A0A087XCG1_POEFO Loading...

Adenylyltransferase and sulfurtransferase MOCS3

Plays a central role in 2-thiolation of mcm(5)S(2)U at tRNA wobble positions of cytosolic tRNA(Lys), tRNA(Glu) and tRNA(Gln). Also essential during biosynthesis of the molybdenum cofactor. Acts by mediating the C-terminal thiocarboxylation of sulfur carriers URM1 and MOCS2A. Its N-terminus first activates URM1 and MOCS2A as acyl-adenylates (-COAMP), then the persulfide sulfur on the catalytic cysteine is transferred to URM1 and MOCS2A to form thiocarboxylation (-COSH) of their C-terminus. The reaction probably involves hydrogen sulfide that is generated from the persulfide intermediate and that acts as nucleophile towards URM1 and MOCS2A. Subsequently, a transient disulfide bond is formed. Does not use thiosulfate as sulfur donor; NFS1 probably acting as a sulfur donor for thiocarboxylation reactions.

AlphaFold DB , UniProt , Accession A0A087XCG1, Species POEFO (Poecilia formosa, Amazon molly), Gene MOCS3, Length 461 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
1M60.8Low80Confident188 Ų188114.7 Ų114.793%0.92662%0.615SS**  0-74.20-75.9-151.2-77.400114.7Q3 E4 V5M1-Q3 PolarHBondContact O-N 3.34Å; M1-E4 WeakPolarHBondContact CA-OE2 3.35Å; M1-E4 PolarHBondContact N-OE2 3.17Å; M1-E4 PolarHBondContact O-N 3.04Å; M1-V5 VanDerWaalsContact O-CG2 3.3Å; M1-V5 WeakPolarHBondContact O-CG2 3.37Å; M1-V5 PolarHBondContact O-N 3.33Å
2A69.9Low80.9Confident87 Ų87114.2 Ų114.272%0.71961%0.611SS**Hα-helixtrans-64-39.4-173.200000114.7C6A2-C6 PolarHBondContact O-N 3.4Å; A2-C6 VanDerWaalsContact O-N 3.17Å
3Q72.8Confident81.8Confident178 Ų178115 Ų11583%0.83261%0.609SS**Hα-helixtrans-68.8-38.1175.9-97173.8-31.100113.2M1 C6 S7M1-Q3 PolarHBondContact O-N 3.34Å; Q3-C6 PolarHBondContact O-N 3.32Å; Q3-S7 WeakPolarHBondContact O-CB 3.49Å; Q3-S7 PolarHBondContact O-N 2.9Å
4E77.6Confident82.7Confident123 Ų123116 Ų11658%0.57561%0.609SS**Hα-helixtrans-67.1-40.4176.4-73.2162.2133.300111.6M1 C6 S7 L8M1-E4 WeakPolarHBondContact CA-OE2 3.35Å; M1-E4 PolarHBondContact N-OE2 3.17Å; M1-E4 PolarHBondContact O-N 3.04Å; E4-C6 VanDerWaalsContact C-N 3.28Å; E4-C6 PolarHBondContact O-N 2.98Å; E4-S7 PolarHBondContact O-N 3.16Å; E4-L8 WeakPolarHBondContact O-CB 3.3Å; E4-L8 WeakPolarHBondContact O-CG 3.47Å; E4-L8 PolarHBondContact O-N 2.81Å
5V81.2Confident83.2Confident78 Ų78115.9 Ų115.947%0.47360%0.601SS.*Hα-helixtrans-63.1-37.6175.4172.80000110.9M1 K9M1-V5 VanDerWaalsContact O-CG2 3.3Å; M1-V5 WeakPolarHBondContact O-CG2 3.37Å; M1-V5 PolarHBondContact O-N 3.33Å; V5-K9 HydrophobicContact CG1-CD 4.49Å; V5-K9 WeakPolarHBondContact O-CG 3.43Å; V5-K9 PolarHBondContact O-N 2.98Å; V5-K9 VanDerWaalsContact O-N 3.09Å
6C81.6Confident83.8Confident88 Ų88115.4 Ų115.460%0.59560%0.595SS**Hα-helixtrans-69.8-40.5177.2-152.20000112.2A2 Q3 E4 K9 A10A2-C6 PolarHBondContact O-N 3.4Å; A2-C6 VanDerWaalsContact O-N 3.17Å; Q3-C6 PolarHBondContact O-N 3.32Å; E4-C6 VanDerWaalsContact C-N 3.28Å; E4-C6 PolarHBondContact O-N 2.98Å; C6-K9 PolarHBondContact O-N 3.42Å; C6-A10 PolarHBondContact O-N 3.33Å; C6-A10 VanDerWaalsContact O-N 3.16Å
7S85.6Confident84.3Confident65 Ų65117.8 Ų117.846%0.45560%0.6SS.*Hα-helixtrans-62.3-43.1173.9157.30000112.5Q3 E4 A10 R11Q3-S7 WeakPolarHBondContact O-CB 3.49Å; Q3-S7 PolarHBondContact O-N 2.9Å; E4-S7 PolarHBondContact O-N 3.16Å; S7-A10 PolarHBondContact O-N 3.39Å; S7-R11 PolarHBondContact O-N 3.12Å; S7-R11 VanDerWaalsContact O-N 3.12Å
8L85.3Confident84.8Confident101 Ų101116.3 Ų116.353%0.52959%0.59SS.*Hα-helixtrans-67.2-38.6179.1-74.9166.7000111.8E4 R11 L12E4-L8 WeakPolarHBondContact O-CB 3.3Å; E4-L8 WeakPolarHBondContact O-CG 3.47Å; E4-L8 PolarHBondContact O-N 2.81Å; L8-R11 PolarHBondContact O-N 3.46Å; L8-L12 WeakPolarHBondContact O-CB 3.32Å; L8-L12 PolarHBondContact O-N 3.09Å
9K87.8Confident85.2Confident143 Ų143114.9 Ų114.962%0.62258%0.583SS**Hα-helixtrans-62-43.4174.5-77.5179.7177.1-173.30112.5V5 C6 R11 L12 E13V5-K9 HydrophobicContact CG1-CD 4.49Å; V5-K9 WeakPolarHBondContact O-CG 3.43Å; V5-K9 PolarHBondContact O-N 2.98Å; V5-K9 VanDerWaalsContact O-N 3.09Å; C6-K9 PolarHBondContact O-N 3.42Å; K9-R11 PolarHBondContact O-N 3.5Å; K9-L12 WeakPolarHBondContact O-CB 3.37Å; K9-L12 PolarHBondContact O-N 3.43Å; K9-E13 PolarHBondContact O-N 2.86Å
10A88.8Confident85.6Confident55 Ų55113.1 Ų113.146%0.45558%0.578SS.*Hα-helixtrans-63.5-41.2177.100000112.4C6 S7 L12 E13 E14C6-A10 PolarHBondContact O-N 3.33Å; C6-A10 VanDerWaalsContact O-N 3.16Å; S7-A10 PolarHBondContact O-N 3.39Å; A10-L12 VanDerWaalsContact C-N 3.29Å; A10-L12 PolarHBondContact O-N 3.06Å; A10-E13 PolarHBondContact O-N 3.27Å; A10-E14 PolarHBondContact O-N 3.44Å
11R88.5Confident85.9Confident156 Ų156112.6 Ų112.659%0.58958%0.577SS**Hα-helixtrans-65.1-32.1173.8-78176.565.9179.40.8112.7S7 L8 K9 K15S7-R11 PolarHBondContact O-N 3.12Å; S7-R11 VanDerWaalsContact O-N 3.12Å; L8-R11 PolarHBondContact O-N 3.46Å; K9-R11 PolarHBondContact O-N 3.5Å; R11-K15 WeakPolarHBondContact O-CB 3.49Å; R11-K15 VanDerWaalsContact O-CG 3.29Å; R11-K15 WeakPolarHBondContact O-CG 3.4Å; R11-K15 PolarHBondContact O-N 3.42Å
12L91.4Very high87.2Confident108 Ų108108.5 Ų108.557%0.56556%0.558SS**Hα-helixtrans-67.8-46.6177.3-145.6115.9000110.6L8 K9 A10 E14 K15 E16L8-L12 WeakPolarHBondContact O-CB 3.32Å; L8-L12 PolarHBondContact O-N 3.09Å; K9-L12 WeakPolarHBondContact O-CB 3.37Å; K9-L12 PolarHBondContact O-N 3.43Å; A10-L12 VanDerWaalsContact C-N 3.29Å; A10-L12 PolarHBondContact O-N 3.06Å; L12-E14 VanDerWaalsContact C-N 3.34Å; L12-E14 PolarHBondContact O-N 3.17Å; L12-K15 PolarHBondContact O-N 3.42Å; L12-E16 WeakPolarHBondContact O-CB 3.48Å; L12-E16 WeakPolarHBondContact O-CG 3.29Å; L12-E16 PolarHBondContact O-N 3.06Å
13E92.6Very high88Confident125 Ų125111 Ų11158%0.58455%0.553SS**Hα-helixtrans-61.5-38.9175.1-83.5-178.7159.400112.8K9 A10 E16 K17K9-E13 PolarHBondContact O-N 2.86Å; A10-E13 PolarHBondContact O-N 3.27Å; E13-E16 PolarHBondContact O-N 3.34Å; E13-K17 PolarHBondContact O-N 3.46Å
14E93.4Very high88.6Confident129 Ų129107.1 Ų107.160%0.60354%0.538SS*.Hα-helixtrans-64.5-44.3176.1-171.9177.7-164.500111.6A10 L12 K17 E18A10-E14 PolarHBondContact O-N 3.44Å; L12-E14 VanDerWaalsContact C-N 3.34Å; L12-E14 PolarHBondContact O-N 3.17Å; E14-K17 PolarHBondContact O-N 2.92Å; E14-E18 PolarHBondContact O-N 3.35Å
15K90.8Very high88.8Confident114 Ų114107.6 Ų107.650%0.49654%0.538SS..Hα-helixtrans-68.3-34.8176.7-71.3-72.1162.7-159.40112.4R11 L12 E18 I19R11-K15 WeakPolarHBondContact O-CB 3.49Å; R11-K15 VanDerWaalsContact O-CG 3.29Å; R11-K15 WeakPolarHBondContact O-CG 3.4Å; R11-K15 PolarHBondContact O-N 3.42Å; L12-K15 PolarHBondContact O-N 3.42Å; K15-E18 WeakPolarHBondContact CD-OE2 3.29Å; K15-E18 IonicContact NZ-OE2 3.72Å; K15-E18 PolarHBondContact NZ-OE2 3.02Å; K15-E18 PolarHBondContact O-N 3.05Å; K15-I19 VanDerWaalsContact O-CG1 3.25Å; K15-I19 WeakPolarHBondContact O-CG1 3.46Å; K15-I19 PolarHBondContact O-N 3.04Å
16E93.1Very high88.6Confident109 Ų109108.5 Ų108.551%0.50954%0.539SS..Hα-helixtrans-63.6-42.2173.4-78.2179.816800111.7L12 E13 I19 V20L12-E16 WeakPolarHBondContact O-CB 3.48Å; L12-E16 WeakPolarHBondContact O-CG 3.29Å; L12-E16 PolarHBondContact O-N 3.06Å; E13-E16 PolarHBondContact O-N 3.34Å; E16-I19 PolarHBondContact O-N 3.05Å; E16-V20 WeakPolarHBondContact O-CG2 3.4Å; E16-V20 PolarHBondContact O-N 3.37Å
17K92.4Very high88.3Confident155 Ų155106.6 Ų106.667%0.67453%0.53SS*.Hα-helixtrans-61.6-44.4172.7-77.3178.9180173.60112.2E13 E14 I19 V20 D21E13-K17 PolarHBondContact O-N 3.46Å; E14-K17 PolarHBondContact O-N 2.92Å; K17-I19 VanDerWaalsContact C-N 3.33Å; K17-I19 PolarHBondContact O-N 3.16Å; K17-V20 PolarHBondContact O-N 3.43Å; K17-V20 VanDerWaalsContact O-N 3.16Å; K17-D21 PolarHBondContact O-N 2.97Å
18E93.4Very high87.5Confident92 Ų92110.5 Ų110.543%0.4354%0.541SS..Hα-helixtrans-62.3-39.4178-164.6175.9-161.200111.9E14 K15 D21 L22E14-E18 PolarHBondContact O-N 3.35Å; K15-E18 WeakPolarHBondContact CD-OE2 3.29Å; K15-E18 IonicContact NZ-OE2 3.72Å; K15-E18 PolarHBondContact NZ-OE2 3.02Å; K15-E18 PolarHBondContact O-N 3.05Å; E18-D21 PolarHBondContact O-N 3.41Å; E18-L22 HydrophobicContact CG-CD1 4.35Å; E18-L22 WeakPolarHBondContact O-CB 3.25Å; E18-L22 VanDerWaalsContact O-CG 3.28Å; E18-L22 WeakPolarHBondContact O-CG 3.24Å; E18-L22 PolarHBondContact O-N 2.94Å
19I91.1Very high86.5Confident89 Ų89111 Ų11146%0.45654%0.544SS..Hα-helixtrans-63.7-40.6174.4-71.9166.2000111.2K15 E16 K17 L22 K23K15-I19 VanDerWaalsContact O-CG1 3.25Å; K15-I19 WeakPolarHBondContact O-CG1 3.46Å; K15-I19 PolarHBondContact O-N 3.04Å; E16-I19 PolarHBondContact O-N 3.05Å; K17-I19 VanDerWaalsContact C-N 3.33Å; K17-I19 PolarHBondContact O-N 3.16Å; I19-L22 PolarHBondContact O-N 3.48Å; I19-K23 HydrophobicContact CG2-CD 4.12Å; I19-K23 HydrophobicContact CG2-CG 4.45Å; I19-K23 WeakPolarHBondContact O-CB 3.39Å; I19-K23 VanDerWaalsContact O-CG 3.29Å; I19-K23 WeakPolarHBondContact O-CG 3.5Å; I19-K23 PolarHBondContact O-N 2.89Å
20V93.8Very high85.2Confident79 Ų79109.7 Ų109.748%0.47954%0.54SS..Hα-helixtrans-65.2-44.3177.5170.70000111E16 K17 L22 K23 N24E16-V20 WeakPolarHBondContact O-CG2 3.4Å; E16-V20 PolarHBondContact O-N 3.37Å; K17-V20 PolarHBondContact O-N 3.43Å; K17-V20 VanDerWaalsContact O-N 3.16Å; V20-L22 PolarHBondContact O-N 3.38Å; V20-K23 PolarHBondContact O-N 2.92Å; V20-N24 PolarHBondContact O-N 3.29Å; V20-N24 PolarHBondContact O-ND2 3.36Å
21D91.6Very high83.6Confident102 Ų102115.2 Ų115.255%0.54555%0.554SS.*Hα-helixtrans-64-40.4176.8-80.7-11000112.3K17 E18 N24 K25K17-D21 PolarHBondContact O-N 2.97Å; E18-D21 PolarHBondContact O-N 3.41Å; D21-N24 PolarHBondContact O-N 2.93Å; D21-K25 WeakPolarHBondContact O-CB 3.49Å; D21-K25 PolarHBondContact O-N 3.33Å
22L87.6Confident81.9Confident102 Ų102110.9 Ų110.953%0.53455%0.547SS..Hα-helixtrans-65.3-41.4174.7-74.8170.3000111.8E18 I19 V20 K25 L26E18-L22 HydrophobicContact CG-CD1 4.35Å; E18-L22 WeakPolarHBondContact O-CB 3.25Å; E18-L22 VanDerWaalsContact O-CG 3.28Å; E18-L22 WeakPolarHBondContact O-CG 3.24Å; E18-L22 PolarHBondContact O-N 2.94Å; I19-L22 PolarHBondContact O-N 3.48Å; V20-L22 PolarHBondContact O-N 3.38Å; L22-K25 PolarHBondContact O-N 3.4Å; L22-L26 WeakPolarHBondContact O-CB 3.34Å; L22-L26 PolarHBondContact O-N 3.41Å
23K88.5Confident79.8Confident141 Ų141109.6 Ų109.661%0.61354%0.538SS*.Hα-helixtrans-63.7-40.1175-78.5178.7178.1-178.10112.2I19 V20 L26 A27I19-K23 HydrophobicContact CG2-CD 4.12Å; I19-K23 HydrophobicContact CG2-CG 4.45Å; I19-K23 WeakPolarHBondContact O-CB 3.39Å; I19-K23 VanDerWaalsContact O-CG 3.29Å; I19-K23 WeakPolarHBondContact O-CG 3.5Å; I19-K23 PolarHBondContact O-N 2.89Å; V20-K23 PolarHBondContact O-N 2.92Å; K23-L26 WeakPolarHBondContact O-CB 3.45Å; K23-L26 PolarHBondContact O-N 3.32Å; K23-A27 WeakPolarHBondContact O-CB 3.28Å; K23-A27 PolarHBondContact O-N 2.86Å
24N84.5Confident77.5Confident96 Ų96106.6 Ų106.651%0.51353%0.534SS..Hα-helixtrans-66-43.6176.2-73-26000111.4V20 D21 L26 A27 Q28V20-N24 PolarHBondContact O-N 3.29Å; V20-N24 PolarHBondContact O-ND2 3.36Å; D21-N24 PolarHBondContact O-N 2.93Å; N24-L26 VanDerWaalsContact C-N 3.34Å; N24-A27 PolarHBondContact O-N 3.44Å; N24-Q28 WeakPolarHBondContact O-CB 3.38Å; N24-Q28 PolarHBondContact O-N 2.67Å
25K81.5Confident75.4Confident132 Ų132104 Ų10457%0.57453%0.531SS*.Hα-helixtrans-60.9-42.1171.8-83.2175.3177.3172.10112D21 L22 Q28 L29D21-K25 WeakPolarHBondContact O-CB 3.49Å; D21-K25 PolarHBondContact O-N 3.33Å; L22-K25 PolarHBondContact O-N 3.4Å; K25-Q28 PolarHBondContact O-N 2.93Å; K25-L29 WeakPolarHBondContact O-CB 3.25Å; K25-L29 VanDerWaalsContact O-CG 3.25Å; K25-L29 WeakPolarHBondContact O-CG 3.32Å; K25-L29 PolarHBondContact O-N 2.91Å
26L78Confident73.6Confident97 Ų9799.8 Ų99.851%0.50851%0.514SS..Hα-helixtrans-61.3-49.1177.2-157.298.3000110.5L22 K23 N24 Q28 L29 E30L22-L26 WeakPolarHBondContact O-CB 3.34Å; L22-L26 PolarHBondContact O-N 3.41Å; K23-L26 WeakPolarHBondContact O-CB 3.45Å; K23-L26 PolarHBondContact O-N 3.32Å; N24-L26 VanDerWaalsContact C-N 3.34Å; L26-Q28 VanDerWaalsContact C-N 3.3Å; L26-Q28 PolarHBondContact O-N 3.48Å; L26-L29 CarbonylContact O-C 3.58Å; L26-L29 PolarHBondContact O-N 3.38Å; L26-E30 WeakPolarHBondContact CD2-OE1 3.26Å; L26-E30 WeakPolarHBondContact O-CB 3.32Å; L26-E30 VanDerWaalsContact O-CG 3.26Å; L26-E30 WeakPolarHBondContact O-CG 3.33Å; L26-E30 PolarHBondContact O-N 3.5Å
27A74.8Confident71.6Confident48 Ų4898.6 Ų98.640%0.39751%0.511SS..Hα-helixtrans-63-35.7177.700000112.5K23 N24 K31K23-A27 WeakPolarHBondContact O-CB 3.28Å; K23-A27 PolarHBondContact O-N 2.86Å; N24-A27 PolarHBondContact O-N 3.44Å; A27-K31 VanDerWaalsContact O-CB 3.24Å; A27-K31 WeakPolarHBondContact O-CB 3.35Å; A27-K31 PolarHBondContact O-N 3.28Å
28Q69.6Low70.1Confident147 Ų14799.2 Ų99.269%0.68752%0.516SS*.Hα-helixtrans-71-39.5176.6-149.2173.113.700111.5N24 K25 L26 S32N24-Q28 WeakPolarHBondContact O-CB 3.38Å; N24-Q28 PolarHBondContact O-N 2.67Å; K25-Q28 PolarHBondContact O-N 2.93Å; L26-Q28 VanDerWaalsContact C-N 3.3Å; L26-Q28 PolarHBondContact O-N 3.48Å; Q28-S32 WeakPolarHBondContact O-CB 3.48Å; Q28-S32 PolarHBondContact O-N 3.14Å; Q28-S32 PolarHBondContact O-OG 3.46Å
29L63.3Low68.6Low112 Ų11297.2 Ų97.259%0.58651%0.508SS*.Hα-helixtrans-64.8-48.1172.2-75.3167.3000110.8K25 L26 K31 S32 H33K25-L29 WeakPolarHBondContact O-CB 3.25Å; K25-L29 VanDerWaalsContact O-CG 3.25Å; K25-L29 WeakPolarHBondContact O-CG 3.32Å; K25-L29 PolarHBondContact O-N 2.91Å; L26-L29 CarbonylContact O-C 3.58Å; L26-L29 PolarHBondContact O-N 3.38Å; L29-K31 VanDerWaalsContact C-N 3.32Å; L29-K31 PolarHBondContact O-N 2.78Å; L29-S32 WeakPolarHBondContact CA-OG 3.45Å; L29-S32 CarbonylContact O-C 3.57Å; L29-S32 PolarHBondContact O-N 2.81Å; L29-S32 VanDerWaalsContact O-N 3.14Å; L29-S32 PolarHBondContact O-OG 2.75Å; L29-H33 VanDerWaalsContact O-CB 3.26Å; L29-H33 WeakPolarHBondContact O-CB 3.26Å; L29-H33 PolarHBondContact O-N 3.21Å
30E60.8Low67.7Low115 Ų11595 Ų9554%0.53750%0.496SS..Hα-helixtrans-58.2-41.5175.7-75.8172.8167.600111.8L26 H33 A34L26-E30 WeakPolarHBondContact CD2-OE1 3.26Å; L26-E30 WeakPolarHBondContact O-CB 3.32Å; L26-E30 VanDerWaalsContact O-CG 3.26Å; L26-E30 WeakPolarHBondContact O-CG 3.33Å; L26-E30 PolarHBondContact O-N 3.5Å; E30-H33 PolarHBondContact O-N 2.85Å; E30-A34 VanDerWaalsContact O-CB 3.26Å; E30-A34 WeakPolarHBondContact O-CB 3.26Å; E30-A34 PolarHBondContact O-N 2.77Å
31K55.4Low66.4Low172 Ų17297 Ų9775%0.74850%0.504SS*.Hα-helixtrans-69.5-35177-156.9173.8-170.8178.10112.4A27 L29 S35A27-K31 VanDerWaalsContact O-CB 3.24Å; A27-K31 WeakPolarHBondContact O-CB 3.35Å; A27-K31 PolarHBondContact O-N 3.28Å; L29-K31 VanDerWaalsContact C-N 3.32Å; L29-K31 PolarHBondContact O-N 2.78Å; K31-S35 PolarHBondContact O-N 2.68Å
32S51.2Low65.4Low64 Ų64100 Ų10045%0.44851%0.512SS..Hα-helixtrans-70.2-3517275.40000112.2Q28 L29 S35Q28-S32 WeakPolarHBondContact O-CB 3.48Å; Q28-S32 PolarHBondContact O-N 3.14Å; Q28-S32 PolarHBondContact O-OG 3.46Å; L29-S32 WeakPolarHBondContact CA-OG 3.45Å; L29-S32 CarbonylContact O-C 3.57Å; L29-S32 PolarHBondContact O-N 2.81Å; L29-S32 VanDerWaalsContact O-N 3.14Å; L29-S32 PolarHBondContact O-OG 2.75Å; S32-S35 PolarHBondContact O-OG 2.71Å
33H48.2Very low64.8Low82 Ų8296 Ų9638%0.3849%0.492SS..Hα-helixtrans-71.1-41177.3-150.7-104.6000111.1L29 E30 S35 V36 L37 R143L29-H33 VanDerWaalsContact O-CB 3.26Å; L29-H33 WeakPolarHBondContact O-CB 3.26Å; L29-H33 PolarHBondContact O-N 3.21Å; E30-H33 PolarHBondContact O-N 2.85Å; H33-S35 PolarHBondContact O-N 2.99Å; H33-V36 PolarHBondContact O-N 3.43Å; H33-L37 HydrophobicContact CB-CD1 4.28Å; H33-L37 WeakPolarHBondContact ND1-CD1 3.43Å; H33-L37 WeakPolarHBondContact O-CB 3.5Å; H33-L37 WeakPolarHBondContact O-CD1 3.18Å; H33-L37 PolarHBondContact O-N 3.03Å; H33-R143 VanDerWaalsContact CE1-CZ 3.45Å; H33-R143 PolarHBondContact CE1-NH2 3.23Å; H33-R143 VanDerWaalsContact NE2-CZ 3.29Å; H33-R143 PolarHBondContact NE2-NH2 3.41Å
34A45.2Very low64.2Low61 Ų6192.4 Ų92.450%0.50448%0.482SS..Hα-helixtrans-58.4-33.6176.400000112.4E30 V36 L37E30-A34 VanDerWaalsContact O-CB 3.26Å; E30-A34 WeakPolarHBondContact O-CB 3.26Å; E30-A34 PolarHBondContact O-N 2.77Å; A34-V36 PolarHBondContact O-N 3.27Å; A34-V36 VanDerWaalsContact O-N 3.09Å; A34-L37 PolarHBondContact O-N 3.3Å
35S48.9Very low63.9Low75 Ų7593 Ų9352%0.52449%0.491SS..THydrogen-bonded Turntrans-69.8-0.7176.6780000115K31 S32 H33 K146K31-S35 PolarHBondContact O-N 2.68Å; S32-S35 PolarHBondContact O-OG 2.71Å; H33-S35 PolarHBondContact O-N 2.99Å; S35-K146 PolarHBondContact O-NZ 3.38Å; S35-K146 PolarHBondContact OG-NZ 2.89Å
36V51.8Low64Low25 Ų2588.4 Ų88.415%0.15247%0.473CS..THydrogen-bonded Turntrans-126.5-0.4-179.2-171.50000111.2H33 A34 E38 L139 A142 R143 K146H33-V36 PolarHBondContact O-N 3.43Å; A34-V36 PolarHBondContact O-N 3.27Å; A34-V36 VanDerWaalsContact O-N 3.09Å; V36-E38 PolarHBondContact O-N 3.27Å; V36-L139 HydrophobicContact CG1-CD1 4.29Å; V36-L139 WeakPolarHBondContact O-CD1 3.43Å; V36-A142 HydrophobicContact CG1-CB 4.45Å; V36-R143 HydrophobicContact CG1-CG 3.78Å; V36-K146 HydrophobicContact CG2-CD 3.44Å; V36-K146 VanDerWaalsContact CG2-CD 3.44Å; V36-K146 VanDerWaalsContact CG2-NZ 3.29Å
37L51.3Low64.1Low84 Ų8487.6 Ų87.644%0.4448%0.475SS..  trans-968.6-155.3-117.8162.9000116.1H33 A34H33-L37 HydrophobicContact CB-CD1 4.28Å; H33-L37 WeakPolarHBondContact ND1-CD1 3.43Å; H33-L37 WeakPolarHBondContact O-CB 3.5Å; H33-L37 WeakPolarHBondContact O-CD1 3.18Å; H33-L37 PolarHBondContact O-N 3.03Å; A34-L37 PolarHBondContact O-N 3.3Å
38E60.9Low64.3Low168 Ų16891 Ų9179%0.78549%0.493SS*.  trans-102.7100.8176.8-70.1-178.2-174.700110.2V36 Q40V36-E38 PolarHBondContact O-N 3.27Å; E38-Q40 PolarHBondContact O-N 3.1Å
39L63.4Low65Low51 Ų5186.2 Ų86.227%0.26747%0.472SS..  trans-67126162.2-73.5170.7000107.9D41 A136 L139 P156 H158L39-D41 PolarHBondContact O-N 2.77Å; L39-A136 HydrophobicContact CD1-CB 4.04Å; L39-A136 HydrophobicContact CD2-CB 4.48Å; L39-L139 HydrophobicContact CD2-CB 3.88Å; L39-L139 HydrophobicContact CD2-CD1 4.49Å; L39-P156 HydrophobicContact CD2-CB 3.94Å; L39-P156 HydrophobicContact CD2-CG 4.26Å; L39-H158 HydrophobicContact CB-CB 4.17Å; L39-H158 HydrophobicContact CD1-CB 3.87Å; L39-H158 HydrophobicContact CD2-CB 3.67Å; L39-H158 HydrophobicContact CG-CB 4.1Å
40Q72.1Confident65.6Low43 Ų4387 Ų8720%0.20148%0.482CS..  trans-80.1102.8173.2-69.2-172.99.200108.8E38 K42 T44 I155 P156 Y157 L159E38-Q40 PolarHBondContact O-N 3.1Å; Q40-K42 PolarHBondContact O-N 3.15Å; Q40-T44 VanDerWaalsContact CD-OG1 3.3Å; Q40-T44 PolarHBondContact OE1-OG1 3.45Å; Q40-I155 HydrophobicContact CG-CG2 4.43Å; Q40-P156 PolarHBondContact N-O 2.71Å; Q40-P156 VanDerWaalsContact N-O 3.15Å; Q40-Y157 HydrophobicContact CB-CD1 3.7Å; Q40-Y157 HydrophobicContact CB-CE1 3.93Å; Q40-Y157 HydrophobicContact CG-CE1 4.46Å; Q40-Y157 PolarHBondContact OE1-OH 2.89Å; Q40-L159 WeakPolarHBondContact O-CD2 3.43Å
41D65.5Low66.3Low120 Ų12085.2 Ų85.264%0.64249%0.487SS*.SBendtrans-74.7-11.5174.8-65.1-25.7000112.6L39L39-D41 PolarHBondContact O-N 2.77Å
42K70.1Confident67.4Low165 Ų16581 Ų8172%0.71747%0.468SS*.SBendtrans-139.3153.2178-66.2-175.3-178.2179.30110.1Q40 T44Q40-K42 PolarHBondContact O-N 3.15Å; K42-T44 PolarHBondContact O-N 3.3Å
43V75.4Confident68.6Low17 Ų1784.2 Ų84.210%0.10349%0.488CS..  trans-71.899.8175.7-1700000109.1N165 Q168 L169V43-N165 HydrophobicContact CG2-CB 3.83Å; V43-Q168 HydrophobicContact CB-CG 4.32Å; V43-Q168 HydrophobicContact CG1-CB 4.06Å; V43-Q168 HydrophobicContact CG1-CG 3.71Å; V43-Q168 PolarHBondContact O-NE2 3.49Å; V43-L169 HydrophobicContact CG1-CB 4Å; V43-L169 HydrophobicContact CG1-CD1 4.43Å; V43-L169 HydrophobicContact CG1-CG 4.39Å; V43-L169 HydrophobicContact CG2-CB 4.16Å; V43-L169 HydrophobicContact CG2-CD1 3.92Å
44T75.3Confident70.4Confident66 Ų6683.4 Ų83.441%0.40550%0.495SS..PPolyproline II helixtrans-91.2137.1170.8440000110.5Q40 K42 L46 Q172Q40-T44 VanDerWaalsContact CD-OG1 3.3Å; Q40-T44 PolarHBondContact OE1-OG1 3.45Å; K42-T44 PolarHBondContact O-N 3.3Å; T44-L46 PolarHBondContact O-N 3.09Å; T44-Q172 PolarHBondContact O-OE1 2.99Å
45P78.6Confident72.4Confident110 Ų11081.5 Ų81.571%0.71448%0.476SS*.PPolyproline II helixtrans-58.5126.6173.7-22.232.7000111.3Q172P45-Q172 VanDerWaalsContact CA-OE1 3.3Å
46L83.7Confident74.3Confident34 Ų3480.4 Ų80.418%0.17847%0.468CS..PPolyproline II helixtrans-86.1144.6178.6-61.1175.2000111.3T44 I155 Y173T44-L46 PolarHBondContact O-N 3.09Å; L46-I155 HydrophobicContact CD1-CD1 3.46Å; L46-I155 VanDerWaalsContact CD1-CD1 3.46Å; L46-I155 HydrophobicContact CD2-CD1 3.55Å; L46-I155 HydrophobicContact CG-CD1 4.11Å; L46-Y173 HydrophobicContact CD1-CE1 4.47Å; L46-Y173 HydrophobicContact CD1-CE2 4.2Å; L46-Y173 WeakPolarHBondContact CD1-OH 3.46Å
47S81.1Confident76Confident80 Ų8085.9 Ų85.956%0.55950%0.497SS*.PPolyproline II helixtrans-64.9141.1169.746.60000110.3R108S47-R108 VanDerWaalsContact O-CZ 3.25Å; S47-R108 PolarHBondContact O-NH1 3.37Å; S47-R108 PolarHBondContact O-NH2 3.45Å
48P78.9Confident77.8Confident119 Ų11988.8 Ų88.877%0.77351%0.508SS*.PPolyproline II helixtrans-56141.4174.5-24.533.6000111.5T50P48-T50 PolarHBondContact O-N 3.22Å
49L83.3Confident79.1Confident48 Ų4881.1 Ų81.125%0.25147%0.473SS..PPolyproline II helixtrans-63.6133.9171.4-80.8173.2000109.8A51 G82 R108 E153L49-A51 PolarHBondContact O-N 3.4Å; L49-G82 WeakPolarHBondContact CD1-O 3.32Å; L49-R108 HydrophobicContact CD1-CB 3.71Å; L49-R108 HydrophobicContact CD2-CB 4.09Å; L49-R108 HydrophobicContact CG-CB 4.19Å; L49-E153 WeakPolarHBondContact CD2-OE2 3.38Å
50T76.1Confident80.3Confident129 Ų12982.3 Ų82.379%0.79148%0.479SS*.  trans-81.3111.1174.1-55.20000108.5P48 K52P48-T50 PolarHBondContact O-N 3.22Å; T50-K52 PolarHBondContact O-N 3.5Å
51A75.8Confident81.2Confident77 Ų7787.4 Ų87.464%0.63650%0.504SS*.  trans-59.7125.8176.200000110.1L49L49-A51 PolarHBondContact O-N 3.4Å
52K79.1Confident82.4Confident82 Ų8287.6 Ų87.636%0.35750%0.496SS..  trans-73.2129.3175.7-68.5-176.5176.8-179.80109.2T50 A54 D59 L78T50-K52 PolarHBondContact O-N 3.5Å; K52-A54 VanDerWaalsContact C-N 3.3Å; K52-A54 PolarHBondContact O-N 2.85Å; K52-D59 IonicContact NZ-OD1 2.67Å; K52-D59 IonicContact NZ-OD2 3.65Å; K52-D59 PolarHBondContact NZ-OD2 2.77Å; K52-L78 HydrophobicContact CB-CD2 4.34Å
53P75.9Confident83.5Confident133 Ų13380.1 Ų80.186%0.86446%0.463SS*.SBendtrans-72.9-25.3177.228.5-33.8000112.4
54A85.2Confident84.3Confident64 Ų6481.8 Ų81.853%0.52948%0.475SS..SBendtrans-154.4160.3178.300000110.7K52K52-A54 VanDerWaalsContact C-N 3.3Å; K52-A54 PolarHBondContact O-N 2.85Å
55L87Confident85Confident22 Ų2289 Ų8912%0.11550%0.496CS..  trans-78.5137.7173.4-60176.9000110.1D59 I60 L67 V74 Q77 L78L55-D59 HydrophobicContact CB-CB 4.19Å; L55-D59 HydrophobicContact CD2-CB 4.35Å; L55-I60 HydrophobicContact CB-CD1 4.32Å; L55-I60 HydrophobicContact CB-CG1 3.78Å; L55-I60 HydrophobicContact CD1-CG1 4.4Å; L55-L67 HydrophobicContact CD1-CD1 4.04Å; L55-L67 HydrophobicContact CD1-CD2 3.69Å; L55-V74 HydrophobicContact CD1-CG1 4Å; L55-V74 HydrophobicContact CG-CG1 4.38Å; L55-Q77 HydrophobicContact CD1-CB 4.03Å; L55-Q77 HydrophobicContact CD1-CG 3.89Å; L55-Q77 HydrophobicContact CD2-CB 4.43Å; L55-Q77 HydrophobicContact CD2-CG 3.88Å; L55-L78 HydrophobicContact CD2-CD2 3.65Å; L55-L78 HydrophobicContact CD2-CG 4.22Å; L55-L78 HydrophobicContact CG-CD2 3.93Å; L55-L78 HydrophobicContact CG-CG 4.31Å
56S88.9Confident85.6Confident51 Ų5185.9 Ų85.936%0.35747%0.471SS..  trans-71.6163.1171.367.80000111.2E58 D59 I60S56-E58 PolarHBondContact O-N 2.78Å; S56-D59 PolarHBondContact N-OD2 3.37Å; S56-D59 PolarHBondContact O-N 3.5Å; S56-D59 VanDerWaalsContact O-N 3.15Å; S56-D59 WeakPolarHBondContact OG-CB 3.46Å; S56-D59 PolarHBondContact OG-N 3.45Å; S56-D59 VanDerWaalsContact OG-N 3.1Å; S56-D59 PolarHBondContact OG-OD2 2.84Å; S56-I60 WeakPolarHBondContact O-CG1 3.45Å; S56-I60 PolarHBondContact O-N 3.02Å
57N89Confident85.9Confident140 Ų14085.6 Ų85.675%0.74947%0.47SS*.Hα-helixtrans-58.8-34.7175.1-70.9-17.1000112.3I60 M61N57-I60 PolarHBondContact O-N 3.01Å; N57-M61 WeakPolarHBondContact O-CB 3.3Å; N57-M61 PolarHBondContact O-N 3.43Å
58E88.9Confident86.3Confident146 Ų14688.7 Ų88.768%0.68248%0.479SS*.Hα-helixtrans-68.6-43.5175.6-66.1-178-178.300111.7S56 I60 M61 R62S56-E58 PolarHBondContact O-N 2.78Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-I60 PolarHBondContact O-N 3.34Å; E58-M61 PolarHBondContact O-N 3.27Å; E58-R62 WeakPolarHBondContact O-CB 3.46Å; E58-R62 PolarHBondContact O-N 3.01Å
59D87.2Confident86.8Confident7 Ų787.2 Ų87.24%0.03746%0.464CS..Hα-helixtrans-61.2-43.3174.6-69.7-46.2000110.4K52 L55 S56 M61 R62 Y63K52-D59 IonicContact NZ-OD1 2.67Å; K52-D59 IonicContact NZ-OD2 3.65Å; K52-D59 PolarHBondContact NZ-OD2 2.77Å; L55-D59 HydrophobicContact CB-CB 4.19Å; L55-D59 HydrophobicContact CD2-CB 4.35Å; S56-D59 PolarHBondContact N-OD2 3.37Å; S56-D59 PolarHBondContact O-N 3.5Å; S56-D59 VanDerWaalsContact O-N 3.15Å; S56-D59 WeakPolarHBondContact OG-CB 3.46Å; S56-D59 PolarHBondContact OG-N 3.45Å; S56-D59 VanDerWaalsContact OG-N 3.1Å; S56-D59 PolarHBondContact OG-OD2 2.84Å; D59-M61 PolarHBondContact O-N 2.86Å; D59-R62 PolarHBondContact O-N 3.16Å; D59-Y63 HydrophobicContact CB-CD2 4.04Å; D59-Y63 HydrophobicContact CB-CE2 4.04Å; D59-Y63 VanDerWaalsContact O-CB 3.3Å; D59-Y63 WeakPolarHBondContact O-CB 3.38Å; D59-Y63 WeakPolarHBondContact O-CD2 3.04Å; D59-Y63 PolarHBondContact O-N 3.32Å
60I89.4Confident86.9Confident76 Ų7690.6 Ų90.639%0.3949%0.489SS..Hα-helixtrans-62.8-42.8177.4-66.9166.3000111.1L55 S56 N57 E58 S64 L67L55-I60 HydrophobicContact CB-CD1 4.32Å; L55-I60 HydrophobicContact CB-CG1 3.78Å; L55-I60 HydrophobicContact CD1-CG1 4.4Å; S56-I60 WeakPolarHBondContact O-CG1 3.45Å; S56-I60 PolarHBondContact O-N 3.02Å; N57-I60 PolarHBondContact O-N 3.01Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-I60 PolarHBondContact O-N 3.34Å; I60-S64 WeakPolarHBondContact O-CA 3.21Å; I60-S64 VanDerWaalsContact O-CB 3.3Å; I60-S64 WeakPolarHBondContact O-CB 3.5Å; I60-S64 PolarHBondContact O-N 3.48Å; I60-L67 HydrophobicContact CB-CD1 4.42Å; I60-L67 HydrophobicContact CG1-CD1 4.41Å; I60-L67 HydrophobicContact CG2-CD1 4.28Å
61M90.8Very high87.3Confident149 Ų14990.7 Ų90.773%0.73448%0.48SS*.Hα-helixtrans-62.9-50.3177.2-173-163.7-65.500111.1N57 E58 D59 Y63 S64N57-M61 WeakPolarHBondContact O-CB 3.3Å; N57-M61 PolarHBondContact O-N 3.43Å; E58-M61 PolarHBondContact O-N 3.27Å; D59-M61 PolarHBondContact O-N 2.86Å; M61-Y63 PolarHBondContact O-N 3.29Å; M61-S64 WeakPolarHBondContact O-CB 3.38Å; M61-S64 PolarHBondContact O-N 2.76Å; M61-S64 PolarHBondContact O-OG 2.85Å
62R91.6Very high87.8Confident125 Ų12588 Ų8847%0.47246%0.455SS..Hα-helixtrans-62-43.8-178.3-179.4172-77.81536.5112E58 D59 N149E58-R62 WeakPolarHBondContact O-CB 3.46Å; E58-R62 PolarHBondContact O-N 3.01Å; D59-R62 PolarHBondContact O-N 3.16Å; R62-N149 PolarHBondContact NH1-OD1 3.35Å
63Y92.8Very high88.2Confident7 Ų784.9 Ų84.93%0.02745%0.447CS..THydrogen-bonded Turntrans-98.211-175.5-53.5-47.4000113.3D59 M61 R65 Q66 L67 Q77 A103 G105 N149D59-Y63 HydrophobicContact CB-CD2 4.04Å; D59-Y63 HydrophobicContact CB-CE2 4.04Å; D59-Y63 VanDerWaalsContact O-CB 3.3Å; D59-Y63 WeakPolarHBondContact O-CB 3.38Å; D59-Y63 WeakPolarHBondContact O-CD2 3.04Å; D59-Y63 PolarHBondContact O-N 3.32Å; M61-Y63 PolarHBondContact O-N 3.29Å; Y63-R65 PolarHBondContact O-N 3.49Å; Y63-R65 VanDerWaalsContact O-N 3.1Å; Y63-Q66 HydrophobicContact CG-CG 4.48Å; Y63-Q66 WeakPolarHBondContact O-CG 3.2Å; Y63-Q66 PolarHBondContact O-N 2.89Å; Y63-L67 VanDerWaalsContact O-CG 3.26Å; Y63-L67 WeakPolarHBondContact O-CG 3.25Å; Y63-L67 PolarHBondContact O-N 3.41Å; Y63-Q77 HydrophobicContact CD2-CG 4.01Å; Y63-Q77 HydrophobicContact CG-CG 4.38Å; Y63-A103 WeakPolarHBondContact CE1-O 3.3Å; Y63-G105 VanDerWaalsContact OH-CA 3.23Å; Y63-G105 WeakPolarHBondContact OH-CA 3.18Å; Y63-N149 PolarHBondContact OH-ND2 3.28Å
64S90.9Very high88.9Confident52 Ų5282.5 Ų82.536%0.36443%0.43SS..Hα-helixtrans-48.6-44.6-175.651.90000113.3I60 M61 L67 L68I60-S64 WeakPolarHBondContact O-CA 3.21Å; I60-S64 VanDerWaalsContact O-CB 3.3Å; I60-S64 WeakPolarHBondContact O-CB 3.5Å; I60-S64 PolarHBondContact O-N 3.48Å; M61-S64 WeakPolarHBondContact O-CB 3.38Å; M61-S64 PolarHBondContact O-N 2.76Å; M61-S64 PolarHBondContact O-OG 2.85Å; S64-L67 PolarHBondContact O-N 2.92Å; S64-L68 WeakPolarHBondContact O-CG 3.4Å; S64-L68 PolarHBondContact O-N 3.3Å
65R90.8Very high89.2Confident219 Ų21987.2 Ų87.283%0.82644%0.438SS*.Hα-helixtrans-68.6-35.1-178.5-62.9-175.7-177-169.51113.8Y63Y63-R65 PolarHBondContact O-N 3.49Å; Y63-R65 VanDerWaalsContact O-N 3.1Å
66Q91.1Very high89.3Confident43 Ų4386.3 Ų86.320%0.20143%0.434CS..Hα-helixtrans-82.6-29.1178.761.3-170.53200111.9Y63 L68 L69 L72 Q77 A104Y63-Q66 HydrophobicContact CG-CG 4.48Å; Y63-Q66 WeakPolarHBondContact O-CG 3.2Å; Y63-Q66 PolarHBondContact O-N 2.89Å; Q66-L68 PolarHBondContact O-N 2.97Å; Q66-L69 WeakPolarHBondContact O-CB 3.25Å; Q66-L69 PolarHBondContact O-N 3.5Å; Q66-L72 HydrophobicContact CB-CD2 3.76Å; Q66-L72 HydrophobicContact CG-CD2 4.04Å; Q66-Q77 VanDerWaalsContact NE2-NE2 3.16Å; Q66-A104 PolarHBondContact NE2-O 3.49Å
67L89.8Confident89.5Confident28 Ų2883.9 Ų83.915%0.14742%0.417CS..Hα-helixtrans-64.3-26.1173.3-69.7173.9000113.4L55 I60 Y63 S64 L69 G73 V74 Q77L55-L67 HydrophobicContact CD1-CD1 4.04Å; L55-L67 HydrophobicContact CD1-CD2 3.69Å; I60-L67 HydrophobicContact CB-CD1 4.42Å; I60-L67 HydrophobicContact CG1-CD1 4.41Å; I60-L67 HydrophobicContact CG2-CD1 4.28Å; Y63-L67 VanDerWaalsContact O-CG 3.26Å; Y63-L67 WeakPolarHBondContact O-CG 3.25Å; Y63-L67 PolarHBondContact O-N 3.41Å; S64-L67 PolarHBondContact O-N 2.92Å; L67-L69 VanDerWaalsContact C-N 3.25Å; L67-L69 PolarHBondContact O-N 3.4Å; L67-G73 WeakPolarHBondContact CD2-O 3.13Å; L67-V74 HydrophobicContact CD2-CG2 4.25Å; L67-Q77 HydrophobicContact CD2-CB 3.58Å; L67-Q77 HydrophobicContact CD2-CG 4.01Å
68L90.4Very high89.6Confident145 Ų14579.2 Ų79.276%0.75939%0.392SS*.THydrogen-bonded Turntrans-73.1-15.7176.6-69.6171.7000113.4S64 Q66 P70S64-L68 WeakPolarHBondContact O-CG 3.4Å; S64-L68 PolarHBondContact O-N 3.3Å; Q66-L68 PolarHBondContact O-N 2.97Å; L68-P70 WeakPolarHBondContact O-CD 3.38Å
69L88.7Confident89.8Confident89 Ų8975.5 Ų75.547%0.46638%0.377SS..  trans-74120.4178.5-63.7172.5000109.7Q66 L67 E71 L72 G73Q66-L69 WeakPolarHBondContact O-CB 3.25Å; Q66-L69 PolarHBondContact O-N 3.5Å; L67-L69 VanDerWaalsContact C-N 3.25Å; L67-L69 PolarHBondContact O-N 3.4Å; L69-E71 PolarHBondContact O-N 3.44Å; L69-L72 HydrophobicContact CB-CB 4.26Å; L69-L72 PolarHBondContact O-N 3.27Å; L69-G73 PolarHBondContact O-N 2.87Å
70P84.9Confident90Very high118 Ų11875.3 Ų75.377%0.76638%0.376SS*.THydrogen-bonded Turntrans-56.8-32.3179.8-25.935000113.7L68 L72L68-P70 WeakPolarHBondContact O-CD 3.38Å; P70-L72 VanDerWaalsContact C-N 3.3Å; P70-L72 PolarHBondContact O-N 2.8Å
71E85Confident90.1Very high131 Ų13172.6 Ų72.661%0.61236%0.364SS*.THydrogen-bonded Turntrans-72.3-23.6-179.1-57.578.6-172.100112.8L69L69-E71 PolarHBondContact O-N 3.44Å
72L86.5Confident90.1Very high20 Ų2066.8 Ų66.811%0.10534%0.342CS..THydrogen-bonded Turntrans-104.1-64.1179.3-169.574.1000110.8Q66 L69 P70 G76 L80Q66-L72 HydrophobicContact CB-CD2 3.76Å; Q66-L72 HydrophobicContact CG-CD2 4.04Å; L69-L72 HydrophobicContact CB-CB 4.26Å; L69-L72 PolarHBondContact O-N 3.27Å; P70-L72 VanDerWaalsContact C-N 3.3Å; P70-L72 PolarHBondContact O-N 2.8Å; L72-G76 VanDerWaalsContact O-CA 3.22Å; L72-G76 WeakPolarHBondContact O-CA 3.49Å; L72-G76 PolarHBondContact O-N 3.15Å; L72-L80 HydrophobicContact CD1-CD1 4Å; L72-L80 HydrophobicContact CD2-CD1 4.4Å
73G88.3Confident90.2Very high18 Ų1861.2 Ų61.219%0.18632%0.322CS..Hα-helixtrans53-164.7-174.900000114L67 L69 K75 Q77L67-G73 WeakPolarHBondContact CD2-O 3.13Å; L69-G73 PolarHBondContact O-N 2.87Å; G73-K75 VanDerWaalsContact C-N 3.34Å; G73-Q77 PolarHBondContact O-N 2.82Å
