A0A3Q0KI04_SCHMA Loading...

cGMP-dependent protein kinase

AlphaFold DB , UniProt , Accession A0A3Q0KI04, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 715 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
1M55.4Low74.1Confident214 Ų214126.3 Ų126.3100%1.05463%0.626SS**  0-490-82.1-175.6-177.700112T3 K4 C5M1-T3 PolarHBondContact O-N 3.33Å; M1-K4 PolarHBondContact O-N 2.6Å; M1-C5 PolarHBondContact O-N 3.48Å
2H57.7Low75Confident162 Ų162126.6 Ų126.675%0.7563%0.625SS**Hα-helixtrans-51.8-45.6179.5-116.3-72.8000114.9K4 C5 Q6H2-K4 VanDerWaalsContact C-N 3.26Å; H2-K4 PolarHBondContact O-N 3.17Å; H2-C5 PolarHBondContact O-N 2.82Å; H2-Q6 PolarHBondContact O-N 3.47Å; H2-Q6 VanDerWaalsContact O-N 3.14Å
3T66.2Low75.7Confident109 Ų109125.8 Ų125.867%0.66962%0.618SS**Hα-helixtrans-66.5-24.8-179.8-13.60000113.8M1 N7M1-T3 PolarHBondContact O-N 3.33Å; T3-N7 PolarHBondContact O-N 3.39Å
4K68.9Low76.5Confident164 Ų164121.1 Ų121.171%0.71361%0.61SS**Hα-helixtrans-79.4-42.1179.7-133.3-175-178.3-168.20111M1 H2 Q6 N7 E8M1-K4 PolarHBondContact O-N 2.6Å; H2-K4 VanDerWaalsContact C-N 3.26Å; H2-K4 PolarHBondContact O-N 3.17Å; K4-Q6 VanDerWaalsContact C-N 3.33Å; K4-Q6 PolarHBondContact O-N 3.38Å; K4-N7 PolarHBondContact O-N 2.98Å; K4-E8 PolarHBondContact O-N 3.46Å; K4-E8 VanDerWaalsContact O-N 3.15Å
5C72.8Confident77.4Confident68 Ų68120 Ų12046%0.45961%0.606SS.*Hα-helixtrans-64.3-38.5176.1-163.30000111.5M1 H2 E8 I9M1-C5 PolarHBondContact O-N 3.48Å; H2-C5 PolarHBondContact O-N 2.82Å; C5-E8 PolarHBondContact O-N 2.84Å; C5-I9 WeakPolarHBondContact O-CG1 3.4Å; C5-I9 PolarHBondContact O-N 3.14Å
6Q76.9Confident77.6Confident116 Ų116118.3 Ų118.354%0.54260%0.597SS.*Hα-helixtrans-68-39.2179.1-153.7154.9-300112.6H2 K4 I9 E10H2-Q6 PolarHBondContact O-N 3.47Å; H2-Q6 VanDerWaalsContact O-N 3.14Å; K4-Q6 VanDerWaalsContact C-N 3.33Å; K4-Q6 PolarHBondContact O-N 3.38Å; Q6-I9 PolarHBondContact O-N 2.92Å; Q6-E10 PolarHBondContact O-N 3.39Å
7N81.8Confident78.2Confident94 Ų94117.4 Ų117.450%0.50359%0.593SS.*Hα-helixtrans-65.6-36172.6-81.8-0.2000112.9T3 K4 Q11T3-N7 PolarHBondContact O-N 3.39Å; K4-N7 PolarHBondContact O-N 2.98Å; N7-Q11 WeakPolarHBondContact O-CG 3.31Å; N7-Q11 PolarHBondContact O-N 3.32Å
8E82.3Confident78.7Confident116 Ų116116.7 Ų116.754%0.54259%0.588SS.*Hα-helixtrans-66.3-41175.3-85.7173.616500111.9K4 C5 Q11 Q12K4-E8 PolarHBondContact O-N 3.46Å; K4-E8 VanDerWaalsContact O-N 3.15Å; C5-E8 PolarHBondContact O-N 2.84Å; E8-Q11 PolarHBondContact O-N 2.92Å; E8-Q12 WeakPolarHBondContact O-CG 3.45Å; E8-Q12 PolarHBondContact O-N 3.33Å
9I81.5Confident78.9Confident86 Ų86115.9 Ų115.944%0.44159%0.585SS.*Hα-helixtrans-63.5-44.8176.2-68.2168.4000110.9C5 Q6 Q11 Q12 Q13C5-I9 WeakPolarHBondContact O-CG1 3.4Å; C5-I9 PolarHBondContact O-N 3.14Å; Q6-I9 PolarHBondContact O-N 2.92Å; I9-Q11 VanDerWaalsContact C-N 3.34Å; I9-Q11 PolarHBondContact O-N 2.96Å; I9-Q12 PolarHBondContact O-N 2.9Å; I9-Q13 WeakPolarHBondContact O-CG 3.31Å; I9-Q13 PolarHBondContact O-N 2.87Å
10E85.4Confident78.9Confident115 Ų115116.2 Ų116.254%0.53758%0.584SS.*Hα-helixtrans-63.1-39.2177.1-77.2-177.6176.100112.1Q6 Q13 A14Q6-E10 PolarHBondContact O-N 3.39Å; E10-Q13 PolarHBondContact O-N 3.22Å; E10-A14 WeakPolarHBondContact O-CB 3.5Å; E10-A14 PolarHBondContact O-N 3.06Å
11Q86.1Confident79.1Confident145 Ų145117.4 Ų117.468%0.67859%0.585SS**Hα-helixtrans-64.4-41.7174.5-79.9-175.7-9.900112.5N7 E8 I9 A14 L15N7-Q11 WeakPolarHBondContact O-CG 3.31Å; N7-Q11 PolarHBondContact O-N 3.32Å; E8-Q11 PolarHBondContact O-N 2.92Å; I9-Q11 VanDerWaalsContact C-N 3.34Å; I9-Q11 PolarHBondContact O-N 2.96Å; Q11-A14 PolarHBondContact O-N 3.24Å; Q11-L15 WeakPolarHBondContact O-CB 3.33Å; Q11-L15 PolarHBondContact O-N 3.18Å
12Q84.6Confident80.4Confident130 Ų130110.5 Ų110.561%0.60755%0.553SS**Hα-helixtrans-66.5-41.1176.4-74.1-177.3-8.500111.9E8 I9 A14 L15 I16E8-Q12 WeakPolarHBondContact O-CG 3.45Å; E8-Q12 PolarHBondContact O-N 3.33Å; I9-Q12 PolarHBondContact O-N 2.9Å; Q12-A14 PolarHBondContact O-N 3.17Å; Q12-L15 PolarHBondContact O-N 2.95Å; Q12-I16 WeakPolarHBondContact O-CG1 3.42Å; Q12-I16 PolarHBondContact O-N 3.25Å
13Q84.7Confident81.2Confident116 Ų116108.2 Ų108.254%0.54255%0.545SS..Hα-helixtrans-62.3-42.4174.8-77.5-177.7-20.600112I9 E10 L15 I16 I17I9-Q13 WeakPolarHBondContact O-CG 3.31Å; I9-Q13 PolarHBondContact O-N 2.87Å; E10-Q13 PolarHBondContact O-N 3.22Å; Q13-L15 VanDerWaalsContact C-N 3.32Å; Q13-L15 PolarHBondContact O-N 2.92Å; Q13-I16 PolarHBondContact O-N 3.31Å; Q13-I17 WeakPolarHBondContact O-CG1 3.47Å; Q13-I17 PolarHBondContact O-N 3.41Å
14A87.6Confident81.9Confident61 Ų61107.8 Ų107.850%0.50454%0.543SS..Hα-helixtrans-61.8-40.817500000111.9E10 Q11 Q12 I17 Q18E10-A14 WeakPolarHBondContact O-CB 3.5Å; E10-A14 PolarHBondContact O-N 3.06Å; Q11-A14 PolarHBondContact O-N 3.24Å; Q12-A14 PolarHBondContact O-N 3.17Å; A14-I17 PolarHBondContact O-N 3.18Å; A14-Q18 WeakPolarHBondContact O-CB 3.23Å; A14-Q18 PolarHBondContact O-N 3.04Å
15L89Confident82.4Confident104 Ų104106.7 Ų106.755%0.54554%0.54SS..Hα-helixtrans-65-40.5176.5-172.865.3000112.2Q11 Q12 Q13 Q18 L19Q11-L15 WeakPolarHBondContact O-CB 3.33Å; Q11-L15 PolarHBondContact O-N 3.18Å; Q12-L15 PolarHBondContact O-N 2.95Å; Q13-L15 VanDerWaalsContact C-N 3.32Å; Q13-L15 PolarHBondContact O-N 2.92Å; L15-Q18 PolarHBondContact O-N 3.25Å; L15-L19 HydrophobicContact CG-CD1 4.2Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 2.84Å
16I81.4Confident82.9Confident92 Ų92110.7 Ų110.747%0.47255%0.55SS..Hα-helixtrans-61.7-46.1175.8-70.6166.1000110.9Q12 Q13 Q18 L19 Q20Q12-I16 WeakPolarHBondContact O-CG1 3.42Å; Q12-I16 PolarHBondContact O-N 3.25Å; Q13-I16 PolarHBondContact O-N 3.31Å; I16-Q18 VanDerWaalsContact C-N 3.29Å; I16-Q18 PolarHBondContact O-N 3.07Å; I16-L19 PolarHBondContact O-N 2.96Å; I16-Q20 WeakPolarHBondContact O-CG 3.17Å; I16-Q20 PolarHBondContact O-N 3.45Å
17I87.1Confident82.9Confident103 Ų103109.7 Ų109.753%0.52855%0.548SS..Hα-helixtrans-62.5-39.8178.4-67.7167.4000110.7Q13 A14 Q20 K21Q13-I17 WeakPolarHBondContact O-CG1 3.47Å; Q13-I17 PolarHBondContact O-N 3.41Å; A14-I17 PolarHBondContact O-N 3.18Å; I17-Q20 PolarHBondContact O-N 2.68Å; I17-K21 PolarHBondContact O-N 2.88Å; I17-K21 VanDerWaalsContact O-N 3.1Å
18Q88.2Confident82.7Confident106 Ų106112.1 Ų112.150%0.49555%0.554SS.*Hα-helixtrans-63.4-48.3176.3-171.766.635.300111.3A14 L15 I16 Q20 K21 D22A14-Q18 WeakPolarHBondContact O-CB 3.23Å; A14-Q18 PolarHBondContact O-N 3.04Å; L15-Q18 PolarHBondContact O-N 3.25Å; I16-Q18 VanDerWaalsContact C-N 3.29Å; I16-Q18 PolarHBondContact O-N 3.07Å; Q18-Q20 VanDerWaalsContact C-N 3.31Å; Q18-Q20 PolarHBondContact O-N 3.44Å; Q18-K21 WeakPolarHBondContact O-CB 3.4Å; Q18-K21 PolarHBondContact O-N 2.74Å; Q18-D22 PolarHBondContact O-N 3.35Å
19L81.1Confident82.7Confident102 Ų102113.4 Ų113.453%0.53455%0.554SS.*Hα-helixtrans-62.3-36.9177.7-72.7169.2000112.4L15 I16 D22 L23L15-L19 HydrophobicContact CG-CD1 4.2Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 2.84Å; I16-L19 PolarHBondContact O-N 2.96Å; L19-D22 PolarHBondContact O-N 3.32Å; L19-L23 WeakPolarHBondContact O-CB 3.38Å; L19-L23 PolarHBondContact O-N 3.12Å
20Q80Confident82.6Confident120 Ų120113.5 Ų113.556%0.56155%0.554SS**Hα-helixtrans-64-40.9174.5-77.2178.6-20.300112.1I16 I17 Q18 L23 V24I16-Q20 WeakPolarHBondContact O-CG 3.17Å; I16-Q20 PolarHBondContact O-N 3.45Å; I17-Q20 PolarHBondContact O-N 2.68Å; Q18-Q20 VanDerWaalsContact C-N 3.31Å; Q18-Q20 PolarHBondContact O-N 3.44Å; Q20-L23 PolarHBondContact O-N 2.72Å; Q20-V24 WeakPolarHBondContact O-CG2 3.36Å; Q20-V24 PolarHBondContact O-N 2.91Å; Q20-V24 VanDerWaalsContact O-N 3.14Å
21K82.7Confident82Confident142 Ų142110.9 Ų110.962%0.61755%0.549SS*.Hα-helixtrans-62.7-47.3173.9-94-175173.8177.40111.9I17 Q18 L23 V24 E25I17-K21 PolarHBondContact O-N 2.88Å; I17-K21 VanDerWaalsContact O-N 3.1Å; Q18-K21 WeakPolarHBondContact O-CB 3.4Å; Q18-K21 PolarHBondContact O-N 2.74Å; K21-L23 VanDerWaalsContact C-N 3.26Å; K21-L23 PolarHBondContact O-N 2.88Å; K21-V24 PolarHBondContact O-N 2.82Å; K21-E25 PolarHBondContact O-N 2.81Å
22D82.9Confident81.5Confident69 Ų69108.5 Ų108.537%0.36954%0.538SS..Hα-helixtrans-60.6-37.9179-73.53.2000111.4Q18 L19 E25 K26Q18-D22 PolarHBondContact O-N 3.35Å; L19-D22 PolarHBondContact O-N 3.32Å; D22-E25 PolarHBondContact O-N 2.8Å; D22-K26 WeakPolarHBondContact O-CB 3.47Å; D22-K26 WeakPolarHBondContact O-CG 3.42Å; D22-K26 PolarHBondContact O-N 3.1Å
23L73.4Confident81.1Confident114 Ų114106.7 Ų106.760%0.59753%0.532SS*.Hα-helixtrans-63.9-44.7176.3-158.592.2000111.9L19 Q20 K21 E25 K26 N27L19-L23 WeakPolarHBondContact O-CB 3.38Å; L19-L23 PolarHBondContact O-N 3.12Å; Q20-L23 PolarHBondContact O-N 2.72Å; K21-L23 VanDerWaalsContact C-N 3.26Å; K21-L23 PolarHBondContact O-N 2.88Å; L23-E25 VanDerWaalsContact C-N 3.34Å; L23-K26 PolarHBondContact O-N 2.7Å; L23-N27 WeakPolarHBondContact O-CB 3.27Å; L23-N27 PolarHBondContact O-N 3.42Å; L23-N27 PolarHBondContact O-ND2 3.47Å
24V81.4Confident80.6Confident101 Ų101102.2 Ų102.261%0.61251%0.513SS*.Hα-helixtrans-63.1-41.9177.6171.30000110.9Q20 K21 N27 K28Q20-V24 WeakPolarHBondContact O-CG2 3.36Å; Q20-V24 PolarHBondContact O-N 2.91Å; Q20-V24 VanDerWaalsContact O-N 3.14Å; K21-V24 PolarHBondContact O-N 2.82Å; V24-N27 PolarHBondContact O-N 3.06Å; V24-K28 PolarHBondContact O-N 2.56Å
25E79.1Confident79.9Confident140 Ų140101.3 Ų101.365%0.65451%0.51SS*.Hα-helixtrans-67.6-42.1179.2-168.6165.6-168.700112.1K21 D22 L23 K28 R29K21-E25 PolarHBondContact O-N 2.81Å; D22-E25 PolarHBondContact O-N 2.8Å; L23-E25 VanDerWaalsContact C-N 3.34Å; E25-K28 WeakPolarHBondContact O-CB 3.2Å; E25-K28 PolarHBondContact O-N 2.96Å; E25-R29 PolarHBondContact O-N 3.25Å
26K83.1Confident79.3Confident152 Ų152100.3 Ų100.366%0.66151%0.505SS*.Hα-helixtrans-62.7-42.7173.4-76.5-168.1178.6-172.50112.4D22 L23 K28 R29 I30D22-K26 WeakPolarHBondContact O-CB 3.47Å; D22-K26 WeakPolarHBondContact O-CG 3.42Å; D22-K26 PolarHBondContact O-N 3.1Å; L23-K26 PolarHBondContact O-N 2.7Å; K26-K28 VanDerWaalsContact C-N 3.31Å; K26-K28 PolarHBondContact O-N 3.23Å; K26-R29 PolarHBondContact O-N 3Å; K26-R29 VanDerWaalsContact O-N 3.16Å; K26-I30 WeakPolarHBondContact O-CG1 3.31Å; K26-I30 PolarHBondContact O-N 3.45Å
27N77.1Confident78.9Confident96 Ų96101 Ų10151%0.51351%0.508SS..Hα-helixtrans-61.9-39.6176-77-20.8000111.9L23 V24 R29 I30 S31L23-N27 WeakPolarHBondContact O-CB 3.27Å; L23-N27 PolarHBondContact O-N 3.42Å; L23-N27 PolarHBondContact O-ND2 3.47Å; V24-N27 PolarHBondContact O-N 3.06Å; N27-R29 VanDerWaalsContact C-N 3.34Å; N27-R29 PolarHBondContact O-N 3.35Å; N27-I30 PolarHBondContact O-N 2.91Å; N27-S31 PolarHBondContact O-N 3.04Å
28K78.4Confident78.1Confident145 Ų14599.2 Ų99.263%0.6350%0.5SS*.Hα-helixtrans-62.3-42.2174.1-163-179.8-178.7-175.50111.5V24 E25 K26 S31 E32V24-K28 PolarHBondContact O-N 2.56Å; E25-K28 WeakPolarHBondContact O-CB 3.2Å; E25-K28 PolarHBondContact O-N 2.96Å; K26-K28 VanDerWaalsContact C-N 3.31Å; K26-K28 PolarHBondContact O-N 3.23Å; K28-S31 WeakPolarHBondContact O-CB 3.37Å; K28-S31 PolarHBondContact O-N 3.48Å; K28-E32 PolarHBondContact O-N 3.06Å
29R82.9Confident77.3Confident143 Ų143101.3 Ų101.354%0.5451%0.508SS..Hα-helixtrans-66.8-38.3177.6-169.858.3172.8177-1.3113.2E25 K26 N27 S31 E32 L33E25-R29 PolarHBondContact O-N 3.25Å; K26-R29 PolarHBondContact O-N 3Å; K26-R29 VanDerWaalsContact O-N 3.16Å; N27-R29 VanDerWaalsContact C-N 3.34Å; N27-R29 PolarHBondContact O-N 3.35Å; R29-S31 VanDerWaalsContact C-N 3.32Å; R29-E32 IonicContact CZ-OE2 3.43Å; R29-E32 IonicContact NH1-OE2 3.27Å; R29-E32 PolarHBondContact NH1-OE2 3.48Å; R29-E32 PolarHBondContact O-N 3.03Å; R29-L33 HydrophobicContact CG-CD1 4.29Å; R29-L33 WeakPolarHBondContact O-CG 3.29Å; R29-L33 PolarHBondContact O-N 3.11Å
30I78.9Confident76.9Confident87 Ų87104.5 Ų104.545%0.44651%0.514SS..Hα-helixtrans-62.6-41.3174.3-71.1167.3000110.5K26 N27 L33 S34K26-I30 WeakPolarHBondContact O-CG1 3.31Å; K26-I30 PolarHBondContact O-N 3.45Å; N27-I30 PolarHBondContact O-N 2.91Å; I30-L33 PolarHBondContact O-N 2.94Å; I30-S34 WeakPolarHBondContact O-CB 3.34Å; I30-S34 PolarHBondContact O-N 3.26Å; I30-S34 PolarHBondContact O-OG 2.75Å
31S72Confident76.3Confident60 Ų60103.7 Ų103.742%0.4251%0.51SS..Hα-helixtrans-63.4-44.9176.4-1710000112.2N27 K28 R29 L33 S34 G35N27-S31 PolarHBondContact O-N 3.04Å; K28-S31 WeakPolarHBondContact O-CB 3.37Å; K28-S31 PolarHBondContact O-N 3.48Å; R29-S31 VanDerWaalsContact C-N 3.32Å; S31-L33 PolarHBondContact O-N 2.61Å; S31-S34 PolarHBondContact O-N 3.46Å; S31-G35 PolarHBondContact O-N 2.66Å
32E76.1Confident75.2Confident96 Ų9699.9 Ų99.945%0.44950%0.501SS..Hα-helixtrans-59.5-44.9174.4-76.3179.1173.300112.9K28 R29 L36K28-E32 PolarHBondContact O-N 3.06Å; R29-E32 IonicContact CZ-OE2 3.43Å; R29-E32 IonicContact NH1-OE2 3.27Å; R29-E32 PolarHBondContact NH1-OE2 3.48Å; R29-E32 PolarHBondContact O-N 3.03Å; E32-L36 PolarHBondContact O-N 3.3Å; E32-L36 VanDerWaalsContact O-N 3.1Å
33L76Confident74.4Confident92 Ų92100.6 Ų100.648%0.48251%0.508SS..Hα-helixtrans-68-37.5-179.9-73.4170.7000112R29 I30 S31 L36 L37R29-L33 HydrophobicContact CG-CD1 4.29Å; R29-L33 WeakPolarHBondContact O-CG 3.29Å; R29-L33 PolarHBondContact O-N 3.11Å; I30-L33 PolarHBondContact O-N 2.94Å; S31-L33 PolarHBondContact O-N 2.61Å; L33-L36 PolarHBondContact O-N 2.88Å; L33-L37 PolarHBondContact O-N 3Å
34S74.5Confident73.8Confident22 Ų22101.4 Ų101.415%0.15451%0.507CS..Hα-helixtrans-64.1-46.2176.4-570000111I30 S31 L36 L37 D38I30-S34 WeakPolarHBondContact O-CB 3.34Å; I30-S34 PolarHBondContact O-N 3.26Å; I30-S34 PolarHBondContact O-OG 2.75Å; S31-S34 PolarHBondContact O-N 3.46Å; S34-L36 VanDerWaalsContact C-N 3.29Å; S34-L36 PolarHBondContact O-N 3.24Å; S34-L37 WeakPolarHBondContact O-CB 3.41Å; S34-L37 PolarHBondContact O-N 3.17Å; S34-D38 PolarHBondContact O-N 2.82Å
35G72.9Confident72.4Confident41 Ų41101.6 Ų101.642%0.42350%0.504SS..Hα-helixtrans-63-33.2176.200000113.6S31 K39S31-G35 PolarHBondContact O-N 2.66Å; G35-K39 WeakPolarHBondContact O-CB 3.36Å; G35-K39 PolarHBondContact O-N 3.45Å
36L76Confident70.9Confident84 Ų84101 Ų10144%0.4450%0.501SS..Hα-helixtrans-66.5-42.5170.6-88.6160.8000111.8E32 L33 S34 K39 Y40E32-L36 PolarHBondContact O-N 3.3Å; E32-L36 VanDerWaalsContact O-N 3.1Å; L33-L36 PolarHBondContact O-N 2.88Å; S34-L36 VanDerWaalsContact C-N 3.29Å; S34-L36 PolarHBondContact O-N 3.24Å; L36-K39 PolarHBondContact O-N 3.14Å; L36-Y40 HydrophobicContact CD2-CE2 4.08Å; L36-Y40 WeakPolarHBondContact O-CD2 3.16Å; L36-Y40 PolarHBondContact O-N 3.08Å
37L73Confident69.1Low105 Ų10596.9 Ų96.955%0.5549%0.492SS..Hα-helixtrans-61.4-47.2179.6-156.891.3000111.5L33 S34 K39 Y40 Q41L33-L37 PolarHBondContact O-N 3Å; S34-L37 WeakPolarHBondContact O-CB 3.41Å; S34-L37 PolarHBondContact O-N 3.17Å; L37-K39 VanDerWaalsContact C-N 3.31Å; L37-K39 PolarHBondContact O-N 2.86Å; L37-Y40 PolarHBondContact O-N 3.14Å; L37-Y40 VanDerWaalsContact O-N 3.15Å; L37-Q41 PolarHBondContact O-N 2.72Å
38D69.7Low67.5Low67 Ų6798.3 Ų98.336%0.35850%0.496SS..Hα-helixtrans-61.8-40.8177.3-76.6-28.6000111.6S34 Y40 Q41 S42S34-D38 PolarHBondContact O-N 2.82Å; D38-Y40 VanDerWaalsContact C-N 3.32Å; D38-Y40 PolarHBondContact O-N 2.78Å; D38-Q41 PolarHBondContact O-N 3.09Å; D38-S42 VanDerWaalsContact O-CB 3.26Å; D38-S42 WeakPolarHBondContact O-CB 3.34Å; D38-S42 PolarHBondContact O-N 2.94Å
39K71.6Confident65.5Low150 Ų15095.7 Ų95.765%0.65250%0.495SS*.Hα-helixtrans-61.1-41.9175.5-163.3177.9-175.4179.20111.5G35 L36 L37 V43G35-K39 WeakPolarHBondContact O-CB 3.36Å; G35-K39 PolarHBondContact O-N 3.45Å; L36-K39 PolarHBondContact O-N 3.14Å; L37-K39 VanDerWaalsContact C-N 3.31Å; L37-K39 PolarHBondContact O-N 2.86Å; K39-V43 VanDerWaalsContact O-CG2 3.28Å; K39-V43 WeakPolarHBondContact O-CG2 3.26Å; K39-V43 PolarHBondContact O-N 3.24Å
40Y72.9Confident63.2Low169 Ų16996.3 Ų96.366%0.66351%0.509SS*.Hα-helixtrans-70.7-40.2176.4-78.2-64.2000112.7L36 L37 D38 V43 F44L36-Y40 HydrophobicContact CD2-CE2 4.08Å; L36-Y40 WeakPolarHBondContact O-CD2 3.16Å; L36-Y40 PolarHBondContact O-N 3.08Å; L37-Y40 PolarHBondContact O-N 3.14Å; L37-Y40 VanDerWaalsContact O-N 3.15Å; D38-Y40 VanDerWaalsContact C-N 3.32Å; D38-Y40 PolarHBondContact O-N 2.78Å; Y40-V43 PolarHBondContact O-N 2.97Å; Y40-F44 WeakPolarHBondContact O-CB 3.32Å; Y40-F44 PolarHBondContact O-N 3.14Å
41Q68.4Low60.9Low102 Ų10296.1 Ų96.148%0.47752%0.515SS..Hα-helixtrans-66-38.4176.7-81.6176.7-26.400112.4L37 D38 F44 N45L37-Q41 PolarHBondContact O-N 2.72Å; D38-Q41 PolarHBondContact O-N 3.09Å; Q41-F44 PolarHBondContact O-N 2.92Å; Q41-N45 WeakPolarHBondContact O-CB 3.48Å; Q41-N45 VanDerWaalsContact O-CG 3.3Å; Q41-N45 PolarHBondContact O-N 3.23Å; Q41-N45 PolarHBondContact O-ND2 3.38Å
42S60.1Low58.8Low62 Ų6299.1 Ų99.143%0.43453%0.531SS..Hα-helixtrans-59.3-47.4173167.10000111.9D38 F44 N45 Q46D38-S42 VanDerWaalsContact O-CB 3.26Å; D38-S42 WeakPolarHBondContact O-CB 3.34Å; D38-S42 PolarHBondContact O-N 2.94Å; S42-F44 VanDerWaalsContact C-N 3.33Å; S42-F44 PolarHBondContact O-N 3.39Å; S42-N45 PolarHBondContact O-N 3.03Å; S42-Q46 WeakPolarHBondContact O-CG 2.9Å; S42-Q46 PolarHBondContact O-N 2.95Å
43V66Low56.6Low84 Ų84100.2 Ų100.251%0.50955%0.547SS..Hα-helixtrans-65-38.1176.5173.70000111.2K39 Y40 S47K39-V43 VanDerWaalsContact O-CG2 3.28Å; K39-V43 WeakPolarHBondContact O-CG2 3.26Å; K39-V43 PolarHBondContact O-N 3.24Å; Y40-V43 PolarHBondContact O-N 2.97Å; V43-S47 PolarHBondContact O-N 2.75Å; V43-S47 VanDerWaalsContact O-N 3.09Å; V43-S47 PolarHBondContact O-OG 2.76Å
44F59.7Low54.2Low131 Ų131102.7 Ų102.758%0.57557%0.565SS**Hα-helixtrans-68.3-39.1178.2-156.1-92.6000112.5Y40 Q41 S42 S47 Q48Y40-F44 WeakPolarHBondContact O-CB 3.32Å; Y40-F44 PolarHBondContact O-N 3.14Å; Q41-F44 PolarHBondContact O-N 2.92Å; S42-F44 VanDerWaalsContact C-N 3.33Å; S42-F44 PolarHBondContact O-N 3.39Å; F44-S47 VanDerWaalsContact CA-OG 3.32Å; F44-S47 WeakPolarHBondContact CA-OG 3.39Å; F44-S47 PolarHBondContact O-N 3.33Å; F44-S47 PolarHBondContact O-OG 2.94Å; F44-Q48 PolarHBondContact O-N 2.89Å; F44-Q48 VanDerWaalsContact O-N 3.11Å
45N51.4Low52.2Low106 Ų106108 Ų10857%0.56760%0.596SS**Hα-helixtrans-72.1-36.8177.3-73-21.1000112.3Q41 S42 S47 Q48 S49Q41-N45 WeakPolarHBondContact O-CB 3.48Å; Q41-N45 VanDerWaalsContact O-CG 3.3Å; Q41-N45 PolarHBondContact O-N 3.23Å; Q41-N45 PolarHBondContact O-ND2 3.38Å; S42-N45 PolarHBondContact O-N 3.03Å; N45-S47 VanDerWaalsContact C-N 3.3Å; N45-S47 PolarHBondContact O-N 2.75Å; N45-Q48 PolarHBondContact O-N 2.94Å; N45-S49 PolarHBondContact O-N 3.07Å
46Q48.6Very low50Low126 Ų126110 Ų11059%0.58961%0.61SS**Hα-helixtrans-63.6-36.9172.1-77.9-175.92.300111.8S42 S49S42-Q46 WeakPolarHBondContact O-CG 2.9Å; S42-Q46 PolarHBondContact O-N 2.95Å; Q46-S49 PolarHBondContact O-N 3.35Å; Q46-S49 PolarHBondContact O-OG 2.94Å
47S44.3Very low47.8Very low66 Ų66114.2 Ų114.246%0.46263%0.631SS.*Hα-helixtrans-74-25.8178.138.30000113.8V43 F44 N45V43-S47 PolarHBondContact O-N 2.75Å; V43-S47 VanDerWaalsContact O-N 3.09Å; V43-S47 PolarHBondContact O-OG 2.76Å; F44-S47 VanDerWaalsContact CA-OG 3.32Å; F44-S47 WeakPolarHBondContact CA-OG 3.39Å; F44-S47 PolarHBondContact O-N 3.33Å; F44-S47 PolarHBondContact O-OG 2.94Å; N45-S47 VanDerWaalsContact C-N 3.3Å; N45-S47 PolarHBondContact O-N 2.75Å
48Q43.4Very low45.6Very low127 Ų127119.2 Ų119.259%0.59365%0.648SS**Hα-helixtrans-76-28.2169.2-78.5-153.4-4.300114F44 N45 L50 S51F44-Q48 PolarHBondContact O-N 2.89Å; F44-Q48 VanDerWaalsContact O-N 3.11Å; N45-Q48 PolarHBondContact O-N 2.94Å; Q48-L50 PolarHBondContact O-N 2.79Å; Q48-S51 PolarHBondContact O-N 2.76Å; Q48-S51 PolarHBondContact O-OG 2.87Å; Q48-S51 VanDerWaalsContact O-OG 3.11Å
49S37.9Very low43.7Very low89 Ų89119.5 Ų119.562%0.62267%0.667SS**Hα-helixtrans-69.5-13.4175.972.10000114N45 Q46N45-S49 PolarHBondContact O-N 3.07Å; Q46-S49 PolarHBondContact O-N 3.35Å; Q46-S49 PolarHBondContact O-OG 2.94Å
50L34.5Very low41.5Very low156 Ų156121.8 Ų121.882%0.81768%0.68SS**THydrogen-bonded Turntrans-95.47.1176.6-79.8156.2000113.9Q48Q48-L50 PolarHBondContact O-N 2.79Å
51S29.8Very low39.4Very low84 Ų84121.9 Ų121.959%0.58769%0.69SS**  trans-119.780173.960.10000111.4Q48Q48-S51 PolarHBondContact O-N 2.76Å; Q48-S51 PolarHBondContact O-OG 2.87Å; Q48-S51 VanDerWaalsContact O-OG 3.11Å
52T28.7Very low37.5Very low123 Ų123125.5 Ų125.576%0.75571%0.707SS**  trans-119134.9155.436.20000109.4
53P29.3Very low35.8Very low119 Ų119128.5 Ų128.577%0.77373%0.725SS**  trans-73.9133.2179.8-1.316.7000110.5T55P53-T55 PolarHBondContact O-N 2.89Å; P53-T55 VanDerWaalsContact O-N 3.15Å
54V26.5Very low34.1Very low143 Ų143133.6 Ų133.687%0.86774%0.743SS**  trans-53.9111.3168.9176.10000109.9
55T30.9Very low32.4Very low133 Ų133136.1 Ų136.182%0.81676%0.757SS**  trans-145.9116.3151.7-11.60000112.7P53P53-T55 PolarHBondContact O-N 2.89Å; P53-T55 VanDerWaalsContact O-N 3.15Å
56A27.9Very low31.3Very low85 Ų85136.9 Ų136.970%0.70277%0.766SS**  trans-24.7130.9172.400000119
57I29.5Very low30.3Very low172 Ų172140.2 Ų140.288%0.88278%0.778SS**  trans-131.1115.9134.1-63.4-176.3000108.4
58K26Very low29.3Very low210 Ų210146.2 Ų146.291%0.91380%0.799SS**  trans-74.3127.7164.6-79.1176.4172.11770108.4
59G30Very low28.5Very low73 Ų73151.7 Ų151.775%0.75381%0.814SS**  trans-164.795.917000000110.4
60Q25.8Very low27.9Very low197 Ų197153.4 Ų153.492%0.92182%0.823SS**  trans-65.6121.8175.1-67.5168.4-56.500110.6
61I28.4Very low27.3Very low171 Ų171154.7 Ų154.788%0.87783%0.83SS**  trans-143.5135.6147.3-59.5-173.4000108.7
62Q28.1Very low27.2Very low178 Ų178154.3 Ų154.383%0.83284%0.839SS**  trans-63.8158.8-170.3-70.7165.8-8.700115.3
63P26.3Very low26.9Very low125 Ų125153.5 Ų153.581%0.81284%0.839SS**  trans-83122.3174.932.9-29.2000110.9
64Q29Very low26.9Very low191 Ų191155.3 Ų155.389%0.89384%0.842SS**  trans-88.3115.8160.8-87.5-173.8-12.400109.9
65Q23.6Very low26.8Very low185 Ų185155.2 Ų155.286%0.86484%0.836SS**  trans-66.8125.9158.3-68.8173.3-21.300109.3
66T28.4Very low26.3Very low122 Ų122155.2 Ų155.275%0.74884%0.836SS**  trans-160.2108.7144.2290000112.2
67K28.5Very low26.1Very low195 Ų195157.7 Ų157.785%0.84884%0.842SS**  trans57.7104.6132.2-67-176175.8-179.50119.9
68E23.5Very low25.8Very low193 Ų193158.5 Ų158.590%0.90284%0.84SS**  trans-37.4135.8142.5-60.6174157.500113
69R26.4Very low25.5Very low241 Ų241151.9 Ų151.991%0.90983%0.831SS**  trans-123.5133.7153.1-79.3-171.3-170.8-168.93.4108.2
70P25.1Very low25.2Very low125 Ų125158.3 Ų158.381%0.81284%0.838SS**  trans-83.3162.4174.834.4-31.9000111.5
71L22.3Very low25Very low183 Ų183153 Ų15396%0.95884%0.837SS**  trans-48.1136.8177.7-7882.2000113.2
72G27.2Very low24.8Very low77 Ų77148 Ų14879%0.79483%0.827SS**  trans-123.1113.1161.600000109
73S22.9Very low24.6Very low106 Ų106147.7 Ų147.774%0.74183%0.831SS**  trans-60.1138.6167.342.70000112.1
74N28.7Very low24.5Very low156 Ų156149 Ų14983%0.83483%0.831SS**  trans-166.6104.5138.8-92.2-14.1000109.3
75D23.7Very low24.3Very low141 Ų141148.3 Ų148.375%0.75483%0.828SS**  trans0.5123.4145.1-53.4-40.3000116.9
76V21.5Very low24.3Very low134 Ų134148.4 Ų148.481%0.81283%0.828SS**  -160.6103.988.3-179.10000107
77V23Very low24.2Very low137 Ų137150.6 Ų150.683%0.8383%0.83SS**  trans-109.4124.8171.5172.90000108.1G79V77-G79 PolarHBondContact O-N 2.78Å
78F23.4Very low24.1Very low189 Ų189148.1 Ų148.183%0.82983%0.825SS**  trans-57.6118.4168.8-87.6-92.6000110F80F78-F80 PolarHBondContact O-N 3.38Å
79G20.3Very low24.5Very low70 Ų70145.9 Ų145.972%0.72281%0.814SS**  trans-77.3104.6173.200000111.1V77V77-G79 PolarHBondContact O-N 2.78Å
80F24.1Very low24.6Very low209 Ų209139.2 Ų139.292%0.91780%0.797SS**  trans-121.985.9143.2-85-79.3000107.6F78 G82F78-F80 PolarHBondContact O-N 3.38Å; F80-G82 PolarHBondContact O-N 3.02Å
81G21.3Very low25.1Very low86 Ų86138.4 Ų138.489%0.88779%0.785SS**  trans-87.886168.400000109.6
82G23.5Very low25.7Very low65 Ų65132.1 Ų132.167%0.6775%0.754SS**  trans-97.5121.7152.700000107.5F80 D84F80-G82 PolarHBondContact O-N 3.02Å; G82-D84 PolarHBondContact O-N 2.82Å
83N23.3Very low26.6Very low172 Ų172132.2 Ų132.292%0.9274%0.739SS**  trans-6385.7169.9-90-21.4000109.4
84D24.4Very low27.8Very low152 Ų152132.2 Ų132.281%0.81373%0.728SS**  trans-97.8105.1157.5-82.9-29.1000107.4G82 Q86G82-D84 PolarHBondContact O-N 2.82Å; D84-Q86 PolarHBondContact O-N 2.59Å; D84-Q86 VanDerWaalsContact O-N 3.12Å
85Q24.7Very low29.1Very low176 Ų176129.5 Ų129.582%0.82272%0.717SS**  trans-50.9120.5162.8-78.8177.7-18.500107.6H87Q85-H87 PolarHBondContact O-N 3.46Å
86Q25.1Very low31.5Very low187 Ų187123.9 Ų123.987%0.87469%0.685SS**  trans-53.491.4167.9-72.4175-18.100108.7D84 L88D84-Q86 PolarHBondContact O-N 2.59Å; D84-Q86 VanDerWaalsContact O-N 3.12Å; Q86-L88 PolarHBondContact O-N 2.95Å; Q86-L88 VanDerWaalsContact O-N 3.09Å
87H25.7Very low34.1Very low169 Ų169126.1 Ų126.178%0.78268%0.684SS**  trans-67104.7156.6-97.2-65.3000105.8Q85 H89Q85-H87 PolarHBondContact O-N 3.46Å; H87-H89 VanDerWaalsContact C-N 3.26Å; H87-H89 PolarHBondContact O-N 2.99Å
88L25.6Very low37Very low142 Ų142124.4 Ų124.474%0.74366%0.662SS**  trans-46.1103.9150.2-119.184.2000105.5Q86 D90Q86-L88 PolarHBondContact O-N 2.95Å; Q86-L88 VanDerWaalsContact O-N 3.09Å; L88-D90 PolarHBondContact O-N 3.07Å
89H32.1Very low39.4Very low146 Ų146115.9 Ų115.968%0.67663%0.628SS**  trans-74.683.3168.1-130-45.3000105.2H87 L91H87-H89 VanDerWaalsContact C-N 3.26Å; H87-H89 PolarHBondContact O-N 2.99Å; H89-L91 PolarHBondContact O-N 2.65Å
90D28.2Very low42.1Very low101 Ų101118.9 Ų118.954%0.5463%0.626SS.*  trans-55.9125.3156.6-88-22.1000106L88 T92L88-D90 PolarHBondContact O-N 3.07Å; D90-T92 PolarHBondContact O-N 3.03Å
91L35.9Very low44.3Very low109 Ų109110 Ų11057%0.57159%0.593SS**  trans-67.373177-73.4158.1000108.2H89 V93H89-L91 PolarHBondContact O-N 2.65Å; L91-V93 PolarHBondContact O-N 3.2Å
92T36.2Very low47.2Very low51 Ų51107.9 Ų107.931%0.31356%0.561SS.*  trans-47.3131.2149.137.90000106.5D90 Q94D90-T92 PolarHBondContact O-N 3.03Å; T92-Q94 PolarHBondContact O-N 2.69Å
93V44.3Very low49.8Very low79 Ų79105.5 Ų105.548%0.47954%0.535SS..  trans-63.380.1175.4-178.20000107.4L91 T95 Y499L91-V93 PolarHBondContact O-N 3.2Å; V93-T95 HydrophobicContact CG1-CG2 4.45Å; V93-T95 PolarHBondContact O-N 2.75Å; V93-Y499 HydrophobicContact CG1-CD1 3.65Å; V93-Y499 HydrophobicContact CG1-CE1 3.79Å
94Q49.2Very low52.2Low105 Ų10597.6 Ų97.649%0.49149%0.493SS..  trans-73.5109.7168.5-77.6-174.4-7.900104.8T92 R96 L600T92-Q94 PolarHBondContact O-N 2.69Å; Q94-R96 PolarHBondContact O-N 2.76Å; Q94-L600 HydrophobicContact CB-CD1 4.34Å
95T55.7Low54.4Low99 Ų9994.4 Ų94.461%0.60747%0.473SS*.  trans-75.4111.6170.647.10000107.7V93V93-T95 HydrophobicContact CG1-CG2 4.45Å; V93-T95 PolarHBondContact O-N 2.75Å
96R74.3Confident56.4Low23 Ų2387.5 Ų87.59%0.08744%0.444CS..PPolyproline II helixtrans-50.3137.7173.2-161.9-167.2165.6-136-12.3110.3Q94 E533 E595 L600Q94-R96 PolarHBondContact O-N 2.76Å; R96-E533 IonicContact CZ-OE1 3.62Å; R96-E533 IonicContact NH1-OE1 3.19Å; R96-E533 PolarHBondContact NH1-OE1 3.18Å; R96-E533 VanDerWaalsContact NH1-OE1 3.16Å; R96-E533 IonicContact NH1-OE2 3.79Å; R96-E533 PolarHBondContact NH1-OE2 2.77Å; R96-E533 IonicContact NH2-OE1 3.15Å; R96-E595 WeakPolarHBondContact CD-OE1 3.49Å; R96-E595 IonicContact CZ-OE1 2.76Å; R96-E595 IonicContact CZ-OE2 3.62Å; R96-E595 IonicContact NE-OE1 3.53Å; R96-E595 PolarHBondContact NE-OE1 3.49Å; R96-E595 IonicContact NE-OE2 3.87Å; R96-E595 IonicContact NH1-OE1 3.92Å; R96-E595 PolarHBondContact NH1-OE1 2.9Å; R96-E595 IonicContact NH1-OE2 2.78Å; R96-E595 PolarHBondContact NH1-OE2 3.1Å; R96-L600 HydrophobicContact CB-CD2 3.91Å; R96-L600 HydrophobicContact CG-CD2 4.39Å
97K76.2Confident58.6Low181 Ų18181 Ų8179%0.78741%0.413SS*.PPolyproline II helixtrans-76.4154167.5-70.5-176.3179.81790109.9G99K97-G99 PolarHBondContact O-N 3.2Å
98R83.1Confident60.7Low101 Ų10177 Ų7738%0.38140%0.398SS..PPolyproline II helixtrans-58.4127174.2-166.2177.6178.6123.21.4109.6E490 W492 E533R98-E490 IonicContact CZ-OE1 3.98Å; R98-E490 IonicContact CZ-OE2 2.69Å; R98-E490 IonicContact NH1-OE1 3.1Å; R98-E490 PolarHBondContact NH1-OE1 3.04Å; R98-E490 IonicContact NH1-OE2 3.62Å; R98-E490 PolarHBondContact NH1-OE2 3.29Å; R98-E490 IonicContact NH2-OE1 3.79Å; R98-E490 PolarHBondContact NH2-OE1 3.5Å; R98-E490 IonicContact NH2-OE2 3.68Å; R98-E490 PolarHBondContact NH2-OE2 3.3Å; R98-W492 HydrophobicContact CB-CH2 4.48Å; R98-W492 HydrophobicContact CB-CZ2 4.09Å; R98-E533 HydrophobicContact CG-CG 3.75Å
99G74Confident62.8Low10 Ų1073.9 Ų73.910%0.10338%0.379CS..PPolyproline II helixtrans-74.7127.7179.600000111.8K97 K531 E533K97-G99 PolarHBondContact O-N 3.2Å; G99-K531 PolarHBondContact O-NZ 3.26Å; G99-E533 PolarHBondContact N-OE1 2.94Å
100I77.5Confident64.8Low134 Ų13472.4 Ų72.469%0.68738%0.376SS*.PPolyproline II helixtrans-102.6123.9178.2-59.9175.2000108.3
101G71.3Confident67.1Low22 Ų2273.7 Ų73.723%0.22738%0.379CS..PPolyproline II helixtrans-71.3138.1173.200000110.4
102I81.3Confident69Low41 Ų4168.9 Ų68.921%0.2135%0.354CS..EExtended strand (participates in β ladder)trans-112.6149.517355.6179.3000108.8F563 C564 G565 P567 M570 Y612I102-F563 HydrophobicContact CD1-CD1 4.46Å; I102-F563 HydrophobicContact CD1-CE1 3.55Å; I102-F563 HydrophobicContact CD1-CZ 4.28Å; I102-F563 HydrophobicContact CG1-CE1 4.23Å; I102-C564 CarbonylContact O-C 3.48Å; I102-C564 WeakPolarHBondContact O-CA 3.24Å; I102-C564 WeakPolarHBondContact O-CB 3.42Å; I102-G565 VanDerWaalsContact CG1-O 3.25Å; I102-G565 WeakPolarHBondContact CG1-O 3.34Å; I102-G565 PolarHBondContact N-O 3.18Å; I102-G565 PolarHBondContact O-N 3.02Å; I102-P567 HydrophobicContact CD1-CG 4.17Å; I102-M570 HydrophobicContact CD1-CE 4.39Å; I102-M570 HydrophobicContact CG1-CE 4.17Å; I102-Y612 VanDerWaalsContact CD1-OH 3.31Å; I102-Y612 WeakPolarHBondContact CD1-OH 3.38Å
103S77.3Confident70.8Confident16 Ų1670.9 Ų70.911%0.11236%0.36CS..EExtended strand (participates in β ladder)trans-144.9134.4174-173.50000110.9N210 H450 F563 C564S103-N210 PolarHBondContact O-ND2 3.49Å; S103-H450 PolarHBondContact OG-CE1 2.84Å; S103-H450 VanDerWaalsContact OG-CE1 3.23Å; S103-F563 CarbonylContact C-O 3.49Å; S103-F563 WeakPolarHBondContact CA-O 3.4Å; S103-C564 WeakPolarHBondContact OG-CB 3.39Å
104A75Confident72.6Confident5 Ų571.3 Ų71.34%0.04137%0.366CS..PPolyproline II helixtrans-76.7168.9163.100000111.5N210 T562 F563A104-N210 WeakPolarHBondContact CA-ND2 3.2Å; A104-N210 HydrophobicContact CB-CB 4.15Å; A104-T562 HydrophobicContact CB-CG2 4.48Å; A104-T562 WeakPolarHBondContact O-CG2 3.27Å; A104-F563 HydrophobicContact CB-CB 4.16Å; A104-F563 PolarHBondContact N-O 2.74Å
105E70.7Confident74.1Confident85 Ų8569.2 Ų69.240%0.39736%0.355SS..PPolyproline II helixtrans-61138.5168.7-64.6176.7-154.400109.5K446E105-K446 HydrophobicContact CG-CB 4.31Å; E105-K446 HydrophobicContact CG-CD 4.05Å; E105-K446 WeakPolarHBondContact OE1-CD 3.43Å; E105-K446 IonicContact OE1-NZ 3.74Å; E105-K446 PolarHBondContact OE1-NZ 3.04Å; E105-K446 WeakPolarHBondContact OE2-CD 3.31Å; E105-K446 IonicContact OE2-NZ 2.92Å; E105-K446 PolarHBondContact OE2-NZ 2.96Å
106P66.8Low75.6Confident32 Ų3273.2 Ų73.221%0.20837%0.367CS..PPolyproline II helixtrans-60.8139.7171.822.6-28.4000110.5E449P106-E449 WeakPolarHBondContact CB-OE2 3.34Å; P106-E449 HydrophobicContact CG-CB 4.17Å; P106-E449 WeakPolarHBondContact CG-OE2 3.39Å
107Q69.9Low76.3Confident49 Ų4974 Ų7423%0.22937%0.373CS..  trans-112.5136.5-178.2-53.2-157.2-73.400110.8I112 M238Q107-I112 HydrophobicContact CB-CD1 3.77Å; Q107-M238 PolarHBondContact OE1-SD 2.78Å
108N69.6Low77Confident86 Ų8672 Ų7246%0.4636%0.364SS..  trans-97124.3178.4-174.6-19.4000110.6D110 E111 I112N108-D110 VanDerWaalsContact C-N 3.29Å; N108-D110 PolarHBondContact O-N 3.39Å; N108-D110 PolarHBondContact OD1-N 2.84Å; N108-E111 HydrophobicContact CB-CB 4.01Å; N108-E111 PolarHBondContact O-N 3.35Å; N108-I112 WeakPolarHBondContact O-CD1 3.41Å; N108-I112 WeakPolarHBondContact O-CG1 3.2Å; N108-I112 PolarHBondContact O-N 2.7Å
109E71.5Confident77.5Confident76 Ų7670.8 Ų70.836%0.35537%0.371SS..Hα-helixtrans-57.7-39.6180-67.2-173.617000112.7I112 Q113 L242E109-I112 PolarHBondContact O-N 3.29Å; E109-Q113 WeakPolarHBondContact O-CG 3.38Å; E109-Q113 PolarHBondContact O-N 3.36Å; E109-L242 HydrophobicContact CG-CD1 4.44Å; E109-L242 HydrophobicContact CG-CD2 4.36Å
110D72.7Confident78.5Confident116 Ų11673.5 Ų73.562%0.6238%0.379SS*.Hα-helixtrans-67.1-38.9179.9-71.3-28.4000111.6N108 Q113 S114N108-D110 VanDerWaalsContact C-N 3.29Å; N108-D110 PolarHBondContact O-N 3.39Å; N108-D110 PolarHBondContact OD1-N 2.84Å; D110-Q113 PolarHBondContact O-N 3.49Å; D110-S114 WeakPolarHBondContact O-CB 3.33Å; D110-S114 PolarHBondContact O-N 3.25Å; D110-S114 PolarHBondContact O-OG 3.39Å
111E76Confident79.3Confident128 Ų12873.3 Ų73.360%0.59839%0.387SS*.Hα-helixtrans-67.4-41.7176.4-166-179.3173.200110.7N108 Q113 S114 K115N108-E111 HydrophobicContact CB-CB 4.01Å; N108-E111 PolarHBondContact O-N 3.35Å; E111-Q113 PolarHBondContact O-N 2.67Å; E111-S114 PolarHBondContact O-N 3.07Å; E111-S114 PolarHBondContact O-OG 3.49Å; E111-K115 WeakPolarHBondContact O-CB 3.5Å; E111-K115 PolarHBondContact O-N 3Å
112I76.3Confident80.3Confident8 Ų873.9 Ų73.94%0.04138%0.383CS..Hα-helixtrans-63.2-41.3176.3-70.1157.6000111.3Q107 N108 E109 T235 M238 R239 L242Q107-I112 HydrophobicContact CB-CD1 3.77Å; N108-I112 WeakPolarHBondContact O-CD1 3.41Å; N108-I112 WeakPolarHBondContact O-CG1 3.2Å; N108-I112 PolarHBondContact O-N 2.7Å; E109-I112 PolarHBondContact O-N 3.29Å; I112-T235 HydrophobicContact CG2-CG2 4.25Å; I112-M238 HydrophobicContact CD1-CE 3.23Å; I112-M238 HydrophobicContact CD1-SD 3.62Å; I112-M238 HydrophobicContact CG1-SD 4.49Å; I112-M238 HydrophobicContact CG2-CB 4.14Å; I112-R239 PolarHBondContact O-NE 3.45Å; I112-R239 PolarHBondContact O-NH2 3.4Å; I112-L242 HydrophobicContact CG2-CD1 4Å
113Q75.2Confident81Confident93 Ų9375.1 Ų75.144%0.43540%0.395SS..Hα-helixtrans-69.6-39.7179-73.1-175.31700112.1E109 D110 E111 R239 N246E109-Q113 WeakPolarHBondContact O-CG 3.38Å; E109-Q113 PolarHBondContact O-N 3.36Å; D110-Q113 PolarHBondContact O-N 3.49Å; E111-Q113 PolarHBondContact O-N 2.67Å; Q113-R239 PolarHBondContact O-NH2 3.42Å; Q113-N246 PolarHBondContact NE2-ND2 3.12Å
114S80.2Confident81.8Confident88 Ų8879.7 Ų79.762%0.61542%0.415SS*.Hα-helixtrans-81.2-16.9-176.158.70000115D110 E111 E116D110-S114 WeakPolarHBondContact O-CB 3.33Å; D110-S114 PolarHBondContact O-N 3.25Å; D110-S114 PolarHBondContact O-OG 3.39Å; E111-S114 PolarHBondContact O-N 3.07Å; E111-S114 PolarHBondContact O-OG 3.49Å; S114-E116 PolarHBondContact O-N 2.7Å
115K82.6Confident82.8Confident60 Ų6085.2 Ų85.226%0.26144%0.443SS..PPolyproline II helixtrans-62.3120.1-174.4-175.3169.2-174.2158.50114.3E111 L117 T231 T235 R239E111-K115 WeakPolarHBondContact O-CB 3.5Å; E111-K115 PolarHBondContact O-N 3Å; K115-L117 PolarHBondContact O-N 3.31Å; K115-T231 PolarHBondContact NZ-OG1 3.29Å; K115-T235 HydrophobicContact CB-CG2 4.28Å; K115-T235 HydrophobicContact CD-CG2 4.27Å; K115-T235 WeakPolarHBondContact CD-OG1 3.46Å; K115-R239 PolarHBondContact O-NH1 3.04Å; K115-R239 PolarHBondContact O-NH2 2.99Å
116E85.5Confident83.9Confident183 Ų18382.7 Ų82.786%0.85543%0.433SS*.PPolyproline II helixtrans-72.3123.7172-71.2-170.2166.400111.2S114S114-E116 PolarHBondContact O-N 2.7Å
117L89.5Confident85.3Confident40 Ų4084.3 Ų84.321%0.20944%0.435CS..PPolyproline II helixtrans-93.1123.9176.3-70.4174.8000109.6K115 S119 T235 I236 R239K115-L117 PolarHBondContact O-N 3.31Å; L117-S119 PolarHBondContact O-N 2.81Å; L117-T235 HydrophobicContact CD2-CG2 4.15Å; L117-T235 HydrophobicContact CG-CG2 4.47Å; L117-I236 HydrophobicContact CD1-CD1 4.09Å; L117-I236 HydrophobicContact CD1-CG1 3.44Å; L117-I236 VanDerWaalsContact CD1-CG1 3.44Å; L117-I236 HydrophobicContact CD2-CG1 4.3Å; L117-R239 VanDerWaalsContact CD1-NH1 3.33Å
118K91.9Very high86.5Confident139 Ų13988.3 Ų88.360%0.60445%0.452SS*.PPolyproline II helixtrans-80.5119.8179.7-174.4168.4172.9-177.80110.6Y120 C154K118-Y120 HydrophobicContact CB-CE2 4.1Å; K118-Y120 HydrophobicContact CD-CE1 4.23Å; K118-Y120 HydrophobicContact CD-CE2 4.19Å; K118-Y120 WeakPolarHBondContact CD-OH 3.47Å; K118-Y120 HydrophobicContact CG-CD2 4.47Å; K118-Y120 HydrophobicContact CG-CE1 4.43Å; K118-Y120 HydrophobicContact CG-CE2 3.8Å; K118-Y120 WeakPolarHBondContact O-CD2 3.45Å; K118-Y120 WeakPolarHBondContact O-CE2 3.43Å; K118-C154 WeakPolarHBondContact O-CA 3.41Å
119S93.2Very high87.8Confident76 Ų7686.7 Ų86.753%0.53144%0.443SS..PPolyproline II helixtrans-90.3142.3173.9-178.30000111.5L117L117-S119 PolarHBondContact O-N 2.81Å
120Y95.1Very high88.9Confident67 Ų6783.1 Ų83.126%0.26343%0.426SS..  trans-121.6125.4178.7-61.4-96.6000109.9K118 K122 D153 C154 Y156K118-Y120 HydrophobicContact CB-CE2 4.1Å; K118-Y120 HydrophobicContact CD-CE1 4.23Å; K118-Y120 HydrophobicContact CD-CE2 4.19Å; K118-Y120 WeakPolarHBondContact CD-OH 3.47Å; K118-Y120 HydrophobicContact CG-CD2 4.47Å; K118-Y120 HydrophobicContact CG-CE1 4.43Å; K118-Y120 HydrophobicContact CG-CE2 3.8Å; K118-Y120 WeakPolarHBondContact O-CD2 3.45Å; K118-Y120 WeakPolarHBondContact O-CE2 3.43Å; Y120-K122 PolarHBondContact O-NZ 2.97Å; Y120-D153 PolarHBondContact N-O 3.19Å; Y120-C154 VanDerWaalsContact CD2-O 3.32Å; Y120-C154 WeakPolarHBondContact CD2-O 3.36Å; Y120-C154 WeakPolarHBondContact CE2-O 3.35Å; Y120-Y156 HydrophobicContact CE1-CG 4.38Å; Y120-Y156 HydrophobicContact CE2-CD1 4.14Å; Y120-Y156 HydrophobicContact CE2-CG 4.43Å
121P92.9Very high90Very high130 Ų13080.5 Ų80.584%0.84441%0.409SS*.  trans-65.3140.2-178.525.6-32.9000111.9
122K94.1Very high90.8Very high34 Ų3475.9 Ų75.915%0.14840%0.396CS..  trans-143.8151.2-178.5-62.1175.1-16572.40109.7Y120 V126 R127 I130 V152 D153 M155 W226Y120-K122 PolarHBondContact O-NZ 2.97Å; K122-V126 HydrophobicContact CB-CB 4.32Å; K122-V126 HydrophobicContact CB-CG1 3.94Å; K122-V126 HydrophobicContact CD-CG1 3.94Å; K122-V126 HydrophobicContact CG-CG1 4.12Å; K122-R127 HydrophobicContact CB-CG 3.91Å; K122-I130 HydrophobicContact CD-CD1 3.79Å; K122-V152 HydrophobicContact CD-CG1 4.45Å; K122-V152 WeakPolarHBondContact CE-O 3.49Å; K122-V152 PolarHBondContact NZ-O 3.27Å; K122-D153 PolarHBondContact NZ-O 3.37Å; K122-M155 WeakPolarHBondContact CE-O 3.32Å; K122-M155 PolarHBondContact NZ-O 3.25Å; K122-W226 HydrophobicContact CD-CE3 3.97Å; K122-W226 HydrophobicContact CD-CH2 4.19Å; K122-W226 HydrophobicContact CD-CZ3 3.68Å; K122-W226 VanDerWaalsContact CE-CZ3 3.46Å; K122-W226 HydrophobicContact CG-CE3 4.46Å; K122-W226 HydrophobicContact CG-CH2 3.9Å; K122-W226 HydrophobicContact CG-CZ3 3.67Å
123S94.6Very high91.7Very high66 Ų6675.7 Ų75.746%0.46240%0.396SS..  trans-69.7158.217065.30000111D125 V126 R127S123-D125 PolarHBondContact O-N 2.8Å; S123-V126 PolarHBondContact O-N 3.16Å; S123-V126 VanDerWaalsContact O-N 3.16Å; S123-V126 WeakPolarHBondContact OG-CG2 3.43Å; S123-V126 PolarHBondContact OG-N 2.95Å; S123-R127 WeakPolarHBondContact O-CG 3.19Å; S123-R127 PolarHBondContact O-N 2.85Å
124E94.6Very high92.5Very high113 Ų11371.4 Ų71.453%0.52838%0.376SS..Hα-helixtrans-62.1-34.4-178.9-158.963.1-166.800112.4R127 K128E124-R127 PolarHBondContact O-N 3.37Å; E124-R127 IonicContact OE2-NH1 3.4Å; E124-K128 WeakPolarHBondContact O-CG 3.33Å; E124-K128 PolarHBondContact O-N 2.85Å
125D95.1Very high92.9Very high120 Ų12071.7 Ų71.764%0.64237%0.37SS*.Hα-helixtrans-65.1-41.6176-63.7-32.2000112S123 K128 L129S123-D125 PolarHBondContact O-N 2.8Å; D125-K128 PolarHBondContact O-N 2.79Å; D125-L129 WeakPolarHBondContact O-CB 3.34Å; D125-L129 PolarHBondContact O-N 3.39Å
126V95.2Very high93.2Very high32 Ų3274.8 Ų74.819%0.19439%0.386CS..Hα-helixtrans-64.9-42.2174.7165.80000110.7K122 S123 K128 L129 I130 W226K122-V126 HydrophobicContact CB-CB 4.32Å; K122-V126 HydrophobicContact CB-CG1 3.94Å; K122-V126 HydrophobicContact CD-CG1 3.94Å; K122-V126 HydrophobicContact CG-CG1 4.12Å; S123-V126 PolarHBondContact O-N 3.16Å; S123-V126 VanDerWaalsContact O-N 3.16Å; S123-V126 WeakPolarHBondContact OG-CG2 3.43Å; S123-V126 PolarHBondContact OG-N 2.95Å; V126-K128 VanDerWaalsContact C-N 3.33Å; V126-K128 PolarHBondContact O-N 2.86Å; V126-L129 WeakPolarHBondContact O-CB 3.32Å; V126-L129 PolarHBondContact O-N 2.89Å; V126-I130 HydrophobicContact CG1-CD1 3.84Å; V126-I130 HydrophobicContact CG1-CG1 4.43Å; V126-I130 WeakPolarHBondContact O-CG1 3.29Å; V126-I130 PolarHBondContact O-N 3.48Å; V126-W226 HydrophobicContact CB-CZ2 4.23Å; V126-W226 HydrophobicContact CG1-CD2 4.19Å; V126-W226 VanDerWaalsContact CG1-CE2 3.44Å; V126-W226 HydrophobicContact CG1-CH2 3.66Å; V126-W226 HydrophobicContact CG1-CZ2 3.17Å; V126-W226 HydrophobicContact CG1-CZ3 4.34Å; V126-W226 HydrophobicContact CG2-CZ2 4.01Å
127R96.3Very high93.2Very high66 Ų6667 Ų6725%0.24935%0.35CS..Hα-helixtrans-60.7-44.3177.3-66.7177.1102.3-158.78.2110.7K122 S123 E124 I130 K131 V152 D153K122-R127 HydrophobicContact CB-CG 3.91Å; S123-R127 WeakPolarHBondContact O-CG 3.19Å; S123-R127 PolarHBondContact O-N 2.85Å; E124-R127 PolarHBondContact O-N 3.37Å; E124-R127 IonicContact OE2-NH1 3.4Å; R127-I130 PolarHBondContact O-N 2.83Å; R127-K131 WeakPolarHBondContact O-CB 3Å; R127-K131 VanDerWaalsContact O-CG 3.26Å; R127-K131 WeakPolarHBondContact O-CG 3.14Å; R127-K131 PolarHBondContact O-N 2.75Å; R127-V152 HydrophobicContact CB-CG1 3.96Å; R127-V152 HydrophobicContact CG-CG1 3.83Å; R127-D153 IonicContact CZ-OD1 3.7Å; R127-D153 IonicContact NE-OD1 3.17Å; R127-D153 IonicContact NH2-OD1 2.87Å; R127-D153 PolarHBondContact NH2-OD1 3.08Å; R127-D153 IonicContact NH2-OD2 3.99Å
128K95.2Very high92.5Very high134 Ų13471 Ų7158%0.58337%0.372SS*.Hα-helixtrans-61-42.9174.8-75.2177.1-177173.10112.4E124 D125 V126 K131 G132E124-K128 WeakPolarHBondContact O-CG 3.33Å; E124-K128 PolarHBondContact O-N 2.85Å; D125-K128 PolarHBondContact O-N 2.79Å; V126-K128 VanDerWaalsContact C-N 3.33Å; V126-K128 PolarHBondContact O-N 2.86Å; K128-K131 PolarHBondContact O-N 3.21Å; K128-G132 PolarHBondContact O-N 2.83Å
129L95.9Very high91.5Very high52 Ų5266.4 Ų66.427%0.27235%0.352SS..Hα-helixtrans-58.6-50.4177.7-179.1154000111.6D125 V126 G132 A133 V178 P199D125-L129 WeakPolarHBondContact O-CB 3.34Å; D125-L129 PolarHBondContact O-N 3.39Å; V126-L129 WeakPolarHBondContact O-CB 3.32Å; V126-L129 PolarHBondContact O-N 2.89Å; L129-G132 PolarHBondContact O-N 2.85Å; L129-A133 PolarHBondContact O-N 2.71Å; L129-V178 HydrophobicContact CD2-CG1 4.19Å; L129-P199 HydrophobicContact CD1-CB 4.45Å; L129-P199 HydrophobicContact CD1-CG 3.7Å; L129-P199 HydrophobicContact CD2-CB 3.74Å; L129-P199 HydrophobicContact CD2-CG 3.91Å; L129-P199 HydrophobicContact CG-CB 3.8Å; L129-P199 HydrophobicContact CG-CG 3.53Å
130I95.7Very high90.9Very high0 Ų063 Ų630%033%0.327CS..Hα-helixtrans-63.5-44.9180-63.6167.6000110.4K122 V126 R127 G132 A133 I134 V152 M155 V178 W226K122-I130 HydrophobicContact CD-CD1 3.79Å; V126-I130 HydrophobicContact CG1-CD1 3.84Å; V126-I130 HydrophobicContact CG1-CG1 4.43Å; V126-I130 WeakPolarHBondContact O-CG1 3.29Å; V126-I130 PolarHBondContact O-N 3.48Å; R127-I130 PolarHBondContact O-N 2.83Å; I130-G132 VanDerWaalsContact C-N 3.34Å; I130-G132 PolarHBondContact O-N 3.24Å; I130-A133 PolarHBondContact O-N 3.28Å; I130-I134 HydrophobicContact CG2-CD1 3.85Å; I130-I134 WeakPolarHBondContact O-CG1 3.48Å; I130-I134 PolarHBondContact O-N 2.96Å; I130-V152 HydrophobicContact CB-CG2 4.19Å; I130-V152 HydrophobicContact CD1-CG1 4.41Å; I130-V152 HydrophobicContact CG2-CB 4.43Å; I130-V152 HydrophobicContact CG2-CG2 3.69Å; I130-M155 HydrophobicContact CD1-SD 4.35Å; I130-M155 HydrophobicContact CG2-SD 3.38Å; I130-M155 WeakPolarHBondContact CG2-SD 3.48Å; I130-V178 HydrophobicContact CG1-CG1 4.43Å; I130-V178 HydrophobicContact CG2-CG2 4.38Å; I130-W226 HydrophobicContact CD1-CB 3.96Å; I130-W226 HydrophobicContact CD1-CD2 3.64Å; I130-W226 HydrophobicContact CD1-CE3 4.06Å; I130-W226 HydrophobicContact CD1-CG 3.55Å; I130-W226 HydrophobicContact CG1-CB 4.24Å; I130-W226 HydrophobicContact CG1-CD2 4.41Å; I130-W226 HydrophobicContact CG1-CG 3.89Å
131K94.5Very high90.1Very high61 Ų6162.9 Ų62.927%0.26533%0.331SS..Hα-helixtrans-57.8-46.5177-75.3-176.4174.3-171.30111.9R127 K128 I134 L135 L148 S149 V152R127-K131 WeakPolarHBondContact O-CB 3Å; R127-K131 VanDerWaalsContact O-CG 3.26Å; R127-K131 WeakPolarHBondContact O-CG 3.14Å; R127-K131 PolarHBondContact O-N 2.75Å; K128-K131 PolarHBondContact O-N 3.21Å; K131-I134 PolarHBondContact O-N 2.88Å; K131-L135 WeakPolarHBondContact O-CG 3.4Å; K131-L135 PolarHBondContact O-N 3.44Å; K131-L148 HydrophobicContact CB-CD2 4.22Å; K131-L148 HydrophobicContact CD-CD2 4.49Å; K131-L148 HydrophobicContact CG-CD1 4.44Å; K131-L148 HydrophobicContact CG-CD2 4.03Å; K131-L148 HydrophobicContact CG-CG 4.04Å; K131-S149 PolarHBondContact NZ-OG 2.98Å; K131-S149 VanDerWaalsContact NZ-OG 3.12Å; K131-V152 HydrophobicContact CG-CG2 3.6Å
132G93.6Very high89.2Confident31 Ų3162.7 Ų62.732%0.3232%0.319SS..Hα-helixtrans-59.9-48.5177.900000112.1K128 L129 I130 I134 L135 E136K128-G132 PolarHBondContact O-N 2.83Å; L129-G132 PolarHBondContact O-N 2.85Å; I130-G132 VanDerWaalsContact C-N 3.34Å; I130-G132 PolarHBondContact O-N 3.24Å; G132-I134 VanDerWaalsContact C-N 3.31Å; G132-I134 PolarHBondContact O-N 3.44Å; G132-L135 PolarHBondContact O-N 3.36Å; G132-E136 PolarHBondContact O-N 3.12Å
133A94.3Very high88.4Confident5 Ų562.2 Ų62.24%0.04132%0.318CS..Hα-helixtrans-60.5-38.5179.500000113L129 I130 V178 P199 V201L129-A133 PolarHBondContact O-N 2.71Å; I130-A133 PolarHBondContact O-N 3.28Å; A133-V178 HydrophobicContact CB-CG1 3.6Å; A133-V178 HydrophobicContact CB-CG2 4.34Å; A133-P199 HydrophobicContact CB-CB 4Å; A133-V201 WeakPolarHBondContact O-CG2 3.46Å
134I91.6Very high87.6Confident3 Ų360.6 Ų60.62%0.01531%0.308CS..Hα-helixtrans-69.5-43.2177.9-69.7170.6000111.5I130 K131 G132 E136 N137 M140 I143 L148 V178 V201I130-I134 HydrophobicContact CG2-CD1 3.85Å; I130-I134 WeakPolarHBondContact O-CG1 3.48Å; I130-I134 PolarHBondContact O-N 2.96Å; K131-I134 PolarHBondContact O-N 2.88Å; G132-I134 VanDerWaalsContact C-N 3.31Å; G132-I134 PolarHBondContact O-N 3.44Å; I134-E136 VanDerWaalsContact C-N 3.29Å; I134-E136 PolarHBondContact O-N 3.5Å; I134-N137 WeakPolarHBondContact O-CB 3.36Å; I134-N137 PolarHBondContact O-N 2.77Å; I134-N137 VanDerWaalsContact O-N 3.15Å; I134-M140 HydrophobicContact CD1-CE 4.29Å; I134-M140 HydrophobicContact CG1-CE 4.06Å; I134-M140 HydrophobicContact CG2-CB 3.87Å; I134-M140 HydrophobicContact CG2-CE 3.78Å; I134-I143 HydrophobicContact CG2-CD1 4.48Å; I134-L148 HydrophobicContact CB-CD1 3.73Å; I134-L148 HydrophobicContact CD1-CD1 3.65Å; I134-L148 HydrophobicContact CG1-CD1 4.29Å; I134-L148 HydrophobicContact CG2-CD1 3.48Å; I134-L148 VanDerWaalsContact CG2-CD1 3.48Å; I134-V178 HydrophobicContact CG1-CG2 4.25Å; I134-V201 HydrophobicContact CB-CG2 4.5Å; I134-V201 HydrophobicContact CG1-CG2 3.95Å
135L89.8Confident86.9Confident93 Ų9359.9 Ų59.949%0.48732%0.316SS..Hα-helixtrans-69.8-25-180-70.6171.3000113.2K131 G132 N137 N141 L148K131-L135 WeakPolarHBondContact O-CG 3.4Å; K131-L135 PolarHBondContact O-N 3.44Å; G132-L135 PolarHBondContact O-N 3.36Å; L135-N137 VanDerWaalsContact C-N 3.31Å; L135-N141 WeakPolarHBondContact O-CB 3.31Å; L135-L148 HydrophobicContact CD1-CD2 4.04Å; L135-L148 HydrophobicContact CD2-CD2 4.04Å; L135-L148 HydrophobicContact CG-CD2 3.92Å
136E88.7Confident86.2Confident125 Ų12556.5 Ų56.558%0.58430%0.302SS*.THydrogen-bonded Turntrans-78.4-11.9172.6-75.1-172.8-157.600113.4G132 I134 R198G132-E136 PolarHBondContact O-N 3.12Å; I134-E136 VanDerWaalsContact C-N 3.29Å; I134-E136 PolarHBondContact O-N 3.5Å; E136-R198 IonicContact OE2-CZ 3.84Å; E136-R198 IonicContact OE2-NH1 2.66Å; E136-R198 PolarHBondContact OE2-NH1 3.42Å
137N86Confident85.8Confident19 Ų1956 Ų5610%0.10230%0.297CS..SBendtrans-80.5131.1-179.1-179.9-82.1000111.3I134 L135 F139 M140 N141 V201 E204I134-N137 WeakPolarHBondContact O-CB 3.36Å; I134-N137 PolarHBondContact O-N 2.77Å; I134-N137 VanDerWaalsContact O-N 3.15Å; L135-N137 VanDerWaalsContact C-N 3.31Å; N137-F139 PolarHBondContact O-N 2.82Å; N137-F139 VanDerWaalsContact O-N 3.12Å; N137-F139 WeakPolarHBondContact OD1-CA 3.36Å; N137-F139 WeakPolarHBondContact OD1-CB 3.23Å; N137-F139 PolarHBondContact OD1-N 3Å; N137-M140 HydrophobicContact CB-CB 4.15Å; N137-M140 PolarHBondContact O-N 2.71Å; N137-M140 PolarHBondContact OD1-N 3.38Å; N137-N141 WeakPolarHBondContact O-CB 3.35Å; N137-N141 VanDerWaalsContact O-CG 3.28Å; N137-N141 PolarHBondContact O-N 2.93Å; N137-V201 HydrophobicContact CB-CB 4.28Å; N137-V201 HydrophobicContact CB-CG2 4.14Å; N137-E204 PolarHBondContact ND2-OE1 3.34Å
138D73.7Confident85.5Confident126 Ų12653.3 Ų53.367%0.67429%0.288SS*.THydrogen-bonded Turntrans-58.6-28-176.3-65.1-34.4000114.1N141D138-N141 PolarHBondContact O-OD1 2.95Å
139F71.5Confident85.3Confident42 Ų4248.7 Ų48.718%0.18427%0.272CS..THydrogen-bonded Turntrans-98.4-31.9-177.2-59.2-77.5000112.7N137 L205 L208 Y209 M609N137-F139 PolarHBondContact O-N 2.82Å; N137-F139 VanDerWaalsContact O-N 3.12Å; N137-F139 WeakPolarHBondContact OD1-CA 3.36Å; N137-F139 WeakPolarHBondContact OD1-CB 3.23Å; N137-F139 PolarHBondContact OD1-N 3Å; F139-L205 HydrophobicContact CD2-CD2 3.69Å; F139-L205 HydrophobicContact CE2-CD2 3.68Å; F139-L205 HydrophobicContact CG-CD2 4.35Å; F139-L205 HydrophobicContact CZ-CD2 4.33Å; F139-L208 HydrophobicContact CB-CD1 4.4Å; F139-Y209 HydrophobicContact CD1-CE2 4.4Å; F139-Y209 WeakPolarHBondContact CD1-OH 3.34Å; F139-M609 HydrophobicContact CZ-CB 3.96Å
140M80.8Confident85.1Confident4 Ų449.7 Ų49.72%0.0228%0.276CS..THydrogen-bonded Turntrans-97.2-5-175.5-61.4-177.860.500114.2I134 N137 H142 I143 L151 V201 E204 L208 F233I134-M140 HydrophobicContact CD1-CE 4.29Å; I134-M140 HydrophobicContact CG1-CE 4.06Å; I134-M140 HydrophobicContact CG2-CB 3.87Å; I134-M140 HydrophobicContact CG2-CE 3.78Å; N137-M140 HydrophobicContact CB-CB 4.15Å; N137-M140 PolarHBondContact O-N 2.71Å; N137-M140 PolarHBondContact OD1-N 3.38Å; M140-H142 PolarHBondContact O-N 2.95Å; M140-I143 HydrophobicContact CB-CD1 3.68Å; M140-I143 HydrophobicContact CB-CG1 4.45Å; M140-I143 HydrophobicContact CE-CD1 3.67Å; M140-I143 HydrophobicContact CG-CD1 4.06Å; M140-I143 WeakPolarHBondContact O-CB 3.43Å; M140-I143 WeakPolarHBondContact O-CD1 3.44Å; M140-I143 WeakPolarHBondContact O-CG1 3.24Å; M140-I143 PolarHBondContact O-N 3.08Å; M140-L151 HydrophobicContact CE-CD1 4.24Å; M140-V201 HydrophobicContact SD-CG1 3.75Å; M140-V201 HydrophobicContact SD-CG2 4.34Å; M140-E204 HydrophobicContact SD-CB 3.99Å; M140-E204 HydrophobicContact SD-CG 4.39Å; M140-L208 HydrophobicContact CG-CD1 4.48Å; M140-F233 HydrophobicContact CE-CE2 3.46Å; M140-F233 VanDerWaalsContact CE-CE2 3.46Å; M140-F233 HydrophobicContact CE-CZ 3.76Å; M140-F233 HydrophobicContact SD-CE2 4.35Å; M140-F233 HydrophobicContact SD-CZ 4.26Å
141N79.1Confident85Confident64 Ų6449.8 Ų49.834%0.34228%0.276SS..THydrogen-bonded Turntrans-66.5-11.9176.962.37.7000114.6L135 N137 D138L135-N141 WeakPolarHBondContact O-CB 3.31Å; N137-N141 WeakPolarHBondContact O-CB 3.35Å; N137-N141 VanDerWaalsContact O-CG 3.28Å; N137-N141 PolarHBondContact O-N 2.93Å; D138-N141 PolarHBondContact O-OD1 2.95Å
142H72.4Confident85Confident126 Ų12646.9 Ų46.958%0.58326%0.264SS*.THydrogen-bonded Turntrans-89.30.9176.1-62.495.4000113.8M140M140-H142 PolarHBondContact O-N 2.95Å
143I78.2Confident85Confident24 Ų2447.4 Ų47.412%0.12326%0.259CS..SBendtrans-74133.5-178.3-64.5174.7000110.2I134 M140 Q147 L148 L151 L237I134-I143 HydrophobicContact CG2-CD1 4.48Å; M140-I143 HydrophobicContact CB-CD1 3.68Å; M140-I143 HydrophobicContact CB-CG1 4.45Å; M140-I143 HydrophobicContact CE-CD1 3.67Å; M140-I143 HydrophobicContact CG-CD1 4.06Å; M140-I143 WeakPolarHBondContact O-CB 3.43Å; M140-I143 WeakPolarHBondContact O-CD1 3.44Å; M140-I143 WeakPolarHBondContact O-CG1 3.24Å; M140-I143 PolarHBondContact O-N 3.08Å; I143-Q147 HydrophobicContact CG2-CB 3.48Å; I143-Q147 VanDerWaalsContact CG2-CB 3.48Å; I143-L148 HydrophobicContact CG2-CB 4.37Å; I143-L151 HydrophobicContact CD1-CD1 3.81Å; I143-L151 HydrophobicContact CG2-CD1 4.08Å; I143-L237 HydrophobicContact CD1-CD2 3.85Å; I143-L237 HydrophobicContact CG1-CD2 3.91Å; I143-L237 HydrophobicContact CG2-CD2 4.32Å
144A77.2Confident85.1Confident32 Ų3247.6 Ų47.626%0.26426%0.26SS..  trans-64.8150.7179.700000111.8S146 Q147 L148A144-S146 PolarHBondContact O-N 3.49Å; A144-S146 VanDerWaalsContact O-N 3.14Å; A144-Q147 HydrophobicContact CB-CG 4.27Å; A144-Q147 WeakPolarHBondContact O-CB 2.98Å; A144-Q147 PolarHBondContact O-N 3.17Å; A144-Q147 VanDerWaalsContact O-N 3.09Å; A144-L148 PolarHBondContact O-N 2.98Å
145S80.4Confident85.3Confident99 Ų9947.6 Ų47.669%0.69226%0.26SS*.Hα-helixtrans-56.3-33.8-177.7-430000113.9S149S145-S149 PolarHBondContact O-N 3.17Å; S145-S149 PolarHBondContact O-OG 3.49Å; S145-S149 VanDerWaalsContact O-OG 3.05Å
146S80.7Confident85.6Confident49 Ų4946.2 Ų46.234%0.34325%0.249SC..Hα-helixtrans-65.1-53.3175.350.70000111A144 L148 S149 Q150 D240A144-S146 PolarHBondContact O-N 3.49Å; A144-S146 VanDerWaalsContact O-N 3.14Å; S146-L148 VanDerWaalsContact C-N 3.34Å; S146-L148 PolarHBondContact O-N 2.78Å; S146-S149 PolarHBondContact O-N 2.8Å; S146-Q150 PolarHBondContact O-N 3.1Å; S146-Q150 VanDerWaalsContact O-N 3.15Å; S146-D240 PolarHBondContact OG-OD1 3.38Å
147Q87.1Confident86Confident21 Ų2143 Ų4310%0.09824%0.24CC..Hα-helixtrans-58.5-44.5176.3-64.5170.8-39.400111.3I143 A144 S149 Q150 L151 I236 L237 D240I143-Q147 HydrophobicContact CG2-CB 3.48Å; I143-Q147 VanDerWaalsContact CG2-CB 3.48Å; A144-Q147 HydrophobicContact CB-CG 4.27Å; A144-Q147 WeakPolarHBondContact O-CB 2.98Å; A144-Q147 PolarHBondContact O-N 3.17Å; A144-Q147 VanDerWaalsContact O-N 3.09Å; Q147-S149 VanDerWaalsContact C-N 3.26Å; Q147-S149 PolarHBondContact O-N 2.82Å; Q147-Q150 PolarHBondContact O-N 3.37Å; Q147-Q150 VanDerWaalsContact O-N 3.15Å; Q147-L151 WeakPolarHBondContact O-CG 3.12Å; Q147-L151 PolarHBondContact O-N 2.56Å; Q147-I236 HydrophobicContact CB-CG2 4.1Å; Q147-I236 WeakPolarHBondContact O-CG2 3.36Å; Q147-L237 PolarHBondContact NE2-O 2.92Å; Q147-D240 HydrophobicContact CG-CB 3.54Å
148L90.2Very high86.5Confident10 Ų1044.3 Ų44.35%0.05225%0.246CC..Hα-helixtrans-57.7-40.4177.817960.1000111.9K131 I134 L135 I143 A144 S146 V152K131-L148 HydrophobicContact CB-CD2 4.22Å; K131-L148 HydrophobicContact CD-CD2 4.49Å; K131-L148 HydrophobicContact CG-CD1 4.44Å; K131-L148 HydrophobicContact CG-CD2 4.03Å; K131-L148 HydrophobicContact CG-CG 4.04Å; I134-L148 HydrophobicContact CB-CD1 3.73Å; I134-L148 HydrophobicContact CD1-CD1 3.65Å; I134-L148 HydrophobicContact CG1-CD1 4.29Å; I134-L148 HydrophobicContact CG2-CD1 3.48Å; I134-L148 VanDerWaalsContact CG2-CD1 3.48Å; L135-L148 HydrophobicContact CD1-CD2 4.04Å; L135-L148 HydrophobicContact CD2-CD2 4.04Å; L135-L148 HydrophobicContact CG-CD2 3.92Å; I143-L148 HydrophobicContact CG2-CB 4.37Å; A144-L148 PolarHBondContact O-N 2.98Å; S146-L148 VanDerWaalsContact C-N 3.34Å; S146-L148 PolarHBondContact O-N 2.78Å; L148-V152 HydrophobicContact CD1-CG2 4.43Å; L148-V152 WeakPolarHBondContact O-CG2 3.44Å; L148-V152 PolarHBondContact O-N 2.74Å
