A0A3Q0KKV8_SCHMA Loading...

Glycosyltransferase family 61 protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KKV8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 545 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
1M54.8Low53.5Low222 Ų222160.2 Ų160.2100%1.09472%0.715SS**  0-20.40-136.7164162.300114.6
2N55Low53.6Low138 Ų138161.7 Ų161.774%0.73871%0.711SS**Hα-helixtrans-80.7-17.5-179-79-26.7000116.5
3F51.5Low53.6Low169 Ų169157.8 Ų157.874%0.74170%0.701SS**Hα-helixtrans-76-32.8-179.7-147.4-99.8000113.2R5 K6 I7F3-R5 PolarHBondContact O-N 3.23Å; F3-K6 PolarHBondContact O-N 3.48Å; F3-I7 HydrophobicContact CD1-CD1 4.03Å; F3-I7 HydrophobicContact CE1-CD1 4.14Å; F3-I7 PolarHBondContact O-N 3.49Å
4R53.5Low53.8Low217 Ų217160.1 Ų160.182%0.81970%0.703SS**Hα-helixtrans-69.9-29.8177.4-85.8-174166.1-177.2-3.8113.4F8R4-F8 PolarHBondContact O-N 3.46Å
5R52.5Low54.2Low194 Ų194153.3 Ų153.373%0.73268%0.679SS**Hα-helixtrans-71.3-33.9176.5-87.7-175.8170.7-179.6-2.7113F3 F8 Y9F3-R5 PolarHBondContact O-N 3.23Å; R5-F8 PolarHBondContact O-N 3.48Å; R5-Y9 PolarHBondContact O-N 2.95Å; R5-Y9 VanDerWaalsContact O-N 3.12Å
6K52.4Low54.8Low163 Ų163150 Ų15071%0.70967%0.669SS**Hα-helixtrans-70.6-38178.8-126.8177.4-176.2-179.10112.1F3 Y9 T10F3-K6 PolarHBondContact O-N 3.48Å; K6-Y9 PolarHBondContact O-N 3.07Å; K6-T10 PolarHBondContact O-N 3.46Å; K6-T10 PolarHBondContact O-OG1 3.12Å
7I54.6Low55.7Low89 Ų89145 Ų14546%0.45666%0.656SS.*Hα-helixtrans-67.1-40.4174.9-65.4171.4000110.9F3 Y9 T10 F11F3-I7 HydrophobicContact CD1-CD1 4.03Å; F3-I7 HydrophobicContact CE1-CD1 4.14Å; F3-I7 PolarHBondContact O-N 3.49Å; I7-Y9 PolarHBondContact O-N 2.96Å; I7-T10 PolarHBondContact O-N 3.47Å; I7-T10 PolarHBondContact O-OG1 2.92Å; I7-F11 WeakPolarHBondContact O-CB 3.43Å; I7-F11 PolarHBondContact O-N 3.18Å
8F52.6Low56.4Low162 Ų162144.7 Ų144.771%0.71165%0.653SS**Hα-helixtrans-65.6-37.5177.3-118.8-89.5000112.7R4 R5 R12R4-F8 PolarHBondContact O-N 3.46Å; R5-F8 PolarHBondContact O-N 3.48Å; F8-R12 VanDerWaalsContact O-CB 3.26Å; F8-R12 WeakPolarHBondContact O-CB 3.35Å; F8-R12 PolarHBondContact O-N 3.47Å
9Y53Low57.2Low175 Ų175144.8 Ų144.869%0.68665%0.653SS**Hα-helixtrans-69.9-43176.4-109.4-90.4000112.6R5 K6 I7 R12 L13R5-Y9 PolarHBondContact O-N 2.95Å; R5-Y9 VanDerWaalsContact O-N 3.12Å; K6-Y9 PolarHBondContact O-N 3.07Å; I7-Y9 PolarHBondContact O-N 2.96Å; Y9-R12 PolarHBondContact O-N 3.49Å; Y9-L13 HydrophobicContact CD1-CD1 3.98Å; Y9-L13 WeakPolarHBondContact O-CB 3.49Å; Y9-L13 WeakPolarHBondContact O-CD1 3.26Å; Y9-L13 PolarHBondContact O-N 3.01Å
10T54.5Low57.9Low88 Ų88141.1 Ų141.154%0.5464%0.642SS.*Hα-helixtrans-68.5-34.7176.544.10000112.4K6 I7 R14K6-T10 PolarHBondContact O-N 3.46Å; K6-T10 PolarHBondContact O-OG1 3.12Å; I7-T10 PolarHBondContact O-N 3.47Å; I7-T10 PolarHBondContact O-OG1 2.92Å; T10-R14 WeakPolarHBondContact O-CB 3.23Å; T10-R14 PolarHBondContact O-N 2.91Å
11F53.7Low58.7Low145 Ų145138 Ų13864%0.63663%0.634SS**Hα-helixtrans-65.5-45.8172.5-135.3-92.9000110.9I7 L13 R14 T15I7-F11 WeakPolarHBondContact O-CB 3.43Å; I7-F11 PolarHBondContact O-N 3.18Å; F11-L13 PolarHBondContact O-N 3.26Å; F11-R14 PolarHBondContact O-N 3.16Å; F11-T15 PolarHBondContact O-N 2.85Å; F11-T15 PolarHBondContact O-OG1 2.93Å
12R55.5Low59.7Low178 Ų178132.4 Ų132.467%0.67261%0.607SS**Hα-helixtrans-63.9-41.7179.9-155.9174.1-178.3166.30.4112.1F8 Y9 T15 I16F8-R12 VanDerWaalsContact O-CB 3.26Å; F8-R12 WeakPolarHBondContact O-CB 3.35Å; F8-R12 PolarHBondContact O-N 3.47Å; Y9-R12 PolarHBondContact O-N 3.49Å; R12-T15 VanDerWaalsContact CA-OG1 3.31Å; R12-T15 WeakPolarHBondContact CA-OG1 3.39Å; R12-T15 PolarHBondContact O-N 2.9Å; R12-T15 PolarHBondContact O-OG1 3.35Å; R12-I16 HydrophobicContact CG-CD1 4.21Å; R12-I16 WeakPolarHBondContact O-CD1 3.47Å; R12-I16 VanDerWaalsContact O-CG1 3.23Å; R12-I16 WeakPolarHBondContact O-CG1 3.31Å; R12-I16 PolarHBondContact O-N 3.22Å
13L52.9Low60.8Low111 Ų111131.3 Ų131.358%0.58160%0.601SS**Hα-helixtrans-64.9-39.1173.4-96.3119.8000112.8Y9 F11 I16 S17Y9-L13 HydrophobicContact CD1-CD1 3.98Å; Y9-L13 WeakPolarHBondContact O-CB 3.49Å; Y9-L13 WeakPolarHBondContact O-CD1 3.26Å; Y9-L13 PolarHBondContact O-N 3.01Å; F11-L13 PolarHBondContact O-N 3.26Å; L13-I16 PolarHBondContact O-N 3.35Å; L13-S17 WeakPolarHBondContact O-CB 3.23Å; L13-S17 PolarHBondContact O-N 2.79Å
14R57.1Low62.1Low191 Ų191127.7 Ų127.772%0.72159%0.588SS**Hα-helixtrans-66.2-39.4175-108.3179.3165.4172.1-3.6112.3T10 F11 K18T10-R14 WeakPolarHBondContact O-CB 3.23Å; T10-R14 PolarHBondContact O-N 2.91Å; F11-R14 PolarHBondContact O-N 3.16Å; R14-K18 WeakPolarHBondContact O-CG 3.33Å; R14-K18 PolarHBondContact O-N 2.91Å
15T59.1Low63.3Low57 Ų57122.4 Ų122.435%0.3558%0.575SS.*Hα-helixtrans-65.5-44.8172.727.20000111.6F11 R12 S17 K18 F19F11-T15 PolarHBondContact O-N 2.85Å; F11-T15 PolarHBondContact O-OG1 2.93Å; R12-T15 VanDerWaalsContact CA-OG1 3.31Å; R12-T15 WeakPolarHBondContact CA-OG1 3.39Å; R12-T15 PolarHBondContact O-N 2.9Å; R12-T15 PolarHBondContact O-OG1 3.35Å; T15-S17 VanDerWaalsContact C-N 3.33Å; T15-S17 PolarHBondContact O-N 2.92Å; T15-K18 PolarHBondContact O-N 3.15Å; T15-F19 VanDerWaalsContact O-CD2 3.23Å; T15-F19 WeakPolarHBondContact O-CD2 3.38Å; T15-F19 PolarHBondContact O-N 2.92Å
16I63.7Low64.5Low101 Ų101115.2 Ų115.252%0.51856%0.558SS.*Hα-helixtrans-61.7-42.4178.7-67.9163.6000110.6R12 L13 F19 T20R12-I16 HydrophobicContact CG-CD1 4.21Å; R12-I16 WeakPolarHBondContact O-CD1 3.47Å; R12-I16 VanDerWaalsContact O-CG1 3.23Å; R12-I16 WeakPolarHBondContact O-CG1 3.31Å; R12-I16 PolarHBondContact O-N 3.22Å; L13-I16 PolarHBondContact O-N 3.35Å; I16-F19 PolarHBondContact O-N 3.24Å; I16-T20 PolarHBondContact O-N 3.41Å; I16-T20 PolarHBondContact O-OG1 2.9Å
17S69.9Low65.6Low65 Ų65110.3 Ų110.346%0.45554%0.543SS..Hα-helixtrans-62.3-43.9175.3169.30000112.5L13 T15 T20 V21L13-S17 WeakPolarHBondContact O-CB 3.23Å; L13-S17 PolarHBondContact O-N 2.79Å; T15-S17 VanDerWaalsContact C-N 3.33Å; T15-S17 PolarHBondContact O-N 2.92Å; S17-T20 VanDerWaalsContact CA-OG1 3.31Å; S17-T20 WeakPolarHBondContact CA-OG1 3.31Å; S17-T20 PolarHBondContact O-N 2.89Å; S17-T20 PolarHBondContact O-OG1 2.8Å; S17-V21 WeakPolarHBondContact O-CG2 3.28Å; S17-V21 PolarHBondContact O-N 3.4Å
18K69.3Low66.7Low139 Ų139112.5 Ų112.560%0.60455%0.55SS*.Hα-helixtrans-63.2-42.6175-75.9-177.2176.8-171.20111.7R14 T15 V21 I22R14-K18 WeakPolarHBondContact O-CG 3.33Å; R14-K18 PolarHBondContact O-N 2.91Å; T15-K18 PolarHBondContact O-N 3.15Å; K18-V21 PolarHBondContact O-N 3.39Å; K18-I22 WeakPolarHBondContact O-CB 3.24Å; K18-I22 WeakPolarHBondContact O-CD1 3.16Å; K18-I22 WeakPolarHBondContact O-CG1 3.07Å; K18-I22 PolarHBondContact O-N 3.04Å
19F70.5Confident67.8Low148 Ų148111.2 Ų111.265%0.64955%0.547SS*.Hα-helixtrans-65.1-37.8175.9-86.1-73.2000112.4T15 I16 I22 L23T15-F19 VanDerWaalsContact O-CD2 3.23Å; T15-F19 WeakPolarHBondContact O-CD2 3.38Å; T15-F19 PolarHBondContact O-N 2.92Å; I16-F19 PolarHBondContact O-N 3.24Å; F19-I22 PolarHBondContact O-N 3.4Å; F19-L23 VanDerWaalsContact O-CB 3.28Å; F19-L23 WeakPolarHBondContact O-CB 3.45Å; F19-L23 PolarHBondContact O-N 3Å
20T71Confident68.7Low69 Ų69108.5 Ų108.542%0.42354%0.544SS..Hα-helixtrans-67.8-41.4175.514.80000111.9I16 S17 L23 I24I16-T20 PolarHBondContact O-N 3.41Å; I16-T20 PolarHBondContact O-OG1 2.9Å; S17-T20 VanDerWaalsContact CA-OG1 3.31Å; S17-T20 WeakPolarHBondContact CA-OG1 3.31Å; S17-T20 PolarHBondContact O-N 2.89Å; S17-T20 PolarHBondContact O-OG1 2.8Å; T20-L23 PolarHBondContact O-N 2.86Å; T20-I24 WeakPolarHBondContact O-CB 3.2Å; T20-I24 WeakPolarHBondContact O-CD1 3.33Å; T20-I24 WeakPolarHBondContact O-CG1 3.44Å; T20-I24 PolarHBondContact O-N 2.93Å
21V74.7Confident69.5Low78 Ų78108.9 Ų108.947%0.47354%0.542SS..Hα-helixtrans-64.9-42.2176173.40000111.2S17 K18 I24 L25S17-V21 WeakPolarHBondContact O-CG2 3.28Å; S17-V21 PolarHBondContact O-N 3.4Å; K18-V21 PolarHBondContact O-N 3.39Å; V21-I24 PolarHBondContact O-N 3.5Å; V21-L25 HydrophobicContact CG1-CD1 3.92Å; V21-L25 HydrophobicContact CG1-CG 4.45Å; V21-L25 WeakPolarHBondContact O-CB 3.45Å; V21-L25 WeakPolarHBondContact O-CG 3.29Å; V21-L25 PolarHBondContact O-N 2.95Å
22I77.6Confident69.9Low104 Ų104105.3 Ų105.353%0.53354%0.535SS..Hα-helixtrans-63.8-42.4175.7-68.3165000110.7K18 F19 L25 A26K18-I22 WeakPolarHBondContact O-CB 3.24Å; K18-I22 WeakPolarHBondContact O-CD1 3.16Å; K18-I22 WeakPolarHBondContact O-CG1 3.07Å; K18-I22 PolarHBondContact O-N 3.04Å; F19-I22 PolarHBondContact O-N 3.4Å; I22-L25 PolarHBondContact O-N 3.33Å; I22-A26 VanDerWaalsContact O-CB 3.25Å; I22-A26 WeakPolarHBondContact O-CB 3.21Å; I22-A26 PolarHBondContact O-N 2.74Å
23L76.6Confident70.4Confident115 Ų115101.1 Ų101.160%0.60253%0.525SS*.Hα-helixtrans-65-42177.7-164.878000111.5F19 T20 A26 C27F19-L23 VanDerWaalsContact O-CB 3.28Å; F19-L23 WeakPolarHBondContact O-CB 3.45Å; F19-L23 PolarHBondContact O-N 3Å; T20-L23 PolarHBondContact O-N 2.86Å; L23-A26 PolarHBondContact O-N 2.89Å; L23-C27 WeakPolarHBondContact O-CB 3.34Å; L23-C27 PolarHBondContact O-N 3.17Å; L23-C27 PolarHBondContact O-SG 3.5Å
24I78.6Confident70.9Confident92 Ų92102.9 Ų102.947%0.47253%0.525SS..Hα-helixtrans-63.5-46.4176.1-70.3165.3000110.4T20 V21 A26 C27 F28T20-I24 WeakPolarHBondContact O-CB 3.2Å; T20-I24 WeakPolarHBondContact O-CD1 3.33Å; T20-I24 WeakPolarHBondContact O-CG1 3.44Å; T20-I24 PolarHBondContact O-N 2.93Å; V21-I24 PolarHBondContact O-N 3.5Å; I24-A26 PolarHBondContact O-N 3.33Å; I24-C27 PolarHBondContact O-N 3.41Å; I24-F28 HydrophobicContact CG2-CD2 3.62Å; I24-F28 HydrophobicContact CG2-CE2 3.57Å; I24-F28 VanDerWaalsContact O-CD2 3.23Å; I24-F28 WeakPolarHBondContact O-CD2 3.49Å; I24-F28 PolarHBondContact O-N 2.65Å
25L78.5Confident70.9Confident106 Ų10697.2 Ų97.256%0.55551%0.511SS*.Hα-helixtrans-64.3-38.6176.9-73.2170.1000112.3V21 I22 F28 M29V21-L25 HydrophobicContact CG1-CD1 3.92Å; V21-L25 HydrophobicContact CG1-CG 4.45Å; V21-L25 WeakPolarHBondContact O-CB 3.45Å; V21-L25 WeakPolarHBondContact O-CG 3.29Å; V21-L25 PolarHBondContact O-N 2.95Å; I22-L25 PolarHBondContact O-N 3.33Å; L25-F28 PolarHBondContact O-N 2.87Å; L25-M29 WeakPolarHBondContact O-CB 3.4Å; L25-M29 PolarHBondContact O-N 3.3Å
26A78.6Confident70.5Confident44 Ų4497.7 Ų97.736%0.36451%0.514SS..Hα-helixtrans-65.6-41.4174.300000111.3I22 L23 I24 M29 L30I22-A26 VanDerWaalsContact O-CB 3.25Å; I22-A26 WeakPolarHBondContact O-CB 3.21Å; I22-A26 PolarHBondContact O-N 2.74Å; L23-A26 PolarHBondContact O-N 2.89Å; I24-A26 PolarHBondContact O-N 3.33Å; A26-M29 PolarHBondContact O-N 3.27Å; A26-L30 WeakPolarHBondContact O-CB 3.39Å; A26-L30 VanDerWaalsContact O-CG 3.28Å; A26-L30 WeakPolarHBondContact O-CG 3.32Å; A26-L30 PolarHBondContact O-N 3.18Å
27C76.6Confident69.7Low60 Ų6096.8 Ų96.841%0.40551%0.51SS..Hα-helixtrans-62.7-43.3172.3-74.10000111.6L23 I24 L30 I31L23-C27 WeakPolarHBondContact O-CB 3.34Å; L23-C27 PolarHBondContact O-N 3.17Å; L23-C27 PolarHBondContact O-SG 3.5Å; I24-C27 PolarHBondContact O-N 3.41Å; C27-L30 PolarHBondContact O-N 3.37Å; C27-I31 WeakPolarHBondContact O-CB 3.42Å; C27-I31 WeakPolarHBondContact O-CD1 3.29Å; C27-I31 WeakPolarHBondContact O-CG1 3.25Å; C27-I31 PolarHBondContact O-N 3.45Å
28F77.1Confident68.4Low135 Ų13597 Ų9759%0.59250%0.504SS*.Hα-helixtrans-64.7-40175.3-86.8-70.1000112.4I24 L25 S32I24-F28 HydrophobicContact CG2-CD2 3.62Å; I24-F28 HydrophobicContact CG2-CE2 3.57Å; I24-F28 VanDerWaalsContact O-CD2 3.23Å; I24-F28 WeakPolarHBondContact O-CD2 3.49Å; I24-F28 PolarHBondContact O-N 2.65Å; L25-F28 PolarHBondContact O-N 2.87Å; F28-S32 WeakPolarHBondContact O-CB 3.2Å; F28-S32 PolarHBondContact O-N 2.92Å
29M75.6Confident67.2Low135 Ų13596.1 Ų96.167%0.66551%0.506SS*.Hα-helixtrans-66.1-41.4173.2-88-137.817900111.8L25 A26 S32 I33L25-M29 WeakPolarHBondContact O-CB 3.4Å; L25-M29 PolarHBondContact O-N 3.3Å; A26-M29 PolarHBondContact O-N 3.27Å; M29-S32 PolarHBondContact O-N 3.03Å; M29-I33 VanDerWaalsContact O-CB 3.31Å; M29-I33 WeakPolarHBondContact O-CB 3.41Å; M29-I33 WeakPolarHBondContact O-CD1 3.39Å; M29-I33 WeakPolarHBondContact O-CG1 3.08Å; M29-I33 PolarHBondContact O-N 3.42Å
30L72Confident65.8Low117 Ų11796 Ų9661%0.61351%0.505SS*.Hα-helixtrans-66-40.8176.4-76.1168.5000111.6A26 C27 Y34A26-L30 WeakPolarHBondContact O-CB 3.39Å; A26-L30 VanDerWaalsContact O-CG 3.28Å; A26-L30 WeakPolarHBondContact O-CG 3.32Å; A26-L30 PolarHBondContact O-N 3.18Å; C27-L30 PolarHBondContact O-N 3.37Å; L30-Y34 WeakPolarHBondContact O-CB 3.47Å; L30-Y34 PolarHBondContact O-N 3.32Å
31I71.1Confident64Low97 Ų9798.5 Ų98.550%0.49752%0.516SS..Hα-helixtrans-65.1-43173-68.5163.1000109.6C27 Y34 V35C27-I31 WeakPolarHBondContact O-CB 3.42Å; C27-I31 WeakPolarHBondContact O-CD1 3.29Å; C27-I31 WeakPolarHBondContact O-CG1 3.25Å; C27-I31 PolarHBondContact O-N 3.45Å; I31-Y34 PolarHBondContact O-N 2.91Å; I31-V35 HydrophobicContact CG2-CG2 4.14Å; I31-V35 VanDerWaalsContact O-CB 3.28Å; I31-V35 WeakPolarHBondContact O-CB 3.4Å; I31-V35 WeakPolarHBondContact O-CG2 3.43Å; I31-V35 PolarHBondContact O-N 3.4Å
32S63Low62.2Low69 Ų6999.6 Ų99.648%0.48352%0.516SS..Hα-helixtrans-65.9-43.6178.6-165.70000110.9F28 M29 V35 T36F28-S32 WeakPolarHBondContact O-CB 3.2Å; F28-S32 PolarHBondContact O-N 2.92Å; M29-S32 PolarHBondContact O-N 3.03Å; S32-V35 PolarHBondContact O-N 2.04Å; S32-T36 VanDerWaalsContact O-CB 3.25Å; S32-T36 WeakPolarHBondContact O-CB 3.47Å; S32-T36 PolarHBondContact O-N 2.89Å; S32-T36 PolarHBondContact O-OG1 2.96Å
33I63.9Low60.3Low90 Ų90100.7 Ų100.746%0.46252%0.519SS..Hα-helixtrans-63.8-42.2173.1-68.9164.1000110.5M29 T36 N37M29-I33 VanDerWaalsContact O-CB 3.31Å; M29-I33 WeakPolarHBondContact O-CB 3.41Å; M29-I33 WeakPolarHBondContact O-CD1 3.39Å; M29-I33 WeakPolarHBondContact O-CG1 3.08Å; M29-I33 PolarHBondContact O-N 3.42Å; I33-T36 PolarHBondContact O-N 3.34Å; I33-N37 VanDerWaalsContact O-CB 3.24Å; I33-N37 WeakPolarHBondContact O-CB 3.22Å; I33-N37 PolarHBondContact O-N 3.17Å
34Y64Low58.5Low148 Ų148101 Ų10158%0.5852%0.521SS*.Hα-helixtrans-63.7-44.3176.7-179.4-99.2000111.5L30 I31 N37 Q38L30-Y34 WeakPolarHBondContact O-CB 3.47Å; L30-Y34 PolarHBondContact O-N 3.32Å; I31-Y34 PolarHBondContact O-N 2.91Å; Y34-N37 PolarHBondContact O-N 3.23Å; Y34-Q38 HydrophobicContact CD1-CG 4.14Å; Y34-Q38 HydrophobicContact CE1-CG 3.84Å; Y34-Q38 HydrophobicContact CE2-CG 4.37Å; Y34-Q38 VanDerWaalsContact O-CB 3.23Å; Y34-Q38 WeakPolarHBondContact O-CB 3.5Å; Y34-Q38 WeakPolarHBondContact O-CG 3.41Å; Y34-Q38 PolarHBondContact O-N 2.83Å; Y34-Q38 PolarHBondContact OH-NE2 2.63Å
35V56.7Low57.2Low72 Ų72100 Ų10044%0.43651%0.514SS..Hα-helixtrans-66.8-38.6174.8171.10000110.9I31 S32 N39I31-V35 HydrophobicContact CG2-CG2 4.14Å; I31-V35 VanDerWaalsContact O-CB 3.28Å; I31-V35 WeakPolarHBondContact O-CB 3.4Å; I31-V35 WeakPolarHBondContact O-CG2 3.43Å; I31-V35 PolarHBondContact O-N 3.4Å; S32-V35 PolarHBondContact O-N 2.04Å; V35-N39 WeakPolarHBondContact O-CB 3.45Å; V35-N39 PolarHBondContact O-N 2.85Å
36T52.1Low56Low68 Ų6895.7 Ų95.742%0.41749%0.491SS..Hα-helixtrans-71.7-35.9178-45.60000111.3S32 I33 N39 K40S32-T36 VanDerWaalsContact O-CB 3.25Å; S32-T36 WeakPolarHBondContact O-CB 3.47Å; S32-T36 PolarHBondContact O-N 2.89Å; S32-T36 PolarHBondContact O-OG1 2.96Å; I33-T36 PolarHBondContact O-N 3.34Å; T36-N39 PolarHBondContact O-N 3.19Å; T36-K40 WeakPolarHBondContact O-CG 3.48Å; T36-K40 PolarHBondContact O-N 3.27Å
37N46Very low54.5Low81 Ų8197.9 Ų97.943%0.43350%0.497SS..Hα-helixtrans-75.3-36.5174-89.4-15.1000112I33 Y34 N39 K40 N41I33-N37 VanDerWaalsContact O-CB 3.24Å; I33-N37 WeakPolarHBondContact O-CB 3.22Å; I33-N37 PolarHBondContact O-N 3.17Å; Y34-N37 PolarHBondContact O-N 3.23Å; N37-N39 VanDerWaalsContact C-N 3.29Å; N37-N39 PolarHBondContact O-N 3.36Å; N37-K40 CarbonylContact O-C 3.52Å; N37-K40 PolarHBondContact O-N 3.4Å; N37-K40 VanDerWaalsContact O-N 3.15Å; N37-N41 VanDerWaalsContact O-CB 3.24Å; N37-N41 WeakPolarHBondContact O-CB 3.41Å; N37-N41 VanDerWaalsContact O-CG 3.26Å; N37-N41 PolarHBondContact O-N 2.88Å
38Q44Very low53.4Low70 Ų7095.1 Ų95.133%0.32748%0.478SS..Hα-helixtrans-59.1-43.5168.1-79.1-80.47.400110.1Y34 K40 N41 H42Y34-Q38 HydrophobicContact CD1-CG 4.14Å; Y34-Q38 HydrophobicContact CE1-CG 3.84Å; Y34-Q38 HydrophobicContact CE2-CG 4.37Å; Y34-Q38 VanDerWaalsContact O-CB 3.23Å; Y34-Q38 WeakPolarHBondContact O-CB 3.5Å; Y34-Q38 WeakPolarHBondContact O-CG 3.41Å; Y34-Q38 PolarHBondContact O-N 2.83Å; Y34-Q38 PolarHBondContact OH-NE2 2.63Å; Q38-K40 VanDerWaalsContact C-N 3.3Å; Q38-K40 PolarHBondContact O-N 3Å; Q38-N41 PolarHBondContact O-N 3.29Å; Q38-H42 PolarHBondContact O-CD2 3.35Å; Q38-H42 PolarHBondContact O-N 2.85Å; Q38-H42 VanDerWaalsContact O-N 3.15Å; Q38-H42 PolarHBondContact OE1-NE2 2.65Å
39N42.5Very low51.9Low120 Ų12095.5 Ų95.564%0.64248%0.482SS*.Hα-helixtrans-68.1-23.6174.4-84-15000114.3V35 T36 N37V35-N39 WeakPolarHBondContact O-CB 3.45Å; V35-N39 PolarHBondContact O-N 2.85Å; T36-N39 PolarHBondContact O-N 3.19Å; N37-N39 VanDerWaalsContact C-N 3.29Å; N37-N39 PolarHBondContact O-N 3.36Å
40K40.8Very low50.5Low145 Ų14599 Ų9963%0.6350%0.496SS*.Hα-helixtrans-88-19.9173.1-77.6-177.5176.1-176.60113.4T36 N37 Q38T36-K40 WeakPolarHBondContact O-CG 3.48Å; T36-K40 PolarHBondContact O-N 3.27Å; N37-K40 CarbonylContact O-C 3.52Å; N37-K40 PolarHBondContact O-N 3.4Å; N37-K40 VanDerWaalsContact O-N 3.15Å; Q38-K40 VanDerWaalsContact C-N 3.3Å; Q38-K40 PolarHBondContact O-N 3Å
41N33.9Very low49.6Very low123 Ų12396.2 Ų96.266%0.65849%0.485SS*.Hα-helixtrans-101.71.8-178-69.7-11.2000114.2N37 Q38 H43N37-N41 VanDerWaalsContact O-CB 3.24Å; N37-N41 WeakPolarHBondContact O-CB 3.41Å; N37-N41 VanDerWaalsContact O-CG 3.26Å; N37-N41 PolarHBondContact O-N 2.88Å; Q38-N41 PolarHBondContact O-N 3.29Å; N41-H43 PolarHBondContact O-N 3.27Å
42H37.2Very low49.2Very low100 Ų10092.2 Ų92.246%0.46347%0.465SS..  trans-87.828.1171.1-85-56.7000114.2Q38 N44Q38-H42 PolarHBondContact O-CD2 3.35Å; Q38-H42 PolarHBondContact O-N 2.85Å; Q38-H42 VanDerWaalsContact O-N 3.15Å; Q38-H42 PolarHBondContact OE1-NE2 2.65Å; H42-N44 VanDerWaalsContact C-N 3.25Å; H42-N44 PolarHBondContact O-N 3.31Å
43H37.5Very low49.6Very low128 Ų12889.4 Ų89.459%0.59345%0.445SS*.  trans-8724.9172.6-88.3-67.2000114.5N41N41-H43 PolarHBondContact O-N 3.27Å
44N38Very low50Low121 Ų12186.9 Ų86.965%0.64743%0.431SS*.  trans-107.870.5152.4-67.72.9000105.7H42H42-N44 VanDerWaalsContact C-N 3.25Å; H42-N44 PolarHBondContact O-N 3.31Å
45E52Low50.6Low72 Ų7282.5 Ų82.534%0.33642%0.418SS..  41.991.491-141.6-163.2-124.600110D47 I149 K245E45-D47 PolarHBondContact O-N 3.2Å; E45-I149 HydrophobicContact CG-CD1 4.29Å; E45-I149 HydrophobicContact CG-CG1 4.47Å; E45-K245 HydrophobicContact CG-CD 4.14Å; E45-K245 PolarHBondContact O-NZ 2.96Å; E45-K245 IonicContact OE2-NZ 3.24Å; E45-K245 PolarHBondContact OE2-NZ 2.79Å