74V90.3Very high90.4Very high83 Ų8361.1 Ų61.150%0.50332%0.323SS..Hα-helixtrans-65.6-38.5177.5179.50000111.6L55 L67 Q77 L78L55-V74 HydrophobicContact CD1-CG1 4Å; L55-V74 HydrophobicContact CG-CG1 4.38Å; L67-V74 HydrophobicContact CD2-CG2 4.25Å; V74-Q77 PolarHBondContact O-N 2.9Å; V74-L78 HydrophobicContact CG1-CD1 4.1Å; V74-L78 HydrophobicContact CG1-CG 4.42Å; V74-L78 WeakPolarHBondContact O-CG 3.23Å; V74-L78 PolarHBondContact O-N 2.92Å
75K90.1Very high90.6Very high162 Ų16258.7 Ų58.770%0.70431%0.306SS*.Hα-helixtrans-63.7-47.3-178.7-174.6-177.3177.6-174.30111.7G73 Q77 L78 N79G73-K75 VanDerWaalsContact C-N 3.34Å; K75-Q77 VanDerWaalsContact C-N 3.29Å; K75-Q77 PolarHBondContact O-N 2.96Å; K75-L78 PolarHBondContact O-N 3.23Å; K75-N79 VanDerWaalsContact O-CG 3.3Å; K75-N79 PolarHBondContact O-N 3.22Å; K75-N79 PolarHBondContact O-OD1 2.72Å
76G90.6Very high90.9Very high3 Ų348.2 Ų48.23%0.03127%0.266CS..Hα-helixtrans-61.5-39.9176.800000111.5L72 N79 L80L72-G76 VanDerWaalsContact O-CA 3.22Å; L72-G76 WeakPolarHBondContact O-CA 3.49Å; L72-G76 PolarHBondContact O-N 3.15Å; G76-N79 WeakPolarHBondContact O-CB 3.37Å; G76-N79 PolarHBondContact O-N 2.98Å; G76-L80 WeakPolarHBondContact O-CG 3.43Å; G76-L80 PolarHBondContact O-N 3.28Å
77Q92.3Very high91.1Very high1 Ų146.2 Ų46.21%0.00526%0.257CS..Hα-helixtrans-64.6-40.6176.2-167.760.335.500113.5L55 Y63 Q66 L67 G73 V74 K75 N79 L80 S81 A104L55-Q77 HydrophobicContact CD1-CB 4.03Å; L55-Q77 HydrophobicContact CD1-CG 3.89Å; L55-Q77 HydrophobicContact CD2-CB 4.43Å; L55-Q77 HydrophobicContact CD2-CG 3.88Å; Y63-Q77 HydrophobicContact CD2-CG 4.01Å; Y63-Q77 HydrophobicContact CG-CG 4.38Å; Q66-Q77 VanDerWaalsContact NE2-NE2 3.16Å; L67-Q77 HydrophobicContact CD2-CB 3.58Å; L67-Q77 HydrophobicContact CD2-CG 4.01Å; G73-Q77 PolarHBondContact O-N 2.82Å; V74-Q77 PolarHBondContact O-N 2.9Å; K75-Q77 VanDerWaalsContact C-N 3.29Å; K75-Q77 PolarHBondContact O-N 2.96Å; Q77-N79 VanDerWaalsContact C-N 3.33Å; Q77-L80 PolarHBondContact O-N 3.14Å; Q77-S81 PolarHBondContact O-N 2.97Å; Q77-A104 PolarHBondContact NE2-O 2.9Å
78L91.6Very high91.3Very high42 Ų4245.2 Ų45.222%0.2225%0.252CS..Hα-helixtrans-62.9-42.9174.9-71.8170.9000110.8K52 L55 V74 K75 L80 S81 G82K52-L78 HydrophobicContact CB-CD2 4.34Å; L55-L78 HydrophobicContact CD2-CD2 3.65Å; L55-L78 HydrophobicContact CD2-CG 4.22Å; L55-L78 HydrophobicContact CG-CD2 3.93Å; L55-L78 HydrophobicContact CG-CG 4.31Å; V74-L78 HydrophobicContact CG1-CD1 4.1Å; V74-L78 HydrophobicContact CG1-CG 4.42Å; V74-L78 WeakPolarHBondContact O-CG 3.23Å; V74-L78 PolarHBondContact O-N 2.92Å; K75-L78 PolarHBondContact O-N 3.23Å; L78-L80 PolarHBondContact O-N 3.4Å; L78-S81 PolarHBondContact O-N 3.34Å; L78-S81 PolarHBondContact O-OG 3.43Å; L78-G82 PolarHBondContact O-N 3.01Å; L78-G82 VanDerWaalsContact O-N 3.08Å
79N91.9Very high91.4Very high68 Ų6839 Ų3936%0.36422%0.222SC..Hα-helixtrans-59.6-45.4174.5-67.1-12.3000111.6K75 G76 Q77 S81 G82 A83 A266 S267K75-N79 VanDerWaalsContact O-CG 3.3Å; K75-N79 PolarHBondContact O-N 3.22Å; K75-N79 PolarHBondContact O-OD1 2.72Å; G76-N79 WeakPolarHBondContact O-CB 3.37Å; G76-N79 PolarHBondContact O-N 2.98Å; Q77-N79 VanDerWaalsContact C-N 3.33Å; N79-S81 VanDerWaalsContact C-N 3.32Å; N79-S81 PolarHBondContact O-N 3.31Å; N79-G82 CarbonylContact O-C 3.57Å; N79-G82 PolarHBondContact O-N 2.87Å; N79-G82 VanDerWaalsContact O-N 3.11Å; N79-A83 WeakPolarHBondContact O-CB 3.36Å; N79-A83 PolarHBondContact O-N 2.99Å; N79-A266 WeakPolarHBondContact CB-O 3.39Å; N79-S267 PolarHBondContact ND2-O 3.29Å; N79-S267 VanDerWaalsContact ND2-O 3.1Å
80L92.5Very high91.6Very high3 Ų334.9 Ų34.92%0.01620%0.201CC..Hα-helixtrans-57.2-46175.2-70.2177.6000111.4L72 G76 Q77 L78 G82 A83 V106 G107 L263 A266L72-L80 HydrophobicContact CD1-CD1 4Å; L72-L80 HydrophobicContact CD2-CD1 4.4Å; G76-L80 WeakPolarHBondContact O-CG 3.43Å; G76-L80 PolarHBondContact O-N 3.28Å; Q77-L80 PolarHBondContact O-N 3.14Å; L78-L80 PolarHBondContact O-N 3.4Å; L80-G82 PolarHBondContact O-N 3.1Å; L80-A83 PolarHBondContact O-N 3.24Å; L80-A83 VanDerWaalsContact O-N 3.1Å; L80-V106 HydrophobicContact CD2-CG2 4.49Å; L80-V106 CarbonylContact O-C 3.58Å; L80-V106 WeakPolarHBondContact O-CA 3.23Å; L80-G107 PolarHBondContact O-N 3.3Å; L80-L263 HydrophobicContact CD1-CD2 4.34Å; L80-L263 HydrophobicContact CD2-CD2 3.73Å; L80-A266 HydrophobicContact CD2-CB 3.58Å
81S91.6Very high91.7Very high19 Ų1929.8 Ų29.813%0.13317%0.171CC..Hα-helixtrans-66.1-21.6179.575.30000114.1Q77 L78 N79 G107Q77-S81 PolarHBondContact O-N 2.97Å; L78-S81 PolarHBondContact O-N 3.34Å; L78-S81 PolarHBondContact O-OG 3.43Å; N79-S81 VanDerWaalsContact C-N 3.32Å; N79-S81 PolarHBondContact O-N 3.31Å; S81-G107 WeakPolarHBondContact O-CA 3.49Å
82G91.3Very high91.8Very high26 Ų2624 Ų2427%0.26815%0.146SC..Hα-helixtrans-94.1-10.2174.500000114.1L49 L78 N79 L80L49-G82 WeakPolarHBondContact CD1-O 3.32Å; L78-G82 PolarHBondContact O-N 3.01Å; L78-G82 VanDerWaalsContact O-N 3.08Å; N79-G82 CarbonylContact O-C 3.57Å; N79-G82 PolarHBondContact O-N 2.87Å; N79-G82 VanDerWaalsContact O-N 3.11Å; L80-G82 PolarHBondContact O-N 3.1Å
83A93.9Very high91.9Very high8 Ų823.7 Ų23.77%0.06614%0.144CC..  trans-83.2146.4-176.800000112.1N79 L80 V106 G107 R108 A266N79-A83 WeakPolarHBondContact O-CB 3.36Å; N79-A83 PolarHBondContact O-N 2.99Å; L80-A83 PolarHBondContact O-N 3.24Å; L80-A83 VanDerWaalsContact O-N 3.1Å; A83-V106 WeakPolarHBondContact O-CG1 3.47Å; A83-G107 PolarHBondContact O-N 3.13Å; A83-R108 PolarHBondContact O-N 3.35Å; A83-R108 VanDerWaalsContact O-N 3.14Å; A83-A266 HydrophobicContact CB-CB 3.9Å
84S95.1Very high92.1Very high6 Ų622.9 Ų22.94%0.04214%0.136CC..EExtended strand (participates in β ladder)trans-118128.9173.960.70000111R108 Y173 D174 I175S84-R108 WeakPolarHBondContact CA-O 3.44Å; S84-Y173 WeakPolarHBondContact OG-CA 3.39Å; S84-D174 PolarHBondContact N-OD2 3.11Å; S84-D174 WeakPolarHBondContact O-CB 3.17Å; S84-D174 PolarHBondContact O-N 3.48Å; S84-D174 VanDerWaalsContact OG-CG 3.22Å; S84-D174 PolarHBondContact OG-N 3.08Å; S84-D174 PolarHBondContact OG-OD2 3.47Å; S84-I175 PolarHBondContact O-N 2.97Å; S84-I175 VanDerWaalsContact O-N 3.15Å
85V96.4Very high92.2Very high0 Ų018.9 Ų18.90%011%0.112CC..EExtended strand (participates in β ladder)trans-122.7129.8-178.7-175.90000110.3I87 L101 V106 R108 L109 G110 I175 V262V85-I87 HydrophobicContact CG1-CG1 4.46Å; V85-L101 HydrophobicContact CB-CD1 4.21Å; V85-L101 HydrophobicContact CG1-CD1 3.82Å; V85-L101 HydrophobicContact CG2-CD1 4.37Å; V85-V106 HydrophobicContact CB-CG1 4.49Å; V85-V106 HydrophobicContact CG2-CG1 3.85Å; V85-R108 PolarHBondContact N-O 3.32Å; V85-L109 HydrophobicContact CB-CD2 3.98Å; V85-L109 CarbonylContact O-C 3.56Å; V85-L109 WeakPolarHBondContact O-CA 3.26Å; V85-G110 PolarHBondContact O-N 3.01Å; V85-I175 WeakPolarHBondContact CA-O 3.47Å; V85-I175 HydrophobicContact CG2-CB 4.33Å; V85-I175 HydrophobicContact CG2-CD1 4.5Å; V85-V262 HydrophobicContact CB-CG1 4.47Å; V85-V262 HydrophobicContact CG1-CG1 3.93Å; V85-V262 HydrophobicContact CG2-CG1 3.67Å
86L96.4Very high92.3Very high0 Ų011.5 Ų11.50%08%0.08CC..EExtended strand (participates in β ladder)trans-95.7127.3169.9176.565.1000110.4V88 L112 L169 I170 Y173 I175 V176 A177L86-V88 HydrophobicContact CD2-CG2 3.99Å; L86-V88 HydrophobicContact CG-CG2 4.08Å; L86-L112 HydrophobicContact CD1-CB 4.35Å; L86-L169 HydrophobicContact CD1-CD2 3.36Å; L86-L169 HydrophobicContact CD2-CD2 3.24Å; L86-L169 HydrophobicContact CG-CD2 3.9Å; L86-I170 HydrophobicContact CD2-CG1 3.79Å; L86-Y173 HydrophobicContact CB-CD1 4.09Å; L86-Y173 HydrophobicContact CB-CD2 3.81Å; L86-Y173 HydrophobicContact CB-CE2 4.38Å; L86-Y173 HydrophobicContact CB-CG 3.67Å; L86-Y173 HydrophobicContact CD1-CD2 4.28Å; L86-Y173 HydrophobicContact CD1-CE2 4.08Å; L86-Y173 HydrophobicContact CD2-CD2 4.46Å; L86-Y173 HydrophobicContact CG-CD2 4.41Å; L86-I175 PolarHBondContact N-O 3.28Å; L86-V176 HydrophobicContact CB-CG2 4.36Å; L86-V176 HydrophobicContact CD2-CG1 4.08Å; L86-V176 HydrophobicContact CD2-CG2 4.26Å; L86-A177 PolarHBondContact O-N 3.01Å
87I96.1Very high92.5Very high1 Ų111.3 Ų11.31%0.0058%0.079CC..EExtended strand (participates in β ladder)trans-107.5113.1173.9-57.2178.6000108.5V85 L97 A98 L101 G110 L111 L112V85-I87 HydrophobicContact CG1-CG1 4.46Å; I87-L97 HydrophobicContact CB-CD2 4.49Å; I87-L97 HydrophobicContact CD1-CD2 3.99Å; I87-L97 HydrophobicContact CD1-CG 3.93Å; I87-L97 HydrophobicContact CG1-CD2 3.86Å; I87-L97 HydrophobicContact CG1-CG 4.32Å; I87-L97 HydrophobicContact CG2-CD2 4.02Å; I87-A98 HydrophobicContact CD1-CB 3.7Å; I87-L101 HydrophobicContact CD1-CD1 4.26Å; I87-G110 PolarHBondContact N-O 3.45Å; I87-L111 HydrophobicContact CB-CD2 4.27Å; I87-L111 HydrophobicContact CD1-CD2 3.85Å; I87-L111 HydrophobicContact CG1-CD2 4.44Å; I87-L112 PolarHBondContact O-N 3.26Å
88V94.3Very high92.6Very high6 Ų611.3 Ų11.34%0.0368%0.079CC..EExtended strand (participates in β ladder)trans-93.9101177.3-177.40000108.9L86 L112 L161 V176 A177 C179 S180 T185 V189L86-V88 HydrophobicContact CD2-CG2 3.99Å; L86-V88 HydrophobicContact CG-CG2 4.08Å; V88-L112 HydrophobicContact CG1-CD2 4.27Å; V88-L112 HydrophobicContact CG2-CD2 4.33Å; V88-L161 HydrophobicContact CG1-CD2 4.19Å; V88-V176 HydrophobicContact CG2-CG1 4.15Å; V88-A177 PolarHBondContact N-O 3.48Å; V88-C179 CarbonylContact O-C 3.54Å; V88-C179 VanDerWaalsContact O-C 3.29Å; V88-C179 VanDerWaalsContact O-CA 3.29Å; V88-C179 WeakPolarHBondContact O-CA 3.48Å; V88-C179 VanDerWaalsContact O-CB 3.31Å; V88-C179 WeakPolarHBondContact O-CB 3.37Å; V88-C179 PolarHBondContact O-N 2.99Å; V88-S180 PolarHBondContact O-N 3.07Å; V88-T185 HydrophobicContact CG1-CG2 3.94Å; V88-V189 HydrophobicContact CB-CG2 4.45Å; V88-V189 HydrophobicContact CG1-CG2 4.05Å; V88-V189 HydrophobicContact CG2-CG2 4.19Å
89G92.2Very high92.8Very high14 Ų1412 Ų1214%0.1448%0.081CC..  trans99.7114.7-17600000112.2G91 G94 L112 C179G89-G91 VanDerWaalsContact C-N 3.26Å; G89-G91 PolarHBondContact O-N 2.87Å; G89-G94 WeakPolarHBondContact O-CA 3.27Å; G89-L112 WeakPolarHBondContact CA-O 3.13Å; G89-L112 PolarHBondContact N-O 2.98Å; G89-C179 WeakPolarHBondContact O-CB 3.36Å
90C91.3Very high92.9Very high3 Ų314.9 Ų14.92%0.029%0.087CC..  trans-93.430.5175.2-64.30000111.8C95 D113 H128 K137 A141C90-C95 PolarHBondContact O-SG 2.69Å; C90-D113 WeakPolarHBondContact CA-OD2 3.49Å; C90-D113 HydrophobicContact CB-CB 3.87Å; C90-D113 WeakPolarHBondContact CB-OD2 3.4Å; C90-D113 PolarHBondContact N-OD2 2.9Å; C90-H128 PolarHBondContact O-NE2 2.91Å; C90-K137 HydrophobicContact CB-CB 4.12Å; C90-A141 HydrophobicContact CB-CB 4.26Å
91G88.7Confident93.1Very high12 Ų1214.7 Ų14.712%0.1249%0.087CC..SBendtrans-81.8-151.2179.300000114.1G89 L93 G94 C95G89-G91 VanDerWaalsContact C-N 3.26Å; G89-G91 PolarHBondContact O-N 2.87Å; G91-L93 VanDerWaalsContact C-N 3.26Å; G91-L93 PolarHBondContact O-N 3.23Å; G91-G94 PolarHBondContact O-N 3.48Å; G91-C95 VanDerWaalsContact O-CB 3.29Å; G91-C95 WeakPolarHBondContact O-CB 3.38Å; G91-C95 PolarHBondContact O-N 3.26Å; G91-C95 PolarHBondContact O-SG 3.37Å
92G86.8Confident93.2Very high9 Ų913.8 Ų13.89%0.0938%0.08CC..THydrogen-bonded Turntrans-64.8-26.3-175.900000114.6P96 R124G92-P96 WeakPolarHBondContact O-CD 3.2Å; G92-R124 WeakPolarHBondContact CA-O 3.28Å
93L88.8Confident93.3Very high13 Ų1314.7 Ų14.77%0.0689%0.085CC..THydrogen-bonded Turntrans-84.8-44174.2-67.8165.5000111.7G91 C95 P96 L97 C179 A203 A205 P251 M254G91-L93 VanDerWaalsContact C-N 3.26Å; G91-L93 PolarHBondContact O-N 3.23Å; L93-C95 PolarHBondContact O-N 3.39Å; L93-P96 VanDerWaalsContact O-CD 3.28Å; L93-P96 WeakPolarHBondContact O-CD 3.43Å; L93-P96 VanDerWaalsContact O-CG 3.27Å; L93-P96 WeakPolarHBondContact O-CG 3.37Å; L93-L97 WeakPolarHBondContact O-CB 3.49Å; L93-L97 PolarHBondContact O-N 3.36Å; L93-C179 HydrophobicContact CB-CB 3.85Å; L93-A203 WeakPolarHBondContact CD1-O 3.37Å; L93-A203 HydrophobicContact CD2-CB 4.38Å; L93-A205 HydrophobicContact CD2-CB 4.48Å; L93-P251 HydrophobicContact CD2-CB 4.26Å; L93-P251 WeakPolarHBondContact CD2-O 3.27Å; L93-P251 HydrophobicContact CG-CB 4.37Å; L93-M254 HydrophobicContact CD2-CB 3.62Å
94G91.4Very high93.3Very high1 Ų114.7 Ų14.71%0.019%0.085CC..Hα-helixtrans-70-31.1-177.800000113.8G89 G91 L97 A98G89-G94 WeakPolarHBondContact O-CA 3.27Å; G91-G94 PolarHBondContact O-N 3.48Å; G94-L97 PolarHBondContact O-N 3.36Å; G94-A98 WeakPolarHBondContact O-CB 3.3Å; G94-A98 PolarHBondContact O-N 3.34Å
95C92.5Very high93.1Very high0 Ų014.6 Ų14.60%09%0.085CC..Hα-helixtrans-54.4-62.5176.9-79.30000113.1C90 G91 L93 L97 Q99 Q125 L127C90-C95 PolarHBondContact O-SG 2.69Å; G91-C95 VanDerWaalsContact O-CB 3.29Å; G91-C95 WeakPolarHBondContact O-CB 3.38Å; G91-C95 PolarHBondContact O-N 3.26Å; G91-C95 PolarHBondContact O-SG 3.37Å; L93-C95 PolarHBondContact O-N 3.39Å; C95-L97 VanDerWaalsContact C-N 3.31Å; C95-L97 PolarHBondContact O-N 2.99Å; C95-Q99 WeakPolarHBondContact O-CG 3.38Å; C95-Q99 PolarHBondContact O-N 3.12Å; C95-Q125 VanDerWaalsContact SG-CA 3.59Å; C95-L127 HydrophobicContact CB-CB 3.69Å; C95-L127 WeakPolarHBondContact SG-CB 3.25Å
96P92.9Very high93Very high6 Ų614.6 Ų14.64%0.0399%0.085CC..Hα-helixtrans-63.6-37.9177.828.1-38.2000111.5G92 L93 A98 Q99 Y100G92-P96 WeakPolarHBondContact O-CD 3.2Å; L93-P96 VanDerWaalsContact O-CD 3.28Å; L93-P96 WeakPolarHBondContact O-CD 3.43Å; L93-P96 VanDerWaalsContact O-CG 3.27Å; L93-P96 WeakPolarHBondContact O-CG 3.37Å; P96-A98 PolarHBondContact O-N 3.04Å; P96-Q99 PolarHBondContact O-N 3.16Å; P96-Y100 HydrophobicContact CB-CD2 4.42Å; P96-Y100 HydrophobicContact CB-CE2 4.45Å; P96-Y100 WeakPolarHBondContact O-CD2 3.47Å; P96-Y100 PolarHBondContact O-N 3.3Å
97L94.5Very high92.8Very high0 Ų015 Ų150%09%0.09CC..Hα-helixtrans-54.9-54.1178.3175.764.5000111.6I87 L93 G94 C95 Q99 Y100 L101 A177 C179 Q258 A259 V262I87-L97 HydrophobicContact CB-CD2 4.49Å; I87-L97 HydrophobicContact CD1-CD2 3.99Å; I87-L97 HydrophobicContact CD1-CG 3.93Å; I87-L97 HydrophobicContact CG1-CD2 3.86Å; I87-L97 HydrophobicContact CG1-CG 4.32Å; I87-L97 HydrophobicContact CG2-CD2 4.02Å; L93-L97 WeakPolarHBondContact O-CB 3.49Å; L93-L97 PolarHBondContact O-N 3.36Å; G94-L97 PolarHBondContact O-N 3.36Å; C95-L97 VanDerWaalsContact C-N 3.31Å; C95-L97 PolarHBondContact O-N 2.99Å; L97-Q99 VanDerWaalsContact C-N 3.3Å; L97-Q99 PolarHBondContact O-N 3.36Å; L97-Y100 PolarHBondContact O-N 3.21Å; L97-L101 HydrophobicContact CD1-CD1 3.69Å; L97-L101 HydrophobicContact CD1-CD2 4.46Å; L97-L101 HydrophobicContact CD1-CG 3.93Å; L97-L101 HydrophobicContact CG-CD1 3.95Å; L97-L101 HydrophobicContact CG-CG 4.44Å; L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 VanDerWaalsContact O-CG 3.27Å; L97-L101 WeakPolarHBondContact O-CG 3.45Å; L97-L101 PolarHBondContact O-N 3.09Å; L97-A177 HydrophobicContact CD2-CB 3.4Å; L97-A177 VanDerWaalsContact CD2-CB 3.4Å; L97-C179 WeakPolarHBondContact CD2-SG 3.4Å; L97-Q258 HydrophobicContact CD1-CB 4.37Å; L97-Q258 HydrophobicContact CD1-CG 4.25Å; L97-Q258 HydrophobicContact CD2-CG 4.25Å; L97-A259 HydrophobicContact CD1-CB 3.59Å; L97-V262 HydrophobicContact CD1-CG2 4.36Å
98A95.3Very high92.7Very high1 Ų115.4 Ų15.41%0.0089%0.091CC..Hα-helixtrans-60.1-39.8179.600000112.1I87 G94 P96 A102 L111 L127 V145I87-A98 HydrophobicContact CD1-CB 3.7Å; G94-A98 WeakPolarHBondContact O-CB 3.3Å; G94-A98 PolarHBondContact O-N 3.34Å; P96-A98 PolarHBondContact O-N 3.04Å; A98-A102 WeakPolarHBondContact O-CB 3.35Å; A98-A102 PolarHBondContact O-N 3.23Å; A98-L111 HydrophobicContact CB-CD2 4.05Å; A98-L127 HydrophobicContact CB-CD2 4.18Å; A98-V145 HydrophobicContact CB-CG2 4Å
99Q94.4Very high92.8Very high57 Ų5715.1 Ų15.127%0.2669%0.089SC..Hα-helixtrans-61.8-50178-68.1176.837.100112C95 P96 L97 A102 A103 L127 L148C95-Q99 WeakPolarHBondContact O-CG 3.38Å; C95-Q99 PolarHBondContact O-N 3.12Å; P96-Q99 PolarHBondContact O-N 3.16Å; L97-Q99 VanDerWaalsContact C-N 3.3Å; L97-Q99 PolarHBondContact O-N 3.36Å; Q99-A102 PolarHBondContact O-N 3.3Å; Q99-A103 WeakPolarHBondContact O-CB 3.47Å; Q99-A103 PolarHBondContact O-N 3Å; Q99-L127 HydrophobicContact CG-CD1 3.5Å; Q99-L148 HydrophobicContact CB-CD2 4.4Å; Q99-L148 VanDerWaalsContact O-CD2 3.3Å; Q99-L148 WeakPolarHBondContact O-CD2 3.41Å
100Y95.4Very high92.9Very high127 Ų12714.5 Ų14.550%0.4988%0.083SC..Hα-helixtrans-71.1-38.4-176.4-78-71.5000112.3P96 L97 A102 A103 A104 C256P96-Y100 HydrophobicContact CB-CD2 4.42Å; P96-Y100 HydrophobicContact CB-CE2 4.45Å; P96-Y100 WeakPolarHBondContact O-CD2 3.47Å; P96-Y100 PolarHBondContact O-N 3.3Å; L97-Y100 PolarHBondContact O-N 3.21Å; Y100-A102 VanDerWaalsContact C-N 3.34Å; Y100-A103 PolarHBondContact O-N 3.36Å; Y100-A104 VanDerWaalsContact O-CB 3.25Å; Y100-A104 WeakPolarHBondContact O-CB 3.47Å; Y100-A104 PolarHBondContact O-N 2.92Å; Y100-C256 HydrophobicContact CE2-CB 4.42Å; Y100-C256 WeakPolarHBondContact CE2-SG 3.42Å
101L95.4Very high93.1Very high0 Ų014.3 Ų14.30%08%0.082CC..Hα-helixtrans-64.4-40.3174.9-65.7-177.7000111.9V85 I87 L97 A104 G105 V106 L109 A259 V262 L263V85-L101 HydrophobicContact CB-CD1 4.21Å; V85-L101 HydrophobicContact CG1-CD1 3.82Å; V85-L101 HydrophobicContact CG2-CD1 4.37Å; I87-L101 HydrophobicContact CD1-CD1 4.26Å; L97-L101 HydrophobicContact CD1-CD1 3.69Å; L97-L101 HydrophobicContact CD1-CD2 4.46Å; L97-L101 HydrophobicContact CD1-CG 3.93Å; L97-L101 HydrophobicContact CG-CD1 3.95Å; L97-L101 HydrophobicContact CG-CG 4.44Å; L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 VanDerWaalsContact O-CG 3.27Å; L97-L101 WeakPolarHBondContact O-CG 3.45Å; L97-L101 PolarHBondContact O-N 3.09Å; L101-A104 PolarHBondContact O-N 2.88Å; L101-G105 PolarHBondContact O-N 3.43Å; L101-V106 HydrophobicContact CB-CB 4.43Å; L101-V106 HydrophobicContact CB-CG2 3.94Å; L101-V106 HydrophobicContact CD2-CG2 4.06Å; L101-V106 WeakPolarHBondContact O-CG2 3.2Å; L101-V106 PolarHBondContact O-N 2.97Å; L101-V106 VanDerWaalsContact O-N 3.12Å; L101-L109 HydrophobicContact CB-CD1 4.26Å; L101-L109 HydrophobicContact CB-CD2 3.89Å; L101-L109 HydrophobicContact CD1-CD2 3.98Å; L101-A259 HydrophobicContact CD2-CB 4.47Å; L101-V262 HydrophobicContact CD1-CG1 3.94Å; L101-V262 HydrophobicContact CD2-CB 3.98Å; L101-V262 HydrophobicContact CD2-CG1 3.6Å; L101-V262 HydrophobicContact CG-CG1 4.44Å; L101-L263 HydrophobicContact CD2-CD2 3.66Å; L101-L263 HydrophobicContact CD2-CG 3.74Å
102A94.3Very high93.3Very high0 Ų014 Ų140%08%0.077CC..Hα-helixtrans-66.6-45.4175.800000112.6A98 Q99 Y100 A104 G105 L109 V145 L148 N149A98-A102 WeakPolarHBondContact O-CB 3.35Å; A98-A102 PolarHBondContact O-N 3.23Å; Q99-A102 PolarHBondContact O-N 3.3Å; Y100-A102 VanDerWaalsContact C-N 3.34Å; A102-A104 VanDerWaalsContact C-N 3.27Å; A102-A104 PolarHBondContact O-N 3.49Å; A102-G105 PolarHBondContact O-N 2.91Å; A102-G105 VanDerWaalsContact O-N 3.09Å; A102-L109 HydrophobicContact CB-CD1 4.02Å; A102-V145 HydrophobicContact CB-CB 4.41Å; A102-V145 HydrophobicContact CB-CG1 3.4Å; A102-V145 HydrophobicContact CB-CG2 4.41Å; A102-L148 HydrophobicContact CB-CD2 4.29Å; A102-N149 WeakPolarHBondContact O-CB 3.32Å; A102-N149 PolarHBondContact O-ND2 3.21Å
103A93.4Very high93.5Very high45 Ų4514 Ų1437%0.3728%0.075SC..Hα-helixtrans-61.3-36.1175.900000112.4Y63 Q99 Y100 G105 L148Y63-A103 WeakPolarHBondContact CE1-O 3.3Å; Q99-A103 WeakPolarHBondContact O-CB 3.47Å; Q99-A103 PolarHBondContact O-N 3Å; Y100-A103 PolarHBondContact O-N 3.36Å; A103-G105 PolarHBondContact O-N 3.02Å; A103-L148 HydrophobicContact CB-CD2 4.1Å
104A93.3Very high93.6Very high7 Ų715.6 Ų15.66%0.0588%0.08CC..Hα-helixtrans-72.8-15.9176.800000113.4Q66 Q77 Y100 L101 A102 L263Q66-A104 PolarHBondContact NE2-O 3.49Å; Q77-A104 PolarHBondContact NE2-O 2.9Å; Y100-A104 VanDerWaalsContact O-CB 3.25Å; Y100-A104 WeakPolarHBondContact O-CB 3.47Å; Y100-A104 PolarHBondContact O-N 2.92Å; L101-A104 PolarHBondContact O-N 2.88Å; A102-A104 VanDerWaalsContact C-N 3.27Å; A102-A104 PolarHBondContact O-N 3.49Å; A104-L263 HydrophobicContact CB-CD1 3.85Å; A104-L263 HydrophobicContact CB-CD2 3.48Å; A104-L263 VanDerWaalsContact CB-CD2 3.48Å; A104-L263 HydrophobicContact CB-CG 4.33Å
105G91.9Very high93.5Very high4 Ų416.6 Ų16.64%0.0419%0.086CC..THydrogen-bonded Turntrans85.636.5176.300000114.3Y63 L101 A102 A103Y63-G105 VanDerWaalsContact OH-CA 3.23Å; Y63-G105 WeakPolarHBondContact OH-CA 3.18Å; L101-G105 PolarHBondContact O-N 3.43Å; A102-G105 PolarHBondContact O-N 2.91Å; A102-G105 VanDerWaalsContact O-N 3.09Å; A103-G105 PolarHBondContact O-N 3.02Å
106V94.7Very high93.3Very high0 Ų021.6 Ų21.60%011%0.109CC..  trans-57.8136.9167.2173.60000109.6L80 A83 V85 L101 L109 V152 L263L80-V106 HydrophobicContact CD2-CG2 4.49Å; L80-V106 CarbonylContact O-C 3.58Å; L80-V106 WeakPolarHBondContact O-CA 3.23Å; A83-V106 WeakPolarHBondContact O-CG1 3.47Å; V85-V106 HydrophobicContact CB-CG1 4.49Å; V85-V106 HydrophobicContact CG2-CG1 3.85Å; L101-V106 HydrophobicContact CB-CB 4.43Å; L101-V106 HydrophobicContact CB-CG2 3.94Å; L101-V106 HydrophobicContact CD2-CG2 4.06Å; L101-V106 WeakPolarHBondContact O-CG2 3.2Å; L101-V106 PolarHBondContact O-N 2.97Å; L101-V106 VanDerWaalsContact O-N 3.12Å; V106-L109 HydrophobicContact CB-CD2 4.09Å; V106-L109 HydrophobicContact CG1-CD2 3.72Å; V106-L109 HydrophobicContact CG1-CG 4.49Å; V106-V152 VanDerWaalsContact O-CG1 3.25Å; V106-V152 WeakPolarHBondContact O-CG1 3.38Å; V106-V152 VanDerWaalsContact O-CG2 3.3Å; V106-V152 WeakPolarHBondContact O-CG2 3.25Å; V106-L263 HydrophobicContact CG2-CD2 4.01Å
107G91.3Very high93.2Very high10 Ų1021.5 Ų21.510%0.10311%0.108CC..SBendtrans-60.9-49.4-174.500000113.8L80 S81 A83 E153L80-G107 PolarHBondContact O-N 3.3Å; S81-G107 WeakPolarHBondContact O-CA 3.49Å; A83-G107 PolarHBondContact O-N 3.13Å; G107-E153 PolarHBondContact O-N 3.34Å
108R94.8Very high92.8Very high9 Ų926.2 Ų26.23%0.03413%0.13CC..EExtended strand (participates in β ladder)trans-136.9136.6-178.6-177.6-178-71171.2-2.3113S47 L49 A83 S84 V85 E153 I155 Y173S47-R108 VanDerWaalsContact O-CZ 3.25Å; S47-R108 PolarHBondContact O-NH1 3.37Å; S47-R108 PolarHBondContact O-NH2 3.45Å; L49-R108 HydrophobicContact CD1-CB 3.71Å; L49-R108 HydrophobicContact CD2-CB 4.09Å; L49-R108 HydrophobicContact CG-CB 4.19Å; A83-R108 PolarHBondContact O-N 3.35Å; A83-R108 VanDerWaalsContact O-N 3.14Å; S84-R108 WeakPolarHBondContact CA-O 3.44Å; V85-R108 PolarHBondContact N-O 3.32Å; R108-E153 CarbonylContact C-O 3.51Å; R108-E153 VanDerWaalsContact CA-O 3.25Å; R108-E153 WeakPolarHBondContact CA-O 3.39Å; R108-E153 HydrophobicContact CB-CB 4.34Å; R108-E153 HydrophobicContact CG-CB 4.34Å; R108-E153 HydrophobicContact CG-CG 4.48Å; R108-E153 IonicContact CZ-OE1 2.78Å; R108-E153 IonicContact CZ-OE2 3.48Å; R108-E153 VanDerWaalsContact CZ-OE2 3.24Å; R108-E153 IonicContact NE-OE1 2.65Å; R108-E153 IonicContact NE-OE2 3.33Å; R108-E153 PolarHBondContact NE-OE2 3.18Å; R108-E153 IonicContact NH2-OE1 3.59Å; R108-E153 PolarHBondContact NH2-OE1 3.43Å; R108-E153 IonicContact NH2-OE2 3.3Å; R108-E153 PolarHBondContact NH2-OE2 3.33Å; R108-I155 HydrophobicContact CG-CD1 3.9Å; R108-Y173 HydrophobicContact CG-CE1 4.24Å
109L95.4Very high92.3Very high0 Ų031 Ų310%016%0.155CC..EExtended strand (participates in β ladder)trans-121.2116.3173.7-60179.5000110.4V85 L101 A102 V106 V145 V152 E153 C154 I155V85-L109 HydrophobicContact CB-CD2 3.98Å; V85-L109 CarbonylContact O-C 3.56Å; V85-L109 WeakPolarHBondContact O-CA 3.26Å; L101-L109 HydrophobicContact CB-CD1 4.26Å; L101-L109 HydrophobicContact CB-CD2 3.89Å; L101-L109 HydrophobicContact CD1-CD2 3.98Å; A102-L109 HydrophobicContact CB-CD1 4.02Å; V106-L109 HydrophobicContact CB-CD2 4.09Å; V106-L109 HydrophobicContact CG1-CD2 3.72Å; V106-L109 HydrophobicContact CG1-CG 4.49Å; L109-V145 HydrophobicContact CD1-CG1 4.19Å; L109-V152 HydrophobicContact CD1-CG1 3.91Å; L109-V152 HydrophobicContact CG-CG1 3.85Å; L109-E153 PolarHBondContact N-O 2.93Å; L109-C154 WeakPolarHBondContact O-CA 3.49Å; L109-I155 PolarHBondContact O-N 3.46Å
110G94.6Very high91.7Very high0 Ų031.3 Ų31.30%016%0.163CC..EExtended strand (participates in β ladder)trans-86.1122.616600000109.5V85 I87 Y173V85-G110 PolarHBondContact O-N 3.01Å; I87-G110 PolarHBondContact N-O 3.45Å; G110-Y173 WeakPolarHBondContact CA-OH 3.3Å
111L94.6Very high91.2Very high0 Ų026 Ų260%014%0.143CC..EExtended strand (participates in β ladder)trans-112.7102.6-177.5-61.1175.2000108.8I87 A98 A138 A141 A142 I155 Y157I87-L111 HydrophobicContact CB-CD2 4.27Å; I87-L111 HydrophobicContact CD1-CD2 3.85Å; I87-L111 HydrophobicContact CG1-CD2 4.44Å; A98-L111 HydrophobicContact CB-CD2 4.05Å; L111-A138 WeakPolarHBondContact O-CB 3.27Å; L111-A141 HydrophobicContact CD1-CB 3.9Å; L111-A142 HydrophobicContact CD1-CB 3.89Å; L111-I155 PolarHBondContact N-O 2.87Å; L111-Y157 PolarHBondContact O-N 2.9Å
112L93.8Very high90.7Very high4 Ų427.4 Ų27.42%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-104.8117.4-176178.768.4000110.8L86 I87 V88 G89 Y157 L159 L161 L169L86-L112 HydrophobicContact CD1-CB 4.35Å; I87-L112 PolarHBondContact O-N 3.26Å; V88-L112 HydrophobicContact CG1-CD2 4.27Å; V88-L112 HydrophobicContact CG2-CD2 4.33Å; G89-L112 WeakPolarHBondContact CA-O 3.13Å; G89-L112 PolarHBondContact N-O 2.98Å; L112-Y157 VanDerWaalsContact CD1-CB 3.43Å; L112-Y157 HydrophobicContact CD1-CG 4.31Å; L112-L159 HydrophobicContact CD1-CD1 3.5Å; L112-L159 HydrophobicContact CD1-CD2 4.45Å; L112-L159 HydrophobicContact CD1-CG 3.55Å; L112-L159 VanDerWaalsContact CD1-O 3.23Å; L112-L159 WeakPolarHBondContact CD1-O 3.35Å; L112-L161 HydrophobicContact CD2-CB 4.01Å; L112-L161 HydrophobicContact CD2-CD1 3.59Å; L112-L161 HydrophobicContact CD2-CG 4.31Å; L112-L169 HydrophobicContact CD1-CD1 4.48Å; L112-L169 HydrophobicContact CD2-CD2 4.45Å
113D91.8Very high90.1Very high10 Ų1031.7 Ų31.75%0.05317%0.171CC..  trans-158.8132.7173.6-155.6-49.2000111.8C90 D115 K137 A138 Y157 H158C90-D113 WeakPolarHBondContact CA-OD2 3.49Å; C90-D113 HydrophobicContact CB-CB 3.87Å; C90-D113 WeakPolarHBondContact CB-OD2 3.4Å; C90-D113 PolarHBondContact N-OD2 2.9Å; D113-D115 WeakPolarHBondContact OD1-CB 3.47Å; D113-D115 PolarHBondContact OD1-N 3.44Å; D113-K137 HydrophobicContact CB-CB 4Å; D113-K137 WeakPolarHBondContact OD2-CD 3.34Å; D113-A138 HydrophobicContact CB-CB 4.27Å; D113-Y157 PolarHBondContact N-O 3Å; D113-H158 WeakPolarHBondContact O-CA 3.41Å; D113-H158 PolarHBondContact O-ND1 3.48Å; D113-H158 VanDerWaalsContact O-ND1 3.13Å
114Y89.1Confident89.5Confident47 Ų4731.6 Ų31.618%0.18416%0.161CC..  trans-92.8-10.6-179.368.2-88.2000113.4H158 Q160 T323 D324Y114-H158 PolarHBondContact O-CE1 3.06Å; Y114-Q160 HydrophobicContact CD1-CB 4.23Å; Y114-Q160 HydrophobicContact CD1-CG 4.02Å; Y114-Q160 HydrophobicContact CE1-CG 4.48Å; Y114-Q160 HydrophobicContact CG-CB 4.11Å; Y114-Q160 HydrophobicContact CG-CG 4.27Å; Y114-T323 HydrophobicContact CE2-CG2 4.22Å; Y114-T323 WeakPolarHBondContact OH-CA 3.39Å; Y114-D324 PolarHBondContact OH-N 3.46Å; Y114-D324 VanDerWaalsContact OH-N 3.15Å; Y114-D324 PolarHBondContact OH-OD2 3.05Å; Y114-D324 VanDerWaalsContact OH-OD2 3.05Å
115D89.4Confident89.3Confident22 Ų2231.5 Ų31.512%0.11816%0.159CC..PPolyproline II helixtrans-92.1166.6-176.6-87.5-17.7000113D113 K137D113-D115 WeakPolarHBondContact OD1-CB 3.47Å; D113-D115 PolarHBondContact OD1-N 3.44Å; D115-K137 HydrophobicContact CB-CD 3.77Å; D115-K137 HydrophobicContact CB-CG 4.43Å; D115-K137 WeakPolarHBondContact O-CG 3.45Å; D115-K137 PolarHBondContact O-N 3.07Å; D115-K137 IonicContact OD2-NZ 3.84Å; D115-K137 PolarHBondContact OD2-NZ 2.84Å
116E89.9Confident89.1Confident105 Ų10535.1 Ų35.149%0.49118%0.18SC..BIsolated β-bridgetrans-102.2159.1171.5-65.1177-175.600111.8E118 Q135 K137E116-E118 PolarHBondContact O-N 2.8Å; E116-Q135 CarbonylContact C-O 3.57Å; E116-Q135 VanDerWaalsContact CA-O 3.3Å; E116-Q135 WeakPolarHBondContact CA-O 3.11Å; E116-K137 WeakPolarHBondContact O-CE 3.33Å
117V89.3Confident88.9Confident3 Ų335.7 Ų35.72%0.01818%0.183CC..PPolyproline II helixtrans-72123177.2177.40000109.8L122 H128 N132 G134 Q135 K137V117-L122 HydrophobicContact CG1-CD2 3.77Å; V117-H128 HydrophobicContact CG1-CB 3.96Å; V117-H128 HydrophobicContact CG2-CB 4.16Å; V117-N132 WeakPolarHBondContact CB-O 3.06Å; V117-G134 PolarHBondContact O-N 3.15Å; V117-Q135 WeakPolarHBondContact CG2-O 3.22Å; V117-Q135 PolarHBondContact N-O 2.97Å; V117-K137 HydrophobicContact CG2-CG 4.05Å
118E85.9Confident88.9Confident99 Ų9936 Ų3646%0.46318%0.182SC..  trans-118.8147177.6-60.5178.1167.700111E116 S120 N121 L122E116-E118 PolarHBondContact O-N 2.8Å; E118-S120 VanDerWaalsContact C-N 3.28Å; E118-S120 PolarHBondContact O-N 2.93Å; E118-S120 PolarHBondContact OE2-OG 3.41Å; E118-N121 WeakPolarHBondContact O-CB 3.34Å; E118-N121 PolarHBondContact O-N 2.89Å; E118-N121 PolarHBondContact OE2-ND2 3.09Å; E118-L122 PolarHBondContact O-N 3.26Å
119L85.8Confident88.5Confident103 Ų10336.7 Ų36.754%0.53919%0.192SC..Hα-helixtrans-57.9-40.5179.6-169.777.4000112.3N121 L122 E130L119-N121 PolarHBondContact O-N 3.09Å; L119-L122 HydrophobicContact CD1-CD1 4.04Å; L119-L122 PolarHBondContact O-N 3.18Å; L119-E130 HydrophobicContact CD1-CG 4.43Å
120S82.1Confident88.2Confident62 Ų6243.7 Ų43.743%0.43423%0.225SC..Hα-helixtrans-57.6-18.8175.755.80000113.4E118 H123 R124E118-S120 VanDerWaalsContact C-N 3.28Å; E118-S120 PolarHBondContact O-N 2.93Å; E118-S120 PolarHBondContact OE2-OG 3.41Å; S120-H123 PolarHBondContact O-CD2 2.89Å; S120-H123 PolarHBondContact O-NE2 3.39Å; S120-R124 PolarHBondContact O-NH1 2.92Å
121N85.5Confident87.8Confident15 Ų1551 Ų518%0.0826%0.259CS..Hα-helixtrans-102.8-17.2-175.9-63.8-32.8000113.6E118 L119 H123 R124 Q125E118-N121 WeakPolarHBondContact O-CB 3.34Å; E118-N121 PolarHBondContact O-N 2.89Å; E118-N121 PolarHBondContact OE2-ND2 3.09Å; L119-N121 PolarHBondContact O-N 3.09Å; N121-H123 PolarHBondContact O-N 2.84Å; N121-R124 WeakPolarHBondContact O-CG 3.39Å; N121-R124 PolarHBondContact O-N 3.39Å; N121-R124 PolarHBondContact OD1-NH1 3.13Å; N121-R124 PolarHBondContact OD1-NH2 3.12Å; N121-Q125 HydrophobicContact CB-CG 4.3Å; N121-Q125 WeakPolarHBondContact O-CB 3.45Å; N121-Q125 WeakPolarHBondContact O-CG 3.42Å; N121-Q125 PolarHBondContact O-N 3.02Å
122L85Confident87.4Confident31 Ų3152 Ų5216%0.16226%0.264CS..Hα-helixtrans-63.2-28.5-176.5-66.3-176.3000113.6V117 E118 L119 R124 H128 E130V117-L122 HydrophobicContact CG1-CD2 3.77Å; E118-L122 PolarHBondContact O-N 3.26Å; L119-L122 HydrophobicContact CD1-CD1 4.04Å; L119-L122 PolarHBondContact O-N 3.18Å; L122-R124 PolarHBondContact O-N 3.43Å; L122-H128 HydrophobicContact CD2-CB 3.78Å; L122-E130 HydrophobicContact CD1-CB 4.29Å; L122-E130 HydrophobicContact CD1-CG 3.58Å
123H79.8Confident87.1Confident89 Ų8957.6 Ų57.641%0.41229%0.29SS..THydrogen-bonded Turntrans-61.3-15.3175.981.4110.7000113.9S120 N121 G247 V248S120-H123 PolarHBondContact O-CD2 2.89Å; S120-H123 PolarHBondContact O-NE2 3.39Å; N121-H123 PolarHBondContact O-N 2.84Å; H123-G247 VanDerWaalsContact CE1-CA 3.47Å; H123-G247 WeakPolarHBondContact CE1-CA 3.22Å; H123-V248 WeakPolarHBondContact O-CG2 3.23Å
124R82.4Confident86.8Confident44 Ų4459.1 Ų59.117%0.16631%0.308CS..THydrogen-bonded Turntrans-126.8-19.3177.668.1-174-175.4-71.7-5.4114.3G92 S120 N121 L122 V126 G247G92-R124 WeakPolarHBondContact CA-O 3.28Å; S120-R124 PolarHBondContact O-NH1 2.92Å; N121-R124 WeakPolarHBondContact O-CG 3.39Å; N121-R124 PolarHBondContact O-N 3.39Å; N121-R124 PolarHBondContact OD1-NH1 3.13Å; N121-R124 PolarHBondContact OD1-NH2 3.12Å; L122-R124 PolarHBondContact O-N 3.43Å; R124-V126 PolarHBondContact O-N 3.03Å; R124-G247 WeakPolarHBondContact CA-O 3.23Å; R124-G247 WeakPolarHBondContact CB-O 3.35Å
125Q88.7Confident86.7Confident4 Ų459.6 Ų59.62%0.01931%0.312CS..  trans-100.267.5-176.7-63.2179.2-2.900110.9C95 N121 L127 H128C95-Q125 VanDerWaalsContact SG-CA 3.59Å; N121-Q125 HydrophobicContact CB-CG 4.3Å; N121-Q125 WeakPolarHBondContact O-CB 3.45Å; N121-Q125 WeakPolarHBondContact O-CG 3.42Å; N121-Q125 PolarHBondContact O-N 3.02Å; Q125-L127 PolarHBondContact O-N 2.97Å; Q125-H128 PolarHBondContact O-N 2.8Å; Q125-H128 PolarHBondContact OE1-CD2 2.86Å
126V87.9Confident86.8Confident81 Ų8159.1 Ų59.149%0.49131%0.311SS..THydrogen-bonded Turntrans-66.3-5-170.9-60.40000115.1R124R124-V126 PolarHBondContact O-N 3.03Å
