolarHBondContact O-N 2.74Å; A41-T43 VanDerWaalsContact C-N 3.28Å; A41-T43 PolarHBondContact O-N 2.97Å; A41-E44 PolarHBondContact O-N 2.74Å; A41-E45 PolarHBondContact O-N 3.33Å
42S47.9Very low56.5Low81 Ų81107 Ų10757%0.56657%0.567SS**Hα-helixtrans-66-28.5177.8-50.20000113.2L38 Q40L38-S42 WeakPolarHBondContact O-CB 3.5Å; L38-S42 PolarHBondContact O-N 2.9Å; L38-S42 PolarHBondContact O-OG 2.89Å; Q40-S42 VanDerWaalsContact C-N 3.33Å; Q40-S42 PolarHBondContact O-N 2.96Å
43T45.6Very low56.9Low89 Ų89105.4 Ų105.455%0.54656%0.555SS.*Hα-helixtrans-91.4-29.4178.736.50000112.9S39 Q40 A41S39-T43 PolarHBondContact O-N 3.06Å; S39-T43 PolarHBondContact O-OG1 3.08Å; Q40-T43 WeakPolarHBondContact CA-OG1 3.49Å; Q40-T43 PolarHBondContact O-N 2.79Å; Q40-T43 PolarHBondContact O-OG1 2.77Å; A41-T43 VanDerWaalsContact C-N 3.28Å; A41-T43 PolarHBondContact O-N 2.97Å
44E49Very low58.1Low105 Ų105105.6 Ų105.649%0.49156%0.556SS.*Hα-helixtrans-75.8-31.8175.2-76.9-170.8-171.300113.3Q40 A41 M46 R48Q40-E44 WeakPolarHBondContact O-CB 3.31Å; Q40-E44 WeakPolarHBondContact O-CG 3.41Å; Q40-E44 PolarHBondContact O-N 3.25Å; A41-E44 PolarHBondContact O-N 2.74Å; E44-M46 VanDerWaalsContact C-N 3.3Å; E44-M46 PolarHBondContact O-N 3.48Å; E44-R48 PolarHBondContact O-N 2.65Å; E44-R48 IonicContact OE2-NH2 2.77Å; E44-R48 PolarHBondContact OE2-NH2 3.34Å
45E48.7Very low58.8Low171 Ų171103 Ų10380%0.79955%0.549SS*.THydrogen-bonded Turntrans-70.1-25.5174.2-82.2-172.1156.400112.8A41A41-E45 PolarHBondContact O-N 3.33Å
46M41.5Very low59.8Low160 Ų16094.5 Ų94.579%0.78852%0.518SS*.THydrogen-bonded Turntrans-88.9-8.1-176.8-154.9160.564.300114.1E44E44-M46 VanDerWaalsContact C-N 3.3Å; E44-M46 PolarHBondContact O-N 3.48Å
47V47.5Very low60.9Low116 Ų11690.4 Ų90.470%0.70350%0.497SS*.SBendtrans-130.717-179.3-160.70000113.2S49V47-S49 VanDerWaalsContact C-N 3.26Å; V47-S49 PolarHBondContact O-N 3.09Å
48R46.9Very low62.5Low172 Ų17291.4 Ų91.465%0.64951%0.509SS*.  trans-9173.5153.4-83-174.5-111-177.8-5.4108.2E44 H50E44-R48 PolarHBondContact O-N 2.65Å; E44-R48 IonicContact OE2-NH2 2.77Å; E44-R48 PolarHBondContact OE2-NH2 3.34Å; R48-H50 VanDerWaalsContact C-N 3.26Å; R48-H50 PolarHBondContact O-N 2.96Å
49S52.4Low64.1Low107 Ų10789.5 Ų89.575%0.74851%0.505SS*.  trans-59.799.1161.956.10000106.6V47V47-S49 VanDerWaalsContact C-N 3.26Å; V47-S49 PolarHBondContact O-N 3.09Å
50H58.3Low65.8Low134 Ų13486.9 Ų86.962%0.6249%0.487SS*.PPolyproline II helixtrans-49.7130172.3-75.1-83.1000107.6R48 T52 E90R48-H50 VanDerWaalsContact C-N 3.26Å; R48-H50 PolarHBondContact O-N 2.96Å; H50-T52 PolarHBondContact O-N 3.28Å; H50-E90 IonicContact CE1-OE2 2.7Å; H50-E90 IonicContact ND1-OE2 3.19Å; H50-E90 PolarHBondContact ND1-OE2 3.15Å; H50-E90 VanDerWaalsContact ND1-OE2 3.17Å
51P67.1Low67.6Low62 Ų6284 Ų8440%0.40348%0.479SS..PPolyproline II helixtrans-57119.5-176.422.3-31.6000108.4T55 L56P51-T55 WeakPolarHBondContact CA-OG1 3.38Å; P51-L56 HydrophobicContact CB-CD2 3.88Å; P51-L56 HydrophobicContact CB-CG 4.02Å; P51-L56 HydrophobicContact CG-CD2 4.12Å; P51-L56 HydrophobicContact CG-CG 4.46Å
52T78.1Confident69.4Low77 Ų7786.2 Ų86.247%0.47248%0.481SS..PPolyproline II helixtrans-66.3153.1177.859.40000109.1H50 D54 T55 L56H50-T52 PolarHBondContact O-N 3.28Å; T52-D54 PolarHBondContact O-N 3.16Å; T52-T55 PolarHBondContact N-OG1 3.25Å; T52-T55 PolarHBondContact O-N 2.89Å; T52-T55 PolarHBondContact O-OG1 3.14Å; T52-T55 WeakPolarHBondContact OG1-CG2 3.46Å; T52-T55 PolarHBondContact OG1-N 3.29Å; T52-T55 PolarHBondContact OG1-OG1 2.91Å; T52-L56 PolarHBondContact O-N 3.27Å
53L80.9Confident71.2Confident45 Ų4582.6 Ų82.624%0.23646%0.455CS..Hα-helixtrans-55.2-29.4177.8-164.6147.9000111.7A57 R98 L99L53-A57 WeakPolarHBondContact O-CB 3.46Å; L53-A57 PolarHBondContact O-N 3.45Å; L53-R98 HydrophobicContact CD1-CB 4.48Å; L53-L99 HydrophobicContact CD2-CD1 4.18Å; L53-L99 HydrophobicContact CG-CB 4.37Å; L53-L99 HydrophobicContact CG-CD1 4.36Å
54D84.5Confident72.9Confident92 Ų9281.2 Ų81.249%0.49245%0.445SS..Hα-helixtrans-67.8-42.6173.2-66.9-44.5000113T52 A57 A58 R102T52-D54 PolarHBondContact O-N 3.16Å; D54-A57 PolarHBondContact O-N 3.45Å; D54-A58 PolarHBondContact O-N 2.97Å; D54-R102 IonicContact OD1-CZ 3.18Å; D54-R102 IonicContact OD1-NH1 2.87Å; D54-R102 PolarHBondContact OD1-NH1 3.11Å; D54-R102 IonicContact OD1-NH2 3.11Å; D54-R102 PolarHBondContact OD1-NH2 3.1Å
55T85.7Confident74.1Confident73 Ų7378.1 Ų78.145%0.44843%0.429SS..Hα-helixtrans-64.9-40.9174.454.40000112.3P51 T52 A58 S59P51-T55 WeakPolarHBondContact CA-OG1 3.38Å; T52-T55 PolarHBondContact N-OG1 3.25Å; T52-T55 PolarHBondContact O-N 2.89Å; T52-T55 PolarHBondContact O-OG1 3.14Å; T52-T55 WeakPolarHBondContact OG1-CG2 3.46Å; T52-T55 PolarHBondContact OG1-N 3.29Å; T52-T55 PolarHBondContact OG1-OG1 2.91Å; T55-A58 PolarHBondContact O-N 2.96Å; T55-S59 PolarHBondContact O-OG 3.29Å
56L88.1Confident75.2Confident9 Ų973.6 Ų73.65%0.04741%0.41CS..Hα-helixtrans-66.2-41.2175.7-64.6173.6000111.3P51 T52 A58 S59 F83 E87 L91 L99P51-L56 HydrophobicContact CB-CD2 3.88Å; P51-L56 HydrophobicContact CB-CG 4.02Å; P51-L56 HydrophobicContact CG-CD2 4.12Å; P51-L56 HydrophobicContact CG-CG 4.46Å; T52-L56 PolarHBondContact O-N 3.27Å; L56-A58 VanDerWaalsContact C-N 3.33Å; L56-A58 PolarHBondContact O-N 2.61Å; L56-S59 PolarHBondContact O-N 3.24Å; L56-F83 HydrophobicContact CB-CE1 4.34Å; L56-F83 HydrophobicContact CB-CZ 4.02Å; L56-F83 HydrophobicContact CD2-CE1 4.33Å; L56-F83 HydrophobicContact CD2-CE2 4.38Å; L56-F83 HydrophobicContact CD2-CZ 3.63Å; L56-F83 HydrophobicContact CG-CZ 4.43Å; L56-E87 HydrophobicContact CD2-CB 4.48Å; L56-L91 HydrophobicContact CD1-CD1 3.72Å; L56-L91 HydrophobicContact CD1-CD2 4.44Å; L56-L91 HydrophobicContact CD1-CG 4.23Å; L56-L99 HydrophobicContact CB-CD1 4.42Å; L56-L99 HydrophobicContact CB-CD2 3.95Å; L56-L99 HydrophobicContact CD1-CD2 4.48Å
57A86.9Confident76.3Confident4 Ų470.8 Ų70.83%0.03340%0.404CS..Hα-helixtrans-61.4-41.5174.700000111.2L53 D54 S59 I60 L99 K103L53-A57 WeakPolarHBondContact O-CB 3.46Å; L53-A57 PolarHBondContact O-N 3.45Å; D54-A57 PolarHBondContact O-N 3.45Å; A57-S59 PolarHBondContact O-N 3.27Å; A57-S59 VanDerWaalsContact O-N 3.11Å; A57-I60 PolarHBondContact O-N 3.14Å; A57-L99 HydrophobicContact CB-CD1 3.68Å; A57-K103 WeakPolarHBondContact O-CE 3.42Å; A57-K103 PolarHBondContact O-NZ 3.32Å
58A88.4Confident77Confident84 Ų8468.6 Ų68.669%0.69441%0.405SS*.Hα-helixtrans-58.2-27.9179.900000113.2D54 T55 L56 I60D54-A58 PolarHBondContact O-N 2.97Å; T55-A58 PolarHBondContact O-N 2.96Å; L56-A58 VanDerWaalsContact C-N 3.33Å; L56-A58 PolarHBondContact O-N 2.61Å; A58-I60 VanDerWaalsContact C-N 3.35Å
59S89.9Confident77.9Confident76 Ų7663.4 Ų63.453%0.53139%0.392SS..THydrogen-bonded Turntrans-79.5-11.1178.8-56.30000114.7T55 L56 A57T55-S59 PolarHBondContact O-OG 3.29Å; L56-S59 PolarHBondContact O-N 3.24Å; A57-S59 PolarHBondContact O-N 3.27Å; A57-S59 VanDerWaalsContact O-N 3.11Å
60I91Very high78.3Confident5 Ų560.6 Ų60.63%0.02637%0.367CS..SBendtrans-110.6127.6-177.5-58.5164.8000109.9A57 A58 W76 Y80 F83 F84 L99 K103A57-I60 PolarHBondContact O-N 3.14Å; A58-I60 VanDerWaalsContact C-N 3.35Å; I60-W76 HydrophobicContact CG2-CH2 4.09Å; I60-W76 HydrophobicContact CG2-CZ2 3.51Å; I60-Y80 HydrophobicContact CB-CE1 4.46Å; I60-Y80 HydrophobicContact CG1-CD1 4.14Å; I60-Y80 HydrophobicContact CG1-CE1 4.48Å; I60-Y80 HydrophobicContact CG2-CD1 4.27Å; I60-Y80 HydrophobicContact CG2-CD2 4.05Å; I60-Y80 HydrophobicContact CG2-CE1 4.3Å; I60-Y80 HydrophobicContact CG2-CE2 4.08Å; I60-Y80 HydrophobicContact CG2-CG 4.15Å; I60-F83 HydrophobicContact CD1-CD1 3.77Å; I60-F83 HydrophobicContact CD1-CE1 3.49Å; I60-F83 VanDerWaalsContact CD1-CE1 3.49Å; I60-F83 HydrophobicContact CD1-CZ 4.35Å; I60-F83 HydrophobicContact CG1-CD1 3.99Å; I60-F83 HydrophobicContact CG1-CE1 3.84Å; I60-F83 HydrophobicContact CG1-CZ 4.34Å; I60-F84 HydrophobicContact CD1-CE1 4.48Å; I60-F84 HydrophobicContact CD1-CE2 4.11Å; I60-F84 HydrophobicContact CD1-CZ 3.8Å; I60-L99 HydrophobicContact CD1-CD1 4.32Å; I60-L99 HydrophobicContact CD1-CD2 4.12Å; I60-L99 HydrophobicContact CD1-CG 4.17Å; I60-K103 HydrophobicContact CB-CD 4.13Å; I60-K103 HydrophobicContact CB-CG 4.12Å; I60-K103 HydrophobicContact CG2-CB 4.26Å; I60-K103 HydrophobicContact CG2-CD 4.09Å; I60-K103 HydrophobicContact CG2-CG 3.85Å; I60-K103 WeakPolarHBondContact O-CD 3.36Å; I60-K103 VanDerWaalsContact O-CE 3.27Å; I60-K103 WeakPolarHBondContact O-CE 3.43Å; I60-K103 PolarHBondContact O-NZ 3.4Å
61S90.1Very high78.9Confident53 Ų5358.2 Ų58.237%0.37136%0.359SS..PPolyproline II helixtrans-72.2147171.965.30000111.3W76 Y80S61-W76 VanDerWaalsContact O-CZ2 3.28Å; S61-W76 WeakPolarHBondContact O-CZ2 3.44Å; S61-W76 PolarHBondContact O-NE1 2.77Å; S61-Y80 WeakPolarHBondContact CB-OH 3.43Å; S61-Y80 PolarHBondContact N-OH 2.83Å; S61-Y80 PolarHBondContact OG-OH 3.34Å
62E88.5Confident79.6Confident95 Ų9555.9 Ų55.944%0.44434%0.344SS..PPolyproline II helixtrans-70.1139.7178.4-62.2177.6161.600111.2K103 R105E62-K103 CarbonylContact C-O 3.57Å; E62-K103 WeakPolarHBondContact CA-O 3.45Å; E62-K103 HydrophobicContact CG-CD 4.25Å; E62-R105 HydrophobicContact CB-CG 3.86Å; E62-R105 IonicContact OE2-CZ 3.16Å; E62-R105 VanDerWaalsContact OE2-CZ 3.23Å; E62-R105 IonicContact OE2-NE 2.71Å; E62-R105 PolarHBondContact OE2-NE 3.5Å; E62-R105 IonicContact OE2-NH2 2.82Å; E62-R105 PolarHBondContact OE2-NH2 2.95Å
63F85.9Confident80Confident5 Ų552.2 Ų52.22%0.02232%0.321CS..BIsolated β-bridgetrans-85.5122.5171.7179.1-114000110.1Y65 D71 F73 W76 K103 L104 R105 F137F63-Y65 HydrophobicContact CE1-CD2 4.4Å; F63-Y65 HydrophobicContact CZ-CD2 4.05Å; F63-D71 VanDerWaalsContact CE2-O 3.26Å; F63-D71 WeakPolarHBondContact CE2-O 3.46Å; F63-F73 HydrophobicContact CD1-CD2 4.29Å; F63-F73 HydrophobicContact CE1-CB 4.05Å; F63-F73 HydrophobicContact CE1-CD2 4.24Å; F63-F73 HydrophobicContact CE2-CB 4.36Å; F63-F73 HydrophobicContact CZ-CB 3.78Å; F63-W76 HydrophobicContact CB-CD2 3.75Å; F63-W76 HydrophobicContact CB-CE3 4.23Å; F63-W76 HydrophobicContact CB-CG 3.98Å; F63-W76 HydrophobicContact CB-CZ2 4.16Å; F63-W76 HydrophobicContact CD2-CB 3.48Å; F63-W76 VanDerWaalsContact CD2-CB 3.48Å; F63-W76 AromaticContact CD2-CD1 3.96Å; F63-W76 HydrophobicContact CD2-CD2 4.04Å; F63-W76 AromaticContact CD2-CG 3.53Å; F63-W76 HydrophobicContact CD2-CG 3.53Å; F63-W76 HydrophobicContact CE2-CB 3.9Å; F63-W76 HydrophobicContact CE2-CG 4.42Å; F63-W76 HydrophobicContact CG-CB 4.43Å; F63-W76 HydrophobicContact CG-CD2 4.16Å; F63-W76 HydrophobicContact CG-CE3 4.48Å; F63-W76 HydrophobicContact CG-CG 4.12Å; F63-K103 PolarHBondContact N-O 2.96Å; F63-L104 HydrophobicContact CB-CD2 4.08Å; F63-L104 HydrophobicContact CD1-CD2 3.63Å; F63-L104 HydrophobicContact CG-CD2 4.23Å; F63-R105 WeakPolarHBondContact O-CB 3.49Å; F63-R105 PolarHBondContact O-N 3.21Å; F63-F137 HydrophobicContact CE1-CB 3.98Å; F63-F137 HydrophobicContact CE1-CG 4.29Å; F63-F137 HydrophobicContact CZ-CB 4.18Å
64D80.8Confident80.2Confident60 Ų6054 Ų5432%0.32133%0.328SS..  trans-113.5110.4173.7-154.3-5.5000108.8D66 R105 N107D64-D66 PolarHBondContact O-N 3.03Å; D64-R105 IonicContact OD2-NH1 3.09Å; D64-N107 WeakPolarHBondContact OD1-CB 3.5Å; D64-N107 PolarHBondContact OD1-ND2 2.99Å; D64-N107 PolarHBondContact OD2-ND2 3.25Å
65Y75.1Confident80.1Confident41 Ų4152.2 Ų52.216%0.16132%0.321CS..  trans-80.7113.2-179.8-179.8-111.6000110.2F63 P67 F137F63-Y65 HydrophobicContact CE1-CD2 4.4Å; F63-Y65 HydrophobicContact CZ-CD2 4.05Å; Y65-P67 HydrophobicContact CD1-CG 4.33Å; Y65-P67 HydrophobicContact CE1-CB 4.45Å; Y65-P67 HydrophobicContact CE1-CG 3.67Å; Y65-F137 AromaticContact CD1-CD1 3.68Å; Y65-F137 HydrophobicContact CD1-CD1 3.68Å; Y65-F137 HydrophobicContact CD1-CE1 4.19Å; Y65-F137 HydrophobicContact CD2-CB 3.86Å; Y65-F137 AromaticContact CD2-CD1 3.92Å; Y65-F137 HydrophobicContact CD2-CD1 3.92Å; Y65-F137 HydrophobicContact CD2-CG 4.32Å; Y65-F137 HydrophobicContact CE1-CD1 4.01Å; Y65-F137 HydrophobicContact CE2-CB 4.11Å; Y65-F137 HydrophobicContact CE2-CD1 4.26Å; Y65-F137 HydrophobicContact CG-CB 4.36Å; Y65-F137 AromaticContact CG-CD1 3.62Å; Y65-F137 HydrophobicContact CG-CD1 3.62Å; Y65-F137 HydrophobicContact CG-CE1 4.42Å; Y65-F137 HydrophobicContact CG-CG 4.34Å
66D70.8Confident80.3Confident75 Ų7549 Ų4940%0.40130%0.301SS..  trans-119.1114.2167.5173.92000109.3D64 G68 T69D64-D66 PolarHBondContact O-N 3.03Å; D66-G68 PolarHBondContact O-N 3.14Å; D66-G68 VanDerWaalsContact O-N 3.14Å; D66-G68 WeakPolarHBondContact OD1-CA 3.23Å; D66-G68 PolarHBondContact OD1-N 3Å; D66-T69 HydrophobicContact CB-CG2 3.89Å; D66-T69 WeakPolarHBondContact CB-OG1 3.23Å; D66-T69 CarbonylContact O-C 3.49Å; D66-T69 PolarHBondContact O-N 2.85Å; D66-T69 PolarHBondContact O-OG1 3.23Å; D66-T69 VanDerWaalsContact O-OG1 3.05Å; D66-T69 WeakPolarHBondContact OD2-CG2 3.36Å
67P64.9Low80.4Confident101 Ų10149.4 Ų49.466%0.65630%0.302SS*.THydrogen-bonded Turntrans-57.5-24176.9-19.827.8000114.8Y65Y65-P67 HydrophobicContact CD1-CG 4.33Å; Y65-P67 HydrophobicContact CE1-CB 4.45Å; Y65-P67 HydrophobicContact CE1-CG 3.67Å
68G63.6Low80.6Confident70 Ų7052.6 Ų52.672%0.72232%0.324SS*.THydrogen-bonded Turntrans-82.6-23175.800000113.1D66D66-G68 PolarHBondContact O-N 3.14Å; D66-G68 VanDerWaalsContact O-N 3.14Å; D66-G68 WeakPolarHBondContact OD1-CA 3.23Å; D66-G68 PolarHBondContact OD1-N 3Å
69T64.3Low80.6Confident63 Ų6354.9 Ų54.939%0.38732%0.315SS..SBendtrans-93.6158.7173.173.10000110.7D66D66-T69 HydrophobicContact CB-CG2 3.89Å; D66-T69 WeakPolarHBondContact CB-OG1 3.23Å; D66-T69 CarbonylContact O-C 3.49Å; D66-T69 PolarHBondContact O-N 2.85Å; D66-T69 PolarHBondContact O-OG1 3.23Å; D66-T69 VanDerWaalsContact O-OG1 3.05Å; D66-T69 WeakPolarHBondContact OD2-CG2 3.36Å
70E60.5Low80.7Confident48 Ų4853.3 Ų53.322%0.22430%0.297CS..SBendtrans-95.68.4-175.4-63.7-172169.600113.5T72 R149 R170 R174E70-T72 VanDerWaalsContact C-N 3.25Å; E70-T72 PolarHBondContact O-N 3.4Å; E70-R149 IonicContact OE1-CZ 2.77Å; E70-R149 IonicContact OE1-NH1 3.57Å; E70-R149 PolarHBondContact OE1-NH1 2.73Å; E70-R149 IonicContact OE1-NH2 2.66Å; E70-R149 PolarHBondContact OE1-NH2 3.36Å; E70-R170 IonicContact OE2-CZ 2.69Å; E70-R170 VanDerWaalsContact OE2-CZ 3.26Å; E70-R170 IonicContact OE2-NE 3.43Å; E70-R170 PolarHBondContact OE2-NE 3.36Å; E70-R170 IonicContact OE2-NH2 3.14Å; E70-R170 PolarHBondContact OE2-NH2 2.77Å; E70-R174 PolarHBondContact O-NH2 2.96Å; E70-R174 VanDerWaalsContact O-NH2 3.07Å; E70-R174 IonicContact OE2-NH1 3.03Å; E70-R174 PolarHBondContact OE2-NH1 2.98Å; E70-R174 VanDerWaalsContact OE2-NH1 3.11Å
71D71.7Confident80.7Confident85 Ų8557.3 Ų57.346%0.45532%0.316SS..  trans-76.774.9175.4-83.3-35.8000110.3F63 R79F63-D71 VanDerWaalsContact CE2-O 3.26Å; F63-D71 WeakPolarHBondContact CE2-O 3.46Å; D71-R79 IonicContact OD1-NH2 3.9Å
72T82.1Confident80.6Confident13 Ų1360.3 Ų60.38%0.0833%0.328CS..  trans-69.3158.317461.20000111.9E70 E74 T75 W76 Q139E70-T72 VanDerWaalsContact C-N 3.25Å; E70-T72 PolarHBondContact O-N 3.4Å; T72-E74 VanDerWaalsContact C-N 3.27Å; T72-E74 PolarHBondContact O-N 3.08Å; T72-T75 PolarHBondContact O-N 3.39Å; T72-T75 VanDerWaalsContact O-N 3.15Å; T72-T75 PolarHBondContact OG1-N 3.25Å; T72-T75 PolarHBondContact OG1-OG1 3.16Å; T72-W76 PolarHBondContact O-N 3.16Å; T72-Q139 HydrophobicContact CG2-CB 4.3Å
73F86.1Confident80.7Confident0 Ų057.1 Ų57.10%031%0.313CS..Hα-helixtrans-57.6-39.2176.5175.4-96.9000112.4F63 T75 W76 F77 L100 L104 V130 L133 T134 F137F63-F73 HydrophobicContact CD1-CD2 4.29Å; F63-F73 HydrophobicContact CE1-CB 4.05Å; F63-F73 HydrophobicContact CE1-CD2 4.24Å; F63-F73 HydrophobicContact CE2-CB 4.36Å; F63-F73 HydrophobicContact CZ-CB 3.78Å; F73-T75 VanDerWaalsContact C-N 3.33Å; F73-T75 PolarHBondContact O-N 3.06Å; F73-W76 HydrophobicContact CD2-CE3 4.07Å; F73-W76 HydrophobicContact CD2-CZ3 4.37Å; F73-W76 AromaticContact CE2-CE3 3.93Å; F73-W76 HydrophobicContact CE2-CE3 3.93Å; F73-W76 AromaticContact CE2-CZ3 3.8Å; F73-W76 HydrophobicContact CE2-CZ3 3.8Å; F73-W76 PolarHBondContact O-N 3.35Å; F73-F77 HydrophobicContact CD1-CB 4.46Å; F73-F77 HydrophobicContact CE1-CB 4.11Å; F73-F77 HydrophobicContact CE1-CD2 4.41Å; F73-F77 HydrophobicContact CE1-CG 4.28Å; F73-F77 HydrophobicContact CZ-CB 4.16Å; F73-F77 AromaticContact CZ-CD2 3.92Å; F73-F77 HydrophobicContact CZ-CD2 3.92Å; F73-F77 HydrophobicContact CZ-CG 4.22Å; F73-F77 VanDerWaalsContact O-CB 3.22Å; F73-F77 WeakPolarHBondContact O-CB 3.47Å; F73-F77 PolarHBondContact O-N 2.74Å; F73-L100 HydrophobicContact CE2-CD1 4.05Å; F73-L100 HydrophobicContact CZ-CD1 4.12Å; F73-L100 HydrophobicContact CZ-CD2 4.32Å; F73-L104 HydrophobicContact CD2-CD2 4.12Å; F73-L104 HydrophobicContact CE2-CD2 4.01Å; F73-V130 HydrophobicContact CE1-CG1 4.13Å; F73-L133 HydrophobicContact CD1-CB 3.78Å; F73-L133 HydrophobicContact CD2-CB 4.08Å; F73-L133 HydrophobicContact CE1-CB 3.54Å; F73-L133 HydrophobicContact CE1-CD1 4.39Å; F73-L133 HydrophobicContact CE2-CB 3.87Å; F73-L133 HydrophobicContact CE2-CD1 3.69Å; F73-L133 HydrophobicContact CE2-CG 4.39Å; F73-L133 HydrophobicContact CG-CB 4.04Å; F73-L133 HydrophobicContact CZ-CB 3.6Å; F73-L133 HydrophobicContact CZ-CD1 3.61Å; F73-L133 HydrophobicContact CZ-CG 4.27Å; F73-T134 WeakPolarHBondContact CD1-OG1 3.48Å; F73-F137 HydrophobicContact CB-CB 3.7Å; F73-F137 PolarHBondContact N-O 2.86Å
74E85.1Confident81Confident81 Ų8156.9 Ų56.938%0.37931%0.312SS..Hα-helixtrans-58.5-44177.3-64.9166134.700112T72 F77 S78 T134 Q139T72-E74 VanDerWaalsContact C-N 3.27Å; T72-E74 PolarHBondContact O-N 3.08Å; E74-F77 PolarHBondContact O-N 3.21Å; E74-S78 WeakPolarHBondContact O-CB 3.45Å; E74-S78 PolarHBondContact O-N 3.01Å; E74-S78 PolarHBondContact O-OG 3.18Å; E74-T134 HydrophobicContact CG-CG2 3.48Å; E74-T134 VanDerWaalsContact CG-CG2 3.48Å; E74-T134 WeakPolarHBondContact OE1-CG2 3.5Å; E74-Q139 PolarHBondContact OE2-N 2.94Å
75T83.2Confident81.3Confident56 Ų5658.6 Ų58.634%0.34432%0.321SS..Hα-helixtrans-71.7-32.3179.9-53.50000112.3T72 F73 S78 R79T72-T75 PolarHBondContact O-N 3.39Å; T72-T75 VanDerWaalsContact O-N 3.15Å; T72-T75 PolarHBondContact OG1-N 3.25Å; T72-T75 PolarHBondContact OG1-OG1 3.16Å; F73-T75 VanDerWaalsContact C-N 3.33Å; F73-T75 PolarHBondContact O-N 3.06Å; T75-S78 PolarHBondContact O-OG 3.37Å; T75-R79 PolarHBondContact O-NE 3.33Å
76W89.5Confident81.9Confident4 Ų462 Ų622%0.01534%0.34CS..Hα-helixtrans-71.7-46.4172.1175.190000111.3I60 S61 F63 T72 F73 S78 R79 Y80 L100 K103I60-W76 HydrophobicContact CG2-CH2 4.09Å; I60-W76 HydrophobicContact CG2-CZ2 3.51Å; S61-W76 VanDerWaalsContact O-CZ2 3.28Å; S61-W76 WeakPolarHBondContact O-CZ2 3.44Å; S61-W76 PolarHBondContact O-NE1 2.77Å; F63-W76 HydrophobicContact CB-CD2 3.75Å; F63-W76 HydrophobicContact CB-CE3 4.23Å; F63-W76 HydrophobicContact CB-CG 3.98Å; F63-W76 HydrophobicContact CB-CZ2 4.16Å; F63-W76 HydrophobicContact CD2-CB 3.48Å; F63-W76 VanDerWaalsContact CD2-CB 3.48Å; F63-W76 AromaticContact CD2-CD1 3.96Å; F63-W76 HydrophobicContact CD2-CD2 4.04Å; F63-W76 AromaticContact CD2-CG 3.53Å; F63-W76 HydrophobicContact CD2-CG 3.53Å; F63-W76 HydrophobicContact CE2-CB 3.9Å; F63-W76 HydrophobicContact CE2-CG 4.42Å; F63-W76 HydrophobicContact CG-CB 4.43Å; F63-W76 HydrophobicContact CG-CD2 4.16Å; F63-W76 HydrophobicContact CG-CE3 4.48Å; F63-W76 HydrophobicContact CG-CG 4.12Å; T72-W76 PolarHBondContact O-N 3.16Å; F73-W76 HydrophobicContact CD2-CE3 4.07Å; F73-W76 HydrophobicContact CD2-CZ3 4.37Å; F73-W76 AromaticContact CE2-CE3 3.93Å; F73-W76 HydrophobicContact CE2-CE3 3.93Å; F73-W76 AromaticContact CE2-CZ3 3.8Å; F73-W76 HydrophobicContact CE2-CZ3 3.8Å; F73-W76 PolarHBondContact O-N 3.35Å; W76-S78 PolarHBondContact O-N 3.43Å; W76-R79 WeakPolarHBondContact O-CB 3.33Å; W76-R79 PolarHBondContact O-N 2.66Å; W76-Y80 HydrophobicContact CD2-CD2 4.37Å; W76-Y80 AromaticContact CE2-CD2 3.98Å; W76-Y80 AromaticContact CE2-CE2 3.98Å; W76-Y80 HydrophobicContact CZ2-CD2 4.2Å; W76-Y80 HydrophobicContact CZ2-CE2 4.4Å; W76-Y80 AromaticContact NE1-CE2 3.69Å; W76-Y80 WeakPolarHBondContact O-CD2 3.36Å; W76-L100 HydrophobicContact CH2-CD1 3.85Å; W76-L100 HydrophobicContact CZ3-CD1 3.61Å; W76-K103 HydrophobicContact CH2-CB 4.06Å; W76-K103 HydrophobicContact CZ2-CB 3.96Å