46I52.5Low51.2Low14 Ų1482.4 Ų82.47%0.07241%0.41CS..  trans2.1100.7178-48.3173000112.8V48 V64 I149 L178 L180 K245 V247I46-V48 HydrophobicContact CB-CG2 4.25Å; I46-V48 HydrophobicContact CG2-CG2 3.56Å; I46-V48 PolarHBondContact O-N 3.17Å; I46-V64 HydrophobicContact CD1-CG1 4.12Å; I46-V64 HydrophobicContact CD1-CG2 4.31Å; I46-V64 HydrophobicContact CG2-CG1 4.32Å; I46-I149 HydrophobicContact CD1-CD1 3.59Å; I46-I149 HydrophobicContact CD1-CG2 4.42Å; I46-I149 HydrophobicContact CG1-CD1 3.76Å; I46-L178 HydrophobicContact CD1-CB 4.12Å; I46-L178 HydrophobicContact CD1-CD1 3.83Å; I46-L178 HydrophobicContact CD1-CD2 4.21Å; I46-L178 HydrophobicContact CD1-CG 4.28Å; I46-L178 HydrophobicContact CG1-CB 4.36Å; I46-L180 HydrophobicContact CD1-CD2 4.39Å; I46-L180 HydrophobicContact CG1-CD2 4.14Å; I46-K245 HydrophobicContact CB-CD 4.45Å; I46-K245 VanDerWaalsContact O-CE 3.27Å; I46-K245 WeakPolarHBondContact O-CE 3.44Å; I46-K245 PolarHBondContact O-NZ 2.81Å; I46-V247 HydrophobicContact CD1-CG2 4.26Å
47D47.8Very low52Low91 Ų9184.4 Ų84.449%0.48742%0.418SS..  trans-7172.2178.4-83.4-23.8000109.7E45 E49E45-D47 PolarHBondContact O-N 3.2Å; D47-E49 HydrophobicContact CB-CG 4.35Å; D47-E49 PolarHBondContact O-N 2.86Å
48V53.9Low52.9Low2 Ų283.2 Ų83.21%0.01241%0.409CS..  trans-74.375.4163.7-162.90000106.5I46 T51 E54 V64 K66I46-V48 HydrophobicContact CB-CG2 4.25Å; I46-V48 HydrophobicContact CG2-CG2 3.56Å; I46-V48 PolarHBondContact O-N 3.17Å; V48-T51 WeakPolarHBondContact CG1-O 3.49Å; V48-E54 WeakPolarHBondContact CA-OE1 3.35Å; V48-E54 HydrophobicContact CG1-CG 4.02Å; V48-V64 HydrophobicContact CG2-CG1 3.87Å; V48-K66 HydrophobicContact CB-CD 4.25Å; V48-K66 HydrophobicContact CG1-CB 4.37Å; V48-K66 PolarHBondContact O-NZ 3.37Å
49E44.6Very low54Low142 Ų14281.8 Ų81.866%0.66441%0.413SS*.  trans-91.5133.3175.1-70.6-165.7151.800110D47 T51D47-E49 HydrophobicContact CB-CG 4.35Å; D47-E49 PolarHBondContact O-N 2.86Å; E49-T51 PolarHBondContact O-N 3.27Å
50E46.8Very low55.5Low208 Ų20876.1 Ų76.197%0.97238%0.383SS*.SBendtrans62.9-28.5-177-60.8-169.8165.800119.3
51T53.8Low57.6Low60 Ų6069.2 Ų69.237%0.36835%0.353SS..  trans-98.8145.6176.363.40000111.4V48 E49 T53V48-T51 WeakPolarHBondContact CG1-O 3.49Å; E49-T51 PolarHBondContact O-N 3.27Å; T51-T53 PolarHBondContact O-N 2.89Å; T51-T53 PolarHBondContact OG1-O 3Å
52S62.7Low60.2Low13 Ų1363.3 Ų63.39%0.09132%0.321CS..SBendtrans-80.9-4.3173.960.80000113K66 V108S52-K66 PolarHBondContact O-N 2.96Å; S52-V108 VanDerWaalsContact CB-CB 3.46Å; S52-V108 WeakPolarHBondContact OG-CB 3.37Å; S52-V108 WeakPolarHBondContact OG-CG1 3.43Å; S52-V108 PolarHBondContact OG-O 2.94Å
53T70.2Confident62.8Low9 Ų958.6 Ų58.66%0.05530%0.299CS..EExtended strand (participates in β ladder)trans-153.3132.7-170.2-550000111.5T51 V63 V64 L65 P110 I112T51-T53 PolarHBondContact O-N 2.89Å; T51-T53 PolarHBondContact OG1-O 3Å; T53-V63 HydrophobicContact CG2-CG1 3.93Å; T53-V64 CarbonylContact C-O 3.6Å; T53-V64 WeakPolarHBondContact CA-O 3.34Å; T53-L65 HydrophobicContact CG2-CD2 3.64Å; T53-L65 VanDerWaalsContact OG1-CD2 3.24Å; T53-L65 WeakPolarHBondContact OG1-CD2 3.23Å; T53-P110 HydrophobicContact CG2-CB 4.12Å; T53-P110 WeakPolarHBondContact OG1-CA 3.37Å; T53-P110 WeakPolarHBondContact OG1-CB 3.06Å; T53-I112 HydrophobicContact CG2-CD1 3.3Å; T53-I112 HydrophobicContact CG2-CG1 3.65Å
54E73.7Confident65.5Low38 Ų3852.5 Ų52.518%0.17827%0.271CS..EExtended strand (participates in β ladder)trans-124.5149.1173.3-74.9178.2175.200111.7V48 Y56 V63 V64V48-E54 WeakPolarHBondContact CA-OE1 3.35Å; V48-E54 HydrophobicContact CG1-CG 4.02Å; E54-Y56 HydrophobicContact CB-CD2 4.39Å; E54-Y56 HydrophobicContact CB-CE2 3.74Å; E54-Y56 WeakPolarHBondContact OE2-CE2 3.35Å; E54-Y56 PolarHBondContact OE2-OH 3.27Å; E54-V63 WeakPolarHBondContact O-CA 3.28Å; E54-V64 HydrophobicContact CB-CB 4.43Å; E54-V64 PolarHBondContact N-O 3.5Å; E54-V64 PolarHBondContact O-N 3.36Å
55L74.8Confident68.1Low55 Ų5546.9 Ų46.929%0.28824%0.241SC..EExtended strand (participates in β ladder)trans-119.9117.9178-178.368.3000109.5N61 I62 V63 I112 Q116 L117L55-N61 HydrophobicContact CD1-CB 3.66Å; L55-I62 WeakPolarHBondContact CA-O 3.37Å; L55-V63 HydrophobicContact CD1-CG2 4.11Å; L55-I112 HydrophobicContact CB-CD1 4.21Å; L55-I112 HydrophobicContact CB-CG1 4.43Å; L55-I112 HydrophobicContact CD1-CD1 4.28Å; L55-Q116 HydrophobicContact CD2-CB 4.06Å; L55-L117 HydrophobicContact CD1-CD2 3.93Å
56Y71Confident70Confident70 Ų7046.4 Ų46.428%0.27524%0.238SC..EExtended strand (participates in β ladder)trans-104128.3174.7-65.4-103.6000109.1E54 N61 I62 V64 L178E54-Y56 HydrophobicContact CB-CD2 4.39Å; E54-Y56 HydrophobicContact CB-CE2 3.74Å; E54-Y56 WeakPolarHBondContact OE2-CE2 3.35Å; E54-Y56 PolarHBondContact OE2-OH 3.27Å; Y56-N61 WeakPolarHBondContact O-CA 3.45Å; Y56-I62 PolarHBondContact N-O 2.59Å; Y56-I62 PolarHBondContact O-N 2.81Å; Y56-V64 HydrophobicContact CD2-CG2 3.98Å; Y56-V64 HydrophobicContact CE2-CG2 3.7Å; Y56-L178 HydrophobicContact CD1-CD2 3.84Å; Y56-L178 HydrophobicContact CD2-CD2 3.59Å; Y56-L178 HydrophobicContact CE1-CD2 3.69Å; Y56-L178 HydrophobicContact CE2-CD2 3.46Å; Y56-L178 VanDerWaalsContact CE2-CD2 3.46Å; Y56-L178 HydrophobicContact CG-CD2 3.8Å
57N68.3Low71.9Confident110 Ų11048.4 Ų48.459%0.58825%0.249SC*.EExtended strand (participates in β ladder)trans-113119.6-179.2-173-34.9000111G59N57-G59 PolarHBondContact OD1-N 3.02Å; N57-G59 VanDerWaalsContact OD1-N 3.08Å
58F64.7Low74.2Confident57 Ų5744.1 Ų44.125%0.2523%0.226CC..SBendtrans-138.149.7170.6-166.1-103.1000110.7V60 I173 L177 M279 Y280F58-V60 PolarHBondContact N-O 2.95Å; F58-V60 PolarHBondContact O-N 2.68Å; F58-V60 VanDerWaalsContact O-N 3.08Å; F58-I173 HydrophobicContact CD1-CD1 4.15Å; F58-I173 HydrophobicContact CD1-CG2 4.07Å; F58-I173 HydrophobicContact CE1-CD1 4.11Å; F58-L177 HydrophobicContact CB-CD1 3.41Å; F58-L177 VanDerWaalsContact CB-CD1 3.41Å; F58-L177 HydrophobicContact CB-CD2 4.04Å; F58-L177 HydrophobicContact CB-CG 4.36Å; F58-L177 HydrophobicContact CD1-CD1 4.4Å; F58-L177 HydrophobicContact CD2-CD2 3.82Å; F58-L177 HydrophobicContact CE2-CD2 4.43Å; F58-L177 HydrophobicContact CG-CD1 3.96Å; F58-L177 HydrophobicContact CG-CD2 3.9Å; F58-L177 HydrophobicContact CG-CG 4.49Å; F58-M279 HydrophobicContact CE1-CE 4.29Å; F58-Y280 HydrophobicContact CE1-CD2 4.16Å; F58-Y280 HydrophobicContact CE1-CE2 4.16Å; F58-Y280 HydrophobicContact CE2-CE2 4.26Å; F58-Y280 HydrophobicContact CZ-CD2 4.08Å; F58-Y280 AromaticContact CZ-CE2 3.72Å; F58-Y280 HydrophobicContact CZ-CE2 3.72Å
59G67Low76.1Confident39 Ų3944.1 Ų44.140%0.40223%0.226SC..SBendtrans72.3-8.2-166.900000113.7N57 Y120N57-G59 PolarHBondContact OD1-N 3.02Å; N57-G59 VanDerWaalsContact OD1-N 3.08Å; G59-Y120 PolarHBondContact O-OH 3.46Å
60V74.6Confident78.6Confident1 Ų137.4 Ų37.41%0.00619%0.194CC..SBendtrans-133.6144.8164.8-66.60000109.1F58 E121 P250 A254 P256F58-V60 PolarHBondContact N-O 2.95Å; F58-V60 PolarHBondContact O-N 2.68Å; F58-V60 VanDerWaalsContact O-N 3.08Å; V60-E121 WeakPolarHBondContact CA-OE1 3.34Å; V60-P250 HydrophobicContact CB-CG 3.85Å; V60-P250 HydrophobicContact CG1-CG 4.46Å; V60-P250 HydrophobicContact CG2-CG 4.2Å; V60-A254 HydrophobicContact CG1-CB 4.07Å; V60-A254 WeakPolarHBondContact CG1-O 3.48Å; V60-P256 HydrophobicContact CG1-CG 4.44Å
61N83.9Confident80.9Confident0 Ų028.2 Ų28.20%015%0.152CC..EExtended strand (participates in β ladder)trans-92.1118178-71.6-59.2000110.3L55 Y56 Q116 L117 H118 E121L55-N61 HydrophobicContact CD1-CB 3.66Å; Y56-N61 WeakPolarHBondContact O-CA 3.45Å; N61-Q116 PolarHBondContact ND2-O 3.16Å; N61-L117 HydrophobicContact CB-CD2 3.65Å; N61-H118 PolarHBondContact ND2-CD2 3.12Å; N61-E121 WeakPolarHBondContact CB-OE1 3.39Å; N61-E121 WeakPolarHBondContact CB-OE2 3.44Å; N61-E121 PolarHBondContact N-OE1 3.32Å; N61-E121 PolarHBondContact ND2-OE1 3Å; N61-E121 PolarHBondContact ND2-OE2 2.88Å
62I89.8Confident82.9Confident0 Ų025.5 Ų25.50%014%0.135CC..EExtended strand (participates in β ladder)trans-105.2128.8173.1-63.7154.6000107.9L55 Y56 T174 L177 L178 V247L55-I62 WeakPolarHBondContact CA-O 3.37Å; Y56-I62 PolarHBondContact N-O 2.59Å; Y56-I62 PolarHBondContact O-N 2.81Å; I62-T174 HydrophobicContact CD1-CG2 4.19Å; I62-T174 WeakPolarHBondContact CD1-OG1 3.46Å; I62-T174 HydrophobicContact CG1-CG2 4.46Å; I62-T174 HydrophobicContact CG2-CG2 3.89Å; I62-L177 HydrophobicContact CD1-CD1 3.63Å; I62-L178 HydrophobicContact CG2-CD1 4.2Å; I62-V247 HydrophobicContact CG2-CG1 3.54Å
63V92.1Very high84.3Confident0 Ų029 Ų290%016%0.16CC..EExtended strand (participates in β ladder)trans-106.1125.7-180178.70000109.6T53 E54 L55 L65 I112 V124 L128 V247 I248T53-V63 HydrophobicContact CG2-CG1 3.93Å; E54-V63 WeakPolarHBondContact O-CA 3.28Å; L55-V63 HydrophobicContact CD1-CG2 4.11Å; V63-L65 HydrophobicContact CG1-CD2 3.93Å; V63-L65 HydrophobicContact CG1-CG 4.15Å; V63-I112 HydrophobicContact CB-CD1 4.14Å; V63-I112 HydrophobicContact CG1-CD1 3.54Å; V63-I112 HydrophobicContact CG2-CD1 3.63Å; V63-V124 HydrophobicContact CG2-CG1 3.63Å; V63-L128 HydrophobicContact CG1-CD2 4.3Å; V63-V247 CarbonylContact O-C 3.58Å; V63-V247 WeakPolarHBondContact O-CA 3.34Å; V63-I248 HydrophobicContact CB-CB 4.24Å; V63-I248 HydrophobicContact CB-CD1 4.32Å; V63-I248 HydrophobicContact CG1-CD1 4.3Å; V63-I248 PolarHBondContact N-O 3.28Å; V63-I248 PolarHBondContact O-N 2.95Å
64V93.5Very high85.6Confident0 Ų031.7 Ų31.70%017%0.171CC..EExtended strand (participates in β ladder)trans-107.7127.6172.3-173.10000108.6I46 V48 T53 E54 Y56 L178 L246 V247I46-V64 HydrophobicContact CD1-CG1 4.12Å; I46-V64 HydrophobicContact CD1-CG2 4.31Å; I46-V64 HydrophobicContact CG2-CG1 4.32Å; V48-V64 HydrophobicContact CG2-CG1 3.87Å; T53-V64 CarbonylContact C-O 3.6Å; T53-V64 WeakPolarHBondContact CA-O 3.34Å; E54-V64 HydrophobicContact CB-CB 4.43Å; E54-V64 PolarHBondContact N-O 3.5Å; E54-V64 PolarHBondContact O-N 3.36Å; Y56-V64 HydrophobicContact CD2-CG2 3.98Å; Y56-V64 HydrophobicContact CE2-CG2 3.7Å; V64-L178 HydrophobicContact CG2-CD1 4.1Å; V64-L178 HydrophobicContact CG2-CD2 4.03Å; V64-L246 CarbonylContact C-O 3.56Å; V64-L246 WeakPolarHBondContact CA-O 3.33Å; V64-V247 HydrophobicContact CG1-CG2 4.27Å; V64-V247 HydrophobicContact CG2-CG2 4.18Å
65L93.1Very high86.6Confident3 Ų330.1 Ų30.12%0.01616%0.164CC..EExtended strand (participates in β ladder)trans-115.4139.3175.6-57.2176.3000109.9T53 V63 V68 I104 L131 K245 L246 I248T53-L65 HydrophobicContact CG2-CD2 3.64Å; T53-L65 VanDerWaalsContact OG1-CD2 3.24Å; T53-L65 WeakPolarHBondContact OG1-CD2 3.23Å; V63-L65 HydrophobicContact CG1-CD2 3.93Å; V63-L65 HydrophobicContact CG1-CG 4.15Å; L65-V68 HydrophobicContact CB-CG1 3.63Å; L65-V68 HydrophobicContact CD1-CG1 4.29Å; L65-I104 HydrophobicContact CD1-CD1 4.4Å; L65-I104 HydrophobicContact CD1-CG2 4.06Å; L65-L131 HydrophobicContact CD1-CD1 4.29Å; L65-K245 WeakPolarHBondContact O-CA 3.25Å; L65-L246 HydrophobicContact CB-CB 4.41Å; L65-L246 HydrophobicContact CD1-CD2 4.41Å; L65-L246 PolarHBondContact N-O 3.46Å; L65-L246 PolarHBondContact O-N 3.48Å; L65-I248 HydrophobicContact CD1-CD1 4.1Å
66K91.5Very high87.6Confident63 Ų6330.8 Ų30.827%0.27417%0.17SC..EExtended strand (participates in β ladder)trans-109.5141.9178-166.8-176.8-168.1169.60111.4V48 S52 N244V48-K66 HydrophobicContact CB-CD 4.25Å; V48-K66 HydrophobicContact CG1-CB 4.37Å; V48-K66 PolarHBondContact O-NZ 3.37Å; S52-K66 PolarHBondContact O-N 2.96Å; K66-N244 CarbonylContact C-O 3.55Å; K66-N244 VanDerWaalsContact CA-O 3.25Å; K66-N244 WeakPolarHBondContact CA-O 3.47Å
67N92.9Very high88.7Confident55 Ų5527.8 Ų27.829%0.29416%0.16SC..EExtended strand (participates in β ladder)trans50.659.6174.9-64-26.1000112.8Y144 N244N67-Y144 VanDerWaalsContact CA-CE1 3.47Å; N67-Y144 HydrophobicContact CB-CD1 4.46Å; N67-Y144 HydrophobicContact CB-CE1 3.74Å; N67-Y144 HydrophobicContact CB-CE2 4.49Å; N67-N244 PolarHBondContact N-O 3.14Å; N67-N244 PolarHBondContact OD1-OD1 2.82Å; N67-N244 VanDerWaalsContact OD1-OD1 3.14Å
68V94.9Very high89.9Confident1 Ų122.6 Ų22.61%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-107.6164.6178.9-60.20000110.7L65 I104 K105 I243 L246L65-V68 HydrophobicContact CB-CG1 3.63Å; L65-V68 HydrophobicContact CD1-CG1 4.29Å; V68-I104 HydrophobicContact CB-CG2 4.26Å; V68-I104 HydrophobicContact CG1-CG2 4.36Å; V68-K105 CarbonylContact C-O 3.49Å; V68-K105 VanDerWaalsContact CA-O 3.3Å; V68-K105 WeakPolarHBondContact CA-O 3.39Å; V68-K105 WeakPolarHBondContact CB-O 3.41Å; V68-I243 HydrophobicContact CG2-CB 4.22Å; V68-I243 PolarHBondContact N-O 3.17Å; V68-I243 PolarHBondContact O-N 3.46Å; V68-L246 HydrophobicContact CG2-CB 3.69Å; V68-L246 HydrophobicContact CG2-CD2 3.86Å; V68-L246 HydrophobicContact CG2-CG 4.42Å
69C94.9Very high91.1Very high3 Ų323 Ų232%0.0214%0.137CC..EExtended strand (participates in β ladder)trans-123.8145.9160.371.60000112K105 W139 L240 L241 Y242C69-K105 PolarHBondContact N-O 3.42Å; C69-K105 PolarHBondContact O-N 2.95Å; C69-K105 VanDerWaalsContact SG-CB 3.59Å; C69-W139 HydrophobicContact CB-CZ3 4.42Å; C69-L240 HydrophobicContact CB-CB 4.39Å; C69-L241 CarbonylContact C-O 3.52Å; C69-L241 WeakPolarHBondContact CA-O 3.35Å; C69-Y242 HydrophobicContact CB-CD1 3.61Å; C69-Y242 HydrophobicContact CB-CE1 3.75Å; C69-Y242 HydrophobicContact CB-CG 4.14Å
70I96.6Very high92.4Very high0 Ų021.1 Ų21.10%012%0.118CC..EExtended strand (participates in β ladder)trans-101.2134.3172.8-64.4178.2000108.8P72 F103 I188 I213 L240 L241 I243 L246I70-P72 WeakPolarHBondContact O-CD 3.42Å; I70-F103 CarbonylContact C-O 3.57Å; I70-F103 VanDerWaalsContact CA-O 3.32Å; I70-F103 WeakPolarHBondContact CA-O 3.47Å; I70-F103 HydrophobicContact CG2-CD2 4.06Å; I70-F103 HydrophobicContact CG2-CE1 4.48Å; I70-F103 HydrophobicContact CG2-CE2 3.35Å; I70-F103 HydrophobicContact CG2-CZ 3.6Å; I70-I188 HydrophobicContact CD1-CD1 4.22Å; I70-I213 HydrophobicContact CG2-CD1 3.98Å; I70-L240 WeakPolarHBondContact O-CA 3.49Å; I70-L241 HydrophobicContact CB-CB 4.14Å; I70-L241 HydrophobicContact CB-CD1 4.25Å; I70-L241 HydrophobicContact CG2-CD1 4.21Å; I70-L241 PolarHBondContact N-O 3.36Å; I70-L241 PolarHBondContact O-N 3.48Å; I70-I243 HydrophobicContact CD1-CD1 3.54Å; I70-I243 HydrophobicContact CG1-CD1 4.04Å; I70-L246 HydrophobicContact CD1-CD1 4.06Å; I70-L246 HydrophobicContact CD1-CD2 4.08Å; I70-L246 HydrophobicContact CG1-CD2 4.34Å
71D95.8Very high93.2Very high16 Ų1621 Ų219%0.08612%0.117CC..  trans-108.295174.3-170.1-19.3000110.4S73 K74 F103 K105 L240D71-S73 PolarHBondContact O-N 2.88Å; D71-S73 VanDerWaalsContact O-N 3.08Å; D71-S73 VanDerWaalsContact OD1-CB 3.31Å; D71-S73 WeakPolarHBondContact OD1-CB 3.29Å; D71-S73 PolarHBondContact OD1-N 3.04Å; D71-S73 VanDerWaalsContact OD1-N 3.11Å; D71-S73 PolarHBondContact OD1-OG 3.36Å; D71-K74 HydrophobicContact CB-CG 3.93Å; D71-K74 WeakPolarHBondContact O-CB 3.3Å; D71-K74 PolarHBondContact O-N 3.3Å; D71-F103 PolarHBondContact N-O 3.06Å; D71-F103 WeakPolarHBondContact O-CD2 3.4Å; D71-K105 IonicContact OD2-NZ 2.79Å; D71-K105 PolarHBondContact OD2-NZ 3.43Å; D71-L240 HydrophobicContact CB-CD2 3.52Å; D71-L240 VanDerWaalsContact CG-CD2 3.42Å
72P94.4Very high93.5Very high2 Ų221.9 Ų21.91%0.01312%0.121CC..G310 helixtrans-59.4-22.5-178.6-22.733.5000113.6I70 K74 V75 Y216 R217 H239 L241I70-P72 WeakPolarHBondContact O-CD 3.42Å; P72-K74 PolarHBondContact O-N 2.91Å; P72-V75 WeakPolarHBondContact O-CB 3.3Å; P72-V75 WeakPolarHBondContact O-CG2 3.37Å; P72-V75 PolarHBondContact O-N 3.31Å; P72-Y216 VanDerWaalsContact CB-O 3.27Å; P72-Y216 WeakPolarHBondContact CB-O 3.25Å; P72-Y216 WeakPolarHBondContact CG-O 3.15Å; P72-R217 HydrophobicContact CB-CG 4.07Å; P72-H239 WeakPolarHBondContact CD-O 3.39Å; P72-L241 HydrophobicContact CG-CD1 3.91Å
73S93.2Very high93.4Very high87 Ų8724.7 Ų24.761%0.60814%0.136SC*.G310 helixtrans-67.5-15.7179.1108.50000112.6D71 V75D71-S73 PolarHBondContact O-N 2.88Å; D71-S73 VanDerWaalsContact O-N 3.08Å; D71-S73 VanDerWaalsContact OD1-CB 3.31Å; D71-S73 WeakPolarHBondContact OD1-CB 3.29Å; D71-S73 PolarHBondContact OD1-N 3.04Å; D71-S73 VanDerWaalsContact OD1-N 3.11Å; D71-S73 PolarHBondContact OD1-OG 3.36Å; S73-V75 VanDerWaalsContact C-N 3.29Å
74K96.2Very high93.3Very high65 Ų6525.7 Ų25.728%0.28314%0.143SC..G310 helixtrans-89.58.8178.7-59.4-62.5-177.9175.70113.5D71 P72 Q100 F103D71-K74 HydrophobicContact CB-CG 3.93Å; D71-K74 WeakPolarHBondContact O-CB 3.3Å; D71-K74 PolarHBondContact O-N 3.3Å; P72-K74 PolarHBondContact O-N 2.91Å; K74-Q100 HydrophobicContact CB-CB 4.18Å; K74-Q100 HydrophobicContact CD-CB 4.43Å; K74-Q100 WeakPolarHBondContact O-CB 3.42Å; K74-Q100 PolarHBondContact O-N 3.36Å; K74-F103 HydrophobicContact CB-CB 3.85Å; K74-F103 HydrophobicContact CB-CD2 4.43Å
75V95.9Very high93.1Very high5 Ų531.2 Ų31.23%0.0317%0.17CC..EExtended strand (participates in β ladder)trans-99.1122.8179.1-176.60000110P72 S73 L97 F99 F103 I213 R217P72-V75 WeakPolarHBondContact O-CB 3.3Å; P72-V75 WeakPolarHBondContact O-CG2 3.37Å; P72-V75 PolarHBondContact O-N 3.31Å; S73-V75 VanDerWaalsContact C-N 3.29Å; V75-L97 HydrophobicContact CG1-CB 4.1Å; V75-L97 HydrophobicContact CG1-CD1 3.7Å; V75-L97 HydrophobicContact CG1-CD2 4.38Å; V75-L97 HydrophobicContact CG1-CG 4.27Å; V75-F99 HydrophobicContact CG1-CE1 4.22Å; V75-F99 HydrophobicContact CG2-CD1 4Å; V75-F99 HydrophobicContact CG2-CE1 4.02Å; V75-F103 HydrophobicContact CG2-CD2 3.57Å; V75-F103 HydrophobicContact CG2-CE2 3.37Å; V75-F103 HydrophobicContact CG2-CZ 4.36Å; V75-I213 HydrophobicContact CG1-CG2 4.46Å; V75-I213 HydrophobicContact CG2-CG1 3.92Å; V75-R217 PolarHBondContact O-NE 3.42Å; V75-R217 PolarHBondContact O-NH2 3.18Å
76V94.8Very high92.9Very high69 Ų6938 Ų3842%0.41820%0.199SC..EExtended strand (participates in β ladder)trans-114.3130.5178.3-178.40000109.9N98 Q100V76-N98 HydrophobicContact CB-CB 4.34Å; V76-N98 PolarHBondContact N-O 2.97Å; V76-N98 PolarHBondContact O-N 3.13Å; V76-Q100 HydrophobicContact CG2-CG 4.13Å
77G94.4Very high92.9Very high7 Ų736.4 Ų36.47%0.07219%0.194CC..SBendtrans136.7-168.5-177.500000112Y94 R217G77-Y94 WeakPolarHBondContact CA-O 3.36Å; G77-R217 PolarHBondContact O-NH1 2.89Å; G77-R217 PolarHBondContact O-NH2 3.4Å; G77-R217 VanDerWaalsContact O-NH2 3.1Å
78A93Very high92.9Very high1 Ų137.2 Ų37.21%0.00820%0.203CC..  trans-58157.4176.200000112.4Y94 L97 G192 R217A78-Y94 HydrophobicContact CB-CD1 3.67Å; A78-Y94 HydrophobicContact CB-CE1 3.62Å; A78-Y94 HydrophobicContact CB-CG 4.45Å; A78-Y94 PolarHBondContact N-O 2.99Å; A78-L97 VanDerWaalsContact O-CD2 3.31Å; A78-L97 WeakPolarHBondContact O-CD2 3.2Å; A78-G192 VanDerWaalsContact CB-O 3.3Å; A78-G192 WeakPolarHBondContact CB-O 3.49Å; A78-R217 PolarHBondContact O-NH1 3.4Å
79I91.2Very high92.8Very high65 Ų6542.5 Ų42.533%0.33323%0.231SC..  trans-73-39.5174.1-62.6-65.4000109.3E82 G214 R217I79-E82 PolarHBondContact N-OE1 3.04Å; I79-G214 VanDerWaalsContact O-CA 3.26Å; I79-G214 WeakPolarHBondContact O-CA 3.33Å; I79-R217 HydrophobicContact CD1-CB 4.35Å
80G92.8Very high92.7Very high0 Ų043.2 Ų43.20%023%0.234CC..SBendtrans83.7152.8-175.500000112.1E82 G192 H193G80-E82 VanDerWaalsContact C-N 3.29Å; G80-E82 WeakPolarHBondContact CA-OE2 3.48Å; G80-E82 VanDerWaalsContact N-CD 3.34Å; G80-E82 PolarHBondContact N-OE1 3.49Å; G80-E82 PolarHBondContact N-OE2 3.3Å; G80-G192 VanDerWaalsContact CA-C 3.45Å; G80-G192 WeakPolarHBondContact CA-O 3.21Å; G80-H193 CarbonylContact C-O 3.58Å; G80-H193 VanDerWaalsContact CA-O 3.32Å; G80-H193 WeakPolarHBondContact CA-O 3.35Å