127L89Confident86.9Confident11 Ų1154.6 Ų54.66%0.05829%0.29CS..THydrogen-bonded Turntrans-78.5-26.2172.1-171.660.3000112C95 A98 Q99 Q125 A141 A144C95-L127 HydrophobicContact CB-CB 3.69Å; C95-L127 WeakPolarHBondContact SG-CB 3.25Å; A98-L127 HydrophobicContact CB-CD2 4.18Å; Q99-L127 HydrophobicContact CG-CD1 3.5Å; Q125-L127 PolarHBondContact O-N 2.97Å; L127-A141 HydrophobicContact CD2-CB 3.47Å; L127-A141 VanDerWaalsContact CD2-CB 3.47Å; L127-A141 HydrophobicContact CG-CB 4.42Å; L127-A144 HydrophobicContact CD1-CB 3.32Å; L127-A144 HydrophobicContact CG-CB 3.74Å
128H92Very high87Confident17 Ų1754.4 Ų54.48%0.07929%0.289CS..  trans-92.5164.9-179-53.7-43.2000111C90 V117 L122 Q125 K137 S140C90-H128 PolarHBondContact O-NE2 2.91Å; V117-H128 HydrophobicContact CG1-CB 3.96Å; V117-H128 HydrophobicContact CG2-CB 4.16Å; L122-H128 HydrophobicContact CD2-CB 3.78Å; Q125-H128 PolarHBondContact O-N 2.8Å; Q125-H128 PolarHBondContact OE1-CD2 2.86Å; H128-K137 PolarHBondContact CE1-O 2.85Å; H128-S140 WeakPolarHBondContact ND1-CB 3.36Å; H128-S140 PolarHBondContact ND1-OG 2.97Å
129G86.8Confident87.2Confident24 Ų2450.4 Ų50.425%0.24727%0.27CS..  trans-136.7162.617700000110.9E131 N132G129-E131 PolarHBondContact O-N 2.91Å; G129-N132 WeakPolarHBondContact O-CB 3.46Å; G129-N132 PolarHBondContact O-N 3.35Å
130E88.3Confident87.5Confident146 Ų14645.6 Ų45.668%0.68225%0.246SC*.G310 helixtrans-56.2-35.1179.9-66.8-178-177.100112.3L119 L122 N132 Q133L119-E130 HydrophobicContact CD1-CG 4.43Å; L122-E130 HydrophobicContact CD1-CB 4.29Å; L122-E130 HydrophobicContact CD1-CG 3.58Å; E130-N132 PolarHBondContact O-N 2.9Å; E130-N132 VanDerWaalsContact O-N 3.09Å; E130-Q133 WeakPolarHBondContact O-CB 3.5Å; E130-Q133 PolarHBondContact O-N 3.1Å
131E87.6Confident88Confident155 Ų15542.7 Ų42.772%0.72423%0.225SC*.G310 helixtrans-60.1-18.6175.168.8-167.4-161.300114.4G129G129-E131 PolarHBondContact O-N 2.91Å
132N85.6Confident88.3Confident19 Ų1942.1 Ų42.110%0.10222%0.222CC..G310 helixtrans-102.69.9-177.3-60.4-63.6000112.7V117 G129 E130 G134 Q135V117-N132 WeakPolarHBondContact CB-O 3.06Å; G129-N132 WeakPolarHBondContact O-CB 3.46Å; G129-N132 PolarHBondContact O-N 3.35Å; E130-N132 PolarHBondContact O-N 2.9Å; E130-N132 VanDerWaalsContact O-N 3.09Å; N132-G134 PolarHBondContact O-N 3.15Å; N132-Q135 VanDerWaalsContact O-CB 3.3Å; N132-Q135 WeakPolarHBondContact O-CB 3.33Å; N132-Q135 WeakPolarHBondContact O-CG 3.36Å; N132-Q135 PolarHBondContact O-N 2.86Å; N132-Q135 PolarHBondContact OD1-OE1 2.55Å
133Q88.1Confident88.6Confident123 Ų12342.9 Ų42.958%0.57522%0.223SC*.THydrogen-bonded Turntrans-54.9133.5177.4-174.3177.41.700111.5E130 Q135E130-Q133 WeakPolarHBondContact O-CB 3.5Å; E130-Q133 PolarHBondContact O-N 3.1Å; Q133-Q135 PolarHBondContact O-N 3.43Å
134G84.9Confident89.1Confident42 Ų4238.9 Ų38.943%0.43321%0.205SC..THydrogen-bonded Turntrans76.33.1-177.500000114.9V117 N132V117-G134 PolarHBondContact O-N 3.15Å; N132-G134 PolarHBondContact O-N 3.15Å
135Q87.5Confident89.6Confident57 Ų5736.8 Ų36.827%0.26620%0.198SC..SBendtrans-90150.6171-59.3-177.515.100110.7E116 V117 N132 Q133 K137E116-Q135 CarbonylContact C-O 3.57Å; E116-Q135 VanDerWaalsContact CA-O 3.3Å; E116-Q135 WeakPolarHBondContact CA-O 3.11Å; V117-Q135 WeakPolarHBondContact CG2-O 3.22Å; V117-Q135 PolarHBondContact N-O 2.97Å; N132-Q135 VanDerWaalsContact O-CB 3.3Å; N132-Q135 WeakPolarHBondContact O-CB 3.33Å; N132-Q135 WeakPolarHBondContact O-CG 3.36Å; N132-Q135 PolarHBondContact O-N 2.86Å; N132-Q135 PolarHBondContact OD1-OE1 2.55Å; Q133-Q135 PolarHBondContact O-N 3.43Å; Q135-K137 PolarHBondContact O-N 2.79Å
136A90.4Very high89.7Confident11 Ų1140.3 Ų40.39%0.09121%0.213CC..BIsolated β-bridgetrans-54.3129.6172.500000111.4L39 A138 L139 S140 H158L39-A136 HydrophobicContact CD1-CB 4.04Å; L39-A136 HydrophobicContact CD2-CB 4.48Å; A136-A138 VanDerWaalsContact C-N 3.29Å; A136-A138 PolarHBondContact O-N 2.92Å; A136-L139 HydrophobicContact CB-CB 4.3Å; A136-L139 PolarHBondContact O-N 3.15Å; A136-L139 VanDerWaalsContact O-N 3.13Å; A136-S140 PolarHBondContact O-N 2.89Å; A136-H158 HydrophobicContact CB-CB 4.46Å
137K92.6Very high89.8Confident10 Ų1045.1 Ų45.14%0.04322%0.222CC..Hα-helixtrans-57.6-42.1-178.9-72.8178.5-173.9157.90111.8C90 D113 D115 E116 V117 H128 Q135 L139 S140 A141C90-K137 HydrophobicContact CB-CB 4.12Å; D113-K137 HydrophobicContact CB-CB 4Å; D113-K137 WeakPolarHBondContact OD2-CD 3.34Å; D115-K137 HydrophobicContact CB-CD 3.77Å; D115-K137 HydrophobicContact CB-CG 4.43Å; D115-K137 WeakPolarHBondContact O-CG 3.45Å; D115-K137 PolarHBondContact O-N 3.07Å; D115-K137 IonicContact OD2-NZ 3.84Å; D115-K137 PolarHBondContact OD2-NZ 2.84Å; E116-K137 WeakPolarHBondContact O-CE 3.33Å; V117-K137 HydrophobicContact CG2-CG 4.05Å; H128-K137 PolarHBondContact CE1-O 2.85Å; Q135-K137 PolarHBondContact O-N 2.79Å; K137-L139 VanDerWaalsContact C-N 3.31Å; K137-L139 PolarHBondContact O-N 3.11Å; K137-S140 PolarHBondContact O-N 2.82Å; K137-A141 VanDerWaalsContact O-CB 3.27Å; K137-A141 WeakPolarHBondContact O-CB 3.31Å; K137-A141 PolarHBondContact O-N 3.33Å
138A91.6Very high89.9Confident0 Ų048.8 Ų48.80%024%0.241CC..Hα-helixtrans-56.4-43.8177.700000112.4L111 D113 A136 A142 P156 Y157L111-A138 WeakPolarHBondContact O-CB 3.27Å; D113-A138 HydrophobicContact CB-CB 4.27Å; A136-A138 VanDerWaalsContact C-N 3.29Å; A136-A138 PolarHBondContact O-N 2.92Å; A138-A142 WeakPolarHBondContact O-CB 3.3Å; A138-A142 PolarHBondContact O-N 2.86Å; A138-P156 HydrophobicContact CB-CB 4.06Å; A138-Y157 WeakPolarHBondContact CB-O 3.24Å
139L90.6Very high89.8Confident14 Ų1448.1 Ų48.17%0.07324%0.238CC..Hα-helixtrans-71-44.3179.4-174.163.4000112V36 L39 A136 K137 A141 A142 R143 P156V36-L139 HydrophobicContact CG1-CD1 4.29Å; V36-L139 WeakPolarHBondContact O-CD1 3.43Å; L39-L139 HydrophobicContact CD2-CB 3.88Å; L39-L139 HydrophobicContact CD2-CD1 4.49Å; A136-L139 HydrophobicContact CB-CB 4.3Å; A136-L139 PolarHBondContact O-N 3.15Å; A136-L139 VanDerWaalsContact O-N 3.13Å; K137-L139 VanDerWaalsContact C-N 3.31Å; K137-L139 PolarHBondContact O-N 3.11Å; L139-A141 VanDerWaalsContact C-N 3.29Å; L139-A141 PolarHBondContact O-N 3.41Å; L139-A142 PolarHBondContact O-N 3.16Å; L139-R143 WeakPolarHBondContact O-CG 3.37Å; L139-R143 PolarHBondContact O-N 3.17Å; L139-P156 HydrophobicContact CD1-CG 4.41Å
140S91.9Very high89.9Confident3 Ų351.1 Ų51.12%0.02126%0.255CS..Hα-helixtrans-58.6-44.2176-179.70000111H128 A136 K137 R143 A144H128-S140 WeakPolarHBondContact ND1-CB 3.36Å; H128-S140 PolarHBondContact ND1-OG 2.97Å; A136-S140 PolarHBondContact O-N 2.89Å; K137-S140 PolarHBondContact O-N 2.82Å; S140-R143 PolarHBondContact O-N 3.09Å; S140-A144 PolarHBondContact O-N 2.91Å; S140-A144 VanDerWaalsContact O-N 3.09Å
141A92.2Very high89.8Confident1 Ų147 Ų471%0.00824%0.241CC..Hα-helixtrans-61.8-47.4174.800000112.1C90 L111 L127 K137 L139 R143 A144 V145C90-A141 HydrophobicContact CB-CB 4.26Å; L111-A141 HydrophobicContact CD1-CB 3.9Å; L127-A141 HydrophobicContact CD2-CB 3.47Å; L127-A141 VanDerWaalsContact CD2-CB 3.47Å; L127-A141 HydrophobicContact CG-CB 4.42Å; K137-A141 VanDerWaalsContact O-CB 3.27Å; K137-A141 WeakPolarHBondContact O-CB 3.31Å; K137-A141 PolarHBondContact O-N 3.33Å; L139-A141 VanDerWaalsContact C-N 3.29Å; L139-A141 PolarHBondContact O-N 3.41Å; A141-R143 VanDerWaalsContact C-N 3.33Å; A141-R143 PolarHBondContact O-N 2.93Å; A141-A144 PolarHBondContact O-N 3.4Å; A141-V145 WeakPolarHBondContact O-CG2 3.5Å; A141-V145 PolarHBondContact O-N 3.36Å
142A92.2Very high90Very high2 Ų240.1 Ų40.12%0.01721%0.209CC..Hα-helixtrans-59.2-42.217900000112.4V36 L111 A138 L139 V145 K146 C154 P156V36-A142 HydrophobicContact CG1-CB 4.45Å; L111-A142 HydrophobicContact CD1-CB 3.89Å; A138-A142 WeakPolarHBondContact O-CB 3.3Å; A138-A142 PolarHBondContact O-N 2.86Å; L139-A142 PolarHBondContact O-N 3.16Å; A142-V145 PolarHBondContact O-N 2.97Å; A142-K146 WeakPolarHBondContact O-CB 3.44Å; A142-K146 PolarHBondContact O-N 2.9Å; A142-C154 HydrophobicContact CB-CB 4.31Å; A142-P156 HydrophobicContact CB-CB 4.08Å; A142-P156 HydrophobicContact CB-CG 4.22Å
143R90Very high90.3Very high47 Ų4742.7 Ų42.718%0.17722%0.22CC..Hα-helixtrans-62.9-45.5176-73-179.7-173.7154.49.2112H33 V36 L139 S140 A141 V145 K146 R147H33-R143 VanDerWaalsContact CE1-CZ 3.45Å; H33-R143 PolarHBondContact CE1-NH2 3.23Å; H33-R143 VanDerWaalsContact NE2-CZ 3.29Å; H33-R143 PolarHBondContact NE2-NH2 3.41Å; V36-R143 HydrophobicContact CG1-CG 3.78Å; L139-R143 WeakPolarHBondContact O-CG 3.37Å; L139-R143 PolarHBondContact O-N 3.17Å; S140-R143 PolarHBondContact O-N 3.09Å; A141-R143 VanDerWaalsContact C-N 3.33Å; A141-R143 PolarHBondContact O-N 2.93Å; R143-V145 VanDerWaalsContact C-N 3.34Å; R143-K146 PolarHBondContact O-N 3.1Å; R143-R147 WeakPolarHBondContact O-CB 3.27Å; R143-R147 PolarHBondContact O-N 2.84Å
144A91.6Very high90.4Very high5 Ų538.3 Ų38.34%0.04120%0.203CC..Hα-helixtrans-65.7-38.4-18000000112L127 S140 A141 R147 L148L127-A144 HydrophobicContact CD1-CB 3.32Å; L127-A144 HydrophobicContact CG-CB 3.74Å; S140-A144 PolarHBondContact O-N 2.91Å; S140-A144 VanDerWaalsContact O-N 3.09Å; A141-A144 PolarHBondContact O-N 3.4Å; A144-R147 PolarHBondContact O-N 3.33Å; A144-L148 PolarHBondContact O-N 2.89Å
145V91.9Very high90.8Very high0 Ų036.8 Ų36.80%019%0.185CC..Hα-helixtrans-64.5-47.6173.3170.70000111.6A98 A102 L109 A141 A142 R143 R147 L148 N149 C154A98-V145 HydrophobicContact CB-CG2 4Å; A102-V145 HydrophobicContact CB-CB 4.41Å; A102-V145 HydrophobicContact CB-CG1 3.4Å; A102-V145 HydrophobicContact CB-CG2 4.41Å; L109-V145 HydrophobicContact CD1-CG1 4.19Å; A141-V145 WeakPolarHBondContact O-CG2 3.5Å; A141-V145 PolarHBondContact O-N 3.36Å; A142-V145 PolarHBondContact O-N 2.97Å; R143-V145 VanDerWaalsContact C-N 3.34Å; V145-R147 PolarHBondContact O-N 3.36Å; V145-L148 WeakPolarHBondContact O-CA 3.3Å; V145-L148 WeakPolarHBondContact O-CB 3.49Å; V145-L148 PolarHBondContact O-N 3.3Å; V145-N149 PolarHBondContact O-N 3.07Å; V145-C154 WeakPolarHBondContact CG1-SG 3.42Å
146K90.3Very high91.1Very high78 Ų7834.5 Ų34.534%0.33918%0.175SC..Hα-helixtrans-62.5-33.5180-166.8175.1-171.4174.50112.3S35 V36 A142 R143 L148 N149 S150S35-K146 PolarHBondContact O-NZ 3.38Å; S35-K146 PolarHBondContact OG-NZ 2.89Å; V36-K146 HydrophobicContact CG2-CD 3.44Å; V36-K146 VanDerWaalsContact CG2-CD 3.44Å; V36-K146 VanDerWaalsContact CG2-NZ 3.29Å; A142-K146 WeakPolarHBondContact O-CB 3.44Å; A142-K146 PolarHBondContact O-N 2.9Å; R143-K146 PolarHBondContact O-N 3.1Å; K146-L148 VanDerWaalsContact C-N 3.31Å; K146-N149 CarbonylContact O-C 3.57Å; K146-S150 PolarHBondContact O-N 3.47Å
147R90.7Very high91.1Very high183 Ų18334 Ų3469%0.69117%0.17SC*.Hα-helixtrans-63.5-36.6172.1-178.3-179.964.6-134-2.1112R143 A144 V145R143-R147 WeakPolarHBondContact O-CB 3.27Å; R143-R147 PolarHBondContact O-N 2.84Å; A144-R147 PolarHBondContact O-N 3.33Å; V145-R147 PolarHBondContact O-N 3.36Å
148L90.5Very high91Very high88 Ų8836 Ų3646%0.46118%0.18SC..Hα-helixtrans-76.1-47.4178.9-179.462.9000111.9Q99 A102 A103 A144 V145 K146Q99-L148 HydrophobicContact CB-CD2 4.4Å; Q99-L148 VanDerWaalsContact O-CD2 3.3Å; Q99-L148 WeakPolarHBondContact O-CD2 3.41Å; A102-L148 HydrophobicContact CB-CD2 4.29Å; A103-L148 HydrophobicContact CB-CD2 4.1Å; A144-L148 PolarHBondContact O-N 2.89Å; V145-L148 WeakPolarHBondContact O-CA 3.3Å; V145-L148 WeakPolarHBondContact O-CB 3.49Å; V145-L148 PolarHBondContact O-N 3.3Å; K146-L148 VanDerWaalsContact C-N 3.31Å
149N90.9Very high90.9Very high3 Ų337 Ų372%0.01619%0.185CC..  trans-145.9103.3-178.8-166.2-3.7000111.8R62 Y63 A102 V145 K146 T151 V152R62-N149 PolarHBondContact NH1-OD1 3.35Å; Y63-N149 PolarHBondContact OH-ND2 3.28Å; A102-N149 WeakPolarHBondContact O-CB 3.32Å; A102-N149 PolarHBondContact O-ND2 3.21Å; V145-N149 PolarHBondContact O-N 3.07Å; K146-N149 CarbonylContact O-C 3.57Å; N149-T151 PolarHBondContact O-N 3.44Å; N149-T151 PolarHBondContact OD1-N 2.9Å; N149-T151 PolarHBondContact OD1-OG1 3.44Å; N149-V152 HydrophobicContact CB-CG2 4.02Å; N149-V152 PolarHBondContact O-N 3.01Å
150S87.9Confident90.7Very high86 Ų8639.7 Ų39.760%0.60120%0.197SC*.THydrogen-bonded Turntrans-73.2-8.9-178.1620000114.6K146K146-S150 PolarHBondContact O-N 3.47Å
151T87.3Confident90.5Very high61 Ų6140 Ų4037%0.37420%0.198SC..THydrogen-bonded Turntrans-86.4-10.4179.263.40000113.1N149N149-T151 PolarHBondContact O-N 3.44Å; N149-T151 PolarHBondContact OD1-N 2.9Å; N149-T151 PolarHBondContact OD1-OG1 3.44Å
152V90.8Very high90.2Very high9 Ų941.3 Ų41.36%0.05521%0.208CC..SBendtrans-88.5127.1179.7178.20000109.7V106 L109 N149 C154V106-V152 VanDerWaalsContact O-CG1 3.25Å; V106-V152 WeakPolarHBondContact O-CG1 3.38Å; V106-V152 VanDerWaalsContact O-CG2 3.3Å; V106-V152 WeakPolarHBondContact O-CG2 3.25Å; L109-V152 HydrophobicContact CD1-CG1 3.91Å; L109-V152 HydrophobicContact CG-CG1 3.85Å; N149-V152 HydrophobicContact CB-CG2 4.02Å; N149-V152 PolarHBondContact O-N 3.01Å; V152-C154 PolarHBondContact O-N 3Å
153E91.7Very high89.9Confident74 Ų7443 Ų4335%0.34622%0.218SC..EExtended strand (participates in β ladder)trans-76.5116.5174.4-171.1-176.9178.100109.6L49 G107 R108 L109 I155L49-E153 WeakPolarHBondContact CD2-OE2 3.38Å; G107-E153 PolarHBondContact O-N 3.34Å; R108-E153 CarbonylContact C-O 3.51Å; R108-E153 VanDerWaalsContact CA-O 3.25Å; R108-E153 WeakPolarHBondContact CA-O 3.39Å; R108-E153 HydrophobicContact CB-CB 4.34Å; R108-E153 HydrophobicContact CG-CB 4.34Å; R108-E153 HydrophobicContact CG-CG 4.48Å; R108-E153 IonicContact CZ-OE1 2.78Å; R108-E153 IonicContact CZ-OE2 3.48Å; R108-E153 VanDerWaalsContact CZ-OE2 3.24Å; R108-E153 IonicContact NE-OE1 2.65Å; R108-E153 IonicContact NE-OE2 3.33Å; R108-E153 PolarHBondContact NE-OE2 3.18Å; R108-E153 IonicContact NH2-OE1 3.59Å; R108-E153 PolarHBondContact NH2-OE1 3.43Å; R108-E153 IonicContact NH2-OE2 3.3Å; R108-E153 PolarHBondContact NH2-OE2 3.33Å; L109-E153 PolarHBondContact N-O 2.93Å; E153-I155 HydrophobicContact CG-CG1 4.49Å
154C91.7Very high89.7Confident30 Ų3047.9 Ų47.920%0.20324%0.243CC..EExtended strand (participates in β ladder)trans-113.8126.1-179.3-61.70000110.5L109 A142 V145 V152L109-C154 WeakPolarHBondContact O-CA 3.49Å; A142-C154 HydrophobicContact CB-CB 4.31Å; V145-C154 WeakPolarHBondContact CG1-SG 3.42Å; V152-C154 PolarHBondContact O-N 3Å
155I92.5Very high89.5Confident10 Ų1048.9 Ų48.95%0.05125%0.248CC..EExtended strand (participates in β ladder)trans-119.1105.9-177.3-57.5159.2000108.5Q40 L46 R108 L109 L111 E153 Y157Q40-I155 HydrophobicContact CG-CG2 4.43Å; L46-I155 HydrophobicContact CD1-CD1 3.46Å; L46-I155 VanDerWaalsContact CD1-CD1 3.46Å; L46-I155 HydrophobicContact CD2-CD1 3.55Å; L46-I155 HydrophobicContact CG-CD1 4.11Å; R108-I155 HydrophobicContact CG-CD1 3.9Å; L109-I155 PolarHBondContact O-N 3.46Å; L111-I155 PolarHBondContact N-O 2.87Å; E153-I155 HydrophobicContact CG-CG1 4.49Å; I155-Y157 HydrophobicContact CB-CE2 4.11Å; I155-Y157 HydrophobicContact CG2-CD2 4.32Å; I155-Y157 HydrophobicContact CG2-CE1 4.2Å; I155-Y157 HydrophobicContact CG2-CE2 3.6Å; I155-Y157 WeakPolarHBondContact O-CD2 3.45Å
156P93Very high89.3Confident9 Ų948.9 Ų48.96%0.05825%0.248CC..EExtended strand (participates in β ladder)trans-83126.6177.732.8-32.5000111.2L39 Q40 A138 L139 A142L39-P156 HydrophobicContact CD2-CB 3.94Å; L39-P156 HydrophobicContact CD2-CG 4.26Å; Q40-P156 PolarHBondContact N-O 2.71Å; Q40-P156 VanDerWaalsContact N-O 3.15Å; A138-P156 HydrophobicContact CB-CB 4.06Å; L139-P156 HydrophobicContact CD1-CG 4.41Å; A142-P156 HydrophobicContact CB-CB 4.08Å; A142-P156 HydrophobicContact CB-CG 4.22Å
157Y91.7Very high89.2Confident0 Ų048 Ų480%025%0.247CC..EExtended strand (participates in β ladder)trans-110.8114.5172.1-61.5-85.7000109.2Q40 L111 L112 D113 A138 I155 L159 L169 Y173Q40-Y157 HydrophobicContact CB-CD1 3.7Å; Q40-Y157 HydrophobicContact CB-CE1 3.93Å; Q40-Y157 HydrophobicContact CG-CE1 4.46Å; Q40-Y157 PolarHBondContact OE1-OH 2.89Å; L111-Y157 PolarHBondContact O-N 2.9Å; L112-Y157 VanDerWaalsContact CD1-CB 3.43Å; L112-Y157 HydrophobicContact CD1-CG 4.31Å; D113-Y157 PolarHBondContact N-O 3Å; A138-Y157 WeakPolarHBondContact CB-O 3.24Å; I155-Y157 HydrophobicContact CB-CE2 4.11Å; I155-Y157 HydrophobicContact CG2-CD2 4.32Å; I155-Y157 HydrophobicContact CG2-CE1 4.2Å; I155-Y157 HydrophobicContact CG2-CE2 3.6Å; I155-Y157 WeakPolarHBondContact O-CD2 3.45Å; Y157-L159 HydrophobicContact CD1-CD2 4Å; Y157-L159 HydrophobicContact CG-CD2 4.45Å; Y157-L159 PolarHBondContact O-N 3.18Å; Y157-L169 HydrophobicContact CD1-CD1 3.9Å; Y157-L169 HydrophobicContact CD2-CD1 4.4Å; Y157-L169 HydrophobicContact CE1-CD1 3.97Å; Y157-L169 HydrophobicContact CE2-CD1 4.49Å; Y157-L169 HydrophobicContact CG-CD1 4.12Å; Y157-Y173 HydrophobicContact CE2-CE2 4.49Å; Y157-Y173 VanDerWaalsContact CE2-OH 3.23Å; Y157-Y173 WeakPolarHBondContact CE2-OH 3.41Å; Y157-Y173 PolarHBondContact OH-OH 2.85Å
158H90.3Very high89.1Confident54 Ų5443.5 Ų43.525%0.2523%0.234CC..  trans-97.768.5173.7-171.553000110.4L39 D113 Y114 A136L39-H158 HydrophobicContact CB-CB 4.17Å; L39-H158 HydrophobicContact CD1-CB 3.87Å; L39-H158 HydrophobicContact CD2-CB 3.67Å; L39-H158 HydrophobicContact CG-CB 4.1Å; D113-H158 WeakPolarHBondContact O-CA 3.41Å; D113-H158 PolarHBondContact O-ND1 3.48Å; D113-H158 VanDerWaalsContact O-ND1 3.13Å; Y114-H158 PolarHBondContact O-CE1 3.06Å; A136-H158 HydrophobicContact CB-CB 4.46Å
159L88.7Confident89Confident21 Ų2139.3 Ų39.311%0.1121%0.212CC..SBendtrans-145.9150.9-178.863.196.8000110.4Q40 L112 Y157 N165Q40-L159 WeakPolarHBondContact O-CD2 3.43Å; L112-L159 HydrophobicContact CD1-CD1 3.5Å; L112-L159 HydrophobicContact CD1-CD2 4.45Å; L112-L159 HydrophobicContact CD1-CG 3.55Å; L112-L159 VanDerWaalsContact CD1-O 3.23Å; L112-L159 WeakPolarHBondContact CD1-O 3.35Å; Y157-L159 HydrophobicContact CD1-CD2 4Å; Y157-L159 HydrophobicContact CG-CD2 4.45Å; Y157-L159 PolarHBondContact O-N 3.18Å; L159-N165 WeakPolarHBondContact CD1-ND2 3.27Å
160Q87.2Confident89.1Confident69 Ų6939.1 Ų39.132%0.32221%0.211SC..  trans-80.5134172.6-170-179.71.700109Y114 S162 N165 A322Y114-Q160 HydrophobicContact CD1-CB 4.23Å; Y114-Q160 HydrophobicContact CD1-CG 4.02Å; Y114-Q160 HydrophobicContact CE1-CG 4.48Å; Y114-Q160 HydrophobicContact CG-CB 4.11Å; Y114-Q160 HydrophobicContact CG-CG 4.27Å; Q160-S162 PolarHBondContact O-N 2.83Å; Q160-N165 PolarHBondContact O-ND2 2.92Å; Q160-A322 PolarHBondContact NE2-O 2.8Å; Q160-A322 VanDerWaalsContact NE2-O 3.13Å
161L86.9Confident89.2Confident9 Ų940.1 Ų40.15%0.04721%0.206CC..  trans-66.1127.9175.2-164.774.8000109.3V88 L112 A166 T185 L188 V189V88-L161 HydrophobicContact CG1-CD2 4.19Å; L112-L161 HydrophobicContact CD2-CB 4.01Å; L112-L161 HydrophobicContact CD2-CD1 3.59Å; L112-L161 HydrophobicContact CD2-CG 4.31Å; L161-A166 HydrophobicContact CD1-CB 3.77Å; L161-A166 HydrophobicContact CD2-CB 4.33Å; L161-A166 HydrophobicContact CG-CB 3.92Å; L161-T185 HydrophobicContact CD2-CG2 4.15Å; L161-L188 HydrophobicContact CB-CD2 4.24Å; L161-L188 HydrophobicContact CD2-CD2 3.87Å; L161-L188 HydrophobicContact CD2-CG 4.11Å; L161-L188 HydrophobicContact CG-CD2 3.79Å; L161-L188 HydrophobicContact CG-CG 4.42Å; L161-V189 HydrophobicContact CD2-CG2 3.27Å
162S87.1Confident89.4Confident29 Ų2939.1 Ų39.120%0.20320%0.197CC..  trans-137.7162.2-177.7800000110.7Q160 E164 N165 A166Q160-S162 PolarHBondContact O-N 2.83Å; S162-E164 WeakPolarHBondContact CB-OE2 3.37Å; S162-E164 PolarHBondContact O-N 3.48Å; S162-E164 VanDerWaalsContact O-N 3.11Å; S162-E164 PolarHBondContact OG-OE2 3.38Å; S162-N165 PolarHBondContact N-ND2 2.9Å; S162-N165 PolarHBondContact N-OD1 3.33Å; S162-N165 PolarHBondContact O-N 2.88Å; S162-N165 VanDerWaalsContact O-N 3.15Å; S162-N165 PolarHBondContact O-OD1 2.9Å; S162-N165 VanDerWaalsContact O-OD1 3.07Å; S162-N165 PolarHBondContact OG-ND2 2.64Å; S162-N165 VanDerWaalsContact OG-ND2 3.15Å; S162-A166 WeakPolarHBondContact O-CB 3.49Å; S162-A166 PolarHBondContact O-N 3.43Å
163P85.6Confident89.6Confident37 Ų3738.7 Ų38.724%0.2419%0.194CC..Hα-helixtrans-53.8-31177.4-27.337.2000113.7L188 L311 I312 Y314P163-L188 HydrophobicContact CG-CD1 4.34Å; P163-L311 HydrophobicContact CB-CB 3.84Å; P163-L311 WeakPolarHBondContact O-CD1 3.41Å; P163-I312 WeakPolarHBondContact CG-O 3.23Å; P163-Y314 HydrophobicContact CG-CD2 4.22Å
164E84.8Confident89.7Confident150 Ų15038.8 Ų38.870%0.70120%0.197SC*.Hα-helixtrans-76.4-31.1-177.2-5473.9-156.100112.7S162S162-E164 WeakPolarHBondContact CB-OE2 3.37Å; S162-E164 PolarHBondContact O-N 3.48Å; S162-E164 VanDerWaalsContact O-N 3.11Å; S162-E164 PolarHBondContact OG-OE2 3.38Å
165N87.2Confident89.8Confident26 Ų2637.6 Ų37.614%0.13919%0.189CC..Hα-helixtrans-104.8-24.3-174.268.434.5000113.6V43 L159 Q160 S162 L167 Q168 L169V43-N165 HydrophobicContact CG2-CB 3.83Å; L159-N165 WeakPolarHBondContact CD1-ND2 3.27Å; Q160-N165 PolarHBondContact O-ND2 2.92Å; S162-N165 PolarHBondContact N-ND2 2.9Å; S162-N165 PolarHBondContact N-OD1 3.33Å; S162-N165 PolarHBondContact O-N 2.88Å; S162-N165 VanDerWaalsContact O-N 3.15Å; S162-N165 PolarHBondContact O-OD1 2.9Å; S162-N165 VanDerWaalsContact O-OD1 3.07Å; S162-N165 PolarHBondContact OG-ND2 2.64Å; S162-N165 VanDerWaalsContact OG-ND2 3.15Å; N165-L167 PolarHBondContact O-N 2.83Å; N165-Q168 PolarHBondContact O-N 3.28Å; N165-L169 WeakPolarHBondContact O-CB 3.41Å; N165-L169 PolarHBondContact O-N 3.45Å
166A88.5Confident89.9Confident0 Ų037.1 Ų37.10%019%0.186CC..Hα-helixtrans-62.9-44.5-16800000112.8L161 S162 L169 I170 L188 A192 L311L161-A166 HydrophobicContact CD1-CB 3.77Å; L161-A166 HydrophobicContact CD2-CB 4.33Å; L161-A166 HydrophobicContact CG-CB 3.92Å; S162-A166 WeakPolarHBondContact O-CB 3.49Å; S162-A166 PolarHBondContact O-N 3.43Å; A166-L169 PolarHBondContact O-N 3Å; A166-I170 HydrophobicContact CB-CD1 4.5Å; A166-I170 VanDerWaalsContact O-CB 3.31Å; A166-I170 WeakPolarHBondContact O-CB 3.25Å; A166-I170 WeakPolarHBondContact O-CG1 3.28Å; A166-I170 PolarHBondContact O-N 2.87Å; A166-L188 HydrophobicContact CB-CD1 3.98Å; A166-L188 HydrophobicContact CB-CD2 4.48Å; A166-L188 HydrophobicContact CB-CG 4.21Å; A166-A192 HydrophobicContact CB-CB 4.18Å; A166-L311 HydrophobicContact CB-CD1 3.94Å
167L88.1Confident90Very high61 Ų6136.7 Ų36.732%0.31918%0.183SC..Hα-helixtrans-64.7-46.8-177.9-165.575.3000111.3N165 L169 Q171 L195 S196 L311N165-L167 PolarHBondContact O-N 2.83Å; L167-L169 VanDerWaalsContact C-N 3.26Å; L167-L169 PolarHBondContact O-N 3.13Å; L167-Q171 WeakPolarHBondContact O-CB 3.45Å; L167-Q171 WeakPolarHBondContact O-CG 3.39Å; L167-Q171 PolarHBondContact O-N 3.32Å; L167-Q171 VanDerWaalsContact O-N 3.12Å; L167-L195 HydrophobicContact CD1-CB 4.05Å; L167-S196 VanDerWaalsContact CD1-OG 3.27Å; L167-S196 WeakPolarHBondContact CD1-OG 3.24Å; L167-L311 HydrophobicContact CB-CD1 4.19Å
168Q88.2Confident90.1Very high87 Ų8736.7 Ų36.741%0.40718%0.184SC..Hα-helixtrans-63.2-36.1179.5-168.7-170.7-17.600111.4V43 N165 Q172V43-Q168 HydrophobicContact CB-CG 4.32Å; V43-Q168 HydrophobicContact CG1-CB 4.06Å; V43-Q168 HydrophobicContact CG1-CG 3.71Å; V43-Q168 PolarHBondContact O-NE2 3.49Å; N165-Q168 PolarHBondContact O-N 3.28Å; Q168-Q172 WeakPolarHBondContact O-CG 3.33Å; Q168-Q172 PolarHBondContact O-NE2 3.49Å
169L89.9Confident90.1Very high0 Ų034.5 Ų34.50%017%0.174CC..Hα-helixtrans-76.7-47.4-178.1-163.7143000111.1V43 L86 L112 Y157 N165 A166 L167 Q171 Q172 Y173V43-L169 HydrophobicContact CG1-CB 4Å; V43-L169 HydrophobicContact CG1-CD1 4.43Å; V43-L169 HydrophobicContact CG1-CG 4.39Å; V43-L169 HydrophobicContact CG2-CB 4.16Å; V43-L169 HydrophobicContact CG2-CD1 3.92Å; L86-L169 HydrophobicContact CD1-CD2 3.36Å; L86-L169 HydrophobicContact CD2-CD2 3.24Å; L86-L169 HydrophobicContact CG-CD2 3.9Å; L112-L169 HydrophobicContact CD1-CD1 4.48Å; L112-L169 HydrophobicContact CD2-CD2 4.45Å; Y157-L169 HydrophobicContact CD1-CD1 3.9Å; Y157-L169 HydrophobicContact CD2-CD1 4.4Å; Y157-L169 HydrophobicContact CE1-CD1 3.97Å; Y157-L169 HydrophobicContact CE2-CD1 4.49Å; Y157-L169 HydrophobicContact CG-CD1 4.12Å; N165-L169 WeakPolarHBondContact O-CB 3.41Å; N165-L169 PolarHBondContact O-N 3.45Å; A166-L169 PolarHBondContact O-N 3Å; L167-L169 VanDerWaalsContact C-N 3.26Å; L167-L169 PolarHBondContact O-N 3.13Å; L169-Q171 PolarHBondContact O-N 2.88Å; L169-Q172 PolarHBondContact O-N 3.08Å; L169-Y173 HydrophobicContact CD2-CE2 4.41Å; L169-Y173 VanDerWaalsContact O-CD2 3.27Å; L169-Y173 WeakPolarHBondContact O-CD2 3.27Å
170I91.7Very high90Very high0 Ų033.8 Ų33.80%017%0.171CC..Hα-helixtrans-64.6-35.4-178.8-74.1165.4000112.7L86 A166 Q172 Y173 V176 A192 K198L86-I170 HydrophobicContact CD2-CG1 3.79Å; A166-I170 HydrophobicContact CB-CD1 4.5Å; A166-I170 VanDerWaalsContact O-CB 3.31Å; A166-I170 WeakPolarHBondContact O-CB 3.25Å; A166-I170 WeakPolarHBondContact O-CG1 3.28Å; A166-I170 PolarHBondContact O-N 2.87Å; I170-Q172 PolarHBondContact O-N 3.07Å; I170-Q172 VanDerWaalsContact O-N 3.16Å; I170-Y173 PolarHBondContact O-N 2.91Å; I170-V176 HydrophobicContact CB-CG2 4.38Å; I170-V176 HydrophobicContact CG1-CG2 4.08Å; I170-V176 HydrophobicContact CG2-CG2 3.79Å; I170-A192 HydrophobicContact CD1-CB 3.4Å; I170-A192 VanDerWaalsContact CD1-CB 3.4Å; I170-K198 HydrophobicContact CG2-CB 4.23Å; I170-K198 HydrophobicContact CG2-CG 3.93Å
171Q91.1Very high89.4Confident106 Ų10632.4 Ų32.450%0.49517%0.166SC..THydrogen-bonded Turntrans-60.3-26.9179-78.4176.50.500113.6L167 L169 Y173 K198L167-Q171 WeakPolarHBondContact O-CB 3.45Å; L167-Q171 WeakPolarHBondContact O-CG 3.39Å; L167-Q171 PolarHBondContact O-N 3.32Å; L167-Q171 VanDerWaalsContact O-N 3.12Å; L169-Q171 PolarHBondContact O-N 2.88Å; Q171-Y173 VanDerWaalsContact C-N 3.31Å; Q171-Y173 PolarHBondContact O-N 3.21Å; Q171-K198 PolarHBondContact O-NZ 3.2Å
172Q91.6Very high89Confident41 Ų4132.2 Ų32.219%0.19217%0.165CC..THydrogen-bonded Turntrans-81.5-7.4-176.1-63.4179.173.300114.2T44 P45 Q168 L169 I170T44-Q172 PolarHBondContact O-OE1 2.99Å; P45-Q172 VanDerWaalsContact CA-OE1 3.3Å; Q168-Q172 WeakPolarHBondContact O-CG 3.33Å; Q168-Q172 PolarHBondContact O-NE2 3.49Å; L169-Q172 PolarHBondContact O-N 3.08Å; I170-Q172 PolarHBondContact O-N 3.07Å; I170-Q172 VanDerWaalsContact O-N 3.16Å
173Y94.4Very high88.6Confident0 Ų031.5 Ų31.50%016%0.159CC..  trans-117155.2-179.2-66-90.3000111.3L46 S84 L86 R108 G110 Y157 L169 I170 Q171 K198L46-Y173 HydrophobicContact CD1-CE1 4.47Å; L46-Y173 HydrophobicContact CD1-CE2 4.2Å; L46-Y173 WeakPolarHBondContact CD1-OH 3.46Å; S84-Y173 WeakPolarHBondContact OG-CA 3.39Å; L86-Y173 HydrophobicContact CB-CD1 4.09Å; L86-Y173 HydrophobicContact CB-CD2 3.81Å; L86-Y173 HydrophobicContact CB-CE2 4.38Å; L86-Y173 HydrophobicContact CB-CG 3.67Å; L86-Y173 HydrophobicContact CD1-CD2 4.28Å; L86-Y173 HydrophobicContact CD1-CE2 4.08Å; L86-Y173 HydrophobicContact CD2-CD2 4.46Å; L86-Y173 HydrophobicContact CG-CD2 4.41Å; R108-Y173 HydrophobicContact CG-CE1 4.24Å; G110-Y173 WeakPolarHBondContact CA-OH 3.3Å; Y157-Y173 HydrophobicContact CE2-CE2 4.49Å; Y157-Y173 VanDerWaalsContact CE2-OH 3.23Å; Y157-Y173 WeakPolarHBondContact CE2-OH 3.41Å; Y157-Y173 PolarHBondContact OH-OH 2.85Å; L169-Y173 HydrophobicContact CD2-CE2 4.41Å; L169-Y173 VanDerWaalsContact O-CD2 3.27Å; L169-Y173 WeakPolarHBondContact O-CD2 3.27Å; I170-Y173 PolarHBondContact O-N 2.91Å; Q171-Y173 VanDerWaalsContact C-N 3.31Å; Q171-Y173 PolarHBondContact O-N 3.21Å; Y173-K198 WeakPolarHBondContact O-CD 3.46Å; Y173-K198 WeakPolarHBondContact O-CE 3.27Å; Y173-K198 PolarHBondContact O-NZ 2.82Å
174D92.9Very high88.5Confident76 Ų7629.9 Ų29.941%0.40615%0.149SC..SBendtrans-83.5-37.9179.3-58-53.3000111.6S84 P199S84-D174 PolarHBondContact N-OD2 3.11Å; S84-D174 WeakPolarHBondContact O-CB 3.17Å; S84-D174 PolarHBondContact O-N 3.48Å; S84-D174 VanDerWaalsContact OG-CG 3.22Å; S84-D174 PolarHBondContact OG-N 3.08Å; S84-D174 PolarHBondContact OG-OD2 3.47Å; D174-P199 VanDerWaalsContact O-CD 3.25Å; D174-P199 WeakPolarHBondContact O-CD 2.92Å; D174-P199 WeakPolarHBondContact O-CG 3.1Å
175I94.3Very high88.6Confident4 Ų423.1 Ų23.12%0.02112%0.117CC..EExtended strand (participates in β ladder)trans-132.4139.2-177.5-54.6164.7000109.2S84 V85 L86 P199 V201 V262 I265 A266S84-I175 PolarHBondContact O-N 2.97Å; S84-I175 VanDerWaalsContact O-N 3.15Å; V85-I175 WeakPolarHBondContact CA-O 3.47Å; V85-I175 HydrophobicContact CG2-CB 4.33Å; V85-I175 HydrophobicContact CG2-CD1 4.5Å; L86-I175 PolarHBondContact N-O 3.28Å; I175-P199 HydrophobicContact CB-CG 4.4Å; I175-P199 HydrophobicContact CG1-CG 4.05Å; I175-P199 HydrophobicContact CG2-CG 4.4Å; I175-V201 HydrophobicContact CG2-CG2 4.36Å; I175-V262 HydrophobicContact CD1-CG1 4.28Å; I175-V262 HydrophobicContact CG2-CG1 4.26Å; I175-V262 HydrophobicContact CG2-CG2 4.31Å; I175-I265 HydrophobicContact CD1-CB 3.92Å; I175-I265 HydrophobicContact CD1-CG2 3.58Å; I175-I265 HydrophobicContact CG1-CG2 3.88Å; I175-A266 HydrophobicContact CD1-CB 3.67Å
176V95.6Very high88.6Confident0 Ų023.5 Ų23.50%012%0.117CC..EExtended strand (participates in β ladder)trans-112.9133.3174.6-176.20000109.8L86 V88 I170 V189 P199 L200 V201L86-V176 HydrophobicContact CB-CG2 4.36Å; L86-V176 HydrophobicContact CD2-CG1 4.08Å; L86-V176 HydrophobicContact CD2-CG2 4.26Å; V88-V176 HydrophobicContact CG2-CG1 4.15Å; I170-V176 HydrophobicContact CB-CG2 4.38Å; I170-V176 HydrophobicContact CG1-CG2 4.08Å; I170-V176 HydrophobicContact CG2-CG2 3.79Å; V176-V189 HydrophobicContact CG1-CG1 3.78Å; V176-P199 PolarHBondContact N-O 3.39Å; V176-P199 VanDerWaalsContact N-O 3.08Å; V176-L200 HydrophobicContact CB-CD1 4.24Å; V176-L200 HydrophobicContact CG1-CD1 4.03Å; V176-L200 CarbonylContact O-C 3.6Å; V176-L200 WeakPolarHBondContact O-CA 3.46Å; V176-V201 PolarHBondContact O-N 3.06Å
177A95.1Very high88.6Confident0 Ų023.5 Ų23.50%012%0.117CC..EExtended strand (participates in β ladder)trans-113.4119.4172.500000109.7L86 V88 L97 V201 V262L86-A177 PolarHBondContact O-N 3.01Å; V88-A177 PolarHBondContact N-O 3.48Å; L97-A177 HydrophobicContact CD2-CB 3.4Å; L97-A177 VanDerWaalsContact CD2-CB 3.4Å; A177-V201 WeakPolarHBondContact CA-O 3.14Å; A177-V262 HydrophobicContact CB-CG2 4.39Å
178D93.2Very high88.6Confident1 Ų120.8 Ų20.81%0.00510%0.103CC..EExtended strand (participates in β ladder)trans-90.4111174.7165.238.7000109.5S180 R186 V189 L200 V201 S202 A203 Q258D178-S180 WeakPolarHBondContact OD1-CB 3.43Å; D178-S180 PolarHBondContact OD1-N 2.66Å; D178-S180 VanDerWaalsContact OD1-N 3.07Å; D178-S180 PolarHBondContact OD1-OG 3.48Å; D178-R186 WeakPolarHBondContact OD2-CG 3.23Å; D178-V189 HydrophobicContact CB-CG1 4.29Å; D178-L200 HydrophobicContact CB-CD1 3.77Å; D178-V201 PolarHBondContact N-O 3.06Å; D178-S202 WeakPolarHBondContact OD2-CB 3.43Å; D178-S202 PolarHBondContact OD2-OG 2.97Å; D178-A203 PolarHBondContact O-N 2.9Å; D178-Q258 PolarHBondContact O-NE2 3.38Å
179C90.1Very high88.8Confident7 Ų716.7 Ų16.75%0.0478%0.084CC..  trans-11619177.5-59.50000110.9V88 G89 L93 L97 Q258V88-C179 CarbonylContact O-C 3.54Å; V88-C179 VanDerWaalsContact O-C 3.29Å; V88-C179 VanDerWaalsContact O-CA 3.29Å; V88-C179 WeakPolarHBondContact O-CA 3.48Å; V88-C179 VanDerWaalsContact O-CB 3.31Å; V88-C179 WeakPolarHBondContact O-CB 3.37Å; V88-C179 PolarHBondContact O-N 2.99Å; G89-C179 WeakPolarHBondContact O-CB 3.36Å; L93-C179 HydrophobicContact CB-CB 3.85Å; L97-C179 WeakPolarHBondContact CD2-SG 3.4Å; C179-Q258 PolarHBondContact SG-OE1 3Å
180S85.5Confident88.8Confident6 Ų616.7 Ų16.74%0.0428%0.084CC..  trans-80.3142.8179.671.70000111.5V88 D178 R186V88-S180 PolarHBondContact O-N 3.07Å; D178-S180 WeakPolarHBondContact OD1-CB 3.43Å; D178-S180 PolarHBondContact OD1-N 2.66Å; D178-S180 VanDerWaalsContact OD1-N 3.07Å; D178-S180 PolarHBondContact OD1-OG 3.48Å; S180-R186 PolarHBondContact O-NE 2.99Å
181D75.8Confident88.7Confident41 Ų4116.7 Ų16.722%0.2198%0.084CC..  trans-92.5-11.8176.151.2-26.8000113.4R186 D324D181-R186 PolarHBondContact O-NH2 2.91Å; D181-D324 VanDerWaalsContact OD1-OD1 3.08Å; D181-D324 VanDerWaalsContact OD1-OD2 3.1Å