149S90.5Very high87.6Confident37 Ų3745.2 Ų45.226%0.25924%0.244SC..Hα-helixtrans-68.5-40.9178-60.30000111.7K131 S145 S146 Q147 V152 D153K131-S149 PolarHBondContact NZ-OG 2.98Å; K131-S149 VanDerWaalsContact NZ-OG 3.12Å; S145-S149 PolarHBondContact O-N 3.17Å; S145-S149 PolarHBondContact O-OG 3.49Å; S145-S149 VanDerWaalsContact O-OG 3.05Å; S146-S149 PolarHBondContact O-N 2.8Å; Q147-S149 VanDerWaalsContact C-N 3.26Å; Q147-S149 PolarHBondContact O-N 2.82Å; S149-V152 PolarHBondContact O-N 3.45Å; S149-D153 VanDerWaalsContact O-CG 3.25Å; S149-D153 PolarHBondContact O-N 2.86Å
150Q91.1Very high88.8Confident72 Ų7243.6 Ų43.634%0.33624%0.237SC..Hα-helixtrans-65.6-39.6174.6-70.5-174.53.500112.9S146 Q147 D153 C154 I236S146-Q150 PolarHBondContact O-N 3.1Å; S146-Q150 VanDerWaalsContact O-N 3.15Å; Q147-Q150 PolarHBondContact O-N 3.37Å; Q147-Q150 VanDerWaalsContact O-N 3.15Å; Q150-D153 PolarHBondContact O-N 3.44Å; Q150-C154 PolarHBondContact O-N 3.18Å; Q150-C154 PolarHBondContact O-SG 3.15Å; Q150-I236 HydrophobicContact CB-CD1 4.2Å; Q150-I236 HydrophobicContact CB-CG1 4.18Å; Q150-I236 HydrophobicContact CB-CG2 3.85Å
151L92.9Very high89.6Confident3 Ų347.4 Ų47.42%0.01626%0.261CS..Hα-helixtrans-56.6-51.9172.8-77.3172.8000110.2M140 I143 Q147 D153 C154 M155 I228 F233 I236M140-L151 HydrophobicContact CE-CD1 4.24Å; I143-L151 HydrophobicContact CD1-CD1 3.81Å; I143-L151 HydrophobicContact CG2-CD1 4.08Å; Q147-L151 WeakPolarHBondContact O-CG 3.12Å; Q147-L151 PolarHBondContact O-N 2.56Å; L151-D153 PolarHBondContact O-N 3.26Å; L151-C154 PolarHBondContact O-N 3.19Å; L151-C154 VanDerWaalsContact O-N 3.16Å; L151-M155 WeakPolarHBondContact O-CG 3.06Å; L151-M155 PolarHBondContact O-N 3.12Å; L151-I228 HydrophobicContact CD2-CD1 3.65Å; L151-F233 HydrophobicContact CD1-CE2 4.17Å; L151-F233 HydrophobicContact CD2-CD2 3.37Å; L151-F233 HydrophobicContact CD2-CE2 3.68Å; L151-F233 HydrophobicContact CD2-CG 4.31Å; L151-I236 HydrophobicContact CD2-CB 4.23Å; L151-I236 HydrophobicContact CD2-CD1 3.89Å; L151-I236 HydrophobicContact CD2-CG2 4.16Å; L151-I236 HydrophobicContact CG-CB 4.49Å; L151-I236 HydrophobicContact CG-CD1 4.34Å; L151-I236 HydrophobicContact CG-CG2 3.88Å
152V94.9Very high90.5Very high0 Ų046.2 Ų46.20%026%0.26CS..Hα-helixtrans-57.6-40.7178172.90000110.8K122 R127 I130 K131 L148 S149 M155K122-V152 HydrophobicContact CD-CG1 4.45Å; K122-V152 WeakPolarHBondContact CE-O 3.49Å; K122-V152 PolarHBondContact NZ-O 3.27Å; R127-V152 HydrophobicContact CB-CG1 3.96Å; R127-V152 HydrophobicContact CG-CG1 3.83Å; I130-V152 HydrophobicContact CB-CG2 4.19Å; I130-V152 HydrophobicContact CD1-CG1 4.41Å; I130-V152 HydrophobicContact CG2-CB 4.43Å; I130-V152 HydrophobicContact CG2-CG2 3.69Å; K131-V152 HydrophobicContact CG-CG2 3.6Å; L148-V152 HydrophobicContact CD1-CG2 4.43Å; L148-V152 WeakPolarHBondContact O-CG2 3.44Å; L148-V152 PolarHBondContact O-N 2.74Å; S149-V152 PolarHBondContact O-N 3.45Å; V152-M155 PolarHBondContact O-N 3.34Å
153D94.3Very high91.6Very high42 Ų4245.6 Ų45.623%0.22526%0.261CS..Hα-helixtrans-66.4-39.6179.3-71.3-15.5000112.3Y120 K122 R127 S149 Q150 L151 M155Y120-D153 PolarHBondContact N-O 3.19Å; K122-D153 PolarHBondContact NZ-O 3.37Å; R127-D153 IonicContact CZ-OD1 3.7Å; R127-D153 IonicContact NE-OD1 3.17Å; R127-D153 IonicContact NH2-OD1 2.87Å; R127-D153 PolarHBondContact NH2-OD1 3.08Å; R127-D153 IonicContact NH2-OD2 3.99Å; S149-D153 VanDerWaalsContact O-CG 3.25Å; S149-D153 PolarHBondContact O-N 2.86Å; Q150-D153 PolarHBondContact O-N 3.44Å; L151-D153 PolarHBondContact O-N 3.26Å; D153-M155 PolarHBondContact O-N 3.46Å
154C95.4Very high92.5Very high9 Ų948.2 Ų48.26%0.06127%0.273CS..Hα-helixtrans-77.8-17-179.6-63.80000114.4K118 Y120 Q150 L151 I228 I236K118-C154 WeakPolarHBondContact O-CA 3.41Å; Y120-C154 VanDerWaalsContact CD2-O 3.32Å; Y120-C154 WeakPolarHBondContact CD2-O 3.36Å; Y120-C154 WeakPolarHBondContact CE2-O 3.35Å; Q150-C154 PolarHBondContact O-N 3.18Å; Q150-C154 PolarHBondContact O-SG 3.15Å; L151-C154 PolarHBondContact O-N 3.19Å; L151-C154 VanDerWaalsContact O-N 3.16Å; C154-I228 HydrophobicContact CB-CD1 3.84Å; C154-I228 HydrophobicContact CB-CG1 4.4Å; C154-I236 HydrophobicContact CB-CD1 4.04Å
155M96.5Very high93.3Very high3 Ų350.9 Ų50.92%0.01528%0.281CS..  trans-66.5137.3177.6-74-170116.400111.8K122 I130 L151 V152 D153 V178 W226 A227 I228K122-M155 WeakPolarHBondContact CE-O 3.32Å; K122-M155 PolarHBondContact NZ-O 3.25Å; I130-M155 HydrophobicContact CD1-SD 4.35Å; I130-M155 HydrophobicContact CG2-SD 3.38Å; I130-M155 WeakPolarHBondContact CG2-SD 3.48Å; L151-M155 WeakPolarHBondContact O-CG 3.06Å; L151-M155 PolarHBondContact O-N 3.12Å; V152-M155 PolarHBondContact O-N 3.34Å; D153-M155 PolarHBondContact O-N 3.46Å; M155-V178 HydrophobicContact CE-CB 3.99Å; M155-V178 HydrophobicContact CE-CG2 3.69Å; M155-V178 HydrophobicContact SD-CB 4.48Å; M155-V178 HydrophobicContact SD-CG2 4.19Å; M155-W226 HydrophobicContact CB-CB 4.18Å; M155-W226 HydrophobicContact CE-CB 4.08Å; M155-W226 WeakPolarHBondContact CE-O 3.33Å; M155-W226 HydrophobicContact SD-CB 3.94Å; M155-A227 CarbonylContact C-O 3.52Å; M155-A227 WeakPolarHBondContact CA-O 3.47Å; M155-I228 HydrophobicContact CE-CG2 4.17Å; M155-I228 HydrophobicContact CG-CB 4.01Å; M155-I228 HydrophobicContact CG-CG2 4.27Å
156Y96.5Very high94Very high64 Ų6447.3 Ų47.325%0.25125%0.254SS..EExtended strand (participates in β ladder)trans-119.8151.7176.561.4-87.8000111.6Y120 I158 L175 W226 A227Y120-Y156 HydrophobicContact CE1-CG 4.38Å; Y120-Y156 HydrophobicContact CE2-CD1 4.14Å; Y120-Y156 HydrophobicContact CE2-CG 4.43Å; Y156-I158 HydrophobicContact CD2-CD1 4.46Å; Y156-I158 HydrophobicContact CD2-CG1 3.97Å; Y156-I158 HydrophobicContact CE2-CD1 3.7Å; Y156-I158 HydrophobicContact CE2-CG1 3.67Å; Y156-L175 VanDerWaalsContact OH-CD2 3.29Å; Y156-L175 WeakPolarHBondContact OH-CD2 3.46Å; Y156-W226 CarbonylContact O-C 3.51Å; Y156-W226 WeakPolarHBondContact O-CA 3.43Å; Y156-A227 WeakPolarHBondContact CD1-O 3.5Å; Y156-A227 HydrophobicContact CE1-CB 4.23Å; Y156-A227 WeakPolarHBondContact CE1-O 3.29Å; Y156-A227 HydrophobicContact CE2-CB 4.12Å; Y156-A227 PolarHBondContact N-O 3.35Å; Y156-A227 PolarHBondContact O-N 3.12Å
157S96.8Very high94.7Very high56 Ų5645.5 Ų45.539%0.39224%0.24SC..EExtended strand (participates in β ladder)trans-75.8133.7-177.8175.70000111T224 L225S157-T224 WeakPolarHBondContact OG-CG2 3.28Å; S157-L225 CarbonylContact C-O 3.55Å; S157-L225 WeakPolarHBondContact CA-O 3.49Å
158I96.5Very high95Very high48 Ų4847.3 Ų47.325%0.24625%0.253CS..EExtended strand (participates in β ladder)trans-122.4125.2168.1-58.8-179.6000107.3Y156 Y177 T224 L225 A227Y156-I158 HydrophobicContact CD2-CD1 4.46Å; Y156-I158 HydrophobicContact CD2-CG1 3.97Å; Y156-I158 HydrophobicContact CE2-CD1 3.7Å; Y156-I158 HydrophobicContact CE2-CG1 3.67Å; I158-Y177 HydrophobicContact CD1-CE1 4.04Å; I158-T224 CarbonylContact O-C 3.55Å; I158-T224 WeakPolarHBondContact O-CA 3.44Å; I158-L225 HydrophobicContact CB-CB 4.4Å; I158-L225 PolarHBondContact N-O 3.03Å; I158-L225 PolarHBondContact O-N 3.25Å; I158-A227 HydrophobicContact CD1-CB 3.42Å; I158-A227 VanDerWaalsContact CD1-CB 3.42Å; I158-A227 HydrophobicContact CG1-CB 4.04Å
159K97.2Very high95Very high145 Ų14549.5 Ų49.563%0.6326%0.262SS*.EExtended strand (participates in β ladder)trans-88.7140.7172.7-66.3-66.3-176.6178.90108.8T224K159-T224 HydrophobicContact CD-CG2 4.16Å; K159-T224 PolarHBondContact NZ-OG1 2.98Å
160F96.6Very high94.6Very high7 Ų749.7 Ų49.73%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-128.1155.4173.861.3-94.9000110.6E164 I166 L179 D181 L184 A219 T221 N222 G223 T224 L225F160-E164 WeakPolarHBondContact CA-OE2 3.41Å; F160-I166 HydrophobicContact CB-CD1 4.48Å; F160-I166 HydrophobicContact CD1-CD1 4.32Å; F160-I166 HydrophobicContact CD2-CD1 4.25Å; F160-I166 HydrophobicContact CG-CD1 4.12Å; F160-L179 HydrophobicContact CE1-CD1 4.2Å; F160-L179 HydrophobicContact CZ-CD1 4Å; F160-D181 WeakPolarHBondContact CZ-O 3.33Å; F160-L184 HydrophobicContact CD2-CD2 4.4Å; F160-L184 HydrophobicContact CE1-CD2 4.38Å; F160-L184 HydrophobicContact CE2-CD2 3.66Å; F160-L184 HydrophobicContact CZ-CD2 3.65Å; F160-L184 HydrophobicContact CZ-CG 4.47Å; F160-A219 HydrophobicContact CD2-CB 3.46Å; F160-A219 VanDerWaalsContact CD2-CB 3.46Å; F160-A219 HydrophobicContact CE2-CB 3.8Å; F160-A219 HydrophobicContact CG-CB 4.47Å; F160-T221 WeakPolarHBondContact CD2-O 3.45Å; F160-T221 WeakPolarHBondContact CE2-O 3.22Å; F160-N222 WeakPolarHBondContact O-CA 3.16Å; F160-G223 VanDerWaalsContact CZ-CA 3.46Å; F160-G223 PolarHBondContact N-O 3.09Å; F160-G223 VanDerWaalsContact N-O 3.08Å; F160-G223 PolarHBondContact O-N 3.28Å; F160-T224 VanDerWaalsContact CE1-C 3.5Å; F160-L225 HydrophobicContact CD1-CD1 4.14Å; F160-L225 HydrophobicContact CD1-CD2 4.5Å; F160-L225 HydrophobicContact CD1-CG 3.72Å; F160-L225 HydrophobicContact CE1-CD1 4.48Å; F160-L225 HydrophobicContact CE1-CD2 4.03Å; F160-L225 HydrophobicContact CE1-CG 3.71Å
161T97.6Very high94.3Very high84 Ų8450.2 Ų50.252%0.51528%0.275SS..  trans-105.7157.2177.453.80000111.2E164 A219 N222T161-E164 PolarHBondContact N-OE2 3.25Å; T161-E164 WeakPolarHBondContact O-CB 3.3Å; T161-E164 PolarHBondContact O-N 3.07Å; T161-E164 PolarHBondContact OG1-OE2 3.32Å; T161-A219 WeakPolarHBondContact O-CB 3.33Å; T161-N222 WeakPolarHBondContact CA-OD1 3.08Å
162A97.1Very high93.6Very high39 Ų3959.3 Ų59.332%0.32231%0.311SS..THydrogen-bonded Turntrans-55.2144.5173.300000110.4E164 N222A162-E164 PolarHBondContact O-N 3.4Å; A162-N222 PolarHBondContact N-OD1 3.28Å
163D95.8Very high92.8Very high114 Ų11459.4 Ų59.461%0.6131%0.311SS*.THydrogen-bonded Turntrans69.1-1.5-174.8-67-61.9000117.2K218 A219D163-K218 VanDerWaalsContact CA-CE 3.46Å; D163-K218 VanDerWaalsContact O-CE 3.3Å; D163-K218 WeakPolarHBondContact O-CE 3.33Å; D163-K218 WeakPolarHBondContact OD1-CE 3.35Å; D163-K218 IonicContact OD1-NZ 3.8Å; D163-K218 PolarHBondContact OD1-NZ 3.37Å; D163-A219 WeakPolarHBondContact CA-O 3.49Å; D163-A219 PolarHBondContact N-O 3.36Å
164E97Very high92.2Very high78 Ų7860.8 Ų60.836%0.36432%0.324SS..  trans-67.9135.5175.8-166.8175.2153.600112.2F160 T161 A162 A219F160-E164 WeakPolarHBondContact CA-OE2 3.41Å; T161-E164 PolarHBondContact N-OE2 3.25Å; T161-E164 WeakPolarHBondContact O-CB 3.3Å; T161-E164 PolarHBondContact O-N 3.07Å; T161-E164 PolarHBondContact OG1-OE2 3.32Å; A162-E164 PolarHBondContact O-N 3.4Å; E164-A219 HydrophobicContact CB-CB 4.32Å; E164-A219 PolarHBondContact O-N 3.45Å
165M95.4Very high92Very high89 Ų8961.7 Ų61.744%0.43833%0.329SS..EExtended strand (participates in β ladder)trans-85.3110.1171.7-76.7-57.5-54.400109.5I167 K218M165-I167 WeakPolarHBondContact CE-O 3.38Å; M165-K218 HydrophobicContact SD-CB 3.61Å; M165-K218 HydrophobicContact SD-CD 4.03Å; M165-K218 HydrophobicContact SD-CG 3.72Å
166I94.9Very high91.7Very high24 Ų2461.7 Ų61.712%0.12333%0.329CS..EExtended strand (participates in β ladder)trans-88-41.2-177.3-63.8158.4000110.6F160 L184 V217 A219 L225F160-I166 HydrophobicContact CB-CD1 4.48Å; F160-I166 HydrophobicContact CD1-CD1 4.32Å; F160-I166 HydrophobicContact CD2-CD1 4.25Å; F160-I166 HydrophobicContact CG-CD1 4.12Å; I166-L184 HydrophobicContact CD1-CD1 4.16Å; I166-L184 HydrophobicContact CD1-CD2 3.3Å; I166-L184 HydrophobicContact CD1-CG 4.36Å; I166-V217 PolarHBondContact N-O 2.72Å; I166-A219 HydrophobicContact CD1-CB 4.15Å; I166-L225 HydrophobicContact CB-CD1 4.48Å; I166-L225 HydrophobicContact CD1-CD1 4.08Å; I166-L225 HydrophobicContact CG1-CD1 4.26Å; I166-L225 HydrophobicContact CG2-CD1 3.39Å
167I94.2Very high91.7Very high10 Ų1059.6 Ų59.65%0.05132%0.321CS..EExtended strand (participates in β ladder)trans-133.5132.8176.4-64.9177.7000107.4M165 Y177 R213 A215 S216 V217M165-I167 WeakPolarHBondContact CE-O 3.38Å; I167-Y177 HydrophobicContact CD1-CD2 4.09Å; I167-Y177 HydrophobicContact CD1-CE2 4.04Å; I167-Y177 HydrophobicContact CG1-CE2 4.08Å; I167-R213 HydrophobicContact CG2-CB 3.64Å; I167-R213 VanDerWaalsContact CG2-CD 3.47Å; I167-R213 HydrophobicContact CG2-CG 3.55Å; I167-A215 VanDerWaalsContact CG2-O 3.26Å; I167-A215 WeakPolarHBondContact CG2-O 3.47Å; I167-S216 CarbonylContact O-C 3.51Å; I167-S216 VanDerWaalsContact O-CA 3.27Å; I167-S216 WeakPolarHBondContact O-CA 3.41Å; I167-V217 HydrophobicContact CB-CB 3.9Å; I167-V217 HydrophobicContact CB-CG2 3.89Å; I167-V217 HydrophobicContact CD1-CG2 4Å; I167-V217 HydrophobicContact CG1-CB 4.36Å; I167-V217 HydrophobicContact CG1-CG2 4.3Å; I167-V217 PolarHBondContact N-O 3.39Å; I167-V217 PolarHBondContact O-N 2.93Å
168T92.9Very high91.6Very high60 Ų6057 Ų5737%0.36830%0.302SS..  trans-105.4134167.9-40.50000108.8D171 R213T168-D171 WeakPolarHBondContact CB-OD2 3.34Å; T168-D171 WeakPolarHBondContact O-CB 3.38Å; T168-D171 PolarHBondContact O-N 3.27Å; T168-D171 PolarHBondContact OG1-OD2 3.14Å; T168-R213 WeakPolarHBondContact O-CB 3.5Å
169E90.2Very high91.7Very high55 Ų5554.8 Ų54.826%0.25729%0.291SS..THydrogen-bonded Turntrans-56137.4171.2-177.1174-17300110.8D171 K188 D189 R213 S216E169-D171 VanDerWaalsContact C-N 3.29Å; E169-D171 PolarHBondContact O-N 3.34Å; E169-K188 WeakPolarHBondContact OE1-CG 3.31Å; E169-K188 WeakPolarHBondContact OE2-CA 3.4Å; E169-D189 PolarHBondContact OE2-N 3.15Å; E169-R213 WeakPolarHBondContact CA-O 3.43Å; E169-S216 VanDerWaalsContact CB-OG 3.31Å; E169-S216 WeakPolarHBondContact CB-OG 3.5Å; E169-S216 PolarHBondContact N-OG 3.48Å
170G83.6Confident91.6Very high41 Ų4148.5 Ų48.542%0.42327%0.268SS..THydrogen-bonded Turntrans87.6-17.7-178.600000115T212 R213G170-T212 WeakPolarHBondContact O-CB 3.22Å; G170-T212 VanDerWaalsContact O-CG2 3.24Å; G170-T212 WeakPolarHBondContact O-CG2 3.48Å; G170-R213 PolarHBondContact N-O 3.28Å
171D84.9Confident91.5Very high83 Ų8352.2 Ų52.244%0.44429%0.288SS..SBendtrans-68.1155.8178.1-73.8-5.5000111.8T168 E169 G173 T212 R213T168-D171 WeakPolarHBondContact CB-OD2 3.34Å; T168-D171 WeakPolarHBondContact O-CB 3.38Å; T168-D171 PolarHBondContact O-N 3.27Å; T168-D171 PolarHBondContact OG1-OD2 3.14Å; E169-D171 VanDerWaalsContact C-N 3.29Å; E169-D171 PolarHBondContact O-N 3.34Å; D171-G173 PolarHBondContact O-N 2.92Å; D171-T212 CarbonylContact O-C 3.55Å; D171-T212 WeakPolarHBondContact O-CA 3.33Å; D171-R213 HydrophobicContact CB-CG 4.16Å; D171-R213 VanDerWaalsContact O-CG 3.26Å; D171-R213 WeakPolarHBondContact O-CG 3.43Å; D171-R213 PolarHBondContact O-N 2.93Å
172Y78.5Confident91.4Very high195 Ų19549.1 Ų49.177%0.76527%0.273SS*.BIsolated β-bridgetrans-73.6121168.6-72.7-83.3000110.3T212Y172-T212 HydrophobicContact CD1-CG2 4.49Å; Y172-T212 HydrophobicContact CE1-CG2 4.35Å
173G76.2Confident91.4Very high1 Ų151.7 Ų51.71%0.0128%0.277CS..PPolyproline II helixtrans-90.6116.718000000113.3D171 R213 R230D171-G173 PolarHBondContact O-N 2.92Å; G173-R213 VanDerWaalsContact CA-NE 3.27Å; G173-R230 PolarHBondContact O-NH2 3.06Å
174S82.7Confident91.5Very high71 Ų7146.2 Ų46.250%0.49725%0.248SC..  trans-107.3-6.9175.959.60000114.4D229 R230S174-D229 CarbonylContact O-C 3.57Å; S174-D229 WeakPolarHBondContact O-CA 3.45Å; S174-R230 PolarHBondContact O-N 3.05Å
175L90.4Very high91.5Very high29 Ų2944.1 Ų44.115%0.15224%0.238CC..EExtended strand (participates in β ladder)trans-126.2138.8-175.4-67.7167.2000111.4Y156 Y177 R213 A227 I228 D229Y156-L175 VanDerWaalsContact OH-CD2 3.29Å; Y156-L175 WeakPolarHBondContact OH-CD2 3.46Å; L175-Y177 HydrophobicContact CB-CE1 4.02Å; L175-Y177 HydrophobicContact CB-CE2 3.9Å; L175-Y177 HydrophobicContact CD1-CE1 4.12Å; L175-Y177 VanDerWaalsContact CD1-OH 3.25Å; L175-Y177 WeakPolarHBondContact CD1-OH 3.29Å; L175-R213 PolarHBondContact O-NH1 2.86Å; L175-R213 PolarHBondContact O-NH2 3.16Å; L175-A227 HydrophobicContact CD2-CB 4.46Å; L175-I228 WeakPolarHBondContact CA-O 3.45Å; L175-D229 HydrophobicContact CD2-CB 4.07Å
176V92Very high91.5Very high2 Ų240.4 Ų40.41%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-98.7137.5163.4-173.60000108.2V201 E204 V207 A227 I228 F233V176-V201 HydrophobicContact CG1-CG1 3.93Å; V176-E204 HydrophobicContact CG1-CB 3.78Å; V176-E204 HydrophobicContact CG2-CB 4.4Å; V176-V207 HydrophobicContact CG2-CB 3.54Å; V176-V207 HydrophobicContact CG2-CG1 3.61Å; V176-V207 HydrophobicContact CG2-CG2 3.62Å; V176-A227 CarbonylContact O-C 2.8Å; V176-A227 VanDerWaalsContact O-CA 3.26Å; V176-A227 WeakPolarHBondContact O-CA 3.34Å; V176-I228 HydrophobicContact CB-CG2 3.82Å; V176-I228 HydrophobicContact CG2-CG2 4.41Å; V176-I228 PolarHBondContact N-O 3.49Å; V176-I228 PolarHBondContact O-N 3.35Å; V176-F233 HydrophobicContact CG2-CD2 4.25Å; V176-F233 HydrophobicContact CG2-CE2 4.5Å; V176-F233 HydrophobicContact CG2-CG 4.35Å
177Y94.9Very high91.4Very high21 Ų2140.3 Ų40.38%0.08222%0.221CC..EExtended strand (participates in β ladder)trans-118.4153.7178.7-50.8-87.5000111.8I158 I167 L175 V201 L202 L225 W226 A227I158-Y177 HydrophobicContact CD1-CE1 4.04Å; I167-Y177 HydrophobicContact CD1-CD2 4.09Å; I167-Y177 HydrophobicContact CD1-CE2 4.04Å; I167-Y177 HydrophobicContact CG1-CE2 4.08Å; L175-Y177 HydrophobicContact CB-CE1 4.02Å; L175-Y177 HydrophobicContact CB-CE2 3.9Å; L175-Y177 HydrophobicContact CD1-CE1 4.12Å; L175-Y177 VanDerWaalsContact CD1-OH 3.25Å; L175-Y177 WeakPolarHBondContact CD1-OH 3.29Å; Y177-V201 CarbonylContact O-C 3.59Å; Y177-V201 VanDerWaalsContact O-CA 3.31Å; Y177-V201 WeakPolarHBondContact O-CA 3.5Å; Y177-L202 PolarHBondContact N-O 3.45Å; Y177-L202 PolarHBondContact O-N 3.48Å; Y177-L225 HydrophobicContact CD1-CB 4.03Å; Y177-L225 HydrophobicContact CD1-CD1 3.73Å; Y177-L225 HydrophobicContact CD1-CG 4.39Å; Y177-L225 HydrophobicContact CE1-CD1 4.16Å; Y177-L225 HydrophobicContact CG-CD1 4.18Å; Y177-W226 CarbonylContact C-O 3.56Å; Y177-W226 WeakPolarHBondContact CA-O 3.19Å; Y177-A227 HydrophobicContact CD1-CB 3.71Å; Y177-A227 HydrophobicContact CE1-CB 3.89Å
178V96.3Very high91.2Very high1 Ų143 Ų431%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-122.1126.1159.9168.60000107.7L129 I130 A133 I134 M155 G180 T200 V201 L225 W226L129-V178 HydrophobicContact CD2-CG1 4.19Å; I130-V178 HydrophobicContact CG1-CG1 4.43Å; I130-V178 HydrophobicContact CG2-CG2 4.38Å; A133-V178 HydrophobicContact CB-CG1 3.6Å; A133-V178 HydrophobicContact CB-CG2 4.34Å; I134-V178 HydrophobicContact CG1-CG2 4.25Å; M155-V178 HydrophobicContact CE-CB 3.99Å; M155-V178 HydrophobicContact CE-CG2 3.69Å; M155-V178 HydrophobicContact SD-CB 4.48Å; M155-V178 HydrophobicContact SD-CG2 4.19Å; V178-G180 PolarHBondContact O-N 3.44Å; V178-T200 WeakPolarHBondContact CA-O 3.09Å; V178-V201 HydrophobicContact CG2-CG2 3.8Å; V178-L225 CarbonylContact O-C 3.5Å; V178-L225 WeakPolarHBondContact O-CA 3.39Å; V178-W226 HydrophobicContact CB-CB 4.27Å; V178-W226 PolarHBondContact N-O 3.48Å; V178-W226 PolarHBondContact O-N 3.4Å
179L97Very high90.9Very high1 Ų146.3 Ų46.31%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-63.5117.1171.9-179.957.1000109.4F160 D181 L184 L196 P199 T200 L202 L225F160-L179 HydrophobicContact CE1-CD1 4.2Å; F160-L179 HydrophobicContact CZ-CD1 4Å; L179-D181 VanDerWaalsContact CD1-O 3.27Å; L179-D181 WeakPolarHBondContact CD1-O 3.5Å; L179-L184 HydrophobicContact CD1-CD1 3.96Å; L179-L184 HydrophobicContact CD1-CG 4.07Å; L179-L184 HydrophobicContact CD2-CD1 4.25Å; L179-L184 HydrophobicContact CD2-CG 4.22Å; L179-L196 HydrophobicContact CD2-CB 4.1Å; L179-P199 VanDerWaalsContact O-CA 3.25Å; L179-P199 WeakPolarHBondContact O-CA 3.5Å; L179-T200 PolarHBondContact N-O 3.21Å; L179-L202 HydrophobicContact CB-CD1 4.46Å; L179-L225 HydrophobicContact CB-CD2 4.48Å; L179-L225 HydrophobicContact CD1-CD2 4.17Å
180G95.5Very high90.7Very high14 Ų1447.3 Ų47.314%0.14427%0.272CS..EExtended strand (participates in β ladder)trans-85-58174.400000111.3V178 T224V178-G180 PolarHBondContact O-N 3.44Å; G180-T224 WeakPolarHBondContact CA-O 3.47Å; G180-T224 PolarHBondContact N-O 2.87Å
181D94.9Very high91Very high84 Ų8454.9 Ų54.945%0.44929%0.288SS..EExtended strand (participates in β ladder)trans-150.1162.8176.87196000110.6F160 L179 G223 T224F160-D181 WeakPolarHBondContact CZ-O 3.33Å; L179-D181 VanDerWaalsContact CD1-O 3.27Å; L179-D181 WeakPolarHBondContact CD1-O 3.5Å; D181-G223 VanDerWaalsContact O-CA 3.26Å; D181-G223 WeakPolarHBondContact O-CA 3.46Å; D181-G223 WeakPolarHBondContact OD1-CA 3.26Å; D181-T224 PolarHBondContact N-O 3.5Å; D181-T224 PolarHBondContact O-N 3.38Å; D181-T224 WeakPolarHBondContact OD2-CB 3.37Å; D181-T224 PolarHBondContact OD2-N 2.85Å; D181-T224 PolarHBondContact OD2-OG1 3.24Å
182G95.3Very high91.4Very high20 Ų2058 Ų5821%0.20630%0.298CS..SBendtrans98.7-177.9-174.500000113T221 N222G182-T221 VanDerWaalsContact CA-OG1 3.27Å; G182-T221 WeakPolarHBondContact CA-OG1 3.45Å; G182-N222 WeakPolarHBondContact CA-O 3.37Å
183K97.6Very high91.9Very high92 Ų9253.7 Ų53.740%0.429%0.288SS..  trans-124.7135.8180-62.6-169.7175-171.30111.2L196 D197 I220 T221K183-L196 CarbonylContact C-O 3.58Å; K183-L196 VanDerWaalsContact CA-O 3.28Å; K183-L196 WeakPolarHBondContact CA-O 3.39Å; K183-D197 HydrophobicContact CD-CB 4.08Å; K183-D197 HydrophobicContact CG-CB 3.8Å; K183-I220 HydrophobicContact CB-CB 4.06Å; K183-I220 HydrophobicContact CB-CD1 4.33Å; K183-I220 WeakPolarHBondContact O-CB 3.42Å; K183-I220 PolarHBondContact O-N 2.82Å; K183-T221 HydrophobicContact CB-CG2 4.2Å; K183-T221 HydrophobicContact CG-CG2 4.36Å; K183-T221 PolarHBondContact N-OG1 3.16Å; K183-T221 PolarHBondContact O-N 3.34Å
184L97.5Very high92.7Very high0 Ų061 Ų610%032%0.315CS..EExtended strand (participates in β ladder)trans-123.3141.5-179.3-55.4-177.7000111.1F160 I166 L179 V195 L196 L202 V217 K218 A219 L225F160-L184 HydrophobicContact CD2-CD2 4.4Å; F160-L184 HydrophobicContact CE1-CD2 4.38Å; F160-L184 HydrophobicContact CE2-CD2 3.66Å; F160-L184 HydrophobicContact CZ-CD2 3.65Å; F160-L184 HydrophobicContact CZ-CG 4.47Å; I166-L184 HydrophobicContact CD1-CD1 4.16Å; I166-L184 HydrophobicContact CD1-CD2 3.3Å; I166-L184 HydrophobicContact CD1-CG 4.36Å; L179-L184 HydrophobicContact CD1-CD1 3.96Å; L179-L184 HydrophobicContact CD1-CG 4.07Å; L179-L184 HydrophobicContact CD2-CD1 4.25Å; L179-L184 HydrophobicContact CD2-CG 4.22Å; L184-V195 CarbonylContact O-C 3.51Å; L184-V195 VanDerWaalsContact O-CA 3.3Å; L184-V195 WeakPolarHBondContact O-CA 3.02Å; L184-L196 HydrophobicContact CB-CB 4.41Å; L184-L196 PolarHBondContact N-O 3.27Å; L184-L196 PolarHBondContact O-N 2.69Å; L184-L202 HydrophobicContact CD1-CD1 3.41Å; L184-L202 VanDerWaalsContact CD1-CD1 3.41Å; L184-V217 HydrophobicContact CB-CG1 3.92Å; L184-V217 HydrophobicContact CD1-CG1 3.85Å; L184-V217 HydrophobicContact CG-CG1 4.37Å; L184-K218 CarbonylContact C-O 3.58Å; L184-K218 WeakPolarHBondContact CA-O 3.4Å; L184-A219 HydrophobicContact CD2-CB 4.13Å; L184-L225 HydrophobicContact CD1-CD2 4.12Å
185E97Very high93.3Very high34 Ų3461.3 Ų61.316%0.15931%0.314CS..EExtended strand (participates in β ladder)trans-100.3126.5171.1-175.9167.9100.400109.8K192 V217 K218 I220E185-K192 VanDerWaalsContact CD-CD 3.48Å; E185-K192 VanDerWaalsContact CD-NZ 3.28Å; E185-K192 HydrophobicContact CG-CD 4.4Å; E185-K192 HydrophobicContact CG-CG 4.31Å; E185-K192 WeakPolarHBondContact OE1-CE 3.22Å; E185-K192 IonicContact OE1-NZ 3.88Å; E185-K192 PolarHBondContact OE1-NZ 3.13Å; E185-K192 VanDerWaalsContact OE1-NZ 3.15Å; E185-K192 VanDerWaalsContact OE2-CD 3.24Å; E185-K192 WeakPolarHBondContact OE2-CD 3.49Å; E185-K192 WeakPolarHBondContact OE2-CE 3.39Å; E185-K192 IonicContact OE2-NZ 3.72Å; E185-K192 PolarHBondContact OE2-NZ 3.19Å; E185-V217 WeakPolarHBondContact O-CA 3.35Å; E185-K218 PolarHBondContact N-O 3.39Å; E185-K218 PolarHBondContact O-N 2.88Å; E185-I220 HydrophobicContact CB-CD1 3.92Å; E185-I220 HydrophobicContact CB-CG1 3.99Å
186I94.9Very high93.5Very high11 Ų1160.5 Ų60.56%0.05631%0.309CS..EExtended strand (participates in β ladder)trans-99.1129.6170.7-60-179.9000108.5L193 R194 L196 L202 A215 S216 V217I186-L193 HydrophobicContact CG2-CB 4.36Å; I186-L193 HydrophobicContact CG2-CD1 4.19Å; I186-L193 PolarHBondContact O-N 3.32Å; I186-R194 HydrophobicContact CB-CG 4.08Å; I186-R194 HydrophobicContact CD1-CG 4.03Å; I186-R194 HydrophobicContact CG1-CG 4.37Å; I186-R194 PolarHBondContact N-O 2.97Å; I186-R194 PolarHBondContact O-N 2.6Å; I186-L196 HydrophobicContact CD1-CD1 3.43Å; I186-L196 VanDerWaalsContact CD1-CD1 3.43Å; I186-L196 HydrophobicContact CD1-CD2 4.35Å; I186-L196 HydrophobicContact CD1-CG 3.82Å; I186-L196 HydrophobicContact CG1-CD1 4.15Å; I186-L196 HydrophobicContact CG1-CG 4.33Å; I186-L202 HydrophobicContact CD1-CD2 4.44Å; I186-A215 HydrophobicContact CG2-CB 3.83Å; I186-S216 WeakPolarHBondContact CA-O 3.45Å; I186-V217 HydrophobicContact CG1-CG2 4.22Å
187S93.8Very high93.5Very high22 Ų2265.3 Ų65.315%0.15434%0.335CS..EExtended strand (participates in β ladder)trans-132.9148.3173.5570000111.4R191 A215 S216S187-R191 CarbonylContact C-O 3.49Å; S187-R191 WeakPolarHBondContact CA-O 3.48Å; S187-R191 WeakPolarHBondContact CB-O 3.45Å; S187-A215 CarbonylContact O-C 3.57Å; S187-A215 WeakPolarHBondContact O-CB 3.22Å; S187-S216 PolarHBondContact N-O 2.82Å; S187-S216 PolarHBondContact O-N 3.08Å
188K89.2Confident93.4Very high67 Ų6771.3 Ų71.329%0.29136%0.357SS..EExtended strand (participates in β ladder)trans-136.2134.4174.3-172.9179.1-177.6173.10108.5E169 G190 R191 L193 T214 A215 D607E169-K188 WeakPolarHBondContact OE1-CG 3.31Å; E169-K188 WeakPolarHBondContact OE2-CA 3.4Å; K188-G190 PolarHBondContact O-N 3.41Å; K188-G190 VanDerWaalsContact O-N 3.16Å; K188-R191 PolarHBondContact N-O 3.34Å; K188-R191 WeakPolarHBondContact O-CB 3.3Å; K188-R191 PolarHBondContact O-N 2.81Å; K188-L193 HydrophobicContact CB-CD1 3.63Å; K188-L193 HydrophobicContact CB-CD2 4.49Å; K188-L193 HydrophobicContact CB-CG 4.12Å; K188-T214 WeakPolarHBondContact CD-O 3.36Å; K188-T214 WeakPolarHBondContact CE-O 3.45Å; K188-A215 HydrophobicContact CB-CB 4.38Å; K188-D607 IonicContact NZ-OD2 3.55Å
189D87.5Confident93.3Very high129 Ų12973.5 Ų73.569%0.6937%0.371SS*.THydrogen-bonded Turntrans5238.1-176.3-59.5-57.4000112.4E169 R191E169-D189 PolarHBondContact OE2-N 3.15Å; D189-R191 PolarHBondContact O-N 3.11Å; D189-R191 VanDerWaalsContact O-N 3.1Å
190G85.2Confident93.1Very high75 Ų7574.7 Ų74.777%0.77338%0.379SS*.THydrogen-bonded Turntrans70.3-1.9-176.200000115.7K188K188-G190 PolarHBondContact O-N 3.41Å; K188-G190 VanDerWaalsContact O-N 3.16Å
191R90.6Very high93Very high201 Ų20174.4 Ų74.476%0.75837%0.374SS*.EExtended strand (participates in β ladder)trans-91.5127.9175.4-67.1-174.4179.9-174.81.6110.8S187 K188 D189 L193S187-R191 CarbonylContact C-O 3.49Å; S187-R191 WeakPolarHBondContact CA-O 3.48Å; S187-R191 WeakPolarHBondContact CB-O 3.45Å; K188-R191 PolarHBondContact N-O 3.34Å; K188-R191 WeakPolarHBondContact O-CB 3.3Å; K188-R191 PolarHBondContact O-N 2.81Å; D189-R191 PolarHBondContact O-N 3.11Å; D189-R191 VanDerWaalsContact O-N 3.1Å; R191-L193 PolarHBondContact O-N 3.32Å
192K92.1Very high92.8Very high147 Ų14770.7 Ų70.764%0.63935%0.354SS*.EExtended strand (participates in β ladder)trans-65.8119.6171.8-62.5-175.9-179.8-150.50109.4E185E185-K192 VanDerWaalsContact CD-CD 3.48Å; E185-K192 VanDerWaalsContact CD-NZ 3.28Å; E185-K192 HydrophobicContact CG-CD 4.4Å; E185-K192 HydrophobicContact CG-CG 4.31Å; E185-K192 WeakPolarHBondContact OE1-CE 3.22Å; E185-K192 IonicContact OE1-NZ 3.88Å; E185-K192 PolarHBondContact OE1-NZ 3.13Å; E185-K192 VanDerWaalsContact OE1-NZ 3.15Å; E185-K192 VanDerWaalsContact OE2-CD 3.24Å; E185-K192 WeakPolarHBondContact OE2-CD 3.49Å; E185-K192 WeakPolarHBondContact OE2-CE 3.39Å; E185-K192 IonicContact OE2-NZ 3.72Å; E185-K192 PolarHBondContact OE2-NZ 3.19Å
193L89.5Confident92.4Very high106 Ų10670.5 Ų70.556%0.55535%0.352SS*.EExtended strand (participates in β ladder)trans-91.2-52.3180-64.8-177.1000111.2I186 K188 R191I186-L193 HydrophobicContact CG2-CB 4.36Å; I186-L193 HydrophobicContact CG2-CD1 4.19Å; I186-L193 PolarHBondContact O-N 3.32Å; K188-L193 HydrophobicContact CB-CD1 3.63Å; K188-L193 HydrophobicContact CB-CD2 4.49Å; K188-L193 HydrophobicContact CB-CG 4.12Å; R191-L193 PolarHBondContact O-N 3.32Å
194R93.3Very high91.7Very high155 Ų15567 Ų6759%0.58534%0.337SS*.EExtended strand (participates in β ladder)trans-160.9161-177.760.9-177.2172-164.70.4111.9I186 L196I186-R194 HydrophobicContact CB-CG 4.08Å; I186-R194 HydrophobicContact CD1-CG 4.03Å; I186-R194 HydrophobicContact CG1-CG 4.37Å; I186-R194 PolarHBondContact N-O 2.97Å; I186-R194 PolarHBondContact O-N 2.6Å; R194-L196 HydrophobicContact CG-CD2 4.37Å
195V95.3Very high90.7Very high77 Ų7768.1 Ų68.147%0.46734%0.343SS..EExtended strand (participates in β ladder)trans-106.7135.7167.7175.20000108.3L184 I220L184-V195 CarbonylContact O-C 3.51Å; L184-V195 VanDerWaalsContact O-CA 3.3Å; L184-V195 WeakPolarHBondContact O-CA 3.02Å; V195-I220 HydrophobicContact CB-CD1 4.42Å; V195-I220 HydrophobicContact CG1-CD1 3.63Å; V195-I220 HydrophobicContact CG2-CD1 3.94Å
196L93.5Very high89.6Confident12 Ų1266.6 Ų66.66%0.06334%0.336CS..EExtended strand (participates in β ladder)trans-107.3124.2174.5-59.5-178.8000109.4L179 K183 L184 I186 R194 T200 L202L179-L196 HydrophobicContact CD2-CB 4.1Å; K183-L196 CarbonylContact C-O 3.58Å; K183-L196 VanDerWaalsContact CA-O 3.28Å; K183-L196 WeakPolarHBondContact CA-O 3.39Å; L184-L196 HydrophobicContact CB-CB 4.41Å; L184-L196 PolarHBondContact N-O 3.27Å; L184-L196 PolarHBondContact O-N 2.69Å; I186-L196 HydrophobicContact CD1-CD1 3.43Å; I186-L196 VanDerWaalsContact CD1-CD1 3.43Å; I186-L196 HydrophobicContact CD1-CD2 4.35Å; I186-L196 HydrophobicContact CD1-CG 3.82Å; I186-L196 HydrophobicContact CG1-CD1 4.15Å; I186-L196 HydrophobicContact CG1-CG 4.33Å; R194-L196 HydrophobicContact CG-CD2 4.37Å; L196-T200 HydrophobicContact CD1-CG2 4.12Å; L196-T200 HydrophobicContact CD2-CG2 4.29Å; L196-L202 HydrophobicContact CD1-CD2 3.15Å; L196-L202 HydrophobicContact CD1-CG 4.39Å
197D92.7Very high88.7Confident102 Ų10266 Ų6655%0.54533%0.333SS..  trans-132.29.6177.762.8-6.5000112.8K183K183-D197 HydrophobicContact CD-CB 4.08Å; K183-D197 HydrophobicContact CG-CB 3.8Å
198R93.1Very high87.6Confident148 Ų14866.4 Ų66.456%0.55833%0.333SS*.SBendtrans-126.8156.7176.665.1177.5-179.7140.60.9111E136 T200E136-R198 IonicContact OE2-CZ 3.84Å; E136-R198 IonicContact OE2-NH1 2.66Å; E136-R198 PolarHBondContact OE2-NH1 3.42Å; R198-T200 PolarHBondContact O-N 2.67Å; R198-T200 VanDerWaalsContact O-N 3.07Å; R198-T200 PolarHBondContact O-OG1 2.95Å
199P93.4Very high86.6Confident46 Ų4663.5 Ų63.530%0.29932%0.321SS..  trans-51.7117.1176.8-28.236.8000112.2L129 A133 L179L129-P199 HydrophobicContact CD1-CB 4.45Å; L129-P199 HydrophobicContact CD1-CG 3.7Å; L129-P199 HydrophobicContact CD2-CB 3.74Å; L129-P199 HydrophobicContact CD2-CG 3.91Å; L129-P199 HydrophobicContact CG-CB 3.8Å; L129-P199 HydrophobicContact CG-CG 3.53Å; A133-P199 HydrophobicContact CB-CB 4Å; L179-P199 VanDerWaalsContact O-CA 3.25Å; L179-P199 WeakPolarHBondContact O-CA 3.5Å
200T93.3Very high85.8Confident27 Ų2759.3 Ų59.317%0.16630%0.298CS..  trans-146.5139.7-172.7-51.50000108.9V178 L179 L196 R198 L202V178-T200 WeakPolarHBondContact CA-O 3.09Å; L179-T200 PolarHBondContact N-O 3.21Å; L196-T200 HydrophobicContact CD1-CG2 4.12Å; L196-T200 HydrophobicContact CD2-CG2 4.29Å; R198-T200 PolarHBondContact O-N 2.67Å; R198-T200 VanDerWaalsContact O-N 3.07Å; R198-T200 PolarHBondContact O-OG1 2.95Å; T200-L202 HydrophobicContact CG2-CD2 4.26Å
201V93.4Very high85Confident7 Ų757.1 Ų57.14%0.04227%0.271CS..EExtended strand (participates in β ladder)trans-73.9139.7171.6176.60000110.3A133 I134 N137 M140 V176 Y177 V178 E204A133-V201 WeakPolarHBondContact O-CG2 3.46Å; I134-V201 HydrophobicContact CB-CG2 4.5Å; I134-V201 HydrophobicContact CG1-CG2 3.95Å; N137-V201 HydrophobicContact CB-CB 4.28Å; N137-V201 HydrophobicContact CB-CG2 4.14Å; M140-V201 HydrophobicContact SD-CG1 3.75Å; M140-V201 HydrophobicContact SD-CG2 4.34Å; V176-V201 HydrophobicContact CG1-CG1 3.93Å; Y177-V201 CarbonylContact O-C 3.59Å; Y177-V201 VanDerWaalsContact O-CA 3.31Å; Y177-V201 WeakPolarHBondContact O-CA 3.5Å; V178-V201 HydrophobicContact CG2-CG2 3.8Å; V201-E204 HydrophobicContact CG1-CB 3.74Å; V201-E204 HydrophobicContact CG1-CG 3.94Å
202L91.6Very high84.4Confident7 Ų750.4 Ų50.44%0.03725%0.252CS..EExtended strand (participates in β ladder)trans-139.5140.1-178.4-43.8165.1000110.6Y177 L179 L184 I186 L196 T200 E204 L225Y177-L202 PolarHBondContact N-O 3.45Å; Y177-L202 PolarHBondContact O-N 3.48Å; L179-L202 HydrophobicContact CB-CD1 4.46Å; L184-L202 HydrophobicContact CD1-CD1 3.41Å; L184-L202 VanDerWaalsContact CD1-CD1 3.41Å; I186-L202 HydrophobicContact CD1-CD2 4.44Å; L196-L202 HydrophobicContact CD1-CD2 3.15Å; L196-L202 HydrophobicContact CD1-CG 4.39Å; T200-L202 HydrophobicContact CG2-CD2 4.26Å; L202-E204 VanDerWaalsContact C-OE2 3.27Å; L202-E204 PolarHBondContact O-N 3.39Å; L202-L225 HydrophobicContact CD1-CD2 4.23Å
203G85.1Confident84.1Confident15 Ų1544.1 Ų44.116%0.15523%0.225CC..SBendtrans756.6171.300000114.5L205 R213G203-L205 PolarHBondContact O-N 2.92Å; G203-R213 PolarHBondContact O-NH1 3.35Å
204E84.3Confident83.8Confident18 Ų1841.4 Ų41.48%0.08421%0.212CC..Hα-helixtrans-57.3-36.9173.274.5-74.6-162.700112.1N137 M140 V176 V201 L202 A206 V207 L208N137-E204 PolarHBondContact ND2-OE1 3.34Å; M140-E204 HydrophobicContact SD-CB 3.99Å; M140-E204 HydrophobicContact SD-CG 4.39Å; V176-E204 HydrophobicContact CG1-CB 3.78Å; V176-E204 HydrophobicContact CG2-CB 4.4Å; V201-E204 HydrophobicContact CG1-CB 3.74Å; V201-E204 HydrophobicContact CG1-CG 3.94Å; L202-E204 VanDerWaalsContact C-OE2 3.27Å; L202-E204 PolarHBondContact O-N 3.39Å; E204-A206 PolarHBondContact O-N 3.25Å; E204-V207 CarbonylContact O-C 3.47Å; E204-V207 PolarHBondContact O-N 3.36Å; E204-V207 VanDerWaalsContact O-N 3.07Å; E204-L208 HydrophobicContact CB-CD1 4.05Å; E204-L208 HydrophobicContact CG-CD1 4.04Å; E204-L208 WeakPolarHBondContact O-CB 3.47Å; E204-L208 WeakPolarHBondContact O-CG 3.24Å; E204-L208 PolarHBondContact O-N 3.05Å
205L75.8Confident83.6Confident24 Ų2434.9 Ų34.913%0.12619%0.191CC..Hα-helixtrans-65.7-42-171.8-52.3171.5000112.4F139 G203 V207 Y209 M609F139-L205 HydrophobicContact CD2-CD2 3.69Å; F139-L205 HydrophobicContact CE2-CD2 3.68Å; F139-L205 HydrophobicContact CG-CD2 4.35Å; F139-L205 HydrophobicContact CZ-CD2 4.33Å; G203-L205 PolarHBondContact O-N 2.92Å; L205-V207 PolarHBondContact O-N 3.37Å; L205-Y209 HydrophobicContact CB-CD2 4.25Å; L205-Y209 HydrophobicContact CD2-CD2 4.3Å; L205-Y209 HydrophobicContact CD2-CE2 3.84Å; L205-Y209 WeakPolarHBondContact O-CB 3.3Å; L205-Y209 WeakPolarHBondContact O-CD2 3.16Å; L205-Y209 PolarHBondContact O-N 2.93Å; L205-M609 HydrophobicContact CB-CE 3.94Å; L205-M609 HydrophobicContact CB-SD 3.93Å; L205-M609 HydrophobicContact CD1-CG 3.7Å; L205-M609 HydrophobicContact CD1-SD 4.14Å; L205-M609 HydrophobicContact CD2-CG 4.11Å; L205-M609 HydrophobicContact CD2-SD 3.64Å; L205-M609 HydrophobicContact CG-CG 4.3Å; L205-M609 HydrophobicContact CG-SD 4.07Å
206A74.2Confident83.6Confident2 Ų232 Ų322%0.01718%0.175CC..Hα-helixtrans-65.8-28.7176.300000112.2E204 N210 C211 R230E204-A206 PolarHBondContact O-N 3.25Å; A206-N210 WeakPolarHBondContact O-CA 3.22Å; A206-N210 PolarHBondContact O-N 3.41Å; A206-C211 WeakPolarHBondContact CA-O 3.4Å; A206-C211 VanDerWaalsContact CB-O 3.24Å; A206-C211 WeakPolarHBondContact CB-O 3.39Å; A206-R230 PolarHBondContact O-NH2 3.24Å
207V76.1Confident83.7Confident0 Ų031.8 Ų31.80%017%0.174CC..Hα-helixtrans-83.8-43.3179.5169.60000111.7V176 E204 L205 R230 F233V176-V207 HydrophobicContact CG2-CB 3.54Å; V176-V207 HydrophobicContact CG2-CG1 3.61Å; V176-V207 HydrophobicContact CG2-CG2 3.62Å; E204-V207 CarbonylContact O-C 3.47Å; E204-V207 PolarHBondContact O-N 3.36Å; E204-V207 VanDerWaalsContact O-N 3.07Å; L205-V207 PolarHBondContact O-N 3.37Å; V207-R230 HydrophobicContact CG1-CB 3.82Å; V207-R230 HydrophobicContact CG1-CG 3.97Å; V207-R230 HydrophobicContact CG2-CB 4.31Å; V207-F233 HydrophobicContact CG1-CB 4.3Å; V207-F233 HydrophobicContact CG1-CD1 3.76Å; V207-F233 HydrophobicContact CG1-CE1 4.43Å; V207-F233 HydrophobicContact CG1-CG 4.17Å
208L70Confident83.9Confident29 Ų2930.2 Ų30.215%0.15216%0.162CC..Hα-helixtrans-68-45179.6-79.7164.9000111.7F139 M140 E204 F233 L237F139-L208 HydrophobicContact CB-CD1 4.4Å; M140-L208 HydrophobicContact CG-CD1 4.48Å; E204-L208 HydrophobicContact CB-CD1 4.05Å; E204-L208 HydrophobicContact CG-CD1 4.04Å; E204-L208 WeakPolarHBondContact O-CB 3.47Å; E204-L208 WeakPolarHBondContact O-CG 3.24Å; E204-L208 PolarHBondContact O-N 3.05Å; L208-F233 HydrophobicContact CD2-CE1 3.52Å; L208-F233 HydrophobicContact CD2-CZ 4.07Å; L208-F233 HydrophobicContact CG-CE1 3.91Å; L208-F233 HydrophobicContact CG-CZ 4.38Å; L208-L237 HydrophobicContact CD2-CD1 4.14Å
209Y69.7Low84.1Confident7 Ų723.2 Ų23.23%0.02714%0.136CC..SBendtrans-114.111.7-165.2-50.6-57.3000113.8F139 L205 C211 F563 I575 M609 Y612F139-Y209 HydrophobicContact CD1-CE2 4.4Å; F139-Y209 WeakPolarHBondContact CD1-OH 3.34Å; L205-Y209 HydrophobicContact CB-CD2 4.25Å; L205-Y209 HydrophobicContact CD2-CD2 4.3Å; L205-Y209 HydrophobicContact CD2-CE2 3.84Å; L205-Y209 WeakPolarHBondContact O-CB 3.3Å; L205-Y209 WeakPolarHBondContact O-CD2 3.16Å; L205-Y209 PolarHBondContact O-N 2.93Å; Y209-C211 PolarHBondContact O-N 3.4Å; Y209-C211 VanDerWaalsContact O-N 3.09Å; Y209-F563 VanDerWaalsContact CA-CE1 3.44Å; Y209-F563 HydrophobicContact CD1-CD2 4.35Å; Y209-F563 HydrophobicContact CD1-CE1 4.07Å; Y209-F563 AromaticContact CD1-CE2 3.59Å; Y209-F563 HydrophobicContact CD1-CE2 3.59Å; Y209-F563 AromaticContact CD1-CZ 3.43Å; Y209-F563 HydrophobicContact CD1-CZ 3.43Å; Y209-F563 VanDerWaalsContact CD1-CZ 3.43Å; Y209-F563 HydrophobicContact CE1-CE2 4.23Å; Y209-F563 HydrophobicContact CE1-CZ 4.37Å; Y209-F563 HydrophobicContact CG-CE1 4.4Å; Y209-F563 HydrophobicContact CG-CZ 4.09Å; Y209-F563 VanDerWaalsContact O-CE1 3.31Å; Y209-F563 WeakPolarHBondContact O-CE1 3.4Å; Y209-I575 HydrophobicContact CE1-CG2 3.96Å; Y209-M609 HydrophobicContact CD2-CE 3.55Å; Y209-M609 HydrophobicContact CD2-SD 3.34Å; Y209-M609 WeakPolarHBondContact CD2-SD 3.47Å; Y209-M609 HydrophobicContact CE2-CE 4.32Å; Y209-M609 HydrophobicContact CE2-SD 3.48Å; Y209-M609 WeakPolarHBondContact CE2-SD 3.02Å; Y209-M609 HydrophobicContact CG-CE 4.24Å; Y209-M609 HydrophobicContact CG-SD 4.38Å; Y209-Y612 HydrophobicContact CD1-CD2 4.12Å; Y209-Y612 AromaticContact CD1-CE2 3.74Å; Y209-Y612 HydrophobicContact CD1-CE2 3.74Å; Y209-Y612 HydrophobicContact CD2-CD2 4.03Å; Y209-Y612 AromaticContact CD2-CE2 3.79Å; Y209-Y612 HydrophobicContact CD2-CE2 3.79Å; Y209-Y612 HydrophobicContact CE1-CD2 4.01Å; Y209-Y612 HydrophobicContact CE1-CE2 4.11Å; Y209-Y612 AromaticContact CE2-CD2 3.89Å; Y209-Y612 HydrophobicContact CE2-CD2 3.89Å; Y209-Y612 HydrophobicContact CE2-CE2 4.15Å; Y209-Y612 HydrophobicContact CG-CD2 4.11Å; Y209-Y612 AromaticContact CG-CE2 3.54Å; Y209-Y612 HydrophobicContact CG-CE2 3.54Å; Y209-Y612 AromaticContact CZ-CD2 3.87Å
210N68.8Low84.3Confident40 Ų4024.4 Ų24.421%0.21414%0.139CC..  trans45.439.7-176.4-163.433.9000114.3S103 A104 A206 R230S103-N210 PolarHBondContact O-ND2 3.49Å; A104-N210 WeakPolarHBondContact CA-ND2 3.2Å; A104-N210 HydrophobicContact CB-CB 4.15Å; A206-N210 WeakPolarHBondContact O-CA 3.22Å; A206-N210 PolarHBondContact O-N 3.41Å; N210-R230 PolarHBondContact OD1-NH1 2.98Å; N210-R230 PolarHBondContact OD1-NH2 2.82Å
211C68.4Low84.5Confident29 Ų2925.6 Ų25.620%0.19615%0.147CC..PPolyproline II helixtrans-97.9167.2173.771.40000111.1A206 Y209A206-C211 WeakPolarHBondContact CA-O 3.4Å; A206-C211 VanDerWaalsContact CB-O 3.24Å; A206-C211 WeakPolarHBondContact CB-O 3.39Å; Y209-C211 PolarHBondContact O-N 3.4Å; Y209-C211 VanDerWaalsContact O-N 3.09Å
212T78.7Confident84.7Confident60 Ų6030.3 Ų30.337%0.36817%0.171SC..BIsolated β-bridgetrans-68.2162.6166.2540000110.4G170 D171 Y172 T214G170-T212 WeakPolarHBondContact O-CB 3.22Å; G170-T212 VanDerWaalsContact O-CG2 3.24Å; G170-T212 WeakPolarHBondContact O-CG2 3.48Å; D171-T212 CarbonylContact O-C 3.55Å; D171-T212 WeakPolarHBondContact O-CA 3.33Å; Y172-T212 HydrophobicContact CD1-CG2 4.49Å; Y172-T212 HydrophobicContact CE1-CG2 4.35Å; T212-T214 PolarHBondContact O-N 3.27Å
213R86.3Confident85Confident16 Ų1630.2 Ų30.26%0.0617%0.173CC..PPolyproline II helixtrans-59.2122.5175.2-65.8-65.7-162.1-166.93.2109.2I167 T168 E169 G170 D171 G173 L175 G203 A215I167-R213 HydrophobicContact CG2-CB 3.64Å; I167-R213 VanDerWaalsContact CG2-CD 3.47Å; I167-R213 HydrophobicContact CG2-CG 3.55Å; T168-R213 WeakPolarHBondContact O-CB 3.5Å; E169-R213 WeakPolarHBondContact CA-O 3.43Å; G170-R213 PolarHBondContact N-O 3.28Å; D171-R213 HydrophobicContact CB-CG 4.16Å; D171-R213 VanDerWaalsContact O-CG 3.26Å; D171-R213 WeakPolarHBondContact O-CG 3.43Å; D171-R213 PolarHBondContact O-N 2.93Å; G173-R213 VanDerWaalsContact CA-NE 3.27Å; L175-R213 PolarHBondContact O-NH1 2.86Å; L175-R213 PolarHBondContact O-NH2 3.16Å; G203-R213 PolarHBondContact O-NH1 3.35Å; R213-A215 VanDerWaalsContact C-N 3.34Å; R213-A215 PolarHBondContact O-N 3.22Å
214T83.2Confident85.5Confident49 Ų4929.7 Ų29.730%0.30117%0.166SC..SBendtrans-83.7-9.6-171.554.20000114.5K188 T212K188-T214 WeakPolarHBondContact CD-O 3.36Å; K188-T214 WeakPolarHBondContact CE-O 3.45Å; T212-T214 PolarHBondContact O-N 3.27Å
215A89.4Confident86.1Confident17 Ų1729 Ų2914%0.1416%0.163CC..SBendtrans-158.4155.2179.200000109.6I167 I186 S187 K188 R213I167-A215 VanDerWaalsContact CG2-O 3.26Å; I167-A215 WeakPolarHBondContact CG2-O 3.47Å; I186-A215 HydrophobicContact CG2-CB 3.83Å; S187-A215 CarbonylContact O-C 3.57Å; S187-A215 WeakPolarHBondContact O-CB 3.22Å; K188-A215 HydrophobicContact CB-CB 4.38Å; R213-A215 VanDerWaalsContact C-N 3.34Å; R213-A215 PolarHBondContact O-N 3.22Å
216S94.6Very high87.2Confident18 Ų1829.2 Ų29.213%0.12616%0.162CC..EExtended strand (participates in β ladder)trans-85142.3172.3-66.60000110.8I167 E169 I186 S187I167-S216 CarbonylContact O-C 3.51Å; I167-S216 VanDerWaalsContact O-CA 3.27Å; I167-S216 WeakPolarHBondContact O-CA 3.41Å; E169-S216 VanDerWaalsContact CB-OG 3.31Å; E169-S216 WeakPolarHBondContact CB-OG 3.5Å; E169-S216 PolarHBondContact N-OG 3.48Å; I186-S216 WeakPolarHBondContact CA-O 3.45Å; S187-S216 PolarHBondContact N-O 2.82Å; S187-S216 PolarHBondContact O-N 3.08Å
217V96.1Very high88.2Confident7 Ų729.1 Ų29.14%0.04216%0.161CC..EExtended strand (participates in β ladder)trans-127.8116.8177.5-173.10000109.7I166 I167 L184 E185 I186I166-V217 PolarHBondContact N-O 2.72Å; I167-V217 HydrophobicContact CB-CB 3.9Å; I167-V217 HydrophobicContact CB-CG2 3.89Å; I167-V217 HydrophobicContact CD1-CG2 4Å; I167-V217 HydrophobicContact CG1-CB 4.36Å; I167-V217 HydrophobicContact CG1-CG2 4.3Å; I167-V217 PolarHBondContact N-O 3.39Å; I167-V217 PolarHBondContact O-N 2.93Å; L184-V217 HydrophobicContact CB-CG1 3.92Å; L184-V217 HydrophobicContact CD1-CG1 3.85Å; L184-V217 HydrophobicContact CG-CG1 4.37Å; E185-V217 WeakPolarHBondContact O-CA 3.35Å; I186-V217 HydrophobicContact CG1-CG2 4.22Å
218K96.9Very high89.1Confident69 Ų6929.2 Ų29.230%0.316%0.162SC..EExtended strand (participates in β ladder)trans-115.1137.6-180-171.9177.5170.8-172.50111D163 M165 L184 E185D163-K218 VanDerWaalsContact CA-CE 3.46Å; D163-K218 VanDerWaalsContact O-CE 3.3Å; D163-K218 WeakPolarHBondContact O-CE 3.33Å; D163-K218 WeakPolarHBondContact OD1-CE 3.35Å; D163-K218 IonicContact OD1-NZ 3.8Å; D163-K218 PolarHBondContact OD1-NZ 3.37Å; M165-K218 HydrophobicContact SD-CB 3.61Å; M165-K218 HydrophobicContact SD-CD 4.03Å; M165-K218 HydrophobicContact SD-CG 3.72Å; L184-K218 CarbonylContact C-O 3.58Å; L184-K218 WeakPolarHBondContact CA-O 3.4Å; E185-K218 PolarHBondContact N-O 3.39Å; E185-K218 PolarHBondContact O-N 2.88Å
219A97.5Very high90Very high1 Ų130.1 Ų30.11%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-72.3128.4173.900000111.8F160 T161 D163 E164 I166 L184F160-A219 HydrophobicContact CD2-CB 3.46Å; F160-A219 VanDerWaalsContact CD2-CB 3.46Å; F160-A219 HydrophobicContact CE2-CB 3.8Å; F160-A219 HydrophobicContact CG-CB 4.47Å; T161-A219 WeakPolarHBondContact O-CB 3.33Å; D163-A219 WeakPolarHBondContact CA-O 3.49Å; D163-A219 PolarHBondContact N-O 3.36Å; E164-A219 HydrophobicContact CB-CB 4.32Å; E164-A219 PolarHBondContact O-N 3.45Å; I166-A219 HydrophobicContact CD1-CB 4.15Å; L184-A219 HydrophobicContact CD2-CB 4.13Å
220I97.2Very high90.7Very high71 Ų7131.5 Ų31.536%0.36417%0.172SC..SBendtrans-90.5-38171.7-63.4163000110.3K183 E185 V195K183-I220 HydrophobicContact CB-CB 4.06Å; K183-I220 HydrophobicContact CB-CD1 4.33Å; K183-I220 WeakPolarHBondContact O-CB 3.42Å; K183-I220 PolarHBondContact O-N 2.82Å; E185-I220 HydrophobicContact CB-CD1 3.92Å; E185-I220 HydrophobicContact CB-CG1 3.99Å; V195-I220 HydrophobicContact CB-CD1 4.42Å; V195-I220 HydrophobicContact CG1-CD1 3.63Å; V195-I220 HydrophobicContact CG2-CD1 3.94Å
221T97.8Very high91.3Very high52 Ų5232.7 Ų32.732%0.31918%0.181SC..SBendtrans-124169.5176.767.70000109.9F160 G182 K183F160-T221 WeakPolarHBondContact CD2-O 3.45Å; F160-T221 WeakPolarHBondContact CE2-O 3.22Å; G182-T221 VanDerWaalsContact CA-OG1 3.27Å; G182-T221 WeakPolarHBondContact CA-OG1 3.45Å; K183-T221 HydrophobicContact CB-CG2 4.2Å; K183-T221 HydrophobicContact CG-CG2 4.36Å; K183-T221 PolarHBondContact N-OG1 3.16Å; K183-T221 PolarHBondContact O-N 3.34Å
222N97.5Very high92.3Very high105 Ų10532 Ų3256%0.56118%0.176SC*.  trans-63.3154.3163.4-59-8.3000109.7F160 T161 A162 G182F160-N222 WeakPolarHBondContact O-CA 3.16Å; T161-N222 WeakPolarHBondContact CA-OD1 3.08Å; A162-N222 PolarHBondContact N-OD1 3.28Å; G182-N222 WeakPolarHBondContact CA-O 3.37Å
223G96.6Very high92.7Very high6 Ų629.2 Ų29.26%0.06216%0.159CC..EExtended strand (participates in β ladder)trans-178.4-162.3177.300000114.9F160 D181F160-G223 VanDerWaalsContact CZ-CA 3.46Å; F160-G223 PolarHBondContact N-O 3.09Å; F160-G223 VanDerWaalsContact N-O 3.08Å; F160-G223 PolarHBondContact O-N 3.28Å; D181-G223 VanDerWaalsContact O-CA 3.26Å; D181-G223 WeakPolarHBondContact O-CA 3.46Å; D181-G223 WeakPolarHBondContact OD1-CA 3.26Å
224T97Very high92.4Very high4 Ų429.6 Ų29.63%0.02516%0.162CC..EExtended strand (participates in β ladder)trans-133134.9-178.9-42.70000111.4S157 I158 K159 F160 G180 D181S157-T224 WeakPolarHBondContact OG-CG2 3.28Å; I158-T224 CarbonylContact O-C 3.55Å; I158-T224 WeakPolarHBondContact O-CA 3.44Å; K159-T224 HydrophobicContact CD-CG2 4.16Å; K159-T224 PolarHBondContact NZ-OG1 2.98Å; F160-T224 VanDerWaalsContact CE1-C 3.5Å; G180-T224 WeakPolarHBondContact CA-O 3.47Å; G180-T224 PolarHBondContact N-O 2.87Å; D181-T224 PolarHBondContact N-O 3.5Å; D181-T224 PolarHBondContact O-N 3.38Å; D181-T224 WeakPolarHBondContact OD2-CB 3.37Å; D181-T224 PolarHBondContact OD2-N 2.85Å; D181-T224 PolarHBondContact OD2-OG1 3.24Å
225L97.3Very high92.5Very high2 Ų227.5 Ų27.51%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-107148.2164.8-62.7169.5000109.7S157 I158 F160 I166 Y177 V178 L179 L184 L202S157-L225 CarbonylContact C-O 3.55Å; S157-L225 WeakPolarHBondContact CA-O 3.49Å; I158-L225 HydrophobicContact CB-CB 4.4Å; I158-L225 PolarHBondContact N-O 3.03Å; I158-L225 PolarHBondContact O-N 3.25Å; F160-L225 HydrophobicContact CD1-CD1 4.14Å; F160-L225 HydrophobicContact CD1-CD2 4.5Å; F160-L225 HydrophobicContact CD1-CG 3.72Å; F160-L225 HydrophobicContact CE1-CD1 4.48Å; F160-L225 HydrophobicContact CE1-CD2 4.03Å; F160-L225 HydrophobicContact CE1-CG 3.71Å; I166-L225 HydrophobicContact CB-CD1 4.48Å; I166-L225 HydrophobicContact CD1-CD1 4.08Å; I166-L225 HydrophobicContact CG1-CD1 4.26Å; I166-L225 HydrophobicContact CG2-CD1 3.39Å; Y177-L225 HydrophobicContact CD1-CB 4.03Å; Y177-L225 HydrophobicContact CD1-CD1 3.73Å; Y177-L225 HydrophobicContact CD1-CG 4.39Å; Y177-L225 HydrophobicContact CE1-CD1 4.16Å; Y177-L225 HydrophobicContact CG-CD1 4.18Å; V178-L225 CarbonylContact O-C 3.5Å; V178-L225 WeakPolarHBondContact O-CA 3.39Å; L179-L225 HydrophobicContact CB-CD2 4.48Å; L179-L225 HydrophobicContact CD1-CD2 4.17Å; L184-L225 HydrophobicContact CD1-CD2 4.12Å; L202-L225 HydrophobicContact CD1-CD2 4.23Å
226W97.4Very high92.4Very high30 Ų3026.7 Ų26.711%0.11414%0.142CC..EExtended strand (participates in β ladder)trans-102.3122.6163.8-65.396.2000107.7K122 V126 I130 M155 Y156 Y177 V178K122-W226 HydrophobicContact CD-CE3 3.97Å; K122-W226 HydrophobicContact CD-CH2 4.19Å; K122-W226 HydrophobicContact CD-CZ3 3.68Å; K122-W226 VanDerWaalsContact CE-CZ3 3.46Å; K122-W226 HydrophobicContact CG-CE3 4.46Å; K122-W226 HydrophobicContact CG-CH2 3.9Å; K122-W226 HydrophobicContact CG-CZ3 3.67Å; V126-W226 HydrophobicContact CB-CZ2 4.23Å; V126-W226 HydrophobicContact CG1-CD2 4.19Å; V126-W226 VanDerWaalsContact CG1-CE2 3.44Å; V126-W226 HydrophobicContact CG1-CH2 3.66Å; V126-W226 HydrophobicContact CG1-CZ2 3.17Å; V126-W226 HydrophobicContact CG1-CZ3 4.34Å; V126-W226 HydrophobicContact CG2-CZ2 4.01Å; I130-W226 HydrophobicContact CD1-CB 3.96Å; I130-W226 HydrophobicContact CD1-CD2 3.64Å; I130-W226 HydrophobicContact CD1-CE3 4.06Å; I130-W226 HydrophobicContact CD1-CG 3.55Å; I130-W226 HydrophobicContact CG1-CB 4.24Å; I130-W226 HydrophobicContact CG1-CD2 4.41Å; I130-W226 HydrophobicContact CG1-CG 3.89Å; M155-W226 HydrophobicContact CB-CB 4.18Å; M155-W226 HydrophobicContact CE-CB 4.08Å; M155-W226 WeakPolarHBondContact CE-O 3.33Å; M155-W226 HydrophobicContact SD-CB 3.94Å; Y156-W226 CarbonylContact O-C 3.51Å; Y156-W226 WeakPolarHBondContact O-CA 3.43Å; Y177-W226 CarbonylContact C-O 3.56Å; Y177-W226 WeakPolarHBondContact CA-O 3.19Å; V178-W226 HydrophobicContact CB-CB 4.27Å; V178-W226 PolarHBondContact N-O 3.48Å; V178-W226 PolarHBondContact O-N 3.4Å
227A96.2Very high91.7Very high0 Ų026.8 Ų26.80%014%0.141CC..EExtended strand (participates in β ladder)trans-119.1145.8-172.500000112M155 Y156 I158 L175 V176 Y177M155-A227 CarbonylContact C-O 3.52Å; M155-A227 WeakPolarHBondContact CA-O 3.47Å; Y156-A227 WeakPolarHBondContact CD1-O 3.5Å; Y156-A227 HydrophobicContact CE1-CB 4.23Å; Y156-A227 WeakPolarHBondContact CE1-O 3.29Å; Y156-A227 HydrophobicContact CE2-CB 4.12Å; Y156-A227 PolarHBondContact N-O 3.35Å; Y156-A227 PolarHBondContact O-N 3.12Å; I158-A227 HydrophobicContact CD1-CB 3.42Å; I158-A227 VanDerWaalsContact CD1-CB 3.42Å; I158-A227 HydrophobicContact CG1-CB 4.04Å; L175-A227 HydrophobicContact CD2-CB 4.46Å; V176-A227 CarbonylContact O-C 2.8Å; V176-A227 VanDerWaalsContact O-CA 3.26Å; V176-A227 WeakPolarHBondContact O-CA 3.34Å; Y177-A227 HydrophobicContact CD1-CB 3.71Å; Y177-A227 HydrophobicContact CE1-CB 3.89Å
228I94.2Very high90.9Very high2 Ų226.5 Ų26.51%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-134.7139168.5-175.1172.9000109.3L151 C154 M155 L175 V176 F233 I236L151-I228 HydrophobicContact CD2-CD1 3.65Å; C154-I228 HydrophobicContact CB-CD1 3.84Å; C154-I228 HydrophobicContact CB-CG1 4.4Å; M155-I228 HydrophobicContact CE-CG2 4.17Å; M155-I228 HydrophobicContact CG-CB 4.01Å; M155-I228 HydrophobicContact CG-CG2 4.27Å; L175-I228 WeakPolarHBondContact CA-O 3.45Å; V176-I228 HydrophobicContact CB-CG2 3.82Å; V176-I228 HydrophobicContact CG2-CG2 4.41Å; V176-I228 PolarHBondContact N-O 3.49Å; V176-I228 PolarHBondContact O-N 3.35Å; I228-F233 HydrophobicContact CD1-CB 4.14Å; I228-F233 HydrophobicContact CD1-CD2 4.38Å; I228-F233 HydrophobicContact CG1-CB 4.29Å; I228-F233 HydrophobicContact CG2-CB 4.43Å; I228-F233 HydrophobicContact CG2-CD2 3.95Å; I228-I236 HydrophobicContact CD1-CD1 3.93Å
229D90.1Very high90.3Very high47 Ų4725.1 Ų25.125%0.25113%0.132SC..EExtended strand (participates in β ladder)trans-77.3151.9177.173.391.3000112.2S174 L175 T231 S232 F233S174-D229 CarbonylContact O-C 3.57Å; S174-D229 WeakPolarHBondContact O-CA 3.45Å; L175-D229 HydrophobicContact CD2-CB 4.07Å; D229-T231 PolarHBondContact O-N 3.17Å; D229-T231 WeakPolarHBondContact OD1-CA 3.45Å; D229-T231 WeakPolarHBondContact OD1-CB 3.34Å; D229-T231 PolarHBondContact OD1-N 2.96Å; D229-T231 PolarHBondContact OD1-OG1 3.3Å; D229-S232 VanDerWaalsContact CG-OG 3.32Å; D229-S232 PolarHBondContact O-N 3.44Å; D229-S232 PolarHBondContact OD1-N 3.01Å; D229-S232 PolarHBondContact OD1-OG 3.35Å; D229-S232 WeakPolarHBondContact OD2-CB 3.4Å; D229-S232 PolarHBondContact OD2-OG 3.21Å; D229-F233 VanDerWaalsContact O-CB 3.26Å; D229-F233 WeakPolarHBondContact O-CB 3.22Å; D229-F233 PolarHBondContact O-N 3.22Å
230R83.6Confident89.3Confident37 Ų3726.4 Ų26.414%0.1414%0.139CC..Hα-helixtrans-48.9-44.3-180172.4-174.5-62.7-159.1-5.3112.5G173 S174 A206 V207 N210 F233 Q234G173-R230 PolarHBondContact O-NH2 3.06Å; S174-R230 PolarHBondContact O-N 3.05Å; A206-R230 PolarHBondContact O-NH2 3.24Å; V207-R230 HydrophobicContact CG1-CB 3.82Å; V207-R230 HydrophobicContact CG1-CG 3.97Å; V207-R230 HydrophobicContact CG2-CB 4.31Å; N210-R230 PolarHBondContact OD1-NH1 2.98Å; N210-R230 PolarHBondContact OD1-NH2 2.82Å; R230-F233 PolarHBondContact O-N 3.47Å; R230-Q234 HydrophobicContact CG-CG 4.44Å; R230-Q234 WeakPolarHBondContact O-CB 3.46Å; R230-Q234 WeakPolarHBondContact O-CG 3.35Å; R230-Q234 PolarHBondContact O-N 3.4Å
231T82.4Confident88.3Confident65 Ų6525.5 Ų25.540%0.39913%0.133SC..Hα-helixtrans-73-41.9-171.672.50000111.1K115 D229 F233 T235K115-T231 PolarHBondContact NZ-OG1 3.29Å; D229-T231 PolarHBondContact O-N 3.17Å; D229-T231 WeakPolarHBondContact OD1-CA 3.45Å; D229-T231 WeakPolarHBondContact OD1-CB 3.34Å; D229-T231 PolarHBondContact OD1-N 2.96Å; D229-T231 PolarHBondContact OD1-OG1 3.3Å; T231-F233 VanDerWaalsContact C-N 3.35Å; T231-T235 VanDerWaalsContact O-CB 3.3Å; T231-T235 WeakPolarHBondContact O-CB 3.41Å; T231-T235 PolarHBondContact O-N 3.46Å; T231-T235 PolarHBondContact O-OG1 3.16Å
232S88.7Confident87.6Confident15 Ų1523.5 Ų23.511%0.10512%0.12CC..Hα-helixtrans-64.5-41.5172.3-60.40000111.3D229 T235 I236D229-S232 VanDerWaalsContact CG-OG 3.32Å; D229-S232 PolarHBondContact O-N 3.44Å; D229-S232 PolarHBondContact OD1-N 3.01Å; D229-S232 PolarHBondContact OD1-OG 3.35Å; D229-S232 WeakPolarHBondContact OD2-CB 3.4Å; D229-S232 PolarHBondContact OD2-OG 3.21Å; S232-T235 PolarHBondContact O-N 3.04Å; S232-I236 WeakPolarHBondContact O-CG1 3.27Å; S232-I236 PolarHBondContact O-N 2.84Å