77F91Very high82.6Confident19 Ų1963.3 Ų63.38%0.08334%0.344CS..Hα-helixtrans-65.5-40.5-176.9-173.3-99000111.9F73 E74 R79 Y80 E81 F84 L100 F126 V130F73-F77 HydrophobicContact CD1-CB 4.46Å; F73-F77 HydrophobicContact CE1-CB 4.11Å; F73-F77 HydrophobicContact CE1-CD2 4.41Å; F73-F77 HydrophobicContact CE1-CG 4.28Å; F73-F77 HydrophobicContact CZ-CB 4.16Å; F73-F77 AromaticContact CZ-CD2 3.92Å; F73-F77 HydrophobicContact CZ-CD2 3.92Å; F73-F77 HydrophobicContact CZ-CG 4.22Å; F73-F77 VanDerWaalsContact O-CB 3.22Å; F73-F77 WeakPolarHBondContact O-CB 3.47Å; F73-F77 PolarHBondContact O-N 2.74Å; E74-F77 PolarHBondContact O-N 3.21Å; F77-R79 PolarHBondContact O-N 2.97Å; F77-Y80 CarbonylContact O-C 3.58Å; F77-Y80 WeakPolarHBondContact O-CA 3.25Å; F77-Y80 PolarHBondContact O-N 3.17Å; F77-E81 HydrophobicContact CD1-CB 4.31Å; F77-E81 HydrophobicContact CE1-CB 4.08Å; F77-E81 HydrophobicContact CE1-CG 3.99Å; F77-E81 PolarHBondContact O-N 2.57Å; F77-F84 HydrophobicContact CD2-CD2 4.47Å; F77-F84 HydrophobicContact CD2-CE2 4.46Å; F77-F84 AromaticContact CE2-CD2 3.76Å; F77-F84 HydrophobicContact CE2-CD2 3.76Å; F77-F84 HydrophobicContact CE2-CE2 4.04Å; F77-F84 HydrophobicContact CE2-CG 4.42Å; F77-F84 HydrophobicContact CZ-CD2 4.33Å; F77-L100 HydrophobicContact CD2-CD1 4.21Å; F77-L100 HydrophobicContact CE2-CD1 4.32Å; F77-F126 AromaticContact CE2-CZ 3.89Å; F77-F126 HydrophobicContact CE2-CZ 3.89Å; F77-F126 HydrophobicContact CZ-CE1 4.09Å; F77-F126 AromaticContact CZ-CZ 3.91Å; F77-F126 HydrophobicContact CZ-CZ 3.91Å; F77-V130 HydrophobicContact CD1-CG1 4.13Å; F77-V130 HydrophobicContact CD2-CG2 4.46Å; F77-V130 HydrophobicContact CE1-CG1 3.88Å; F77-V130 HydrophobicContact CE1-CG2 4.31Å; F77-V130 HydrophobicContact CE2-CG1 4.47Å; F77-V130 HydrophobicContact CE2-CG2 3.73Å; F77-V130 HydrophobicContact CZ-CG1 4.07Å; F77-V130 HydrophobicContact CZ-CG2 3.64Å
78S89.3Confident83.7Confident71 Ų7158.5 Ų58.550%0.49731%0.313SS..THydrogen-bonded Turntrans-59.5-22.5178.973.70000113.8E74 T75 W76 Y80E74-S78 WeakPolarHBondContact O-CB 3.45Å; E74-S78 PolarHBondContact O-N 3.01Å; E74-S78 PolarHBondContact O-OG 3.18Å; T75-S78 PolarHBondContact O-OG 3.37Å; W76-S78 PolarHBondContact O-N 3.43Å; S78-Y80 VanDerWaalsContact C-N 3.3Å
79R89.6Confident84.8Confident132 Ų13257.4 Ų57.450%0.49830%0.298SS..THydrogen-bonded Turntrans-74.4-23175-68.8177.3-96.1176.8-9.8112.9D71 T75 W76 F77D71-R79 IonicContact OD1-NH2 3.9Å; T75-R79 PolarHBondContact O-NE 3.33Å; W76-R79 WeakPolarHBondContact O-CB 3.33Å; W76-R79 PolarHBondContact O-N 2.66Å; F77-R79 PolarHBondContact O-N 2.97Å
80Y92Very high85.8Confident42 Ų4261.8 Ų61.817%0.16531%0.313CS..THydrogen-bonded Turntrans-121.24.8-175.6-59.5-70.3000112.3I60 S61 W76 F77 S78 D82 F83 F84I60-Y80 HydrophobicContact CB-CE1 4.46Å; I60-Y80 HydrophobicContact CG1-CD1 4.14Å; I60-Y80 HydrophobicContact CG1-CE1 4.48Å; I60-Y80 HydrophobicContact CG2-CD1 4.27Å; I60-Y80 HydrophobicContact CG2-CD2 4.05Å; I60-Y80 HydrophobicContact CG2-CE1 4.3Å; I60-Y80 HydrophobicContact CG2-CE2 4.08Å; I60-Y80 HydrophobicContact CG2-CG 4.15Å; S61-Y80 WeakPolarHBondContact CB-OH 3.43Å; S61-Y80 PolarHBondContact N-OH 2.83Å; S61-Y80 PolarHBondContact OG-OH 3.34Å; W76-Y80 HydrophobicContact CD2-CD2 4.37Å; W76-Y80 AromaticContact CE2-CD2 3.98Å; W76-Y80 AromaticContact CE2-CE2 3.98Å; W76-Y80 HydrophobicContact CZ2-CD2 4.2Å; W76-Y80 HydrophobicContact CZ2-CE2 4.4Å; W76-Y80 AromaticContact NE1-CE2 3.69Å; W76-Y80 WeakPolarHBondContact O-CD2 3.36Å; F77-Y80 CarbonylContact O-C 3.58Å; F77-Y80 WeakPolarHBondContact O-CA 3.25Å; F77-Y80 PolarHBondContact O-N 3.17Å; S78-Y80 VanDerWaalsContact C-N 3.3Å; Y80-D82 PolarHBondContact O-N 2.84Å; Y80-F83 WeakPolarHBondContact O-CA 3.42Å; Y80-F83 VanDerWaalsContact O-CB 3.27Å; Y80-F83 WeakPolarHBondContact O-CB 3.47Å; Y80-F83 PolarHBondContact O-N 2.97Å; Y80-F84 VanDerWaalsContact O-CD2 3.23Å; Y80-F84 WeakPolarHBondContact O-CD2 3.4Å; Y80-F84 PolarHBondContact O-N 3.02Å
81E90.8Very high87.1Confident90 Ų9061.4 Ų61.442%0.42131%0.313SS..Hα-helixtrans-59-48.7-178-179.1170.6-16800110.7F77 F83 F84 N85F77-E81 HydrophobicContact CD1-CB 4.31Å; F77-E81 HydrophobicContact CE1-CB 4.08Å; F77-E81 HydrophobicContact CE1-CG 3.99Å; F77-E81 PolarHBondContact O-N 2.57Å; E81-F83 VanDerWaalsContact C-N 3.27Å; E81-F83 PolarHBondContact O-N 3.01Å; E81-F84 PolarHBondContact O-N 3.31Å; E81-F84 VanDerWaalsContact O-N 3.16Å; E81-N85 WeakPolarHBondContact O-CB 3.29Å; E81-N85 VanDerWaalsContact O-CG 3.25Å; E81-N85 PolarHBondContact O-N 2.95Å; E81-N85 PolarHBondContact O-ND2 2.98Å
82D87.7Confident87.8Confident116 Ų11662 Ų6262%0.6232%0.316SS*.Hα-helixtrans-60.4-38173.7-73-17.2000111.8Y80 F84 N85 I86Y80-D82 PolarHBondContact O-N 2.84Å; D82-F84 VanDerWaalsContact C-N 3.32Å; D82-F84 PolarHBondContact O-N 3.22Å; D82-N85 CarbonylContact O-C 3.56Å; D82-N85 PolarHBondContact O-N 3.45Å; D82-N85 VanDerWaalsContact O-N 3.11Å; D82-I86 HydrophobicContact CB-CD1 4.34Å; D82-I86 WeakPolarHBondContact O-CB 3.44Å; D82-I86 WeakPolarHBondContact O-CG1 3.38Å; D82-I86 PolarHBondContact O-N 2.87Å
83F91Very high88.1Confident28 Ų2863.9 Ų63.912%0.12333%0.325CS..Hα-helixtrans-60-42.4176.3179.6-85.7000112.2L56 I60 Y80 E81 N85 E87 A88 L99L56-F83 HydrophobicContact CB-CE1 4.34Å; L56-F83 HydrophobicContact CB-CZ 4.02Å; L56-F83 HydrophobicContact CD2-CE1 4.33Å; L56-F83 HydrophobicContact CD2-CE2 4.38Å; L56-F83 HydrophobicContact CD2-CZ 3.63Å; L56-F83 HydrophobicContact CG-CZ 4.43Å; I60-F83 HydrophobicContact CD1-CD1 3.77Å; I60-F83 HydrophobicContact CD1-CE1 3.49Å; I60-F83 VanDerWaalsContact CD1-CE1 3.49Å; I60-F83 HydrophobicContact CD1-CZ 4.35Å; I60-F83 HydrophobicContact CG1-CD1 3.99Å; I60-F83 HydrophobicContact CG1-CE1 3.84Å; I60-F83 HydrophobicContact CG1-CZ 4.34Å; Y80-F83 WeakPolarHBondContact O-CA 3.42Å; Y80-F83 VanDerWaalsContact O-CB 3.27Å; Y80-F83 WeakPolarHBondContact O-CB 3.47Å; Y80-F83 PolarHBondContact O-N 2.97Å; E81-F83 VanDerWaalsContact C-N 3.27Å; E81-F83 PolarHBondContact O-N 3.01Å; F83-N85 VanDerWaalsContact C-N 3.34Å; F83-E87 VanDerWaalsContact CA-OE2 3.26Å; F83-E87 WeakPolarHBondContact CA-OE2 3.1Å; F83-E87 HydrophobicContact CD2-CB 3.83Å; F83-E87 HydrophobicContact CD2-CG 3.98Å; F83-E87 HydrophobicContact CE2-CB 3.77Å; F83-E87 HydrophobicContact CE2-CG 4.07Å; F83-E87 HydrophobicContact CG-CB 4.35Å; F83-E87 HydrophobicContact CZ-CB 4.21Å; F83-E87 PolarHBondContact O-N 3.46Å; F83-E87 VanDerWaalsContact O-N 3.11Å; F83-A88 PolarHBondContact O-N 3.44Å; F83-L99 HydrophobicContact CE1-CD2 4.44Å
84F91.6Very high88Confident0 Ų064.6 Ų64.60%033%0.331CS..Hα-helixtrans-70.1-33.5176-79.1-76.9000112.5I60 F77 Y80 E81 D82 A88 L99 L100 F126I60-F84 HydrophobicContact CD1-CE1 4.48Å; I60-F84 HydrophobicContact CD1-CE2 4.11Å; I60-F84 HydrophobicContact CD1-CZ 3.8Å; F77-F84 HydrophobicContact CD2-CD2 4.47Å; F77-F84 HydrophobicContact CD2-CE2 4.46Å; F77-F84 AromaticContact CE2-CD2 3.76Å; F77-F84 HydrophobicContact CE2-CD2 3.76Å; F77-F84 HydrophobicContact CE2-CE2 4.04Å; F77-F84 HydrophobicContact CE2-CG 4.42Å; F77-F84 HydrophobicContact CZ-CD2 4.33Å; Y80-F84 VanDerWaalsContact O-CD2 3.23Å; Y80-F84 WeakPolarHBondContact O-CD2 3.4Å; Y80-F84 PolarHBondContact O-N 3.02Å; E81-F84 PolarHBondContact O-N 3.31Å; E81-F84 VanDerWaalsContact O-N 3.16Å; D82-F84 VanDerWaalsContact C-N 3.32Å; D82-F84 PolarHBondContact O-N 3.22Å; F84-A88 HydrophobicContact CD1-CB 4.28Å; F84-A88 CarbonylContact O-C 3.48Å; F84-L99 HydrophobicContact CE1-CD2 3.9Å; F84-L99 HydrophobicContact CE1-CG 4.12Å; F84-L99 HydrophobicContact CZ-CG 4.46Å; F84-L100 HydrophobicContact CE1-CB 4.39Å; F84-L100 HydrophobicContact CE2-CD1 4.32Å; F84-L100 HydrophobicContact CZ-CB 4.23Å; F84-L100 HydrophobicContact CZ-CD1 4.06Å; F84-F126 HydrophobicContact CB-CE1 4.14Å; F84-F126 HydrophobicContact CB-CZ 3.86Å; F84-F126 HydrophobicContact CD1-CE1 4.49Å; F84-F126 AromaticContact CD1-CE2 3.85Å; F84-F126 HydrophobicContact CD1-CE2 3.85Å; F84-F126 AromaticContact CD1-CZ 3.53Å; F84-F126 HydrophobicContact CD1-CZ 3.53Å; F84-F126 HydrophobicContact CD2-CZ 4.27Å; F84-F126 HydrophobicContact CE1-CE2 4.05Å; F84-F126 HydrophobicContact CE1-CZ 4.11Å; F84-F126 HydrophobicContact CG-CE1 4.41Å; F84-F126 HydrophobicContact CG-CE2 4.39Å; F84-F126 AromaticContact CG-CZ 3.63Å; F84-F126 HydrophobicContact CG-CZ 3.63Å
85N88.2Confident88.1Confident96 Ų9661 Ų6151%0.51332%0.316SS..Hα-helixtrans-80.8-23.3-177.9-69.7-26.6000113.9E81 D82 F83 A89E81-N85 WeakPolarHBondContact O-CB 3.29Å; E81-N85 VanDerWaalsContact O-CG 3.25Å; E81-N85 PolarHBondContact O-N 2.95Å; E81-N85 PolarHBondContact O-ND2 2.98Å; D82-N85 CarbonylContact O-C 3.56Å; D82-N85 PolarHBondContact O-N 3.45Å; D82-N85 VanDerWaalsContact O-N 3.11Å; F83-N85 VanDerWaalsContact C-N 3.34Å; N85-A89 WeakPolarHBondContact O-CB 3.33Å
86I87.7Confident88.5Confident111 Ų11160.4 Ų60.457%0.56931%0.307SS*.THydrogen-bonded Turntrans-115.4-67-174.8-58.1170.4000110.4D82 A89D82-I86 HydrophobicContact CB-CD1 4.34Å; D82-I86 WeakPolarHBondContact O-CB 3.44Å; D82-I86 WeakPolarHBondContact O-CG1 3.38Å; D82-I86 PolarHBondContact O-N 2.87Å; I86-A89 WeakPolarHBondContact O-CB 3.34Å; I86-A89 PolarHBondContact O-N 3.45Å; I86-A89 VanDerWaalsContact O-N 3.16Å
87E85.7Confident88.3Confident103 Ų10360.3 Ų60.348%0.48131%0.307SS..THydrogen-bonded Turntrans-71.3-34.4-174.5-71.383.716400112.5L56 F83 A89L56-E87 HydrophobicContact CD2-CB 4.48Å; F83-E87 VanDerWaalsContact CA-OE2 3.26Å; F83-E87 WeakPolarHBondContact CA-OE2 3.1Å; F83-E87 HydrophobicContact CD2-CB 3.83Å; F83-E87 HydrophobicContact CD2-CG 3.98Å; F83-E87 HydrophobicContact CE2-CB 3.77Å; F83-E87 HydrophobicContact CE2-CG 4.07Å; F83-E87 HydrophobicContact CG-CB 4.35Å; F83-E87 HydrophobicContact CZ-CB 4.21Å; F83-E87 PolarHBondContact O-N 3.46Å; F83-E87 VanDerWaalsContact O-N 3.11Å; E87-A89 VanDerWaalsContact C-N 3.34Å
88A86.9Confident88.1Confident0 Ų064.4 Ų64.40%032%0.322CS..THydrogen-bonded Turntrans-94.715.3172.600000112.9F83 F84 E90 L91 R96F83-A88 PolarHBondContact O-N 3.44Å; F84-A88 HydrophobicContact CD1-CB 4.28Å; F84-A88 CarbonylContact O-C 3.48Å; A88-E90 PolarHBondContact O-N 3.13Å; A88-L91 HydrophobicContact CB-CD1 4.07Å; A88-L91 HydrophobicContact CB-CG 4.38Å; A88-L91 WeakPolarHBondContact O-CB 3.26Å; A88-L91 PolarHBondContact O-N 3.3Å; A88-R96 PolarHBondContact O-NE 2.98Å; A88-R96 PolarHBondContact O-NH2 2.69Å
89A86Confident88Confident48 Ų4861 Ų6140%0.39730%0.299SS..THydrogen-bonded Turntrans-63.4-28.6-178.900000113.3N85 I86 E87 R96N85-A89 WeakPolarHBondContact O-CB 3.33Å; I86-A89 WeakPolarHBondContact O-CB 3.34Å; I86-A89 PolarHBondContact O-N 3.45Å; I86-A89 VanDerWaalsContact O-N 3.16Å; E87-A89 VanDerWaalsContact C-N 3.34Å; A89-R96 PolarHBondContact O-NH2 2.62Å
90E86Confident88Confident154 Ų15454.8 Ų54.872%0.7228%0.275SS*.THydrogen-bonded Turntrans-81.4-14.7179-61.6-171.1164.500113.4H50 A88H50-E90 IonicContact CE1-OE2 2.7Å; H50-E90 IonicContact ND1-OE2 3.19Å; H50-E90 PolarHBondContact ND1-OE2 3.15Å; H50-E90 VanDerWaalsContact ND1-OE2 3.17Å; A88-E90 PolarHBondContact O-N 3.13Å
91L87.2Confident87.6Confident40 Ų4054.8 Ų54.821%0.20928%0.278CS..SBendtrans-74.2141.7179-64.9-171000111.3L56 A88 A95 R96 L99L56-L91 HydrophobicContact CD1-CD1 3.72Å; L56-L91 HydrophobicContact CD1-CD2 4.44Å; L56-L91 HydrophobicContact CD1-CG 4.23Å; A88-L91 HydrophobicContact CB-CD1 4.07Å; A88-L91 HydrophobicContact CB-CG 4.38Å; A88-L91 WeakPolarHBondContact O-CB 3.26Å; A88-L91 PolarHBondContact O-N 3.3Å; L91-A95 HydrophobicContact CB-CB 4.04Å; L91-A95 HydrophobicContact CD1-CB 4.21Å; L91-A95 HydrophobicContact CD2-CB 4.23Å; L91-A95 HydrophobicContact CG-CB 4.41Å; L91-R96 HydrophobicContact CB-CG 3.77Å; L91-R96 HydrophobicContact CD1-CG 4.49Å; L91-R96 PolarHBondContact O-NE 3Å; L91-R96 PolarHBondContact O-NH1 3.42Å; L91-R96 PolarHBondContact O-NH2 2.99Å; L91-R96 VanDerWaalsContact O-NH2 3.13Å; L91-L99 HydrophobicContact CD1-CD2 4.3Å
92D87.9Confident87.3Confident99 Ų9957 Ų5753%0.52928%0.282SS..  trans-67159.7166.470.85.3000111.2A94 A95 R96D92-A94 PolarHBondContact O-N 2.95Å; D92-A95 PolarHBondContact O-N 2.82Å; D92-A95 WeakPolarHBondContact OD1-CA 3.42Å; D92-A95 WeakPolarHBondContact OD1-CB 3.36Å; D92-A95 PolarHBondContact OD1-N 3.11Å; D92-R96 PolarHBondContact O-N 3.4Å
93D87.9Confident87.3Confident51 Ų5152.5 Ų52.527%0.27326%0.257SS..Hα-helixtrans-54.4-39.7-179.2-88.317000111.8A95 R96 V97 R125 F126D93-A95 VanDerWaalsContact C-N 3.35Å; D93-A95 PolarHBondContact O-N 2.93Å; D93-R96 PolarHBondContact O-N 3.42Å; D93-R96 IonicContact OD1-NH1 3.71Å; D93-R96 PolarHBondContact OD1-NH1 3.22Å; D93-V97 WeakPolarHBondContact O-CB 3.44Å; D93-V97 VanDerWaalsContact O-CG2 3.23Å; D93-V97 WeakPolarHBondContact O-CG2 3.34Å; D93-V97 PolarHBondContact O-N 2.84Å; D93-R125 WeakPolarHBondContact OD2-CA 3.42Å; D93-R125 WeakPolarHBondContact OD2-CB 3.36Å; D93-F126 HydrophobicContact CB-CB 4.37Å; D93-F126 PolarHBondContact OD2-N 3.39Å
94A84Confident86.9Confident15 Ų1552.2 Ų52.212%0.12426%0.257CS..Hα-helixtrans-64.4-37.7179.700000112.4D92 R98 P121 R122D92-A94 PolarHBondContact O-N 2.95Å; A94-R98 VanDerWaalsContact C-NH1 3.31Å; A94-R98 VanDerWaalsContact CB-NH1 3.35Å; A94-R98 WeakPolarHBondContact O-CB 3.35Å; A94-R98 VanDerWaalsContact O-CG 3.25Å; A94-R98 WeakPolarHBondContact O-CG 3.26Å; A94-R98 PolarHBondContact O-N 3.44Å; A94-R98 PolarHBondContact O-NH1 3.43Å; A94-R98 VanDerWaalsContact O-NH1 3.14Å; A94-P121 WeakPolarHBondContact CA-O 3.19Å; A94-P121 WeakPolarHBondContact CB-O 3.45Å; A94-R122 HydrophobicContact CB-CG 4.5Å
95A87.1Confident85.8Confident7 Ų757.7 Ų57.76%0.05828%0.277CS..Hα-helixtrans-71.7-40175.100000111.8L91 D92 D93 R98 L99L91-A95 HydrophobicContact CB-CB 4.04Å; L91-A95 HydrophobicContact CD1-CB 4.21Å; L91-A95 HydrophobicContact CD2-CB 4.23Å; L91-A95 HydrophobicContact CG-CB 4.41Å; D92-A95 PolarHBondContact O-N 2.82Å; D92-A95 WeakPolarHBondContact OD1-CA 3.42Å; D92-A95 WeakPolarHBondContact OD1-CB 3.36Å; D92-A95 PolarHBondContact OD1-N 3.11Å; D93-A95 VanDerWaalsContact C-N 3.35Å; D93-A95 PolarHBondContact O-N 2.93Å; A95-R98 PolarHBondContact O-N 2.87Å; A95-L99 WeakPolarHBondContact O-CB 3.48Å; A95-L99 PolarHBondContact O-N 3.12Å
96R90.5Very high84.4Confident42 Ų4259.7 Ų59.716%0.15829%0.293CS..Hα-helixtrans-62.6-44.1174-65.9-173.5-178.5122.84.3112.1A88 A89 L91 D92 D93 L99 L100 F126A88-R96 PolarHBondContact O-NE 2.98Å; A88-R96 PolarHBondContact O-NH2 2.69Å; A89-R96 PolarHBondContact O-NH2 2.62Å; L91-R96 HydrophobicContact CB-CG 3.77Å; L91-R96 HydrophobicContact CD1-CG 4.49Å; L91-R96 PolarHBondContact O-NE 3Å; L91-R96 PolarHBondContact O-NH1 3.42Å; L91-R96 PolarHBondContact O-NH2 2.99Å; L91-R96 VanDerWaalsContact O-NH2 3.13Å; D92-R96 PolarHBondContact O-N 3.4Å; D93-R96 PolarHBondContact O-N 3.42Å; D93-R96 IonicContact OD1-NH1 3.71Å; D93-R96 PolarHBondContact OD1-NH1 3.22Å; R96-L99 PolarHBondContact O-N 3.38Å; R96-L100 WeakPolarHBondContact O-CB 3.48Å; R96-L100 PolarHBondContact O-N 3.17Å; R96-F126 HydrophobicContact CB-CB 4.34Å; R96-F126 HydrophobicContact CB-CD2 3.37Å; R96-F126 HydrophobicContact CB-CE2 3.75Å; R96-F126 HydrophobicContact CB-CG 3.91Å; R96-F126 HydrophobicContact CG-CD2 4.44Å
97V87.1Confident82.8Confident3 Ų359 Ų592%0.01829%0.291CS..Hα-helixtrans-61.3-45.9174.71710000110.3D93 L99 L100 L101 P121 F126 T129D93-V97 WeakPolarHBondContact O-CB 3.44Å; D93-V97 VanDerWaalsContact O-CG2 3.23Å; D93-V97 WeakPolarHBondContact O-CG2 3.34Å; D93-V97 PolarHBondContact O-N 2.84Å; V97-L99 VanDerWaalsContact C-N 3.34Å; V97-L99 PolarHBondContact O-N 3.34Å; V97-L100 PolarHBondContact O-N 3.42Å; V97-L101 HydrophobicContact CG1-CD1 3.75Å; V97-L101 HydrophobicContact CG1-CG 4.1Å; V97-L101 WeakPolarHBondContact O-CB 3.12Å; V97-L101 VanDerWaalsContact O-CG 3.24Å; V97-L101 WeakPolarHBondContact O-CG 3.49Å; V97-L101 PolarHBondContact O-N 2.91Å; V97-P121 HydrophobicContact CG1-CB 3.95Å; V97-F126 HydrophobicContact CG2-CB 4.41Å; V97-F126 HydrophobicContact CG2-CD2 4.26Å; V97-T129 HydrophobicContact CG1-CG2 4.2Å; V97-T129 HydrophobicContact CG2-CG2 4.36Å; V97-T129 WeakPolarHBondContact CG2-OG1 3.27Å
98R85.3Confident81.4Confident105 Ų10554.9 Ų54.940%0.39627%0.272SS..Hα-helixtrans-58.9-43.3175.1-77.2-174.2-58.1-88.86.9112.4L53 A94 A95 R102 P121L53-R98 HydrophobicContact CD1-CB 4.48Å; A94-R98 VanDerWaalsContact C-NH1 3.31Å; A94-R98 VanDerWaalsContact CB-NH1 3.35Å; A94-R98 WeakPolarHBondContact O-CB 3.35Å; A94-R98 VanDerWaalsContact O-CG 3.25Å; A94-R98 WeakPolarHBondContact O-CG 3.26Å; A94-R98 PolarHBondContact O-N 3.44Å; A94-R98 PolarHBondContact O-NH1 3.43Å; A94-R98 VanDerWaalsContact O-NH1 3.14Å; A95-R98 PolarHBondContact O-N 2.87Å; R98-R102 VanDerWaalsContact O-CB 3.24Å; R98-R102 WeakPolarHBondContact O-CB 3.01Å; R98-R102 PolarHBondContact O-N 3.4Å; R98-P121 HydrophobicContact CG-CB 4.26Å
99L88Confident79.5Confident0 Ų057.6 Ų57.60%029%0.29CS..Hα-helixtrans-63.3-47.1177.7176.660.6000111.4L53 L56 A57 I60 F83 F84 L91 A95 R96 V97 R102 K103L53-L99 HydrophobicContact CD2-CD1 4.18Å; L53-L99 HydrophobicContact CG-CB 4.37Å; L53-L99 HydrophobicContact CG-CD1 4.36Å; L56-L99 HydrophobicContact CB-CD1 4.42Å; L56-L99 HydrophobicContact CB-CD2 3.95Å; L56-L99 HydrophobicContact CD1-CD2 4.48Å; A57-L99 HydrophobicContact CB-CD1 3.68Å; I60-L99 HydrophobicContact CD1-CD1 4.32Å; I60-L99 HydrophobicContact CD1-CD2 4.12Å; I60-L99 HydrophobicContact CD1-CG 4.17Å; F83-L99 HydrophobicContact CE1-CD2 4.44Å; F84-L99 HydrophobicContact CE1-CD2 3.9Å; F84-L99 HydrophobicContact CE1-CG 4.12Å; F84-L99 HydrophobicContact CZ-CG 4.46Å; L91-L99 HydrophobicContact CD1-CD2 4.3Å; A95-L99 WeakPolarHBondContact O-CB 3.48Å; A95-L99 PolarHBondContact O-N 3.12Å; R96-L99 PolarHBondContact O-N 3.38Å; V97-L99 VanDerWaalsContact C-N 3.34Å; V97-L99 PolarHBondContact O-N 3.34Å; L99-R102 PolarHBondContact O-N 2.84Å; L99-K103 PolarHBondContact O-N 3.29Å
100L88.7Confident77.7Confident0 Ų064.8 Ų64.80%031%0.312CS..Hα-helixtrans-60.7-51.7177.9-179.861.6000111.6F73 W76 F77 F84 R96 V97 R102 K103 L104 F126 T129 V130 L133F73-L100 HydrophobicContact CE2-CD1 4.05Å; F73-L100 HydrophobicContact CZ-CD1 4.12Å; F73-L100 HydrophobicContact CZ-CD2 4.32Å; W76-L100 HydrophobicContact CH2-CD1 3.85Å; W76-L100 HydrophobicContact CZ3-CD1 3.61Å; F77-L100 HydrophobicContact CD2-CD1 4.21Å; F77-L100 HydrophobicContact CE2-CD1 4.32Å; F84-L100 HydrophobicContact CE1-CB 4.39Å; F84-L100 HydrophobicContact CE2-CD1 4.32Å; F84-L100 HydrophobicContact CZ-CB 4.23Å; F84-L100 HydrophobicContact CZ-CD1 4.06Å; R96-L100 WeakPolarHBondContact O-CB 3.48Å; R96-L100 PolarHBondContact O-N 3.17Å; V97-L100 PolarHBondContact O-N 3.42Å; L100-R102 VanDerWaalsContact C-N 3.3Å; L100-R102 PolarHBondContact O-N 3.24Å; L100-K103 PolarHBondContact O-N 2.95Å; L100-L104 PolarHBondContact O-N 3.5Å; L100-F126 HydrophobicContact CB-CE2 4.27Å; L100-F126 HydrophobicContact CD2-CD2 4.49Å; L100-F126 HydrophobicContact CD2-CE2 3.86Å; L100-T129 HydrophobicContact CD2-CG2 4.16Å; L100-V130 HydrophobicContact CD2-CG2 3.95Å; L100-L133 HydrophobicContact CD2-CD1 3.68Å; L100-L133 HydrophobicContact CG-CD1 4.01Å
101L84.2Confident76.2Confident42 Ų4264.5 Ų64.522%0.2231%0.309CS..Hα-helixtrans-63.4-35179.8-66.8-178.6000112.3V97 K103 L104 I116 P121 T129V97-L101 HydrophobicContact CG1-CD1 3.75Å; V97-L101 HydrophobicContact CG1-CG 4.1Å; V97-L101 WeakPolarHBondContact O-CB 3.12Å; V97-L101 VanDerWaalsContact O-CG 3.24Å; V97-L101 WeakPolarHBondContact O-CG 3.49Å; V97-L101 PolarHBondContact O-N 2.91Å; L101-K103 PolarHBondContact O-N 3.37Å; L101-L104 HydrophobicContact CD2-CD1 3.68Å; L101-L104 PolarHBondContact O-N 3.04Å; L101-L104 VanDerWaalsContact O-N 3.17Å; L101-I116 HydrophobicContact CD1-CG2 4.43Å; L101-I116 HydrophobicContact CD2-CG2 3.53Å; L101-P121 HydrophobicContact CD1-CG 4.28Å; L101-T129 HydrophobicContact CD2-CG2 4.49Å