81G91.4Very high92.6Very high0 Ų046.4 Ų46.40%026%0.255CS..  trans79.711.3-177.700000114.1H193 L195G81-H193 PolarHBondContact N-O 3.17Å; G81-L195 WeakPolarHBondContact O-CD1 3.48Å; G81-L195 WeakPolarHBondContact O-CG 3.33Å
82E90.2Very high92.4Very high18 Ų1849 Ų498%0.08427%0.267CS..  trans-64.6155170.1-52.885.5171.400110.7I79 G80 V87 P194 L195I79-E82 PolarHBondContact N-OE1 3.04Å; G80-E82 VanDerWaalsContact C-N 3.29Å; G80-E82 WeakPolarHBondContact CA-OE2 3.48Å; G80-E82 VanDerWaalsContact N-CD 3.34Å; G80-E82 PolarHBondContact N-OE1 3.49Å; G80-E82 PolarHBondContact N-OE2 3.3Å; E82-V87 HydrophobicContact CB-CG1 3.98Å; E82-V87 HydrophobicContact CB-CG2 4.26Å; E82-V87 HydrophobicContact CG-CG1 4.08Å; E82-P194 WeakPolarHBondContact O-CA 3.36Å; E82-P194 WeakPolarHBondContact O-CB 3.36Å; E82-L195 PolarHBondContact O-N 3.16Å
83D89.2Confident92.3Very high59 Ų5953.6 Ų53.632%0.31630%0.299SS..  trans-64.5121.2163175.6-9.4000108.2M85 K86D83-M85 PolarHBondContact O-N 3.37Å; D83-M85 VanDerWaalsContact O-N 3.11Å; D83-M85 WeakPolarHBondContact OD1-CB 3.49Å; D83-M85 PolarHBondContact OD1-N 3.11Å; D83-K86 HydrophobicContact CB-CB 4.37Å; D83-K86 HydrophobicContact CB-CD 3.97Å; D83-K86 HydrophobicContact CB-CG 3.94Å; D83-K86 WeakPolarHBondContact O-CB 2.89Å; D83-K86 PolarHBondContact O-N 2.83Å
84P89.9Confident92.4Very high21 Ų2155 Ų5514%0.13629%0.292CS..G310 helixtrans-60.1-26.5-175.827.6-37.8000112.6K86 V87 P194 L195 Y396 P399P84-K86 PolarHBondContact O-N 2.81Å; P84-V87 PolarHBondContact O-N 3.42Å; P84-P194 HydrophobicContact CB-CB 3.97Å; P84-L195 WeakPolarHBondContact CD-O 3.41Å; P84-L195 WeakPolarHBondContact CG-O 3.37Å; P84-Y396 HydrophobicContact CB-CE1 3.79Å; P84-Y396 HydrophobicContact CG-CE1 3.84Å; P84-Y396 PolarHBondContact O-OH 3.33Å; P84-P399 HydrophobicContact CB-CG 3.93Å
85M87.8Confident92.3Very high115 Ų11552 Ų5257%0.56728%0.278SS*.G310 helixtrans-69-20174.9-66.8-65.3-179.900113.2D83 Y396D83-M85 PolarHBondContact O-N 3.37Å; D83-M85 VanDerWaalsContact O-N 3.11Å; D83-M85 WeakPolarHBondContact OD1-CB 3.49Å; D83-M85 PolarHBondContact OD1-N 3.11Å; M85-Y396 HydrophobicContact CE-CD1 3.47Å; M85-Y396 VanDerWaalsContact CE-CD1 3.47Å; M85-Y396 HydrophobicContact CE-CD2 3.6Å; M85-Y396 HydrophobicContact CE-CE1 3.71Å; M85-Y396 HydrophobicContact CE-CE2 3.8Å; M85-Y396 HydrophobicContact CE-CG 3.4Å; M85-Y396 VanDerWaalsContact CE-CG 3.4Å; M85-Y396 HydrophobicContact SD-CD1 4.43Å; M85-Y396 HydrophobicContact SD-CD2 4.16Å; M85-Y396 HydrophobicContact SD-CE1 4.08Å; M85-Y396 HydrophobicContact SD-CE2 3.76Å; M85-Y396 HydrophobicContact SD-CG 4.45Å
86K90.1Very high92.2Very high147 Ų14755.1 Ų55.164%0.63929%0.294SS*.G310 helixtrans-90.4-10177.7-62.1-175.4-173.7176.80113.6D83 P84 P88D83-K86 HydrophobicContact CB-CB 4.37Å; D83-K86 HydrophobicContact CB-CD 3.97Å; D83-K86 HydrophobicContact CB-CG 3.94Å; D83-K86 WeakPolarHBondContact O-CB 2.89Å; D83-K86 PolarHBondContact O-N 2.83Å; P84-K86 PolarHBondContact O-N 2.81Å; K86-P88 WeakPolarHBondContact O-CD 3.29Å
87V91.4Very high92.3Very high28 Ų2852.1 Ų52.117%0.1728%0.276CS..SBendtrans-123.748.9178.5-66.30000112.1E82 P84 N89 Q90 P194 P399E82-V87 HydrophobicContact CB-CG1 3.98Å; E82-V87 HydrophobicContact CB-CG2 4.26Å; E82-V87 HydrophobicContact CG-CG1 4.08Å; P84-V87 PolarHBondContact O-N 3.42Å; V87-N89 PolarHBondContact O-N 3.49Å; V87-Q90 HydrophobicContact CB-CB 4.24Å; V87-Q90 HydrophobicContact CG2-CB 4.5Å; V87-Q90 VanDerWaalsContact O-CB 3.3Å; V87-Q90 WeakPolarHBondContact O-CB 3.07Å; V87-Q90 PolarHBondContact O-N 3.36Å; V87-Q90 VanDerWaalsContact O-N 3.14Å; V87-P194 HydrophobicContact CG2-CB 4.23Å; V87-P194 HydrophobicContact CG2-CG 3.6Å; V87-P399 HydrophobicContact CG2-CB 4.4Å; V87-P399 HydrophobicContact CG2-CG 3.93Å; V87-P399 WeakPolarHBondContact O-CB 3.48Å
88P91.9Very high92.3Very high73 Ų7356.1 Ų56.147%0.47430%0.296SS..THydrogen-bonded Turntrans-58.1139.2-17427.8-36000111.5K86 Q90 I402K86-P88 WeakPolarHBondContact O-CD 3.29Å; P88-Q90 PolarHBondContact O-N 3.39Å; P88-I402 HydrophobicContact CB-CD1 3.66Å
89N93.5Very high92.5Very high111 Ų11157 Ų5759%0.59430%0.3SS*.THydrogen-bonded Turntrans59.617.4-177.9-58-51.9000115.5V87 P91 P399 I402V87-N89 PolarHBondContact O-N 3.49Å; N89-P91 WeakPolarHBondContact O-CD 3.34Å; N89-P91 VanDerWaalsContact O-N 3.15Å; N89-P399 WeakPolarHBondContact CA-O 3.4Å; N89-P399 PolarHBondContact N-O 2.89Å; N89-I402 HydrophobicContact CB-CD1 4.49Å; N89-I402 VanDerWaalsContact ND2-CD1 3.33Å; N89-I402 WeakPolarHBondContact ND2-CD1 3.31Å; N89-I402 WeakPolarHBondContact OD1-CD1 3.47Å
90Q93.5Very high92.8Very high19 Ų1958 Ų589%0.08930%0.303CS..  trans-52.7123.2172.3-178.4167.4-91.900110.1V87 P88 Y94 E95 P399 R400V87-Q90 HydrophobicContact CB-CB 4.24Å; V87-Q90 HydrophobicContact CG2-CB 4.5Å; V87-Q90 VanDerWaalsContact O-CB 3.3Å; V87-Q90 WeakPolarHBondContact O-CB 3.07Å; V87-Q90 PolarHBondContact O-N 3.36Å; V87-Q90 VanDerWaalsContact O-N 3.14Å; P88-Q90 PolarHBondContact O-N 3.39Å; Q90-Y94 HydrophobicContact CG-CD1 4Å; Q90-E95 HydrophobicContact CG-CG 4.06Å; Q90-E95 PolarHBondContact NE2-OE1 2.85Å; Q90-P399 HydrophobicContact CB-CB 4.35Å; Q90-R400 VanDerWaalsContact O-CD 3.31Å; Q90-R400 WeakPolarHBondContact O-CD 3.38Å; Q90-R400 WeakPolarHBondContact O-CG 3.23Å; Q90-R400 PolarHBondContact O-NH1 3.34Å
91P94Very high93Very high67 Ų6764.8 Ų64.844%0.43533%0.329SS..  trans-71.6143.6-178.628.4-33.4000110.3N89 S93 Y94N89-P91 WeakPolarHBondContact O-CD 3.34Å; N89-P91 VanDerWaalsContact O-N 3.15Å; P91-S93 PolarHBondContact O-N 3.28Å; P91-Y94 WeakPolarHBondContact O-CB 3.45Å; P91-Y94 PolarHBondContact O-N 3.05Å
92E91.6Very high93.2Very high71 Ų7164.8 Ų64.833%0.33233%0.329SS..Hα-helixtrans-60.1-31.7178.7-174.2162.3-135.200112.4Y94 E95 L96 R400E92-Y94 PolarHBondContact O-N 2.97Å; E92-E95 WeakPolarHBondContact O-CB 3.26Å; E92-E95 PolarHBondContact O-N 3.13Å; E92-L96 HydrophobicContact CG-CD1 4.17Å; E92-L96 HydrophobicContact CG-CG 4.27Å; E92-L96 PolarHBondContact O-N 3.49Å; E92-R400 IonicContact OE1-NH2 3.78Å
93S92.9Very high93.6Very high98 Ų9863.9 Ų63.969%0.68533%0.325SS*.Hα-helixtrans-62.7-20.817555.70000114.1P91P91-S93 PolarHBondContact O-N 3.28Å
94Y94.1Very high94Very high117 Ų11761.1 Ų61.146%0.45931%0.311SS..Hα-helixtrans-86.7-23.1173.8-171.9-119.4000112.3G77 A78 Q90 P91 E92G77-Y94 WeakPolarHBondContact CA-O 3.36Å; A78-Y94 HydrophobicContact CB-CD1 3.67Å; A78-Y94 HydrophobicContact CB-CE1 3.62Å; A78-Y94 HydrophobicContact CB-CG 4.45Å; A78-Y94 PolarHBondContact N-O 2.99Å; Q90-Y94 HydrophobicContact CG-CD1 4Å; P91-Y94 WeakPolarHBondContact O-CB 3.45Å; P91-Y94 PolarHBondContact O-N 3.05Å; E92-Y94 PolarHBondContact O-N 2.97Å
95E94.4Very high94.2Very high0 Ų061.3 Ų61.30%031%0.309CS..Hα-helixtrans-83.9-32.2176.3-61.4172.2-17900111.9Q90 E92 L97 G192 H193 P194 R400Q90-E95 HydrophobicContact CG-CG 4.06Å; Q90-E95 PolarHBondContact NE2-OE1 2.85Å; E92-E95 WeakPolarHBondContact O-CB 3.26Å; E92-E95 PolarHBondContact O-N 3.13Å; E95-L97 PolarHBondContact O-N 3.41Å; E95-L97 VanDerWaalsContact O-N 3.15Å; E95-G192 WeakPolarHBondContact O-CA 3.26Å; E95-G192 PolarHBondContact O-N 3.37Å; E95-H193 VanDerWaalsContact CB-ND1 3.3Å; E95-H193 WeakPolarHBondContact CB-ND1 3.11Å; E95-H193 IonicContact OE2-CE1 2.86Å; E95-H193 IonicContact OE2-CG 3.29Å; E95-H193 IonicContact OE2-ND1 3.67Å; E95-H193 PolarHBondContact OE2-ND1 3.19Å; E95-P194 VanDerWaalsContact OE1-CD 3.3Å; E95-P194 WeakPolarHBondContact OE1-CD 3.45Å; E95-R400 IonicContact OE1-CZ 2.79Å; E95-R400 IonicContact OE1-NH1 2.75Å; E95-R400 PolarHBondContact OE1-NH1 3.28Å; E95-R400 IonicContact OE1-NH2 3.57Å; E95-R400 IonicContact OE2-CZ 3.88Å; E95-R400 IonicContact OE2-NH1 3.81Å; E95-R400 PolarHBondContact OE2-NH1 2.91Å; E95-R400 IonicContact OE2-NH2 3.96Å; E95-R400 PolarHBondContact OE2-NH2 2.89Å
96L94.7Very high94.5Very high71 Ų7156 Ų5637%0.37228%0.283SS..SBendtrans-78.396.9171.7-66.1177.7000109.7E92E92-L96 HydrophobicContact CG-CD1 4.17Å; E92-L96 HydrophobicContact CG-CG 4.27Å; E92-L96 PolarHBondContact O-N 3.49Å
97L95.7Very high94.5Very high7 Ų750 Ų504%0.03726%0.263CS..  trans-63.7145.8-171-55177.5000112.8V75 A78 E95 F99 I213V75-L97 HydrophobicContact CG1-CB 4.1Å; V75-L97 HydrophobicContact CG1-CD1 3.7Å; V75-L97 HydrophobicContact CG1-CD2 4.38Å; V75-L97 HydrophobicContact CG1-CG 4.27Å; A78-L97 VanDerWaalsContact O-CD2 3.31Å; A78-L97 WeakPolarHBondContact O-CD2 3.2Å; E95-L97 PolarHBondContact O-N 3.41Å; E95-L97 VanDerWaalsContact O-N 3.15Å; L97-F99 HydrophobicContact CB-CE1 4.38Å; L97-F99 HydrophobicContact CB-CE2 4.05Å; L97-F99 HydrophobicContact CB-CZ 3.8Å; L97-F99 HydrophobicContact CD1-CZ 4.28Å; L97-I213 HydrophobicContact CD1-CG2 3.45Å; L97-I213 VanDerWaalsContact CD1-CG2 3.45Å
98N95.4Very high94.2Very high91 Ų9152.7 Ų52.749%0.48728%0.279SS..EExtended strand (participates in β ladder)trans-99.1127.1169.2-177.850.2000109.9V76V76-N98 HydrophobicContact CB-CB 4.34Å; V76-N98 PolarHBondContact N-O 2.97Å; V76-N98 PolarHBondContact O-N 3.13Å
99F96.9Very high93.9Very high20 Ų2057.2 Ų57.29%0.08829%0.292CS..EExtended strand (participates in β ladder)trans-103.4107.4-179.7-59.4-79.7000108.9V75 L97 F103 F127 A190V75-F99 HydrophobicContact CG1-CE1 4.22Å; V75-F99 HydrophobicContact CG2-CD1 4Å; V75-F99 HydrophobicContact CG2-CE1 4.02Å; L97-F99 HydrophobicContact CB-CE1 4.38Å; L97-F99 HydrophobicContact CB-CE2 4.05Å; L97-F99 HydrophobicContact CB-CZ 3.8Å; L97-F99 HydrophobicContact CD1-CZ 4.28Å; F99-F103 HydrophobicContact CB-CB 4.23Å; F99-F103 HydrophobicContact CB-CD1 3.97Å; F99-F103 HydrophobicContact CB-CG 4.13Å; F99-F103 AromaticContact CD1-CD1 3.53Å; F99-F103 HydrophobicContact CD1-CD1 3.53Å; F99-F103 AromaticContact CD1-CD2 3.9Å; F99-F103 HydrophobicContact CD1-CD2 3.9Å; F99-F103 AromaticContact CD1-CE1 3.49Å; F99-F103 HydrophobicContact CD1-CE1 3.49Å; F99-F103 VanDerWaalsContact CD1-CE1 3.49Å; F99-F103 AromaticContact CD1-CE2 3.83Å; F99-F103 HydrophobicContact CD1-CE2 3.83Å; F99-F103 AromaticContact CD1-CG 3.77Å; F99-F103 HydrophobicContact CD1-CG 3.77Å; F99-F103 AromaticContact CD1-CZ 3.64Å; F99-F103 HydrophobicContact CD1-CZ 3.64Å; F99-F103 HydrophobicContact CE1-CD1 4.39Å; F99-F103 AromaticContact CE1-CE1 3.9Å; F99-F103 HydrophobicContact CE1-CE1 3.9Å; F99-F103 HydrophobicContact CE1-CE2 4.1Å; F99-F103 AromaticContact CE1-CZ 3.73Å; F99-F103 HydrophobicContact CE1-CZ 3.73Å; F99-F103 HydrophobicContact CG-CD1 4.01Å; F99-F103 HydrophobicContact CG-CE1 4.23Å; F99-F103 HydrophobicContact CG-CG 4.38Å; F99-F127 HydrophobicContact CD1-CD1 4.48Å; F99-F127 AromaticContact CD1-CE1 3.91Å; F99-F127 HydrophobicContact CD1-CE1 3.91Å; F99-F127 HydrophobicContact CD2-CD1 4.09Å; F99-F127 AromaticContact CD2-CE1 3.56Å; F99-F127 HydrophobicContact CD2-CE1 3.56Å; F99-F127 HydrophobicContact CD2-CZ 4.21Å; F99-F127 AromaticContact CE1-CE1 3.77Å; F99-F127 HydrophobicContact CE1-CE1 3.77Å; F99-F127 HydrophobicContact CE1-CZ 4.49Å; F99-F127 HydrophobicContact CE2-CD1 4.36Å; F99-F127 AromaticContact CE2-CE1 3.41Å; F99-F127 HydrophobicContact CE2-CE1 3.41Å; F99-F127 VanDerWaalsContact CE2-CE1 3.41Å; F99-F127 AromaticContact CE2-CZ 3.68Å; F99-F127 HydrophobicContact CE2-CZ 3.68Å; F99-F127 HydrophobicContact CG-CD1 4.16Å; F99-F127 AromaticContact CG-CE1 3.82Å; F99-F127 HydrophobicContact CG-CE1 3.82Å; F99-F127 AromaticContact CZ-CE1 3.53Å; F99-F127 HydrophobicContact CZ-CE1 3.53Å; F99-F127 AromaticContact CZ-CZ 3.85Å; F99-F127 HydrophobicContact CZ-CZ 3.85Å; F99-A190 HydrophobicContact CZ-CB 3.92Å; F99-A190 WeakPolarHBondContact CZ-O 3.3Å
100Q97.4Very high93.5Very high85 Ų8553 Ų5340%0.39727%0.27SS..  trans-71.3155.9-179.9-62.4179.3-31.200111K74 V76 G102 F103K74-Q100 HydrophobicContact CB-CB 4.18Å; K74-Q100 HydrophobicContact CD-CB 4.43Å; K74-Q100 WeakPolarHBondContact O-CB 3.42Å; K74-Q100 PolarHBondContact O-N 3.36Å; V76-Q100 HydrophobicContact CG2-CG 4.13Å; Q100-G102 PolarHBondContact O-N 3.35Å; Q100-F103 VanDerWaalsContact O-CB 3.24Å; Q100-F103 WeakPolarHBondContact O-CB 3.38Å; Q100-F103 PolarHBondContact O-N 2.92Å
101Y97.4Very high92.9Very high142 Ų14258 Ų5856%0.55730%0.297SS*.THydrogen-bonded Turntrans-51.3133.1170.1-177.8-96.6000111.1L131 E132Y101-L131 WeakPolarHBondContact CE2-O 3.42Å; Y101-E132 HydrophobicContact CE1-CB 3.85Å; Y101-E132 HydrophobicContact CE1-CG 3.77Å; Y101-E132 HydrophobicContact CE2-CB 4.23Å
102G96.3Very high92.4Very high0 Ų056 Ų560%028%0.283CS..THydrogen-bonded Turntrans89.52.4-171.600000114.4Q100 K105 S130 E132Q100-G102 PolarHBondContact O-N 3.35Å; G102-K105 WeakPolarHBondContact O-CE 3.37Å; G102-K105 WeakPolarHBondContact O-CG 3.27Å; G102-S130 PolarHBondContact N-O 2.91Å; G102-E132 WeakPolarHBondContact CA-OE2 3.45Å
103F97.4Very high91.9Very high0 Ų059.2 Ų59.20%030%0.296CS..SBendtrans-62.4-45.7173.1169.5-110.9000111.5I70 D71 K74 V75 F99 Q100 F127 S130 L152 I213I70-F103 CarbonylContact C-O 3.57Å; I70-F103 VanDerWaalsContact CA-O 3.32Å; I70-F103 WeakPolarHBondContact CA-O 3.47Å; I70-F103 HydrophobicContact CG2-CD2 4.06Å; I70-F103 HydrophobicContact CG2-CE1 4.48Å; I70-F103 HydrophobicContact CG2-CE2 3.35Å; I70-F103 HydrophobicContact CG2-CZ 3.6Å; D71-F103 PolarHBondContact N-O 3.06Å; D71-F103 WeakPolarHBondContact O-CD2 3.4Å; K74-F103 HydrophobicContact CB-CB 3.85Å; K74-F103 HydrophobicContact CB-CD2 4.43Å; V75-F103 HydrophobicContact CG2-CD2 3.57Å; V75-F103 HydrophobicContact CG2-CE2 3.37Å; V75-F103 HydrophobicContact CG2-CZ 4.36Å; F99-F103 HydrophobicContact CB-CB 4.23Å; F99-F103 HydrophobicContact CB-CD1 3.97Å; F99-F103 HydrophobicContact CB-CG 4.13Å; F99-F103 AromaticContact CD1-CD1 3.53Å; F99-F103 HydrophobicContact CD1-CD1 3.53Å; F99-F103 AromaticContact CD1-CD2 3.9Å; F99-F103 HydrophobicContact CD1-CD2 3.9Å; F99-F103 AromaticContact CD1-CE1 3.49Å; F99-F103 HydrophobicContact CD1-CE1 3.49Å; F99-F103 VanDerWaalsContact CD1-CE1 3.49Å; F99-F103 AromaticContact CD1-CE2 3.83Å; F99-F103 HydrophobicContact CD1-CE2 3.83Å; F99-F103 AromaticContact CD1-CG 3.77Å; F99-F103 HydrophobicContact CD1-CG 3.77Å; F99-F103 AromaticContact CD1-CZ 3.64Å; F99-F103 HydrophobicContact CD1-CZ 3.64Å; F99-F103 HydrophobicContact CE1-CD1 4.39Å; F99-F103 AromaticContact CE1-CE1 3.9Å; F99-F103 HydrophobicContact CE1-CE1 3.9Å; F99-F103 HydrophobicContact CE1-CE2 4.1Å; F99-F103 AromaticContact CE1-CZ 3.73Å; F99-F103 HydrophobicContact CE1-CZ 3.73Å; F99-F103 HydrophobicContact CG-CD1 4.01Å; F99-F103 HydrophobicContact CG-CE1 4.23Å; F99-F103 HydrophobicContact CG-CG 4.38Å; Q100-F103 VanDerWaalsContact O-CB 3.24Å; Q100-F103 WeakPolarHBondContact O-CB 3.38Å; Q100-F103 PolarHBondContact O-N 2.92Å; F103-F127 HydrophobicContact CD1-CD1 4.2Å; F103-F127 HydrophobicContact CD1-CE1 4.49Å; F103-F127 AromaticContact CE1-CD1 3.84Å; F103-F127 HydrophobicContact CE1-CD1 3.84Å; F103-F127 AromaticContact CE1-CE1 3.83Å; F103-F127 HydrophobicContact CE1-CE1 3.83Å; F103-S130 PolarHBondContact N-O 3.24Å; F103-L152 HydrophobicContact CE1-CD2 4.19Å; F103-I213 HydrophobicContact CE2-CD1 4.03Å; F103-I213 HydrophobicContact CE2-CG1 4.15Å; F103-I213 HydrophobicContact CZ-CD1 4.19Å; F103-I213 HydrophobicContact CZ-CG1 4.32Å
104I96.9Very high91.4Very high1 Ų160.1 Ų60.11%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-103.9130.2168.4-60.5174.8000107.3L65 V68 F127 L131 E132 L246 I248L65-I104 HydrophobicContact CD1-CD1 4.4Å; L65-I104 HydrophobicContact CD1-CG2 4.06Å; V68-I104 HydrophobicContact CB-CG2 4.26Å; V68-I104 HydrophobicContact CG1-CG2 4.36Å; I104-F127 HydrophobicContact CD1-CB 4.12Å; I104-F127 HydrophobicContact CD1-CD1 4.45Å; I104-L131 HydrophobicContact CG2-CD1 4.07Å; I104-L131 HydrophobicContact CG2-CG 4.4Å; I104-L131 CarbonylContact O-C 3.52Å; I104-L131 VanDerWaalsContact O-CA 3.25Å; I104-L131 WeakPolarHBondContact O-CA 3.31Å; I104-E132 PolarHBondContact O-N 3.4Å; I104-L246 HydrophobicContact CD1-CD2 4.16Å; I104-I248 HydrophobicContact CD1-CD1 4.36Å
105K95.6Very high90.9Very high25 Ų2562.1 Ų62.111%0.10930%0.301CS..EExtended strand (participates in β ladder)trans-122144.8173.8-43.8169.8-178.1166.90109.8V68 C69 D71 G102 E132 L134 W139V68-K105 CarbonylContact C-O 3.49Å; V68-K105 VanDerWaalsContact CA-O 3.3Å; V68-K105 WeakPolarHBondContact CA-O 3.39Å; V68-K105 WeakPolarHBondContact CB-O 3.41Å; C69-K105 PolarHBondContact N-O 3.42Å; C69-K105 PolarHBondContact O-N 2.95Å; C69-K105 VanDerWaalsContact SG-CB 3.59Å; D71-K105 IonicContact OD2-NZ 2.79Å; D71-K105 PolarHBondContact OD2-NZ 3.43Å; G102-K105 WeakPolarHBondContact O-CE 3.37Å; G102-K105 WeakPolarHBondContact O-CG 3.27Å; K105-E132 CarbonylContact C-O 3.58Å; K105-E132 VanDerWaalsContact CA-O 3.25Å; K105-E132 WeakPolarHBondContact CA-O 3.16Å; K105-E132 HydrophobicContact CG-CB 4.35Å; K105-L134 HydrophobicContact CB-CD1 4.17Å; K105-L134 HydrophobicContact CD-CD1 3.88Å; K105-L134 HydrophobicContact CG-CD1 4.4Å; K105-W139 VanDerWaalsContact C-CH2 3.48Å; K105-W139 HydrophobicContact CB-CH2 3.97Å; K105-W139 WeakPolarHBondContact O-CH2 3.06Å
106T94Very high90.4Very high4 Ų466.6 Ų66.63%0.02532%0.322CS..EExtended strand (participates in β ladder)trans-146.7156.7179.4-177.90000111.3V108 L131 E132 V133 L134 W139T106-V108 VanDerWaalsContact C-N 3.33Å; T106-V108 WeakPolarHBondContact CG2-O 3.43Å; T106-V108 PolarHBondContact OG1-N 2.84Å; T106-V108 PolarHBondContact OG1-O 2.88Å; T106-L131 HydrophobicContact CG2-CD1 3.93Å; T106-L131 HydrophobicContact CG2-CD2 3.68Å; T106-L131 HydrophobicContact CG2-CG 3.97Å; T106-E132 PolarHBondContact N-O 3.43Å; T106-V133 HydrophobicContact CG2-CG2 4.23Å; T106-V133 CarbonylContact O-C 3.57Å; T106-V133 VanDerWaalsContact O-CA 3.29Å; T106-V133 WeakPolarHBondContact O-CA 3.34Å; T106-L134 PolarHBondContact O-N 2.74Å; T106-W139 WeakPolarHBondContact O-CZ2 3.25Å
107G89.9Confident89.9Confident21 Ų2163.9 Ų63.922%0.21631%0.308CS..SBendtrans-84.9-6.4173.900000114.3W139G107-W139 VanDerWaalsContact CA-CD1 3.44Å; G107-W139 VanDerWaalsContact CA-CE2 3.42Å; G107-W139 VanDerWaalsContact N-CZ2 3.35Å
108V85.1Confident89.3Confident84 Ų8466.6 Ų66.651%0.50932%0.32SS..SBendtrans-138.2126.5-174.3-177.40000109.6S52 T106 P110S52-V108 VanDerWaalsContact CB-CB 3.46Å; S52-V108 WeakPolarHBondContact OG-CB 3.37Å; S52-V108 WeakPolarHBondContact OG-CG1 3.43Å; S52-V108 PolarHBondContact OG-O 2.94Å; T106-V108 VanDerWaalsContact C-N 3.33Å; T106-V108 WeakPolarHBondContact CG2-O 3.43Å; T106-V108 PolarHBondContact OG1-N 2.84Å; T106-V108 PolarHBondContact OG1-O 2.88Å; V108-P110 WeakPolarHBondContact O-CD 3.35Å
109K85.4Confident88.8Confident168 Ų16867.2 Ų67.273%0.7333%0.332SS*.  trans-57.7125.2177.7-172.6174.1-178.41750111.3V133K109-V133 HydrophobicContact CB-CG2 4.14Å; K109-V133 HydrophobicContact CG-CG2 4.45Å
110P84.3Confident88.2Confident23 Ų2369.3 Ų69.315%0.14934%0.339CS..  trans-58.7142.1174.4-2432000112.5T53 V108 I112 L131T53-P110 HydrophobicContact CG2-CB 4.12Å; T53-P110 WeakPolarHBondContact OG1-CA 3.37Å; T53-P110 WeakPolarHBondContact OG1-CB 3.06Å; V108-P110 WeakPolarHBondContact O-CD 3.35Å; P110-I112 VanDerWaalsContact C-N 3.3Å; P110-I112 PolarHBondContact O-N 3.03Å; P110-L131 HydrophobicContact CG-CD1 3.4Å; P110-L131 HydrophobicContact CG-CD2 3.76Å; P110-L131 HydrophobicContact CG-CG 4.21Å