233F87Confident86.9Confident1 Ų123.8 Ų23.80%0.00412%0.118CC..Hα-helixtrans-59.6-53.7178.1-175.7-95.1000112.2M140 L151 V176 V207 L208 I228 D229 R230 T231 T235 I236 L237M140-F233 HydrophobicContact CE-CE2 3.46Å; M140-F233 VanDerWaalsContact CE-CE2 3.46Å; M140-F233 HydrophobicContact CE-CZ 3.76Å; M140-F233 HydrophobicContact SD-CE2 4.35Å; M140-F233 HydrophobicContact SD-CZ 4.26Å; L151-F233 HydrophobicContact CD1-CE2 4.17Å; L151-F233 HydrophobicContact CD2-CD2 3.37Å; L151-F233 HydrophobicContact CD2-CE2 3.68Å; L151-F233 HydrophobicContact CD2-CG 4.31Å; V176-F233 HydrophobicContact CG2-CD2 4.25Å; V176-F233 HydrophobicContact CG2-CE2 4.5Å; V176-F233 HydrophobicContact CG2-CG 4.35Å; V207-F233 HydrophobicContact CG1-CB 4.3Å; V207-F233 HydrophobicContact CG1-CD1 3.76Å; V207-F233 HydrophobicContact CG1-CE1 4.43Å; V207-F233 HydrophobicContact CG1-CG 4.17Å; L208-F233 HydrophobicContact CD2-CE1 3.52Å; L208-F233 HydrophobicContact CD2-CZ 4.07Å; L208-F233 HydrophobicContact CG-CE1 3.91Å; L208-F233 HydrophobicContact CG-CZ 4.38Å; I228-F233 HydrophobicContact CD1-CB 4.14Å; I228-F233 HydrophobicContact CD1-CD2 4.38Å; I228-F233 HydrophobicContact CG1-CB 4.29Å; I228-F233 HydrophobicContact CG2-CB 4.43Å; I228-F233 HydrophobicContact CG2-CD2 3.95Å; D229-F233 VanDerWaalsContact O-CB 3.26Å; D229-F233 WeakPolarHBondContact O-CB 3.22Å; D229-F233 PolarHBondContact O-N 3.22Å; R230-F233 PolarHBondContact O-N 3.47Å; T231-F233 VanDerWaalsContact C-N 3.35Å; F233-T235 VanDerWaalsContact C-N 3.34Å; F233-T235 PolarHBondContact O-N 3.36Å; F233-I236 PolarHBondContact O-N 3.31Å; F233-L237 HydrophobicContact CD1-CD1 4Å; F233-L237 HydrophobicContact CE1-CD1 3.4Å; F233-L237 VanDerWaalsContact CE1-CD1 3.4Å; F233-L237 HydrophobicContact CE1-CG 4.23Å; F233-L237 HydrophobicContact CZ-CD1 3.86Å; F233-L237 HydrophobicContact CZ-CG 4.45Å; F233-L237 PolarHBondContact O-N 3.16Å; F233-L237 VanDerWaalsContact O-N 3.16Å
234Q80.3Confident86.2Confident24 Ų2427.3 Ų27.311%0.11213%0.132CC..Hα-helixtrans-61.4-42.1177.2-72.8173.9-29.900111.8R230 I236 L237 M238R230-Q234 HydrophobicContact CG-CG 4.44Å; R230-Q234 WeakPolarHBondContact O-CB 3.46Å; R230-Q234 WeakPolarHBondContact O-CG 3.35Å; R230-Q234 PolarHBondContact O-N 3.4Å; Q234-I236 VanDerWaalsContact C-N 3.3Å; Q234-I236 PolarHBondContact O-N 2.8Å; Q234-L237 PolarHBondContact O-N 2.67Å; Q234-M238 VanDerWaalsContact O-CG 3.26Å; Q234-M238 WeakPolarHBondContact O-CG 3.27Å; Q234-M238 PolarHBondContact O-N 3.22Å
235T85.6Confident85.7Confident5 Ų528.1 Ų28.13%0.03114%0.135CC..Hα-helixtrans-56.6-44.5176.9-59.90000111.4I112 K115 L117 T231 S232 F233 M238 R239I112-T235 HydrophobicContact CG2-CG2 4.25Å; K115-T235 HydrophobicContact CB-CG2 4.28Å; K115-T235 HydrophobicContact CD-CG2 4.27Å; K115-T235 WeakPolarHBondContact CD-OG1 3.46Å; L117-T235 HydrophobicContact CD2-CG2 4.15Å; L117-T235 HydrophobicContact CG-CG2 4.47Å; T231-T235 VanDerWaalsContact O-CB 3.3Å; T231-T235 WeakPolarHBondContact O-CB 3.41Å; T231-T235 PolarHBondContact O-N 3.46Å; T231-T235 PolarHBondContact O-OG1 3.16Å; S232-T235 PolarHBondContact O-N 3.04Å; F233-T235 VanDerWaalsContact C-N 3.34Å; F233-T235 PolarHBondContact O-N 3.36Å; T235-M238 PolarHBondContact O-N 3.1Å; T235-R239 WeakPolarHBondContact O-CB 3.29Å; T235-R239 PolarHBondContact O-N 3.16Å
236I86.8Confident85.2Confident0 Ų031.1 Ų31.10%015%0.151CC..Hα-helixtrans-65.9-42.7179.3-69.5162.5000111.7L117 Q147 Q150 L151 C154 I228 S232 F233 Q234 M238L117-I236 HydrophobicContact CD1-CD1 4.09Å; L117-I236 HydrophobicContact CD1-CG1 3.44Å; L117-I236 VanDerWaalsContact CD1-CG1 3.44Å; L117-I236 HydrophobicContact CD2-CG1 4.3Å; Q147-I236 HydrophobicContact CB-CG2 4.1Å; Q147-I236 WeakPolarHBondContact O-CG2 3.36Å; Q150-I236 HydrophobicContact CB-CD1 4.2Å; Q150-I236 HydrophobicContact CB-CG1 4.18Å; Q150-I236 HydrophobicContact CB-CG2 3.85Å; L151-I236 HydrophobicContact CD2-CB 4.23Å; L151-I236 HydrophobicContact CD2-CD1 3.89Å; L151-I236 HydrophobicContact CD2-CG2 4.16Å; L151-I236 HydrophobicContact CG-CB 4.49Å; L151-I236 HydrophobicContact CG-CD1 4.34Å; L151-I236 HydrophobicContact CG-CG2 3.88Å; C154-I236 HydrophobicContact CB-CD1 4.04Å; I228-I236 HydrophobicContact CD1-CD1 3.93Å; S232-I236 WeakPolarHBondContact O-CG1 3.27Å; S232-I236 PolarHBondContact O-N 2.84Å; F233-I236 PolarHBondContact O-N 3.31Å; Q234-I236 VanDerWaalsContact C-N 3.3Å; Q234-I236 PolarHBondContact O-N 2.8Å; I236-M238 VanDerWaalsContact C-N 3.28Å; I236-M238 PolarHBondContact O-N 3Å
237L80.1Confident84.9Confident19 Ų1934 Ų3410%0.09917%0.169CC..Hα-helixtrans-62.5-37.8178.4-66.7-176.4000112I143 Q147 L208 F233 Q234I143-L237 HydrophobicContact CD1-CD2 3.85Å; I143-L237 HydrophobicContact CG1-CD2 3.91Å; I143-L237 HydrophobicContact CG2-CD2 4.32Å; Q147-L237 PolarHBondContact NE2-O 2.92Å; L208-L237 HydrophobicContact CD2-CD1 4.14Å; F233-L237 HydrophobicContact CD1-CD1 4Å; F233-L237 HydrophobicContact CE1-CD1 3.4Å; F233-L237 VanDerWaalsContact CE1-CD1 3.4Å; F233-L237 HydrophobicContact CE1-CG 4.23Å; F233-L237 HydrophobicContact CZ-CD1 3.86Å; F233-L237 HydrophobicContact CZ-CG 4.45Å; F233-L237 PolarHBondContact O-N 3.16Å; F233-L237 VanDerWaalsContact O-N 3.16Å; Q234-L237 PolarHBondContact O-N 2.67Å
238M79.2Confident84.7Confident1 Ų135.3 Ų35.31%0.00517%0.174CC..Hα-helixtrans-85.6-37.4-175.6-63.9173.971.500113.6Q107 I112 Q234 T235 I236 D240 H241 L242 W561Q107-M238 PolarHBondContact OE1-SD 2.78Å; I112-M238 HydrophobicContact CD1-CE 3.23Å; I112-M238 HydrophobicContact CD1-SD 3.62Å; I112-M238 HydrophobicContact CG1-SD 4.49Å; I112-M238 HydrophobicContact CG2-CB 4.14Å; Q234-M238 VanDerWaalsContact O-CG 3.26Å; Q234-M238 WeakPolarHBondContact O-CG 3.27Å; Q234-M238 PolarHBondContact O-N 3.22Å; T235-M238 PolarHBondContact O-N 3.1Å; I236-M238 VanDerWaalsContact C-N 3.28Å; I236-M238 PolarHBondContact O-N 3Å; M238-D240 PolarHBondContact O-N 2.86Å; M238-H241 PolarHBondContact O-N 2.74Å; M238-H241 VanDerWaalsContact O-N 3.16Å; M238-L242 HydrophobicContact CB-CD1 4.49Å; M238-L242 WeakPolarHBondContact O-CG 3.4Å; M238-L242 PolarHBondContact O-N 3.11Å; M238-W561 HydrophobicContact CE-CB 3.25Å; M238-W561 HydrophobicContact CE-CD2 3.68Å; M238-W561 HydrophobicContact CE-CE3 4.06Å; M238-W561 HydrophobicContact CE-CG 3.28Å; M238-W561 HydrophobicContact CG-CD2 4.41Å; M238-W561 HydrophobicContact CG-CE3 3.9Å; M238-W561 HydrophobicContact CG-CZ3 4.31Å; M238-W561 HydrophobicContact SD-CB 4.31Å
239R83.2Confident84.5Confident41 Ų4136.6 Ų36.616%0.15518%0.181CC..Hα-helixtrans-60.9-42.4-172.6-179.5177.3-72.8169.8-6.5112.7I112 Q113 K115 L117 T235 H241 L242 Q243I112-R239 PolarHBondContact O-NE 3.45Å; I112-R239 PolarHBondContact O-NH2 3.4Å; Q113-R239 PolarHBondContact O-NH2 3.42Å; K115-R239 PolarHBondContact O-NH1 3.04Å; K115-R239 PolarHBondContact O-NH2 2.99Å; L117-R239 VanDerWaalsContact CD1-NH1 3.33Å; T235-R239 WeakPolarHBondContact O-CB 3.29Å; T235-R239 PolarHBondContact O-N 3.16Å; R239-H241 VanDerWaalsContact C-N 3.31Å; R239-H241 PolarHBondContact O-N 2.61Å; R239-L242 PolarHBondContact O-N 3.02Å; R239-Q243 WeakPolarHBondContact O-CB 3.39Å; R239-Q243 PolarHBondContact O-N 3.13Å
240D77.1Confident84.7Confident28 Ų2839 Ų3915%0.1520%0.197CC..Hα-helixtrans-61.8-40.5178.2-170.689.1000111.3S146 Q147 M238 K244S146-D240 PolarHBondContact OG-OD1 3.38Å; Q147-D240 HydrophobicContact CG-CB 3.54Å; M238-D240 PolarHBondContact O-N 2.86Å; D240-K244 WeakPolarHBondContact O-CB 3.33Å; D240-K244 WeakPolarHBondContact O-CG 3.46Å; D240-K244 PolarHBondContact O-N 3.05Å; D240-K244 IonicContact OD1-NZ 2.61Å; D240-K244 WeakPolarHBondContact OD2-CE 3.28Å; D240-K244 IonicContact OD2-NZ 2.74Å; D240-K244 PolarHBondContact OD2-NZ 3.38Å
241H77.1Confident85.2Confident51 Ų5138.1 Ų38.124%0.23619%0.194CC..Hα-helixtrans-69.1-48.4177.7-166.996.9000111.6M238 R239 Q243 K244 H245 D271 W561M238-H241 PolarHBondContact O-N 2.74Å; M238-H241 VanDerWaalsContact O-N 3.16Å; R239-H241 VanDerWaalsContact C-N 3.31Å; R239-H241 PolarHBondContact O-N 2.61Å; H241-Q243 VanDerWaalsContact C-N 3.29Å; H241-Q243 PolarHBondContact O-N 3.34Å; H241-K244 PolarHBondContact O-N 2.99Å; H241-H245 WeakPolarHBondContact O-CB 3.36Å; H241-H245 PolarHBondContact O-N 3.16Å; H241-D271 IonicContact NE2-OD1 2.75Å; H241-W561 HydrophobicContact CB-CH2 3.69Å; H241-W561 HydrophobicContact CB-CZ2 4.33Å; H241-W561 AromaticContact CD2-CH2 3.29Å; H241-W561 WeakPolarHBondContact CD2-CH2 3.34Å; H241-W561 AromaticContact CD2-CZ2 3.35Å; H241-W561 WeakPolarHBondContact CD2-CZ2 3.39Å; H241-W561 AromaticContact CG-CH2 3.45Å; H241-W561 VanDerWaalsContact CG-CH2 3.45Å; H241-W561 AromaticContact CG-CZ2 3.98Å; H241-W561 AromaticContact NE2-CH2 3.88Å; H241-W561 AromaticContact NE2-CZ2 3.96Å
242L81.3Confident85.6Confident10 Ų1035.1 Ų35.15%0.05218%0.175CC..Hα-helixtrans-60.2-40.1177.9-70.2172.9000111.8E109 I112 M238 R239 N246 W561E109-L242 HydrophobicContact CG-CD1 4.44Å; E109-L242 HydrophobicContact CG-CD2 4.36Å; I112-L242 HydrophobicContact CG2-CD1 4Å; M238-L242 HydrophobicContact CB-CD1 4.49Å; M238-L242 WeakPolarHBondContact O-CG 3.4Å; M238-L242 PolarHBondContact O-N 3.11Å; R239-L242 PolarHBondContact O-N 3.02Å; L242-N246 WeakPolarHBondContact O-CB 3.42Å; L242-N246 VanDerWaalsContact O-CG 3.26Å; L242-N246 PolarHBondContact O-N 2.67Å; L242-N246 PolarHBondContact O-ND2 3.49Å; L242-W561 HydrophobicContact CD2-CZ2 4.48Å
243Q83.4Confident85.7Confident111 Ų11138.6 Ų38.652%0.51919%0.189SC..Hα-helixtrans-67.8-51.2178.7-173.3168.6-0.800111.4R239 H241 H245 N246 D247R239-Q243 WeakPolarHBondContact O-CB 3.39Å; R239-Q243 PolarHBondContact O-N 3.13Å; H241-Q243 VanDerWaalsContact C-N 3.29Å; H241-Q243 PolarHBondContact O-N 3.34Å; Q243-H245 VanDerWaalsContact C-N 3.27Å; Q243-H245 PolarHBondContact O-N 2.82Å; Q243-N246 PolarHBondContact O-N 3.22Å; Q243-N246 VanDerWaalsContact O-N 3.15Å; Q243-D247 VanDerWaalsContact O-CG 3.25Å; Q243-D247 PolarHBondContact O-N 2.78Å
244K83Confident85.9Confident81 Ų8142 Ų4235%0.35221%0.213SC..Hα-helixtrans-57.1-42.1175.2-80.5175.9176.8154.70112.2D240 H241 N246 D247 Y248D240-K244 WeakPolarHBondContact O-CB 3.33Å; D240-K244 WeakPolarHBondContact O-CG 3.46Å; D240-K244 PolarHBondContact O-N 3.05Å; D240-K244 IonicContact OD1-NZ 2.61Å; D240-K244 WeakPolarHBondContact OD2-CE 3.28Å; D240-K244 IonicContact OD2-NZ 2.74Å; D240-K244 PolarHBondContact OD2-NZ 3.38Å; H241-K244 PolarHBondContact O-N 2.99Å; K244-N246 PolarHBondContact O-N 2.85Å; K244-D247 PolarHBondContact O-N 2.89Å; K244-Y248 WeakPolarHBondContact O-CB 3.3Å; K244-Y248 VanDerWaalsContact O-CG 3.24Å; K244-Y248 PolarHBondContact O-N 3.33Å
245H85.2Confident86.3Confident21 Ų2141 Ų4110%0.09721%0.208CC..Hα-helixtrans-59.5-46.8177.1-168.868.7000111.7H241 Q243 Y248 I249 S267 A270 D271H241-H245 WeakPolarHBondContact O-CB 3.36Å; H241-H245 PolarHBondContact O-N 3.16Å; Q243-H245 VanDerWaalsContact C-N 3.27Å; Q243-H245 PolarHBondContact O-N 2.82Å; H245-Y248 PolarHBondContact O-N 3.05Å; H245-I249 WeakPolarHBondContact O-CG1 3.46Å; H245-I249 PolarHBondContact O-N 3.16Å; H245-S267 PolarHBondContact CE1-O 3.27Å; H245-S267 PolarHBondContact NE2-OG 3.5Å; H245-A270 WeakPolarHBondContact ND1-CB 3.47Å; H245-D271 IonicContact CE1-OD1 3.54Å; H245-D271 PolarHBondContact CE1-OD1 3.07Å; H245-D271 IonicContact CE1-OD2 3.15Å; H245-D271 IonicContact ND1-OD1 2.7Å; H245-D271 PolarHBondContact ND1-OD1 3.45Å; H245-D271 IonicContact NE2-OD1 3.58Å
246N88.3Confident86.1Confident65 Ų6545.8 Ų45.835%0.34824%0.239SC..Hα-helixtrans-65.5-37.7176.3-74.6-28000112.8Q113 L242 Q243 K244 Y248 I249 T250Q113-N246 PolarHBondContact NE2-ND2 3.12Å; L242-N246 WeakPolarHBondContact O-CB 3.42Å; L242-N246 VanDerWaalsContact O-CG 3.26Å; L242-N246 PolarHBondContact O-N 2.67Å; L242-N246 PolarHBondContact O-ND2 3.49Å; Q243-N246 PolarHBondContact O-N 3.22Å; Q243-N246 VanDerWaalsContact O-N 3.15Å; K244-N246 PolarHBondContact O-N 2.85Å; N246-Y248 VanDerWaalsContact C-N 3.35Å; N246-I249 PolarHBondContact O-N 3.01Å; N246-T250 WeakPolarHBondContact O-CB 3.32Å; N246-T250 PolarHBondContact O-N 3.13Å; N246-T250 PolarHBondContact O-OG1 3.16Å
247D90.3Very high85.7Confident89 Ų8948.9 Ų48.948%0.47626%0.258SS..Hα-helixtrans-62.7-43.9174.8-68.2-23.4000110.4Q243 K244 T250 F251Q243-D247 VanDerWaalsContact O-CG 3.25Å; Q243-D247 PolarHBondContact O-N 2.78Å; K244-D247 PolarHBondContact O-N 2.89Å; D247-T250 PolarHBondContact O-N 2.94Å; D247-F251 VanDerWaalsContact O-CB 3.3Å; D247-F251 WeakPolarHBondContact O-CB 3.42Å; D247-F251 PolarHBondContact O-N 3.36Å
248Y91.8Very high86Confident29 Ų2948.1 Ų48.111%0.11425%0.254CS..Hα-helixtrans-66.5-42.6175.3-65.9-16.1000112.5K244 H245 N246 T250 F251 L252 L273 E275 L359K244-Y248 WeakPolarHBondContact O-CB 3.3Å; K244-Y248 VanDerWaalsContact O-CG 3.24Å; K244-Y248 PolarHBondContact O-N 3.33Å; H245-Y248 PolarHBondContact O-N 3.05Å; N246-Y248 VanDerWaalsContact C-N 3.35Å; Y248-T250 VanDerWaalsContact C-N 3.32Å; Y248-T250 PolarHBondContact O-N 3.29Å; Y248-F251 PolarHBondContact O-N 3.1Å; Y248-L252 VanDerWaalsContact O-CB 3.3Å; Y248-L252 WeakPolarHBondContact O-CB 3.23Å; Y248-L252 WeakPolarHBondContact O-CG 3.29Å; Y248-L252 PolarHBondContact O-N 3.12Å; Y248-L273 HydrophobicContact CD2-CB 4.18Å; Y248-L273 HydrophobicContact CE2-CB 4.3Å; Y248-E275 PolarHBondContact OH-OE2 3.47Å; Y248-L359 HydrophobicContact CD1-CD1 3.95Å; Y248-L359 HydrophobicContact CD1-CD2 4.17Å; Y248-L359 HydrophobicContact CE1-CD1 4.2Å; Y248-L359 HydrophobicContact CE1-CD2 3.57Å
249I90.6Very high86.2Confident29 Ų2950.3 Ų50.315%0.14927%0.27CS..Hα-helixtrans-58.3-47.4173.7-72.1172.5000110.2H245 N246 F251 L252 K253 I266 A270H245-I249 WeakPolarHBondContact O-CG1 3.46Å; H245-I249 PolarHBondContact O-N 3.16Å; N246-I249 PolarHBondContact O-N 3.01Å; I249-F251 PolarHBondContact O-N 3.33Å; I249-L252 PolarHBondContact O-N 3.5Å; I249-K253 HydrophobicContact CG2-CD 4.07Å; I249-K253 WeakPolarHBondContact O-CB 3.28Å; I249-K253 WeakPolarHBondContact O-CG 3.45Å; I249-K253 PolarHBondContact O-N 2.79Å; I249-I266 HydrophobicContact CB-CG2 4.25Å; I249-I266 HydrophobicContact CG1-CG2 4.18Å; I249-I266 HydrophobicContact CG2-CG2 4.02Å; I249-A270 HydrophobicContact CG1-CB 3.84Å
250T93.1Very high86.1Confident96 Ų9654 Ų5459%0.58929%0.293SS*.Hα-helixtrans-62.6-44.5-179.8-58.60000110.9N246 D247 Y248 K253 S254N246-T250 WeakPolarHBondContact O-CB 3.32Å; N246-T250 PolarHBondContact O-N 3.13Å; N246-T250 PolarHBondContact O-OG1 3.16Å; D247-T250 PolarHBondContact O-N 2.94Å; Y248-T250 VanDerWaalsContact C-N 3.32Å; Y248-T250 PolarHBondContact O-N 3.29Å; T250-K253 PolarHBondContact O-N 3.39Å; T250-S254 PolarHBondContact O-N 2.83Å; T250-S254 VanDerWaalsContact O-N 3.1Å
251F93.8Very high86.3Confident20 Ų2053.5 Ų53.59%0.08829%0.29CS..Hα-helixtrans-62.4-50175.8175.2-111.8000112D247 Y248 I249 K253 S254 V255 I296 I297 A298 R329 L359D247-F251 VanDerWaalsContact O-CB 3.3Å; D247-F251 WeakPolarHBondContact O-CB 3.42Å; D247-F251 PolarHBondContact O-N 3.36Å; Y248-F251 PolarHBondContact O-N 3.1Å; I249-F251 PolarHBondContact O-N 3.33Å; F251-K253 VanDerWaalsContact C-N 3.31Å; F251-K253 PolarHBondContact O-N 2.83Å; F251-S254 WeakPolarHBondContact O-CA 3.45Å; F251-S254 WeakPolarHBondContact O-CB 3.29Å; F251-S254 PolarHBondContact O-N 3.36Å; F251-S254 PolarHBondContact O-OG 3.12Å; F251-V255 HydrophobicContact CE1-CG2 4.34Å; F251-V255 HydrophobicContact CE2-CG2 4.24Å; F251-V255 HydrophobicContact CZ-CG2 4.04Å; F251-V255 PolarHBondContact O-N 2.83Å; F251-I296 HydrophobicContact CE1-CG2 3.72Å; F251-I296 HydrophobicContact CZ-CG2 4.02Å; F251-I297 WeakPolarHBondContact CZ-O 3.2Å; F251-A298 HydrophobicContact CE1-CB 4.48Å; F251-A298 HydrophobicContact CZ-CB 4.4Å; F251-R329 HydrophobicContact CE2-CG 4.12Å; F251-L359 HydrophobicContact CD1-CD1 3.54Å; F251-L359 HydrophobicContact CE1-CD1 3.68Å
252L91.3Very high86.5Confident1 Ų152.5 Ų52.51%0.00529%0.288CS..Hα-helixtrans-59.1-41178.1-73.2172.4000111.7Y248 I249 S254 V255 F258 I266 L269 A270 L273 I296Y248-L252 VanDerWaalsContact O-CB 3.3Å; Y248-L252 WeakPolarHBondContact O-CB 3.23Å; Y248-L252 WeakPolarHBondContact O-CG 3.29Å; Y248-L252 PolarHBondContact O-N 3.12Å; I249-L252 PolarHBondContact O-N 3.5Å; L252-S254 PolarHBondContact O-N 3.34Å; L252-V255 PolarHBondContact O-N 2.9Å; L252-V255 VanDerWaalsContact O-N 3.15Å; L252-F258 HydrophobicContact CD2-CD2 3.87Å; L252-F258 HydrophobicContact CD2-CE2 4.39Å; L252-F258 HydrophobicContact CD2-CG 4.32Å; L252-I266 HydrophobicContact CB-CG2 3.79Å; L252-I266 HydrophobicContact CD1-CG2 3.93Å; L252-L269 HydrophobicContact CD1-CB 3.86Å; L252-A270 HydrophobicContact CD1-CB 4.28Å; L252-L273 HydrophobicContact CD1-CD1 3.97Å; L252-L273 HydrophobicContact CD2-CD1 4.19Å; L252-L273 HydrophobicContact CG-CD1 4.26Å; L252-I296 HydrophobicContact CD2-CD1 3.67Å
253K91.4Very high86.6Confident89 Ų8957 Ų5739%0.38731%0.312SS..Hα-helixtrans-64.3-27.3174.4-76.7-178.5174.5-173.40113.2I249 T250 F251 V255 S259 D263 I266I249-K253 HydrophobicContact CG2-CD 4.07Å; I249-K253 WeakPolarHBondContact O-CB 3.28Å; I249-K253 WeakPolarHBondContact O-CG 3.45Å; I249-K253 PolarHBondContact O-N 2.79Å; T250-K253 PolarHBondContact O-N 3.39Å; F251-K253 VanDerWaalsContact C-N 3.31Å; F251-K253 PolarHBondContact O-N 2.83Å; K253-V255 VanDerWaalsContact C-N 3.35Å; K253-S259 WeakPolarHBondContact O-CB 3.38Å; K253-D263 WeakPolarHBondContact CE-OD1 3.42Å; K253-D263 IonicContact NZ-OD1 2.68Å; K253-D263 PolarHBondContact NZ-OD1 2.83Å; K253-I266 HydrophobicContact CG-CD1 3.64Å; K253-I266 HydrophobicContact CG-CG2 4.38Å
254S91.6Very high86.1Confident72 Ų7252.2 Ų52.250%0.50329%0.291SS..Hα-helixtrans-76.2-21.5175.581.20000113.4T250 F251 L252 P256T250-S254 PolarHBondContact O-N 2.83Å; T250-S254 VanDerWaalsContact O-N 3.1Å; F251-S254 WeakPolarHBondContact O-CA 3.45Å; F251-S254 WeakPolarHBondContact O-CB 3.29Å; F251-S254 PolarHBondContact O-N 3.36Å; F251-S254 PolarHBondContact O-OG 3.12Å; L252-S254 PolarHBondContact O-N 3.34Å; S254-P256 WeakPolarHBondContact O-CD 3.15Å
255V87Confident86Confident3 Ų348.4 Ų48.42%0.01827%0.274CS..SBendtrans-82.6119.5179.71770000109.9F251 L252 K253 T257 F258 S259 G330F251-V255 HydrophobicContact CE1-CG2 4.34Å; F251-V255 HydrophobicContact CE2-CG2 4.24Å; F251-V255 HydrophobicContact CZ-CG2 4.04Å; F251-V255 PolarHBondContact O-N 2.83Å; L252-V255 PolarHBondContact O-N 2.9Å; L252-V255 VanDerWaalsContact O-N 3.15Å; K253-V255 VanDerWaalsContact C-N 3.35Å; V255-T257 PolarHBondContact O-N 2.95Å; V255-F258 HydrophobicContact CB-CD2 3.76Å; V255-F258 HydrophobicContact CB-CE2 4.41Å; V255-F258 HydrophobicContact CG1-CD2 3.51Å; V255-F258 HydrophobicContact CG1-CE2 3.79Å; V255-F258 HydrophobicContact CG1-CG 4.48Å; V255-F258 HydrophobicContact CG2-CD2 4.47Å; V255-F258 PolarHBondContact O-N 2.93Å; V255-S259 PolarHBondContact O-N 3.1Å; V255-G330 VanDerWaalsContact CG1-O 3.3Å; V255-G330 WeakPolarHBondContact CG1-O 2.8Å
256P81.5Confident86.1Confident105 Ų10547.4 Ų47.468%0.68227%0.269SS*.THydrogen-bonded Turntrans-56.5-28.7-174.4-28.135.2000115.2S254 F258 S259S254-P256 WeakPolarHBondContact O-CD 3.15Å; P256-F258 VanDerWaalsContact C-N 3.35Å; P256-S259 PolarHBondContact O-OG 3.18Å
257T80.2Confident85.9Confident65 Ų6545 Ų4540%0.39926%0.258SS..THydrogen-bonded Turntrans-67.2-35.7177.9-52.60000111.9V255 W332V255-T257 PolarHBondContact O-N 2.95Å; T257-W332 HydrophobicContact CG2-CZ2 4.34Å; T257-W332 PolarHBondContact OG1-NE1 3.44Å
258F84.7Confident85.5Confident3 Ų342.9 Ų42.91%0.01324%0.244CC..THydrogen-bonded Turntrans-106-14.7-172.8-50.2-59.2000113.4L252 V255 P256 N260 L261 F294 I296 W332 I370L252-F258 HydrophobicContact CD2-CD2 3.87Å; L252-F258 HydrophobicContact CD2-CE2 4.39Å; L252-F258 HydrophobicContact CD2-CG 4.32Å; V255-F258 HydrophobicContact CB-CD2 3.76Å; V255-F258 HydrophobicContact CB-CE2 4.41Å; V255-F258 HydrophobicContact CG1-CD2 3.51Å; V255-F258 HydrophobicContact CG1-CE2 3.79Å; V255-F258 HydrophobicContact CG1-CG 4.48Å; V255-F258 HydrophobicContact CG2-CD2 4.47Å; V255-F258 PolarHBondContact O-N 2.93Å; P256-F258 VanDerWaalsContact C-N 3.35Å; F258-N260 PolarHBondContact O-N 3.47Å; F258-N260 VanDerWaalsContact O-N 3.07Å; F258-L261 HydrophobicContact CB-CD1 4.18Å; F258-L261 HydrophobicContact CD1-CD1 4.09Å; F258-L261 WeakPolarHBondContact O-CB 3.31Å; F258-L261 VanDerWaalsContact O-CG 3.3Å; F258-L261 WeakPolarHBondContact O-CG 3.18Å; F258-L261 PolarHBondContact O-N 2.87Å; F258-F294 HydrophobicContact CZ-CE1 4.07Å; F258-F294 AromaticContact CZ-CZ 3.97Å; F258-F294 HydrophobicContact CZ-CZ 3.97Å; F258-I296 HydrophobicContact CD2-CD1 4.34Å; F258-I296 HydrophobicContact CE2-CD1 3.59Å; F258-I296 HydrophobicContact CE2-CG1 4.04Å; F258-I296 HydrophobicContact CE2-CG2 4.38Å; F258-I296 HydrophobicContact CZ-CD1 3.94Å; F258-I296 HydrophobicContact CZ-CG1 4.26Å; F258-W332 HydrophobicContact CZ-CG 4.42Å; F258-I370 HydrophobicContact CE1-CD1 4.14Å
259S84.9Confident85.2Confident48 Ų4841.6 Ų41.634%0.33624%0.24SC..THydrogen-bonded Turntrans-58.8-24.4-176.165.10000114.9K253 V255 P256K253-S259 WeakPolarHBondContact O-CB 3.38Å; V255-S259 PolarHBondContact O-N 3.1Å; P256-S259 PolarHBondContact O-OG 3.18Å
260N80.2Confident85.2Confident119 Ų11940.4 Ų40.464%0.63623%0.234SC*.THydrogen-bonded Turntrans-95.88.5-179.1-69.3-48.4000114.2F258 K377F258-N260 PolarHBondContact O-N 3.47Å; F258-N260 VanDerWaalsContact O-N 3.07Å; N260-K377 VanDerWaalsContact O-CE 3.25Å; N260-K377 WeakPolarHBondContact O-CE 3.08Å; N260-K377 PolarHBondContact O-NZ 3.18Å
261L80.5Confident84.6Confident16 Ų1637.1 Ų37.18%0.08421%0.213CC..SBendtrans-79.7148.9175.8-60.4-174.7000111.2F258 T265 I266 L269 L373F258-L261 HydrophobicContact CB-CD1 4.18Å; F258-L261 HydrophobicContact CD1-CD1 4.09Å; F258-L261 WeakPolarHBondContact O-CB 3.31Å; F258-L261 VanDerWaalsContact O-CG 3.3Å; F258-L261 WeakPolarHBondContact O-CG 3.18Å; F258-L261 PolarHBondContact O-N 2.87Å; L261-T265 HydrophobicContact CB-CG2 4.21Å; L261-T265 HydrophobicContact CD1-CG2 4.01Å; L261-I266 HydrophobicContact CB-CD1 4.21Å; L261-I266 HydrophobicContact CB-CG1 3.79Å; L261-L269 HydrophobicContact CD1-CD1 3.86Å; L261-L373 HydrophobicContact CD1-CD2 3.89Å; L261-L373 HydrophobicContact CD2-CB 4.16Å; L261-L373 HydrophobicContact CD2-CD1 4.01Å; L261-L373 HydrophobicContact CD2-CD2 3.47Å; L261-L373 VanDerWaalsContact CD2-CD2 3.47Å; L261-L373 HydrophobicContact CD2-CG 4.05Å; L261-L373 HydrophobicContact CG-CD2 4.33Å
262P81.3Confident84.2Confident30 Ų3037.7 Ų37.720%0.19522%0.216CC..  trans-55.6143.1172.3-21.832.4000111.3S264 T265 I266 K377 Y380P262-S264 PolarHBondContact O-N 3.2Å; P262-S264 VanDerWaalsContact O-N 3.15Å; P262-T265 WeakPolarHBondContact O-CA 3.4Å; P262-T265 WeakPolarHBondContact O-CB 3.47Å; P262-T265 PolarHBondContact O-N 3.44Å; P262-I266 PolarHBondContact O-N 3.5Å; P262-I266 VanDerWaalsContact O-N 3.1Å; P262-K377 HydrophobicContact CG-CG 3.96Å; P262-Y380 HydrophobicContact CB-CD2 4.32Å; P262-Y380 HydrophobicContact CG-CD2 4.29Å
263D83.6Confident84.1Confident105 Ų10538.3 Ų38.356%0.56122%0.219SC*.Hα-helixtrans-54.1-38.7-179.2-73.6-37.1000112.6K253 T265 I266 S267K253-D263 WeakPolarHBondContact CE-OD1 3.42Å; K253-D263 IonicContact NZ-OD1 2.68Å; K253-D263 PolarHBondContact NZ-OD1 2.83Å; D263-T265 PolarHBondContact O-N 3.06Å; D263-I266 PolarHBondContact O-N 2.88Å; D263-S267 WeakPolarHBondContact O-CB 3.35Å; D263-S267 PolarHBondContact O-N 2.77Å
264S74.7Confident83.9Confident11 Ų1138 Ų388%0.07723%0.225CC..Hα-helixtrans-59.1-34.1175.358.30000113.9P262 K268 Y380 Y556P262-S264 PolarHBondContact O-N 3.2Å; P262-S264 VanDerWaalsContact O-N 3.15Å; S264-K268 WeakPolarHBondContact O-CG 3.35Å; S264-K268 PolarHBondContact O-N 3.15Å; S264-K268 VanDerWaalsContact O-N 3.09Å; S264-Y380 VanDerWaalsContact CB-CE1 3.46Å; S264-Y380 WeakPolarHBondContact OG-CD1 3.34Å; S264-Y380 WeakPolarHBondContact OG-CD2 3.44Å; S264-Y380 WeakPolarHBondContact OG-CE1 3.49Å; S264-Y380 WeakPolarHBondContact OG-CE2 3.28Å; S264-Y556 WeakPolarHBondContact CA-O 3.3Å; S264-Y556 VanDerWaalsContact CB-C 3.44Å; S264-Y556 WeakPolarHBondContact CB-O 3.45Å
265T79.3Confident83.8Confident0 Ų039.9 Ų39.90%023%0.226CC..Hα-helixtrans-75.6-44177.9-56.20000110.9L261 P262 D263 S267 K268 L269 L376 Y380L261-T265 HydrophobicContact CB-CG2 4.21Å; L261-T265 HydrophobicContact CD1-CG2 4.01Å; P262-T265 WeakPolarHBondContact O-CA 3.4Å; P262-T265 WeakPolarHBondContact O-CB 3.47Å; P262-T265 PolarHBondContact O-N 3.44Å; D263-T265 PolarHBondContact O-N 3.06Å; T265-S267 VanDerWaalsContact C-N 3.28Å; T265-S267 PolarHBondContact O-N 2.76Å; T265-K268 PolarHBondContact O-N 3.04Å; T265-L269 HydrophobicContact CG2-CD1 4.06Å; T265-L269 WeakPolarHBondContact O-CB 3.36Å; T265-L269 WeakPolarHBondContact O-CG 3.21Å; T265-L269 PolarHBondContact O-N 2.7Å; T265-L376 HydrophobicContact CG2-CD2 3.04Å; T265-L376 WeakPolarHBondContact OG1-CD2 3.48Å; T265-Y380 WeakPolarHBondContact OG1-CE2 3.4Å
266I87.7Confident84.1Confident0 Ų042.1 Ų42.10%024%0.239CC..Hα-helixtrans-62.3-42177.4-62.2-178.2000109.7I249 L252 K253 L261 P262 D263 L269 A270I249-I266 HydrophobicContact CB-CG2 4.25Å; I249-I266 HydrophobicContact CG1-CG2 4.18Å; I249-I266 HydrophobicContact CG2-CG2 4.02Å; L252-I266 HydrophobicContact CB-CG2 3.79Å; L252-I266 HydrophobicContact CD1-CG2 3.93Å; K253-I266 HydrophobicContact CG-CD1 3.64Å; K253-I266 HydrophobicContact CG-CG2 4.38Å; L261-I266 HydrophobicContact CB-CD1 4.21Å; L261-I266 HydrophobicContact CB-CG1 3.79Å; P262-I266 PolarHBondContact O-N 3.5Å; P262-I266 VanDerWaalsContact O-N 3.1Å; D263-I266 PolarHBondContact O-N 2.88Å; I266-L269 WeakPolarHBondContact O-CB 3.4Å; I266-L269 PolarHBondContact O-N 3.23Å; I266-A270 WeakPolarHBondContact O-CB 3.24Å; I266-A270 PolarHBondContact O-N 2.98Å
267S85.2Confident84.6Confident15 Ų1541.3 Ų41.311%0.10523%0.232CC..Hα-helixtrans-58.9-54.2173.3-169.10000110.9H245 D263 T265 L269 A270 D271 G557H245-S267 PolarHBondContact CE1-O 3.27Å; H245-S267 PolarHBondContact NE2-OG 3.5Å; D263-S267 WeakPolarHBondContact O-CB 3.35Å; D263-S267 PolarHBondContact O-N 2.77Å; T265-S267 VanDerWaalsContact C-N 3.28Å; T265-S267 PolarHBondContact O-N 2.76Å; S267-L269 PolarHBondContact O-N 2.68Å; S267-A270 WeakPolarHBondContact O-CB 3.06Å; S267-A270 PolarHBondContact O-N 2.97Å; S267-D271 PolarHBondContact O-N 3.21Å; S267-G557 VanDerWaalsContact CB-O 3.26Å; S267-G557 WeakPolarHBondContact CB-O 3.06Å; S267-G557 PolarHBondContact OG-O 2.67Å
268K81.5Confident85.4Confident44 Ų4439.5 Ų39.519%0.19122%0.218CC..Hα-helixtrans-58.8-33.2176.7-75.4-172.5176.8-166.70113.9S264 T265 Q272 L369S264-K268 WeakPolarHBondContact O-CG 3.35Å; S264-K268 PolarHBondContact O-N 3.15Å; S264-K268 VanDerWaalsContact O-N 3.09Å; T265-K268 PolarHBondContact O-N 3.04Å; K268-Q272 WeakPolarHBondContact O-CG 3.14Å; K268-L369 HydrophobicContact CB-CD1 4.24Å; K268-L369 HydrophobicContact CB-CD2 3.82Å; K268-L369 HydrophobicContact CD-CD2 4.25Å
269L85.9Confident85.9Confident3 Ų348.8 Ų48.82%0.01625%0.253CS..Hα-helixtrans-65.7-51173.6-82.1166.7000110.8L252 L261 T265 I266 S267 D271 Q272 L273 L361 L369 I370L252-L269 HydrophobicContact CD1-CB 3.86Å; L261-L269 HydrophobicContact CD1-CD1 3.86Å; T265-L269 HydrophobicContact CG2-CD1 4.06Å; T265-L269 WeakPolarHBondContact O-CB 3.36Å; T265-L269 WeakPolarHBondContact O-CG 3.21Å; T265-L269 PolarHBondContact O-N 2.7Å; I266-L269 WeakPolarHBondContact O-CB 3.4Å; I266-L269 PolarHBondContact O-N 3.23Å; S267-L269 PolarHBondContact O-N 2.68Å; L269-D271 PolarHBondContact O-N 2.69Å; L269-Q272 PolarHBondContact O-N 3.5Å; L269-L273 WeakPolarHBondContact O-CG 3.15Å; L269-L273 PolarHBondContact O-N 2.92Å; L269-L361 HydrophobicContact CD2-CD1 4.43Å; L269-L361 HydrophobicContact CD2-CD2 3.71Å; L269-L369 HydrophobicContact CD2-CB 3.57Å; L269-L369 HydrophobicContact CD2-CD1 3.78Å; L269-L369 HydrophobicContact CD2-CG 4.33Å; L269-L369 HydrophobicContact CG-CB 3.92Å; L269-L369 HydrophobicContact CG-CD1 4.04Å; L269-I370 HydrophobicContact CD1-CG1 4.36Å; L269-I370 HydrophobicContact CD2-CD1 3.74Å; L269-I370 HydrophobicContact CD2-CG1 3.61Å
270A89.1Confident86.3Confident3 Ų348.9 Ų48.93%0.02525%0.253CS..Hα-helixtrans-54.3-39.417800000112.2H245 I249 L252 I266 S267 Q272 L273H245-A270 WeakPolarHBondContact ND1-CB 3.47Å; I249-A270 HydrophobicContact CG1-CB 3.84Å; L252-A270 HydrophobicContact CD1-CB 4.28Å; I266-A270 WeakPolarHBondContact O-CB 3.24Å; I266-A270 PolarHBondContact O-N 2.98Å; S267-A270 WeakPolarHBondContact O-CB 3.06Å; S267-A270 PolarHBondContact O-N 2.97Å; A270-Q272 PolarHBondContact O-N 3.2Å; A270-L273 PolarHBondContact O-N 3.46Å
271D81.4Confident87Confident27 Ų2748.6 Ų48.614%0.14425%0.251CS..THydrogen-bonded Turntrans-62.1-25.3176.9-82.1-40.8000114.6H241 H245 S267 L269 K559H241-D271 IonicContact NE2-OD1 2.75Å; H245-D271 IonicContact CE1-OD1 3.54Å; H245-D271 PolarHBondContact CE1-OD1 3.07Å; H245-D271 IonicContact CE1-OD2 3.15Å; H245-D271 IonicContact ND1-OD1 2.7Å; H245-D271 PolarHBondContact ND1-OD1 3.45Å; H245-D271 IonicContact NE2-OD1 3.58Å; S267-D271 PolarHBondContact O-N 3.21Å; L269-D271 PolarHBondContact O-N 2.69Å; D271-K559 WeakPolarHBondContact OD1-CD 3.48Å; D271-K559 WeakPolarHBondContact OD1-CE 3.45Å; D271-K559 IonicContact OD1-NZ 2.69Å; D271-K559 PolarHBondContact OD1-NZ 3.29Å; D271-K559 WeakPolarHBondContact OD2-CE 3.35Å; D271-K559 IonicContact OD2-NZ 2.88Å
272Q85.1Confident87.7Confident32 Ų3251.9 Ų51.915%0.1527%0.266CS..THydrogen-bonded Turntrans-103.2-5.5-175.2-61.2-57.7-59.400112.9K268 L269 A270 L361 S365 L369 T645K268-Q272 WeakPolarHBondContact O-CG 3.14Å; L269-Q272 PolarHBondContact O-N 3.5Å; A270-Q272 PolarHBondContact O-N 3.2Å; Q272-L361 HydrophobicContact CB-CD1 3.41Å; Q272-L361 VanDerWaalsContact CB-CD1 3.41Å; Q272-S365 PolarHBondContact OE1-OG 3.27Å; Q272-L369 HydrophobicContact CG-CD1 4.13Å; Q272-T645 HydrophobicContact CG-CG2 3.77Å; Q272-T645 PolarHBondContact OE1-OG1 3.28Å
273L88.7Confident88.4Confident15 Ų1553.7 Ų53.78%0.07927%0.27CS..  trans-76.7133.5179.3-70.5173.8000110.7Y248 L252 L269 A270 I296 L359 A360 L361Y248-L273 HydrophobicContact CD2-CB 4.18Å; Y248-L273 HydrophobicContact CE2-CB 4.3Å; L252-L273 HydrophobicContact CD1-CD1 3.97Å; L252-L273 HydrophobicContact CD2-CD1 4.19Å; L252-L273 HydrophobicContact CG-CD1 4.26Å; L269-L273 WeakPolarHBondContact O-CG 3.15Å; L269-L273 PolarHBondContact O-N 2.92Å; A270-L273 PolarHBondContact O-N 3.46Å; L273-I296 HydrophobicContact CD2-CD1 4.38Å; L273-L359 HydrophobicContact CB-CB 4.25Å; L273-L359 HydrophobicContact CD1-CB 4.1Å; L273-L359 HydrophobicContact CD1-CD1 3.82Å; L273-L359 HydrophobicContact CD2-CB 3.89Å; L273-L359 HydrophobicContact CG-CB 4.28Å; L273-A360 WeakPolarHBondContact CA-O 3.09Å; L273-L361 HydrophobicContact CD2-CB 4.06Å; L273-L361 HydrophobicContact CD2-CD1 4.26Å
274T87.2Confident88.9Confident83 Ų8349.4 Ų49.451%0.50925%0.247SC..EExtended strand (participates in β ladder)trans-114.5129.4171.5520000109.5L359 A360T274-L359 CarbonylContact O-C 3.59Å; T274-L359 WeakPolarHBondContact O-CA 3.47Å; T274-A360 PolarHBondContact N-O 2.8Å; T274-A360 PolarHBondContact O-N 3.28Å; T274-A360 PolarHBondContact OG1-O 3.22Å
275E90.1Very high89.9Confident111 Ų11149.4 Ų49.452%0.51925%0.245SC..EExtended strand (participates in β ladder)trans-82.9130178.5-169171.9108.300110.9Y248 T357 L359Y248-E275 PolarHBondContact OH-OE2 3.47Å; E275-T357 HydrophobicContact CG-CG2 3.46Å; E275-T357 VanDerWaalsContact CG-CG2 3.46Å; E275-L359 HydrophobicContact CB-CD2 4.16Å; E275-L359 HydrophobicContact CG-CD2 4.21Å
276V92.4Very high90.6Very high50 Ų5055.8 Ų55.830%0.30327%0.27SS..EExtended strand (participates in β ladder)trans-134.2125.6177.7-169.90000109.5Y278 C358 A360V276-Y278 HydrophobicContact CB-CE2 3.9Å; V276-Y278 HydrophobicContact CG1-CD2 4.3Å; V276-Y278 HydrophobicContact CG1-CE1 4.15Å; V276-Y278 HydrophobicContact CG1-CE2 3.6Å; V276-C358 PolarHBondContact N-O 3.39Å; V276-C358 PolarHBondContact O-N 3.3Å; V276-A360 HydrophobicContact CG2-CB 4.35Å
277T93.7Very high90.8Very high87 Ų8756.5 Ų56.553%0.53427%0.273SS..EExtended strand (participates in β ladder)trans-105133.2176.7-50.80000110.6V356 T357T277-V356 CarbonylContact C-O 3.59Å; T277-V356 WeakPolarHBondContact CA-O 3.42Å; T277-T357 PolarHBondContact OG1-OG1 2.77Å
278Y95.9Very high90.9Very high27 Ų2757.2 Ų57.211%0.10628%0.283CS..EExtended strand (participates in β ladder)trans-114.6141.3-178.4-63.7-87.5000110.7V276 E282 I284 G355 V356 C358V276-Y278 HydrophobicContact CB-CE2 3.9Å; V276-Y278 HydrophobicContact CG1-CD2 4.3Å; V276-Y278 HydrophobicContact CG1-CE1 4.15Å; V276-Y278 HydrophobicContact CG1-CE2 3.6Å; Y278-E282 HydrophobicContact CD1-CG 4.2Å; Y278-I284 HydrophobicContact CD1-CB 4.49Å; Y278-I284 HydrophobicContact CD1-CG1 3.8Å; Y278-I284 HydrophobicContact CD2-CD1 3.92Å; Y278-I284 HydrophobicContact CD2-CG1 3.7Å; Y278-I284 HydrophobicContact CD2-CG2 4.41Å; Y278-I284 HydrophobicContact CE1-CB 4.29Å; Y278-I284 HydrophobicContact CE1-CG1 4.07Å; Y278-I284 HydrophobicContact CE1-CG2 4.15Å; Y278-I284 HydrophobicContact CE2-CB 4.42Å; Y278-I284 HydrophobicContact CE2-CD1 4.32Å; Y278-I284 HydrophobicContact CE2-CG1 3.96Å; Y278-I284 HydrophobicContact CE2-CG2 3.8Å; Y278-I284 HydrophobicContact CG-CD1 4.18Å; Y278-I284 HydrophobicContact CG-CG1 3.6Å; Y278-G355 CarbonylContact O-C 3.55Å; Y278-G355 WeakPolarHBondContact O-CA 3.43Å; Y278-V356 PolarHBondContact N-O 3.5Å; Y278-V356 PolarHBondContact O-N 3.43Å; Y278-C358 HydrophobicContact CE2-CB 4.3Å
279R95.1Very high91.3Very high198 Ų19857 Ų5775%0.74729%0.29SS*.  trans-75.8160.1178.8-66.9-178.7-174.1-127.30.4111.4N281 E282 A350R279-N281 PolarHBondContact O-N 3.19Å; R279-E282 PolarHBondContact N-OE2 3.02Å; R279-E282 WeakPolarHBondContact O-CB 3.16Å; R279-E282 PolarHBondContact O-N 2.95Å; R279-A350 WeakPolarHBondContact O-CB 3.42Å
280P94.6Very high91.2Very high51 Ų5167 Ų6733%0.33133%0.327SS..THydrogen-bonded Turntrans-52.9135.2174.1-1925.8000111.4E282 E352 D353P280-E282 PolarHBondContact O-N 2.68Å; P280-E352 WeakPolarHBondContact CB-O 3.15Å; P280-E352 WeakPolarHBondContact CG-O 3.21Å; P280-D353 VanDerWaalsContact CG-O 3.25Å; P280-D353 WeakPolarHBondContact CG-O 3.42Å
281N93.4Very high90.8Very high113 Ų11367.2 Ų67.260%0.60433%0.329SS*.THydrogen-bonded Turntrans67.35.6-177.1-55.1-69000116.5R279 A350R279-N281 PolarHBondContact O-N 3.19Å; N281-A350 VanDerWaalsContact CA-O 3.28Å; N281-A350 WeakPolarHBondContact CA-O 3.25Å; N281-A350 PolarHBondContact N-O 2.85Å
282E95.9Very high90.8Very high84 Ų8470.3 Ų70.339%0.39335%0.346SS..  trans-72.4140.6175.1-168.4168.5-171.300111.4Y278 R279 P280 I284 I349 A350Y278-E282 HydrophobicContact CD1-CG 4.2Å; R279-E282 PolarHBondContact N-OE2 3.02Å; R279-E282 WeakPolarHBondContact O-CB 3.16Å; R279-E282 PolarHBondContact O-N 2.95Å; P280-E282 PolarHBondContact O-N 2.68Å; E282-I284 PolarHBondContact O-N 2.64Å; E282-I349 WeakPolarHBondContact O-CA 3.42Å; E282-A350 PolarHBondContact O-N 3.09Å
283Y95.3Very high91Very high69 Ų6971 Ų7127%0.27135%0.351SS..EExtended strand (participates in β ladder)trans-84.2111.2174.8-79.3-105.9000109.3R286 N347 I348 I349Y283-R286 HydrophobicContact CD1-CG 3.78Å; Y283-R286 HydrophobicContact CG-CG 4.1Å; Y283-N347 HydrophobicContact CD1-CB 4.06Å; Y283-N347 HydrophobicContact CE1-CB 3.8Å; Y283-I348 CarbonylContact C-O 3.56Å; Y283-I349 HydrophobicContact CD1-CD1 4.2Å; Y283-I349 HydrophobicContact CD1-CG1 3.68Å; Y283-I349 HydrophobicContact CD2-CG1 4.31Å; Y283-I349 HydrophobicContact CE1-CD1 3.59Å; Y283-I349 HydrophobicContact CE1-CG1 3.63Å; Y283-I349 HydrophobicContact CE2-CD1 4.21Å; Y283-I349 HydrophobicContact CE2-CG1 4.24Å; Y283-I349 HydrophobicContact CG-CG1 4.05Å
284I95.3Very high91Very high15 Ų1570.4 Ų70.48%0.07735%0.348CS..EExtended strand (participates in β ladder)trans-71.8-42.9171.3-55.7171.7000109.3Y278 E282 Y295 V302 F333 I348 V356Y278-I284 HydrophobicContact CD1-CB 4.49Å; Y278-I284 HydrophobicContact CD1-CG1 3.8Å; Y278-I284 HydrophobicContact CD2-CD1 3.92Å; Y278-I284 HydrophobicContact CD2-CG1 3.7Å; Y278-I284 HydrophobicContact CD2-CG2 4.41Å; Y278-I284 HydrophobicContact CE1-CB 4.29Å; Y278-I284 HydrophobicContact CE1-CG1 4.07Å; Y278-I284 HydrophobicContact CE1-CG2 4.15Å; Y278-I284 HydrophobicContact CE2-CB 4.42Å; Y278-I284 HydrophobicContact CE2-CD1 4.32Å; Y278-I284 HydrophobicContact CE2-CG1 3.96Å; Y278-I284 HydrophobicContact CE2-CG2 3.8Å; Y278-I284 HydrophobicContact CG-CD1 4.18Å; Y278-I284 HydrophobicContact CG-CG1 3.6Å; E282-I284 PolarHBondContact O-N 2.64Å; I284-Y295 HydrophobicContact CG2-CD1 4.43Å; I284-Y295 HydrophobicContact CG2-CE1 4.27Å; I284-Y295 HydrophobicContact CG2-CE2 4.5Å; I284-V302 HydrophobicContact CD1-CG1 3.56Å; I284-F333 HydrophobicContact CD1-CZ 4.16Å; I284-F333 HydrophobicContact CG2-CE2 3.79Å; I284-F333 HydrophobicContact CG2-CZ 3.85Å; I284-I348 HydrophobicContact CB-CB 4.35Å; I284-I348 HydrophobicContact CB-CG2 4.32Å; I284-I348 HydrophobicContact CD1-CG2 4.22Å; I284-I348 PolarHBondContact N-O 2.65Å; I284-V356 HydrophobicContact CD1-CG1 4.46Å
285I94.2Very high91.3Very high10 Ų1067.2 Ų67.25%0.05133%0.326CS..EExtended strand (participates in β ladder)trans-133.6139.9176.1-69.6177000109Y295 F333 R344 A346 N347 I348I285-Y295 HydrophobicContact CD1-CD2 4.09Å; I285-Y295 HydrophobicContact CD1-CE2 4.02Å; I285-Y295 HydrophobicContact CG1-CE2 4.21Å; I285-F333 HydrophobicContact CD1-CD2 3.63Å; I285-F333 HydrophobicContact CD1-CE2 3.79Å; I285-F333 HydrophobicContact CG1-CE2 4.34Å; I285-R344 HydrophobicContact CG2-CB 3.56Å; I285-R344 HydrophobicContact CG2-CG 3.53Å; I285-A346 VanDerWaalsContact CG2-O 3.31Å; I285-A346 WeakPolarHBondContact CG2-O 3.39Å; I285-N347 CarbonylContact O-C 3.55Å; I285-N347 VanDerWaalsContact O-CA 3.26Å; I285-N347 WeakPolarHBondContact O-CA 3.33Å; I285-I348 HydrophobicContact CB-CB 4.04Å; I285-I348 HydrophobicContact CB-CG1 3.87Å; I285-I348 HydrophobicContact CD1-CG1 4.14Å; I285-I348 HydrophobicContact CG1-CG1 4.38Å; I285-I348 HydrophobicContact CG2-CG1 4.47Å; I285-I348 PolarHBondContact N-O 3.18Å; I285-I348 PolarHBondContact O-N 3.15Å
286R94Very high91.5Very high135 Ų13562.1 Ų62.151%0.50930%0.302SS..  trans-108.8133.7168.9-66-173.2178-77.10.5110.7Y283 G288 A289 R344 N347Y283-R286 HydrophobicContact CD1-CG 3.78Å; Y283-R286 HydrophobicContact CG-CG 4.1Å; R286-G288 PolarHBondContact O-N 2.91Å; R286-A289 HydrophobicContact CB-CB 4.27Å; R286-A289 VanDerWaalsContact O-CB 3.24Å; R286-A289 WeakPolarHBondContact O-CB 3.36Å; R286-A289 PolarHBondContact O-N 3.25Å; R286-A289 VanDerWaalsContact O-N 3.1Å; R286-R344 WeakPolarHBondContact O-CB 3.39Å; R286-N347 WeakPolarHBondContact CA-OD1 3.25Å
287Q92.7Very high91.6Very high14 Ų1459.7 Ų59.77%0.06529%0.288CS..THydrogen-bonded Turntrans-58.7134.4174.5-173.7-176-4.800110.8A289 Y307 I315 R344 A346 N347Q287-A289 PolarHBondContact O-N 3.42Å; Q287-Y307 PolarHBondContact NE2-O 3.15Å; Q287-Y307 VanDerWaalsContact NE2-O 3.1Å; Q287-I315 HydrophobicContact CG-CD1 3.84Å; Q287-I315 HydrophobicContact CG-CG1 4.46Å; Q287-R344 CarbonylContact C-O 3.48Å; Q287-R344 WeakPolarHBondContact CA-O 2.99Å; Q287-A346 PolarHBondContact N-O 3.24Å; Q287-N347 PolarHBondContact N-OD1 2.85Å
288G88Confident91.6Very high31 Ų3156.5 Ų56.532%0.3227%0.27SS..THydrogen-bonded Turntrans79.2-6.7-176.900000114.7R286 L343 R344R286-G288 PolarHBondContact O-N 2.91Å; G288-L343 WeakPolarHBondContact O-CD2 3.36Å; G288-R344 PolarHBondContact N-O 3.02Å
289A89.2Confident91.5Very high40 Ų4059.3 Ų59.333%0.33129%0.287SS..  trans-69.2151.5170.300000109.9R286 Q287 R344R286-A289 HydrophobicContact CB-CB 4.27Å; R286-A289 VanDerWaalsContact O-CB 3.24Å; R286-A289 WeakPolarHBondContact O-CB 3.36Å; R286-A289 PolarHBondContact O-N 3.25Å; R286-A289 VanDerWaalsContact O-N 3.1Å; Q287-A289 PolarHBondContact O-N 3.42Å; A289-R344 WeakPolarHBondContact O-CB 3.42Å; A289-R344 VanDerWaalsContact O-CG 3.24Å; A289-R344 WeakPolarHBondContact O-CG 3.46Å; A289-R344 PolarHBondContact O-N 2.79Å
290R84.5Confident91.5Very high213 Ų21350.1 Ų50.180%0.80425%0.254SS*.BIsolated β-bridgetrans-72.2141.8163-78.4-176.8171.1171.1-1.8109.2N342 L343R290-N342 CarbonylContact C-O 3.46Å; R290-N342 VanDerWaalsContact CA-O 3.22Å; R290-N342 WeakPolarHBondContact CA-O 3.36Å; R290-L343 HydrophobicContact CG-CD2 3.91Å
291G79.2Confident91.6Very high7 Ų751.6 Ų51.67%0.07226%0.256CS..  trans-156.5147.4172.400000112.7N342G291-N342 PolarHBondContact N-O 2.89Å
292D83.4Confident91.8Very high92 Ų9246.2 Ų46.249%0.49223%0.227SC..  trans-119.3-10.5-171.442.66.9000112.2L338 D362 L363D292-L338 WeakPolarHBondContact O-CD2 3.47Å; D292-D362 CarbonylContact O-C 3.56Å; D292-L363 HydrophobicContact CB-CB 4.06Å; D292-L363 WeakPolarHBondContact O-CA 3.17Å; D292-L363 VanDerWaalsContact O-CB 3.27Å; D292-L363 WeakPolarHBondContact O-CB 3.02Å; D292-L363 PolarHBondContact O-N 2.83Å
293N88Confident91.8Very high47 Ų4745.4 Ų45.425%0.25122%0.223SC..  trans-95140.2-179.1-60.4-39000113.8Y295 R344 L361N293-Y295 HydrophobicContact CB-CD2 4.35Å; N293-Y295 HydrophobicContact CB-CE1 4.34Å; N293-Y295 HydrophobicContact CB-CE2 3.57Å; N293-Y295 WeakPolarHBondContact CB-OH 3.42Å; N293-Y295 PolarHBondContact ND2-OH 3.33Å; N293-R344 VanDerWaalsContact O-CZ 3.26Å; N293-R344 PolarHBondContact O-NH1 3.48Å; N293-R344 PolarHBondContact O-NH2 3.48Å; N293-L361 CarbonylContact C-O 3.48Å; N293-L361 WeakPolarHBondContact CA-O 3.45Å
294F89.8Confident91.8Very high2 Ų242.6 Ų42.61%0.00921%0.213CC..EExtended strand (participates in β ladder)trans-93.2144.1160.2175.7-102.3000109.3F258 I296 W332 E335 L338 A360 L361 Y366 I370F258-F294 HydrophobicContact CZ-CE1 4.07Å; F258-F294 AromaticContact CZ-CZ 3.97Å; F258-F294 HydrophobicContact CZ-CZ 3.97Å; F294-I296 HydrophobicContact CD1-CG1 4.18Å; F294-I296 HydrophobicContact CE1-CD1 3.95Å; F294-I296 HydrophobicContact CE1-CG1 3.47Å; F294-I296 VanDerWaalsContact CE1-CG1 3.47Å; F294-I296 HydrophobicContact CZ-CG1 4.23Å; F294-W332 HydrophobicContact CD2-CE3 4.47Å; F294-W332 HydrophobicContact CE1-CB 4.3Å; F294-W332 HydrophobicContact CE2-CB 4.11Å; F294-W332 AromaticContact CE2-CD2 3.86Å; F294-W332 HydrophobicContact CE2-CD2 3.86Å; F294-W332 AromaticContact CE2-CE3 3.34Å; F294-W332 HydrophobicContact CE2-CE3 3.34Å; F294-W332 HydrophobicContact CE2-CG 4.22Å; F294-W332 AromaticContact CE2-CZ3 3.97Å; F294-W332 HydrophobicContact CE2-CZ3 3.97Å; F294-W332 HydrophobicContact CZ-CB 3.6Å; F294-W332 AromaticContact CZ-CD2 3.79Å; F294-W332 HydrophobicContact CZ-CD2 3.79Å; F294-W332 AromaticContact CZ-CE3 3.79Å; F294-W332 HydrophobicContact CZ-CE3 3.79Å; F294-W332 AromaticContact CZ-CG 3.75Å; F294-W332 HydrophobicContact CZ-CG 3.75Å; F294-E335 HydrophobicContact CD2-CB 4.24Å; F294-E335 HydrophobicContact CE2-CB 4.28Å; F294-L338 HydrophobicContact CB-CD1 3.79Å; F294-A360 CarbonylContact O-C 3.58Å; F294-A360 VanDerWaalsContact O-CA 3.31Å; F294-A360 WeakPolarHBondContact O-CA 3.31Å; F294-L361 HydrophobicContact CB-CB 4.25Å; F294-L361 HydrophobicContact CD1-CB 4.19Å; F294-L361 HydrophobicContact CD1-CD2 4.41Å; F294-L361 PolarHBondContact N-O 3.45Å; F294-L361 PolarHBondContact O-N 2.89Å; F294-Y366 HydrophobicContact CB-CD2 3.8Å; F294-Y366 HydrophobicContact CB-CE2 4.5Å; F294-Y366 HydrophobicContact CB-CG 4.35Å; F294-Y366 HydrophobicContact CD1-CD2 4.24Å; F294-Y366 AromaticContact CD2-CD2 3.79Å; F294-Y366 HydrophobicContact CD2-CD2 3.79Å; F294-Y366 AromaticContact CD2-CE2 3.67Å; F294-Y366 HydrophobicContact CD2-CE2 3.67Å; F294-Y366 HydrophobicContact CE2-CD2 4.38Å; F294-Y366 AromaticContact CE2-CE2 3.95Å; F294-Y366 HydrophobicContact CE2-CE2 3.95Å; F294-Y366 AromaticContact CG-CD2 3.69Å; F294-Y366 HydrophobicContact CG-CD2 3.69Å; F294-Y366 HydrophobicContact CG-CE2 4.07Å; F294-I370 HydrophobicContact CD1-CD1 4.06Å; F294-I370 HydrophobicContact CE1-CD1 3.78Å; F294-I370 HydrophobicContact CZ-CD1 4.36Å
295Y92.9Very high91.8Very high16 Ų1642.4 Ų42.46%0.06321%0.212CC..EExtended strand (participates in β ladder)trans-129.6139.1-178.3-62.5-91.1000111.6I284 I285 N293 W332 F333 C358 L359 A360I284-Y295 HydrophobicContact CG2-CD1 4.43Å; I284-Y295 HydrophobicContact CG2-CE1 4.27Å; I284-Y295 HydrophobicContact CG2-CE2 4.5Å; I285-Y295 HydrophobicContact CD1-CD2 4.09Å; I285-Y295 HydrophobicContact CD1-CE2 4.02Å; I285-Y295 HydrophobicContact CG1-CE2 4.21Å; N293-Y295 HydrophobicContact CB-CD2 4.35Å; N293-Y295 HydrophobicContact CB-CE1 4.34Å; N293-Y295 HydrophobicContact CB-CE2 3.57Å; N293-Y295 WeakPolarHBondContact CB-OH 3.42Å; N293-Y295 PolarHBondContact ND2-OH 3.33Å; Y295-W332 CarbonylContact O-C 3.5Å; Y295-W332 WeakPolarHBondContact O-CA 3.1Å; Y295-W332 WeakPolarHBondContact O-CB 3.2Å; Y295-F333 VanDerWaalsContact CB-CE2 3.43Å; Y295-F333 VanDerWaalsContact CB-CZ 3.46Å; Y295-F333 HydrophobicContact CD1-CE2 4.48Å; Y295-F333 AromaticContact CD2-CD2 3.94Å; Y295-F333 HydrophobicContact CD2-CD2 3.94Å; Y295-F333 AromaticContact CD2-CE2 3.46Å; Y295-F333 HydrophobicContact CD2-CE2 3.46Å; Y295-F333 VanDerWaalsContact CD2-CE2 3.46Å; Y295-F333 HydrophobicContact CD2-CZ 4.26Å; Y295-F333 HydrophobicContact CE2-CE2 4.34Å; Y295-F333 HydrophobicContact CG-CD2 4.26Å; Y295-F333 AromaticContact CG-CE2 3.55Å; Y295-F333 HydrophobicContact CG-CE2 3.55Å; Y295-F333 AromaticContact CG-CZ 3.87Å; Y295-F333 HydrophobicContact CG-CZ 3.87Å; Y295-F333 PolarHBondContact N-O 3.12Å; Y295-F333 PolarHBondContact O-N 3.24Å; Y295-C358 HydrophobicContact CD1-CB 3.93Å; Y295-L359 CarbonylContact C-O 3.56Å; Y295-L359 WeakPolarHBondContact CA-O 3.44Å; Y295-A360 HydrophobicContact CD1-CB 3.73Å; Y295-A360 HydrophobicContact CE1-CB 3.61Å
296I93.5Very high91.8Very high3 Ų344.8 Ų44.82%0.01522%0.224CC..EExtended strand (participates in β ladder)trans-116.1128.2169.2-50168.4000107.4F251 L252 F258 L273 F294 A298 W332 C358 L359F251-I296 HydrophobicContact CE1-CG2 3.72Å; F251-I296 HydrophobicContact CZ-CG2 4.02Å; L252-I296 HydrophobicContact CD2-CD1 3.67Å; F258-I296 HydrophobicContact CD2-CD1 4.34Å; F258-I296 HydrophobicContact CE2-CD1 3.59Å; F258-I296 HydrophobicContact CE2-CG1 4.04Å; F258-I296 HydrophobicContact CE2-CG2 4.38Å; F258-I296 HydrophobicContact CZ-CD1 3.94Å; F258-I296 HydrophobicContact CZ-CG1 4.26Å; L273-I296 HydrophobicContact CD2-CD1 4.38Å; F294-I296 HydrophobicContact CD1-CG1 4.18Å; F294-I296 HydrophobicContact CE1-CD1 3.95Å; F294-I296 HydrophobicContact CE1-CG1 3.47Å; F294-I296 VanDerWaalsContact CE1-CG1 3.47Å; F294-I296 HydrophobicContact CZ-CG1 4.23Å; I296-A298 PolarHBondContact O-N 3.25Å; I296-W332 HydrophobicContact CG1-CB 4.21Å; I296-C358 CarbonylContact O-C 3.45Å; I296-C358 VanDerWaalsContact O-CA 3.3Å; I296-C358 WeakPolarHBondContact O-CA 3.35Å; I296-L359 HydrophobicContact CB-CB 4.47Å; I296-L359 PolarHBondContact N-O 3.05Å; I296-L359 PolarHBondContact O-N 3.08Å
297I94.7Very high91.7Very high0 Ų040.8 Ų40.80%021%0.209CC..EExtended strand (participates in β ladder)trans-77.2112-179.9-58.6171000108.3F251 G300 V302 L327 G328 R329 G330 D331 F333 V356F251-I297 WeakPolarHBondContact CZ-O 3.2Å; I297-G300 WeakPolarHBondContact CG2-O 3.17Å; I297-V302 HydrophobicContact CD1-CG1 4.3Å; I297-V302 HydrophobicContact CD1-CG2 3.62Å; I297-L327 HydrophobicContact CD1-CB 3.62Å; I297-G328 WeakPolarHBondContact CB-O 3.33Å; I297-R329 WeakPolarHBondContact O-CA 3.41Å; I297-G330 PolarHBondContact O-N 3.25Å; I297-D331 HydrophobicContact CD1-CB 4.33Å; I297-D331 PolarHBondContact N-O 2.83Å; I297-F333 HydrophobicContact CD1-CD1 4.17Å; I297-F333 HydrophobicContact CD1-CE1 3.92Å; I297-F333 HydrophobicContact CG1-CD1 4.16Å; I297-F333 HydrophobicContact CG1-CE1 3.63Å; I297-V356 HydrophobicContact CG2-CG1 4.33Å
298A93.6Very high91.6Very high19 Ų1941.5 Ų41.516%0.15722%0.215CC..EExtended strand (participates in β ladder)trans-82.1-37.6175.900000111.7F251 I296 R329 T357 L359F251-A298 HydrophobicContact CE1-CB 4.48Å; F251-A298 HydrophobicContact CZ-CB 4.4Å; I296-A298 PolarHBondContact O-N 3.25Å; A298-R329 VanDerWaalsContact O-CD 3.24Å; A298-R329 WeakPolarHBondContact O-CD 3.5Å; A298-R329 VanDerWaalsContact O-CG 3.27Å; A298-R329 WeakPolarHBondContact O-CG 3.28Å; A298-R329 PolarHBondContact O-NE 3.48Å; A298-T357 HydrophobicContact CB-CG2 4.33Å; A298-T357 PolarHBondContact N-O 2.9Å; A298-L359 HydrophobicContact CB-CD1 4.47Å; A298-L359 HydrophobicContact CB-CD2 4.42Å; A298-L359 HydrophobicContact CB-CG 4.07Å
299D94.4Very high91.5Very high86 Ų8644.3 Ų44.346%0.4623%0.227SC..EExtended strand (participates in β ladder)trans-153145.7-178.1-166.950.1000112.1V356 T357D299-V356 WeakPolarHBondContact O-CG1 3.26Å; D299-T357 PolarHBondContact N-O 3.05Å; D299-T357 PolarHBondContact O-N 2.67Å
300G94.9Very high91.3Very high5 Ų545 Ų455%0.05223%0.227CC..SBendtrans78.7-166.2-178.300000116.5I297 G328 E352I297-G300 WeakPolarHBondContact CG2-O 3.17Å; G300-G328 WeakPolarHBondContact O-CA 3.48Å; G300-E352 WeakPolarHBondContact CA-OE2 3.39Å
301H96.8Very high91.3Very high82 Ų8245 Ų4538%0.3824%0.236SC..  trans-130.8146.5-174.7-65.784000113.5T326 L327 T351 E352 V356H301-T326 HydrophobicContact CB-CG2 3.99Å; H301-L327 VanDerWaalsContact CA-O 3.31Å; H301-L327 WeakPolarHBondContact CA-O 3.4Å; H301-T351 PolarHBondContact O-N 3.36Å; H301-T351 PolarHBondContact O-OG1 3.12Å; H301-E352 HydrophobicContact CB-CG 4.32Å; H301-E352 IonicContact CE1-OE1 2.67Å; H301-E352 IonicContact CG-OE1 2.79Å; H301-E352 IonicContact ND1-OE1 3.33Å; H301-E352 PolarHBondContact ND1-OE1 3.2Å; H301-V356 WeakPolarHBondContact O-CG2 3.44Å
302V96.8Very high91.4Very high0 Ų051.1 Ų51.10%027%0.267CS..EExtended strand (participates in β ladder)trans-123.5146.5175-54.50000111.1I284 I297 T326 L327 F333 I348 I349 V356I284-V302 HydrophobicContact CD1-CG1 3.56Å; I297-V302 HydrophobicContact CD1-CG1 4.3Å; I297-V302 HydrophobicContact CD1-CG2 3.62Å; V302-T326 CarbonylContact O-C 3.6Å; V302-T326 VanDerWaalsContact O-CA 3.27Å; V302-T326 WeakPolarHBondContact O-CA 3.49Å; V302-T326 WeakPolarHBondContact O-CG2 3.48Å; V302-L327 HydrophobicContact CG2-CB 3.78Å; V302-L327 HydrophobicContact CG2-CD1 4.4Å; V302-L327 HydrophobicContact CG2-CG 4.43Å; V302-L327 PolarHBondContact N-O 3.26Å; V302-L327 PolarHBondContact O-N 2.98Å; V302-F333 HydrophobicContact CG2-CE1 4.3Å; V302-I348 HydrophobicContact CB-CG2 3.78Å; V302-I348 HydrophobicContact CG1-CG2 4.18Å; V302-I348 HydrophobicContact CG2-CG2 3.66Å; V302-I349 CarbonylContact C-O 3.46Å; V302-I349 VanDerWaalsContact CA-O 3.24Å; V302-I349 WeakPolarHBondContact CA-O 3.3Å; V302-I349 WeakPolarHBondContact CB-O 3.34Å; V302-V356 HydrophobicContact CG1-CB 4.42Å; V302-V356 HydrophobicContact CG1-CG1 3.71Å; V302-V356 HydrophobicContact CG1-CG2 4.19Å
303K96.4Very high91.1Very high68 Ų6849.3 Ų49.330%0.29627%0.27SS..EExtended strand (participates in β ladder)trans-97137.3167.667.5-177.4177.7-169.50111.1T305 F323 I349 T351K303-T305 HydrophobicContact CD-CG2 4.39Å; K303-T305 HydrophobicContact CG-CG2 4.34Å; K303-F323 HydrophobicContact CB-CD2 4.33Å; K303-F323 HydrophobicContact CB-CE2 4.12Å; K303-I349 HydrophobicContact CG-CB 3.83Å; K303-I349 HydrophobicContact CG-CD1 4.34Å; K303-I349 PolarHBondContact N-O 2.89Å; K303-I349 PolarHBondContact O-N 3.35Å; K303-T351 HydrophobicContact CB-CG2 3.72Å; K303-T351 HydrophobicContact CD-CG2 3.76Å; K303-T351 HydrophobicContact CG-CG2 3.56Å
304V95.8Very high90.9Very high10 Ų1049.3 Ų49.36%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-98.6123.6173.5-173.30000108.7V324 R325 L327 A346 N347 I348V304-V324 HydrophobicContact CB-CB 4.26Å; V304-V324 HydrophobicContact CG1-CB 4.17Å; V304-V324 HydrophobicContact CG1-CG2 4.43Å; V304-V324 PolarHBondContact O-N 3.42Å; V304-R325 HydrophobicContact CB-CG 4.19Å; V304-R325 HydrophobicContact CG2-CG 4Å; V304-R325 PolarHBondContact N-O 2.93Å; V304-L327 HydrophobicContact CG2-CD1 3.87Å; V304-L327 HydrophobicContact CG2-CG 4.03Å; V304-A346 HydrophobicContact CG1-CB 3.85Å; V304-N347 WeakPolarHBondContact CA-O 3.1Å; V304-I348 HydrophobicContact CB-CD1 4.2Å; V304-I348 HydrophobicContact CG1-CD1 3.92Å; V304-I348 HydrophobicContact CG2-CD1 3.68Å
305T95.6Very high90.7Very high10 Ų1051.8 Ų51.86%0.06129%0.289CS..EExtended strand (participates in β ladder)trans-130.6150.2175.973.80000112.1K303 Q322 N347 I349K303-T305 HydrophobicContact CD-CG2 4.39Å; K303-T305 HydrophobicContact CG-CG2 4.34Å; T305-Q322 CarbonylContact C-O 3.59Å; T305-Q322 WeakPolarHBondContact CA-O 3.31Å; T305-Q322 WeakPolarHBondContact CB-O 3.48Å; T305-N347 PolarHBondContact N-O 2.83Å; T305-N347 PolarHBondContact O-N 3.1Å; T305-N347 PolarHBondContact O-ND2 3.31Å; T305-N347 WeakPolarHBondContact OG1-CB 3.4Å; T305-N347 PolarHBondContact OG1-ND2 3.28Å; T305-I349 HydrophobicContact CG2-CD1 4.36Å
306I93Very high90.6Very high60 Ų6052.1 Ų52.131%0.30829%0.292SS..EExtended strand (participates in β ladder)trans-132.5124.9-178.3-64.1177.5000109Q322 V324 A346I306-Q322 PolarHBondContact N-O 3.16Å; I306-Q322 PolarHBondContact O-N 3.36Å; I306-V324 HydrophobicContact CB-CG2 4.3Å; I306-V324 HydrophobicContact CD1-CG2 3.74Å; I306-V324 HydrophobicContact CG1-CG2 3.8Å; I306-A346 HydrophobicContact CD1-CB 4.07Å; I306-A346 HydrophobicContact CG1-CB 3.6Å
307Y93.4Very high90.3Very high51 Ų5160.7 Ų60.720%0.232%0.324CS..PPolyproline II helixtrans-68134.9162.9-75.1-80.4000109.6Q287 I315 K319 P321Q287-Y307 PolarHBondContact NE2-O 3.15Å; Q287-Y307 VanDerWaalsContact NE2-O 3.1Å; Y307-I315 VanDerWaalsContact CB-CG2 3.49Å; Y307-I315 HydrophobicContact CD2-CG2 4.39Å; Y307-I315 HydrophobicContact CG-CG2 4.1Å; Y307-K319 VanDerWaalsContact CD1-O 3.23Å; Y307-K319 WeakPolarHBondContact CD1-O 3.41Å; Y307-K319 VanDerWaalsContact CE1-O 3.24Å; Y307-K319 WeakPolarHBondContact CE1-O 3.11Å; Y307-P321 HydrophobicContact CD1-CB 4.07Å; Y307-P321 HydrophobicContact CD2-CB 4.16Å; Y307-P321 HydrophobicContact CE1-CB 4.03Å; Y307-P321 HydrophobicContact CE1-CG 4.08Å; Y307-P321 HydrophobicContact CE2-CB 4.11Å; Y307-P321 HydrophobicContact CE2-CG 4.38Å; Y307-P321 HydrophobicContact CG-CB 4.13Å
308P89.7Confident90Very high30 Ų3066.8 Ų66.820%0.19536%0.362CS..PPolyproline II helixtrans-60.5151.7173.924.4-31000111D316 K319P308-D316 WeakPolarHBondContact O-CB 3.43Å; P308-D316 PolarHBondContact O-N 3.18Å; P308-K319 HydrophobicContact CG-CB 3.67Å; P308-K319 HydrophobicContact CG-CD 3.69Å; P308-K319 HydrophobicContact CG-CG 4.28Å
309T85.2Confident89.8Confident90 Ų9071.6 Ų71.655%0.55238%0.379SS*.BIsolated β-bridgetrans-99.3143174.141.70000110.8A314T309-A314 CarbonylContact C-O 3.51Å; T309-A314 WeakPolarHBondContact CA-O 3.31Å
310T86.1Confident89.5Confident55 Ų5575.5 Ų75.534%0.33739%0.394SS..PPolyproline II helixtrans-70.1167.7169.845.80000110.7N312 G313 A314 D316T310-N312 WeakPolarHBondContact CB-OD1 3.1Å; T310-N312 PolarHBondContact O-N 3.22Å; T310-N312 VanDerWaalsContact O-N 3.1Å; T310-N312 PolarHBondContact OG1-OD1 3.39Å; T310-G313 PolarHBondContact O-N 2.91Å; T310-A314 PolarHBondContact N-O 2.86Å; T310-A314 WeakPolarHBondContact OG1-CB 3.29Å; T310-A314 PolarHBondContact OG1-N 3.45Å; T310-A314 PolarHBondContact OG1-O 3.36Å; T310-D316 HydrophobicContact CG2-CB 3.93Å
311E83.6Confident89.4Confident213 Ų21376.7 Ų76.7100%0.99540%0.401SS*.THydrogen-bonded Turntrans-57.8-26.8-178.9-67.3-177.4169.900113.9G313E311-G313 VanDerWaalsContact C-N 3.29Å; E311-G313 PolarHBondContact O-N 3.3Å
312N82.8Confident89.2Confident134 Ų13479.1 Ų79.172%0.71741%0.413SS*.THydrogen-bonded Turntrans-868.217566.1-6.1000114T310 A314T310-N312 WeakPolarHBondContact CB-OD1 3.1Å; T310-N312 PolarHBondContact O-N 3.22Å; T310-N312 VanDerWaalsContact O-N 3.1Å; T310-N312 PolarHBondContact OG1-OD1 3.39Å; N312-A314 VanDerWaalsContact C-N 3.33Å; N312-A314 PolarHBondContact O-N 2.94Å; N312-A314 PolarHBondContact OD1-N 3.22Å
313G77Confident89.1Confident54 Ų5485.3 Ų85.356%0.55744%0.44SS*.SBendtrans81.30.9178.400000115.5T310 E311T310-G313 PolarHBondContact O-N 2.91Å; E311-G313 VanDerWaalsContact C-N 3.29Å; E311-G313 PolarHBondContact O-N 3.3Å