102R85.3Confident74.3Confident136 Ų13664.3 Ų64.351%0.51331%0.308SS..Hα-helixtrans-62.4-22.5174.3-176.8172.2-178.9-179.7-3.4112.5D54 R98 L99 L100D54-R102 IonicContact OD1-CZ 3.18Å; D54-R102 IonicContact OD1-NH1 2.87Å; D54-R102 PolarHBondContact OD1-NH1 3.11Å; D54-R102 IonicContact OD1-NH2 3.11Å; D54-R102 PolarHBondContact OD1-NH2 3.1Å; R98-R102 VanDerWaalsContact O-CB 3.24Å; R98-R102 WeakPolarHBondContact O-CB 3.01Å; R98-R102 PolarHBondContact O-N 3.4Å; L99-R102 PolarHBondContact O-N 2.84Å; L100-R102 VanDerWaalsContact C-N 3.3Å; L100-R102 PolarHBondContact O-N 3.24Å
103K87.8Confident72.6Confident23 Ų2361 Ų6110%0.130%0.295CS..THydrogen-bonded Turntrans-94.9-3.8178.6-67-68.2171.2174.90114.4A57 I60 E62 F63 W76 L99 L100 L101A57-K103 WeakPolarHBondContact O-CE 3.42Å; A57-K103 PolarHBondContact O-NZ 3.32Å; I60-K103 HydrophobicContact CB-CD 4.13Å; I60-K103 HydrophobicContact CB-CG 4.12Å; I60-K103 HydrophobicContact CG2-CB 4.26Å; I60-K103 HydrophobicContact CG2-CD 4.09Å; I60-K103 HydrophobicContact CG2-CG 3.85Å; I60-K103 WeakPolarHBondContact O-CD 3.36Å; I60-K103 VanDerWaalsContact O-CE 3.27Å; I60-K103 WeakPolarHBondContact O-CE 3.43Å; I60-K103 PolarHBondContact O-NZ 3.4Å; E62-K103 CarbonylContact C-O 3.57Å; E62-K103 WeakPolarHBondContact CA-O 3.45Å; E62-K103 HydrophobicContact CG-CD 4.25Å; F63-K103 PolarHBondContact N-O 2.96Å; W76-K103 HydrophobicContact CH2-CB 4.06Å; W76-K103 HydrophobicContact CZ2-CB 3.96Å; L99-K103 PolarHBondContact O-N 3.29Å; L100-K103 PolarHBondContact O-N 2.95Å; L101-K103 PolarHBondContact O-N 3.37Å
104L80.9Confident70.9Confident21 Ų2160.5 Ų60.511%0.1130%0.302CS..BIsolated β-bridgetrans-83.8121.1168.7-53.6177.2000108.9F63 F73 L100 L101 L133F63-L104 HydrophobicContact CB-CD2 4.08Å; F63-L104 HydrophobicContact CD1-CD2 3.63Å; F63-L104 HydrophobicContact CG-CD2 4.23Å; F73-L104 HydrophobicContact CD2-CD2 4.12Å; F73-L104 HydrophobicContact CE2-CD2 4.01Å; L100-L104 PolarHBondContact O-N 3.5Å; L101-L104 HydrophobicContact CD2-CD1 3.68Å; L101-L104 PolarHBondContact O-N 3.04Å; L101-L104 VanDerWaalsContact O-N 3.17Å; L104-L133 HydrophobicContact CD1-CD1 3.84Å; L104-L133 HydrophobicContact CD1-CD2 3.56Å; L104-L133 HydrophobicContact CD1-CG 4.37Å
105R70.2Confident69.4Low115 Ų11567 Ų6743%0.43432%0.324SS..  trans-67.2148.5174.7-72.9-168.7161.2-178.2-4.2111.5E62 F63 D64 N107 V108E62-R105 HydrophobicContact CB-CG 3.86Å; E62-R105 IonicContact OE2-CZ 3.16Å; E62-R105 VanDerWaalsContact OE2-CZ 3.23Å; E62-R105 IonicContact OE2-NE 2.71Å; E62-R105 PolarHBondContact OE2-NE 3.5Å; E62-R105 IonicContact OE2-NH2 2.82Å; E62-R105 PolarHBondContact OE2-NH2 2.95Å; F63-R105 WeakPolarHBondContact O-CB 3.49Å; F63-R105 PolarHBondContact O-N 3.21Å; D64-R105 IonicContact OD2-NH1 3.09Å; R105-N107 PolarHBondContact O-N 3.28Å; R105-V108 PolarHBondContact O-N 3.41Å
106T57.2Low67.9Low138 Ų13868.1 Ų68.185%0.84733%0.328SS*.THydrogen-bonded Turntrans-65.94.7178.745.10000115.4V108T106-V108 PolarHBondContact O-N 3.33Å
107N55.4Low66.2Low98 Ų9871.7 Ų71.752%0.52435%0.35SS..THydrogen-bonded Turntrans-74.1-9.2173.3-68.1-16.6000112.7D64 R105 P109D64-N107 WeakPolarHBondContact OD1-CB 3.5Å; D64-N107 PolarHBondContact OD1-ND2 2.99Å; D64-N107 PolarHBondContact OD2-ND2 3.25Å; R105-N107 PolarHBondContact O-N 3.28Å; N107-P109 WeakPolarHBondContact O-CD 3.42Å; N107-P109 VanDerWaalsContact O-N 3.08Å
108V55.3Low64.6Low15 Ų1577.8 Ų77.89%0.09138%0.382CS..SBendtrans-54.5113.2164.6174.90000108.2R105 T106 K110 D112 F137R105-V108 PolarHBondContact O-N 3.41Å; T106-V108 PolarHBondContact O-N 3.33Å; V108-K110 PolarHBondContact O-N 2.79Å; V108-D112 HydrophobicContact CG1-CB 3.65Å; V108-F137 HydrophobicContact CB-CE1 4.36Å; V108-F137 HydrophobicContact CB-CZ 4.21Å; V108-F137 HydrophobicContact CG1-CE1 3.72Å; V108-F137 HydrophobicContact CG1-CE2 4.47Å; V108-F137 HydrophobicContact CG1-CZ 3.37Å; V108-F137 HydrophobicContact CG2-CE1 3.88Å; V108-F137 HydrophobicContact CG2-CE2 4.39Å; V108-F137 HydrophobicContact CG2-CZ 3.74Å
109P47.5Very low63.3Low58 Ų5879.9 Ų79.938%0.37739%0.39SS..  trans-49.1133.6-178.6-26.933.9000110.1N107 K111 D112 A113N107-P109 WeakPolarHBondContact O-CD 3.42Å; N107-P109 VanDerWaalsContact O-N 3.08Å; P109-K111 HydrophobicContact CB-CG 3.87Å; P109-K111 PolarHBondContact O-N 3.04Å; P109-D112 WeakPolarHBondContact CD-OD2 3.4Å; P109-D112 WeakPolarHBondContact CG-OD2 3.41Å; P109-D112 WeakPolarHBondContact O-CB 3.42Å; P109-D112 PolarHBondContact O-N 3.45Å; P109-A113 PolarHBondContact O-N 2.91Å
110K48.7Very low62Low198 Ų19885 Ų8586%0.86141%0.414SS*.Hα-helixtrans-47.9-27.3-174.4-71.4-178.9178.2177.30114.5V108 D112 G114V108-K110 PolarHBondContact O-N 2.79Å; K110-D112 VanDerWaalsContact C-N 3.32Å; K110-G114 PolarHBondContact O-N 3.27Å
111K53Low60.6Low148 Ų14886.3 Ų86.364%0.64342%0.422SS*.Hα-helixtrans-62.1-34.4173.758165.7-166.41760113.5P109 Y115P109-K111 HydrophobicContact CB-CG 3.87Å; P109-K111 PolarHBondContact O-N 3.04Å; K111-Y115 VanDerWaalsContact O-CD2 3.26Å; K111-Y115 WeakPolarHBondContact O-CD2 3.5Å
112D48.5Very low59.6Low36 Ų3693.4 Ų93.419%0.19345%0.446CS..Hα-helixtrans-87.6-34.3-175.5-54.8-37.6000110.3V108 P109 K110 G114 Y115 I116 F137V108-D112 HydrophobicContact CG1-CB 3.65Å; P109-D112 WeakPolarHBondContact CD-OD2 3.4Å; P109-D112 WeakPolarHBondContact CG-OD2 3.41Å; P109-D112 WeakPolarHBondContact O-CB 3.42Å; P109-D112 PolarHBondContact O-N 3.45Å; K110-D112 VanDerWaalsContact C-N 3.32Å; D112-G114 PolarHBondContact O-N 2.97Å; D112-Y115 PolarHBondContact O-N 3.32Å; D112-I116 PolarHBondContact O-N 3.48Å; D112-F137 HydrophobicContact CB-CE1 4.4Å; D112-F137 HydrophobicContact CB-CZ 4.24Å
113A51.3Low58.9Low31 Ų3192.2 Ų92.226%0.25645%0.45SS..Hα-helixtrans-57.7-36.9170.400000112P109 Y115 I116 L117P109-A113 PolarHBondContact O-N 2.91Å; A113-Y115 VanDerWaalsContact C-N 3.28Å; A113-Y115 PolarHBondContact O-N 3.18Å; A113-I116 PolarHBondContact O-N 2.8Å; A113-L117 HydrophobicContact CB-CD1 4.41Å; A113-L117 VanDerWaalsContact O-CB 3.25Å; A113-L117 WeakPolarHBondContact O-CB 3.25Å; A113-L117 WeakPolarHBondContact O-CD1 3.48Å; A113-L117 WeakPolarHBondContact O-CG 3.26Å; A113-L117 PolarHBondContact O-N 2.88Å
114G52.3Low58.1Low40 Ų4091.8 Ų91.841%0.41245%0.449SS..Hα-helixtrans-59.7-34.9175.200000113.4K110 D112 L118K110-G114 PolarHBondContact O-N 3.27Å; D112-G114 PolarHBondContact O-N 2.97Å; G114-L118 WeakPolarHBondContact O-CG 3.49Å; G114-L118 PolarHBondContact O-N 3.36Å; G114-L118 VanDerWaalsContact O-N 3.12Å
115Y52.6Low58.3Low152 Ų15298 Ų9860%0.59647%0.471SS*.Hα-helixtrans-75-36.7178-74.7-83.1000113K111 D112 A113 L117 L118 M136K111-Y115 VanDerWaalsContact O-CD2 3.26Å; K111-Y115 WeakPolarHBondContact O-CD2 3.5Å; D112-Y115 PolarHBondContact O-N 3.32Å; A113-Y115 VanDerWaalsContact C-N 3.28Å; A113-Y115 PolarHBondContact O-N 3.18Å; Y115-L117 VanDerWaalsContact C-N 3.31Å; Y115-L118 HydrophobicContact CD1-CD1 3.93Å; Y115-M136 HydrophobicContact CG-CE 4.13Å
116I55.2Low59.2Low29 Ų2993.4 Ų93.415%0.14946%0.455CS..Hα-helixtrans-67.8-36.8174.6-56.4163000110.3L101 D112 A113 L133 M136 F137L101-I116 HydrophobicContact CD1-CG2 4.43Å; L101-I116 HydrophobicContact CD2-CG2 3.53Å; D112-I116 PolarHBondContact O-N 3.48Å; A113-I116 PolarHBondContact O-N 2.8Å; I116-L133 HydrophobicContact CD1-CD2 3.66Å; I116-L133 HydrophobicContact CG1-CD2 3.98Å; I116-L133 HydrophobicContact CG2-CD2 4.45Å; I116-M136 HydrophobicContact CD1-SD 4.45Å; I116-M136 HydrophobicContact CG1-SD 3.76Å; I116-F137 HydrophobicContact CD1-CE2 3.68Å; I116-F137 HydrophobicContact CD1-CZ 3.94Å
117L55.2Low60.6Low118 Ų11890.2 Ų90.262%0.61843%0.432SS*.THydrogen-bonded Turntrans-87.61.6-177.4-71.7163000114.4A113 Y115 R119A113-L117 HydrophobicContact CB-CD1 4.41Å; A113-L117 VanDerWaalsContact O-CB 3.25Å; A113-L117 WeakPolarHBondContact O-CB 3.25Å; A113-L117 WeakPolarHBondContact O-CD1 3.48Å; A113-L117 WeakPolarHBondContact O-CG 3.26Å; A113-L117 PolarHBondContact O-N 2.88Å; Y115-L117 VanDerWaalsContact C-N 3.31Å; L117-R119 PolarHBondContact O-N 3.04Å
118L54.5Low62Low131 Ų13189.1 Ų89.169%0.68642%0.424SS*.THydrogen-bonded Turntrans-59.6-17.6176.5-94.3161.8000112.7G114 Y115G114-L118 WeakPolarHBondContact O-CG 3.49Å; G114-L118 PolarHBondContact O-N 3.36Å; G114-L118 VanDerWaalsContact O-N 3.12Å; Y115-L118 HydrophobicContact CD1-CD1 3.93Å
119R57.3Low63.5Low148 Ų14888.8 Ų88.856%0.55842%0.422SS*.SBendtrans-131.3139.3176.6-66.7-174.7170.1-153.9-3.7110.1L117 V124L117-R119 PolarHBondContact O-N 3.04Å; R119-V124 HydrophobicContact CB-CG2 3.36Å; R119-V124 HydrophobicContact CG-CG2 4.34Å
120H60.4Low65.4Low108 Ų10886.9 Ų86.950%0.541%0.409SS..  trans-62142.1177.5-162.6-54.8000108.2R122 D123H120-R122 PolarHBondContact ND1-N 3.45Å; H120-R122 PolarHBondContact O-N 2.93Å; H120-D123 VanDerWaalsContact CB-OD2 3.3Å; H120-D123 WeakPolarHBondContact CB-OD2 3.44Å; H120-D123 PolarHBondContact O-N 3.46Å
121P59.2Low67.1Low28 Ų2881.9 Ų81.918%0.18239%0.392CS..THydrogen-bonded Turntrans-53.6-9174.8-3234.7000116.3A94 V97 R98 L101A94-P121 WeakPolarHBondContact CA-O 3.19Å; A94-P121 WeakPolarHBondContact CB-O 3.45Å; V97-P121 HydrophobicContact CG1-CB 3.95Å; R98-P121 HydrophobicContact CG-CB 4.26Å; L101-P121 HydrophobicContact CD1-CG 4.28Å
122R64.2Low68.3Low190 Ų19077.2 Ų77.272%0.71737%0.374SS*.THydrogen-bonded Turntrans-86.4-15.2175.2-67-178.3-178.8-177.61.3112.8A94 H120A94-R122 HydrophobicContact CB-CG 4.5Å; H120-R122 PolarHBondContact ND1-N 3.45Å; H120-R122 PolarHBondContact O-N 2.93Å
123D70.1Confident70Confident111 Ų11175.5 Ų75.559%0.59437%0.365SS*.SBendtrans-109-1.9-170.6-52.2-32.9000112.8H120H120-D123 VanDerWaalsContact CB-OD2 3.3Å; H120-D123 WeakPolarHBondContact CB-OD2 3.44Å; H120-D123 PolarHBondContact O-N 3.46Å
124V71.6Confident71.5Confident15 Ų1575.6 Ų75.69%0.09136%0.362CS..SBendtrans-119.8134.6-176.4-164.50000108.8R119 E128 T129R119-V124 HydrophobicContact CB-CG2 3.36Å; R119-V124 HydrophobicContact CG-CG2 4.34Å; V124-E128 HydrophobicContact CG1-CB 3.99Å; V124-E128 HydrophobicContact CG1-CG 4Å; V124-T129 WeakPolarHBondContact CG1-OG1 3.48Å
125R85.1Confident72.6Confident150 Ų15081.1 Ų81.157%0.56638%0.377SS*.  trans-71.9155.6173.6-69.2179.949.4171.9-6.8111.2D93 D127 E128 T129D93-R125 WeakPolarHBondContact OD2-CA 3.42Å; D93-R125 WeakPolarHBondContact OD2-CB 3.36Å; R125-D127 VanDerWaalsContact CB-OD1 3.27Å; R125-D127 WeakPolarHBondContact CB-OD1 3.47Å; R125-D127 IonicContact CZ-OD1 3.17Å; R125-D127 VanDerWaalsContact CZ-OD1 3.27Å; R125-D127 IonicContact CZ-OD2 2.87Å; R125-D127 IonicContact NE-OD1 3.38Å; R125-D127 PolarHBondContact NE-OD1 3.33Å; R125-D127 IonicContact NE-OD2 3.81Å; R125-D127 IonicContact NH2-OD1 3.19Å; R125-D127 PolarHBondContact NH2-OD1 3.23Å; R125-D127 IonicContact NH2-OD2 3.61Å; R125-D127 PolarHBondContact NH2-OD2 2.89Å; R125-D127 PolarHBondContact O-N 3.31Å; R125-E128 HydrophobicContact CB-CB 4.24Å; R125-E128 PolarHBondContact O-N 3.22Å; R125-T129 PolarHBondContact O-N 3.42Å; R125-T129 PolarHBondContact O-OG1 2.73Å
126F88.4Confident73.6Confident20 Ų2076.1 Ų76.19%0.08836%0.36CS..Hα-helixtrans-61.7-45.4178.9178.8-108.9000111.8F77 F84 D93 R96 V97 L100 E128 T129 V130F77-F126 AromaticContact CE2-CZ 3.89Å; F77-F126 HydrophobicContact CE2-CZ 3.89Å; F77-F126 HydrophobicContact CZ-CE1 4.09Å; F77-F126 AromaticContact CZ-CZ 3.91Å; F77-F126 HydrophobicContact CZ-CZ 3.91Å; F84-F126 HydrophobicContact CB-CE1 4.14Å; F84-F126 HydrophobicContact CB-CZ 3.86Å; F84-F126 HydrophobicContact CD1-CE1 4.49Å; F84-F126 AromaticContact CD1-CE2 3.85Å; F84-F126 HydrophobicContact CD1-CE2 3.85Å; F84-F126 AromaticContact CD1-CZ 3.53Å; F84-F126 HydrophobicContact CD1-CZ 3.53Å; F84-F126 HydrophobicContact CD2-CZ 4.27Å; F84-F126 HydrophobicContact CE1-CE2 4.05Å; F84-F126 HydrophobicContact CE1-CZ 4.11Å; F84-F126 HydrophobicContact CG-CE1 4.41Å; F84-F126 HydrophobicContact CG-CE2 4.39Å; F84-F126 AromaticContact CG-CZ 3.63Å; F84-F126 HydrophobicContact CG-CZ 3.63Å; D93-F126 HydrophobicContact CB-CB 4.37Å; D93-F126 PolarHBondContact OD2-N 3.39Å; R96-F126 HydrophobicContact CB-CB 4.34Å; R96-F126 HydrophobicContact CB-CD2 3.37Å; R96-F126 HydrophobicContact CB-CE2 3.75Å; R96-F126 HydrophobicContact CB-CG 3.91Å; R96-F126 HydrophobicContact CG-CD2 4.44Å; V97-F126 HydrophobicContact CG2-CB 4.41Å; V97-F126 HydrophobicContact CG2-CD2 4.26Å; L100-F126 HydrophobicContact CB-CE2 4.27Å; L100-F126 HydrophobicContact CD2-CD2 4.49Å; L100-F126 HydrophobicContact CD2-CE2 3.86Å; F126-E128 PolarHBondContact O-N 3.32Å; F126-T129 WeakPolarHBondContact O-CB 3.47Å; F126-T129 PolarHBondContact O-N 3.43Å; F126-V130 HydrophobicContact CD1-CG2 4.39Å; F126-V130 HydrophobicContact CE1-CG2 3.99Å; F126-V130 HydrophobicContact CE2-CG2 4.18Å; F126-V130 HydrophobicContact CZ-CG2 3.89Å; F126-V130 WeakPolarHBondContact O-CG2 3.38Å; F126-V130 PolarHBondContact O-N 3.02Å
127D87.8Confident74.7Confident70 Ų7074.8 Ų74.837%0.37435%0.353SS..Hα-helixtrans-63.4-38.7178.759.6-66.8000112.8R125 T129 V130 N131R125-D127 VanDerWaalsContact CB-OD1 3.27Å; R125-D127 WeakPolarHBondContact CB-OD1 3.47Å; R125-D127 IonicContact CZ-OD1 3.17Å; R125-D127 VanDerWaalsContact CZ-OD1 3.27Å; R125-D127 IonicContact CZ-OD2 2.87Å; R125-D127 IonicContact NE-OD1 3.38Å; R125-D127 PolarHBondContact NE-OD1 3.33Å; R125-D127 IonicContact NE-OD2 3.81Å; R125-D127 IonicContact NH2-OD1 3.19Å; R125-D127 PolarHBondContact NH2-OD1 3.23Å; R125-D127 IonicContact NH2-OD2 3.61Å; R125-D127 PolarHBondContact NH2-OD2 2.89Å; R125-D127 PolarHBondContact O-N 3.31Å; D127-T129 VanDerWaalsContact C-N 3.35Å; D127-V130 PolarHBondContact O-N 3.17Å; D127-N131 WeakPolarHBondContact O-CB 3.38Å; D127-N131 VanDerWaalsContact O-CG 3.29Å; D127-N131 PolarHBondContact O-N 2.93Å; D127-N131 PolarHBondContact O-ND2 2.96Å; D127-N131 VanDerWaalsContact O-ND2 3.1Å
128E84.7Confident75.6Confident75 Ų7569.3 Ų69.335%0.3533%0.325SS..Hα-helixtrans-64.1-41.1174.7-172.8178.7-173.700111.3V124 R125 F126 N131 I132V124-E128 HydrophobicContact CG1-CB 3.99Å; V124-E128 HydrophobicContact CG1-CG 4Å; R125-E128 HydrophobicContact CB-CB 4.24Å; R125-E128 PolarHBondContact O-N 3.22Å; F126-E128 PolarHBondContact O-N 3.32Å; E128-N131 PolarHBondContact O-N 3.43Å; E128-I132 HydrophobicContact CG-CD1 4.09Å; E128-I132 VanDerWaalsContact O-CG1 3.28Å; E128-I132 WeakPolarHBondContact O-CG1 3.44Å; E128-I132 PolarHBondContact O-N 2.97Å
129T85.2Confident76.3Confident8 Ų866.2 Ų66.25%0.04931%0.307CS..Hα-helixtrans-63.8-46.2176.9-55.60000111.4V97 L100 L101 V124 R125 F126 D127 N131 I132 L133V97-T129 HydrophobicContact CG1-CG2 4.2Å; V97-T129 HydrophobicContact CG2-CG2 4.36Å; V97-T129 WeakPolarHBondContact CG2-OG1 3.27Å; L100-T129 HydrophobicContact CD2-CG2 4.16Å; L101-T129 HydrophobicContact CD2-CG2 4.49Å; V124-T129 WeakPolarHBondContact CG1-OG1 3.48Å; R125-T129 PolarHBondContact O-N 3.42Å; R125-T129 PolarHBondContact O-OG1 2.73Å; F126-T129 WeakPolarHBondContact O-CB 3.47Å; F126-T129 PolarHBondContact O-N 3.43Å; D127-T129 VanDerWaalsContact C-N 3.35Å; T129-N131 VanDerWaalsContact C-N 3.29Å; T129-N131 PolarHBondContact O-N 3.16Å; T129-I132 PolarHBondContact O-N 3.38Å; T129-L133 HydrophobicContact CG2-CD1 3.96Å; T129-L133 HydrophobicContact CG2-CG 4.37Å; T129-L133 WeakPolarHBondContact O-CB 3.3Å; T129-L133 VanDerWaalsContact O-CG 3.29Å; T129-L133 WeakPolarHBondContact O-CG 3.34Å; T129-L133 PolarHBondContact O-N 3.08Å
130V88.7Confident76.6Confident18 Ų1865.1 Ų65.111%0.10931%0.308CS..Hα-helixtrans-58-44.3175.5172.30000110.2F73 F77 L100 F126 D127 I132 L133 T134F73-V130 HydrophobicContact CE1-CG1 4.13Å; F77-V130 HydrophobicContact CD1-CG1 4.13Å; F77-V130 HydrophobicContact CD2-CG2 4.46Å; F77-V130 HydrophobicContact CE1-CG1 3.88Å; F77-V130 HydrophobicContact CE1-CG2 4.31Å; F77-V130 HydrophobicContact CE2-CG1 4.47Å; F77-V130 HydrophobicContact CE2-CG2 3.73Å; F77-V130 HydrophobicContact CZ-CG1 4.07Å; F77-V130 HydrophobicContact CZ-CG2 3.64Å; L100-V130 HydrophobicContact CD2-CG2 3.95Å; F126-V130 HydrophobicContact CD1-CG2 4.39Å; F126-V130 HydrophobicContact CE1-CG2 3.99Å; F126-V130 HydrophobicContact CE2-CG2 4.18Å; F126-V130 HydrophobicContact CZ-CG2 3.89Å; F126-V130 WeakPolarHBondContact O-CG2 3.38Å; F126-V130 PolarHBondContact O-N 3.02Å; D127-V130 PolarHBondContact O-N 3.17Å; V130-I132 PolarHBondContact O-N 3.09Å; V130-L133 PolarHBondContact O-N 3.27Å; V130-T134 VanDerWaalsContact O-CB 3.31Å; V130-T134 WeakPolarHBondContact O-CB 3.28Å; V130-T134 PolarHBondContact O-N 3.42Å; V130-T134 PolarHBondContact O-OG1 3.13Å
131N83.4Confident76.9Confident94 Ų9466.3 Ų66.350%0.50331%0.308SS..Hα-helixtrans-62.4-43.5177.2-75.5-35.7000113D127 E128 T129 T134 Q135D127-N131 WeakPolarHBondContact O-CB 3.38Å; D127-N131 VanDerWaalsContact O-CG 3.29Å; D127-N131 PolarHBondContact O-N 2.93Å; D127-N131 PolarHBondContact O-ND2 2.96Å; D127-N131 VanDerWaalsContact O-ND2 3.1Å; E128-N131 PolarHBondContact O-N 3.43Å; T129-N131 VanDerWaalsContact C-N 3.29Å; T129-N131 PolarHBondContact O-N 3.16Å; N131-T134 PolarHBondContact O-N 2.93Å; N131-Q135 WeakPolarHBondContact O-CG 3.41Å; N131-Q135 PolarHBondContact O-N 3.11Å
132I78.9Confident77.8Confident50 Ų5067 Ų6726%0.25631%0.313SS..Hα-helixtrans-62-47.4176.9-70166.1000110.4E128 T129 V130 T134 Q135 M136E128-I132 HydrophobicContact CG-CD1 4.09Å; E128-I132 VanDerWaalsContact O-CG1 3.28Å; E128-I132 WeakPolarHBondContact O-CG1 3.44Å; E128-I132 PolarHBondContact O-N 2.97Å; T129-I132 PolarHBondContact O-N 3.38Å; V130-I132 PolarHBondContact O-N 3.09Å; I132-T134 VanDerWaalsContact C-N 3.34Å; I132-T134 PolarHBondContact O-N 2.71Å; I132-Q135 PolarHBondContact O-N 3.47Å; I132-Q135 VanDerWaalsContact O-N 3.17Å; I132-M136 HydrophobicContact CG2-CE 3.44Å; I132-M136 VanDerWaalsContact CG2-CE 3.44Å; I132-M136 HydrophobicContact CG2-SD 3.85Å; I132-M136 WeakPolarHBondContact O-CG 3.37Å; I132-M136 PolarHBondContact O-N 3.28Å
133L83Confident78.7Confident0 Ų061 Ų610%030%0.295CS..Hα-helixtrans-65-38.4179.1-67.4173.6000112F73 L100 L104 I116 T129 V130 M136 F137F73-L133 HydrophobicContact CD1-CB 3.78Å; F73-L133 HydrophobicContact CD2-CB 4.08Å; F73-L133 HydrophobicContact CE1-CB 3.54Å; F73-L133 HydrophobicContact CE1-CD1 4.39Å; F73-L133 HydrophobicContact CE2-CB 3.87Å; F73-L133 HydrophobicContact CE2-CD1 3.69Å; F73-L133 HydrophobicContact CE2-CG 4.39Å; F73-L133 HydrophobicContact CG-CB 4.04Å; F73-L133 HydrophobicContact CZ-CB 3.6Å; F73-L133 HydrophobicContact CZ-CD1 3.61Å; F73-L133 HydrophobicContact CZ-CG 4.27Å; L100-L133 HydrophobicContact CD2-CD1 3.68Å; L100-L133 HydrophobicContact CG-CD1 4.01Å; L104-L133 HydrophobicContact CD1-CD1 3.84Å; L104-L133 HydrophobicContact CD1-CD2 3.56Å; L104-L133 HydrophobicContact CD1-CG 4.37Å; I116-L133 HydrophobicContact CD1-CD2 3.66Å; I116-L133 HydrophobicContact CG1-CD2 3.98Å; I116-L133 HydrophobicContact CG2-CD2 4.45Å; T129-L133 HydrophobicContact CG2-CD1 3.96Å; T129-L133 HydrophobicContact CG2-CG 4.37Å; T129-L133 WeakPolarHBondContact O-CB 3.3Å; T129-L133 VanDerWaalsContact O-CG 3.29Å; T129-L133 WeakPolarHBondContact O-CG 3.34Å; T129-L133 PolarHBondContact O-N 3.08Å; V130-L133 PolarHBondContact O-N 3.27Å; L133-M136 PolarHBondContact O-N 3.32Å; L133-F137 HydrophobicContact CB-CD2 4.38Å; L133-F137 HydrophobicContact CD2-CD2 3.86Å; L133-F137 HydrophobicContact CD2-CE2 3.61Å; L133-F137 WeakPolarHBondContact O-CA 3.26Å; L133-F137 WeakPolarHBondContact O-CB 3.47Å; L133-F137 PolarHBondContact O-N 3.39Å
134T83.2Confident79.4Confident32 Ų3256.7 Ų56.720%0.19627%0.271CS..Hα-helixtrans-61.9-40.5171.6-69.80000111.7F73 E74 V130 N131 I132 G138F73-T134 WeakPolarHBondContact CD1-OG1 3.48Å; E74-T134 HydrophobicContact CG-CG2 3.48Å; E74-T134 VanDerWaalsContact CG-CG2 3.48Å; E74-T134 WeakPolarHBondContact OE1-CG2 3.5Å; V130-T134 VanDerWaalsContact O-CB 3.31Å; V130-T134 WeakPolarHBondContact O-CB 3.28Å; V130-T134 PolarHBondContact O-N 3.42Å; V130-T134 PolarHBondContact O-OG1 3.13Å; N131-T134 PolarHBondContact O-N 2.93Å; I132-T134 VanDerWaalsContact C-N 3.34Å; I132-T134 PolarHBondContact O-N 2.71Å; T134-G138 WeakPolarHBondContact O-CA 3.49Å; T134-G138 PolarHBondContact O-N 2.87Å
135Q75.3Confident79.8Confident156 Ų15659 Ų5973%0.72928%0.283SS*.Hα-helixtrans-68.8-35.5176-73-178.6-1.900112.8N131 I132N131-Q135 WeakPolarHBondContact O-CG 3.41Å; N131-Q135 PolarHBondContact O-N 3.11Å; I132-Q135 PolarHBondContact O-N 3.47Å; I132-Q135 VanDerWaalsContact O-N 3.17Å