111N82.7Confident87.5Confident122 Ų12265.2 Ų65.265%0.65232%0.32SS*.  trans-94.742.5174.2-167.726.9000112.1
112I82.9Confident87.2Confident26 Ų2660.9 Ų60.913%0.13331%0.309CS..  trans-117.2124.3175.2-62178.2000108.4T53 L55 V63 P110 L117 L128T53-I112 HydrophobicContact CG2-CD1 3.3Å; T53-I112 HydrophobicContact CG2-CG1 3.65Å; L55-I112 HydrophobicContact CB-CD1 4.21Å; L55-I112 HydrophobicContact CB-CG1 4.43Å; L55-I112 HydrophobicContact CD1-CD1 4.28Å; V63-I112 HydrophobicContact CB-CD1 4.14Å; V63-I112 HydrophobicContact CG1-CD1 3.54Å; V63-I112 HydrophobicContact CG2-CD1 3.63Å; P110-I112 VanDerWaalsContact C-N 3.3Å; P110-I112 PolarHBondContact O-N 3.03Å; I112-L117 HydrophobicContact CG2-CD1 4.37Å; I112-L117 HydrophobicContact CG2-CD2 4.27Å; I112-L117 HydrophobicContact CG2-CG 4.24Å; I112-L128 HydrophobicContact CG2-CD1 4.05Å
113K81.6Confident87.1Confident139 Ų13961.2 Ų61.260%0.60431%0.31SS*.  trans-97146171.5-50.7-176.5178.2177.10109.9E115 Q116K113-E115 WeakPolarHBondContact CB-OE2 3.28Å; K113-E115 PolarHBondContact O-N 2.96Å; K113-E115 VanDerWaalsContact O-N 3.15Å; K113-Q116 HydrophobicContact CB-CG 4.42Å; K113-Q116 WeakPolarHBondContact O-CB 3.26Å; K113-Q116 PolarHBondContact O-N 3.06Å
114K81.9Confident86.9Confident117 Ų11761.2 Ų61.251%0.50931%0.31SS..G310 helixtrans-58.3-31-176.5-174.2169.7-177.4160.80112.5Q116 L117 I125 E129K114-Q116 PolarHBondContact O-N 2.88Å; K114-L117 PolarHBondContact O-N 2.63Å; K114-L117 VanDerWaalsContact O-N 3.11Å; K114-I125 HydrophobicContact CD-CG2 4.46Å; K114-E129 IonicContact NZ-OE1 2.78Å; K114-E129 PolarHBondContact NZ-OE1 3.19Å
115E83.3Confident86.6Confident159 Ų15962.2 Ų62.274%0.74332%0.315SS*.G310 helixtrans-70.2-15.7179.8-5275.1-159.600113.1K113 L117K113-E115 WeakPolarHBondContact CB-OE2 3.28Å; K113-E115 PolarHBondContact O-N 2.96Å; K113-E115 VanDerWaalsContact O-N 3.15Å; E115-L117 VanDerWaalsContact C-N 3.33Å
116Q83.2Confident86.5Confident93 Ų9365.8 Ų65.844%0.43533%0.331SS..G310 helixtrans-79.8-20.2173.2-60176.6-90.400112.1L55 N61 K113 K114L55-Q116 HydrophobicContact CD2-CB 4.06Å; N61-Q116 PolarHBondContact ND2-O 3.16Å; K113-Q116 HydrophobicContact CB-CG 4.42Å; K113-Q116 WeakPolarHBondContact O-CB 3.26Å; K113-Q116 PolarHBondContact O-N 3.06Å; K114-Q116 PolarHBondContact O-N 2.88Å
117L84.5Confident86.6Confident15 Ų1565.7 Ų65.78%0.07933%0.33CS..SBendtrans-90.5150.1-179.5-58.4177.6000110.8L55 N61 I112 K114 E115 V124 I125 L128L55-L117 HydrophobicContact CD1-CD2 3.93Å; N61-L117 HydrophobicContact CB-CD2 3.65Å; I112-L117 HydrophobicContact CG2-CD1 4.37Å; I112-L117 HydrophobicContact CG2-CD2 4.27Å; I112-L117 HydrophobicContact CG2-CG 4.24Å; K114-L117 PolarHBondContact O-N 2.63Å; K114-L117 VanDerWaalsContact O-N 3.11Å; E115-L117 VanDerWaalsContact C-N 3.33Å; L117-V124 HydrophobicContact CD1-CG1 4.09Å; L117-V124 HydrophobicContact CD2-CG1 4.37Å; L117-I125 HydrophobicContact CB-CG1 4.41Å; L117-I125 HydrophobicContact CD1-CG1 3.89Å; L117-L128 HydrophobicContact CD1-CD1 3.54Å
118H83.6Confident86.7Confident64 Ų6466.4 Ų66.430%0.29633%0.329SS..  trans-77140.4172.8-62.7-60.4000110.2N61 Y120 E121N61-H118 PolarHBondContact ND2-CD2 3.12Å; H118-Y120 HydrophobicContact CB-CD1 3.83Å; H118-Y120 HydrophobicContact CB-CD2 4.08Å; H118-Y120 HydrophobicContact CB-CE1 3.38Å; H118-Y120 HydrophobicContact CB-CE2 3.65Å; H118-Y120 HydrophobicContact CB-CG 4.16Å; H118-Y120 AromaticContact CD2-CZ 3.66Å; H118-Y120 PolarHBondContact CD2-OH 3.33Å; H118-Y120 AromaticContact CG-CE1 3.77Å; H118-Y120 AromaticContact CG-CZ 3.45Å; H118-Y120 VanDerWaalsContact CG-CZ 3.45Å; H118-Y120 VanDerWaalsContact CG-OH 3.27Å; H118-Y120 PolarHBondContact O-N 2.97Å; H118-E121 HydrophobicContact CB-CG 4.08Å; H118-E121 IonicContact CD2-OE1 3.6Å; H118-E121 IonicContact CD2-OE2 3.89Å; H118-E121 PolarHBondContact N-OE2 3.43Å; H118-E121 WeakPolarHBondContact O-CB 3.15Å; H118-E121 PolarHBondContact O-N 3.49Å
119S83.8Confident87.1Confident104 Ų10467.6 Ų67.673%0.72733%0.329SS*.THydrogen-bonded Turntrans-58-25.4-177.657.70000114E121S119-E121 VanDerWaalsContact C-N 3.35Å
120Y84.2Confident87.6Confident63 Ų6359.7 Ų59.725%0.24730%0.295CS..THydrogen-bonded Turntrans-80.4-11.3178.553.3-102.7000113.7G59 H118 T122 Y251 A254G59-Y120 PolarHBondContact O-OH 3.46Å; H118-Y120 HydrophobicContact CB-CD1 3.83Å; H118-Y120 HydrophobicContact CB-CD2 4.08Å; H118-Y120 HydrophobicContact CB-CE1 3.38Å; H118-Y120 HydrophobicContact CB-CE2 3.65Å; H118-Y120 HydrophobicContact CB-CG 4.16Å; H118-Y120 AromaticContact CD2-CZ 3.66Å; H118-Y120 PolarHBondContact CD2-OH 3.33Å; H118-Y120 AromaticContact CG-CE1 3.77Å; H118-Y120 AromaticContact CG-CZ 3.45Å; H118-Y120 VanDerWaalsContact CG-CZ 3.45Å; H118-Y120 VanDerWaalsContact CG-OH 3.27Å; H118-Y120 PolarHBondContact O-N 2.97Å; Y120-T122 PolarHBondContact O-N 2.88Å; Y120-Y251 WeakPolarHBondContact O-CE1 3.49Å; Y120-Y251 PolarHBondContact O-OH 3.39Å; Y120-A254 HydrophobicContact CD2-CB 3.75Å; Y120-A254 HydrophobicContact CE2-CB 3.87Å
121E84.4Confident88.2Confident0 Ų059.5 Ų59.50%029%0.293CS..  trans-82.949.4178.6-63.6167.9151.900111.3V60 N61 H118 S119 N123 V124 I125 P250 A254V60-E121 WeakPolarHBondContact CA-OE1 3.34Å; N61-E121 WeakPolarHBondContact CB-OE1 3.39Å; N61-E121 WeakPolarHBondContact CB-OE2 3.44Å; N61-E121 PolarHBondContact N-OE1 3.32Å; N61-E121 PolarHBondContact ND2-OE1 3Å; N61-E121 PolarHBondContact ND2-OE2 2.88Å; H118-E121 HydrophobicContact CB-CG 4.08Å; H118-E121 IonicContact CD2-OE1 3.6Å; H118-E121 IonicContact CD2-OE2 3.89Å; H118-E121 PolarHBondContact N-OE2 3.43Å; H118-E121 WeakPolarHBondContact O-CB 3.15Å; H118-E121 PolarHBondContact O-N 3.49Å; S119-E121 VanDerWaalsContact C-N 3.35Å; E121-N123 PolarHBondContact O-N 3.49Å; E121-N123 VanDerWaalsContact O-N 3.16Å; E121-V124 HydrophobicContact CB-CB 4.27Å; E121-V124 HydrophobicContact CB-CG2 4.19Å; E121-V124 PolarHBondContact O-N 3.31Å; E121-I125 PolarHBondContact O-N 2.95Å; E121-I125 VanDerWaalsContact O-N 3.11Å; E121-P250 HydrophobicContact CG-CB 4.43Å; E121-A254 HydrophobicContact CG-CB 3.9Å
122T89.7Confident88.8Confident51 Ų5156.1 Ų56.131%0.31327%0.273SS..Hα-helixtrans-61.1-31.8-168.1680000112.9Y120 K126 Y251Y120-T122 PolarHBondContact O-N 2.88Å; T122-K126 WeakPolarHBondContact O-CB 3.38Å; T122-K126 VanDerWaalsContact O-CG 3.27Å; T122-K126 WeakPolarHBondContact O-CG 3.43Å; T122-K126 PolarHBondContact O-N 3.45Å; T122-Y251 VanDerWaalsContact OG1-CE2 3.32Å; T122-Y251 WeakPolarHBondContact OG1-CE2 3.09Å; T122-Y251 VanDerWaalsContact OG1-CZ 3.23Å; T122-Y251 PolarHBondContact OG1-OH 2.82Å
123N93.8Very high89.3Confident7 Ų757.3 Ų57.34%0.03728%0.281CS..Hα-helixtrans-69-41.617774.5-55.1000111.8E121 I125 K126 F127 V249 Y251E121-N123 PolarHBondContact O-N 3.49Å; E121-N123 VanDerWaalsContact O-N 3.16Å; N123-I125 VanDerWaalsContact C-N 3.34Å; N123-I125 PolarHBondContact O-N 3.13Å; N123-K126 PolarHBondContact O-N 3.21Å; N123-F127 HydrophobicContact CB-CE2 4.39Å; N123-F127 WeakPolarHBondContact O-CD2 3.15Å; N123-F127 PolarHBondContact O-N 3.15Å; N123-V249 PolarHBondContact ND2-O 3.27Å; N123-Y251 HydrophobicContact CB-CD2 4.05Å; N123-Y251 HydrophobicContact CB-CG 4.22Å; N123-Y251 PolarHBondContact ND2-N 3.14Å; N123-Y251 WeakPolarHBondContact OD1-CD1 3.47Å; N123-Y251 PolarHBondContact OD1-N 3.31Å; N123-Y251 VanDerWaalsContact OD1-N 3.1Å
124V93.2Very high89.8Confident0 Ų052.5 Ų52.50%026%0.262CS..Hα-helixtrans-61.1-46.2175.7-176.20000110.3V63 L117 E121 K126 F127 L128 I248 P250V63-V124 HydrophobicContact CG2-CG1 3.63Å; L117-V124 HydrophobicContact CD1-CG1 4.09Å; L117-V124 HydrophobicContact CD2-CG1 4.37Å; E121-V124 HydrophobicContact CB-CB 4.27Å; E121-V124 HydrophobicContact CB-CG2 4.19Å; E121-V124 PolarHBondContact O-N 3.31Å; V124-K126 PolarHBondContact O-N 3.45Å; V124-F127 PolarHBondContact O-N 2.94Å; V124-L128 HydrophobicContact CG1-CD1 4.27Å; V124-L128 WeakPolarHBondContact O-CG 3.29Å; V124-L128 PolarHBondContact O-N 2.86Å; V124-I248 HydrophobicContact CB-CG2 4.38Å; V124-I248 HydrophobicContact CG1-CG2 4.34Å; V124-I248 HydrophobicContact CG2-CG2 4.09Å; V124-P250 HydrophobicContact CG2-CB 3.84Å
125I92Very high89.8Confident21 Ų2154 Ų5411%0.10828%0.275CS..Hα-helixtrans-58.7-48.2177-65.4169.2000110.6K114 L117 E121 N123 F127 L128 E129K114-I125 HydrophobicContact CD-CG2 4.46Å; L117-I125 HydrophobicContact CB-CG1 4.41Å; L117-I125 HydrophobicContact CD1-CG1 3.89Å; E121-I125 PolarHBondContact O-N 2.95Å; E121-I125 VanDerWaalsContact O-N 3.11Å; N123-I125 VanDerWaalsContact C-N 3.34Å; N123-I125 PolarHBondContact O-N 3.13Å; I125-F127 VanDerWaalsContact C-N 3.34Å; I125-F127 PolarHBondContact O-N 3.34Å; I125-L128 PolarHBondContact O-N 3.23Å; I125-E129 HydrophobicContact CG2-CG 4.24Å; I125-E129 WeakPolarHBondContact CG2-OE1 3.18Å; I125-E129 WeakPolarHBondContact O-CB 3.46Å; I125-E129 WeakPolarHBondContact O-CG 3.48Å; I125-E129 PolarHBondContact O-N 3.47Å
126K93.5Very high89.7Confident101 Ų10151.8 Ų51.844%0.43928%0.278SS..Hα-helixtrans-59.8-41.5178.3-76.4174.6178.9-176.40112.7T122 N123 V124 E129 S130T122-K126 WeakPolarHBondContact O-CB 3.38Å; T122-K126 VanDerWaalsContact O-CG 3.27Å; T122-K126 WeakPolarHBondContact O-CG 3.43Å; T122-K126 PolarHBondContact O-N 3.45Å; N123-K126 PolarHBondContact O-N 3.21Å; V124-K126 PolarHBondContact O-N 3.45Å; K126-E129 PolarHBondContact O-N 3.49Å; K126-S130 PolarHBondContact O-N 3.29Å
127F95.1Very high89.7Confident1 Ų149.1 Ų49.10%0.00427%0.267CS..Hα-helixtrans-65.2-41.1176.7-72.4-54.2000112.1F99 F103 I104 N123 V124 I125 S130 L152 A190 I248F99-F127 HydrophobicContact CD1-CD1 4.48Å; F99-F127 AromaticContact CD1-CE1 3.91Å; F99-F127 HydrophobicContact CD1-CE1 3.91Å; F99-F127 HydrophobicContact CD2-CD1 4.09Å; F99-F127 AromaticContact CD2-CE1 3.56Å; F99-F127 HydrophobicContact CD2-CE1 3.56Å; F99-F127 HydrophobicContact CD2-CZ 4.21Å; F99-F127 AromaticContact CE1-CE1 3.77Å; F99-F127 HydrophobicContact CE1-CE1 3.77Å; F99-F127 HydrophobicContact CE1-CZ 4.49Å; F99-F127 HydrophobicContact CE2-CD1 4.36Å; F99-F127 AromaticContact CE2-CE1 3.41Å; F99-F127 HydrophobicContact CE2-CE1 3.41Å; F99-F127 VanDerWaalsContact CE2-CE1 3.41Å; F99-F127 AromaticContact CE2-CZ 3.68Å; F99-F127 HydrophobicContact CE2-CZ 3.68Å; F99-F127 HydrophobicContact CG-CD1 4.16Å; F99-F127 AromaticContact CG-CE1 3.82Å; F99-F127 HydrophobicContact CG-CE1 3.82Å; F99-F127 AromaticContact CZ-CE1 3.53Å; F99-F127 HydrophobicContact CZ-CE1 3.53Å; F99-F127 AromaticContact CZ-CZ 3.85Å; F99-F127 HydrophobicContact CZ-CZ 3.85Å; F103-F127 HydrophobicContact CD1-CD1 4.2Å; F103-F127 HydrophobicContact CD1-CE1 4.49Å; F103-F127 AromaticContact CE1-CD1 3.84Å; F103-F127 HydrophobicContact CE1-CD1 3.84Å; F103-F127 AromaticContact CE1-CE1 3.83Å; F103-F127 HydrophobicContact CE1-CE1 3.83Å; I104-F127 HydrophobicContact CD1-CB 4.12Å; I104-F127 HydrophobicContact CD1-CD1 4.45Å; N123-F127 HydrophobicContact CB-CE2 4.39Å; N123-F127 WeakPolarHBondContact O-CD2 3.15Å; N123-F127 PolarHBondContact O-N 3.15Å; V124-F127 PolarHBondContact O-N 2.94Å; I125-F127 VanDerWaalsContact C-N 3.34Å; I125-F127 PolarHBondContact O-N 3.34Å; F127-S130 WeakPolarHBondContact O-CB 3.31Å; F127-S130 PolarHBondContact O-N 2.8Å; F127-S130 PolarHBondContact O-OG 3.47Å; F127-L152 HydrophobicContact CD1-CD2 3.61Å; F127-L152 HydrophobicContact CD2-CD2 4.14Å; F127-L152 HydrophobicContact CE1-CD2 3.38Å; F127-L152 HydrophobicContact CE1-CG 4.15Å; F127-L152 HydrophobicContact CE2-CD2 3.93Å; F127-L152 HydrophobicContact CE2-CG 4.22Å; F127-L152 HydrophobicContact CG-CD2 4Å; F127-L152 HydrophobicContact CZ-CD2 3.56Å; F127-L152 HydrophobicContact CZ-CG 3.87Å; F127-A190 HydrophobicContact CE1-CB 4.32Å; F127-A190 HydrophobicContact CZ-CB 3.69Å; F127-I248 HydrophobicContact CB-CD1 3.76Å; F127-I248 HydrophobicContact CB-CG1 4.49Å; F127-I248 HydrophobicContact CB-CG2 4.36Å; F127-I248 HydrophobicContact CD2-CG2 3.52Å; F127-I248 HydrophobicContact CE2-CG2 4.23Å; F127-I248 HydrophobicContact CG-CG2 4.29Å
128L93Very high89.9Confident36 Ų3652.6 Ų52.619%0.18829%0.286CS..Hα-helixtrans-67.8-37175.4-69174.9000112.7V63 I112 L117 V124 I125 S130 L131V63-L128 HydrophobicContact CG1-CD2 4.3Å; I112-L128 HydrophobicContact CG2-CD1 4.05Å; L117-L128 HydrophobicContact CD1-CD1 3.54Å; V124-L128 HydrophobicContact CG1-CD1 4.27Å; V124-L128 WeakPolarHBondContact O-CG 3.29Å; V124-L128 PolarHBondContact O-N 2.86Å; I125-L128 PolarHBondContact O-N 3.23Å; L128-S130 PolarHBondContact O-N 2.97Å; L128-L131 VanDerWaalsContact O-CB 3.25Å; L128-L131 WeakPolarHBondContact O-CB 3.1Å; L128-L131 PolarHBondContact O-N 3.05Å; L128-L131 VanDerWaalsContact O-N 3.17Å
129E93.4Very high90Very high110 Ų11051.1 Ų51.151%0.51428%0.278SS..Hα-helixtrans-66.3-23.7174.1-74174174.500112.2K114 I125 K126 L131K114-E129 IonicContact NZ-OE1 2.78Å; K114-E129 PolarHBondContact NZ-OE1 3.19Å; I125-E129 HydrophobicContact CG2-CG 4.24Å; I125-E129 WeakPolarHBondContact CG2-OE1 3.18Å; I125-E129 WeakPolarHBondContact O-CB 3.46Å; I125-E129 WeakPolarHBondContact O-CG 3.48Å; I125-E129 PolarHBondContact O-N 3.47Å; K126-E129 PolarHBondContact O-N 3.49Å; E129-L131 VanDerWaalsContact C-N 3.28Å; E129-L131 PolarHBondContact O-N 2.97Å
130S96.3Very high90.1Very high2 Ų255.6 Ų55.61%0.01428%0.284CS..THydrogen-bonded Turntrans-79.5-6.917584.10000114.2G102 F103 K126 F127 L128G102-S130 PolarHBondContact N-O 2.91Å; F103-S130 PolarHBondContact N-O 3.24Å; K126-S130 PolarHBondContact O-N 3.29Å; F127-S130 WeakPolarHBondContact O-CB 3.31Å; F127-S130 PolarHBondContact O-N 2.8Å; F127-S130 PolarHBondContact O-OG 3.47Å; L128-S130 PolarHBondContact O-N 2.97Å
131L95.1Very high90.2Very high19 Ų1957.6 Ų57.610%0.09930%0.303CS..EExtended strand (participates in β ladder)trans-77.2128.2-171.5-173.9144.2000112.7L65 Y101 I104 T106 P110 L128 E129 V133L65-L131 HydrophobicContact CD1-CD1 4.29Å; Y101-L131 WeakPolarHBondContact CE2-O 3.42Å; I104-L131 HydrophobicContact CG2-CD1 4.07Å; I104-L131 HydrophobicContact CG2-CG 4.4Å; I104-L131 CarbonylContact O-C 3.52Å; I104-L131 VanDerWaalsContact O-CA 3.25Å; I104-L131 WeakPolarHBondContact O-CA 3.31Å; T106-L131 HydrophobicContact CG2-CD1 3.93Å; T106-L131 HydrophobicContact CG2-CD2 3.68Å; T106-L131 HydrophobicContact CG2-CG 3.97Å; P110-L131 HydrophobicContact CG-CD1 3.4Å; P110-L131 HydrophobicContact CG-CD2 3.76Å; P110-L131 HydrophobicContact CG-CG 4.21Å; L128-L131 VanDerWaalsContact O-CB 3.25Å; L128-L131 WeakPolarHBondContact O-CB 3.1Å; L128-L131 PolarHBondContact O-N 3.05Å; L128-L131 VanDerWaalsContact O-N 3.17Å; E129-L131 VanDerWaalsContact C-N 3.28Å; E129-L131 PolarHBondContact O-N 2.97Å; L131-V133 HydrophobicContact CD2-CG2 3.74Å
132E95.4Very high90.5Very high50 Ų5060.4 Ų60.423%0.23432%0.315CS..EExtended strand (participates in β ladder)trans-111.8130.6173.8178.1175.2-149.300110.4Y101 G102 I104 K105 T106 L134Y101-E132 HydrophobicContact CE1-CB 3.85Å; Y101-E132 HydrophobicContact CE1-CG 3.77Å; Y101-E132 HydrophobicContact CE2-CB 4.23Å; G102-E132 WeakPolarHBondContact CA-OE2 3.45Å; I104-E132 PolarHBondContact O-N 3.4Å; K105-E132 CarbonylContact C-O 3.58Å; K105-E132 VanDerWaalsContact CA-O 3.25Å; K105-E132 WeakPolarHBondContact CA-O 3.16Å; K105-E132 HydrophobicContact CG-CB 4.35Å; T106-E132 PolarHBondContact N-O 3.43Å; E132-L134 HydrophobicContact CG-CD2 3.73Å; E132-L134 HydrophobicContact CG-CG 4.06Å
133V93.5Very high90.6Very high52 Ų5264.8 Ų64.832%0.31534%0.337SS..EExtended strand (participates in β ladder)trans-95.6123.6174.5-175.20000108.8T106 K109 L131T106-V133 HydrophobicContact CG2-CG2 4.23Å; T106-V133 CarbonylContact O-C 3.57Å; T106-V133 VanDerWaalsContact O-CA 3.29Å; T106-V133 WeakPolarHBondContact O-CA 3.34Å; K109-V133 HydrophobicContact CB-CG2 4.14Å; K109-V133 HydrophobicContact CG-CG2 4.45Å; L131-V133 HydrophobicContact CD2-CG2 3.74Å
134L91.9Very high90.5Very high37 Ų3765.2 Ų65.219%0.19434%0.338CS..  trans-118.9114.9-179.1-60.7177.4000111.5K105 T106 E132 V137 W139K105-L134 HydrophobicContact CB-CD1 4.17Å; K105-L134 HydrophobicContact CD-CD1 3.88Å; K105-L134 HydrophobicContact CG-CD1 4.4Å; T106-L134 PolarHBondContact O-N 2.74Å; E132-L134 HydrophobicContact CG-CD2 3.73Å; E132-L134 HydrophobicContact CG-CG 4.06Å; L134-V137 HydrophobicContact CB-CG2 4.02Å; L134-V137 HydrophobicContact CD1-CG2 3.94Å; L134-W139 HydrophobicContact CB-CZ2 4.1Å; L134-W139 PolarHBondContact O-NE1 2.76Å
135D83.1Confident90.6Very high149 Ų14966.2 Ų66.280%0.79734%0.342SS*.SBendtrans-83.3-22176.5-61.1-30.8000112.7V137D135-V137 VanDerWaalsContact C-N 3.33Å; D135-V137 PolarHBondContact O-N 3.21Å
136S81Confident90.7Very high113 Ų11371.3 Ų71.379%0.7936%0.363SS*.SBendtrans-80.9-9.8-17457.90000114.5
137V83.9Confident90.7Very high36 Ų3674.1 Ų74.122%0.21838%0.378CS..SBendtrans-91.8127.9-178.3177.70000108.9L134 D135 W139 K142L134-V137 HydrophobicContact CB-CG2 4.02Å; L134-V137 HydrophobicContact CD1-CG2 3.94Å; D135-V137 VanDerWaalsContact C-N 3.33Å; D135-V137 PolarHBondContact O-N 3.21Å; V137-W139 VanDerWaalsContact C-N 3.26Å; V137-W139 HydrophobicContact CB-CD2 4.4Å; V137-W139 HydrophobicContact CB-CZ2 4.27Å; V137-W139 HydrophobicContact CG1-CD2 4.06Å; V137-W139 HydrophobicContact CG1-CG 4.28Å; V137-W139 HydrophobicContact CG1-CZ2 4.41Å; V137-W139 PolarHBondContact O-N 2.8Å; V137-K142 VanDerWaalsContact CG1-CE 3.41Å; V137-K142 HydrophobicContact CG1-CG 4.4Å
138D87.7Confident90.7Very high88 Ų8876.9 Ų76.947%0.47139%0.39SS..  trans-74.485.7167.6-179.210.4000109.9K140 T141D138-K140 PolarHBondContact O-N 3.33Å; D138-K140 VanDerWaalsContact O-N 3.14Å; D138-K140 WeakPolarHBondContact OD1-CB 3.04Å; D138-K140 PolarHBondContact OD1-N 3.29Å; D138-K140 VanDerWaalsContact OD1-N 3.13Å; D138-T141 PolarHBondContact O-N 2.77Å; D138-T141 PolarHBondContact O-OG1 2.81Å; D138-T141 WeakPolarHBondContact OD2-CG2 3.36Å; D138-T141 PolarHBondContact OD2-OG1 2.79Å
139W86.9Confident90.9Very high33 Ų3375.3 Ų75.313%0.12538%0.382CS..THydrogen-bonded Turntrans-62.1-17.5-179.8-66.295.2000113.1C69 K105 T106 G107 L134 V137 Y144C69-W139 HydrophobicContact CB-CZ3 4.42Å; K105-W139 VanDerWaalsContact C-CH2 3.48Å; K105-W139 HydrophobicContact CB-CH2 3.97Å; K105-W139 WeakPolarHBondContact O-CH2 3.06Å; T106-W139 WeakPolarHBondContact O-CZ2 3.25Å; G107-W139 VanDerWaalsContact CA-CD1 3.44Å; G107-W139 VanDerWaalsContact CA-CE2 3.42Å; G107-W139 VanDerWaalsContact N-CZ2 3.35Å; L134-W139 HydrophobicContact CB-CZ2 4.1Å; L134-W139 PolarHBondContact O-NE1 2.76Å; V137-W139 VanDerWaalsContact C-N 3.26Å; V137-W139 HydrophobicContact CB-CD2 4.4Å; V137-W139 HydrophobicContact CB-CZ2 4.27Å; V137-W139 HydrophobicContact CG1-CD2 4.06Å; V137-W139 HydrophobicContact CG1-CG 4.28Å; V137-W139 HydrophobicContact CG1-CZ2 4.41Å; V137-W139 PolarHBondContact O-N 2.8Å; W139-Y144 WeakPolarHBondContact CB-OH 3.34Å; W139-Y144 HydrophobicContact CE3-CE1 4.43Å; W139-Y144 VanDerWaalsContact CE3-OH 3.32Å; W139-Y144 WeakPolarHBondContact O-CE2 3.5Å; W139-Y144 PolarHBondContact O-OH 3.46Å