182N77.8Confident88.7Confident4 Ų411.7 Ų11.72%0.0216%0.06CC..SBendtrans-95.6142.4179.967.583.4000114T185 R186 A322 D324N182-T185 PolarHBondContact ND2-OG1 3.16Å; N182-T185 WeakPolarHBondContact OD1-CB 3.4Å; N182-T185 PolarHBondContact OD1-N 3.44Å; N182-T185 PolarHBondContact OD1-OG1 3.29Å; N182-R186 WeakPolarHBondContact O-CG 3.44Å; N182-R186 PolarHBondContact O-N 3.27Å; N182-A322 PolarHBondContact ND2-O 2.81Å; N182-D324 WeakPolarHBondContact CB-OD1 3.34Å
183V79.6Confident88.7Confident15 Ų159.8 Ų9.89%0.0915%0.052CC..Hα-helixtrans-63.8-43.8-178.3178.20000113.4T185 R186 Y187 V237V183-T185 PolarHBondContact O-N 2.97Å; V183-R186 PolarHBondContact O-N 2.88Å; V183-Y187 HydrophobicContact CG1-CD2 3.73Å; V183-Y187 HydrophobicContact CG1-CE2 3.56Å; V183-Y187 WeakPolarHBondContact O-CD2 3.2Å; V183-Y187 PolarHBondContact O-N 3.35Å; V183-V237 HydrophobicContact CG2-CG1 3.7Å; V183-V237 HydrophobicContact CG2-CG2 4.31Å
184P84Confident88.4Confident2 Ų210.8 Ų10.81%0.0136%0.058CC..Hα-helixtrans-58.7-43.3-178.8-25.635.7000113.3R186 Y187 L188 C318 S320 A322P184-R186 VanDerWaalsContact C-N 3.33Å; P184-R186 PolarHBondContact O-N 3.01Å; P184-Y187 PolarHBondContact O-N 2.99Å; P184-L188 WeakPolarHBondContact O-CB 3.28Å; P184-L188 PolarHBondContact O-N 3.44Å; P184-C318 HydrophobicContact CG-CB 3.95Å; P184-S320 WeakPolarHBondContact CG-O 3.2Å; P184-S320 WeakPolarHBondContact CG-OG 3.04Å; P184-A322 HydrophobicContact CB-CB 4.03Å
185T86.4Confident88.1Confident8 Ų810.3 Ų10.35%0.0496%0.055CC..Hα-helixtrans-64-38.3178.4-60.20000111.2V88 L161 N182 V183 Y187 L188 V189V88-T185 HydrophobicContact CG1-CG2 3.94Å; L161-T185 HydrophobicContact CD2-CG2 4.15Å; N182-T185 PolarHBondContact ND2-OG1 3.16Å; N182-T185 WeakPolarHBondContact OD1-CB 3.4Å; N182-T185 PolarHBondContact OD1-N 3.44Å; N182-T185 PolarHBondContact OD1-OG1 3.29Å; V183-T185 PolarHBondContact O-N 2.97Å; T185-Y187 PolarHBondContact O-N 2.96Å; T185-L188 PolarHBondContact O-N 3.39Å; T185-V189 HydrophobicContact CG2-CG2 3.93Å; T185-V189 WeakPolarHBondContact O-CB 3.3Å; T185-V189 VanDerWaalsContact O-CG2 3.27Å; T185-V189 WeakPolarHBondContact O-CG2 3.47Å; T185-V189 PolarHBondContact O-N 3.44Å
186R88Confident87.8Confident34 Ų3411.3 Ų11.313%0.1286%0.062CC..Hα-helixtrans-61.5-42.8176.8-60.6-174-147.9-177.58.3112.4D178 S180 D181 N182 V183 P184 N190 S204D178-R186 WeakPolarHBondContact OD2-CG 3.23Å; S180-R186 PolarHBondContact O-NE 2.99Å; D181-R186 PolarHBondContact O-NH2 2.91Å; N182-R186 WeakPolarHBondContact O-CG 3.44Å; N182-R186 PolarHBondContact O-N 3.27Å; V183-R186 PolarHBondContact O-N 2.88Å; P184-R186 VanDerWaalsContact C-N 3.33Å; P184-R186 PolarHBondContact O-N 3.01Å; R186-N190 VanDerWaalsContact O-CB 3.23Å; R186-N190 WeakPolarHBondContact O-CB 3.4Å; R186-N190 PolarHBondContact O-N 3.33Å; R186-S204 PolarHBondContact NH1-OG 3.32Å
187Y86.5Confident87.4Confident0 Ų014 Ų140%09%0.09CC..Hα-helixtrans-65.8-42.9174.8-82.4-83.3000111.8V183 P184 T185 N190 D191 Y224 R225 Y228 L230 P231V183-Y187 HydrophobicContact CG1-CD2 3.73Å; V183-Y187 HydrophobicContact CG1-CE2 3.56Å; V183-Y187 WeakPolarHBondContact O-CD2 3.2Å; V183-Y187 PolarHBondContact O-N 3.35Å; P184-Y187 PolarHBondContact O-N 2.99Å; T185-Y187 PolarHBondContact O-N 2.96Å; Y187-N190 PolarHBondContact O-N 3.27Å; Y187-D191 WeakPolarHBondContact O-CB 3.39Å; Y187-D191 VanDerWaalsContact O-CG 3.23Å; Y187-D191 PolarHBondContact O-N 3.38Å; Y187-Y224 HydrophobicContact CD1-CD1 4.14Å; Y187-Y224 HydrophobicContact CD1-CE1 4.42Å; Y187-Y224 HydrophobicContact CD2-CE1 4.07Å; Y187-Y224 AromaticContact CE1-CD1 3.98Å; Y187-Y224 HydrophobicContact CE1-CD1 3.98Å; Y187-Y224 HydrophobicContact CE1-CE1 4.08Å; Y187-Y224 HydrophobicContact CE2-CD1 4.36Å; Y187-Y224 AromaticContact CE2-CE1 3.71Å; Y187-Y224 HydrophobicContact CE2-CE1 3.71Å; Y187-Y224 HydrophobicContact CG-CD1 4.39Å; Y187-Y224 HydrophobicContact CG-CE1 4.41Å; Y187-Y224 AromaticContact CZ-CE1 3.7Å; Y187-R225 HydrophobicContact CD1-CG 3.97Å; Y187-R225 HydrophobicContact CE1-CG 3.95Å; Y187-Y228 WeakPolarHBondContact CE1-O 3.21Å; Y187-Y228 WeakPolarHBondContact OH-CB 3.29Å; Y187-Y228 PolarHBondContact OH-O 3.41Å; Y187-L230 PolarHBondContact OH-O 3.41Å; Y187-P231 HydrophobicContact CE2-CB 4.18Å
188L89.9Confident87.3Confident5 Ų516 Ų163%0.02610%0.098CC..Hα-helixtrans-59.9-51.5177.317362.3000111.9L161 P163 A166 P184 T185 N190 D191 A192 L311 Y314L161-L188 HydrophobicContact CB-CD2 4.24Å; L161-L188 HydrophobicContact CD2-CD2 3.87Å; L161-L188 HydrophobicContact CD2-CG 4.11Å; L161-L188 HydrophobicContact CG-CD2 3.79Å; L161-L188 HydrophobicContact CG-CG 4.42Å; P163-L188 HydrophobicContact CG-CD1 4.34Å; A166-L188 HydrophobicContact CB-CD1 3.98Å; A166-L188 HydrophobicContact CB-CD2 4.48Å; A166-L188 HydrophobicContact CB-CG 4.21Å; P184-L188 WeakPolarHBondContact O-CB 3.28Å; P184-L188 PolarHBondContact O-N 3.44Å; T185-L188 PolarHBondContact O-N 3.39Å; L188-N190 VanDerWaalsContact C-N 3.35Å; L188-N190 PolarHBondContact O-N 3.07Å; L188-D191 PolarHBondContact O-N 3.44Å; L188-A192 VanDerWaalsContact O-CB 3.3Å; L188-A192 WeakPolarHBondContact O-CB 3.14Å; L188-A192 PolarHBondContact O-N 3.46Å; L188-L311 HydrophobicContact CD1-CB 4.48Å; L188-L311 HydrophobicContact CD1-CD1 4.02Å; L188-L311 HydrophobicContact CD1-CD2 4.19Å; L188-L311 HydrophobicContact CD1-CG 4.46Å; L188-Y314 HydrophobicContact CB-CD1 4.47Å; L188-Y314 HydrophobicContact CB-CD2 3.75Å; L188-Y314 HydrophobicContact CB-CE2 3.96Å; L188-Y314 HydrophobicContact CB-CG 4.06Å; L188-Y314 HydrophobicContact CD1-CD2 3.64Å; L188-Y314 HydrophobicContact CD1-CE2 3.37Å; L188-Y314 HydrophobicContact CG-CD2 4.21Å; L188-Y314 HydrophobicContact CG-CE2 4.26Å
189V91.1Very high87.2Confident0 Ų016.8 Ų16.80%010%0.104CC..Hα-helixtrans-62.7-43.1179.2176.30000110.5V88 L161 V176 D178 T185 A192 C193 L200V88-V189 HydrophobicContact CB-CG2 4.45Å; V88-V189 HydrophobicContact CG1-CG2 4.05Å; V88-V189 HydrophobicContact CG2-CG2 4.19Å; L161-V189 HydrophobicContact CD2-CG2 3.27Å; V176-V189 HydrophobicContact CG1-CG1 3.78Å; D178-V189 HydrophobicContact CB-CG1 4.29Å; T185-V189 HydrophobicContact CG2-CG2 3.93Å; T185-V189 WeakPolarHBondContact O-CB 3.3Å; T185-V189 VanDerWaalsContact O-CG2 3.27Å; T185-V189 WeakPolarHBondContact O-CG2 3.47Å; T185-V189 PolarHBondContact O-N 3.44Å; V189-A192 PolarHBondContact O-N 2.91Å; V189-C193 VanDerWaalsContact O-CB 3.27Å; V189-C193 WeakPolarHBondContact O-CB 3.19Å; V189-C193 PolarHBondContact O-N 2.92Å; V189-C193 PolarHBondContact O-SG 3.5Å; V189-L200 HydrophobicContact CG1-CD1 3.55Å; V189-L200 HydrophobicContact CG1-CD2 4.12Å; V189-L200 HydrophobicContact CG1-CG 4.48Å
190N90.6Very high87.3Confident1 Ų116.5 Ų16.51%0.00510%0.102CC..Hα-helixtrans-56.5-53.7176.4171.878.3000111.9R186 Y187 L188 A192 C193 V194 L200 C223 Y224R186-N190 VanDerWaalsContact O-CB 3.23Å; R186-N190 WeakPolarHBondContact O-CB 3.4Å; R186-N190 PolarHBondContact O-N 3.33Å; Y187-N190 PolarHBondContact O-N 3.27Å; L188-N190 VanDerWaalsContact C-N 3.35Å; L188-N190 PolarHBondContact O-N 3.07Å; N190-A192 VanDerWaalsContact C-N 3.34Å; N190-A192 PolarHBondContact O-N 3.05Å; N190-C193 PolarHBondContact O-N 3.15Å; N190-V194 WeakPolarHBondContact O-CG2 3.35Å; N190-V194 PolarHBondContact O-N 3.07Å; N190-L200 HydrophobicContact CB-CD2 4.11Å; N190-C223 WeakPolarHBondContact OD1-CB 3Å; N190-Y224 VanDerWaalsContact CG-CB 3.41Å; N190-Y224 VanDerWaalsContact OD1-CB 3.29Å; N190-Y224 WeakPolarHBondContact OD1-CB 3.27Å; N190-Y224 PolarHBondContact OD1-N 3.41Å
191D89.9Confident87.7Confident0 Ų016.2 Ų16.20%010%0.1CC..Hα-helixtrans-66-41.5-174.7-66.8-0.1000110.5Y187 L188 C193 V194 L195 R225 V301 L311 Y314Y187-D191 WeakPolarHBondContact O-CB 3.39Å; Y187-D191 VanDerWaalsContact O-CG 3.23Å; Y187-D191 PolarHBondContact O-N 3.38Å; L188-D191 PolarHBondContact O-N 3.44Å; D191-C193 PolarHBondContact O-N 3.44Å; D191-V194 PolarHBondContact O-N 3.39Å; D191-L195 WeakPolarHBondContact O-CB 3.45Å; D191-L195 VanDerWaalsContact O-CG 3.23Å; D191-L195 WeakPolarHBondContact O-CG 3.48Å; D191-L195 PolarHBondContact O-N 2.92Å; D191-R225 IonicContact OD1-CZ 2.96Å; D191-R225 IonicContact OD1-NE 3.85Å; D191-R225 PolarHBondContact OD1-NE 3.24Å; D191-R225 IonicContact OD2-CZ 2.65Å; D191-R225 VanDerWaalsContact OD2-CZ 3.28Å; D191-R225 IonicContact OD2-NE 3.84Å; D191-R225 PolarHBondContact OD2-NE 3Å; D191-R225 IonicContact OD2-NH2 3.17Å; D191-R225 PolarHBondContact OD2-NH2 3.47Å; D191-V301 WeakPolarHBondContact OD1-CG2 3.47Å; D191-L311 HydrophobicContact CB-CD2 3.95Å; D191-Y314 WeakPolarHBondContact CB-OH 3.49Å; D191-Y314 VanDerWaalsContact CG-OH 3.29Å; D191-Y314 VanDerWaalsContact OD2-CE1 3.27Å; D191-Y314 WeakPolarHBondContact OD2-CE1 3.4Å; D191-Y314 PolarHBondContact OD2-OH 3.09Å
192A90.2Very high88.4Confident0 Ų014.7 Ų14.70%09%0.093CC..Hα-helixtrans-63.4-38.3176.200000112.9A166 I170 L188 V189 N190 S196 L311A166-A192 HydrophobicContact CB-CB 4.18Å; I170-A192 HydrophobicContact CD1-CB 3.4Å; I170-A192 VanDerWaalsContact CD1-CB 3.4Å; L188-A192 VanDerWaalsContact O-CB 3.3Å; L188-A192 WeakPolarHBondContact O-CB 3.14Å; L188-A192 PolarHBondContact O-N 3.46Å; V189-A192 PolarHBondContact O-N 2.91Å; N190-A192 VanDerWaalsContact C-N 3.34Å; N190-A192 PolarHBondContact O-N 3.05Å; A192-S196 VanDerWaalsContact O-CB 3.24Å; A192-S196 WeakPolarHBondContact O-CB 3.34Å; A192-S196 PolarHBondContact O-N 2.9Å; A192-S196 PolarHBondContact O-OG 2.83Å; A192-L311 HydrophobicContact CB-CD1 4.14Å; A192-L311 HydrophobicContact CB-CD2 4.01Å
193C91.1Very high88.9Confident1 Ų114.5 Ų14.51%0.0079%0.092CC..Hα-helixtrans-66.3-41.6174.3-76.20000112.2V189 N190 D191 S196 G197 K198 L200 N217V189-C193 VanDerWaalsContact O-CB 3.27Å; V189-C193 WeakPolarHBondContact O-CB 3.19Å; V189-C193 PolarHBondContact O-N 2.92Å; V189-C193 PolarHBondContact O-SG 3.5Å; N190-C193 PolarHBondContact O-N 3.15Å; D191-C193 PolarHBondContact O-N 3.44Å; C193-S196 PolarHBondContact O-N 3.15Å; C193-G197 PolarHBondContact O-N 3.46Å; C193-K198 PolarHBondContact O-N 3.34Å; C193-L200 HydrophobicContact CB-CB 4.09Å; C193-N217 PolarHBondContact O-ND2 3.33Å; C193-N217 VanDerWaalsContact O-ND2 3.16Å
194V88.8Confident89Confident22 Ų2214.5 Ų14.513%0.1339%0.092CC..Hα-helixtrans-65.1-46.9176.4177.60000110.7N190 D191 S196 G197 N217 C223 V301 C302N190-V194 WeakPolarHBondContact O-CG2 3.35Å; N190-V194 PolarHBondContact O-N 3.07Å; D191-V194 PolarHBondContact O-N 3.39Å; V194-S196 VanDerWaalsContact C-N 3.26Å; V194-S196 PolarHBondContact O-N 2.82Å; V194-G197 PolarHBondContact O-N 3.02Å; V194-G197 VanDerWaalsContact O-N 3.16Å; V194-N217 HydrophobicContact CG2-CB 4.33Å; V194-C223 HydrophobicContact CG2-CB 3.7Å; V194-V301 HydrophobicContact CB-CG1 3.72Å; V194-V301 HydrophobicContact CG1-CG1 3.63Å; V194-V301 HydrophobicContact CG2-CG1 4.28Å; V194-C302 HydrophobicContact CG1-CB 3.99Å
195L87.5Confident88.7Confident66 Ų6614.9 Ų14.935%0.34610%0.096SC..Hα-helixtrans-62.8-32178.3-68.3173.2000112.6L167 D191 L311L167-L195 HydrophobicContact CD1-CB 4.05Å; D191-L195 WeakPolarHBondContact O-CB 3.45Å; D191-L195 VanDerWaalsContact O-CG 3.23Å; D191-L195 WeakPolarHBondContact O-CG 3.48Å; D191-L195 PolarHBondContact O-N 2.92Å; L195-L311 HydrophobicContact CD1-CD2 3.96Å; L195-L311 HydrophobicContact CD1-CG 4.33Å
196S87.6Confident87.9Confident24 Ų2416.7 Ų16.717%0.16810%0.104CC..THydrogen-bonded Turntrans-91.2-2.3178.4-53.90000113.9L167 A192 C193 V194 K198L167-S196 VanDerWaalsContact CD1-OG 3.27Å; L167-S196 WeakPolarHBondContact CD1-OG 3.24Å; A192-S196 VanDerWaalsContact O-CB 3.24Å; A192-S196 WeakPolarHBondContact O-CB 3.34Å; A192-S196 PolarHBondContact O-N 2.9Å; A192-S196 PolarHBondContact O-OG 2.83Å; C193-S196 PolarHBondContact O-N 3.15Å; V194-S196 VanDerWaalsContact C-N 3.26Å; V194-S196 PolarHBondContact O-N 2.82Å; S196-K198 VanDerWaalsContact C-N 3.26Å; S196-K198 PolarHBondContact O-N 3.33Å
197G87.7Confident87.1Confident57 Ų5722 Ų2259%0.58812%0.124SC*.THydrogen-bonded Turntrans63.627.5-176.400000114.3C193 V194C193-G197 PolarHBondContact O-N 3.46Å; V194-G197 PolarHBondContact O-N 3.02Å; V194-G197 VanDerWaalsContact O-N 3.16Å
198K91.2Very high85.8Confident41 Ų4125.3 Ų25.318%0.17814%0.141CC..  trans-98.8142.1-177.7-57.7-60.4-172.6161.30111.6I170 Q171 Y173 C193 S196 N217I170-K198 HydrophobicContact CG2-CB 4.23Å; I170-K198 HydrophobicContact CG2-CG 3.93Å; Q171-K198 PolarHBondContact O-NZ 3.2Å; Y173-K198 WeakPolarHBondContact O-CD 3.46Å; Y173-K198 WeakPolarHBondContact O-CE 3.27Å; Y173-K198 PolarHBondContact O-NZ 2.82Å; C193-K198 PolarHBondContact O-N 3.34Å; S196-K198 VanDerWaalsContact C-N 3.26Å; S196-K198 PolarHBondContact O-N 3.33Å; K198-N217 PolarHBondContact O-ND2 3.02Å
199P92.6Very high84.3Confident18 Ų1829.6 Ų29.612%0.11716%0.161CC..  trans-68.7140.3171.228.8-33.3000111.1D174 I175 V176 Y218 I265D174-P199 VanDerWaalsContact O-CD 3.25Å; D174-P199 WeakPolarHBondContact O-CD 2.92Å; D174-P199 WeakPolarHBondContact O-CG 3.1Å; I175-P199 HydrophobicContact CB-CG 4.4Å; I175-P199 HydrophobicContact CG1-CG 4.05Å; I175-P199 HydrophobicContact CG2-CG 4.4Å; V176-P199 PolarHBondContact N-O 3.39Å; V176-P199 VanDerWaalsContact N-O 3.08Å; P199-Y218 HydrophobicContact CB-CD2 3.93Å; P199-I265 HydrophobicContact CG-CG2 4.34Å
200L92.8Very high82.6Confident2 Ų229.7 Ų29.71%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-119.6122.3178.6171.861.6000109.8V176 D178 V189 N190 C193 V215 Y216V176-L200 HydrophobicContact CB-CD1 4.24Å; V176-L200 HydrophobicContact CG1-CD1 4.03Å; V176-L200 CarbonylContact O-C 3.6Å; V176-L200 WeakPolarHBondContact O-CA 3.46Å; D178-L200 HydrophobicContact CB-CD1 3.77Å; V189-L200 HydrophobicContact CG1-CD1 3.55Å; V189-L200 HydrophobicContact CG1-CD2 4.12Å; V189-L200 HydrophobicContact CG1-CG 4.48Å; N190-L200 HydrophobicContact CB-CD2 4.11Å; C193-L200 HydrophobicContact CB-CB 4.09Å; L200-V215 CarbonylContact O-C 3.55Å; L200-V215 WeakPolarHBondContact O-CA 3.29Å; L200-Y216 HydrophobicContact CD2-CD2 4.13Å; L200-Y216 HydrophobicContact CG-CD2 4.29Å; L200-Y216 PolarHBondContact N-O 3.44Å; L200-Y216 PolarHBondContact O-N 3.43Å
201V92.7Very high81.3Confident0 Ų033.4 Ų33.40%018%0.179CC..EExtended strand (participates in β ladder)trans-103108169.4-168.60000107.9I175 V176 A177 D178 L213 V215 Q258 E261 V262 I265I175-V201 HydrophobicContact CG2-CG2 4.36Å; V176-V201 PolarHBondContact O-N 3.06Å; A177-V201 WeakPolarHBondContact CA-O 3.14Å; D178-V201 PolarHBondContact N-O 3.06Å; V201-L213 HydrophobicContact CG1-CD1 3.85Å; V201-V215 HydrophobicContact CG1-CG2 4.3Å; V201-V215 HydrophobicContact CG2-CG1 4.45Å; V201-V215 HydrophobicContact CG2-CG2 4.18Å; V201-Q258 HydrophobicContact CB-CG 4.33Å; V201-Q258 HydrophobicContact CG1-CG 3.72Å; V201-Q258 PolarHBondContact O-NE2 3.44Å; V201-E261 HydrophobicContact CG1-CB 4.03Å; V201-V262 HydrophobicContact CB-CG2 4.11Å; V201-V262 HydrophobicContact CG1-CG2 4.48Å; V201-V262 HydrophobicContact CG2-CG2 3.83Å; V201-I265 HydrophobicContact CG2-CD1 3.64Å
202S90.8Very high80.1Confident9 Ų934.7 Ų34.76%0.06319%0.185CC..EExtended strand (participates in β ladder)trans-110.3136.2-179.1177.60000110.2D178 L213 T214D178-S202 WeakPolarHBondContact OD2-CB 3.43Å; D178-S202 PolarHBondContact OD2-OG 2.97Å; S202-L213 WeakPolarHBondContact O-CA 3.31Å; S202-T214 PolarHBondContact N-O 3.1Å; S202-T214 VanDerWaalsContact N-O 3.12Å; S202-T214 PolarHBondContact O-N 3.46Å
203A87.6Confident79.3Confident0 Ų034.8 Ų34.80%019%0.185CC..EExtended strand (participates in β ladder)trans-133.2147.6177.800000109.7L93 D178 Q212 L213 Q258L93-A203 WeakPolarHBondContact CD1-O 3.37Å; L93-A203 HydrophobicContact CD2-CB 4.38Å; D178-A203 PolarHBondContact O-N 2.9Å; A203-Q212 VanDerWaalsContact CA-O 3.32Å; A203-Q212 WeakPolarHBondContact CA-O 3.29Å; A203-L213 HydrophobicContact CB-CD1 3.98Å; A203-Q258 HydrophobicContact CB-CB 4.33Å; A203-Q258 HydrophobicContact CB-CG 4.38Å
204S82.9Confident78.9Confident15 Ų1534.8 Ų34.811%0.10519%0.185CC..  trans-141.5158.3170.278.10000113.4R186 Q211 Q212R186-S204 PolarHBondContact NH1-OG 3.32Å; S204-Q211 CarbonylContact C-O 3.59Å; S204-Q211 VanDerWaalsContact O-O 3.1Å; S204-Q211 PolarHBondContact OG-O 3.34Å; S204-Q212 PolarHBondContact N-O 2.6Å; S204-Q212 VanDerWaalsContact N-O 3.08Å
205A76.2Confident78.3Confident10 Ų1033.7 Ų33.78%0.08318%0.179CC..  trans-143.7131.8-179.300000109.7L93 C240 V250 P251L93-A205 HydrophobicContact CD2-CB 4.48Å; A205-C240 PolarHBondContact O-SG 3.38Å; A205-V250 HydrophobicContact CB-CG1 4.08Å; A205-P251 HydrophobicContact CB-CB 4.36Å; A205-P251 HydrophobicContact CB-CG 4.04Å
206L71.3Confident78.1Confident45 Ų4530.8 Ų30.824%0.23616%0.163CC..BIsolated β-bridgetrans-145.5133.6176.2-174.168.4000109.8M208 E209 T238L206-M208 PolarHBondContact O-N 2.62Å; L206-E209 PolarHBondContact N-O 2.9Å; L206-E209 CarbonylContact O-C 3.53Å; L206-E209 PolarHBondContact O-N 2.69Å; L206-E209 VanDerWaalsContact O-N 3.1Å; L206-T238 WeakPolarHBondContact CD2-OG1 3.45Å
207R70.4Confident77.8Confident145 Ų14531.8 Ų31.855%0.54717%0.167SC..BIsolated β-bridgetrans53.8-120.4179.9-65.8177.3175.31773.8113G243 G244 L246R207-G243 WeakPolarHBondContact CG-O 3.41Å; R207-G243 PolarHBondContact NE-O 2.87Å; R207-G244 WeakPolarHBondContact CA-O 3.43Å; R207-G244 PolarHBondContact N-O 3.42Å; R207-L246 PolarHBondContact O-N 2.87Å
208M58.9Low77.4Confident70 Ų7031.6 Ų31.635%0.34515%0.149SC..THydrogen-bonded Turntrans-108.94.3180-70.5-69.7-69.100111.8L206 L246 A282 Q283L206-M208 PolarHBondContact O-N 2.62Å; M208-L246 HydrophobicContact CE-CD2 4.25Å; M208-L246 HydrophobicContact SD-CB 3.67Å; M208-L246 HydrophobicContact SD-CD1 4.4Å; M208-L246 HydrophobicContact SD-CD2 3.75Å; M208-L246 HydrophobicContact SD-CG 4.14Å; M208-A282 VanDerWaalsContact O-CB 3.3Å; M208-A282 WeakPolarHBondContact O-CB 3.4Å; M208-A282 PolarHBondContact O-N 3.05Å; M208-A282 VanDerWaalsContact O-N 3.11Å; M208-Q283 HydrophobicContact CE-CB 4.31Å
209E59.1Low76.6Confident96 Ų9634.2 Ų34.245%0.44917%0.171SC..EExtended strand (participates in β ladder)trans-113.4106.8180-62-176.8172.100108L206 Q211L206-E209 PolarHBondContact N-O 2.9Å; L206-E209 CarbonylContact O-C 3.53Å; L206-E209 PolarHBondContact O-N 2.69Å; L206-E209 VanDerWaalsContact O-N 3.1Å; E209-Q211 HydrophobicContact CB-CG 3.7Å; E209-Q211 PolarHBondContact O-N 3.12Å; E209-Q211 PolarHBondContact OE2-NE2 2.93Å
210G55.5Low75.6Confident1 Ų135.9 Ų35.91%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-72.477.8170.800000109.1Q212 F280G210-Q212 PolarHBondContact O-N 3.36Å; G210-F280 CarbonylContact C-O 3.6Å; G210-F280 WeakPolarHBondContact CA-O 3.27Å; G210-F280 PolarHBondContact N-O 3.11Å; G210-F280 PolarHBondContact O-N 3.14Å
211Q62.4Low74.9Confident80 Ų8036 Ų3637%0.37419%0.193SC..EExtended strand (participates in β ladder)trans-87.3107.1-173.5-64.1-165.1-4.500109.3S204 E209S204-Q211 CarbonylContact C-O 3.59Å; S204-Q211 VanDerWaalsContact O-O 3.1Å; S204-Q211 PolarHBondContact OG-O 3.34Å; E209-Q211 HydrophobicContact CB-CG 3.7Å; E209-Q211 PolarHBondContact O-N 3.12Å; E209-Q211 PolarHBondContact OE2-NE2 2.93Å
212Q65.1Low74.6Confident27 Ų2736 Ų3613%0.12619%0.193CC..EExtended strand (participates in β ladder)trans90.6111.2154.9-53.2-174.7-10.600116.1A203 S204 G210 Y228 L277 L278A203-Q212 VanDerWaalsContact CA-O 3.32Å; A203-Q212 WeakPolarHBondContact CA-O 3.29Å; S204-Q212 PolarHBondContact N-O 2.6Å; S204-Q212 VanDerWaalsContact N-O 3.08Å; G210-Q212 PolarHBondContact O-N 3.36Å; Q212-Y228 PolarHBondContact NE2-OH 2.7Å; Q212-Y228 PolarHBondContact OE1-OH 2.98Å; Q212-L277 HydrophobicContact CB-CD1 3.41Å; Q212-L277 VanDerWaalsContact CB-CD1 3.41Å; Q212-L277 HydrophobicContact CB-CG 4.25Å; Q212-L277 HydrophobicContact CG-CD1 3.47Å; Q212-L277 VanDerWaalsContact CG-CD1 3.47Å; Q212-L277 HydrophobicContact CG-CD2 3.92Å; Q212-L277 HydrophobicContact CG-CG 3.9Å; Q212-L278 CarbonylContact C-O 3.53Å; Q212-L278 VanDerWaalsContact CA-O 3.26Å; Q212-L278 WeakPolarHBondContact CA-O 3.44Å; Q212-L278 PolarHBondContact N-O 2.81Å
213L74.3Confident74.4Confident1 Ų135.7 Ų35.71%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-118.2127.3155.8173.374000108.5V201 S202 A203 M254 F257 Q258 E261 L273 L278V201-L213 HydrophobicContact CG1-CD1 3.85Å; S202-L213 WeakPolarHBondContact O-CA 3.31Å; A203-L213 HydrophobicContact CB-CD1 3.98Å; L213-M254 HydrophobicContact CB-CE 3.8Å; L213-F257 HydrophobicContact CD2-CB 3.54Å; L213-Q258 HydrophobicContact CD1-CB 4.12Å; L213-Q258 HydrophobicContact CD1-CG 4.36Å; L213-E261 HydrophobicContact CD2-CG 4.06Å; L213-L273 HydrophobicContact CD2-CD1 3.91Å; L213-L273 HydrophobicContact CG-CD1 4.49Å; L213-L278 HydrophobicContact CB-CB 4.34Å; L213-L278 PolarHBondContact N-O 2.9Å; L213-L278 PolarHBondContact O-N 3.39Å
214T80.8Confident74.3Confident1 Ų136.6 Ų36.61%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-146145.8174.4-69.10000111S202 Y216 Q276 L277 L292S202-T214 PolarHBondContact N-O 3.1Å; S202-T214 VanDerWaalsContact N-O 3.12Å; S202-T214 PolarHBondContact O-N 3.46Å; T214-Y216 HydrophobicContact CG2-CD1 3.73Å; T214-Y216 HydrophobicContact CG2-CE1 3.42Å; T214-Y216 VanDerWaalsContact CG2-CE1 3.42Å; T214-Y216 HydrophobicContact CG2-CE2 4.3Å; T214-Y216 HydrophobicContact CG2-CG 4.27Å; T214-Q276 WeakPolarHBondContact CB-O 3.48Å; T214-Q276 WeakPolarHBondContact CG2-O 3.28Å; T214-Q276 PolarHBondContact OG1-O 2.97Å; T214-L277 WeakPolarHBondContact OG1-CA 3.36Å; T214-L277 WeakPolarHBondContact OG1-CD1 3.47Å; T214-L292 HydrophobicContact CG2-CD1 3.64Å
215V77.6Confident74.4Confident0 Ų036.5 Ų36.50%019%0.192CC..EExtended strand (participates in β ladder)trans-94.7114.9166.6-174.90000109.4L200 V201 Y218 E261 I265 I272 L273L200-V215 CarbonylContact O-C 3.55Å; L200-V215 WeakPolarHBondContact O-CA 3.29Å; V201-V215 HydrophobicContact CG1-CG2 4.3Å; V201-V215 HydrophobicContact CG2-CG1 4.45Å; V201-V215 HydrophobicContact CG2-CG2 4.18Å; V215-Y218 HydrophobicContact CG1-CG 4.27Å; V215-E261 HydrophobicContact CG2-CB 4.1Å; V215-E261 HydrophobicContact CG2-CG 4.36Å; V215-I265 HydrophobicContact CG1-CD1 3.79Å; V215-I265 HydrophobicContact CG2-CD1 4.31Å; V215-I272 HydrophobicContact CB-CG2 4.06Å; V215-I272 HydrophobicContact CG1-CG2 4.12Å; V215-I272 HydrophobicContact CG2-CG2 3.73Å; V215-L273 PolarHBondContact N-O 3.23Å
216Y83Confident74.7Confident4 Ų436.7 Ų36.72%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-97.8157.3177-60.4-63.8000111.6L200 T214 Y218 P222 Y224 L227L200-Y216 HydrophobicContact CD2-CD2 4.13Å; L200-Y216 HydrophobicContact CG-CD2 4.29Å; L200-Y216 PolarHBondContact N-O 3.44Å; L200-Y216 PolarHBondContact O-N 3.43Å; T214-Y216 HydrophobicContact CG2-CD1 3.73Å; T214-Y216 HydrophobicContact CG2-CE1 3.42Å; T214-Y216 VanDerWaalsContact CG2-CE1 3.42Å; T214-Y216 HydrophobicContact CG2-CE2 4.3Å; T214-Y216 HydrophobicContact CG2-CG 4.27Å; Y216-Y218 PolarHBondContact O-N 3.18Å; Y216-Y218 VanDerWaalsContact O-N 3.1Å; Y216-P222 WeakPolarHBondContact CA-O 3.4Å; Y216-P222 WeakPolarHBondContact CD1-O 3.49Å; Y216-Y224 AromaticContact CE2-CD2 3.89Å; Y216-Y224 HydrophobicContact CE2-CD2 3.89Å; Y216-Y224 AromaticContact CZ-CD2 3.81Å; Y216-L227 HydrophobicContact CE1-CD1 3.95Å; Y216-L227 HydrophobicContact CE1-CD2 4.2Å
217N81.3Confident75.1Confident45 Ų4536.3 Ų36.324%0.24119%0.19CC..SBendtrans52.931.2174.9-161.941.3000114.9C193 V194 K198 P222C193-N217 PolarHBondContact O-ND2 3.33Å; C193-N217 VanDerWaalsContact O-ND2 3.16Å; V194-N217 HydrophobicContact CG2-CB 4.33Å; K198-N217 PolarHBondContact O-ND2 3.02Å; N217-P222 PolarHBondContact N-O 3Å
218Y78.9Confident75.6Confident54 Ų5433.3 Ų33.321%0.21218%0.18CC..SBendtrans-117.3131.5177.5-171.6-103.1000110.3P199 V215 Y216 G220 G221 I265 I272P199-Y218 HydrophobicContact CB-CD2 3.93Å; V215-Y218 HydrophobicContact CG1-CG 4.27Å; Y216-Y218 PolarHBondContact O-N 3.18Å; Y216-Y218 VanDerWaalsContact O-N 3.1Å; Y218-G220 VanDerWaalsContact C-N 3.27Å; Y218-G220 PolarHBondContact O-N 3.38Å; Y218-G220 VanDerWaalsContact O-N 3.12Å; Y218-G221 PolarHBondContact O-N 3.3Å; Y218-I265 HydrophobicContact CD2-CG2 4.39Å; Y218-I265 HydrophobicContact CE2-CG1 4.46Å; Y218-I265 HydrophobicContact CE2-CG2 3.88Å; Y218-I272 HydrophobicContact CD1-CD1 4.19Å; Y218-I272 HydrophobicContact CD1-CG2 4.31Å; Y218-I272 HydrophobicContact CE1-CB 4.46Å; Y218-I272 HydrophobicContact CE1-CD1 3.3Å; Y218-I272 HydrophobicContact CE1-CG1 4.46Å; Y218-I272 HydrophobicContact CE1-CG2 4.45Å; Y218-I272 WeakPolarHBondContact OH-CD1 3.49Å
219C74.4Confident76.4Confident95 Ų9534 Ų3464%0.64219%0.189SC*.THydrogen-bonded Turntrans46.941.3177.5-66.30000115
220G71.4Confident77.1Confident54 Ų5436 Ų3656%0.55720%0.202SC*.THydrogen-bonded Turntrans78.516.9-178.300000114.8Y218Y218-G220 VanDerWaalsContact C-N 3.27Å; Y218-G220 PolarHBondContact O-N 3.38Å; Y218-G220 VanDerWaalsContact O-N 3.12Å
221G78Confident77.8Confident4 Ų437.2 Ų37.24%0.04121%0.21CC..PPolyproline II helixtrans-66.6163.117300000114Y218Y218-G221 PolarHBondContact O-N 3.3Å
222P86.4Confident77.9Confident0 Ų036 Ų360%021%0.209CC..PPolyproline II helixtrans-64.9161.8175.429.3-36.4000111.5Y216 N217 C226 L227 L292Y216-P222 WeakPolarHBondContact CA-O 3.4Å; Y216-P222 WeakPolarHBondContact CD1-O 3.49Å; N217-P222 PolarHBondContact N-O 3Å; P222-C226 HydrophobicContact CB-CB 3.74Å; P222-L227 HydrophobicContact CB-CD1 3.96Å; P222-L227 HydrophobicContact CG-CD1 4.08Å; P222-L292 HydrophobicContact CG-CB 4.49Å; P222-L292 HydrophobicContact CG-CD1 4.48Å
223C86.7Confident77.6Confident2 Ų238.5 Ų38.51%0.01423%0.228CC..PPolyproline II helixtrans-95.7169.5163.574.20000110.3N190 V194 R225 C226 L227 C299 C302N190-C223 WeakPolarHBondContact OD1-CB 3Å; V194-C223 HydrophobicContact CG2-CB 3.7Å; C223-R225 VanDerWaalsContact C-N 3.25Å; C223-R225 PolarHBondContact O-N 2.99Å; C223-C226 VanDerWaalsContact O-CB 3.29Å; C223-C226 WeakPolarHBondContact O-CB 3.36Å; C223-C226 PolarHBondContact O-N 3.43Å; C223-C226 PolarHBondContact SG-N 3.43Å; C223-L227 WeakPolarHBondContact O-CD1 3.39Å; C223-C299 PolarHBondContact SG-SG 3.22Å; C223-C302 HydrophobicContact CB-CB 4.46Å; C223-C302 VanDerWaalsContact SG-SG 3.6Å
224Y85.4Confident76.8Confident19 Ų1941.4 Ų41.48%0.07525%0.246CC..Hα-helixtrans-55.7-40.9176.6-172-105.5000111.9Y187 N190 Y216 C226 L227 Y228Y187-Y224 HydrophobicContact CD1-CD1 4.14Å; Y187-Y224 HydrophobicContact CD1-CE1 4.42Å; Y187-Y224 HydrophobicContact CD2-CE1 4.07Å; Y187-Y224 AromaticContact CE1-CD1 3.98Å; Y187-Y224 HydrophobicContact CE1-CD1 3.98Å; Y187-Y224 HydrophobicContact CE1-CE1 4.08Å; Y187-Y224 HydrophobicContact CE2-CD1 4.36Å; Y187-Y224 AromaticContact CE2-CE1 3.71Å; Y187-Y224 HydrophobicContact CE2-CE1 3.71Å; Y187-Y224 HydrophobicContact CG-CD1 4.39Å; Y187-Y224 HydrophobicContact CG-CE1 4.41Å; Y187-Y224 AromaticContact CZ-CE1 3.7Å; N190-Y224 VanDerWaalsContact CG-CB 3.41Å; N190-Y224 VanDerWaalsContact OD1-CB 3.29Å; N190-Y224 WeakPolarHBondContact OD1-CB 3.27Å; N190-Y224 PolarHBondContact OD1-N 3.41Å; Y216-Y224 AromaticContact CE2-CD2 3.89Å; Y216-Y224 HydrophobicContact CE2-CD2 3.89Å; Y216-Y224 AromaticContact CZ-CD2 3.81Å; Y224-C226 PolarHBondContact O-N 3.1Å; Y224-L227 PolarHBondContact O-N 2.76Å; Y224-Y228 HydrophobicContact CD2-CD2 4.2Å; Y224-Y228 HydrophobicContact CE1-CD2 4.16Å; Y224-Y228 AromaticContact CE2-CD2 3.61Å; Y224-Y228 HydrophobicContact CE2-CD2 3.61Å; Y224-Y228 HydrophobicContact CE2-CE2 4.06Å; Y224-Y228 AromaticContact CZ-CD2 3.59Å; Y224-Y228 PolarHBondContact O-N 2.88Å
225R84.9Confident75.4Confident13 Ų1349.7 Ų49.75%0.04929%0.285CS..Hα-helixtrans-65.1-21.8175.9-65.9-165.3-176.5-112.57114.5Y187 D191 C223 L227 Y228 P229 V301Y187-R225 HydrophobicContact CD1-CG 3.97Å; Y187-R225 HydrophobicContact CE1-CG 3.95Å; D191-R225 IonicContact OD1-CZ 2.96Å; D191-R225 IonicContact OD1-NE 3.85Å; D191-R225 PolarHBondContact OD1-NE 3.24Å; D191-R225 IonicContact OD2-CZ 2.65Å; D191-R225 VanDerWaalsContact OD2-CZ 3.28Å; D191-R225 IonicContact OD2-NE 3.84Å; D191-R225 PolarHBondContact OD2-NE 3Å; D191-R225 IonicContact OD2-NH2 3.17Å; D191-R225 PolarHBondContact OD2-NH2 3.47Å; C223-R225 VanDerWaalsContact C-N 3.25Å; C223-R225 PolarHBondContact O-N 2.99Å; R225-L227 PolarHBondContact O-N 2.87Å; R225-Y228 CarbonylContact O-C 3.51Å; R225-P229 VanDerWaalsContact O-CA 3.27Å; R225-P229 WeakPolarHBondContact O-CA 3.49Å; R225-P229 WeakPolarHBondContact O-CG 3.5Å; R225-V301 VanDerWaalsContact CD-CG2 3.44Å; R225-V301 HydrophobicContact CG-CG2 4.48Å
226C83.1Confident74.1Confident14 Ų1454.1 Ų54.110%0.09531%0.312CS..Hα-helixtrans-68.3-26.9171.8-660000112P222 C223 Y224 Q296 C299 C302P222-C226 HydrophobicContact CB-CB 3.74Å; C223-C226 VanDerWaalsContact O-CB 3.29Å; C223-C226 WeakPolarHBondContact O-CB 3.36Å; C223-C226 PolarHBondContact O-N 3.43Å; C223-C226 PolarHBondContact SG-N 3.43Å; Y224-C226 PolarHBondContact O-N 3.1Å; C226-Q296 HydrophobicContact CB-CG 4.15Å; C226-C299 VanDerWaalsContact SG-SG 3.67Å; C226-C302 PolarHBondContact SG-SG 3.12Å
227L80Confident72.7Confident37 Ų3755.7 Ų55.719%0.19432%0.322CS..Hα-helixtrans-90.1-43.2176-75.670.1000110.7Y216 P222 C223 Y224 R225 L292Y216-L227 HydrophobicContact CE1-CD1 3.95Å; Y216-L227 HydrophobicContact CE1-CD2 4.2Å; P222-L227 HydrophobicContact CB-CD1 3.96Å; P222-L227 HydrophobicContact CG-CD1 4.08Å; C223-L227 WeakPolarHBondContact O-CD1 3.39Å; Y224-L227 PolarHBondContact O-N 2.76Å; R225-L227 PolarHBondContact O-N 2.87Å; L227-L292 HydrophobicContact CD1-CD1 4.23Å; L227-L292 HydrophobicContact CD1-CD2 4.5Å; L227-L292 HydrophobicContact CD2-CD1 3.79Å; L227-L292 HydrophobicContact CD2-CD2 3.51Å; L227-L292 HydrophobicContact CD2-CG 4.27Å; L227-L292 HydrophobicContact CG-CD1 4.43Å; L227-L292 HydrophobicContact CG-CD2 3.96Å
228Y80.7Confident71.3Confident83 Ų8356.7 Ų56.733%0.32533%0.33SS..  trans-126.579.7-175.5-60-68.8000111Y187 Q212 Y224 R225 L230Y187-Y228 WeakPolarHBondContact CE1-O 3.21Å; Y187-Y228 WeakPolarHBondContact OH-CB 3.29Å; Y187-Y228 PolarHBondContact OH-O 3.41Å; Q212-Y228 PolarHBondContact NE2-OH 2.7Å; Q212-Y228 PolarHBondContact OE1-OH 2.98Å; Y224-Y228 HydrophobicContact CD2-CD2 4.2Å; Y224-Y228 HydrophobicContact CE1-CD2 4.16Å; Y224-Y228 AromaticContact CE2-CD2 3.61Å; Y224-Y228 HydrophobicContact CE2-CD2 3.61Å; Y224-Y228 HydrophobicContact CE2-CE2 4.06Å; Y224-Y228 AromaticContact CZ-CD2 3.59Å; Y224-Y228 PolarHBondContact O-N 2.88Å; R225-Y228 CarbonylContact O-C 3.51Å; Y228-L230 VanDerWaalsContact C-N 3.34Å; Y228-L230 PolarHBondContact O-N 3.03Å
229P75.3Confident70.2Confident84 Ų8455.7 Ų55.755%0.54533%0.328SS..SBendtrans-64.9-37.5-175.3-21.132.1000113.4R225R225-P229 VanDerWaalsContact O-CA 3.27Å; R225-P229 WeakPolarHBondContact O-CA 3.49Å; R225-P229 WeakPolarHBondContact O-CG 3.5Å
230L74.1Confident69.2Low138 Ų13852.2 Ų52.272%0.72331%0.305SS*.SBendtrans-114.9137.2-179.6-70.2166.9000109.7Y187 Y228Y187-L230 PolarHBondContact OH-O 3.41Å; Y228-L230 VanDerWaalsContact C-N 3.34Å; Y228-L230 PolarHBondContact O-N 3.03Å
231P71.1Confident68.4Low27 Ų2752.2 Ų52.218%0.17530%0.297CS..PPolyproline II helixtrans-65.6140.5176.228.3-32.5000109.2Y187 F317 C318Y187-P231 HydrophobicContact CE2-CB 4.18Å; P231-F317 HydrophobicContact CB-CE1 4.37Å; P231-F317 VanDerWaalsContact CD-CZ 3.47Å; P231-F317 HydrophobicContact CG-CD1 4.04Å; P231-F317 HydrophobicContact CG-CE1 3.67Å; P231-F317 HydrophobicContact CG-CZ 4Å; P231-C318 HydrophobicContact CB-CB 4.42Å
232P64.1Low67.2Low54 Ų5456 Ų5635%0.35132%0.316SS..PPolyproline II helixtrans-61.9151172.626.2-33.1000110.4V237P232-V237 HydrophobicContact CB-CG2 4.21Å; P232-V237 HydrophobicContact CG-CG2 3.67Å
233P58.4Low65.8Low80 Ų8056.9 Ų56.952%0.51932%0.324SS..PPolyproline II helixtrans-53.5136.1176.2-22.430.6000110.8E235 T236P233-E235 PolarHBondContact O-N 2.86Å; P233-T236 HydrophobicContact CB-CG2 4.39Å; P233-T236 PolarHBondContact O-N 3.12Å; P233-T236 PolarHBondContact O-OG1 3.02Å
234P57.6Low64.5Low61 Ų6158.7 Ų58.740%0.39634%0.343SS..G310 helixtrans-53.2-32.4-176.9-2427.9000113.7T236 V237 C318P234-T236 PolarHBondContact O-N 2.79Å; P234-V237 PolarHBondContact O-N 3.21Å; P234-C318 WeakPolarHBondContact CG-O 3.49Å
235E52.1Low63.4Low176 Ų17659 Ų5982%0.82235%0.347SS*.G310 helixtrans-68.2-19.7-179.4-59179176.900113.7P233P233-E235 PolarHBondContact O-N 2.86Å