136M74.6Confident79.8Confident48 Ų4852 Ų5224%0.23626%0.257CS..Hα-helixtrans-80.4-44.1-177.6-70179.1-175.900113.2Y115 I116 I132 L133 Q140Y115-M136 HydrophobicContact CG-CE 4.13Å; I116-M136 HydrophobicContact CD1-SD 4.45Å; I116-M136 HydrophobicContact CG1-SD 3.76Å; I132-M136 HydrophobicContact CG2-CE 3.44Å; I132-M136 VanDerWaalsContact CG2-CE 3.44Å; I132-M136 HydrophobicContact CG2-SD 3.85Å; I132-M136 WeakPolarHBondContact O-CG 3.37Å; I132-M136 PolarHBondContact O-N 3.28Å; L133-M136 PolarHBondContact O-N 3.32Å; M136-Q140 PolarHBondContact O-NE2 3.48Å
137F78.1Confident79.9Confident1 Ų152.3 Ų52.30%0.00426%0.258CS..Hα-helixtrans-120.62-171-51.2-63.5000113.1F63 Y65 F73 V108 D112 I116 L133F63-F137 HydrophobicContact CE1-CB 3.98Å; F63-F137 HydrophobicContact CE1-CG 4.29Å; F63-F137 HydrophobicContact CZ-CB 4.18Å; Y65-F137 AromaticContact CD1-CD1 3.68Å; Y65-F137 HydrophobicContact CD1-CD1 3.68Å; Y65-F137 HydrophobicContact CD1-CE1 4.19Å; Y65-F137 HydrophobicContact CD2-CB 3.86Å; Y65-F137 AromaticContact CD2-CD1 3.92Å; Y65-F137 HydrophobicContact CD2-CD1 3.92Å; Y65-F137 HydrophobicContact CD2-CG 4.32Å; Y65-F137 HydrophobicContact CE1-CD1 4.01Å; Y65-F137 HydrophobicContact CE2-CB 4.11Å; Y65-F137 HydrophobicContact CE2-CD1 4.26Å; Y65-F137 HydrophobicContact CG-CB 4.36Å; Y65-F137 AromaticContact CG-CD1 3.62Å; Y65-F137 HydrophobicContact CG-CD1 3.62Å; Y65-F137 HydrophobicContact CG-CE1 4.42Å; Y65-F137 HydrophobicContact CG-CG 4.34Å; F73-F137 HydrophobicContact CB-CB 3.7Å; F73-F137 PolarHBondContact N-O 2.86Å; V108-F137 HydrophobicContact CB-CE1 4.36Å; V108-F137 HydrophobicContact CB-CZ 4.21Å; V108-F137 HydrophobicContact CG1-CE1 3.72Å; V108-F137 HydrophobicContact CG1-CE2 4.47Å; V108-F137 HydrophobicContact CG1-CZ 3.37Å; V108-F137 HydrophobicContact CG2-CE1 3.88Å; V108-F137 HydrophobicContact CG2-CE2 4.39Å; V108-F137 HydrophobicContact CG2-CZ 3.74Å; D112-F137 HydrophobicContact CB-CE1 4.4Å; D112-F137 HydrophobicContact CB-CZ 4.24Å; I116-F137 HydrophobicContact CD1-CE2 3.68Å; I116-F137 HydrophobicContact CD1-CZ 3.94Å; L133-F137 HydrophobicContact CB-CD2 4.38Å; L133-F137 HydrophobicContact CD2-CD2 3.86Å; L133-F137 HydrophobicContact CD2-CE2 3.61Å; L133-F137 WeakPolarHBondContact O-CA 3.26Å; L133-F137 WeakPolarHBondContact O-CB 3.47Å; L133-F137 PolarHBondContact O-N 3.39Å
138G74.1Confident80Confident3 Ų350.9 Ų50.93%0.03125%0.248CC..SBendtrans-75.9-167.2171.100000112T134 Q140T134-G138 WeakPolarHBondContact O-CA 3.49Å; T134-G138 PolarHBondContact O-N 2.87Å; G138-Q140 PolarHBondContact O-N 3.17Å
139Q68.5Low80Confident66 Ų6651 Ų5131%0.30825%0.245SC..  trans-69.5102.2-172.9-165.8165.30.100112.2T72 E74 R141T72-Q139 HydrophobicContact CG2-CB 4.3Å; E74-Q139 PolarHBondContact OE2-N 2.94Å; Q139-R141 PolarHBondContact O-N 3.3Å
140Q63.2Low80.3Confident125 Ų12551.5 Ų51.558%0.58425%0.249SC*.  trans-64.8-5.2179.9-66.2-62.8-23.300114.8M136 G138M136-Q140 PolarHBondContact O-NE2 3.48Å; G138-Q140 PolarHBondContact O-N 3.17Å
141R68.1Low80.4Confident133 Ų13353.7 Ų53.750%0.50226%0.259SS..SBendtrans-102.3124.5-174.8-66.3-173.8178.5-176.10.3110.4Q139 N145 R149Q139-R141 PolarHBondContact O-N 3.3Å; R141-N145 HydrophobicContact CB-CB 4.25Å; R141-R149 VanDerWaalsContact NH1-CD 3.34Å
142S77.2Confident80.7Confident42 Ų4252 Ų5229%0.29425%0.251SS..  trans-53.1147.1172.560.60000111.7F144 N145 A146S142-F144 PolarHBondContact O-N 2.96Å; S142-N145 WeakPolarHBondContact O-CA 3.45Å; S142-N145 WeakPolarHBondContact O-CB 3.38Å; S142-N145 PolarHBondContact O-N 3.32Å; S142-N145 PolarHBondContact OG-ND2 3.1Å; S142-A146 PolarHBondContact O-N 3.49Å
143L83.6Confident81.2Confident64 Ų6451.6 Ų51.634%0.33525%0.249SC..Hα-helixtrans-48.4-37.5177.8-177.959.5000113.4N145 A146 R147 Q176L143-N145 PolarHBondContact O-N 2.89Å; L143-A146 PolarHBondContact O-N 3.26Å; L143-R147 WeakPolarHBondContact O-CG 3.39Å; L143-R147 PolarHBondContact O-N 2.94Å; L143-Q176 HydrophobicContact CD1-CB 4.15Å; L143-Q176 HydrophobicContact CD1-CG 4.01Å
144F84Confident81.7Confident21 Ų2157 Ų579%0.09228%0.282CS..Hα-helixtrans-57.6-46.4173.1173.7-102.4000113.4S142 A146 R147 Y148 L188 L207 I210 K211S142-F144 PolarHBondContact O-N 2.96Å; F144-A146 VanDerWaalsContact C-N 3.34Å; F144-R147 PolarHBondContact O-N 3.41Å; F144-Y148 WeakPolarHBondContact O-CB 3.43Å; F144-Y148 PolarHBondContact O-N 2.78Å; F144-L188 HydrophobicContact CD2-CD2 4.14Å; F144-L188 HydrophobicContact CE2-CD2 3.69Å; F144-L207 HydrophobicContact CE1-CB 4.09Å; F144-L207 HydrophobicContact CE1-CD2 3.89Å; F144-L207 WeakPolarHBondContact CE1-O 3.4Å; F144-L207 HydrophobicContact CZ-CB 4.08Å; F144-L207 HydrophobicContact CZ-CD2 3.46Å; F144-L207 VanDerWaalsContact CZ-CD2 3.46Å; F144-L207 HydrophobicContact CZ-CG 4.37Å; F144-L207 WeakPolarHBondContact CZ-O 3.35Å; F144-I210 HydrophobicContact CD2-CB 4.07Å; F144-I210 HydrophobicContact CD2-CG2 3.51Å; F144-I210 HydrophobicContact CE2-CB 3.49Å; F144-I210 VanDerWaalsContact CE2-CB 3.49Å; F144-I210 HydrophobicContact CE2-CD1 4.13Å; F144-I210 HydrophobicContact CE2-CG1 4.42Å; F144-I210 HydrophobicContact CE2-CG2 3.29Å; F144-I210 HydrophobicContact CZ-CB 4.04Å; F144-I210 HydrophobicContact CZ-CD1 4.5Å; F144-I210 HydrophobicContact CZ-CG2 4.31Å; F144-K211 HydrophobicContact CB-CB 4.48Å; F144-K211 HydrophobicContact CB-CG 4.46Å; F144-K211 HydrophobicContact CD1-CB 3.83Å; F144-K211 HydrophobicContact CD1-CG 4.25Å; F144-K211 HydrophobicContact CE1-CB 4.29Å; F144-K211 HydrophobicContact CG-CB 4.14Å
145N81.2Confident82.2Confident62 Ų6258.7 Ų58.733%0.33229%0.286SS..Hα-helixtrans-66.5-37.4179-73.7-12.1000111.4R141 S142 L143 R149R141-N145 HydrophobicContact CB-CB 4.25Å; S142-N145 WeakPolarHBondContact O-CA 3.45Å; S142-N145 WeakPolarHBondContact O-CB 3.38Å; S142-N145 PolarHBondContact O-N 3.32Å; S142-N145 PolarHBondContact OG-ND2 3.1Å; L143-N145 PolarHBondContact O-N 2.89Å; N145-R149 VanDerWaalsContact O-CB 3.28Å; N145-R149 WeakPolarHBondContact O-CB 3.28Å; N145-R149 PolarHBondContact O-N 3.22Å
146A85.1Confident82.9Confident4 Ų455.1 Ų55.13%0.03327%0.272CS..Hα-helixtrans-60.7-47.2173.400000110.7S142 L143 F144 R149 C150 R174S142-A146 PolarHBondContact O-N 3.49Å; L143-A146 PolarHBondContact O-N 3.26Å; F144-A146 VanDerWaalsContact C-N 3.34Å; A146-R149 PolarHBondContact O-N 3.07Å; A146-C150 WeakPolarHBondContact O-CB 3.25Å; A146-C150 PolarHBondContact O-N 2.93Å; A146-R174 HydrophobicContact CB-CB 4.38Å
147R90.6Very high83.9Confident27 Ų2757.8 Ų57.810%0.10230%0.302CS..Hα-helixtrans-61.4-48.8177.9-71168.6176.4173.9-2.8112.8L143 F144 R149 C150 L151 F175 T179 L188L143-R147 WeakPolarHBondContact O-CG 3.39Å; L143-R147 PolarHBondContact O-N 2.94Å; F144-R147 PolarHBondContact O-N 3.41Å; R147-R149 VanDerWaalsContact C-N 3.34Å; R147-R149 PolarHBondContact O-N 3.18Å; R147-C150 PolarHBondContact O-N 2.96Å; R147-L151 PolarHBondContact O-N 3.31Å; R147-F175 VanDerWaalsContact CA-CD2 3.43Å; R147-F175 HydrophobicContact CB-CD2 3.84Å; R147-F175 HydrophobicContact CB-CE2 3.67Å; R147-F175 HydrophobicContact CB-CZ 4.28Å; R147-F175 HydrophobicContact CG-CD1 4.26Å; R147-F175 HydrophobicContact CG-CD2 3.78Å; R147-F175 HydrophobicContact CG-CE1 4.36Å; R147-F175 HydrophobicContact CG-CE2 3.87Å; R147-F175 HydrophobicContact CG-CG 3.97Å; R147-F175 HydrophobicContact CG-CZ 4.17Å; R147-F175 WeakPolarHBondContact CG-O 3.33Å; R147-F175 PolarHBondContact NE-O 2.76Å; R147-F175 WeakPolarHBondContact O-CE2 3.4Å; R147-T179 PolarHBondContact NH2-OG1 3.03Å; R147-L188 HydrophobicContact CB-CD1 3.83Å; R147-L188 HydrophobicContact CB-CD2 4.47Å
148Y88.5Confident84.6Confident39 Ų3965.1 Ų65.115%0.15334%0.336CS..Hα-helixtrans-63.3-39.3178.7-174.6-110.5000112.2F144 L151 N152 V191 C192 L207F144-Y148 WeakPolarHBondContact O-CB 3.43Å; F144-Y148 PolarHBondContact O-N 2.78Å; Y148-L151 PolarHBondContact O-N 2.8Å; Y148-N152 VanDerWaalsContact CE1-ND2 3.27Å; Y148-N152 WeakPolarHBondContact CE1-ND2 3.34Å; Y148-N152 VanDerWaalsContact CE2-ND2 3.3Å; Y148-N152 WeakPolarHBondContact CE2-ND2 3.47Å; Y148-N152 PolarHBondContact O-N 2.85Å; Y148-N152 PolarHBondContact O-ND2 3.35Å; Y148-V191 HydrophobicContact CE2-CG1 4.39Å; Y148-C192 VanDerWaalsContact CE2-SG 3.58Å; Y148-L207 HydrophobicContact CD1-CD2 4.18Å; Y148-L207 HydrophobicContact CD2-CD2 3.71Å; Y148-L207 HydrophobicContact CE1-CD1 4.24Å; Y148-L207 HydrophobicContact CE1-CD2 4.1Å; Y148-L207 HydrophobicContact CE2-CD2 3.64Å; Y148-L207 HydrophobicContact CG-CD2 3.99Å
149R85.9Confident85.4Confident78 Ų7866.1 Ų66.129%0.29434%0.34SS..Hα-helixtrans-64.6-47.2177-179.2175.5-175.6-149.66.5112.2E70 R141 N145 A146 R147 L151 N152 L153 E171E70-R149 IonicContact OE1-CZ 2.77Å; E70-R149 IonicContact OE1-NH1 3.57Å; E70-R149 PolarHBondContact OE1-NH1 2.73Å; E70-R149 IonicContact OE1-NH2 2.66Å; E70-R149 PolarHBondContact OE1-NH2 3.36Å; R141-R149 VanDerWaalsContact NH1-CD 3.34Å; N145-R149 VanDerWaalsContact O-CB 3.28Å; N145-R149 WeakPolarHBondContact O-CB 3.28Å; N145-R149 PolarHBondContact O-N 3.22Å; A146-R149 PolarHBondContact O-N 3.07Å; R147-R149 VanDerWaalsContact C-N 3.34Å; R147-R149 PolarHBondContact O-N 3.18Å; R149-L151 PolarHBondContact O-N 3.11Å; R149-N152 CarbonylContact O-C 3.53Å; R149-N152 WeakPolarHBondContact O-CA 3.26Å; R149-N152 PolarHBondContact O-N 2.87Å; R149-L153 PolarHBondContact O-N 2.77Å; R149-L153 VanDerWaalsContact O-N 3.17Å; R149-E171 VanDerWaalsContact CD-OE2 3.25Å; R149-E171 WeakPolarHBondContact CD-OE2 3.36Å; R149-E171 IonicContact CZ-OE1 3.22Å; R149-E171 IonicContact CZ-OE2 3.71Å; R149-E171 IonicContact NE-OE2 3.55Å; R149-E171 IonicContact NH1-OE1 2.95Å; R149-E171 PolarHBondContact NH1-OE1 2.84Å; R149-E171 VanDerWaalsContact NH1-OE1 3.09Å; R149-E171 IonicContact NH1-OE2 3.23Å; R149-E171 PolarHBondContact NH1-OE2 3.03Å
150C90.4Very high86.6Confident19 Ų1967.1 Ų67.113%0.12835%0.348CS..Hα-helixtrans-54-40.5179-170.80000111.8A146 R147 N152 L153 E171 C172 F175A146-C150 WeakPolarHBondContact O-CB 3.25Å; A146-C150 PolarHBondContact O-N 2.93Å; R147-C150 PolarHBondContact O-N 2.96Å; C150-N152 VanDerWaalsContact C-N 3.29Å; C150-N152 PolarHBondContact O-N 3.32Å; C150-L153 WeakPolarHBondContact O-CG 3.28Å; C150-L153 PolarHBondContact O-N 2.87Å; C150-E171 HydrophobicContact CB-CB 4.31Å; C150-C172 VanDerWaalsContact SG-SG 3.62Å; C150-F175 HydrophobicContact CB-CB 4.47Å; C150-F175 HydrophobicContact CB-CD2 3.59Å; C150-F175 HydrophobicContact CB-CE2 4.35Å; C150-F175 HydrophobicContact CB-CG 4.48Å
151L91.2Very high88.2Confident63 Ų6370.4 Ų70.433%0.3336%0.356SS..Hα-helixtrans-72.5-19.4178.3-67.5171.9000114R147 Y148 R149 F175 F185 L188R147-L151 PolarHBondContact O-N 3.31Å; Y148-L151 PolarHBondContact O-N 2.8Å; R149-L151 PolarHBondContact O-N 3.11Å; L151-F175 HydrophobicContact CD1-CE2 4.27Å; L151-F175 HydrophobicContact CD2-CE2 4.36Å; L151-F175 HydrophobicContact CG-CE2 4.01Å; L151-F185 HydrophobicContact CD2-CE2 4.5Å; L151-L188 HydrophobicContact CD1-CB 3.7Å; L151-L188 HydrophobicContact CD1-CD1 4.19Å; L151-L188 HydrophobicContact CD1-CG 4.38Å
152N89.7Confident89.4Confident60 Ų6071.1 Ų71.132%0.32137%0.368SS..THydrogen-bonded Turntrans-104.815.1178.4-66.6-58.4000112.3Y148 R149 C150 T154Y148-N152 VanDerWaalsContact CE1-ND2 3.27Å; Y148-N152 WeakPolarHBondContact CE1-ND2 3.34Å; Y148-N152 VanDerWaalsContact CE2-ND2 3.3Å; Y148-N152 WeakPolarHBondContact CE2-ND2 3.47Å; Y148-N152 PolarHBondContact O-N 2.85Å; Y148-N152 PolarHBondContact O-ND2 3.35Å; R149-N152 CarbonylContact O-C 3.53Å; R149-N152 WeakPolarHBondContact O-CA 3.26Å; R149-N152 PolarHBondContact O-N 2.87Å; C150-N152 VanDerWaalsContact C-N 3.29Å; C150-N152 PolarHBondContact O-N 3.32Å; N152-T154 PolarHBondContact O-N 3.03Å
153L90.6Very high89.9Confident41 Ų4172.3 Ų72.322%0.21537%0.374CS..  trans-62.1128.8177.2-79176.3000110.9R149 C150 I167 V168 E171R149-L153 PolarHBondContact O-N 2.77Å; R149-L153 VanDerWaalsContact O-N 3.17Å; C150-L153 WeakPolarHBondContact O-CG 3.28Å; C150-L153 PolarHBondContact O-N 2.87Å; L153-I167 HydrophobicContact CD2-CG2 4.18Å; L153-V168 HydrophobicContact CD1-CG2 4.19Å; L153-E171 HydrophobicContact CD1-CB 3.75Å; L153-E171 HydrophobicContact CD1-CG 4.05Å; L153-E171 HydrophobicContact CD2-CG 4.25Å
154T92.9Very high90.3Very high113 Ų11371.8 Ų71.869%0.69337%0.368SS*.  trans-127.9134.3171.5-55.40000107.6N152 N156N152-T154 PolarHBondContact O-N 3.03Å; T154-N156 PolarHBondContact O-N 3.42Å
155K93.8Very high90.6Very high67 Ų6772.5 Ų72.529%0.29138%0.381SS..  trans-65.5131176.3-176.2-168.2161.9-62.20110D159 Y161 Y164K155-D159 WeakPolarHBondContact CE-O 3.43Å; K155-D159 HydrophobicContact CG-CB 4.42Å; K155-D159 PolarHBondContact NZ-O 3.11Å; K155-Y161 HydrophobicContact CD-CD1 4.43Å; K155-Y161 HydrophobicContact CD-CE1 4.3Å; K155-Y164 VanDerWaalsContact CA-CE2 3.44Å; K155-Y164 HydrophobicContact CB-CD1 3.95Å; K155-Y164 HydrophobicContact CB-CD2 3.71Å; K155-Y164 HydrophobicContact CB-CE1 3.93Å; K155-Y164 HydrophobicContact CB-CE2 3.7Å; K155-Y164 HydrophobicContact CB-CG 3.84Å; K155-Y164 HydrophobicContact CD-CD1 4.27Å; K155-Y164 HydrophobicContact CD-CG 4.27Å; K155-Y164 HydrophobicContact CG-CD1 4.01Å; K155-Y164 HydrophobicContact CG-CD2 3.84Å; K155-Y164 HydrophobicContact CG-CE2 4.36Å; K155-Y164 HydrophobicContact CG-CG 3.65Å
156N90.1Very high90.8Very high82 Ų8271.2 Ų71.244%0.43938%0.382SS..  trans-71.3154172.2-56.1-59.6000111T154 H158 D159T154-N156 PolarHBondContact O-N 3.42Å; N156-H158 VanDerWaalsContact CB-CE1 3.41Å; N156-H158 WeakPolarHBondContact CB-CE1 3.15Å; N156-H158 PolarHBondContact O-N 2.98Å; N156-D159 VanDerWaalsContact CB-OD2 3.31Å; N156-D159 WeakPolarHBondContact CB-OD2 2.99Å; N156-D159 PolarHBondContact ND2-OD2 2.69Å; N156-D159 PolarHBondContact O-N 3.37Å
157A95Very high90.7Very high104 Ų10472.5 Ų72.586%0.8639%0.389SS*.THydrogen-bonded Turntrans-60.2-32.8-179.500000113.2
158H93Very high90.6Very high154 Ų15473.5 Ų73.571%0.71340%0.397SS*.THydrogen-bonded Turntrans-88.3-15.7-176.356.8-87.4000114.5N156N156-H158 VanDerWaalsContact CB-CE1 3.41Å; N156-H158 WeakPolarHBondContact CB-CE1 3.15Å; N156-H158 PolarHBondContact O-N 2.98Å
159D91Very high90.6Very high24 Ų2476.1 Ų76.113%0.12841%0.414CS..  trans-74.2139.6179.2-66.1-28.5000110.4K155 N156 T163K155-D159 WeakPolarHBondContact CE-O 3.43Å; K155-D159 HydrophobicContact CG-CB 4.42Å; K155-D159 PolarHBondContact NZ-O 3.11Å; N156-D159 VanDerWaalsContact CB-OD2 3.31Å; N156-D159 WeakPolarHBondContact CB-OD2 2.99Å; N156-D159 PolarHBondContact ND2-OD2 2.69Å; N156-D159 PolarHBondContact O-N 3.37Å; D159-T163 HydrophobicContact CB-CG2 4.48Å
160D94.5Very high90.4Very high87 Ų8776.6 Ų76.647%0.46542%0.416SS..  trans-80.3173.6163.866.328.9000111.2I162 T163 Y164D160-I162 VanDerWaalsContact C-N 3.3Å; D160-I162 PolarHBondContact O-N 2.92Å; D160-I162 PolarHBondContact OD1-N 3.28Å; D160-I162 VanDerWaalsContact OD1-N 3.14Å; D160-T163 WeakPolarHBondContact OD1-CB 3.31Å; D160-T163 PolarHBondContact OD1-N 2.86Å; D160-T163 PolarHBondContact OD1-OG1 3.12Å; D160-Y164 WeakPolarHBondContact O-CB 3.31Å; D160-Y164 PolarHBondContact O-N 3.37Å
161Y96.8Very high90.2Very high195 Ų19575.7 Ų75.777%0.76541%0.41SS*.Hα-helixtrans-69.7-26.2-178.4-65.2-63.8000113.6K155 G165K155-Y161 HydrophobicContact CD-CD1 4.43Å; K155-Y161 HydrophobicContact CD-CE1 4.3Å; Y161-G165 PolarHBondContact O-N 2.83Å
162I92.6Very high90Very high147 Ų14775.5 Ų75.575%0.75441%0.413SS*.Hα-helixtrans-71.9-49.7179.1-63.4175.1000109D160 Y164 G165 G166D160-I162 VanDerWaalsContact C-N 3.3Å; D160-I162 PolarHBondContact O-N 2.92Å; D160-I162 PolarHBondContact OD1-N 3.28Å; D160-I162 VanDerWaalsContact OD1-N 3.14Å; I162-Y164 PolarHBondContact O-N 3.29Å; I162-G165 PolarHBondContact O-N 3.28Å; I162-G166 PolarHBondContact O-N 3.43Å
163T87.4Confident89.8Confident67 Ų6779 Ų7941%0.41143%0.427SS..Hα-helixtrans-58.3-49.6175.9-55.90000110D159 D160 G165 G166 I167D159-T163 HydrophobicContact CB-CG2 4.48Å; D160-T163 WeakPolarHBondContact OD1-CB 3.31Å; D160-T163 PolarHBondContact OD1-N 2.86Å; D160-T163 PolarHBondContact OD1-OG1 3.12Å; T163-G165 PolarHBondContact O-N 3.36Å; T163-G166 PolarHBondContact O-N 3.06Å; T163-I167 HydrophobicContact CG2-CD1 4.29Å; T163-I167 WeakPolarHBondContact O-CG1 3.3Å; T163-I167 PolarHBondContact O-N 2.93Å
164Y91.6Very high89.5Confident54 Ų5478.6 Ų78.621%0.21242%0.423CS..Hα-helixtrans-63.4-42.5177.5-176.2-118.6000112.7K155 D160 I162 G166 I167 V168K155-Y164 VanDerWaalsContact CA-CE2 3.44Å; K155-Y164 HydrophobicContact CB-CD1 3.95Å; K155-Y164 HydrophobicContact CB-CD2 3.71Å; K155-Y164 HydrophobicContact CB-CE1 3.93Å; K155-Y164 HydrophobicContact CB-CE2 3.7Å; K155-Y164 HydrophobicContact CB-CG 3.84Å; K155-Y164 HydrophobicContact CD-CD1 4.27Å; K155-Y164 HydrophobicContact CD-CG 4.27Å; K155-Y164 HydrophobicContact CG-CD1 4.01Å; K155-Y164 HydrophobicContact CG-CD2 3.84Å; K155-Y164 HydrophobicContact CG-CE2 4.36Å; K155-Y164 HydrophobicContact CG-CG 3.65Å; D160-Y164 WeakPolarHBondContact O-CB 3.31Å; D160-Y164 PolarHBondContact O-N 3.37Å; I162-Y164 PolarHBondContact O-N 3.29Å; Y164-G166 VanDerWaalsContact C-N 3.28Å; Y164-G166 PolarHBondContact O-N 2.74Å; Y164-I167 WeakPolarHBondContact O-CB 3.46Å; Y164-I167 PolarHBondContact O-N 3.31Å; Y164-I167 VanDerWaalsContact O-N 3.11Å; Y164-V168 HydrophobicContact CD1-CG2 4.21Å; Y164-V168 HydrophobicContact CD2-CG2 4.32Å; Y164-V168 HydrophobicContact CE1-CG2 3.78Å; Y164-V168 HydrophobicContact CE2-CG2 3.89Å; Y164-V168 HydrophobicContact CG-CG2 4.47Å; Y164-V168 WeakPolarHBondContact O-CG2 3.41Å; Y164-V168 PolarHBondContact O-N 3.32Å
165G90.4Very high89.3Confident36 Ų3673.7 Ų73.737%0.37139%0.392SS..Hα-helixtrans-58.3-40.3174.500000112.4Y161 I162 T163 V168 N169Y161-G165 PolarHBondContact O-N 2.83Å; I162-G165 PolarHBondContact O-N 3.28Å; T163-G165 PolarHBondContact O-N 3.36Å; G165-V168 PolarHBondContact O-N 2.96Å; G165-N169 WeakPolarHBondContact O-CB 3.37Å; G165-N169 PolarHBondContact O-N 3.37Å
166G85.5Confident89Confident34 Ų3475.2 Ų75.235%0.35140%0.4SS..Hα-helixtrans-63.2-41.4172.800000113.2I162 T163 Y164 R170I162-G166 PolarHBondContact O-N 3.43Å; T163-G166 PolarHBondContact O-N 3.06Å; Y164-G166 VanDerWaalsContact C-N 3.28Å; Y164-G166 PolarHBondContact O-N 2.74Å; G166-R170 VanDerWaalsContact O-CB 3.3Å; G166-R170 WeakPolarHBondContact O-CB 3.45Å; G166-R170 PolarHBondContact O-N 2.94Å
167I83.8Confident89Confident32 Ų3276.8 Ų76.816%0.16441%0.408CS..Hα-helixtrans-62.2-48.6174.5-65.3165.4000110.6L153 T163 Y164 R170 E171L153-I167 HydrophobicContact CD2-CG2 4.18Å; T163-I167 HydrophobicContact CG2-CD1 4.29Å; T163-I167 WeakPolarHBondContact O-CG1 3.3Å; T163-I167 PolarHBondContact O-N 2.93Å; Y164-I167 WeakPolarHBondContact O-CB 3.46Å; Y164-I167 PolarHBondContact O-N 3.31Å; Y164-I167 VanDerWaalsContact O-N 3.11Å; I167-R170 PolarHBondContact O-N 3.05Å; I167-E171 HydrophobicContact CG2-CG 4.43Å; I167-E171 WeakPolarHBondContact O-CG 3.4Å; I167-E171 PolarHBondContact O-N 2.9Å
168V88.4Confident88.8Confident47 Ų4776 Ų7629%0.28541%0.41SS..Hα-helixtrans-59.5-49.7178.7171.70000110.6L153 Y164 G165 R170 E171 C172L153-V168 HydrophobicContact CD1-CG2 4.19Å; Y164-V168 HydrophobicContact CD1-CG2 4.21Å; Y164-V168 HydrophobicContact CD2-CG2 4.32Å; Y164-V168 HydrophobicContact CE1-CG2 3.78Å; Y164-V168 HydrophobicContact CE2-CG2 3.89Å; Y164-V168 HydrophobicContact CG-CG2 4.47Å; Y164-V168 WeakPolarHBondContact O-CG2 3.41Å; Y164-V168 PolarHBondContact O-N 3.32Å; G165-V168 PolarHBondContact O-N 2.96Å; V168-R170 VanDerWaalsContact C-N 3.3Å; V168-R170 PolarHBondContact O-N 2.94Å; V168-E171 PolarHBondContact O-N 3.18Å; V168-C172 VanDerWaalsContact O-CB 3.28Å; V168-C172 WeakPolarHBondContact O-CB 2.94Å; V168-C172 PolarHBondContact O-N 3.29Å; V168-C172 PolarHBondContact O-SG 3.38Å
169N87.6Confident88.6Confident95 Ų9572.9 Ų72.951%0.50840%0.402SS..Hα-helixtrans-58.9-43.4179.8-172.554.1000111.7G165 C172 Q173G165-N169 WeakPolarHBondContact O-CB 3.37Å; G165-N169 PolarHBondContact O-N 3.37Å; N169-C172 PolarHBondContact O-N 3.44Å; N169-Q173 WeakPolarHBondContact O-CG 3.38Å; N169-Q173 PolarHBondContact O-N 2.98Å