140K84.2Confident91.1Very high198 Ų19870.1 Ų70.186%0.86136%0.358SS*.THydrogen-bonded Turntrans-78.2-25.9-179.3-65.2-179.5-179.6176.90112.8D138D138-K140 PolarHBondContact O-N 3.33Å; D138-K140 VanDerWaalsContact O-N 3.14Å; D138-K140 WeakPolarHBondContact OD1-CB 3.04Å; D138-K140 PolarHBondContact OD1-N 3.29Å; D138-K140 VanDerWaalsContact OD1-N 3.13Å
141T86.7Confident91.2Very high105 Ų10570 Ų7064%0.64436%0.357SS*.THydrogen-bonded Turntrans-93.3-5.9-178.249.80000113.6D138D138-T141 PolarHBondContact O-N 2.77Å; D138-T141 PolarHBondContact O-OG1 2.81Å; D138-T141 WeakPolarHBondContact OD2-CG2 3.36Å; D138-T141 PolarHBondContact OD2-OG1 2.79Å
142K90.7Very high91.3Very high59 Ų5969.1 Ų69.126%0.25735%0.352SS..SBendtrans-70.5140.5178.4-60.2-57.3-173.3166.40112V137 Y144 D238 Y242V137-K142 VanDerWaalsContact CG1-CE 3.41Å; V137-K142 HydrophobicContact CG1-CG 4.4Å; K142-Y144 HydrophobicContact CB-CD2 4.38Å; K142-Y144 HydrophobicContact CB-CE2 3.81Å; K142-Y144 WeakPolarHBondContact O-CD2 3.38Å; K142-Y144 WeakPolarHBondContact O-CE2 3.47Å; K142-Y144 PolarHBondContact O-N 3.44Å; K142-D238 IonicContact NZ-OD2 3.65Å; K142-Y242 HydrophobicContact CB-CD1 3.69Å; K142-Y242 HydrophobicContact CB-CE1 3.85Å; K142-Y242 HydrophobicContact CB-CG 4.26Å; K142-Y242 HydrophobicContact CD-CD1 4.27Å; K142-Y242 HydrophobicContact CD-CE1 3.56Å; K142-Y242 HydrophobicContact CD-CE2 4.37Å; K142-Y242 VanDerWaalsContact CE-OH 3.31Å; K142-Y242 WeakPolarHBondContact CE-OH 3.21Å; K142-Y242 HydrophobicContact CG-CD1 3.89Å; K142-Y242 HydrophobicContact CG-CE1 3.51Å; K142-Y242 PolarHBondContact NZ-OH 3.39Å
143N91.7Very high91.4Very high144 Ų14466.8 Ų66.877%0.7734%0.342SS*.  trans-86.985.9177.8-171.420.1000110.5
144Y93Very high91.6Very high16 Ų1664.9 Ų64.96%0.06333%0.33CS..  trans-73.7139.4178.2-57.9-89.9000112.1N67 W139 K142 K146 Y242N67-Y144 VanDerWaalsContact CA-CE1 3.47Å; N67-Y144 HydrophobicContact CB-CD1 4.46Å; N67-Y144 HydrophobicContact CB-CE1 3.74Å; N67-Y144 HydrophobicContact CB-CE2 4.49Å; W139-Y144 WeakPolarHBondContact CB-OH 3.34Å; W139-Y144 HydrophobicContact CE3-CE1 4.43Å; W139-Y144 VanDerWaalsContact CE3-OH 3.32Å; W139-Y144 WeakPolarHBondContact O-CE2 3.5Å; W139-Y144 PolarHBondContact O-OH 3.46Å; K142-Y144 HydrophobicContact CB-CD2 4.38Å; K142-Y144 HydrophobicContact CB-CE2 3.81Å; K142-Y144 WeakPolarHBondContact O-CD2 3.38Å; K142-Y144 WeakPolarHBondContact O-CE2 3.47Å; K142-Y144 PolarHBondContact O-N 3.44Å; Y144-K146 PolarHBondContact O-N 2.98Å; Y144-Y242 HydrophobicContact CE1-CD1 4.25Å
145Y94.8Very high91.8Very high21 Ų2163.3 Ų63.38%0.08232%0.322CS..BIsolated β-bridgetrans-62.8116.8161.2179.9-100.8000109.9E147 K148 V150 L232 P233 Y242 N244Y145-E147 HydrophobicContact CE2-CB 3.78Å; Y145-E147 HydrophobicContact CE2-CG 4.05Å; Y145-K148 HydrophobicContact CE1-CB 3.93Å; Y145-K148 VanDerWaalsContact CE1-O 3.29Å; Y145-K148 WeakPolarHBondContact CE1-O 3.45Å; Y145-K148 WeakPolarHBondContact OH-CB 3.21Å; Y145-K148 WeakPolarHBondContact OH-CG 3.45Å; Y145-V150 HydrophobicContact CD1-CG2 3.93Å; Y145-V150 HydrophobicContact CE1-CG2 4.04Å; Y145-L232 HydrophobicContact CD1-CD2 3.76Å; Y145-L232 HydrophobicContact CD2-CD2 4.05Å; Y145-L232 HydrophobicContact CE1-CD2 3.42Å; Y145-L232 VanDerWaalsContact CE1-CD2 3.42Å; Y145-L232 HydrophobicContact CE2-CD2 3.73Å; Y145-L232 HydrophobicContact CG-CD2 4.04Å; Y145-P233 HydrophobicContact CD2-CG 3.93Å; Y145-Y242 WeakPolarHBondContact CB-O 3.44Å; Y145-Y242 PolarHBondContact N-O 2.94Å; Y145-N244 VanDerWaalsContact O-CB 3.28Å; Y145-N244 WeakPolarHBondContact O-CB 3.4Å; Y145-N244 PolarHBondContact O-N 3.39Å
146K93.5Very high92.2Very high127 Ų12756.6 Ų56.655%0.55229%0.286SS*.  trans-120.4-5.2-175.7-71.9175.9-178.1-177.30113.7Y144 K148 N244Y144-K146 PolarHBondContact O-N 2.98Å; K146-K148 VanDerWaalsContact C-N 3.32Å; K146-K148 PolarHBondContact O-N 3.46Å; K146-N244 HydrophobicContact CG-CB 3.66Å
147E93.3Very high92.8Very high161 Ų16154 Ų5475%0.75226%0.261SS*.SBendtrans-69-31.9-174.1-60.4-178.2-173.700112.7Y145Y145-E147 HydrophobicContact CE2-CB 3.78Å; Y145-E147 HydrophobicContact CE2-CG 4.05Å
148K95.3Very high93.3Very high58 Ų5852.6 Ų52.625%0.25225%0.252SS..SBendtrans-145.1156.1179.6-57.9-171.2-170.7-1780111.4Y145 K146 N183 N184 I185 H186 S209Y145-K148 HydrophobicContact CE1-CB 3.93Å; Y145-K148 VanDerWaalsContact CE1-O 3.29Å; Y145-K148 WeakPolarHBondContact CE1-O 3.45Å; Y145-K148 WeakPolarHBondContact OH-CB 3.21Å; Y145-K148 WeakPolarHBondContact OH-CG 3.45Å; K146-K148 VanDerWaalsContact C-N 3.32Å; K146-K148 PolarHBondContact O-N 3.46Å; K148-N183 WeakPolarHBondContact CE-O 3.04Å; K148-N184 WeakPolarHBondContact CA-O 3.41Å; K148-N184 WeakPolarHBondContact CB-O 3.2Å; K148-I185 WeakPolarHBondContact CD-O 3.4Å; K148-H186 HydrophobicContact CB-CB 4.36Å; K148-H186 HydrophobicContact CD-CB 4.41Å; K148-S209 PolarHBondContact NZ-OG 2.84Å
149I96.9Very high93.6Very high4 Ų449.4 Ų49.42%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-75.5130.6168.4-57-172.2000108.7E45 I46 L151 L180 N184 I185 H186 K245 V247E45-I149 HydrophobicContact CG-CD1 4.29Å; E45-I149 HydrophobicContact CG-CG1 4.47Å; I46-I149 HydrophobicContact CD1-CD1 3.59Å; I46-I149 HydrophobicContact CD1-CG2 4.42Å; I46-I149 HydrophobicContact CG1-CD1 3.76Å; I149-L151 HydrophobicContact CG2-CD1 4.07Å; I149-L180 HydrophobicContact CD1-CD1 4.1Å; I149-L180 HydrophobicContact CD1-CD2 3.44Å; I149-L180 VanDerWaalsContact CD1-CD2 3.44Å; I149-L180 HydrophobicContact CD1-CG 4.42Å; I149-L180 HydrophobicContact CG2-CD1 4.36Å; I149-N184 PolarHBondContact N-O 3.19Å; I149-I185 CarbonylContact O-C 3.53Å; I149-I185 VanDerWaalsContact O-CA 3.27Å; I149-I185 WeakPolarHBondContact O-CA 3.19Å; I149-H186 PolarHBondContact O-N 2.79Å; I149-K245 HydrophobicContact CD1-CD 4.16Å; I149-K245 HydrophobicContact CG1-CB 4.2Å; I149-K245 HydrophobicContact CG1-CD 4.28Å; I149-K245 HydrophobicContact CG2-CB 4.08Å; I149-V247 HydrophobicContact CG2-CG2 3.49Å; I149-V247 VanDerWaalsContact CG2-CG2 3.49Å
150V98Very high94Very high0 Ų050 Ų500%024%0.243CC..EExtended strand (participates in β ladder)trans-94.9121.3-177.9-177.80000109.4Y145 H186 I188 L232 I243 K245 L246 V247Y145-V150 HydrophobicContact CD1-CG2 3.93Å; Y145-V150 HydrophobicContact CE1-CG2 4.04Å; V150-H186 CarbonylContact C-O 3.58Å; V150-H186 VanDerWaalsContact CA-O 3.28Å; V150-H186 WeakPolarHBondContact CA-O 3.46Å; V150-I188 HydrophobicContact CG1-CD1 3.55Å; V150-I188 HydrophobicContact CG1-CG1 3.69Å; V150-L232 HydrophobicContact CG1-CD1 4.21Å; V150-L232 HydrophobicContact CG2-CD1 3.99Å; V150-L232 HydrophobicContact CG2-CD2 4.49Å; V150-I243 HydrophobicContact CB-CD1 4.27Å; V150-I243 HydrophobicContact CB-CG2 3.88Å; V150-I243 HydrophobicContact CG1-CD1 4.13Å; V150-I243 HydrophobicContact CG2-CD1 4.21Å; V150-I243 HydrophobicContact CG2-CG1 4.3Å; V150-I243 HydrophobicContact CG2-CG2 3.72Å; V150-K245 PolarHBondContact N-O 3.06Å; V150-L246 HydrophobicContact CB-CD1 4.11Å; V150-L246 HydrophobicContact CG1-CD1 3.9Å; V150-L246 CarbonylContact O-C 3.27Å; V150-L246 WeakPolarHBondContact O-CA 3.42Å; V150-V247 PolarHBondContact O-N 2.99Å
151L98.1Very high94.6Very high0 Ų041.3 Ų41.30%021%0.206CC..EExtended strand (participates in β ladder)trans-97125.5173.2-86.162.5000109.1I149 V153 T171 T174 I175 L180 I185 H186 I187 I188 V247 V249I149-L151 HydrophobicContact CG2-CD1 4.07Å; L151-V153 HydrophobicContact CB-CG2 4.4Å; L151-T171 HydrophobicContact CD2-CG2 3.99Å; L151-T174 HydrophobicContact CD2-CG2 4.24Å; L151-I175 HydrophobicContact CD2-CG1 4.27Å; L151-L180 HydrophobicContact CD1-CD1 4.46Å; L151-I185 HydrophobicContact CD1-CB 4.23Å; L151-I185 HydrophobicContact CD1-CG2 3.99Å; L151-I185 HydrophobicContact CD2-CD1 4.4Å; L151-H186 PolarHBondContact N-O 3.23Å; L151-I187 HydrophobicContact CB-CG1 4.21Å; L151-I187 CarbonylContact O-C 3.51Å; L151-I187 WeakPolarHBondContact O-CA 3.42Å; L151-I188 PolarHBondContact O-N 2.91Å; L151-V247 CarbonylContact C-O 3.48Å; L151-V247 WeakPolarHBondContact CA-O 3.44Å; L151-V247 HydrophobicContact CD1-CB 4.03Å; L151-V247 HydrophobicContact CD1-CG2 4.25Å; L151-V247 HydrophobicContact CG-CB 4.07Å; L151-V247 HydrophobicContact CG-CG1 4.36Å; L151-V249 HydrophobicContact CB-CG2 4.1Å; L151-V249 HydrophobicContact CD2-CG2 4.01Å; L151-V249 HydrophobicContact CG-CG2 3.97Å
152L97.8Very high95.1Very high0 Ų036.5 Ų36.50%018%0.176CC..EExtended strand (participates in β ladder)trans-97114.3173.8-16567.1000109F103 F127 I188 A190 L246 V247 V249F103-L152 HydrophobicContact CE1-CD2 4.19Å; F127-L152 HydrophobicContact CD1-CD2 3.61Å; F127-L152 HydrophobicContact CD2-CD2 4.14Å; F127-L152 HydrophobicContact CE1-CD2 3.38Å; F127-L152 HydrophobicContact CE1-CG 4.15Å; F127-L152 HydrophobicContact CE2-CD2 3.93Å; F127-L152 HydrophobicContact CE2-CG 4.22Å; F127-L152 HydrophobicContact CG-CD2 4Å; F127-L152 HydrophobicContact CZ-CD2 3.56Å; F127-L152 HydrophobicContact CZ-CG 3.87Å; L152-I188 HydrophobicContact CD1-CB 3.88Å; L152-I188 HydrophobicContact CD1-CG2 3.83Å; L152-A190 HydrophobicContact CD1-CB 3.67Å; L152-A190 HydrophobicContact CG-CB 3.91Å; L152-L246 HydrophobicContact CB-CD1 4.14Å; L152-V247 PolarHBondContact N-O 2.85Å; L152-V249 PolarHBondContact O-N 3.39Å
153V97.6Very high95.4Very high2 Ų234.1 Ų34.11%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-124.8121.1-171.61750000109.4L151 R155 I187 I188 I189 A190 W202 V249L151-V153 HydrophobicContact CB-CG2 4.4Å; V153-R155 HydrophobicContact CG1-CG 4.39Å; V153-I187 HydrophobicContact CB-CG2 4.11Å; V153-I187 HydrophobicContact CG2-CG2 3.93Å; V153-I188 PolarHBondContact N-O 2.9Å; V153-I189 HydrophobicContact CB-CD1 4.29Å; V153-I189 HydrophobicContact CG1-CD1 4.31Å; V153-I189 CarbonylContact O-C 3.51Å; V153-I189 WeakPolarHBondContact O-CA 3.37Å; V153-A190 PolarHBondContact O-N 2.97Å; V153-W202 HydrophobicContact CG1-CH2 3.72Å; V153-W202 HydrophobicContact CG1-CZ3 4.08Å; V153-V249 HydrophobicContact CG2-CB 3.88Å; V153-V249 HydrophobicContact CG2-CG1 4.4Å; V153-V249 HydrophobicContact CG2-CG2 3.78Å
154T97.1Very high95.7Very high11 Ų1127.4 Ų27.47%0.06713%0.13CC..  trans-98.8122.7168.4-59.90000108.2A190 D191 Y251T154-A190 PolarHBondContact OG1-O 2.79Å; T154-D191 HydrophobicContact CG2-CB 4.41Å; T154-Y251 WeakPolarHBondContact O-CB 3.48Å
155R96.4Very high95.9Very high5 Ų526.7 Ų26.72%0.01913%0.128CC..  trans-87.5147.1174.4-55.8169.7-62.5170.66.7109.9V153 D167 I189 D191 H193 D199 W202 R212V153-R155 HydrophobicContact CG1-CG 4.39Å; R155-D167 VanDerWaalsContact CA-OD2 3.24Å; R155-D167 WeakPolarHBondContact CA-OD2 3.16Å; R155-D167 WeakPolarHBondContact CB-OD2 3.34Å; R155-I189 HydrophobicContact CG-CD1 4.37Å; R155-D191 VanDerWaalsContact CB-OD2 3.25Å; R155-D191 WeakPolarHBondContact CB-OD2 3.48Å; R155-D191 WeakPolarHBondContact CG-OD2 3.35Å; R155-D191 IonicContact CZ-OD1 2.81Å; R155-D191 IonicContact CZ-OD2 3.78Å; R155-D191 PolarHBondContact N-OD2 2.99Å; R155-D191 IonicContact NE-OD1 3.82Å; R155-D191 IonicContact NE-OD2 3.81Å; R155-D191 PolarHBondContact NE-OD2 2.9Å; R155-D191 IonicContact NH2-OD1 3.06Å; R155-D191 PolarHBondContact NH2-OD1 3.36Å; R155-D191 IonicContact NH2-OD2 3.86Å; R155-H193 PolarHBondContact O-NE2 2.81Å; R155-H193 VanDerWaalsContact O-NE2 3.16Å; R155-D199 IonicContact CZ-OD1 3.03Å; R155-D199 IonicContact NH1-OD1 3.4Å; R155-D199 PolarHBondContact NH1-OD1 2.99Å; R155-D199 IonicContact NH1-OD2 3.94Å; R155-D199 IonicContact NH2-OD1 3.54Å; R155-W202 HydrophobicContact CG-CZ2 4Å; R155-R212 VanDerWaalsContact NH2-CZ 3.3Å; R155-R212 VanDerWaalsContact NH2-NH1 3.14Å
156V92.3Very high95.9Very high7 Ų725.7 Ų25.74%0.04212%0.124CC..SBendtrans-121.7141.2175.8-70.70000109.5Y158 H163 D167 Y251 Y253V156-Y158 PolarHBondContact O-N 3.16Å; V156-H163 WeakPolarHBondContact O-CB 3.31Å; V156-D167 PolarHBondContact N-OD2 2.91Å; V156-Y251 HydrophobicContact CG1-CD2 3.39Å; V156-Y251 HydrophobicContact CG1-CE2 4.03Å; V156-Y251 HydrophobicContact CG1-CG 4.11Å; V156-Y253 HydrophobicContact CB-CD2 4.16Å; V156-Y253 HydrophobicContact CB-CE2 3.72Å; V156-Y253 HydrophobicContact CG1-CD2 4.1Å; V156-Y253 HydrophobicContact CG1-CE2 3.93Å; V156-Y253 HydrophobicContact CG2-CD2 3.79Å; V156-Y253 HydrophobicContact CG2-CE2 3.72Å
157E93.4Very high96.1Very high60 Ų6019.7 Ų19.728%0.2810%0.098SC..SBendtrans45.547.8-175.5-61-173.2-13700112.3A159 N160 H163 Y253E157-A159 PolarHBondContact O-N 3.14Å; E157-N160 HydrophobicContact CB-CB 4.04Å; E157-N160 WeakPolarHBondContact O-CA 3.3Å; E157-N160 VanDerWaalsContact O-CB 3.29Å; E157-N160 WeakPolarHBondContact O-CB 3.37Å; E157-N160 PolarHBondContact O-N 3.34Å; E157-N160 PolarHBondContact OE2-ND2 3.32Å; E157-N160 VanDerWaalsContact OE2-ND2 3.14Å; E157-H163 HydrophobicContact CB-CB 3.84Å; E157-H163 VanDerWaalsContact CD-CE1 3.5Å; E157-H163 VanDerWaalsContact CD-NE2 3.33Å; E157-H163 IonicContact OE1-CD2 3.59Å; E157-H163 IonicContact OE1-CE1 3.64Å; E157-H163 PolarHBondContact OE1-CE1 3.34Å; E157-H163 IonicContact OE1-ND1 3.62Å; E157-H163 IonicContact OE1-NE2 3.71Å; E157-H163 PolarHBondContact OE1-NE2 2.97Å; E157-H163 IonicContact OE2-CD2 2.84Å; E157-H163 PolarHBondContact OE2-CD2 3.28Å; E157-H163 VanDerWaalsContact OE2-CD2 3.29Å; E157-H163 IonicContact OE2-CE1 2.71Å; E157-H163 IonicContact OE2-NE2 3.88Å; E157-H163 PolarHBondContact OE2-NE2 3.21Å; E157-Y253 PolarHBondContact OE1-OH 3.12Å
158Y94.5Very high96.3Very high6 Ų612 Ų122%0.0246%0.062CC..THydrogen-bonded Turntrans-52.4-23-168.377.5-75.6000116V156 T164 H193 P194 H398 P399V156-Y158 PolarHBondContact O-N 3.16Å; Y158-T164 PolarHBondContact O-OG1 2.9Å; Y158-T164 VanDerWaalsContact O-OG1 3.1Å; Y158-H193 HydrophobicContact CD1-CB 3.53Å; Y158-H193 AromaticContact CD1-CD2 3.65Å; Y158-H193 AromaticContact CD1-CE1 3.74Å; Y158-H193 AromaticContact CD1-CG 3.21Å; Y158-H193 AromaticContact CD1-ND1 3.25Å; Y158-H193 VanDerWaalsContact CD1-ND1 3.25Å; Y158-H193 WeakPolarHBondContact CD1-ND1 3.46Å; Y158-H193 AromaticContact CD1-NE2 3.95Å; Y158-H193 HydrophobicContact CD2-CB 4.05Å; Y158-H193 HydrophobicContact CE1-CB 3.73Å; Y158-H193 AromaticContact CE1-CG 3.72Å; Y158-H193 AromaticContact CE1-ND1 3.54Å; Y158-H193 HydrophobicContact CE2-CB 4.24Å; Y158-H193 HydrophobicContact CG-CB 3.68Å; Y158-H193 AromaticContact CG-CD2 3.85Å; Y158-H193 AromaticContact CG-CG 3.66Å; Y158-P194 WeakPolarHBondContact CE2-O 3.34Å; Y158-H398 HydrophobicContact CE1-CB 4.41Å; Y158-P399 WeakPolarHBondContact OH-CD 3.43Å
159A94.2Very high96.3Very high21 Ų219.3 Ų9.317%0.1745%0.05CC..THydrogen-bonded Turntrans-88.8-1.3178.100000113.7E157 S397 H398E157-A159 PolarHBondContact O-N 3.14Å; A159-S397 WeakPolarHBondContact CB-O 3.44Å; A159-H398 HydrophobicContact CB-CB 3.92Å
160N95.3Very high96.1Very high45 Ų459.1 Ų9.124%0.2415%0.049CC..SBendtrans-104116.5179.7-174.9-25.2000109.6E157 Y162 H163 T164 A457E157-N160 HydrophobicContact CB-CB 4.04Å; E157-N160 WeakPolarHBondContact O-CA 3.3Å; E157-N160 VanDerWaalsContact O-CB 3.29Å; E157-N160 WeakPolarHBondContact O-CB 3.37Å; E157-N160 PolarHBondContact O-N 3.34Å; E157-N160 PolarHBondContact OE2-ND2 3.32Å; E157-N160 VanDerWaalsContact OE2-ND2 3.14Å; N160-Y162 PolarHBondContact O-N 3.23Å; N160-Y162 VanDerWaalsContact O-N 3.15Å; N160-Y162 PolarHBondContact OD1-N 3.15Å; N160-H163 VanDerWaalsContact CG-CD2 3.48Å; N160-H163 PolarHBondContact ND2-CD2 2.94Å; N160-H163 VanDerWaalsContact ND2-CD2 3.33Å; N160-H163 PolarHBondContact O-N 2.91Å; N160-H163 VanDerWaalsContact O-N 3.11Å; N160-T164 PolarHBondContact O-N 2.79Å; N160-T164 PolarHBondContact O-OG1 3.49Å; N160-A457 WeakPolarHBondContact OD1-CB 3.45Å
161L96.6Very high96.1Very high15 Ų159.1 Ų9.18%0.0795%0.049CC..Hα-helixtrans-56.6-33.7-175.6-179.263.2000113.3M165 L198 I201 A457 T460 Y461L161-M165 HydrophobicContact CD1-CE 4.41Å; L161-M165 WeakPolarHBondContact O-CB 3.3Å; L161-M165 PolarHBondContact O-N 3.49Å; L161-L198 HydrophobicContact CB-CD1 4.2Å; L161-L198 HydrophobicContact CD1-CD1 4.39Å; L161-L198 HydrophobicContact CD1-CD2 3.92Å; L161-I201 HydrophobicContact CD1-CD1 4.4Å; L161-A457 HydrophobicContact CB-CB 4.19Å; L161-T460 HydrophobicContact CG-CG2 4.17Å; L161-Y461 HydrophobicContact CD2-CD2 3.81Å; L161-Y461 HydrophobicContact CD2-CE1 4.37Å; L161-Y461 HydrophobicContact CD2-CE2 3.44Å; L161-Y461 VanDerWaalsContact CD2-CE2 3.44Å; L161-Y461 HydrophobicContact CD2-CG 4.43Å
162Y97.3Very high95.9Very high4 Ų49.4 Ų9.42%0.0165%0.05CC..Hα-helixtrans-63.1-50.7176.5174.4-92.9000111.6N160 M165 T166 Y258 V259 T460 H485 F486 F489N160-Y162 PolarHBondContact O-N 3.23Å; N160-Y162 VanDerWaalsContact O-N 3.15Å; N160-Y162 PolarHBondContact OD1-N 3.15Å; Y162-M165 PolarHBondContact O-N 3.28Å; Y162-T166 HydrophobicContact CE1-CG2 4.15Å; Y162-T166 PolarHBondContact O-N 3.04Å; Y162-T166 VanDerWaalsContact O-N 3.1Å; Y162-Y258 AromaticContact CE1-CD2 3.85Å; Y162-Y258 HydrophobicContact CE1-CD2 3.85Å; Y162-Y258 AromaticContact CE1-CE2 3.97Å; Y162-Y258 HydrophobicContact CE1-CE2 3.97Å; Y162-Y258 WeakPolarHBondContact OH-CA 3.35Å; Y162-V259 PolarHBondContact OH-N 3.03Å; Y162-T460 VanDerWaalsContact CA-OG1 3.22Å; Y162-T460 WeakPolarHBondContact CA-OG1 3.25Å; Y162-T460 WeakPolarHBondContact CB-OG1 3.37Å; Y162-T460 PolarHBondContact N-OG1 2.68Å; Y162-H485 AromaticContact CE1-CD2 3.63Å; Y162-H485 HydrophobicContact CE2-CB 4.04Å; Y162-H485 AromaticContact CE2-CD2 3.64Å; Y162-H485 AromaticContact CZ-CD2 3.33Å; Y162-H485 PolarHBondContact OH-CD2 3.05Å; Y162-F486 HydrophobicContact CD2-CE1 4.09Å; Y162-F489 AromaticContact CD2-CE2 3.93Å; Y162-F489 HydrophobicContact CD2-CE2 3.93Å; Y162-F489 AromaticContact CD2-CZ 3.71Å; Y162-F489 HydrophobicContact CD2-CZ 3.71Å; Y162-F489 HydrophobicContact CE2-CE1 4.14Å; Y162-F489 HydrophobicContact CE2-CE2 4.05Å; Y162-F489 AromaticContact CE2-CZ 3.45Å; Y162-F489 HydrophobicContact CE2-CZ 3.45Å; Y162-F489 VanDerWaalsContact CE2-CZ 3.45Å
163H96.6Very high95.7Very high9 Ų99.4 Ų9.44%0.0425%0.05CC..Hα-helixtrans-71.1-35.9-178.7-64.4-94.4000112.1V156 E157 N160 M165 T166 D167 Y253V156-H163 WeakPolarHBondContact O-CB 3.31Å; E157-H163 HydrophobicContact CB-CB 3.84Å; E157-H163 VanDerWaalsContact CD-CE1 3.5Å; E157-H163 VanDerWaalsContact CD-NE2 3.33Å; E157-H163 IonicContact OE1-CD2 3.59Å; E157-H163 IonicContact OE1-CE1 3.64Å; E157-H163 PolarHBondContact OE1-CE1 3.34Å; E157-H163 IonicContact OE1-ND1 3.62Å; E157-H163 IonicContact OE1-NE2 3.71Å; E157-H163 PolarHBondContact OE1-NE2 2.97Å; E157-H163 IonicContact OE2-CD2 2.84Å; E157-H163 PolarHBondContact OE2-CD2 3.28Å; E157-H163 VanDerWaalsContact OE2-CD2 3.29Å; E157-H163 IonicContact OE2-CE1 2.71Å; E157-H163 IonicContact OE2-NE2 3.88Å; E157-H163 PolarHBondContact OE2-NE2 3.21Å; N160-H163 VanDerWaalsContact CG-CD2 3.48Å; N160-H163 PolarHBondContact ND2-CD2 2.94Å; N160-H163 VanDerWaalsContact ND2-CD2 3.33Å; N160-H163 PolarHBondContact O-N 2.91Å; N160-H163 VanDerWaalsContact O-N 3.11Å; H163-M165 PolarHBondContact O-N 2.76Å; H163-T166 WeakPolarHBondContact CA-OG1 3.43Å; H163-T166 PolarHBondContact O-N 3.32Å; H163-T166 PolarHBondContact O-OG1 3.4Å; H163-D167 PolarHBondContact O-N 3.48Å; H163-Y253 AromaticContact CE1-CE1 3.64Å; H163-Y253 AromaticContact CE1-CZ 3.98Å; H163-Y253 AromaticContact ND1-CE1 3.88Å; H163-Y253 AromaticContact ND1-CZ 4Å