236T48.9Very low62.3Low92 Ų9262.8 Ų62.856%0.56437%0.368SS*.G310 helixtrans-99.1-10-179.663.10000113.3P233 P234P233-T236 HydrophobicContact CB-CG2 4.39Å; P233-T236 PolarHBondContact O-N 3.12Å; P233-T236 PolarHBondContact O-OG1 3.02Å; P234-T236 PolarHBondContact O-N 2.79Å
237V54.3Low60.9Low37 Ų3762.5 Ų62.522%0.22437%0.368CS..PPolyproline II helixtrans-83.6117.6178.8-178.30000108.6V183 P232 P234V183-V237 HydrophobicContact CG2-CG1 3.7Å; V183-V237 HydrophobicContact CG2-CG2 4.31Å; P232-V237 HydrophobicContact CB-CG2 4.21Å; P232-V237 HydrophobicContact CG-CG2 3.67Å; P234-V237 PolarHBondContact O-N 3.21Å
238T51.3Low59.8Low67 Ų6765.4 Ų65.441%0.41139%0.387SS..PPolyproline II helixtrans-102.2120173.444.50000109L206L206-T238 WeakPolarHBondContact CD2-OG1 3.45Å
239N56.8Low59Low32 Ų3263.6 Ų63.617%0.17139%0.388CS..PPolyproline II helixtrans-77.6159.6175.4-71.60.5000110.4S241 D242 G243N239-S241 PolarHBondContact O-N 2.82Å; N239-D242 PolarHBondContact O-N 3.34Å; N239-G243 PolarHBondContact O-N 3.48Å
240C53Low59.1Low22 Ų2259.6 Ų59.615%0.14936%0.363CS..Hα-helixtrans-57.7-31.7177.9-67.30000113A205 G244 V245A205-C240 PolarHBondContact O-SG 3.38Å; C240-G244 PolarHBondContact O-N 3.5Å; C240-V245 HydrophobicContact CB-CG2 3.84Å
241S53.8Low59.4Low55 Ų5553.4 Ų53.439%0.38533%0.331SS..Hα-helixtrans-66.5-33.1176.345.90000113.5N239N239-S241 PolarHBondContact O-N 2.82Å
242D53.8Low60.1Low84 Ų8452.9 Ų52.945%0.44933%0.33SS..Hα-helixtrans-95.2-34.1-178.2-64.1-28.7000112N239N239-D242 PolarHBondContact O-N 3.34Å
243G56.2Low61.1Low17 Ų1752.9 Ų52.918%0.17533%0.327CS..Hα-helixtrans-79.5-20.8-177.700000114.4R207 N239R207-G243 WeakPolarHBondContact CG-O 3.41Å; R207-G243 PolarHBondContact NE-O 2.87Å; N239-G243 PolarHBondContact O-N 3.48Å
244G59.6Low62.5Low40 Ų4049.1 Ų49.141%0.41230%0.302SS..  trans67.4148.7-164.800000111.6R207 C240R207-G244 WeakPolarHBondContact CA-O 3.43Å; R207-G244 PolarHBondContact N-O 3.42Å; C240-G244 PolarHBondContact O-N 3.5Å
245V61.4Low64Low26 Ų2646.2 Ų46.216%0.15828%0.283CS..BIsolated β-bridgetrans-137.8137177.9-178.30000108.3C240 G247 P251C240-V245 HydrophobicContact CB-CG2 3.84Å; V245-G247 WeakPolarHBondContact O-CA 3.5Å; V245-G247 PolarHBondContact O-N 3.36Å; V245-P251 HydrophobicContact CG1-CG 3.68Å
246L62.5Low65.8Low93 Ų9339.8 Ų39.849%0.48726%0.257SS..  trans-6692.7168.5-170.776.7000108.2R207 M208 V248R207-L246 PolarHBondContact O-N 2.87Å; M208-L246 HydrophobicContact CE-CD2 4.25Å; M208-L246 HydrophobicContact SD-CB 3.67Å; M208-L246 HydrophobicContact SD-CD1 4.4Å; M208-L246 HydrophobicContact SD-CD2 3.75Å; M208-L246 HydrophobicContact SD-CG 4.14Å; L246-V248 PolarHBondContact O-N 2.92Å
247G53.8Low67.8Low8 Ų838.1 Ų38.18%0.08224%0.242CC..THydrogen-bonded Turntrans-59.7-37.8-151.200000116.5H123 R124 V245H123-G247 VanDerWaalsContact CE1-CA 3.47Å; H123-G247 WeakPolarHBondContact CE1-CA 3.22Å; R124-G247 WeakPolarHBondContact CA-O 3.23Å; R124-G247 WeakPolarHBondContact CB-O 3.35Å; V245-G247 WeakPolarHBondContact O-CA 3.5Å; V245-G247 PolarHBondContact O-N 3.36Å
248V57.2Low69.6Low98 Ų9836.3 Ų36.359%0.59423%0.232SC*.THydrogen-bonded Turntrans-87.1-45.7-170.4-173.80000111.7H123 L246 G252H123-V248 WeakPolarHBondContact O-CG2 3.23Å; L246-V248 PolarHBondContact O-N 2.92Å; V248-G252 PolarHBondContact O-N 3.42Å
249A63.9Low71.6Confident44 Ų4433.2 Ų33.236%0.36421%0.212SC..Hα-helixtrans-83.4-47.3-163.600000112.7I253A249-I253 HydrophobicContact CB-CD1 4.34Å; A249-I253 WeakPolarHBondContact O-CB 3.46Å; A249-I253 VanDerWaalsContact O-CD1 3.25Å; A249-I253 WeakPolarHBondContact O-CD1 3.3Å; A249-I253 WeakPolarHBondContact O-CG1 3.45Å; A249-I253 PolarHBondContact O-N 3.31Å
250V77.8Confident73.3Confident1 Ų135.6 Ų35.61%0.00623%0.225CC..Hα-helixtrans-73.8-54.2-169-175.70000112A205 G252 I253 M254 A282A205-V250 HydrophobicContact CB-CG1 4.08Å; V250-G252 VanDerWaalsContact C-N 3.27Å; V250-G252 PolarHBondContact O-N 3.21Å; V250-I253 PolarHBondContact O-N 3.44Å; V250-M254 HydrophobicContact CG1-CG 4.5Å; V250-M254 WeakPolarHBondContact O-CB 3.22Å; V250-M254 VanDerWaalsContact O-CG 3.27Å; V250-M254 WeakPolarHBondContact O-CG 3.31Å; V250-M254 PolarHBondContact O-N 3.01Å; V250-A282 HydrophobicContact CG2-CB 3.65Å
251P80.1Confident75.2Confident7 Ų734.8 Ų34.85%0.04522%0.219CC..Hα-helixtrans-62.2-37.1174.4-20.433.9000112.1L93 A205 V245 M254 G255L93-P251 HydrophobicContact CD2-CB 4.26Å; L93-P251 WeakPolarHBondContact CD2-O 3.27Å; L93-P251 HydrophobicContact CG-CB 4.37Å; A205-P251 HydrophobicContact CB-CB 4.36Å; A205-P251 HydrophobicContact CB-CG 4.04Å; V245-P251 HydrophobicContact CG1-CG 3.68Å; P251-M254 PolarHBondContact O-N 3.05Å; P251-G255 PolarHBondContact O-N 2.73Å
252G84.6Confident77.1Confident16 Ų1632.2 Ų32.217%0.16520%0.201CC..Hα-helixtrans-55.8-56.7175.100000112.6V248 V250 M254 G255 C256V248-G252 PolarHBondContact O-N 3.42Å; V250-G252 VanDerWaalsContact C-N 3.27Å; V250-G252 PolarHBondContact O-N 3.21Å; G252-M254 PolarHBondContact O-N 3.22Å; G252-G255 PolarHBondContact O-N 2.93Å; G252-C256 PolarHBondContact O-N 3.05Å; G252-C256 PolarHBondContact O-SG 3.17Å
253I86.9Confident78.9Confident55 Ų5529.7 Ų29.728%0.28219%0.187SC..Hα-helixtrans-60.1-45.5179.6-71164.4000111A249 V250 G255 C256 F257 F280A249-I253 HydrophobicContact CB-CD1 4.34Å; A249-I253 WeakPolarHBondContact O-CB 3.46Å; A249-I253 VanDerWaalsContact O-CD1 3.25Å; A249-I253 WeakPolarHBondContact O-CD1 3.3Å; A249-I253 WeakPolarHBondContact O-CG1 3.45Å; A249-I253 PolarHBondContact O-N 3.31Å; V250-I253 PolarHBondContact O-N 3.44Å; I253-G255 PolarHBondContact O-N 3.42Å; I253-C256 WeakPolarHBondContact O-CB 3.29Å; I253-C256 PolarHBondContact O-N 3.07Å; I253-F257 HydrophobicContact CG2-CD2 3.85Å; I253-F257 HydrophobicContact CG2-CE2 3.25Å; I253-F257 HydrophobicContact CG2-CZ 3.74Å; I253-F257 WeakPolarHBondContact O-CD2 3.43Å; I253-F257 PolarHBondContact O-N 3.33Å; I253-F280 HydrophobicContact CD1-CE1 4.03Å; I253-F280 HydrophobicContact CD1-CZ 4.23Å; I253-F280 HydrophobicContact CG2-CD1 4.49Å; I253-F280 HydrophobicContact CG2-CE1 4.37Å
254M87.4Confident80.5Confident0 Ų030.7 Ų30.70%019%0.187CC..Hα-helixtrans-65-39.9-179.5-67.3-56.5-68.500111.9L93 L213 V250 P251 G252 C256 F257 Q258 F280L93-M254 HydrophobicContact CD2-CB 3.62Å; L213-M254 HydrophobicContact CB-CE 3.8Å; V250-M254 HydrophobicContact CG1-CG 4.5Å; V250-M254 WeakPolarHBondContact O-CB 3.22Å; V250-M254 VanDerWaalsContact O-CG 3.27Å; V250-M254 WeakPolarHBondContact O-CG 3.31Å; V250-M254 PolarHBondContact O-N 3.01Å; P251-M254 PolarHBondContact O-N 3.05Å; G252-M254 PolarHBondContact O-N 3.22Å; M254-C256 VanDerWaalsContact C-N 3.34Å; M254-F257 PolarHBondContact O-N 2.88Å; M254-F257 HydrophobicContact SD-CD2 4.16Å; M254-Q258 WeakPolarHBondContact O-CB 2.64Å; M254-Q258 PolarHBondContact O-N 3.48Å; M254-F280 HydrophobicContact SD-CB 4.1Å
255G89Confident82Confident0 Ų029.7 Ų29.70%017%0.172CC..Hα-helixtrans-66.7-33.3174.200000113.1P251 G252 I253 Q258 A259P251-G255 PolarHBondContact O-N 2.73Å; G252-G255 PolarHBondContact O-N 2.93Å; I253-G255 PolarHBondContact O-N 3.42Å; G255-Q258 WeakPolarHBondContact O-CB 3.4Å; G255-Q258 PolarHBondContact O-N 3.02Å; G255-A259 PolarHBondContact O-N 3.39Å
256C90.5Very high83.4Confident41 Ų4129 Ų2928%0.27717%0.169SC..Hα-helixtrans-63.8-43.2170.3-64.60000112.2Y100 G252 I253 M254 Q258 A259 L260Y100-C256 HydrophobicContact CE2-CB 4.42Å; Y100-C256 WeakPolarHBondContact CE2-SG 3.42Å; G252-C256 PolarHBondContact O-N 3.05Å; G252-C256 PolarHBondContact O-SG 3.17Å; I253-C256 WeakPolarHBondContact O-CB 3.29Å; I253-C256 PolarHBondContact O-N 3.07Å; M254-C256 VanDerWaalsContact C-N 3.34Å; C256-Q258 VanDerWaalsContact C-N 3.34Å; C256-A259 WeakPolarHBondContact O-CB 3.35Å; C256-A259 PolarHBondContact O-N 2.97Å; C256-L260 PolarHBondContact O-N 3.29Å
257F90.6Very high84.7Confident57 Ų5725 Ų2525%0.2515%0.149CC..Hα-helixtrans-66.9-37.4175.7-64.3-40.7000112L213 I253 M254 A259 L260 E261 L278 F287L213-F257 HydrophobicContact CD2-CB 3.54Å; I253-F257 HydrophobicContact CG2-CD2 3.85Å; I253-F257 HydrophobicContact CG2-CE2 3.25Å; I253-F257 HydrophobicContact CG2-CZ 3.74Å; I253-F257 WeakPolarHBondContact O-CD2 3.43Å; I253-F257 PolarHBondContact O-N 3.33Å; M254-F257 PolarHBondContact O-N 2.88Å; M254-F257 HydrophobicContact SD-CD2 4.16Å; F257-A259 VanDerWaalsContact C-N 3.3Å; F257-A259 PolarHBondContact O-N 3.26Å; F257-L260 WeakPolarHBondContact O-CB 3.42Å; F257-L260 PolarHBondContact O-N 3.22Å; F257-E261 PolarHBondContact O-N 3.23Å; F257-L278 HydrophobicContact CD2-CD2 4.26Å; F257-L278 HydrophobicContact CE2-CD2 4.47Å; F257-F287 AromaticContact CE2-CE1 3.71Å; F257-F287 HydrophobicContact CE2-CE1 3.71Å; F257-F287 HydrophobicContact CE2-CZ 4.41Å; F257-F287 AromaticContact CZ-CE1 3.74Å; F257-F287 HydrophobicContact CZ-CE1 3.74Å; F257-F287 HydrophobicContact CZ-CZ 4.11Å
258Q92.3Very high86.1Confident0 Ų027.4 Ų27.40%017%0.173CC..Hα-helixtrans-59.6-43.1172.6-167.6171.41800111.1L97 D178 C179 V201 A203 L213 M254 G255 C256 L260 E261 V262L97-Q258 HydrophobicContact CD1-CB 4.37Å; L97-Q258 HydrophobicContact CD1-CG 4.25Å; L97-Q258 HydrophobicContact CD2-CG 4.25Å; D178-Q258 PolarHBondContact O-NE2 3.38Å; C179-Q258 PolarHBondContact SG-OE1 3Å; V201-Q258 HydrophobicContact CB-CG 4.33Å; V201-Q258 HydrophobicContact CG1-CG 3.72Å; V201-Q258 PolarHBondContact O-NE2 3.44Å; A203-Q258 HydrophobicContact CB-CB 4.33Å; A203-Q258 HydrophobicContact CB-CG 4.38Å; L213-Q258 HydrophobicContact CD1-CB 4.12Å; L213-Q258 HydrophobicContact CD1-CG 4.36Å; M254-Q258 WeakPolarHBondContact O-CB 2.64Å; M254-Q258 PolarHBondContact O-N 3.48Å; G255-Q258 WeakPolarHBondContact O-CB 3.4Å; G255-Q258 PolarHBondContact O-N 3.02Å; C256-Q258 VanDerWaalsContact C-N 3.34Å; Q258-L260 VanDerWaalsContact C-N 3.35Å; Q258-L260 PolarHBondContact O-N 3.49Å; Q258-E261 PolarHBondContact O-N 3.46Å; Q258-V262 VanDerWaalsContact O-CG2 3.24Å; Q258-V262 WeakPolarHBondContact O-CG2 3.35Å; Q258-V262 PolarHBondContact O-N 2.99Å
259A93.3Very high87.2Confident1 Ų125.3 Ų25.31%0.00816%0.157CC..Hα-helixtrans-61.7-43.4175.600000111.8L97 L101 G255 C256 F257 E261 V262 L263L97-A259 HydrophobicContact CD1-CB 3.59Å; L101-A259 HydrophobicContact CD2-CB 4.47Å; G255-A259 PolarHBondContact O-N 3.39Å; C256-A259 WeakPolarHBondContact O-CB 3.35Å; C256-A259 PolarHBondContact O-N 2.97Å; F257-A259 VanDerWaalsContact C-N 3.3Å; F257-A259 PolarHBondContact O-N 3.26Å; A259-E261 VanDerWaalsContact C-N 3.35Å; A259-E261 PolarHBondContact O-N 3.31Å; A259-V262 PolarHBondContact O-N 2.87Å; A259-L263 WeakPolarHBondContact O-CB 3.43Å; A259-L263 VanDerWaalsContact O-CG 3.25Å; A259-L263 WeakPolarHBondContact O-CG 3.48Å; A259-L263 PolarHBondContact O-N 2.96Å
260L91.9Very high87.2Confident83 Ų8326.4 Ų26.444%0.43517%0.173SC..Hα-helixtrans-59.7-44.8178-179.261.8000111.8C256 F257 Q258 L263 K264C256-L260 PolarHBondContact O-N 3.29Å; F257-L260 WeakPolarHBondContact O-CB 3.42Å; F257-L260 PolarHBondContact O-N 3.22Å; Q258-L260 VanDerWaalsContact C-N 3.35Å; Q258-L260 PolarHBondContact O-N 3.49Å; L260-L263 PolarHBondContact O-N 3.2Å; L260-K264 HydrophobicContact CG-CD 4.42Å; L260-K264 VanDerWaalsContact O-CG 3.29Å; L260-K264 WeakPolarHBondContact O-CG 3.22Å; L260-K264 PolarHBondContact O-N 3.17Å
261E92.1Very high86.6Confident5 Ų531.6 Ų31.62%0.02321%0.208CC..Hα-helixtrans-67.3-40.5178.5-67.8-56.6119.400112.2V201 L213 V215 F257 Q258 A259 L263 K264 I265 I272 L273V201-E261 HydrophobicContact CG1-CB 4.03Å; L213-E261 HydrophobicContact CD2-CG 4.06Å; V215-E261 HydrophobicContact CG2-CB 4.1Å; V215-E261 HydrophobicContact CG2-CG 4.36Å; F257-E261 PolarHBondContact O-N 3.23Å; Q258-E261 PolarHBondContact O-N 3.46Å; A259-E261 VanDerWaalsContact C-N 3.35Å; A259-E261 PolarHBondContact O-N 3.31Å; E261-L263 PolarHBondContact O-N 3.46Å; E261-K264 PolarHBondContact O-N 2.8Å; E261-K264 WeakPolarHBondContact OE1-CD 2.88Å; E261-K264 IonicContact OE1-NZ 3.7Å; E261-K264 PolarHBondContact OE1-NZ 3.08Å; E261-I265 WeakPolarHBondContact O-CD1 3.31Å; E261-I265 VanDerWaalsContact O-CG1 3.28Å; E261-I265 WeakPolarHBondContact O-CG1 3.13Å; E261-I265 PolarHBondContact O-N 3.29Å; E261-I272 WeakPolarHBondContact OE2-CA 3.47Å; E261-I272 WeakPolarHBondContact OE2-CG2 3.32Å; E261-L273 HydrophobicContact CG-CD1 4.11Å; E261-L273 HydrophobicContact CG-CG 4.47Å; E261-L273 PolarHBondContact OE2-N 3.26Å
262V93.3Very high86.5Confident0 Ų031.8 Ų31.80%021%0.209CC..Hα-helixtrans-60.5-45.1173.7172.30000110.9V85 L97 L101 I175 A177 V201 Q258 A259 K264 I265 A266V85-V262 HydrophobicContact CB-CG1 4.47Å; V85-V262 HydrophobicContact CG1-CG1 3.93Å; V85-V262 HydrophobicContact CG2-CG1 3.67Å; L97-V262 HydrophobicContact CD1-CG2 4.36Å; L101-V262 HydrophobicContact CD1-CG1 3.94Å; L101-V262 HydrophobicContact CD2-CB 3.98Å; L101-V262 HydrophobicContact CD2-CG1 3.6Å; L101-V262 HydrophobicContact CG-CG1 4.44Å; I175-V262 HydrophobicContact CD1-CG1 4.28Å; I175-V262 HydrophobicContact CG2-CG1 4.26Å; I175-V262 HydrophobicContact CG2-CG2 4.31Å; A177-V262 HydrophobicContact CB-CG2 4.39Å; V201-V262 HydrophobicContact CB-CG2 4.11Å; V201-V262 HydrophobicContact CG1-CG2 4.48Å; V201-V262 HydrophobicContact CG2-CG2 3.83Å; Q258-V262 VanDerWaalsContact O-CG2 3.24Å; Q258-V262 WeakPolarHBondContact O-CG2 3.35Å; Q258-V262 PolarHBondContact O-N 2.99Å; A259-V262 PolarHBondContact O-N 2.87Å; V262-K264 VanDerWaalsContact C-N 3.34Å; V262-K264 PolarHBondContact O-N 2.74Å; V262-I265 PolarHBondContact O-N 3.07Å; V262-A266 VanDerWaalsContact O-CB 3.28Å; V262-A266 WeakPolarHBondContact O-CB 3.45Å; V262-A266 PolarHBondContact O-N 3.46Å
263L92.2Very high85.9Confident32 Ų3232.5 Ų32.517%0.16821%0.208CC..Hα-helixtrans-64.1-38178.7-71.4175.2000112.3L80 L101 A104 V106 A259 L260 E261 S267L80-L263 HydrophobicContact CD1-CD2 4.34Å; L80-L263 HydrophobicContact CD2-CD2 3.73Å; L101-L263 HydrophobicContact CD2-CD2 3.66Å; L101-L263 HydrophobicContact CD2-CG 3.74Å; A104-L263 HydrophobicContact CB-CD1 3.85Å; A104-L263 HydrophobicContact CB-CD2 3.48Å; A104-L263 VanDerWaalsContact CB-CD2 3.48Å; A104-L263 HydrophobicContact CB-CG 4.33Å; V106-L263 HydrophobicContact CG2-CD2 4.01Å; A259-L263 WeakPolarHBondContact O-CB 3.43Å; A259-L263 VanDerWaalsContact O-CG 3.25Å; A259-L263 WeakPolarHBondContact O-CG 3.48Å; A259-L263 PolarHBondContact O-N 2.96Å; L260-L263 PolarHBondContact O-N 3.2Å; E261-L263 PolarHBondContact O-N 3.46Å; L263-S267 VanDerWaalsContact O-CB 3.28Å; L263-S267 WeakPolarHBondContact O-CB 3.41Å; L263-S267 PolarHBondContact O-N 2.79Å; L263-S267 PolarHBondContact O-OG 3.35Å
264K90.9Very high85.2Confident37 Ų3734.8 Ų34.816%0.16121%0.214CC..Hα-helixtrans-62.8-47.1174.1-72.9167.1174.6-177.40111.4L260 E261 V262 S267 G268 Q269 C271 I272L260-K264 HydrophobicContact CG-CD 4.42Å; L260-K264 VanDerWaalsContact O-CG 3.29Å; L260-K264 WeakPolarHBondContact O-CG 3.22Å; L260-K264 PolarHBondContact O-N 3.17Å; E261-K264 PolarHBondContact O-N 2.8Å; E261-K264 WeakPolarHBondContact OE1-CD 2.88Å; E261-K264 IonicContact OE1-NZ 3.7Å; E261-K264 PolarHBondContact OE1-NZ 3.08Å; V262-K264 VanDerWaalsContact C-N 3.34Å; V262-K264 PolarHBondContact O-N 2.74Å; K264-S267 PolarHBondContact O-OG 3.2Å; K264-G268 PolarHBondContact O-N 2.79Å; K264-G268 VanDerWaalsContact O-N 3.07Å; K264-Q269 HydrophobicContact CB-CB 4.1Å; K264-Q269 HydrophobicContact CG-CB 4.27Å; K264-Q269 PolarHBondContact O-N 3.4Å; K264-C271 WeakPolarHBondContact CD-O 3.33Å; K264-C271 PolarHBondContact NZ-O 2.84Å; K264-I272 HydrophobicContact CB-CG1 4Å
265I90.8Very high84.8Confident19 Ų1936.9 Ų36.910%0.09722%0.224CC..Hα-helixtrans-61-50176.8-63.3161.2000110.2I175 P199 V201 V215 Y218 E261 V262 S267 G268 I272I175-I265 HydrophobicContact CD1-CB 3.92Å; I175-I265 HydrophobicContact CD1-CG2 3.58Å; I175-I265 HydrophobicContact CG1-CG2 3.88Å; P199-I265 HydrophobicContact CG-CG2 4.34Å; V201-I265 HydrophobicContact CG2-CD1 3.64Å; V215-I265 HydrophobicContact CG1-CD1 3.79Å; V215-I265 HydrophobicContact CG2-CD1 4.31Å; Y218-I265 HydrophobicContact CD2-CG2 4.39Å; Y218-I265 HydrophobicContact CE2-CG1 4.46Å; Y218-I265 HydrophobicContact CE2-CG2 3.88Å; E261-I265 WeakPolarHBondContact O-CD1 3.31Å; E261-I265 VanDerWaalsContact O-CG1 3.28Å; E261-I265 WeakPolarHBondContact O-CG1 3.13Å; E261-I265 PolarHBondContact O-N 3.29Å; V262-I265 PolarHBondContact O-N 3.07Å; I265-S267 PolarHBondContact O-N 3.35Å; I265-G268 PolarHBondContact O-N 3.43Å; I265-I272 HydrophobicContact CB-CD1 4.47Å; I265-I272 HydrophobicContact CD1-CG2 4.43Å; I265-I272 HydrophobicContact CG1-CD1 3.7Å; I265-I272 HydrophobicContact CG1-CG1 4.19Å; I265-I272 HydrophobicContact CG1-CG2 4.16Å
266A90.8Very high84.6Confident13 Ų1340.6 Ų40.611%0.10724%0.241CC..Hα-helixtrans-65.8-36.1-176.400000113.3N79 L80 A83 I175 V262N79-A266 WeakPolarHBondContact CB-O 3.39Å; L80-A266 HydrophobicContact CD2-CB 3.58Å; A83-A266 HydrophobicContact CB-CB 3.9Å; I175-A266 HydrophobicContact CD1-CB 3.67Å; V262-A266 VanDerWaalsContact O-CB 3.28Å; V262-A266 WeakPolarHBondContact O-CB 3.45Å; V262-A266 PolarHBondContact O-N 3.46Å
267S89Confident84.4Confident8 Ų839.1 Ų39.16%0.05623%0.23CC..Hα-helixtrans-80.5-16.5176.457.50000113.8N79 L263 K264 I265 Q269N79-S267 PolarHBondContact ND2-O 3.29Å; N79-S267 VanDerWaalsContact ND2-O 3.1Å; L263-S267 VanDerWaalsContact O-CB 3.28Å; L263-S267 WeakPolarHBondContact O-CB 3.41Å; L263-S267 PolarHBondContact O-N 2.79Å; L263-S267 PolarHBondContact O-OG 3.35Å; K264-S267 PolarHBondContact O-OG 3.2Å; I265-S267 PolarHBondContact O-N 3.35Å; S267-Q269 WeakPolarHBondContact OG-CG 3.49Å; S267-Q269 PolarHBondContact OG-NE2 3.3Å
268G83.2Confident84.2Confident58 Ų5837.5 Ų37.560%0.59823%0.225SC*.THydrogen-bonded Turntrans85.627-177.100000114.2K264 I265K264-G268 PolarHBondContact O-N 2.79Å; K264-G268 VanDerWaalsContact O-N 3.07Å; I265-G268 PolarHBondContact O-N 3.43Å
269Q80.3Confident83.9Confident54 Ų5439.6 Ų39.625%0.25224%0.235SC..  trans-76.2144175-68.9175.15300111.2K264 S267 I272K264-Q269 HydrophobicContact CB-CB 4.1Å; K264-Q269 HydrophobicContact CG-CB 4.27Å; K264-Q269 PolarHBondContact O-N 3.4Å; S267-Q269 WeakPolarHBondContact OG-CG 3.49Å; S267-Q269 PolarHBondContact OG-NE2 3.3Å; Q269-I272 WeakPolarHBondContact O-CD1 3.29Å
270G64.3Low83.5Confident68 Ų6839.9 Ų39.970%0.70124%0.236SC*.SBendtrans-85.7-20.1-172.200000116.6I272G270-I272 PolarHBondContact O-N 2.89Å; G270-I272 VanDerWaalsContact O-N 3.14Å
271C64.4Low83.1Confident110 Ų11037.8 Ų37.874%0.74323%0.225SC*.  trans-90.172.5-175.5-67.50000112.2K264K264-C271 WeakPolarHBondContact CD-O 3.33Å; K264-C271 PolarHBondContact NZ-O 2.84Å
272I78.1Confident82.5Confident11 Ų1138.8 Ų38.86%0.05623%0.234CC..  trans-104146.2-178.2-63.9160.3000109.8V215 Y218 E261 K264 I265 Q269 G270 Y274V215-I272 HydrophobicContact CB-CG2 4.06Å; V215-I272 HydrophobicContact CG1-CG2 4.12Å; V215-I272 HydrophobicContact CG2-CG2 3.73Å; Y218-I272 HydrophobicContact CD1-CD1 4.19Å; Y218-I272 HydrophobicContact CD1-CG2 4.31Å; Y218-I272 HydrophobicContact CE1-CB 4.46Å; Y218-I272 HydrophobicContact CE1-CD1 3.3Å; Y218-I272 HydrophobicContact CE1-CG1 4.46Å; Y218-I272 HydrophobicContact CE1-CG2 4.45Å; Y218-I272 WeakPolarHBondContact OH-CD1 3.49Å; E261-I272 WeakPolarHBondContact OE2-CA 3.47Å; E261-I272 WeakPolarHBondContact OE2-CG2 3.32Å; K264-I272 HydrophobicContact CB-CG1 4Å; I265-I272 HydrophobicContact CB-CD1 4.47Å; I265-I272 HydrophobicContact CD1-CG2 4.43Å; I265-I272 HydrophobicContact CG1-CD1 3.7Å; I265-I272 HydrophobicContact CG1-CG1 4.19Å; I265-I272 HydrophobicContact CG1-CG2 4.16Å; Q269-I272 WeakPolarHBondContact O-CD1 3.29Å; G270-I272 PolarHBondContact O-N 2.89Å; G270-I272 VanDerWaalsContact O-N 3.14Å; I272-Y274 HydrophobicContact CB-CD1 4.39Å; I272-Y274 VanDerWaalsContact O-CD1 3.29Å; I272-Y274 WeakPolarHBondContact O-CD1 3.38Å; I272-Y274 PolarHBondContact O-N 2.99Å
273L72.6Confident81.9Confident31 Ų3146.2 Ų46.216%0.16227%0.269CS..  trans-73.448.7174.4-67.3173.9000112.3L213 V215 E261 Q276 L278L213-L273 HydrophobicContact CD2-CD1 3.91Å; L213-L273 HydrophobicContact CG-CD1 4.49Å; V215-L273 PolarHBondContact N-O 3.23Å; E261-L273 HydrophobicContact CG-CD1 4.11Å; E261-L273 HydrophobicContact CG-CG 4.47Å; E261-L273 PolarHBondContact OE2-N 3.26Å; L273-Q276 HydrophobicContact CD2-CB 4.17Å; L273-Q276 VanDerWaalsContact CD2-OE1 3.26Å; L273-L278 HydrophobicContact CD1-CB 4.39Å
274Y73.3Confident81.4Confident103 Ų10346.6 Ų46.640%0.40428%0.28SS..BIsolated β-bridgetrans-78.9136.6170.477-85.4000109I272 Q276I272-Y274 HydrophobicContact CB-CD1 4.39Å; I272-Y274 VanDerWaalsContact O-CD1 3.29Å; I272-Y274 WeakPolarHBondContact O-CD1 3.38Å; I272-Y274 PolarHBondContact O-N 2.99Å; Y274-Q276 PolarHBondContact O-N 2.98Å
275Q79.3Confident81.1Confident43 Ų4352 Ų5220%0.20130%0.304CS..THydrogen-bonded Turntrans58.922.2-172.8-59.41804.900115.1L292Q275-L292 PolarHBondContact O-N 3.28Å
276Q84.8Confident80.8Confident79 Ų7958.3 Ų58.337%0.36933%0.327SS..EExtended strand (participates in β ladder)trans-129.3144.3173.7-67.5-174-25.100110.2T214 L273 Y274 I290T214-Q276 WeakPolarHBondContact CB-O 3.48Å; T214-Q276 WeakPolarHBondContact CG2-O 3.28Å; T214-Q276 PolarHBondContact OG1-O 2.97Å; L273-Q276 HydrophobicContact CD2-CB 4.17Å; L273-Q276 VanDerWaalsContact CD2-OE1 3.26Å; Y274-Q276 PolarHBondContact O-N 2.98Å; Q276-I290 CarbonylContact C-O 3.55Å; Q276-I290 WeakPolarHBondContact CA-O 3.41Å
277L85.8Confident80.6Confident9 Ų961.9 Ų61.95%0.04734%0.34CS..EExtended strand (participates in β ladder)trans-116.9107.7176.2-176.974.8000107.6Q212 T214 M279 I290 L292Q212-L277 HydrophobicContact CB-CD1 3.41Å; Q212-L277 VanDerWaalsContact CB-CD1 3.41Å; Q212-L277 HydrophobicContact CB-CG 4.25Å; Q212-L277 HydrophobicContact CG-CD1 3.47Å; Q212-L277 VanDerWaalsContact CG-CD1 3.47Å; Q212-L277 HydrophobicContact CG-CD2 3.92Å; Q212-L277 HydrophobicContact CG-CG 3.9Å; T214-L277 WeakPolarHBondContact OG1-CA 3.36Å; T214-L277 WeakPolarHBondContact OG1-CD1 3.47Å; L277-M279 HydrophobicContact CD2-CG 4.43Å; L277-M279 HydrophobicContact CG-CG 4.44Å; L277-I290 HydrophobicContact CB-CB 4.21Å; L277-I290 PolarHBondContact N-O 3.27Å; L277-I290 PolarHBondContact O-N 2.98Å; L277-L292 HydrophobicContact CB-CD1 4.08Å; L277-L292 HydrophobicContact CB-CD2 3.83Å; L277-L292 HydrophobicContact CB-CG 3.93Å; L277-L292 HydrophobicContact CD2-CD2 4.32Å
278L86.6Confident80.5Confident24 Ų2467.5 Ų67.513%0.12636%0.36CS..EExtended strand (participates in β ladder)trans-82.9119.7174-177.265.8000108.8Q212 L213 F257 L273 F287Q212-L278 CarbonylContact C-O 3.53Å; Q212-L278 VanDerWaalsContact CA-O 3.26Å; Q212-L278 WeakPolarHBondContact CA-O 3.44Å; Q212-L278 PolarHBondContact N-O 2.81Å; L213-L278 HydrophobicContact CB-CB 4.34Å; L213-L278 PolarHBondContact N-O 2.9Å; L213-L278 PolarHBondContact O-N 3.39Å; F257-L278 HydrophobicContact CD2-CD2 4.26Å; F257-L278 HydrophobicContact CE2-CD2 4.47Å; L273-L278 HydrophobicContact CD1-CB 4.39Å; L278-F287 HydrophobicContact CD1-CB 4.28Å; L278-F287 HydrophobicContact CD1-CD1 4.16Å
279M86.2Confident80.6Confident44 Ų4469 Ų6922%0.21736%0.359CS..EExtended strand (participates in β ladder)trans-105.9133.7167.5-56.7-169.9-48.300109.7L277 R288 I290L277-M279 HydrophobicContact CD2-CG 4.43Å; L277-M279 HydrophobicContact CG-CG 4.44Å; M279-R288 HydrophobicContact CB-CB 4.34Å; M279-R288 HydrophobicContact CE-CB 4.04Å; M279-R288 PolarHBondContact N-O 2.97Å; M279-R288 PolarHBondContact O-N 3.47Å; M279-I290 HydrophobicContact CE-CD1 3.31Å; M279-I290 HydrophobicContact CE-CG1 4.17Å; M279-I290 HydrophobicContact CG-CD1 4.29Å; M279-I290 HydrophobicContact SD-CD1 3.64Å
280F84.1Confident81Confident7 Ų769.8 Ų69.83%0.03136%0.364CS..EExtended strand (participates in β ladder)trans-115.4116.2177174.4-123.8000109.7G210 I253 M254 A282 F285 F287G210-F280 CarbonylContact C-O 3.6Å; G210-F280 WeakPolarHBondContact CA-O 3.27Å; G210-F280 PolarHBondContact N-O 3.11Å; G210-F280 PolarHBondContact O-N 3.14Å; I253-F280 HydrophobicContact CD1-CE1 4.03Å; I253-F280 HydrophobicContact CD1-CZ 4.23Å; I253-F280 HydrophobicContact CG2-CD1 4.49Å; I253-F280 HydrophobicContact CG2-CE1 4.37Å; M254-F280 HydrophobicContact SD-CB 4.1Å; F280-A282 HydrophobicContact CD1-CB 4.48Å; F280-A282 HydrophobicContact CE1-CB 3.81Å; F280-A282 HydrophobicContact CZ-CB 4.08Å; F280-F285 HydrophobicContact CE2-CD2 4.26Å; F280-F285 HydrophobicContact CE2-CE2 4.44Å; F280-F285 HydrophobicContact CZ-CD2 4.35Å; F280-F285 HydrophobicContact CZ-CE2 4.46Å; F280-F287 HydrophobicContact CB-CD1 4.35Å; F280-F287 HydrophobicContact CB-CE1 4.23Å; F280-F287 AromaticContact CD2-CD1 3.79Å; F280-F287 HydrophobicContact CD2-CD1 3.79Å; F280-F287 AromaticContact CD2-CE1 3.32Å; F280-F287 HydrophobicContact CD2-CE1 3.32Å; F280-F287 HydrophobicContact CD2-CE2 4.16Å; F280-F287 HydrophobicContact CD2-CG 4.4Å; F280-F287 AromaticContact CD2-CZ 3.53Å; F280-F287 HydrophobicContact CD2-CZ 3.53Å; F280-F287 AromaticContact CE2-CE1 3.89Å; F280-F287 HydrophobicContact CE2-CE1 3.89Å; F280-F287 HydrophobicContact CE2-CE2 4.09Å; F280-F287 AromaticContact CE2-CZ 3.58Å; F280-F287 HydrophobicContact CE2-CZ 3.58Å; F280-F287 HydrophobicContact CG-CD1 4.44Å; F280-F287 AromaticContact CG-CE1 3.95Å; F280-F287 HydrophobicContact CG-CE1 3.95Å; F280-F287 HydrophobicContact CG-CZ 4.47Å
281D83.4Confident82.1Confident39 Ų3976.4 Ų76.421%0.20937%0.368CS..EExtended strand (participates in β ladder)trans-94.8110.1171.1169.44.7000108.1Q283 G284 F285 R286D281-Q283 WeakPolarHBondContact OD1-CB 3.42Å; D281-Q283 PolarHBondContact OD1-N 2.85Å; D281-G284 PolarHBondContact OD1-N 3.45Å; D281-F285 CarbonylContact O-C 3.55Å; D281-F285 WeakPolarHBondContact O-CA 3.49Å; D281-F285 PolarHBondContact O-N 3.45Å; D281-R286 HydrophobicContact CB-CB 4.33Å; D281-R286 PolarHBondContact N-O 3.05Å; D281-R286 PolarHBondContact O-N 3.37Å
282A80.2Confident83Confident25 Ų2572.1 Ų72.121%0.20734%0.338CS..THydrogen-bonded Turntrans-78.1-25.1-177.500000112.5M208 V250 F280M208-A282 VanDerWaalsContact O-CB 3.3Å; M208-A282 WeakPolarHBondContact O-CB 3.4Å; M208-A282 PolarHBondContact O-N 3.05Å; M208-A282 VanDerWaalsContact O-N 3.11Å; V250-A282 HydrophobicContact CG2-CB 3.65Å; F280-A282 HydrophobicContact CD1-CB 4.48Å; F280-A282 HydrophobicContact CE1-CB 3.81Å; F280-A282 HydrophobicContact CZ-CB 4.08Å
283Q80.4Confident83.1Confident157 Ų15780.1 Ų80.173%0.73437%0.367SS*.THydrogen-bonded Turntrans-72.2-44.3178-176.9175.98.700110.8M208 D281M208-Q283 HydrophobicContact CE-CB 4.31Å; D281-Q283 WeakPolarHBondContact OD1-CB 3.42Å; D281-Q283 PolarHBondContact OD1-N 2.85Å
284G81.8Confident83.5Confident39 Ų3982.1 Ų82.140%0.40238%0.382SS..THydrogen-bonded Turntrans-89.7-7.4177.800000115D281 R286D281-G284 PolarHBondContact OD1-N 3.45Å; G284-R286 VanDerWaalsContact C-N 3.34Å; G284-R286 WeakPolarHBondContact O-CG 3.47Å; G284-R286 PolarHBondContact O-N 3.35Å
285F83.1Confident83.9Confident151 Ų15182.3 Ų82.366%0.66239%0.385SS*.THydrogen-bonded Turntrans49.650.1-168-159.1-97.3000112.5F280 D281 F287F280-F285 HydrophobicContact CE2-CD2 4.26Å; F280-F285 HydrophobicContact CE2-CE2 4.44Å; F280-F285 HydrophobicContact CZ-CD2 4.35Å; F280-F285 HydrophobicContact CZ-CE2 4.46Å; D281-F285 CarbonylContact O-C 3.55Å; D281-F285 WeakPolarHBondContact O-CA 3.49Å; D281-F285 PolarHBondContact O-N 3.45Å; F285-F287 HydrophobicContact CE1-CE2 4.28Å; F285-F287 HydrophobicContact CZ-CE2 4.45Å
286R84.8Confident84.1Confident152 Ų15283 Ų8357%0.57439%0.388SS*.EExtended strand (participates in β ladder)trans-115.8132.5-176.5-64-177-177.3-1741.9111.5D281 G284D281-R286 HydrophobicContact CB-CB 4.33Å; D281-R286 PolarHBondContact N-O 3.05Å; D281-R286 PolarHBondContact O-N 3.37Å; G284-R286 VanDerWaalsContact C-N 3.34Å; G284-R286 WeakPolarHBondContact O-CG 3.47Å; G284-R286 PolarHBondContact O-N 3.35Å
287F86.8Confident83.9Confident88 Ų8882 Ų8239%0.38639%0.393SS..EExtended strand (participates in β ladder)trans-98.7126168.4-64.4-83.1000109.4F257 L278 F280 F285F257-F287 AromaticContact CE2-CE1 3.71Å; F257-F287 HydrophobicContact CE2-CE1 3.71Å; F257-F287 HydrophobicContact CE2-CZ 4.41Å; F257-F287 AromaticContact CZ-CE1 3.74Å; F257-F287 HydrophobicContact CZ-CE1 3.74Å; F257-F287 HydrophobicContact CZ-CZ 4.11Å; L278-F287 HydrophobicContact CD1-CB 4.28Å; L278-F287 HydrophobicContact CD1-CD1 4.16Å; F280-F287 HydrophobicContact CB-CD1 4.35Å; F280-F287 HydrophobicContact CB-CE1 4.23Å; F280-F287 AromaticContact CD2-CD1 3.79Å; F280-F287 HydrophobicContact CD2-CD1 3.79Å; F280-F287 AromaticContact CD2-CE1 3.32Å; F280-F287 HydrophobicContact CD2-CE1 3.32Å; F280-F287 HydrophobicContact CD2-CE2 4.16Å; F280-F287 HydrophobicContact CD2-CG 4.4Å; F280-F287 AromaticContact CD2-CZ 3.53Å; F280-F287 HydrophobicContact CD2-CZ 3.53Å; F280-F287 AromaticContact CE2-CE1 3.89Å; F280-F287 HydrophobicContact CE2-CE1 3.89Å; F280-F287 HydrophobicContact CE2-CE2 4.09Å; F280-F287 AromaticContact CE2-CZ 3.58Å; F280-F287 HydrophobicContact CE2-CZ 3.58Å; F280-F287 HydrophobicContact CG-CD1 4.44Å; F280-F287 AromaticContact CG-CE1 3.95Å; F280-F287 HydrophobicContact CG-CE1 3.95Å; F280-F287 HydrophobicContact CG-CZ 4.47Å; F285-F287 HydrophobicContact CE1-CE2 4.28Å; F285-F287 HydrophobicContact CZ-CE2 4.45Å
288R86.4Confident83.7Confident126 Ų12688.1 Ų88.148%0.47543%0.426SS..EExtended strand (participates in β ladder)trans-121.4100.4176.6-65.3-176.5-171-178.69109.1M279 I290M279-R288 HydrophobicContact CB-CB 4.34Å; M279-R288 HydrophobicContact CE-CB 4.04Å; M279-R288 PolarHBondContact N-O 2.97Å; M279-R288 PolarHBondContact O-N 3.47Å; R288-I290 PolarHBondContact O-N 3.03Å
289P87Confident83.5Confident89 Ų8987.4 Ų87.458%0.57842%0.423SS*.EExtended strand (participates in β ladder)trans-76.5117.3168.930.2-31.1000109
290I87.3Confident83.1Confident70 Ų7086.8 Ų86.836%0.35943%0.425SS..EExtended strand (participates in β ladder)trans-101.4126.7172.7-64.3175.7000108.2Q276 L277 M279 R288 L292Q276-I290 CarbonylContact C-O 3.55Å; Q276-I290 WeakPolarHBondContact CA-O 3.41Å; L277-I290 HydrophobicContact CB-CB 4.21Å; L277-I290 PolarHBondContact N-O 3.27Å; L277-I290 PolarHBondContact O-N 2.98Å; M279-I290 HydrophobicContact CE-CD1 3.31Å; M279-I290 HydrophobicContact CE-CG1 4.17Å; M279-I290 HydrophobicContact CG-CD1 4.29Å; M279-I290 HydrophobicContact SD-CD1 3.64Å; R288-I290 PolarHBondContact O-N 3.03Å; I290-L292 PolarHBondContact O-N 3.01Å
291R86.9Confident82.9Confident208 Ų20886.9 Ų86.979%0.78543%0.426SS*.EExtended strand (participates in β ladder)trans-74.8123.1172.3-171.7175.5-178.6176.90.5109.4
292L83.6Confident82.8Confident20 Ų2085.5 Ų85.511%0.10542%0.419CS..PPolyproline II helixtrans-83.5155.2177.2-63.9173000110.8T214 P222 L227 Q275 L277 I290T214-L292 HydrophobicContact CG2-CD1 3.64Å; P222-L292 HydrophobicContact CG-CB 4.49Å; P222-L292 HydrophobicContact CG-CD1 4.48Å; L227-L292 HydrophobicContact CD1-CD1 4.23Å; L227-L292 HydrophobicContact CD1-CD2 4.5Å; L227-L292 HydrophobicContact CD2-CD1 3.79Å; L227-L292 HydrophobicContact CD2-CD2 3.51Å; L227-L292 HydrophobicContact CD2-CG 4.27Å; L227-L292 HydrophobicContact CG-CD1 4.43Å; L227-L292 HydrophobicContact CG-CD2 3.96Å; Q275-L292 PolarHBondContact O-N 3.28Å; L277-L292 HydrophobicContact CB-CD1 4.08Å; L277-L292 HydrophobicContact CB-CD2 3.83Å; L277-L292 HydrophobicContact CB-CG 3.93Å; L277-L292 HydrophobicContact CD2-CD2 4.32Å; I290-L292 PolarHBondContact O-N 3.01Å
293R81.3Confident82.7Confident178 Ų17884.8 Ų84.867%0.67242%0.415SS*.PPolyproline II helixtrans-65.6147.2168.4-71.8-177.4-79.5-174.8-3.4109.4
294P80.8Confident82.5Confident74 Ų7485.2 Ų85.248%0.48142%0.417SS..PPolyproline II helixtrans-64.3172.3172.230-35.2000110.5Q296P294-Q296 PolarHBondContact O-N 3.5Å; P294-Q296 PolarHBondContact O-NE2 3.39Å
295K82.4Confident82.2Confident107 Ų10788.6 Ų88.647%0.46543%0.434SS..  trans-42.2125.9172.5-177.1-179.2175.7-1800111.5C302K295-C302 WeakPolarHBondContact CE-O 3.35Å; K295-C302 PolarHBondContact NZ-O 2.87Å
296Q82Confident81.9Confident56 Ų5684.3 Ų84.326%0.26242%0.421SS..  trans-84.4135.2177.8-60.4-61.9-65.700110.1C226 P294 D298 C299C226-Q296 HydrophobicContact CB-CG 4.15Å; P294-Q296 PolarHBondContact O-N 3.5Å; P294-Q296 PolarHBondContact O-NE2 3.39Å; Q296-D298 VanDerWaalsContact C-N 3.33Å; Q296-D298 WeakPolarHBondContact CB-OD1 3.4Å; Q296-C299 HydrophobicContact CB-CB 4.23Å; Q296-C299 WeakPolarHBondContact O-CB 3.29Å; Q296-C299 PolarHBondContact O-N 3.24Å