170R83.3Confident88.6Confident87 Ų8773 Ų7333%0.32840%0.402SS..Hα-helixtrans-63-46.5178.4-176.1172.367.2-108.85.7112.5E70 G166 I167 V168 Q173 R174E70-R170 IonicContact OE2-CZ 2.69Å; E70-R170 VanDerWaalsContact OE2-CZ 3.26Å; E70-R170 IonicContact OE2-NE 3.43Å; E70-R170 PolarHBondContact OE2-NE 3.36Å; E70-R170 IonicContact OE2-NH2 3.14Å; E70-R170 PolarHBondContact OE2-NH2 2.77Å; G166-R170 VanDerWaalsContact O-CB 3.3Å; G166-R170 WeakPolarHBondContact O-CB 3.45Å; G166-R170 PolarHBondContact O-N 2.94Å; I167-R170 PolarHBondContact O-N 3.05Å; V168-R170 VanDerWaalsContact C-N 3.3Å; V168-R170 PolarHBondContact O-N 2.94Å; R170-Q173 PolarHBondContact O-N 3.14Å; R170-R174 WeakPolarHBondContact O-CG 3.4Å; R170-R174 PolarHBondContact O-N 3.44Å; R170-R174 VanDerWaalsContact O-N 3.13Å
171E84.9Confident88.4Confident1 Ų171.2 Ų71.21%0.00540%0.397CS..Hα-helixtrans-70.3-33.4178.9-67.6-69.412300111.8R149 C150 L153 I167 V168 R174 F175R149-E171 VanDerWaalsContact CD-OE2 3.25Å; R149-E171 WeakPolarHBondContact CD-OE2 3.36Å; R149-E171 IonicContact CZ-OE1 3.22Å; R149-E171 IonicContact CZ-OE2 3.71Å; R149-E171 IonicContact NE-OE2 3.55Å; R149-E171 IonicContact NH1-OE1 2.95Å; R149-E171 PolarHBondContact NH1-OE1 2.84Å; R149-E171 VanDerWaalsContact NH1-OE1 3.09Å; R149-E171 IonicContact NH1-OE2 3.23Å; R149-E171 PolarHBondContact NH1-OE2 3.03Å; C150-E171 HydrophobicContact CB-CB 4.31Å; L153-E171 HydrophobicContact CD1-CB 3.75Å; L153-E171 HydrophobicContact CD1-CG 4.05Å; L153-E171 HydrophobicContact CD2-CG 4.25Å; I167-E171 HydrophobicContact CG2-CG 4.43Å; I167-E171 WeakPolarHBondContact O-CG 3.4Å; I167-E171 PolarHBondContact O-N 2.9Å; V168-E171 PolarHBondContact O-N 3.18Å; E171-R174 CarbonylContact O-C 3.53Å; E171-R174 PolarHBondContact O-N 3.48Å; E171-R174 IonicContact OE1-NH1 3.21Å; E171-R174 PolarHBondContact OE1-NH1 3.41Å; E171-F175 WeakPolarHBondContact O-CB 3.41Å; E171-F175 PolarHBondContact O-N 2.96Å
172C87.5Confident88.3Confident58 Ų5868.4 Ų68.439%0.39239%0.391SS..Hα-helixtrans-66.8-34.5172.3-76.30000113C150 V168 N169 F175C150-C172 VanDerWaalsContact SG-SG 3.62Å; V168-C172 VanDerWaalsContact O-CB 3.28Å; V168-C172 WeakPolarHBondContact O-CB 2.94Å; V168-C172 PolarHBondContact O-N 3.29Å; V168-C172 PolarHBondContact O-SG 3.38Å; N169-C172 PolarHBondContact O-N 3.44Å; C172-F175 VanDerWaalsContact O-CB 3.26Å; C172-F175 WeakPolarHBondContact O-CB 3.5Å; C172-F175 PolarHBondContact O-N 3.36Å
173Q86Confident88.3Confident134 Ų13464.4 Ų64.463%0.62637%0.371SS*.Hα-helixtrans-64.6-47.2171.2-75.5176.5-15.400110.7N169 R170 F175 Q176N169-Q173 WeakPolarHBondContact O-CG 3.38Å; N169-Q173 PolarHBondContact O-N 2.98Å; R170-Q173 PolarHBondContact O-N 3.14Å; Q173-F175 PolarHBondContact O-N 2.87Å; Q173-Q176 PolarHBondContact O-N 3.23Å; Q173-Q176 VanDerWaalsContact O-N 3.08Å
174R82.7Confident88.5Confident32 Ų3262 Ų6212%0.12136%0.356CS..Hα-helixtrans-63.7-25176.3-72170.5161.7172.74.1113.7E70 A146 R170 E171 Q176E70-R174 PolarHBondContact O-NH2 2.96Å; E70-R174 VanDerWaalsContact O-NH2 3.07Å; E70-R174 IonicContact OE2-NH1 3.03Å; E70-R174 PolarHBondContact OE2-NH1 2.98Å; E70-R174 VanDerWaalsContact OE2-NH1 3.11Å; A146-R174 HydrophobicContact CB-CB 4.38Å; R170-R174 WeakPolarHBondContact O-CG 3.4Å; R170-R174 PolarHBondContact O-N 3.44Å; R170-R174 VanDerWaalsContact O-N 3.13Å; E171-R174 CarbonylContact O-C 3.53Å; E171-R174 PolarHBondContact O-N 3.48Å; E171-R174 IonicContact OE1-NH1 3.21Å; E171-R174 PolarHBondContact OE1-NH1 3.41Å; R174-Q176 PolarHBondContact O-N 3.39Å
175F89.3Confident88.6Confident10 Ų1063.6 Ų63.64%0.04436%0.364CS..THydrogen-bonded Turntrans-61.3-26.7174.4-169-85.3000112.4R147 C150 L151 E171 C172 Q173 L177 L180 L188R147-F175 VanDerWaalsContact CA-CD2 3.43Å; R147-F175 HydrophobicContact CB-CD2 3.84Å; R147-F175 HydrophobicContact CB-CE2 3.67Å; R147-F175 HydrophobicContact CB-CZ 4.28Å; R147-F175 HydrophobicContact CG-CD1 4.26Å; R147-F175 HydrophobicContact CG-CD2 3.78Å; R147-F175 HydrophobicContact CG-CE1 4.36Å; R147-F175 HydrophobicContact CG-CE2 3.87Å; R147-F175 HydrophobicContact CG-CG 3.97Å; R147-F175 HydrophobicContact CG-CZ 4.17Å; R147-F175 WeakPolarHBondContact CG-O 3.33Å; R147-F175 PolarHBondContact NE-O 2.76Å; R147-F175 WeakPolarHBondContact O-CE2 3.4Å; C150-F175 HydrophobicContact CB-CB 4.47Å; C150-F175 HydrophobicContact CB-CD2 3.59Å; C150-F175 HydrophobicContact CB-CE2 4.35Å; C150-F175 HydrophobicContact CB-CG 4.48Å; L151-F175 HydrophobicContact CD1-CE2 4.27Å; L151-F175 HydrophobicContact CD2-CE2 4.36Å; L151-F175 HydrophobicContact CG-CE2 4.01Å; E171-F175 WeakPolarHBondContact O-CB 3.41Å; E171-F175 PolarHBondContact O-N 2.96Å; C172-F175 VanDerWaalsContact O-CB 3.26Å; C172-F175 WeakPolarHBondContact O-CB 3.5Å; C172-F175 PolarHBondContact O-N 3.36Å; Q173-F175 PolarHBondContact O-N 2.87Å; F175-L177 HydrophobicContact CD1-CB 3.89Å; F175-L177 HydrophobicContact CD1-CD1 3.94Å; F175-L177 HydrophobicContact CE1-CB 4.34Å; F175-L177 HydrophobicContact CE1-CD1 3.52Å; F175-L180 HydrophobicContact CE1-CB 4.37Å; F175-L180 HydrophobicContact CE1-CD2 3.39Å; F175-L180 HydrophobicContact CE1-CG 4.38Å; F175-L180 HydrophobicContact CZ-CD2 3.54Å; F175-L188 HydrophobicContact CZ-CD1 4.31Å
176Q87.3Confident88.8Confident100 Ų10065.5 Ų65.547%0.46736%0.362SS..THydrogen-bonded Turntrans50.655-174.9-59.1-178.54.600111.9L143 Q173 R174 G178 T179L143-Q176 HydrophobicContact CD1-CB 4.15Å; L143-Q176 HydrophobicContact CD1-CG 4.01Å; Q173-Q176 PolarHBondContact O-N 3.23Å; Q173-Q176 VanDerWaalsContact O-N 3.08Å; R174-Q176 PolarHBondContact O-N 3.39Å; Q176-G178 PolarHBondContact O-N 3.06Å; Q176-G178 VanDerWaalsContact O-N 3.11Å; Q176-T179 HydrophobicContact CB-CG2 4.34Å; Q176-T179 WeakPolarHBondContact CB-OG1 3.48Å; Q176-T179 PolarHBondContact O-N 2.99Å; Q176-T179 PolarHBondContact O-OG1 3.15Å
177L89.6Confident89.3Confident115 Ų11563.9 Ų63.960%0.60235%0.345SS*.G310 helixtrans-52.8-37.5-171.9-17762.6000113.4F175 T179 L180F175-L177 HydrophobicContact CD1-CB 3.89Å; F175-L177 HydrophobicContact CD1-CD1 3.94Å; F175-L177 HydrophobicContact CE1-CB 4.34Å; F175-L177 HydrophobicContact CE1-CD1 3.52Å; L177-T179 PolarHBondContact O-N 3.49Å; L177-T179 VanDerWaalsContact O-N 3.16Å; L177-L180 HydrophobicContact CD1-CD2 4.46Å; L177-L180 WeakPolarHBondContact O-CB 3.21Å; L177-L180 PolarHBondContact O-N 3.49Å
178G90.8Very high89.7Confident88 Ų8862.6 Ų62.691%0.90734%0.338SS*.G310 helixtrans-63.9-17.7178.600000115.1Q176Q176-G178 PolarHBondContact O-N 3.06Å; Q176-G178 VanDerWaalsContact O-N 3.11Å
179T89.4Confident90Very high87 Ų8764.3 Ų64.353%0.53435%0.345SS..G310 helixtrans-96.6-3.4176.368.20000112.8R147 Q176 L177R147-T179 PolarHBondContact NH2-OG1 3.03Å; Q176-T179 HydrophobicContact CB-CG2 4.34Å; Q176-T179 WeakPolarHBondContact CB-OG1 3.48Å; Q176-T179 PolarHBondContact O-N 2.99Å; Q176-T179 PolarHBondContact O-OG1 3.15Å; L177-T179 PolarHBondContact O-N 3.49Å; L177-T179 VanDerWaalsContact O-N 3.16Å
180L90.6Very high90.4Very high26 Ų2662.2 Ų62.214%0.13633%0.332CS..  trans-85.2119.8-175.4-171.170.7000110.3F175 L177 N184 F185 L188F175-L180 HydrophobicContact CE1-CB 4.37Å; F175-L180 HydrophobicContact CE1-CD2 3.39Å; F175-L180 HydrophobicContact CE1-CG 4.38Å; F175-L180 HydrophobicContact CZ-CD2 3.54Å; L177-L180 HydrophobicContact CD1-CD2 4.46Å; L177-L180 WeakPolarHBondContact O-CB 3.21Å; L177-L180 PolarHBondContact O-N 3.49Å; L180-N184 HydrophobicContact CD1-CB 3.4Å; L180-N184 VanDerWaalsContact CD1-CB 3.4Å; L180-N184 HydrophobicContact CG-CB 4.13Å; L180-F185 HydrophobicContact CD2-CB 3.62Å; L180-F185 HydrophobicContact CD2-CD2 3.65Å; L180-F185 HydrophobicContact CD2-CG 4.07Å; L180-F185 HydrophobicContact CG-CB 4.21Å; L180-L188 HydrophobicContact CD1-CD1 4.19Å; L180-L188 HydrophobicContact CD2-CD1 4.33Å
181S91.9Very high90.9Very high51 Ų5158.1 Ų58.136%0.35732%0.316SS..  trans-70.5155.9170.7830000111.5D183 N184 F185S181-D183 VanDerWaalsContact C-N 3.26Å; S181-D183 PolarHBondContact O-N 3.3Å; S181-N184 PolarHBondContact O-N 3.23Å; S181-N184 WeakPolarHBondContact OG-CB 3.35Å; S181-N184 PolarHBondContact OG-N 3.45Å; S181-N184 PolarHBondContact OG-OD1 3.49Å; S181-F185 PolarHBondContact O-N 2.73Å
182E93.7Very high91.3Very high135 Ų13558.8 Ų58.863%0.63132%0.321SS*.Hα-helixtrans-57.3-40.5175.5-167.1-169.8142.300111.9F185 K186E182-F185 WeakPolarHBondContact O-CB 3.34Å; E182-F185 PolarHBondContact O-N 2.73Å; E182-K186 WeakPolarHBondContact O-CG 3.47Å; E182-K186 PolarHBondContact O-N 2.93Å; E182-K186 WeakPolarHBondContact OE1-CE 3.5Å; E182-K186 IonicContact OE1-NZ 2.65Å; E182-K186 PolarHBondContact OE1-NZ 3.44Å
183D93.1Very high91.5Very high63 Ų6358.8 Ų58.834%0.33733%0.331SS..Hα-helixtrans-71.3-36.2-180-70.1-34.8000112.7S181 F185 K186 C187S181-D183 VanDerWaalsContact C-N 3.26Å; S181-D183 PolarHBondContact O-N 3.3Å; D183-F185 VanDerWaalsContact C-N 3.31Å; D183-F185 PolarHBondContact O-N 3.14Å; D183-K186 PolarHBondContact O-N 3.34Å; D183-K186 IonicContact OD1-NZ 3.37Å; D183-K186 PolarHBondContact OD1-NZ 3.24Å; D183-C187 WeakPolarHBondContact O-CB 3.42Å; D183-C187 PolarHBondContact O-N 2.91Å; D183-C187 PolarHBondContact O-SG 2.78Å
184N91Very high91.8Very high17 Ų1753.7 Ų53.79%0.09131%0.308CS..Hα-helixtrans-61.6-42.4170.7-79.2104.4000111.4L180 S181 C187 L188 P214L180-N184 HydrophobicContact CD1-CB 3.4Å; L180-N184 VanDerWaalsContact CD1-CB 3.4Å; L180-N184 HydrophobicContact CG-CB 4.13Å; S181-N184 PolarHBondContact O-N 3.23Å; S181-N184 WeakPolarHBondContact OG-CB 3.35Å; S181-N184 PolarHBondContact OG-N 3.45Å; S181-N184 PolarHBondContact OG-OD1 3.49Å; N184-C187 PolarHBondContact O-N 3.49Å; N184-L188 WeakPolarHBondContact O-CG 3.29Å; N184-L188 PolarHBondContact O-N 2.99Å; N184-P214 PolarHBondContact ND2-O 3.16Å; N184-P214 PolarHBondContact OD1-O 2.96Å
185F93.3Very high92Very high87 Ų8759.3 Ų59.338%0.38234%0.335SS..Hα-helixtrans-62.3-48.9176.6-174.6-113.2000111.1L151 L180 S181 E182 D183 C187 L188 I189L151-F185 HydrophobicContact CD2-CE2 4.5Å; L180-F185 HydrophobicContact CD2-CB 3.62Å; L180-F185 HydrophobicContact CD2-CD2 3.65Å; L180-F185 HydrophobicContact CD2-CG 4.07Å; L180-F185 HydrophobicContact CG-CB 4.21Å; S181-F185 PolarHBondContact O-N 2.73Å; E182-F185 WeakPolarHBondContact O-CB 3.34Å; E182-F185 PolarHBondContact O-N 2.73Å; D183-F185 VanDerWaalsContact C-N 3.31Å; D183-F185 PolarHBondContact O-N 3.14Å; F185-C187 VanDerWaalsContact C-N 3.27Å; F185-C187 PolarHBondContact O-N 3.04Å; F185-L188 WeakPolarHBondContact O-CB 3.1Å; F185-L188 PolarHBondContact O-N 3.38Å; F185-L188 VanDerWaalsContact O-N 3.11Å; F185-I189 HydrophobicContact CD1-CG1 4.2Å; F185-I189 HydrophobicContact CD2-CG1 4.42Å; F185-I189 HydrophobicContact CE1-CD1 4.28Å; F185-I189 HydrophobicContact CE1-CG1 3.85Å; F185-I189 HydrophobicContact CE2-CD1 4Å; F185-I189 HydrophobicContact CE2-CG1 4.1Å; F185-I189 HydrophobicContact CG-CG1 4.48Å; F185-I189 HydrophobicContact CZ-CD1 3.75Å; F185-I189 HydrophobicContact CZ-CG1 3.8Å; F185-I189 WeakPolarHBondContact O-CG1 3.47Å; F185-I189 PolarHBondContact O-N 3.03Å
186K95Very high91.8Very high77 Ų7761.6 Ų61.634%0.33535%0.352SS..Hα-helixtrans-54.4-42.9174.6-71.9169.5-173.9158.30112.1E182 D183 I189 F190E182-K186 WeakPolarHBondContact O-CG 3.47Å; E182-K186 PolarHBondContact O-N 2.93Å; E182-K186 WeakPolarHBondContact OE1-CE 3.5Å; E182-K186 IonicContact OE1-NZ 2.65Å; E182-K186 PolarHBondContact OE1-NZ 3.44Å; D183-K186 PolarHBondContact O-N 3.34Å; D183-K186 IonicContact OD1-NZ 3.37Å; D183-K186 PolarHBondContact OD1-NZ 3.24Å; K186-I189 PolarHBondContact O-N 2.84Å; K186-F190 WeakPolarHBondContact O-CB 3.27Å; K186-F190 PolarHBondContact O-N 3.28Å
187C95.1Very high91.3Very high0 Ų062.6 Ų62.60%036%0.36CS..Hα-helixtrans-64.8-41.4177.7-710000112.7D183 N184 F185 F190 V191 I210 V216 M217 I218 L221D183-C187 WeakPolarHBondContact O-CB 3.42Å; D183-C187 PolarHBondContact O-N 2.91Å; D183-C187 PolarHBondContact O-SG 2.78Å; N184-C187 PolarHBondContact O-N 3.49Å; F185-C187 VanDerWaalsContact C-N 3.27Å; F185-C187 PolarHBondContact O-N 3.04Å; C187-F190 PolarHBondContact O-N 3.4Å; C187-V191 WeakPolarHBondContact O-CG2 3.34Å; C187-V191 PolarHBondContact O-N 2.82Å; C187-V191 VanDerWaalsContact O-N 3.1Å; C187-I210 HydrophobicContact CB-CD1 4.06Å; C187-I210 HydrophobicContact CB-CG1 4.35Å; C187-V216 HydrophobicContact CB-CG1 4.46Å; C187-V216 PolarHBondContact SG-O 3.11Å; C187-M217 VanDerWaalsContact SG-C 3.51Å; C187-I218 PolarHBondContact SG-N 2.82Å; C187-I218 VanDerWaalsContact SG-N 3.37Å; C187-L221 HydrophobicContact CB-CD1 3.7Å
188L93.4Very high90.8Very high4 Ų462.9 Ų62.92%0.02136%0.363CS..Hα-helixtrans-62.5-48174.5-75.1168.8000111.2F144 R147 L151 F175 L180 N184 F185 F190 V191 C192F144-L188 HydrophobicContact CD2-CD2 4.14Å; F144-L188 HydrophobicContact CE2-CD2 3.69Å; R147-L188 HydrophobicContact CB-CD1 3.83Å; R147-L188 HydrophobicContact CB-CD2 4.47Å; L151-L188 HydrophobicContact CD1-CB 3.7Å; L151-L188 HydrophobicContact CD1-CD1 4.19Å; L151-L188 HydrophobicContact CD1-CG 4.38Å; F175-L188 HydrophobicContact CZ-CD1 4.31Å; L180-L188 HydrophobicContact CD1-CD1 4.19Å; L180-L188 HydrophobicContact CD2-CD1 4.33Å; N184-L188 WeakPolarHBondContact O-CG 3.29Å; N184-L188 PolarHBondContact O-N 2.99Å; F185-L188 WeakPolarHBondContact O-CB 3.1Å; F185-L188 PolarHBondContact O-N 3.38Å; F185-L188 VanDerWaalsContact O-N 3.11Å; L188-F190 VanDerWaalsContact C-N 3.32Å; L188-F190 PolarHBondContact O-N 3.37Å; L188-V191 PolarHBondContact O-N 3.42Å; L188-C192 WeakPolarHBondContact O-CB 3.35Å; L188-C192 PolarHBondContact O-N 2.94Å; L188-C192 PolarHBondContact O-SG 2.87Å; L188-C192 VanDerWaalsContact O-SG 3.4Å
189I95Very high90.7Very high83 Ų8361.2 Ų61.243%0.42633%0.333SS..Hα-helixtrans-59-44.5177-65-59.2000111.1F185 K186 V191 C192 G193F185-I189 HydrophobicContact CD1-CG1 4.2Å; F185-I189 HydrophobicContact CD2-CG1 4.42Å; F185-I189 HydrophobicContact CE1-CD1 4.28Å; F185-I189 HydrophobicContact CE1-CG1 3.85Å; F185-I189 HydrophobicContact CE2-CD1 4Å; F185-I189 HydrophobicContact CE2-CG1 4.1Å; F185-I189 HydrophobicContact CG-CG1 4.48Å; F185-I189 HydrophobicContact CZ-CD1 3.75Å; F185-I189 HydrophobicContact CZ-CG1 3.8Å; F185-I189 WeakPolarHBondContact O-CG1 3.47Å; F185-I189 PolarHBondContact O-N 3.03Å; K186-I189 PolarHBondContact O-N 2.84Å; I189-V191 VanDerWaalsContact C-N 3.34Å; I189-V191 PolarHBondContact O-N 3.44Å; I189-C192 PolarHBondContact O-N 3.05Å; I189-G193 PolarHBondContact O-N 3.26Å
190F95.8Very high90.4Very high52 Ų5257.8 Ų57.823%0.22831%0.313CS..Hα-helixtrans-55.8-48.2176.9-178-101000111.7K186 C187 L188 G193 L194 L206 I218 L221 V222K186-F190 WeakPolarHBondContact O-CB 3.27Å; K186-F190 PolarHBondContact O-N 3.28Å; C187-F190 PolarHBondContact O-N 3.4Å; L188-F190 VanDerWaalsContact C-N 3.32Å; L188-F190 PolarHBondContact O-N 3.37Å; F190-G193 PolarHBondContact O-N 3.48Å; F190-L194 HydrophobicContact CE1-CD1 4.47Å; F190-L206 HydrophobicContact CD1-CD1 4.14Å; F190-L206 HydrophobicContact CE1-CD1 3.71Å; F190-I218 HydrophobicContact CB-CD1 3.91Å; F190-I218 HydrophobicContact CB-CG1 4.09Å; F190-I218 HydrophobicContact CD2-CD1 3.81Å; F190-I218 HydrophobicContact CD2-CG1 3.94Å; F190-I218 HydrophobicContact CG-CD1 4.08Å; F190-I218 HydrophobicContact CG-CG1 3.98Å; F190-L221 HydrophobicContact CD1-CB 4.06Å; F190-L221 HydrophobicContact CD1-CD1 4.04Å; F190-L221 HydrophobicContact CE1-CB 3.96Å; F190-V222 HydrophobicContact CE2-CG2 3.84Å; F190-V222 HydrophobicContact CZ-CG2 3.79Å
191V93.9Very high90.1Very high0 Ų059.9 Ų59.90%034%0.335CS..Hα-helixtrans-73.5-35.4-179.5178.90000112.6Y148 C187 L188 I189 G193 L194 R203 L206 L207 I210 L221Y148-V191 HydrophobicContact CE2-CG1 4.39Å; C187-V191 WeakPolarHBondContact O-CG2 3.34Å; C187-V191 PolarHBondContact O-N 2.82Å; C187-V191 VanDerWaalsContact O-N 3.1Å; L188-V191 PolarHBondContact O-N 3.42Å; I189-V191 VanDerWaalsContact C-N 3.34Å; I189-V191 PolarHBondContact O-N 3.44Å; V191-G193 PolarHBondContact O-N 2.82Å; V191-L194 WeakPolarHBondContact O-CB 3.45Å; V191-L194 PolarHBondContact O-N 2.87Å; V191-L194 VanDerWaalsContact O-N 3.17Å; V191-R203 HydrophobicContact CG1-CG 3.85Å; V191-L206 HydrophobicContact CG2-CB 3.73Å; V191-L206 HydrophobicContact CG2-CD1 3.98Å; V191-L207 HydrophobicContact CG1-CD2 3.54Å; V191-L207 HydrophobicContact CG1-CG 3.82Å; V191-I210 HydrophobicContact CB-CD1 4.34Å; V191-I210 HydrophobicContact CG2-CD1 3.53Å; V191-L221 HydrophobicContact CG2-CD1 4.32Å
192C92.1Very high90Very high16 Ų1658.8 Ų58.811%0.10833%0.326CS..Hα-helixtrans-62.4-30172.9-78.20000112.5Y148 L188 I189 L194 Q195Y148-C192 VanDerWaalsContact CE2-SG 3.58Å; L188-C192 WeakPolarHBondContact O-CB 3.35Å; L188-C192 PolarHBondContact O-N 2.94Å; L188-C192 PolarHBondContact O-SG 2.87Å; L188-C192 VanDerWaalsContact O-SG 3.4Å; I189-C192 PolarHBondContact O-N 3.05Å; C192-L194 VanDerWaalsContact C-N 3.27Å; C192-L194 PolarHBondContact O-N 3.31Å; C192-Q195 WeakPolarHBondContact O-CG 3.43Å; C192-Q195 PolarHBondContact O-NE2 3.02Å
193G92.4Very high89.9Confident58 Ų5855.6 Ų55.660%0.59831%0.308SS*.THydrogen-bonded Turntrans-70.3-16.9174.800000114.7I189 F190 V191 Q195I189-G193 PolarHBondContact O-N 3.26Å; F190-G193 PolarHBondContact O-N 3.48Å; V191-G193 PolarHBondContact O-N 2.82Å; G193-Q195 PolarHBondContact O-N 3.22Å
194L91.7Very high89.7Confident27 Ų2757.7 Ų57.714%0.14132%0.318CS..  trans-8357.5-179.1-60.4-177.4000112.4F190 V191 C192 D199 V202 R203 L206F190-L194 HydrophobicContact CE1-CD1 4.47Å; V191-L194 WeakPolarHBondContact O-CB 3.45Å; V191-L194 PolarHBondContact O-N 2.87Å; V191-L194 VanDerWaalsContact O-N 3.17Å; C192-L194 VanDerWaalsContact C-N 3.27Å; C192-L194 PolarHBondContact O-N 3.31Å; L194-D199 HydrophobicContact CB-CB 3.9Å; L194-D199 HydrophobicContact CD2-CB 4.46Å; L194-V202 HydrophobicContact CD1-CG1 4.37Å; L194-R203 HydrophobicContact CB-CB 4.19Å; L194-R203 HydrophobicContact CD1-CB 4.42Å; L194-R203 VanDerWaalsContact O-CD 3.25Å; L194-R203 WeakPolarHBondContact O-CD 3.18Å; L194-R203 PolarHBondContact O-NE 3.41Å; L194-L206 HydrophobicContact CD1-CD1 3.64Å
195Q87.7Confident89.7Confident150 Ų15060.6 Ų60.670%0.70133%0.33SS*.  trans-82.3-17.6-173.3-60.7-174-17.200113.9C192 G193C192-Q195 WeakPolarHBondContact O-CG 3.43Å; C192-Q195 PolarHBondContact O-NE2 3.02Å; G193-Q195 PolarHBondContact O-N 3.22Å
196S85.4Confident89.7Confident57 Ų5756.5 Ų56.540%0.39931%0.312SS..SBendtrans-62.8144.7179.4-176.80000111.7N198 D199S196-N198 PolarHBondContact O-N 3.16Å; S196-N198 PolarHBondContact OG-N 3.36Å; S196-D199 WeakPolarHBondContact CB-OD2 3.26Å; S196-D199 PolarHBondContact O-N 3Å
197L76.7Confident89.5Confident121 Ų12154.1 Ų54.163%0.63430%0.303SS*.G310 helixtrans-58.2-32.9173.4-69173.5000111.8D199 A200L197-D199 PolarHBondContact O-N 3.48Å; L197-A200 WeakPolarHBondContact O-CB 3.22Å; L197-A200 PolarHBondContact O-N 3.45Å
198N79Confident89.3Confident122 Ų12258.4 Ų58.465%0.65233%0.326SS*.G310 helixtrans-63.8-22.7177-70.7-23000113.3S196S196-N198 PolarHBondContact O-N 3.16Å; S196-N198 PolarHBondContact OG-N 3.36Å
199D87.5Confident89.2Confident53 Ų5360.1 Ų60.128%0.28333%0.333SS..G310 helixtrans-96.5-4.2-179.1-59.8-43.7000112.7L194 S196 L197 A201 V202 R203L194-D199 HydrophobicContact CB-CB 3.9Å; L194-D199 HydrophobicContact CD2-CB 4.46Å; S196-D199 WeakPolarHBondContact CB-OD2 3.26Å; S196-D199 PolarHBondContact O-N 3Å; L197-D199 PolarHBondContact O-N 3.48Å; D199-A201 VanDerWaalsContact C-N 3.34Å; D199-A201 PolarHBondContact O-N 3.41Å; D199-V202 CarbonylContact O-C 3.59Å; D199-V202 PolarHBondContact O-N 3.14Å; D199-V202 VanDerWaalsContact O-N 3.08Å; D199-R203 VanDerWaalsContact O-CB 3.26Å; D199-R203 WeakPolarHBondContact O-CB 3.49Å; D199-R203 PolarHBondContact O-N 3Å
200A83.9Confident89.1Confident15 Ų1556.5 Ų56.512%0.12432%0.315CS..Hα-helixtrans-54.8-45.7-171.900000113.3L197 L204L197-A200 WeakPolarHBondContact O-CB 3.22Å; L197-A200 PolarHBondContact O-N 3.45Å; A200-L204 WeakPolarHBondContact O-CB 3.43Å; A200-L204 PolarHBondContact O-N 3.37Å
201A83.7Confident88.7Confident70 Ų7059.2 Ų59.258%0.57933%0.326SS*.Hα-helixtrans-66.8-41.4178.100000112.5D199 K205D199-A201 VanDerWaalsContact C-N 3.34Å; D199-A201 PolarHBondContact O-N 3.41Å; A201-K205 PolarHBondContact O-N 2.84Å; A201-K205 VanDerWaalsContact O-N 3.14Å