314A83.1Confident88.9Confident48 Ų4885.3 Ų85.340%0.39745%0.446SS..  trans-74.4149.7175.900000111.6T309 T310 N312 D316T309-A314 CarbonylContact C-O 3.51Å; T309-A314 WeakPolarHBondContact CA-O 3.31Å; T310-A314 PolarHBondContact N-O 2.86Å; T310-A314 WeakPolarHBondContact OG1-CB 3.29Å; T310-A314 PolarHBondContact OG1-N 3.45Å; T310-A314 PolarHBondContact OG1-O 3.36Å; N312-A314 VanDerWaalsContact C-N 3.33Å; N312-A314 PolarHBondContact O-N 2.94Å; N312-A314 PolarHBondContact OD1-N 3.22Å; A314-D316 PolarHBondContact O-N 2.49Å
315I86.2Confident88.8Confident54 Ų5491.5 Ų91.528%0.27747%0.468SS..BIsolated β-bridgetrans-73.8119.2178.2-61.3165.8000109.2Q287 Y307 R317Q287-I315 HydrophobicContact CG-CD1 3.84Å; Q287-I315 HydrophobicContact CG-CG1 4.46Å; Y307-I315 VanDerWaalsContact CB-CG2 3.49Å; Y307-I315 HydrophobicContact CD2-CG2 4.39Å; Y307-I315 HydrophobicContact CG-CG2 4.1Å; I315-R317 HydrophobicContact CG2-CG 4.16Å; I315-R317 PolarHBondContact O-N 3.29Å
316D89.5Confident88.8Confident23 Ų2394.5 Ų94.512%0.12349%0.486CS..  trans-83.891.9177.8-172.3-1.6000110.8P308 T310 A314 T318 K319P308-D316 WeakPolarHBondContact O-CB 3.43Å; P308-D316 PolarHBondContact O-N 3.18Å; T310-D316 HydrophobicContact CG2-CB 3.93Å; A314-D316 PolarHBondContact O-N 2.49Å; D316-T318 PolarHBondContact O-N 2.71Å; D316-T318 WeakPolarHBondContact OD1-CB 3.48Å; D316-T318 PolarHBondContact OD1-N 3.45Å; D316-T318 PolarHBondContact OD1-OG1 3.34Å; D316-K319 WeakPolarHBondContact OD2-CD 3.49Å; D316-K319 VanDerWaalsContact OD2-CE 3.32Å; D316-K319 WeakPolarHBondContact OD2-CE 3.41Å; D316-K319 IonicContact OD2-NZ 3.5Å
317R88.3Confident88.8Confident183 Ų18392.7 Ų92.769%0.69148%0.477SS*.THydrogen-bonded Turntrans-77.2-0.9177-63.2-172.5179.4-1680113.9I315 K319I315-R317 HydrophobicContact CG2-CG 4.16Å; I315-R317 PolarHBondContact O-N 3.29Å; R317-K319 VanDerWaalsContact C-N 3.31Å
318T87.9Confident88.9Confident128 Ų12890.6 Ų90.679%0.78547%0.471SS*.THydrogen-bonded Turntrans-81.2-16175.7720000112.5D316D316-T318 PolarHBondContact O-N 2.71Å; D316-T318 WeakPolarHBondContact OD1-CB 3.48Å; D316-T318 PolarHBondContact OD1-N 3.45Å; D316-T318 PolarHBondContact OD1-OG1 3.34Å
319K88.7Confident89.1Confident120 Ų12097 Ų9752%0.52249%0.491SS..SBendtrans-101.4152.2175.9-65.8-178.5-176.4173.90111Y307 P308 D316 R317Y307-K319 VanDerWaalsContact CD1-O 3.23Å; Y307-K319 WeakPolarHBondContact CD1-O 3.41Å; Y307-K319 VanDerWaalsContact CE1-O 3.24Å; Y307-K319 WeakPolarHBondContact CE1-O 3.11Å; P308-K319 HydrophobicContact CG-CB 3.67Å; P308-K319 HydrophobicContact CG-CD 3.69Å; P308-K319 HydrophobicContact CG-CG 4.28Å; D316-K319 WeakPolarHBondContact OD2-CD 3.49Å; D316-K319 VanDerWaalsContact OD2-CE 3.32Å; D316-K319 WeakPolarHBondContact OD2-CE 3.41Å; D316-K319 IonicContact OD2-NZ 3.5Å; R317-K319 VanDerWaalsContact C-N 3.31Å
320E89.2Confident89.2Confident167 Ų16793.4 Ų93.478%0.7847%0.472SS*.PPolyproline II helixtrans-65.3140.8173.2-71.6-66.3153.200111.1
321P92.3Very high89.5Confident30 Ų3094.2 Ų94.220%0.19548%0.475CS..PPolyproline II helixtrans-70.2134176.929.6-32.5000110.7Y307Y307-P321 HydrophobicContact CD1-CB 4.07Å; Y307-P321 HydrophobicContact CD2-CB 4.16Å; Y307-P321 HydrophobicContact CE1-CB 4.03Å; Y307-P321 HydrophobicContact CE1-CG 4.08Å; Y307-P321 HydrophobicContact CE2-CB 4.11Å; Y307-P321 HydrophobicContact CE2-CG 4.38Å; Y307-P321 HydrophobicContact CG-CB 4.13Å
322Q92.9Very high89.9Confident133 Ų13388 Ų8862%0.62144%0.442SS*.EExtended strand (participates in β ladder)trans-83.2136.8-179.1-64.4179.9-5.600110.8T305 I306T305-Q322 CarbonylContact C-O 3.59Å; T305-Q322 WeakPolarHBondContact CA-O 3.31Å; T305-Q322 WeakPolarHBondContact CB-O 3.48Å; I306-Q322 PolarHBondContact N-O 3.16Å; I306-Q322 PolarHBondContact O-N 3.36Å
323F95.1Very high90.2Very high130 Ų13082 Ų8257%0.5741%0.41SS*.EExtended strand (participates in β ladder)trans-69.2136.1171.7173.9-99.8000110.9K303 R325K303-F323 HydrophobicContact CB-CD2 4.33Å; K303-F323 HydrophobicContact CB-CE2 4.12Å; F323-R325 VanDerWaalsContact CE2-C 3.45Å; F323-R325 WeakPolarHBondContact CE2-O 3.28Å; F323-R325 VanDerWaalsContact CZ-CA 3.43Å
324V92.4Very high90.6Very high69 Ų6980 Ų8042%0.41839%0.389SS..EExtended strand (participates in β ladder)trans-109-56178.6-177.10000110.9V304 I306V304-V324 HydrophobicContact CB-CB 4.26Å; V304-V324 HydrophobicContact CG1-CB 4.17Å; V304-V324 HydrophobicContact CG1-CG2 4.43Å; V304-V324 PolarHBondContact O-N 3.42Å; I306-V324 HydrophobicContact CB-CG2 4.3Å; I306-V324 HydrophobicContact CD1-CG2 3.74Å; I306-V324 HydrophobicContact CG1-CG2 3.8Å
325R94Very high90.5Very high140 Ų14080 Ų8053%0.52838%0.38SS..EExtended strand (participates in β ladder)trans-168.2170.3-178.560.1-176.5158.2-147.40.8111.5V304 F323 L327V304-R325 HydrophobicContact CB-CG 4.19Å; V304-R325 HydrophobicContact CG2-CG 4Å; V304-R325 PolarHBondContact N-O 2.93Å; F323-R325 VanDerWaalsContact CE2-C 3.45Å; F323-R325 WeakPolarHBondContact CE2-O 3.28Å; F323-R325 VanDerWaalsContact CZ-CA 3.43Å; R325-L327 HydrophobicContact CG-CD2 4.34Å
326T94.9Very high90Very high73 Ų7382.9 Ų82.945%0.44839%0.391SS..EExtended strand (participates in β ladder)trans-104.8143.6166.9-54.80000108.9H301 V302H301-T326 HydrophobicContact CB-CG2 3.99Å; V302-T326 CarbonylContact O-C 3.6Å; V302-T326 VanDerWaalsContact O-CA 3.27Å; V302-T326 WeakPolarHBondContact O-CA 3.49Å; V302-T326 WeakPolarHBondContact O-CG2 3.48Å
327L93.3Very high89.2Confident22 Ų2281.9 Ų81.912%0.11539%0.386CS..EExtended strand (participates in β ladder)trans-120.6147.4172.1-57.3174.3000108.6I297 H301 V302 V304 R325 D331 F333I297-L327 HydrophobicContact CD1-CB 3.62Å; H301-L327 VanDerWaalsContact CA-O 3.31Å; H301-L327 WeakPolarHBondContact CA-O 3.4Å; V302-L327 HydrophobicContact CG2-CB 3.78Å; V302-L327 HydrophobicContact CG2-CD1 4.4Å; V302-L327 HydrophobicContact CG2-CG 4.43Å; V302-L327 PolarHBondContact N-O 3.26Å; V302-L327 PolarHBondContact O-N 2.98Å; V304-L327 HydrophobicContact CG2-CD1 3.87Å; V304-L327 HydrophobicContact CG2-CG 4.03Å; R325-L327 HydrophobicContact CG-CD2 4.34Å; L327-D331 WeakPolarHBondContact CA-OD2 3.11Å; L327-D331 HydrophobicContact CB-CB 3.86Å; L327-D331 HydrophobicContact CD2-CB 4.2Å; L327-D331 HydrophobicContact CG-CB 4.47Å; L327-F333 HydrophobicContact CD1-CB 4.23Å; L327-F333 HydrophobicContact CD1-CD1 4.2Å
328G93.9Very high88.3Confident7 Ų773.7 Ų73.77%0.07236%0.356CS..  trans-133.9-166.1-17800000113I297 G300 G330 D331I297-G328 WeakPolarHBondContact CB-O 3.33Å; G300-G328 WeakPolarHBondContact O-CA 3.48Å; G328-G330 PolarHBondContact O-N 3.38Å; G328-D331 PolarHBondContact N-OD2 3.32Å; G328-D331 VanDerWaalsContact O-CB 3.25Å; G328-D331 WeakPolarHBondContact O-CB 3.4Å; G328-D331 PolarHBondContact O-N 3.18Å
329R93.9Very high87.2Confident164 Ų16472.5 Ų72.562%0.61935%0.349SS*.THydrogen-bonded Turntrans-49.9124.8-177.9-179.9167.7-174.5-106.21.1113F251 I297 A298 D331F251-R329 HydrophobicContact CE2-CG 4.12Å; I297-R329 WeakPolarHBondContact O-CA 3.41Å; A298-R329 VanDerWaalsContact O-CD 3.24Å; A298-R329 WeakPolarHBondContact O-CD 3.5Å; A298-R329 VanDerWaalsContact O-CG 3.27Å; A298-R329 WeakPolarHBondContact O-CG 3.28Å; A298-R329 PolarHBondContact O-NE 3.48Å; R329-D331 VanDerWaalsContact C-N 3.32Å
330G89.3Confident86.1Confident14 Ų1469.5 Ų69.514%0.14435%0.351CS..THydrogen-bonded Turntrans88.4-13.6-179.100000114.8V255 I297 G328V255-G330 VanDerWaalsContact CG1-O 3.3Å; V255-G330 WeakPolarHBondContact CG1-O 2.8Å; I297-G330 PolarHBondContact O-N 3.25Å; G328-G330 PolarHBondContact O-N 3.38Å
331D91.5Very high85.2Confident73 Ų7368.3 Ų68.339%0.3935%0.35SS..  trans-72.6160166.5-65.9-42.2000110.4I297 L327 G328 R329I297-D331 HydrophobicContact CD1-CB 4.33Å; I297-D331 PolarHBondContact N-O 2.83Å; L327-D331 WeakPolarHBondContact CA-OD2 3.11Å; L327-D331 HydrophobicContact CB-CB 3.86Å; L327-D331 HydrophobicContact CD2-CB 4.2Å; L327-D331 HydrophobicContact CG-CB 4.47Å; G328-D331 PolarHBondContact N-OD2 3.32Å; G328-D331 VanDerWaalsContact O-CB 3.25Å; G328-D331 WeakPolarHBondContact O-CB 3.4Å; G328-D331 PolarHBondContact O-N 3.18Å; R329-D331 VanDerWaalsContact C-N 3.32Å
332W91.3Very high84.3Confident83 Ų8369.5 Ų69.531%0.31436%0.355SS..EExtended strand (participates in β ladder)trans-140.6159.3-17852.7-95.1000111.2T257 F258 F294 Y295 I296 E335T257-W332 HydrophobicContact CG2-CZ2 4.34Å; T257-W332 PolarHBondContact OG1-NE1 3.44Å; F258-W332 HydrophobicContact CZ-CG 4.42Å; F294-W332 HydrophobicContact CD2-CE3 4.47Å; F294-W332 HydrophobicContact CE1-CB 4.3Å; F294-W332 HydrophobicContact CE2-CB 4.11Å; F294-W332 AromaticContact CE2-CD2 3.86Å; F294-W332 HydrophobicContact CE2-CD2 3.86Å; F294-W332 AromaticContact CE2-CE3 3.34Å; F294-W332 HydrophobicContact CE2-CE3 3.34Å; F294-W332 HydrophobicContact CE2-CG 4.22Å; F294-W332 AromaticContact CE2-CZ3 3.97Å; F294-W332 HydrophobicContact CE2-CZ3 3.97Å; F294-W332 HydrophobicContact CZ-CB 3.6Å; F294-W332 AromaticContact CZ-CD2 3.79Å; F294-W332 HydrophobicContact CZ-CD2 3.79Å; F294-W332 AromaticContact CZ-CE3 3.79Å; F294-W332 HydrophobicContact CZ-CE3 3.79Å; F294-W332 AromaticContact CZ-CG 3.75Å; F294-W332 HydrophobicContact CZ-CG 3.75Å; Y295-W332 CarbonylContact O-C 3.5Å; Y295-W332 WeakPolarHBondContact O-CA 3.1Å; Y295-W332 WeakPolarHBondContact O-CB 3.2Å; I296-W332 HydrophobicContact CG1-CB 4.21Å; W332-E335 HydrophobicContact CE3-CB 4.44Å; W332-E335 HydrophobicContact CH2-CG 4.25Å; W332-E335 HydrophobicContact CZ3-CB 3.76Å; W332-E335 HydrophobicContact CZ3-CG 3.55Å
333F90.6Very high83.8Confident8 Ų867.1 Ų67.14%0.03535%0.346CS..EExtended strand (participates in β ladder)trans-155.4164.1-178.358-95.6000112.5I284 I285 Y295 I297 V302 L327 I348I284-F333 HydrophobicContact CD1-CZ 4.16Å; I284-F333 HydrophobicContact CG2-CE2 3.79Å; I284-F333 HydrophobicContact CG2-CZ 3.85Å; I285-F333 HydrophobicContact CD1-CD2 3.63Å; I285-F333 HydrophobicContact CD1-CE2 3.79Å; I285-F333 HydrophobicContact CG1-CE2 4.34Å; Y295-F333 VanDerWaalsContact CB-CE2 3.43Å; Y295-F333 VanDerWaalsContact CB-CZ 3.46Å; Y295-F333 HydrophobicContact CD1-CE2 4.48Å; Y295-F333 AromaticContact CD2-CD2 3.94Å; Y295-F333 HydrophobicContact CD2-CD2 3.94Å; Y295-F333 AromaticContact CD2-CE2 3.46Å; Y295-F333 HydrophobicContact CD2-CE2 3.46Å; Y295-F333 VanDerWaalsContact CD2-CE2 3.46Å; Y295-F333 HydrophobicContact CD2-CZ 4.26Å; Y295-F333 HydrophobicContact CE2-CE2 4.34Å; Y295-F333 HydrophobicContact CG-CD2 4.26Å; Y295-F333 AromaticContact CG-CE2 3.55Å; Y295-F333 HydrophobicContact CG-CE2 3.55Å; Y295-F333 AromaticContact CG-CZ 3.87Å; Y295-F333 HydrophobicContact CG-CZ 3.87Å; Y295-F333 PolarHBondContact N-O 3.12Å; Y295-F333 PolarHBondContact O-N 3.24Å; I297-F333 HydrophobicContact CD1-CD1 4.17Å; I297-F333 HydrophobicContact CD1-CE1 3.92Å; I297-F333 HydrophobicContact CG1-CD1 4.16Å; I297-F333 HydrophobicContact CG1-CE1 3.63Å; V302-F333 HydrophobicContact CG2-CE1 4.3Å; L327-F333 HydrophobicContact CD1-CB 4.23Å; L327-F333 HydrophobicContact CD1-CD1 4.2Å; F333-I348 HydrophobicContact CB-CD1 4.44Å; F333-I348 HydrophobicContact CD1-CG2 4.3Å; F333-I348 HydrophobicContact CD2-CB 4.4Å; F333-I348 HydrophobicContact CD2-CD1 4.41Å; F333-I348 HydrophobicContact CD2-CG1 3.85Å; F333-I348 HydrophobicContact CD2-CG2 4.16Å; F333-I348 HydrophobicContact CE1-CG2 4Å; F333-I348 HydrophobicContact CE2-CB 4.23Å; F333-I348 HydrophobicContact CE2-CG1 4.16Å; F333-I348 HydrophobicContact CE2-CG2 3.84Å; F333-I348 HydrophobicContact CG-CD1 4.38Å; F333-I348 HydrophobicContact CG-CG1 4.29Å; F333-I348 HydrophobicContact CG-CG2 4.38Å; F333-I348 HydrophobicContact CZ-CG2 3.77Å
334G84.8Confident83.5Confident11 Ų1161.7 Ų61.711%0.11332%0.322CS..  trans101.5-4.417300000114.3K336 A337 R344G334-K336 VanDerWaalsContact C-N 3.27Å; G334-K336 PolarHBondContact O-N 3.19Å; G334-A337 PolarHBondContact O-N 2.76Å; G334-R344 VanDerWaalsContact CA-NH1 3.31Å; G334-R344 PolarHBondContact O-NH1 2.86Å
335E81.3Confident83.2Confident47 Ų4762.1 Ų62.122%0.2233%0.325CS..G310 helixtrans-57.4-34.9178.582.2-69.4-178.100113.6F294 W332 A337 L338 T339F294-E335 HydrophobicContact CD2-CB 4.24Å; F294-E335 HydrophobicContact CE2-CB 4.28Å; W332-E335 HydrophobicContact CE3-CB 4.44Å; W332-E335 HydrophobicContact CH2-CG 4.25Å; W332-E335 HydrophobicContact CZ3-CB 3.76Å; W332-E335 HydrophobicContact CZ3-CG 3.55Å; E335-A337 VanDerWaalsContact C-N 3.29Å; E335-A337 PolarHBondContact O-N 2.83Å; E335-L338 WeakPolarHBondContact O-CB 3.29Å; E335-L338 PolarHBondContact O-N 2.94Å; E335-T339 PolarHBondContact O-OG1 2.98Å
336K74.4Confident83.1Confident115 Ų11556 Ų5650%0.530%0.304SS..G310 helixtrans-66.3-32.8-173.4-64.1-168.7177.4-178.20112.8G334 L338 T339 T345G334-K336 VanDerWaalsContact C-N 3.27Å; G334-K336 PolarHBondContact O-N 3.19Å; K336-L338 PolarHBondContact O-N 2.92Å; K336-T339 PolarHBondContact O-OG1 2.89Å; K336-T345 HydrophobicContact CB-CG2 4.49Å
337A72.7Confident83.1Confident3 Ų352.7 Ų52.73%0.02528%0.284CS..G310 helixtrans-68.8-28.4175.600000111G334 E335 T339 N342G334-A337 PolarHBondContact O-N 2.76Å; E335-A337 VanDerWaalsContact C-N 3.29Å; E335-A337 PolarHBondContact O-N 2.83Å; A337-T339 PolarHBondContact O-N 3.38Å; A337-N342 WeakPolarHBondContact O-CA 3.17Å; A337-N342 PolarHBondContact O-N 3.17Å; A337-N342 PolarHBondContact O-OD1 3.07Å; A337-N342 VanDerWaalsContact O-OD1 3.1Å
338L69.2Low83.3Confident11 Ų1152.2 Ų52.26%0.05828%0.281CS..G310 helixtrans-78.4-5.7-175.1-45.3-178.1000113D292 F294 E335 K336 L363 Y366D292-L338 WeakPolarHBondContact O-CD2 3.47Å; F294-L338 HydrophobicContact CB-CD1 3.79Å; E335-L338 WeakPolarHBondContact O-CB 3.29Å; E335-L338 PolarHBondContact O-N 2.94Å; K336-L338 PolarHBondContact O-N 2.92Å; L338-L363 HydrophobicContact CB-CD1 3.57Å; L338-L363 HydrophobicContact CD1-CD1 4.45Å; L338-L363 HydrophobicContact CD2-CB 4.45Å; L338-L363 HydrophobicContact CD2-CD1 3.46Å; L338-L363 VanDerWaalsContact CD2-CD1 3.46Å; L338-L363 HydrophobicContact CG-CD1 3.95Å; L338-Y366 HydrophobicContact CB-CD1 3.91Å; L338-Y366 HydrophobicContact CB-CE1 3.92Å; L338-Y366 HydrophobicContact CD1-CD1 3.4Å; L338-Y366 VanDerWaalsContact CD1-CD1 3.4Å; L338-Y366 HydrophobicContact CD1-CD2 3.84Å; L338-Y366 HydrophobicContact CD1-CE1 3.83Å; L338-Y366 HydrophobicContact CD1-CE2 4.24Å; L338-Y366 HydrophobicContact CD1-CG 3.42Å; L338-Y366 VanDerWaalsContact CD1-CG 3.42Å; L338-Y366 HydrophobicContact CG-CD1 4.29Å
339T65Low83.4Confident103 Ų10352.1 Ų52.163%0.63228%0.279SS*.THydrogen-bonded Turntrans-11954.9-178.946.50000110.9E335 K336 A337E335-T339 PolarHBondContact O-OG1 2.98Å; K336-T339 PolarHBondContact O-OG1 2.89Å; A337-T339 PolarHBondContact O-N 3.38Å
340G67.2Low83.5Confident56 Ų5644.3 Ų44.358%0.57725%0.25SC*.THydrogen-bonded Turntrans157.8-131.2176.500000114N342G340-N342 PolarHBondContact O-N 2.68Å; G340-N342 VanDerWaalsContact O-N 3.1Å
341D70.2Confident83.6Confident142 Ų14246.2 Ų46.276%0.75926%0.259SS*.THydrogen-bonded Turntrans-75.210.1-173.7-63.4-27000114.8L343D341-L343 HydrophobicContact CB-CD1 4.49Å; D341-L343 HydrophobicContact CB-CG 4.45Å; D341-L343 PolarHBondContact O-N 3.06Å
342N72.9Confident83.1Confident56 Ų5645.7 Ų45.730%0.29925%0.254SS..  trans59.819.6-176.4-63.6-17.3000115.2R290 G291 A337 G340R290-N342 CarbonylContact C-O 3.46Å; R290-N342 VanDerWaalsContact CA-O 3.22Å; R290-N342 WeakPolarHBondContact CA-O 3.36Å; G291-N342 PolarHBondContact N-O 2.89Å; A337-N342 WeakPolarHBondContact O-CA 3.17Å; A337-N342 PolarHBondContact O-N 3.17Å; A337-N342 PolarHBondContact O-OD1 3.07Å; A337-N342 VanDerWaalsContact O-OD1 3.1Å; G340-N342 PolarHBondContact O-N 2.68Å; G340-N342 VanDerWaalsContact O-N 3.1Å
343L82.2Confident82.6Confident83 Ų8349 Ų4944%0.43528%0.278SS..BIsolated β-bridgetrans-94133.7178.3-66175.4000112G288 R290 D341G288-L343 WeakPolarHBondContact O-CD2 3.36Å; R290-L343 HydrophobicContact CG-CD2 3.91Å; D341-L343 HydrophobicContact CB-CD1 4.49Å; D341-L343 HydrophobicContact CB-CG 4.45Å; D341-L343 PolarHBondContact O-N 3.06Å
344R88.1Confident82.4Confident16 Ų1657.5 Ų57.56%0.0632%0.318CS..  trans-75.7127.8179.4-62-69.9-163.4-168.12.3110.8I285 R286 Q287 G288 A289 N293 G334I285-R344 HydrophobicContact CG2-CB 3.56Å; I285-R344 HydrophobicContact CG2-CG 3.53Å; R286-R344 WeakPolarHBondContact O-CB 3.39Å; Q287-R344 CarbonylContact C-O 3.48Å; Q287-R344 WeakPolarHBondContact CA-O 2.99Å; G288-R344 PolarHBondContact N-O 3.02Å; A289-R344 WeakPolarHBondContact O-CB 3.42Å; A289-R344 VanDerWaalsContact O-CG 3.24Å; A289-R344 WeakPolarHBondContact O-CG 3.46Å; A289-R344 PolarHBondContact O-N 2.79Å; N293-R344 VanDerWaalsContact O-CZ 3.26Å; N293-R344 PolarHBondContact O-NH1 3.48Å; N293-R344 PolarHBondContact O-NH2 3.48Å; G334-R344 VanDerWaalsContact CA-NH1 3.31Å; G334-R344 PolarHBondContact O-NH1 2.86Å
345T87.3Confident82.6Confident78 Ų7857.2 Ų57.248%0.47932%0.315SS..  trans-90.5-9.9-173.960.40000114.5K336K336-T345 HydrophobicContact CB-CG2 4.49Å
346A91.5Very high83.3Confident12 Ų1255 Ų5510%0.09930%0.304CS..SBendtrans-148.4160.2-178.600000110.5I285 Q287 V304 I306I285-A346 VanDerWaalsContact CG2-O 3.31Å; I285-A346 WeakPolarHBondContact CG2-O 3.39Å; Q287-A346 PolarHBondContact N-O 3.24Å; V304-A346 HydrophobicContact CG1-CB 3.85Å; I306-A346 HydrophobicContact CD1-CB 4.07Å; I306-A346 HydrophobicContact CG1-CB 3.6Å
347N95Very high84.3Confident3 Ų350.6 Ų50.62%0.01629%0.287CS..EExtended strand (participates in β ladder)trans-83.3144.1164-53.8-60.4000109.7Y283 I285 R286 Q287 V304 T305 I349Y283-N347 HydrophobicContact CD1-CB 4.06Å; Y283-N347 HydrophobicContact CE1-CB 3.8Å; I285-N347 CarbonylContact O-C 3.55Å; I285-N347 VanDerWaalsContact O-CA 3.26Å; I285-N347 WeakPolarHBondContact O-CA 3.33Å; R286-N347 WeakPolarHBondContact CA-OD1 3.25Å; Q287-N347 PolarHBondContact N-OD1 2.85Å; V304-N347 WeakPolarHBondContact CA-O 3.1Å; T305-N347 PolarHBondContact N-O 2.83Å; T305-N347 PolarHBondContact O-N 3.1Å; T305-N347 PolarHBondContact O-ND2 3.31Å; T305-N347 WeakPolarHBondContact OG1-CB 3.4Å; T305-N347 PolarHBondContact OG1-ND2 3.28Å; N347-I349 HydrophobicContact CB-CD1 4.4Å; N347-I349 HydrophobicContact CB-CG1 4.39Å
348I96.6Very high85.4Confident11 Ų1150.4 Ų50.46%0.05629%0.286CS..EExtended strand (participates in β ladder)trans-125.5121.7171.3-50.5-66.3000107.1Y283 I284 I285 V302 V304 F333Y283-I348 CarbonylContact C-O 3.56Å; I284-I348 HydrophobicContact CB-CB 4.35Å; I284-I348 HydrophobicContact CB-CG2 4.32Å; I284-I348 HydrophobicContact CD1-CG2 4.22Å; I284-I348 PolarHBondContact N-O 2.65Å; I285-I348 HydrophobicContact CB-CB 4.04Å; I285-I348 HydrophobicContact CB-CG1 3.87Å; I285-I348 HydrophobicContact CD1-CG1 4.14Å; I285-I348 HydrophobicContact CG1-CG1 4.38Å; I285-I348 HydrophobicContact CG2-CG1 4.47Å; I285-I348 PolarHBondContact N-O 3.18Å; I285-I348 PolarHBondContact O-N 3.15Å; V302-I348 HydrophobicContact CB-CG2 3.78Å; V302-I348 HydrophobicContact CG1-CG2 4.18Å; V302-I348 HydrophobicContact CG2-CG2 3.66Å; V304-I348 HydrophobicContact CB-CD1 4.2Å; V304-I348 HydrophobicContact CG1-CD1 3.92Å; V304-I348 HydrophobicContact CG2-CD1 3.68Å; F333-I348 HydrophobicContact CB-CD1 4.44Å; F333-I348 HydrophobicContact CD1-CG2 4.3Å; F333-I348 HydrophobicContact CD2-CB 4.4Å; F333-I348 HydrophobicContact CD2-CD1 4.41Å; F333-I348 HydrophobicContact CD2-CG1 3.85Å; F333-I348 HydrophobicContact CD2-CG2 4.16Å; F333-I348 HydrophobicContact CE1-CG2 4Å; F333-I348 HydrophobicContact CE2-CB 4.23Å; F333-I348 HydrophobicContact CE2-CG1 4.16Å; F333-I348 HydrophobicContact CE2-CG2 3.84Å; F333-I348 HydrophobicContact CG-CD1 4.38Å; F333-I348 HydrophobicContact CG-CG1 4.29Å; F333-I348 HydrophobicContact CG-CG2 4.38Å; F333-I348 HydrophobicContact CZ-CG2 3.77Å
349I96.6Very high86.6Confident6 Ų650 Ų503%0.03128%0.283CS..EExtended strand (participates in β ladder)trans-129128.3-169.9-53.8162.3000109E282 Y283 V302 K303 T305 N347E282-I349 WeakPolarHBondContact O-CA 3.42Å; Y283-I349 HydrophobicContact CD1-CD1 4.2Å; Y283-I349 HydrophobicContact CD1-CG1 3.68Å; Y283-I349 HydrophobicContact CD2-CG1 4.31Å; Y283-I349 HydrophobicContact CE1-CD1 3.59Å; Y283-I349 HydrophobicContact CE1-CG1 3.63Å; Y283-I349 HydrophobicContact CE2-CD1 4.21Å; Y283-I349 HydrophobicContact CE2-CG1 4.24Å; Y283-I349 HydrophobicContact CG-CG1 4.05Å; V302-I349 CarbonylContact C-O 3.46Å; V302-I349 VanDerWaalsContact CA-O 3.24Å; V302-I349 WeakPolarHBondContact CA-O 3.3Å; V302-I349 WeakPolarHBondContact CB-O 3.34Å; K303-I349 HydrophobicContact CG-CB 3.83Å; K303-I349 HydrophobicContact CG-CD1 4.34Å; K303-I349 PolarHBondContact N-O 2.89Å; K303-I349 PolarHBondContact O-N 3.35Å; T305-I349 HydrophobicContact CG2-CD1 4.36Å; N347-I349 HydrophobicContact CB-CD1 4.4Å; N347-I349 HydrophobicContact CB-CG1 4.39Å
350A96.9Very high87.9Confident0 Ų045.2 Ų45.20%025%0.254CS..EExtended strand (participates in β ladder)trans-65.3133.9175.400000111.1R279 N281 E282 V356R279-A350 WeakPolarHBondContact O-CB 3.42Å; N281-A350 VanDerWaalsContact CA-O 3.28Å; N281-A350 WeakPolarHBondContact CA-O 3.25Å; N281-A350 PolarHBondContact N-O 2.85Å; E282-A350 PolarHBondContact O-N 3.09Å; A350-V356 HydrophobicContact CB-CB 4Å; A350-V356 HydrophobicContact CB-CG2 3.61Å
351T91.2Very high88.9Confident54 Ų5442.6 Ų42.633%0.33123%0.227SC..  trans-117.8-19.9-173.951.20000116H301 K303H301-T351 PolarHBondContact O-N 3.36Å; H301-T351 PolarHBondContact O-OG1 3.12Å; K303-T351 HydrophobicContact CB-CG2 3.72Å; K303-T351 HydrophobicContact CD-CG2 3.76Å; K303-T351 HydrophobicContact CG-CG2 3.56Å
352E80.2Confident89.6Confident61 Ų6137.3 Ų37.329%0.28520%0.199SC..  trans-79.9149.8-178.8-78.9-170.9179.400113.1P280 G300 H301 E354 G355P280-E352 WeakPolarHBondContact CB-O 3.15Å; P280-E352 WeakPolarHBondContact CG-O 3.21Å; G300-E352 WeakPolarHBondContact CA-OE2 3.39Å; H301-E352 HydrophobicContact CB-CG 4.32Å; H301-E352 IonicContact CE1-OE1 2.67Å; H301-E352 IonicContact CG-OE1 2.79Å; H301-E352 IonicContact ND1-OE1 3.33Å; H301-E352 PolarHBondContact ND1-OE1 3.2Å; E352-E354 VanDerWaalsContact C-N 3.32Å; E352-E354 PolarHBondContact O-N 3.15Å; E352-G355 PolarHBondContact O-N 3.01Å
353D81.8Confident90Very high154 Ų15435.6 Ų35.682%0.82419%0.189SC*.THydrogen-bonded Turntrans-68.1-29.3-178.7-68.1-33.7000112.9P280 G355P280-D353 VanDerWaalsContact CG-O 3.25Å; P280-D353 WeakPolarHBondContact CG-O 3.42Å; D353-G355 VanDerWaalsContact C-N 3.3Å
354E85.3Confident89.8Confident186 Ų18635.6 Ų35.687%0.86919%0.187SC*.THydrogen-bonded Turntrans-83.6-6.8176-61.1-167.617500112.8E352E352-E354 VanDerWaalsContact C-N 3.32Å; E352-E354 PolarHBondContact O-N 3.15Å
355G89.6Confident89.4Confident5 Ų534.9 Ų34.95%0.05219%0.185CC..  trans96.5-175-174.300000112.8Y278 E352 D353Y278-G355 CarbonylContact O-C 3.55Å; Y278-G355 WeakPolarHBondContact O-CA 3.43Å; E352-G355 PolarHBondContact O-N 3.01Å; D353-G355 VanDerWaalsContact C-N 3.3Å
356V96.1Very high89.1Confident0 Ų032.2 Ų32.20%017%0.166CC..EExtended strand (participates in β ladder)trans-133.9133.4179.5175.70000108.9T277 Y278 I284 I297 D299 H301 V302 A350T277-V356 CarbonylContact C-O 3.59Å; T277-V356 WeakPolarHBondContact CA-O 3.42Å; Y278-V356 PolarHBondContact N-O 3.5Å; Y278-V356 PolarHBondContact O-N 3.43Å; I284-V356 HydrophobicContact CD1-CG1 4.46Å; I297-V356 HydrophobicContact CG2-CG1 4.33Å; D299-V356 WeakPolarHBondContact O-CG1 3.26Å; H301-V356 WeakPolarHBondContact O-CG2 3.44Å; V302-V356 HydrophobicContact CG1-CB 4.42Å; V302-V356 HydrophobicContact CG1-CG1 3.71Å; V302-V356 HydrophobicContact CG1-CG2 4.19Å; A350-V356 HydrophobicContact CB-CB 4Å; A350-V356 HydrophobicContact CB-CG2 3.61Å
357T95.5Very high88.4Confident22 Ų2235.6 Ų35.614%0.13518%0.178CC..EExtended strand (participates in β ladder)trans-107.9126.6176-61.40000110.4E275 T277 A298 D299E275-T357 HydrophobicContact CG-CG2 3.46Å; E275-T357 VanDerWaalsContact CG-CG2 3.46Å; T277-T357 PolarHBondContact OG1-OG1 2.77Å; A298-T357 HydrophobicContact CB-CG2 4.33Å; A298-T357 PolarHBondContact N-O 2.9Å; D299-T357 PolarHBondContact N-O 3.05Å; D299-T357 PolarHBondContact O-N 2.67Å
358C95.2Very high87.4Confident0 Ų036.6 Ų36.60%018%0.183CC..EExtended strand (participates in β ladder)trans-118.8143.3177.2-64.30000110.8V276 Y278 Y295 I296V276-C358 PolarHBondContact N-O 3.39Å; V276-C358 PolarHBondContact O-N 3.3Å; Y278-C358 HydrophobicContact CE2-CB 4.3Å; Y295-C358 HydrophobicContact CD1-CB 3.93Å; I296-C358 CarbonylContact O-C 3.45Å; I296-C358 VanDerWaalsContact O-CA 3.3Å; I296-C358 WeakPolarHBondContact O-CA 3.35Å
359L94.1Very high86.3Confident1 Ų136.3 Ų36.31%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-92.4113.4164.4-52.9178.5000107.8Y248 F251 L273 T274 E275 Y295 I296 A298Y248-L359 HydrophobicContact CD1-CD1 3.95Å; Y248-L359 HydrophobicContact CD1-CD2 4.17Å; Y248-L359 HydrophobicContact CE1-CD1 4.2Å; Y248-L359 HydrophobicContact CE1-CD2 3.57Å; F251-L359 HydrophobicContact CD1-CD1 3.54Å; F251-L359 HydrophobicContact CE1-CD1 3.68Å; L273-L359 HydrophobicContact CB-CB 4.25Å; L273-L359 HydrophobicContact CD1-CB 4.1Å; L273-L359 HydrophobicContact CD1-CD1 3.82Å; L273-L359 HydrophobicContact CD2-CB 3.89Å; L273-L359 HydrophobicContact CG-CB 4.28Å; T274-L359 CarbonylContact O-C 3.59Å; T274-L359 WeakPolarHBondContact O-CA 3.47Å; E275-L359 HydrophobicContact CB-CD2 4.16Å; E275-L359 HydrophobicContact CG-CD2 4.21Å; Y295-L359 CarbonylContact C-O 3.56Å; Y295-L359 WeakPolarHBondContact CA-O 3.44Å; I296-L359 HydrophobicContact CB-CB 4.47Å; I296-L359 PolarHBondContact N-O 3.05Å; I296-L359 PolarHBondContact O-N 3.08Å; A298-L359 HydrophobicContact CB-CD1 4.47Å; A298-L359 HydrophobicContact CB-CD2 4.42Å; A298-L359 HydrophobicContact CB-CG 4.07Å
360A92.3Very high85.2Confident3 Ų336.8 Ų36.83%0.02518%0.184CC..EExtended strand (participates in β ladder)trans-95.6138.6-179.600000110.9L273 T274 V276 F294 Y295L273-A360 WeakPolarHBondContact CA-O 3.09Å; T274-A360 PolarHBondContact N-O 2.8Å; T274-A360 PolarHBondContact O-N 3.28Å; T274-A360 PolarHBondContact OG1-O 3.22Å; V276-A360 HydrophobicContact CG2-CB 4.35Å; F294-A360 CarbonylContact O-C 3.58Å; F294-A360 VanDerWaalsContact O-CA 3.31Å; F294-A360 WeakPolarHBondContact O-CA 3.31Å; Y295-A360 HydrophobicContact CD1-CB 3.73Å; Y295-A360 HydrophobicContact CE1-CB 3.61Å
361L88.6Confident83.8Confident1 Ų139.4 Ų39.41%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-125.4129.9175.9-17272.1000108.3L269 Q272 L273 N293 F294 I370L269-L361 HydrophobicContact CD2-CD1 4.43Å; L269-L361 HydrophobicContact CD2-CD2 3.71Å; Q272-L361 HydrophobicContact CB-CD1 3.41Å; Q272-L361 VanDerWaalsContact CB-CD1 3.41Å; L273-L361 HydrophobicContact CD2-CB 4.06Å; L273-L361 HydrophobicContact CD2-CD1 4.26Å; N293-L361 CarbonylContact C-O 3.48Å; N293-L361 WeakPolarHBondContact CA-O 3.45Å; F294-L361 HydrophobicContact CB-CB 4.25Å; F294-L361 HydrophobicContact CD1-CB 4.19Å; F294-L361 HydrophobicContact CD1-CD2 4.41Å; F294-L361 PolarHBondContact N-O 3.45Å; F294-L361 PolarHBondContact O-N 2.89Å; L361-I370 HydrophobicContact CD2-CD1 3.54Å; L361-I370 HydrophobicContact CD2-CG1 4.05Å
362D85.3Confident82.6Confident31 Ų3139.5 Ų39.517%0.16621%0.205CC..  trans-70.2167.1179.371.783.8000112.5D292 E364 S365 Y366D292-D362 CarbonylContact O-C 3.56Å; D362-E364 VanDerWaalsContact C-N 3.34Å; D362-E364 PolarHBondContact O-N 2.98Å; D362-E364 PolarHBondContact OD1-N 2.93Å; D362-S365 PolarHBondContact O-N 3Å; D362-S365 PolarHBondContact OD1-N 3.11Å; D362-S365 PolarHBondContact OD1-OG 3.24Å; D362-S365 WeakPolarHBondContact OD2-CB 3.42Å; D362-S365 PolarHBondContact OD2-OG 2.95Å; D362-Y366 WeakPolarHBondContact O-CB 3.36Å; D362-Y366 PolarHBondContact O-N 3.16Å
363L81Confident81.5Confident20 Ų2039.3 Ų39.311%0.10521%0.205CC..Hα-helixtrans-59.6-42.5-174.6176.764000112.5D292 L338 K367D292-L363 HydrophobicContact CB-CB 4.06Å; D292-L363 WeakPolarHBondContact O-CA 3.17Å; D292-L363 VanDerWaalsContact O-CB 3.27Å; D292-L363 WeakPolarHBondContact O-CB 3.02Å; D292-L363 PolarHBondContact O-N 2.83Å; L338-L363 HydrophobicContact CB-CD1 3.57Å; L338-L363 HydrophobicContact CD1-CD1 4.45Å; L338-L363 HydrophobicContact CD2-CB 4.45Å; L338-L363 HydrophobicContact CD2-CD1 3.46Å; L338-L363 VanDerWaalsContact CD2-CD1 3.46Å; L338-L363 HydrophobicContact CG-CD1 3.95Å; L363-K367 HydrophobicContact CD1-CD 4.46Å; L363-K367 HydrophobicContact CD1-CG 4.48Å; L363-K367 HydrophobicContact CG-CD 4.35Å; L363-K367 VanDerWaalsContact O-CG 3.29Å; L363-K367 WeakPolarHBondContact O-CG 3.36Å; L363-K367 PolarHBondContact O-N 3.35Å
364E77.5Confident79.9Confident84 Ų8435.2 Ų35.239%0.39319%0.193SC..Hα-helixtrans-75.3-41.5-174.5-62.8-52.9131.300110.2D362 Y366 K367 L368D362-E364 VanDerWaalsContact C-N 3.34Å; D362-E364 PolarHBondContact O-N 2.98Å; D362-E364 PolarHBondContact OD1-N 2.93Å; E364-Y366 PolarHBondContact O-N 3.15Å; E364-K367 PolarHBondContact O-N 3.1Å; E364-K367 IonicContact OE1-NZ 2.98Å; E364-K367 PolarHBondContact OE1-NZ 3.2Å; E364-K367 IonicContact OE2-NZ 2.93Å; E364-L368 VanDerWaalsContact O-CB 3.29Å; E364-L368 WeakPolarHBondContact O-CB 3.37Å; E364-L368 PolarHBondContact O-N 2.94Å
365S79.6Confident78.4Confident0 Ų027.5 Ų27.50%016%0.161CC..Hα-helixtrans-61.5-41.5170.9-63.30000112.2Q272 D362 L368 L369 T645Q272-S365 PolarHBondContact OE1-OG 3.27Å; D362-S365 PolarHBondContact O-N 3Å; D362-S365 PolarHBondContact OD1-N 3.11Å; D362-S365 PolarHBondContact OD1-OG 3.24Å; D362-S365 WeakPolarHBondContact OD2-CB 3.42Å; D362-S365 PolarHBondContact OD2-OG 2.95Å; S365-L368 PolarHBondContact O-N 2.84Å; S365-L369 VanDerWaalsContact O-CB 3.28Å; S365-L369 WeakPolarHBondContact O-CB 3.18Å; S365-L369 WeakPolarHBondContact O-CG 3.47Å; S365-L369 PolarHBondContact O-N 2.95Å; S365-T645 PolarHBondContact OG-OG1 3.48Å
366Y80.9Confident76.3Confident23 Ų2327.6 Ų27.69%0.0916%0.16CC..Hα-helixtrans-60.5-47.9174.2173.2-92.3000111.8F294 L338 D362 E364 L368 I370 A371F294-Y366 HydrophobicContact CB-CD2 3.8Å; F294-Y366 HydrophobicContact CB-CE2 4.5Å; F294-Y366 HydrophobicContact CB-CG 4.35Å; F294-Y366 HydrophobicContact CD1-CD2 4.24Å; F294-Y366 AromaticContact CD2-CD2 3.79Å; F294-Y366 HydrophobicContact CD2-CD2 3.79Å; F294-Y366 AromaticContact CD2-CE2 3.67Å; F294-Y366 HydrophobicContact CD2-CE2 3.67Å; F294-Y366 HydrophobicContact CE2-CD2 4.38Å; F294-Y366 AromaticContact CE2-CE2 3.95Å; F294-Y366 HydrophobicContact CE2-CE2 3.95Å; F294-Y366 AromaticContact CG-CD2 3.69Å; F294-Y366 HydrophobicContact CG-CD2 3.69Å; F294-Y366 HydrophobicContact CG-CE2 4.07Å; L338-Y366 HydrophobicContact CB-CD1 3.91Å; L338-Y366 HydrophobicContact CB-CE1 3.92Å; L338-Y366 HydrophobicContact CD1-CD1 3.4Å; L338-Y366 VanDerWaalsContact CD1-CD1 3.4Å; L338-Y366 HydrophobicContact CD1-CD2 3.84Å; L338-Y366 HydrophobicContact CD1-CE1 3.83Å; L338-Y366 HydrophobicContact CD1-CE2 4.24Å; L338-Y366 HydrophobicContact CD1-CG 3.42Å; L338-Y366 VanDerWaalsContact CD1-CG 3.42Å; L338-Y366 HydrophobicContact CG-CD1 4.29Å; D362-Y366 WeakPolarHBondContact O-CB 3.36Å; D362-Y366 PolarHBondContact O-N 3.16Å; E364-Y366 PolarHBondContact O-N 3.15Å; Y366-L368 VanDerWaalsContact C-N 3.28Å; Y366-L368 PolarHBondContact O-N 3.05Å; Y366-I370 HydrophobicContact CD2-CB 3.74Å; Y366-I370 HydrophobicContact CD2-CD1 3.99Å; Y366-I370 HydrophobicContact CD2-CG1 4.24Å; Y366-I370 HydrophobicContact CD2-CG2 4.05Å; Y366-I370 HydrophobicContact CE2-CB 3.79Å; Y366-I370 HydrophobicContact CE2-CD1 4.4Å; Y366-I370 HydrophobicContact CE2-CG2 3.58Å; Y366-I370 HydrophobicContact CG-CB 4.41Å; Y366-I370 CarbonylContact O-C 3.37Å; Y366-I370 WeakPolarHBondContact O-CA 3.38Å; Y366-I370 WeakPolarHBondContact O-CB 3.31Å; Y366-I370 PolarHBondContact O-N 3.4Å; Y366-A371 HydrophobicContact CD1-CB 4.21Å; Y366-A371 HydrophobicContact CE1-CB 3.84Å; Y366-A371 PolarHBondContact O-N 3.4Å
367K78.3Confident73.8Confident83 Ų8332.4 Ų32.436%0.36118%0.181SC..Hα-helixtrans-61-40.3177.8-76.4171.9-173.2162.70111.9L363 E364L363-K367 HydrophobicContact CD1-CD 4.46Å; L363-K367 HydrophobicContact CD1-CG 4.48Å; L363-K367 HydrophobicContact CG-CD 4.35Å; L363-K367 VanDerWaalsContact O-CG 3.29Å; L363-K367 WeakPolarHBondContact O-CG 3.36Å; L363-K367 PolarHBondContact O-N 3.35Å; E364-K367 PolarHBondContact O-N 3.1Å; E364-K367 IonicContact OE1-NZ 2.98Å; E364-K367 PolarHBondContact OE1-NZ 3.2Å; E364-K367 IonicContact OE2-NZ 2.93Å
368L72.8Confident71.9Confident23 Ų2339.1 Ų39.112%0.1220%0.204CC..Hα-helixtrans-70.9-43.7-177.1-176.959.3000112.2E364 S365 Y366 L376 I650E364-L368 VanDerWaalsContact O-CB 3.29Å; E364-L368 WeakPolarHBondContact O-CB 3.37Å; E364-L368 PolarHBondContact O-N 2.94Å; S365-L368 PolarHBondContact O-N 2.84Å; Y366-L368 VanDerWaalsContact C-N 3.28Å; Y366-L368 PolarHBondContact O-N 3.05Å; L368-L376 WeakPolarHBondContact O-CD1 3.49Å; L368-I650 HydrophobicContact CD2-CG2 4.05Å
369L73.1Confident69.8Low5 Ų543.3 Ų43.33%0.02622%0.22CC..Hα-helixtrans-106.8-28.1-165.4-58.2174.3000113.9K268 L269 Q272 S365K268-L369 HydrophobicContact CB-CD1 4.24Å; K268-L369 HydrophobicContact CB-CD2 3.82Å; K268-L369 HydrophobicContact CD-CD2 4.25Å; L269-L369 HydrophobicContact CD2-CB 3.57Å; L269-L369 HydrophobicContact CD2-CD1 3.78Å; L269-L369 HydrophobicContact CD2-CG 4.33Å; L269-L369 HydrophobicContact CG-CB 3.92Å; L269-L369 HydrophobicContact CG-CD1 4.04Å; Q272-L369 HydrophobicContact CG-CD1 4.13Å; S365-L369 VanDerWaalsContact O-CB 3.28Å; S365-L369 WeakPolarHBondContact O-CB 3.18Å; S365-L369 WeakPolarHBondContact O-CG 3.47Å; S365-L369 PolarHBondContact O-N 2.95Å
370I74.5Confident67.4Low16 Ų1645.2 Ų45.28%0.08223%0.227CC..THydrogen-bonded Turntrans-115-45.4-173.1-53.8-169.8000112.6F258 L269 F294 L361 Y366 D372 L373F258-I370 HydrophobicContact CE1-CD1 4.14Å; L269-I370 HydrophobicContact CD1-CG1 4.36Å; L269-I370 HydrophobicContact CD2-CD1 3.74Å; L269-I370 HydrophobicContact CD2-CG1 3.61Å; F294-I370 HydrophobicContact CD1-CD1 4.06Å; F294-I370 HydrophobicContact CE1-CD1 3.78Å; F294-I370 HydrophobicContact CZ-CD1 4.36Å; L361-I370 HydrophobicContact CD2-CD1 3.54Å; L361-I370 HydrophobicContact CD2-CG1 4.05Å; Y366-I370 HydrophobicContact CD2-CB 3.74Å; Y366-I370 HydrophobicContact CD2-CD1 3.99Å; Y366-I370 HydrophobicContact CD2-CG1 4.24Å; Y366-I370 HydrophobicContact CD2-CG2 4.05Å; Y366-I370 HydrophobicContact CE2-CB 3.79Å; Y366-I370 HydrophobicContact CE2-CD1 4.4Å; Y366-I370 HydrophobicContact CE2-CG2 3.58Å; Y366-I370 HydrophobicContact CG-CB 4.41Å; Y366-I370 CarbonylContact O-C 3.37Å; Y366-I370 WeakPolarHBondContact O-CA 3.38Å; Y366-I370 WeakPolarHBondContact O-CB 3.31Å; Y366-I370 PolarHBondContact O-N 3.4Å; I370-D372 PolarHBondContact O-N 3.08Å; I370-L373 HydrophobicContact CG2-CD2 4.48Å; I370-L373 WeakPolarHBondContact O-CD2 3.48Å; I370-L373 VanDerWaalsContact O-CG 3.27Å; I370-L373 WeakPolarHBondContact O-CG 3.49Å; I370-L373 PolarHBondContact O-N 3.05Å
371A67.7Low65.1Low55 Ų5549.3 Ų49.346%0.45526%0.256SS..THydrogen-bonded Turntrans-60.4-19.7-167.100000114.7Y366Y366-A371 HydrophobicContact CD1-CB 4.21Å; Y366-A371 HydrophobicContact CE1-CB 3.84Å; Y366-A371 PolarHBondContact O-N 3.4Å
372D66Low62.9Low56 Ų5656.2 Ų56.230%0.29929%0.288SS..THydrogen-bonded Turntrans-139.369.2174.6-167.9-8.8000111.9I370 A374 A375 L376 K652I370-D372 PolarHBondContact O-N 3.08Å; D372-A374 PolarHBondContact O-N 3.13Å; D372-A374 VanDerWaalsContact O-N 3.12Å; D372-A375 HydrophobicContact CB-CB 4.15Å; D372-A375 PolarHBondContact O-N 3.31Å; D372-A375 VanDerWaalsContact O-N 3.16Å; D372-A375 WeakPolarHBondContact OD1-CB 3.32Å; D372-A375 PolarHBondContact OD1-N 2.96Å; D372-A375 WeakPolarHBondContact OD2-CB 3.34Å; D372-L376 PolarHBondContact O-N 3.12Å; D372-L376 VanDerWaalsContact O-N 3.13Å; D372-K652 IonicContact OD2-NZ 2.77Å; D372-K652 PolarHBondContact OD2-NZ 3.49Å
373L56.7Low61Low57 Ų5758.7 Ų58.730%0.29830%0.299SS..Hα-helixtrans-53.3-30.4177.1-60.3178.6000113L261 I370 K377L261-L373 HydrophobicContact CD1-CD2 3.89Å; L261-L373 HydrophobicContact CD2-CB 4.16Å; L261-L373 HydrophobicContact CD2-CD1 4.01Å; L261-L373 HydrophobicContact CD2-CD2 3.47Å; L261-L373 VanDerWaalsContact CD2-CD2 3.47Å; L261-L373 HydrophobicContact CD2-CG 4.05Å; L261-L373 HydrophobicContact CG-CD2 4.33Å; I370-L373 HydrophobicContact CG2-CD2 4.48Å; I370-L373 WeakPolarHBondContact O-CD2 3.48Å; I370-L373 VanDerWaalsContact O-CG 3.27Å; I370-L373 WeakPolarHBondContact O-CG 3.49Å; I370-L373 PolarHBondContact O-N 3.05Å; L373-K377 PolarHBondContact O-N 2.94Å
374A49.1Very low58.9Low68 Ų6866.5 Ų66.556%0.56233%0.332SS*.Hα-helixtrans-73.4-42.3179.800000112.4D372 L376 R378D372-A374 PolarHBondContact O-N 3.13Å; D372-A374 VanDerWaalsContact O-N 3.12Å; A374-L376 VanDerWaalsContact C-N 3.29Å; A374-L376 PolarHBondContact O-N 3.3Å; A374-R378 PolarHBondContact O-N 3.39Å
375A53.3Low57.3Low24 Ų2467.2 Ų67.220%0.19834%0.344CS..Hα-helixtrans-66.3-33.8173.600000112.1D372 R378 R379 K652D372-A375 HydrophobicContact CB-CB 4.15Å; D372-A375 PolarHBondContact O-N 3.31Å; D372-A375 VanDerWaalsContact O-N 3.16Å; D372-A375 WeakPolarHBondContact OD1-CB 3.32Å; D372-A375 PolarHBondContact OD1-N 2.96Å; D372-A375 WeakPolarHBondContact OD2-CB 3.34Å; A375-R378 WeakPolarHBondContact O-CB 3.47Å; A375-R378 PolarHBondContact O-N 2.74Å; A375-R378 VanDerWaalsContact O-N 3.12Å; A375-R379 PolarHBondContact O-N 3.43Å; A375-R379 VanDerWaalsContact O-N 3.13Å; A375-K652 HydrophobicContact CB-CD 4.31Å
376L44.1Very low55.3Low8 Ų875.1 Ų75.14%0.04238%0.381CS..Hα-helixtrans-67.4-43.6179.6-142.889.9000112.1T265 L368 D372 A374 R378 R379 Y380T265-L376 HydrophobicContact CG2-CD2 3.04Å; T265-L376 WeakPolarHBondContact OG1-CD2 3.48Å; L368-L376 WeakPolarHBondContact O-CD1 3.49Å; D372-L376 PolarHBondContact O-N 3.12Å; D372-L376 VanDerWaalsContact O-N 3.13Å; A374-L376 VanDerWaalsContact C-N 3.29Å; A374-L376 PolarHBondContact O-N 3.3Å; L376-R378 PolarHBondContact O-N 3.3Å; L376-R379 PolarHBondContact O-N 2.88Å; L376-Y380 HydrophobicContact CD2-CE2 4.15Å; L376-Y380 HydrophobicContact CG-CD2 4.45Å; L376-Y380 HydrophobicContact CG-CE2 4.01Å; L376-Y380 WeakPolarHBondContact O-CD2 3.2Å; L376-Y380 PolarHBondContact O-N 2.91Å
377K45.2Very low53.2Low101 Ų10183 Ų8344%0.43942%0.419SS..Hα-helixtrans-54.5-35.9169.3-95.4-177.7177.61760112.1N260 P262 L373 S381N260-K377 VanDerWaalsContact O-CE 3.25Å; N260-K377 WeakPolarHBondContact O-CE 3.08Å; N260-K377 PolarHBondContact O-NZ 3.18Å; P262-K377 HydrophobicContact CG-CG 3.96Å; L373-K377 PolarHBondContact O-N 2.94Å; K377-S381 WeakPolarHBondContact O-CB 3.43Å; K377-S381 PolarHBondContact O-N 3.23Å; K377-S381 PolarHBondContact O-OG 3.23Å
378R54.1Low51.2Low163 Ų16383 Ų8362%0.61543%0.425SS*.Hα-helixtrans-69.1-39.8179.9-137.8-178.1-77.3178.7-3.6112.4A374 A375 L376 Y380 S381 Q382A374-R378 PolarHBondContact O-N 3.39Å; A375-R378 WeakPolarHBondContact O-CB 3.47Å; A375-R378 PolarHBondContact O-N 2.74Å; A375-R378 VanDerWaalsContact O-N 3.12Å; L376-R378 PolarHBondContact O-N 3.3Å; R378-Y380 PolarHBondContact O-N 2.72Å; R378-S381 PolarHBondContact O-N 2.93Å; R378-Q382 HydrophobicContact CG-CG 4.33Å; R378-Q382 WeakPolarHBondContact O-CB 3.48Å; R378-Q382 WeakPolarHBondContact O-CG 3.29Å; R378-Q382 PolarHBondContact O-N 3.31Å
379R51Low49.7Very low87 Ų8788.9 Ų88.933%0.32846%0.462SS..Hα-helixtrans-59.2-43.7174.6-68.8-162.9-148-176.115.4112.7A375 L376 G651 K652A375-R379 PolarHBondContact O-N 3.43Å; A375-R379 VanDerWaalsContact O-N 3.13Å; L376-R379 PolarHBondContact O-N 2.88Å; R379-G651 PolarHBondContact NH1-O 3.1Å; R379-G651 PolarHBondContact NH2-O 2.82Å; R379-K652 PolarHBondContact NE-O 3.28Å; R379-K652 VanDerWaalsContact NH2-CA 3.35Å; R379-K652 VanDerWaalsContact NH2-CG 3.33Å; R379-K652 VanDerWaalsContact NH2-N 3.12Å
380Y43.6Very low48.6Very low41 Ų4192.5 Ų92.516%0.16148%0.481CS..Hα-helixtrans-85.3-21.8-176.4-65.7-70.1000113.8P262 S264 T265 L376 R378 Y556P262-Y380 HydrophobicContact CB-CD2 4.32Å; P262-Y380 HydrophobicContact CG-CD2 4.29Å; S264-Y380 VanDerWaalsContact CB-CE1 3.46Å; S264-Y380 WeakPolarHBondContact OG-CD1 3.34Å; S264-Y380 WeakPolarHBondContact OG-CD2 3.44Å; S264-Y380 WeakPolarHBondContact OG-CE1 3.49Å; S264-Y380 WeakPolarHBondContact OG-CE2 3.28Å; T265-Y380 WeakPolarHBondContact OG1-CE2 3.4Å; L376-Y380 HydrophobicContact CD2-CE2 4.15Å; L376-Y380 HydrophobicContact CG-CD2 4.45Å; L376-Y380 HydrophobicContact CG-CE2 4.01Å; L376-Y380 WeakPolarHBondContact O-CD2 3.2Å; L376-Y380 PolarHBondContact O-N 2.91Å; R378-Y380 PolarHBondContact O-N 2.72Å; Y380-Y556 AromaticContact CD1-CD1 3.75Å; Y380-Y556 HydrophobicContact CD1-CD1 3.75Å; Y380-Y556 HydrophobicContact CD1-CE1 4.37Å; Y380-Y556 AromaticContact CD1-CG 3.97Å; Y380-Y556 HydrophobicContact CD1-CG 3.97Å; Y380-Y556 AromaticContact CE1-CD1 3.68Å; Y380-Y556 HydrophobicContact CE1-CD1 3.68Å; Y380-Y556 HydrophobicContact CE1-CG 4.1Å
381S44.2Very low47.6Very low90 Ų9097.8 Ų97.863%0.62951%0.505SS*.Hα-helixtrans-89.2-18.1-179.6-54.90000113.8K377 R378K377-S381 WeakPolarHBondContact O-CB 3.43Å; K377-S381 PolarHBondContact O-N 3.23Å; K377-S381 PolarHBondContact O-OG 3.23Å; R378-S381 PolarHBondContact O-N 2.93Å
382Q43.2Very low47.6Very low146 Ų146101 Ų10168%0.68251%0.511SS*.SBendtrans-88.3-10.3-173.7-76.1-171.7-17.300115.2R378R378-Q382 HydrophobicContact CG-CG 4.33Å; R378-Q382 WeakPolarHBondContact O-CB 3.48Å; R378-Q382 WeakPolarHBondContact O-CG 3.29Å; R378-Q382 PolarHBondContact O-N 3.31Å
383E44.5Very low48.1Very low83 Ų8399.8 Ų99.839%0.38850%0.502SS..  trans-137.472175.6-67.1-175177.200109.6Y556E383-Y556 PolarHBondContact O-OH 3.28Å
384K38.1Very low49.3Very low183 Ų183101.6 Ų101.680%0.79651%0.508SS*.  trans-59.8130.4146.8-89.3-175.6174.8-176.20105.3Q386K384-Q386 VanDerWaalsContact C-N 3.34Å; K384-Q386 PolarHBondContact O-N 3.26Å
385P42.7Very low50.9Low100 Ų100103 Ų10365%0.64951%0.511SS*.  trans-54110.4171.421.5-28.7000105.5E387P385-E387 VanDerWaalsContact C-N 3.31Å; P385-E387 PolarHBondContact O-N 3.44Å
386Q38.3Very low52.4Low165 Ų165107.6 Ų107.677%0.77153%0.529SS*.  trans-59.3111.7164.4-122.8175.7-6.400102.5K384 T388K384-Q386 VanDerWaalsContact C-N 3.34Å; K384-Q386 PolarHBondContact O-N 3.26Å; Q386-T388 PolarHBondContact O-N 2.99Å; Q386-T388 PolarHBondContact O-OG1 3.27Å
387E37.6Very low54.5Low190 Ų190107.5 Ų107.589%0.88853%0.528SS*.  trans-63.268.2158.4-73.9176.9169.900106.2P385 T389P385-E387 VanDerWaalsContact C-N 3.31Å; P385-E387 PolarHBondContact O-N 3.44Å; E387-T389 PolarHBondContact O-N 3.05Å; E387-T389 VanDerWaalsContact O-N 3.1Å
388T36.4Very low56.5Low81 Ų81108.4 Ų108.450%0.49753%0.532SS..  trans-60.3113.9155.930.60000103.9Q386 I390Q386-T388 PolarHBondContact O-N 2.99Å; Q386-T388 PolarHBondContact O-OG1 3.27Å; T388-I390 PolarHBondContact O-N 3.31Å
389T40.5Very low58.2Low147 Ų147107.3 Ų107.390%0.90254%0.538SS*.  trans-61.577.2158.2-6.10000105.3E387 E391E387-T389 PolarHBondContact O-N 3.05Å; E387-T389 VanDerWaalsContact O-N 3.1Å; T389-E391 PolarHBondContact O-N 3.42Å
390I50.5Low60.2Low82 Ų82104 Ų10442%0.42153%0.527SS..  trans-65.8119.6172.8-61.5176.1000103.2T388 E392T388-I390 PolarHBondContact O-N 3.31Å; I390-E392 PolarHBondContact O-N 2.97Å
391E53.1Low62.6Low127 Ų127108 Ų10859%0.59355%0.545SS*.  trans-49.4113.1164-72.8-166.8130.200106.3T389 Y393T389-E391 PolarHBondContact O-N 3.42Å; E391-Y393 PolarHBondContact O-N 2.92Å
392E67.5Low65Low122 Ų122106 Ų10657%0.5753%0.527SS*.SBendtrans-48.4-29.9-166.2-79.9-174.6132.100113I390 R455I390-E392 PolarHBondContact O-N 2.97Å; E392-R455 IonicContact OE1-NH2 3.29Å; E392-R455 PolarHBondContact OE1-NH2 3.3Å
393Y77.1Confident67.4Low31 Ų31106.5 Ų106.512%0.12253%0.53CS..SBendtrans-133.6143.9179.6-52.1-64.5000110.4E391 L459 C470 K471 T472E391-Y393 PolarHBondContact O-N 2.92Å; Y393-L459 HydrophobicContact CD1-CD2 4.34Å; Y393-L459 HydrophobicContact CE1-CD2 3.72Å; Y393-C470 VanDerWaalsContact CD1-O 3.29Å; Y393-C470 WeakPolarHBondContact CD1-O 3.5Å; Y393-K471 HydrophobicContact CD1-CB 4.16Å; Y393-K471 HydrophobicContact CD1-CG 3.82Å; Y393-K471 HydrophobicContact CD2-CG 4.44Å; Y393-K471 HydrophobicContact CE1-CB 4.24Å; Y393-K471 HydrophobicContact CE1-CG 3.81Å; Y393-K471 HydrophobicContact CE2-CG 4.44Å; Y393-K471 HydrophobicContact CG-CG 4.14Å; Y393-T472 PolarHBondContact OH-OG1 2.9Å; Y393-T472 VanDerWaalsContact OH-OG1 3.06Å
394K80.8Confident69.7Low94 Ų94105.5 Ų105.541%0.40953%0.527SS..  trans-52.9147167.1-67.6-175.4178.7-179.60109.8E396 F397 K398K394-E396 HydrophobicContact CB-CG 4.04Å; K394-E396 PolarHBondContact O-N 3.41Å; K394-F397 HydrophobicContact CB-CD2 3.99Å; K394-F397 HydrophobicContact CB-CE2 4.33Å; K394-F397 HydrophobicContact CD-CE2 4.44Å; K394-F397 PolarHBondContact O-N 3.34Å; K394-K398 PolarHBondContact O-N 3.47Å
395P82.2Confident72.4Confident98 Ų9897.8 Ų97.864%0.63649%0.494SS*.Hα-helixtrans-51.5-32.8-177-29.234.4000114.3F397 K398P395-F397 VanDerWaalsContact C-N 3.31Å; P395-F397 PolarHBondContact O-N 2.85Å; P395-K398 PolarHBondContact O-N 2.9Å
396E84.9Confident74.9Confident121 Ų12199.2 Ų99.257%0.56549%0.49SS*.Hα-helixtrans-65.2-26.2178.567.1-168.2172.500114.6K394K394-E396 HydrophobicContact CB-CG 4.04Å; K394-E396 PolarHBondContact O-N 3.41Å
397F90.1Very high77.4Confident6 Ų695.9 Ų95.93%0.02648%0.476CS..Hα-helixtrans-102.9-12180-55.1-62.1000113.2K394 P395 N399 L400 I424 Y432 C470 K471 L482K394-F397 HydrophobicContact CB-CD2 3.99Å; K394-F397 HydrophobicContact CB-CE2 4.33Å; K394-F397 HydrophobicContact CD-CE2 4.44Å; K394-F397 PolarHBondContact O-N 3.34Å; P395-F397 VanDerWaalsContact C-N 3.31Å; P395-F397 PolarHBondContact O-N 2.85Å; F397-N399 VanDerWaalsContact C-N 3.31Å; F397-N399 PolarHBondContact O-N 2.9Å; F397-L400 HydrophobicContact CD1-CD2 4.11Å; F397-L400 WeakPolarHBondContact O-CB 3.34Å; F397-L400 PolarHBondContact O-N 3.45Å; F397-L400 VanDerWaalsContact O-N 3.17Å; F397-I424 HydrophobicContact CD1-CD1 4.46Å; F397-I424 HydrophobicContact CE1-CD1 4.12Å; F397-Y432 AromaticContact CE1-CE1 3.76Å; F397-Y432 HydrophobicContact CE1-CE1 3.76Å; F397-Y432 AromaticContact CE1-CZ 3.7Å; F397-Y432 AromaticContact CZ-CE1 3.72Å; F397-Y432 HydrophobicContact CZ-CE1 3.72Å; F397-Y432 AromaticContact CZ-CZ 3.95Å; F397-C470 HydrophobicContact CD1-CB 4.23Å; F397-C470 HydrophobicContact CD2-CB 3.89Å; F397-C470 HydrophobicContact CE1-CB 4.05Å; F397-C470 HydrophobicContact CE2-CB 3.71Å; F397-C470 HydrophobicContact CG-CB 4.17Å; F397-C470 HydrophobicContact CZ-CB 3.8Å; F397-K471 HydrophobicContact CB-CB 4.35Å; F397-K471 WeakPolarHBondContact O-CD 3.48Å; F397-K471 WeakPolarHBondContact O-CE 3.18Å; F397-K471 PolarHBondContact O-NZ 3.28Å; F397-L482 HydrophobicContact CD1-CD2 4.42Å
398K86.9Confident80Confident120 Ų12089.8 Ų89.852%0.52245%0.449SS..Hα-helixtrans-54.4-44.7-172.7-169.6171-174.8168.40112.9K394 P395 K471K394-K398 PolarHBondContact O-N 3.47Å; P395-K398 PolarHBondContact O-N 2.9Å; K398-K471 PolarHBondContact O-NZ 2.85Å
399N89.9Confident82.5Confident140 Ų14087.3 Ų87.375%0.74944%0.435SS*.THydrogen-bonded Turntrans-98.93.6-177.4-62.8-33000114.5F397F397-N399 VanDerWaalsContact C-N 3.31Å; F397-N399 PolarHBondContact O-N 2.9Å
400L92.8Very high84.9Confident18 Ų1881.5 Ų81.59%0.09440%0.399CS..  trans-68.1133.4179.4-175.566.1000110F397 D404 L405 I424 K471 F473 L482F397-L400 HydrophobicContact CD1-CD2 4.11Å; F397-L400 WeakPolarHBondContact O-CB 3.34Å; F397-L400 PolarHBondContact O-N 3.45Å; F397-L400 VanDerWaalsContact O-N 3.17Å; L400-D404 HydrophobicContact CD1-CB 3.72Å; L400-L405 HydrophobicContact CD2-CD2 4.12Å; L400-I424 HydrophobicContact CD1-CD1 4.39Å; L400-I424 HydrophobicContact CD1-CG1 4.34Å; L400-I424 HydrophobicContact CD1-CG2 3.78Å; L400-I424 HydrophobicContact CD2-CD1 3.89Å; L400-I424 HydrophobicContact CD2-CG1 4.26Å; L400-K471 HydrophobicContact CB-CD 4.33Å; L400-K471 VanDerWaalsContact O-CE 3.23Å; L400-K471 WeakPolarHBondContact O-CE 3.48Å; L400-F473 HydrophobicContact CD2-CZ 4.21Å; L400-F473 HydrophobicContact CG-CZ 4.26Å; L400-F473 WeakPolarHBondContact O-CE1 3.37Å; L400-L482 HydrophobicContact CD2-CD2 3.65Å
401K94.2Very high86.8Confident124 Ų12478.1 Ų78.154%0.53938%0.382SS..  trans-109.6156.5175.3-59.7-178.8178.5-177.30110.6Q403 D404K401-Q403 HydrophobicContact CB-CG 3.83Å; K401-Q403 PolarHBondContact O-N 3.13Å; K401-D404 WeakPolarHBondContact CB-OD2 3.41Å; K401-D404 PolarHBondContact N-OD2 3.33Å; K401-D404 VanDerWaalsContact O-CB 3.31Å; K401-D404 WeakPolarHBondContact O-CB 3.41Å; K401-D404 PolarHBondContact O-N 3.41Å
402L94Very high88.4Confident49 Ų4972.6 Ų72.626%0.25736%0.359SS..G310 helixtrans-55.9-40.3178.7-173.866.7000112.2D404 L405 L434 F473 Y480L402-D404 PolarHBondContact O-N 3.22Å; L402-L405 HydrophobicContact CD1-CD1 4.25Å; L402-L405 WeakPolarHBondContact O-CB 3.43Å; L402-L405 PolarHBondContact O-N 3.41Å; L402-L434 HydrophobicContact CD1-CD2 4.35Å; L402-F473 HydrophobicContact CB-CB 4.41Å; L402-F473 HydrophobicContact CB-CD1 4.08Å; L402-F473 HydrophobicContact CB-CG 4.23Å; L402-F473 HydrophobicContact CD1-CB 4.19Å; L402-F473 HydrophobicContact CD1-CD2 3.99Å; L402-F473 HydrophobicContact CD1-CG 4.05Å; L402-Y480 HydrophobicContact CD1-CD1 4.03Å; L402-Y480 HydrophobicContact CD1-CD2 4.21Å; L402-Y480 HydrophobicContact CD1-CE1 4.18Å; L402-Y480 HydrophobicContact CD1-CE2 4.38Å; L402-Y480 HydrophobicContact CD1-CG 4.04Å; L402-Y480 HydrophobicContact CD2-CD2 4.1Å; L402-Y480 HydrophobicContact CD2-CE1 4.38Å; L402-Y480 HydrophobicContact CD2-CE2 3.61Å
403Q93.9Very high89Confident156 Ų15669.6 Ų69.673%0.72935%0.352SS*.G310 helixtrans-63.1-17.3176.661.4174.525.700114.8K401 L405K401-Q403 HydrophobicContact CB-CG 3.83Å; K401-Q403 PolarHBondContact O-N 3.13Å; Q403-L405 VanDerWaalsContact C-N 3.26Å
404D93.3Very high88.7Confident61 Ų6170.6 Ų70.633%0.32637%0.372SS..G310 helixtrans-82.8-9.7177.6-53.6-36000111.2L400 K401 L402 G425L400-D404 HydrophobicContact CD1-CB 3.72Å; K401-D404 WeakPolarHBondContact CB-OD2 3.41Å; K401-D404 PolarHBondContact N-OD2 3.33Å; K401-D404 VanDerWaalsContact O-CB 3.31Å; K401-D404 WeakPolarHBondContact O-CB 3.41Å; K401-D404 PolarHBondContact O-N 3.41Å; L402-D404 PolarHBondContact O-N 3.22Å; D404-G425 PolarHBondContact O-N 3.46Å
405L94.7Very high88.1Confident21 Ų2169.3 Ų69.311%0.1139%0.385CS..EExtended strand (participates in β ladder)trans-88.2128177.2-59.5-178.6000110.5L400 L402 Q403 V422 S423 I424 L434 F473 L482L400-L405 HydrophobicContact CD2-CD2 4.12Å; L402-L405 HydrophobicContact CD1-CD1 4.25Å; L402-L405 WeakPolarHBondContact O-CB 3.43Å; L402-L405 PolarHBondContact O-N 3.41Å; Q403-L405 VanDerWaalsContact C-N 3.26Å; L405-V422 HydrophobicContact CB-CB 4.32Å; L405-V422 HydrophobicContact CD1-CG2 4.36Å; L405-V422 HydrophobicContact CD2-CG2 4.17Å; L405-S423 WeakPolarHBondContact CA-O 3.21Å; L405-I424 HydrophobicContact CD2-CG1 4Å; L405-L434 HydrophobicContact CD1-CD1 3.95Å; L405-L434 HydrophobicContact CD1-CD2 4.1Å; L405-F473 HydrophobicContact CD1-CE2 3.73Å; L405-F473 HydrophobicContact CD1-CZ 4.04Å; L405-L482 HydrophobicContact CD1-CD1 3.99Å; L405-L482 HydrophobicContact CD2-CD1 4.26Å
406K93.8Very high87.5Confident131 Ų13167.8 Ų67.857%0.5737%0.368SS*.EExtended strand (participates in β ladder)trans-106.4115173.4-174.9175.4-179173.40110.3V422 S423K406-V422 VanDerWaalsContact O-CA 3.31Å; K406-V422 WeakPolarHBondContact O-CA 3.28Å; K406-S423 PolarHBondContact N-O 3.31Å; K406-S423 PolarHBondContact O-N 2.94Å
407I92.2Very high87.4Confident94 Ų9462.7 Ų62.748%0.48235%0.349SS..EExtended strand (participates in β ladder)trans-62.7132.6173.5-57.8167.4000109.4E420 V422I407-E420 WeakPolarHBondContact CD1-OE2 3.46Å; I407-E420 WeakPolarHBondContact CG1-OE2 3.43Å; I407-E420 HydrophobicContact CG2-CB 4.34Å; I407-E420 HydrophobicContact CG2-CG 4.44Å; I407-V422 HydrophobicContact CG1-CG1 4.25Å
408M90.5Very high87.4Confident62 Ų6264.1 Ų64.131%0.30535%0.354SS..EExtended strand (participates in β ladder)trans-111.8-42.2179.1-60.1-175.56200111.6L421 T431M408-L421 HydrophobicContact CB-CB 4.41Å; M408-L421 HydrophobicContact CB-CD2 4.19Å; M408-L421 HydrophobicContact CB-CG 4.39Å; M408-L421 WeakPolarHBondContact CB-O 3.44Å; M408-L421 PolarHBondContact N-O 3.31Å; M408-L421 HydrophobicContact SD-CD2 4.27Å; M408-T431 HydrophobicContact SD-CG2 3.88Å
409S90.1Very high87.7Confident29 Ų2960.4 Ų60.420%0.20334%0.341CS..EExtended strand (participates in β ladder)trans-168.4164.7-175.359.10000111.4E420 L421 L691S409-E420 CarbonylContact O-C 3.48Å; S409-E420 WeakPolarHBondContact O-CA 3.4Å; S409-L421 PolarHBondContact O-N 3.13Å; S409-L421 VanDerWaalsContact OG-CB 3.29Å; S409-L421 WeakPolarHBondContact OG-CB 3.39Å; S409-L691 WeakPolarHBondContact OG-CD1 3.26Å
410T90.5Very high87.9Confident26 Ų2654.6 Ų54.616%0.1631%0.31CS..EExtended strand (participates in β ladder)trans-89128169.6-53.50000109.9Y697T410-Y697 HydrophobicContact CG2-CD2 4.21Å; T410-Y697 HydrophobicContact CG2-CG 4.1Å
411L90.3Very high88Confident10 Ų1053.8 Ų53.85%0.05231%0.305CS..EExtended strand (participates in β ladder)trans-91.8-29.8175.9-64176.3000112.4V419 L421 A433 V485 L691 F694 Y697L411-V419 HydrophobicContact CB-CB 4.37Å; L411-V419 HydrophobicContact CB-CG1 4.2Å; L411-V419 HydrophobicContact CD1-CG1 4.17Å; L411-V419 PolarHBondContact N-O 2.69Å; L411-L421 HydrophobicContact CD1-CB 4.1Å; L411-L421 HydrophobicContact CD1-CD1 4.22Å; L411-L421 HydrophobicContact CD2-CB 3.99Å; L411-L421 HydrophobicContact CD2-CD1 4.48Å; L411-L421 HydrophobicContact CG-CB 3.95Å; L411-A433 HydrophobicContact CD1-CB 3.9Å; L411-V485 HydrophobicContact CD1-CG2 4.11Å; L411-L691 HydrophobicContact CD2-CD2 3.36Å; L411-F694 HydrophobicContact CB-CD1 4.19Å; L411-F694 HydrophobicContact CB-CE1 4.18Å; L411-F694 HydrophobicContact CD2-CD1 4.05Å; L411-F694 HydrophobicContact CD2-CD2 4.3Å; L411-F694 HydrophobicContact CD2-CE1 3.97Å; L411-F694 HydrophobicContact CD2-CE2 4.24Å; L411-F694 HydrophobicContact CD2-CG 4.21Å; L411-F694 HydrophobicContact CD2-CZ 4.07Å; L411-F694 WeakPolarHBondContact O-CD1 3.45Å; L411-Y697 WeakPolarHBondContact O-CE2 3.35Å
412G86.2Confident88.1Confident11 Ų1147.9 Ų47.911%0.11328%0.28CS..EExtended strand (participates in β ladder)trans-169.3157.6-175.300000113R418 V419G412-R418 WeakPolarHBondContact O-CA 3.27Å; G412-V419 PolarHBondContact N-O 3.22Å; G412-V419 PolarHBondContact O-N 3.27Å
413S81.2Confident88.1Confident60 Ų6045.7 Ų45.742%0.4227%0.268SS..EExtended strand (participates in β ladder)trans-128.7128.1170.4-169.30000108.9
414G71.2Confident87.9Confident52 Ų5240.3 Ų40.354%0.53624%0.244SC..EExtended strand (participates in β ladder)trans-125.2-175.7179.700000112.2F416 G417G414-F416 VanDerWaalsContact C-N 3.35Å; G414-F416 PolarHBondContact O-N 3.44Å; G414-G417 PolarHBondContact N-O 2.66Å; G414-G417 PolarHBondContact O-N 3.16Å
415G66.8Low87.6Confident67 Ų6739.2 Ų39.269%0.69125%0.247SC*.THydrogen-bonded Turntrans-59.4-40.7-175.900000113.9H441G415-H441 PolarHBondContact O-CD2 2.89Å; G415-H441 PolarHBondContact O-NE2 3.01Å
416F70.4Confident86.9Confident65 Ų6543.9 Ų43.929%0.28528%0.281SS..THydrogen-bonded Turntrans-94.1-8.8-175.9-59.3-73.2000115.1G414 M437 R438 H441 I442 Q447G414-F416 VanDerWaalsContact C-N 3.35Å; G414-F416 PolarHBondContact O-N 3.44Å; F416-M437 HydrophobicContact CB-CG 4.36Å; F416-M437 WeakPolarHBondContact O-CA 3.43Å; F416-R438 PolarHBondContact O-N 3.29Å; F416-R438 VanDerWaalsContact O-N 3.17Å; F416-H441 AromaticContact CD1-CD2 3.71Å; F416-I442 HydrophobicContact CD1-CG1 4.44Å; F416-Q447 HydrophobicContact CE1-CB 4.06Å; F416-Q447 HydrophobicContact CE1-CG 3.66Å; F416-Q447 HydrophobicContact CZ-CB 4.32Å; F416-Q447 HydrophobicContact CZ-CG 3.78Å