297A80.6Confident81.4Confident58 Ų5881.6 Ų81.648%0.47943%0.425SS..THydrogen-bonded Turntrans-70.3-30.4-177.400000112.8C299 G303 E304A297-C299 VanDerWaalsContact C-N 3.35Å; A297-G303 CarbonylContact O-C 3.45Å; A297-G303 WeakPolarHBondContact O-CA 3.27Å; A297-E304 HydrophobicContact CB-CG 4.46Å; A297-E304 PolarHBondContact O-N 3.18Å
298D82.5Confident80.8Confident138 Ų13878.2 Ų78.274%0.73841%0.412SS*.THydrogen-bonded Turntrans-90.98.5178.765.1-28.8000113.3Q296 A300Q296-D298 VanDerWaalsContact C-N 3.33Å; Q296-D298 WeakPolarHBondContact CB-OD1 3.4Å; D298-A300 PolarHBondContact O-N 3.17Å
299C81Confident80.2Confident10 Ų1076.9 Ų76.97%0.06842%0.418CS..  trans-64.5131.7-178.7-175.80000111.6C223 C226 Q296 A297 V301 C302 G303C223-C299 PolarHBondContact SG-SG 3.22Å; C226-C299 VanDerWaalsContact SG-SG 3.67Å; Q296-C299 HydrophobicContact CB-CB 4.23Å; Q296-C299 WeakPolarHBondContact O-CB 3.29Å; Q296-C299 PolarHBondContact O-N 3.24Å; A297-C299 VanDerWaalsContact C-N 3.35Å; C299-V301 PolarHBondContact O-N 3.39Å; C299-C302 VanDerWaalsContact CB-SG 3.53Å; C299-G303 WeakPolarHBondContact O-CA 3.49Å; C299-G303 PolarHBondContact O-N 3.48Å
300A78.9Confident79.8Confident31 Ų3179.8 Ų79.826%0.25642%0.424SS..THydrogen-bonded Turntrans-54-27.4-179.200000114.9D298 P306 S307 V308D298-A300 PolarHBondContact O-N 3.17Å; A300-P306 CarbonylContact O-C 3.48Å; A300-P306 WeakPolarHBondContact O-CA 3.38Å; A300-S307 WeakPolarHBondContact CA-OG 3.43Å; A300-S307 WeakPolarHBondContact CB-OG 3.36Å; A300-S307 PolarHBondContact O-N 2.78Å; A300-S307 PolarHBondContact O-OG 2.8Å; A300-V308 HydrophobicContact CB-CG2 4.18Å; A300-V308 PolarHBondContact O-N 2.86Å
301V80.1Confident79.6Confident8 Ų878 Ų785%0.04842%0.415CS..THydrogen-bonded Turntrans-113.6-48.9-176.4-177.90000111.9D191 V194 R225 C299 P306 V308D191-V301 WeakPolarHBondContact OD1-CG2 3.47Å; V194-V301 HydrophobicContact CB-CG1 3.72Å; V194-V301 HydrophobicContact CG1-CG1 3.63Å; V194-V301 HydrophobicContact CG2-CG1 4.28Å; R225-V301 VanDerWaalsContact CD-CG2 3.44Å; R225-V301 HydrophobicContact CG-CG2 4.48Å; C299-V301 PolarHBondContact O-N 3.39Å; V301-P306 WeakPolarHBondContact O-CB 3.44Å; V301-V308 HydrophobicContact CG2-CB 3.66Å; V301-V308 HydrophobicContact CG2-CG1 3.93Å; V301-V308 HydrophobicContact CG2-CG2 4Å
302C80.1Confident79.3Confident11 Ų1171 Ų717%0.07439%0.392CS..THydrogen-bonded Turntrans-97.1-4.3-176.372.70000113.7V194 C223 C226 K295 C299V194-C302 HydrophobicContact CG1-CB 3.99Å; C223-C302 HydrophobicContact CB-CB 4.46Å; C223-C302 VanDerWaalsContact SG-SG 3.6Å; C226-C302 PolarHBondContact SG-SG 3.12Å; K295-C302 WeakPolarHBondContact CE-O 3.35Å; K295-C302 PolarHBondContact NZ-O 2.87Å; C299-C302 VanDerWaalsContact CB-SG 3.53Å
303G78.4Confident79Confident10 Ų1074.6 Ų74.610%0.10341%0.412CS..SBendtrans-64.5177.3-175.800000114.3A297 C299 S305A297-G303 CarbonylContact O-C 3.45Å; A297-G303 WeakPolarHBondContact O-CA 3.27Å; C299-G303 WeakPolarHBondContact O-CA 3.49Å; C299-G303 PolarHBondContact O-N 3.48Å; G303-S305 PolarHBondContact O-N 3.12Å
304E77.1Confident78.6Confident166 Ų16666.4 Ų66.478%0.77638%0.381SS*.SBendtrans-70.2-23.3178.6-64-177.4176.900112.4A297A297-E304 HydrophobicContact CB-CG 4.46Å; A297-E304 PolarHBondContact O-N 3.18Å
305S74.6Confident78.1Confident110 Ų11067 Ų6777%0.76938%0.377SS*.SBendtrans-131.481.1173.5-65.40000109.5G303 S307G303-S305 PolarHBondContact O-N 3.12Å; S305-S307 PolarHBondContact O-N 3.21Å
306P77.6Confident77.3Confident60 Ų6065.3 Ų65.339%0.3938%0.384SS..  trans-68.6128.7-175.228.2-34000111A300 V301A300-P306 CarbonylContact O-C 3.48Å; A300-P306 WeakPolarHBondContact O-CA 3.38Å; V301-P306 WeakPolarHBondContact O-CB 3.44Å
307S73.1Confident76.6Confident95 Ų9566.1 Ų66.166%0.66439%0.386SS*.SBendtrans-83.5-24.7173.155.60000112.4A300 S305A300-S307 WeakPolarHBondContact CA-OG 3.43Å; A300-S307 WeakPolarHBondContact CB-OG 3.36Å; A300-S307 PolarHBondContact O-N 2.78Å; A300-S307 PolarHBondContact O-OG 2.8Å; S305-S307 PolarHBondContact O-N 3.21Å
308V75.6Confident75.7Confident17 Ų1763.6 Ų63.610%0.10337%0.365CS..  trans-99.498176.4-179.40000108.4A300 V301 Q310A300-V308 HydrophobicContact CB-CG2 4.18Å; A300-V308 PolarHBondContact O-N 2.86Å; V301-V308 HydrophobicContact CG2-CB 3.66Å; V301-V308 HydrophobicContact CG2-CG1 3.93Å; V301-V308 HydrophobicContact CG2-CG2 4Å; V308-Q310 WeakPolarHBondContact CG1-O 3.35Å
309T74.4Confident74.5Confident99 Ų9958.5 Ų58.561%0.60735%0.345SS*.  trans-103.3-13.1176.554.40000112.8
310Q78.6Confident73.5Confident150 Ų15059.2 Ų59.270%0.70135%0.35SS*.SBendtrans-135.9156.4176.9-66.5-173-19.100109.9V308V308-Q310 WeakPolarHBondContact CG1-O 3.35Å
311L81.3Confident72.5Confident31 Ų3159.6 Ų59.616%0.16235%0.353CS..  trans-67.7132.5173.9-60.8177.4000109P163 A166 L167 L188 D191 A192 L195 Y314P163-L311 HydrophobicContact CB-CB 3.84Å; P163-L311 WeakPolarHBondContact O-CD1 3.41Å; A166-L311 HydrophobicContact CB-CD1 3.94Å; L167-L311 HydrophobicContact CB-CD1 4.19Å; L188-L311 HydrophobicContact CD1-CB 4.48Å; L188-L311 HydrophobicContact CD1-CD1 4.02Å; L188-L311 HydrophobicContact CD1-CD2 4.19Å; L188-L311 HydrophobicContact CD1-CG 4.46Å; D191-L311 HydrophobicContact CB-CD2 3.95Å; A192-L311 HydrophobicContact CB-CD1 4.14Å; A192-L311 HydrophobicContact CB-CD2 4.01Å; L195-L311 HydrophobicContact CD1-CD2 3.96Å; L195-L311 HydrophobicContact CD1-CG 4.33Å; L311-Y314 HydrophobicContact CB-CE2 4.22Å; L311-Y314 HydrophobicContact CD2-CE2 4.31Å; L311-Y314 WeakPolarHBondContact CD2-OH 2.82Å
312I81Confident71.5Confident62 Ų6259.6 Ų59.632%0.31835%0.354SS..  trans-101173.9-177.960.4172.3000110.7P163 Y314 F317P163-I312 WeakPolarHBondContact CG-O 3.23Å; I312-Y314 HydrophobicContact CD1-CE1 4.43Å; I312-Y314 HydrophobicContact CG1-CD1 4.2Å; I312-Y314 HydrophobicContact CG1-CD2 4.34Å; I312-Y314 HydrophobicContact CG1-CE1 3.91Å; I312-Y314 HydrophobicContact CG1-CE2 4.01Å; I312-Y314 HydrophobicContact CG1-CG 4.4Å; I312-Y314 WeakPolarHBondContact O-CD2 3.39Å; I312-Y314 WeakPolarHBondContact O-CE2 3.19Å; I312-Y314 PolarHBondContact O-N 3.5Å; I312-F317 HydrophobicContact CD1-CB 4Å; I312-F317 HydrophobicContact CD1-CD1 4.41Å; I312-F317 HydrophobicContact CD1-CD2 4.06Å; I312-F317 HydrophobicContact CD1-CG 3.9Å
313D77.4Confident70.4Confident95 Ų9560.5 Ų60.551%0.50836%0.359SS..  trans-72100.2165.9-174.4-17000109.6E315 A316 F317D313-E315 VanDerWaalsContact C-N 3.33Å; D313-E315 PolarHBondContact OD1-N 2.64Å; D313-A316 HydrophobicContact CB-CB 3.99Å; D313-A316 PolarHBondContact OD1-N 3.15Å; D313-F317 VanDerWaalsContact O-CB 3.31Å; D313-F317 WeakPolarHBondContact O-CB 3.49Å; D313-F317 PolarHBondContact O-N 3.42Å
314Y74.1Confident69.2Low7 Ų761.3 Ų61.33%0.02736%0.361CS..Hα-helixtrans-73.5-24.2-179.8-66.6-87.3000112.8P163 L188 D191 L311 I312 C318P163-Y314 HydrophobicContact CG-CD2 4.22Å; L188-Y314 HydrophobicContact CB-CD1 4.47Å; L188-Y314 HydrophobicContact CB-CD2 3.75Å; L188-Y314 HydrophobicContact CB-CE2 3.96Å; L188-Y314 HydrophobicContact CB-CG 4.06Å; L188-Y314 HydrophobicContact CD1-CD2 3.64Å; L188-Y314 HydrophobicContact CD1-CE2 3.37Å; L188-Y314 HydrophobicContact CG-CD2 4.21Å; L188-Y314 HydrophobicContact CG-CE2 4.26Å; D191-Y314 WeakPolarHBondContact CB-OH 3.49Å; D191-Y314 VanDerWaalsContact CG-OH 3.29Å; D191-Y314 VanDerWaalsContact OD2-CE1 3.27Å; D191-Y314 WeakPolarHBondContact OD2-CE1 3.4Å; D191-Y314 PolarHBondContact OD2-OH 3.09Å; L311-Y314 HydrophobicContact CB-CE2 4.22Å; L311-Y314 HydrophobicContact CD2-CE2 4.31Å; L311-Y314 WeakPolarHBondContact CD2-OH 2.82Å; I312-Y314 HydrophobicContact CD1-CE1 4.43Å; I312-Y314 HydrophobicContact CG1-CD1 4.2Å; I312-Y314 HydrophobicContact CG1-CD2 4.34Å; I312-Y314 HydrophobicContact CG1-CE1 3.91Å; I312-Y314 HydrophobicContact CG1-CE2 4.01Å; I312-Y314 HydrophobicContact CG1-CG 4.4Å; I312-Y314 WeakPolarHBondContact O-CD2 3.39Å; I312-Y314 WeakPolarHBondContact O-CE2 3.19Å; I312-Y314 PolarHBondContact O-N 3.5Å; Y314-C318 WeakPolarHBondContact O-CB 3.03Å; Y314-C318 PolarHBondContact O-N 3.28Å; Y314-C318 PolarHBondContact O-SG 3.42Å; Y314-C318 VanDerWaalsContact O-SG 3.41Å
315E70Confident68.3Low85 Ų8560.3 Ų60.340%0.39735%0.354SS..Hα-helixtrans-71.6-42.8175.7-60.4-164142.900110.5D313 G319 S320 A321 A322D313-E315 VanDerWaalsContact C-N 3.33Å; D313-E315 PolarHBondContact OD1-N 2.64Å; E315-G319 VanDerWaalsContact O-CA 3.3Å; E315-G319 WeakPolarHBondContact O-CA 3.47Å; E315-G319 PolarHBondContact O-N 3.29Å; E315-S320 VanDerWaalsContact CA-O 3.27Å; E315-S320 WeakPolarHBondContact CA-O 3.25Å; E315-S320 PolarHBondContact O-N 3.5Å; E315-A321 WeakPolarHBondContact OE1-CA 3.39Å; E315-A322 HydrophobicContact CG-CB 4.17Å; E315-A322 PolarHBondContact OE1-N 3.02Å
316A65.8Low67.4Low73 Ų7357.3 Ų57.360%0.60333%0.333SS*.Hα-helixtrans-65.2-40.7172.400000111.9D313D313-A316 HydrophobicContact CB-CB 3.99Å; D313-A316 PolarHBondContact OD1-N 3.15Å
317F67.2Low66.5Low72 Ų7262 Ų6232%0.31634%0.343SS..Hα-helixtrans-67.6-44.7179.7178.1-108.5000113.1P231 I312 D313P231-F317 HydrophobicContact CB-CE1 4.37Å; P231-F317 VanDerWaalsContact CD-CZ 3.47Å; P231-F317 HydrophobicContact CG-CD1 4.04Å; P231-F317 HydrophobicContact CG-CE1 3.67Å; P231-F317 HydrophobicContact CG-CZ 4Å; I312-F317 HydrophobicContact CD1-CB 4Å; I312-F317 HydrophobicContact CD1-CD1 4.41Å; I312-F317 HydrophobicContact CD1-CD2 4.06Å; I312-F317 HydrophobicContact CD1-CG 3.9Å; D313-F317 VanDerWaalsContact O-CB 3.31Å; D313-F317 WeakPolarHBondContact O-CB 3.49Å; D313-F317 PolarHBondContact O-N 3.42Å
318C60Low66Low6 Ų666 Ų664%0.04135%0.348CS..Hα-helixtrans-82.3-16.9179.3-67.30000112.6P184 P231 P234 Y314 S320P184-C318 HydrophobicContact CG-CB 3.95Å; P231-C318 HydrophobicContact CB-CB 4.42Å; P234-C318 WeakPolarHBondContact CG-O 3.49Å; Y314-C318 WeakPolarHBondContact O-CB 3.03Å; Y314-C318 PolarHBondContact O-N 3.28Å; Y314-C318 PolarHBondContact O-SG 3.42Å; Y314-C318 VanDerWaalsContact O-SG 3.41Å; C318-S320 PolarHBondContact O-N 3.25Å
319G58.1Low65.5Low30 Ų3067.5 Ų67.531%0.30936%0.356SS..THydrogen-bonded Turntrans67.813-172.800000113.7E315 R327E315-G319 VanDerWaalsContact O-CA 3.3Å; E315-G319 WeakPolarHBondContact O-CA 3.47Å; E315-G319 PolarHBondContact O-N 3.29Å; G319-R327 PolarHBondContact O-NH1 2.78Å
320S59.8Low65.5Low26 Ų2669 Ų6918%0.18236%0.359CS..SBendtrans-133.7150.5-176.958.50000111P184 E315 C318P184-S320 WeakPolarHBondContact CG-O 3.2Å; P184-S320 WeakPolarHBondContact CG-OG 3.04Å; E315-S320 VanDerWaalsContact CA-O 3.27Å; E315-S320 WeakPolarHBondContact CA-O 3.25Å; E315-S320 PolarHBondContact O-N 3.5Å; C318-S320 PolarHBondContact O-N 3.25Å
321A58.8Low65.3Low38 Ų3865.4 Ų65.431%0.31435%0.345SS..  trans-74.2148.3179.600000111E315 T323E315-A321 WeakPolarHBondContact OE1-CA 3.39Å; A321-T323 PolarHBondContact O-N 2.79Å; A321-T323 VanDerWaalsContact O-N 3.1Å
322A57.6Low65.3Low8 Ų864.9 Ų64.97%0.06634%0.342CS..SBendtrans-78.420.917400000112.7Q160 N182 P184 E315Q160-A322 PolarHBondContact NE2-O 2.8Å; Q160-A322 VanDerWaalsContact NE2-O 3.13Å; N182-A322 PolarHBondContact ND2-O 2.81Å; P184-A322 HydrophobicContact CB-CB 4.03Å; E315-A322 HydrophobicContact CG-CB 4.17Å; E315-A322 PolarHBondContact OE1-N 3.02Å
323T57.7Low65.4Low30 Ų3064.6 Ų64.618%0.18435%0.346CS..SBendtrans-123.9145.9179.365.80000110.8Y114 A321 K325Y114-T323 HydrophobicContact CE2-CG2 4.22Å; Y114-T323 WeakPolarHBondContact OH-CA 3.39Å; A321-T323 PolarHBondContact O-N 2.79Å; A321-T323 VanDerWaalsContact O-N 3.1Å; T323-K325 PolarHBondContact O-N 3.19Å
324D53.7Low65.6Low28 Ų2869.2 Ų69.215%0.1536%0.361CS..SBendtrans-81.3-2.7178.8-46.2-54.5000112.2Y114 D181 N182 C326Y114-D324 PolarHBondContact OH-N 3.46Å; Y114-D324 VanDerWaalsContact OH-N 3.15Å; Y114-D324 PolarHBondContact OH-OD2 3.05Å; Y114-D324 VanDerWaalsContact OH-OD2 3.05Å; D181-D324 VanDerWaalsContact OD1-OD1 3.08Å; D181-D324 VanDerWaalsContact OD1-OD2 3.1Å; N182-D324 WeakPolarHBondContact CB-OD1 3.34Å; D324-C326 PolarHBondContact O-N 3.24Å
325K58.2Low65.9Low145 Ų14575.1 Ų75.163%0.6339%0.393SS*.SBendtrans-64116172.2-66.4-179.3-178.5173.10109.2T323 R327T323-K325 PolarHBondContact O-N 3.19Å; K325-R327 PolarHBondContact O-N 2.88Å
326C56.1Low66.7Low47 Ų4773.1 Ų73.132%0.31838%0.384SS..PPolyproline II helixtrans-56.4127.2-174.2-159.50000111.4D324 K328 L416 N418D324-C326 PolarHBondContact O-N 3.24Å; C326-K328 PolarHBondContact O-N 3.39Å; C326-L416 HydrophobicContact CB-CD1 3.58Å; C326-L416 VanDerWaalsContact SG-CD1 3.55Å; C326-N418 PolarHBondContact SG-ND2 3.19Å
327R58.3Low67.9Low158 Ų15872 Ų7260%0.59636%0.364SS*.PPolyproline II helixtrans-68.8131.1-177.2-162.8179.1-171173.16.6109.6G319 K325 L329 N418G319-R327 PolarHBondContact O-NH1 2.78Å; K325-R327 PolarHBondContact O-N 2.88Å; R327-L329 PolarHBondContact O-N 2.75Å; R327-N418 PolarHBondContact O-ND2 2.97Å; R327-N418 PolarHBondContact O-OD1 3.19Å
328K61.8Low69.1Low178 Ų17869.3 Ų69.377%0.77435%0.353SS*.  trans-72.9112.5168.6-68.6-179.9-177173.90108.5C326C326-K328 PolarHBondContact O-N 3.39Å
329L66.2Low70.6Confident50 Ų5071.6 Ų71.626%0.26237%0.367SS..  trans-70.9143.8168.4-65.7176.7000109.2R327 L331 N418 Q421R327-L329 PolarHBondContact O-N 2.75Å; L329-L331 HydrophobicContact CB-CG 4.36Å; L329-L331 HydrophobicContact CD1-CD1 4.32Å; L329-N418 HydrophobicContact CD1-CB 3.89Å; L329-N418 HydrophobicContact CG-CB 4.27Å; L329-N418 PolarHBondContact N-OD1 2.96Å; L329-Q421 PolarHBondContact O-NE2 2.9Å; L329-Q421 PolarHBondContact O-OE1 3.19Å
330N72.8Confident72.2Confident129 Ų12970.2 Ų70.269%0.6935%0.352SS*.  trans-129.969.3172.5-71.7-36.1000108.2
331L76.4Confident73.7Confident76 Ų7672.8 Ų72.840%0.39836%0.362SS..  trans-89.5-22.2-178.9-63.2173.8000112.6L329 Q421 K422L329-L331 HydrophobicContact CB-CG 4.36Å; L329-L331 HydrophobicContact CD1-CD1 4.32Å; L331-Q421 HydrophobicContact CB-CB 4.31Å; L331-Q421 HydrophobicContact CD1-CB 4.38Å; L331-K422 HydrophobicContact CD1-CG 3.91Å
332L80.8Confident75.2Confident19 Ų1975.1 Ų75.110%0.09937%0.369CS..SBendtrans-109.2150.7-173.9-61-178.2000112.5Q336 R337 Q421 V424 Q425 D442L332-Q336 HydrophobicContact CB-CB 4.05Å; L332-Q336 HydrophobicContact CD1-CB 4.22Å; L332-R337 HydrophobicContact CB-CG 4.1Å; L332-Q421 HydrophobicContact CD1-CB 4.06Å; L332-Q421 HydrophobicContact CD1-CG 3.91Å; L332-Q421 HydrophobicContact CG-CB 4.06Å; L332-Q421 HydrophobicContact CG-CG 4.1Å; L332-V424 HydrophobicContact CD1-CB 3.74Å; L332-V424 HydrophobicContact CD1-CG1 3.73Å; L332-V424 HydrophobicContact CD1-CG2 3.94Å; L332-V424 HydrophobicContact CD2-CB 4.28Å; L332-V424 HydrophobicContact CD2-CG1 3.89Å; L332-V424 HydrophobicContact CG-CG1 4.49Å; L332-Q425 HydrophobicContact CD2-CG 3.91Å; L332-D442 HydrophobicContact CD1-CB 4.09Å
333S82.4Confident76.8Confident57 Ų5774.8 Ų74.840%0.39937%0.366SS..  trans-71.4159.1170.167.50000111.3D335 Q336 R337S333-D335 PolarHBondContact O-N 3.19Å; S333-D335 VanDerWaalsContact O-N 3.11Å; S333-Q336 PolarHBondContact O-N 3.25Å; S333-Q336 VanDerWaalsContact O-N 3.09Å; S333-Q336 PolarHBondContact OG-OE1 2.96Å; S333-R337 WeakPolarHBondContact O-CG 3.27Å
334K81.1Confident78.4Confident192 Ų19276.2 Ų76.284%0.83537%0.369SS*.G310 helixtrans-56.3-31-177.5-71.3-175.7179.6178.60113.5Q336 R337K334-Q336 VanDerWaalsContact C-N 3.29Å; K334-Q336 PolarHBondContact O-N 2.67Å; K334-R337 PolarHBondContact O-N 3.42Å
335D81.9Confident80.1Confident130 Ų13077.8 Ų77.870%0.69538%0.382SS*.G310 helixtrans-74.3-22.4-176.8-58.2-43.9000113.1S333 R337 K441S333-D335 PolarHBondContact O-N 3.19Å; S333-D335 VanDerWaalsContact O-N 3.11Å; D335-R337 VanDerWaalsContact C-N 3.29Å; D335-K441 WeakPolarHBondContact O-CE 3.49Å; D335-K441 PolarHBondContact O-NZ 3.32Å
336Q85.8Confident81.5Confident44 Ų4472.5 Ų72.521%0.20636%0.362CS..G310 helixtrans-88.75.1176.3-65.3167-5700112.5L332 S333 K334 E428 K441 D442L332-Q336 HydrophobicContact CB-CB 4.05Å; L332-Q336 HydrophobicContact CD1-CB 4.22Å; S333-Q336 PolarHBondContact O-N 3.25Å; S333-Q336 VanDerWaalsContact O-N 3.09Å; S333-Q336 PolarHBondContact OG-OE1 2.96Å; K334-Q336 VanDerWaalsContact C-N 3.29Å; K334-Q336 PolarHBondContact O-N 2.67Å; Q336-E428 PolarHBondContact NE2-OE1 3.13Å; Q336-E428 PolarHBondContact NE2-OE2 3.15Å; Q336-K441 CarbonylContact O-C 3.56Å; Q336-K441 WeakPolarHBondContact O-CA 3.47Å; Q336-D442 PolarHBondContact O-N 3.42Å
337R90.5Very high83Confident49 Ų4971.7 Ų71.719%0.18536%0.356CS..EExtended strand (participates in β ladder)trans-122.3149.7-179.9-40.6-162.463.9179.60.2111L332 S333 K334 D335 Q421 D442 C444L332-R337 HydrophobicContact CB-CG 4.1Å; S333-R337 WeakPolarHBondContact O-CG 3.27Å; K334-R337 PolarHBondContact O-N 3.42Å; D335-R337 VanDerWaalsContact C-N 3.29Å; R337-Q421 VanDerWaalsContact NH2-NE2 3.18Å; R337-D442 WeakPolarHBondContact CA-OD1 3.48Å; R337-D442 WeakPolarHBondContact CB-OD1 3.46Å; R337-D442 WeakPolarHBondContact CD-OD1 3.43Å; R337-D442 WeakPolarHBondContact CG-OD1 3.39Å; R337-D442 IonicContact CZ-OD1 3.64Å; R337-D442 IonicContact CZ-OD2 3.91Å; R337-D442 IonicContact NE-OD1 3.24Å; R337-D442 PolarHBondContact NE-OD1 3.03Å; R337-D442 IonicContact NE-OD2 2.77Å; R337-D442 PolarHBondContact NE-OD2 2.98Å; R337-D442 IonicContact NH2-OD1 3.4Å; R337-D442 IonicContact NH2-OD2 3.85Å; R337-D442 PolarHBondContact NH2-OD2 3.02Å; R337-C444 VanDerWaalsContact CB-SG 3.6Å; R337-C444 PolarHBondContact NE-SG 2.99Å
338I92.3Very high84.5Confident16 Ų1668.7 Ų68.78%0.08235%0.352CS..EExtended strand (participates in β ladder)trans-129.4141.1172.7-169166.7000110D342 V346 Y411 D442 V443 C444I338-D342 HydrophobicContact CD1-CB 3.94Å; I338-D342 HydrophobicContact CG1-CB 3.59Å; I338-V346 HydrophobicContact CD1-CG2 4.3Å; I338-Y411 HydrophobicContact CB-CE1 4.36Å; I338-Y411 HydrophobicContact CD1-CD1 4.41Å; I338-Y411 HydrophobicContact CD1-CE1 3.63Å; I338-Y411 HydrophobicContact CG2-CD1 3.69Å; I338-Y411 HydrophobicContact CG2-CE1 3.92Å; I338-D442 WeakPolarHBondContact CG2-O 3.42Å; I338-D442 PolarHBondContact N-O 2.83Å; I338-V443 HydrophobicContact CG2-CG2 4.1Å; I338-C444 WeakPolarHBondContact O-CB 3.18Å; I338-C444 PolarHBondContact O-N 3.43Å
339T92.3Very high85.7Confident53 Ų5366.6 Ų66.633%0.32535%0.349SS..  trans-75.1156.7174.474.80000110.8Q341 D342 Y343T339-Q341 PolarHBondContact O-N 3.37Å; T339-D342 PolarHBondContact O-N 2.79Å; T339-D342 PolarHBondContact OG1-N 2.8Å; T339-D342 VanDerWaalsContact OG1-N 3.15Å; T339-D342 PolarHBondContact OG1-OD2 3.43Å; T339-Y343 WeakPolarHBondContact O-CB 3.26Å; T339-Y343 PolarHBondContact O-N 2.83Å
340V91.4Very high86.2Confident1 Ų169.1 Ų69.11%0.00637%0.371CS..Hα-helixtrans-61-30.2176.5-68.60000112.6K344 V443 A449 W450 K453 I454V340-K344 VanDerWaalsContact O-CB 3.28Å; V340-K344 WeakPolarHBondContact O-CB 3.49Å; V340-K344 PolarHBondContact O-N 3.09Å; V340-V443 HydrophobicContact CG1-CG1 3.59Å; V340-A449 HydrophobicContact CG1-CB 3.83Å; V340-A449 HydrophobicContact CG2-CB 4.29Å; V340-W450 HydrophobicContact CG1-CB 4.44Å; V340-K453 HydrophobicContact CG2-CB 4.04Å; V340-K453 HydrophobicContact CG2-CD 3.75Å; V340-K453 HydrophobicContact CG2-CG 4.48Å; V340-I454 HydrophobicContact CB-CG1 4.14Å; V340-I454 HydrophobicContact CG2-CD1 4.45Å; V340-I454 HydrophobicContact CG2-CG1 4.21Å
341Q91.9Very high86.3Confident81 Ų8164.5 Ų64.538%0.37935%0.353SS..Hα-helixtrans-72.6-43.3176.6-62.698.7-43.800112.4T339 Y343 K344 S345 I454T339-Q341 PolarHBondContact O-N 3.37Å; Q341-Y343 VanDerWaalsContact C-N 3.32Å; Q341-K344 PolarHBondContact O-N 3.32Å; Q341-S345 PolarHBondContact O-N 3.46Å; Q341-S345 PolarHBondContact O-OG 2.82Å; Q341-I454 HydrophobicContact CG-CD1 4.03Å
342D90.8Very high86.7Confident87 Ų8764.4 Ų64.447%0.46535%0.353SS..Hα-helixtrans-66.1-41.1175.7-59.4-36.1000110.1I338 T339 S345 V346I338-D342 HydrophobicContact CD1-CB 3.94Å; I338-D342 HydrophobicContact CG1-CB 3.59Å; T339-D342 PolarHBondContact O-N 2.79Å; T339-D342 PolarHBondContact OG1-N 2.8Å; T339-D342 VanDerWaalsContact OG1-N 3.15Å; T339-D342 PolarHBondContact OG1-OD2 3.43Å; D342-S345 VanDerWaalsContact O-CB 3.31Å; D342-S345 WeakPolarHBondContact O-CB 3.19Å; D342-S345 PolarHBondContact O-N 3.04Å; D342-S345 VanDerWaalsContact O-N 3.16Å; D342-V346 PolarHBondContact O-N 3.32Å; D342-V346 VanDerWaalsContact O-N 3.09Å
343Y91.1Very high87.2Confident0 Ų064.9 Ų64.90%036%0.355CS..Hα-helixtrans-63.6-42175.5-178.7-111.6000112T339 Q341 S345 V346 V347 H353 L355 F371 Y411 V443 W450T339-Y343 WeakPolarHBondContact O-CB 3.26Å; T339-Y343 PolarHBondContact O-N 2.83Å; Q341-Y343 VanDerWaalsContact C-N 3.32Å; Y343-S345 PolarHBondContact O-N 3.16Å; Y343-V346 WeakPolarHBondContact O-CB 3.09Å; Y343-V346 PolarHBondContact O-N 3.18Å; Y343-V347 HydrophobicContact CD1-CG2 4.35Å; Y343-V347 HydrophobicContact CE1-CG2 3.8Å; Y343-V347 HydrophobicContact CE2-CG2 4.19Å; Y343-V347 WeakPolarHBondContact O-CG2 3.35Å; Y343-V347 PolarHBondContact O-N 3.46Å; Y343-H353 AromaticContact CE2-CD2 3.85Å; Y343-H353 AromaticContact CE2-NE2 3.69Å; Y343-H353 AromaticContact CZ-NE2 3.62Å; Y343-H353 PolarHBondContact OH-CD2 2.65Å; Y343-H353 PolarHBondContact OH-NE2 2.93Å; Y343-L355 HydrophobicContact CE1-CD1 4.19Å; Y343-L355 HydrophobicContact CE1-CD2 4.31Å; Y343-L355 HydrophobicContact CE2-CD1 4.47Å; Y343-L355 WeakPolarHBondContact OH-CB 3.4Å; Y343-L355 WeakPolarHBondContact OH-CD2 3.37Å; Y343-F371 WeakPolarHBondContact OH-CE2 3.37Å; Y343-Y411 AromaticContact CD2-CD1 3.97Å; Y343-Y411 HydrophobicContact CD2-CD1 3.97Å; Y343-Y411 HydrophobicContact CD2-CD2 4.07Å; Y343-Y411 HydrophobicContact CD2-CE1 4.32Å; Y343-Y411 HydrophobicContact CD2-CE2 4.4Å; Y343-Y411 AromaticContact CD2-CG 3.81Å; Y343-Y411 HydrophobicContact CD2-CG 3.81Å; Y343-Y411 HydrophobicContact CE2-CD1 4.28Å; Y343-Y411 AromaticContact CE2-CD2 3.63Å; Y343-Y411 HydrophobicContact CE2-CD2 3.63Å; Y343-Y411 HydrophobicContact CE2-CE2 4.21Å; Y343-Y411 AromaticContact CE2-CG 3.63Å; Y343-Y411 HydrophobicContact CE2-CG 3.63Å; Y343-V443 HydrophobicContact CD1-CG2 4.32Å; Y343-V443 HydrophobicContact CD2-CG2 4.49Å; Y343-V443 HydrophobicContact CG-CG2 4.2Å; Y343-W450 HydrophobicContact CD1-CE3 4.39Å; Y343-W450 AromaticContact CD1-CZ3 3.83Å; Y343-W450 HydrophobicContact CD1-CZ3 3.83Å; Y343-W450 HydrophobicContact CE1-CZ3 4.21Å
344K90.9Very high87.6Confident61 Ų6162.4 Ų62.427%0.26534%0.337SS..Hα-helixtrans-57.3-39.9172.7177.955.9171.6158.30111.6V340 Q341 V346 V347 D348 W450 I454V340-K344 VanDerWaalsContact O-CB 3.28Å; V340-K344 WeakPolarHBondContact O-CB 3.49Å; V340-K344 PolarHBondContact O-N 3.09Å; Q341-K344 PolarHBondContact O-N 3.32Å; K344-V346 VanDerWaalsContact C-N 3.32Å; K344-V346 PolarHBondContact O-N 2.88Å; K344-V347 PolarHBondContact O-N 3.42Å; K344-D348 VanDerWaalsContact CE-OD1 3.22Å; K344-D348 WeakPolarHBondContact CE-OD1 3.33Å; K344-D348 WeakPolarHBondContact CE-OD2 3.31Å; K344-D348 IonicContact NZ-OD1 2.62Å; K344-D348 PolarHBondContact NZ-OD1 2.85Å; K344-D348 IonicContact NZ-OD2 3.43Å; K344-D348 WeakPolarHBondContact O-CB 3.44Å; K344-D348 VanDerWaalsContact O-CG 3.3Å; K344-D348 PolarHBondContact O-N 2.59Å; K344-W450 HydrophobicContact CB-CH2 4.34Å; K344-W450 HydrophobicContact CB-CZ3 4.05Å; K344-W450 HydrophobicContact CD-CH2 3.68Å; K344-W450 HydrophobicContact CD-CZ2 4.38Å; K344-W450 HydrophobicContact CD-CZ3 4.27Å; K344-I454 HydrophobicContact CB-CD1 3.9Å; K344-I454 HydrophobicContact CB-CG1 4.39Å; K344-I454 HydrophobicContact CB-CG2 4.26Å; K344-I454 HydrophobicContact CD-CG2 3.75Å; K344-I454 HydrophobicContact CG-CD1 4.2Å; K344-I454 HydrophobicContact CG-CG2 3.82Å
345S90.2Very high88.2Confident60 Ų6053.4 Ų53.442%0.4230%0.298SS..Hα-helixtrans-63-36.6175.2-540000112.3Q341 D342 Y343 N349Q341-S345 PolarHBondContact O-N 3.46Å; Q341-S345 PolarHBondContact O-OG 2.82Å; D342-S345 VanDerWaalsContact O-CB 3.31Å; D342-S345 WeakPolarHBondContact O-CB 3.19Å; D342-S345 PolarHBondContact O-N 3.04Å; D342-S345 VanDerWaalsContact O-N 3.16Å; Y343-S345 PolarHBondContact O-N 3.16Å; S345-N349 WeakPolarHBondContact O-CB 3.22Å; S345-N349 VanDerWaalsContact O-CG 3.23Å; S345-N349 PolarHBondContact O-N 2.88Å; S345-N349 VanDerWaalsContact O-N 3.07Å; S345-N349 PolarHBondContact O-ND2 3.17Å
346V87.7Confident88.8Confident35 Ų3547.2 Ų47.221%0.21227%0.265CS..Hα-helixtrans-64.4-42.5173.5176.30000111.3I338 D342 Y343 K344 G351 Y411I338-V346 HydrophobicContact CD1-CG2 4.3Å; D342-V346 PolarHBondContact O-N 3.32Å; D342-V346 VanDerWaalsContact O-N 3.09Å; Y343-V346 WeakPolarHBondContact O-CB 3.09Å; Y343-V346 PolarHBondContact O-N 3.18Å; K344-V346 VanDerWaalsContact C-N 3.32Å; K344-V346 PolarHBondContact O-N 2.88Å; V346-G351 PolarHBondContact O-N 3.04Å; V346-Y411 HydrophobicContact CG1-CE2 4.17Å
347V87.6Confident89.2Confident29 Ų2945.1 Ų45.118%0.17626%0.255CS..Hα-helixtrans-65.6-45.5177.9176.10000111.2Y343 K344 N349 S350 F371Y343-V347 HydrophobicContact CD1-CG2 4.35Å; Y343-V347 HydrophobicContact CE1-CG2 3.8Å; Y343-V347 HydrophobicContact CE2-CG2 4.19Å; Y343-V347 WeakPolarHBondContact O-CG2 3.35Å; Y343-V347 PolarHBondContact O-N 3.46Å; K344-V347 PolarHBondContact O-N 3.42Å; V347-N349 VanDerWaalsContact C-N 3.32Å; V347-N349 PolarHBondContact O-N 3.16Å; V347-S350 PolarHBondContact O-N 3.47Å; V347-F371 HydrophobicContact CG1-CE1 4.2Å; V347-F371 HydrophobicContact CG1-CZ 4Å; V347-F371 HydrophobicContact CG2-CE2 4.21Å; V347-F371 HydrophobicContact CG2-CZ 4.04Å
348D88Confident89.2Confident96 Ų9643 Ų4351%0.51325%0.247SC..Hα-helixtrans-67.9-33.3-177.8-70.1-19.6000112.3K344 S350K344-D348 VanDerWaalsContact CE-OD1 3.22Å; K344-D348 WeakPolarHBondContact CE-OD1 3.33Å; K344-D348 WeakPolarHBondContact CE-OD2 3.31Å; K344-D348 IonicContact NZ-OD1 2.62Å; K344-D348 PolarHBondContact NZ-OD1 2.85Å; K344-D348 IonicContact NZ-OD2 3.43Å; K344-D348 WeakPolarHBondContact O-CB 3.44Å; K344-D348 VanDerWaalsContact O-CG 3.3Å; K344-D348 PolarHBondContact O-N 2.59Å; D348-S350 PolarHBondContact O-N 3.35Å
349N86.8Confident89.2Confident134 Ų13442.3 Ų42.372%0.71724%0.244SC*.THydrogen-bonded Turntrans-76.55.2172.9-69.1-36.5000113.5S345 V347 G351S345-N349 WeakPolarHBondContact O-CB 3.22Å; S345-N349 VanDerWaalsContact O-CG 3.23Å; S345-N349 PolarHBondContact O-N 2.88Å; S345-N349 VanDerWaalsContact O-N 3.07Å; S345-N349 PolarHBondContact O-ND2 3.17Å; V347-N349 VanDerWaalsContact C-N 3.32Å; V347-N349 PolarHBondContact O-N 3.16Å; N349-G351 PolarHBondContact O-N 2.94Å
350S77.5Confident89Confident103 Ų10342.7 Ų42.772%0.7225%0.247SC*.THydrogen-bonded Turntrans52.334.8-176.8-58.60000113.2V347 D348 L352V347-S350 PolarHBondContact O-N 3.47Å; D348-S350 PolarHBondContact O-N 3.35Å; S350-L352 PolarHBondContact O-N 2.85Å
351G76.1Confident88.8Confident31 Ų3147.6 Ų47.632%0.3227%0.273SS..  trans-61.4134.7178.600000110.9V346 N349 H353V346-G351 PolarHBondContact O-N 3.04Å; N349-G351 PolarHBondContact O-N 2.94Å; G351-H353 PolarHBondContact O-N 3.22Å; G351-H353 VanDerWaalsContact O-N 3.13Å; G351-H353 PolarHBondContact O-ND1 3.19Å
352L84.7Confident88.5Confident74 Ų7448.9 Ų48.939%0.38729%0.285SS..  trans-66.4110.8174.4-69.2175.1000109.5S350 L398 Q401 M402 P409S350-L352 PolarHBondContact O-N 2.85Å; L352-L398 HydrophobicContact CB-CD1 4.04Å; L352-L398 HydrophobicContact CD2-CD1 4.49Å; L352-Q401 HydrophobicContact CD1-CB 3.95Å; L352-Q401 WeakPolarHBondContact CD1-O 3.28Å; L352-Q401 HydrophobicContact CD2-CB 4.45Å; L352-M402 HydrophobicContact CB-CG 4.23Å; L352-M402 HydrophobicContact CD1-CG 3.8Å; L352-P409 VanDerWaalsContact O-CG 3.27Å; L352-P409 WeakPolarHBondContact O-CG 3.36Å
353H89.7Confident88.3Confident30 Ų3046.6 Ų46.614%0.13927%0.272CS..  trans-151.2165179.969.6-79.7000111.9Y343 G351 P409 Y411Y343-H353 AromaticContact CE2-CD2 3.85Å; Y343-H353 AromaticContact CE2-NE2 3.69Å; Y343-H353 AromaticContact CZ-NE2 3.62Å; Y343-H353 PolarHBondContact OH-CD2 2.65Å; Y343-H353 PolarHBondContact OH-NE2 2.93Å; G351-H353 PolarHBondContact O-N 3.22Å; G351-H353 VanDerWaalsContact O-N 3.13Å; G351-H353 PolarHBondContact O-ND1 3.19Å; H353-P409 HydrophobicContact CB-CG 3.97Å; H353-Y411 HydrophobicContact CB-CD2 3.87Å; H353-Y411 HydrophobicContact CB-CE2 3.73Å; H353-Y411 AromaticContact CD2-CD2 3.71Å
354I91.5Very high88.1Confident5 Ų547.1 Ų47.13%0.02628%0.275CS..EExtended strand (participates in β ladder)trans-109.1129.3168.6-65165.7000108.1R394 I395 L398 P409 V410 Y411I354-R394 HydrophobicContact CD1-CB 4.19Å; I354-R394 HydrophobicContact CD1-CG 3.84Å; I354-R394 HydrophobicContact CG1-CG 4Å; I354-I395 HydrophobicContact CD1-CB 4.46Å; I354-I395 HydrophobicContact CD1-CG1 3.79Å; I354-L398 HydrophobicContact CD1-CB 4.33Å; I354-L398 HydrophobicContact CD1-CD2 4.25Å; I354-L398 HydrophobicContact CG1-CD2 4.05Å; I354-P409 PolarHBondContact N-O 2.81Å; I354-V410 HydrophobicContact CB-CG2 4.38Å; I354-V410 HydrophobicContact CD1-CG2 4.5Å; I354-V410 HydrophobicContact CG2-CG1 4.43Å; I354-V410 WeakPolarHBondContact O-CA 3.48Å; I354-Y411 PolarHBondContact O-N 2.85Å
355L93.7Very high88Confident3 Ų350 Ų502%0.01629%0.293CS..EExtended strand (participates in β ladder)trans-102.8117.4167.3-179.964.3000109Y343 L369 F371 S372 L373 Y411 I413Y343-L355 HydrophobicContact CE1-CD1 4.19Å; Y343-L355 HydrophobicContact CE1-CD2 4.31Å; Y343-L355 HydrophobicContact CE2-CD1 4.47Å; Y343-L355 WeakPolarHBondContact OH-CB 3.4Å; Y343-L355 WeakPolarHBondContact OH-CD2 3.37Å; L355-L369 HydrophobicContact CD2-CB 4.08Å; L355-L369 HydrophobicContact CD2-CD1 3.61Å; L355-L369 HydrophobicContact CD2-CG 4.46Å; L355-F371 HydrophobicContact CB-CD2 4.26Å; L355-F371 HydrophobicContact CB-CE2 4.41Å; L355-F371 HydrophobicContact CD2-CD2 3.95Å; L355-F371 HydrophobicContact CD2-CE2 3.54Å; L355-S372 WeakPolarHBondContact O-CA 3.48Å; L355-L373 PolarHBondContact O-N 2.78Å; L355-Y411 CarbonylContact C-O 3.5Å; L355-Y411 WeakPolarHBondContact CA-O 3.49Å; L355-I413 HydrophobicContact CD1-CB 3.98Å; L355-I413 HydrophobicContact CD1-CG2 3.77Å; L355-I413 HydrophobicContact CD2-CG2 4.31Å; L355-I413 HydrophobicContact CG-CG2 4.11Å
356L94.1Very high87.8Confident0 Ų051.6 Ų51.60%030%0.296CS..EExtended strand (participates in β ladder)trans-101.7115.8178.6-168.965.1000110.3V358 L373 I375 L380 L391 V410 Y411 V412 I413 L427L356-V358 HydrophobicContact CD2-CG1 3.93Å; L356-V358 HydrophobicContact CG-CG1 3.94Å; L356-L373 CarbonylContact C-O 3.5Å; L356-L373 WeakPolarHBondContact CA-O 3.22Å; L356-L373 HydrophobicContact CD1-CB 4.43Å; L356-L373 HydrophobicContact CD1-CD2 4.26Å; L356-L373 HydrophobicContact CD1-CG 4.26Å; L356-L373 WeakPolarHBondContact CD1-O 3.49Å; L356-I375 HydrophobicContact CD1-CB 3.7Å; L356-I375 HydrophobicContact CD1-CD1 3.79Å; L356-I375 HydrophobicContact CD1-CG1 3.62Å; L356-L380 HydrophobicContact CD2-CD1 4.06Å; L356-L391 HydrophobicContact CD1-CD1 4.49Å; L356-V410 HydrophobicContact CB-CG1 4.47Å; L356-Y411 PolarHBondContact N-O 2.79Å; L356-V412 HydrophobicContact CB-CG2 4.46Å; L356-V412 CarbonylContact O-C 3.29Å; L356-V412 WeakPolarHBondContact O-CA 3.46Å; L356-I413 PolarHBondContact O-N 2.96Å; L356-L427 HydrophobicContact CD2-CD1 3.83Å
357D93.7Very high87.9Confident0 Ų050.4 Ų50.40%029%0.29CS..EExtended strand (participates in β ladder)trans-90.8111.5171-166.5-32.9000109.7R359 L373 N374 I375 I413D357-R359 VanDerWaalsContact OD1-CB 3.26Å; D357-R359 WeakPolarHBondContact OD1-CB 3.35Å; D357-R359 VanDerWaalsContact OD1-CG 3.28Å; D357-R359 WeakPolarHBondContact OD1-CG 3.15Å; D357-R359 IonicContact OD1-CZ 2.85Å; D357-R359 PolarHBondContact OD1-N 3.29Å; D357-R359 IonicContact OD1-NE 3.03Å; D357-R359 PolarHBondContact OD1-NE 3.3Å; D357-R359 IonicContact OD1-NH2 3.28Å; D357-R359 IonicContact OD2-CZ 2.77Å; D357-R359 IonicContact OD2-NE 3.88Å; D357-R359 PolarHBondContact OD2-NE 2.89Å; D357-R359 VanDerWaalsContact OD2-NE 3.17Å; D357-R359 IonicContact OD2-NH2 2.91Å; D357-R359 PolarHBondContact OD2-NH2 2.81Å; D357-L373 PolarHBondContact N-O 3.02Å; D357-N374 WeakPolarHBondContact O-CA 3.46Å; D357-N374 PolarHBondContact O-ND2 2.75Å; D357-I375 PolarHBondContact O-N 3.23Å; D357-I413 WeakPolarHBondContact CA-O 3.47Å; D357-I413 HydrophobicContact CB-CG2 4.21Å