202V89.8Confident88.4Confident28 Ų2864 Ų6417%0.1736%0.356CS..Hα-helixtrans-65.6-49.8176.7172.90000109.7L194 D199 L204 K205 L206 C225 L228L194-V202 HydrophobicContact CD1-CG1 4.37Å; D199-V202 CarbonylContact O-C 3.59Å; D199-V202 PolarHBondContact O-N 3.14Å; D199-V202 VanDerWaalsContact O-N 3.08Å; V202-L204 VanDerWaalsContact C-N 3.33Å; V202-L204 PolarHBondContact O-N 3.01Å; V202-K205 PolarHBondContact O-N 3.31Å; V202-L206 HydrophobicContact CG1-CD1 4.04Å; V202-L206 HydrophobicContact CG1-CG 4.1Å; V202-L206 WeakPolarHBondContact O-CG 3.38Å; V202-L206 PolarHBondContact O-N 3.41Å; V202-C225 HydrophobicContact CG1-CB 4.48Å; V202-L228 HydrophobicContact CB-CD1 4.37Å; V202-L228 HydrophobicContact CG1-CD1 4.16Å; V202-L228 HydrophobicContact CG2-CB 4.4Å; V202-L228 HydrophobicContact CG2-CD1 3.95Å
203R91.8Very high88.4Confident68 Ų6865.9 Ų65.926%0.25736%0.363SS..Hα-helixtrans-51.6-49.6175.5172.6157.257.2101.10.9111.1V191 L194 D199 K205 L206 L207V191-R203 HydrophobicContact CG1-CG 3.85Å; L194-R203 HydrophobicContact CB-CB 4.19Å; L194-R203 HydrophobicContact CD1-CB 4.42Å; L194-R203 VanDerWaalsContact O-CD 3.25Å; L194-R203 WeakPolarHBondContact O-CD 3.18Å; L194-R203 PolarHBondContact O-NE 3.41Å; D199-R203 VanDerWaalsContact O-CB 3.26Å; D199-R203 WeakPolarHBondContact O-CB 3.49Å; D199-R203 PolarHBondContact O-N 3Å; R203-K205 VanDerWaalsContact C-N 3.34Å; R203-K205 PolarHBondContact O-N 2.87Å; R203-L206 PolarHBondContact O-N 3.22Å; R203-L207 HydrophobicContact CG-CD1 4.15Å; R203-L207 HydrophobicContact CG-CG 4.36Å; R203-L207 WeakPolarHBondContact O-CB 3.45Å; R203-L207 VanDerWaalsContact O-CG 3.26Å; R203-L207 WeakPolarHBondContact O-CG 3.24Å; R203-L207 PolarHBondContact O-N 3.38Å
204L89.3Confident87.9Confident107 Ų10767.1 Ų67.156%0.5636%0.36SS*.Hα-helixtrans-57.9-44.8176.9-17961.7000112.3A200 V202 L207 N208A200-L204 WeakPolarHBondContact O-CB 3.43Å; A200-L204 PolarHBondContact O-N 3.37Å; V202-L204 VanDerWaalsContact C-N 3.33Å; V202-L204 PolarHBondContact O-N 3.01Å; L204-L207 PolarHBondContact O-N 2.69Å; L204-N208 PolarHBondContact O-N 3.18Å; L204-N208 VanDerWaalsContact O-N 3.15Å
205K90.7Very high87.8Confident78 Ų7872.7 Ų72.734%0.33939%0.391SS..Hα-helixtrans-65.2-41.2177.7-175.3171.9162.9-158.30112.1A201 V202 R203 N208 K209 E224 L228A201-K205 PolarHBondContact O-N 2.84Å; A201-K205 VanDerWaalsContact O-N 3.14Å; V202-K205 PolarHBondContact O-N 3.31Å; R203-K205 VanDerWaalsContact C-N 3.34Å; R203-K205 PolarHBondContact O-N 2.87Å; K205-N208 PolarHBondContact O-N 3.33Å; K205-K209 PolarHBondContact O-N 3.41Å; K205-E224 WeakPolarHBondContact CE-OE2 3.25Å; K205-E224 IonicContact NZ-OE2 2.97Å; K205-E224 PolarHBondContact NZ-OE2 3.17Å; K205-L228 HydrophobicContact CB-CD1 4.49Å; K205-L228 HydrophobicContact CD-CD1 3.73Å; K205-L228 HydrophobicContact CD-CD2 3.81Å; K205-L228 HydrophobicContact CD-CG 4.22Å; K205-L228 HydrophobicContact CG-CD1 4.49Å
206L93.8Very high88Confident1 Ų165.7 Ų65.71%0.00536%0.358CS..Hα-helixtrans-67.5-38.4176.9-61.5-175.9000112.3F190 V191 L194 V202 R203 N208 K209 I210 L221 E224F190-L206 HydrophobicContact CD1-CD1 4.14Å; F190-L206 HydrophobicContact CE1-CD1 3.71Å; V191-L206 HydrophobicContact CG2-CB 3.73Å; V191-L206 HydrophobicContact CG2-CD1 3.98Å; L194-L206 HydrophobicContact CD1-CD1 3.64Å; V202-L206 HydrophobicContact CG1-CD1 4.04Å; V202-L206 HydrophobicContact CG1-CG 4.1Å; V202-L206 WeakPolarHBondContact O-CG 3.38Å; V202-L206 PolarHBondContact O-N 3.41Å; R203-L206 PolarHBondContact O-N 3.22Å; L206-N208 VanDerWaalsContact C-N 3.31Å; L206-N208 PolarHBondContact O-N 2.97Å; L206-K209 WeakPolarHBondContact O-CB 3.23Å; L206-K209 PolarHBondContact O-N 3.27Å; L206-K209 VanDerWaalsContact O-N 3.13Å; L206-I210 WeakPolarHBondContact O-CG1 3.3Å; L206-I210 PolarHBondContact O-N 2.99Å; L206-L221 HydrophobicContact CD2-CB 4.23Å; L206-L221 HydrophobicContact CD2-CD2 4.07Å; L206-E224 HydrophobicContact CD2-CB 3.92Å
207L91.1Very high88.4Confident26 Ų2668.2 Ų68.214%0.13637%0.365CS..Hα-helixtrans-57.3-47.4174.1-72.5172.3000110.5F144 Y148 V191 R203 L204 K209 I210 K211F144-L207 HydrophobicContact CE1-CB 4.09Å; F144-L207 HydrophobicContact CE1-CD2 3.89Å; F144-L207 WeakPolarHBondContact CE1-O 3.4Å; F144-L207 HydrophobicContact CZ-CB 4.08Å; F144-L207 HydrophobicContact CZ-CD2 3.46Å; F144-L207 VanDerWaalsContact CZ-CD2 3.46Å; F144-L207 HydrophobicContact CZ-CG 4.37Å; F144-L207 WeakPolarHBondContact CZ-O 3.35Å; Y148-L207 HydrophobicContact CD1-CD2 4.18Å; Y148-L207 HydrophobicContact CD2-CD2 3.71Å; Y148-L207 HydrophobicContact CE1-CD1 4.24Å; Y148-L207 HydrophobicContact CE1-CD2 4.1Å; Y148-L207 HydrophobicContact CE2-CD2 3.64Å; Y148-L207 HydrophobicContact CG-CD2 3.99Å; V191-L207 HydrophobicContact CG1-CD2 3.54Å; V191-L207 HydrophobicContact CG1-CG 3.82Å; R203-L207 HydrophobicContact CG-CD1 4.15Å; R203-L207 HydrophobicContact CG-CG 4.36Å; R203-L207 WeakPolarHBondContact O-CB 3.45Å; R203-L207 VanDerWaalsContact O-CG 3.26Å; R203-L207 WeakPolarHBondContact O-CG 3.24Å; R203-L207 PolarHBondContact O-N 3.38Å; L204-L207 PolarHBondContact O-N 2.69Å; L207-K209 VanDerWaalsContact C-N 3.32Å; L207-K209 PolarHBondContact O-N 2.87Å; L207-I210 PolarHBondContact O-N 2.73Å; L207-K211 WeakPolarHBondContact O-CB 3.41Å; L207-K211 PolarHBondContact O-N 3.04Å
208N90.2Very high89.3Confident90 Ų9065.5 Ų65.548%0.48135%0.35SS..Hα-helixtrans-61.2-41.2175.3-76.7-28.4000111.8L204 K205 L206 K211 T212L204-N208 PolarHBondContact O-N 3.18Å; L204-N208 VanDerWaalsContact O-N 3.15Å; K205-N208 PolarHBondContact O-N 3.33Å; L206-N208 VanDerWaalsContact C-N 3.31Å; L206-N208 PolarHBondContact O-N 2.97Å; N208-K211 WeakPolarHBondContact O-CB 3.42Å; N208-K211 PolarHBondContact O-N 2.86Å; N208-T212 WeakPolarHBondContact O-CG2 3.5Å; N208-T212 PolarHBondContact O-N 2.7Å; N208-T212 PolarHBondContact O-OG1 2.9Å
209K91.9Very high90.1Very high40 Ų4063.1 Ų63.117%0.17435%0.347CS..Hα-helixtrans-58.5-50.2177.1-164.487.7176.2-1800112K205 L206 L207 K211 T212 E213 L221 E224K205-K209 PolarHBondContact O-N 3.41Å; L206-K209 WeakPolarHBondContact O-CB 3.23Å; L206-K209 PolarHBondContact O-N 3.27Å; L206-K209 VanDerWaalsContact O-N 3.13Å; L207-K209 VanDerWaalsContact C-N 3.32Å; L207-K209 PolarHBondContact O-N 2.87Å; K209-K211 VanDerWaalsContact C-N 3.31Å; K209-K211 PolarHBondContact O-N 2.77Å; K209-T212 PolarHBondContact O-N 3Å; K209-T212 PolarHBondContact O-OG1 3.19Å; K209-E213 WeakPolarHBondContact CE-OE1 3.43Å; K209-E213 IonicContact NZ-OE1 2.74Å; K209-E213 PolarHBondContact NZ-OE1 3.13Å; K209-E213 WeakPolarHBondContact O-CB 3.33Å; K209-E213 PolarHBondContact O-N 3.03Å; K209-L221 HydrophobicContact CB-CD2 4.41Å; K209-L221 HydrophobicContact CG-CD2 4.2Å; K209-E224 WeakPolarHBondContact CE-OE1 3.35Å; K209-E224 IonicContact NZ-OE1 2.73Å; K209-E224 PolarHBondContact NZ-OE1 3.36Å
210I91.6Very high90.5Very high8 Ų865 Ų654%0.04135%0.353CS..Hα-helixtrans-64.8-38.4179.5-59.4165.1000110.7F144 C187 V191 L206 L207 T212 E213 V216 L221F144-I210 HydrophobicContact CD2-CB 4.07Å; F144-I210 HydrophobicContact CD2-CG2 3.51Å; F144-I210 HydrophobicContact CE2-CB 3.49Å; F144-I210 VanDerWaalsContact CE2-CB 3.49Å; F144-I210 HydrophobicContact CE2-CD1 4.13Å; F144-I210 HydrophobicContact CE2-CG1 4.42Å; F144-I210 HydrophobicContact CE2-CG2 3.29Å; F144-I210 HydrophobicContact CZ-CB 4.04Å; F144-I210 HydrophobicContact CZ-CD1 4.5Å; F144-I210 HydrophobicContact CZ-CG2 4.31Å; C187-I210 HydrophobicContact CB-CD1 4.06Å; C187-I210 HydrophobicContact CB-CG1 4.35Å; V191-I210 HydrophobicContact CB-CD1 4.34Å; V191-I210 HydrophobicContact CG2-CD1 3.53Å; L206-I210 WeakPolarHBondContact O-CG1 3.3Å; L206-I210 PolarHBondContact O-N 2.99Å; L207-I210 PolarHBondContact O-N 2.73Å; I210-T212 VanDerWaalsContact C-N 3.32Å; I210-T212 PolarHBondContact O-N 3.46Å; I210-E213 CarbonylContact O-C 3.38Å; I210-V216 HydrophobicContact CB-CG1 4.18Å; I210-V216 HydrophobicContact CG1-CG1 3.8Å; I210-V216 HydrophobicContact CG2-CG1 4.19Å; I210-L221 HydrophobicContact CD1-CD1 4Å; I210-L221 HydrophobicContact CG1-CD1 4.13Å; I210-L221 HydrophobicContact CG1-CD2 4.17Å
211K87.7Confident91Very high108 Ų10864.3 Ų64.347%0.4735%0.347SS..Hα-helixtrans-61.3-40.1175.3-173.1-177.6177.6-173.30112.2F144 L207 N208 K209F144-K211 HydrophobicContact CB-CB 4.48Å; F144-K211 HydrophobicContact CB-CG 4.46Å; F144-K211 HydrophobicContact CD1-CB 3.83Å; F144-K211 HydrophobicContact CD1-CG 4.25Å; F144-K211 HydrophobicContact CE1-CB 4.29Å; F144-K211 HydrophobicContact CG-CB 4.14Å; L207-K211 WeakPolarHBondContact O-CB 3.41Å; L207-K211 PolarHBondContact O-N 3.04Å; N208-K211 WeakPolarHBondContact O-CB 3.42Å; N208-K211 PolarHBondContact O-N 2.86Å; K209-K211 VanDerWaalsContact C-N 3.31Å; K209-K211 PolarHBondContact O-N 2.77Å
212T89.1Confident91.6Very high102 Ų10263.7 Ų63.763%0.62634%0.336SS*.Hα-helixtrans-85.1-24.7-177.853.40000114.3N208 K209 I210N208-T212 WeakPolarHBondContact O-CG2 3.5Å; N208-T212 PolarHBondContact O-N 2.7Å; N208-T212 PolarHBondContact O-OG1 2.9Å; K209-T212 PolarHBondContact O-N 3Å; K209-T212 PolarHBondContact O-OG1 3.19Å; I210-T212 VanDerWaalsContact C-N 3.32Å; I210-T212 PolarHBondContact O-N 3.46Å
213E90.4Very high91.8Very high54 Ų5464.1 Ų64.125%0.25235%0.346SS..  trans-123.788.8-176.4-63.5-177.1-162.100110.2K209 I210 N215 V216 K220K209-E213 WeakPolarHBondContact CE-OE1 3.43Å; K209-E213 IonicContact NZ-OE1 2.74Å; K209-E213 PolarHBondContact NZ-OE1 3.13Å; K209-E213 WeakPolarHBondContact O-CB 3.33Å; K209-E213 PolarHBondContact O-N 3.03Å; I210-E213 CarbonylContact O-C 3.38Å; E213-N215 PolarHBondContact O-N 3.3Å; E213-N215 VanDerWaalsContact O-N 3.11Å; E213-V216 HydrophobicContact CB-CB 4.15Å; E213-V216 WeakPolarHBondContact O-CB 3.4Å; E213-V216 WeakPolarHBondContact O-CG1 3.47Å; E213-V216 PolarHBondContact O-N 2.73Å; E213-V216 VanDerWaalsContact O-N 3.12Å; E213-K220 VanDerWaalsContact CD-NZ 3.26Å; E213-K220 IonicContact OE1-NZ 2.87Å; E213-K220 PolarHBondContact OE1-NZ 3.19Å; E213-K220 VanDerWaalsContact OE1-NZ 3.14Å; E213-K220 WeakPolarHBondContact OE2-CE 3.45Å; E213-K220 IonicContact OE2-NZ 3.33Å; E213-K220 PolarHBondContact OE2-NZ 2.88Å
214P82.9Confident91.8Very high84 Ų8462.6 Ų62.655%0.54534%0.342SS..THydrogen-bonded Turntrans-59.8-26-175.3-26.234.6000114.4N184N184-P214 PolarHBondContact ND2-O 3.16Å; N184-P214 PolarHBondContact OD1-O 2.96Å
215N88.7Confident91.9Very high145 Ų14558.6 Ų58.678%0.77532%0.323SS*.THydrogen-bonded Turntrans-103.726.5-179.3-60.3-29.5000112.6E213E213-N215 PolarHBondContact O-N 3.3Å; E213-N215 VanDerWaalsContact O-N 3.11Å
216V92.4Very high91.7Very high3 Ų357.6 Ų57.62%0.01832%0.321CS..  trans-65.5138.5177.567.30000110.8C187 I210 E213 K220 L221C187-V216 HydrophobicContact CB-CG1 4.46Å; C187-V216 PolarHBondContact SG-O 3.11Å; I210-V216 HydrophobicContact CB-CG1 4.18Å; I210-V216 HydrophobicContact CG1-CG1 3.8Å; I210-V216 HydrophobicContact CG2-CG1 4.19Å; E213-V216 HydrophobicContact CB-CB 4.15Å; E213-V216 WeakPolarHBondContact O-CB 3.4Å; E213-V216 WeakPolarHBondContact O-CG1 3.47Å; E213-V216 PolarHBondContact O-N 2.73Å; E213-V216 VanDerWaalsContact O-N 3.12Å; V216-K220 HydrophobicContact CG2-CB 4.09Å; V216-K220 HydrophobicContact CG2-CD 4.17Å; V216-K220 HydrophobicContact CG2-CG 4.4Å; V216-L221 HydrophobicContact CG1-CD2 4.46Å; V216-L221 HydrophobicContact CG2-CD2 3.66Å; V216-L221 HydrophobicContact CG2-CG 4.06Å
217M94.6Very high91.3Very high109 Ų10962.4 Ų62.454%0.53734%0.343SS..  trans-103.1153.4174.8-65.2-179.2-74.300110.7C187 A219 K220 L221C187-M217 VanDerWaalsContact SG-C 3.51Å; M217-A219 PolarHBondContact O-N 3.11Å; M217-A219 VanDerWaalsContact O-N 3.14Å; M217-K220 WeakPolarHBondContact O-CB 3.25Å; M217-K220 PolarHBondContact O-N 3.39Å; M217-L221 PolarHBondContact O-N 2.64Å
218I95.5Very high90.9Very high64 Ų6462.9 Ų62.933%0.32835%0.346SS..Hα-helixtrans-55.2-36.1179.7-164.2170.2000112.5C187 F190 K220 L221 V222C187-I218 PolarHBondContact SG-N 2.82Å; C187-I218 VanDerWaalsContact SG-N 3.37Å; F190-I218 HydrophobicContact CB-CD1 3.91Å; F190-I218 HydrophobicContact CB-CG1 4.09Å; F190-I218 HydrophobicContact CD2-CD1 3.81Å; F190-I218 HydrophobicContact CD2-CG1 3.94Å; F190-I218 HydrophobicContact CG-CD1 4.08Å; F190-I218 HydrophobicContact CG-CG1 3.98Å; I218-K220 VanDerWaalsContact C-N 3.27Å; I218-K220 PolarHBondContact O-N 2.95Å; I218-L221 WeakPolarHBondContact O-CB 3.38Å; I218-L221 PolarHBondContact O-N 2.79Å; I218-L221 VanDerWaalsContact O-N 3.09Å; I218-V222 HydrophobicContact CG1-CG2 4.46Å; I218-V222 WeakPolarHBondContact O-CG2 3.04Å; I218-V222 PolarHBondContact O-N 3.11Å
219A95.4Very high90.3Very high72 Ų7265.9 Ų65.960%0.59535%0.351SS*.Hα-helixtrans-57.9-38.7177.100000112.5M217 G223M217-A219 PolarHBondContact O-N 3.11Å; M217-A219 VanDerWaalsContact O-N 3.14Å; A219-G223 PolarHBondContact O-N 3.26Å
220K95.3Very high89.4Confident94 Ų9469.9 Ų69.941%0.40937%0.374SS..Hα-helixtrans-69.5-39.7176.8-169.3172.5-175.1-176.60111.2E213 V216 M217 I218 G223 E224E213-K220 VanDerWaalsContact CD-NZ 3.26Å; E213-K220 IonicContact OE1-NZ 2.87Å; E213-K220 PolarHBondContact OE1-NZ 3.19Å; E213-K220 VanDerWaalsContact OE1-NZ 3.14Å; E213-K220 WeakPolarHBondContact OE2-CE 3.45Å; E213-K220 IonicContact OE2-NZ 3.33Å; E213-K220 PolarHBondContact OE2-NZ 2.88Å; V216-K220 HydrophobicContact CG2-CB 4.09Å; V216-K220 HydrophobicContact CG2-CD 4.17Å; V216-K220 HydrophobicContact CG2-CG 4.4Å; M217-K220 WeakPolarHBondContact O-CB 3.25Å; M217-K220 PolarHBondContact O-N 3.39Å; I218-K220 VanDerWaalsContact C-N 3.27Å; I218-K220 PolarHBondContact O-N 2.95Å; K220-G223 PolarHBondContact O-N 3.04Å; K220-E224 WeakPolarHBondContact O-CG 3.28Å; K220-E224 PolarHBondContact O-N 2.87Å
221L95.9Very high88.4Confident0 Ų073.9 Ų73.90%040%0.395CS..Hα-helixtrans-63.8-43.8175.7-57.5-176000111.6C187 F190 V191 L206 K209 I210 V216 M217 I218 G223 E224 C225C187-L221 HydrophobicContact CB-CD1 3.7Å; F190-L221 HydrophobicContact CD1-CB 4.06Å; F190-L221 HydrophobicContact CD1-CD1 4.04Å; F190-L221 HydrophobicContact CE1-CB 3.96Å; V191-L221 HydrophobicContact CG2-CD1 4.32Å; L206-L221 HydrophobicContact CD2-CB 4.23Å; L206-L221 HydrophobicContact CD2-CD2 4.07Å; K209-L221 HydrophobicContact CB-CD2 4.41Å; K209-L221 HydrophobicContact CG-CD2 4.2Å; I210-L221 HydrophobicContact CD1-CD1 4Å; I210-L221 HydrophobicContact CG1-CD1 4.13Å; I210-L221 HydrophobicContact CG1-CD2 4.17Å; V216-L221 HydrophobicContact CG1-CD2 4.46Å; V216-L221 HydrophobicContact CG2-CD2 3.66Å; V216-L221 HydrophobicContact CG2-CG 4.06Å; M217-L221 PolarHBondContact O-N 2.64Å; I218-L221 WeakPolarHBondContact O-CB 3.38Å; I218-L221 PolarHBondContact O-N 2.79Å; I218-L221 VanDerWaalsContact O-N 3.09Å; L221-G223 VanDerWaalsContact C-N 3.31Å; L221-G223 PolarHBondContact O-N 3.46Å; L221-E224 WeakPolarHBondContact O-CB 3.47Å; L221-E224 PolarHBondContact O-N 3.17Å; L221-E224 VanDerWaalsContact O-N 3.16Å; L221-C225 PolarHBondContact O-N 2.89Å; L221-C225 PolarHBondContact O-SG 3.04Å
222V95.6Very high87.7Confident57 Ų5773.2 Ų73.235%0.34539%0.392SS..Hα-helixtrans-60.9-42.1174.3172.80000110.9F190 I218 E224 C225 N226F190-V222 HydrophobicContact CE2-CG2 3.84Å; F190-V222 HydrophobicContact CZ-CG2 3.79Å; I218-V222 HydrophobicContact CG1-CG2 4.46Å; I218-V222 WeakPolarHBondContact O-CG2 3.04Å; I218-V222 PolarHBondContact O-N 3.11Å; V222-E224 VanDerWaalsContact C-N 3.33Å; V222-E224 PolarHBondContact O-N 2.82Å; V222-C225 WeakPolarHBondContact O-CB 3.24Å; V222-C225 PolarHBondContact O-N 3.39Å; V222-N226 PolarHBondContact O-N 2.91Å; V222-N226 PolarHBondContact O-ND2 3.03Å
223G94.2Very high86.9Confident37 Ų3776.9 Ų76.938%0.38139%0.394SS..Hα-helixtrans-56.5-45.1172.700000112.6A219 K220 L221 N226 H227A219-G223 PolarHBondContact O-N 3.26Å; K220-G223 PolarHBondContact O-N 3.04Å; L221-G223 VanDerWaalsContact C-N 3.31Å; L221-G223 PolarHBondContact O-N 3.46Å; G223-N226 PolarHBondContact O-N 3.04Å; G223-H227 WeakPolarHBondContact O-CB 3.48Å; G223-H227 PolarHBondContact O-N 2.93Å
224E91.8Very high86.5Confident35 Ų3579.6 Ų79.616%0.16441%0.407CS..Hα-helixtrans-63.9-41.9175.3-71.8-77.317900112.4K205 L206 K209 K220 L221 V222 N226 H227 L228K205-E224 WeakPolarHBondContact CE-OE2 3.25Å; K205-E224 IonicContact NZ-OE2 2.97Å; K205-E224 PolarHBondContact NZ-OE2 3.17Å; L206-E224 HydrophobicContact CD2-CB 3.92Å; K209-E224 WeakPolarHBondContact CE-OE1 3.35Å; K209-E224 IonicContact NZ-OE1 2.73Å; K209-E224 PolarHBondContact NZ-OE1 3.36Å; K220-E224 WeakPolarHBondContact O-CG 3.28Å; K220-E224 PolarHBondContact O-N 2.87Å; L221-E224 WeakPolarHBondContact O-CB 3.47Å; L221-E224 PolarHBondContact O-N 3.17Å; L221-E224 VanDerWaalsContact O-N 3.16Å; V222-E224 VanDerWaalsContact C-N 3.33Å; V222-E224 PolarHBondContact O-N 2.82Å; E224-N226 PolarHBondContact O-N 2.7Å; E224-H227 PolarHBondContact O-N 3.04Å; E224-L228 WeakPolarHBondContact O-CB 3.4Å; E224-L228 VanDerWaalsContact O-CG 3.25Å; E224-L228 WeakPolarHBondContact O-CG 3.23Å; E224-L228 PolarHBondContact O-N 3.31Å
225C90.6Very high86.6Confident24 Ų2478.4 Ų78.416%0.16240%0.395CS..Hα-helixtrans-58.6-47.5174.5-66.40000111.6V202 L221 V222 L228 R229V202-C225 HydrophobicContact CG1-CB 4.48Å; L221-C225 PolarHBondContact O-N 2.89Å; L221-C225 PolarHBondContact O-SG 3.04Å; V222-C225 WeakPolarHBondContact O-CB 3.24Å; V222-C225 PolarHBondContact O-N 3.39Å; C225-L228 PolarHBondContact O-N 3.41Å; C225-R229 WeakPolarHBondContact O-CB 3.34Å; C225-R229 PolarHBondContact O-N 3.41Å
226N87.3Confident86.6Confident56 Ų5674.7 Ų74.730%0.29938%0.38SS..Hα-helixtrans-64.3-42.5178.8-72.5-37.9000111.3V222 G223 E224 L228 R229 N230V222-N226 PolarHBondContact O-N 2.91Å; V222-N226 PolarHBondContact O-ND2 3.03Å; G223-N226 PolarHBondContact O-N 3.04Å; E224-N226 PolarHBondContact O-N 2.7Å; N226-L228 PolarHBondContact O-N 2.84Å; N226-R229 PolarHBondContact O-N 3.19Å; N226-R229 PolarHBondContact OD1-NH1 3.47Å; N226-R229 PolarHBondContact OD1-NH2 3Å; N226-N230 WeakPolarHBondContact O-CB 3.06Å; N226-N230 PolarHBondContact O-N 3.41Å; N226-N230 PolarHBondContact O-ND2 3.06Å; N226-N230 PolarHBondContact O-OD1 3.46Å
227H85.6Confident86.6Confident102 Ų10275.3 Ų75.347%0.47238%0.384SS..Hα-helixtrans-59.9-46.6175.9-17870000111.6G223 E224 R229 N230 L231G223-H227 WeakPolarHBondContact O-CB 3.48Å; G223-H227 PolarHBondContact O-N 2.93Å; E224-H227 PolarHBondContact O-N 3.04Å; H227-R229 PolarHBondContact O-N 2.69Å; H227-N230 PolarHBondContact O-N 3.43Å; H227-L231 WeakPolarHBondContact O-CG 3.26Å; H227-L231 PolarHBondContact O-N 2.79Å
228L82.3Confident86.5Confident37 Ų3773.1 Ų73.119%0.19438%0.375CS..Hα-helixtrans-62.6-40.5176.6-72.6167.7000112.8V202 K205 E224 C225 N226 N230 L231 K232V202-L228 HydrophobicContact CB-CD1 4.37Å; V202-L228 HydrophobicContact CG1-CD1 4.16Å; V202-L228 HydrophobicContact CG2-CB 4.4Å; V202-L228 HydrophobicContact CG2-CD1 3.95Å; K205-L228 HydrophobicContact CB-CD1 4.49Å; K205-L228 HydrophobicContact CD-CD1 3.73Å; K205-L228 HydrophobicContact CD-CD2 3.81Å; K205-L228 HydrophobicContact CD-CG 4.22Å; K205-L228 HydrophobicContact CG-CD1 4.49Å; E224-L228 WeakPolarHBondContact O-CB 3.4Å; E224-L228 VanDerWaalsContact O-CG 3.25Å; E224-L228 WeakPolarHBondContact O-CG 3.23Å; E224-L228 PolarHBondContact O-N 3.31Å; C225-L228 PolarHBondContact O-N 3.41Å; N226-L228 PolarHBondContact O-N 2.84Å; L228-N230 VanDerWaalsContact C-N 3.31Å; L228-N230 PolarHBondContact O-N 3.35Å; L228-L231 HydrophobicContact CD2-CD1 4.42Å; L228-L231 WeakPolarHBondContact O-CB 3.4Å; L228-L231 PolarHBondContact O-N 3.35Å; L228-K232 PolarHBondContact O-N 3.18Å
229R76.7Confident86.4Confident153 Ų15370 Ų7058%0.57736%0.359SS*.Hα-helixtrans-64.2-39175.6-171.1178.165.1-135-8.2111.4C225 N226 H227 L231 K232C225-R229 WeakPolarHBondContact O-CB 3.34Å; C225-R229 PolarHBondContact O-N 3.41Å; N226-R229 PolarHBondContact O-N 3.19Å; N226-R229 PolarHBondContact OD1-NH1 3.47Å; N226-R229 PolarHBondContact OD1-NH2 3Å; H227-R229 PolarHBondContact O-N 2.69Å; R229-L231 VanDerWaalsContact C-N 3.28Å; R229-L231 PolarHBondContact O-N 3.19Å; R229-K232 WeakPolarHBondContact O-CB 3.27Å; R229-K232 PolarHBondContact O-N 3.44Å