164T97.3Very high95.4Very high3 Ų39.3 Ų9.32%0.0185%0.05CC..Hα-helixtrans-57-41.1170.9-61.80000111.2Y158 N160 D167 L168 L198Y158-T164 PolarHBondContact O-OG1 2.9Å; Y158-T164 VanDerWaalsContact O-OG1 3.1Å; N160-T164 PolarHBondContact O-N 2.79Å; N160-T164 PolarHBondContact O-OG1 3.49Å; T164-D167 PolarHBondContact O-N 2.96Å; T164-L168 HydrophobicContact CG2-CD1 3.89Å; T164-L168 HydrophobicContact CG2-CG 4.33Å; T164-L168 WeakPolarHBondContact O-CB 3.22Å; T164-L168 VanDerWaalsContact O-CG 3.22Å; T164-L168 WeakPolarHBondContact O-CG 3.26Å; T164-L168 PolarHBondContact O-N 2.8Å; T164-L198 HydrophobicContact CG2-CB 4.12Å; T164-L198 HydrophobicContact CG2-CD1 4.36Å; T164-L198 VanDerWaalsContact OG1-CD1 3.27Å; T164-L198 WeakPolarHBondContact OG1-CD1 3.24Å
165M97.4Very high95.3Very high1 Ų19.2 Ų9.21%0.0055%0.049CC..Hα-helixtrans-70.7-33.9-179.9-160.664.573.400112.7L161 Y162 H163 L168 Y169 F284 L288 T460 L463L161-M165 HydrophobicContact CD1-CE 4.41Å; L161-M165 WeakPolarHBondContact O-CB 3.3Å; L161-M165 PolarHBondContact O-N 3.49Å; Y162-M165 PolarHBondContact O-N 3.28Å; H163-M165 PolarHBondContact O-N 2.76Å; M165-L168 HydrophobicContact SD-CD1 4.31Å; M165-Y169 VanDerWaalsContact O-CB 3.23Å; M165-Y169 WeakPolarHBondContact O-CB 3.48Å; M165-Y169 PolarHBondContact O-N 2.92Å; M165-F284 HydrophobicContact CG-CE1 3.82Å; M165-F284 HydrophobicContact CG-CZ 4.09Å; M165-F284 HydrophobicContact SD-CE1 3.53Å; M165-F284 VanDerWaalsContact SD-CE1 3.53Å; M165-F284 HydrophobicContact SD-CZ 3.48Å; M165-F284 WeakPolarHBondContact SD-CZ 3.35Å; M165-L288 HydrophobicContact CE-CD1 4.08Å; M165-L288 HydrophobicContact SD-CD1 3.66Å; M165-L288 HydrophobicContact SD-CD2 4.25Å; M165-T460 HydrophobicContact CB-CG2 3.59Å; M165-T460 HydrophobicContact CE-CG2 4.16Å; M165-T460 HydrophobicContact CG-CG2 3.84Å; M165-L463 HydrophobicContact CG-CD1 3.55Å
166T95.8Very high95Very high0 Ų013.7 Ų13.70%07%0.068CC..Hα-helixtrans-69.1-38.2174.659.60000111.9Y162 H163 Y169 N170 G252 S255 L257Y162-T166 HydrophobicContact CE1-CG2 4.15Å; Y162-T166 PolarHBondContact O-N 3.04Å; Y162-T166 VanDerWaalsContact O-N 3.1Å; H163-T166 WeakPolarHBondContact CA-OG1 3.43Å; H163-T166 PolarHBondContact O-N 3.32Å; H163-T166 PolarHBondContact O-OG1 3.4Å; T166-Y169 PolarHBondContact O-N 3.04Å; T166-N170 PolarHBondContact O-N 2.75Å; T166-G252 WeakPolarHBondContact CB-O 3.41Å; T166-G252 WeakPolarHBondContact OG1-CA 3.17Å; T166-G252 PolarHBondContact OG1-O 2.56Å; T166-S255 PolarHBondContact O-OG 3.13Å; T166-L257 HydrophobicContact CG2-CB 3.91Å
167D96.5Very high94.7Very high2 Ų215.6 Ų15.61%0.0118%0.078CC..Hα-helixtrans-64.2-45.5172.4-71.3-37.2000112R155 V156 H163 T164 Y169 N170 T171 W202 G252R155-D167 VanDerWaalsContact CA-OD2 3.24Å; R155-D167 WeakPolarHBondContact CA-OD2 3.16Å; R155-D167 WeakPolarHBondContact CB-OD2 3.34Å; V156-D167 PolarHBondContact N-OD2 2.91Å; H163-D167 PolarHBondContact O-N 3.48Å; T164-D167 PolarHBondContact O-N 2.96Å; D167-Y169 VanDerWaalsContact C-N 3.32Å; D167-Y169 PolarHBondContact O-N 3.11Å; D167-N170 PolarHBondContact O-N 2.69Å; D167-T171 PolarHBondContact O-N 2.97Å; D167-T171 VanDerWaalsContact O-N 3.08Å; D167-T171 PolarHBondContact O-OG1 2.88Å; D167-W202 HydrophobicContact CB-CH2 4.07Å; D167-W202 HydrophobicContact CB-CZ2 3.69Å; D167-G252 VanDerWaalsContact OD1-CA 3.27Å; D167-G252 WeakPolarHBondContact OD1-CA 3.36Å; D167-G252 PolarHBondContact OD1-N 3.41Å
168L97.2Very high94.6Very high0 Ų013.4 Ų13.40%07%0.068CC..Hα-helixtrans-61.9-40.6176-75.2170.9000111.8T164 M165 T171 F172 I201 W202 L205 F206 F284T164-L168 HydrophobicContact CG2-CD1 3.89Å; T164-L168 HydrophobicContact CG2-CG 4.33Å; T164-L168 WeakPolarHBondContact O-CB 3.22Å; T164-L168 VanDerWaalsContact O-CG 3.22Å; T164-L168 WeakPolarHBondContact O-CG 3.26Å; T164-L168 PolarHBondContact O-N 2.8Å; M165-L168 HydrophobicContact SD-CD1 4.31Å; L168-T171 PolarHBondContact O-N 2.93Å; L168-F172 WeakPolarHBondContact O-CB 3.24Å; L168-F172 PolarHBondContact O-N 2.81Å; L168-I201 HydrophobicContact CD1-CB 4.35Å; L168-I201 HydrophobicContact CD1-CG2 3.44Å; L168-I201 VanDerWaalsContact CD1-CG2 3.44Å; L168-I201 HydrophobicContact CD2-CG2 4.4Å; L168-W202 HydrophobicContact CD2-CD2 3.65Å; L168-W202 HydrophobicContact CD2-CE3 3.87Å; L168-W202 HydrophobicContact CD2-CG 4.21Å; L168-W202 HydrophobicContact CD2-CH2 3.92Å; L168-W202 HydrophobicContact CD2-CZ2 3.73Å; L168-W202 HydrophobicContact CD2-CZ3 4Å; L168-W202 HydrophobicContact CG-CH2 4.35Å; L168-W202 HydrophobicContact CG-CZ2 3.88Å; L168-L205 HydrophobicContact CD1-CD1 4.26Å; L168-L205 HydrophobicContact CD2-CD1 3.88Å; L168-F206 HydrophobicContact CD2-CE2 3.83Å; L168-F206 HydrophobicContact CD2-CZ 4.36Å; L168-F284 HydrophobicContact CB-CE2 4.28Å; L168-F284 HydrophobicContact CB-CZ 4.07Å
169Y95.6Very high94.4Very high1 Ų118.7 Ų18.70%0.00410%0.097CC..Hα-helixtrans-65.4-44.1178.6-176.8-100.1000112.3M165 T166 D167 T171 F172 I173 S255 P256 L257 M279 I281 F284M165-Y169 VanDerWaalsContact O-CB 3.23Å; M165-Y169 WeakPolarHBondContact O-CB 3.48Å; M165-Y169 PolarHBondContact O-N 2.92Å; T166-Y169 PolarHBondContact O-N 3.04Å; D167-Y169 VanDerWaalsContact C-N 3.32Å; D167-Y169 PolarHBondContact O-N 3.11Å; Y169-T171 VanDerWaalsContact C-N 3.28Å; Y169-T171 PolarHBondContact O-N 3.22Å; Y169-F172 WeakPolarHBondContact O-CB 3.16Å; Y169-F172 PolarHBondContact O-N 2.72Å; Y169-I173 HydrophobicContact CD1-CD1 3.81Å; Y169-I173 HydrophobicContact CD1-CG1 4.16Å; Y169-I173 HydrophobicContact CE1-CD1 3.12Å; Y169-I173 HydrophobicContact CE1-CG1 3.88Å; Y169-I173 HydrophobicContact CE2-CD1 4.21Å; Y169-I173 HydrophobicContact CE2-CG1 4.38Å; Y169-I173 PolarHBondContact O-N 2.71Å; Y169-S255 WeakPolarHBondContact CD1-OG 3.36Å; Y169-P256 HydrophobicContact CE1-CB 4.12Å; Y169-P256 HydrophobicContact CE1-CG 4.1Å; Y169-L257 HydrophobicContact CD1-CD1 4.03Å; Y169-L257 HydrophobicContact CD1-CG 3.67Å; Y169-L257 HydrophobicContact CD2-CD1 3.64Å; Y169-L257 HydrophobicContact CD2-CD2 4.37Å; Y169-L257 HydrophobicContact CD2-CG 3.95Å; Y169-L257 HydrophobicContact CE1-CD2 4.2Å; Y169-L257 HydrophobicContact CE1-CG 3.81Å; Y169-L257 HydrophobicContact CE2-CD1 4.2Å; Y169-L257 HydrophobicContact CE2-CD2 4.1Å; Y169-L257 HydrophobicContact CE2-CG 4.12Å; Y169-L257 HydrophobicContact CG-CD1 3.48Å; Y169-L257 VanDerWaalsContact CG-CD1 3.48Å; Y169-L257 HydrophobicContact CG-CG 3.66Å; Y169-M279 VanDerWaalsContact OH-CB 3.25Å; Y169-M279 WeakPolarHBondContact OH-CB 3.33Å; Y169-M279 PolarHBondContact OH-O 3.47Å; Y169-I281 HydrophobicContact CE2-CD1 3.95Å; Y169-F284 HydrophobicContact CD2-CB 3.98Å; Y169-F284 AromaticContact CD2-CD1 3.56Å; Y169-F284 HydrophobicContact CD2-CD1 3.56Å; Y169-F284 AromaticContact CD2-CD2 3.97Å; Y169-F284 HydrophobicContact CD2-CD2 3.97Å; Y169-F284 AromaticContact CD2-CE1 3.9Å; Y169-F284 HydrophobicContact CD2-CE1 3.9Å; Y169-F284 HydrophobicContact CD2-CE2 4.3Å; Y169-F284 AromaticContact CD2-CG 3.56Å; Y169-F284 HydrophobicContact CD2-CG 3.56Å; Y169-F284 HydrophobicContact CD2-CZ 4.25Å; Y169-F284 HydrophobicContact CE2-CB 4.07Å; Y169-F284 HydrophobicContact CE2-CD1 4.22Å; Y169-F284 HydrophobicContact CE2-CG 4.15Å
170N94.3Very high94.3Very high0 Ų018.7 Ų18.70%09%0.094CC..Hα-helixtrans-63.2-38.4176.1-75.75.5000111.7T166 D167 T174 V249 P250 Y251 S255T166-N170 PolarHBondContact O-N 2.75Å; D167-N170 PolarHBondContact O-N 2.69Å; N170-T174 WeakPolarHBondContact O-CB 3.32Å; N170-T174 PolarHBondContact O-N 3.25Å; N170-T174 PolarHBondContact O-OG1 2.71Å; N170-V249 HydrophobicContact CB-CG1 4.05Å; N170-P250 WeakPolarHBondContact CB-O 3.23Å; N170-P250 PolarHBondContact ND2-O 2.9Å; N170-Y251 PolarHBondContact ND2-O 3.08Å; N170-S255 WeakPolarHBondContact ND2-CA 3.25Å; N170-S255 PolarHBondContact ND2-N 2.85Å; N170-S255 WeakPolarHBondContact OD1-CA 3.17Å; N170-S255 WeakPolarHBondContact OD1-CB 3.28Å; N170-S255 PolarHBondContact OD1-OG 3.12Å
171T96.3Very high94.3Very high0 Ų019.7 Ų19.70%010%0.101CC..Hα-helixtrans-63.1-44.8173.8-54.40000110.9L151 D167 L168 Y169 T174 I175 I187 W202 F206L151-T171 HydrophobicContact CD2-CG2 3.99Å; D167-T171 PolarHBondContact O-N 2.97Å; D167-T171 VanDerWaalsContact O-N 3.08Å; D167-T171 PolarHBondContact O-OG1 2.88Å; L168-T171 PolarHBondContact O-N 2.93Å; Y169-T171 VanDerWaalsContact C-N 3.28Å; Y169-T171 PolarHBondContact O-N 3.22Å; T171-T174 WeakPolarHBondContact O-CB 3.23Å; T171-T174 PolarHBondContact O-N 2.99Å; T171-I175 HydrophobicContact CG2-CD1 4.25Å; T171-I175 WeakPolarHBondContact O-CD1 3.4Å; T171-I175 VanDerWaalsContact O-CG1 3.3Å; T171-I175 WeakPolarHBondContact O-CG1 3.42Å; T171-I175 PolarHBondContact O-N 3.4Å; T171-I187 HydrophobicContact CG2-CD1 3.95Å; T171-W202 HydrophobicContact CG2-CZ3 4.3Å; T171-F206 HydrophobicContact CG2-CE1 3.78Å; T171-F206 HydrophobicContact CG2-CE2 4.34Å; T171-F206 HydrophobicContact CG2-CZ 3.47Å; T171-F206 VanDerWaalsContact CG2-CZ 3.47Å
172F95.5Very high94.2Very high6 Ų620.4 Ų20.43%0.02611%0.105CC..Hα-helixtrans-62.7-47.8176.5166.6-99.9000112.8L168 Y169 T174 I175 K176 E283 F284 F287L168-F172 WeakPolarHBondContact O-CB 3.24Å; L168-F172 PolarHBondContact O-N 2.81Å; Y169-F172 WeakPolarHBondContact O-CB 3.16Å; Y169-F172 PolarHBondContact O-N 2.72Å; F172-T174 VanDerWaalsContact C-N 3.27Å; F172-T174 PolarHBondContact O-N 2.97Å; F172-I175 WeakPolarHBondContact O-CB 3.32Å; F172-I175 PolarHBondContact O-N 2.75Å; F172-K176 HydrophobicContact CD1-CG 4.44Å; F172-K176 HydrophobicContact CD2-CG 4.34Å; F172-K176 HydrophobicContact CE1-CG 3.95Å; F172-K176 HydrophobicContact CE2-CD 4.26Å; F172-K176 VanDerWaalsContact CE2-CE 3.41Å; F172-K176 HydrophobicContact CE2-CG 3.84Å; F172-K176 HydrophobicContact CZ-CD 4.13Å; F172-K176 VanDerWaalsContact CZ-CE 3.44Å; F172-K176 HydrophobicContact CZ-CG 3.62Å; F172-K176 WeakPolarHBondContact O-CG 3.28Å; F172-K176 PolarHBondContact O-N 2.55Å; F172-E283 HydrophobicContact CE1-CB 4.44Å; F172-E283 HydrophobicContact CZ-CB 3.75Å; F172-F284 HydrophobicContact CB-CD2 3.7Å; F172-F284 HydrophobicContact CB-CE2 3.96Å; F172-F284 HydrophobicContact CD1-CB 3.8Å; F172-F284 AromaticContact CD1-CD2 3.64Å; F172-F284 HydrophobicContact CD1-CD2 3.64Å; F172-F284 HydrophobicContact CD1-CG 4.12Å; F172-F284 HydrophobicContact CD2-CD2 4.27Å; F172-F284 HydrophobicContact CE1-CB 3.67Å; F172-F284 HydrophobicContact CE1-CD2 4.32Å; F172-F284 HydrophobicContact CE1-CG 4.48Å; F172-F284 HydrophobicContact CG-CB 4.47Å; F172-F284 AromaticContact CG-CD2 3.6Å; F172-F284 HydrophobicContact CG-CD2 3.6Å; F172-F284 HydrophobicContact CG-CE2 4.35Å; F172-F284 HydrophobicContact CG-CG 4.49Å; F172-F284 HydrophobicContact CZ-CB 4.25Å; F172-F287 HydrophobicContact CB-CD1 4.21Å; F172-F287 HydrophobicContact CB-CE1 4.29Å; F172-F287 HydrophobicContact CD2-CB 3.77Å; F172-F287 AromaticContact CD2-CD1 3.63Å; F172-F287 HydrophobicContact CD2-CD1 3.63Å; F172-F287 HydrophobicContact CD2-CD2 4.24Å; F172-F287 HydrophobicContact CD2-CE1 4.26Å; F172-F287 AromaticContact CD2-CG 3.6Å; F172-F287 HydrophobicContact CD2-CG 3.6Å; F172-F287 HydrophobicContact CE2-CB 3.61Å; F172-F287 HydrophobicContact CE2-CD1 4.37Å; F172-F287 AromaticContact CE2-CG 3.95Å; F172-F287 HydrophobicContact CE2-CG 3.95Å; F172-F287 HydrophobicContact CG-CD1 4.18Å
173I91.7Very high94Very high0 Ų024.7 Ų24.70%013%0.128CC..Hα-helixtrans-61-40.3176.4-77.5-164.6000110.2F58 Y169 I175 K176 L177F58-I173 HydrophobicContact CD1-CD1 4.15Å; F58-I173 HydrophobicContact CD1-CG2 4.07Å; F58-I173 HydrophobicContact CE1-CD1 4.11Å; Y169-I173 HydrophobicContact CD1-CD1 3.81Å; Y169-I173 HydrophobicContact CD1-CG1 4.16Å; Y169-I173 HydrophobicContact CE1-CD1 3.12Å; Y169-I173 HydrophobicContact CE1-CG1 3.88Å; Y169-I173 HydrophobicContact CE2-CD1 4.21Å; Y169-I173 HydrophobicContact CE2-CG1 4.38Å; Y169-I173 PolarHBondContact O-N 2.71Å; I173-I175 VanDerWaalsContact C-N 3.33Å; I173-I175 PolarHBondContact O-N 3.33Å; I173-K176 PolarHBondContact O-N 3.35Å; I173-K176 VanDerWaalsContact O-N 3.12Å; I173-L177 HydrophobicContact CG2-CD1 3.38Å; I173-L177 HydrophobicContact CG2-CG 3.9Å; I173-L177 WeakPolarHBondContact O-CB 3.35Å; I173-L177 VanDerWaalsContact O-CG 3.29Å; I173-L177 WeakPolarHBondContact O-CG 3.5Å; I173-L177 PolarHBondContact O-N 2.84Å
174T93.4Very high93.9Very high0 Ų026.7 Ų26.70%014%0.14CC..Hα-helixtrans-57.6-47.1175.3-61.80000111.5I62 L151 N170 T171 F172 K176 L177 L178 V247 V249I62-T174 HydrophobicContact CD1-CG2 4.19Å; I62-T174 WeakPolarHBondContact CD1-OG1 3.46Å; I62-T174 HydrophobicContact CG1-CG2 4.46Å; I62-T174 HydrophobicContact CG2-CG2 3.89Å; L151-T174 HydrophobicContact CD2-CG2 4.24Å; N170-T174 WeakPolarHBondContact O-CB 3.32Å; N170-T174 PolarHBondContact O-N 3.25Å; N170-T174 PolarHBondContact O-OG1 2.71Å; T171-T174 WeakPolarHBondContact O-CB 3.23Å; T171-T174 PolarHBondContact O-N 2.99Å; F172-T174 VanDerWaalsContact C-N 3.27Å; F172-T174 PolarHBondContact O-N 2.97Å; T174-K176 VanDerWaalsContact C-N 3.3Å; T174-K176 PolarHBondContact O-N 3.27Å; T174-L177 PolarHBondContact O-N 2.76Å; T174-L178 HydrophobicContact CG2-CD1 3.73Å; T174-L178 HydrophobicContact CG2-CG 4.47Å; T174-L178 WeakPolarHBondContact O-CB 3.1Å; T174-L178 WeakPolarHBondContact O-CG 3.37Å; T174-L178 PolarHBondContact O-N 3.31Å; T174-V247 HydrophobicContact CG2-CG1 3.6Å; T174-V249 HydrophobicContact CG2-CG2 4.2Å
175I93.7Very high93.9Very high9 Ų926.6 Ų26.65%0.04614%0.139CC..Hα-helixtrans-60.2-42.1175.9-67.7161.6000110.9L151 T171 F172 I173 N179 L180 I182 I185 F206L151-I175 HydrophobicContact CD2-CG1 4.27Å; T171-I175 HydrophobicContact CG2-CD1 4.25Å; T171-I175 WeakPolarHBondContact O-CD1 3.4Å; T171-I175 VanDerWaalsContact O-CG1 3.3Å; T171-I175 WeakPolarHBondContact O-CG1 3.42Å; T171-I175 PolarHBondContact O-N 3.4Å; F172-I175 WeakPolarHBondContact O-CB 3.32Å; F172-I175 PolarHBondContact O-N 2.75Å; I173-I175 VanDerWaalsContact C-N 3.33Å; I173-I175 PolarHBondContact O-N 3.33Å; I175-N179 PolarHBondContact O-N 3.5Å; I175-L180 HydrophobicContact CB-CB 4.49Å; I175-L180 HydrophobicContact CG2-CB 4.03Å; I175-L180 VanDerWaalsContact CG2-O 3.23Å; I175-L180 WeakPolarHBondContact CG2-O 3.45Å; I175-L180 PolarHBondContact O-N 3.31Å; I175-I182 HydrophobicContact CD1-CD1 3.82Å; I175-I185 HydrophobicContact CD1-CD1 3.47Å; I175-I185 VanDerWaalsContact CD1-CD1 3.47Å; I175-I185 HydrophobicContact CG1-CD1 3.93Å; I175-F206 HydrophobicContact CD1-CD1 4.46Å; I175-F206 HydrophobicContact CD1-CE1 3.72Å
176K89.9Confident93.9Very high99 Ų9926.8 Ų26.843%0.4314%0.14SC..Hα-helixtrans-66.8-48.2179.6-74-68.6-179.8-179.80112.9F172 I173 T174 L178 N179F172-K176 HydrophobicContact CD1-CG 4.44Å; F172-K176 HydrophobicContact CD2-CG 4.34Å; F172-K176 HydrophobicContact CE1-CG 3.95Å; F172-K176 HydrophobicContact CE2-CD 4.26Å; F172-K176 VanDerWaalsContact CE2-CE 3.41Å; F172-K176 HydrophobicContact CE2-CG 3.84Å; F172-K176 HydrophobicContact CZ-CD 4.13Å; F172-K176 VanDerWaalsContact CZ-CE 3.44Å; F172-K176 HydrophobicContact CZ-CG 3.62Å; F172-K176 WeakPolarHBondContact O-CG 3.28Å; F172-K176 PolarHBondContact O-N 2.55Å; I173-K176 PolarHBondContact O-N 3.35Å; I173-K176 VanDerWaalsContact O-N 3.12Å; T174-K176 VanDerWaalsContact C-N 3.3Å; T174-K176 PolarHBondContact O-N 3.27Å; K176-L178 VanDerWaalsContact C-N 3.33Å; K176-L178 PolarHBondContact O-N 2.75Å; K176-N179 PolarHBondContact O-N 2.69Å
177L86.9Confident94Very high47 Ų4726.8 Ų26.825%0.24614%0.14CC..Hα-helixtrans-66.1-36.9-177.7-69.3171.6000112.3F58 I62 I173 T174 N179F58-L177 HydrophobicContact CB-CD1 3.41Å; F58-L177 VanDerWaalsContact CB-CD1 3.41Å; F58-L177 HydrophobicContact CB-CD2 4.04Å; F58-L177 HydrophobicContact CB-CG 4.36Å; F58-L177 HydrophobicContact CD1-CD1 4.4Å; F58-L177 HydrophobicContact CD2-CD2 3.82Å; F58-L177 HydrophobicContact CE2-CD2 4.43Å; F58-L177 HydrophobicContact CG-CD1 3.96Å; F58-L177 HydrophobicContact CG-CD2 3.9Å; F58-L177 HydrophobicContact CG-CG 4.49Å; I62-L177 HydrophobicContact CD1-CD1 3.63Å; I173-L177 HydrophobicContact CG2-CD1 3.38Å; I173-L177 HydrophobicContact CG2-CG 3.9Å; I173-L177 WeakPolarHBondContact O-CB 3.35Å; I173-L177 VanDerWaalsContact O-CG 3.29Å; I173-L177 WeakPolarHBondContact O-CG 3.5Å; I173-L177 PolarHBondContact O-N 2.84Å; T174-L177 PolarHBondContact O-N 2.76Å; L177-N179 PolarHBondContact O-N 2.81Å
178L89.9Confident94.1Very high13 Ų1326.7 Ų26.77%0.06814%0.139CC..THydrogen-bonded Turntrans-86.87.6178.3-60.2178.3000112.9I46 Y56 I62 V64 T174 K176 L180 V247I46-L178 HydrophobicContact CD1-CB 4.12Å; I46-L178 HydrophobicContact CD1-CD1 3.83Å; I46-L178 HydrophobicContact CD1-CD2 4.21Å; I46-L178 HydrophobicContact CD1-CG 4.28Å; I46-L178 HydrophobicContact CG1-CB 4.36Å; Y56-L178 HydrophobicContact CD1-CD2 3.84Å; Y56-L178 HydrophobicContact CD2-CD2 3.59Å; Y56-L178 HydrophobicContact CE1-CD2 3.69Å; Y56-L178 HydrophobicContact CE2-CD2 3.46Å; Y56-L178 VanDerWaalsContact CE2-CD2 3.46Å; Y56-L178 HydrophobicContact CG-CD2 3.8Å; I62-L178 HydrophobicContact CG2-CD1 4.2Å; V64-L178 HydrophobicContact CG2-CD1 4.1Å; V64-L178 HydrophobicContact CG2-CD2 4.03Å; T174-L178 HydrophobicContact CG2-CD1 3.73Å; T174-L178 HydrophobicContact CG2-CG 4.47Å; T174-L178 WeakPolarHBondContact O-CB 3.1Å; T174-L178 WeakPolarHBondContact O-CG 3.37Å; T174-L178 PolarHBondContact O-N 3.31Å; K176-L178 VanDerWaalsContact C-N 3.33Å; K176-L178 PolarHBondContact O-N 2.75Å; L178-L180 HydrophobicContact CB-CD1 3.84Å; L178-L180 HydrophobicContact CB-CD2 4.27Å; L178-L180 HydrophobicContact CB-CG 3.67Å; L178-L180 HydrophobicContact CD1-CD1 4.17Å; L178-L180 VanDerWaalsContact O-CD2 3.31Å; L178-L180 WeakPolarHBondContact O-CD2 3.41Å; L178-L180 WeakPolarHBondContact O-CG 3.43Å; L178-L180 PolarHBondContact O-N 2.84Å; L178-V247 HydrophobicContact CD1-CB 4.49Å; L178-V247 HydrophobicContact CD1-CG1 3.74Å; L178-V247 HydrophobicContact CD1-CG2 3.9Å
179N90.7Very high94.1Very high117 Ų11726.9 Ų26.963%0.62614%0.14SC*.THydrogen-bonded Turntrans50.242.1-177.8-166.135.1000113.6I175 K176 L177I175-N179 PolarHBondContact O-N 3.5Å; K176-N179 PolarHBondContact O-N 2.69Å; L177-N179 PolarHBondContact O-N 2.81Å
180L93.4Very high94.1Very high21 Ų2126.8 Ų26.811%0.1114%0.14CC..  trans-93.4162.9-178.2-54.1-179000111.6I46 I149 L151 I175 L178 I185I46-L180 HydrophobicContact CD1-CD2 4.39Å; I46-L180 HydrophobicContact CG1-CD2 4.14Å; I149-L180 HydrophobicContact CD1-CD1 4.1Å; I149-L180 HydrophobicContact CD1-CD2 3.44Å; I149-L180 VanDerWaalsContact CD1-CD2 3.44Å; I149-L180 HydrophobicContact CD1-CG 4.42Å; I149-L180 HydrophobicContact CG2-CD1 4.36Å; L151-L180 HydrophobicContact CD1-CD1 4.46Å; I175-L180 HydrophobicContact CB-CB 4.49Å; I175-L180 HydrophobicContact CG2-CB 4.03Å; I175-L180 VanDerWaalsContact CG2-O 3.23Å; I175-L180 WeakPolarHBondContact CG2-O 3.45Å; I175-L180 PolarHBondContact O-N 3.31Å; L178-L180 HydrophobicContact CB-CD1 3.84Å; L178-L180 HydrophobicContact CB-CD2 4.27Å; L178-L180 HydrophobicContact CB-CG 3.67Å; L178-L180 HydrophobicContact CD1-CD1 4.17Å; L178-L180 VanDerWaalsContact O-CD2 3.31Å; L178-L180 WeakPolarHBondContact O-CD2 3.41Å; L178-L180 WeakPolarHBondContact O-CG 3.43Å; L178-L180 PolarHBondContact O-N 2.84Å; L180-I185 HydrophobicContact CB-CG2 4.08Å; L180-I185 HydrophobicContact CD1-CG2 3.83Å