358V92.1Very high88Confident3 Ų353.4 Ų53.42%0.01830%0.301CS..  trans-94.27.7-175.2-60.80000114L356 I375 L377 L380 V412 I413 C414 D419 A423L356-V358 HydrophobicContact CD2-CG1 3.93Å; L356-V358 HydrophobicContact CG-CG1 3.94Å; V358-I375 VanDerWaalsContact CA-O 3.31Å; V358-I375 WeakPolarHBondContact CA-O 3.21Å; V358-L377 HydrophobicContact CB-CB 4.3Å; V358-L377 PolarHBondContact O-N 3.3Å; V358-L380 HydrophobicContact CG1-CD1 3.87Å; V358-V412 HydrophobicContact CB-CG1 4.37Å; V358-V412 HydrophobicContact CG1-CG1 3.49Å; V358-V412 VanDerWaalsContact CG1-CG1 3.49Å; V358-V412 HydrophobicContact CG2-CG1 3.96Å; V358-I413 PolarHBondContact N-O 2.86Å; V358-C414 HydrophobicContact CG2-CB 3.82Å; V358-D419 HydrophobicContact CG2-CB 4.41Å; V358-A423 HydrophobicContact CB-CB 4.31Å; V358-A423 HydrophobicContact CG1-CB 3.78Å; V358-A423 HydrophobicContact CG2-CB 4.18Å
359R91.7Very high88.1Confident3 Ų349.2 Ų49.21%0.01128%0.279CS..SBendtrans-71.2155.2176.9-62.5177.3-64.4151.66.3111.2D357 E363 V364 C367 N374 C414 L447 Y461D357-R359 VanDerWaalsContact OD1-CB 3.26Å; D357-R359 WeakPolarHBondContact OD1-CB 3.35Å; D357-R359 VanDerWaalsContact OD1-CG 3.28Å; D357-R359 WeakPolarHBondContact OD1-CG 3.15Å; D357-R359 IonicContact OD1-CZ 2.85Å; D357-R359 PolarHBondContact OD1-N 3.29Å; D357-R359 IonicContact OD1-NE 3.03Å; D357-R359 PolarHBondContact OD1-NE 3.3Å; D357-R359 IonicContact OD1-NH2 3.28Å; D357-R359 IonicContact OD2-CZ 2.77Å; D357-R359 IonicContact OD2-NE 3.88Å; D357-R359 PolarHBondContact OD2-NE 2.89Å; D357-R359 VanDerWaalsContact OD2-NE 3.17Å; D357-R359 IonicContact OD2-NH2 2.91Å; D357-R359 PolarHBondContact OD2-NH2 2.81Å; R359-E363 HydrophobicContact CB-CB 3.96Å; R359-E363 WeakPolarHBondContact CD-OE2 3.44Å; R359-E363 PolarHBondContact NH1-O 3.36Å; R359-V364 HydrophobicContact CB-CG2 4.18Å; R359-C367 PolarHBondContact NH1-O 3.11Å; R359-C367 PolarHBondContact NH2-O 3.35Å; R359-N374 PolarHBondContact O-ND2 2.91Å; R359-C414 HydrophobicContact CG-CB 4.16Å; R359-L447 VanDerWaalsContact NH1-CD1 3.33Å; R359-Y461 WeakPolarHBondContact CD-OH 3.25Å; R359-Y461 PolarHBondContact NH1-OH 2.76Å
360P87.8Confident88Confident61 Ų6148.5 Ų48.540%0.39628%0.282SS..  trans-55.9149.4167.8-23.434.4000111.8V362 E363 V364P360-V362 HydrophobicContact CB-CG2 3.93Å; P360-V362 PolarHBondContact O-N 3.5Å; P360-E363 PolarHBondContact O-N 3.42Å; P360-V364 PolarHBondContact O-N 2.71Å
361L87.5Confident88.5Confident104 Ų10448.1 Ų48.155%0.54527%0.267SS..Hα-helixtrans-54.3-33.9-178.6-174.462.7000113E363 V364 N365L361-E363 VanDerWaalsContact C-N 3.28Å; L361-E363 PolarHBondContact O-N 2.91Å; L361-V364 PolarHBondContact O-N 3.3Å; L361-N365 WeakPolarHBondContact O-CB 3.32Å; L361-N365 PolarHBondContact O-N 3.28Å; L361-N365 PolarHBondContact O-ND2 3.17Å
362V85.6Confident89.3Confident107 Ų10747.6 Ų47.665%0.64826%0.259SS*.Hα-helixtrans-60.7-34.6176.7-66.50000113.1P360P360-V362 HydrophobicContact CB-CG2 3.93Å; P360-V362 PolarHBondContact O-N 3.5Å
363E86.2Confident89.7Confident40 Ų4046 Ų4619%0.18725%0.25CS..Hα-helixtrans-80.1-35.4177-73.1-173-129.600112.2R359 P360 L361 N365 I366 C367 Y461R359-E363 HydrophobicContact CB-CB 3.96Å; R359-E363 WeakPolarHBondContact CD-OE2 3.44Å; R359-E363 PolarHBondContact NH1-O 3.36Å; P360-E363 PolarHBondContact O-N 3.42Å; L361-E363 VanDerWaalsContact C-N 3.28Å; L361-E363 PolarHBondContact O-N 2.91Å; E363-N365 VanDerWaalsContact C-N 3.25Å; E363-N365 PolarHBondContact O-N 3.1Å; E363-I366 WeakPolarHBondContact O-CB 3.3Å; E363-I366 PolarHBondContact O-N 3.45Å; E363-I366 VanDerWaalsContact O-N 3.09Å; E363-C367 PolarHBondContact O-N 3.09Å; E363-Y461 HydrophobicContact CG-CE2 4.13Å; E363-Y461 PolarHBondContact OE2-OH 3.27Å
364V87.2Confident89.9Confident11 Ų1146.3 Ų46.37%0.06725%0.253CS..Hα-helixtrans-64-34.4175.2176.20000111.5R359 P360 L361 I366 C367 H368 N374R359-V364 HydrophobicContact CB-CG2 4.18Å; P360-V364 PolarHBondContact O-N 2.71Å; L361-V364 PolarHBondContact O-N 3.3Å; V364-I366 PolarHBondContact O-N 2.84Å; V364-C367 CarbonylContact O-C 3.56Å; V364-C367 PolarHBondContact O-N 2.89Å; V364-H368 HydrophobicContact CG1-CB 3.83Å; V364-H368 PolarHBondContact O-ND1 2.84Å; V364-H368 VanDerWaalsContact O-ND1 3.14Å; V364-N374 HydrophobicContact CG1-CB 4.18Å; V364-N374 HydrophobicContact CG2-CB 4.17Å; V364-N374 WeakPolarHBondContact CG2-ND2 3.2Å
365N88.4Confident90Very high120 Ų12046 Ų4664%0.64225%0.252SS*.THydrogen-bonded Turntrans-67.5-21.8174.1-70.1-20.6000113.4L361 E363L361-N365 WeakPolarHBondContact O-CB 3.32Å; L361-N365 PolarHBondContact O-N 3.28Å; L361-N365 PolarHBondContact O-ND2 3.17Å; E363-N365 VanDerWaalsContact C-N 3.25Å; E363-N365 PolarHBondContact O-N 3.1Å
366I87Confident89.9Confident95 Ų9547 Ų4749%0.48726%0.258SS..THydrogen-bonded Turntrans-72.5-54.2174-61.3171.3000109.4E363 V364 Y461E363-I366 WeakPolarHBondContact O-CB 3.3Å; E363-I366 PolarHBondContact O-N 3.45Å; E363-I366 VanDerWaalsContact O-N 3.09Å; V364-I366 PolarHBondContact O-N 2.84Å; I366-Y461 HydrophobicContact CD1-CD2 4Å; I366-Y461 HydrophobicContact CD1-CE2 4.12Å; I366-Y461 HydrophobicContact CD1-CG 4.39Å; I366-Y461 HydrophobicContact CG2-CD1 4.11Å; I366-Y461 HydrophobicContact CG2-CG 4.3Å
367C88.5Confident89.7Confident10 Ų1047.9 Ų47.97%0.06826%0.263CS..  trans-159.8146.9177.260.90000109.4R359 E363 V364 F458 P459R359-C367 PolarHBondContact NH1-O 3.11Å; R359-C367 PolarHBondContact NH2-O 3.35Å; E363-C367 PolarHBondContact O-N 3.09Å; V364-C367 CarbonylContact O-C 3.56Å; V364-C367 PolarHBondContact O-N 2.89Å; C367-F458 HydrophobicContact CB-CE1 4.01Å; C367-F458 HydrophobicContact CB-CE2 4.34Å; C367-F458 HydrophobicContact CB-CZ 3.72Å; C367-F458 WeakPolarHBondContact SG-CE1 3.45Å; C367-P459 HydrophobicContact CB-CB 4.06Å; C367-P459 HydrophobicContact CB-CG 3.93Å
368H91Very high89.3Confident91 Ų9150.8 Ų50.842%0.42128%0.283SS..  trans-152.4164.3172.462.4-83.8000109.8V364V364-H368 HydrophobicContact CG1-CB 3.83Å; V364-H368 PolarHBondContact O-ND1 2.84Å; V364-H368 VanDerWaalsContact O-ND1 3.14Å
369L89.3Confident89.1Confident8 Ų850.9 Ų50.94%0.04228%0.284CS..  trans-81132.9173-68.2173.4000108.6L355 F371 S372 I413 L447 W450 F458L355-L369 HydrophobicContact CD2-CB 4.08Å; L355-L369 HydrophobicContact CD2-CD1 3.61Å; L355-L369 HydrophobicContact CD2-CG 4.46Å; L369-F371 HydrophobicContact CB-CE1 4.47Å; L369-F371 HydrophobicContact CB-CE2 4.31Å; L369-F371 HydrophobicContact CB-CZ 4.18Å; L369-F371 HydrophobicContact CD1-CE2 4.47Å; L369-F371 HydrophobicContact CD1-CZ 4.32Å; L369-F371 PolarHBondContact O-N 3.44Å; L369-S372 WeakPolarHBondContact O-CB 3.41Å; L369-S372 PolarHBondContact O-N 3.04Å; L369-S372 PolarHBondContact O-OG 2.96Å; L369-I413 HydrophobicContact CD1-CD1 4.24Å; L369-L447 HydrophobicContact CD1-CD2 4.06Å; L369-L447 HydrophobicContact CG-CD2 3.99Å; L369-W450 HydrophobicContact CD2-CD2 4.5Å; L369-W450 HydrophobicContact CD2-CZ2 4.04Å; L369-F458 HydrophobicContact CD2-CD2 4.41Å; L369-F458 HydrophobicContact CD2-CE2 4Å
370P85.8Confident88.9Confident119 Ų11950.7 Ų50.777%0.77328%0.283SS*.THydrogen-bonded Turntrans-56.3-23.6-169.9-28.234.3000115.8
371F87.6Confident88.8Confident95 Ų9553.1 Ų53.142%0.41729%0.289SS..THydrogen-bonded Turntrans-102.75.1-179.150.7-96.6000113.5Y343 V347 L355 L369Y343-F371 WeakPolarHBondContact OH-CE2 3.37Å; V347-F371 HydrophobicContact CG1-CE1 4.2Å; V347-F371 HydrophobicContact CG1-CZ 4Å; V347-F371 HydrophobicContact CG2-CE2 4.21Å; V347-F371 HydrophobicContact CG2-CZ 4.04Å; L355-F371 HydrophobicContact CB-CD2 4.26Å; L355-F371 HydrophobicContact CB-CE2 4.41Å; L355-F371 HydrophobicContact CD2-CD2 3.95Å; L355-F371 HydrophobicContact CD2-CE2 3.54Å; L369-F371 HydrophobicContact CB-CE1 4.47Å; L369-F371 HydrophobicContact CB-CE2 4.31Å; L369-F371 HydrophobicContact CB-CZ 4.18Å; L369-F371 HydrophobicContact CD1-CE2 4.47Å; L369-F371 HydrophobicContact CD1-CZ 4.32Å; L369-F371 PolarHBondContact O-N 3.44Å
372S92.2Very high88.8Confident21 Ų2154.5 Ų54.515%0.14729%0.293CS..EExtended strand (participates in β ladder)trans-78.1136.2177.766.50000111.9L355 L369L355-S372 WeakPolarHBondContact O-CA 3.48Å; L369-S372 WeakPolarHBondContact O-CB 3.41Å; L369-S372 PolarHBondContact O-N 3.04Å; L369-S372 PolarHBondContact O-OG 2.96Å
373L92.7Very high88.8Confident39 Ų3955.1 Ų55.120%0.20428%0.283CS..EExtended strand (participates in β ladder)trans-88.8121.9167.5177.964.5000108.8L355 L356 D357 I375 L390 L391 R394L355-L373 PolarHBondContact O-N 2.78Å; L356-L373 CarbonylContact C-O 3.5Å; L356-L373 WeakPolarHBondContact CA-O 3.22Å; L356-L373 HydrophobicContact CD1-CB 4.43Å; L356-L373 HydrophobicContact CD1-CD2 4.26Å; L356-L373 HydrophobicContact CD1-CG 4.26Å; L356-L373 WeakPolarHBondContact CD1-O 3.49Å; D357-L373 PolarHBondContact N-O 3.02Å; L373-I375 HydrophobicContact CD2-CD1 4.07Å; L373-I375 HydrophobicContact CD2-CG1 4.4Å; L373-I375 HydrophobicContact CG-CD1 4.43Å; L373-I375 HydrophobicContact CG-CG1 4.22Å; L373-L390 HydrophobicContact CD1-CD2 3.95Å; L373-L390 HydrophobicContact CD1-CG 4.28Å; L373-L391 HydrophobicContact CD2-CD1 4.45Å; L373-R394 HydrophobicContact CD2-CB 4.39Å; L373-R394 HydrophobicContact CD2-CG 4.42Å
374N94.6Very high88.7Confident37 Ų3757.5 Ų57.520%0.19829%0.293CS..EExtended strand (participates in β ladder)trans-85.9121.1175.4177.6-131.1000111.3D357 R359 V364D357-N374 WeakPolarHBondContact O-CA 3.46Å; D357-N374 PolarHBondContact O-ND2 2.75Å; R359-N374 PolarHBondContact O-ND2 2.91Å; V364-N374 HydrophobicContact CG1-CB 4.18Å; V364-N374 HydrophobicContact CG2-CB 4.17Å; V364-N374 WeakPolarHBondContact CG2-ND2 3.2Å
375I92.9Very high88.6Confident0 Ų061 Ų610%032%0.318CS..  trans-137104.7165.7-57.6-175.5000107.6L356 D357 V358 L373 L380 D387 L391L356-I375 HydrophobicContact CD1-CB 3.7Å; L356-I375 HydrophobicContact CD1-CD1 3.79Å; L356-I375 HydrophobicContact CD1-CG1 3.62Å; D357-I375 PolarHBondContact O-N 3.23Å; V358-I375 VanDerWaalsContact CA-O 3.31Å; V358-I375 WeakPolarHBondContact CA-O 3.21Å; L373-I375 HydrophobicContact CD2-CD1 4.07Å; L373-I375 HydrophobicContact CD2-CG1 4.4Å; L373-I375 HydrophobicContact CG-CD1 4.43Å; L373-I375 HydrophobicContact CG-CG1 4.22Å; I375-L380 HydrophobicContact CG2-CD2 3.65Å; I375-L380 HydrophobicContact CG2-CG 3.81Å; I375-D387 WeakPolarHBondContact CD1-O 3.35Å; I375-D387 HydrophobicContact CG2-CB 3.79Å; I375-L391 HydrophobicContact CD1-CB 3.75Å; I375-L391 HydrophobicContact CD1-CD1 4.36Å; I375-L391 HydrophobicContact CD1-CG 4.46Å
376P92.1Very high88.7Confident23 Ų2363.1 Ų63.115%0.14932%0.324CS..  trans-55.8143-176.4-26.935.1000113.2S378 S379 L380P376-S378 PolarHBondContact O-N 3.02Å; P376-S379 WeakPolarHBondContact O-CB 3Å; P376-S379 PolarHBondContact O-N 3.18Å; P376-L380 PolarHBondContact O-N 3.07Å
377L88.9Confident88.7Confident19 Ų1960.1 Ų60.110%0.09931%0.309CS..Hα-helixtrans-52.8-42.1177.9174.362.5000112.2V358 S379 L380 E381 D419 K422 A423V358-L377 HydrophobicContact CB-CB 4.3Å; V358-L377 PolarHBondContact O-N 3.3Å; L377-S379 VanDerWaalsContact C-N 3.26Å; L377-S379 PolarHBondContact O-N 2.86Å; L377-L380 WeakPolarHBondContact O-CB 3.4Å; L377-L380 PolarHBondContact O-N 3.44Å; L377-E381 HydrophobicContact CD1-CG 4.01Å; L377-E381 HydrophobicContact CG-CG 4.28Å; L377-E381 WeakPolarHBondContact O-CG 3.35Å; L377-E381 PolarHBondContact O-N 3.39Å; L377-D419 HydrophobicContact CD2-CB 3.88Å; L377-K422 HydrophobicContact CD1-CB 4.36Å; L377-K422 HydrophobicContact CD2-CB 4.2Å; L377-K422 HydrophobicContact CD2-CD 4.22Å; L377-A423 HydrophobicContact CD1-CB 3.93Å
378S86.8Confident88.6Confident60 Ų6060.2 Ų60.242%0.4231%0.309SS..Hα-helixtrans-62-33.3179.156.20000113.1P376 Q382P376-S378 PolarHBondContact O-N 3.02Å; S378-Q382 VanDerWaalsContact O-CB 3.32Å; S378-Q382 WeakPolarHBondContact O-CB 3.38Å; S378-Q382 WeakPolarHBondContact O-CG 3.44Å; S378-Q382 PolarHBondContact O-N 3.42Å; S378-Q382 VanDerWaalsContact O-N 3.15Å
379S87.8Confident88.4Confident5 Ų560.8 Ų60.84%0.03531%0.312CS..Hα-helixtrans-69.7-38.1173.4-82.30000112.2P376 L377 R383 K384 D387P376-S379 WeakPolarHBondContact O-CB 3Å; P376-S379 PolarHBondContact O-N 3.18Å; L377-S379 VanDerWaalsContact C-N 3.26Å; L377-S379 PolarHBondContact O-N 2.86Å; S379-R383 PolarHBondContact O-N 3.09Å; S379-R383 VanDerWaalsContact O-N 3.12Å; S379-K384 PolarHBondContact O-N 3.14Å; S379-K384 VanDerWaalsContact O-N 3.13Å; S379-K384 WeakPolarHBondContact OG-CD 3.14Å; S379-K384 PolarHBondContact OG-NZ 2.65Å; S379-D387 WeakPolarHBondContact CB-OD2 3.42Å; S379-D387 PolarHBondContact OG-OD2 3.26Å
380L86.8Confident88.4Confident0 Ų063.9 Ų63.90%033%0.328CS..Hα-helixtrans-66.4-46.3175.9-66.8173.3000111.6L356 V358 I375 P376 L377 Q382 R383 I388 A423 V426 L427L356-L380 HydrophobicContact CD2-CD1 4.06Å; V358-L380 HydrophobicContact CG1-CD1 3.87Å; I375-L380 HydrophobicContact CG2-CD2 3.65Å; I375-L380 HydrophobicContact CG2-CG 3.81Å; P376-L380 PolarHBondContact O-N 3.07Å; L377-L380 WeakPolarHBondContact O-CB 3.4Å; L377-L380 PolarHBondContact O-N 3.44Å; L380-Q382 VanDerWaalsContact C-N 3.28Å; L380-Q382 PolarHBondContact O-N 3.47Å; L380-R383 PolarHBondContact O-N 3.07Å; L380-R383 VanDerWaalsContact O-N 3.07Å; L380-I388 HydrophobicContact CD2-CD1 3.94Å; L380-A423 HydrophobicContact CD1-CB 4.25Å; L380-V426 HydrophobicContact CB-CG1 4.34Å; L380-L427 HydrophobicContact CD2-CD2 4.29Å
381E86.3Confident88.6Confident112 Ų11258.2 Ų58.252%0.52329%0.291SS..Hα-helixtrans-62.2-37.1178.4-71.9178.5154.500112.1L377 R383 V426L377-E381 HydrophobicContact CD1-CG 4.01Å; L377-E381 HydrophobicContact CG-CG 4.28Å; L377-E381 WeakPolarHBondContact O-CG 3.35Å; L377-E381 PolarHBondContact O-N 3.39Å; E381-R383 VanDerWaalsContact C-N 3.28Å; E381-R383 PolarHBondContact O-N 2.81Å; E381-V426 HydrophobicContact CG-CG2 4.21Å
382Q86.8Confident88.5Confident132 Ų13257.2 Ų57.262%0.61729%0.288SS*.THydrogen-bonded Turntrans-81.6-3.3176.8-68.4173.14.300113.7S378 L380 K384S378-Q382 VanDerWaalsContact O-CB 3.32Å; S378-Q382 WeakPolarHBondContact O-CB 3.38Å; S378-Q382 WeakPolarHBondContact O-CG 3.44Å; S378-Q382 PolarHBondContact O-N 3.42Å; S378-Q382 VanDerWaalsContact O-N 3.15Å; L380-Q382 VanDerWaalsContact C-N 3.28Å; L380-Q382 PolarHBondContact O-N 3.47Å; Q382-K384 VanDerWaalsContact C-N 3.29Å; Q382-K384 HydrophobicContact CB-CG 4.19Å; Q382-K384 PolarHBondContact O-N 3.2Å
383R85Confident88.3Confident120 Ų12061.6 Ų61.645%0.45331%0.306SS..THydrogen-bonded Turntrans47.947.7-176.2-58-173.8-176.7-168.7-0.8112.9S379 L380 E381 S385 E434S379-R383 PolarHBondContact O-N 3.09Å; S379-R383 VanDerWaalsContact O-N 3.12Å; L380-R383 PolarHBondContact O-N 3.07Å; L380-R383 VanDerWaalsContact O-N 3.07Å; E381-R383 VanDerWaalsContact C-N 3.28Å; E381-R383 PolarHBondContact O-N 2.81Å; R383-S385 PolarHBondContact O-N 3.24Å; R383-E434 IonicContact CZ-OE1 3.95Å; R383-E434 IonicContact CZ-OE2 2.7Å; R383-E434 IonicContact NE-OE2 3.47Å; R383-E434 VanDerWaalsContact NH1-CD 3.31Å; R383-E434 IonicContact NH1-OE1 2.74Å; R383-E434 PolarHBondContact NH1-OE1 3.46Å; R383-E434 IonicContact NH1-OE2 2.98Å; R383-E434 PolarHBondContact NH1-OE2 2.69Å
384K85.9Confident88Confident90 Ų9064.3 Ų64.339%0.39131%0.314SS..  trans-62.5125.7179.9-69.1-170.5-169.5162.10110.9S379 Q382 E386 D387 I388S379-K384 PolarHBondContact O-N 3.14Å; S379-K384 VanDerWaalsContact O-N 3.13Å; S379-K384 WeakPolarHBondContact OG-CD 3.14Å; S379-K384 PolarHBondContact OG-NZ 2.65Å; Q382-K384 VanDerWaalsContact C-N 3.29Å; Q382-K384 HydrophobicContact CB-CG 4.19Å; Q382-K384 PolarHBondContact O-N 3.2Å; K384-E386 VanDerWaalsContact C-N 3.3Å; K384-E386 PolarHBondContact O-N 3.17Å; K384-D387 HydrophobicContact CB-CB 4.48Å; K384-D387 PolarHBondContact O-N 3.29Å; K384-I388 WeakPolarHBondContact O-CG1 3.42Å; K384-I388 PolarHBondContact O-N 3.42Å
385S85.1Confident87.7Confident86 Ų8662.7 Ų62.760%0.60131%0.305SS*.Hα-helixtrans-55.4-41.1-171.9-48.60000113.7R383 Q389R383-S385 PolarHBondContact O-N 3.24Å; S385-Q389 VanDerWaalsContact O-CB 3.25Å; S385-Q389 WeakPolarHBondContact O-CB 3.48Å; S385-Q389 WeakPolarHBondContact O-CG 3.41Å; S385-Q389 PolarHBondContact O-N 3.35Å
386E88.8Confident87.3Confident163 Ų16365.7 Ų65.776%0.76232%0.323SS*.Hα-helixtrans-64.1-47.5-178.5-64.4173.9-174.700112K384 Q389 L390K384-E386 VanDerWaalsContact C-N 3.3Å; K384-E386 PolarHBondContact O-N 3.17Å; E386-Q389 PolarHBondContact O-N 2.91Å; E386-L390 WeakPolarHBondContact O-CB 3.28Å; E386-L390 PolarHBondContact O-N 2.76Å
387D87.6Confident87.1Confident32 Ų3268.9 Ų68.917%0.17134%0.336CS..Hα-helixtrans-68.8-41.3-178.5-72.5-43000111.5I375 S379 K384 L390 L391I375-D387 WeakPolarHBondContact CD1-O 3.35Å; I375-D387 HydrophobicContact CG2-CB 3.79Å; S379-D387 WeakPolarHBondContact CB-OD2 3.42Å; S379-D387 PolarHBondContact OG-OD2 3.26Å; K384-D387 HydrophobicContact CB-CB 4.48Å; K384-D387 PolarHBondContact O-N 3.29Å; D387-L390 PolarHBondContact O-N 3.06Å; D387-L391 PolarHBondContact O-N 3.03Å
388I86.3Confident86.9Confident12 Ų1268.1 Ų68.16%0.06233%0.332CS..Hα-helixtrans-67.1-40.1176.4-60.5-49.8000111.1L380 K384 L390 L391 Q392 M430 L435L380-I388 HydrophobicContact CD2-CD1 3.94Å; K384-I388 WeakPolarHBondContact O-CG1 3.42Å; K384-I388 PolarHBondContact O-N 3.42Å; I388-L390 VanDerWaalsContact C-N 3.34Å; I388-L390 PolarHBondContact O-N 2.83Å; I388-L391 PolarHBondContact O-N 2.99Å; I388-Q392 HydrophobicContact CG2-CG 4.45Å; I388-Q392 WeakPolarHBondContact O-CB 3.26Å; I388-Q392 VanDerWaalsContact O-CG 3.32Å; I388-Q392 WeakPolarHBondContact O-CG 3.17Å; I388-Q392 PolarHBondContact O-N 3.48Å; I388-M430 HydrophobicContact CD1-CE 3.5Å; I388-M430 HydrophobicContact CD1-SD 4.36Å; I388-M430 HydrophobicContact CG1-CE 3.99Å; I388-M430 HydrophobicContact CG2-CE 4.01Å; I388-L435 HydrophobicContact CG2-CD2 4.43Å
389Q87.6Confident86.7Confident103 Ų10368.6 Ų68.648%0.48133%0.326SS..Hα-helixtrans-62.7-41.3174.3-77.5172.210.300111.8S385 E386 L391 Q392 Q393S385-Q389 VanDerWaalsContact O-CB 3.25Å; S385-Q389 WeakPolarHBondContact O-CB 3.48Å; S385-Q389 WeakPolarHBondContact O-CG 3.41Å; S385-Q389 PolarHBondContact O-N 3.35Å; E386-Q389 PolarHBondContact O-N 2.91Å; Q389-L391 VanDerWaalsContact C-N 3.34Å; Q389-L391 PolarHBondContact O-N 3.11Å; Q389-Q392 PolarHBondContact O-N 2.98Å; Q389-Q393 WeakPolarHBondContact O-CB 3.45Å; Q389-Q393 VanDerWaalsContact O-CG 3.24Å; Q389-Q393 WeakPolarHBondContact O-CG 3.31Å; Q389-Q393 PolarHBondContact O-N 2.93Å
390L89.4Confident86.5Confident74 Ų7475.5 Ų75.539%0.38736%0.358SS..Hα-helixtrans-60.9-44.3175.8-178.462.8000111.4L373 E386 D387 I388 Q393 R394L373-L390 HydrophobicContact CD1-CD2 3.95Å; L373-L390 HydrophobicContact CD1-CG 4.28Å; E386-L390 WeakPolarHBondContact O-CB 3.28Å; E386-L390 PolarHBondContact O-N 2.76Å; D387-L390 PolarHBondContact O-N 3.06Å; I388-L390 VanDerWaalsContact C-N 3.34Å; I388-L390 PolarHBondContact O-N 2.83Å; L390-Q393 PolarHBondContact O-N 2.96Å; L390-R394 PolarHBondContact O-N 2.81Å; L390-R394 VanDerWaalsContact O-N 3.08Å
391L88.6Confident86.3Confident0 Ų081.1 Ų81.10%039%0.385CS..Hα-helixtrans-62.9-46.1176-175.259.7000111.7L356 L373 I375 D387 I388 Q389 Q393 R394 I395 L427 L435L356-L391 HydrophobicContact CD1-CD1 4.49Å; L373-L391 HydrophobicContact CD2-CD1 4.45Å; I375-L391 HydrophobicContact CD1-CB 3.75Å; I375-L391 HydrophobicContact CD1-CD1 4.36Å; I375-L391 HydrophobicContact CD1-CG 4.46Å; D387-L391 PolarHBondContact O-N 3.03Å; I388-L391 PolarHBondContact O-N 2.99Å; Q389-L391 VanDerWaalsContact C-N 3.34Å; Q389-L391 PolarHBondContact O-N 3.11Å; L391-Q393 PolarHBondContact O-N 2.96Å; L391-R394 PolarHBondContact O-N 2.91Å; L391-I395 HydrophobicContact CD1-CD1 4.18Å; L391-I395 HydrophobicContact CD1-CG1 4.45Å; L391-I395 HydrophobicContact CG-CD1 3.84Å; L391-I395 VanDerWaalsContact O-CG1 3.28Å; L391-I395 WeakPolarHBondContact O-CG1 3.21Å; L391-I395 PolarHBondContact O-N 2.64Å; L391-L427 HydrophobicContact CD2-CD2 3.62Å; L391-L435 HydrophobicContact CD2-CD1 3.98Å; L391-L435 HydrophobicContact CD2-CD2 4.36Å; L391-L435 HydrophobicContact CG-CD2 4.49Å
392Q86.8Confident85.9Confident73 Ų7378 Ų7834%0.34137%0.37SS..Hα-helixtrans-58-48.3176.3-76.9172.7-15.200111.7I388 Q389 R394 I395 V396 E434 L435I388-Q392 HydrophobicContact CG2-CG 4.45Å; I388-Q392 WeakPolarHBondContact O-CB 3.26Å; I388-Q392 VanDerWaalsContact O-CG 3.32Å; I388-Q392 WeakPolarHBondContact O-CG 3.17Å; I388-Q392 PolarHBondContact O-N 3.48Å; Q389-Q392 PolarHBondContact O-N 2.98Å; Q392-R394 VanDerWaalsContact C-N 3.27Å; Q392-R394 PolarHBondContact O-N 2.91Å; Q392-I395 PolarHBondContact O-N 3.41Å; Q392-V396 WeakPolarHBondContact O-CG2 3.49Å; Q392-V396 PolarHBondContact O-N 3.38Å; Q392-E434 PolarHBondContact NE2-O 3.19Å; Q392-L435 HydrophobicContact CG-CD2 3.48Å; Q392-L435 VanDerWaalsContact CG-CD2 3.48Å
393Q87.3Confident84.8Confident114 Ų11476.6 Ų76.653%0.53338%0.381SS..Hα-helixtrans-57.5-43177.9-73.9172.213.500111.2Q389 L390 L391 V396 Q397Q389-Q393 WeakPolarHBondContact O-CB 3.45Å; Q389-Q393 VanDerWaalsContact O-CG 3.24Å; Q389-Q393 WeakPolarHBondContact O-CG 3.31Å; Q389-Q393 PolarHBondContact O-N 2.93Å; L390-Q393 PolarHBondContact O-N 2.96Å; L391-Q393 PolarHBondContact O-N 2.96Å; Q393-V396 PolarHBondContact O-N 2.99Å; Q393-Q397 VanDerWaalsContact O-CG 3.28Å; Q393-Q397 WeakPolarHBondContact O-CG 3.11Å; Q393-Q397 PolarHBondContact O-N 3Å
394R87.6Confident83.8Confident96 Ų9674 Ų7436%0.36239%0.393SS..Hα-helixtrans-67.6-39.7178.7-162.670.8-178.3112.66.7112.3I354 L373 L390 L391 Q392 Q397 L398I354-R394 HydrophobicContact CD1-CB 4.19Å; I354-R394 HydrophobicContact CD1-CG 3.84Å; I354-R394 HydrophobicContact CG1-CG 4Å; L373-R394 HydrophobicContact CD2-CB 4.39Å; L373-R394 HydrophobicContact CD2-CG 4.42Å; L390-R394 PolarHBondContact O-N 2.81Å; L390-R394 VanDerWaalsContact O-N 3.08Å; L391-R394 PolarHBondContact O-N 2.91Å; Q392-R394 VanDerWaalsContact C-N 3.27Å; Q392-R394 PolarHBondContact O-N 2.91Å; R394-Q397 VanDerWaalsContact NH1-OE1 3.1Å; R394-Q397 PolarHBondContact O-N 3.47Å; R394-L398 PolarHBondContact O-N 3.07Å
395I86.6Confident82.6Confident2 Ų278.1 Ų78.11%0.0142%0.419CS..Hα-helixtrans-62.4-46.3175.5-71.5165.9000110.6I354 L391 Q392 Q397 L398 K399 P408 L435 D436 I438I354-I395 HydrophobicContact CD1-CB 4.46Å; I354-I395 HydrophobicContact CD1-CG1 3.79Å; L391-I395 HydrophobicContact CD1-CD1 4.18Å; L391-I395 HydrophobicContact CD1-CG1 4.45Å; L391-I395 HydrophobicContact CG-CD1 3.84Å; L391-I395 VanDerWaalsContact O-CG1 3.28Å; L391-I395 WeakPolarHBondContact O-CG1 3.21Å; L391-I395 PolarHBondContact O-N 2.64Å; Q392-I395 PolarHBondContact O-N 3.41Å; I395-Q397 PolarHBondContact O-N 2.92Å; I395-L398 PolarHBondContact O-N 3.15Å; I395-K399 PolarHBondContact O-N 3.25Å; I395-P408 HydrophobicContact CG2-CG 3.85Å; I395-L435 HydrophobicContact CD1-CD2 4.09Å; I395-D436 HydrophobicContact CG2-CB 4.06Å; I395-I438 HydrophobicContact CD1-CD1 4.38Å; I395-I438 HydrophobicContact CD1-CG2 3.88Å; I395-I438 HydrophobicContact CG1-CG2 4.3Å; I395-I438 HydrophobicContact CG2-CG2 3.97Å
396V86.2Confident81.9Confident63 Ų6377.8 Ų77.838%0.38242%0.415SS..Hα-helixtrans-62-44.4178171.60000110.9Q392 Q393 L398 K399 Q400Q392-V396 WeakPolarHBondContact O-CG2 3.49Å; Q392-V396 PolarHBondContact O-N 3.38Å; Q393-V396 PolarHBondContact O-N 2.99Å; V396-L398 VanDerWaalsContact C-N 3.32Å; V396-L398 PolarHBondContact O-N 3.25Å; V396-K399 PolarHBondContact O-N 2.7Å; V396-Q400 WeakPolarHBondContact O-CG 3.27Å; V396-Q400 PolarHBondContact O-N 2.91Å
397Q86Confident81.5Confident90 Ų9074.3 Ų74.342%0.42140%0.399SS..Hα-helixtrans-59.5-41.6175-75.1173.71.400112.2Q393 R394 I395 Q400 Q401Q393-Q397 VanDerWaalsContact O-CG 3.28Å; Q393-Q397 WeakPolarHBondContact O-CG 3.11Å; Q393-Q397 PolarHBondContact O-N 3Å; R394-Q397 VanDerWaalsContact NH1-OE1 3.1Å; R394-Q397 PolarHBondContact O-N 3.47Å; I395-Q397 PolarHBondContact O-N 2.92Å; Q397-Q400 PolarHBondContact O-N 2.83Å; Q397-Q401 WeakPolarHBondContact O-CG 3.42Å; Q397-Q401 PolarHBondContact O-N 3.45Å
398L85.4Confident81.3Confident3 Ų372.8 Ų72.82%0.01639%0.391CS..Hα-helixtrans-66.5-44.3178.4-162.878.2000111.1L352 I354 R394 I395 V396 Q400 Q401 M402 P408L352-L398 HydrophobicContact CB-CD1 4.04Å; L352-L398 HydrophobicContact CD2-CD1 4.49Å; I354-L398 HydrophobicContact CD1-CB 4.33Å; I354-L398 HydrophobicContact CD1-CD2 4.25Å; I354-L398 HydrophobicContact CG1-CD2 4.05Å; R394-L398 PolarHBondContact O-N 3.07Å; I395-L398 PolarHBondContact O-N 3.15Å; V396-L398 VanDerWaalsContact C-N 3.32Å; V396-L398 PolarHBondContact O-N 3.25Å; L398-Q400 VanDerWaalsContact C-N 3.28Å; L398-Q400 PolarHBondContact O-N 2.89Å; L398-Q401 WeakPolarHBondContact O-CB 3.49Å; L398-Q401 PolarHBondContact O-N 3.13Å; L398-M402 HydrophobicContact CD2-SD 4.12Å; L398-M402 HydrophobicContact CG-SD 4.17Å; L398-M402 WeakPolarHBondContact O-CG 3.48Å; L398-M402 PolarHBondContact O-N 2.82Å; L398-M402 VanDerWaalsContact O-N 3.08Å; L398-P408 HydrophobicContact CD2-CB 3.62Å
399K84Confident81.4Confident70 Ų7073.6 Ų73.630%0.30440%0.397SS..Hα-helixtrans-58.5-38.9176.1-78.9-172.7170-170.60112.6I395 V396 Q401 M402 P408 D436I395-K399 PolarHBondContact O-N 3.25Å; V396-K399 PolarHBondContact O-N 2.7Å; K399-Q401 PolarHBondContact O-N 2.76Å; K399-M402 PolarHBondContact O-N 2.98Å; K399-M402 VanDerWaalsContact O-O 3.04Å; K399-P408 HydrophobicContact CD-CG 4.38Å; K399-P408 HydrophobicContact CG-CB 4.29Å; K399-P408 HydrophobicContact CG-CG 3.85Å; K399-D436 WeakPolarHBondContact CD-OD2 3.44Å; K399-D436 WeakPolarHBondContact CE-OD2 3.49Å; K399-D436 VanDerWaalsContact NZ-CB 3.26Å; K399-D436 IonicContact NZ-OD1 3.81Å; K399-D436 IonicContact NZ-OD2 2.81Å; K399-D436 PolarHBondContact NZ-OD2 2.94Å
400Q83Confident81.6Confident151 Ų15168.7 Ų68.771%0.70637%0.374SS*.Hα-helixtrans-64-27.2176-72.5172.8-0.800113V396 Q397 L398V396-Q400 WeakPolarHBondContact O-CG 3.27Å; V396-Q400 PolarHBondContact O-N 2.91Å; Q397-Q400 PolarHBondContact O-N 2.83Å; L398-Q400 VanDerWaalsContact C-N 3.28Å; L398-Q400 PolarHBondContact O-N 2.89Å
401Q81.4Confident81.8Confident118 Ų11866.5 Ų66.555%0.55136%0.361SS*.Hα-helixtrans-86.5-18.2177.4-66.2175.7-4.100112.7L352 Q397 L398 K399L352-Q401 HydrophobicContact CD1-CB 3.95Å; L352-Q401 WeakPolarHBondContact CD1-O 3.28Å; L352-Q401 HydrophobicContact CD2-CB 4.45Å; Q397-Q401 WeakPolarHBondContact O-CG 3.42Å; Q397-Q401 PolarHBondContact O-N 3.45Å; L398-Q401 WeakPolarHBondContact O-CB 3.49Å; L398-Q401 PolarHBondContact O-N 3.13Å; K399-Q401 PolarHBondContact O-N 2.76Å
402M79.1Confident82.1Confident45 Ų4566.5 Ų66.522%0.22236%0.361CS..SBendtrans-90.3132.7178.1-66.9179.272.700110.4L352 L398 K399 C406 P408L352-M402 HydrophobicContact CB-CG 4.23Å; L352-M402 HydrophobicContact CD1-CG 3.8Å; L398-M402 HydrophobicContact CD2-SD 4.12Å; L398-M402 HydrophobicContact CG-SD 4.17Å; L398-M402 WeakPolarHBondContact O-CG 3.48Å; L398-M402 PolarHBondContact O-N 2.82Å; L398-M402 VanDerWaalsContact O-N 3.08Å; K399-M402 PolarHBondContact O-N 2.98Å; K399-M402 VanDerWaalsContact O-O 3.04Å; M402-C406 HydrophobicContact CE-CB 3.94Å; M402-P408 HydrophobicContact SD-CB 4.21Å
403A62.9Low82.4Confident103 Ų10363 Ų6385%0.85135%0.345SS*.  trans-88.4119.1173.500000110.2
404G63.4Low82.6Confident67 Ų6757.6 Ų57.669%0.69132%0.32SS*.SBendtrans108.4-177.1173.300000115.2C406G404-C406 PolarHBondContact O-N 3.07Å; G404-C406 VanDerWaalsContact O-N 3.07Å
405D62.5Low82.6Confident176 Ų17654.9 Ų54.994%0.94131%0.31SS*.SBendtrans-81.326.4-174.9-137.47.8000113
406C69.6Low82.5Confident78 Ų7857.8 Ų57.853%0.52733%0.326SS..PPolyproline II helixtrans-79.1133.7-175.5-70.40000111.3M402 G404M402-C406 HydrophobicContact CE-CB 3.94Å; G404-C406 PolarHBondContact O-N 3.07Å; G404-C406 VanDerWaalsContact O-N 3.07Å
407Q79.4Confident82.3Confident91 Ų9154.8 Ų54.843%0.42531%0.307SS..PPolyproline II helixtrans-67.4129.1173.2-68177.9-2.100110S437 T439Q407-S437 PolarHBondContact NE2-OG 3.27Å; Q407-T439 WeakPolarHBondContact CB-OG1 3.28Å; Q407-T439 PolarHBondContact OE1-OG1 3.43Å
408P83.4Confident82.2Confident0 Ų051.5 Ų51.50%029%0.292CS..PPolyproline II helixtrans-65.5129.5179.125.7-32.7000110I395 L398 K399 M402 S437 I438 T439I395-P408 HydrophobicContact CG2-CG 3.85Å; L398-P408 HydrophobicContact CD2-CB 3.62Å; K399-P408 HydrophobicContact CD-CG 4.38Å; K399-P408 HydrophobicContact CG-CB 4.29Å; K399-P408 HydrophobicContact CG-CG 3.85Å; M402-P408 HydrophobicContact SD-CB 4.21Å; P408-S437 WeakPolarHBondContact CD-O 3.48Å; P408-I438 HydrophobicContact CG-CG2 3.73Å; P408-T439 PolarHBondContact O-N 3.03Å
409P89.8Confident82.2Confident28 Ų2854.4 Ų54.418%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-79.9125.618030.1-32.2000111L352 H353 I354 Y411 T439L352-P409 VanDerWaalsContact O-CG 3.27Å; L352-P409 WeakPolarHBondContact O-CG 3.36Å; H353-P409 HydrophobicContact CB-CG 3.97Å; I354-P409 PolarHBondContact N-O 2.81Å; P409-Y411 HydrophobicContact CB-CE2 4.03Å; P409-T439 WeakPolarHBondContact CA-O 3.44Å
410V91.5Very high82.4Confident1 Ų151 Ų511%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-114.4117.4175.6-176.50000108.6I354 L356 I438 T439 V440 K441I354-V410 HydrophobicContact CB-CG2 4.38Å; I354-V410 HydrophobicContact CD1-CG2 4.5Å; I354-V410 HydrophobicContact CG2-CG1 4.43Å; I354-V410 WeakPolarHBondContact O-CA 3.48Å; L356-V410 HydrophobicContact CB-CG1 4.47Å; V410-I438 HydrophobicContact CG2-CB 4.33Å; V410-I438 HydrophobicContact CG2-CD1 4.21Å; V410-I438 HydrophobicContact CG2-CG2 4.47Å; V410-T439 PolarHBondContact N-O 3.34Å; V410-V440 HydrophobicContact CB-CG1 4.36Å; V410-V440 HydrophobicContact CB-CG2 4.46Å; V410-V440 HydrophobicContact CG1-CG1 4.42Å; V410-V440 CarbonylContact O-C 3.21Å; V410-V440 VanDerWaalsContact O-CA 3.27Å; V410-V440 WeakPolarHBondContact O-CA 3.27Å; V410-K441 PolarHBondContact O-N 3.02Å
411Y93.8Very high82.6Confident27 Ų2743.9 Ų43.911%0.10626%0.26CS..EExtended strand (participates in β ladder)trans-100.7135.1174.3-62.3-80000109.4I338 Y343 V346 H353 I354 L355 L356 P409 K441I338-Y411 HydrophobicContact CB-CE1 4.36Å; I338-Y411 HydrophobicContact CD1-CD1 4.41Å; I338-Y411 HydrophobicContact CD1-CE1 3.63Å; I338-Y411 HydrophobicContact CG2-CD1 3.69Å; I338-Y411 HydrophobicContact CG2-CE1 3.92Å; Y343-Y411 AromaticContact CD2-CD1 3.97Å; Y343-Y411 HydrophobicContact CD2-CD1 3.97Å; Y343-Y411 HydrophobicContact CD2-CD2 4.07Å; Y343-Y411 HydrophobicContact CD2-CE1 4.32Å; Y343-Y411 HydrophobicContact CD2-CE2 4.4Å; Y343-Y411 AromaticContact CD2-CG 3.81Å; Y343-Y411 HydrophobicContact CD2-CG 3.81Å; Y343-Y411 HydrophobicContact CE2-CD1 4.28Å; Y343-Y411 AromaticContact CE2-CD2 3.63Å; Y343-Y411 HydrophobicContact CE2-CD2 3.63Å; Y343-Y411 HydrophobicContact CE2-CE2 4.21Å; Y343-Y411 AromaticContact CE2-CG 3.63Å; Y343-Y411 HydrophobicContact CE2-CG 3.63Å; V346-Y411 HydrophobicContact CG1-CE2 4.17Å; H353-Y411 HydrophobicContact CB-CD2 3.87Å; H353-Y411 HydrophobicContact CB-CE2 3.73Å; H353-Y411 AromaticContact CD2-CD2 3.71Å; I354-Y411 PolarHBondContact O-N 2.85Å; L355-Y411 CarbonylContact C-O 3.5Å; L355-Y411 WeakPolarHBondContact CA-O 3.49Å; L356-Y411 PolarHBondContact N-O 2.79Å; P409-Y411 HydrophobicContact CB-CE2 4.03Å; Y411-K441 CarbonylContact C-O 3.57Å; Y411-K441 VanDerWaalsContact CA-O 3.31Å; Y411-K441 WeakPolarHBondContact CA-O 2.96Å; Y411-K441 HydrophobicContact CD1-CB 4.01Å; Y411-K441 HydrophobicContact CE1-CB 4.2Å; Y411-K441 HydrophobicContact CE1-CD 4.31Å
412V94.6Very high82.8Confident0 Ų041.4 Ų41.40%025%0.247CC..EExtended strand (participates in β ladder)trans-113.2128.6-178.4-169.50000109.8L356 V358 A423 V424 L427 V440 K441 D442 V443L356-V412 HydrophobicContact CB-CG2 4.46Å; L356-V412 CarbonylContact O-C 3.29Å; L356-V412 WeakPolarHBondContact O-CA 3.46Å; V358-V412 HydrophobicContact CB-CG1 4.37Å; V358-V412 HydrophobicContact CG1-CG1 3.49Å; V358-V412 VanDerWaalsContact CG1-CG1 3.49Å; V358-V412 HydrophobicContact CG2-CG1 3.96Å; V412-A423 HydrophobicContact CG1-CB 3.79Å; V412-V424 HydrophobicContact CB-CG2 4.22Å; V412-V424 HydrophobicContact CG2-CG2 3.98Å; V412-L427 HydrophobicContact CG2-CD1 3.87Å; V412-V440 HydrophobicContact CG2-CG1 3.71Å; V412-K441 PolarHBondContact N-O 2.92Å; V412-D442 WeakPolarHBondContact O-CA 3.22Å; V412-V443 PolarHBondContact O-N 3.21Å