417G81.8Confident86.3Confident15 Ų1540.6 Ų40.616%0.15527%0.27CS..EExtended strand (participates in β ladder)trans160.3-153.6-174.700000114.5G414 K436G414-G417 PolarHBondContact N-O 2.66Å; G414-G417 PolarHBondContact O-N 3.16Å; G417-K436 CarbonylContact C-O 3.57Å; G417-K436 VanDerWaalsContact CA-O 3.3Å; G417-K436 WeakPolarHBondContact CA-O 3.33Å
418R90.6Very high85.7Confident35 Ų3542.8 Ų42.813%0.13228%0.276CS..EExtended strand (participates in β ladder)trans-125.7157.2-172.6-67.1-177.8-160.9-134.41.6112.1G412 K435 K436 P698 E700G412-R418 WeakPolarHBondContact O-CA 3.27Å; R418-K435 CarbonylContact O-C 3.52Å; R418-K435 WeakPolarHBondContact O-CA 3.36Å; R418-K436 PolarHBondContact N-O 2.89Å; R418-K436 PolarHBondContact O-N 3.26Å; R418-P698 PolarHBondContact NH1-O 3.23Å; R418-E700 IonicContact CZ-OE1 3.67Å; R418-E700 VanDerWaalsContact CZ-OE1 3.31Å; R418-E700 IonicContact NE-OE1 3.64Å; R418-E700 PolarHBondContact NE-OE1 3.4Å; R418-E700 IonicContact NE-OE2 2.7Å; R418-E700 VanDerWaalsContact NH2-CB 3.3Å; R418-E700 IonicContact NH2-OE1 3.16Å; R418-E700 PolarHBondContact NH2-OE1 2.82Å
419V93.5Very high85.4Confident42 Ų4244.5 Ų44.526%0.25529%0.29SS..EExtended strand (participates in β ladder)trans-114.3123171.5-173.40000107.9L411 G412 A433 L434 K435L411-V419 HydrophobicContact CB-CB 4.37Å; L411-V419 HydrophobicContact CB-CG1 4.2Å; L411-V419 HydrophobicContact CD1-CG1 4.17Å; L411-V419 PolarHBondContact N-O 2.69Å; G412-V419 PolarHBondContact N-O 3.22Å; G412-V419 PolarHBondContact O-N 3.27Å; V419-A433 HydrophobicContact CG1-CB 3.86Å; V419-L434 WeakPolarHBondContact CA-O 3.47Å; V419-K435 HydrophobicContact CG2-CB 4.27Å; V419-K435 HydrophobicContact CG2-CG 4.16Å
420E94.3Very high85.3Confident19 Ų1948.4 Ų48.49%0.08930%0.304CS..EExtended strand (participates in β ladder)trans-112.9140.5-178.2-66.1176.316400110.7I407 S409 V422 A433 L434I407-E420 WeakPolarHBondContact CD1-OE2 3.46Å; I407-E420 WeakPolarHBondContact CG1-OE2 3.43Å; I407-E420 HydrophobicContact CG2-CB 4.34Å; I407-E420 HydrophobicContact CG2-CG 4.44Å; S409-E420 CarbonylContact O-C 3.48Å; S409-E420 WeakPolarHBondContact O-CA 3.4Å; E420-V422 HydrophobicContact CB-CG1 4.39Å; E420-A433 CarbonylContact O-C 3.55Å; E420-A433 WeakPolarHBondContact O-CA 3.4Å; E420-L434 PolarHBondContact N-O 2.88Å; E420-L434 PolarHBondContact O-N 2.94Å
421L95Very high85.5Confident1 Ų147.7 Ų47.71%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-75.9124.3166-17372.9000108.1M408 S409 L411 Y432 V485 L487 L691M408-L421 HydrophobicContact CB-CB 4.41Å; M408-L421 HydrophobicContact CB-CD2 4.19Å; M408-L421 HydrophobicContact CB-CG 4.39Å; M408-L421 WeakPolarHBondContact CB-O 3.44Å; M408-L421 PolarHBondContact N-O 3.31Å; M408-L421 HydrophobicContact SD-CD2 4.27Å; S409-L421 PolarHBondContact O-N 3.13Å; S409-L421 VanDerWaalsContact OG-CB 3.29Å; S409-L421 WeakPolarHBondContact OG-CB 3.39Å; L411-L421 HydrophobicContact CD1-CB 4.1Å; L411-L421 HydrophobicContact CD1-CD1 4.22Å; L411-L421 HydrophobicContact CD2-CB 3.99Å; L411-L421 HydrophobicContact CD2-CD1 4.48Å; L411-L421 HydrophobicContact CG-CB 3.95Å; L421-Y432 WeakPolarHBondContact CA-O 3.29Å; L421-V485 HydrophobicContact CD1-CB 4.39Å; L421-V485 HydrophobicContact CD1-CG2 3.73Å; L421-L487 HydrophobicContact CD1-CD2 4.35Å; L421-L691 HydrophobicContact CD2-CD2 4.11Å
422V95.5Very high85.7Confident0 Ų048.7 Ų48.70%030%0.303CS..EExtended strand (participates in β ladder)trans-124.8153.1178.3-59.10000111.3L405 K406 I407 E420 T431 Y432 L434 L482L405-V422 HydrophobicContact CB-CB 4.32Å; L405-V422 HydrophobicContact CD1-CG2 4.36Å; L405-V422 HydrophobicContact CD2-CG2 4.17Å; K406-V422 VanDerWaalsContact O-CA 3.31Å; K406-V422 WeakPolarHBondContact O-CA 3.28Å; I407-V422 HydrophobicContact CG1-CG1 4.25Å; E420-V422 HydrophobicContact CB-CG1 4.39Å; V422-T431 CarbonylContact O-C 3.51Å; V422-T431 WeakPolarHBondContact O-CA 3.35Å; V422-Y432 PolarHBondContact N-O 2.95Å; V422-Y432 PolarHBondContact O-N 3.04Å; V422-L434 HydrophobicContact CG1-CB 3.71Å; V422-L434 HydrophobicContact CG1-CD2 3.95Å; V422-L434 HydrophobicContact CG1-CG 4.47Å; V422-L434 HydrophobicContact CG2-CB 4.08Å; V422-L482 HydrophobicContact CG2-CD1 3.73Å
423S94.7Very high86.2Confident2 Ų248.6 Ų48.61%0.01430%0.301CS..EExtended strand (participates in β ladder)trans-115.3149.5168.253.50000110.6L405 K406 G425 K430L405-S423 WeakPolarHBondContact CA-O 3.21Å; K406-S423 PolarHBondContact N-O 3.31Å; K406-S423 PolarHBondContact O-N 2.94Å; S423-G425 PolarHBondContact O-N 3.25Å; S423-K430 WeakPolarHBondContact CA-O 3.18Å
424I90.1Very high86.9Confident43 Ų4346 Ų4622%0.22128%0.282CS..EExtended strand (participates in β ladder)trans-83.1113.8173.7-62.2178000108.9F397 L400 L405 S426 D427 K430 Y432F397-I424 HydrophobicContact CD1-CD1 4.46Å; F397-I424 HydrophobicContact CE1-CD1 4.12Å; L400-I424 HydrophobicContact CD1-CD1 4.39Å; L400-I424 HydrophobicContact CD1-CG1 4.34Å; L400-I424 HydrophobicContact CD1-CG2 3.78Å; L400-I424 HydrophobicContact CD2-CD1 3.89Å; L400-I424 HydrophobicContact CD2-CG1 4.26Å; L405-I424 HydrophobicContact CD2-CG1 4Å; I424-S426 PolarHBondContact O-N 3Å; I424-D427 PolarHBondContact O-N 3.5Å; I424-K430 PolarHBondContact N-O 3.35Å; I424-Y432 HydrophobicContact CD1-CD2 3.98Å; I424-Y432 HydrophobicContact CD1-CE2 3.31Å; I424-Y432 HydrophobicContact CG1-CD2 3.95Å; I424-Y432 HydrophobicContact CG1-CE2 3.68Å
425G85.3Confident88Confident38 Ų3845 Ų4539%0.39226%0.263SS..THydrogen-bonded Turntrans62.9-129.1-177.600000112.4D404 S423D404-G425 PolarHBondContact O-N 3.46Å; S423-G425 PolarHBondContact O-N 3.25Å
426S80Confident89.3Confident119 Ų11943.4 Ų43.483%0.83224%0.237SC*.THydrogen-bonded Turntrans-101-0.2178.333.10000113.4I424 K428I424-S426 PolarHBondContact O-N 3Å; S426-K428 PolarHBondContact O-N 3.44Å; S426-K428 VanDerWaalsContact O-N 3.17Å
427D82.4Confident90.5Very high63 Ų6340.4 Ų40.434%0.33722%0.224SC..EExtended strand (participates in β ladder)trans-81.695.1179.7-174-0.3000111I424 T429 K430I424-D427 PolarHBondContact O-N 3.5Å; D427-T429 VanDerWaalsContact CG-OG1 3.3Å; D427-T429 PolarHBondContact O-N 2.9Å; D427-T429 VanDerWaalsContact O-N 3.14Å; D427-T429 VanDerWaalsContact OD1-CB 3.31Å; D427-T429 WeakPolarHBondContact OD1-CB 3.46Å; D427-T429 PolarHBondContact OD1-N 3.28Å; D427-T429 PolarHBondContact OD1-OG1 2.96Å; D427-T429 PolarHBondContact OD2-OG1 3.43Å; D427-K430 PolarHBondContact O-N 3.46Å
428K79.9Confident91Very high140 Ų14042.4 Ų42.461%0.60923%0.227SC*.EExtended strand (participates in β ladder)trans-68.4-4.6177-63.9-173.5178.3-174.90114S426S426-K428 PolarHBondContact O-N 3.44Å; S426-K428 VanDerWaalsContact O-N 3.17Å
429T83.7Confident91.2Very high98 Ų9841 Ų4160%0.60122%0.221SC*.EExtended strand (participates in β ladder)trans-86.1-13.5177.573.30000112.9D427D427-T429 VanDerWaalsContact CG-OG1 3.3Å; D427-T429 PolarHBondContact O-N 2.9Å; D427-T429 VanDerWaalsContact O-N 3.14Å; D427-T429 VanDerWaalsContact OD1-CB 3.31Å; D427-T429 WeakPolarHBondContact OD1-CB 3.46Å; D427-T429 PolarHBondContact OD1-N 3.28Å; D427-T429 PolarHBondContact OD1-OG1 2.96Å; D427-T429 PolarHBondContact OD2-OG1 3.43Å
430K87.6Confident91.1Very high110 Ų11041.6 Ų41.648%0.47822%0.222SC..EExtended strand (participates in β ladder)trans-113.687.2178.8-64.9-173.7-178.1-172.90110S423 I424 D427 Y432S423-K430 WeakPolarHBondContact CA-O 3.18Å; I424-K430 PolarHBondContact N-O 3.35Å; D427-K430 PolarHBondContact O-N 3.46Å; K430-Y432 HydrophobicContact CB-CE2 4.15Å
431T94Very high90.7Very high11 Ų1143.6 Ų43.67%0.06723%0.231CC..EExtended strand (participates in β ladder)trans-104.9151.4179.256.90000112.4M408 V422 V485 Q688M408-T431 HydrophobicContact SD-CG2 3.88Å; V422-T431 CarbonylContact O-C 3.51Å; V422-T431 WeakPolarHBondContact O-CA 3.35Å; T431-V485 WeakPolarHBondContact O-CG1 3.17Å; T431-Q688 HydrophobicContact CG2-CB 3.97Å; T431-Q688 WeakPolarHBondContact CG2-O 3.28Å; T431-Q688 PolarHBondContact OG1-O 2.77Å; T431-Q688 VanDerWaalsContact OG1-O 3.12Å; T431-Q688 PolarHBondContact OG1-OE1 2.86Å
432Y95.5Very high90.4Very high32 Ų3243.6 Ų43.613%0.12523%0.231CC..EExtended strand (participates in β ladder)trans-143163.2-175.9-61.9-89.8000109.4F397 L421 V422 I424 K430 L482 L483F397-Y432 AromaticContact CE1-CE1 3.76Å; F397-Y432 HydrophobicContact CE1-CE1 3.76Å; F397-Y432 AromaticContact CE1-CZ 3.7Å; F397-Y432 AromaticContact CZ-CE1 3.72Å; F397-Y432 HydrophobicContact CZ-CE1 3.72Å; F397-Y432 AromaticContact CZ-CZ 3.95Å; L421-Y432 WeakPolarHBondContact CA-O 3.29Å; V422-Y432 PolarHBondContact N-O 2.95Å; V422-Y432 PolarHBondContact O-N 3.04Å; I424-Y432 HydrophobicContact CD1-CD2 3.98Å; I424-Y432 HydrophobicContact CD1-CE2 3.31Å; I424-Y432 HydrophobicContact CG1-CD2 3.95Å; I424-Y432 HydrophobicContact CG1-CE2 3.68Å; K430-Y432 HydrophobicContact CB-CE2 4.15Å; Y432-L482 HydrophobicContact CG-CD1 4.11Å; Y432-L482 HydrophobicContact CG-CG 4.41Å; Y432-L483 WeakPolarHBondContact CB-O 3.49Å
433A95.8Very high90.1Very high9 Ų945.9 Ų45.97%0.07424%0.243CC..EExtended strand (participates in β ladder)trans-101.3124.4171.900000109.3L411 V419 E420 L483 V485L411-A433 HydrophobicContact CD1-CB 3.9Å; V419-A433 HydrophobicContact CG1-CB 3.86Å; E420-A433 CarbonylContact O-C 3.55Å; E420-A433 WeakPolarHBondContact O-CA 3.4Å; A433-L483 HydrophobicContact CB-CB 4.29Å; A433-L483 PolarHBondContact N-O 3.18Å; A433-L483 PolarHBondContact O-N 3.1Å; A433-V485 HydrophobicContact CB-CB 4.4Å; A433-V485 HydrophobicContact CB-CG2 4.48Å
434L96.2Very high89.5Confident5 Ų552 Ų523%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-104.8103.1177.6-172.768000109L402 L405 V419 E420 V422 K436 F473 Y480 L481 L482L402-L434 HydrophobicContact CD1-CD2 4.35Å; L405-L434 HydrophobicContact CD1-CD1 3.95Å; L405-L434 HydrophobicContact CD1-CD2 4.1Å; V419-L434 WeakPolarHBondContact CA-O 3.47Å; E420-L434 PolarHBondContact N-O 2.88Å; E420-L434 PolarHBondContact O-N 2.94Å; V422-L434 HydrophobicContact CG1-CB 3.71Å; V422-L434 HydrophobicContact CG1-CD2 3.95Å; V422-L434 HydrophobicContact CG1-CG 4.47Å; V422-L434 HydrophobicContact CG2-CB 4.08Å; L434-K436 PolarHBondContact O-N 3.02Å; L434-F473 HydrophobicContact CD1-CD2 4.39Å; L434-F473 HydrophobicContact CD1-CE2 4.43Å; L434-Y480 HydrophobicContact CD1-CD1 4.24Å; L434-Y480 HydrophobicContact CD2-CD1 3.95Å; L434-Y480 HydrophobicContact CD2-CE1 4.46Å; L434-Y480 HydrophobicContact CG-CD1 4.08Å; L434-L481 WeakPolarHBondContact CA-O 3.33Å; L434-L482 HydrophobicContact CD1-CB 4.29Å; L434-L482 HydrophobicContact CD1-CD1 4.16Å
435K95.1Very high88.8Confident30 Ų3052.1 Ų52.113%0.1327%0.274CS..EExtended strand (participates in β ladder)trans-78.9110171.6-171.3-178.8-173.1-171.30107.7R418 V419 M437 E454 Y480 L481 L483 D547R418-K435 CarbonylContact O-C 3.52Å; R418-K435 WeakPolarHBondContact O-CA 3.36Å; V419-K435 HydrophobicContact CG2-CB 4.27Å; V419-K435 HydrophobicContact CG2-CG 4.16Å; K435-M437 HydrophobicContact CD-SD 4.12Å; K435-M437 HydrophobicContact CG-CG 4.16Å; K435-M437 HydrophobicContact CG-SD 4.25Å; K435-E454 IonicContact NZ-OE1 2.82Å; K435-E454 PolarHBondContact NZ-OE1 3.47Å; K435-E454 IonicContact NZ-OE2 3.86Å; K435-E454 PolarHBondContact NZ-OE2 3.45Å; K435-Y480 CarbonylContact O-C 3.53Å; K435-Y480 VanDerWaalsContact O-CA 3.31Å; K435-Y480 WeakPolarHBondContact O-CA 3.43Å; K435-L481 HydrophobicContact CB-CB 4.21Å; K435-L481 HydrophobicContact CD-CD1 4.26Å; K435-L481 PolarHBondContact N-O 3.35Å; K435-L481 PolarHBondContact O-N 3.04Å; K435-L483 HydrophobicContact CB-CD1 4.43Å; K435-D547 IonicContact NZ-OD1 3.3Å; K435-D547 PolarHBondContact NZ-OD1 3.4Å
436K94.5Very high88.6Confident34 Ų3455.3 Ų55.315%0.14828%0.277CS..EExtended strand (participates in β ladder)trans-104.9119.1-179.4175.3-179.8-176.1-169.90108.9G417 R418 L434 Y478 Y480G417-K436 CarbonylContact C-O 3.57Å; G417-K436 VanDerWaalsContact CA-O 3.3Å; G417-K436 WeakPolarHBondContact CA-O 3.33Å; R418-K436 PolarHBondContact N-O 2.89Å; R418-K436 PolarHBondContact O-N 3.26Å; L434-K436 PolarHBondContact O-N 3.02Å; K436-Y478 HydrophobicContact CD-CD1 4.19Å; K436-Y478 HydrophobicContact CD-CE1 4.24Å; K436-Y478 HydrophobicContact CD-CG 4.45Å; K436-Y478 VanDerWaalsContact CE-CD1 3.49Å; K436-Y478 VanDerWaalsContact CE-CE2 3.4Å; K436-Y478 HydrophobicContact CG-CD1 3.64Å; K436-Y478 HydrophobicContact CG-CE1 4.11Å; K436-Y478 HydrophobicContact CG-CG 3.99Å; K436-Y480 HydrophobicContact CB-CD1 3.95Å; K436-Y480 HydrophobicContact CB-CE1 4.01Å; K436-Y480 HydrophobicContact CD-CE1 3.8Å; K436-Y480 HydrophobicContact CG-CD1 3.98Å; K436-Y480 HydrophobicContact CG-CE1 3.55Å
437M94.3Very high88.8Confident2 Ų250.2 Ų50.21%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-123135.4-174.7-58.7175.4-71.700111.3F416 K435 K439 I442 V451 Y478 V479 L481F416-M437 HydrophobicContact CB-CG 4.36Å; F416-M437 WeakPolarHBondContact O-CA 3.43Å; K435-M437 HydrophobicContact CD-SD 4.12Å; K435-M437 HydrophobicContact CG-CG 4.16Å; K435-M437 HydrophobicContact CG-SD 4.25Å; M437-K439 PolarHBondContact O-N 3.06Å; M437-I442 HydrophobicContact CB-CD1 3.97Å; M437-V451 HydrophobicContact CE-CG1 3.89Å; M437-Y478 VanDerWaalsContact O-CA 3.22Å; M437-Y478 WeakPolarHBondContact O-CA 3.47Å; M437-V479 HydrophobicContact CB-CG2 4.01Å; M437-V479 HydrophobicContact CE-CG2 3.87Å; M437-V479 PolarHBondContact N-O 2.98Å; M437-V479 PolarHBondContact O-N 3.33Å; M437-V479 VanDerWaalsContact O-N 3.08Å; M437-L481 HydrophobicContact CE-CD1 3.92Å; M437-L481 HydrophobicContact CE-CG 4.02Å
438R93.9Very high89.1Confident58 Ų5849.6 Ų49.622%0.21924%0.235CC..EExtended strand (participates in β ladder)trans-76.8120.4-176.6-65.7177.5-178-161.70.6110.1F416 Q440 H441 I442 Y478 E700 P704F416-R438 PolarHBondContact O-N 3.29Å; F416-R438 VanDerWaalsContact O-N 3.17Å; R438-Q440 PolarHBondContact O-N 3.17Å; R438-H441 HydrophobicContact CB-CB 3.97Å; R438-H441 PolarHBondContact O-N 3.01Å; R438-I442 WeakPolarHBondContact O-CG1 3.13Å; R438-I442 PolarHBondContact O-N 2.84Å; R438-Y478 HydrophobicContact CG-CD1 4.09Å; R438-Y478 HydrophobicContact CG-CE1 3.66Å; R438-E700 IonicContact CZ-OE1 2.67Å; R438-E700 IonicContact NE-OE1 2.93Å; R438-E700 VanDerWaalsContact NH2-CD 3.27Å; R438-E700 IonicContact NH2-OE1 2.8Å; R438-E700 PolarHBondContact NH2-OE1 2.91Å; R438-P704 HydrophobicContact CG-CG 4.23Å
439K94.5Very high89.4Confident4 Ų447 Ų472%0.01723%0.225CC..Hα-helixtrans-59.8-46.3180-71.6178.6167-167.60112.7M437 H441 I442 I443 D475 K477 V479 E707 W711 D712M437-K439 PolarHBondContact O-N 3.06Å; K439-H441 VanDerWaalsContact C-N 3.27Å; K439-H441 PolarHBondContact O-N 3.05Å; K439-I442 WeakPolarHBondContact O-CB 3.22Å; K439-I442 PolarHBondContact O-N 3.07Å; K439-I443 PolarHBondContact O-N 3.09Å; K439-D475 WeakPolarHBondContact CE-O 3.19Å; K439-D475 PolarHBondContact NZ-O 3.15Å; K439-K477 PolarHBondContact N-O 3.24Å; K439-V479 HydrophobicContact CG-CG1 4.27Å; K439-E707 HydrophobicContact CB-CB 3.63Å; K439-E707 HydrophobicContact CB-CG 3.88Å; K439-E707 HydrophobicContact CD-CB 3.97Å; K439-E707 PolarHBondContact NZ-O 2.69Å; K439-W711 HydrophobicContact CG-CZ2 4.26Å; K439-D712 WeakPolarHBondContact CE-OD2 3.44Å; K439-D712 IonicContact NZ-OD1 3.96Å; K439-D712 PolarHBondContact NZ-OD1 3.38Å; K439-D712 IonicContact NZ-OD2 2.71Å; K439-D712 PolarHBondContact NZ-OD2 2.56Å
440Q90.4Very high89.4Confident55 Ų5542.6 Ų42.626%0.25720%0.197SC..Hα-helixtrans-56.6-43.2179.9-173.159.624.500112R438 I442 I443 E444R438-Q440 PolarHBondContact O-N 3.17Å; Q440-I442 PolarHBondContact O-N 2.82Å; Q440-I443 PolarHBondContact O-N 3.06Å; Q440-E444 WeakPolarHBondContact CG-OE1 3.43Å; Q440-E444 PolarHBondContact NE2-OE1 3.3Å; Q440-E444 WeakPolarHBondContact O-CB 3.45Å; Q440-E444 VanDerWaalsContact O-CG 3.27Å; Q440-E444 WeakPolarHBondContact O-CG 3.45Å; Q440-E444 PolarHBondContact O-N 3.1Å
441H87.1Confident89.6Confident62 Ų6237.6 Ų37.629%0.28718%0.176SC..Hα-helixtrans-67.6-35.6178.2-172.162.1000112.5G415 F416 R438 K439 T445G415-H441 PolarHBondContact O-CD2 2.89Å; G415-H441 PolarHBondContact O-NE2 3.01Å; F416-H441 AromaticContact CD1-CD2 3.71Å; R438-H441 HydrophobicContact CB-CB 3.97Å; R438-H441 PolarHBondContact O-N 3.01Å; K439-H441 VanDerWaalsContact C-N 3.27Å; K439-H441 PolarHBondContact O-N 3.05Å; H441-T445 WeakPolarHBondContact O-CB 3.44Å; H441-T445 WeakPolarHBondContact O-CG2 3.29Å; H441-T445 PolarHBondContact O-N 3.05Å; H441-T445 PolarHBondContact O-OG1 3.4Å
442I88.6Confident89.5Confident0 Ų039.2 Ų39.20%018%0.184CC..Hα-helixtrans-63.1-43.9175.9-66.2162.5000110.5F416 M437 R438 K439 Q440 T445 K446 Q447 E448 V451 V479 W711F416-I442 HydrophobicContact CD1-CG1 4.44Å; M437-I442 HydrophobicContact CB-CD1 3.97Å; R438-I442 WeakPolarHBondContact O-CG1 3.13Å; R438-I442 PolarHBondContact O-N 2.84Å; K439-I442 WeakPolarHBondContact O-CB 3.22Å; K439-I442 PolarHBondContact O-N 3.07Å; Q440-I442 PolarHBondContact O-N 2.82Å; I442-T445 CarbonylContact O-C 3.58Å; I442-T445 PolarHBondContact O-N 3.4Å; I442-T445 PolarHBondContact O-OG1 3.26Å; I442-K446 WeakPolarHBondContact O-CA 3.48Å; I442-K446 PolarHBondContact O-N 3.15Å; I442-Q447 HydrophobicContact CG2-CB 4.23Å; I442-Q447 PolarHBondContact O-N 3.1Å; I442-E448 HydrophobicContact CG2-CB 4.45Å; I442-E448 HydrophobicContact CG2-CG 4.09Å; I442-V451 HydrophobicContact CD1-CG1 4.35Å; I442-V451 HydrophobicContact CD1-CG2 3.95Å; I442-V451 HydrophobicContact CG1-CG2 4.14Å; I442-V451 HydrophobicContact CG2-CG2 4.06Å; I442-V479 HydrophobicContact CD1-CG2 3.96Å; I442-W711 HydrophobicContact CB-CZ2 4.31Å; I442-W711 HydrophobicContact CD1-CH2 3.9Å; I442-W711 HydrophobicContact CD1-CZ2 4.04Å; I442-W711 HydrophobicContact CG2-CH2 3.86Å; I442-W711 HydrophobicContact CG2-CZ2 3.97Å; I442-W711 HydrophobicContact CG2-CZ3 4.49Å
443I87.7Confident89.2Confident49 Ų4939.6 Ų39.625%0.25119%0.188SC..Hα-helixtrans-67-46.3177.5-65.4-175000111.3K439 Q440 T445 K446 E448 E707K439-I443 PolarHBondContact O-N 3.09Å; Q440-I443 PolarHBondContact O-N 3.06Å; I443-T445 PolarHBondContact O-N 3.3Å; I443-K446 PolarHBondContact O-N 3.34Å; I443-E448 HydrophobicContact CG1-CG 4.29Å; I443-E707 HydrophobicContact CD1-CG 3.35Å; I443-E707 WeakPolarHBondContact CD1-OE1 3.4Å; I443-E707 HydrophobicContact CG1-CG 4.41Å
444E83.3Confident89Confident129 Ų12939.4 Ų39.460%0.60319%0.186SC*.Hα-helixtrans-58.6-33.1178.9-75.8169.7-175.600112.5Q440Q440-E444 WeakPolarHBondContact CG-OE1 3.43Å; Q440-E444 PolarHBondContact NE2-OE1 3.3Å; Q440-E444 WeakPolarHBondContact O-CB 3.45Å; Q440-E444 VanDerWaalsContact O-CG 3.27Å; Q440-E444 WeakPolarHBondContact O-CG 3.45Å; Q440-E444 PolarHBondContact O-N 3.1Å
445T75.6Confident88.9Confident46 Ų4639.8 Ų39.828%0.28219%0.187SC..THydrogen-bonded Turntrans-94-1.2177.657.20000113.8H441 I442 I443 Q447H441-T445 WeakPolarHBondContact O-CB 3.44Å; H441-T445 WeakPolarHBondContact O-CG2 3.29Å; H441-T445 PolarHBondContact O-N 3.05Å; H441-T445 PolarHBondContact O-OG1 3.4Å; I442-T445 CarbonylContact O-C 3.58Å; I442-T445 PolarHBondContact O-N 3.4Å; I442-T445 PolarHBondContact O-OG1 3.26Å; I443-T445 PolarHBondContact O-N 3.3Å; T445-Q447 WeakPolarHBondContact O-CG 3.46Å; T445-Q447 PolarHBondContact O-N 3.35Å; T445-Q447 PolarHBondContact O-NE2 2.91Å; T445-Q447 VanDerWaalsContact OG1-CG 3.31Å; T445-Q447 WeakPolarHBondContact OG1-CG 3.45Å
446K80.8Confident88.7Confident106 Ų10641 Ų4146%0.46120%0.195SC..THydrogen-bonded Turntrans51.349.3-176.3-60.8169.8173.1-178.90113.7E105 I442 I443 E448E105-K446 HydrophobicContact CG-CB 4.31Å; E105-K446 HydrophobicContact CG-CD 4.05Å; E105-K446 WeakPolarHBondContact OE1-CD 3.43Å; E105-K446 IonicContact OE1-NZ 3.74Å; E105-K446 PolarHBondContact OE1-NZ 3.04Å; E105-K446 WeakPolarHBondContact OE2-CD 3.31Å; E105-K446 IonicContact OE2-NZ 2.92Å; E105-K446 PolarHBondContact OE2-NZ 2.96Å; I442-K446 WeakPolarHBondContact O-CA 3.48Å; I442-K446 PolarHBondContact O-N 3.15Å; I443-K446 PolarHBondContact O-N 3.34Å; K446-E448 WeakPolarHBondContact CA-OE2 3.45Å
447Q83Confident88.7Confident11 Ų1139.9 Ų39.95%0.05119%0.191CC..  trans-109.614.4-175.9-58.7-65.6-48.300113.2F416 I442 T445 E449 H450 V451F416-Q447 HydrophobicContact CE1-CB 4.06Å; F416-Q447 HydrophobicContact CE1-CG 3.66Å; F416-Q447 HydrophobicContact CZ-CB 4.32Å; F416-Q447 HydrophobicContact CZ-CG 3.78Å; I442-Q447 HydrophobicContact CG2-CB 4.23Å; I442-Q447 PolarHBondContact O-N 3.1Å; T445-Q447 WeakPolarHBondContact O-CG 3.46Å; T445-Q447 PolarHBondContact O-N 3.35Å; T445-Q447 PolarHBondContact O-NE2 2.91Å; T445-Q447 VanDerWaalsContact OG1-CG 3.31Å; T445-Q447 WeakPolarHBondContact OG1-CG 3.45Å; Q447-E449 VanDerWaalsContact C-N 3.33Å; Q447-E449 PolarHBondContact O-N 3.45Å; Q447-H450 PolarHBondContact O-N 3.4Å; Q447-H450 VanDerWaalsContact O-N 3.12Å; Q447-H450 PolarHBondContact OE1-ND1 3.41Å; Q447-V451 WeakPolarHBondContact O-CG2 3.3Å; Q447-V451 PolarHBondContact O-N 3.39Å
448E89.3Confident88.6Confident51 Ų5139.9 Ų39.924%0.23819%0.191CC..Hα-helixtrans-54.9-47.9-177.9-58.791.7143.700111.2I442 I443 K446 H450 V451 I452 W711I442-E448 HydrophobicContact CG2-CB 4.45Å; I442-E448 HydrophobicContact CG2-CG 4.09Å; I443-E448 HydrophobicContact CG1-CG 4.29Å; K446-E448 WeakPolarHBondContact CA-OE2 3.45Å; E448-H450 VanDerWaalsContact C-N 3.33Å; E448-H450 PolarHBondContact O-N 3.5Å; E448-V451 PolarHBondContact O-N 3.07Å; E448-I452 WeakPolarHBondContact O-CG1 3.32Å; E448-I452 PolarHBondContact O-N 3.22Å; E448-W711 HydrophobicContact CB-CD2 4.02Å; E448-W711 HydrophobicContact CB-CE3 3.67Å; E448-W711 HydrophobicContact CB-CG 4.5Å; E448-W711 HydrophobicContact CB-CZ3 4.12Å; E448-W711 HydrophobicContact CG-CD2 3.82Å; E448-W711 HydrophobicContact CG-CE3 4Å; E448-W711 HydrophobicContact CG-CG 4.07Å
449E86.1Confident88.5Confident84 Ų8438.3 Ų38.339%0.39319%0.186SC..Hα-helixtrans-62-40179.2-165.2-162.3140.600111.7P106 Q447 I452 N453 K552P106-E449 WeakPolarHBondContact CB-OE2 3.34Å; P106-E449 HydrophobicContact CG-CB 4.17Å; P106-E449 WeakPolarHBondContact CG-OE2 3.39Å; Q447-E449 VanDerWaalsContact C-N 3.33Å; Q447-E449 PolarHBondContact O-N 3.45Å; E449-I452 PolarHBondContact O-N 2.69Å; E449-N453 WeakPolarHBondContact O-CB 3.35Å; E449-N453 PolarHBondContact O-N 3.14Å; E449-N453 PolarHBondContact O-ND2 2.89Å; E449-N453 PolarHBondContact OE1-ND2 3.38Å; E449-K552 IonicContact OE1-NZ 3.52Å
450H84.5Confident88.1Confident6 Ų642.8 Ų42.83%0.02821%0.207CC..Hα-helixtrans-66.5-39178.1-71.4163.2000111.9S103 Q447 E448 N453 E454S103-H450 PolarHBondContact OG-CE1 2.84Å; S103-H450 VanDerWaalsContact OG-CE1 3.23Å; Q447-H450 PolarHBondContact O-N 3.4Å; Q447-H450 VanDerWaalsContact O-N 3.12Å; Q447-H450 PolarHBondContact OE1-ND1 3.41Å; E448-H450 VanDerWaalsContact C-N 3.33Å; E448-H450 PolarHBondContact O-N 3.5Å; H450-N453 PolarHBondContact O-N 3.28Å; H450-E454 WeakPolarHBondContact O-CB 3.5Å; H450-E454 PolarHBondContact O-N 3.19Å
451V91.1Very high88.1Confident6 Ų640.5 Ų40.54%0.03620%0.197CC..Hα-helixtrans-69.4-40.8178174.80000111.6M437 I442 Q447 E448 E454 R455 V479 W711 F715M437-V451 HydrophobicContact CE-CG1 3.89Å; I442-V451 HydrophobicContact CD1-CG1 4.35Å; I442-V451 HydrophobicContact CD1-CG2 3.95Å; I442-V451 HydrophobicContact CG1-CG2 4.14Å; I442-V451 HydrophobicContact CG2-CG2 4.06Å; Q447-V451 WeakPolarHBondContact O-CG2 3.3Å; Q447-V451 PolarHBondContact O-N 3.39Å; E448-V451 PolarHBondContact O-N 3.07Å; V451-E454 PolarHBondContact O-N 3.38Å; V451-R455 PolarHBondContact O-N 2.92Å; V451-R455 VanDerWaalsContact O-N 3.12Å; V451-V479 HydrophobicContact CG1-CG2 4.13Å; V451-W711 HydrophobicContact CB-CH2 4.2Å; V451-W711 HydrophobicContact CB-CZ3 4.17Å; V451-W711 HydrophobicContact CG1-CH2 3.91Å; V451-W711 HydrophobicContact CG1-CZ3 4.11Å; V451-F715 HydrophobicContact CG1-CE1 4.36Å; V451-F715 HydrophobicContact CG1-CE2 4.41Å; V451-F715 HydrophobicContact CG1-CZ 3.68Å
452I91.8Very high88.2Confident44 Ų4442.5 Ų42.523%0.22621%0.21CC..Hα-helixtrans-64.1-43.4172.8-65.9169.9000110.6E448 E449 R455 N456 W711 F715E448-I452 WeakPolarHBondContact O-CG1 3.32Å; E448-I452 PolarHBondContact O-N 3.22Å; E449-I452 PolarHBondContact O-N 2.69Å; I452-R455 WeakPolarHBondContact O-CB 3.43Å; I452-R455 PolarHBondContact O-N 3.32Å; I452-N456 WeakPolarHBondContact CG2-ND2 3.37Å; I452-N456 WeakPolarHBondContact O-CB 3.24Å; I452-N456 PolarHBondContact O-N 2.78Å; I452-N456 PolarHBondContact O-ND2 3.03Å; I452-W711 HydrophobicContact CD1-CE3 4.01Å; I452-W711 HydrophobicContact CD1-CZ3 4.47Å; I452-W711 HydrophobicContact CG1-CE3 4.09Å; I452-W711 HydrophobicContact CG1-CZ3 4.05Å; I452-F715 HydrophobicContact CG1-CE2 4.21Å
453N88.7Confident88.5Confident40 Ų4043.4 Ų43.421%0.21422%0.216CC..Hα-helixtrans-64.3-41.5178-78.4-23.4000112E449 H450 R455 N456 I457E449-N453 WeakPolarHBondContact O-CB 3.35Å; E449-N453 PolarHBondContact O-N 3.14Å; E449-N453 PolarHBondContact O-ND2 2.89Å; E449-N453 PolarHBondContact OE1-ND2 3.38Å; H450-N453 PolarHBondContact O-N 3.28Å; N453-R455 PolarHBondContact O-N 3.02Å; N453-N456 PolarHBondContact O-N 2.79Å; N453-I457 WeakPolarHBondContact O-CB 3.33Å; N453-I457 WeakPolarHBondContact O-CG1 3.42Å; N453-I457 PolarHBondContact O-N 3.26Å
454E92.8Very high88.8Confident6 Ų644.8 Ų44.83%0.02822%0.224CC..Hα-helixtrans-56.2-51.8174-177.5175.9-163.100110.2K435 H450 V451 N456 I457 M458 L481 L548K435-E454 IonicContact NZ-OE1 2.82Å; K435-E454 PolarHBondContact NZ-OE1 3.47Å; K435-E454 IonicContact NZ-OE2 3.86Å; K435-E454 PolarHBondContact NZ-OE2 3.45Å; H450-E454 WeakPolarHBondContact O-CB 3.5Å; H450-E454 PolarHBondContact O-N 3.19Å; V451-E454 PolarHBondContact O-N 3.38Å; E454-N456 PolarHBondContact O-N 2.95Å; E454-I457 PolarHBondContact O-N 2.77Å; E454-M458 HydrophobicContact CG-CG 4.44Å; E454-M458 HydrophobicContact CG-SD 4.02Å; E454-M458 WeakPolarHBondContact O-CB 3.39Å; E454-M458 VanDerWaalsContact O-CG 3.26Å; E454-M458 WeakPolarHBondContact O-CG 3.33Å; E454-M458 PolarHBondContact O-N 3.18Å; E454-L481 HydrophobicContact CG-CD1 4.36Å; E454-L548 HydrophobicContact CG-CB 4.13Å; E454-L548 PolarHBondContact OE1-N 3.4Å
455R93.3Very high89.5Confident12 Ų1239.1 Ų39.15%0.04520%0.197CC..Hα-helixtrans-53.2-54.1175.1169.8-171.6177.1-78.21.3110.9E392 V451 I452 N453 I457 M458 L459 T472 L481 S714 F715E392-R455 IonicContact OE1-NH2 3.29Å; E392-R455 PolarHBondContact OE1-NH2 3.3Å; V451-R455 PolarHBondContact O-N 2.92Å; V451-R455 VanDerWaalsContact O-N 3.12Å; I452-R455 WeakPolarHBondContact O-CB 3.43Å; I452-R455 PolarHBondContact O-N 3.32Å; N453-R455 PolarHBondContact O-N 3.02Å; R455-I457 PolarHBondContact O-N 3.36Å; R455-M458 PolarHBondContact O-N 3.37Å; R455-L459 HydrophobicContact CG-CD1 3.91Å; R455-L459 HydrophobicContact CG-CG 4.41Å; R455-L459 WeakPolarHBondContact O-CG 3.41Å; R455-L459 PolarHBondContact O-N 3.37Å; R455-T472 HydrophobicContact CG-CG2 3.83Å; R455-L481 HydrophobicContact CB-CD2 4.37Å; R455-S714 PolarHBondContact NE-O 3.26Å; R455-S714 PolarHBondContact NH2-O 3.4Å; R455-F715 HydrophobicContact CB-CE1 4.13Å; R455-F715 HydrophobicContact CB-CE2 4.43Å; R455-F715 HydrophobicContact CB-CZ 3.77Å; R455-F715 HydrophobicContact CG-CE1 4.44Å; R455-F715 HydrophobicContact CG-CZ 4.31Å
456N92.2Very high90.5Very high56 Ų5637 Ų3730%0.29918%0.184SC..Hα-helixtrans-63.9-41.9-172.9-70.5-17.1000111.8I452 N453 E454 H460I452-N456 WeakPolarHBondContact CG2-ND2 3.37Å; I452-N456 WeakPolarHBondContact O-CB 3.24Å; I452-N456 PolarHBondContact O-N 2.78Å; I452-N456 PolarHBondContact O-ND2 3.03Å; N453-N456 PolarHBondContact O-N 2.79Å; E454-N456 PolarHBondContact O-N 2.95Å; N456-H460 PolarHBondContact O-ND1 3.41Å
457I93.2Very high91.3Very high11 Ų1132.1 Ų32.16%0.05616%0.163CC..Hα-helixtrans-63.6-48.9176.2-72.3168.1000109.9N453 E454 R455 L459 H460 T461 I525 L548 A551N453-I457 WeakPolarHBondContact O-CB 3.33Å; N453-I457 WeakPolarHBondContact O-CG1 3.42Å; N453-I457 PolarHBondContact O-N 3.26Å; E454-I457 PolarHBondContact O-N 2.77Å; R455-I457 PolarHBondContact O-N 3.36Å; I457-L459 VanDerWaalsContact C-N 3.31Å; I457-L459 PolarHBondContact O-N 3.09Å; I457-H460 PolarHBondContact O-N 3Å; I457-T461 HydrophobicContact CG2-CG2 4.16Å; I457-T461 WeakPolarHBondContact O-CG2 3.36Å; I457-T461 PolarHBondContact O-N 2.85Å; I457-I525 HydrophobicContact CD1-CG2 4.12Å; I457-I525 HydrophobicContact CG2-CD1 4.17Å; I457-I525 HydrophobicContact CG2-CG2 4.17Å; I457-L548 HydrophobicContact CG2-CD1 4.38Å; I457-L548 HydrophobicContact CG2-CD2 4Å; I457-A551 HydrophobicContact CD1-CB 3.78Å; I457-A551 WeakPolarHBondContact CD1-O 3.45Å
458M93.7Very high91.8Very high2 Ų234.8 Ų34.81%0.0117%0.173CC..Hα-helixtrans-63.9-32.4-178.1-73.1-169.888.700113.9E454 R455 H460 T461 V467 L469 L481 L483 L548E454-M458 HydrophobicContact CG-CG 4.44Å; E454-M458 HydrophobicContact CG-SD 4.02Å; E454-M458 WeakPolarHBondContact O-CB 3.39Å; E454-M458 VanDerWaalsContact O-CG 3.26Å; E454-M458 WeakPolarHBondContact O-CG 3.33Å; E454-M458 PolarHBondContact O-N 3.18Å; R455-M458 PolarHBondContact O-N 3.37Å; M458-H460 PolarHBondContact O-N 3.11Å; M458-T461 WeakPolarHBondContact CA-OG1 3.37Å; M458-T461 PolarHBondContact O-OG1 3.46Å; M458-V467 HydrophobicContact CE-CG1 4.44Å; M458-V467 WeakPolarHBondContact CE-O 3.1Å; M458-L469 HydrophobicContact CB-CB 3.66Å; M458-L469 HydrophobicContact CB-CD2 3.68Å; M458-L469 HydrophobicContact CB-CG 4.31Å; M458-L469 HydrophobicContact CE-CB 4.3Å; M458-L481 HydrophobicContact SD-CD1 4.45Å; M458-L483 HydrophobicContact CE-CD1 4.35Å; M458-L483 HydrophobicContact CE-CD2 3.39Å; M458-L483 HydrophobicContact CE-CG 4.48Å; M458-L483 HydrophobicContact SD-CD2 4.13Å; M458-L548 HydrophobicContact CE-CD1 4.28Å; M458-L548 HydrophobicContact CG-CB 4.15Å; M458-L548 HydrophobicContact CG-CD1 3.35Å; M458-L548 HydrophobicContact CG-CG 4.36Å; M458-L548 HydrophobicContact SD-CD1 4.22Å
459L90.2Very high92.1Very high25 Ų2533 Ų3313%0.13117%0.165CC..Hα-helixtrans-64.9-27.5174.8-76.6173.2000112.6Y393 R455 I457 L469Y393-L459 HydrophobicContact CD1-CD2 4.34Å; Y393-L459 HydrophobicContact CE1-CD2 3.72Å; R455-L459 HydrophobicContact CG-CD1 3.91Å; R455-L459 HydrophobicContact CG-CG 4.41Å; R455-L459 WeakPolarHBondContact O-CG 3.41Å; R455-L459 PolarHBondContact O-N 3.37Å; I457-L459 VanDerWaalsContact C-N 3.31Å; I457-L459 PolarHBondContact O-N 3.09Å; L459-L469 HydrophobicContact CD2-CD2 3.69Å; L459-L469 HydrophobicContact CD2-CG 4.21Å; L459-L469 HydrophobicContact CG-CD2 3.67Å
460H85.9Confident92.4Very high97 Ų9729.4 Ų29.445%0.44915%0.149SC..THydrogen-bonded Turntrans-106.48.2-174.8-61.690.3000113.4N456 I457 M458 Y519 K523N456-H460 PolarHBondContact O-ND1 3.41Å; I457-H460 PolarHBondContact O-N 3Å; M458-H460 PolarHBondContact O-N 3.11Å; H460-Y519 PolarHBondContact O-OH 3.25Å; H460-K523 PolarHBondContact O-NZ 3.16Å
461T90.4Very high92.9Very high8 Ų830.2 Ų30.25%0.04915%0.152CC..  trans-96.7125.4173.152.80000111I457 M458 Y519 L520I457-T461 HydrophobicContact CG2-CG2 4.16Å; I457-T461 WeakPolarHBondContact O-CG2 3.36Å; I457-T461 PolarHBondContact O-N 2.85Å; M458-T461 WeakPolarHBondContact CA-OG1 3.37Å; M458-T461 PolarHBondContact O-OG1 3.46Å; T461-Y519 HydrophobicContact CG2-CE1 4.06Å; T461-L520 HydrophobicContact CG2-CD2 3.85Å
462D90.4Very high93.1Very high103 Ų10330 Ų3055%0.55115%0.151SC*.  trans-135.484.6173.3-169.127.7000108.5R468 Y519D462-R468 IonicContact OD1-CZ 3.46Å; D462-R468 IonicContact OD1-NE 3.44Å; D462-R468 PolarHBondContact OD1-NE 3.27Å; D462-R468 IonicContact OD1-NH2 2.68Å; D462-R468 PolarHBondContact OD1-NH2 3.41Å; D462-Y519 PolarHBondContact N-OH 3.26Å; D462-Y519 WeakPolarHBondContact O-CE2 3.32Å
463C93.9Very high93.4Very high19 Ų1928.7 Ų28.713%0.12814%0.144CC..  trans-142.3133.1-176.2178.90000109.3F465 I466 Y519C463-F465 PolarHBondContact O-N 2.7Å; C463-F465 VanDerWaalsContact O-N 3.08Å; C463-I466 HydrophobicContact CB-CB 4.18Å; C463-I466 HydrophobicContact CB-CD1 3.89Å; C463-I466 HydrophobicContact CB-CG1 3.97Å; C463-I466 PolarHBondContact O-N 3Å; C463-I466 VanDerWaalsContact O-N 3.09Å; C463-Y519 HydrophobicContact CB-CD1 3.9Å; C463-Y519 HydrophobicContact CB-CD2 3.9Å; C463-Y519 HydrophobicContact CB-CE1 4.21Å; C463-Y519 HydrophobicContact CB-CE2 4.19Å; C463-Y519 HydrophobicContact CB-CG 3.76Å
464D95.1Very high93.7Very high79 Ų7931.8 Ų31.842%0.42215%0.152SC..THydrogen-bonded Turntrans-63.8-15.7-179.4-75.3-20.5000113.7K544D464-K544 WeakPolarHBondContact O-CE 3.31Å
465F97.4Very high93.8Very high9 Ų934 Ų344%0.03916%0.164CC..THydrogen-bonded Turntrans-105.212.2-179.8-52.2-81.5000112.9C463 C512 E515 A516 Y542 K544 L545 L672C463-F465 PolarHBondContact O-N 2.7Å; C463-F465 VanDerWaalsContact O-N 3.08Å; F465-C512 HydrophobicContact CD1-CB 3.88Å; F465-C512 HydrophobicContact CE1-CB 4.26Å; F465-E515 HydrophobicContact CB-CB 4.49Å; F465-E515 HydrophobicContact CD2-CB 3.36Å; F465-E515 HydrophobicContact CD2-CG 4.1Å; F465-E515 HydrophobicContact CE2-CB 3.56Å; F465-E515 HydrophobicContact CE2-CG 3.75Å; F465-E515 HydrophobicContact CG-CB 3.9Å; F465-E515 HydrophobicContact CZ-CB 4.23Å; F465-E515 HydrophobicContact CZ-CG 4.09Å; F465-A516 HydrophobicContact CB-CB 3.84Å; F465-A516 WeakPolarHBondContact O-CB 3.39Å; F465-Y542 HydrophobicContact CE1-CD1 4.06Å; F465-K544 CarbonylContact O-C 3.58Å; F465-K544 VanDerWaalsContact O-CA 3.3Å; F465-K544 WeakPolarHBondContact O-CA 3.11Å; F465-L545 PolarHBondContact O-N 2.9Å; F465-L672 HydrophobicContact CE1-CG 4.3Å; F465-L672 HydrophobicContact CZ-CG 4.21Å
466I97.6Very high94Very high2 Ų237.5 Ų37.51%0.0118%0.184CC..BIsolated β-bridgetrans-129.8137.1174.5-57.9175.5000108.2C463 R468 A516 Y519 L520 L548C463-I466 HydrophobicContact CB-CB 4.18Å; C463-I466 HydrophobicContact CB-CD1 3.89Å; C463-I466 HydrophobicContact CB-CG1 3.97Å; C463-I466 PolarHBondContact O-N 3Å; C463-I466 VanDerWaalsContact O-N 3.09Å; I466-R468 PolarHBondContact O-N 3.47Å; I466-A516 HydrophobicContact CD1-CB 4.44Å; I466-A516 HydrophobicContact CG1-CB 3.85Å; I466-Y519 HydrophobicContact CD1-CD1 3.73Å; I466-Y519 HydrophobicContact CD1-CE1 4.39Å; I466-Y519 HydrophobicContact CD1-CG 4.48Å; I466-L520 HydrophobicContact CD1-CD1 4.21Å; I466-L520 HydrophobicContact CD1-CD2 3.78Å; I466-L520 HydrophobicContact CD1-CG 3.73Å; I466-L548 HydrophobicContact CG2-CD1 4.15Å
467V96.4Very high94.1Very high3 Ų337.1 Ų37.12%0.01818%0.18CC..PPolyproline II helixtrans-61.7121.1176.2172.10000110M458 L483 E484 K544 L545M458-V467 HydrophobicContact CE-CG1 4.44Å; M458-V467 WeakPolarHBondContact CE-O 3.1Å; V467-L483 HydrophobicContact CG1-CB 3.96Å; V467-L483 HydrophobicContact CG1-CD1 4.35Å; V467-E484 WeakPolarHBondContact CA-OE1 3.32Å; V467-E484 HydrophobicContact CG1-CG 3.91Å; V467-K544 HydrophobicContact CG2-CB 3.88Å; V467-L545 WeakPolarHBondContact CG2-O 3.48Å; V467-L545 PolarHBondContact N-O 3.43Å
468R94.5Very high94.2Very high68 Ų6837.1 Ų37.126%0.25718%0.179SC..PPolyproline II helixtrans-77.1132178.9-171.1-179-73.4137.2-2.9112.1D462 I466 L483 E484D462-R468 IonicContact OD1-CZ 3.46Å; D462-R468 IonicContact OD1-NE 3.44Å; D462-R468 PolarHBondContact OD1-NE 3.27Å; D462-R468 IonicContact OD1-NH2 2.68Å; D462-R468 PolarHBondContact OD1-NH2 3.41Å; I466-R468 PolarHBondContact O-N 3.47Å; R468-L483 WeakPolarHBondContact O-CA 3.42Å; R468-E484 HydrophobicContact CB-CG 4.26Å; R468-E484 PolarHBondContact N-OE1 2.8Å; R468-E484 PolarHBondContact O-N 3.05Å
469L94.6Very high94.3Very high13 Ų1337 Ų377%0.06818%0.179CC..EExtended strand (participates in β ladder)trans-80.8126.1164.5174.365.8000110.3M458 L459 K471 T472 L481 L483M458-L469 HydrophobicContact CB-CB 3.66Å; M458-L469 HydrophobicContact CB-CD2 3.68Å; M458-L469 HydrophobicContact CB-CG 4.31Å; M458-L469 HydrophobicContact CE-CB 4.3Å; L459-L469 HydrophobicContact CD2-CD2 3.69Å; L459-L469 HydrophobicContact CD2-CG 4.21Å; L459-L469 HydrophobicContact CG-CD2 3.67Å; L469-K471 WeakPolarHBondContact CD1-O 3.41Å; L469-T472 HydrophobicContact CD1-CG2 4.22Å; L469-T472 HydrophobicContact CD2-CG2 4.08Å; L469-L481 HydrophobicContact CD1-CB 3.93Å; L469-L481 HydrophobicContact CD1-CD2 4.07Å; L469-L481 HydrophobicContact CD2-CD2 4.44Å; L469-L483 HydrophobicContact CB-CD2 4.01Å; L469-L483 HydrophobicContact CD1-CD2 3.64Å; L469-L483 HydrophobicContact CG-CD2 4.46Å
470C93.7Very high94.6Very high9 Ų936.6 Ų36.66%0.06118%0.175CC..EExtended strand (participates in β ladder)trans-93.9-42.2-179.4-60.20000112Y393 F397 L482Y393-C470 VanDerWaalsContact CD1-O 3.29Å; Y393-C470 WeakPolarHBondContact CD1-O 3.5Å; F397-C470 HydrophobicContact CD1-CB 4.23Å; F397-C470 HydrophobicContact CD2-CB 3.89Å; F397-C470 HydrophobicContact CE1-CB 4.05Å; F397-C470 HydrophobicContact CE2-CB 3.71Å; F397-C470 HydrophobicContact CG-CB 4.17Å; F397-C470 HydrophobicContact CZ-CB 3.8Å; C470-L482 WeakPolarHBondContact CA-O 3.39Å; C470-L482 HydrophobicContact CB-CD2 4.21Å; C470-L482 HydrophobicContact CB-CG 4.23Å; C470-L482 VanDerWaalsContact CB-O 3.27Å; C470-L482 WeakPolarHBondContact CB-O 3.36Å; C470-L482 PolarHBondContact N-O 3.37Å
471K94.4Very high95.1Very high22 Ų2232 Ų3210%0.09615%0.154CC..EExtended strand (participates in β ladder)trans-164.5157.5179.6-153.5-170.9173.773.60112.2Y393 F397 K398 L400 L469 F473 L482Y393-K471 HydrophobicContact CD1-CB 4.16Å; Y393-K471 HydrophobicContact CD1-CG 3.82Å; Y393-K471 HydrophobicContact CD2-CG 4.44Å; Y393-K471 HydrophobicContact CE1-CB 4.24Å; Y393-K471 HydrophobicContact CE1-CG 3.81Å; Y393-K471 HydrophobicContact CE2-CG 4.44Å; Y393-K471 HydrophobicContact CG-CG 4.14Å; F397-K471 HydrophobicContact CB-CB 4.35Å; F397-K471 WeakPolarHBondContact O-CD 3.48Å; F397-K471 WeakPolarHBondContact O-CE 3.18Å; F397-K471 PolarHBondContact O-NZ 3.28Å; K398-K471 PolarHBondContact O-NZ 2.85Å; L400-K471 HydrophobicContact CB-CD 4.33Å; L400-K471 VanDerWaalsContact O-CE 3.23Å; L400-K471 WeakPolarHBondContact O-CE 3.48Å; L469-K471 WeakPolarHBondContact CD1-O 3.41Å; K471-F473 HydrophobicContact CB-CE2 4.5Å; K471-F473 HydrophobicContact CB-CZ 4.4Å; K471-F473 HydrophobicContact CD-CD1 4.34Å; K471-F473 HydrophobicContact CD-CE1 3.58Å; K471-F473 HydrophobicContact CD-CE2 4.45Å; K471-F473 HydrophobicContact CD-CZ 3.66Å; K471-F473 HydrophobicContact CG-CZ 4.47Å; K471-L482 HydrophobicContact CB-CB 4.34Å; K471-L482 HydrophobicContact CB-CD2 4.31Å; K471-L482 PolarHBondContact N-O 3.33Å; K471-L482 WeakPolarHBondContact O-CB 3.48Å; K471-L482 PolarHBondContact O-N 3.22Å
472T95.7Very high95.3Very high2 Ų231.6 Ų31.61%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-108.3158.3165.259.60000112.4Y393 R455 L469 Y480 L481 F715Y393-T472 PolarHBondContact OH-OG1 2.9Å; Y393-T472 VanDerWaalsContact OH-OG1 3.06Å; R455-T472 HydrophobicContact CG-CG2 3.83Å; L469-T472 HydrophobicContact CD1-CG2 4.22Å; L469-T472 HydrophobicContact CD2-CG2 4.08Å; T472-Y480 CarbonylContact C-O 3.59Å; T472-Y480 VanDerWaalsContact CA-O 3.23Å; T472-Y480 WeakPolarHBondContact CA-O 3.47Å; T472-L481 HydrophobicContact CG2-CD2 3.37Å; T472-F715 VanDerWaalsContact CB-OXT 3.26Å; T472-F715 WeakPolarHBondContact CB-OXT 3.44Å; T472-F715 HydrophobicContact CG2-CD1 4.11Å; T472-F715 HydrophobicContact CG2-CE1 4.36Å; T472-F715 PolarHBondContact OG1-OXT 3.46Å
473F96.4Very high95.6Very high17 Ų1727.1 Ų27.18%0.07513%0.128CC..EExtended strand (participates in β ladder)trans-142.8165.8169.4-45.1-91.6000110.4L400 L402 L405 L434 K471 Y480 L482 F715L400-F473 HydrophobicContact CD2-CZ 4.21Å; L400-F473 HydrophobicContact CG-CZ 4.26Å; L400-F473 WeakPolarHBondContact O-CE1 3.37Å; L402-F473 HydrophobicContact CB-CB 4.41Å; L402-F473 HydrophobicContact CB-CD1 4.08Å; L402-F473 HydrophobicContact CB-CG 4.23Å; L402-F473 HydrophobicContact CD1-CB 4.19Å; L402-F473 HydrophobicContact CD1-CD2 3.99Å; L402-F473 HydrophobicContact CD1-CG 4.05Å; L405-F473 HydrophobicContact CD1-CE2 3.73Å; L405-F473 HydrophobicContact CD1-CZ 4.04Å; L434-F473 HydrophobicContact CD1-CD2 4.39Å; L434-F473 HydrophobicContact CD1-CE2 4.43Å; K471-F473 HydrophobicContact CB-CE2 4.5Å; K471-F473 HydrophobicContact CB-CZ 4.4Å; K471-F473 HydrophobicContact CD-CD1 4.34Å; K471-F473 HydrophobicContact CD-CE1 3.58Å; K471-F473 HydrophobicContact CD-CE2 4.45Å; K471-F473 HydrophobicContact CD-CZ 3.66Å; K471-F473 HydrophobicContact CG-CZ 4.47Å; F473-Y480 HydrophobicContact CB-CD2 4.02Å; F473-Y480 HydrophobicContact CB-CG 4.32Å; F473-Y480 PolarHBondContact N-O 3.33Å; F473-Y480 PolarHBondContact O-N 2.86Å; F473-L482 HydrophobicContact CE2-CB 3.97Å; F473-L482 HydrophobicContact CE2-CD2 4.28Å; F473-L482 HydrophobicContact CZ-CD2 4.42Å; F473-F715 PolarHBondContact N-OXT 3.16Å
474R95.8Very high95.6Very high104 Ų10428.1 Ų28.139%0.39213%0.131SC..EExtended strand (participates in β ladder)trans-147.2152.5171.368.1-162-166.8106.7-6.4111.6Y478 V479 D712 F715R474-Y478 WeakPolarHBondContact CA-O 3.21Å; R474-V479 HydrophobicContact CB-CG1 4.38Å; R474-D712 WeakPolarHBondContact CB-OD2 3.47Å; R474-D712 WeakPolarHBondContact CD-O 3.26Å; R474-D712 VanDerWaalsContact CD-OD2 3.24Å; R474-D712 WeakPolarHBondContact CD-OD2 3.41Å; R474-D712 IonicContact CZ-OD2 3.55Å; R474-D712 IonicContact NH1-OD1 2.72Å; R474-D712 PolarHBondContact NH1-OD1 3.43Å; R474-D712 IonicContact NH1-OD2 3.36Å; R474-D712 PolarHBondContact NH1-OD2 3.07Å; R474-D712 VanDerWaalsContact NH1-OD2 3.07Å; R474-F715 HydrophobicContact CB-CB 3.99Å; R474-F715 WeakPolarHBondContact CD-O 3.33Å; R474-F715 HydrophobicContact CG-CB 4.39Å
475D95.7Very high95.6Very high53 Ų5325.8 Ų25.828%0.28312%0.119SC..  trans-134.8-168.5164.562.734.1000109.1K439 K477 Y478 Y480K439-D475 WeakPolarHBondContact CE-O 3.19Å; K439-D475 PolarHBondContact NZ-O 3.15Å; D475-K477 PolarHBondContact O-N 3.01Å; D475-K477 WeakPolarHBondContact OD1-CA 3.44Å; D475-K477 PolarHBondContact OD1-N 3.42Å; D475-Y478 PolarHBondContact N-O 3.18Å; D475-Y478 PolarHBondContact OD1-N 3.38Å; D475-Y480 VanDerWaalsContact OD2-CE2 3.31Å; D475-Y480 WeakPolarHBondContact OD2-CE2 3.38Å; D475-Y480 PolarHBondContact OD2-OH 2.95Å
476N95.8Very high95.5Very high86 Ų8625.6 Ų25.646%0.4612%0.119SC..SBendtrans-67.9-13.3-179.7-69.63.5000113.9D706 E707 I708N476-D706 HydrophobicContact CB-CB 4.2Å; N476-D706 WeakPolarHBondContact CB-OD2 3.38Å; N476-D706 PolarHBondContact ND2-OD2 3.45Å; N476-D706 CarbonylContact O-C 3.57Å; N476-D706 WeakPolarHBondContact O-CA 3.42Å; N476-E707 PolarHBondContact O-N 3.31Å; N476-E707 VanDerWaalsContact O-O 3.12Å; N476-I708 HydrophobicContact CB-CG2 4.47Å
477K94.5Very high95.3Very high47 Ų4725.6 Ų25.620%0.20412%0.119CC..SBendtrans-119.1-30.2-168.7-68.7-175.7-176.2-56.90112.9K439 D475 P704 D706K439-K477 PolarHBondContact N-O 3.24Å; D475-K477 PolarHBondContact O-N 3.01Å; D475-K477 WeakPolarHBondContact OD1-CA 3.44Å; D475-K477 PolarHBondContact OD1-N 3.42Å; K477-P704 HydrophobicContact CB-CG 4.07Å; K477-P704 PolarHBondContact NZ-O 2.95Å; K477-D706 WeakPolarHBondContact CE-OD1 3.27Å; K477-D706 WeakPolarHBondContact CG-OD1 3.39Å; K477-D706 IonicContact NZ-OD1 3.45Å; K477-D706 PolarHBondContact NZ-OD1 3.38Å
478Y95.7Very high95.2Very high12 Ų1225.5 Ų25.55%0.04712%0.118CC..EExtended strand (participates in β ladder)trans-137.8153.2-169.1-56-84.4000112.4K436 M437 R438 R474 D475 Y480 P704K436-Y478 HydrophobicContact CD-CD1 4.19Å; K436-Y478 HydrophobicContact CD-CE1 4.24Å; K436-Y478 HydrophobicContact CD-CG 4.45Å; K436-Y478 VanDerWaalsContact CE-CD1 3.49Å; K436-Y478 VanDerWaalsContact CE-CE2 3.4Å; K436-Y478 HydrophobicContact CG-CD1 3.64Å; K436-Y478 HydrophobicContact CG-CE1 4.11Å; K436-Y478 HydrophobicContact CG-CG 3.99Å; M437-Y478 VanDerWaalsContact O-CA 3.22Å; M437-Y478 WeakPolarHBondContact O-CA 3.47Å; R438-Y478 HydrophobicContact CG-CD1 4.09Å; R438-Y478 HydrophobicContact CG-CE1 3.66Å; R474-Y478 WeakPolarHBondContact CA-O 3.21Å; D475-Y478 PolarHBondContact N-O 3.18Å; D475-Y478 PolarHBondContact OD1-N 3.38Å; Y478-Y480 VanDerWaalsContact CB-CZ 3.5Å; Y478-Y480 WeakPolarHBondContact CD2-OH 3.47Å; Y478-P704 HydrophobicContact CE1-CG 3.87Å; Y478-P704 HydrophobicContact CE2-CG 4.15Å; Y478-P704 VanDerWaalsContact CZ-CD 3.47Å; Y478-P704 WeakPolarHBondContact OH-CD 3.24Å
479V96.4Very high95.2Very high0 Ų022.2 Ų22.20%011%0.106CC..EExtended strand (participates in β ladder)trans-108.8148.1158.2-66.10000108.9M437 K439 I442 V451 R474 W711 D712 F715M437-V479 HydrophobicContact CB-CG2 4.01Å; M437-V479 HydrophobicContact CE-CG2 3.87Å; M437-V479 PolarHBondContact N-O 2.98Å; M437-V479 PolarHBondContact O-N 3.33Å; M437-V479 VanDerWaalsContact O-N 3.08Å; K439-V479 HydrophobicContact CG-CG1 4.27Å; I442-V479 HydrophobicContact CD1-CG2 3.96Å; V451-V479 HydrophobicContact CG1-CG2 4.13Å; R474-V479 HydrophobicContact CB-CG1 4.38Å; V479-W711 HydrophobicContact CG1-CH2 4.26Å; V479-W711 HydrophobicContact CG1-CZ2 4.33Å; V479-W711 HydrophobicContact CG2-CH2 4.37Å; V479-D712 HydrophobicContact CG1-CB 3.74Å; V479-F715 HydrophobicContact CB-CD1 3.85Å; V479-F715 HydrophobicContact CB-CE1 4.04Å; V479-F715 HydrophobicContact CB-CG 4.3Å; V479-F715 HydrophobicContact CG1-CD1 4.18Å; V479-F715 HydrophobicContact CG1-CD2 4.4Å; V479-F715 HydrophobicContact CG1-CG 4.12Å; V479-F715 HydrophobicContact CG2-CE1 4.41Å
480Y96.4Very high95.1Very high15 Ų1522.7 Ų22.76%0.05911%0.108CC..EExtended strand (participates in β ladder)trans-130.5134.7-172.5-56.3-96.3000111.2L402 L434 K435 K436 T472 F473 D475 Y478L402-Y480 HydrophobicContact CD1-CD1 4.03Å; L402-Y480 HydrophobicContact CD1-CD2 4.21Å; L402-Y480 HydrophobicContact CD1-CE1 4.18Å; L402-Y480 HydrophobicContact CD1-CE2 4.38Å; L402-Y480 HydrophobicContact CD1-CG 4.04Å; L402-Y480 HydrophobicContact CD2-CD2 4.1Å; L402-Y480 HydrophobicContact CD2-CE1 4.38Å; L402-Y480 HydrophobicContact CD2-CE2 3.61Å; L434-Y480 HydrophobicContact CD1-CD1 4.24Å; L434-Y480 HydrophobicContact CD2-CD1 3.95Å; L434-Y480 HydrophobicContact CD2-CE1 4.46Å; L434-Y480 HydrophobicContact CG-CD1 4.08Å; K435-Y480 CarbonylContact O-C 3.53Å; K435-Y480 VanDerWaalsContact O-CA 3.31Å; K435-Y480 WeakPolarHBondContact O-CA 3.43Å; K436-Y480 HydrophobicContact CB-CD1 3.95Å; K436-Y480 HydrophobicContact CB-CE1 4.01Å; K436-Y480 HydrophobicContact CD-CE1 3.8Å; K436-Y480 HydrophobicContact CG-CD1 3.98Å; K436-Y480 HydrophobicContact CG-CE1 3.55Å; T472-Y480 CarbonylContact C-O 3.59Å; T472-Y480 VanDerWaalsContact CA-O 3.23Å; T472-Y480 WeakPolarHBondContact CA-O 3.47Å; F473-Y480 HydrophobicContact CB-CD2 4.02Å; F473-Y480 HydrophobicContact CB-CG 4.32Å; F473-Y480 PolarHBondContact N-O 3.33Å; F473-Y480 PolarHBondContact O-N 2.86Å; D475-Y480 VanDerWaalsContact OD2-CE2 3.31Å; D475-Y480 WeakPolarHBondContact OD2-CE2 3.38Å; D475-Y480 PolarHBondContact OD2-OH 2.95Å; Y478-Y480 VanDerWaalsContact CB-CZ 3.5Å; Y478-Y480 WeakPolarHBondContact CD2-OH 3.47Å
481L95.5Very high95.3Very high0 Ų022.3 Ų22.30%011%0.105CC..EExtended strand (participates in β ladder)trans-115116169.5-56.7177.8000108.9L434 K435 M437 E454 R455 M458 L469 T472 L483 F715L434-L481 WeakPolarHBondContact CA-O 3.33Å; K435-L481 HydrophobicContact CB-CB 4.21Å; K435-L481 HydrophobicContact CD-CD1 4.26Å; K435-L481 PolarHBondContact N-O 3.35Å; K435-L481 PolarHBondContact O-N 3.04Å; M437-L481 HydrophobicContact CE-CD1 3.92Å; M437-L481 HydrophobicContact CE-CG 4.02Å; E454-L481 HydrophobicContact CG-CD1 4.36Å; R455-L481 HydrophobicContact CB-CD2 4.37Å; M458-L481 HydrophobicContact SD-CD1 4.45Å; L469-L481 HydrophobicContact CD1-CB 3.93Å; L469-L481 HydrophobicContact CD1-CD2 4.07Å; L469-L481 HydrophobicContact CD2-CD2 4.44Å; T472-L481 HydrophobicContact CG2-CD2 3.37Å; L481-L483 HydrophobicContact CB-CD2 4.17Å; L481-L483 HydrophobicContact CB-CG 4.39Å; L481-F715 HydrophobicContact CD2-CD1 4.39Å; L481-F715 HydrophobicContact CD2-CE1 3.73Å
482L96.2Very high95.3Very high0 Ų022.5 Ų22.50%011%0.105CC..EExtended strand (participates in β ladder)trans-89111.1173.9-175.971.2000109.4F397 L400 L405 V422 Y432 L434 C470 K471 F473F397-L482 HydrophobicContact CD1-CD2 4.42Å; L400-L482 HydrophobicContact CD2-CD2 3.65Å; L405-L482 HydrophobicContact CD1-CD1 3.99Å; L405-L482 HydrophobicContact CD2-CD1 4.26Å; V422-L482 HydrophobicContact CG2-CD1 3.73Å; Y432-L482 HydrophobicContact CG-CD1 4.11Å; Y432-L482 HydrophobicContact CG-CG 4.41Å; L434-L482 HydrophobicContact CD1-CB 4.29Å; L434-L482 HydrophobicContact CD1-CD1 4.16Å; C470-L482 WeakPolarHBondContact CA-O 3.39Å; C470-L482 HydrophobicContact CB-CD2 4.21Å; C470-L482 HydrophobicContact CB-CG 4.23Å; C470-L482 VanDerWaalsContact CB-O 3.27Å; C470-L482 WeakPolarHBondContact CB-O 3.36Å; C470-L482 PolarHBondContact N-O 3.37Å; K471-L482 HydrophobicContact CB-CB 4.34Å; K471-L482 HydrophobicContact CB-CD2 4.31Å; K471-L482 PolarHBondContact N-O 3.33Å; K471-L482 WeakPolarHBondContact O-CB 3.48Å; K471-L482 PolarHBondContact O-N 3.22Å; F473-L482 HydrophobicContact CE2-CB 3.97Å; F473-L482 HydrophobicContact CE2-CD2 4.28Å; F473-L482 HydrophobicContact CZ-CD2 4.42Å
483L95.4Very high95.1Very high9 Ų923.2 Ų23.25%0.04711%0.11CC..EExtended strand (participates in β ladder)trans-112.1155.6-172.3-54.1178.5000111Y432 A433 K435 M458 V467 R468 L469 L481Y432-L483 WeakPolarHBondContact CB-O 3.49Å; A433-L483 HydrophobicContact CB-CB 4.29Å; A433-L483 PolarHBondContact N-O 3.18Å; A433-L483 PolarHBondContact O-N 3.1Å; K435-L483 HydrophobicContact CB-CD1 4.43Å; M458-L483 HydrophobicContact CE-CD1 4.35Å; M458-L483 HydrophobicContact CE-CD2 3.39Å; M458-L483 HydrophobicContact CE-CG 4.48Å; M458-L483 HydrophobicContact SD-CD2 4.13Å; V467-L483 HydrophobicContact CG1-CB 3.96Å; V467-L483 HydrophobicContact CG1-CD1 4.35Å; R468-L483 WeakPolarHBondContact O-CA 3.42Å; L469-L483 HydrophobicContact CB-CD2 4.01Å; L469-L483 HydrophobicContact CD1-CD2 3.64Å; L469-L483 HydrophobicContact CG-CD2 4.46Å; L481-L483 HydrophobicContact CB-CD2 4.17Å; L481-L483 HydrophobicContact CB-CG 4.39Å
484E94.2Very high95Very high41 Ų4122.6 Ų22.619%0.19211%0.107CC..EExtended strand (participates in β ladder)trans-59.7143.8162.472.1176.3158.400110.5V467 R468 K544V467-E484 WeakPolarHBondContact CA-OE1 3.32Å; V467-E484 HydrophobicContact CG1-CG 3.91Å; R468-E484 HydrophobicContact CB-CG 4.26Å; R468-E484 PolarHBondContact N-OE1 2.8Å; R468-E484 PolarHBondContact O-N 3.05Å; E484-K544 WeakPolarHBondContact OE1-CD 3.4Å; E484-K544 IonicContact OE1-NZ 2.78Å; E484-K544 PolarHBondContact OE1-NZ 2.99Å; E484-K544 IonicContact OE2-NZ 3.08Å; E484-K544 PolarHBondContact OE2-NZ 2.86Å
485V94.9Very high95Very high29 Ų2917.9 Ų17.918%0.1769%0.09CC..  trans-93.7135.4-179.865.90000111.5L411 L421 T431 A433 L487L411-V485 HydrophobicContact CD1-CG2 4.11Å; L421-V485 HydrophobicContact CD1-CB 4.39Å; L421-V485 HydrophobicContact CD1-CG2 3.73Å; T431-V485 WeakPolarHBondContact O-CG1 3.17Å; A433-V485 HydrophobicContact CB-CB 4.4Å; A433-V485 HydrophobicContact CB-CG2 4.48Å; V485-L487 HydrophobicContact CG1-CG 4.3Å; V485-L487 HydrophobicContact CG2-CD2 3.71Å; V485-L487 HydrophobicContact CG2-CG 4.06Å
486C94.9Very high94.9Very high6 Ų620.8 Ų20.84%0.04110%0.1CC..  trans-110.188.7175.1-68.50000110.4G488 G489 M536 L537 F694C486-G488 PolarHBondContact O-N 3.45Å; C486-G488 VanDerWaalsContact O-N 3.17Å; C486-G489 PolarHBondContact O-N 3.41Å; C486-M536 HydrophobicContact CB-CB 3.58Å; C486-M536 HydrophobicContact CB-CE 4.12Å; C486-M536 HydrophobicContact CB-CG 4.36Å; C486-L537 CarbonylContact C-O 3.52Å; C486-L537 WeakPolarHBondContact CB-O 3.23Å; C486-F694 WeakPolarHBondContact O-CZ 3.25Å
487L94.1Very high94.7Very high2 Ų221.8 Ų21.81%0.0111%0.106CC..THydrogen-bonded Turntrans-72.7-2.7-172.2-65.9173.9000115.3L421 V485 G489 T539 V685 Q688 L691 H693 F694L421-L487 HydrophobicContact CD1-CD2 4.35Å; V485-L487 HydrophobicContact CG1-CG 4.3Å; V485-L487 HydrophobicContact CG2-CD2 3.71Å; V485-L487 HydrophobicContact CG2-CG 4.06Å; L487-G489 PolarHBondContact O-N 3.36Å; L487-T539 HydrophobicContact CB-CG2 4.15Å; L487-V685 HydrophobicContact CB-CG1 4Å; L487-V685 HydrophobicContact CB-CG2 4Å; L487-V685 HydrophobicContact CD1-CG1 3.84Å; L487-Q688 VanDerWaalsContact CD1-OE1 3.32Å; L487-L691 HydrophobicContact CD2-CD2 4.42Å; L487-H693 PolarHBondContact O-ND1 2.93Å; L487-H693 VanDerWaalsContact O-ND1 3.14Å; L487-F694 HydrophobicContact CD2-CE2 4.43Å
488G94.5Very high94.7Very high0 Ų024 Ų240%012%0.115CC..THydrogen-bonded Turntrans-74.8-11.2173.500000113.6C486 L537 R683 H693C486-G488 PolarHBondContact O-N 3.45Å; C486-G488 VanDerWaalsContact O-N 3.17Å; G488-L537 WeakPolarHBondContact CA-O 3.36Å; G488-L537 PolarHBondContact N-O 3.4Å; G488-R683 PolarHBondContact O-NE 3.04Å; G488-R683 PolarHBondContact O-NH2 3.02Å; G488-R683 VanDerWaalsContact O-NH2 3.16Å; G488-H693 WeakPolarHBondContact O-CB 3.43Å
489G93.7Very high94.6Very high0 Ų030.2 Ų30.20%014%0.14CC..EExtended strand (participates in β ladder)trans80.2-170.6-17900000113.2C486 L487 L537C486-G489 PolarHBondContact O-N 3.41Å; L487-G489 PolarHBondContact O-N 3.36Å; G489-L537 PolarHBondContact O-N 3.23Å
490E94Very high94.5Very high23 Ų2334.4 Ų34.411%0.10716%0.158CC..EExtended strand (participates in β ladder)trans-77141.9-178.8-62.1171.9174.600111.5R98 W492 S493 L494 M536R98-E490 IonicContact CZ-OE1 3.98Å; R98-E490 IonicContact CZ-OE2 2.69Å; R98-E490 IonicContact NH1-OE1 3.1Å; R98-E490 PolarHBondContact NH1-OE1 3.04Å; R98-E490 IonicContact NH1-OE2 3.62Å; R98-E490 PolarHBondContact NH1-OE2 3.29Å; R98-E490 IonicContact NH2-OE1 3.79Å; R98-E490 PolarHBondContact NH2-OE1 3.5Å; R98-E490 IonicContact NH2-OE2 3.68Å; R98-E490 PolarHBondContact NH2-OE2 3.3Å; E490-W492 HydrophobicContact CB-CB 4.36Å; E490-W492 PolarHBondContact O-N 3.05Å; E490-S493 PolarHBondContact O-N 2.82Å; E490-L494 PolarHBondContact O-N 2.64Å; E490-M536 HydrophobicContact CG-SD 3.82Å
491L96.6Very high94.5Very high0 Ų033.7 Ų33.70%016%0.155CC..Hα-helixtrans-62.1-32171.2-173.365.8000110.9L494 L495 F501 Y509 I535 L537 L596L491-L494 HydrophobicContact CD1-CD2 4.29Å; L491-L494 PolarHBondContact O-N 2.73Å; L491-L495 WeakPolarHBondContact O-CB 3.36Å; L491-L495 PolarHBondContact O-N 2.89Å; L491-F501 HydrophobicContact CD1-CE2 3.78Å; L491-F501 HydrophobicContact CD1-CZ 4Å; L491-F501 HydrophobicContact CG-CE2 4.29Å; L491-Y509 HydrophobicContact CD1-CD1 4.24Å; L491-Y509 HydrophobicContact CD1-CD2 3.87Å; L491-Y509 HydrophobicContact CD1-CE1 4.15Å; L491-Y509 HydrophobicContact CD1-CE2 3.73Å; L491-Y509 HydrophobicContact CD1-CG 4.09Å; L491-Y509 HydrophobicContact CD2-CG 4.47Å; L491-I535 HydrophobicContact CB-CB 3.89Å; L491-I535 HydrophobicContact CB-CG2 3.97Å; L491-I535 WeakPolarHBondContact CB-O 3.27Å; L491-I535 HydrophobicContact CD2-CB 4.06Å; L491-I535 HydrophobicContact CD2-CD1 3.85Å; L491-I535 HydrophobicContact CD2-CG2 3.83Å; L491-I535 HydrophobicContact CG-CG2 4.49Å; L491-I535 PolarHBondContact N-O 3.05Å; L491-L537 HydrophobicContact CD1-CD1 4.36Å; L491-L537 HydrophobicContact CD1-CD2 4.21Å; L491-L596 HydrophobicContact CD2-CD2 4.14Å
492W94.3Very high94.6Very high26 Ų2637.1 Ų37.110%0.09818%0.176CC..Hα-helixtrans-55.9-50.2173.4-179.583.1000112.8R98 E490 L494 L495 K496 P532 E533R98-W492 HydrophobicContact CB-CH2 4.48Å; R98-W492 HydrophobicContact CB-CZ2 4.09Å; E490-W492 HydrophobicContact CB-CB 4.36Å; E490-W492 PolarHBondContact O-N 3.05Å; W492-L494 VanDerWaalsContact C-N 3.29Å; W492-L494 PolarHBondContact O-N 3.31Å; W492-L495 PolarHBondContact O-N 3.49Å; W492-L495 VanDerWaalsContact O-N 3.16Å; W492-K496 HydrophobicContact CH2-CD 3.88Å; W492-K496 HydrophobicContact CZ2-CD 4.2Å; W492-K496 HydrophobicContact CZ3-CD 4.23Å; W492-K496 WeakPolarHBondContact O-CB 3.37Å; W492-K496 PolarHBondContact O-N 3Å; W492-P532 HydrophobicContact CB-CB 3.84Å; W492-P532 PolarHBondContact N-O 3.16Å; W492-P532 VanDerWaalsContact N-O 3.16Å; W492-E533 HydrophobicContact CB-CG 4Å; W492-E533 HydrophobicContact CD2-CG 4.46Å; W492-E533 HydrophobicContact CG-CG 3.85Å