181T94.3Very high94.2Very high66 Ų6626.8 Ų26.841%0.40514%0.14SC..  trans-118.1155.8169.475.30000110.3N183 N184T181-N183 PolarHBondContact O-N 3.23Å; T181-N183 VanDerWaalsContact O-N 3.13Å; T181-N184 PolarHBondContact O-N 3.18Å; T181-N184 VanDerWaalsContact OG1-CG 3.3Å; T181-N184 PolarHBondContact OG1-ND2 3.43Å; T181-N184 PolarHBondContact OG1-OD1 3.14Å
182I94.4Very high94.2Very high30 Ų3026.8 Ų26.815%0.15414%0.14CC..G310 helixtrans-56.9-30177.6-59.7-64.5000112.4I175 N184 I185 F206 K207 F287I175-I182 HydrophobicContact CD1-CD1 3.82Å; I182-N184 VanDerWaalsContact C-N 3.28Å; I182-N184 PolarHBondContact O-N 2.97Å; I182-I185 HydrophobicContact CD1-CD1 4.29Å; I182-I185 WeakPolarHBondContact O-CG1 3.41Å; I182-F206 HydrophobicContact CD1-CD1 3.67Å; I182-F206 HydrophobicContact CD1-CE1 3.84Å; I182-K207 HydrophobicContact CG2-CD 4.25Å; I182-K207 HydrophobicContact CG2-CG 4.09Å; I182-F287 HydrophobicContact CD1-CE2 3.5Å; I182-F287 HydrophobicContact CD1-CZ 3.86Å; I182-F287 HydrophobicContact CG1-CE2 3.95Å
183N94.4Very high94.2Very high94 Ų9426.5 Ų26.550%0.50314%0.139SC..G310 helixtrans-72.1-24.8179-63.4-21.7000112.5K148 T181 K207K148-N183 WeakPolarHBondContact CE-O 3.04Å; T181-N183 PolarHBondContact O-N 3.23Å; T181-N183 VanDerWaalsContact O-N 3.13Å; N183-K207 PolarHBondContact OD1-NZ 2.97Å
184N93.6Very high94.3Very high52 Ų5226.5 Ų26.528%0.27814%0.139SC..G310 helixtrans-96.67.2-174.3-62.1-4.1000112.9K148 I149 T181 I182K148-N184 WeakPolarHBondContact CA-O 3.41Å; K148-N184 WeakPolarHBondContact CB-O 3.2Å; I149-N184 PolarHBondContact N-O 3.19Å; T181-N184 PolarHBondContact O-N 3.18Å; T181-N184 VanDerWaalsContact OG1-CG 3.3Å; T181-N184 PolarHBondContact OG1-ND2 3.43Å; T181-N184 PolarHBondContact OG1-OD1 3.14Å; I182-N184 VanDerWaalsContact C-N 3.28Å; I182-N184 PolarHBondContact O-N 2.97Å
185I97.2Very high94.2Very high1 Ų128.5 Ų28.51%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-123.1151.2-177.464.4160.7000113.5K148 I149 L151 I175 L180 I182 F206 S209K148-I185 WeakPolarHBondContact CD-O 3.4Å; I149-I185 CarbonylContact O-C 3.53Å; I149-I185 VanDerWaalsContact O-CA 3.27Å; I149-I185 WeakPolarHBondContact O-CA 3.19Å; L151-I185 HydrophobicContact CD1-CB 4.23Å; L151-I185 HydrophobicContact CD1-CG2 3.99Å; L151-I185 HydrophobicContact CD2-CD1 4.4Å; I175-I185 HydrophobicContact CD1-CD1 3.47Å; I175-I185 VanDerWaalsContact CD1-CD1 3.47Å; I175-I185 HydrophobicContact CG1-CD1 3.93Å; L180-I185 HydrophobicContact CB-CG2 4.08Å; L180-I185 HydrophobicContact CD1-CG2 3.83Å; I182-I185 HydrophobicContact CD1-CD1 4.29Å; I182-I185 WeakPolarHBondContact O-CG1 3.41Å; I185-F206 HydrophobicContact CD1-CD1 3.83Å; I185-F206 HydrophobicContact CD1-CE1 4.18Å; I185-S209 PolarHBondContact O-OG 2.91Å
186H97.6Very high94.1Very high5 Ų528.7 Ų28.72%0.02315%0.153CC..EExtended strand (participates in β ladder)trans-128.3133.7167.1-172.984.8000109K148 I149 V150 L151 S209 T211 L232K148-H186 HydrophobicContact CB-CB 4.36Å; K148-H186 HydrophobicContact CD-CB 4.41Å; I149-H186 PolarHBondContact O-N 2.79Å; V150-H186 CarbonylContact C-O 3.58Å; V150-H186 VanDerWaalsContact CA-O 3.28Å; V150-H186 WeakPolarHBondContact CA-O 3.46Å; L151-H186 PolarHBondContact N-O 3.23Å; H186-S209 WeakPolarHBondContact CA-O 3.3Å; H186-S209 PolarHBondContact ND1-OG 2.89Å; H186-T211 WeakPolarHBondContact NE2-CG2 3.23Å; H186-T211 PolarHBondContact NE2-OG1 3.3Å; H186-L232 HydrophobicContact CB-CD2 4.35Å
187I97.9Very high94.1Very high0 Ų029.1 Ų29.10%016%0.16CC..EExtended strand (participates in β ladder)trans-100.6128.2178.3-63.2174.5000109.4L151 V153 T171 I189 W202 F206 S209 I210 T211L151-I187 HydrophobicContact CB-CG1 4.21Å; L151-I187 CarbonylContact O-C 3.51Å; L151-I187 WeakPolarHBondContact O-CA 3.42Å; V153-I187 HydrophobicContact CB-CG2 4.11Å; V153-I187 HydrophobicContact CG2-CG2 3.93Å; T171-I187 HydrophobicContact CG2-CD1 3.95Å; I187-I189 HydrophobicContact CG2-CD1 3.66Å; I187-I189 HydrophobicContact CG2-CG1 4.17Å; I187-W202 HydrophobicContact CD1-CE3 4.18Å; I187-W202 HydrophobicContact CD1-CZ3 4.13Å; I187-F206 HydrophobicContact CD1-CB 4.1Å; I187-F206 HydrophobicContact CD1-CD1 3.59Å; I187-F206 HydrophobicContact CD1-CD2 3.41Å; I187-F206 VanDerWaalsContact CD1-CD2 3.41Å; I187-F206 HydrophobicContact CD1-CE1 3.8Å; I187-F206 HydrophobicContact CD1-CE2 3.63Å; I187-F206 HydrophobicContact CD1-CG 3.39Å; I187-F206 HydrophobicContact CD1-CZ 3.82Å; I187-S209 PolarHBondContact N-O 3.45Å; I187-I210 HydrophobicContact CB-CG1 4.21Å; I187-I210 HydrophobicContact CB-CG2 4.25Å; I187-I210 HydrophobicContact CG2-CG2 4.29Å; I187-I210 CarbonylContact O-C 3.53Å; I187-I210 VanDerWaalsContact O-CA 3.28Å; I187-I210 WeakPolarHBondContact O-CA 3.26Å; I187-T211 PolarHBondContact O-N 3.15Å
188I97.5Very high94.5Very high0 Ų027.9 Ų27.90%015%0.154CC..EExtended strand (participates in β ladder)trans-99.9112.8160.9-59.2176.2000107.4I70 V150 L151 L152 V153 A190 T211 I213 L232 I243I70-I188 HydrophobicContact CD1-CD1 4.22Å; V150-I188 HydrophobicContact CG1-CD1 3.55Å; V150-I188 HydrophobicContact CG1-CG1 3.69Å; L151-I188 PolarHBondContact O-N 2.91Å; L152-I188 HydrophobicContact CD1-CB 3.88Å; L152-I188 HydrophobicContact CD1-CG2 3.83Å; V153-I188 PolarHBondContact N-O 2.9Å; I188-A190 PolarHBondContact O-N 2.81Å; I188-T211 CarbonylContact C-O 3.59Å; I188-T211 WeakPolarHBondContact CA-O 3.33Å; I188-I213 HydrophobicContact CG2-CB 3.91Å; I188-I213 HydrophobicContact CG2-CD1 4.23Å; I188-L232 HydrophobicContact CD1-CD1 3.69Å; I188-L232 HydrophobicContact CG1-CD1 4Å; I188-I243 HydrophobicContact CD1-CD1 4.37Å
189I97.2Very high94.7Very high3 Ų327.6 Ų27.62%0.01515%0.152CC..EExtended strand (participates in β ladder)trans-73.1115.2169.7-61.3-61.3000108.3V153 R155 I187 D191 W202 I210 T211 R212 I213V153-I189 HydrophobicContact CB-CD1 4.29Å; V153-I189 HydrophobicContact CG1-CD1 4.31Å; V153-I189 CarbonylContact O-C 3.51Å; V153-I189 WeakPolarHBondContact O-CA 3.37Å; R155-I189 HydrophobicContact CG-CD1 4.37Å; I187-I189 HydrophobicContact CG2-CD1 3.66Å; I187-I189 HydrophobicContact CG2-CG1 4.17Å; I189-D191 VanDerWaalsContact CG2-CG 3.5Å; I189-D191 WeakPolarHBondContact CG2-OD2 3.47Å; I189-W202 HydrophobicContact CD1-CE3 4.23Å; I189-W202 HydrophobicContact CD1-CZ3 4.45Å; I189-I210 HydrophobicContact CD1-CG2 4.39Å; I189-I210 HydrophobicContact CG1-CG2 3.69Å; I189-T211 PolarHBondContact N-O 2.98Å; I189-R212 HydrophobicContact CB-CG 4.01Å; I189-R212 HydrophobicContact CG2-CG 4.32Å; I189-R212 WeakPolarHBondContact O-CA 3.4Å; I189-I213 PolarHBondContact O-N 2.59Å
190A97.1Very high94.9Very high0 Ų026.3 Ų26.30%014%0.142CC..  trans-102.943.8-174.200000111.6F99 F127 L152 V153 T154 I188F99-A190 HydrophobicContact CZ-CB 3.92Å; F99-A190 WeakPolarHBondContact CZ-O 3.3Å; F127-A190 HydrophobicContact CE1-CB 4.32Å; F127-A190 HydrophobicContact CZ-CB 3.69Å; L152-A190 HydrophobicContact CD1-CB 3.67Å; L152-A190 HydrophobicContact CG-CB 3.91Å; V153-A190 PolarHBondContact O-N 2.97Å; T154-A190 PolarHBondContact OG1-O 2.79Å; I188-A190 PolarHBondContact O-N 2.81Å
191D96.2Very high95Very high0 Ų025.3 Ų25.30%014%0.137CC..SBendtrans-133.8159.117063.269.2000109.9T154 R155 I189 H193 R212T154-D191 HydrophobicContact CG2-CB 4.41Å; R155-D191 VanDerWaalsContact CB-OD2 3.25Å; R155-D191 WeakPolarHBondContact CB-OD2 3.48Å; R155-D191 WeakPolarHBondContact CG-OD2 3.35Å; R155-D191 IonicContact CZ-OD1 2.81Å; R155-D191 IonicContact CZ-OD2 3.78Å; R155-D191 PolarHBondContact N-OD2 2.99Å; R155-D191 IonicContact NE-OD1 3.82Å; R155-D191 IonicContact NE-OD2 3.81Å; R155-D191 PolarHBondContact NE-OD2 2.9Å; R155-D191 IonicContact NH2-OD1 3.06Å; R155-D191 PolarHBondContact NH2-OD1 3.36Å; R155-D191 IonicContact NH2-OD2 3.86Å; I189-D191 VanDerWaalsContact CG2-CG 3.5Å; I189-D191 WeakPolarHBondContact CG2-OD2 3.47Å; D191-H193 WeakPolarHBondContact OD1-CB 3.46Å; D191-H193 IonicContact OD1-CD2 3.22Å; D191-H193 PolarHBondContact OD1-CD2 3.1Å; D191-H193 VanDerWaalsContact OD1-CD2 3.22Å; D191-H193 IonicContact OD1-CG 3.83Å; D191-H193 PolarHBondContact OD1-N 3.01Å; D191-H193 VanDerWaalsContact OD1-N 3.15Å; D191-H193 IonicContact OD2-CD2 3.77Å; D191-R212 IonicContact OD1-NH1 3.23Å
192G95.1Very high95.2Very high0 Ų022.4 Ų22.40%012%0.119CC..  trans-101.125.3176.900000112.3A78 G80 E95A78-G192 VanDerWaalsContact CB-O 3.3Å; A78-G192 WeakPolarHBondContact CB-O 3.49Å; G80-G192 VanDerWaalsContact CA-C 3.45Å; G80-G192 WeakPolarHBondContact CA-O 3.21Å; E95-G192 WeakPolarHBondContact O-CA 3.26Å; E95-G192 PolarHBondContact O-N 3.37Å
193H95.6Very high95.2Very high0 Ų024.2 Ų24.20%012%0.124CC..  trans-67.3144179.7-67.1-54.8000110.9G80 G81 E95 R155 Y158 D191 R212G80-H193 CarbonylContact C-O 3.58Å; G80-H193 VanDerWaalsContact CA-O 3.32Å; G80-H193 WeakPolarHBondContact CA-O 3.35Å; G81-H193 PolarHBondContact N-O 3.17Å; E95-H193 VanDerWaalsContact CB-ND1 3.3Å; E95-H193 WeakPolarHBondContact CB-ND1 3.11Å; E95-H193 IonicContact OE2-CE1 2.86Å; E95-H193 IonicContact OE2-CG 3.29Å; E95-H193 IonicContact OE2-ND1 3.67Å; E95-H193 PolarHBondContact OE2-ND1 3.19Å; R155-H193 PolarHBondContact O-NE2 2.81Å; R155-H193 VanDerWaalsContact O-NE2 3.16Å; Y158-H193 HydrophobicContact CD1-CB 3.53Å; Y158-H193 AromaticContact CD1-CD2 3.65Å; Y158-H193 AromaticContact CD1-CE1 3.74Å; Y158-H193 AromaticContact CD1-CG 3.21Å; Y158-H193 AromaticContact CD1-ND1 3.25Å; Y158-H193 VanDerWaalsContact CD1-ND1 3.25Å; Y158-H193 WeakPolarHBondContact CD1-ND1 3.46Å; Y158-H193 AromaticContact CD1-NE2 3.95Å; Y158-H193 HydrophobicContact CD2-CB 4.05Å; Y158-H193 HydrophobicContact CE1-CB 3.73Å; Y158-H193 AromaticContact CE1-CG 3.72Å; Y158-H193 AromaticContact CE1-ND1 3.54Å; Y158-H193 HydrophobicContact CE2-CB 4.24Å; Y158-H193 HydrophobicContact CG-CB 3.68Å; Y158-H193 AromaticContact CG-CD2 3.85Å; Y158-H193 AromaticContact CG-CG 3.66Å; D191-H193 WeakPolarHBondContact OD1-CB 3.46Å; D191-H193 IonicContact OD1-CD2 3.22Å; D191-H193 PolarHBondContact OD1-CD2 3.1Å; D191-H193 VanDerWaalsContact OD1-CD2 3.22Å; D191-H193 IonicContact OD1-CG 3.83Å; D191-H193 PolarHBondContact OD1-N 3.01Å; D191-H193 VanDerWaalsContact OD1-N 3.15Å; D191-H193 IonicContact OD2-CD2 3.77Å; H193-R212 PolarHBondContact O-NH1 3.5Å
194P93.9Very high95.2Very high0 Ų024.2 Ų24.20%012%0.12CC..  trans-58.7175167.4-29.340.7000112.6E82 P84 V87 E95 Y158 R212 P399E82-P194 WeakPolarHBondContact O-CA 3.36Å; E82-P194 WeakPolarHBondContact O-CB 3.36Å; P84-P194 HydrophobicContact CB-CB 3.97Å; V87-P194 HydrophobicContact CG2-CB 4.23Å; V87-P194 HydrophobicContact CG2-CG 3.6Å; E95-P194 VanDerWaalsContact OE1-CD 3.3Å; E95-P194 WeakPolarHBondContact OE1-CD 3.45Å; Y158-P194 WeakPolarHBondContact CE2-O 3.34Å; P194-R212 PolarHBondContact O-NH2 3.45Å; P194-P399 HydrophobicContact CB-CG 4.36Å; P194-P399 HydrophobicContact CG-CG 3.73Å
195L92.2Very high95.4Very high42 Ų4222 Ų2222%0.2211%0.108CC..  trans-68.3132.7169.3-67.8170.8000110G81 E82 P84 N227G81-L195 WeakPolarHBondContact O-CD1 3.48Å; G81-L195 WeakPolarHBondContact O-CG 3.33Å; E82-L195 PolarHBondContact O-N 3.16Å; P84-L195 WeakPolarHBondContact CD-O 3.41Å; P84-L195 WeakPolarHBondContact CG-O 3.37Å; L195-N227 HydrophobicContact CD1-CB 4.17Å
196G91.2Very high95.3Very high13 Ų1322 Ų2213%0.13411%0.108CC..  trans-123.5165.3171.900000111.9L198 D199G196-L198 PolarHBondContact O-N 2.87Å; G196-D199 WeakPolarHBondContact CA-OD2 3.44Å; G196-D199 PolarHBondContact N-OD2 3.43Å; G196-D199 WeakPolarHBondContact O-CB 3.34Å; G196-D199 PolarHBondContact O-N 3.14Å; G196-D199 VanDerWaalsContact O-N 3.1Å; G196-D199 VanDerWaalsContact O-OD2 3.13Å
197N90.1Very high95.2Very high108 Ų10828.1 Ų28.158%0.57813%0.134SC*.THydrogen-bonded Turntrans-63.7-14.5-178.1-64.3-10.4000113.6I434N197-I434 WeakPolarHBondContact ND2-CD1 3.12Å
198L95.3Very high95Very high21 Ų2133.3 Ų33.311%0.1116%0.162CC..THydrogen-bonded Turntrans-95.1-8.6-179.1-57.7178000113.2L161 T164 G196 E200 I201 I438L161-L198 HydrophobicContact CB-CD1 4.2Å; L161-L198 HydrophobicContact CD1-CD1 4.39Å; L161-L198 HydrophobicContact CD1-CD2 3.92Å; T164-L198 HydrophobicContact CG2-CB 4.12Å; T164-L198 HydrophobicContact CG2-CD1 4.36Å; T164-L198 VanDerWaalsContact OG1-CD1 3.27Å; T164-L198 WeakPolarHBondContact OG1-CD1 3.24Å; G196-L198 PolarHBondContact O-N 2.87Å; L198-E200 PolarHBondContact O-N 3.22Å; L198-I201 HydrophobicContact CB-CD1 4.37Å; L198-I201 HydrophobicContact CD2-CD1 3.89Å; L198-I201 WeakPolarHBondContact O-CB 3.24Å; L198-I201 PolarHBondContact O-N 3.21Å; L198-I201 VanDerWaalsContact O-N 3.14Å; L198-I438 HydrophobicContact CD2-CD1 4.14Å
199D94.5Very high94.9Very high6 Ų633.8 Ų33.83%0.03217%0.165CC..Hα-helixtrans-59.7-32173.7-77.5-93.6000111.8R155 G196 I201 W202 Y203 R212R155-D199 IonicContact CZ-OD1 3.03Å; R155-D199 IonicContact NH1-OD1 3.4Å; R155-D199 PolarHBondContact NH1-OD1 2.99Å; R155-D199 IonicContact NH1-OD2 3.94Å; R155-D199 IonicContact NH2-OD1 3.54Å; G196-D199 WeakPolarHBondContact CA-OD2 3.44Å; G196-D199 PolarHBondContact N-OD2 3.43Å; G196-D199 WeakPolarHBondContact O-CB 3.34Å; G196-D199 PolarHBondContact O-N 3.14Å; G196-D199 VanDerWaalsContact O-N 3.1Å; G196-D199 VanDerWaalsContact O-OD2 3.13Å; D199-I201 PolarHBondContact O-N 2.9Å; D199-I201 VanDerWaalsContact O-N 3.17Å; D199-W202 WeakPolarHBondContact O-CB 3.25Å; D199-W202 PolarHBondContact O-N 3.37Å; D199-Y203 HydrophobicContact CB-CD2 4.29Å; D199-Y203 HydrophobicContact CB-CE2 3.71Å; D199-Y203 WeakPolarHBondContact O-CD2 3.33Å; D199-Y203 PolarHBondContact O-N 3.49Å; D199-Y203 VanDerWaalsContact O-N 3.12Å; D199-R212 IonicContact OD1-CZ 3.53Å; D199-R212 IonicContact OD1-NH2 3.37Å; D199-R212 PolarHBondContact OD1-NH2 2.74Å; D199-R212 IonicContact OD2-NH2 2.63Å
200E93.8Very high94.8Very high91 Ų9134.2 Ų34.243%0.42517%0.167SC..Hα-helixtrans-53.3-37.6175.7-171.1-168.3158.100111.7L198 W202 Y203 K204L198-E200 PolarHBondContact O-N 3.22Å; E200-W202 PolarHBondContact O-N 2.96Å; E200-Y203 PolarHBondContact O-N 3.41Å; E200-K204 VanDerWaalsContact O-CB 3.23Å; E200-K204 WeakPolarHBondContact O-CB 3.32Å; E200-K204 PolarHBondContact O-N 3.11Å
201I97Very high94.7Very high0 Ų034.5 Ų34.50%017%0.169CC..Hα-helixtrans-61.6-46.2179.7-58.5168.9000110.5L161 L168 L198 D199 K204 L205 Y292 I438L161-I201 HydrophobicContact CD1-CD1 4.4Å; L168-I201 HydrophobicContact CD1-CB 4.35Å; L168-I201 HydrophobicContact CD1-CG2 3.44Å; L168-I201 VanDerWaalsContact CD1-CG2 3.44Å; L168-I201 HydrophobicContact CD2-CG2 4.4Å; L198-I201 HydrophobicContact CB-CD1 4.37Å; L198-I201 HydrophobicContact CD2-CD1 3.89Å; L198-I201 WeakPolarHBondContact O-CB 3.24Å; L198-I201 PolarHBondContact O-N 3.21Å; L198-I201 VanDerWaalsContact O-N 3.14Å; D199-I201 PolarHBondContact O-N 2.9Å; D199-I201 VanDerWaalsContact O-N 3.17Å; I201-K204 PolarHBondContact O-N 3.15Å; I201-L205 HydrophobicContact CG2-CD1 3.47Å; I201-L205 VanDerWaalsContact CG2-CD1 3.47Å; I201-L205 HydrophobicContact CG2-CG 4.04Å; I201-L205 VanDerWaalsContact O-CB 3.31Å; I201-L205 WeakPolarHBondContact O-CB 3.4Å; I201-L205 WeakPolarHBondContact O-CG 3.49Å; I201-L205 PolarHBondContact O-N 2.81Å; I201-Y292 WeakPolarHBondContact CA-OH 3.39Å; I201-I438 HydrophobicContact CD1-CD1 4.23Å; I201-I438 HydrophobicContact CD1-CG1 4.5Å; I201-I438 HydrophobicContact CD1-CG2 4.29Å; I201-I438 HydrophobicContact CG1-CD1 4.4Å; I201-I438 HydrophobicContact CG1-CG1 4.13Å; I201-I438 HydrophobicContact CG1-CG2 3.91Å
202W96.9Very high94.6Very high4 Ų434.7 Ų34.72%0.01517%0.17CC..Hα-helixtrans-59.2-55.7176.6-71.589.8000110.4V153 R155 D167 L168 T171 I187 I189 D199 E200 K204 L205 F206 I210V153-W202 HydrophobicContact CG1-CH2 3.72Å; V153-W202 HydrophobicContact CG1-CZ3 4.08Å; R155-W202 HydrophobicContact CG-CZ2 4Å; D167-W202 HydrophobicContact CB-CH2 4.07Å; D167-W202 HydrophobicContact CB-CZ2 3.69Å; L168-W202 HydrophobicContact CD2-CD2 3.65Å; L168-W202 HydrophobicContact CD2-CE3 3.87Å; L168-W202 HydrophobicContact CD2-CG 4.21Å; L168-W202 HydrophobicContact CD2-CH2 3.92Å; L168-W202 HydrophobicContact CD2-CZ2 3.73Å; L168-W202 HydrophobicContact CD2-CZ3 4Å; L168-W202 HydrophobicContact CG-CH2 4.35Å; L168-W202 HydrophobicContact CG-CZ2 3.88Å; T171-W202 HydrophobicContact CG2-CZ3 4.3Å; I187-W202 HydrophobicContact CD1-CE3 4.18Å; I187-W202 HydrophobicContact CD1-CZ3 4.13Å; I189-W202 HydrophobicContact CD1-CE3 4.23Å; I189-W202 HydrophobicContact CD1-CZ3 4.45Å; D199-W202 WeakPolarHBondContact O-CB 3.25Å; D199-W202 PolarHBondContact O-N 3.37Å; E200-W202 PolarHBondContact O-N 2.96Å; W202-K204 VanDerWaalsContact C-N 3.28Å; W202-K204 PolarHBondContact O-N 2.87Å; W202-L205 PolarHBondContact O-N 3.15Å; W202-F206 HydrophobicContact CD2-CE2 4.26Å; W202-F206 AromaticContact CE3-CD2 3.8Å; W202-F206 HydrophobicContact CE3-CD2 3.8Å; W202-F206 AromaticContact CE3-CE2 3.37Å; W202-F206 HydrophobicContact CE3-CE2 3.37Å; W202-F206 HydrophobicContact CE3-CZ 4.38Å; W202-F206 HydrophobicContact CZ3-CD2 4.44Å; W202-F206 AromaticContact CZ3-CE2 3.68Å; W202-F206 HydrophobicContact CZ3-CE2 3.68Å; W202-F206 HydrophobicContact CZ3-CZ 4.28Å; W202-F206 WeakPolarHBondContact O-CD2 3.41Å; W202-F206 PolarHBondContact O-N 3.37Å; W202-I210 VanDerWaalsContact C-CD1 3.41Å; W202-I210 HydrophobicContact CB-CD1 3.63Å; W202-I210 WeakPolarHBondContact O-CD1 3.49Å
203Y94.7Very high94.6Very high68 Ų6834.7 Ų34.727%0.26717%0.17SC..Hα-helixtrans-57.2-41.7-177.7-62.1-46000112.6D199 E200 K207 N208 I210D199-Y203 HydrophobicContact CB-CD2 4.29Å; D199-Y203 HydrophobicContact CB-CE2 3.71Å; D199-Y203 WeakPolarHBondContact O-CD2 3.33Å; D199-Y203 PolarHBondContact O-N 3.49Å; D199-Y203 VanDerWaalsContact O-N 3.12Å; E200-Y203 PolarHBondContact O-N 3.41Å; Y203-K207 PolarHBondContact O-N 3Å; Y203-K207 VanDerWaalsContact O-N 3.13Å; Y203-N208 WeakPolarHBondContact CB-OD1 3.21Å; Y203-N208 PolarHBondContact O-N 2.98Å; Y203-I210 HydrophobicContact CD1-CB 4.3Å; Y203-I210 HydrophobicContact CD1-CD1 4.09Å; Y203-I210 HydrophobicContact CE1-CB 4.33Å; Y203-I210 HydrophobicContact CE1-CG2 4.41Å
204K95.4Very high94.5Very high95 Ų9534.8 Ų34.841%0.41317%0.171SC..Hα-helixtrans-67.5-50.2179.1-169.669.4175.5-172.70112.1E200 I201 W202 F206 K207 G291 Y292E200-K204 VanDerWaalsContact O-CB 3.23Å; E200-K204 WeakPolarHBondContact O-CB 3.32Å; E200-K204 PolarHBondContact O-N 3.11Å; I201-K204 PolarHBondContact O-N 3.15Å; W202-K204 VanDerWaalsContact C-N 3.28Å; W202-K204 PolarHBondContact O-N 2.87Å; K204-F206 PolarHBondContact O-N 3.41Å; K204-K207 PolarHBondContact O-N 2.88Å; K204-G291 WeakPolarHBondContact CE-O 3.39Å; K204-G291 WeakPolarHBondContact CG-O 3.43Å; K204-Y292 HydrophobicContact CB-CE1 4.49Å; K204-Y292 HydrophobicContact CB-CE2 4.34Å; K204-Y292 HydrophobicContact CG-CD1 4.23Å; K204-Y292 HydrophobicContact CG-CD2 4.31Å; K204-Y292 HydrophobicContact CG-CE1 3.99Å; K204-Y292 HydrophobicContact CG-CE2 4.07Å; K204-Y292 HydrophobicContact CG-CG 4.4Å