230N73.6Confident86Confident123 Ų12371.5 Ų71.566%0.65835%0.353SS*.Hα-helixtrans-72.3-23.8177.4-64.8-15000112.5N226 H227 L228 K232N226-N230 WeakPolarHBondContact O-CB 3.06Å; N226-N230 PolarHBondContact O-N 3.41Å; N226-N230 PolarHBondContact O-ND2 3.06Å; N226-N230 PolarHBondContact O-OD1 3.46Å; H227-N230 PolarHBondContact O-N 3.43Å; L228-N230 VanDerWaalsContact C-N 3.31Å; L228-N230 PolarHBondContact O-N 3.35Å; N230-K232 VanDerWaalsContact C-N 3.34Å
231L71.6Confident85.6Confident93 Ų9376.4 Ų76.449%0.48738%0.375SS..Hα-helixtrans-74.5-21.7171.4-73.6171.9000113.1H227 L228 R229 R233H227-L231 WeakPolarHBondContact O-CG 3.26Å; H227-L231 PolarHBondContact O-N 2.79Å; L228-L231 HydrophobicContact CD2-CD1 4.42Å; L228-L231 WeakPolarHBondContact O-CB 3.4Å; L228-L231 PolarHBondContact O-N 3.35Å; R229-L231 VanDerWaalsContact C-N 3.28Å; R229-L231 PolarHBondContact O-N 3.19Å; L231-R233 VanDerWaalsContact C-N 3.3Å; L231-R233 PolarHBondContact O-N 2.9Å
232K72.6Confident85.4Confident94 Ų9480.7 Ų80.741%0.40939%0.394SS..SBendtrans-65.194.7169.4-71.3-174.5171.8-171.60108.4L228 R229 N230 H234 Q247L228-K232 PolarHBondContact O-N 3.18Å; R229-K232 WeakPolarHBondContact O-CB 3.27Å; R229-K232 PolarHBondContact O-N 3.44Å; N230-K232 VanDerWaalsContact C-N 3.34Å; K232-H234 PolarHBondContact O-CE1 3.23Å; K232-H234 PolarHBondContact O-N 2.82Å; K232-H234 PolarHBondContact O-ND1 3.37Å; K232-Q247 HydrophobicContact CB-CG 4.48Å
233R72.1Confident85.2Confident179 Ų17981.4 Ų81.468%0.67541%0.405SS*.  trans-72.1131.5179.9-66.2-176.9-180174.8-0.2108.6L231 I248L231-R233 VanDerWaalsContact C-N 3.3Å; L231-R233 PolarHBondContact O-N 2.9Å; R233-I248 HydrophobicContact CB-CB 4.37Å; R233-I248 HydrophobicContact CB-CD1 3.73Å; R233-I248 HydrophobicContact CB-CG1 4.31Å; R233-I248 PolarHBondContact O-N 3.24Å
234H82.1Confident85.1Confident111 Ų11180 Ų8051%0.51439%0.39SS..EExtended strand (participates in β ladder)trans-108.5139.6170.7-65.179.9000108.4K232 T245 F246K232-H234 PolarHBondContact O-CE1 3.23Å; K232-H234 PolarHBondContact O-N 2.82Å; K232-H234 PolarHBondContact O-ND1 3.37Å; H234-T245 HydrophobicContact CB-CG2 3.73Å; H234-F246 CarbonylContact C-O 3.6Å; H234-F246 WeakPolarHBondContact CA-O 3.42Å
235I84.4Confident85Confident59 Ų5982.7 Ų82.730%0.30341%0.408SS..EExtended strand (participates in β ladder)trans-122.2138.5174.153.9170.9000109.1V237 T245 F246 I248 F298I235-V237 HydrophobicContact CD1-CG2 3.68Å; I235-V237 HydrophobicContact CG1-CG2 3.92Å; I235-T245 CarbonylContact O-C 3.45Å; I235-T245 WeakPolarHBondContact O-CA 3.42Å; I235-F246 HydrophobicContact CG1-CB 4.19Å; I235-F246 PolarHBondContact N-O 2.88Å; I235-F246 PolarHBondContact O-N 2.73Å; I235-I248 HydrophobicContact CB-CD1 4.4Å; I235-I248 HydrophobicContact CB-CG1 4.38Å; I235-I248 HydrophobicContact CD1-CD1 4.34Å; I235-I248 HydrophobicContact CD1-CG1 3.93Å; I235-I248 HydrophobicContact CG1-CD1 4.27Å; I235-I248 HydrophobicContact CG1-CG1 3.77Å; I235-I248 HydrophobicContact CG2-CD1 3.37Å; I235-I248 HydrophobicContact CG2-CG1 3.84Å; I235-F298 HydrophobicContact CB-CE2 4.42Å
236S89.7Confident84.9Confident66 Ų6683 Ų8346%0.46241%0.407SS..EExtended strand (participates in β ladder)trans-87.2115.2170.1-1660000108.3F298S236-F298 VanDerWaalsContact O-CD2 3.31Å; S236-F298 WeakPolarHBondContact O-CD2 3.49Å
237V91.1Very high84.7Confident17 Ų1784.6 Ų84.610%0.10341%0.413CS..EExtended strand (participates in β ladder)trans-115.6135.6177.1-1790000107.6I235 V244 F246 Y296 F298I235-V237 HydrophobicContact CD1-CG2 3.68Å; I235-V237 HydrophobicContact CG1-CG2 3.92Å; V237-V244 PolarHBondContact N-O 2.91Å; V237-V244 PolarHBondContact O-N 3.44Å; V237-V244 VanDerWaalsContact O-O 3.06Å; V237-F246 HydrophobicContact CB-CD2 3.86Å; V237-F246 HydrophobicContact CB-CE2 4.11Å; V237-F246 HydrophobicContact CG2-CD2 4.1Å; V237-Y296 HydrophobicContact CG1-CD1 4.18Å; V237-F298 HydrophobicContact CG2-CD2 4.37Å
238N93.1Very high84.5Confident62 Ų6283.3 Ų83.333%0.33241%0.408SS..EExtended strand (participates in β ladder)trans-83.7122.4175.5-71.4-35000109.7K242 A243 Y296 S297N238-K242 CarbonylContact C-O 3.58Å; N238-K242 VanDerWaalsContact CA-O 3.31Å; N238-K242 WeakPolarHBondContact CA-O 3.36Å; N238-A243 VanDerWaalsContact OD1-CA 3.24Å; N238-A243 WeakPolarHBondContact OD1-CA 3.18Å; N238-A243 WeakPolarHBondContact OD1-CB 2.86Å; N238-A243 PolarHBondContact OD1-N 3.37Å; N238-Y296 CarbonylContact O-C 3.58Å; N238-Y296 VanDerWaalsContact O-CA 3.32Å; N238-Y296 WeakPolarHBondContact O-CA 3.37Å; N238-S297 VanDerWaalsContact CB-OG 3.25Å; N238-S297 WeakPolarHBondContact CB-OG 3.47Å; N238-S297 PolarHBondContact N-O 3.42Å; N238-S297 PolarHBondContact O-N 2.94Å
239I92.5Very high84.3Confident0 Ų085.4 Ų85.40%042%0.42CS..EExtended strand (participates in β ladder)trans-107.7121.3169.5-49.7178.3000107.6K241 K242 V244 F246 I257 L265 C294 A295 Y296I239-K241 PolarHBondContact O-N 2.93Å; I239-K241 VanDerWaalsContact O-N 3.15Å; I239-K242 PolarHBondContact N-O 2.91Å; I239-K242 PolarHBondContact O-N 2.89Å; I239-V244 HydrophobicContact CB-CG2 4.45Å; I239-V244 HydrophobicContact CD1-CB 4.09Å; I239-V244 HydrophobicContact CD1-CG1 4.31Å; I239-V244 HydrophobicContact CD1-CG2 3.92Å; I239-V244 HydrophobicContact CG1-CB 4.3Å; I239-V244 HydrophobicContact CG1-CG2 4.12Å; I239-F246 HydrophobicContact CD1-CE2 3.6Å; I239-F246 HydrophobicContact CD1-CZ 3.46Å; I239-F246 VanDerWaalsContact CD1-CZ 3.46Å; I239-F246 HydrophobicContact CG1-CE2 4.01Å; I239-F246 HydrophobicContact CG1-CZ 4.29Å; I239-I257 HydrophobicContact CD1-CG2 4.33Å; I239-L265 HydrophobicContact CB-CD1 4.19Å; I239-L265 HydrophobicContact CB-CD2 4.09Å; I239-L265 HydrophobicContact CD1-CD1 4.04Å; I239-L265 HydrophobicContact CG2-CD1 3.98Å; I239-C294 HydrophobicContact CG2-CB 3.77Å; I239-A295 WeakPolarHBondContact CA-O 3.42Å; I239-Y296 HydrophobicContact CD1-CD1 4.47Å; I239-Y296 HydrophobicContact CD1-CE1 4.08Å; I239-Y296 HydrophobicContact CG1-CD1 3.94Å; I239-Y296 HydrophobicContact CG1-CE1 4.03Å
240E88.9Confident84.2Confident102 Ų10285 Ų8548%0.47744%0.435SS..THydrogen-bonded Turntrans49.443.2-177.8-62.4-56.9147.900112.5K242 C294 A295E240-K242 PolarHBondContact O-N 3.46Å; E240-C294 HydrophobicContact CG-CB 4.02Å; E240-C294 WeakPolarHBondContact OE1-CA 3.4Å; E240-C294 WeakPolarHBondContact OE1-CB 3.47Å; E240-A295 PolarHBondContact N-O 3.43Å; E240-A295 PolarHBondContact OE1-N 2.97Å
241K85.9Confident84.5Confident197 Ų19782.1 Ų82.186%0.85743%0.433SS*.THydrogen-bonded Turntrans66.710.8-178.3-50174.4-179.3175.80115.6I239I239-K241 PolarHBondContact O-N 2.93Å; I239-K241 VanDerWaalsContact O-N 3.15Å
242K91.2Very high85.1Confident91 Ų9181 Ų8140%0.39643%0.433SS..EExtended strand (participates in β ladder)trans-107.4128.3173-69.3174.2175.3176.90110.2N238 I239 E240 V244 Q264 L265N238-K242 CarbonylContact C-O 3.58Å; N238-K242 VanDerWaalsContact CA-O 3.31Å; N238-K242 WeakPolarHBondContact CA-O 3.36Å; I239-K242 PolarHBondContact N-O 2.91Å; I239-K242 PolarHBondContact O-N 2.89Å; E240-K242 PolarHBondContact O-N 3.46Å; K242-V244 PolarHBondContact O-N 3.47Å; K242-Q264 WeakPolarHBondContact CD-O 3.42Å; K242-Q264 PolarHBondContact NZ-O 3.44Å; K242-L265 HydrophobicContact CB-CD2 3.68Å; K242-L265 HydrophobicContact CD-CD2 3.9Å; K242-L265 HydrophobicContact CG-CD2 4.41Å; K242-L265 PolarHBondContact NZ-O 3.34Å
243A92.6Very high85.7Confident71 Ų7184.2 Ų84.259%0.58746%0.455SS*.EExtended strand (participates in β ladder)trans-69.6125.2179.400000110.9N238N238-A243 VanDerWaalsContact OD1-CA 3.24Å; N238-A243 WeakPolarHBondContact OD1-CA 3.18Å; N238-A243 WeakPolarHBondContact OD1-CB 2.86Å; N238-A243 PolarHBondContact OD1-N 3.37Å
244V92Very high86.6Confident9 Ų978.1 Ų78.16%0.05544%0.435CS..EExtended strand (participates in β ladder)trans-126.9129.9176.5178.60000108.4V237 I239 K242 F246 I261 L265V237-V244 PolarHBondContact N-O 2.91Å; V237-V244 PolarHBondContact O-N 3.44Å; V237-V244 VanDerWaalsContact O-O 3.06Å; I239-V244 HydrophobicContact CB-CG2 4.45Å; I239-V244 HydrophobicContact CD1-CB 4.09Å; I239-V244 HydrophobicContact CD1-CG1 4.31Å; I239-V244 HydrophobicContact CD1-CG2 3.92Å; I239-V244 HydrophobicContact CG1-CB 4.3Å; I239-V244 HydrophobicContact CG1-CG2 4.12Å; K242-V244 PolarHBondContact O-N 3.47Å; V244-F246 HydrophobicContact CB-CD2 4.37Å; V244-F246 HydrophobicContact CB-CE2 3.91Å; V244-F246 HydrophobicContact CG1-CD2 4.07Å; V244-F246 HydrophobicContact CG1-CE2 3.68Å; V244-F246 HydrophobicContact CG1-CZ 4.16Å; V244-F246 PolarHBondContact O-N 2.95Å; V244-I261 HydrophobicContact CB-CG2 4.46Å; V244-I261 HydrophobicContact CG1-CD1 4.13Å; V244-I261 HydrophobicContact CG1-CG2 3.66Å; V244-I261 HydrophobicContact CG2-CG2 3.88Å; V244-L265 HydrophobicContact CG2-CD2 3.9Å
245T89.6Confident87.1Confident90 Ų9075.7 Ų75.755%0.55243%0.429SS*.EExtended strand (participates in β ladder)trans-84.9115176.7-58.20000109.7H234 I235H234-T245 HydrophobicContact CB-CG2 3.73Å; I235-T245 CarbonylContact O-C 3.45Å; I235-T245 WeakPolarHBondContact O-CA 3.42Å
246F87.5Confident87.5Confident31 Ų3174.6 Ų74.614%0.13642%0.423CS..EExtended strand (participates in β ladder)trans-98.6142173.1-76.6-91.2000110.8H234 I235 V237 I239 V244 T255 I257 Y296H234-F246 CarbonylContact C-O 3.6Å; H234-F246 WeakPolarHBondContact CA-O 3.42Å; I235-F246 HydrophobicContact CG1-CB 4.19Å; I235-F246 PolarHBondContact N-O 2.88Å; I235-F246 PolarHBondContact O-N 2.73Å; V237-F246 HydrophobicContact CB-CD2 3.86Å; V237-F246 HydrophobicContact CB-CE2 4.11Å; V237-F246 HydrophobicContact CG2-CD2 4.1Å; I239-F246 HydrophobicContact CD1-CE2 3.6Å; I239-F246 HydrophobicContact CD1-CZ 3.46Å; I239-F246 VanDerWaalsContact CD1-CZ 3.46Å; I239-F246 HydrophobicContact CG1-CE2 4.01Å; I239-F246 HydrophobicContact CG1-CZ 4.29Å; V244-F246 HydrophobicContact CB-CD2 4.37Å; V244-F246 HydrophobicContact CB-CE2 3.91Å; V244-F246 HydrophobicContact CG1-CD2 4.07Å; V244-F246 HydrophobicContact CG1-CE2 3.68Å; V244-F246 HydrophobicContact CG1-CZ 4.16Å; V244-F246 PolarHBondContact O-N 2.95Å; F246-T255 HydrophobicContact CD1-CG2 4.41Å; F246-T255 HydrophobicContact CE1-CG2 3.57Å; F246-T255 HydrophobicContact CZ-CG2 4.01Å; F246-I257 HydrophobicContact CE1-CG2 3.67Å; F246-I257 HydrophobicContact CZ-CG2 3.64Å; F246-Y296 HydrophobicContact CZ-CE1 4.37Å
247Q84.3Confident87.7Confident90 Ų9071.6 Ų71.642%0.42140%0.402SS..EExtended strand (participates in β ladder)trans-77.5128.8161.5-167.7-172.2-7000108.3K232 D249K232-Q247 HydrophobicContact CB-CG 4.48Å; Q247-D249 PolarHBondContact O-N 3.31Å
248I79.8Confident87.8Confident74 Ų7471.1 Ų71.138%0.37940%0.399SS..PPolyproline II helixtrans-73.9116.2171-58.1171.8000107.6R233 I235R233-I248 HydrophobicContact CB-CB 4.37Å; R233-I248 HydrophobicContact CB-CD1 3.73Å; R233-I248 HydrophobicContact CB-CG1 4.31Å; R233-I248 PolarHBondContact O-N 3.24Å; I235-I248 HydrophobicContact CB-CD1 4.4Å; I235-I248 HydrophobicContact CB-CG1 4.38Å; I235-I248 HydrophobicContact CD1-CD1 4.34Å; I235-I248 HydrophobicContact CD1-CG1 3.93Å; I235-I248 HydrophobicContact CG1-CD1 4.27Å; I235-I248 HydrophobicContact CG1-CG1 3.77Å; I235-I248 HydrophobicContact CG2-CD1 3.37Å; I235-I248 HydrophobicContact CG2-CG1 3.84Å
249D80Confident87.9Confident81 Ų8169.3 Ų69.343%0.43339%0.391SS..  trans-128.3106.6171-17915000109.3Q247 G251 S252Q247-D249 PolarHBondContact O-N 3.31Å; D249-G251 PolarHBondContact O-N 2.72Å; D249-G251 PolarHBondContact OD1-N 2.72Å; D249-G251 VanDerWaalsContact OD1-N 3.07Å; D249-S252 PolarHBondContact O-N 2.86Å; D249-S252 PolarHBondContact OD2-OG 3.31Å
250T73.9Confident87.9Confident146 Ų14674.5 Ų74.590%0.89642%0.415SS*.THydrogen-bonded Turntrans-68.5-13.4179.750.70000113
251G78.7Confident88.1Confident61 Ų6171.5 Ų71.563%0.62940%0.401SS*.THydrogen-bonded Turntrans-90-0.5175.900000114.3D249D249-G251 PolarHBondContact O-N 2.72Å; D249-G251 PolarHBondContact OD1-N 2.72Å; D249-G251 VanDerWaalsContact OD1-N 3.07Å
252S84.3Confident88.6Confident69 Ų6964.1 Ų64.148%0.48337%0.368SS..  trans-94116.5-177.9-78.30000111.7D249D249-S252 PolarHBondContact O-N 2.86Å; D249-S252 PolarHBondContact OD2-OG 3.31Å
253D86.2Confident88.7Confident162 Ų16265.9 Ų65.987%0.86638%0.376SS*.SBendtrans-76.8-24.2173.9-64.1-42000112.9
254L90.4Very high88.7Confident51 Ų5169.1 Ų69.127%0.26738%0.379SS..SBendtrans-114.4139.5-175.6-58.8-178.2000111I256 V276 A278 Y308L254-I256 HydrophobicContact CB-CD1 4.3Å; L254-I256 HydrophobicContact CB-CG1 4.02Å; L254-V276 HydrophobicContact CD1-CG1 4.05Å; L254-A278 HydrophobicContact CD1-CB 3.75Å; L254-Y308 HydrophobicContact CB-CD2 4.24Å; L254-Y308 HydrophobicContact CD2-CD2 4.3Å; L254-Y308 HydrophobicContact CD2-CE2 3.79Å
255T92.1Very high88.8Confident60 Ų6069.6 Ų69.637%0.36838%0.381SS..  trans-86.5111.8168.1-58.80000109.3F246 Y296 Y308F246-T255 HydrophobicContact CD1-CG2 4.41Å; F246-T255 HydrophobicContact CE1-CG2 3.57Å; F246-T255 HydrophobicContact CZ-CG2 4.01Å; T255-Y296 HydrophobicContact CG2-CE1 4Å; T255-Y308 PolarHBondContact O-N 2.88Å
256I93.2Very high89Confident36 Ų3667.9 Ų67.919%0.18538%0.381CS..EExtended strand (participates in β ladder)trans-118.1137.8-176.4-48.9179.3000109.7L254 I286 L288 Y308 I312L254-I256 HydrophobicContact CB-CD1 4.3Å; L254-I256 HydrophobicContact CB-CG1 4.02Å; I256-I286 HydrophobicContact CD1-CD1 4.36Å; I256-I286 HydrophobicContact CD1-CG2 4.36Å; I256-L288 HydrophobicContact CD1-CD2 4.46Å; I256-Y308 CarbonylContact C-O 3.57Å; I256-Y308 WeakPolarHBondContact CA-O 3.27Å; I256-I312 HydrophobicContact CB-CD1 4.13Å; I256-I312 HydrophobicContact CG2-CD1 3.55Å; I256-I312 HydrophobicContact CG2-CG1 4.33Å
257I93.7Very high89.4Confident3 Ų369 Ų692%0.01539%0.393CS..EExtended strand (participates in β ladder)trans-122.2156.617162.5173.4000110.9I239 F246 I261 W262 L265 F292 Y308 V309 S310I239-I257 HydrophobicContact CD1-CG2 4.33Å; F246-I257 HydrophobicContact CE1-CG2 3.67Å; F246-I257 HydrophobicContact CZ-CG2 3.64Å; I257-I261 HydrophobicContact CB-CB 4.21Å; I257-I261 HydrophobicContact CB-CG2 4.08Å; I257-I261 HydrophobicContact CD1-CG2 4.04Å; I257-I261 HydrophobicContact CG2-CG2 4.24Å; I257-W262 HydrophobicContact CD1-CB 3.92Å; I257-W262 HydrophobicContact CG1-CB 4.48Å; I257-L265 HydrophobicContact CD1-CD1 3.7Å; I257-F292 HydrophobicContact CD1-CE1 3.91Å; I257-F292 HydrophobicContact CD1-CZ 3.91Å; I257-Y308 PolarHBondContact N-O 3.1Å; I257-V309 HydrophobicContact CD1-CG2 4.4Å; I257-V309 HydrophobicContact CG1-CG2 4.13Å; I257-V309 WeakPolarHBondContact O-CA 3.42Å; I257-S310 PolarHBondContact O-N 3.45Å
258S93.7Very high89.9Confident8 Ų866.4 Ų66.46%0.05638%0.384CS..EExtended strand (participates in β ladder)trans-72.1157.5173.569.60000111.8Q260 I261 W262 S310 I312S258-Q260 PolarHBondContact O-N 3.36Å; S258-Q260 PolarHBondContact OG-OE1 2.91Å; S258-I261 PolarHBondContact O-N 2.94Å; S258-I261 VanDerWaalsContact O-N 3.16Å; S258-I261 WeakPolarHBondContact OG-CG1 3.36Å; S258-I261 PolarHBondContact OG-N 3.27Å; S258-W262 PolarHBondContact O-N 3.18Å; S258-S310 WeakPolarHBondContact CA-O 3.4Å; S258-I312 WeakPolarHBondContact CB-O 3.47Å
259V94.9Very high90.7Very high24 Ų2468.5 Ų68.515%0.14540%0.402CS..Hα-helixtrans-56.7-33.7172.9172.70000111.6W262 K263 R289 V309 S310 D311V259-W262 HydrophobicContact CG1-CE3 4.34Å; V259-W262 PolarHBondContact O-N 2.72Å; V259-K263 HydrophobicContact CG1-CD 4.25Å; V259-K263 WeakPolarHBondContact O-CB 3.42Å; V259-K263 VanDerWaalsContact O-CG 3.31Å; V259-K263 WeakPolarHBondContact O-CG 3.49Å; V259-K263 PolarHBondContact O-N 3.34Å; V259-R289 HydrophobicContact CG2-CG 4.19Å; V259-V309 HydrophobicContact CG2-CG1 3.86Å; V259-S310 PolarHBondContact N-O 3.05Å; V259-D311 WeakPolarHBondContact CG2-OD1 3.36Å
260Q93.5Very high91.4Very high108 Ų10867.4 Ų67.451%0.50540%0.396SS..Hα-helixtrans-65.6-45.4177.9-65.181.8-11.600111.1S258 K263 Q264S258-Q260 PolarHBondContact O-N 3.36Å; S258-Q260 PolarHBondContact OG-OE1 2.91Å; Q260-K263 PolarHBondContact O-N 3.06Å; Q260-Q264 WeakPolarHBondContact O-CG 3.49Å; Q260-Q264 PolarHBondContact O-N 3.44Å
261I93.3Very high92.5Very high39 Ų3963.9 Ų63.920%0.238%0.377CS..Hα-helixtrans-64.4-45.8175.9-66.2169.2000109.7V244 I257 S258 K263 Q264 L265V244-I261 HydrophobicContact CB-CG2 4.46Å; V244-I261 HydrophobicContact CG1-CD1 4.13Å; V244-I261 HydrophobicContact CG1-CG2 3.66Å; V244-I261 HydrophobicContact CG2-CG2 3.88Å; I257-I261 HydrophobicContact CB-CB 4.21Å; I257-I261 HydrophobicContact CB-CG2 4.08Å; I257-I261 HydrophobicContact CD1-CG2 4.04Å; I257-I261 HydrophobicContact CG2-CG2 4.24Å; S258-I261 PolarHBondContact O-N 2.94Å; S258-I261 VanDerWaalsContact O-N 3.16Å; S258-I261 WeakPolarHBondContact OG-CG1 3.36Å; S258-I261 PolarHBondContact OG-N 3.27Å; I261-K263 VanDerWaalsContact C-N 3.29Å; I261-K263 PolarHBondContact O-N 2.97Å; I261-Q264 CarbonylContact O-C 3.59Å; I261-Q264 WeakPolarHBondContact O-CA 3.34Å; I261-Q264 WeakPolarHBondContact O-CB 3.25Å; I261-Q264 PolarHBondContact O-N 3Å; I261-L265 HydrophobicContact CG2-CD1 4.23Å; I261-L265 HydrophobicContact CG2-CG 4.4Å; I261-L265 WeakPolarHBondContact O-CG 3.34Å; I261-L265 PolarHBondContact O-N 3.06Å
262W95.4Very high93.3Very high42 Ų4266.8 Ų66.816%0.15938%0.378CS..Hα-helixtrans-56.9-41.2176.9170.677.1000112.5I257 S258 V259 L265 G266 S267 P268 L270 F292 V309I257-W262 HydrophobicContact CD1-CB 3.92Å; I257-W262 HydrophobicContact CG1-CB 4.48Å; S258-W262 PolarHBondContact O-N 3.18Å; V259-W262 HydrophobicContact CG1-CE3 4.34Å; V259-W262 PolarHBondContact O-N 2.72Å; W262-L265 WeakPolarHBondContact O-CB 3.44Å; W262-L265 PolarHBondContact O-N 3.48Å; W262-G266 PolarHBondContact O-N 3.34Å; W262-S267 VanDerWaalsContact CE2-CA 3.48Å; W262-S267 PolarHBondContact O-N 2.98Å; W262-P268 WeakPolarHBondContact CZ2-O 3.42Å; W262-P268 VanDerWaalsContact NE1-CD 3.34Å; W262-P268 PolarHBondContact NE1-O 3.04Å; W262-L270 HydrophobicContact CZ2-CD1 4.15Å; W262-L270 HydrophobicContact CZ2-CD2 4.5Å; W262-L270 HydrophobicContact CZ2-CG 4.01Å; W262-F292 AromaticContact CD1-CE1 3.77Å; W262-V309 HydrophobicContact CB-CG1 3.96Å; W262-V309 HydrophobicContact CB-CG2 3.95Å; W262-V309 HydrophobicContact CG-CG1 4.19Å; W262-V309 HydrophobicContact CG-CG2 3.83Å
263K94.3Very high93.7Very high129 Ų12964.1 Ų64.156%0.56136%0.359SS*.Hα-helixtrans-61.7-43.2172.5-75.2173.3-179.7177.60112.2V259 Q260 I261 L265 G266V259-K263 HydrophobicContact CG1-CD 4.25Å; V259-K263 WeakPolarHBondContact O-CB 3.42Å; V259-K263 VanDerWaalsContact O-CG 3.31Å; V259-K263 WeakPolarHBondContact O-CG 3.49Å; V259-K263 PolarHBondContact O-N 3.34Å; Q260-K263 PolarHBondContact O-N 3.06Å; I261-K263 VanDerWaalsContact C-N 3.29Å; I261-K263 PolarHBondContact O-N 2.97Å; K263-L265 PolarHBondContact O-N 3.02Å; K263-G266 PolarHBondContact O-N 3.42Å
264Q92Very high93.8Very high139 Ų13961.2 Ų61.265%0.6535%0.352SS*.Hα-helixtrans-63.3-30.4175.7-69.1170.611.400112.3K242 Q260 I261 G266K242-Q264 WeakPolarHBondContact CD-O 3.42Å; K242-Q264 PolarHBondContact NZ-O 3.44Å; Q260-Q264 WeakPolarHBondContact O-CG 3.49Å; Q260-Q264 PolarHBondContact O-N 3.44Å; I261-Q264 CarbonylContact O-C 3.59Å; I261-Q264 WeakPolarHBondContact O-CA 3.34Å; I261-Q264 WeakPolarHBondContact O-CB 3.25Å; I261-Q264 PolarHBondContact O-N 3Å; Q264-G266 PolarHBondContact O-N 3.24Å
265L93.2Very high93.7Very high19 Ų1964.2 Ų64.210%0.09938%0.377CS..Hα-helixtrans-70.9-12.2173.9-64.5175.4000113.2I239 K242 V244 I257 I261 W262 K263 F292I239-L265 HydrophobicContact CB-CD1 4.19Å; I239-L265 HydrophobicContact CB-CD2 4.09Å; I239-L265 HydrophobicContact CD1-CD1 4.04Å; I239-L265 HydrophobicContact CG2-CD1 3.98Å; K242-L265 HydrophobicContact CB-CD2 3.68Å; K242-L265 HydrophobicContact CD-CD2 3.9Å; K242-L265 HydrophobicContact CG-CD2 4.41Å; K242-L265 PolarHBondContact NZ-O 3.34Å; V244-L265 HydrophobicContact CG2-CD2 3.9Å; I257-L265 HydrophobicContact CD1-CD1 3.7Å; I261-L265 HydrophobicContact CG2-CD1 4.23Å; I261-L265 HydrophobicContact CG2-CG 4.4Å; I261-L265 WeakPolarHBondContact O-CG 3.34Å; I261-L265 PolarHBondContact O-N 3.06Å; W262-L265 WeakPolarHBondContact O-CB 3.44Å; W262-L265 PolarHBondContact O-N 3.48Å; K263-L265 PolarHBondContact O-N 3.02Å; L265-F292 HydrophobicContact CD1-CZ 4.09Å