493S92.3Very high94.6Very high17 Ų1738.9 Ų38.912%0.11918%0.184CC..Hα-helixtrans-61.7-40.7178.4-59.40000111.1E490 K496 D497E490-S493 PolarHBondContact O-N 2.82Å; S493-K496 PolarHBondContact O-N 3.28Å; S493-D497 VanDerWaalsContact O-CG 3.29Å; S493-D497 PolarHBondContact O-N 2.77Å
494L94.8Very high94.6Very high4 Ų444.7 Ų44.72%0.02121%0.211CC..Hα-helixtrans-64.1-41.5174.9-179.462.6000112.4E490 L491 W492 K496 D497 K498 F501 Y509 L537 Y681E490-L494 PolarHBondContact O-N 2.64Å; L491-L494 HydrophobicContact CD1-CD2 4.29Å; L491-L494 PolarHBondContact O-N 2.73Å; W492-L494 VanDerWaalsContact C-N 3.29Å; W492-L494 PolarHBondContact O-N 3.31Å; L494-K496 VanDerWaalsContact C-N 3.35Å; L494-D497 PolarHBondContact O-N 3.05Å; L494-K498 HydrophobicContact CD1-CG 4.13Å; L494-K498 WeakPolarHBondContact O-CB 3.18Å; L494-K498 VanDerWaalsContact O-CG 3.3Å; L494-K498 WeakPolarHBondContact O-CG 3.27Å; L494-K498 PolarHBondContact O-N 3.4Å; L494-F501 HydrophobicContact CB-CZ 4.37Å; L494-F501 HydrophobicContact CD2-CE1 4.45Å; L494-F501 HydrophobicContact CD2-CZ 4.08Å; L494-F501 HydrophobicContact CG-CE1 4.02Å; L494-F501 HydrophobicContact CG-CZ 3.87Å; L494-Y509 HydrophobicContact CD2-CE2 4.41Å; L494-Y509 WeakPolarHBondContact CD2-OH 3.18Å; L494-L537 HydrophobicContact CB-CD1 4.27Å; L494-L537 HydrophobicContact CD2-CD1 3.62Å; L494-Y681 HydrophobicContact CD1-CG 4.46Å; L494-Y681 HydrophobicContact CD2-CD2 3.81Å; L494-Y681 HydrophobicContact CD2-CG 4.11Å; L494-Y681 HydrophobicContact CG-CD2 4.49Å
495L95.6Very high94.8Very high6 Ų642.8 Ų42.83%0.03120%0.203CC..Hα-helixtrans-62.9-44.4177179.765000110.7L491 W492 D497 K498 Y499 F501 P532 E595 L596L491-L495 WeakPolarHBondContact O-CB 3.36Å; L491-L495 PolarHBondContact O-N 2.89Å; W492-L495 PolarHBondContact O-N 3.49Å; W492-L495 VanDerWaalsContact O-N 3.16Å; L495-D497 VanDerWaalsContact C-N 3.34Å; L495-D497 PolarHBondContact O-N 3.16Å; L495-K498 CarbonylContact O-C 3.57Å; L495-K498 PolarHBondContact O-N 2.97Å; L495-K498 VanDerWaalsContact O-N 3.16Å; L495-Y499 CarbonylContact O-C 3.33Å; L495-Y499 WeakPolarHBondContact O-CA 3.41Å; L495-Y499 PolarHBondContact O-N 3.43Å; L495-F501 HydrophobicContact CB-CE1 4.38Å; L495-F501 HydrophobicContact CB-CE2 4.41Å; L495-F501 HydrophobicContact CB-CZ 3.93Å; L495-F501 HydrophobicContact CD1-CD1 4.17Å; L495-F501 HydrophobicContact CD1-CD2 4.21Å; L495-F501 HydrophobicContact CD1-CE1 4.11Å; L495-F501 HydrophobicContact CD1-CE2 4.13Å; L495-F501 HydrophobicContact CD1-CG 4.23Å; L495-F501 HydrophobicContact CD1-CZ 4.08Å; L495-P532 HydrophobicContact CD2-CG 4.32Å; L495-E595 HydrophobicContact CD2-CG 4.05Å; L495-L596 HydrophobicContact CD1-CD2 4.28Å; L495-L596 HydrophobicContact CD2-CD2 4.09Å
496K92.7Very high95Very high113 Ų11341.4 Ų41.449%0.49119%0.194SC..Hα-helixtrans-59.3-44.5176.7-174.9-176.8175.8-170.70111.8W492 S493 L494 K498 Y499W492-K496 HydrophobicContact CH2-CD 3.88Å; W492-K496 HydrophobicContact CZ2-CD 4.2Å; W492-K496 HydrophobicContact CZ3-CD 4.23Å; W492-K496 WeakPolarHBondContact O-CB 3.37Å; W492-K496 PolarHBondContact O-N 3Å; S493-K496 PolarHBondContact O-N 3.28Å; L494-K496 VanDerWaalsContact C-N 3.35Å; K496-K498 VanDerWaalsContact C-N 3.29Å; K496-K498 PolarHBondContact O-N 3.33Å; K496-Y499 PolarHBondContact O-N 3.1Å
497D91.8Very high95.1Very high108 Ų10842.6 Ų42.658%0.57820%0.199SC*.Hα-helixtrans-65.2-32.4177.1-72.5-13.1000112.7S493 L494 L495S493-D497 VanDerWaalsContact O-CG 3.29Å; S493-D497 PolarHBondContact O-N 2.77Å; L494-D497 PolarHBondContact O-N 3.05Å; L495-D497 VanDerWaalsContact C-N 3.34Å; L495-D497 PolarHBondContact O-N 3.16Å
498K94.1Very high95.3Very high93 Ų9342.8 Ų42.840%0.40420%0.2SC..Hα-helixtrans-92.7-9.4-180-63.6-58.5-178.7-172.20114L494 L495 K496 F500 F501 Y681L494-K498 HydrophobicContact CD1-CG 4.13Å; L494-K498 WeakPolarHBondContact O-CB 3.18Å; L494-K498 VanDerWaalsContact O-CG 3.3Å; L494-K498 WeakPolarHBondContact O-CG 3.27Å; L494-K498 PolarHBondContact O-N 3.4Å; L495-K498 CarbonylContact O-C 3.57Å; L495-K498 PolarHBondContact O-N 2.97Å; L495-K498 VanDerWaalsContact O-N 3.16Å; K496-K498 VanDerWaalsContact C-N 3.29Å; K496-K498 PolarHBondContact O-N 3.33Å; K498-F500 PolarHBondContact O-N 3.41Å; K498-F501 HydrophobicContact CB-CD1 3.93Å; K498-F501 HydrophobicContact CB-CE1 3.77Å; K498-F501 HydrophobicContact CG-CD1 4.26Å; K498-F501 HydrophobicContact CG-CE1 3.87Å; K498-Y681 HydrophobicContact CD-CE1 4.21Å; K498-Y681 HydrophobicContact CG-CE1 4.44Å
499Y93.6Very high95.5Very high142 Ų14242.8 Ų42.856%0.55720%0.2SC*.SBendtrans62.6-42.2-168-54.7-83.4000114.6V93 L495 K496 G599V93-Y499 HydrophobicContact CG1-CD1 3.65Å; V93-Y499 HydrophobicContact CG1-CE1 3.79Å; L495-Y499 CarbonylContact O-C 3.33Å; L495-Y499 WeakPolarHBondContact O-CA 3.41Å; L495-Y499 PolarHBondContact O-N 3.43Å; K496-Y499 PolarHBondContact O-N 3.1Å; Y499-G599 WeakPolarHBondContact O-CA 3.4Å
500F94.8Very high95.7Very high89 Ų8942.8 Ų42.839%0.3920%0.2SC..SBendtrans-159.5163.7176.750.2-104.8000108.9K498 R627K498-F500 PolarHBondContact O-N 3.41Å; F500-R627 VanDerWaalsContact CD2-CZ 3.5Å; F500-R627 VanDerWaalsContact CE2-NH1 3.31Å
501F96.9Very high95.9Very high0 Ų041.7 Ų41.70%020%0.195CC..  trans-101.5155.4174.2-63-24.4000112.6L491 L494 L495 K498 A505 T506 Y509 L596 Y681L491-F501 HydrophobicContact CD1-CE2 3.78Å; L491-F501 HydrophobicContact CD1-CZ 4Å; L491-F501 HydrophobicContact CG-CE2 4.29Å; L494-F501 HydrophobicContact CB-CZ 4.37Å; L494-F501 HydrophobicContact CD2-CE1 4.45Å; L494-F501 HydrophobicContact CD2-CZ 4.08Å; L494-F501 HydrophobicContact CG-CE1 4.02Å; L494-F501 HydrophobicContact CG-CZ 3.87Å; L495-F501 HydrophobicContact CB-CE1 4.38Å; L495-F501 HydrophobicContact CB-CE2 4.41Å; L495-F501 HydrophobicContact CB-CZ 3.93Å; L495-F501 HydrophobicContact CD1-CD1 4.17Å; L495-F501 HydrophobicContact CD1-CD2 4.21Å; L495-F501 HydrophobicContact CD1-CE1 4.11Å; L495-F501 HydrophobicContact CD1-CE2 4.13Å; L495-F501 HydrophobicContact CD1-CG 4.23Å; L495-F501 HydrophobicContact CD1-CZ 4.08Å; K498-F501 HydrophobicContact CB-CD1 3.93Å; K498-F501 HydrophobicContact CB-CE1 3.77Å; K498-F501 HydrophobicContact CG-CD1 4.26Å; K498-F501 HydrophobicContact CG-CE1 3.87Å; F501-A505 HydrophobicContact CB-CB 4.12Å; F501-T506 WeakPolarHBondContact CB-OG1 3.34Å; F501-Y509 AromaticContact CD2-CD2 3.71Å; F501-Y509 HydrophobicContact CD2-CD2 3.71Å; F501-Y509 AromaticContact CD2-CE2 3.88Å; F501-Y509 HydrophobicContact CD2-CE2 3.88Å; F501-Y509 AromaticContact CE2-CD2 3.57Å; F501-Y509 HydrophobicContact CE2-CD2 3.57Å; F501-Y509 AromaticContact CE2-CE2 3.53Å; F501-Y509 HydrophobicContact CE2-CE2 3.53Å; F501-Y509 HydrophobicContact CZ-CD2 4.47Å; F501-Y509 AromaticContact CZ-CE2 3.99Å; F501-Y509 HydrophobicContact CZ-CE2 3.99Å; F501-L596 WeakPolarHBondContact CB-O 3.31Å; F501-L596 HydrophobicContact CD2-CB 4.17Å; F501-L596 HydrophobicContact CD2-CD1 4.48Å; F501-L596 HydrophobicContact CD2-CD2 3.88Å; F501-L596 HydrophobicContact CD2-CG 4.39Å; F501-L596 HydrophobicContact CE2-CD2 3.74Å; F501-L596 PolarHBondContact N-O 3.2Å; F501-Y681 AromaticContact CD1-CE2 3.64Å; F501-Y681 HydrophobicContact CD1-CE2 3.64Å; F501-Y681 HydrophobicContact CE1-CD2 4.41Å; F501-Y681 AromaticContact CE1-CE2 3.79Å; F501-Y681 HydrophobicContact CE1-CE2 3.79Å; F501-Y681 HydrophobicContact CG-CE2 4.21Å; F501-Y681 HydrophobicContact CZ-CE2 4.47Å
502T96.8Very high96Very high71 Ų7141.8 Ų41.844%0.43620%0.195SC..  trans-70.6154.9166.256.70000110Q504 A505 T506T502-Q504 VanDerWaalsContact C-N 3.26Å; T502-Q504 PolarHBondContact O-N 3.19Å; T502-Q504 VanDerWaalsContact O-N 3.16Å; T502-A505 PolarHBondContact O-N 3.27Å; T502-A505 WeakPolarHBondContact OG1-CB 3.21Å; T502-A505 PolarHBondContact OG1-N 3.34Å; T502-T506 PolarHBondContact O-N 2.97Å; T502-T506 PolarHBondContact O-OG1 3.43Å
503E96.2Very high96.2Very high37 Ų3740.6 Ų40.617%0.17319%0.191CC..Hα-helixtrans-46.5-46.7174.9-69.5-83.1-160.600112.8A505 T506 Q507 L597 S629 W663E503-A505 PolarHBondContact O-N 2.99Å; E503-T506 PolarHBondContact O-N 3.46Å; E503-Q507 VanDerWaalsContact O-CG 3.29Å; E503-Q507 WeakPolarHBondContact O-CG 3.36Å; E503-Q507 PolarHBondContact O-N 2.95Å; E503-L597 HydrophobicContact CG-CD2 4.27Å; E503-S629 WeakPolarHBondContact OE1-CB 3.41Å; E503-S629 PolarHBondContact OE1-N 3.44Å; E503-S629 PolarHBondContact OE1-OG 3Å; E503-W663 VanDerWaalsContact OE2-CE2 3.26Å; E503-W663 VanDerWaalsContact OE2-CZ2 3.29Å; E503-W663 WeakPolarHBondContact OE2-CZ2 3.3Å; E503-W663 PolarHBondContact OE2-NE1 3.07Å
504Q96.7Very high96.4Very high131 Ų13139.9 Ų39.961%0.61219%0.186SC*.Hα-helixtrans-65-41.3-179-63.780.47.200113.1T502 Q507 F508T502-Q504 VanDerWaalsContact C-N 3.26Å; T502-Q504 PolarHBondContact O-N 3.19Å; T502-Q504 VanDerWaalsContact O-N 3.16Å; Q504-Q507 PolarHBondContact O-N 3.35Å; Q504-F508 PolarHBondContact O-N 3.48Å
505A97.8Very high96.5Very high1 Ų140.6 Ų40.61%0.00819%0.189CC..Hα-helixtrans-67.6-41.4176.800000111.3F501 T502 E503 F508 Y509 P680 Y681F501-A505 HydrophobicContact CB-CB 4.12Å; T502-A505 PolarHBondContact O-N 3.27Å; T502-A505 WeakPolarHBondContact OG1-CB 3.21Å; T502-A505 PolarHBondContact OG1-N 3.34Å; E503-A505 PolarHBondContact O-N 2.99Å; A505-F508 PolarHBondContact O-N 2.96Å; A505-Y509 WeakPolarHBondContact O-CD2 3.47Å; A505-Y509 PolarHBondContact O-N 3.45Å; A505-P680 HydrophobicContact CB-CB 3.62Å; A505-P680 HydrophobicContact CB-CG 3.87Å; A505-Y681 HydrophobicContact CB-CD2 4.48Å; A505-Y681 HydrophobicContact CB-CE2 3.73Å
506T98.2Very high96.6Very high0 Ų040.3 Ų40.30%019%0.188CC..Hα-helixtrans-61.6-45.3174.4-56.80000111.5F501 T502 E503 F508 Y509 V510 L593 L596 L597 W663F501-T506 WeakPolarHBondContact CB-OG1 3.34Å; T502-T506 PolarHBondContact O-N 2.97Å; T502-T506 PolarHBondContact O-OG1 3.43Å; E503-T506 PolarHBondContact O-N 3.46Å; T506-F508 VanDerWaalsContact C-N 3.31Å; T506-F508 PolarHBondContact O-N 3.23Å; T506-Y509 PolarHBondContact O-N 2.91Å; T506-V510 HydrophobicContact CG2-CG2 3.92Å; T506-V510 WeakPolarHBondContact O-CB 3.39Å; T506-V510 VanDerWaalsContact O-CG2 3.28Å; T506-V510 WeakPolarHBondContact O-CG2 3.45Å; T506-V510 PolarHBondContact O-N 3.44Å; T506-L593 HydrophobicContact CG2-CD1 3.65Å; T506-L596 HydrophobicContact CG2-CB 3.79Å; T506-L596 HydrophobicContact CG2-CD1 4.17Å; T506-L597 HydrophobicContact CG2-CD1 4.35Å; T506-L597 HydrophobicContact CG2-CD2 4.07Å; T506-L597 HydrophobicContact CG2-CG 3.85Å; T506-L597 WeakPolarHBondContact OG1-CD2 3.39Å; T506-W663 HydrophobicContact CG2-CH2 3.79Å; T506-W663 HydrophobicContact CG2-CZ2 4.11Å
507Q98.1Very high96.9Very high32 Ų3234.9 Ų34.915%0.1516%0.164CC..Hα-helixtrans-54.4-47.6175.9-76.3169.7-31.200111.2E503 Q504 Y509 A511 W663 F664 F667E503-Q507 VanDerWaalsContact O-CG 3.29Å; E503-Q507 WeakPolarHBondContact O-CG 3.36Å; E503-Q507 PolarHBondContact O-N 2.95Å; Q504-Q507 PolarHBondContact O-N 3.35Å; Q507-Y509 PolarHBondContact O-N 3.38Å; Q507-A511 WeakPolarHBondContact O-CB 3.29Å; Q507-A511 PolarHBondContact O-N 2.93Å; Q507-W663 HydrophobicContact CB-CH2 4.1Å; Q507-W663 HydrophobicContact CB-CZ3 4.4Å; Q507-W663 HydrophobicContact CG-CD2 4.24Å; Q507-W663 HydrophobicContact CG-CE3 4.13Å; Q507-W663 HydrophobicContact CG-CH2 3.49Å; Q507-W663 VanDerWaalsContact CG-CH2 3.49Å; Q507-W663 HydrophobicContact CG-CZ2 3.59Å; Q507-W663 HydrophobicContact CG-CZ3 3.78Å; Q507-W663 PolarHBondContact NE2-O 3.33Å; Q507-F664 HydrophobicContact CB-CD1 4.38Å; Q507-F664 HydrophobicContact CB-CE1 3.98Å; Q507-F664 HydrophobicContact CG-CD1 4.33Å; Q507-F664 HydrophobicContact CG-CE1 4.22Å; Q507-F664 WeakPolarHBondContact O-CE1 3.41Å; Q507-F667 HydrophobicContact CB-CD2 3.95Å; Q507-F667 HydrophobicContact CB-CE2 4.04Å
508F98.4Very high97Very high6 Ų630.1 Ų30.13%0.02614%0.138CC..Hα-helixtrans-58.8-47.1179.6-178.2-86.5000112.4Q504 A505 T506 A511 C512 Y542 F667 L672 L677 A679 P680Q504-F508 PolarHBondContact O-N 3.48Å; A505-F508 PolarHBondContact O-N 2.96Å; T506-F508 VanDerWaalsContact C-N 3.31Å; T506-F508 PolarHBondContact O-N 3.23Å; F508-A511 PolarHBondContact O-N 3.23Å; F508-C512 PolarHBondContact O-N 3.14Å; F508-C512 VanDerWaalsContact O-N 3.12Å; F508-C512 PolarHBondContact O-SG 3.44Å; F508-Y542 HydrophobicContact CE2-CE1 4.24Å; F508-Y542 HydrophobicContact CE2-CE2 4.45Å; F508-Y542 AromaticContact CZ-CD1 3.91Å; F508-Y542 HydrophobicContact CZ-CD1 3.91Å; F508-Y542 AromaticContact CZ-CD2 4Å; F508-Y542 HydrophobicContact CZ-CD2 4Å; F508-Y542 AromaticContact CZ-CE1 3.82Å; F508-Y542 HydrophobicContact CZ-CE1 3.82Å; F508-Y542 AromaticContact CZ-CE2 3.88Å; F508-Y542 HydrophobicContact CZ-CE2 3.88Å; F508-Y542 AromaticContact CZ-CG 4Å; F508-Y542 HydrophobicContact CZ-CG 4Å; F508-Y542 AromaticContact CZ-CZ 3.78Å; F508-F667 HydrophobicContact CB-CE2 4.42Å; F508-L672 HydrophobicContact CD2-CD1 4.02Å; F508-L672 HydrophobicContact CE2-CD1 3.68Å; F508-L672 HydrophobicContact CZ-CD1 4.08Å; F508-L677 HydrophobicContact CD2-CD2 3.8Å; F508-L677 HydrophobicContact CD2-CG 4.25Å; F508-L677 HydrophobicContact CE2-CB 4.38Å; F508-L677 HydrophobicContact CE2-CD2 4.02Å; F508-L677 HydrophobicContact CE2-CG 4.16Å; F508-A679 HydrophobicContact CE1-CB 3.93Å; F508-A679 HydrophobicContact CE2-CB 4.4Å; F508-A679 HydrophobicContact CZ-CB 3.74Å; F508-P680 HydrophobicContact CB-CG 4.1Å; F508-P680 HydrophobicContact CD1-CG 4.04Å; F508-P680 VanDerWaalsContact CG-CD 3.46Å; F508-P680 HydrophobicContact CG-CG 4.15Å
509Y98.5Very high97.1Very high0 Ų027.1 Ų27.10%013%0.125CC..Hα-helixtrans-72.2-42.4-178.4-64.2-42.7000113.1L491 L494 F501 A505 T506 Q507 A511 C512 V513 L537 C543 P680 Y681L491-Y509 HydrophobicContact CD1-CD1 4.24Å; L491-Y509 HydrophobicContact CD1-CD2 3.87Å; L491-Y509 HydrophobicContact CD1-CE1 4.15Å; L491-Y509 HydrophobicContact CD1-CE2 3.73Å; L491-Y509 HydrophobicContact CD1-CG 4.09Å; L491-Y509 HydrophobicContact CD2-CG 4.47Å; L494-Y509 HydrophobicContact CD2-CE2 4.41Å; L494-Y509 WeakPolarHBondContact CD2-OH 3.18Å; F501-Y509 AromaticContact CD2-CD2 3.71Å; F501-Y509 HydrophobicContact CD2-CD2 3.71Å; F501-Y509 AromaticContact CD2-CE2 3.88Å; F501-Y509 HydrophobicContact CD2-CE2 3.88Å; F501-Y509 AromaticContact CE2-CD2 3.57Å; F501-Y509 HydrophobicContact CE2-CD2 3.57Å; F501-Y509 AromaticContact CE2-CE2 3.53Å; F501-Y509 HydrophobicContact CE2-CE2 3.53Å; F501-Y509 HydrophobicContact CZ-CD2 4.47Å; F501-Y509 AromaticContact CZ-CE2 3.99Å; F501-Y509 HydrophobicContact CZ-CE2 3.99Å; A505-Y509 WeakPolarHBondContact O-CD2 3.47Å; A505-Y509 PolarHBondContact O-N 3.45Å; T506-Y509 PolarHBondContact O-N 2.91Å; Q507-Y509 PolarHBondContact O-N 3.38Å; Y509-A511 VanDerWaalsContact C-N 3.26Å; Y509-A511 PolarHBondContact O-N 3Å; Y509-C512 WeakPolarHBondContact O-CB 3.1Å; Y509-C512 PolarHBondContact O-N 2.86Å; Y509-V513 WeakPolarHBondContact O-CG2 3.3Å; Y509-V513 PolarHBondContact O-N 3.46Å; Y509-V513 VanDerWaalsContact O-N 3.09Å; Y509-L537 HydrophobicContact CE1-CD2 3.82Å; Y509-C543 WeakPolarHBondContact CD1-SG 3.3Å; Y509-P680 HydrophobicContact CE1-CG 4.26Å; Y509-P680 HydrophobicContact CE2-CG 4.1Å; Y509-Y681 AromaticContact CE2-CD2 3.89Å; Y509-Y681 HydrophobicContact CE2-CD2 3.89Å; Y509-Y681 HydrophobicContact CE2-CE2 4.24Å; Y509-Y681 WeakPolarHBondContact OH-CD2 3.32Å
510V98.3Very high97.2Very high0 Ų020.4 Ų20.40%010%0.098CC..Hα-helixtrans-61-39.4173.8172.70000110.2T506 V513 V514 L589 L593 L596 W663 F664T506-V510 HydrophobicContact CG2-CG2 3.92Å; T506-V510 WeakPolarHBondContact O-CB 3.39Å; T506-V510 VanDerWaalsContact O-CG2 3.28Å; T506-V510 WeakPolarHBondContact O-CG2 3.45Å; T506-V510 PolarHBondContact O-N 3.44Å; V510-V513 PolarHBondContact O-N 3.19Å; V510-V514 HydrophobicContact CG1-CG2 4.33Å; V510-V514 VanDerWaalsContact O-CG2 3.29Å; V510-V514 WeakPolarHBondContact O-CG2 3.35Å; V510-V514 PolarHBondContact O-N 3.39Å; V510-L589 HydrophobicContact CG1-CD1 4.02Å; V510-L593 HydrophobicContact CG2-CB 4.32Å; V510-L593 HydrophobicContact CG2-CD1 3.96Å; V510-L596 HydrophobicContact CG2-CD1 4.21Å; V510-W663 HydrophobicContact CB-CZ3 4.37Å; V510-W663 HydrophobicContact CG1-CZ3 4.31Å; V510-F664 HydrophobicContact CB-CZ 4.24Å; V510-F664 HydrophobicContact CG1-CE2 4.34Å; V510-F664 HydrophobicContact CG1-CZ 3.83Å
511A98.1Very high97.1Very high0 Ų017 Ų170%08%0.084CC..Hα-helixtrans-64.3-40.9177.100000112.8Q507 F508 Y509 V513 V514 E515 F664 F667 W669 L672Q507-A511 WeakPolarHBondContact O-CB 3.29Å; Q507-A511 PolarHBondContact O-N 2.93Å; F508-A511 PolarHBondContact O-N 3.23Å; Y509-A511 VanDerWaalsContact C-N 3.26Å; Y509-A511 PolarHBondContact O-N 3Å; A511-V513 VanDerWaalsContact C-N 3.32Å; A511-V513 PolarHBondContact O-N 2.84Å; A511-V514 PolarHBondContact O-N 3.17Å; A511-E515 PolarHBondContact O-N 3.1Å; A511-F664 HydrophobicContact CB-CE1 4.05Å; A511-F664 HydrophobicContact CB-CZ 4.49Å; A511-F667 HydrophobicContact CB-CD1 4.44Å; A511-F667 HydrophobicContact CB-CE1 3.5Å; A511-F667 VanDerWaalsContact CB-CE1 3.5Å; A511-F667 HydrophobicContact CB-CE2 4.39Å; A511-F667 HydrophobicContact CB-CZ 3.47Å; A511-F667 VanDerWaalsContact CB-CZ 3.47Å; A511-W669 HydrophobicContact CB-CE3 4.21Å; A511-W669 HydrophobicContact CB-CH2 3.57Å; A511-W669 HydrophobicContact CB-CZ2 4.25Å; A511-W669 HydrophobicContact CB-CZ3 3.55Å; A511-L672 HydrophobicContact CB-CD2 3.56Å
512C98Very high96.8Very high1 Ų121.9 Ų21.91%0.00710%0.102CC..Hα-helixtrans-59.6-44.1172.9-65.40000111.7F465 F508 Y509 V514 E515 A516 C543F465-C512 HydrophobicContact CD1-CB 3.88Å; F465-C512 HydrophobicContact CE1-CB 4.26Å; F508-C512 PolarHBondContact O-N 3.14Å; F508-C512 VanDerWaalsContact O-N 3.12Å; F508-C512 PolarHBondContact O-SG 3.44Å; Y509-C512 WeakPolarHBondContact O-CB 3.1Å; Y509-C512 PolarHBondContact O-N 2.86Å; C512-V514 VanDerWaalsContact C-N 3.34Å; C512-E515 PolarHBondContact O-N 2.63Å; C512-A516 PolarHBondContact O-N 2.89Å; C512-A516 VanDerWaalsContact O-N 3.16Å; C512-C543 HydrophobicContact CB-CB 3.62Å
513V98.3Very high96.5Very high2 Ų222 Ų221%0.01210%0.097CC..Hα-helixtrans-65.7-38.6178.31740000111.1Y509 V510 A511 E515 A516 L517 L530 I535 L545 L589 L592Y509-V513 WeakPolarHBondContact O-CG2 3.3Å; Y509-V513 PolarHBondContact O-N 3.46Å; Y509-V513 VanDerWaalsContact O-N 3.09Å; V510-V513 PolarHBondContact O-N 3.19Å; A511-V513 VanDerWaalsContact C-N 3.32Å; A511-V513 PolarHBondContact O-N 2.84Å; V513-E515 PolarHBondContact O-N 3.43Å; V513-A516 PolarHBondContact O-N 3.32Å; V513-L517 HydrophobicContact CG1-CD1 3.82Å; V513-L517 HydrophobicContact CG1-CG 4.1Å; V513-L517 WeakPolarHBondContact O-CB 3.34Å; V513-L517 WeakPolarHBondContact O-CG 3.24Å; V513-L517 PolarHBondContact O-N 3.43Å; V513-L530 HydrophobicContact CG1-CD1 3.66Å; V513-L530 HydrophobicContact CG1-CD2 3.91Å; V513-L530 HydrophobicContact CG1-CG 4.44Å; V513-I535 HydrophobicContact CG2-CD1 3.79Å; V513-I535 HydrophobicContact CG2-CG1 4.33Å; V513-L545 HydrophobicContact CG1-CD2 4.5Å; V513-L545 HydrophobicContact CG2-CD2 4.33Å; V513-L589 HydrophobicContact CB-CD1 4.28Å; V513-L589 HydrophobicContact CG1-CD1 3.74Å; V513-L592 HydrophobicContact CB-CD2 4.43Å; V513-L592 HydrophobicContact CG1-CD2 4.23Å; V513-L592 HydrophobicContact CG2-CD2 3.97Å
514V97.6Very high96.1Very high1 Ų121 Ų211%0.0069%0.092CC..Hα-helixtrans-60.4-43.9175166.30000111.3V510 A511 C512 A516 L517 D518 L589 L655 I658 W669V510-V514 HydrophobicContact CG1-CG2 4.33Å; V510-V514 VanDerWaalsContact O-CG2 3.29Å; V510-V514 WeakPolarHBondContact O-CG2 3.35Å; V510-V514 PolarHBondContact O-N 3.39Å; A511-V514 PolarHBondContact O-N 3.17Å; C512-V514 VanDerWaalsContact C-N 3.34Å; V514-A516 VanDerWaalsContact C-N 3.32Å; V514-A516 PolarHBondContact O-N 3.05Å; V514-L517 PolarHBondContact O-N 3.32Å; V514-D518 WeakPolarHBondContact O-CB 3.2Å; V514-D518 PolarHBondContact O-N 3.41Å; V514-L589 HydrophobicContact CG2-CD1 4.47Å; V514-L589 HydrophobicContact CG2-CD2 3.67Å; V514-L655 HydrophobicContact CB-CD2 4.31Å; V514-L655 HydrophobicContact CG1-CD2 4.17Å; V514-L655 HydrophobicContact CG1-CG 4.12Å; V514-L655 HydrophobicContact CG2-CD2 4.26Å; V514-L655 HydrophobicContact CG2-CG 4.41Å; V514-I658 HydrophobicContact CG2-CD1 4.08Å; V514-I658 HydrophobicContact CG2-CG2 4.28Å; V514-W669 HydrophobicContact CB-CH2 4.28Å; V514-W669 HydrophobicContact CB-CZ3 4.37Å; V514-W669 HydrophobicContact CG1-CH2 4.12Å; V514-W669 HydrophobicContact CG1-CZ3 4.15Å
515E96.5Very high96Very high19 Ų1915 Ų159%0.0897%0.065CC..Hα-helixtrans-61.9-40.3176-68.1-68.6147.500112.2F465 A511 C512 V513 Y519 L672 R673F465-E515 HydrophobicContact CB-CB 4.49Å; F465-E515 HydrophobicContact CD2-CB 3.36Å; F465-E515 HydrophobicContact CD2-CG 4.1Å; F465-E515 HydrophobicContact CE2-CB 3.56Å; F465-E515 HydrophobicContact CE2-CG 3.75Å; F465-E515 HydrophobicContact CG-CB 3.9Å; F465-E515 HydrophobicContact CZ-CB 4.23Å; F465-E515 HydrophobicContact CZ-CG 4.09Å; A511-E515 PolarHBondContact O-N 3.1Å; C512-E515 PolarHBondContact O-N 2.63Å; V513-E515 PolarHBondContact O-N 3.43Å; E515-Y519 WeakPolarHBondContact O-CB 3.36Å; E515-Y519 PolarHBondContact O-N 3.22Å; E515-Y519 VanDerWaalsContact O-N 3.16Å; E515-L672 HydrophobicContact CG-CD2 4.2Å; E515-R673 IonicContact OE1-CZ 2.65Å; E515-R673 IonicContact OE1-NE 3.09Å; E515-R673 PolarHBondContact OE1-NE 2.83Å; E515-R673 IonicContact OE1-NH2 2.7Å; E515-R673 PolarHBondContact OE1-NH2 3.2Å; E515-R673 IonicContact OE2-NE 3.77Å; E515-R673 PolarHBondContact OE2-NE 2.79Å; E515-R673 IonicContact OE2-NH2 3.49Å
516A97.5Very high96Very high0 Ų015 Ų150%06%0.064CC..Hα-helixtrans-66.6-48.9177.900000112.3F465 I466 C512 V513 V514 Y519 L520 L545F465-A516 HydrophobicContact CB-CB 3.84Å; F465-A516 WeakPolarHBondContact O-CB 3.39Å; I466-A516 HydrophobicContact CD1-CB 4.44Å; I466-A516 HydrophobicContact CG1-CB 3.85Å; C512-A516 PolarHBondContact O-N 2.89Å; C512-A516 VanDerWaalsContact O-N 3.16Å; V513-A516 PolarHBondContact O-N 3.32Å; V514-A516 VanDerWaalsContact C-N 3.32Å; V514-A516 PolarHBondContact O-N 3.05Å; A516-Y519 WeakPolarHBondContact O-CB 3.12Å; A516-Y519 PolarHBondContact O-N 3.05Å; A516-L520 WeakPolarHBondContact O-CG 3.43Å; A516-L520 PolarHBondContact O-N 3.33Å; A516-L520 VanDerWaalsContact O-N 3.11Å; A516-L545 HydrophobicContact CB-CB 4.45Å; A516-L545 HydrophobicContact CB-CD1 3.51Å; A516-L545 HydrophobicContact CB-CG 3.7Å
517L97.8Very high96Very high0 Ų015 Ų150%06%0.064CC..Hα-helixtrans-67-41.3179.4-70.9178.7000111.8V513 V514 Y519 L520 H521 Y527 L530 L545 D585 L655V513-L517 HydrophobicContact CG1-CD1 3.82Å; V513-L517 HydrophobicContact CG1-CG 4.1Å; V513-L517 WeakPolarHBondContact O-CB 3.34Å; V513-L517 WeakPolarHBondContact O-CG 3.24Å; V513-L517 PolarHBondContact O-N 3.43Å; V514-L517 PolarHBondContact O-N 3.32Å; L517-Y519 VanDerWaalsContact C-N 3.27Å; L517-Y519 PolarHBondContact O-N 3.42Å; L517-L520 PolarHBondContact O-N 3.42Å; L517-L520 VanDerWaalsContact O-N 3.15Å; L517-H521 WeakPolarHBondContact O-CB 3.26Å; L517-H521 PolarHBondContact O-CD2 3.16Å; L517-H521 PolarHBondContact O-N 3.05Å; L517-Y527 HydrophobicContact CD2-CD1 4.25Å; L517-Y527 HydrophobicContact CD2-CG 4.38Å; L517-L530 HydrophobicContact CD1-CD2 4.21Å; L517-L545 HydrophobicContact CD2-CD1 4.08Å; L517-L545 HydrophobicContact CG-CD1 4.35Å; L517-D585 HydrophobicContact CD1-CB 4.2Å; L517-D585 HydrophobicContact CD2-CB 4.01Å; L517-L655 HydrophobicContact CB-CD2 3.35Å; L517-L655 HydrophobicContact CD1-CD2 3.99Å; L517-L655 HydrophobicContact CG-CD2 4.33Å
518D95Very high95.9Very high7 Ų713.9 Ų13.94%0.0376%0.059CC..Hα-helixtrans-57.7-41.5174.218068.2000111.4V514 R522 L655 R656V514-D518 WeakPolarHBondContact O-CB 3.2Å; V514-D518 PolarHBondContact O-N 3.41Å; D518-R522 WeakPolarHBondContact O-CG 3.18Å; D518-R522 PolarHBondContact O-N 2.95Å; D518-R522 VanDerWaalsContact O-N 3.08Å; D518-R522 PolarHBondContact O-NE 2.97Å; D518-R522 IonicContact OD2-CZ 3.22Å; D518-R522 IonicContact OD2-NE 2.66Å; D518-R522 PolarHBondContact OD2-NE 3.01Å; D518-R522 VanDerWaalsContact OD2-NE 3.14Å; D518-R522 IonicContact OD2-NH2 3.63Å; D518-L655 HydrophobicContact CB-CB 4.4Å; D518-R656 IonicContact OD1-NE 2.81Å; D518-R656 IonicContact OD2-CZ 2.67Å; D518-R656 IonicContact OD2-NE 3.31Å; D518-R656 PolarHBondContact OD2-NE 3.04Å; D518-R656 IonicContact OD2-NH2 3.95Å; D518-R656 PolarHBondContact OD2-NH2 2.78Å
519Y95.3Very high95.8Very high31 Ų3114 Ų1412%0.1226%0.059CC..Hα-helixtrans-61-47.1175177.4-84.9000112.1H460 T461 D462 C463 I466 E515 A516 L517 K523H460-Y519 PolarHBondContact O-OH 3.25Å; T461-Y519 HydrophobicContact CG2-CE1 4.06Å; D462-Y519 PolarHBondContact N-OH 3.26Å; D462-Y519 WeakPolarHBondContact O-CE2 3.32Å; C463-Y519 HydrophobicContact CB-CD1 3.9Å; C463-Y519 HydrophobicContact CB-CD2 3.9Å; C463-Y519 HydrophobicContact CB-CE1 4.21Å; C463-Y519 HydrophobicContact CB-CE2 4.19Å; C463-Y519 HydrophobicContact CB-CG 3.76Å; I466-Y519 HydrophobicContact CD1-CD1 3.73Å; I466-Y519 HydrophobicContact CD1-CE1 4.39Å; I466-Y519 HydrophobicContact CD1-CG 4.48Å; E515-Y519 WeakPolarHBondContact O-CB 3.36Å; E515-Y519 PolarHBondContact O-N 3.22Å; E515-Y519 VanDerWaalsContact O-N 3.16Å; A516-Y519 WeakPolarHBondContact O-CB 3.12Å; A516-Y519 PolarHBondContact O-N 3.05Å; L517-Y519 VanDerWaalsContact C-N 3.27Å; L517-Y519 PolarHBondContact O-N 3.42Å; Y519-K523 HydrophobicContact CE1-CD 4.04Å; Y519-K523 WeakPolarHBondContact OH-CE 3.26Å; Y519-K523 PolarHBondContact OH-NZ 3.2Å; Y519-K523 VanDerWaalsContact OH-NZ 3.14Å
520L95.9Very high95.8Very high0 Ų014 Ų140%06%0.059CC..Hα-helixtrans-65-45.7178.7-68.9175.9000111.8T461 I466 A516 L517 R522 K523 N524 I525 Y527 L548T461-L520 HydrophobicContact CG2-CD2 3.85Å; I466-L520 HydrophobicContact CD1-CD1 4.21Å; I466-L520 HydrophobicContact CD1-CD2 3.78Å; I466-L520 HydrophobicContact CD1-CG 3.73Å; A516-L520 WeakPolarHBondContact O-CG 3.43Å; A516-L520 PolarHBondContact O-N 3.33Å; A516-L520 VanDerWaalsContact O-N 3.11Å; L517-L520 PolarHBondContact O-N 3.42Å; L517-L520 VanDerWaalsContact O-N 3.15Å; L520-R522 VanDerWaalsContact C-N 3.35Å; L520-R522 PolarHBondContact O-N 3.22Å; L520-K523 CarbonylContact O-C 3.56Å; L520-K523 WeakPolarHBondContact O-CA 3.49Å; L520-K523 WeakPolarHBondContact O-CB 3.3Å; L520-K523 PolarHBondContact O-N 3.32Å; L520-N524 PolarHBondContact O-N 3.35Å; L520-I525 CarbonylContact C-O 3.59Å; L520-I525 HydrophobicContact CB-CB 4.18Å; L520-I525 HydrophobicContact CB-CG2 4.45Å; L520-I525 HydrophobicContact CD2-CB 4.26Å; L520-I525 HydrophobicContact CD2-CD1 4.24Å; L520-I525 HydrophobicContact CD2-CG2 4.06Å; L520-I525 WeakPolarHBondContact O-CB 3.46Å; L520-I525 PolarHBondContact O-N 3.44Å; L520-Y527 HydrophobicContact CD1-CD2 4.34Å; L520-Y527 HydrophobicContact CD1-CG 4.46Å; L520-L548 HydrophobicContact CD1-CD2 4.25Å; L520-L548 HydrophobicContact CD2-CD2 4.46Å
521H94.1Very high95.7Very high17 Ų1714.4 Ų14.48%0.0796%0.061CC..Hα-helixtrans-65.5-35.3-176.5-67.8-179.1000112.5L517 K523 N524 I525 I582 D585 H586L517-H521 WeakPolarHBondContact O-CB 3.26Å; L517-H521 PolarHBondContact O-CD2 3.16Å; L517-H521 PolarHBondContact O-N 3.05Å; H521-K523 PolarHBondContact O-N 3.23Å; H521-N524 WeakPolarHBondContact O-CA 3.45Å; H521-N524 PolarHBondContact O-N 2.79Å; H521-I525 PolarHBondContact CD2-O 3.21Å; H521-I582 HydrophobicContact CB-CD1 4.17Å; H521-I582 HydrophobicContact CB-CG2 4.46Å; H521-D585 IonicContact CD2-OD2 3.61Å; H521-D585 IonicContact CE1-OD2 3Å; H521-D585 WeakPolarHBondContact NE2-CB 3.35Å; H521-D585 IonicContact NE2-OD2 2.82Å; H521-D585 PolarHBondContact NE2-OD2 2.88Å; H521-H586 AromaticContact CE1-CE1 3.58Å; H521-H586 AromaticContact CE1-ND1 3.81Å; H521-H586 AromaticContact ND1-CE1 3.52Å
522R89.1Confident95.7Very high104 Ų10414.4 Ų14.439%0.3926%0.061SC..Hα-helixtrans-61.2-34.8172.7-76-173.2-71.1125.20112.3D518 L520 N524D518-R522 WeakPolarHBondContact O-CG 3.18Å; D518-R522 PolarHBondContact O-N 2.95Å; D518-R522 VanDerWaalsContact O-N 3.08Å; D518-R522 PolarHBondContact O-NE 2.97Å; D518-R522 IonicContact OD2-CZ 3.22Å; D518-R522 IonicContact OD2-NE 2.66Å; D518-R522 PolarHBondContact OD2-NE 3.01Å; D518-R522 VanDerWaalsContact OD2-NE 3.14Å; D518-R522 IonicContact OD2-NH2 3.63Å; L520-R522 VanDerWaalsContact C-N 3.35Å; L520-R522 PolarHBondContact O-N 3.22Å; R522-N524 PolarHBondContact O-N 2.62Å
523K90.4Very high95.5Very high74 Ų7414.6 Ų14.632%0.3226%0.062SC..THydrogen-bonded Turntrans-82.17.5172.4-64.9-171.5171.2-143.30114.1H460 Y519 L520 H521 I525 Q553H460-K523 PolarHBondContact O-NZ 3.16Å; Y519-K523 HydrophobicContact CE1-CD 4.04Å; Y519-K523 WeakPolarHBondContact OH-CE 3.26Å; Y519-K523 PolarHBondContact OH-NZ 3.2Å; Y519-K523 VanDerWaalsContact OH-NZ 3.14Å; L520-K523 CarbonylContact O-C 3.56Å; L520-K523 WeakPolarHBondContact O-CA 3.49Å; L520-K523 WeakPolarHBondContact O-CB 3.3Å; L520-K523 PolarHBondContact O-N 3.32Å; H521-K523 PolarHBondContact O-N 3.23Å; K523-I525 HydrophobicContact CB-CD1 3.83Å; K523-I525 HydrophobicContact CB-CG1 4.12Å; K523-I525 HydrophobicContact CD-CD1 4.49Å; K523-I525 PolarHBondContact O-N 3.42Å; K523-Q553 PolarHBondContact O-NE2 2.93Å
524N89Confident95.3Very high15 Ų1515 Ų158%0.086%0.064CC..THydrogen-bonded Turntrans55.737.1-175.5-148.752.2000113.1L520 H521 R522 L554 P555 Y556L520-N524 PolarHBondContact O-N 3.35Å; H521-N524 WeakPolarHBondContact O-CA 3.45Å; H521-N524 PolarHBondContact O-N 2.79Å; R522-N524 PolarHBondContact O-N 2.62Å; N524-L554 VanDerWaalsContact ND2-C 3.34Å; N524-L554 PolarHBondContact ND2-O 3.34Å; N524-L554 PolarHBondContact O-N 3.03Å; N524-P555 VanDerWaalsContact ND2-C 3.3Å; N524-P555 PolarHBondContact ND2-O 2.89Å; N524-Y556 HydrophobicContact CB-CD1 4.24Å; N524-Y556 HydrophobicContact CB-CE1 3.96Å
525I95.2Very high95.4Very high5 Ų515 Ų153%0.0266%0.064CC..EExtended strand (participates in β ladder)trans-101.1121.7174.8-60.2165.3000108.2I457 L520 H521 K523 A551 K552 Q553I457-I525 HydrophobicContact CD1-CG2 4.12Å; I457-I525 HydrophobicContact CG2-CD1 4.17Å; I457-I525 HydrophobicContact CG2-CG2 4.17Å; L520-I525 CarbonylContact C-O 3.59Å; L520-I525 HydrophobicContact CB-CB 4.18Å; L520-I525 HydrophobicContact CB-CG2 4.45Å; L520-I525 HydrophobicContact CD2-CB 4.26Å; L520-I525 HydrophobicContact CD2-CD1 4.24Å; L520-I525 HydrophobicContact CD2-CG2 4.06Å; L520-I525 WeakPolarHBondContact O-CB 3.46Å; L520-I525 PolarHBondContact O-N 3.44Å; H521-I525 PolarHBondContact CD2-O 3.21Å; K523-I525 HydrophobicContact CB-CD1 3.83Å; K523-I525 HydrophobicContact CB-CG1 4.12Å; K523-I525 HydrophobicContact CD-CD1 4.49Å; K523-I525 PolarHBondContact O-N 3.42Å; I525-A551 HydrophobicContact CG2-CB 4.24Å; I525-K552 WeakPolarHBondContact CA-O 3.47Å; I525-Q553 HydrophobicContact CG1-CB 4Å; I525-Q553 HydrophobicContact CG1-CG 3.98Å
526V96.5Very high95.4Very high0 Ų015.2 Ų15.20%07%0.066CC..EExtended strand (participates in β ladder)trans-91.6138.117062.90000109.3R528 A551 K552 L554 D581 I582 V584V526-R528 HydrophobicContact CB-CG 4.25Å; V526-R528 HydrophobicContact CG1-CG 3.88Å; V526-R528 HydrophobicContact CG2-CG 3.5Å; V526-R528 VanDerWaalsContact CG2-CG 3.5Å; V526-A551 CarbonylContact O-C 3.5Å; V526-A551 WeakPolarHBondContact O-CA 3.49Å; V526-A551 WeakPolarHBondContact O-CB 3.46Å; V526-K552 HydrophobicContact CG1-CB 4.24Å; V526-K552 WeakPolarHBondContact CG1-O 3.25Å; V526-K552 PolarHBondContact N-O 3.33Å; V526-K552 PolarHBondContact O-N 3.31Å; V526-L554 HydrophobicContact CB-CD1 4.45Å; V526-L554 HydrophobicContact CG1-CD1 3.99Å; V526-L554 HydrophobicContact CG1-CG 4.16Å; V526-D581 WeakPolarHBondContact CG2-O 3.28Å; V526-I582 HydrophobicContact CB-CG2 4.18Å; V526-V584 HydrophobicContact CG2-CG2 3.53Å
527Y97.7Very high95.3Very high0 Ų015.2 Ų15.20%07%0.066CC..  trans-89.4-45.1-174-180-123.7000113.7L517 L520 D529 L530 N534 L545 T546 D547 L548 F550 A551 D585L517-Y527 HydrophobicContact CD2-CD1 4.25Å; L517-Y527 HydrophobicContact CD2-CG 4.38Å; L520-Y527 HydrophobicContact CD1-CD2 4.34Å; L520-Y527 HydrophobicContact CD1-CG 4.46Å; Y527-D529 VanDerWaalsContact C-N 3.26Å; Y527-D529 PolarHBondContact O-N 2.86Å; Y527-D529 VanDerWaalsContact O-N 3.1Å; Y527-L530 HydrophobicContact CD1-CB 3.96Å; Y527-L530 HydrophobicContact CD1-CD1 4.47Å; Y527-L530 HydrophobicContact CE1-CB 3.99Å; Y527-L530 HydrophobicContact CE1-CD1 4.11Å; Y527-N534 WeakPolarHBondContact OH-CB 3.26Å; Y527-L545 HydrophobicContact CD1-CD1 4.37Å; Y527-L545 HydrophobicContact CE1-CD1 4.26Å; Y527-L545 HydrophobicContact CE1-CD2 4.32Å; Y527-T546 PolarHBondContact OH-O 2.87Å; Y527-D547 WeakPolarHBondContact CE2-O 3.45Å; Y527-L548 HydrophobicContact CD2-CD2 3.77Å; Y527-L548 HydrophobicContact CE2-CD2 3.99Å; Y527-L548 HydrophobicContact CE2-CG 4.26Å; Y527-F550 CarbonylContact O-C 3.54Å; Y527-A551 HydrophobicContact CD2-CB 4.46Å; Y527-A551 PolarHBondContact O-N 2.87Å; Y527-D585 PolarHBondContact N-OD1 3.27Å; Y527-D585 PolarHBondContact N-OD2 2.94Å
528R97.2Very high95.1Very high10 Ų1016 Ų164%0.0387%0.07CC..  trans65.5-4171-53.3-168.7-71.2173.65.7118.5V526 F550 T560 G565 V584 D585V526-R528 HydrophobicContact CB-CG 4.25Å; V526-R528 HydrophobicContact CG1-CG 3.88Å; V526-R528 HydrophobicContact CG2-CG 3.5Å; V526-R528 VanDerWaalsContact CG2-CG 3.5Å; R528-F550 HydrophobicContact CB-CB 4.23Å; R528-F550 PolarHBondContact NE-O 3.4Å; R528-F550 PolarHBondContact NH2-O 3.33Å; R528-T560 VanDerWaalsContact NH1-CG2 3.3Å; R528-G565 WeakPolarHBondContact O-CA 3.41Å; R528-V584 HydrophobicContact CG-CG2 4.06Å; R528-D585 PolarHBondContact N-OD1 3.08Å
529D96Very high94.9Very high7 Ų719 Ų194%0.0379%0.089CC..  trans-135.244.6174.4-151.933.9000113.4Y527 K531 N534 F550 T566Y527-D529 VanDerWaalsContact C-N 3.26Å; Y527-D529 PolarHBondContact O-N 2.86Å; Y527-D529 VanDerWaalsContact O-N 3.1Å; D529-K531 PolarHBondContact O-N 3.49Å; D529-K531 IonicContact OD1-NZ 3.73Å; D529-K531 WeakPolarHBondContact OD2-CE 3.19Å; D529-K531 IonicContact OD2-NZ 2.71Å; D529-K531 PolarHBondContact OD2-NZ 3.42Å; D529-N534 PolarHBondContact O-ND2 3.27Å; D529-N534 PolarHBondContact OD2-ND2 3.35Å; D529-F550 HydrophobicContact CB-CB 4.35Å; D529-F550 HydrophobicContact CB-CD2 3.63Å; D529-F550 HydrophobicContact CB-CE2 4.32Å; D529-F550 HydrophobicContact CB-CG 4.36Å; D529-T566 PolarHBondContact OD1-N 3.32Å; D529-T566 VanDerWaalsContact OD1-N 3.17Å; D529-T566 PolarHBondContact OD1-OG1 2.82Å
530L98.3Very high94.8Very high0 Ų022.3 Ų22.30%011%0.105CC..  trans-69123174.2-174.868.9000111.3V513 L517 Y527 I535 L545 Y569 L589 L592V513-L530 HydrophobicContact CG1-CD1 3.66Å; V513-L530 HydrophobicContact CG1-CD2 3.91Å; V513-L530 HydrophobicContact CG1-CG 4.44Å; L517-L530 HydrophobicContact CD1-CD2 4.21Å; Y527-L530 HydrophobicContact CD1-CB 3.96Å; Y527-L530 HydrophobicContact CD1-CD1 4.47Å; Y527-L530 HydrophobicContact CE1-CB 3.99Å; Y527-L530 HydrophobicContact CE1-CD1 4.11Å; L530-I535 HydrophobicContact CD1-CD1 4.19Å; L530-I535 HydrophobicContact CD1-CG1 4.42Å; L530-L545 HydrophobicContact CD1-CD2 3.72Å; L530-Y569 WeakPolarHBondContact O-CD1 3.43Å; L530-Y569 VanDerWaalsContact O-CE1 3.28Å; L530-Y569 WeakPolarHBondContact O-CE1 3.31Å; L530-Y569 VanDerWaalsContact O-CG 3.22Å; L530-L589 HydrophobicContact CD2-CB 4.2Å; L530-L589 HydrophobicContact CD2-CD1 4.26Å; L530-L592 HydrophobicContact CD1-CD2 4.24Å; L530-L592 HydrophobicContact CD2-CB 4.3Å; L530-L592 HydrophobicContact CD2-CD2 4.02Å; L530-L592 HydrophobicContact CG-CD2 4.2Å
531K96.4Very high94.8Very high9 Ų922.3 Ų22.34%0.03911%0.105CC..SBendtrans-166.3160.3174.359.1-176.2164.4-163.20110G99 D529 E533 N534 I535 T566 Y569G99-K531 PolarHBondContact O-NZ 3.26Å; D529-K531 PolarHBondContact O-N 3.49Å; D529-K531 IonicContact OD1-NZ 3.73Å; D529-K531 WeakPolarHBondContact OD2-CE 3.19Å; D529-K531 IonicContact OD2-NZ 2.71Å; D529-K531 PolarHBondContact OD2-NZ 3.42Å; K531-E533 WeakPolarHBondContact CB-OE2 3.45Å; K531-E533 HydrophobicContact CD-CB 4.05Å; K531-E533 HydrophobicContact CD-CG 4.46Å; K531-E533 HydrophobicContact CG-CB 4.04Å; K531-E533 WeakPolarHBondContact CG-OE2 3.35Å; K531-E533 PolarHBondContact O-N 3.42Å; K531-E533 VanDerWaalsContact O-N 3.1Å; K531-N534 VanDerWaalsContact CE-CG 3.47Å; K531-N534 WeakPolarHBondContact CE-ND2 3.26Å; K531-N534 WeakPolarHBondContact CE-OD1 3.46Å; K531-N534 HydrophobicContact CG-CB 4.27Å; K531-N534 PolarHBondContact O-N 3.38Å; K531-I535 WeakPolarHBondContact O-CG1 3.48Å; K531-T566 HydrophobicContact CD-CG2 4.26Å; K531-T566 WeakPolarHBondContact CD-OG1 3.38Å; K531-T566 PolarHBondContact NZ-OG1 3.43Å; K531-Y569 HydrophobicContact CB-CD2 4.19Å; K531-Y569 HydrophobicContact CB-CE1 4.28Å; K531-Y569 HydrophobicContact CB-CE2 3.96Å; K531-Y569 HydrophobicContact CB-CG 4.48Å
532P97Very high94.9Very high0 Ų021.7 Ų21.70%010%0.102CC..G310 helixtrans-53.2-30.5178.3-29.135.1000114.5W492 L495 N534 I535 Y569 L592W492-P532 HydrophobicContact CB-CB 3.84Å; W492-P532 PolarHBondContact N-O 3.16Å; W492-P532 VanDerWaalsContact N-O 3.16Å; L495-P532 HydrophobicContact CD2-CG 4.32Å; P532-N534 VanDerWaalsContact C-N 3.3Å; P532-N534 PolarHBondContact O-N 2.85Å; P532-I535 PolarHBondContact O-N 3.07Å; P532-Y569 WeakPolarHBondContact CD-OH 3.49Å; P532-L592 HydrophobicContact CG-CD1 3.79Å
533E94.1Very high95.2Very high6 Ų616.9 Ų16.93%0.0288%0.084CC..G310 helixtrans-66.6-30.5179-63.48615600112.7R96 R98 G99 W492 K531R96-E533 IonicContact CZ-OE1 3.62Å; R96-E533 IonicContact NH1-OE1 3.19Å; R96-E533 PolarHBondContact NH1-OE1 3.18Å; R96-E533 VanDerWaalsContact NH1-OE1 3.16Å; R96-E533 IonicContact NH1-OE2 3.79Å; R96-E533 PolarHBondContact NH1-OE2 2.77Å; R96-E533 IonicContact NH2-OE1 3.15Å; R98-E533 HydrophobicContact CG-CG 3.75Å; G99-E533 PolarHBondContact N-OE1 2.94Å; W492-E533 HydrophobicContact CB-CG 4Å; W492-E533 HydrophobicContact CD2-CG 4.46Å; W492-E533 HydrophobicContact CG-CG 3.85Å; K531-E533 WeakPolarHBondContact CB-OE2 3.45Å; K531-E533 HydrophobicContact CD-CB 4.05Å; K531-E533 HydrophobicContact CD-CG 4.46Å; K531-E533 HydrophobicContact CG-CB 4.04Å; K531-E533 WeakPolarHBondContact CG-OE2 3.35Å; K531-E533 PolarHBondContact O-N 3.42Å; K531-E533 VanDerWaalsContact O-N 3.1Å
534N95.7Very high95.6Very high11 Ų1114.2 Ų14.26%0.0597%0.072CC..G310 helixtrans-98.215.9180-64.3-6.4000112.4Y527 D529 K531 P532 T546Y527-N534 WeakPolarHBondContact OH-CB 3.26Å; D529-N534 PolarHBondContact O-ND2 3.27Å; D529-N534 PolarHBondContact OD2-ND2 3.35Å; K531-N534 VanDerWaalsContact CE-CG 3.47Å; K531-N534 WeakPolarHBondContact CE-ND2 3.26Å; K531-N534 WeakPolarHBondContact CE-OD1 3.46Å; K531-N534 HydrophobicContact CG-CB 4.27Å; K531-N534 PolarHBondContact O-N 3.38Å; P532-N534 VanDerWaalsContact C-N 3.3Å; P532-N534 PolarHBondContact O-N 2.85Å; N534-T546 WeakPolarHBondContact O-CG2 3.25Å; N534-T546 PolarHBondContact O-N 2.92Å
535I97.9Very high96Very high0 Ų013.6 Ų13.60%07%0.069CC..EExtended strand (participates in β ladder)trans-114.9112.5174.6-58.4164.8000108.3L491 V513 L530 K531 P532 C543 L545 L592L491-I535 HydrophobicContact CB-CB 3.89Å; L491-I535 HydrophobicContact CB-CG2 3.97Å; L491-I535 WeakPolarHBondContact CB-O 3.27Å; L491-I535 HydrophobicContact CD2-CB 4.06Å; L491-I535 HydrophobicContact CD2-CD1 3.85Å; L491-I535 HydrophobicContact CD2-CG2 3.83Å; L491-I535 HydrophobicContact CG-CG2 4.49Å; L491-I535 PolarHBondContact N-O 3.05Å; V513-I535 HydrophobicContact CG2-CD1 3.79Å; V513-I535 HydrophobicContact CG2-CG1 4.33Å; L530-I535 HydrophobicContact CD1-CD1 4.19Å; L530-I535 HydrophobicContact CD1-CG1 4.42Å; K531-I535 WeakPolarHBondContact O-CG1 3.48Å; P532-I535 PolarHBondContact O-N 3.07Å; I535-C543 HydrophobicContact CG2-CB 3.58Å; I535-C543 WeakPolarHBondContact CG2-SG 3.44Å; I535-L545 HydrophobicContact CG1-CD2 3.82Å; I535-L592 HydrophobicContact CD1-CD1 3.91Å; I535-L592 HydrophobicContact CD1-CD2 3.71Å; I535-L592 HydrophobicContact CD1-CG 4.49Å
536M96.4Very high96Very high24 Ų2414.6 Ų14.612%0.1188%0.076CC..EExtended strand (participates in β ladder)trans-95150.2178.1-64.3-63-68.800111.1C486 E490 C543 K544 T546 F694C486-M536 HydrophobicContact CB-CB 3.58Å; C486-M536 HydrophobicContact CB-CE 4.12Å; C486-M536 HydrophobicContact CB-CG 4.36Å; E490-M536 HydrophobicContact CG-SD 3.82Å; M536-C543 CarbonylContact O-C 3.54Å; M536-C543 VanDerWaalsContact O-CA 3.28Å; M536-C543 WeakPolarHBondContact O-CA 3.5Å; M536-K544 PolarHBondContact N-O 3Å; M536-K544 PolarHBondContact O-N 3.15Å; M536-T546 HydrophobicContact CG-CG2 3.63Å; M536-T546 HydrophobicContact SD-CG2 4.46Å; M536-F694 HydrophobicContact CE-CE1 3.92Å; M536-F694 HydrophobicContact CE-CZ 4.14Å
537L96.7Very high95.7Very high0 Ų017.3 Ų17.30%09%0.09CC..EExtended strand (participates in β ladder)trans-103.9133.8173.1-63.3171.2000110C486 G488 G489 L491 L494 Y509 Y542 C543 R683C486-L537 CarbonylContact C-O 3.52Å; C486-L537 WeakPolarHBondContact CB-O 3.23Å; G488-L537 WeakPolarHBondContact CA-O 3.36Å; G488-L537 PolarHBondContact N-O 3.4Å; G489-L537 PolarHBondContact O-N 3.23Å; L491-L537 HydrophobicContact CD1-CD1 4.36Å; L491-L537 HydrophobicContact CD1-CD2 4.21Å; L494-L537 HydrophobicContact CB-CD1 4.27Å; L494-L537 HydrophobicContact CD2-CD1 3.62Å; Y509-L537 HydrophobicContact CE1-CD2 3.82Å; L537-Y542 WeakPolarHBondContact CA-O 3.32Å; L537-C543 VanDerWaalsContact CD2-SG 3.54Å; L537-R683 HydrophobicContact CB-CG 4.21Å; L537-R683 HydrophobicContact CD1-CG 4.06Å
538D93.5Very high95.4Very high16 Ų1617.3 Ų17.39%0.0869%0.09CC..  trans-81.1-178.516767.929.3000112.1Q540 G541 Y542 R675D538-Q540 PolarHBondContact O-N 3.39Å; D538-Q540 WeakPolarHBondContact OD1-CA 3.36Å; D538-Q540 WeakPolarHBondContact OD1-CB 3.49Å; D538-Q540 PolarHBondContact OD1-N 3.29Å; D538-G541 PolarHBondContact O-N 3.44Å; D538-G541 PolarHBondContact OD1-N 2.86Å; D538-Y542 PolarHBondContact N-O 2.85Å; D538-Y542 PolarHBondContact OD1-N 2.77Å; D538-Y542 WeakPolarHBondContact OD2-CB 3.47Å; D538-R675 IonicContact OD1-NH2 2.66Å; D538-R675 IonicContact OD2-CZ 2.75Å; D538-R675 IonicContact OD2-NH1 3.78Å; D538-R675 PolarHBondContact OD2-NH1 3.21Å; D538-R675 IonicContact OD2-NH2 3.41Å; D538-R675 PolarHBondContact OD2-NH2 2.59Å
539T91.1Very high95Very high71 Ų7117.5 Ų17.544%0.43610%0.095SC..THydrogen-bonded Turntrans-66.3-18.5-178.655.50000113.7L487 V685L487-T539 HydrophobicContact CB-CG2 4.15Å; T539-V685 HydrophobicContact CG2-CB 4.04Å; T539-V685 HydrophobicContact CG2-CG1 4.21Å; T539-V685 HydrophobicContact CG2-CG2 4.06Å
540Q92.6Very high94.8Very high100 Ų10018.2 Ų18.247%0.46710%0.098SC..THydrogen-bonded Turntrans-91.3-7.5175.3-62.6176.1-6.700111.9D538 Y542 A679D538-Q540 PolarHBondContact O-N 3.39Å; D538-Q540 WeakPolarHBondContact OD1-CA 3.36Å; D538-Q540 WeakPolarHBondContact OD1-CB 3.49Å; D538-Q540 PolarHBondContact OD1-N 3.29Å; Q540-Y542 HydrophobicContact CB-CD2 4.06Å; Q540-A679 WeakPolarHBondContact O-CB 3.39Å
541G95.2Very high94.7Very high0 Ų018.3 Ų18.30%010%0.098CC..SBendtrans84.613.1-176.300000114.2D538D538-G541 PolarHBondContact O-N 3.44Å; D538-G541 PolarHBondContact OD1-N 2.86Å
542Y97.2Very high94.5Very high4 Ų419.7 Ų19.72%0.01610%0.104CC..  trans-79.6145.2172-83.4-107.8000110.6F465 F508 L537 D538 Q540 L672 R675 L677F465-Y542 HydrophobicContact CE1-CD1 4.06Å; F508-Y542 HydrophobicContact CE2-CE1 4.24Å; F508-Y542 HydrophobicContact CE2-CE2 4.45Å; F508-Y542 AromaticContact CZ-CD1 3.91Å; F508-Y542 HydrophobicContact CZ-CD1 3.91Å; F508-Y542 AromaticContact CZ-CD2 4Å; F508-Y542 HydrophobicContact CZ-CD2 4Å; F508-Y542 AromaticContact CZ-CE1 3.82Å; F508-Y542 HydrophobicContact CZ-CE1 3.82Å; F508-Y542 AromaticContact CZ-CE2 3.88Å; F508-Y542 HydrophobicContact CZ-CE2 3.88Å; F508-Y542 AromaticContact CZ-CG 4Å; F508-Y542 HydrophobicContact CZ-CG 4Å; F508-Y542 AromaticContact CZ-CZ 3.78Å; L537-Y542 WeakPolarHBondContact CA-O 3.32Å; D538-Y542 PolarHBondContact N-O 2.85Å; D538-Y542 PolarHBondContact OD1-N 2.77Å; D538-Y542 WeakPolarHBondContact OD2-CB 3.47Å; Q540-Y542 HydrophobicContact CB-CD2 4.06Å; Y542-L672 HydrophobicContact CD1-CD1 4.38Å; Y542-L672 HydrophobicContact CE1-CD1 3.77Å; Y542-L672 HydrophobicContact CE1-CG 4.48Å; Y542-R675 HydrophobicContact CD1-CG 4.42Å; Y542-R675 HydrophobicContact CE1-CB 4.27Å; Y542-R675 HydrophobicContact CE1-CG 4.07Å; Y542-R675 WeakPolarHBondContact OH-CA 3.24Å; Y542-L677 WeakPolarHBondContact CE2-O 3.14Å; Y542-L677 PolarHBondContact OH-N 3.35Å; Y542-L677 PolarHBondContact OH-O 2.87Å
543C96.3Very high94.4Very high2 Ų225.2 Ų25.21%0.01413%0.13CC..EExtended strand (participates in β ladder)trans-83.3143178.7-72.50000112.4Y509 C512 I535 M536 L537Y509-C543 WeakPolarHBondContact CD1-SG 3.3Å; C512-C543 HydrophobicContact CB-CB 3.62Å; I535-C543 HydrophobicContact CG2-CB 3.58Å; I535-C543 WeakPolarHBondContact CG2-SG 3.44Å; M536-C543 CarbonylContact O-C 3.54Å; M536-C543 VanDerWaalsContact O-CA 3.28Å; M536-C543 WeakPolarHBondContact O-CA 3.5Å; L537-C543 VanDerWaalsContact CD2-SG 3.54Å
544K97.9Very high94.1Very high18 Ų1825.4 Ų25.48%0.07813%0.131CC..EExtended strand (participates in β ladder)trans-129.3130.4166-59-163.6176.1-155.90110.2D464 F465 V467 E484 M536D464-K544 WeakPolarHBondContact O-CE 3.31Å; F465-K544 CarbonylContact O-C 3.58Å; F465-K544 VanDerWaalsContact O-CA 3.3Å; F465-K544 WeakPolarHBondContact O-CA 3.11Å; V467-K544 HydrophobicContact CG2-CB 3.88Å; E484-K544 WeakPolarHBondContact OE1-CD 3.4Å; E484-K544 IonicContact OE1-NZ 2.78Å; E484-K544 PolarHBondContact OE1-NZ 2.99Å; E484-K544 IonicContact OE2-NZ 3.08Å; E484-K544 PolarHBondContact OE2-NZ 2.86Å; M536-K544 PolarHBondContact N-O 3Å; M536-K544 PolarHBondContact O-N 3.15Å
545L97.9Very high93.4Very high3 Ų329.3 Ų29.32%0.01616%0.157CC..EExtended strand (participates in β ladder)trans-66.6136.8168.4-67.9-173.2000109.8F465 V467 V513 A516 L517 Y527 L530 I535F465-L545 PolarHBondContact O-N 2.9Å; V467-L545 WeakPolarHBondContact CG2-O 3.48Å; V467-L545 PolarHBondContact N-O 3.43Å; V513-L545 HydrophobicContact CG1-CD2 4.5Å; V513-L545 HydrophobicContact CG2-CD2 4.33Å; A516-L545 HydrophobicContact CB-CB 4.45Å; A516-L545 HydrophobicContact CB-CD1 3.51Å; A516-L545 HydrophobicContact CB-CG 3.7Å; L517-L545 HydrophobicContact CD2-CD1 4.08Å; L517-L545 HydrophobicContact CG-CD1 4.35Å; Y527-L545 HydrophobicContact CD1-CD1 4.37Å; Y527-L545 HydrophobicContact CE1-CD1 4.26Å; Y527-L545 HydrophobicContact CE1-CD2 4.32Å; L530-L545 HydrophobicContact CD1-CD2 3.72Å; I535-L545 HydrophobicContact CG1-CD2 3.82Å
546T94.6Very high92.3Very high26 Ų2633.4 Ų33.416%0.1617%0.173CC..  trans-126.3-179.8174.2-167.20000110.3Y527 N534 M536Y527-T546 PolarHBondContact OH-O 2.87Å; N534-T546 WeakPolarHBondContact O-CG2 3.25Å; N534-T546 PolarHBondContact O-N 2.92Å; M536-T546 HydrophobicContact CG-CG2 3.63Å; M536-T546 HydrophobicContact SD-CG2 4.46Å
547D89.5Confident91.1Very high56 Ų5632.5 Ų32.530%0.29917%0.17SC..  trans53.380.6175.4-15611000113.9K435 Y527 G549K435-D547 IonicContact NZ-OD1 3.3Å; K435-D547 PolarHBondContact NZ-OD1 3.4Å; Y527-D547 WeakPolarHBondContact CE2-O 3.45Å; D547-G549 PolarHBondContact O-N 3.37Å
548L92.7Very high90.2Very high1 Ų133.8 Ų33.81%0.00518%0.18CC..  trans-90.619.3179.5-73.7145000111.4E454 I457 M458 I466 L520 Y527 F550 A551E454-L548 HydrophobicContact CG-CB 4.13Å; E454-L548 PolarHBondContact OE1-N 3.4Å; I457-L548 HydrophobicContact CG2-CD1 4.38Å; I457-L548 HydrophobicContact CG2-CD2 4Å; M458-L548 HydrophobicContact CE-CD1 4.28Å; M458-L548 HydrophobicContact CG-CB 4.15Å; M458-L548 HydrophobicContact CG-CD1 3.35Å; M458-L548 HydrophobicContact CG-CG 4.36Å; M458-L548 HydrophobicContact SD-CD1 4.22Å; I466-L548 HydrophobicContact CG2-CD1 4.15Å; L520-L548 HydrophobicContact CD1-CD2 4.25Å; L520-L548 HydrophobicContact CD2-CD2 4.46Å; Y527-L548 HydrophobicContact CD2-CD2 3.77Å; Y527-L548 HydrophobicContact CE2-CD2 3.99Å; Y527-L548 HydrophobicContact CE2-CG 4.26Å; L548-F550 PolarHBondContact O-N 3Å; L548-A551 HydrophobicContact CB-CB 3.98Å; L548-A551 HydrophobicContact CD2-CB 3.63Å; L548-A551 HydrophobicContact CG-CB 4.41Å; L548-A551 VanDerWaalsContact O-CB 3.29Å; L548-A551 WeakPolarHBondContact O-CB 3.4Å; L548-A551 PolarHBondContact O-N 3.45Å
549G89.1Confident89.9Confident13 Ų1334.8 Ų34.813%0.13418%0.184CC..THydrogen-bonded Turntrans-58.5-30.3-177.600000114.5D547D547-G549 PolarHBondContact O-N 3.37Å
550F91.3Very high89.7Confident23 Ų2331.7 Ų31.710%0.10117%0.165CC..THydrogen-bonded Turntrans-100-0.8173.8-60.5-15000113.1Y527 R528 D529 L548 C564Y527-F550 CarbonylContact O-C 3.54Å; R528-F550 HydrophobicContact CB-CB 4.23Å; R528-F550 PolarHBondContact NE-O 3.4Å; R528-F550 PolarHBondContact NH2-O 3.33Å; D529-F550 HydrophobicContact CB-CB 4.35Å; D529-F550 HydrophobicContact CB-CD2 3.63Å; D529-F550 HydrophobicContact CB-CE2 4.32Å; D529-F550 HydrophobicContact CB-CG 4.36Å; L548-F550 PolarHBondContact O-N 3Å; F550-C564 HydrophobicContact CD1-CB 4.5Å; F550-C564 HydrophobicContact CD2-CB 4.22Å; F550-C564 HydrophobicContact CG-CB 4.23Å
551A95.2Very high89.4Confident1 Ų127.5 Ų27.51%0.00815%0.145CC..  trans-69.2147.3179.200000110.8I457 I525 V526 Y527 L548I457-A551 HydrophobicContact CD1-CB 3.78Å; I457-A551 WeakPolarHBondContact CD1-O 3.45Å; I525-A551 HydrophobicContact CG2-CB 4.24Å; V526-A551 CarbonylContact O-C 3.5Å; V526-A551 WeakPolarHBondContact O-CA 3.49Å; V526-A551 WeakPolarHBondContact O-CB 3.46Å; Y527-A551 HydrophobicContact CD2-CB 4.46Å; Y527-A551 PolarHBondContact O-N 2.87Å; L548-A551 HydrophobicContact CB-CB 3.98Å; L548-A551 HydrophobicContact CD2-CB 3.63Å; L548-A551 HydrophobicContact CG-CB 4.41Å; L548-A551 VanDerWaalsContact O-CB 3.29Å; L548-A551 WeakPolarHBondContact O-CB 3.4Å; L548-A551 PolarHBondContact O-N 3.45Å
552K93.6Very high88.8Confident39 Ų3927.6 Ų27.617%0.1715%0.146CC..EExtended strand (participates in β ladder)trans-144129.7178.3-170.8162.9-179.11530110.3E449 I525 V526 L554E449-K552 IonicContact OE1-NZ 3.52Å; I525-K552 WeakPolarHBondContact CA-O 3.47Å; V526-K552 HydrophobicContact CG1-CB 4.24Å; V526-K552 WeakPolarHBondContact CG1-O 3.25Å; V526-K552 PolarHBondContact N-O 3.33Å; V526-K552 PolarHBondContact O-N 3.31Å; K552-L554 HydrophobicContact CB-CD2 4.48Å; K552-L554 HydrophobicContact CD-CD2 4.29Å; K552-L554 HydrophobicContact CG-CD2 4.04Å; K552-L554 PolarHBondContact O-N 3.2Å
553Q93.3Very high88.2Confident115 Ų11527.9 Ų27.954%0.53715%0.147SC..EExtended strand (participates in β ladder)trans-77.3121.8167.1-168170.72600108.5K523 I525K523-Q553 PolarHBondContact O-NE2 2.93Å; I525-Q553 HydrophobicContact CG1-CB 4Å; I525-Q553 HydrophobicContact CG1-CG 3.98Å
554L88.2Confident87.8Confident10 Ų1028 Ų285%0.05215%0.148CC..PPolyproline II helixtrans-96.3147.4178.4-57.9178.5000109.4N524 V526 K552 T560 D581N524-L554 VanDerWaalsContact ND2-C 3.34Å; N524-L554 PolarHBondContact ND2-O 3.34Å; N524-L554 PolarHBondContact O-N 3.03Å; V526-L554 HydrophobicContact CB-CD1 4.45Å; V526-L554 HydrophobicContact CG1-CD1 3.99Å; V526-L554 HydrophobicContact CG1-CG 4.16Å; K552-L554 HydrophobicContact CB-CD2 4.48Å; K552-L554 HydrophobicContact CD-CD2 4.29Å; K552-L554 HydrophobicContact CG-CD2 4.04Å; K552-L554 PolarHBondContact O-N 3.2Å; L554-T560 HydrophobicContact CD2-CG2 4.1Å; L554-D581 HydrophobicContact CD1-CB 4.04Å
555P81.1Confident87.5Confident93 Ų9327.2 Ų27.260%0.60415%0.145SC*.PPolyproline II helixtrans-59.9150.2157.7-21.131.8000110.4N524 G557 A558N524-P555 VanDerWaalsContact ND2-C 3.3Å; N524-P555 PolarHBondContact ND2-O 2.89Å; P555-G557 PolarHBondContact O-N 2.7Å; P555-G557 VanDerWaalsContact O-N 3.15Å; P555-A558 HydrophobicContact CB-CB 3.84Å; P555-A558 HydrophobicContact CG-CB 4.06Å; P555-A558 WeakPolarHBondContact O-CB 3.41Å; P555-A558 PolarHBondContact O-N 3.39Å
556Y75.2Confident87.1Confident87 Ų8727.1 Ų27.134%0.34114%0.144SC..THydrogen-bonded Turntrans-61.2122.2-179.4-75.6-73.1000111.5S264 Y380 E383 N524 A558S264-Y556 WeakPolarHBondContact CA-O 3.3Å; S264-Y556 VanDerWaalsContact CB-C 3.44Å; S264-Y556 WeakPolarHBondContact CB-O 3.45Å; Y380-Y556 AromaticContact CD1-CD1 3.75Å; Y380-Y556 HydrophobicContact CD1-CD1 3.75Å; Y380-Y556 HydrophobicContact CD1-CE1 4.37Å; Y380-Y556 AromaticContact CD1-CG 3.97Å; Y380-Y556 HydrophobicContact CD1-CG 3.97Å; Y380-Y556 AromaticContact CE1-CD1 3.68Å; Y380-Y556 HydrophobicContact CE1-CD1 3.68Å; Y380-Y556 HydrophobicContact CE1-CG 4.1Å; E383-Y556 PolarHBondContact O-OH 3.28Å; N524-Y556 HydrophobicContact CB-CD1 4.24Å; N524-Y556 HydrophobicContact CB-CE1 3.96Å; Y556-A558 PolarHBondContact O-N 2.83Å
557G70.8Confident87Confident5 Ų526.3 Ų26.35%0.05214%0.14CC..THydrogen-bonded Turntrans77.62.8-179.100000114.7S267 P555S267-G557 VanDerWaalsContact CB-O 3.26Å; S267-G557 WeakPolarHBondContact CB-O 3.06Å; S267-G557 PolarHBondContact OG-O 2.67Å; P555-G557 PolarHBondContact O-N 2.7Å; P555-G557 VanDerWaalsContact O-N 3.15Å
558A78.5Confident87.2Confident26 Ų2625.2 Ų25.222%0.21513%0.133CC..  trans-83.2156.2169.600000110.9P555 Y556P555-A558 HydrophobicContact CB-CB 3.84Å; P555-A558 HydrophobicContact CG-CB 4.06Å; P555-A558 WeakPolarHBondContact O-CB 3.41Å; P555-A558 PolarHBondContact O-N 3.39Å; Y556-A558 PolarHBondContact O-N 2.83Å
559K85.6Confident87.4Confident37 Ų3725.3 Ų25.316%0.16113%0.133CC..  trans-107.1166.2170.5-76.4172.3165.41760110D271 K578 H580D271-K559 WeakPolarHBondContact OD1-CD 3.48Å; D271-K559 WeakPolarHBondContact OD1-CE 3.45Å; D271-K559 IonicContact OD1-NZ 2.69Å; D271-K559 PolarHBondContact OD1-NZ 3.29Å; D271-K559 WeakPolarHBondContact OD2-CE 3.35Å; D271-K559 IonicContact OD2-NZ 2.88Å; K559-K578 PolarHBondContact NZ-O 3.33Å; K559-H580 WeakPolarHBondContact CA-O 3.22Å
560T87.8Confident87.7Confident7 Ų725 Ų254%0.04313%0.128CC..BIsolated β-bridgetrans-119.5163.2163.4-169.20000109.6R528 L554 G579 H580R528-T560 VanDerWaalsContact NH1-CG2 3.3Å; L554-T560 HydrophobicContact CD2-CG2 4.1Å; T560-G579 CarbonylContact O-C 3.54Å; T560-G579 VanDerWaalsContact O-CA 3.29Å; T560-G579 WeakPolarHBondContact O-CA 3.48Å; T560-H580 PolarHBondContact N-O 3.12Å; T560-H580 PolarHBondContact O-N 3.39Å; T560-H580 PolarHBondContact O-ND1 3.39Å
561W86.5Confident88Confident12 Ų1223.9 Ų23.95%0.04512%0.123CC..  trans-131-3-171.8-64.789000113M238 H241 L242 F563 N577 K578 G579M238-W561 HydrophobicContact CE-CB 3.25Å; M238-W561 HydrophobicContact CE-CD2 3.68Å; M238-W561 HydrophobicContact CE-CE3 4.06Å; M238-W561 HydrophobicContact CE-CG 3.28Å; M238-W561 HydrophobicContact CG-CD2 4.41Å; M238-W561 HydrophobicContact CG-CE3 3.9Å; M238-W561 HydrophobicContact CG-CZ3 4.31Å; M238-W561 HydrophobicContact SD-CB 4.31Å; H241-W561 HydrophobicContact CB-CH2 3.69Å; H241-W561 HydrophobicContact CB-CZ2 4.33Å; H241-W561 AromaticContact CD2-CH2 3.29Å; H241-W561 WeakPolarHBondContact CD2-CH2 3.34Å; H241-W561 AromaticContact CD2-CZ2 3.35Å; H241-W561 WeakPolarHBondContact CD2-CZ2 3.39Å; H241-W561 AromaticContact CG-CH2 3.45Å; H241-W561 VanDerWaalsContact CG-CH2 3.45Å; H241-W561 AromaticContact CG-CZ2 3.98Å; H241-W561 AromaticContact NE2-CH2 3.88Å; H241-W561 AromaticContact NE2-CZ2 3.96Å; L242-W561 HydrophobicContact CD2-CZ2 4.48Å; W561-F563 PolarHBondContact O-N 2.65Å; W561-N577 WeakPolarHBondContact CZ3-O 3.25Å; W561-N577 PolarHBondContact O-OD1 2.87Å; W561-K578 WeakPolarHBondContact CH2-O 3.38Å; W561-G579 VanDerWaalsContact CE3-N 3.31Å; W561-G579 VanDerWaalsContact CH2-N 3.32Å