413I93.5Very high83.2Confident0 Ų039.2 Ų39.20%024%0.237CC..EExtended strand (participates in β ladder)trans-125.4142.5179.8-161.2165.5000110.8L355 L356 D357 V358 L369 V443 L447L355-I413 HydrophobicContact CD1-CB 3.98Å; L355-I413 HydrophobicContact CD1-CG2 3.77Å; L355-I413 HydrophobicContact CD2-CG2 4.31Å; L355-I413 HydrophobicContact CG-CG2 4.11Å; L356-I413 PolarHBondContact O-N 2.96Å; D357-I413 WeakPolarHBondContact CA-O 3.47Å; D357-I413 HydrophobicContact CB-CG2 4.21Å; V358-I413 PolarHBondContact N-O 2.86Å; L369-I413 HydrophobicContact CD1-CD1 4.24Å; I413-V443 HydrophobicContact CB-CB 4.39Å; I413-V443 HydrophobicContact CB-CG2 4.35Å; I413-V443 HydrophobicContact CD1-CB 4.33Å; I413-V443 HydrophobicContact CD1-CG1 4.23Å; I413-V443 HydrophobicContact CG1-CB 4.16Å; I413-L447 HydrophobicContact CD1-CD2 3.59Å; I413-L447 HydrophobicContact CD1-CG 3.87Å; I413-L447 HydrophobicContact CG1-CD2 4.34Å; I413-L447 HydrophobicContact CG1-CG 4.1Å
414C90.9Very high84.5Confident1 Ų134.3 Ų34.31%0.00720%0.196CC..  trans-136.5-166.1167.874.70000109.6V358 R359 G417 N418 D419 S420 G446 L447V358-C414 HydrophobicContact CG2-CB 3.82Å; R359-C414 HydrophobicContact CG-CB 4.16Å; C414-G417 VanDerWaalsContact SG-CA 3.53Å; C414-G417 PolarHBondContact SG-N 2.87Å; C414-N418 PolarHBondContact SG-N 3.23Å; C414-N418 VanDerWaalsContact SG-N 3.42Å; C414-D419 HydrophobicContact CB-CB 4.09Å; C414-D419 PolarHBondContact SG-N 3.44Å; C414-S420 PolarHBondContact SG-N 2.81Å; C414-S420 VanDerWaalsContact SG-N 3.36Å; C414-G446 CarbonylContact O-C 3.57Å; C414-G446 WeakPolarHBondContact O-CA 3.5Å; C414-L447 PolarHBondContact O-N 3.34Å
415K87.2Confident85.7Confident38 Ų3834.5 Ų34.517%0.16518%0.179CC..SBendtrans-61-54.5-178.5-170.4-177177.8172.30112.5L447 M448 Y461K415-L447 PolarHBondContact O-N 3.23Å; K415-L447 VanDerWaalsContact O-N 3.16Å; K415-M448 HydrophobicContact CG-CE 4.36Å; K415-M448 HydrophobicContact CG-CG 4.22Å; K415-M448 WeakPolarHBondContact O-CG 3.47Å; K415-M448 PolarHBondContact O-N 3.08Å; K415-M448 VanDerWaalsContact O-N 3.12Å; K415-Y461 HydrophobicContact CD-CD2 4.44Å; K415-Y461 HydrophobicContact CD-CE2 3.75Å; K415-Y461 WeakPolarHBondContact CE-O 3.12Å; K415-Y461 HydrophobicContact CG-CE2 4.32Å; K415-Y461 VanDerWaalsContact NZ-C 3.29Å; K415-Y461 PolarHBondContact NZ-O 2.93Å; K415-Y461 PolarHBondContact NZ-OXT 3.29Å
416L83.9Confident86.9Confident64 Ų6427.4 Ų27.434%0.33514%0.142SC..SBendtrans-120.10.3-170.9-66.6173000114.9C326 G445 M448C326-L416 HydrophobicContact CB-CD1 3.58Å; C326-L416 VanDerWaalsContact SG-CD1 3.55Å; L416-G445 CarbonylContact O-C 3.55Å; L416-G445 WeakPolarHBondContact O-CA 3.32Å; L416-M448 HydrophobicContact CD2-CB 3.92Å; L416-M448 HydrophobicContact CD2-CG 3.63Å
417G83.4Confident87.7Confident0 Ų023.7 Ų23.70%012%0.117CC..SBendtrans84.115.2-177.500000115C414 S420 Q421C414-G417 VanDerWaalsContact SG-CA 3.53Å; C414-G417 PolarHBondContact SG-N 2.87Å; G417-S420 VanDerWaalsContact CA-OG 3.22Å; G417-S420 WeakPolarHBondContact CA-OG 3.35Å; G417-S420 PolarHBondContact O-OG 3.5Å; G417-Q421 WeakPolarHBondContact O-CG 3.41Å; G417-Q421 PolarHBondContact O-NE2 2.81Å
418N83.8Confident88.1Confident20 Ų2023 Ų2311%0.10711%0.114CC..SBendtrans-90-60.3177.4-76.8-21000111.4C326 R327 L329 C414 S420 Q421C326-N418 PolarHBondContact SG-ND2 3.19Å; R327-N418 PolarHBondContact O-ND2 2.97Å; R327-N418 PolarHBondContact O-OD1 3.19Å; L329-N418 HydrophobicContact CD1-CB 3.89Å; L329-N418 HydrophobicContact CG-CB 4.27Å; L329-N418 PolarHBondContact N-OD1 2.96Å; C414-N418 PolarHBondContact SG-N 3.23Å; C414-N418 VanDerWaalsContact SG-N 3.42Å; N418-S420 PolarHBondContact O-N 3.15Å; N418-Q421 WeakPolarHBondContact O-CB 3.48Å; N418-Q421 PolarHBondContact O-N 2.82Å
419D84.9Confident88.2Confident64 Ų6430.2 Ų30.234%0.34215%0.145SC..Hα-helixtrans-64.8-27.9179.3-60.6-37.2000113.2V358 L377 C414 Q421 K422 A423V358-D419 HydrophobicContact CG2-CB 4.41Å; L377-D419 HydrophobicContact CD2-CB 3.88Å; C414-D419 HydrophobicContact CB-CB 4.09Å; C414-D419 PolarHBondContact SG-N 3.44Å; D419-Q421 PolarHBondContact O-N 3.36Å; D419-K422 PolarHBondContact O-N 3.23Å; D419-A423 WeakPolarHBondContact O-CB 3.31Å; D419-A423 PolarHBondContact O-N 3.07Å
420S87.6Confident87.9Confident0 Ų028.9 Ų28.90%014%0.136CC..Hα-helixtrans-60.6-35172.755.90000111.7C414 G417 N418 A423 V424C414-S420 PolarHBondContact SG-N 2.81Å; C414-S420 VanDerWaalsContact SG-N 3.36Å; G417-S420 VanDerWaalsContact CA-OG 3.22Å; G417-S420 WeakPolarHBondContact CA-OG 3.35Å; G417-S420 PolarHBondContact O-OG 3.5Å; N418-S420 PolarHBondContact O-N 3.15Å; S420-A423 PolarHBondContact O-N 3.28Å; S420-V424 VanDerWaalsContact O-CG2 3.27Å; S420-V424 WeakPolarHBondContact O-CG2 3.46Å; S420-V424 PolarHBondContact O-N 3.41Å
421Q88.4Confident87.4Confident1 Ų130.2 Ų30.21%0.00515%0.146CC..Hα-helixtrans-68.9-41.1176.7-68.8176.665.200112.3L329 L331 L332 R337 G417 N418 D419 V424 Q425 D442L329-Q421 PolarHBondContact O-NE2 2.9Å; L329-Q421 PolarHBondContact O-OE1 3.19Å; L331-Q421 HydrophobicContact CB-CB 4.31Å; L331-Q421 HydrophobicContact CD1-CB 4.38Å; L332-Q421 HydrophobicContact CD1-CB 4.06Å; L332-Q421 HydrophobicContact CD1-CG 3.91Å; L332-Q421 HydrophobicContact CG-CB 4.06Å; L332-Q421 HydrophobicContact CG-CG 4.1Å; R337-Q421 VanDerWaalsContact NH2-NE2 3.18Å; G417-Q421 WeakPolarHBondContact O-CG 3.41Å; G417-Q421 PolarHBondContact O-NE2 2.81Å; N418-Q421 WeakPolarHBondContact O-CB 3.48Å; N418-Q421 PolarHBondContact O-N 2.82Å; D419-Q421 PolarHBondContact O-N 3.36Å; Q421-V424 PolarHBondContact O-N 3.49Å; Q421-Q425 PolarHBondContact O-N 3.21Å; Q421-D442 HydrophobicContact CG-CB 4.36Å
422K85.8Confident86.2Confident65 Ų6532 Ų3228%0.28317%0.173SC..Hα-helixtrans-62.9-44.7174.6-65.5179.1179.6175.20110.9L331 L377 D419 V424 Q425 V426L331-K422 HydrophobicContact CD1-CG 3.91Å; L377-K422 HydrophobicContact CD1-CB 4.36Å; L377-K422 HydrophobicContact CD2-CB 4.2Å; L377-K422 HydrophobicContact CD2-CD 4.22Å; D419-K422 PolarHBondContact O-N 3.23Å; K422-V424 VanDerWaalsContact C-N 3.33Å; K422-V424 PolarHBondContact O-N 3.17Å; K422-Q425 WeakPolarHBondContact O-CB 3.27Å; K422-Q425 PolarHBondContact O-N 3.45Å; K422-Q425 VanDerWaalsContact O-N 3.15Å; K422-V426 WeakPolarHBondContact O-CG2 3.33Å; K422-V426 PolarHBondContact O-N 2.91Å; K422-V426 VanDerWaalsContact O-N 3.07Å
423A87.8Confident85.2Confident0 Ų036.1 Ų36.10%020%0.202CC..Hα-helixtrans-59.3-41.5176.800000112.5V358 L377 L380 V412 D419 S420 Q425 V426 L427V358-A423 HydrophobicContact CB-CB 4.31Å; V358-A423 HydrophobicContact CG1-CB 3.78Å; V358-A423 HydrophobicContact CG2-CB 4.18Å; L377-A423 HydrophobicContact CD1-CB 3.93Å; L380-A423 HydrophobicContact CD1-CB 4.25Å; V412-A423 HydrophobicContact CG1-CB 3.79Å; D419-A423 WeakPolarHBondContact O-CB 3.31Å; D419-A423 PolarHBondContact O-N 3.07Å; S420-A423 PolarHBondContact O-N 3.28Å; A423-Q425 VanDerWaalsContact C-N 3.34Å; A423-Q425 PolarHBondContact O-N 3.26Å; A423-V426 PolarHBondContact O-N 3.37Å; A423-L427 WeakPolarHBondContact O-CB 3.3Å; A423-L427 VanDerWaalsContact O-CG 3.3Å; A423-L427 WeakPolarHBondContact O-CG 3.43Å; A423-L427 PolarHBondContact O-N 2.87Å
424V89.4Confident84.1Confident0 Ų040 Ų400%022%0.219CC..Hα-helixtrans-58-46.4174.2170.70000110.9L332 V412 S420 Q421 K422 V426 L427 E428 V440 D442L332-V424 HydrophobicContact CD1-CB 3.74Å; L332-V424 HydrophobicContact CD1-CG1 3.73Å; L332-V424 HydrophobicContact CD1-CG2 3.94Å; L332-V424 HydrophobicContact CD2-CB 4.28Å; L332-V424 HydrophobicContact CD2-CG1 3.89Å; L332-V424 HydrophobicContact CG-CG1 4.49Å; V412-V424 HydrophobicContact CB-CG2 4.22Å; V412-V424 HydrophobicContact CG2-CG2 3.98Å; S420-V424 VanDerWaalsContact O-CG2 3.27Å; S420-V424 WeakPolarHBondContact O-CG2 3.46Å; S420-V424 PolarHBondContact O-N 3.41Å; Q421-V424 PolarHBondContact O-N 3.49Å; K422-V424 VanDerWaalsContact C-N 3.33Å; K422-V424 PolarHBondContact O-N 3.17Å; V424-V426 VanDerWaalsContact C-N 3.31Å; V424-V426 PolarHBondContact O-N 3.07Å; V424-L427 PolarHBondContact O-N 2.69Å; V424-E428 HydrophobicContact CG1-CG 4.16Å; V424-E428 WeakPolarHBondContact O-CB 3.46Å; V424-E428 WeakPolarHBondContact O-CG 3.44Å; V424-E428 PolarHBondContact O-N 3.31Å; V424-V440 HydrophobicContact CB-CG1 4.39Å; V424-V440 HydrophobicContact CG1-CB 4.38Å; V424-V440 HydrophobicContact CG1-CG1 4.31Å; V424-V440 HydrophobicContact CG2-CG1 3.94Å; V424-D442 HydrophobicContact CG2-CB 3.95Å
425Q88.7Confident83.4Confident70 Ų7040.2 Ų40.233%0.32722%0.221SC..Hα-helixtrans-61.8-37.5178.2-68.8-173.6-2900113.1L332 Q421 K422 A423 K429L332-Q425 HydrophobicContact CD2-CG 3.91Å; Q421-Q425 PolarHBondContact O-N 3.21Å; K422-Q425 WeakPolarHBondContact O-CB 3.27Å; K422-Q425 PolarHBondContact O-N 3.45Å; K422-Q425 VanDerWaalsContact O-N 3.15Å; A423-Q425 VanDerWaalsContact C-N 3.34Å; A423-Q425 PolarHBondContact O-N 3.26Å; Q425-K429 VanDerWaalsContact O-CG 3.31Å; Q425-K429 WeakPolarHBondContact O-CG 3.38Å; Q425-K429 PolarHBondContact O-N 2.83Å
426V86.8Confident82.8Confident28 Ų2842 Ų4217%0.1723%0.232CC..Hα-helixtrans-65.8-47.7175.4175.40000110L380 E381 K422 A423 V424 E428 K429 M430L380-V426 HydrophobicContact CB-CG1 4.34Å; E381-V426 HydrophobicContact CG-CG2 4.21Å; K422-V426 WeakPolarHBondContact O-CG2 3.33Å; K422-V426 PolarHBondContact O-N 2.91Å; K422-V426 VanDerWaalsContact O-N 3.07Å; A423-V426 PolarHBondContact O-N 3.37Å; V424-V426 VanDerWaalsContact C-N 3.31Å; V424-V426 PolarHBondContact O-N 3.07Å; V426-E428 PolarHBondContact O-N 3.12Å; V426-K429 PolarHBondContact O-N 3.41Å; V426-M430 HydrophobicContact CG1-SD 3.98Å; V426-M430 WeakPolarHBondContact O-CG 3.45Å; V426-M430 PolarHBondContact O-N 3.31Å
427L87.4Confident82.7Confident0 Ų041.5 Ų41.50%023%0.234CC..Hα-helixtrans-65.8-37.5-179.6-70.2171.5000112.8L356 L380 L391 V412 A423 V424 K429 M430 S431 L435 V440L356-L427 HydrophobicContact CD2-CD1 3.83Å; L380-L427 HydrophobicContact CD2-CD2 4.29Å; L391-L427 HydrophobicContact CD2-CD2 3.62Å; V412-L427 HydrophobicContact CG2-CD1 3.87Å; A423-L427 WeakPolarHBondContact O-CB 3.3Å; A423-L427 VanDerWaalsContact O-CG 3.3Å; A423-L427 WeakPolarHBondContact O-CG 3.43Å; A423-L427 PolarHBondContact O-N 2.87Å; V424-L427 PolarHBondContact O-N 2.69Å; L427-K429 VanDerWaalsContact C-N 3.34Å; L427-K429 PolarHBondContact O-N 2.99Å; L427-M430 CarbonylContact O-C 3.49Å; L427-M430 PolarHBondContact O-N 3.11Å; L427-M430 VanDerWaalsContact O-N 3.15Å; L427-S431 WeakPolarHBondContact O-CB 3.5Å; L427-S431 PolarHBondContact O-N 3.07Å; L427-L435 HydrophobicContact CD2-CD1 3.9Å; L427-V440 HydrophobicContact CB-CG1 4.21Å; L427-V440 HydrophobicContact CB-CG2 4.16Å; L427-V440 HydrophobicContact CD1-CG1 3.85Å
428E87.2Confident82.8Confident76 Ų7641.9 Ų41.936%0.35524%0.236SC..Hα-helixtrans-64.2-38.5175.2-77.2-174.3152.400112.2Q336 V424 V426 M430 S431Q336-E428 PolarHBondContact NE2-OE1 3.13Å; Q336-E428 PolarHBondContact NE2-OE2 3.15Å; V424-E428 HydrophobicContact CG1-CG 4.16Å; V424-E428 WeakPolarHBondContact O-CB 3.46Å; V424-E428 WeakPolarHBondContact O-CG 3.44Å; V424-E428 PolarHBondContact O-N 3.31Å; V426-E428 PolarHBondContact O-N 3.12Å; E428-M430 PolarHBondContact O-N 3.48Å; E428-S431 PolarHBondContact O-N 3.39Å
429K86.1Confident83Confident151 Ų15143.5 Ų43.566%0.65725%0.247SC*.Hα-helixtrans-66.4-28.5173.9-71.5172.2-176.61760112.5Q425 V426 L427 S433Q425-K429 VanDerWaalsContact O-CG 3.31Å; Q425-K429 WeakPolarHBondContact O-CG 3.38Å; Q425-K429 PolarHBondContact O-N 2.83Å; V426-K429 PolarHBondContact O-N 3.41Å; L427-K429 VanDerWaalsContact C-N 3.34Å; L427-K429 PolarHBondContact O-N 2.99Å; K429-S433 PolarHBondContact O-OG 3.45Å
430M82.7Confident83.3Confident0 Ų040.8 Ų40.80%023%0.232CC..Hα-helixtrans-85.7-26.2177.9-66.2176.46700112.7I388 V426 L427 E428 G432 S433 E434 L435I388-M430 HydrophobicContact CD1-CE 3.5Å; I388-M430 HydrophobicContact CD1-SD 4.36Å; I388-M430 HydrophobicContact CG1-CE 3.99Å; I388-M430 HydrophobicContact CG2-CE 4.01Å; V426-M430 HydrophobicContact CG1-SD 3.98Å; V426-M430 WeakPolarHBondContact O-CG 3.45Å; V426-M430 PolarHBondContact O-N 3.31Å; L427-M430 CarbonylContact O-C 3.49Å; L427-M430 PolarHBondContact O-N 3.11Å; L427-M430 VanDerWaalsContact O-N 3.15Å; E428-M430 PolarHBondContact O-N 3.48Å; M430-G432 PolarHBondContact O-N 3.43Å; M430-S433 PolarHBondContact O-N 3.03Å; M430-S433 PolarHBondContact O-OG 3.12Å; M430-S433 VanDerWaalsContact O-OG 3.12Å; M430-E434 HydrophobicContact CE-CB 4.37Å; M430-E434 WeakPolarHBondContact CE-OE2 3.33Å; M430-E434 PolarHBondContact O-N 3.19Å; M430-L435 HydrophobicContact CB-CD1 3.86Å; M430-L435 HydrophobicContact CB-CG 4.17Å; M430-L435 HydrophobicContact CE-CD1 4.26Å; M430-L435 HydrophobicContact CE-CG 4.35Å; M430-L435 PolarHBondContact O-N 3.08Å
431S81.1Confident83.5Confident30 Ų3044 Ų4421%0.2125%0.246CC..BIsolated β-bridgetrans-61.5126.7177.1-171.40000110.6L427 E428 S433 I438L427-S431 WeakPolarHBondContact O-CB 3.5Å; L427-S431 PolarHBondContact O-N 3.07Å; E428-S431 PolarHBondContact O-N 3.39Å; S431-S433 VanDerWaalsContact C-N 3.3Å; S431-S433 PolarHBondContact O-N 3.35Å; S431-I438 WeakPolarHBondContact OG-CG1 3.44Å; S431-I438 PolarHBondContact OG-N 3.32Å; S431-I438 VanDerWaalsContact OG-N 3.11Å; S431-I438 PolarHBondContact OG-O 3.37Å
432G69.5Low83.8Confident65 Ų6544 Ų4467%0.6725%0.246SC*.THydrogen-bonded Turntrans81.6-1.2-178.600000115.3M430 L435M430-G432 PolarHBondContact O-N 3.43Å; G432-L435 WeakPolarHBondContact CA-O 3.31Å; G432-L435 PolarHBondContact N-O 2.62Å
433S73.9Confident84.1Confident86 Ų8640.9 Ų40.960%0.60123%0.233SC*.THydrogen-bonded Turntrans-119.4-69172.857.10000111.6K429 M430 S431K429-S433 PolarHBondContact O-OG 3.45Å; M430-S433 PolarHBondContact O-N 3.03Å; M430-S433 PolarHBondContact O-OG 3.12Å; M430-S433 VanDerWaalsContact O-OG 3.12Å; S431-S433 VanDerWaalsContact C-N 3.3Å; S431-S433 PolarHBondContact O-N 3.35Å
434E69.9Low84.1Confident80 Ų8042.7 Ų42.737%0.37425%0.245SC..THydrogen-bonded Turntrans-98.1-25.5-178.8-66.2177.9-178.100112.2R383 Q392 M430R383-E434 IonicContact CZ-OE1 3.95Å; R383-E434 IonicContact CZ-OE2 2.7Å; R383-E434 IonicContact NE-OE2 3.47Å; R383-E434 VanDerWaalsContact NH1-CD 3.31Å; R383-E434 IonicContact NH1-OE1 2.74Å; R383-E434 PolarHBondContact NH1-OE1 3.46Å; R383-E434 IonicContact NH1-OE2 2.98Å; R383-E434 PolarHBondContact NH1-OE2 2.69Å; Q392-E434 PolarHBondContact NE2-O 3.19Å; M430-E434 HydrophobicContact CE-CB 4.37Å; M430-E434 WeakPolarHBondContact CE-OE2 3.33Å; M430-E434 PolarHBondContact O-N 3.19Å
435L75.6Confident83.8Confident7 Ų744 Ų444%0.03726%0.258CS..BIsolated β-bridgetrans-111.8150.1173-65.6171.3000109.2I388 L391 Q392 I395 L427 M430 G432 I438I388-L435 HydrophobicContact CG2-CD2 4.43Å; L391-L435 HydrophobicContact CD2-CD1 3.98Å; L391-L435 HydrophobicContact CD2-CD2 4.36Å; L391-L435 HydrophobicContact CG-CD2 4.49Å; Q392-L435 HydrophobicContact CG-CD2 3.48Å; Q392-L435 VanDerWaalsContact CG-CD2 3.48Å; I395-L435 HydrophobicContact CD1-CD2 4.09Å; L427-L435 HydrophobicContact CD2-CD1 3.9Å; M430-L435 HydrophobicContact CB-CD1 3.86Å; M430-L435 HydrophobicContact CB-CG 4.17Å; M430-L435 HydrophobicContact CE-CD1 4.26Å; M430-L435 HydrophobicContact CE-CG 4.35Å; M430-L435 PolarHBondContact O-N 3.08Å; G432-L435 WeakPolarHBondContact CA-O 3.31Å; G432-L435 PolarHBondContact N-O 2.62Å; L435-I438 HydrophobicContact CD1-CD1 4.16Å
436D75.6Confident83.8Confident74 Ų7440.6 Ų40.640%0.39624%0.243SC..  trans-51.2152.6164.7-91.1-4.3000111.5I395 K399 I438I395-D436 HydrophobicContact CG2-CB 4.06Å; K399-D436 WeakPolarHBondContact CD-OD2 3.44Å; K399-D436 WeakPolarHBondContact CE-OD2 3.49Å; K399-D436 VanDerWaalsContact NZ-CB 3.26Å; K399-D436 IonicContact NZ-OD1 3.81Å; K399-D436 IonicContact NZ-OD2 2.81Å; K399-D436 PolarHBondContact NZ-OD2 2.94Å; D436-I438 WeakPolarHBondContact O-CG2 3.37Å; D436-I438 PolarHBondContact O-N 3.01Å
437S81.8Confident83.9Confident54 Ų5439.3 Ų39.338%0.37823%0.234SC..SBendtrans-58.3112.9176.3-167.40000110.4Q407 P408Q407-S437 PolarHBondContact NE2-OG 3.27Å; P408-S437 WeakPolarHBondContact CD-O 3.48Å
438I84.7Confident84Confident9 Ų940.1 Ų40.15%0.04624%0.239CC..  trans-124.1149.5-175.658.3172.7000111.1I395 P408 V410 S431 L435 D436 V440I395-I438 HydrophobicContact CD1-CD1 4.38Å; I395-I438 HydrophobicContact CD1-CG2 3.88Å; I395-I438 HydrophobicContact CG1-CG2 4.3Å; I395-I438 HydrophobicContact CG2-CG2 3.97Å; P408-I438 HydrophobicContact CG-CG2 3.73Å; V410-I438 HydrophobicContact CG2-CB 4.33Å; V410-I438 HydrophobicContact CG2-CD1 4.21Å; V410-I438 HydrophobicContact CG2-CG2 4.47Å; S431-I438 WeakPolarHBondContact OG-CG1 3.44Å; S431-I438 PolarHBondContact OG-N 3.32Å; S431-I438 VanDerWaalsContact OG-N 3.11Å; S431-I438 PolarHBondContact OG-O 3.37Å; L435-I438 HydrophobicContact CD1-CD1 4.16Å; D436-I438 WeakPolarHBondContact O-CG2 3.37Å; D436-I438 PolarHBondContact O-N 3.01Å; I438-V440 HydrophobicContact CB-CG2 4.4Å; I438-V440 HydrophobicContact CD1-CG2 3.45Å; I438-V440 VanDerWaalsContact CD1-CG2 3.45Å; I438-V440 HydrophobicContact CG1-CG2 3.59Å
439T87.7Confident84Confident54 Ų5437.2 Ų37.233%0.33123%0.227SC..EExtended strand (participates in β ladder)trans-95.9118.4168.6-58.60000108.5Q407 P408 P409 V410Q407-T439 WeakPolarHBondContact CB-OG1 3.28Å; Q407-T439 PolarHBondContact OE1-OG1 3.43Å; P408-T439 PolarHBondContact O-N 3.03Å; P409-T439 WeakPolarHBondContact CA-O 3.44Å; V410-T439 PolarHBondContact N-O 3.34Å
440V90.9Very high84.2Confident7 Ų730.6 Ų30.64%0.04220%0.198CC..EExtended strand (participates in β ladder)trans-114.7132.7-175.6-161.70000110.6V410 V412 V424 L427 I438V410-V440 HydrophobicContact CB-CG1 4.36Å; V410-V440 HydrophobicContact CB-CG2 4.46Å; V410-V440 HydrophobicContact CG1-CG1 4.42Å; V410-V440 CarbonylContact O-C 3.21Å; V410-V440 VanDerWaalsContact O-CA 3.27Å; V410-V440 WeakPolarHBondContact O-CA 3.27Å; V412-V440 HydrophobicContact CG2-CG1 3.71Å; V424-V440 HydrophobicContact CB-CG1 4.39Å; V424-V440 HydrophobicContact CG1-CB 4.38Å; V424-V440 HydrophobicContact CG1-CG1 4.31Å; V424-V440 HydrophobicContact CG2-CG1 3.94Å; L427-V440 HydrophobicContact CB-CG1 4.21Å; L427-V440 HydrophobicContact CB-CG2 4.16Å; L427-V440 HydrophobicContact CD1-CG1 3.85Å; I438-V440 HydrophobicContact CB-CG2 4.4Å; I438-V440 HydrophobicContact CD1-CG2 3.45Å; I438-V440 VanDerWaalsContact CD1-CG2 3.45Å; I438-V440 HydrophobicContact CG1-CG2 3.59Å
441K93Very high84.6Confident67 Ų6730.6 Ų30.629%0.29120%0.198SC..EExtended strand (participates in β ladder)trans-136.1144.6176.3-62.9-171.2175.6-162.50112.2D335 Q336 V410 Y411 V412D335-K441 WeakPolarHBondContact O-CE 3.49Å; D335-K441 PolarHBondContact O-NZ 3.32Å; Q336-K441 CarbonylContact O-C 3.56Å; Q336-K441 WeakPolarHBondContact O-CA 3.47Å; V410-K441 PolarHBondContact O-N 3.02Å; Y411-K441 CarbonylContact C-O 3.57Å; Y411-K441 VanDerWaalsContact CA-O 3.31Å; Y411-K441 WeakPolarHBondContact CA-O 2.96Å; Y411-K441 HydrophobicContact CD1-CB 4.01Å; Y411-K441 HydrophobicContact CE1-CB 4.2Å; Y411-K441 HydrophobicContact CE1-CD 4.31Å; V412-K441 PolarHBondContact N-O 2.92Å
442D93.6Very high84.9Confident0 Ų035.3 Ų35.30%022%0.219CC..EExtended strand (participates in β ladder)trans-87.7147.1170.892-66.4000112.1L332 Q336 R337 I338 V412 Q421 V424L332-D442 HydrophobicContact CD1-CB 4.09Å; Q336-D442 PolarHBondContact O-N 3.42Å; R337-D442 WeakPolarHBondContact CA-OD1 3.48Å; R337-D442 WeakPolarHBondContact CB-OD1 3.46Å; R337-D442 WeakPolarHBondContact CD-OD1 3.43Å; R337-D442 WeakPolarHBondContact CG-OD1 3.39Å; R337-D442 IonicContact CZ-OD1 3.64Å; R337-D442 IonicContact CZ-OD2 3.91Å; R337-D442 IonicContact NE-OD1 3.24Å; R337-D442 PolarHBondContact NE-OD1 3.03Å; R337-D442 IonicContact NE-OD2 2.77Å; R337-D442 PolarHBondContact NE-OD2 2.98Å; R337-D442 IonicContact NH2-OD1 3.4Å; R337-D442 IonicContact NH2-OD2 3.85Å; R337-D442 PolarHBondContact NH2-OD2 3.02Å; I338-D442 WeakPolarHBondContact CG2-O 3.42Å; I338-D442 PolarHBondContact N-O 2.83Å; V412-D442 WeakPolarHBondContact O-CA 3.22Å; Q421-D442 HydrophobicContact CG-CB 4.36Å; V424-D442 HydrophobicContact CG2-CB 3.95Å
443V91.8Very high85.8Confident0 Ų038.5 Ų38.50%021%0.214CC..EExtended strand (participates in β ladder)trans-86.4111.1170.8-177.80000109.7I338 V340 Y343 V412 I413 G445 G446I338-V443 HydrophobicContact CG2-CG2 4.1Å; V340-V443 HydrophobicContact CG1-CG1 3.59Å; Y343-V443 HydrophobicContact CD1-CG2 4.32Å; Y343-V443 HydrophobicContact CD2-CG2 4.49Å; Y343-V443 HydrophobicContact CG-CG2 4.2Å; V412-V443 PolarHBondContact O-N 3.21Å; I413-V443 HydrophobicContact CB-CB 4.39Å; I413-V443 HydrophobicContact CB-CG2 4.35Å; I413-V443 HydrophobicContact CD1-CB 4.33Å; I413-V443 HydrophobicContact CD1-CG1 4.23Å; I413-V443 HydrophobicContact CG1-CB 4.16Å; V443-G445 PolarHBondContact O-N 3.19Å; V443-G446 PolarHBondContact O-N 2.92Å; V443-G446 VanDerWaalsContact O-N 3.09Å
444C88.3Confident86.6Confident38 Ų3836.5 Ų36.526%0.25720%0.196SC..THydrogen-bonded Turntrans-57.1121.2-178-75.70000112.3R337 I338 G446R337-C444 VanDerWaalsContact CB-SG 3.6Å; R337-C444 PolarHBondContact NE-SG 2.99Å; I338-C444 WeakPolarHBondContact O-CB 3.18Å; I338-C444 PolarHBondContact O-N 3.43Å; C444-G446 PolarHBondContact O-N 3.49Å
445G82.8Confident87.5Confident27 Ų2734.9 Ų34.928%0.27819%0.19SC..THydrogen-bonded Turntrans79.41.1177.600000114.7L416 V443 A449L416-G445 CarbonylContact O-C 3.55Å; L416-G445 WeakPolarHBondContact O-CA 3.32Å; V443-G445 PolarHBondContact O-N 3.19Å; G445-A449 WeakPolarHBondContact O-CB 3.34Å; G445-A449 PolarHBondContact O-N 3.46Å; G445-A449 VanDerWaalsContact O-N 3.12Å
446G89.9Confident88Confident0 Ų039.3 Ų39.30%022%0.219CC..Hα-helixtrans60.7-152.2171.400000114.8C414 V443 C444 M448 A449 W450C414-G446 CarbonylContact O-C 3.57Å; C414-G446 WeakPolarHBondContact O-CA 3.5Å; V443-G446 PolarHBondContact O-N 2.92Å; V443-G446 VanDerWaalsContact O-N 3.09Å; C444-G446 PolarHBondContact O-N 3.49Å; G446-M448 VanDerWaalsContact C-N 3.33Å; G446-M448 PolarHBondContact O-N 3.45Å; G446-A449 PolarHBondContact O-N 2.89Å; G446-W450 PolarHBondContact O-N 3.49Å
447L89.2Confident88.6Confident0 Ų046.1 Ų46.10%024%0.239CC..Hα-helixtrans-67.7-29.4179.2-71.8170.1000113.4R359 L369 I413 C414 K415 W450 A451 F458R359-L447 VanDerWaalsContact NH1-CD1 3.33Å; L369-L447 HydrophobicContact CD1-CD2 4.06Å; L369-L447 HydrophobicContact CG-CD2 3.99Å; I413-L447 HydrophobicContact CD1-CD2 3.59Å; I413-L447 HydrophobicContact CD1-CG 3.87Å; I413-L447 HydrophobicContact CG1-CD2 4.34Å; I413-L447 HydrophobicContact CG1-CG 4.1Å; C414-L447 PolarHBondContact O-N 3.34Å; K415-L447 PolarHBondContact O-N 3.23Å; K415-L447 VanDerWaalsContact O-N 3.16Å; L447-W450 WeakPolarHBondContact O-CB 3.43Å; L447-W450 PolarHBondContact O-N 2.89Å; L447-A451 WeakPolarHBondContact O-CB 3.28Å; L447-A451 PolarHBondContact O-N 3.31Å; L447-F458 HydrophobicContact CB-CE1 4.13Å; L447-F458 HydrophobicContact CD1-CE1 4.45Å; L447-F458 HydrophobicContact CD1-CZ 4.39Å; L447-F458 HydrophobicContact CD2-CE1 4.05Å; L447-F458 HydrophobicContact CD2-CZ 3.84Å; L447-F458 HydrophobicContact CG-CE1 4.44Å
448M88.3Confident88.8Confident18 Ų1844.5 Ų44.59%0.08923%0.225CC..Hα-helixtrans-67-40176.4-64.4-57.3106.200111.3K415 L416 G446 W450 A451 M452 Q460 Y461K415-M448 HydrophobicContact CG-CE 4.36Å; K415-M448 HydrophobicContact CG-CG 4.22Å; K415-M448 WeakPolarHBondContact O-CG 3.47Å; K415-M448 PolarHBondContact O-N 3.08Å; K415-M448 VanDerWaalsContact O-N 3.12Å; L416-M448 HydrophobicContact CD2-CB 3.92Å; L416-M448 HydrophobicContact CD2-CG 3.63Å; G446-M448 VanDerWaalsContact C-N 3.33Å; G446-M448 PolarHBondContact O-N 3.45Å; M448-W450 VanDerWaalsContact C-N 3.32Å; M448-W450 PolarHBondContact O-N 3.34Å; M448-A451 PolarHBondContact O-N 3Å; M448-M452 WeakPolarHBondContact O-CG 3.46Å; M448-M452 PolarHBondContact O-N 3.5Å; M448-Q460 HydrophobicContact SD-CB 4.15Å; M448-Q460 HydrophobicContact SD-CG 4.34Å; M448-Y461 HydrophobicContact CE-CD1 3.87Å; M448-Y461 HydrophobicContact CE-CE1 3.83Å
449A88.1Confident88.9Confident14 Ų1447.1 Ų47.112%0.11624%0.243CC..Hα-helixtrans-66.6-34.8172.600000112.4V340 G445 G446 K453V340-A449 HydrophobicContact CG1-CB 3.83Å; V340-A449 HydrophobicContact CG2-CB 4.29Å; G445-A449 WeakPolarHBondContact O-CB 3.34Å; G445-A449 PolarHBondContact O-N 3.46Å; G445-A449 VanDerWaalsContact O-N 3.12Å; G446-A449 PolarHBondContact O-N 2.89Å; A449-K453 VanDerWaalsContact O-CB 3.31Å; A449-K453 WeakPolarHBondContact O-CB 3.37Å; A449-K453 PolarHBondContact O-N 3.36Å
450W90.3Very high88.6Confident13 Ų1349.6 Ų49.65%0.04925%0.251CS..Hα-helixtrans-62.3-47.8173.3179.6-85.5000111.5V340 Y343 K344 L369 G446 L447 M448 M452 K453 I454 D455V340-W450 HydrophobicContact CG1-CB 4.44Å; Y343-W450 HydrophobicContact CD1-CE3 4.39Å; Y343-W450 AromaticContact CD1-CZ3 3.83Å; Y343-W450 HydrophobicContact CD1-CZ3 3.83Å; Y343-W450 HydrophobicContact CE1-CZ3 4.21Å; K344-W450 HydrophobicContact CB-CH2 4.34Å; K344-W450 HydrophobicContact CB-CZ3 4.05Å; K344-W450 HydrophobicContact CD-CH2 3.68Å; K344-W450 HydrophobicContact CD-CZ2 4.38Å; K344-W450 HydrophobicContact CD-CZ3 4.27Å; L369-W450 HydrophobicContact CD2-CD2 4.5Å; L369-W450 HydrophobicContact CD2-CZ2 4.04Å; G446-W450 PolarHBondContact O-N 3.49Å; L447-W450 WeakPolarHBondContact O-CB 3.43Å; L447-W450 PolarHBondContact O-N 2.89Å; M448-W450 VanDerWaalsContact C-N 3.32Å; M448-W450 PolarHBondContact O-N 3.34Å; W450-M452 PolarHBondContact O-N 2.89Å; W450-K453 PolarHBondContact O-N 3.48Å; W450-I454 HydrophobicContact CD2-CB 3.92Å; W450-I454 HydrophobicContact CD2-CG1 4.12Å; W450-I454 HydrophobicContact CD2-CG2 4.08Å; W450-I454 HydrophobicContact CE3-CB 4.14Å; W450-I454 HydrophobicContact CE3-CG1 3.88Å; W450-I454 HydrophobicContact CE3-CG2 4.2Å; W450-I454 HydrophobicContact CG-CB 4.3Å; W450-I454 HydrophobicContact CH2-CG2 3.93Å; W450-I454 HydrophobicContact CZ2-CB 4.49Å; W450-I454 HydrophobicContact CZ2-CG2 3.75Å; W450-I454 HydrophobicContact CZ3-CG1 4.3Å; W450-I454 HydrophobicContact CZ3-CG2 4.12Å; W450-I454 WeakPolarHBondContact O-CA 3.44Å; W450-I454 WeakPolarHBondContact O-CB 3.32Å; W450-I454 PolarHBondContact O-N 2.96Å; W450-D455 PolarHBondContact O-N 2.94Å
451A89.9Confident87.8Confident0 Ų053.1 Ų53.10%026%0.264CS..Hα-helixtrans-61.3-43.1178.100000112L447 M448 D455 P456 F458 Q460L447-A451 WeakPolarHBondContact O-CB 3.28Å; L447-A451 PolarHBondContact O-N 3.31Å; M448-A451 PolarHBondContact O-N 3Å; A451-D455 WeakPolarHBondContact CA-O 3.34Å; A451-D455 CarbonylContact O-C 3.38Å; A451-D455 VanDerWaalsContact O-O 3.1Å; A451-P456 VanDerWaalsContact O-CA 3.23Å; A451-P456 WeakPolarHBondContact O-CA 3.4Å; A451-F458 HydrophobicContact CB-CB 4.03Å; A451-F458 HydrophobicContact CB-CD1 4.05Å; A451-Q460 HydrophobicContact CB-CG 3.54Å
452M87.4Confident87.6Confident129 Ų12952.4 Ų52.464%0.63526%0.263SS*.Hα-helixtrans-71-36.7-179.2-71.7-179.617900113.8M448 W450M448-M452 WeakPolarHBondContact O-CG 3.46Å; M448-M452 PolarHBondContact O-N 3.5Å; W450-M452 PolarHBondContact O-N 2.89Å
453K89.9Confident87.3Confident132 Ų13255.2 Ų55.257%0.57428%0.276SS*.Hα-helixtrans-108.8-26-167.5-63.4177.6173-179.10114.9V340 A449 W450V340-K453 HydrophobicContact CG2-CB 4.04Å; V340-K453 HydrophobicContact CG2-CD 3.75Å; V340-K453 HydrophobicContact CG2-CG 4.48Å; A449-K453 VanDerWaalsContact O-CB 3.31Å; A449-K453 WeakPolarHBondContact O-CB 3.37Å; A449-K453 PolarHBondContact O-N 3.36Å; W450-K453 PolarHBondContact O-N 3.48Å
454I90.1Very high87Confident44 Ų4458.2 Ų58.223%0.22629%0.292CS..THydrogen-bonded Turntrans-114-53.8-171.7-53.4-58.9000111.3V340 Q341 K344 W450V340-I454 HydrophobicContact CB-CG1 4.14Å; V340-I454 HydrophobicContact CG2-CD1 4.45Å; V340-I454 HydrophobicContact CG2-CG1 4.21Å; Q341-I454 HydrophobicContact CG-CD1 4.03Å; K344-I454 HydrophobicContact CB-CD1 3.9Å; K344-I454 HydrophobicContact CB-CG1 4.39Å; K344-I454 HydrophobicContact CB-CG2 4.26Å; K344-I454 HydrophobicContact CD-CG2 3.75Å; K344-I454 HydrophobicContact CG-CD1 4.2Å; K344-I454 HydrophobicContact CG-CG2 3.82Å; W450-I454 HydrophobicContact CD2-CB 3.92Å; W450-I454 HydrophobicContact CD2-CG1 4.12Å; W450-I454 HydrophobicContact CD2-CG2 4.08Å; W450-I454 HydrophobicContact CE3-CB 4.14Å; W450-I454 HydrophobicContact CE3-CG1 3.88Å; W450-I454 HydrophobicContact CE3-CG2 4.2Å; W450-I454 HydrophobicContact CG-CB 4.3Å; W450-I454 HydrophobicContact CH2-CG2 3.93Å; W450-I454 HydrophobicContact CZ2-CB 4.49Å; W450-I454 HydrophobicContact CZ2-CG2 3.75Å; W450-I454 HydrophobicContact CZ3-CG1 4.3Å; W450-I454 HydrophobicContact CZ3-CG2 4.12Å; W450-I454 WeakPolarHBondContact O-CA 3.44Å; W450-I454 WeakPolarHBondContact O-CB 3.32Å; W450-I454 PolarHBondContact O-N 2.96Å
455D88.2Confident86.9Confident45 Ų4559.4 Ų59.424%0.24129%0.294CS..  trans-13392.6-178.8-172.46.1000111.4W450 A451 R457 F458W450-D455 PolarHBondContact O-N 2.94Å; A451-D455 WeakPolarHBondContact CA-O 3.34Å; A451-D455 CarbonylContact O-C 3.38Å; A451-D455 VanDerWaalsContact O-O 3.1Å; D455-R457 PolarHBondContact O-N 3.42Å; D455-R457 WeakPolarHBondContact OD1-CB 3.24Å; D455-R457 PolarHBondContact OD1-N 3.05Å; D455-R457 VanDerWaalsContact OD1-N 3.11Å; D455-R457 IonicContact OD1-NE 2.99Å; D455-R457 PolarHBondContact OD1-NE 3.22Å; D455-F458 HydrophobicContact CB-CB 4.26Å; D455-F458 WeakPolarHBondContact O-CB 3.48Å; D455-F458 PolarHBondContact O-N 3.2Å
456P86.6Confident87.2Confident100 Ų10061.4 Ų61.465%0.64930%0.295SS*.THydrogen-bonded Turntrans-59.3-15.4176.3-25.735.6000115.1A451 F458A451-P456 VanDerWaalsContact O-CA 3.23Å; A451-P456 WeakPolarHBondContact O-CA 3.4Å; P456-F458 VanDerWaalsContact C-N 3.32Å
457R87.6Confident87Confident217 Ų21765.5 Ų65.582%0.81931%0.314SS*.THydrogen-bonded Turntrans-83.1-12.4174.9-57.4177.4-63.4174.12.3112.3D455D455-R457 PolarHBondContact O-N 3.42Å; D455-R457 WeakPolarHBondContact OD1-CB 3.24Å; D455-R457 PolarHBondContact OD1-N 3.05Å; D455-R457 VanDerWaalsContact OD1-N 3.11Å; D455-R457 IonicContact OD1-NE 2.99Å; D455-R457 PolarHBondContact OD1-NE 3.22Å
458F87.1Confident86.9Confident20 Ų2070.2 Ų70.29%0.08834%0.337CS..SBendtrans-66.7132.3177.4-167.5-89.8000109.9C367 L369 L447 A451 D455 P456 Q460C367-F458 HydrophobicContact CB-CE1 4.01Å; C367-F458 HydrophobicContact CB-CE2 4.34Å; C367-F458 HydrophobicContact CB-CZ 3.72Å; C367-F458 WeakPolarHBondContact SG-CE1 3.45Å; L369-F458 HydrophobicContact CD2-CD2 4.41Å; L369-F458 HydrophobicContact CD2-CE2 4Å; L447-F458 HydrophobicContact CB-CE1 4.13Å; L447-F458 HydrophobicContact CD1-CE1 4.45Å; L447-F458 HydrophobicContact CD1-CZ 4.39Å; L447-F458 HydrophobicContact CD2-CE1 4.05Å; L447-F458 HydrophobicContact CD2-CZ 3.84Å; L447-F458 HydrophobicContact CG-CE1 4.44Å; A451-F458 HydrophobicContact CB-CB 4.03Å; A451-F458 HydrophobicContact CB-CD1 4.05Å; D455-F458 HydrophobicContact CB-CB 4.26Å; D455-F458 WeakPolarHBondContact O-CB 3.48Å; D455-F458 PolarHBondContact O-N 3.2Å; P456-F458 VanDerWaalsContact C-N 3.32Å; F458-Q460 PolarHBondContact O-N 2.77Å
459P85.3Confident86.8Confident65 Ų6574.2 Ų74.242%0.42236%0.356SS..  trans-59.6130.9-177.9-25.234.6000113C367C367-P459 HydrophobicContact CB-CB 4.06Å; C367-P459 HydrophobicContact CB-CG 3.93Å
460Q81.9Confident86.7Confident105 Ų10579.3 Ų79.349%0.49138%0.376SS..  trans-104.2135.5171.4-63.7178.250.300109M448 A451 F458M448-Q460 HydrophobicContact SD-CB 4.15Å; M448-Q460 HydrophobicContact SD-CG 4.34Å; A451-Q460 HydrophobicContact CB-CG 3.54Å; F458-Q460 PolarHBondContact O-N 2.77Å
461Y75.6Confident86.3Confident81 Ų8185.3 Ų85.332%0.31841%0.406SS..  trans-148.90-175.971.4-84.8000112R359 E363 I366 K415 M448R359-Y461 WeakPolarHBondContact CD-OH 3.25Å; R359-Y461 PolarHBondContact NH1-OH 2.76Å; E363-Y461 HydrophobicContact CG-CE2 4.13Å; E363-Y461 PolarHBondContact OE2-OH 3.27Å; I366-Y461 HydrophobicContact CD1-CD2 4Å; I366-Y461 HydrophobicContact CD1-CE2 4.12Å; I366-Y461 HydrophobicContact CD1-CG 4.39Å; I366-Y461 HydrophobicContact CG2-CD1 4.11Å; I366-Y461 HydrophobicContact CG2-CG 4.3Å; K415-Y461 HydrophobicContact CD-CD2 4.44Å; K415-Y461 HydrophobicContact CD-CE2 3.75Å; K415-Y461 WeakPolarHBondContact CE-O 3.12Å; K415-Y461 HydrophobicContact CG-CE2 4.32Å; K415-Y461 VanDerWaalsContact NZ-C 3.29Å; K415-Y461 PolarHBondContact NZ-O 2.93Å; K415-Y461 PolarHBondContact NZ-OXT 3.29Å; M448-Y461 HydrophobicContact CE-CD1 3.87Å; M448-Y461 HydrophobicContact CE-CE1 3.83Å

Retrieved 461 of 461 residues in 410.7 ms (Link to these results)

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