266G94.5Very high93.6Very high53 Ų5363.5 Ų63.555%0.54637%0.372SS..THydrogen-bonded Turntrans106.714.9178.800000113.3W262 K263 Q264W262-G266 PolarHBondContact O-N 3.34Å; K263-G266 PolarHBondContact O-N 3.42Å; Q264-G266 PolarHBondContact O-N 3.24Å
267S95Very high93.5Very high55 Ų5572 Ų7239%0.38540%0.402SS..  trans55.851.9177.4-51.70000113.9W262W262-S267 VanDerWaalsContact CE2-CA 3.48Å; W262-S267 PolarHBondContact O-N 2.98Å
268P94.8Very high93.3Very high35 Ų3572 Ų7223%0.22740%0.403CS..PPolyproline II helixtrans-56.8147178.724.8-34.7000111.4W262 L270 F292W262-P268 WeakPolarHBondContact CZ2-O 3.42Å; W262-P268 VanDerWaalsContact NE1-CD 3.34Å; W262-P268 PolarHBondContact NE1-O 3.04Å; P268-L270 PolarHBondContact O-N 2.96Å; P268-F292 HydrophobicContact CB-CD2 4.14Å; P268-F292 HydrophobicContact CB-CG 4.45Å; P268-F292 HydrophobicContact CG-CD1 4.32Å; P268-F292 HydrophobicContact CG-CD2 3.61Å; P268-F292 HydrophobicContact CG-CE1 4.42Å; P268-F292 HydrophobicContact CG-CE2 3.7Å; P268-F292 HydrophobicContact CG-CG 3.94Å; P268-F292 HydrophobicContact CG-CZ 4.12Å
269P96.5Very high93.1Very high118 Ų11875 Ų7577%0.76642%0.421SS*.PPolyproline II helixtrans-54.1133.4-179-2634.2000112.4
270L96.5Very high92.6Very high59 Ų5976.2 Ų76.231%0.30943%0.428SS..PPolyproline II helixtrans-93.1135179.3-62.9-179.8000110.7W262 P268 R289 F292 V309W262-L270 HydrophobicContact CZ2-CD1 4.15Å; W262-L270 HydrophobicContact CZ2-CD2 4.5Å; W262-L270 HydrophobicContact CZ2-CG 4.01Å; P268-L270 PolarHBondContact O-N 2.96Å; L270-R289 HydrophobicContact CD1-CB 4.12Å; L270-F292 HydrophobicContact CD2-CB 4.42Å; L270-F292 HydrophobicContact CD2-CD1 3.88Å; L270-V309 HydrophobicContact CD1-CB 4.5Å; L270-V309 HydrophobicContact CD2-CB 4.4Å; L270-V309 HydrophobicContact CD2-CG2 3.73Å
271S96.4Very high91.9Very high71 Ų7179.6 Ų79.650%0.49744%0.438SS..BIsolated β-bridgetrans-89.4151.8169.2-56.50000110.2G290 S291S271-G290 VanDerWaalsContact O-CA 3.23Å; S271-G290 WeakPolarHBondContact O-CA 3.46Å; S271-S291 WeakPolarHBondContact CB-O 3.43Å; S271-S291 PolarHBondContact N-O 2.92Å; S271-S291 PolarHBondContact O-N 3.05Å
272D94.4Very high91.1Very high122 Ų12281.6 Ų81.665%0.65245%0.449SS*.PPolyproline II helixtrans-59146.5176.6-179.446.5000112.1S274D272-S274 PolarHBondContact OD1-N 3.42Å; D272-S274 VanDerWaalsContact OD2-CB 3.26Å; D272-S274 WeakPolarHBondContact OD2-CB 3.49Å; D272-S274 PolarHBondContact OD2-N 3.34Å; D272-S274 PolarHBondContact OD2-OG 3.49Å
273T92.8Very high90.4Very high13 Ų1381.9 Ų81.98%0.0847%0.465CS..  trans-129.420.6-179.652.20000112.4S275 V276 G290 Y308T273-S275 PolarHBondContact O-N 3.02Å; T273-V276 PolarHBondContact O-N 3.33Å; T273-G290 VanDerWaalsContact CG2-C 3.43Å; T273-Y308 HydrophobicContact CG2-CD1 3.87Å; T273-Y308 HydrophobicContact CG2-CE1 3.82Å
274S88.6Confident89.9Confident102 Ų10279.5 Ų79.571%0.71346%0.458SS*.THydrogen-bonded Turntrans-58-28.2-18062.90000114.1D272D272-S274 PolarHBondContact OD1-N 3.42Å; D272-S274 VanDerWaalsContact OD2-CB 3.26Å; D272-S274 WeakPolarHBondContact OD2-CB 3.49Å; D272-S274 PolarHBondContact OD2-N 3.34Å; D272-S274 PolarHBondContact OD2-OG 3.49Å
275S88.4Confident89.7Confident114 Ų11477.9 Ų77.980%0.79746%0.458SS*.THydrogen-bonded Turntrans-82.7-9.9176.260.20000114.4T273T273-S275 PolarHBondContact O-N 3.02Å
276V91.1Very high89.5Confident44 Ų4478.7 Ų78.727%0.26746%0.462SS..  trans-103.1120.4-176-178.20000109.4L254 T273 L288 Y308L254-V276 HydrophobicContact CD1-CG1 4.05Å; T273-V276 PolarHBondContact O-N 3.33Å; V276-L288 HydrophobicContact CB-CD1 4.36Å; V276-L288 HydrophobicContact CG1-CD1 3.98Å; V276-Y308 HydrophobicContact CB-CE1 4.29Å; V276-Y308 HydrophobicContact CG1-CE1 3.91Å; V276-Y308 HydrophobicContact CG2-CE1 4.05Å
277R89.8Confident89.3Confident214 Ų21480 Ų8081%0.80846%0.461SS*.  trans-102.8100.5175.3-167.4178.9-62.3176.71.6109.5T279R277-T279 HydrophobicContact CG-CG2 4.14Å
278A91Very high89.3Confident4 Ų479 Ų793%0.03345%0.451CS..  trans-86.9125.3171.400000109.6L254 I286 L288L254-A278 HydrophobicContact CD1-CB 3.75Å; A278-I286 HydrophobicContact CB-CB 3.88Å; A278-I286 PolarHBondContact O-N 3.16Å; A278-L288 HydrophobicContact CB-CD1 3.9Å; A278-L288 HydrophobicContact CB-CD2 4.06Å; A278-L288 HydrophobicContact CB-CG 4.03Å
279T88.8Confident89.3Confident72 Ų7284.6 Ų84.644%0.44247%0.468SS..BIsolated β-bridgetrans-132.3149177.250.90000111.1R277 D284R277-T279 HydrophobicContact CG-CG2 4.14Å; T279-D284 CarbonylContact C-O 3.54Å; T279-D284 WeakPolarHBondContact CA-O 3.34Å; T279-D284 WeakPolarHBondContact CB-O 3.44Å
280T84.8Confident89.3Confident48 Ų4879 Ų7929%0.29443%0.432SS..  trans-69.6167.4167.3710000110N282 G283 D284 I286T280-N282 PolarHBondContact O-N 3.39Å; T280-N282 PolarHBondContact OG1-N 2.96Å; T280-G283 PolarHBondContact O-N 3.47Å; T280-D284 HydrophobicContact CG2-CB 4.19Å; T280-D284 PolarHBondContact N-O 3.1Å; T280-D284 WeakPolarHBondContact OG1-CB 3.41Å; T280-D284 PolarHBondContact OG1-N 3.05Å; T280-I286 HydrophobicContact CG2-CD1 4.09Å; T280-I286 HydrophobicContact CG2-CG1 3.91Å
281Y79.1Confident89.3Confident180 Ų18077 Ų7771%0.70642%0.422SS*.THydrogen-bonded Turntrans-60-14.4174.778.4-84.1000113.7
282N75Confident89.3Confident80 Ų8074 Ų7443%0.42840%0.401SS..THydrogen-bonded Turntrans-89.1-11.1176.8-53.7-24.6000113.2T280T280-N282 PolarHBondContact O-N 3.39Å; T280-N282 PolarHBondContact OG1-N 2.96Å
283G81.8Confident89.4Confident49 Ų4977.4 Ų77.451%0.50540%0.404SS..SBendtrans93.7-1.3-173.500000115.2T280T280-G283 PolarHBondContact O-N 3.47Å
284D83.1Confident89.4Confident78 Ų7877 Ų7742%0.41740%0.401SS..  trans-66.8138.8175.2-59-48.7000110.4T279 T280T279-D284 CarbonylContact C-O 3.54Å; T279-D284 WeakPolarHBondContact CA-O 3.34Å; T279-D284 WeakPolarHBondContact CB-O 3.44Å; T280-D284 HydrophobicContact CG2-CB 4.19Å; T280-D284 PolarHBondContact N-O 3.1Å; T280-D284 WeakPolarHBondContact OG1-CB 3.41Å; T280-D284 PolarHBondContact OG1-N 3.05Å
285T87.6Confident89.7Confident106 Ų10673.5 Ų73.565%0.6538%0.379SS*.BIsolated β-bridgetrans-79.2132.9-179.3-58.40000111.5
286I89.4Confident90Very high35 Ų3569.3 Ų69.318%0.17935%0.346CS..  trans-95.2112.8174.5-56.3172.1000108I256 A278 T280 L288 I312I256-I286 HydrophobicContact CD1-CD1 4.36Å; I256-I286 HydrophobicContact CD1-CG2 4.36Å; A278-I286 HydrophobicContact CB-CB 3.88Å; A278-I286 PolarHBondContact O-N 3.16Å; T280-I286 HydrophobicContact CG2-CD1 4.09Å; T280-I286 HydrophobicContact CG2-CG1 3.91Å; I286-L288 HydrophobicContact CG2-CD2 4.42Å; I286-L288 PolarHBondContact O-N 3.21Å; I286-I312 HydrophobicContact CG2-CG2 4.45Å
287P91.3Very high90.1Very high81 Ų8168.7 Ų68.753%0.52634%0.343SS..  trans-68.9121.6-178.826.8-32.5000110.5S310P287-S310 VanDerWaalsContact O-CB 3.29Å; P287-S310 WeakPolarHBondContact O-CB 3.48Å; P287-S310 PolarHBondContact O-OG 2.74Å
288L94.6Very high90.1Very high33 Ų3364 Ų6417%0.17333%0.329CS..EExtended strand (participates in β ladder)trans-99132176.9-58.6-179.2000110I256 V276 A278 I286 G290 Y308 V309I256-L288 HydrophobicContact CD1-CD2 4.46Å; V276-L288 HydrophobicContact CB-CD1 4.36Å; V276-L288 HydrophobicContact CG1-CD1 3.98Å; A278-L288 HydrophobicContact CB-CD1 3.9Å; A278-L288 HydrophobicContact CB-CD2 4.06Å; A278-L288 HydrophobicContact CB-CG 4.03Å; I286-L288 HydrophobicContact CG2-CD2 4.42Å; I286-L288 PolarHBondContact O-N 3.21Å; L288-G290 VanDerWaalsContact C-N 3.33Å; L288-Y308 HydrophobicContact CD1-CD1 3.77Å; L288-Y308 HydrophobicContact CD1-CE1 4.34Å; L288-Y308 HydrophobicContact CD1-CG 4.45Å; L288-V309 CarbonylContact C-O 3.47Å; L288-V309 WeakPolarHBondContact CA-O 3.43Å
289R94.3Very high90Very high154 Ų15467.5 Ų67.558%0.58137%0.365SS*.EExtended strand (participates in β ladder)trans-78.5-22.8171.8-68.4-67.5-171.5171.4-4.9112.3V259 L270 V309 D311V259-R289 HydrophobicContact CG2-CG 4.19Å; L270-R289 HydrophobicContact CD1-CB 4.12Å; R289-V309 HydrophobicContact CB-CB 4.36Å; R289-V309 HydrophobicContact CB-CG1 4.33Å; R289-V309 PolarHBondContact N-O 3.26Å; R289-D311 IonicContact CZ-OD1 3.79Å; R289-D311 IonicContact CZ-OD2 3.26Å; R289-D311 VanDerWaalsContact CZ-OD2 3.22Å; R289-D311 IonicContact NE-OD1 3.27Å; R289-D311 PolarHBondContact NE-OD1 3.23Å; R289-D311 IonicContact NE-OD2 2.9Å; R289-D311 PolarHBondContact NE-OD2 3.26Å; R289-D311 IonicContact NH2-OD1 3.36Å; R289-D311 PolarHBondContact NH2-OD1 3Å; R289-D311 IonicContact NH2-OD2 3.91Å; R289-D311 PolarHBondContact NH2-OD2 3.25Å
290G96.6Very high89.9Confident1 Ų170.6 Ų70.61%0.0138%0.384CS..EExtended strand (participates in β ladder)trans150.9-173.7-178.600000111.3S271 T273 L288 V309S271-G290 VanDerWaalsContact O-CA 3.23Å; S271-G290 WeakPolarHBondContact O-CA 3.46Å; T273-G290 VanDerWaalsContact CG2-C 3.43Å; L288-G290 VanDerWaalsContact C-N 3.33Å; G290-V309 PolarHBondContact O-N 3.47Å
291S96.8Very high90.3Very high15 Ų1575 Ų7511%0.10540%0.402CS..EExtended strand (participates in β ladder)trans-134.2157.117866.30000111.8S271 C307S271-S291 WeakPolarHBondContact CB-O 3.43Å; S271-S291 PolarHBondContact N-O 2.92Å; S271-S291 PolarHBondContact O-N 3.05Å; S291-C307 CarbonylContact C-O 3.43Å; S291-C307 VanDerWaalsContact CA-O 3.23Å; S291-C307 WeakPolarHBondContact CA-O 3.3Å; S291-C307 WeakPolarHBondContact CB-O 3.28Å
292F96.2Very high90.9Very high10 Ų1070.7 Ų70.74%0.04440%0.398CS..EExtended strand (participates in β ladder)trans-142.8150.817266.5-77.4000109.7I257 W262 L265 P268 L270 C294 C307 V309I257-F292 HydrophobicContact CD1-CE1 3.91Å; I257-F292 HydrophobicContact CD1-CZ 3.91Å; W262-F292 AromaticContact CD1-CE1 3.77Å; L265-F292 HydrophobicContact CD1-CZ 4.09Å; P268-F292 HydrophobicContact CB-CD2 4.14Å; P268-F292 HydrophobicContact CB-CG 4.45Å; P268-F292 HydrophobicContact CG-CD1 4.32Å; P268-F292 HydrophobicContact CG-CD2 3.61Å; P268-F292 HydrophobicContact CG-CE1 4.42Å; P268-F292 HydrophobicContact CG-CE2 3.7Å; P268-F292 HydrophobicContact CG-CG 3.94Å; P268-F292 HydrophobicContact CG-CZ 4.12Å; L270-F292 HydrophobicContact CD2-CB 4.42Å; L270-F292 HydrophobicContact CD2-CD1 3.88Å; F292-C294 HydrophobicContact CD2-CB 3.98Å; F292-C294 HydrophobicContact CE2-CB 3.66Å; F292-C307 HydrophobicContact CD1-CB 4.16Å; F292-C307 HydrophobicContact CE1-CB 3.64Å; F292-C307 HydrophobicContact CE2-CB 4.24Å; F292-C307 HydrophobicContact CZ-CB 3.68Å; F292-C307 PolarHBondContact N-O 3.45Å; F292-C307 PolarHBondContact O-N 2.91Å; F292-V309 HydrophobicContact CD1-CG2 4.03Å; F292-V309 HydrophobicContact CE1-CG2 3.78Å
293R95.5Very high91.8Very high193 Ų19371.5 Ų71.573%0.72841%0.405SS*.EExtended strand (participates in β ladder)trans-85.6133.7174.4-176.1173.2-75.8-118.9-1.9109G305R293-G305 WeakPolarHBondContact CA-O 3.43Å
294C94.5Very high92.4Very high3 Ų373 Ų732%0.0241%0.408CS..EExtended strand (participates in β ladder)trans-146.4160.8178.756.30000112.3I239 E240 F292 S304 G305I239-C294 HydrophobicContact CG2-CB 3.77Å; E240-C294 HydrophobicContact CG-CB 4.02Å; E240-C294 WeakPolarHBondContact OE1-CA 3.4Å; E240-C294 WeakPolarHBondContact OE1-CB 3.47Å; F292-C294 HydrophobicContact CD2-CB 3.98Å; F292-C294 HydrophobicContact CE2-CB 3.66Å; C294-S304 WeakPolarHBondContact O-CA 3.41Å; C294-G305 PolarHBondContact N-O 3.37Å; C294-G305 PolarHBondContact O-N 3.04Å
295A94.9Very high92.9Very high29 Ų2970.3 Ų70.324%0.2440%0.398CS..EExtended strand (participates in β ladder)trans-88.1122.7169.400000110.7I239 E240I239-A295 WeakPolarHBondContact CA-O 3.42Å; E240-A295 PolarHBondContact N-O 3.43Å; E240-A295 PolarHBondContact OE1-N 2.97Å
296Y94.4Very high93.3Very high26 Ų2667.8 Ų67.810%0.10238%0.383CS..EExtended strand (participates in β ladder)trans-95.8138.5169-58.3-88.7000109.4V237 N238 I239 F246 T255 S302 V303 T306 C307V237-Y296 HydrophobicContact CG1-CD1 4.18Å; N238-Y296 CarbonylContact O-C 3.58Å; N238-Y296 VanDerWaalsContact O-CA 3.32Å; N238-Y296 WeakPolarHBondContact O-CA 3.37Å; I239-Y296 HydrophobicContact CD1-CD1 4.47Å; I239-Y296 HydrophobicContact CD1-CE1 4.08Å; I239-Y296 HydrophobicContact CG1-CD1 3.94Å; I239-Y296 HydrophobicContact CG1-CE1 4.03Å; F246-Y296 HydrophobicContact CZ-CE1 4.37Å; T255-Y296 HydrophobicContact CG2-CE1 4Å; Y296-S302 CarbonylContact O-C 3.53Å; Y296-S302 VanDerWaalsContact O-CA 3.27Å; Y296-S302 WeakPolarHBondContact O-CA 3.39Å; Y296-S302 PolarHBondContact O-OG 3.21Å; Y296-V303 PolarHBondContact N-O 3.36Å; Y296-V303 PolarHBondContact O-N 3.26Å; Y296-T306 PolarHBondContact OH-O 3.35Å; Y296-C307 WeakPolarHBondContact OH-CA 3.46Å; Y296-C307 WeakPolarHBondContact OH-CB 3.36Å; Y296-C307 PolarHBondContact OH-N 2.95Å; Y296-C307 PolarHBondContact OH-SG 3.4Å
297S93.1Very high93.6Very high31 Ų3166.1 Ų66.122%0.21737%0.374CS..EExtended strand (participates in β ladder)trans-137.8139.1171.450.10000112.4N238 H301N238-S297 VanDerWaalsContact CB-OG 3.25Å; N238-S297 WeakPolarHBondContact CB-OG 3.47Å; N238-S297 PolarHBondContact N-O 3.42Å; N238-S297 PolarHBondContact O-N 2.94Å; S297-H301 CarbonylContact C-O 3.53Å; S297-H301 VanDerWaalsContact CA-O 3.23Å; S297-H301 WeakPolarHBondContact CA-O 3.4Å; S297-H301 WeakPolarHBondContact CB-O 3.37Å
298F89.5Confident93.8Very high116 Ų11663.8 Ų63.851%0.50936%0.355SS..EExtended strand (participates in β ladder)trans-143.3119.3178-178.3-98.2000109.2I235 S236 V237 T300 H301I235-F298 HydrophobicContact CB-CE2 4.42Å; S236-F298 VanDerWaalsContact O-CD2 3.31Å; S236-F298 WeakPolarHBondContact O-CD2 3.49Å; V237-F298 HydrophobicContact CG2-CD2 4.37Å; F298-T300 PolarHBondContact O-N 2.92Å; F298-H301 PolarHBondContact N-O 3.43Å; F298-H301 PolarHBondContact O-N 2.89Å; F298-H301 VanDerWaalsContact O-N 3.07Å
299G88.1Confident93.9Very high77 Ų7762.3 Ų62.379%0.79435%0.347SS*.THydrogen-bonded Turntrans57.5-125.9-171.200000111.4
300T88.2Confident93.9Very high137 Ų13755 Ų5584%0.8432%0.32SS*.THydrogen-bonded Turntrans-87.4-3.117852.20000113.8F298F298-T300 PolarHBondContact O-N 2.92Å
301H91.6Very high93.4Very high142 Ų14258.9 Ų58.966%0.65734%0.341SS*.EExtended strand (participates in β ladder)trans-98.5138.4-175.6-59.7-69.8000110.8S297 F298S297-H301 CarbonylContact C-O 3.53Å; S297-H301 VanDerWaalsContact CA-O 3.23Å; S297-H301 WeakPolarHBondContact CA-O 3.4Å; S297-H301 WeakPolarHBondContact CB-O 3.37Å; F298-H301 PolarHBondContact N-O 3.43Å; F298-H301 PolarHBondContact O-N 2.89Å; F298-H301 VanDerWaalsContact O-N 3.07Å
302S93.1Very high92.6Very high89 Ų8961.5 Ų61.562%0.62235%0.353SS*.EExtended strand (participates in β ladder)trans-134.2137.3174-168.30000109.5Y296Y296-S302 CarbonylContact O-C 3.53Å; Y296-S302 VanDerWaalsContact O-CA 3.27Å; Y296-S302 WeakPolarHBondContact O-CA 3.39Å; Y296-S302 PolarHBondContact O-OG 3.21Å
303V94.4Very high90.8Very high96 Ų9668.5 Ų68.558%0.58240%0.403SS*.EExtended strand (participates in β ladder)trans-142.3142.517965.50000109.7Y296Y296-V303 PolarHBondContact N-O 3.36Å; Y296-V303 PolarHBondContact O-N 3.26Å
304S94Very high90.5Very high81 Ų8162.3 Ų62.357%0.56639%0.387SS*.EExtended strand (participates in β ladder)trans-93.9134.5172.2-62.20000109.9C294C294-S304 WeakPolarHBondContact O-CA 3.41Å
305G94Very high90.3Very high21 Ų2165.4 Ų65.422%0.21641%0.406CS..EExtended strand (participates in β ladder)trans-151.7-179.2-179.100000112.4R293 C294R293-G305 WeakPolarHBondContact CA-O 3.43Å; C294-G305 PolarHBondContact N-O 3.37Å; C294-G305 PolarHBondContact O-N 3.04Å
306T94.9Very high90.1Very high53 Ų5367.4 Ų67.433%0.32542%0.415SS..EExtended strand (participates in β ladder)trans-98.7126.3176.8-58.10000109.5Y296 Y308Y296-T306 PolarHBondContact OH-O 3.35Å; T306-Y308 HydrophobicContact CG2-CD2 4.36Å; T306-Y308 HydrophobicContact CG2-CE1 4.37Å; T306-Y308 HydrophobicContact CG2-CE2 3.78Å
307C95Very high89.8Confident0 Ų069.9 Ų69.90%043%0.434CS..EExtended strand (participates in β ladder)trans-102.8136170.5-158.30000109.8S291 F292 Y296S291-C307 CarbonylContact C-O 3.43Å; S291-C307 VanDerWaalsContact CA-O 3.23Å; S291-C307 WeakPolarHBondContact CA-O 3.3Å; S291-C307 WeakPolarHBondContact CB-O 3.28Å; F292-C307 HydrophobicContact CD1-CB 4.16Å; F292-C307 HydrophobicContact CE1-CB 3.64Å; F292-C307 HydrophobicContact CE2-CB 4.24Å; F292-C307 HydrophobicContact CZ-CB 3.68Å; F292-C307 PolarHBondContact N-O 3.45Å; F292-C307 PolarHBondContact O-N 2.91Å; Y296-C307 WeakPolarHBondContact OH-CA 3.46Å; Y296-C307 WeakPolarHBondContact OH-CB 3.36Å; Y296-C307 PolarHBondContact OH-N 2.95Å; Y296-C307 PolarHBondContact OH-SG 3.4Å
308Y96.3Very high89.6Confident33 Ų3372.3 Ų72.313%0.12945%0.447CS..EExtended strand (participates in β ladder)trans-101.9146.9174.7-65.4-89.3000110.4L254 T255 I256 I257 T273 V276 L288 T306L254-Y308 HydrophobicContact CB-CD2 4.24Å; L254-Y308 HydrophobicContact CD2-CD2 4.3Å; L254-Y308 HydrophobicContact CD2-CE2 3.79Å; T255-Y308 PolarHBondContact O-N 2.88Å; I256-Y308 CarbonylContact C-O 3.57Å; I256-Y308 WeakPolarHBondContact CA-O 3.27Å; I257-Y308 PolarHBondContact N-O 3.1Å; T273-Y308 HydrophobicContact CG2-CD1 3.87Å; T273-Y308 HydrophobicContact CG2-CE1 3.82Å; V276-Y308 HydrophobicContact CB-CE1 4.29Å; V276-Y308 HydrophobicContact CG1-CE1 3.91Å; V276-Y308 HydrophobicContact CG2-CE1 4.05Å; L288-Y308 HydrophobicContact CD1-CD1 3.77Å; L288-Y308 HydrophobicContact CD1-CE1 4.34Å; L288-Y308 HydrophobicContact CD1-CG 4.45Å; T306-Y308 HydrophobicContact CG2-CD2 4.36Å; T306-Y308 HydrophobicContact CG2-CE1 4.37Å; T306-Y308 HydrophobicContact CG2-CE2 3.78Å
309V96.3Very high89.6Confident1 Ų169.4 Ų69.41%0.00644%0.443CS..EExtended strand (participates in β ladder)trans-113.4130.4178.1-1750000109I257 V259 W262 L270 L288 R289 G290 F292I257-V309 HydrophobicContact CD1-CG2 4.4Å; I257-V309 HydrophobicContact CG1-CG2 4.13Å; I257-V309 WeakPolarHBondContact O-CA 3.42Å; V259-V309 HydrophobicContact CG2-CG1 3.86Å; W262-V309 HydrophobicContact CB-CG1 3.96Å; W262-V309 HydrophobicContact CB-CG2 3.95Å; W262-V309 HydrophobicContact CG-CG1 4.19Å; W262-V309 HydrophobicContact CG-CG2 3.83Å; L270-V309 HydrophobicContact CD1-CB 4.5Å; L270-V309 HydrophobicContact CD2-CB 4.4Å; L270-V309 HydrophobicContact CD2-CG2 3.73Å; L288-V309 CarbonylContact C-O 3.47Å; L288-V309 WeakPolarHBondContact CA-O 3.43Å; R289-V309 HydrophobicContact CB-CB 4.36Å; R289-V309 HydrophobicContact CB-CG1 4.33Å; R289-V309 PolarHBondContact N-O 3.26Å; G290-V309 PolarHBondContact O-N 3.47Å; F292-V309 HydrophobicContact CD1-CG2 4.03Å; F292-V309 HydrophobicContact CE1-CG2 3.78Å
310S93.9Very high89.7Confident1 Ų168.9 Ų68.91%0.00742%0.418CS..EExtended strand (participates in β ladder)trans-135.9161.4176.9-176.20000110.4I257 S258 V259 P287 I312I257-S310 PolarHBondContact O-N 3.45Å; S258-S310 WeakPolarHBondContact CA-O 3.4Å; V259-S310 PolarHBondContact N-O 3.05Å; P287-S310 VanDerWaalsContact O-CB 3.29Å; P287-S310 WeakPolarHBondContact O-CB 3.48Å; P287-S310 PolarHBondContact O-OG 2.74Å; S310-I312 PolarHBondContact O-N 3.5Å; S310-I312 VanDerWaalsContact O-N 3.08Å
311D87.4Confident89.8Confident83 Ų8363.6 Ų63.644%0.44439%0.386SS..  trans-76.319.9174.4-62.6-45.4000112.7V259 R289V259-D311 WeakPolarHBondContact CG2-OD1 3.36Å; R289-D311 IonicContact CZ-OD1 3.79Å; R289-D311 IonicContact CZ-OD2 3.26Å; R289-D311 VanDerWaalsContact CZ-OD2 3.22Å; R289-D311 IonicContact NE-OD1 3.27Å; R289-D311 PolarHBondContact NE-OD1 3.23Å; R289-D311 IonicContact NE-OD2 2.9Å; R289-D311 PolarHBondContact NE-OD2 3.26Å; R289-D311 IonicContact NH2-OD1 3.36Å; R289-D311 PolarHBondContact NH2-OD1 3Å; R289-D311 IonicContact NH2-OD2 3.91Å; R289-D311 PolarHBondContact NH2-OD2 3.25Å
312I79Confident89.7Confident70 Ų7057.1 Ų57.136%0.35936%0.363SS..  trans-61.2137.2172.357.2174.2000110.1I256 S258 I286 S310I256-I312 HydrophobicContact CB-CD1 4.13Å; I256-I312 HydrophobicContact CG2-CD1 3.55Å; I256-I312 HydrophobicContact CG2-CG1 4.33Å; S258-I312 WeakPolarHBondContact CB-O 3.47Å; I286-I312 HydrophobicContact CG2-CG2 4.45Å; S310-I312 PolarHBondContact O-N 3.5Å; S310-I312 VanDerWaalsContact O-N 3.08Å
313S58.3Low89.4Confident157 Ų15754.2 Ų54.2100%1.09834%0.339SS*.  trans-75.30178.6630000112.4

Retrieved 313 of 313 residues in 283.3 ms (Link to these results)

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