562T82.7Confident87.9Confident2 Ų224.3 Ų24.31%0.01213%0.126CC..  trans-61.4116.6177.1-49.50000109.2A104 C564 H580A104-T562 HydrophobicContact CB-CG2 4.48Å; A104-T562 WeakPolarHBondContact O-CG2 3.27Å; T562-C564 HydrophobicContact CG2-CB 4.35Å; T562-C564 PolarHBondContact O-N 3.28Å; T562-H580 PolarHBondContact O-CE1 2.58Å; T562-H580 PolarHBondContact O-NE2 2.93Å
563F84.6Confident87.8Confident10 Ų1023 Ų234%0.04412%0.12CC..  trans-68.898.3172.4-175.7-93.5000109I102 S103 A104 Y209 W561 M570 V574 Y612I102-F563 HydrophobicContact CD1-CD1 4.46Å; I102-F563 HydrophobicContact CD1-CE1 3.55Å; I102-F563 HydrophobicContact CD1-CZ 4.28Å; I102-F563 HydrophobicContact CG1-CE1 4.23Å; S103-F563 CarbonylContact C-O 3.49Å; S103-F563 WeakPolarHBondContact CA-O 3.4Å; A104-F563 HydrophobicContact CB-CB 4.16Å; A104-F563 PolarHBondContact N-O 2.74Å; Y209-F563 VanDerWaalsContact CA-CE1 3.44Å; Y209-F563 HydrophobicContact CD1-CD2 4.35Å; Y209-F563 HydrophobicContact CD1-CE1 4.07Å; Y209-F563 AromaticContact CD1-CE2 3.59Å; Y209-F563 HydrophobicContact CD1-CE2 3.59Å; Y209-F563 AromaticContact CD1-CZ 3.43Å; Y209-F563 HydrophobicContact CD1-CZ 3.43Å; Y209-F563 VanDerWaalsContact CD1-CZ 3.43Å; Y209-F563 HydrophobicContact CE1-CE2 4.23Å; Y209-F563 HydrophobicContact CE1-CZ 4.37Å; Y209-F563 HydrophobicContact CG-CE1 4.4Å; Y209-F563 HydrophobicContact CG-CZ 4.09Å; Y209-F563 VanDerWaalsContact O-CE1 3.31Å; Y209-F563 WeakPolarHBondContact O-CE1 3.4Å; W561-F563 PolarHBondContact O-N 2.65Å; F563-M570 HydrophobicContact CD1-CE 4.05Å; F563-M570 HydrophobicContact CD2-CE 4.27Å; F563-M570 HydrophobicContact CE1-CE 3.63Å; F563-M570 HydrophobicContact CE1-SD 4.17Å; F563-M570 HydrophobicContact CE2-CE 3.84Å; F563-M570 HydrophobicContact CE2-SD 3.88Å; F563-M570 HydrophobicContact CG-CE 4.35Å; F563-M570 HydrophobicContact CZ-CE 3.5Å; F563-M570 VanDerWaalsContact CZ-CE 3.5Å; F563-M570 HydrophobicContact CZ-SD 3.5Å; F563-M570 VanDerWaalsContact CZ-SD 3.5Å; F563-V574 HydrophobicContact CD2-CG1 4Å; F563-V574 WeakPolarHBondContact CD2-O 3.44Å; F563-V574 HydrophobicContact CE2-CG1 4.27Å; F563-Y612 HydrophobicContact CZ-CE1 4.5Å; F563-Y612 HydrophobicContact CZ-CE2 4.39Å; F563-Y612 AromaticContact CZ-CZ 3.92Å
564C88.1Confident87.7Confident4 Ų417.8 Ų17.83%0.02710%0.096CC..EExtended strand (participates in β ladder)trans-147.1159.3179.167.50000113.2I102 S103 F550 T562 M570I102-C564 CarbonylContact O-C 3.48Å; I102-C564 WeakPolarHBondContact O-CA 3.24Å; I102-C564 WeakPolarHBondContact O-CB 3.42Å; S103-C564 WeakPolarHBondContact OG-CB 3.39Å; F550-C564 HydrophobicContact CD1-CB 4.5Å; F550-C564 HydrophobicContact CD2-CB 4.22Å; F550-C564 HydrophobicContact CG-CB 4.23Å; T562-C564 HydrophobicContact CG2-CB 4.35Å; T562-C564 PolarHBondContact O-N 3.28Å; C564-M570 WeakPolarHBondContact O-CE 3.41Å
565G90.6Very high87.6Confident1 Ų117.6 Ų17.61%0.0110%0.095CC..EExtended strand (participates in β ladder)trans125.7-177.3-177.700000112.4I102 R528I102-G565 VanDerWaalsContact CG1-O 3.25Å; I102-G565 WeakPolarHBondContact CG1-O 3.34Å; I102-G565 PolarHBondContact N-O 3.18Å; I102-G565 PolarHBondContact O-N 3.02Å; R528-G565 WeakPolarHBondContact O-CA 3.41Å
566T90.9Very high87.7Confident1 Ų115.5 Ų15.51%0.0068%0.079CC..  trans-94129.5176.7-59.80000109.6D529 K531 E568 Y569 M570D529-T566 PolarHBondContact OD1-N 3.32Å; D529-T566 VanDerWaalsContact OD1-N 3.17Å; D529-T566 PolarHBondContact OD1-OG1 2.82Å; K531-T566 HydrophobicContact CD-CG2 4.26Å; K531-T566 WeakPolarHBondContact CD-OG1 3.38Å; K531-T566 PolarHBondContact NZ-OG1 3.43Å; T566-E568 VanDerWaalsContact C-N 3.33Å; T566-E568 WeakPolarHBondContact CG2-OE2 3.26Å; T566-E568 PolarHBondContact O-N 3.33Å; T566-E568 VanDerWaalsContact O-N 3.13Å; T566-Y569 HydrophobicContact CG2-CD2 4.36Å; T566-Y569 WeakPolarHBondContact O-CA 3.14Å; T566-Y569 PolarHBondContact O-N 2.78Å; T566-M570 PolarHBondContact O-N 2.9Å; T566-M570 VanDerWaalsContact O-N 3.16Å
567P90.8Very high87.9Confident10 Ų1012.6 Ų12.67%0.0657%0.069CC..G310 helixtrans-50.9-42.5-167.7-32.336.8000116.1I102 Y569 M570 T608 Y612 I615I102-P567 HydrophobicContact CD1-CG 4.17Å; P567-Y569 PolarHBondContact O-N 3.47Å; P567-M570 PolarHBondContact O-N 3.18Å; P567-T608 HydrophobicContact CB-CG2 3.7Å; P567-T608 HydrophobicContact CG-CG2 3.69Å; P567-Y612 HydrophobicContact CB-CE1 3.79Å; P567-I615 WeakPolarHBondContact O-CD1 3.48Å
568E94.6Very high88.3Confident32 Ų3217.4 Ų17.415%0.159%0.089CC..G310 helixtrans-69.9-17.1-178.9-57.377.1-166.800113.1T566 V591 P601 T611T566-E568 VanDerWaalsContact C-N 3.33Å; T566-E568 WeakPolarHBondContact CG2-OE2 3.26Å; T566-E568 PolarHBondContact O-N 3.33Å; T566-E568 VanDerWaalsContact O-N 3.13Å; E568-V591 WeakPolarHBondContact O-CG1 3.31Å; E568-P601 HydrophobicContact CB-CB 4.05Å; E568-P601 HydrophobicContact CB-CG 3.92Å; E568-P601 HydrophobicContact CG-CG 4.01Å; E568-T611 HydrophobicContact CG-CG2 4.25Å
569Y97.3Very high88.5Confident3 Ų316.3 Ų16.31%0.0128%0.08CC..G310 helixtrans-106.6-7.6-176.5-77.8-96.2000113.6L530 K531 P532 T566 P567 S588 V591 L592 E595L530-Y569 WeakPolarHBondContact O-CD1 3.43Å; L530-Y569 VanDerWaalsContact O-CE1 3.28Å; L530-Y569 WeakPolarHBondContact O-CE1 3.31Å; L530-Y569 VanDerWaalsContact O-CG 3.22Å; K531-Y569 HydrophobicContact CB-CD2 4.19Å; K531-Y569 HydrophobicContact CB-CE1 4.28Å; K531-Y569 HydrophobicContact CB-CE2 3.96Å; K531-Y569 HydrophobicContact CB-CG 4.48Å; P532-Y569 WeakPolarHBondContact CD-OH 3.49Å; T566-Y569 HydrophobicContact CG2-CD2 4.36Å; T566-Y569 WeakPolarHBondContact O-CA 3.14Å; T566-Y569 PolarHBondContact O-N 2.78Å; P567-Y569 PolarHBondContact O-N 3.47Å; Y569-S588 PolarHBondContact O-OG 3.3Å; Y569-V591 HydrophobicContact CD1-CB 3.74Å; Y569-V591 HydrophobicContact CD1-CG1 3.46Å; Y569-V591 VanDerWaalsContact CD1-CG1 3.46Å; Y569-V591 HydrophobicContact CD2-CG1 4.05Å; Y569-V591 HydrophobicContact CE1-CB 3.88Å; Y569-V591 HydrophobicContact CE1-CG1 3.46Å; Y569-V591 VanDerWaalsContact CE1-CG1 3.46Å; Y569-V591 HydrophobicContact CE2-CG1 3.99Å; Y569-V591 HydrophobicContact CG-CB 4.41Å; Y569-V591 HydrophobicContact CG-CG1 3.79Å; Y569-L592 HydrophobicContact CE1-CB 4.13Å; Y569-E595 WeakPolarHBondContact CE2-OE2 3.04Å; Y569-E595 VanDerWaalsContact CZ-OE2 3.29Å; Y569-E595 VanDerWaalsContact OH-CD 3.27Å; Y569-E595 PolarHBondContact OH-OE2 2.85Å
570M95.2Very high88.8Confident6 Ų614.7 Ų14.73%0.037%0.073CC..  trans-68.6137.9-179.3-78.9179.5148.900111.7I102 F563 C564 T566 P567 V574 I575 W587 Y612I102-M570 HydrophobicContact CD1-CE 4.39Å; I102-M570 HydrophobicContact CG1-CE 4.17Å; F563-M570 HydrophobicContact CD1-CE 4.05Å; F563-M570 HydrophobicContact CD2-CE 4.27Å; F563-M570 HydrophobicContact CE1-CE 3.63Å; F563-M570 HydrophobicContact CE1-SD 4.17Å; F563-M570 HydrophobicContact CE2-CE 3.84Å; F563-M570 HydrophobicContact CE2-SD 3.88Å; F563-M570 HydrophobicContact CG-CE 4.35Å; F563-M570 HydrophobicContact CZ-CE 3.5Å; F563-M570 VanDerWaalsContact CZ-CE 3.5Å; F563-M570 HydrophobicContact CZ-SD 3.5Å; F563-M570 VanDerWaalsContact CZ-SD 3.5Å; C564-M570 WeakPolarHBondContact O-CE 3.41Å; T566-M570 PolarHBondContact O-N 2.9Å; T566-M570 VanDerWaalsContact O-N 3.16Å; P567-M570 PolarHBondContact O-N 3.18Å; M570-V574 HydrophobicContact CE-CG1 4.12Å; M570-I575 HydrophobicContact CB-CD1 4.34Å; M570-I575 HydrophobicContact CB-CG1 4.22Å; M570-W587 PolarHBondContact O-NE1 3.18Å; M570-Y612 HydrophobicContact SD-CE1 4.01Å
571A96.2Very high89.1Confident1 Ų115.8 Ų15.81%0.0088%0.078CC..  trans-80.2152.9175.400000111.5E573 V574 I575 V584 W587A571-E573 VanDerWaalsContact C-N 3.28Å; A571-E573 WeakPolarHBondContact CB-OE2 3.26Å; A571-E573 PolarHBondContact O-N 3.38Å; A571-V574 HydrophobicContact CB-CG2 4.36Å; A571-V574 WeakPolarHBondContact O-CB 3.29Å; A571-V574 PolarHBondContact O-N 3.25Å; A571-I575 PolarHBondContact O-N 3.15Å; A571-V584 HydrophobicContact CB-CB 4.13Å; A571-V584 HydrophobicContact CB-CG1 3.95Å; A571-W587 HydrophobicContact CB-CB 3.91Å; A571-W587 HydrophobicContact CB-CD2 4.18Å; A571-W587 HydrophobicContact CB-CG 3.72Å
572P93.5Very high89.5Confident9 Ų916.2 Ų16.26%0.0588%0.081CC..Hα-helixtrans-54.6-38.5-177.7-27.635.1000114.4V574 I575 L576 W587 I615 L616P572-V574 VanDerWaalsContact C-N 3.3Å; P572-V574 PolarHBondContact O-N 3.37Å; P572-I575 PolarHBondContact O-N 3.2Å; P572-L576 WeakPolarHBondContact O-CB 3.33Å; P572-L576 VanDerWaalsContact O-CG 3.27Å; P572-L576 WeakPolarHBondContact O-CG 3.18Å; P572-L576 PolarHBondContact O-N 3.1Å; P572-W587 HydrophobicContact CG-CE3 4.27Å; P572-W587 HydrophobicContact CG-CH2 3.6Å; P572-W587 HydrophobicContact CG-CZ2 4.09Å; P572-W587 HydrophobicContact CG-CZ3 3.69Å; P572-I615 HydrophobicContact CG-CG2 3.93Å; P572-L616 HydrophobicContact CB-CD2 4.1Å
573E91.8Very high90.1Very high12 Ų1216.1 Ų16.16%0.0568%0.081CC..Hα-helixtrans-68.6-25.8179.870.2-84.6-15400113.6A571 N577 K578 H580 V584 P644 R647A571-E573 VanDerWaalsContact C-N 3.28Å; A571-E573 WeakPolarHBondContact CB-OE2 3.26Å; A571-E573 PolarHBondContact O-N 3.38Å; E573-N577 PolarHBondContact O-N 3.13Å; E573-K578 HydrophobicContact CB-CB 4.31Å; E573-K578 PolarHBondContact O-N 2.85Å; E573-H580 HydrophobicContact CG-CB 3.99Å; E573-V584 HydrophobicContact CG-CG1 4.41Å; E573-V584 WeakPolarHBondContact OE1-CG1 3.39Å; E573-P644 HydrophobicContact CG-CG 4.23Å; E573-R647 VanDerWaalsContact CD-NH2 3.32Å; E573-R647 IonicContact OE1-CZ 3.82Å; E573-R647 IonicContact OE1-NH1 3.42Å; E573-R647 PolarHBondContact OE1-NH1 3.32Å; E573-R647 IonicContact OE1-NH2 3.14Å; E573-R647 PolarHBondContact OE1-NH2 3.1Å; E573-R647 IonicContact OE2-CZ 3.88Å; E573-R647 IonicContact OE2-NH1 3.39Å; E573-R647 IonicContact OE2-NH2 3.69Å; E573-R647 PolarHBondContact OE2-NH2 3.02Å
574V91.1Very high90.7Very high5 Ų515.9 Ų15.93%0.038%0.08CC..Hα-helixtrans-71.3-46.3172.3-177.60000109.1F563 M570 A571 P572 N577 H580 V584F563-V574 HydrophobicContact CD2-CG1 4Å; F563-V574 WeakPolarHBondContact CD2-O 3.44Å; F563-V574 HydrophobicContact CE2-CG1 4.27Å; M570-V574 HydrophobicContact CE-CG1 4.12Å; A571-V574 HydrophobicContact CB-CG2 4.36Å; A571-V574 WeakPolarHBondContact O-CB 3.29Å; A571-V574 PolarHBondContact O-N 3.25Å; P572-V574 VanDerWaalsContact C-N 3.3Å; P572-V574 PolarHBondContact O-N 3.37Å; V574-N577 PolarHBondContact O-N 3.42Å; V574-N577 VanDerWaalsContact O-N 3.16Å; V574-H580 HydrophobicContact CG2-CB 4.02Å; V574-V584 HydrophobicContact CG2-CG1 3.7Å
575I86.8Confident91.2Very high6 Ų615.7 Ų15.73%0.0318%0.079CC..Hα-helixtrans-63.3-42.8178.8-61.6169.1000111.5Y209 M570 A571 P572 N577 Y612 I615 L616Y209-I575 HydrophobicContact CE1-CG2 3.96Å; M570-I575 HydrophobicContact CB-CD1 4.34Å; M570-I575 HydrophobicContact CB-CG1 4.22Å; A571-I575 PolarHBondContact O-N 3.15Å; P572-I575 PolarHBondContact O-N 3.2Å; I575-N577 PolarHBondContact O-N 3.28Å; I575-Y612 HydrophobicContact CD1-CD1 3.63Å; I575-Y612 HydrophobicContact CD1-CE1 4.39Å; I575-Y612 HydrophobicContact CD1-CG 4.2Å; I575-Y612 HydrophobicContact CG1-CD1 3.97Å; I575-Y612 HydrophobicContact CG1-CE1 4.39Å; I575-Y612 HydrophobicContact CG1-CG 4.45Å; I575-Y612 HydrophobicContact CG2-CG 4.21Å; I575-I615 HydrophobicContact CD1-CB 3.84Å; I575-I615 HydrophobicContact CD1-CD1 3.73Å; I575-I615 HydrophobicContact CD1-CG1 4.38Å; I575-I615 HydrophobicContact CD1-CG2 3.51Å; I575-L616 HydrophobicContact CB-CD2 4.4Å; I575-L616 HydrophobicContact CG2-CD1 4.13Å; I575-L616 HydrophobicContact CG2-CD2 4.21Å; I575-L616 HydrophobicContact CG2-CG 4.3Å
576L83Confident91.5Very high50 Ų5015.8 Ų15.826%0.2628%0.079SC..THydrogen-bonded Turntrans-79.3-1.4179-64.7174.4000113.2P572 K578 L616P572-L576 WeakPolarHBondContact O-CB 3.33Å; P572-L576 VanDerWaalsContact O-CG 3.27Å; P572-L576 WeakPolarHBondContact O-CG 3.18Å; P572-L576 PolarHBondContact O-N 3.1Å; L576-K578 HydrophobicContact CB-CD 4.14Å; L576-K578 HydrophobicContact CB-CG 3.96Å; L576-K578 HydrophobicContact CD1-CD 4.29Å; L576-K578 PolarHBondContact O-N 3.01Å; L576-L616 HydrophobicContact CD1-CD2 3.95Å; L576-L616 HydrophobicContact CD2-CD1 4.02Å; L576-L616 HydrophobicContact CD2-CD2 3.84Å; L576-L616 HydrophobicContact CG-CD2 3.66Å
577N79.1Confident91.9Very high25 Ų2515.7 Ų15.713%0.1348%0.079CC..THydrogen-bonded Turntrans46.958.8-175.1-163.846.4000111.1W561 E573 V574 I575W561-N577 WeakPolarHBondContact CZ3-O 3.25Å; W561-N577 PolarHBondContact O-OD1 2.87Å; E573-N577 PolarHBondContact O-N 3.13Å; V574-N577 PolarHBondContact O-N 3.42Å; V574-N577 VanDerWaalsContact O-N 3.16Å; I575-N577 PolarHBondContact O-N 3.28Å
578K79.8Confident92.3Very high106 Ų10615.5 Ų15.546%0.4618%0.077SC..SBendtrans-103.99.8177.6-70.2-177.3176178.80113.2K559 W561 E573 L576K559-K578 PolarHBondContact NZ-O 3.33Å; W561-K578 WeakPolarHBondContact CH2-O 3.38Å; E573-K578 HydrophobicContact CB-CB 4.31Å; E573-K578 PolarHBondContact O-N 2.85Å; L576-K578 HydrophobicContact CB-CD 4.14Å; L576-K578 HydrophobicContact CB-CG 3.96Å; L576-K578 HydrophobicContact CD1-CD 4.29Å; L576-K578 PolarHBondContact O-N 3.01Å
579G83.5Confident92.5Very high3 Ų314 Ų143%0.0317%0.07CC..  trans71.3145-170.200000111.6T560 W561T560-G579 CarbonylContact O-C 3.54Å; T560-G579 VanDerWaalsContact O-CA 3.29Å; T560-G579 WeakPolarHBondContact O-CA 3.48Å; W561-G579 VanDerWaalsContact CE3-N 3.31Å; W561-G579 VanDerWaalsContact CH2-N 3.32Å
580H91.9Very high92.5Very high4 Ų413.8 Ų13.82%0.0197%0.07CC..BIsolated β-bridgetrans-138.9157.2-173.252.9-78.5000113.1K559 T560 T562 E573 V574 V584K559-H580 WeakPolarHBondContact CA-O 3.22Å; T560-H580 PolarHBondContact N-O 3.12Å; T560-H580 PolarHBondContact O-N 3.39Å; T560-H580 PolarHBondContact O-ND1 3.39Å; T562-H580 PolarHBondContact O-CE1 2.58Å; T562-H580 PolarHBondContact O-NE2 2.93Å; E573-H580 HydrophobicContact CG-CB 3.99Å; V574-H580 HydrophobicContact CG2-CB 4.02Å; H580-V584 HydrophobicContact CB-CG1 3.52Å
581D92.8Very high92.7Very high29 Ų2913.5 Ų13.516%0.1557%0.068CC..  trans-137-159.5178.272.8-0.3000110.7V526 L554 A583 V584V526-D581 WeakPolarHBondContact CG2-O 3.28Å; L554-D581 HydrophobicContact CD1-CB 4.04Å; D581-A583 PolarHBondContact O-N 2.79Å; D581-A583 WeakPolarHBondContact OD1-CB 3.46Å; D581-A583 PolarHBondContact OD1-N 2.95Å; D581-V584 WeakPolarHBondContact O-CG2 3.24Å; D581-V584 PolarHBondContact O-N 3.14Å
582I95.1Very high92.8Very high21 Ų2113.5 Ų13.511%0.1087%0.068CC..THydrogen-bonded Turntrans-54.4-17.8178.562.8169.3000114.8H521 V526 V584 D585 H586 I650H521-I582 HydrophobicContact CB-CD1 4.17Å; H521-I582 HydrophobicContact CB-CG2 4.46Å; V526-I582 HydrophobicContact CB-CG2 4.18Å; I582-V584 PolarHBondContact O-N 2.94Å; I582-D585 PolarHBondContact O-N 2.83Å; I582-H586 PolarHBondContact O-ND1 2.94Å; I582-I650 HydrophobicContact CG1-CD1 4.46Å
583A95Very high93Very high1 Ų113 Ų131%0.0087%0.065CC..Hα-helixtrans-63.5-23.4177.900000112.9D581 D585 H586 W587 P644 R647 I650D581-A583 PolarHBondContact O-N 2.79Å; D581-A583 WeakPolarHBondContact OD1-CB 3.46Å; D581-A583 PolarHBondContact OD1-N 2.95Å; A583-D585 VanDerWaalsContact C-N 3.29Å; A583-D585 PolarHBondContact O-N 2.77Å; A583-H586 WeakPolarHBondContact O-CB 3.33Å; A583-H586 PolarHBondContact O-N 3.42Å; A583-W587 PolarHBondContact O-N 3.24Å; A583-P644 HydrophobicContact CB-CB 3.73Å; A583-R647 VanDerWaalsContact C-NH1 3.25Å; A583-R647 WeakPolarHBondContact O-CD 3.31Å; A583-R647 PolarHBondContact O-NH1 2.95Å; A583-I650 HydrophobicContact CB-CD1 3.84Å
584V97.7Very high93.3Very high5 Ų513 Ų133%0.037%0.065CC..Hα-helixtrans-65.5-33.8176.9-57.60000112.1V526 R528 A571 E573 V574 H580 D581 I582 H586 W587 S588V526-V584 HydrophobicContact CG2-CG2 3.53Å; R528-V584 HydrophobicContact CG-CG2 4.06Å; A571-V584 HydrophobicContact CB-CB 4.13Å; A571-V584 HydrophobicContact CB-CG1 3.95Å; E573-V584 HydrophobicContact CG-CG1 4.41Å; E573-V584 WeakPolarHBondContact OE1-CG1 3.39Å; V574-V584 HydrophobicContact CG2-CG1 3.7Å; H580-V584 HydrophobicContact CB-CG1 3.52Å; D581-V584 WeakPolarHBondContact O-CG2 3.24Å; D581-V584 PolarHBondContact O-N 3.14Å; I582-V584 PolarHBondContact O-N 2.94Å; V584-H586 VanDerWaalsContact C-N 3.26Å; V584-H586 PolarHBondContact O-N 3.28Å; V584-W587 WeakPolarHBondContact O-CB 3.47Å; V584-W587 PolarHBondContact O-N 3.32Å; V584-S588 PolarHBondContact O-N 3.01Å; V584-S588 PolarHBondContact O-OG 3.19Å; V584-S588 VanDerWaalsContact O-OG 3.12Å
585D98.3Very high93.7Very high0 Ų012.8 Ų12.80%06%0.064CC..Hα-helixtrans-70.1-27.9178.8-63.2-29.4000111.4L517 H521 Y527 R528 I582 A583 L589L517-D585 HydrophobicContact CD1-CB 4.2Å; L517-D585 HydrophobicContact CD2-CB 4.01Å; H521-D585 IonicContact CD2-OD2 3.61Å; H521-D585 IonicContact CE1-OD2 3Å; H521-D585 WeakPolarHBondContact NE2-CB 3.35Å; H521-D585 IonicContact NE2-OD2 2.82Å; H521-D585 PolarHBondContact NE2-OD2 2.88Å; Y527-D585 PolarHBondContact N-OD1 3.27Å; Y527-D585 PolarHBondContact N-OD2 2.94Å; R528-D585 PolarHBondContact N-OD1 3.08Å; I582-D585 PolarHBondContact O-N 2.83Å; A583-D585 VanDerWaalsContact C-N 3.29Å; A583-D585 PolarHBondContact O-N 2.77Å; D585-L589 WeakPolarHBondContact O-CB 3.37Å; D585-L589 PolarHBondContact O-N 2.99Å
586H98.2Very high94.2Very high2 Ų212.5 Ų12.51%0.0096%0.062CC..Hα-helixtrans-67-42172.9-62.671000110.8H521 I582 A583 V584 L589 G590 L639 R647 Y648 G649 L655H521-H586 AromaticContact CE1-CE1 3.58Å; H521-H586 AromaticContact CE1-ND1 3.81Å; H521-H586 AromaticContact ND1-CE1 3.52Å; I582-H586 PolarHBondContact O-ND1 2.94Å; A583-H586 WeakPolarHBondContact O-CB 3.33Å; A583-H586 PolarHBondContact O-N 3.42Å; V584-H586 VanDerWaalsContact C-N 3.26Å; V584-H586 PolarHBondContact O-N 3.28Å; H586-L589 WeakPolarHBondContact O-CB 3.49Å; H586-L589 PolarHBondContact O-N 2.89Å; H586-G590 PolarHBondContact O-N 3.17Å; H586-L639 HydrophobicContact CB-CD2 4.47Å; H586-R647 HydrophobicContact CB-CB 4.33Å; H586-Y648 PolarHBondContact CD2-O 3.12Å; H586-Y648 VanDerWaalsContact CD2-O 3.3Å; H586-G649 VanDerWaalsContact NE2-C 3.32Å; H586-G649 PolarHBondContact NE2-O 3.44Å; H586-L655 WeakPolarHBondContact CD2-CD1 3.36Å; H586-L655 VanDerWaalsContact NE2-CD1 3.31Å; H586-L655 WeakPolarHBondContact NE2-CD1 3.13Å
587W98.5Very high94.9Very high0 Ų010.3 Ų10.30%05%0.051CC..Hα-helixtrans-60.8-52.3173172.2-82.6000110.9M570 A571 P572 A583 V584 L589 G590 V591 F603 I615 C640M570-W587 PolarHBondContact O-NE1 3.18Å; A571-W587 HydrophobicContact CB-CB 3.91Å; A571-W587 HydrophobicContact CB-CD2 4.18Å; A571-W587 HydrophobicContact CB-CG 3.72Å; P572-W587 HydrophobicContact CG-CE3 4.27Å; P572-W587 HydrophobicContact CG-CH2 3.6Å; P572-W587 HydrophobicContact CG-CZ2 4.09Å; P572-W587 HydrophobicContact CG-CZ3 3.69Å; A583-W587 PolarHBondContact O-N 3.24Å; V584-W587 WeakPolarHBondContact O-CB 3.47Å; V584-W587 PolarHBondContact O-N 3.32Å; W587-L589 PolarHBondContact O-N 2.86Å; W587-G590 WeakPolarHBondContact O-CA 3.27Å; W587-G590 PolarHBondContact O-N 2.76Å; W587-V591 PolarHBondContact O-N 2.98Å; W587-F603 AromaticContact CE2-CE2 3.85Å; W587-F603 AromaticContact CH2-CE2 3.95Å; W587-F603 HydrophobicContact CH2-CE2 3.95Å; W587-F603 AromaticContact CH2-CZ 3.73Å; W587-F603 HydrophobicContact CH2-CZ 3.73Å; W587-F603 HydrophobicContact CZ2-CD2 4.04Å; W587-F603 AromaticContact CZ2-CE2 3.21Å; W587-F603 HydrophobicContact CZ2-CE2 3.21Å; W587-F603 AromaticContact CZ2-CZ 3.5Å; W587-F603 HydrophobicContact CZ2-CZ 3.5Å; W587-F603 VanDerWaalsContact CZ2-CZ 3.5Å; W587-I615 HydrophobicContact CH2-CG2 4.33Å; W587-I615 HydrophobicContact CZ2-CG2 3.8Å; W587-C640 HydrophobicContact CD2-CB 4.29Å; W587-C640 VanDerWaalsContact CE3-CA 3.47Å; W587-C640 HydrophobicContact CE3-CB 3.86Å; W587-C640 HydrophobicContact CH2-CB 4.25Å; W587-C640 HydrophobicContact CZ3-CB 3.84Å; W587-C640 VanDerWaalsContact CZ3-O 3.24Å; W587-C640 WeakPolarHBondContact CZ3-O 3.41Å
588S98.6Very high95.7Very high5 Ų510.2 Ų10.24%0.0355%0.051CC..Hα-helixtrans-62-29.3-179.8-52.50000112.2Y569 V584 V591 L592Y569-S588 PolarHBondContact O-OG 3.3Å; V584-S588 PolarHBondContact O-N 3.01Å; V584-S588 PolarHBondContact O-OG 3.19Å; V584-S588 VanDerWaalsContact O-OG 3.12Å; S588-V591 PolarHBondContact O-N 2.79Å; S588-L592 WeakPolarHBondContact O-CB 3.39Å; S588-L592 PolarHBondContact O-N 2.95Å
589L98.7Very high96.4Very high0 Ų05.8 Ų5.80%04%0.035CC..Hα-helixtrans-65.8-37.9172-175.365.8000112.1V510 V513 V514 L530 D585 H586 W587 L592 L593 L639 L655 I658V510-L589 HydrophobicContact CG1-CD1 4.02Å; V513-L589 HydrophobicContact CB-CD1 4.28Å; V513-L589 HydrophobicContact CG1-CD1 3.74Å; V514-L589 HydrophobicContact CG2-CD1 4.47Å; V514-L589 HydrophobicContact CG2-CD2 3.67Å; L530-L589 HydrophobicContact CD2-CB 4.2Å; L530-L589 HydrophobicContact CD2-CD1 4.26Å; D585-L589 WeakPolarHBondContact O-CB 3.37Å; D585-L589 PolarHBondContact O-N 2.99Å; H586-L589 WeakPolarHBondContact O-CB 3.49Å; H586-L589 PolarHBondContact O-N 2.89Å; W587-L589 PolarHBondContact O-N 2.86Å; L589-L592 HydrophobicContact CD1-CD2 4.38Å; L589-L592 PolarHBondContact O-N 2.82Å; L589-L593 VanDerWaalsContact O-CB 3.31Å; L589-L593 WeakPolarHBondContact O-CB 3.45Å; L589-L593 PolarHBondContact O-N 2.9Å; L589-L639 HydrophobicContact CD2-CD1 4.31Å; L589-L639 HydrophobicContact CD2-CD2 4.4Å; L589-L639 HydrophobicContact CG-CD1 4.23Å; L589-L655 HydrophobicContact CD2-CD1 4.05Å; L589-L655 HydrophobicContact CD2-CD2 4.41Å; L589-I658 HydrophobicContact CD2-CD1 3.45Å; L589-I658 VanDerWaalsContact CD2-CD1 3.45Å
590G98.5Very high96.9Very high0 Ų07 Ų70%04%0.041CC..Hα-helixtrans-65.6-40.1173.100000112.5H586 W587 F594H586-G590 PolarHBondContact O-N 3.17Å; W587-G590 WeakPolarHBondContact O-CA 3.27Å; W587-G590 PolarHBondContact O-N 2.76Å; G590-F594 PolarHBondContact O-N 3.26Å; G590-F594 VanDerWaalsContact O-N 3.08Å
591V98.6Very high97.1Very high0 Ų07.1 Ų7.10%04%0.042CC..Hα-helixtrans-61.7-48.4172.5178.90000110.6E568 Y569 W587 S588 L593 F594 E595 P601 P602 F603E568-V591 WeakPolarHBondContact O-CG1 3.31Å; Y569-V591 HydrophobicContact CD1-CB 3.74Å; Y569-V591 HydrophobicContact CD1-CG1 3.46Å; Y569-V591 VanDerWaalsContact CD1-CG1 3.46Å; Y569-V591 HydrophobicContact CD2-CG1 4.05Å; Y569-V591 HydrophobicContact CE1-CB 3.88Å; Y569-V591 HydrophobicContact CE1-CG1 3.46Å; Y569-V591 VanDerWaalsContact CE1-CG1 3.46Å; Y569-V591 HydrophobicContact CE2-CG1 3.99Å; Y569-V591 HydrophobicContact CG-CB 4.41Å; Y569-V591 HydrophobicContact CG-CG1 3.79Å; W587-V591 PolarHBondContact O-N 2.98Å; S588-V591 PolarHBondContact O-N 2.79Å; V591-L593 PolarHBondContact O-N 2.96Å; V591-F594 PolarHBondContact O-N 3.27Å; V591-E595 PolarHBondContact O-N 3.12Å; V591-P601 HydrophobicContact CG1-CB 4.1Å; V591-P602 HydrophobicContact CG1-CG 4.39Å; V591-P602 HydrophobicContact CG2-CG 4.37Å; V591-F603 HydrophobicContact CG2-CD2 4.26Å; V591-F603 HydrophobicContact CG2-CE2 4Å
592L98.6Very high97.3Very high0 Ų06.4 Ų6.40%04%0.039CC..Hα-helixtrans-58.5-49.3177.3-179.769.5000111.2V513 L530 P532 I535 Y569 S588 L589 F594 E595 L596V513-L592 HydrophobicContact CB-CD2 4.43Å; V513-L592 HydrophobicContact CG1-CD2 4.23Å; V513-L592 HydrophobicContact CG2-CD2 3.97Å; L530-L592 HydrophobicContact CD1-CD2 4.24Å; L530-L592 HydrophobicContact CD2-CB 4.3Å; L530-L592 HydrophobicContact CD2-CD2 4.02Å; L530-L592 HydrophobicContact CG-CD2 4.2Å; P532-L592 HydrophobicContact CG-CD1 3.79Å; I535-L592 HydrophobicContact CD1-CD1 3.91Å; I535-L592 HydrophobicContact CD1-CD2 3.71Å; I535-L592 HydrophobicContact CD1-CG 4.49Å; Y569-L592 HydrophobicContact CE1-CB 4.13Å; S588-L592 WeakPolarHBondContact O-CB 3.39Å; S588-L592 PolarHBondContact O-N 2.95Å; L589-L592 HydrophobicContact CD1-CD2 4.38Å; L589-L592 PolarHBondContact O-N 2.82Å; L592-F594 VanDerWaalsContact C-N 3.27Å; L592-F594 PolarHBondContact O-N 2.79Å; L592-E595 PolarHBondContact O-N 2.85Å; L592-L596 HydrophobicContact CD1-CD1 4.31Å; L592-L596 HydrophobicContact CD1-CD2 4.28Å; L592-L596 HydrophobicContact CD1-CG 4.09Å; L592-L596 HydrophobicContact CG-CD1 4.12Å; L592-L596 HydrophobicContact CG-CG 4.22Å; L592-L596 WeakPolarHBondContact O-CB 3.4Å; L592-L596 VanDerWaalsContact O-CG 3.28Å; L592-L596 WeakPolarHBondContact O-CG 3.44Å; L592-L596 PolarHBondContact O-N 2.85Å
593L98.4Very high97.3Very high0 Ų05.4 Ų5.40%03%0.034CC..Hα-helixtrans-54.9-45.1178.2171.665000111.5T506 V510 L589 V591 L597 L635 V636 L639 W663T506-L593 HydrophobicContact CG2-CD1 3.65Å; V510-L593 HydrophobicContact CG2-CB 4.32Å; V510-L593 HydrophobicContact CG2-CD1 3.96Å; L589-L593 VanDerWaalsContact O-CB 3.31Å; L589-L593 WeakPolarHBondContact O-CB 3.45Å; L589-L593 PolarHBondContact O-N 2.9Å; V591-L593 PolarHBondContact O-N 2.96Å; L593-L597 HydrophobicContact CD1-CD1 4Å; L593-L597 HydrophobicContact CG-CD1 4.4Å; L593-L597 WeakPolarHBondContact O-CD1 3.21Å; L593-L597 WeakPolarHBondContact O-CG 3.46Å; L593-L597 PolarHBondContact O-N 2.76Å; L593-L635 HydrophobicContact CD2-CB 3.96Å; L593-L635 HydrophobicContact CD2-CD2 3.77Å; L593-L635 HydrophobicContact CD2-CG 3.76Å; L593-V636 HydrophobicContact CB-CG2 4.29Å; L593-V636 HydrophobicContact CD2-CG2 3.5Å; L593-V636 HydrophobicContact CG-CG2 3.73Å; L593-L639 HydrophobicContact CD2-CD1 4.44Å; L593-W663 HydrophobicContact CD1-CE3 4.3Å; L593-W663 HydrophobicContact CD1-CH2 3.2Å; L593-W663 HydrophobicContact CD1-CZ2 3.6Å; L593-W663 HydrophobicContact CD1-CZ3 3.59Å
594F98.3Very high97Very high11 Ų118.6 Ų8.65%0.0485%0.049CC..Hα-helixtrans-63.6-52176.7-174.9-77.1000110.9G590 V591 L592 L596 L597 T598 L600 P602 V622 F624 M628 V636G590-F594 PolarHBondContact O-N 3.26Å; G590-F594 VanDerWaalsContact O-N 3.08Å; V591-F594 PolarHBondContact O-N 3.27Å; L592-F594 VanDerWaalsContact C-N 3.27Å; L592-F594 PolarHBondContact O-N 2.79Å; F594-L596 VanDerWaalsContact C-N 3.34Å; F594-L596 PolarHBondContact O-N 3.27Å; F594-L597 PolarHBondContact O-N 3.42Å; F594-T598 HydrophobicContact CD1-CG2 4.01Å; F594-T598 WeakPolarHBondContact CD1-OG1 3.46Å; F594-T598 HydrophobicContact CE1-CG2 3.75Å; F594-T598 HydrophobicContact CE2-CG2 4.47Å; F594-T598 HydrophobicContact CG-CG2 4.49Å; F594-T598 HydrophobicContact CZ-CG2 4.01Å; F594-T598 WeakPolarHBondContact O-CG2 3.37Å; F594-T598 PolarHBondContact O-N 3.27Å; F594-T598 VanDerWaalsContact O-N 3.12Å; F594-T598 PolarHBondContact O-OG1 2.94Å; F594-L600 WeakPolarHBondContact CD1-O 3.46Å; F594-L600 VanDerWaalsContact CE1-O 3.28Å; F594-L600 WeakPolarHBondContact CE1-O 3.37Å; F594-P602 HydrophobicContact CB-CB 4.41Å; F594-P602 HydrophobicContact CB-CG 4.11Å; F594-P602 HydrophobicContact CD1-CB 3.74Å; F594-P602 VanDerWaalsContact CD1-CD 3.49Å; F594-P602 HydrophobicContact CD1-CG 4.07Å; F594-P602 HydrophobicContact CD2-CB 3.91Å; F594-P602 HydrophobicContact CD2-CG 4.5Å; F594-P602 VanDerWaalsContact CE1-CA 3.5Å; F594-P602 HydrophobicContact CE1-CB 3.86Å; F594-P602 HydrophobicContact CE2-CB 4.03Å; F594-P602 HydrophobicContact CG-CB 3.77Å; F594-P602 HydrophobicContact CG-CG 3.99Å; F594-P602 HydrophobicContact CZ-CB 4Å; F594-V622 HydrophobicContact CE2-CG1 4.22Å; F594-V622 HydrophobicContact CZ-CG1 4.26Å; F594-F624 HydrophobicContact CD2-CD1 4.11Å; F594-F624 AromaticContact CD2-CE1 3.8Å; F594-F624 HydrophobicContact CD2-CE1 3.8Å; F594-F624 HydrophobicContact CD2-CZ 4.46Å; F594-F624 AromaticContact CE2-CD1 3.86Å; F594-F624 HydrophobicContact CE2-CD1 3.86Å; F594-F624 AromaticContact CE2-CE1 3.94Å; F594-F624 HydrophobicContact CE2-CE1 3.94Å; F594-F624 HydrophobicContact CE2-CG 4.45Å; F594-M628 HydrophobicContact CB-CE 4.44Å; F594-M628 HydrophobicContact CD2-CE 3.63Å; F594-M628 HydrophobicContact CD2-SD 4.5Å; F594-M628 HydrophobicContact CE2-CE 4.09Å; F594-M628 HydrophobicContact CG-CE 4.08Å; F594-V636 HydrophobicContact CB-CG1 4.3Å; F594-V636 HydrophobicContact CB-CG2 4.25Å; F594-V636 HydrophobicContact CD2-CG1 4.32Å
595E97.7Very high96.5Very high1 Ų19.1 Ų9.11%0.0055%0.052CC..Hα-helixtrans-59.8-41.9-177.3-175.8174.1155.500112.2R96 L495 Y569 V591 L592 L597 T598 G599 L600R96-E595 WeakPolarHBondContact CD-OE1 3.49Å; R96-E595 IonicContact CZ-OE1 2.76Å; R96-E595 IonicContact CZ-OE2 3.62Å; R96-E595 IonicContact NE-OE1 3.53Å; R96-E595 PolarHBondContact NE-OE1 3.49Å; R96-E595 IonicContact NE-OE2 3.87Å; R96-E595 IonicContact NH1-OE1 3.92Å; R96-E595 PolarHBondContact NH1-OE1 2.9Å; R96-E595 IonicContact NH1-OE2 2.78Å; R96-E595 PolarHBondContact NH1-OE2 3.1Å; L495-E595 HydrophobicContact CD2-CG 4.05Å; Y569-E595 WeakPolarHBondContact CE2-OE2 3.04Å; Y569-E595 VanDerWaalsContact CZ-OE2 3.29Å; Y569-E595 VanDerWaalsContact OH-CD 3.27Å; Y569-E595 PolarHBondContact OH-OE2 2.85Å; V591-E595 PolarHBondContact O-N 3.12Å; L592-E595 PolarHBondContact O-N 2.85Å; E595-L597 PolarHBondContact O-N 3.36Å; E595-T598 PolarHBondContact O-N 2.84Å; E595-G599 VanDerWaalsContact O-CA 3.28Å; E595-G599 WeakPolarHBondContact O-CA 3.36Å; E595-G599 PolarHBondContact O-N 3.16Å; E595-L600 WeakPolarHBondContact CA-O 3.14Å
596L97.8Very high95.5Very high0 Ų015.9 Ų15.90%010%0.096CC..Hα-helixtrans-61.8-31.2177.3-68.5-172.4000112.3L491 L495 F501 T506 V510 L592 F594L491-L596 HydrophobicContact CD2-CD2 4.14Å; L495-L596 HydrophobicContact CD1-CD2 4.28Å; L495-L596 HydrophobicContact CD2-CD2 4.09Å; F501-L596 WeakPolarHBondContact CB-O 3.31Å; F501-L596 HydrophobicContact CD2-CB 4.17Å; F501-L596 HydrophobicContact CD2-CD1 4.48Å; F501-L596 HydrophobicContact CD2-CD2 3.88Å; F501-L596 HydrophobicContact CD2-CG 4.39Å; F501-L596 HydrophobicContact CE2-CD2 3.74Å; F501-L596 PolarHBondContact N-O 3.2Å; T506-L596 HydrophobicContact CG2-CB 3.79Å; T506-L596 HydrophobicContact CG2-CD1 4.17Å; V510-L596 HydrophobicContact CG2-CD1 4.21Å; L592-L596 HydrophobicContact CD1-CD1 4.31Å; L592-L596 HydrophobicContact CD1-CD2 4.28Å; L592-L596 HydrophobicContact CD1-CG 4.09Å; L592-L596 HydrophobicContact CG-CD1 4.12Å; L592-L596 HydrophobicContact CG-CG 4.22Å; L592-L596 WeakPolarHBondContact O-CB 3.4Å; L592-L596 VanDerWaalsContact O-CG 3.28Å; L592-L596 WeakPolarHBondContact O-CG 3.44Å; L592-L596 PolarHBondContact O-N 2.85Å; F594-L596 VanDerWaalsContact C-N 3.34Å; F594-L596 PolarHBondContact O-N 3.27Å
597L97.6Very high94.5Very high4 Ų418.4 Ų18.42%0.02111%0.11CC..Hα-helixtrans-85.9-19.7-179-72.5168.9000114.2E503 T506 L593 F594 E595 R627 M628 A632 W663E503-L597 HydrophobicContact CG-CD2 4.27Å; T506-L597 HydrophobicContact CG2-CD1 4.35Å; T506-L597 HydrophobicContact CG2-CD2 4.07Å; T506-L597 HydrophobicContact CG2-CG 3.85Å; T506-L597 WeakPolarHBondContact OG1-CD2 3.39Å; L593-L597 HydrophobicContact CD1-CD1 4Å; L593-L597 HydrophobicContact CG-CD1 4.4Å; L593-L597 WeakPolarHBondContact O-CD1 3.21Å; L593-L597 WeakPolarHBondContact O-CG 3.46Å; L593-L597 PolarHBondContact O-N 2.76Å; F594-L597 PolarHBondContact O-N 3.42Å; E595-L597 PolarHBondContact O-N 3.36Å; L597-R627 VanDerWaalsContact O-CZ 3.26Å; L597-R627 PolarHBondContact O-NE 2.76Å; L597-R627 PolarHBondContact O-NH2 2.68Å; L597-M628 HydrophobicContact CB-CE 3.87Å; L597-M628 HydrophobicContact CD1-CE 3.9Å; L597-M628 HydrophobicContact CD1-CG 4.1Å; L597-M628 HydrophobicContact CD1-SD 4.31Å; L597-A632 HydrophobicContact CD1-CB 3.84Å; L597-W663 HydrophobicContact CD1-CZ2 4.49Å
598T95.8Very high93.7Very high23 Ų2321.1 Ų21.114%0.14113%0.126CC..Hα-helixtrans-120.9-20.6-171.461.30000113.5F594 E595 L600 P625 M628F594-T598 HydrophobicContact CD1-CG2 4.01Å; F594-T598 WeakPolarHBondContact CD1-OG1 3.46Å; F594-T598 HydrophobicContact CE1-CG2 3.75Å; F594-T598 HydrophobicContact CE2-CG2 4.47Å; F594-T598 HydrophobicContact CG-CG2 4.49Å; F594-T598 HydrophobicContact CZ-CG2 4.01Å; F594-T598 WeakPolarHBondContact O-CG2 3.37Å; F594-T598 PolarHBondContact O-N 3.27Å; F594-T598 VanDerWaalsContact O-N 3.12Å; F594-T598 PolarHBondContact O-OG1 2.94Å; E595-T598 PolarHBondContact O-N 2.84Å; T598-L600 VanDerWaalsContact C-N 3.29Å; T598-L600 PolarHBondContact OG1-N 2.71Å; T598-L600 PolarHBondContact OG1-O 3.27Å; T598-P625 HydrophobicContact CG2-CG 3.85Å; T598-M628 HydrophobicContact CG2-CE 3.9Å
599G95Very high92.8Very high13 Ų1321.5 Ų21.513%0.13413%0.128CC..SBendtrans85-7.3-170.900000114.6Y499 E595Y499-G599 WeakPolarHBondContact O-CA 3.4Å; E595-G599 VanDerWaalsContact O-CA 3.28Å; E595-G599 WeakPolarHBondContact O-CA 3.36Å; E595-G599 PolarHBondContact O-N 3.16Å
600L94.6Very high92.1Very high28 Ų2829.8 Ų29.815%0.14716%0.159CC..SBendtrans-140.5140.3-174.8-65.7170.2000110.9Q94 R96 F594 E595 T598 E604Q94-L600 HydrophobicContact CB-CD1 4.34Å; R96-L600 HydrophobicContact CB-CD2 3.91Å; R96-L600 HydrophobicContact CG-CD2 4.39Å; F594-L600 WeakPolarHBondContact CD1-O 3.46Å; F594-L600 VanDerWaalsContact CE1-O 3.28Å; F594-L600 WeakPolarHBondContact CE1-O 3.37Å; E595-L600 WeakPolarHBondContact CA-O 3.14Å; T598-L600 VanDerWaalsContact C-N 3.29Å; T598-L600 PolarHBondContact OG1-N 2.71Å; T598-L600 PolarHBondContact OG1-O 3.27Å; L600-E604 WeakPolarHBondContact CD2-OE2 3.27Å
601P96.2Very high91.7Very high7 Ų729.8 Ų29.85%0.04516%0.159CC..  trans-63.2154.7176.224.9-31.4000111.8E568 V591 F603 E604E568-P601 HydrophobicContact CB-CB 4.05Å; E568-P601 HydrophobicContact CB-CG 3.92Å; E568-P601 HydrophobicContact CG-CG 4.01Å; V591-P601 HydrophobicContact CG1-CB 4.1Å; P601-F603 PolarHBondContact O-N 3.02Å; P601-E604 WeakPolarHBondContact CD-OE2 3.42Å; P601-E604 HydrophobicContact CG-CB 4.18Å; P601-E604 HydrophobicContact CG-CG 4.47Å
602P96.6Very high91.2Very high13 Ų1329.8 Ų29.88%0.08416%0.159CC..SBendtrans-67.9-24.5-178.425.8-31.3000113.1V591 F594 I619 V622V591-P602 HydrophobicContact CG1-CG 4.39Å; V591-P602 HydrophobicContact CG2-CG 4.37Å; F594-P602 HydrophobicContact CB-CB 4.41Å; F594-P602 HydrophobicContact CB-CG 4.11Å; F594-P602 HydrophobicContact CD1-CB 3.74Å; F594-P602 VanDerWaalsContact CD1-CD 3.49Å; F594-P602 HydrophobicContact CD1-CG 4.07Å; F594-P602 HydrophobicContact CD2-CB 3.91Å; F594-P602 HydrophobicContact CD2-CG 4.5Å; F594-P602 VanDerWaalsContact CE1-CA 3.5Å; F594-P602 HydrophobicContact CE1-CB 3.86Å; F594-P602 HydrophobicContact CE2-CB 4.03Å; F594-P602 HydrophobicContact CG-CB 3.77Å; F594-P602 HydrophobicContact CG-CG 3.99Å; F594-P602 HydrophobicContact CZ-CB 4Å; P602-I619 HydrophobicContact CB-CD1 4.05Å; P602-I619 HydrophobicContact CG-CD1 4.43Å; P602-V622 HydrophobicContact CB-CG1 3.98Å; P602-V622 HydrophobicContact CB-CG2 4.4Å
603F94.9Very high90.5Very high0 Ų031 Ų310%017%0.172CC..SBendtrans-119.794.1-179.6-37.7-70.1000108.7W587 V591 P601 T611 I614 I615 I619 V622W587-F603 AromaticContact CE2-CE2 3.85Å; W587-F603 AromaticContact CH2-CE2 3.95Å; W587-F603 HydrophobicContact CH2-CE2 3.95Å; W587-F603 AromaticContact CH2-CZ 3.73Å; W587-F603 HydrophobicContact CH2-CZ 3.73Å; W587-F603 HydrophobicContact CZ2-CD2 4.04Å; W587-F603 AromaticContact CZ2-CE2 3.21Å; W587-F603 HydrophobicContact CZ2-CE2 3.21Å; W587-F603 AromaticContact CZ2-CZ 3.5Å; W587-F603 HydrophobicContact CZ2-CZ 3.5Å; W587-F603 VanDerWaalsContact CZ2-CZ 3.5Å; V591-F603 HydrophobicContact CG2-CD2 4.26Å; V591-F603 HydrophobicContact CG2-CE2 4Å; P601-F603 PolarHBondContact O-N 3.02Å; F603-T611 WeakPolarHBondContact O-CG2 3.17Å; F603-I614 HydrophobicContact CB-CG2 4.06Å; F603-I614 HydrophobicContact CD1-CG2 3.94Å; F603-I614 HydrophobicContact CG-CG2 4.49Å; F603-I615 HydrophobicContact CB-CD1 4.39Å; F603-I615 HydrophobicContact CB-CG1 3.58Å; F603-I615 HydrophobicContact CD1-CG1 4.43Å; F603-I615 HydrophobicContact CD2-CG1 3.87Å; F603-I615 HydrophobicContact CG-CG1 3.72Å; F603-I619 HydrophobicContact CE1-CB 4.49Å; F603-I619 HydrophobicContact CE1-CD1 3.99Å; F603-I619 HydrophobicContact CZ-CB 4.16Å; F603-I619 HydrophobicContact CZ-CD1 3.66Å; F603-I619 HydrophobicContact CZ-CG1 4.48Å; F603-V622 HydrophobicContact CD1-CG2 3.67Å; F603-V622 HydrophobicContact CE1-CG2 3.49Å; F603-V622 VanDerWaalsContact CE1-CG2 3.49Å
604E88.6Confident90.2Very high69 Ų6933.1 Ų33.132%0.32218%0.183SC..  trans-134.6142.7179.8-166.2176.2170.200111.7L600 P601L600-E604 WeakPolarHBondContact CD2-OE2 3.27Å; P601-E604 WeakPolarHBondContact CD-OE2 3.42Å; P601-E604 HydrophobicContact CG-CB 4.18Å; P601-E604 HydrophobicContact CG-CG 4.47Å
605S86.5Confident90Very high15 Ų1532.6 Ų32.611%0.10518%0.18CC..  trans-154.2151.4169.7146.40000109.2D607 R610 T611S605-D607 PolarHBondContact O-N 2.86Å; S605-D607 VanDerWaalsContact O-N 3.16Å; S605-D607 PolarHBondContact OG-N 2.88Å; S605-D607 PolarHBondContact OG-O 2.89Å; S605-R610 VanDerWaalsContact OG-CB 3.3Å; S605-R610 WeakPolarHBondContact OG-CB 3.18Å; S605-R610 WeakPolarHBondContact OG-CD 3.26Å; S605-R610 WeakPolarHBondContact OG-CG 3.16Å; S605-T611 PolarHBondContact N-OG1 2.9Å; S605-T611 PolarHBondContact O-OG1 3.09Å
606P77.8Confident89.7Confident142 Ų14234.8 Ų34.892%0.92219%0.192SC*.SBendtrans-58.9-24172-23.633.8000114
607D78Confident89.4Confident56 Ų5641.9 Ų41.930%0.29922%0.223SC..SBendtrans-108.5125.9176.2-178-90000110.6K188 S605 M609 R610 T611K188-D607 IonicContact NZ-OD2 3.55Å; S605-D607 PolarHBondContact O-N 2.86Å; S605-D607 VanDerWaalsContact O-N 3.16Å; S605-D607 PolarHBondContact OG-N 2.88Å; S605-D607 PolarHBondContact OG-O 2.89Å; D607-M609 VanDerWaalsContact C-N 3.27Å; D607-M609 PolarHBondContact O-N 2.62Å; D607-M609 WeakPolarHBondContact OD1-CA 3.18Å; D607-M609 VanDerWaalsContact OD1-CB 3.25Å; D607-M609 WeakPolarHBondContact OD1-CB 3.35Å; D607-M609 PolarHBondContact OD1-N 3.48Å; D607-R610 HydrophobicContact CB-CB 4.32Å; D607-R610 PolarHBondContact O-N 3.46Å; D607-R610 PolarHBondContact OD1-N 3.44Å; D607-R610 VanDerWaalsContact OD1-N 3.12Å; D607-T611 PolarHBondContact O-N 2.85Å; D607-T611 PolarHBondContact O-OG1 2.97Å
608T81Confident89.2Confident56 Ų5641.7 Ų41.734%0.34422%0.222SC..Hα-helixtrans-58.6-35.2-177.6-500000112.8P567 T611 Y612P567-T608 HydrophobicContact CB-CG2 3.7Å; P567-T608 HydrophobicContact CG-CG2 3.69Å; T608-T611 VanDerWaalsContact O-CB 3.27Å; T608-T611 WeakPolarHBondContact O-CB 3.4Å; T608-T611 PolarHBondContact O-N 2.88Å; T608-Y612 HydrophobicContact CG2-CE1 4.08Å; T608-Y612 HydrophobicContact CG2-CE2 3.79Å; T608-Y612 WeakPolarHBondContact CG2-OH 3.43Å; T608-Y612 PolarHBondContact O-N 2.88Å
609M79.1Confident89.2Confident14 Ų1440.8 Ų40.87%0.06922%0.216CC..Hα-helixtrans-72.8-36.6-178.9-57-59.7148.100111.4F139 L205 Y209 D607 T611 Y612 G613F139-M609 HydrophobicContact CZ-CB 3.96Å; L205-M609 HydrophobicContact CB-CE 3.94Å; L205-M609 HydrophobicContact CB-SD 3.93Å; L205-M609 HydrophobicContact CD1-CG 3.7Å; L205-M609 HydrophobicContact CD1-SD 4.14Å; L205-M609 HydrophobicContact CD2-CG 4.11Å; L205-M609 HydrophobicContact CD2-SD 3.64Å; L205-M609 HydrophobicContact CG-CG 4.3Å; L205-M609 HydrophobicContact CG-SD 4.07Å; Y209-M609 HydrophobicContact CD2-CE 3.55Å; Y209-M609 HydrophobicContact CD2-SD 3.34Å; Y209-M609 WeakPolarHBondContact CD2-SD 3.47Å; Y209-M609 HydrophobicContact CE2-CE 4.32Å; Y209-M609 HydrophobicContact CE2-SD 3.48Å; Y209-M609 WeakPolarHBondContact CE2-SD 3.02Å; Y209-M609 HydrophobicContact CG-CE 4.24Å; Y209-M609 HydrophobicContact CG-SD 4.38Å; D607-M609 VanDerWaalsContact C-N 3.27Å; D607-M609 PolarHBondContact O-N 2.62Å; D607-M609 WeakPolarHBondContact OD1-CA 3.18Å; D607-M609 VanDerWaalsContact OD1-CB 3.25Å; D607-M609 WeakPolarHBondContact OD1-CB 3.35Å; D607-M609 PolarHBondContact OD1-N 3.48Å; M609-T611 VanDerWaalsContact C-N 3.31Å; M609-Y612 HydrophobicContact CE-CD2 4.44Å; M609-Y612 HydrophobicContact CE-CE2 3.98Å; M609-Y612 PolarHBondContact O-N 3.49Å; M609-Y612 HydrophobicContact SD-CD2 3.75Å; M609-Y612 HydrophobicContact SD-CE2 3.9Å; M609-G613 PolarHBondContact O-N 3.45Å
610R84Confident89.2Confident173 Ų17344.8 Ų44.865%0.65323%0.234SC*.Hα-helixtrans-66.8-34.4170.2-179.6179.8-166174.95.7111.4S605 D607 G613 I614S605-R610 VanDerWaalsContact OG-CB 3.3Å; S605-R610 WeakPolarHBondContact OG-CB 3.18Å; S605-R610 WeakPolarHBondContact OG-CD 3.26Å; S605-R610 WeakPolarHBondContact OG-CG 3.16Å; D607-R610 HydrophobicContact CB-CB 4.32Å; D607-R610 PolarHBondContact O-N 3.46Å; D607-R610 PolarHBondContact OD1-N 3.44Å; D607-R610 VanDerWaalsContact OD1-N 3.12Å; R610-G613 PolarHBondContact O-N 2.85Å; R610-I614 HydrophobicContact CG-CD1 4.19Å; R610-I614 WeakPolarHBondContact O-CD1 3.19Å; R610-I614 VanDerWaalsContact O-CG1 3.23Å; R610-I614 WeakPolarHBondContact O-CG1 3.39Å; R610-I614 PolarHBondContact O-N 2.92Å
611T90.1Very high89.2Confident0 Ų046.4 Ų46.40%025%0.252CS..Hα-helixtrans-58-48.5170.3-58.50000111E568 F603 S605 D607 T608 M609 G613 I614 I615E568-T611 HydrophobicContact CG-CG2 4.25Å; F603-T611 WeakPolarHBondContact O-CG2 3.17Å; S605-T611 PolarHBondContact N-OG1 2.9Å; S605-T611 PolarHBondContact O-OG1 3.09Å; D607-T611 PolarHBondContact O-N 2.85Å; D607-T611 PolarHBondContact O-OG1 2.97Å; T608-T611 VanDerWaalsContact O-CB 3.27Å; T608-T611 WeakPolarHBondContact O-CB 3.4Å; T608-T611 PolarHBondContact O-N 2.88Å; M609-T611 VanDerWaalsContact C-N 3.31Å; T611-G613 PolarHBondContact O-N 3.27Å; T611-I614 WeakPolarHBondContact O-CB 3.38Å; T611-I614 PolarHBondContact O-N 2.92Å; T611-I614 VanDerWaalsContact O-N 3.08Å; T611-I615 HydrophobicContact CG2-CD1 4.05Å; T611-I615 WeakPolarHBondContact O-CG1 3.46Å; T611-I615 PolarHBondContact O-N 2.86Å
612Y88Confident89.1Confident0 Ų047.1 Ų47.10%026%0.256CS..Hα-helixtrans-59.3-44.3174.9-59.4-30.1000112.4I102 Y209 F563 P567 M570 I575 T608 M609 I614 I615 L616I102-Y612 VanDerWaalsContact CD1-OH 3.31Å; I102-Y612 WeakPolarHBondContact CD1-OH 3.38Å; Y209-Y612 HydrophobicContact CD1-CD2 4.12Å; Y209-Y612 AromaticContact CD1-CE2 3.74Å; Y209-Y612 HydrophobicContact CD1-CE2 3.74Å; Y209-Y612 HydrophobicContact CD2-CD2 4.03Å; Y209-Y612 AromaticContact CD2-CE2 3.79Å; Y209-Y612 HydrophobicContact CD2-CE2 3.79Å; Y209-Y612 HydrophobicContact CE1-CD2 4.01Å; Y209-Y612 HydrophobicContact CE1-CE2 4.11Å; Y209-Y612 AromaticContact CE2-CD2 3.89Å; Y209-Y612 HydrophobicContact CE2-CD2 3.89Å; Y209-Y612 HydrophobicContact CE2-CE2 4.15Å; Y209-Y612 HydrophobicContact CG-CD2 4.11Å; Y209-Y612 AromaticContact CG-CE2 3.54Å; Y209-Y612 HydrophobicContact CG-CE2 3.54Å; Y209-Y612 AromaticContact CZ-CD2 3.87Å; F563-Y612 HydrophobicContact CZ-CE1 4.5Å; F563-Y612 HydrophobicContact CZ-CE2 4.39Å; F563-Y612 AromaticContact CZ-CZ 3.92Å; P567-Y612 HydrophobicContact CB-CE1 3.79Å; M570-Y612 HydrophobicContact SD-CE1 4.01Å; I575-Y612 HydrophobicContact CD1-CD1 3.63Å; I575-Y612 HydrophobicContact CD1-CE1 4.39Å; I575-Y612 HydrophobicContact CD1-CG 4.2Å; I575-Y612 HydrophobicContact CG1-CD1 3.97Å; I575-Y612 HydrophobicContact CG1-CE1 4.39Å; I575-Y612 HydrophobicContact CG1-CG 4.45Å; I575-Y612 HydrophobicContact CG2-CG 4.21Å; T608-Y612 HydrophobicContact CG2-CE1 4.08Å; T608-Y612 HydrophobicContact CG2-CE2 3.79Å; T608-Y612 WeakPolarHBondContact CG2-OH 3.43Å; T608-Y612 PolarHBondContact O-N 2.88Å; M609-Y612 HydrophobicContact CE-CD2 4.44Å; M609-Y612 HydrophobicContact CE-CE2 3.98Å; M609-Y612 PolarHBondContact O-N 3.49Å; M609-Y612 HydrophobicContact SD-CD2 3.75Å; M609-Y612 HydrophobicContact SD-CE2 3.9Å; Y612-I614 PolarHBondContact O-N 2.85Å; Y612-I615 HydrophobicContact CD1-CD1 4.38Å; Y612-I615 PolarHBondContact O-N 3.19Å; Y612-I615 VanDerWaalsContact O-N 3.14Å; Y612-L616 WeakPolarHBondContact O-CG 3.4Å; Y612-L616 PolarHBondContact O-N 3Å
613G85.4Confident89Confident26 Ų2653.7 Ų53.727%0.26829%0.291SS..Hα-helixtrans-61.6-28.9175.500000113.8M609 R610 T611 K617M609-G613 PolarHBondContact O-N 3.45Å; R610-G613 PolarHBondContact O-N 2.85Å; T611-G613 PolarHBondContact O-N 3.27Å; G613-K617 WeakPolarHBondContact O-CG 2.81Å
614I91.8Very high89Confident44 Ų4455.4 Ų55.423%0.22630%0.298CS..Hα-helixtrans-75-43.6173.2-66161.4000110.3F603 R610 T611 Y612 L616 K617F603-I614 HydrophobicContact CB-CG2 4.06Å; F603-I614 HydrophobicContact CD1-CG2 3.94Å; F603-I614 HydrophobicContact CG-CG2 4.49Å; R610-I614 HydrophobicContact CG-CD1 4.19Å; R610-I614 WeakPolarHBondContact O-CD1 3.19Å; R610-I614 VanDerWaalsContact O-CG1 3.23Å; R610-I614 WeakPolarHBondContact O-CG1 3.39Å; R610-I614 PolarHBondContact O-N 2.92Å; T611-I614 WeakPolarHBondContact O-CB 3.38Å; T611-I614 PolarHBondContact O-N 2.92Å; T611-I614 VanDerWaalsContact O-N 3.08Å; Y612-I614 PolarHBondContact O-N 2.85Å; I614-L616 VanDerWaalsContact C-N 3.3Å; I614-L616 PolarHBondContact O-N 3.18Å; I614-K617 WeakPolarHBondContact O-CB 3.32Å; I614-K617 PolarHBondContact O-N 2.88Å; I614-K617 VanDerWaalsContact O-N 3.12Å
615I94Very high89.1Confident0 Ų053.4 Ų53.40%029%0.291CS..Hα-helixtrans-57.5-44.7176.9-70.2165.6000110.9P567 P572 I575 W587 F603 T611 Y612 K617 G618P567-I615 WeakPolarHBondContact O-CD1 3.48Å; P572-I615 HydrophobicContact CG-CG2 3.93Å; I575-I615 HydrophobicContact CD1-CB 3.84Å; I575-I615 HydrophobicContact CD1-CD1 3.73Å; I575-I615 HydrophobicContact CD1-CG1 4.38Å; I575-I615 HydrophobicContact CD1-CG2 3.51Å; W587-I615 HydrophobicContact CH2-CG2 4.33Å; W587-I615 HydrophobicContact CZ2-CG2 3.8Å; F603-I615 HydrophobicContact CB-CD1 4.39Å; F603-I615 HydrophobicContact CB-CG1 3.58Å; F603-I615 HydrophobicContact CD1-CG1 4.43Å; F603-I615 HydrophobicContact CD2-CG1 3.87Å; F603-I615 HydrophobicContact CG-CG1 3.72Å; T611-I615 HydrophobicContact CG2-CD1 4.05Å; T611-I615 WeakPolarHBondContact O-CG1 3.46Å; T611-I615 PolarHBondContact O-N 2.86Å; Y612-I615 HydrophobicContact CD1-CD1 4.38Å; Y612-I615 PolarHBondContact O-N 3.19Å; Y612-I615 VanDerWaalsContact O-N 3.14Å; I615-K617 PolarHBondContact O-N 2.96Å; I615-G618 PolarHBondContact O-N 3.33Å
616L90.6Very high89.3Confident47 Ų4759.7 Ų59.725%0.24633%0.329CS..THydrogen-bonded Turntrans-70.1-12.4-179.6-63.7179.1000114.2P572 I575 L576 Y612 I614 G618P572-L616 HydrophobicContact CB-CD2 4.1Å; I575-L616 HydrophobicContact CB-CD2 4.4Å; I575-L616 HydrophobicContact CG2-CD1 4.13Å; I575-L616 HydrophobicContact CG2-CD2 4.21Å; I575-L616 HydrophobicContact CG2-CG 4.3Å; L576-L616 HydrophobicContact CD1-CD2 3.95Å; L576-L616 HydrophobicContact CD2-CD1 4.02Å; L576-L616 HydrophobicContact CD2-CD2 3.84Å; L576-L616 HydrophobicContact CG-CD2 3.66Å; Y612-L616 WeakPolarHBondContact O-CG 3.4Å; Y612-L616 PolarHBondContact O-N 3Å; I614-L616 VanDerWaalsContact C-N 3.3Å; I614-L616 PolarHBondContact O-N 3.18Å; L616-G618 VanDerWaalsContact C-N 3.31Å
617K91Very high89.8Confident149 Ų14958 Ų5865%0.64831%0.305SS*.THydrogen-bonded Turntrans-82-11.5169.8-71.9173.6-177.7-176.60113.1G613 I614 I615 A621G613-K617 WeakPolarHBondContact O-CG 2.81Å; I614-K617 WeakPolarHBondContact O-CB 3.32Å; I614-K617 PolarHBondContact O-N 2.88Å; I614-K617 VanDerWaalsContact O-N 3.12Å; I615-K617 PolarHBondContact O-N 2.96Å; K617-A621 HydrophobicContact CB-CB 4.03Å
618G93.5Very high90.6Very high1 Ų155.6 Ų55.61%0.0129%0.291CS..  trans83.2161.1177.500000115I615 L616 D620 A621 E642I615-G618 PolarHBondContact O-N 3.33Å; L616-G618 VanDerWaalsContact C-N 3.31Å; G618-D620 PolarHBondContact O-N 3.12Å; G618-A621 PolarHBondContact O-N 2.86Å; G618-A621 VanDerWaalsContact O-N 3.15Å; G618-E642 VanDerWaalsContact CA-OE1 3.26Å; G618-E642 WeakPolarHBondContact CA-OE1 3.24Å
619I96.7Very high91.3Very high3 Ų355 Ų552%0.01529%0.29CS..G310 helixtrans-63.1-23-179.8-167.561.4000113.3P602 F603 A621 V622 F624 V636 K637 C640P602-I619 HydrophobicContact CB-CD1 4.05Å; P602-I619 HydrophobicContact CG-CD1 4.43Å; F603-I619 HydrophobicContact CE1-CB 4.49Å; F603-I619 HydrophobicContact CE1-CD1 3.99Å; F603-I619 HydrophobicContact CZ-CB 4.16Å; F603-I619 HydrophobicContact CZ-CD1 3.66Å; F603-I619 HydrophobicContact CZ-CG1 4.48Å; I619-A621 PolarHBondContact O-N 2.92Å; I619-V622 HydrophobicContact CD1-CB 4.2Å; I619-V622 HydrophobicContact CD1-CG2 4.13Å; I619-V622 WeakPolarHBondContact O-CB 3.32Å; I619-V622 PolarHBondContact O-N 2.91Å; I619-V622 VanDerWaalsContact O-N 3.13Å; I619-F624 HydrophobicContact CD1-CE2 4.34Å; I619-F624 HydrophobicContact CD1-CZ 3.96Å; I619-F624 HydrophobicContact CG1-CE2 4.2Å; I619-F624 HydrophobicContact CG1-CZ 3.91Å; I619-V636 HydrophobicContact CD1-CG1 3.93Å; I619-V636 HydrophobicContact CG1-CG1 4.15Å; I619-K637 HydrophobicContact CG1-CG 4.39Å; I619-K637 HydrophobicContact CG2-CG 4.4Å; I619-C640 HydrophobicContact CB-CB 3.78Å; I619-C640 HydrophobicContact CD1-CB 4.31Å; I619-C640 HydrophobicContact CG1-CB 3.93Å; I619-C640 HydrophobicContact CG2-CB 4.06Å; I619-C640 WeakPolarHBondContact CG2-O 3.45Å
620D95Very high92.2Very high97 Ų9761.8 Ų61.852%0.51932%0.319SS..G310 helixtrans-72.5-16.7178.9-77.1-41.6000113G618 K637 R641G618-D620 PolarHBondContact O-N 3.12Å; D620-K637 IonicContact OD1-NZ 3.11Å; D620-K637 PolarHBondContact OD1-NZ 2.91Å; D620-R641 IonicContact OD2-NH1 2.72Å
621A93.8Very high92.8Very high63 Ų6356.8 Ų56.852%0.52131%0.305SS..G310 helixtrans-83.8-8.3170.700000113.5K617 G618 I619K617-A621 HydrophobicContact CB-CB 4.03Å; G618-A621 PolarHBondContact O-N 2.86Å; G618-A621 VanDerWaalsContact O-N 3.15Å; I619-A621 PolarHBondContact O-N 2.92Å
622V94.8Very high93.2Very high21 Ų2156.8 Ų56.813%0.12731%0.305CS..SBendtrans-86.2134.4-178.2178.50000111.1F594 P602 F603 I619 F624F594-V622 HydrophobicContact CE2-CG1 4.22Å; F594-V622 HydrophobicContact CZ-CG1 4.26Å; P602-V622 HydrophobicContact CB-CG1 3.98Å; P602-V622 HydrophobicContact CB-CG2 4.4Å; F603-V622 HydrophobicContact CD1-CG2 3.67Å; F603-V622 HydrophobicContact CE1-CG2 3.49Å; F603-V622 VanDerWaalsContact CE1-CG2 3.49Å; I619-V622 HydrophobicContact CD1-CB 4.2Å; I619-V622 HydrophobicContact CD1-CG2 4.13Å; I619-V622 WeakPolarHBondContact O-CB 3.32Å; I619-V622 PolarHBondContact O-N 2.91Å; I619-V622 VanDerWaalsContact O-N 3.13Å; V622-F624 WeakPolarHBondContact O-CD2 3.24Å; V622-F624 PolarHBondContact O-N 3.28Å
623N93.4Very high93.7Very high151 Ų15157.9 Ų57.981%0.80731%0.31SS*.PPolyproline II helixtrans-80.9116.3174-72.5-39.6000110.8
624F95.3Very high94.2Very high36 Ų3658.7 Ų58.716%0.15831%0.311CS..PPolyproline II helixtrans-82.8125.8177.6-77.9-97.4000111.5F594 I619 V622 M628 Q633 V636 K637F594-F624 HydrophobicContact CD2-CD1 4.11Å; F594-F624 AromaticContact CD2-CE1 3.8Å; F594-F624 HydrophobicContact CD2-CE1 3.8Å; F594-F624 HydrophobicContact CD2-CZ 4.46Å; F594-F624 AromaticContact CE2-CD1 3.86Å; F594-F624 HydrophobicContact CE2-CD1 3.86Å; F594-F624 AromaticContact CE2-CE1 3.94Å; F594-F624 HydrophobicContact CE2-CE1 3.94Å; F594-F624 HydrophobicContact CE2-CG 4.45Å; I619-F624 HydrophobicContact CD1-CE2 4.34Å; I619-F624 HydrophobicContact CD1-CZ 3.96Å; I619-F624 HydrophobicContact CG1-CE2 4.2Å; I619-F624 HydrophobicContact CG1-CZ 3.91Å; V622-F624 WeakPolarHBondContact O-CD2 3.24Å; V622-F624 PolarHBondContact O-N 3.28Å; F624-M628 HydrophobicContact CD1-CE 4.33Å; F624-M628 HydrophobicContact CD1-SD 3.52Å; F624-M628 VanDerWaalsContact CD1-SD 3.52Å; F624-M628 HydrophobicContact CE1-SD 3.84Å; F624-Q633 HydrophobicContact CB-CG 4Å; F624-Q633 HydrophobicContact CD1-CB 4.03Å; F624-Q633 HydrophobicContact CD1-CG 3.6Å; F624-Q633 HydrophobicContact CE1-CB 4.28Å; F624-Q633 HydrophobicContact CE1-CG 4.3Å; F624-Q633 HydrophobicContact CG-CB 4.47Å; F624-Q633 HydrophobicContact CG-CG 3.98Å; F624-V636 HydrophobicContact CE1-CB 3.87Å; F624-V636 HydrophobicContact CE1-CG1 3.8Å; F624-V636 HydrophobicContact CE1-CG2 4.34Å; F624-V636 HydrophobicContact CZ-CB 4.14Å; F624-V636 HydrophobicContact CZ-CG1 3.77Å; F624-K637 HydrophobicContact CE2-CG 4.11Å; F624-K637 HydrophobicContact CZ-CG 3.92Å
625P91.6Very high94.5Very high28 Ų2856.6 Ų56.618%0.18230%0.301CS..PPolyproline II helixtrans-60.7145176.1-26.336.9000112.6T598 R627 M628T598-P625 HydrophobicContact CG2-CG 3.85Å; P625-R627 HydrophobicContact CB-CG 3.65Å; P625-R627 PolarHBondContact O-N 2.88Å; P625-M628 WeakPolarHBondContact O-CB 3.4Å; P625-M628 PolarHBondContact O-N 2.99Å
626T89.8Confident94.8Very high147 Ų14756.6 Ų56.690%0.90230%0.301SS*.THydrogen-bonded Turntrans-61.4-26.3-179.451.20000113.7M628T626-M628 PolarHBondContact O-N 3.16Å
627R87.9Confident95.1Very high107 Ų10757.4 Ų57.440%0.40430%0.302SS..THydrogen-bonded Turntrans-64.5-23.1174.557.3174.8-67.6141.311114.3F500 L597 P625F500-R627 VanDerWaalsContact CD2-CZ 3.5Å; F500-R627 VanDerWaalsContact CE2-NH1 3.31Å; L597-R627 VanDerWaalsContact O-CZ 3.26Å; L597-R627 PolarHBondContact O-NE 2.76Å; L597-R627 PolarHBondContact O-NH2 2.68Å; P625-R627 HydrophobicContact CB-CG 3.65Å; P625-R627 PolarHBondContact O-N 2.88Å
628M94.8Very high95.4Very high4 Ų454 Ų542%0.0229%0.288CS..SBendtrans-82.4126.3179.1-174.4178-63.400109.2F594 L597 T598 F624 P625 T626 A632 Q633 V636F594-M628 HydrophobicContact CB-CE 4.44Å; F594-M628 HydrophobicContact CD2-CE 3.63Å; F594-M628 HydrophobicContact CD2-SD 4.5Å; F594-M628 HydrophobicContact CE2-CE 4.09Å; F594-M628 HydrophobicContact CG-CE 4.08Å; L597-M628 HydrophobicContact CB-CE 3.87Å; L597-M628 HydrophobicContact CD1-CE 3.9Å; L597-M628 HydrophobicContact CD1-CG 4.1Å; L597-M628 HydrophobicContact CD1-SD 4.31Å; T598-M628 HydrophobicContact CG2-CE 3.9Å; F624-M628 HydrophobicContact CD1-CE 4.33Å; F624-M628 HydrophobicContact CD1-SD 3.52Å; F624-M628 VanDerWaalsContact CD1-SD 3.52Å; F624-M628 HydrophobicContact CE1-SD 3.84Å; P625-M628 WeakPolarHBondContact O-CB 3.4Å; P625-M628 PolarHBondContact O-N 2.99Å; T626-M628 PolarHBondContact O-N 3.16Å; M628-A632 HydrophobicContact CG-CB 3.47Å; M628-A632 VanDerWaalsContact CG-CB 3.47Å; M628-A632 HydrophobicContact SD-CB 4.06Å; M628-Q633 HydrophobicContact CB-CG 4.17Å; M628-Q633 HydrophobicContact CG-CG 3.79Å; M628-Q633 PolarHBondContact O-NE2 3.2Å; M628-Q633 HydrophobicContact SD-CB 4.47Å; M628-Q633 HydrophobicContact SD-CG 3.78Å; M628-V636 HydrophobicContact SD-CG2 4.31Å
629S96.4Very high95.6Very high44 Ų4454 Ų5431%0.30829%0.287SS..  trans-62.2153.9178.967.10000111.9E503 N631 A632 Q633E503-S629 WeakPolarHBondContact OE1-CB 3.41Å; E503-S629 PolarHBondContact OE1-N 3.44Å; E503-S629 PolarHBondContact OE1-OG 3Å; S629-N631 PolarHBondContact O-N 3.14Å; S629-A632 WeakPolarHBondContact O-CB 3.15Å; S629-A632 PolarHBondContact O-N 3.22Å; S629-A632 VanDerWaalsContact O-N 3.1Å; S629-A632 WeakPolarHBondContact OG-CB 3.47Å; S629-A632 PolarHBondContact OG-N 2.8Å; S629-A632 VanDerWaalsContact OG-N 3.16Å; S629-Q633 VanDerWaalsContact O-CG 3.31Å; S629-Q633 WeakPolarHBondContact O-CG 3.4Å; S629-Q633 PolarHBondContact O-N 2.87Å
630K97.5Very high95.7Very high157 Ų15753.9 Ų53.968%0.68329%0.287SS*.Hα-helixtrans-58.8-31175.9-66.6-62.3179-172.80112.8S634K630-S634 WeakPolarHBondContact O-CB 3.26Å; K630-S634 PolarHBondContact O-N 3.09Å
631N97.7Very high95.7Very high68 Ų6853.6 Ų53.636%0.36428%0.278SS..Hα-helixtrans-69.2-42.4175.8-67.7-8.4000111.6S629 S634 L635 H661 V662 W663S629-N631 PolarHBondContact O-N 3.14Å; N631-S634 WeakPolarHBondContact O-CB 3.07Å; N631-S634 PolarHBondContact O-N 3.3Å; N631-L635 PolarHBondContact O-N 3.18Å; N631-L635 VanDerWaalsContact O-N 3.08Å; N631-H661 PolarHBondContact O-CE1 2.85Å; N631-V662 HydrophobicContact CB-CG1 4.08Å; N631-W663 HydrophobicContact CB-CB 4.07Å; N631-W663 HydrophobicContact CB-CG 4.42Å
632A98Very high95.6Very high0 Ų055.9 Ų55.90%028%0.278CS..Hα-helixtrans-63.2-47.6173.700000111.3L597 M628 S629 S634 L635 V636 W663L597-A632 HydrophobicContact CD1-CB 3.84Å; M628-A632 HydrophobicContact CG-CB 3.47Å; M628-A632 VanDerWaalsContact CG-CB 3.47Å; M628-A632 HydrophobicContact SD-CB 4.06Å; S629-A632 WeakPolarHBondContact O-CB 3.15Å; S629-A632 PolarHBondContact O-N 3.22Å; S629-A632 VanDerWaalsContact O-N 3.1Å; S629-A632 WeakPolarHBondContact OG-CB 3.47Å; S629-A632 PolarHBondContact OG-N 2.8Å; S629-A632 VanDerWaalsContact OG-N 3.16Å; A632-S634 VanDerWaalsContact C-N 3.27Å; A632-S634 PolarHBondContact O-N 3.15Å; A632-L635 PolarHBondContact O-N 3.15Å; A632-V636 WeakPolarHBondContact O-CG2 3.47Å; A632-V636 PolarHBondContact O-N 2.76Å; A632-W663 VanDerWaalsContact CA-CD1 3.47Å; A632-W663 HydrophobicContact CB-CG 4.48Å
633Q98.1Very high95.2Very high23 Ų2357 Ų5711%0.10728%0.283CS..Hα-helixtrans-55.6-43.7176.2-64179.11900111.2F624 M628 S629 L635 V636 K637F624-Q633 HydrophobicContact CB-CG 4Å; F624-Q633 HydrophobicContact CD1-CB 4.03Å; F624-Q633 HydrophobicContact CD1-CG 3.6Å; F624-Q633 HydrophobicContact CE1-CB 4.28Å; F624-Q633 HydrophobicContact CE1-CG 4.3Å; F624-Q633 HydrophobicContact CG-CB 4.47Å; F624-Q633 HydrophobicContact CG-CG 3.98Å; M628-Q633 HydrophobicContact CB-CG 4.17Å; M628-Q633 HydrophobicContact CG-CG 3.79Å; M628-Q633 PolarHBondContact O-NE2 3.2Å; M628-Q633 HydrophobicContact SD-CB 4.47Å; M628-Q633 HydrophobicContact SD-CG 3.78Å; S629-Q633 VanDerWaalsContact O-CG 3.31Å; S629-Q633 WeakPolarHBondContact O-CG 3.4Å; S629-Q633 PolarHBondContact O-N 2.87Å; Q633-L635 PolarHBondContact O-N 2.8Å; Q633-V636 PolarHBondContact O-N 2.89Å; Q633-K637 WeakPolarHBondContact O-CB 3.24Å; Q633-K637 WeakPolarHBondContact O-CG 3.34Å; Q633-K637 PolarHBondContact O-N 3.44Å
634S97.4Very high95.1Very high42 Ų4251.2 Ų51.229%0.29425%0.254SS..Hα-helixtrans-60.5-43.2176.2172.40000112.1K630 N631 A632 K638 H661K630-S634 WeakPolarHBondContact O-CB 3.26Å; K630-S634 PolarHBondContact O-N 3.09Å; N631-S634 WeakPolarHBondContact O-CB 3.07Å; N631-S634 PolarHBondContact O-N 3.3Å; A632-S634 VanDerWaalsContact C-N 3.27Å; A632-S634 PolarHBondContact O-N 3.15Å; S634-K638 WeakPolarHBondContact O-CB 3.35Å; S634-K638 VanDerWaalsContact O-CG 3.32Å; S634-K638 WeakPolarHBondContact O-CG 3.4Å; S634-K638 PolarHBondContact O-N 2.84Å; S634-K638 VanDerWaalsContact O-N 3.13Å; S634-H661 PolarHBondContact OG-NE2 3.42Å
635L98.1Very high94.7Very high0 Ų050.4 Ų50.40%025%0.252CS..Hα-helixtrans-67.9-45.4179.9-175.355.3000111.6L593 N631 A632 Q633 K637 K638 L639 Y648 I658 H661 W663 F664L593-L635 HydrophobicContact CD2-CB 3.96Å; L593-L635 HydrophobicContact CD2-CD2 3.77Å; L593-L635 HydrophobicContact CD2-CG 3.76Å; N631-L635 PolarHBondContact O-N 3.18Å; N631-L635 VanDerWaalsContact O-N 3.08Å; A632-L635 PolarHBondContact O-N 3.15Å; Q633-L635 PolarHBondContact O-N 2.8Å; L635-K637 PolarHBondContact O-N 2.92Å; L635-K638 PolarHBondContact O-N 3.3Å; L635-L639 HydrophobicContact CD1-CD1 4Å; L635-L639 HydrophobicContact CD1-CG 4.11Å; L635-L639 HydrophobicContact CG-CD1 3.87Å; L635-L639 HydrophobicContact CG-CG 4.43Å; L635-L639 WeakPolarHBondContact O-CG 3.22Å; L635-L639 PolarHBondContact O-N 2.97Å; L635-Y648 HydrophobicContact CD1-CD1 3.85Å; L635-Y648 HydrophobicContact CD1-CE1 4.16Å; L635-I658 HydrophobicContact CD2-CG2 4.4Å; L635-H661 HydrophobicContact CD1-CB 4.26Å; L635-W663 HydrophobicContact CB-CB 4.49Å; L635-W663 HydrophobicContact CD2-CB 4.26Å; L635-W663 HydrophobicContact CD2-CD2 4.1Å; L635-W663 HydrophobicContact CD2-CE3 3.46Å; L635-W663 VanDerWaalsContact CD2-CE3 3.46Å; L635-W663 HydrophobicContact CD2-CG 4.45Å; L635-W663 HydrophobicContact CD2-CZ3 4.16Å; L635-F664 HydrophobicContact CD2-CD2 4.38Å; L635-F664 HydrophobicContact CD2-CE2 4.02Å
636V98.4Very high94.6Very high0 Ų053.1 Ų53.10%026%0.263CS..Hα-helixtrans-56.6-49.5176.3175.10000110.7L593 F594 I619 F624 M628 A632 Q633 K638 L639 C640L593-V636 HydrophobicContact CB-CG2 4.29Å; L593-V636 HydrophobicContact CD2-CG2 3.5Å; L593-V636 HydrophobicContact CG-CG2 3.73Å; F594-V636 HydrophobicContact CB-CG1 4.3Å; F594-V636 HydrophobicContact CB-CG2 4.25Å; F594-V636 HydrophobicContact CD2-CG1 4.32Å; I619-V636 HydrophobicContact CD1-CG1 3.93Å; I619-V636 HydrophobicContact CG1-CG1 4.15Å; F624-V636 HydrophobicContact CE1-CB 3.87Å; F624-V636 HydrophobicContact CE1-CG1 3.8Å; F624-V636 HydrophobicContact CE1-CG2 4.34Å; F624-V636 HydrophobicContact CZ-CB 4.14Å; F624-V636 HydrophobicContact CZ-CG1 3.77Å; M628-V636 HydrophobicContact SD-CG2 4.31Å; A632-V636 WeakPolarHBondContact O-CG2 3.47Å; A632-V636 PolarHBondContact O-N 2.76Å; Q633-V636 PolarHBondContact O-N 2.89Å; V636-K638 VanDerWaalsContact C-N 3.27Å; V636-K638 PolarHBondContact O-N 3.21Å; V636-L639 PolarHBondContact O-N 3.35Å; V636-C640 WeakPolarHBondContact O-CB 3.37Å; V636-C640 PolarHBondContact O-N 3.23Å
637K98Very high94.9Very high65 Ų6546.2 Ų46.228%0.28322%0.22SC..Hα-helixtrans-60.7-35.4179.4-74.5-178.5171.5-122.40113.3I619 D620 F624 Q633 L635I619-K637 HydrophobicContact CG1-CG 4.39Å; I619-K637 HydrophobicContact CG2-CG 4.4Å; D620-K637 IonicContact OD1-NZ 3.11Å; D620-K637 PolarHBondContact OD1-NZ 2.91Å; F624-K637 HydrophobicContact CE2-CG 4.11Å; F624-K637 HydrophobicContact CZ-CG 3.92Å; Q633-K637 WeakPolarHBondContact O-CB 3.24Å; Q633-K637 WeakPolarHBondContact O-CG 3.34Å; Q633-K637 PolarHBondContact O-N 3.44Å; L635-K637 PolarHBondContact O-N 2.92Å
638K96.8Very high95.1Very high78 Ų7842.9 Ų42.934%0.33921%0.207SC..Hα-helixtrans-73.9-34.1178.4-84.8-176-176.9177.90113.1S634 L635 V636 Y648S634-K638 WeakPolarHBondContact O-CB 3.35Å; S634-K638 VanDerWaalsContact O-CG 3.32Å; S634-K638 WeakPolarHBondContact O-CG 3.4Å; S634-K638 PolarHBondContact O-N 2.84Å; S634-K638 VanDerWaalsContact O-N 3.13Å; L635-K638 PolarHBondContact O-N 3.3Å; V636-K638 VanDerWaalsContact C-N 3.27Å; V636-K638 PolarHBondContact O-N 3.21Å; K638-Y648 HydrophobicContact CB-CG 4.28Å; K638-Y648 HydrophobicContact CD-CD2 4.21Å; K638-Y648 HydrophobicContact CD-CG 4.28Å; K638-Y648 PolarHBondContact O-N 3.37Å
639L98Very high94.9Very high1 Ų142.7 Ų42.71%0.00521%0.207CC..Hα-helixtrans-76.3-40.5175.7-73.2170.4000111.6H586 L589 L593 L635 V636 R641 R647 Y648 I658H586-L639 HydrophobicContact CB-CD2 4.47Å; L589-L639 HydrophobicContact CD2-CD1 4.31Å; L589-L639 HydrophobicContact CD2-CD2 4.4Å; L589-L639 HydrophobicContact CG-CD1 4.23Å; L593-L639 HydrophobicContact CD2-CD1 4.44Å; L635-L639 HydrophobicContact CD1-CD1 4Å; L635-L639 HydrophobicContact CD1-CG 4.11Å; L635-L639 HydrophobicContact CG-CD1 3.87Å; L635-L639 HydrophobicContact CG-CG 4.43Å; L635-L639 WeakPolarHBondContact O-CG 3.22Å; L635-L639 PolarHBondContact O-N 2.97Å; V636-L639 PolarHBondContact O-N 3.35Å; L639-R641 VanDerWaalsContact C-N 3.29Å; L639-R641 PolarHBondContact O-N 3.16Å; L639-R647 WeakPolarHBondContact O-CD 3.34Å; L639-R647 WeakPolarHBondContact O-CG 3.01Å; L639-Y648 WeakPolarHBondContact CD2-O 3.18Å; L639-I658 HydrophobicContact CD2-CD1 3.8Å
640C98.2Very high94.4Very high0 Ų041.8 Ų41.80%020%0.198CC..THydrogen-bonded Turntrans-91.840.3-179.6-57.40000113W587 I619 V636W587-C640 HydrophobicContact CD2-CB 4.29Å; W587-C640 VanDerWaalsContact CE3-CA 3.47Å; W587-C640 HydrophobicContact CE3-CB 3.86Å; W587-C640 HydrophobicContact CH2-CB 4.25Å; W587-C640 HydrophobicContact CZ3-CB 3.84Å; W587-C640 VanDerWaalsContact CZ3-O 3.24Å; W587-C640 WeakPolarHBondContact CZ3-O 3.41Å; I619-C640 HydrophobicContact CB-CB 3.78Å; I619-C640 HydrophobicContact CD1-CB 4.31Å; I619-C640 HydrophobicContact CG1-CB 3.93Å; I619-C640 HydrophobicContact CG2-CB 4.06Å; I619-C640 WeakPolarHBondContact CG2-O 3.45Å; V636-C640 WeakPolarHBondContact O-CB 3.37Å; V636-C640 PolarHBondContact O-N 3.23Å
641R95.5Very high93.3Very high91 Ų9134.9 Ų34.934%0.34317%0.172SC..  trans-69.1137.9168.4-73.5-63.8-167.7-169.43.6109.9D620 L639 E646 R647D620-R641 IonicContact OD2-NH1 2.72Å; L639-R641 VanDerWaalsContact C-N 3.29Å; L639-R641 PolarHBondContact O-N 3.16Å; R641-E646 HydrophobicContact CB-CB 4.01Å; R641-E646 HydrophobicContact CG-CB 4.08Å; R641-R647 HydrophobicContact CB-CG 3.99Å; R641-R647 PolarHBondContact O-NE 2.53Å; R641-R647 PolarHBondContact O-NH2 2.84Å
642E91.6Very high91.9Very high110 Ų11036.6 Ų36.651%0.51418%0.176SC..SBendtrans-60.6-49.3178.5-70.8178.3-163.700110.9G618 P644 R647G618-E642 VanDerWaalsContact CA-OE1 3.26Å; G618-E642 WeakPolarHBondContact CA-OE1 3.24Å; E642-P644 WeakPolarHBondContact O-CD 3.36Å; E642-R647 PolarHBondContact O-NH2 3.36Å
643N87.3Confident90.9Very high45 Ų4541.8 Ų41.824%0.24120%0.2CC..SBendtrans-72.4119.7174.5-1730000110.7T645 E646N643-T645 VanDerWaalsContact C-N 3.27Å; N643-T645 PolarHBondContact ND2-OG1 3.49Å; N643-T645 PolarHBondContact O-N 3.05Å; N643-T645 PolarHBondContact OD1-N 2.95Å; N643-T645 PolarHBondContact OD1-OG1 2.85Å; N643-T645 VanDerWaalsContact OD1-OG1 3.05Å; N643-E646 HydrophobicContact CB-CB 4.31Å; N643-E646 HydrophobicContact CB-CG 4.05Å; N643-E646 PolarHBondContact ND2-OE1 2.97Å; N643-E646 PolarHBondContact O-N 2.81Å; N643-E646 VanDerWaalsContact O-N 3.13Å
644P91.5Very high90.2Very high30 Ų3041.9 Ų41.920%0.19521%0.207CC..G310 helixtrans-56.7-33.1-178.9-27.836.9000114.9E573 A583 E642 E646 R647E573-P644 HydrophobicContact CG-CG 4.23Å; A583-P644 HydrophobicContact CB-CB 3.73Å; E642-P644 WeakPolarHBondContact O-CD 3.36Å; P644-E646 VanDerWaalsContact C-N 3.3Å; P644-E646 PolarHBondContact O-N 2.83Å; P644-R647 WeakPolarHBondContact O-CB 3.44Å; P644-R647 PolarHBondContact O-N 2.69Å
645T86.9Confident89.9Confident18 Ų1839.9 Ų39.911%0.1119%0.193CC..G310 helixtrans-78.2-12.4-179.347.80000114.5Q272 S365 N643 I650Q272-T645 HydrophobicContact CG-CG2 3.77Å; Q272-T645 PolarHBondContact OE1-OG1 3.28Å; S365-T645 PolarHBondContact OG-OG1 3.48Å; N643-T645 VanDerWaalsContact C-N 3.27Å; N643-T645 PolarHBondContact ND2-OG1 3.49Å; N643-T645 PolarHBondContact O-N 3.05Å; N643-T645 PolarHBondContact OD1-N 2.95Å; N643-T645 PolarHBondContact OD1-OG1 2.85Å; N643-T645 VanDerWaalsContact OD1-OG1 3.05Å; T645-I650 VanDerWaalsContact O-CG2 3.29Å; T645-I650 WeakPolarHBondContact O-CG2 3.11Å
646E89.3Confident89.3Confident86 Ų8644.1 Ų44.140%0.40221%0.209SC..G310 helixtrans-92.2-6.1173.1-66.3174.8-154.300112.3R641 N643 P644 Y648R641-E646 HydrophobicContact CB-CB 4.01Å; R641-E646 HydrophobicContact CG-CB 4.08Å; N643-E646 HydrophobicContact CB-CB 4.31Å; N643-E646 HydrophobicContact CB-CG 4.05Å; N643-E646 PolarHBondContact ND2-OE1 2.97Å; N643-E646 PolarHBondContact O-N 2.81Å; N643-E646 VanDerWaalsContact O-N 3.13Å; P644-E646 VanDerWaalsContact C-N 3.3Å; P644-E646 PolarHBondContact O-N 2.83Å; E646-Y648 PolarHBondContact O-N 2.75Å
647R94.7Very high89Confident2 Ų246.7 Ų46.71%0.00822%0.221CC..SBendtrans-68.2131.9179.7-66.1-176-172.1146.512.1110.5E573 A583 H586 L639 R641 E642 P644 G649 I650E573-R647 VanDerWaalsContact CD-NH2 3.32Å; E573-R647 IonicContact OE1-CZ 3.82Å; E573-R647 IonicContact OE1-NH1 3.42Å; E573-R647 PolarHBondContact OE1-NH1 3.32Å; E573-R647 IonicContact OE1-NH2 3.14Å; E573-R647 PolarHBondContact OE1-NH2 3.1Å; E573-R647 IonicContact OE2-CZ 3.88Å; E573-R647 IonicContact OE2-NH1 3.39Å; E573-R647 IonicContact OE2-NH2 3.69Å; E573-R647 PolarHBondContact OE2-NH2 3.02Å; A583-R647 VanDerWaalsContact C-NH1 3.25Å; A583-R647 WeakPolarHBondContact O-CD 3.31Å; A583-R647 PolarHBondContact O-NH1 2.95Å; H586-R647 HydrophobicContact CB-CB 4.33Å; L639-R647 WeakPolarHBondContact O-CD 3.34Å; L639-R647 WeakPolarHBondContact O-CG 3.01Å; R641-R647 HydrophobicContact CB-CG 3.99Å; R641-R647 PolarHBondContact O-NE 2.53Å; R641-R647 PolarHBondContact O-NH2 2.84Å; E642-R647 PolarHBondContact O-NH2 3.36Å; P644-R647 WeakPolarHBondContact O-CB 3.44Å; P644-R647 PolarHBondContact O-N 2.69Å; R647-G649 PolarHBondContact O-N 3.1Å; R647-I650 WeakPolarHBondContact O-CB 3.31Å; R647-I650 WeakPolarHBondContact O-CG2 3.34Å; R647-I650 PolarHBondContact O-N 2.77Å; R647-I650 VanDerWaalsContact O-N 3.15Å
648Y93.2Very high88.7Confident36 Ų3643.6 Ų43.614%0.14121%0.208CC..THydrogen-bonded Turntrans-65.9133-179.5-169.1-112.5000111.2H586 L635 K638 L639 E646 E657 I658 H661H586-Y648 PolarHBondContact CD2-O 3.12Å; H586-Y648 VanDerWaalsContact CD2-O 3.3Å; L635-Y648 HydrophobicContact CD1-CD1 3.85Å; L635-Y648 HydrophobicContact CD1-CE1 4.16Å; K638-Y648 HydrophobicContact CB-CG 4.28Å; K638-Y648 HydrophobicContact CD-CD2 4.21Å; K638-Y648 HydrophobicContact CD-CG 4.28Å; K638-Y648 PolarHBondContact O-N 3.37Å; L639-Y648 WeakPolarHBondContact CD2-O 3.18Å; E646-Y648 PolarHBondContact O-N 2.75Å; Y648-E657 HydrophobicContact CE1-CG 4.46Å; Y648-E657 HydrophobicContact CE2-CG 3.89Å; Y648-E657 WeakPolarHBondContact CE2-OE1 3.01Å; Y648-E657 PolarHBondContact OH-O 2.85Å; Y648-I658 HydrophobicContact CD1-CG1 3.99Å; Y648-I658 HydrophobicContact CE1-CG1 4.16Å; Y648-H661 HydrophobicContact CE1-CB 3.97Å; Y648-H661 AromaticContact CE1-CD2 3.92Å
649G89.6Confident88.5Confident1 Ų142 Ų421%0.0120%0.201CC..THydrogen-bonded Turntrans93.9-5.9-17100000114.9H586 R647 G651 G654 L655 E657H586-G649 VanDerWaalsContact NE2-C 3.32Å; H586-G649 PolarHBondContact NE2-O 3.44Å; R647-G649 PolarHBondContact O-N 3.1Å; G649-G651 PolarHBondContact O-N 3.38Å; G649-G654 CarbonylContact C-O 3.51Å; G649-G654 WeakPolarHBondContact CA-O 3.38Å; G649-G654 CarbonylContact O-C 3.51Å; G649-G654 WeakPolarHBondContact O-CA 3.43Å; G649-L655 PolarHBondContact O-N 2.88Å; G649-E657 PolarHBondContact N-OE2 2.99Å
650I86.7Confident88.3Confident25 Ų2548.8 Ų48.813%0.12823%0.227CC..SBendtrans-75.9-13.3174-153.164.8000112.9L368 I582 A583 T645 R647L368-I650 HydrophobicContact CD2-CG2 4.05Å; I582-I650 HydrophobicContact CG1-CD1 4.46Å; A583-I650 HydrophobicContact CB-CD1 3.84Å; T645-I650 VanDerWaalsContact O-CG2 3.29Å; T645-I650 WeakPolarHBondContact O-CG2 3.11Å; R647-I650 WeakPolarHBondContact O-CB 3.31Å; R647-I650 WeakPolarHBondContact O-CG2 3.34Å; R647-I650 PolarHBondContact O-N 2.77Å; R647-I650 VanDerWaalsContact O-N 3.15Å
651G73.9Confident88.2Confident12 Ų1249.1 Ų49.112%0.12423%0.229CC..SBendtrans-71.7-163.5-167.100000116.5R379 G649 E653 G654R379-G651 PolarHBondContact NH1-O 3.1Å; R379-G651 PolarHBondContact NH2-O 2.82Å; G649-G651 PolarHBondContact O-N 3.38Å; G651-E653 VanDerWaalsContact C-N 3.27Å; G651-E653 PolarHBondContact O-N 3.48Å; G651-E653 VanDerWaalsContact O-N 3.12Å; G651-G654 PolarHBondContact O-N 2.84Å
652K68.5Low88.3Confident103 Ų10347.9 Ų47.945%0.44823%0.231SC..THydrogen-bonded Turntrans-6.4-71.9155.935.1159.2173155.20116.1D372 A375 R379D372-K652 IonicContact OD2-NZ 2.77Å; D372-K652 PolarHBondContact OD2-NZ 3.49Å; A375-K652 HydrophobicContact CB-CD 4.31Å; R379-K652 PolarHBondContact NE-O 3.28Å; R379-K652 VanDerWaalsContact NH2-CA 3.35Å; R379-K652 VanDerWaalsContact NH2-CG 3.33Å; R379-K652 VanDerWaalsContact NH2-N 3.12Å
653E76.7Confident88.6Confident110 Ų11043 Ų4351%0.51421%0.208SC..THydrogen-bonded Turntrans-106.711.6-160-56.4-152.9159.900112.6G651 R660G651-E653 VanDerWaalsContact C-N 3.27Å; G651-E653 PolarHBondContact O-N 3.48Å; G651-E653 VanDerWaalsContact O-N 3.12Å; E653-R660 VanDerWaalsContact CD-NH2 3.33Å; E653-R660 IonicContact OE2-CZ 3.59Å; E653-R660 IonicContact OE2-NH1 3.31Å; E653-R660 PolarHBondContact OE2-NH1 3.03Å; E653-R660 IonicContact OE2-NH2 3.37Å; E653-R660 PolarHBondContact OE2-NH2 3.42Å
654G84.9Confident89.1Confident24 Ų2441.1 Ų41.125%0.24720%0.197CC..G310 helixtrans59.4-152.5-174.500000111.5G649 G651 R656 E657G649-G654 CarbonylContact C-O 3.51Å; G649-G654 WeakPolarHBondContact CA-O 3.38Å; G649-G654 CarbonylContact O-C 3.51Å; G649-G654 WeakPolarHBondContact O-CA 3.43Å; G651-G654 PolarHBondContact O-N 2.84Å; G654-R656 PolarHBondContact O-N 2.91Å; G654-E657 WeakPolarHBondContact O-CB 3.3Å; G654-E657 PolarHBondContact O-N 2.93Å
655L89.5Confident89.3Confident1 Ų147 Ų471%0.00522%0.222CC..G310 helixtrans-62.4-19.3-174-159.970000113V514 L517 D518 H586 L589 G649 E657 I658V514-L655 HydrophobicContact CB-CD2 4.31Å; V514-L655 HydrophobicContact CG1-CD2 4.17Å; V514-L655 HydrophobicContact CG1-CG 4.12Å; V514-L655 HydrophobicContact CG2-CD2 4.26Å; V514-L655 HydrophobicContact CG2-CG 4.41Å; L517-L655 HydrophobicContact CB-CD2 3.35Å; L517-L655 HydrophobicContact CD1-CD2 3.99Å; L517-L655 HydrophobicContact CG-CD2 4.33Å; D518-L655 HydrophobicContact CB-CB 4.4Å; H586-L655 WeakPolarHBondContact CD2-CD1 3.36Å; H586-L655 VanDerWaalsContact NE2-CD1 3.31Å; H586-L655 WeakPolarHBondContact NE2-CD1 3.13Å; L589-L655 HydrophobicContact CD2-CD1 4.05Å; L589-L655 HydrophobicContact CD2-CD2 4.41Å; G649-L655 PolarHBondContact O-N 2.88Å; L655-E657 PolarHBondContact O-N 3.27Å; L655-E657 VanDerWaalsContact O-N 3.13Å; L655-I658 HydrophobicContact CD1-CD1 3.45Å; L655-I658 VanDerWaalsContact CD1-CD1 3.45Å; L655-I658 HydrophobicContact CD1-CG1 4.42Å; L655-I658 HydrophobicContact CG-CD1 3.83Å; L655-I658 VanDerWaalsContact O-CB 3.23Å; L655-I658 WeakPolarHBondContact O-CB 3.4Å; L655-I658 VanDerWaalsContact O-CG1 3.29Å; L655-I658 WeakPolarHBondContact O-CG1 3.41Å; L655-I658 PolarHBondContact O-N 2.84Å
656R87.2Confident89.7Confident89 Ų8950 Ų5034%0.33626%0.258SS..G310 helixtrans-61.5-17.1173.2-64.1-171-179.1-153.8-9.8114.4D518 G654 I658 E659D518-R656 IonicContact OD1-NE 2.81Å; D518-R656 IonicContact OD2-CZ 2.67Å; D518-R656 IonicContact OD2-NE 3.31Å; D518-R656 PolarHBondContact OD2-NE 3.04Å; D518-R656 IonicContact OD2-NH2 3.95Å; D518-R656 PolarHBondContact OD2-NH2 2.78Å; G654-R656 PolarHBondContact O-N 2.91Å; R656-I658 PolarHBondContact O-N 2.95Å; R656-I658 VanDerWaalsContact O-N 3.11Å; R656-E659 WeakPolarHBondContact CB-OE1 3.44Å; R656-E659 WeakPolarHBondContact CG-OE1 3.48Å; R656-E659 VanDerWaalsContact O-CB 3.3Å; R656-E659 WeakPolarHBondContact O-CB 3.4Å; R656-E659 WeakPolarHBondContact O-CG 3.43Å; R656-E659 PolarHBondContact O-N 3.45Å
657E90.5Very high90Very high53 Ų5347.4 Ų47.425%0.24825%0.245CC..G310 helixtrans-57.6-24.9171-165.8179.2-177.500112.3Y648 G649 G654 L655 E659 R660Y648-E657 HydrophobicContact CE1-CG 4.46Å; Y648-E657 HydrophobicContact CE2-CG 3.89Å; Y648-E657 WeakPolarHBondContact CE2-OE1 3.01Å; Y648-E657 PolarHBondContact OH-O 2.85Å; G649-E657 PolarHBondContact N-OE2 2.99Å; G654-E657 WeakPolarHBondContact O-CB 3.3Å; G654-E657 PolarHBondContact O-N 2.93Å; L655-E657 PolarHBondContact O-N 3.27Å; L655-E657 VanDerWaalsContact O-N 3.13Å; E657-E659 PolarHBondContact O-N 2.87Å; E657-R660 PolarHBondContact O-N 2.91Å
658I92.7Very high90.2Very high0 Ų051 Ų510%026%0.264CS..G310 helixtrans-60.5-32.3174.2-63.9179.3000112.5V514 L589 L635 L639 Y648 L655 R656 R660 H661 F664V514-I658 HydrophobicContact CG2-CD1 4.08Å; V514-I658 HydrophobicContact CG2-CG2 4.28Å; L589-I658 HydrophobicContact CD2-CD1 3.45Å; L589-I658 VanDerWaalsContact CD2-CD1 3.45Å; L635-I658 HydrophobicContact CD2-CG2 4.4Å; L639-I658 HydrophobicContact CD2-CD1 3.8Å; Y648-I658 HydrophobicContact CD1-CG1 3.99Å; Y648-I658 HydrophobicContact CE1-CG1 4.16Å; L655-I658 HydrophobicContact CD1-CD1 3.45Å; L655-I658 VanDerWaalsContact CD1-CD1 3.45Å; L655-I658 HydrophobicContact CD1-CG1 4.42Å; L655-I658 HydrophobicContact CG-CD1 3.83Å; L655-I658 VanDerWaalsContact O-CB 3.23Å; L655-I658 WeakPolarHBondContact O-CB 3.4Å; L655-I658 VanDerWaalsContact O-CG1 3.29Å; L655-I658 WeakPolarHBondContact O-CG1 3.41Å; L655-I658 PolarHBondContact O-N 2.84Å; R656-I658 PolarHBondContact O-N 2.95Å; R656-I658 VanDerWaalsContact O-N 3.11Å; I658-R660 PolarHBondContact O-N 3.15Å; I658-R660 VanDerWaalsContact O-N 3.1Å; I658-H661 WeakPolarHBondContact O-CB 3.36Å; I658-H661 PolarHBondContact O-N 2.84Å; I658-F664 HydrophobicContact CG2-CD2 3.69Å; I658-F664 HydrophobicContact CG2-CE2 3.31Å; I658-F664 HydrophobicContact CG2-CZ 4.33Å; I658-F664 WeakPolarHBondContact O-CD2 3.14Å
659E93.2Very high90.3Very high44 Ų4450.2 Ų50.221%0.20626%0.261CS..G310 helixtrans-58.3-28.4178.9-58.8-178.5-134.600112.5R656 E657 W669 R673R656-E659 WeakPolarHBondContact CB-OE1 3.44Å; R656-E659 WeakPolarHBondContact CG-OE1 3.48Å; R656-E659 VanDerWaalsContact O-CB 3.3Å; R656-E659 WeakPolarHBondContact O-CB 3.4Å; R656-E659 WeakPolarHBondContact O-CG 3.43Å; R656-E659 PolarHBondContact O-N 3.45Å; E657-E659 PolarHBondContact O-N 2.87Å; E659-W669 HydrophobicContact CB-CD2 4.24Å; E659-W669 HydrophobicContact CB-CZ2 4.09Å; E659-W669 HydrophobicContact CG-CD2 3.66Å; E659-W669 HydrophobicContact CG-CE3 3.9Å; E659-W669 HydrophobicContact CG-CG 4.22Å; E659-W669 HydrophobicContact CG-CH2 3.98Å; E659-W669 HydrophobicContact CG-CZ2 3.74Å; E659-W669 HydrophobicContact CG-CZ3 4.05Å; E659-R673 IonicContact OE1-CZ 3.07Å; E659-R673 IonicContact OE1-NH2 3.2Å; E659-R673 PolarHBondContact OE1-NH2 2.81Å; E659-R673 IonicContact OE2-CZ 3.6Å; E659-R673 IonicContact OE2-NH1 2.69Å; E659-R673 PolarHBondContact OE2-NH1 3.02Å; E659-R673 IonicContact OE2-NH2 3.35Å; E659-R673 PolarHBondContact OE2-NH2 2.8Å; E659-R673 VanDerWaalsContact OE2-NH2 3.15Å
660R92.5Very high90.7Very high145 Ų14554 Ų5455%0.54728%0.284SS..G310 helixtrans-90.9-6.8-179.7-70.2-172.5-73-880.9114.3E653 E657 I658 V662E653-R660 VanDerWaalsContact CD-NH2 3.33Å; E653-R660 IonicContact OE2-CZ 3.59Å; E653-R660 IonicContact OE2-NH1 3.31Å; E653-R660 PolarHBondContact OE2-NH1 3.03Å; E653-R660 IonicContact OE2-NH2 3.37Å; E653-R660 PolarHBondContact OE2-NH2 3.42Å; E657-R660 PolarHBondContact O-N 2.91Å; I658-R660 PolarHBondContact O-N 3.15Å; I658-R660 VanDerWaalsContact O-N 3.1Å; R660-V662 PolarHBondContact O-N 2.82Å
661H96.3Very high91.2Very high7 Ų753 Ų533%0.03228%0.279CS..SBendtrans-64.1139.4178.5-164.8-95.8000109.4N631 S634 L635 Y648 I658 W663 F664N631-H661 PolarHBondContact O-CE1 2.85Å; S634-H661 PolarHBondContact OG-NE2 3.42Å; L635-H661 HydrophobicContact CD1-CB 4.26Å; Y648-H661 HydrophobicContact CE1-CB 3.97Å; Y648-H661 AromaticContact CE1-CD2 3.92Å; I658-H661 WeakPolarHBondContact O-CB 3.36Å; I658-H661 PolarHBondContact O-N 2.84Å; H661-W663 VanDerWaalsContact ND1-CB 3.31Å; H661-W663 WeakPolarHBondContact ND1-CB 3.15Å; H661-W663 PolarHBondContact ND1-N 3.05Å; H661-W663 VanDerWaalsContact ND1-N 3.19Å; H661-W663 PolarHBondContact O-N 3.26Å; H661-F664 PolarHBondContact O-N 3.38Å
662V97.1Very high92.3Very high65 Ų6552.4 Ų52.439%0.39427%0.273SS..G310 helixtrans-55.7-22179.166.70000113.2N631 R660 F664 E665N631-V662 HydrophobicContact CB-CG1 4.08Å; R660-V662 PolarHBondContact O-N 2.82Å; V662-F664 PolarHBondContact O-N 2.91Å; V662-E665 VanDerWaalsContact O-CB 3.27Å; V662-E665 WeakPolarHBondContact O-CB 3.17Å; V662-E665 PolarHBondContact O-N 2.77Å
663W97.8Very high93.6Very high8 Ų851 Ų513%0.0327%0.265CS..G310 helixtrans-66.7-25.1173.4-170.866000113.3E503 T506 Q507 V510 L593 L597 N631 A632 L635 H661E503-W663 VanDerWaalsContact OE2-CE2 3.26Å; E503-W663 VanDerWaalsContact OE2-CZ2 3.29Å; E503-W663 WeakPolarHBondContact OE2-CZ2 3.3Å; E503-W663 PolarHBondContact OE2-NE1 3.07Å; T506-W663 HydrophobicContact CG2-CH2 3.79Å; T506-W663 HydrophobicContact CG2-CZ2 4.11Å; Q507-W663 HydrophobicContact CB-CH2 4.1Å; Q507-W663 HydrophobicContact CB-CZ3 4.4Å; Q507-W663 HydrophobicContact CG-CD2 4.24Å; Q507-W663 HydrophobicContact CG-CE3 4.13Å; Q507-W663 HydrophobicContact CG-CH2 3.49Å; Q507-W663 VanDerWaalsContact CG-CH2 3.49Å; Q507-W663 HydrophobicContact CG-CZ2 3.59Å; Q507-W663 HydrophobicContact CG-CZ3 3.78Å; Q507-W663 PolarHBondContact NE2-O 3.33Å; V510-W663 HydrophobicContact CB-CZ3 4.37Å; V510-W663 HydrophobicContact CG1-CZ3 4.31Å; L593-W663 HydrophobicContact CD1-CE3 4.3Å; L593-W663 HydrophobicContact CD1-CH2 3.2Å; L593-W663 HydrophobicContact CD1-CZ2 3.6Å; L593-W663 HydrophobicContact CD1-CZ3 3.59Å; L597-W663 HydrophobicContact CD1-CZ2 4.49Å; N631-W663 HydrophobicContact CB-CB 4.07Å; N631-W663 HydrophobicContact CB-CG 4.42Å; A632-W663 VanDerWaalsContact CA-CD1 3.47Å; A632-W663 HydrophobicContact CB-CG 4.48Å; L635-W663 HydrophobicContact CB-CB 4.49Å; L635-W663 HydrophobicContact CD2-CB 4.26Å; L635-W663 HydrophobicContact CD2-CD2 4.1Å; L635-W663 HydrophobicContact CD2-CE3 3.46Å; L635-W663 VanDerWaalsContact CD2-CE3 3.46Å; L635-W663 HydrophobicContact CD2-CG 4.45Å; L635-W663 HydrophobicContact CD2-CZ3 4.16Å; H661-W663 VanDerWaalsContact ND1-CB 3.31Å; H661-W663 WeakPolarHBondContact ND1-CB 3.15Å; H661-W663 PolarHBondContact ND1-N 3.05Å; H661-W663 VanDerWaalsContact ND1-N 3.19Å; H661-W663 PolarHBondContact O-N 3.26Å
664F97.6Very high94.5Very high4 Ų453 Ų532%0.01827%0.272CS..G310 helixtrans-98.212.5174-79.9-74.1000113.1Q507 V510 A511 L635 I658 H661 V662 G666 F667 W669Q507-F664 HydrophobicContact CB-CD1 4.38Å; Q507-F664 HydrophobicContact CB-CE1 3.98Å; Q507-F664 HydrophobicContact CG-CD1 4.33Å; Q507-F664 HydrophobicContact CG-CE1 4.22Å; Q507-F664 WeakPolarHBondContact O-CE1 3.41Å; V510-F664 HydrophobicContact CB-CZ 4.24Å; V510-F664 HydrophobicContact CG1-CE2 4.34Å; V510-F664 HydrophobicContact CG1-CZ 3.83Å; A511-F664 HydrophobicContact CB-CE1 4.05Å; A511-F664 HydrophobicContact CB-CZ 4.49Å; L635-F664 HydrophobicContact CD2-CD2 4.38Å; L635-F664 HydrophobicContact CD2-CE2 4.02Å; I658-F664 HydrophobicContact CG2-CD2 3.69Å; I658-F664 HydrophobicContact CG2-CE2 3.31Å; I658-F664 HydrophobicContact CG2-CZ 4.33Å; I658-F664 WeakPolarHBondContact O-CD2 3.14Å; H661-F664 PolarHBondContact O-N 3.38Å; V662-F664 PolarHBondContact O-N 2.91Å; F664-G666 PolarHBondContact O-N 3.15Å; F664-F667 HydrophobicContact CB-CB 4.33Å; F664-F667 HydrophobicContact CD1-CB 3.95Å; F664-F667 HydrophobicContact CD1-CD1 4.18Å; F664-F667 HydrophobicContact CD1-CD2 4.27Å; F664-F667 AromaticContact CD1-CG 3.87Å; F664-F667 HydrophobicContact CD1-CG 3.87Å; F664-F667 HydrophobicContact CE1-CG 4.44Å; F664-F667 VanDerWaalsContact O-CB 3.24Å; F664-F667 WeakPolarHBondContact O-CB 3.34Å; F664-F667 PolarHBondContact O-N 3.05Å; F664-W669 HydrophobicContact CB-CZ2 4.29Å; F664-W669 HydrophobicContact CD1-CH2 4.39Å; F664-W669 AromaticContact CD1-CZ2 3.53Å; F664-W669 HydrophobicContact CD1-CZ2 3.53Å; F664-W669 HydrophobicContact CD2-CZ2 4.01Å; F664-W669 HydrophobicContact CE1-CH2 4.1Å; F664-W669 AromaticContact CE1-CZ2 3.68Å; F664-W669 HydrophobicContact CE1-CZ2 3.68Å; F664-W669 HydrophobicContact CE2-CZ2 4.16Å; F664-W669 AromaticContact CG-CZ2 3.69Å; F664-W669 HydrophobicContact CG-CZ2 3.69Å; F664-W669 HydrophobicContact CZ-CH2 4.15Å; F664-W669 AromaticContact CZ-CZ2 3.98Å; F664-W669 HydrophobicContact CZ-CZ2 3.98Å
665E95.9Very high95Very high153 Ų15354.7 Ų54.772%0.71527%0.271SS*.THydrogen-bonded Turntrans-57.5124.6177.6-173.5172.5-160.300110.9V662 F667V662-E665 VanDerWaalsContact O-CB 3.27Å; V662-E665 WeakPolarHBondContact O-CB 3.17Å; V662-E665 PolarHBondContact O-N 2.77Å; E665-F667 VanDerWaalsContact C-N 3.34Å
666G95.1Very high95.3Very high83 Ų8359.9 Ų59.986%0.85630%0.302SS*.THydrogen-bonded Turntrans82-0.1-17700000115.7F664F664-G666 PolarHBondContact O-N 3.15Å
667F97.6Very high95.7Very high30 Ų3057.8 Ų57.813%0.13230%0.298CS..  trans-74131.6176.9-171.8-91.4000111.9Q507 F508 A511 F664 E665 W669 L672 L677Q507-F667 HydrophobicContact CB-CD2 3.95Å; Q507-F667 HydrophobicContact CB-CE2 4.04Å; F508-F667 HydrophobicContact CB-CE2 4.42Å; A511-F667 HydrophobicContact CB-CD1 4.44Å; A511-F667 HydrophobicContact CB-CE1 3.5Å; A511-F667 VanDerWaalsContact CB-CE1 3.5Å; A511-F667 HydrophobicContact CB-CE2 4.39Å; A511-F667 HydrophobicContact CB-CZ 3.47Å; A511-F667 VanDerWaalsContact CB-CZ 3.47Å; F664-F667 HydrophobicContact CB-CB 4.33Å; F664-F667 HydrophobicContact CD1-CB 3.95Å; F664-F667 HydrophobicContact CD1-CD1 4.18Å; F664-F667 HydrophobicContact CD1-CD2 4.27Å; F664-F667 AromaticContact CD1-CG 3.87Å; F664-F667 HydrophobicContact CD1-CG 3.87Å; F664-F667 HydrophobicContact CE1-CG 4.44Å; F664-F667 VanDerWaalsContact O-CB 3.24Å; F664-F667 WeakPolarHBondContact O-CB 3.34Å; F664-F667 PolarHBondContact O-N 3.05Å; E665-F667 VanDerWaalsContact C-N 3.34Å; F667-W669 AromaticContact CD1-CD1 3.74Å; F667-W669 AromaticContact CD1-CD2 3.78Å; F667-W669 HydrophobicContact CD1-CD2 3.78Å; F667-W669 AromaticContact CD1-CE2 3.64Å; F667-W669 AromaticContact CD1-CG 3.84Å; F667-W669 HydrophobicContact CD1-CG 3.84Å; F667-W669 HydrophobicContact CD1-CZ2 4.26Å; F667-W669 AromaticContact CD1-NE1 3.62Å; F667-W669 AromaticContact CE1-CD2 3.99Å; F667-W669 HydrophobicContact CE1-CD2 3.99Å; F667-W669 HydrophobicContact CE1-CE3 4.27Å; F667-W669 HydrophobicContact CE1-CG 4.29Å; F667-W669 PolarHBondContact O-N 3.12Å; F667-W669 VanDerWaalsContact O-N 3.17Å; F667-L672 HydrophobicContact CE1-CB 4.33Å; F667-L672 HydrophobicContact CE1-CD2 4.14Å; F667-L672 HydrophobicContact CZ-CD1 4.44Å; F667-L672 HydrophobicContact CZ-CD2 4.37Å; F667-L677 HydrophobicContact CE1-CD2 4.45Å; F667-L677 HydrophobicContact CE2-CD2 4.16Å; F667-L677 HydrophobicContact CZ-CD2 3.86Å
668D97.4Very high95.9Very high78 Ų7862.8 Ų62.842%0.41732%0.318SS..  trans-87.381.2-178.5-176.613.4000112.5V670 G671 L672 L677D668-V670 VanDerWaalsContact C-N 3.26Å; D668-V670 PolarHBondContact O-N 2.92Å; D668-V670 PolarHBondContact OD1-N 3.19Å; D668-G671 VanDerWaalsContact CG-N 3.27Å; D668-G671 PolarHBondContact O-N 2.85Å; D668-G671 PolarHBondContact OD1-N 3.03Å; D668-G671 WeakPolarHBondContact OD2-CA 3.39Å; D668-G671 PolarHBondContact OD2-N 3.44Å; D668-L672 PolarHBondContact O-N 2.83Å; D668-L677 HydrophobicContact CB-CD1 4.33Å
669W96.7Very high96.1Very high19 Ų1963.1 Ų63.17%0.07232%0.322CS..Hα-helixtrans-61.4-31.7175.3-67.895.6000113.4A511 V514 E659 F664 F667 L672 R673A511-W669 HydrophobicContact CB-CE3 4.21Å; A511-W669 HydrophobicContact CB-CH2 3.57Å; A511-W669 HydrophobicContact CB-CZ2 4.25Å; A511-W669 HydrophobicContact CB-CZ3 3.55Å; V514-W669 HydrophobicContact CB-CH2 4.28Å; V514-W669 HydrophobicContact CB-CZ3 4.37Å; V514-W669 HydrophobicContact CG1-CH2 4.12Å; V514-W669 HydrophobicContact CG1-CZ3 4.15Å; E659-W669 HydrophobicContact CB-CD2 4.24Å; E659-W669 HydrophobicContact CB-CZ2 4.09Å; E659-W669 HydrophobicContact CG-CD2 3.66Å; E659-W669 HydrophobicContact CG-CE3 3.9Å; E659-W669 HydrophobicContact CG-CG 4.22Å; E659-W669 HydrophobicContact CG-CH2 3.98Å; E659-W669 HydrophobicContact CG-CZ2 3.74Å; E659-W669 HydrophobicContact CG-CZ3 4.05Å; F664-W669 HydrophobicContact CB-CZ2 4.29Å; F664-W669 HydrophobicContact CD1-CH2 4.39Å; F664-W669 AromaticContact CD1-CZ2 3.53Å; F664-W669 HydrophobicContact CD1-CZ2 3.53Å; F664-W669 HydrophobicContact CD2-CZ2 4.01Å; F664-W669 HydrophobicContact CE1-CH2 4.1Å; F664-W669 AromaticContact CE1-CZ2 3.68Å; F664-W669 HydrophobicContact CE1-CZ2 3.68Å; F664-W669 HydrophobicContact CE2-CZ2 4.16Å; F664-W669 AromaticContact CG-CZ2 3.69Å; F664-W669 HydrophobicContact CG-CZ2 3.69Å; F664-W669 HydrophobicContact CZ-CH2 4.15Å; F664-W669 AromaticContact CZ-CZ2 3.98Å; F664-W669 HydrophobicContact CZ-CZ2 3.98Å; F667-W669 AromaticContact CD1-CD1 3.74Å; F667-W669 AromaticContact CD1-CD2 3.78Å; F667-W669 HydrophobicContact CD1-CD2 3.78Å; F667-W669 AromaticContact CD1-CE2 3.64Å; F667-W669 AromaticContact CD1-CG 3.84Å; F667-W669 HydrophobicContact CD1-CG 3.84Å; F667-W669 HydrophobicContact CD1-CZ2 4.26Å; F667-W669 AromaticContact CD1-NE1 3.62Å; F667-W669 AromaticContact CE1-CD2 3.99Å; F667-W669 HydrophobicContact CE1-CD2 3.99Å; F667-W669 HydrophobicContact CE1-CE3 4.27Å; F667-W669 HydrophobicContact CE1-CG 4.29Å; F667-W669 PolarHBondContact O-N 3.12Å; F667-W669 VanDerWaalsContact O-N 3.17Å; W669-L672 HydrophobicContact CE3-CD2 4.29Å; W669-L672 HydrophobicContact CZ3-CD2 4.47Å; W669-L672 PolarHBondContact O-N 2.75Å; W669-R673 WeakPolarHBondContact O-CG 3.32Å; W669-R673 PolarHBondContact O-N 2.64Å
670V96.1Very high96.2Very high82 Ų8263.5 Ų63.550%0.49733%0.328SS..Hα-helixtrans-69.8-43.4178.1177.70000109.9D668 L672 R673 K674D668-V670 VanDerWaalsContact C-N 3.26Å; D668-V670 PolarHBondContact O-N 2.92Å; D668-V670 PolarHBondContact OD1-N 3.19Å; V670-L672 VanDerWaalsContact C-N 3.34Å; V670-R673 PolarHBondContact O-N 2.76Å; V670-K674 HydrophobicContact CG1-CD 4.07Å; V670-K674 WeakPolarHBondContact O-CB 3.41Å; V670-K674 WeakPolarHBondContact O-CG 3.37Å; V670-K674 PolarHBondContact O-N 3.27Å
671G97.2Very high96.2Very high2 Ų259 Ų592%0.02131%0.311CS..Hα-helixtrans-61.7-40.1174.400000112.8D668 K674 R675 V676 L677D668-G671 VanDerWaalsContact CG-N 3.27Å; D668-G671 PolarHBondContact O-N 2.85Å; D668-G671 PolarHBondContact OD1-N 3.03Å; D668-G671 WeakPolarHBondContact OD2-CA 3.39Å; D668-G671 PolarHBondContact OD2-N 3.44Å; G671-K674 PolarHBondContact O-N 3.22Å; G671-R675 PolarHBondContact O-N 2.85Å; G671-V676 WeakPolarHBondContact O-CG2 3.28Å; G671-V676 PolarHBondContact O-N 3.01Å; G671-L677 PolarHBondContact O-N 2.84Å
672L97.2Very high95.7Very high0 Ų064 Ų640%033%0.334CS..Hα-helixtrans-60.3-52.9174.7-174.377.5000111.5F465 F508 A511 E515 Y542 F667 D668 W669 V670 K674 R675 L677F465-L672 HydrophobicContact CE1-CG 4.3Å; F465-L672 HydrophobicContact CZ-CG 4.21Å; F508-L672 HydrophobicContact CD2-CD1 4.02Å; F508-L672 HydrophobicContact CE2-CD1 3.68Å; F508-L672 HydrophobicContact CZ-CD1 4.08Å; A511-L672 HydrophobicContact CB-CD2 3.56Å; E515-L672 HydrophobicContact CG-CD2 4.2Å; Y542-L672 HydrophobicContact CD1-CD1 4.38Å; Y542-L672 HydrophobicContact CE1-CD1 3.77Å; Y542-L672 HydrophobicContact CE1-CG 4.48Å; F667-L672 HydrophobicContact CE1-CB 4.33Å; F667-L672 HydrophobicContact CE1-CD2 4.14Å; F667-L672 HydrophobicContact CZ-CD1 4.44Å; F667-L672 HydrophobicContact CZ-CD2 4.37Å; D668-L672 PolarHBondContact O-N 2.83Å; W669-L672 HydrophobicContact CE3-CD2 4.29Å; W669-L672 HydrophobicContact CZ3-CD2 4.47Å; W669-L672 PolarHBondContact O-N 2.75Å; V670-L672 VanDerWaalsContact C-N 3.34Å; L672-K674 VanDerWaalsContact C-N 3.29Å; L672-K674 PolarHBondContact O-N 2.7Å; L672-R675 WeakPolarHBondContact O-CA 3.23Å; L672-R675 PolarHBondContact O-N 3.08Å; L672-L677 HydrophobicContact CB-CD2 4.29Å; L672-L677 HydrophobicContact CD1-CD2 4.32Å
673R95.6Very high95.4Very high75 Ų7562.3 Ų62.328%0.28332%0.321SS..Hα-helixtrans-62.1-35179.9-71168.8-179.2134.80.9113E515 E659 W669 V670 R675E515-R673 IonicContact OE1-CZ 2.65Å; E515-R673 IonicContact OE1-NE 3.09Å; E515-R673 PolarHBondContact OE1-NE 2.83Å; E515-R673 IonicContact OE1-NH2 2.7Å; E515-R673 PolarHBondContact OE1-NH2 3.2Å; E515-R673 IonicContact OE2-NE 3.77Å; E515-R673 PolarHBondContact OE2-NE 2.79Å; E515-R673 IonicContact OE2-NH2 3.49Å; E659-R673 IonicContact OE1-CZ 3.07Å; E659-R673 IonicContact OE1-NH2 3.2Å; E659-R673 PolarHBondContact OE1-NH2 2.81Å; E659-R673 IonicContact OE2-CZ 3.6Å; E659-R673 IonicContact OE2-NH1 2.69Å; E659-R673 PolarHBondContact OE2-NH1 3.02Å; E659-R673 IonicContact OE2-NH2 3.35Å; E659-R673 PolarHBondContact OE2-NH2 2.8Å; E659-R673 VanDerWaalsContact OE2-NH2 3.15Å; W669-R673 WeakPolarHBondContact O-CG 3.32Å; W669-R673 PolarHBondContact O-N 2.64Å; V670-R673 PolarHBondContact O-N 2.76Å; R673-R675 PolarHBondContact O-N 3.15Å
674K96.2Very high94.7Very high150 Ų15068.8 Ų68.865%0.65235%0.352SS*.THydrogen-bonded Turntrans-81.2-2.5174.8-70.6-179.5-179.4178.20113.4V670 G671 L672 V676V670-K674 HydrophobicContact CG1-CD 4.07Å; V670-K674 WeakPolarHBondContact O-CB 3.41Å; V670-K674 WeakPolarHBondContact O-CG 3.37Å; V670-K674 PolarHBondContact O-N 3.27Å; G671-K674 PolarHBondContact O-N 3.22Å; L672-K674 VanDerWaalsContact C-N 3.29Å; L672-K674 PolarHBondContact O-N 2.7Å; K674-V676 HydrophobicContact CB-CG1 4.32Å; K674-V676 HydrophobicContact CB-CG2 4.12Å; K674-V676 PolarHBondContact O-N 2.78Å
675R95.6Very high94.1Very high60 Ų6070.2 Ų70.223%0.22636%0.361CS..THydrogen-bonded Turntrans54.833.9-176.7-57.1-177.756.8107.58.5114D538 Y542 G671 L672 R673D538-R675 IonicContact OD1-NH2 2.66Å; D538-R675 IonicContact OD2-CZ 2.75Å; D538-R675 IonicContact OD2-NH1 3.78Å; D538-R675 PolarHBondContact OD2-NH1 3.21Å; D538-R675 IonicContact OD2-NH2 3.41Å; D538-R675 PolarHBondContact OD2-NH2 2.59Å; Y542-R675 HydrophobicContact CD1-CG 4.42Å; Y542-R675 HydrophobicContact CE1-CB 4.27Å; Y542-R675 HydrophobicContact CE1-CG 4.07Å; Y542-R675 WeakPolarHBondContact OH-CA 3.24Å; G671-R675 PolarHBondContact O-N 2.85Å; L672-R675 WeakPolarHBondContact O-CA 3.23Å; L672-R675 PolarHBondContact O-N 3.08Å; R673-R675 PolarHBondContact O-N 3.15Å
676V96Very high93.7Very high110 Ų11068.2 Ų68.267%0.66736%0.359SS*.  trans-103.8-11.7175.9-62.10000112.5G671 K674G671-V676 WeakPolarHBondContact O-CG2 3.28Å; G671-V676 PolarHBondContact O-N 3.01Å; K674-V676 HydrophobicContact CB-CG1 4.32Å; K674-V676 HydrophobicContact CB-CG2 4.12Å; K674-V676 PolarHBondContact O-N 2.78Å
677L95.5Very high93.2Very high46 Ų4666.8 Ų66.824%0.24134%0.336CS..SBendtrans-69.6132.6173.7-169.562.8000109.4F508 Y542 F667 D668 G671 L672 A679F508-L677 HydrophobicContact CD2-CD2 3.8Å; F508-L677 HydrophobicContact CD2-CG 4.25Å; F508-L677 HydrophobicContact CE2-CB 4.38Å; F508-L677 HydrophobicContact CE2-CD2 4.02Å; F508-L677 HydrophobicContact CE2-CG 4.16Å; Y542-L677 WeakPolarHBondContact CE2-O 3.14Å; Y542-L677 PolarHBondContact OH-N 3.35Å; Y542-L677 PolarHBondContact OH-O 2.87Å; F667-L677 HydrophobicContact CE1-CD2 4.45Å; F667-L677 HydrophobicContact CE2-CD2 4.16Å; F667-L677 HydrophobicContact CZ-CD2 3.86Å; D668-L677 HydrophobicContact CB-CD1 4.33Å; G671-L677 PolarHBondContact O-N 2.84Å; L672-L677 HydrophobicContact CB-CD2 4.29Å; L672-L677 HydrophobicContact CD1-CD2 4.32Å; L677-A679 PolarHBondContact O-N 3.29Å
678K95.3Very high92.6Very high157 Ų15769.1 Ų69.168%0.68335%0.347SS*.PPolyproline II helixtrans-72.4124.5179-170.2-178.9-174.6-179.10109.9E682K678-E682 WeakPolarHBondContact CE-OE1 3.13Å; K678-E682 IonicContact NZ-OE1 3.42Å
679A95.9Very high91.9Very high8 Ų868 Ų687%0.06635%0.346CS..PPolyproline II helixtrans-64143.8174.900000110.9F508 Q540 L677 Y681F508-A679 HydrophobicContact CE1-CB 3.93Å; F508-A679 HydrophobicContact CE2-CB 4.4Å; F508-A679 HydrophobicContact CZ-CB 3.74Å; Q540-A679 WeakPolarHBondContact O-CB 3.39Å; L677-A679 PolarHBondContact O-N 3.29Å; A679-Y681 VanDerWaalsContact C-N 3.27Å; A679-Y681 PolarHBondContact O-N 3.4Å
680P95.6Very high91.5Very high51 Ų5168 Ų6833%0.33135%0.347SS..SBendtrans-65.1-31.1-178.425.9-35.1000112.6A505 F508 Y509A505-P680 HydrophobicContact CB-CB 3.62Å; A505-P680 HydrophobicContact CB-CG 3.87Å; F508-P680 HydrophobicContact CB-CG 4.1Å; F508-P680 HydrophobicContact CD1-CG 4.04Å; F508-P680 VanDerWaalsContact CG-CD 3.46Å; F508-P680 HydrophobicContact CG-CG 4.15Å; Y509-P680 HydrophobicContact CE1-CG 4.26Å; Y509-P680 HydrophobicContact CE2-CG 4.1Å
681Y93Very high91.1Very high50 Ų5066.2 Ų66.220%0.19633%0.334CS..SBendtrans-131.992.9178.6-55.8-66.6000109.9L494 K498 F501 A505 Y509 A679 R683L494-Y681 HydrophobicContact CD1-CG 4.46Å; L494-Y681 HydrophobicContact CD2-CD2 3.81Å; L494-Y681 HydrophobicContact CD2-CG 4.11Å; L494-Y681 HydrophobicContact CG-CD2 4.49Å; K498-Y681 HydrophobicContact CD-CE1 4.21Å; K498-Y681 HydrophobicContact CG-CE1 4.44Å; F501-Y681 AromaticContact CD1-CE2 3.64Å; F501-Y681 HydrophobicContact CD1-CE2 3.64Å; F501-Y681 HydrophobicContact CE1-CD2 4.41Å; F501-Y681 AromaticContact CE1-CE2 3.79Å; F501-Y681 HydrophobicContact CE1-CE2 3.79Å; F501-Y681 HydrophobicContact CG-CE2 4.21Å; F501-Y681 HydrophobicContact CZ-CE2 4.47Å; A505-Y681 HydrophobicContact CB-CD2 4.48Å; A505-Y681 HydrophobicContact CB-CE2 3.73Å; Y509-Y681 AromaticContact CE2-CD2 3.89Å; Y509-Y681 HydrophobicContact CE2-CD2 3.89Å; Y509-Y681 HydrophobicContact CE2-CE2 4.24Å; Y509-Y681 WeakPolarHBondContact OH-CD2 3.32Å; A679-Y681 VanDerWaalsContact C-N 3.27Å; A679-Y681 PolarHBondContact O-N 3.4Å; Y681-R683 PolarHBondContact O-N 2.87Å
682E85.9Confident90.8Very high113 Ų11372.5 Ų72.553%0.52836%0.358SS..  trans-63.2134.7171.2-72.5175.3-164.900110.6K678K678-E682 WeakPolarHBondContact CE-OE1 3.13Å; K678-E682 IonicContact NZ-OE1 3.42Å
683R89.5Confident90.4Very high29 Ų2973.8 Ų73.811%0.10936%0.363CS..  trans-100.797179.9-58.4-61.4-74.2170.1-16.5108.8G488 L537 Y681 V685 H693G488-R683 PolarHBondContact O-NE 3.04Å; G488-R683 PolarHBondContact O-NH2 3.02Å; G488-R683 VanDerWaalsContact O-NH2 3.16Å; L537-R683 HydrophobicContact CB-CG 4.21Å; L537-R683 HydrophobicContact CD1-CG 4.06Å; Y681-R683 PolarHBondContact O-N 2.87Å; R683-V685 PolarHBondContact O-N 3.28Å; R683-V685 VanDerWaalsContact O-N 3.11Å; R683-H693 PolarHBondContact NH2-CD2 3.45Å
684Q83.8Confident90.1Very high144 Ų14471.7 Ų71.767%0.67336%0.356SS*.  trans-65.7112.8-179.8-67.9-172.8000110.8R692 H693Q684-R692 WeakPolarHBondContact O-CD 3.21Å; Q684-H693 PolarHBondContact O-CE1 2.83Å; Q684-H693 VanDerWaalsContact O-CE1 3.26Å
685V85.5Confident89.6Confident35 Ų3568.7 Ų68.721%0.21235%0.348CS..  trans-119.7121177.81750000107.6L487 T539 R683 S687 D690L487-V685 HydrophobicContact CB-CG1 4Å; L487-V685 HydrophobicContact CB-CG2 4Å; L487-V685 HydrophobicContact CD1-CG1 3.84Å; T539-V685 HydrophobicContact CG2-CB 4.04Å; T539-V685 HydrophobicContact CG2-CG1 4.21Å; T539-V685 HydrophobicContact CG2-CG2 4.06Å; R683-V685 PolarHBondContact O-N 3.28Å; R683-V685 VanDerWaalsContact O-N 3.11Å; V685-S687 WeakPolarHBondContact CG1-O 3.25Å; V685-D690 HydrophobicContact CG1-CB 3.99Å
686T86Confident89Confident111 Ų11175.2 Ų75.268%0.68138%0.38SS*.  trans-87.2-19.5-174.655.70000113.8D690 R692T686-D690 PolarHBondContact N-OD2 3.35Å; T686-D690 PolarHBondContact OG1-OD2 3.17Å; T686-R692 PolarHBondContact OG1-NH2 2.89Å
687S86.3Confident88.4Confident52 Ų5272.7 Ų72.736%0.36436%0.36SS..SBendtrans-158.8166.8179.670.10000111.1V685 S689 D690V685-S687 WeakPolarHBondContact CG1-O 3.25Å; S687-S689 PolarHBondContact O-N 3.47Å; S687-S689 PolarHBondContact OG-N 3.04Å; S687-S689 PolarHBondContact OG-OG 3.33Å; S687-D690 WeakPolarHBondContact O-CB 3.3Å; S687-D690 PolarHBondContact O-N 3.18Å; S687-D690 PolarHBondContact OG-N 3.07Å
688Q84.6Confident87.9Confident80 Ų8075.5 Ų75.537%0.37438%0.38SS..THydrogen-bonded Turntrans-68.8-1.8176.4-67.8-63.1-15.600114.2T431 L487T431-Q688 HydrophobicContact CG2-CB 3.97Å; T431-Q688 WeakPolarHBondContact CG2-O 3.28Å; T431-Q688 PolarHBondContact OG1-O 2.77Å; T431-Q688 VanDerWaalsContact OG1-O 3.12Å; T431-Q688 PolarHBondContact OG1-OE1 2.86Å; L487-Q688 VanDerWaalsContact CD1-OE1 3.32Å
689S83.1Confident87Confident55 Ų5576.3 Ų76.339%0.38539%0.387SS..THydrogen-bonded Turntrans-118.511.9173.958.10000112.9S687 L691S687-S689 PolarHBondContact O-N 3.47Å; S687-S689 PolarHBondContact OG-N 3.04Å; S687-S689 PolarHBondContact OG-OG 3.33Å; S689-L691 PolarHBondContact O-N 2.78Å
690D86.6Confident85.9Confident17 Ų1778.6 Ų78.69%0.09140%0.396CS..  trans-81.5114.1178.1-179.61.6000110.1V685 T686 S687 R692V685-D690 HydrophobicContact CG1-CB 3.99Å; T686-D690 PolarHBondContact N-OD2 3.35Å; T686-D690 PolarHBondContact OG1-OD2 3.17Å; S687-D690 WeakPolarHBondContact O-CB 3.3Å; S687-D690 PolarHBondContact O-N 3.18Å; S687-D690 PolarHBondContact OG-N 3.07Å; D690-R692 WeakPolarHBondContact OD1-CB 3.42Å; D690-R692 WeakPolarHBondContact OD1-CG 3.43Å; D690-R692 IonicContact OD1-CZ 3.79Å; D690-R692 PolarHBondContact OD1-N 2.66Å; D690-R692 VanDerWaalsContact OD1-N 3.14Å; D690-R692 IonicContact OD1-NE 2.86Å; D690-R692 PolarHBondContact OD1-NE 3.39Å; D690-R692 VanDerWaalsContact OD1-NE 3.08Å; D690-R692 IonicContact OD1-NH2 3.14Å; D690-R692 IonicContact OD2-CZ 3.92Å; D690-R692 IonicContact OD2-NE 3.3Å; D690-R692 PolarHBondContact OD2-NE 2.99Å; D690-R692 IonicContact OD2-NH2 3.82Å; D690-R692 PolarHBondContact OD2-NH2 3.35Å
691L88.1Confident85Confident46 Ų4682.9 Ų82.924%0.24142%0.421CS..  trans-11117.6-173.8-59175.3000113.1S409 L411 L421 L487 S689 H693 F694S409-L691 WeakPolarHBondContact OG-CD1 3.26Å; L411-L691 HydrophobicContact CD2-CD2 3.36Å; L421-L691 HydrophobicContact CD2-CD2 4.11Å; L487-L691 HydrophobicContact CD2-CD2 4.42Å; S689-L691 PolarHBondContact O-N 2.78Å; L691-H693 PolarHBondContact O-N 2.98Å; L691-F694 HydrophobicContact CB-CB 4.48Å; L691-F694 HydrophobicContact CB-CD2 4.27Å; L691-F694 HydrophobicContact CD2-CD2 3.96Å; L691-F694 HydrophobicContact CD2-CE2 4.28Å; L691-F694 PolarHBondContact O-N 2.95Å
692R90.8Very high84.3Confident134 Ų13487 Ų8751%0.50644%0.443SS..THydrogen-bonded Turntrans-55.8-15.8-176.672.6179.266.1-170-0.4115.3Q684 T686 D690Q684-R692 WeakPolarHBondContact O-CD 3.21Å; T686-R692 PolarHBondContact OG1-NH2 2.89Å; D690-R692 WeakPolarHBondContact OD1-CB 3.42Å; D690-R692 WeakPolarHBondContact OD1-CG 3.43Å; D690-R692 IonicContact OD1-CZ 3.79Å; D690-R692 PolarHBondContact OD1-N 2.66Å; D690-R692 VanDerWaalsContact OD1-N 3.14Å; D690-R692 IonicContact OD1-NE 2.86Å; D690-R692 PolarHBondContact OD1-NE 3.39Å; D690-R692 VanDerWaalsContact OD1-NE 3.08Å; D690-R692 IonicContact OD1-NH2 3.14Å; D690-R692 IonicContact OD2-CZ 3.92Å; D690-R692 IonicContact OD2-NE 3.3Å; D690-R692 PolarHBondContact OD2-NE 2.99Å; D690-R692 IonicContact OD2-NH2 3.82Å; D690-R692 PolarHBondContact OD2-NH2 3.35Å
693H89.2Confident84.1Confident26 Ų2689 Ų8912%0.1245%0.452CS..THydrogen-bonded Turntrans-100.77.2-178.9-55.4130.7000113L487 G488 R683 Q684 L691L487-H693 PolarHBondContact O-ND1 2.93Å; L487-H693 VanDerWaalsContact O-ND1 3.14Å; G488-H693 WeakPolarHBondContact O-CB 3.43Å; R683-H693 PolarHBondContact NH2-CD2 3.45Å; Q684-H693 PolarHBondContact O-CE1 2.83Å; Q684-H693 VanDerWaalsContact O-CE1 3.26Å; L691-H693 PolarHBondContact O-N 2.98Å
694F88.7Confident84Confident31 Ų3188.4 Ų88.414%0.13645%0.452CS..SBendtrans-118.5149.7179.3-64.8-93000110.2L411 C486 L487 M536 L691L411-F694 HydrophobicContact CB-CD1 4.19Å; L411-F694 HydrophobicContact CB-CE1 4.18Å; L411-F694 HydrophobicContact CD2-CD1 4.05Å; L411-F694 HydrophobicContact CD2-CD2 4.3Å; L411-F694 HydrophobicContact CD2-CE1 3.97Å; L411-F694 HydrophobicContact CD2-CE2 4.24Å; L411-F694 HydrophobicContact CD2-CG 4.21Å; L411-F694 HydrophobicContact CD2-CZ 4.07Å; L411-F694 WeakPolarHBondContact O-CD1 3.45Å; C486-F694 WeakPolarHBondContact O-CZ 3.25Å; L487-F694 HydrophobicContact CD2-CE2 4.43Å; M536-F694 HydrophobicContact CE-CE1 3.92Å; M536-F694 HydrophobicContact CE-CZ 4.14Å; L691-F694 HydrophobicContact CB-CB 4.48Å; L691-F694 HydrophobicContact CB-CD2 4.27Å; L691-F694 HydrophobicContact CD2-CD2 3.96Å; L691-F694 HydrophobicContact CD2-CE2 4.28Å; L691-F694 PolarHBondContact O-N 2.95Å
695D85.5Confident84.3Confident88 Ų8888.5 Ų88.547%0.47145%0.452SS..  trans-73.2155172.6-68-30.2000110.7Y697D695-Y697 HydrophobicContact CB-CE2 3.9Å; D695-Y697 WeakPolarHBondContact O-CD2 3.47Å; D695-Y697 VanDerWaalsContact O-CE2 3.29Å; D695-Y697 WeakPolarHBondContact O-CE2 3.27Å
696E83.9Confident84.7Confident196 Ų19691 Ų9192%0.91646%0.464SS*.  trans-80.9127.3172.2-73.1-176.1175.900110.5
697Y84.4Confident85Confident58 Ų5886.2 Ų86.223%0.22743%0.434CS..  trans-116135.7177.2-62.8-86.6000110.6T410 L411 D695T410-Y697 HydrophobicContact CG2-CD2 4.21Å; T410-Y697 HydrophobicContact CG2-CG 4.1Å; L411-Y697 WeakPolarHBondContact O-CE2 3.35Å; D695-Y697 HydrophobicContact CB-CE2 3.9Å; D695-Y697 WeakPolarHBondContact O-CD2 3.47Å; D695-Y697 VanDerWaalsContact O-CE2 3.29Å; D695-Y697 WeakPolarHBondContact O-CE2 3.27Å
698P83.3Confident85.3Confident104 Ų10490.1 Ų90.168%0.67545%0.449SS*.PPolyproline II helixtrans-67152.6177.328.2-33.9000111.4R418R418-P698 PolarHBondContact NH1-O 3.23Å
699E76.9Confident85.5Confident175 Ų17590.3 Ų90.382%0.81846%0.46SS*.PPolyproline II helixtrans-61.7150174.1-70.6-174169.700112
700E73.9Confident86Confident55 Ų5588.8 Ų88.826%0.25745%0.452SS..PPolyproline II helixtrans-82.2124.1176.7-162.9150.7-118.500110.5R418 R438R418-E700 IonicContact CZ-OE1 3.67Å; R418-E700 VanDerWaalsContact CZ-OE1 3.31Å; R418-E700 IonicContact NE-OE1 3.64Å; R418-E700 PolarHBondContact NE-OE1 3.4Å; R418-E700 IonicContact NE-OE2 2.7Å; R418-E700 VanDerWaalsContact NH2-CB 3.3Å; R418-E700 IonicContact NH2-OE1 3.16Å; R418-E700 PolarHBondContact NH2-OE1 2.82Å; R438-E700 IonicContact CZ-OE1 2.67Å; R438-E700 IonicContact NE-OE1 2.93Å; R438-E700 VanDerWaalsContact NH2-CD 3.27Å; R438-E700 IonicContact NH2-OE1 2.8Å; R438-E700 PolarHBondContact NH2-OE1 2.91Å
701T75.4Confident86.2Confident142 Ų14290 Ų9087%0.87146%0.456SS*.  trans-102-10.2179.754.10000114.1
702E79.2Confident86.5Confident137 Ų13787.8 Ų87.864%0.6444%0.444SS*.  trans-114.3119.1-168.6-135.7176.7-155.900111.3
703E81.8Confident86.6Confident155 Ų15588.4 Ų88.472%0.72445%0.453SS*.PPolyproline II helixtrans-89.4131.7174.5-71.9-169.1169.900110.8
704P86.8Confident86.6Confident16 Ų1689.5 Ų89.510%0.10446%0.464CS..PPolyproline II helixtrans-74163.2174.533.4-35.9000111.4R438 K477 Y478R438-P704 HydrophobicContact CG-CG 4.23Å; K477-P704 HydrophobicContact CB-CG 4.07Å; K477-P704 PolarHBondContact NZ-O 2.95Å; Y478-P704 HydrophobicContact CE1-CG 3.87Å; Y478-P704 HydrophobicContact CE2-CG 4.15Å; Y478-P704 VanDerWaalsContact CZ-CD 3.47Å; Y478-P704 WeakPolarHBondContact OH-CD 3.24Å
705E89.9Confident86.7Confident146 Ų14689.3 Ų89.368%0.68246%0.463SS*.PPolyproline II helixtrans-65.7160.6172.2-61.7-171.116900111.9
706D93.5Very high86.8Confident87 Ų8789.4 Ų89.447%0.46546%0.462SS..PPolyproline II helixtrans-72.4137.6175.1-80.523000110.4N476 K477N476-D706 HydrophobicContact CB-CB 4.2Å; N476-D706 WeakPolarHBondContact CB-OD2 3.38Å; N476-D706 PolarHBondContact ND2-OD2 3.45Å; N476-D706 CarbonylContact O-C 3.57Å; N476-D706 WeakPolarHBondContact O-CA 3.42Å; K477-D706 WeakPolarHBondContact CE-OD1 3.27Å; K477-D706 WeakPolarHBondContact CG-OD1 3.39Å; K477-D706 IonicContact NZ-OD1 3.45Å; K477-D706 PolarHBondContact NZ-OD1 3.38Å
707E93.1Very high86.9Confident11 Ų1183.8 Ų83.85%0.05144%0.439CS..  trans-130.1111.8179.8-163-62.2106.600108.5K439 I443 N476 S709 W711K439-E707 HydrophobicContact CB-CB 3.63Å; K439-E707 HydrophobicContact CB-CG 3.88Å; K439-E707 HydrophobicContact CD-CB 3.97Å; K439-E707 PolarHBondContact NZ-O 2.69Å; I443-E707 HydrophobicContact CD1-CG 3.35Å; I443-E707 WeakPolarHBondContact CD1-OE1 3.4Å; I443-E707 HydrophobicContact CG1-CG 4.41Å; N476-E707 PolarHBondContact O-N 3.31Å; N476-E707 VanDerWaalsContact O-O 3.12Å; E707-S709 WeakPolarHBondContact OE1-CA 3.07Å; E707-S709 WeakPolarHBondContact OE1-CB 3.32Å; E707-S709 PolarHBondContact OE1-N 2.99Å; E707-S709 PolarHBondContact OE1-OG 2.81Å; E707-W711 PolarHBondContact OE2-NE1 3Å
708I91.7Very high87.1Confident133 Ų13385.2 Ų85.268%0.68245%0.45SS*.  trans-127.721.9-16859.3168.9000113.4N476 G710N476-I708 HydrophobicContact CB-CG2 4.47Å; I708-G710 PolarHBondContact O-N 3.31Å
709S90.3Very high87.3Confident85 Ų8584.1 Ų84.159%0.59444%0.437SS*.SBendtrans-69.6-19.5-179.662.40000114E707E707-S709 WeakPolarHBondContact OE1-CA 3.07Å; E707-S709 WeakPolarHBondContact OE1-CB 3.32Å; E707-S709 PolarHBondContact OE1-N 2.99Å; E707-S709 PolarHBondContact OE1-OG 2.81Å
710G92Very high88Confident22 Ų2278.4 Ų78.423%0.22741%0.413CS..SBendtrans88.86.6173.200000115.6I708 D712 E713I708-G710 PolarHBondContact O-N 3.31Å; G710-D712 PolarHBondContact O-N 3.39Å; G710-D712 VanDerWaalsContact O-N 3.1Å; G710-E713 WeakPolarHBondContact O-CG 3.27Å; G710-E713 PolarHBondContact O-N 2.79Å
711W92.8Very high88.9Confident42 Ų4280 Ų8016%0.15942%0.424CS..THydrogen-bonded Turntrans-58.5-24.5175.572.9-87.8000113K439 I442 E448 V451 I452 V479 E707K439-W711 HydrophobicContact CG-CZ2 4.26Å; I442-W711 HydrophobicContact CB-CZ2 4.31Å; I442-W711 HydrophobicContact CD1-CH2 3.9Å; I442-W711 HydrophobicContact CD1-CZ2 4.04Å; I442-W711 HydrophobicContact CG2-CH2 3.86Å; I442-W711 HydrophobicContact CG2-CZ2 3.97Å; I442-W711 HydrophobicContact CG2-CZ3 4.49Å; E448-W711 HydrophobicContact CB-CD2 4.02Å; E448-W711 HydrophobicContact CB-CE3 3.67Å; E448-W711 HydrophobicContact CB-CG 4.5Å; E448-W711 HydrophobicContact CB-CZ3 4.12Å; E448-W711 HydrophobicContact CG-CD2 3.82Å; E448-W711 HydrophobicContact CG-CE3 4Å; E448-W711 HydrophobicContact CG-CG 4.07Å; V451-W711 HydrophobicContact CB-CH2 4.2Å; V451-W711 HydrophobicContact CB-CZ3 4.17Å; V451-W711 HydrophobicContact CG1-CH2 3.91Å; V451-W711 HydrophobicContact CG1-CZ3 4.11Å; I452-W711 HydrophobicContact CD1-CE3 4.01Å; I452-W711 HydrophobicContact CD1-CZ3 4.47Å; I452-W711 HydrophobicContact CG1-CE3 4.09Å; I452-W711 HydrophobicContact CG1-CZ3 4.05Å; V479-W711 HydrophobicContact CG1-CH2 4.26Å; V479-W711 HydrophobicContact CG1-CZ2 4.33Å; V479-W711 HydrophobicContact CG2-CH2 4.37Å; E707-W711 PolarHBondContact OE2-NE1 3Å
712D93.7Very high89.9Confident1 Ų175.6 Ų75.61%0.00539%0.392CS..THydrogen-bonded Turntrans-91.912.2-177.169.6-46.4000113.7K439 R474 V479 G710 S714 F715K439-D712 WeakPolarHBondContact CE-OD2 3.44Å; K439-D712 IonicContact NZ-OD1 3.96Å; K439-D712 PolarHBondContact NZ-OD1 3.38Å; K439-D712 IonicContact NZ-OD2 2.71Å; K439-D712 PolarHBondContact NZ-OD2 2.56Å; R474-D712 WeakPolarHBondContact CB-OD2 3.47Å; R474-D712 WeakPolarHBondContact CD-O 3.26Å; R474-D712 VanDerWaalsContact CD-OD2 3.24Å; R474-D712 WeakPolarHBondContact CD-OD2 3.41Å; R474-D712 IonicContact CZ-OD2 3.55Å; R474-D712 IonicContact NH1-OD1 2.72Å; R474-D712 PolarHBondContact NH1-OD1 3.43Å; R474-D712 IonicContact NH1-OD2 3.36Å; R474-D712 PolarHBondContact NH1-OD2 3.07Å; R474-D712 VanDerWaalsContact NH1-OD2 3.07Å; V479-D712 HydrophobicContact CG1-CB 3.74Å; G710-D712 PolarHBondContact O-N 3.39Å; G710-D712 VanDerWaalsContact O-N 3.1Å; D712-S714 PolarHBondContact O-N 2.73Å; D712-F715 HydrophobicContact CB-CD2 4.32Å; D712-F715 WeakPolarHBondContact O-CB 3.13Å; D712-F715 PolarHBondContact O-N 3.26Å
713E92.2Very high90.7Very high147 Ų14770.8 Ų70.869%0.68737%0.373SS*.THydrogen-bonded Turntrans-54-26.2-175.9-91.1-176-178.300115G710 F715G710-E713 WeakPolarHBondContact O-CG 3.27Å; G710-E713 PolarHBondContact O-N 2.79Å; E713-F715 VanDerWaalsContact C-N 3.3Å; E713-F715 PolarHBondContact O-N 3.3Å
714S89.3Confident91.4Very high49 Ų4963.8 Ų63.834%0.34334%0.343SS..THydrogen-bonded Turntrans-74.4-12.617861.50000114.7R455 D712R455-S714 PolarHBondContact NE-O 3.26Å; R455-S714 PolarHBondContact NH2-O 3.4Å; D712-S714 PolarHBondContact O-N 2.73Å
715F91.7Very high91.8Very high27 Ų2768.2 Ų68.212%0.11837%0.365CS..  trans-82.20-174.1-80.4-105000115V451 I452 R455 T472 F473 R474 V479 L481 D712 E713V451-F715 HydrophobicContact CG1-CE1 4.36Å; V451-F715 HydrophobicContact CG1-CE2 4.41Å; V451-F715 HydrophobicContact CG1-CZ 3.68Å; I452-F715 HydrophobicContact CG1-CE2 4.21Å; R455-F715 HydrophobicContact CB-CE1 4.13Å; R455-F715 HydrophobicContact CB-CE2 4.43Å; R455-F715 HydrophobicContact CB-CZ 3.77Å; R455-F715 HydrophobicContact CG-CE1 4.44Å; R455-F715 HydrophobicContact CG-CZ 4.31Å; T472-F715 VanDerWaalsContact CB-OXT 3.26Å; T472-F715 WeakPolarHBondContact CB-OXT 3.44Å; T472-F715 HydrophobicContact CG2-CD1 4.11Å; T472-F715 HydrophobicContact CG2-CE1 4.36Å; T472-F715 PolarHBondContact OG1-OXT 3.46Å; F473-F715 PolarHBondContact N-OXT 3.16Å; R474-F715 HydrophobicContact CB-CB 3.99Å; R474-F715 WeakPolarHBondContact CD-O 3.33Å; R474-F715 HydrophobicContact CG-CB 4.39Å; V479-F715 HydrophobicContact CB-CD1 3.85Å; V479-F715 HydrophobicContact CB-CE1 4.04Å; V479-F715 HydrophobicContact CB-CG 4.3Å; V479-F715 HydrophobicContact CG1-CD1 4.18Å; V479-F715 HydrophobicContact CG1-CD2 4.4Å; V479-F715 HydrophobicContact CG1-CG 4.12Å; V479-F715 HydrophobicContact CG2-CE1 4.41Å; L481-F715 HydrophobicContact CD2-CD1 4.39Å; L481-F715 HydrophobicContact CD2-CE1 3.73Å; D712-F715 HydrophobicContact CB-CD2 4.32Å; D712-F715 WeakPolarHBondContact O-CB 3.13Å; D712-F715 PolarHBondContact O-N 3.26Å; E713-F715 VanDerWaalsContact C-N 3.3Å; E713-F715 PolarHBondContact O-N 3.3Å

Retrieved 715 of 715 residues in 303.8 ms (Link to these results)

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