205L97Very high94.3Very high5 Ų535.9 Ų35.93%0.02618%0.179CC..Hα-helixtrans-66.8-35.6-176.1-67.8177.4000112.6L168 I201 W202 F287 L288 Y292L168-L205 HydrophobicContact CD1-CD1 4.26Å; L168-L205 HydrophobicContact CD2-CD1 3.88Å; I201-L205 HydrophobicContact CG2-CD1 3.47Å; I201-L205 VanDerWaalsContact CG2-CD1 3.47Å; I201-L205 HydrophobicContact CG2-CG 4.04Å; I201-L205 VanDerWaalsContact O-CB 3.31Å; I201-L205 WeakPolarHBondContact O-CB 3.4Å; I201-L205 WeakPolarHBondContact O-CG 3.49Å; I201-L205 PolarHBondContact O-N 2.81Å; W202-L205 PolarHBondContact O-N 3.15Å; L205-F287 HydrophobicContact CB-CE1 4.29Å; L205-F287 HydrophobicContact CB-CZ 3.85Å; L205-F287 HydrophobicContact CD1-CE1 3.87Å; L205-F287 HydrophobicContact CD1-CZ 4.3Å; L205-F287 HydrophobicContact CD2-CE1 4.3Å; L205-F287 HydrophobicContact CD2-CZ 4.31Å; L205-F287 HydrophobicContact CG-CE1 4.38Å; L205-F287 HydrophobicContact CG-CZ 4.38Å; L205-L288 HydrophobicContact CD1-CD2 3.59Å; L205-L288 HydrophobicContact CD2-CD2 4.29Å; L205-Y292 HydrophobicContact CD2-CE2 4.47Å
206F95.9Very high94.3Very high1 Ų134.2 Ų34.20%0.00417%0.17CC..THydrogen-bonded Turntrans-104.620.1-177.4-52.6-73000113.6L168 T171 I175 I182 I185 I187 W202 K204 N208 S209 I210 F287L168-F206 HydrophobicContact CD2-CE2 3.83Å; L168-F206 HydrophobicContact CD2-CZ 4.36Å; T171-F206 HydrophobicContact CG2-CE1 3.78Å; T171-F206 HydrophobicContact CG2-CE2 4.34Å; T171-F206 HydrophobicContact CG2-CZ 3.47Å; T171-F206 VanDerWaalsContact CG2-CZ 3.47Å; I175-F206 HydrophobicContact CD1-CD1 4.46Å; I175-F206 HydrophobicContact CD1-CE1 3.72Å; I182-F206 HydrophobicContact CD1-CD1 3.67Å; I182-F206 HydrophobicContact CD1-CE1 3.84Å; I185-F206 HydrophobicContact CD1-CD1 3.83Å; I185-F206 HydrophobicContact CD1-CE1 4.18Å; I187-F206 HydrophobicContact CD1-CB 4.1Å; I187-F206 HydrophobicContact CD1-CD1 3.59Å; I187-F206 HydrophobicContact CD1-CD2 3.41Å; I187-F206 VanDerWaalsContact CD1-CD2 3.41Å; I187-F206 HydrophobicContact CD1-CE1 3.8Å; I187-F206 HydrophobicContact CD1-CE2 3.63Å; I187-F206 HydrophobicContact CD1-CG 3.39Å; I187-F206 HydrophobicContact CD1-CZ 3.82Å; W202-F206 HydrophobicContact CD2-CE2 4.26Å; W202-F206 AromaticContact CE3-CD2 3.8Å; W202-F206 HydrophobicContact CE3-CD2 3.8Å; W202-F206 AromaticContact CE3-CE2 3.37Å; W202-F206 HydrophobicContact CE3-CE2 3.37Å; W202-F206 HydrophobicContact CE3-CZ 4.38Å; W202-F206 HydrophobicContact CZ3-CD2 4.44Å; W202-F206 AromaticContact CZ3-CE2 3.68Å; W202-F206 HydrophobicContact CZ3-CE2 3.68Å; W202-F206 HydrophobicContact CZ3-CZ 4.28Å; W202-F206 WeakPolarHBondContact O-CD2 3.41Å; W202-F206 PolarHBondContact O-N 3.37Å; K204-F206 PolarHBondContact O-N 3.41Å; F206-N208 VanDerWaalsContact C-N 3.28Å; F206-N208 PolarHBondContact O-N 3.49Å; F206-S209 VanDerWaalsContact O-CB 3.3Å; F206-S209 WeakPolarHBondContact O-CB 3.42Å; F206-S209 PolarHBondContact O-N 3.41Å; F206-I210 HydrophobicContact CB-CD1 3.92Å; F206-I210 HydrophobicContact CB-CG1 3.94Å; F206-I210 HydrophobicContact CD2-CD1 3.9Å; F206-I210 HydrophobicContact CG-CD1 4.33Å; F206-F287 AromaticContact CE1-CZ 3.9Å; F206-F287 HydrophobicContact CE1-CZ 3.9Å; F206-F287 HydrophobicContact CZ-CE1 4.44Å; F206-F287 HydrophobicContact CZ-CZ 4.11Å
207K94.6Very high94.1Very high133 Ų13336.4 Ų36.458%0.57817%0.174SC*.THydrogen-bonded Turntrans50.642.4173.3-57.3-177.3-179.4179.40114I182 N183 Y203 K204 S209I182-K207 HydrophobicContact CG2-CD 4.25Å; I182-K207 HydrophobicContact CG2-CG 4.09Å; N183-K207 PolarHBondContact OD1-NZ 2.97Å; Y203-K207 PolarHBondContact O-N 3Å; Y203-K207 VanDerWaalsContact O-N 3.13Å; K204-K207 PolarHBondContact O-N 2.88Å; K207-S209 PolarHBondContact O-N 3.31Å
208N93.4Very high93Very high110 Ų11037.4 Ų37.459%0.58817%0.17SC*.THydrogen-bonded Turntrans57.714.8-175.9-54.5-56.5000115.1Y203 F206 I210Y203-N208 WeakPolarHBondContact CB-OD1 3.21Å; Y203-N208 PolarHBondContact O-N 2.98Å; F206-N208 VanDerWaalsContact C-N 3.28Å; F206-N208 PolarHBondContact O-N 3.49Å; N208-I210 PolarHBondContact O-N 2.84Å
209S95.4Very high90.8Very high9 Ų940.4 Ų40.46%0.06320%0.198CC..  trans-8256.6172.4-163.40000109.8K148 I185 H186 I187 F206 K207K148-S209 PolarHBondContact NZ-OG 2.84Å; I185-S209 PolarHBondContact O-OG 2.91Å; H186-S209 WeakPolarHBondContact CA-O 3.3Å; H186-S209 PolarHBondContact ND1-OG 2.89Å; I187-S209 PolarHBondContact N-O 3.45Å; F206-S209 VanDerWaalsContact O-CB 3.3Å; F206-S209 WeakPolarHBondContact O-CB 3.42Å; F206-S209 PolarHBondContact O-N 3.41Å; K207-S209 PolarHBondContact O-N 3.31Å
210I95.3Very high88.5Confident12 Ų1246.7 Ų46.76%0.06224%0.237CC..EExtended strand (participates in β ladder)trans-138.7136.9-174.7-50.6-171.7000109.5I187 I189 W202 Y203 F206 N208I187-I210 HydrophobicContact CB-CG1 4.21Å; I187-I210 HydrophobicContact CB-CG2 4.25Å; I187-I210 HydrophobicContact CG2-CG2 4.29Å; I187-I210 CarbonylContact O-C 3.53Å; I187-I210 VanDerWaalsContact O-CA 3.28Å; I187-I210 WeakPolarHBondContact O-CA 3.26Å; I189-I210 HydrophobicContact CD1-CG2 4.39Å; I189-I210 HydrophobicContact CG1-CG2 3.69Å; W202-I210 VanDerWaalsContact C-CD1 3.41Å; W202-I210 HydrophobicContact CB-CD1 3.63Å; W202-I210 WeakPolarHBondContact O-CD1 3.49Å; Y203-I210 HydrophobicContact CD1-CB 4.3Å; Y203-I210 HydrophobicContact CD1-CD1 4.09Å; Y203-I210 HydrophobicContact CE1-CB 4.33Å; Y203-I210 HydrophobicContact CE1-CG2 4.41Å; F206-I210 HydrophobicContact CB-CD1 3.92Å; F206-I210 HydrophobicContact CB-CG1 3.94Å; F206-I210 HydrophobicContact CD2-CD1 3.9Å; F206-I210 HydrophobicContact CG-CD1 4.33Å; N208-I210 PolarHBondContact O-N 2.84Å
211T94.9Very high86.3Confident6 Ų647.1 Ų47.14%0.03724%0.242CC..EExtended strand (participates in β ladder)trans-130.6168.8167.252.40000110.5H186 I187 I188 I189 Y216 I229 L231H186-T211 WeakPolarHBondContact NE2-CG2 3.23Å; H186-T211 PolarHBondContact NE2-OG1 3.3Å; I187-T211 PolarHBondContact O-N 3.15Å; I188-T211 CarbonylContact C-O 3.59Å; I188-T211 WeakPolarHBondContact CA-O 3.33Å; I189-T211 PolarHBondContact N-O 2.98Å; T211-Y216 WeakPolarHBondContact CB-OH 3.46Å; T211-Y216 WeakPolarHBondContact CG2-OH 3.26Å; T211-Y216 WeakPolarHBondContact OG1-CE2 3.31Å; T211-Y216 PolarHBondContact OG1-OH 3.37Å; T211-I229 WeakPolarHBondContact CG2-O 3.34Å; T211-L231 HydrophobicContact CG2-CB 3.54Å; T211-L231 HydrophobicContact CG2-CD1 3.84Å; T211-L231 HydrophobicContact CG2-CG 3.55Å
212R94.7Very high83.7Confident5 Ų554.9 Ų54.92%0.01928%0.283CS..EExtended strand (participates in β ladder)trans-109.3141171.7-67.8166.2166.9-102.514.4108.5R155 I189 D191 H193 P194 D199 G214 S215 V228R155-R212 VanDerWaalsContact NH2-CZ 3.3Å; R155-R212 VanDerWaalsContact NH2-NH1 3.14Å; I189-R212 HydrophobicContact CB-CG 4.01Å; I189-R212 HydrophobicContact CG2-CG 4.32Å; I189-R212 WeakPolarHBondContact O-CA 3.4Å; D191-R212 IonicContact OD1-NH1 3.23Å; H193-R212 PolarHBondContact O-NH1 3.5Å; P194-R212 PolarHBondContact O-NH2 3.45Å; D199-R212 IonicContact OD1-CZ 3.53Å; D199-R212 IonicContact OD1-NH2 3.37Å; D199-R212 PolarHBondContact OD1-NH2 2.74Å; D199-R212 IonicContact OD2-NH2 2.63Å; R212-G214 PolarHBondContact O-N 3.37Å; R212-G214 VanDerWaalsContact O-N 3.09Å; R212-S215 PolarHBondContact O-N 2.84Å; R212-S215 PolarHBondContact O-OG 3.2Å; R212-V228 HydrophobicContact CB-CG1 3.78Å; R212-V228 HydrophobicContact CG-CG1 4.19Å
213I95.2Very high81.4Confident0 Ų059.7 Ų59.70%031%0.31CS..G310 helixtrans-56.2-31179.2-170.258.3000111.8I70 V75 L97 F103 I188 I189 S215 Y216I70-I213 HydrophobicContact CG2-CD1 3.98Å; V75-I213 HydrophobicContact CG1-CG2 4.46Å; V75-I213 HydrophobicContact CG2-CG1 3.92Å; L97-I213 HydrophobicContact CD1-CG2 3.45Å; L97-I213 VanDerWaalsContact CD1-CG2 3.45Å; F103-I213 HydrophobicContact CE2-CD1 4.03Å; F103-I213 HydrophobicContact CE2-CG1 4.15Å; F103-I213 HydrophobicContact CZ-CD1 4.19Å; F103-I213 HydrophobicContact CZ-CG1 4.32Å; I188-I213 HydrophobicContact CG2-CB 3.91Å; I188-I213 HydrophobicContact CG2-CD1 4.23Å; I189-I213 PolarHBondContact O-N 2.59Å; I213-S215 VanDerWaalsContact C-N 3.26Å; I213-S215 PolarHBondContact O-N 2.89Å; I213-Y216 HydrophobicContact CD1-CD2 4.42Å; I213-Y216 PolarHBondContact O-N 3.15Å; I213-Y216 VanDerWaalsContact O-N 3.16Å
214G92.4Very high79.1Confident2 Ų263 Ų632%0.02133%0.332CS..G310 helixtrans-52.9-36.9173.100000115.2I79 R212 Y216 R217I79-G214 VanDerWaalsContact O-CA 3.26Å; I79-G214 WeakPolarHBondContact O-CA 3.33Å; R212-G214 PolarHBondContact O-N 3.37Å; R212-G214 VanDerWaalsContact O-N 3.09Å; G214-Y216 PolarHBondContact O-N 3.24Å; G214-R217 WeakPolarHBondContact O-CB 3.24Å; G214-R217 PolarHBondContact O-N 3.47Å; G214-R217 VanDerWaalsContact O-N 3.09Å
215S90.1Very high77.1Confident23 Ų2361.5 Ų61.516%0.16133%0.328CS..G310 helixtrans-68.7-14.9-178.658.40000114.9R212 I213R212-S215 PolarHBondContact O-N 2.84Å; R212-S215 PolarHBondContact O-OG 3.2Å; I213-S215 VanDerWaalsContact C-N 3.26Å; I213-S215 PolarHBondContact O-N 2.89Å
216Y92.1Very high75Confident7 Ų766.9 Ų66.93%0.02736%0.357CS..G310 helixtrans-97.5-4.3176.4-55-80.3000112.5P72 T211 I213 G214 Y218 P230 L231 L232 L241P72-Y216 VanDerWaalsContact CB-O 3.27Å; P72-Y216 WeakPolarHBondContact CB-O 3.25Å; P72-Y216 WeakPolarHBondContact CG-O 3.15Å; T211-Y216 WeakPolarHBondContact CB-OH 3.46Å; T211-Y216 WeakPolarHBondContact CG2-OH 3.26Å; T211-Y216 WeakPolarHBondContact OG1-CE2 3.31Å; T211-Y216 PolarHBondContact OG1-OH 3.37Å; I213-Y216 HydrophobicContact CD1-CD2 4.42Å; I213-Y216 PolarHBondContact O-N 3.15Å; I213-Y216 VanDerWaalsContact O-N 3.16Å; G214-Y216 PolarHBondContact O-N 3.24Å; Y216-Y218 PolarHBondContact O-N 3.14Å; Y216-P230 HydrophobicContact CD1-CB 3.61Å; Y216-P230 HydrophobicContact CE1-CB 3.34Å; Y216-P230 HydrophobicContact CG-CB 4.44Å; Y216-L231 PolarHBondContact OH-N 2.97Å; Y216-L232 HydrophobicContact CE1-CB 4.09Å; Y216-L232 WeakPolarHBondContact OH-CB 3.24Å; Y216-L232 WeakPolarHBondContact OH-CG 3.21Å; Y216-L232 PolarHBondContact OH-N 3.41Å; Y216-L232 VanDerWaalsContact OH-N 3.13Å; Y216-L241 HydrophobicContact CD1-CD1 3.95Å; Y216-L241 HydrophobicContact CD1-CD2 3.69Å; Y216-L241 HydrophobicContact CD1-CG 4.26Å; Y216-L241 HydrophobicContact CD2-CD1 4.08Å; Y216-L241 HydrophobicContact CE1-CD1 4.42Å; Y216-L241 HydrophobicContact CE1-CD2 3.67Å; Y216-L241 HydrophobicContact CG-CD1 3.75Å; Y216-L241 HydrophobicContact CG-CD2 4.36Å
217R88Confident73.3Confident59 Ų5971.4 Ų71.422%0.22338%0.382CS..SBendtrans-79119.3173.8-61.8169.767.9-164.6-6.3107.2P72 V75 G77 A78 I79 G214P72-R217 HydrophobicContact CB-CG 4.07Å; V75-R217 PolarHBondContact O-NE 3.42Å; V75-R217 PolarHBondContact O-NH2 3.18Å; G77-R217 PolarHBondContact O-NH1 2.89Å; G77-R217 PolarHBondContact O-NH2 3.4Å; G77-R217 VanDerWaalsContact O-NH2 3.1Å; A78-R217 PolarHBondContact O-NH1 3.4Å; I79-R217 HydrophobicContact CD1-CB 4.35Å; G214-R217 WeakPolarHBondContact O-CB 3.24Å; G214-R217 PolarHBondContact O-N 3.47Å; G214-R217 VanDerWaalsContact O-N 3.09Å
218Y66Low71.9Confident129 Ų12966.4 Ų66.451%0.50636%0.362SS..  trans-46.1140.2-175.8-101.5-101.7000113.2Y216 T220 I234 H239Y216-Y218 PolarHBondContact O-N 3.14Å; Y218-T220 VanDerWaalsContact C-N 3.26Å; Y218-T220 PolarHBondContact O-N 3.27Å; Y218-I234 HydrophobicContact CE2-CD1 4.38Å; Y218-H239 HydrophobicContact CD2-CB 3.87Å; Y218-H239 AromaticContact CD2-CD2 3.99Å; Y218-H239 AromaticContact CD2-CG 3.86Å; Y218-H239 AromaticContact CE1-CE1 3.98Å; Y218-H239 AromaticContact CE1-NE2 3.78Å; Y218-H239 HydrophobicContact CE2-CB 3.33Å; Y218-H239 AromaticContact CE2-CD2 3.46Å; Y218-H239 VanDerWaalsContact CE2-CD2 3.46Å; Y218-H239 WeakPolarHBondContact CE2-CD2 3.21Å; Y218-H239 AromaticContact CE2-CE1 3.89Å; Y218-H239 AromaticContact CE2-CG 3.06Å; Y218-H239 AromaticContact CE2-ND1 3.39Å; Y218-H239 WeakPolarHBondContact CE2-ND1 3.22Å; Y218-H239 AromaticContact CE2-NE2 3.95Å; Y218-H239 AromaticContact CZ-CD2 3.47Å; Y218-H239 VanDerWaalsContact CZ-CD2 3.47Å; Y218-H239 AromaticContact CZ-CE1 3.29Å; Y218-H239 AromaticContact CZ-CG 3.34Å; Y218-H239 AromaticContact CZ-ND1 3.23Å; Y218-H239 AromaticContact CZ-NE2 3.43Å; Y218-H239 PolarHBondContact OH-CE1 2.93Å; Y218-H239 PolarHBondContact OH-ND1 3.19Å; Y218-H239 PolarHBondContact OH-NE2 2.87Å
219A50.2Low71.1Confident84 Ų8466.6 Ų66.669%0.69436%0.362SS*.  trans-60.581.2178.400000111.7
220T46Very low70.6Confident138 Ų13869.3 Ų69.385%0.84738%0.379SS*.SBendtrans-81.46.2152.950.60000111.6Y218Y218-T220 VanDerWaalsContact C-N 3.26Å; Y218-T220 PolarHBondContact O-N 3.27Å
221D46.2Very low70.3Confident100 Ų10073.3 Ų73.354%0.53540%0.4SS..  trans-131.8107.4173.9-117.52.9000109.2N223D221-N223 HydrophobicContact CB-CB 4.11Å; D221-N223 PolarHBondContact O-N 3.04Å; D221-N223 PolarHBondContact OD1-ND2 3.47Å; D221-N223 VanDerWaalsContact OD1-ND2 3.09Å; D221-N223 PolarHBondContact OD2-ND2 3.35Å
222N43.2Very low70.2Confident162 Ų16273.4 Ų73.487%0.86640%0.4SS*.  trans-65.820.6160.9-77.8-33.3000111.8N224N222-N224 PolarHBondContact O-N 2.62Å
223N48Very low70Confident106 Ų10677.1 Ų77.157%0.56743%0.425SS*.  trans-85.3114.7177.6-74.7-28.6000108D221 N225D221-N223 HydrophobicContact CB-CB 4.11Å; D221-N223 PolarHBondContact O-N 3.04Å; D221-N223 PolarHBondContact OD1-ND2 3.47Å; D221-N223 VanDerWaalsContact OD1-ND2 3.09Å; D221-N223 PolarHBondContact OD2-ND2 3.35Å; N223-N225 PolarHBondContact O-N 2.95Å
224N47.8Very low69.8Low138 Ų13879.3 Ų79.374%0.73844%0.436SS*.  trans-54.959.4172.3-69.6-34.4000113.3N222 N226N222-N224 PolarHBondContact O-N 2.62Å; N224-N226 PolarHBondContact O-N 3.36Å
225N52.2Low69.6Low62 Ų6281.2 Ų81.233%0.33245%0.446SS..  trans-77.771.1160.9-89.5-8.2000107.5N223 N227 V228N223-N225 PolarHBondContact O-N 2.95Å; N225-N227 PolarHBondContact O-N 3.15Å; N225-V228 PolarHBondContact O-N 3.25Å
226N53.4Low69.3Low118 Ų11886.6 Ų86.663%0.63147%0.473SS*.THydrogen-bonded Turntrans-59.2-1.7178.7-67.3-4.5000113.8N224N224-N226 PolarHBondContact O-N 3.36Å
227N59.8Low69Low97 Ų9794.9 Ų94.952%0.51951%0.512SS..THydrogen-bonded Turntrans-92.9-6.7-171.3-63.7-9.6000113.4L195 N225L195-N227 HydrophobicContact CD1-CB 4.17Å; N225-N227 PolarHBondContact O-N 3.15Å
228V65.3Low69.1Low27 Ų2794 Ų9416%0.16451%0.512CS..  trans-130.6107.1-179.5-156.20000110.3R212 N225R212-V228 HydrophobicContact CB-CG1 3.78Å; R212-V228 HydrophobicContact CG-CG1 4.19Å; N225-V228 PolarHBondContact O-N 3.25Å
229I76.2Confident70.2Confident115 Ų11591.6 Ų91.659%0.5951%0.505SS*.  trans-110.8126.7-176.2-57.4173.7000108.4T211 L231T211-I229 WeakPolarHBondContact CG2-O 3.34Å; I229-L231 HydrophobicContact CG2-CD2 4.5Å; I229-L231 PolarHBondContact O-N 2.86Å
230P85.2Confident72.3Confident65 Ų6588.4 Ų88.442%0.42248%0.476SS..  trans-66.7133.3171.428.9-32.7000109.6Y216Y216-P230 HydrophobicContact CD1-CB 3.61Å; Y216-P230 HydrophobicContact CE1-CB 3.34Å; Y216-P230 HydrophobicContact CG-CB 4.44Å
231L90.1Very high74.6Confident97 Ų9781.9 Ų81.951%0.50844%0.436SS..  trans-114.1-22.3-178.6-64.6178.6000112.4T211 Y216 I229T211-L231 HydrophobicContact CG2-CB 3.54Å; T211-L231 HydrophobicContact CG2-CD1 3.84Å; T211-L231 HydrophobicContact CG2-CG 3.55Å; Y216-L231 PolarHBondContact OH-N 2.97Å; I229-L231 HydrophobicContact CG2-CD2 4.5Å; I229-L231 PolarHBondContact O-N 2.86Å
232L92.1Very high77Confident8 Ų877.7 Ų77.74%0.04241%0.413CS..SBendtrans-85.8143.9173.5-60.5178.2000110.2Y145 V150 H186 I188 Y216 I234 L241Y145-L232 HydrophobicContact CD1-CD2 3.76Å; Y145-L232 HydrophobicContact CD2-CD2 4.05Å; Y145-L232 HydrophobicContact CE1-CD2 3.42Å; Y145-L232 VanDerWaalsContact CE1-CD2 3.42Å; Y145-L232 HydrophobicContact CE2-CD2 3.73Å; Y145-L232 HydrophobicContact CG-CD2 4.04Å; V150-L232 HydrophobicContact CG1-CD1 4.21Å; V150-L232 HydrophobicContact CG2-CD1 3.99Å; V150-L232 HydrophobicContact CG2-CD2 4.49Å; H186-L232 HydrophobicContact CB-CD2 4.35Å; I188-L232 HydrophobicContact CD1-CD1 3.69Å; I188-L232 HydrophobicContact CG1-CD1 4Å; Y216-L232 HydrophobicContact CE1-CB 4.09Å; Y216-L232 WeakPolarHBondContact OH-CB 3.24Å; Y216-L232 WeakPolarHBondContact OH-CG 3.21Å; Y216-L232 PolarHBondContact OH-N 3.41Å; Y216-L232 VanDerWaalsContact OH-N 3.13Å; L232-I234 PolarHBondContact O-N 2.76Å; L232-L241 HydrophobicContact CB-CD2 3.94Å
233P91Very high79.5Confident82 Ų8270 Ų7053%0.53237%0.372SS..PPolyproline II helixtrans-67.3124.4176.628-33.4000110.3Y145Y145-P233 HydrophobicContact CD2-CG 3.93Å
234I89.5Confident81.7Confident46 Ų4665.8 Ų65.824%0.23635%0.349CS..PPolyproline II helixtrans-95.8141.2168.3-165165.9000108.8Y218 L232 H239 L241Y218-I234 HydrophobicContact CE2-CD1 4.38Å; L232-I234 PolarHBondContact O-N 2.76Å; I234-H239 HydrophobicContact CD1-CB 4.5Å; I234-H239 WeakPolarHBondContact CD1-O 3.37Å; I234-L241 HydrophobicContact CB-CD2 4.24Å; I234-L241 HydrophobicContact CG1-CG 4.43Å
235N88.5Confident83.9Confident43 Ų4359.8 Ų59.823%0.2332%0.316CS..PPolyproline II helixtrans-69.1140.2175.6-172.1-50.5000109.7E237 D238 H239 L240 Y242N235-E237 WeakPolarHBondContact OD1-CB 3.23Å; N235-E237 PolarHBondContact OD1-N 2.95Å; N235-D238 CarbonylContact C-O 3.56Å; N235-D238 VanDerWaalsContact C-O 3.27Å; N235-D238 VanDerWaalsContact CB-O 3.3Å; N235-D238 WeakPolarHBondContact CB-O 3.25Å; N235-D238 WeakPolarHBondContact CB-OD1 3.39Å; N235-H239 PolarHBondContact O-ND1 2.95Å; N235-L240 WeakPolarHBondContact CB-O 3.04Å; N235-L240 PolarHBondContact N-O 3.25Å; N235-Y242 HydrophobicContact CB-CD2 4.23Å; N235-Y242 HydrophobicContact CB-CE2 4.01Å
236N84.4Confident86Confident135 Ų13556.8 Ų56.872%0.72230%0.301SS*.SBendtrans-82.5-21.4-176.8-70.1-24.9000113H239N236-H239 PolarHBondContact O-CE1 2.89Å
237E86.2Confident88.1Confident181 Ų18151.2 Ų51.285%0.84627%0.271SS*.SBendtrans-91.3-57.8-174.5-61.8-179.6174.700111.7N235N235-E237 WeakPolarHBondContact OD1-CB 3.23Å; N235-E237 PolarHBondContact OD1-N 2.95Å
238D89.5Confident89.8Confident41 Ų4146.6 Ų46.622%0.21925%0.246CC..SBendtrans-98.5136.8164.562.248000105.5K142 N235 L240 Y242K142-D238 IonicContact NZ-OD2 3.65Å; N235-D238 CarbonylContact C-O 3.56Å; N235-D238 VanDerWaalsContact C-O 3.27Å; N235-D238 VanDerWaalsContact CB-O 3.3Å; N235-D238 WeakPolarHBondContact CB-O 3.25Å; N235-D238 WeakPolarHBondContact CB-OD1 3.39Å; D238-L240 HydrophobicContact CB-CD1 4.01Å; D238-L240 HydrophobicContact CB-CG 3.94Å; D238-L240 PolarHBondContact O-N 3.13Å; D238-L240 WeakPolarHBondContact OD1-CB 3.45Å; D238-L240 VanDerWaalsContact OD1-CG 3.29Å; D238-L240 WeakPolarHBondContact OD1-CG 3.37Å; D238-L240 PolarHBondContact OD1-N 2.87Å; D238-Y242 VanDerWaalsContact OD1-CE2 3.28Å; D238-Y242 WeakPolarHBondContact OD1-CE2 3.48Å; D238-Y242 PolarHBondContact OD1-OH 3.45Å; D238-Y242 PolarHBondContact OD2-OH 2.9Å
239H90.1Very high91.2Very high78 Ų7845.4 Ų45.436%0.36124%0.239SC..  trans-84.652.8-173.2-68-38.7000112.4P72 Y218 I234 N235 N236P72-H239 WeakPolarHBondContact CD-O 3.39Å; Y218-H239 HydrophobicContact CD2-CB 3.87Å; Y218-H239 AromaticContact CD2-CD2 3.99Å; Y218-H239 AromaticContact CD2-CG 3.86Å; Y218-H239 AromaticContact CE1-CE1 3.98Å; Y218-H239 AromaticContact CE1-NE2 3.78Å; Y218-H239 HydrophobicContact CE2-CB 3.33Å; Y218-H239 AromaticContact CE2-CD2 3.46Å; Y218-H239 VanDerWaalsContact CE2-CD2 3.46Å; Y218-H239 WeakPolarHBondContact CE2-CD2 3.21Å; Y218-H239 AromaticContact CE2-CE1 3.89Å; Y218-H239 AromaticContact CE2-CG 3.06Å; Y218-H239 AromaticContact CE2-ND1 3.39Å; Y218-H239 WeakPolarHBondContact CE2-ND1 3.22Å; Y218-H239 AromaticContact CE2-NE2 3.95Å; Y218-H239 AromaticContact CZ-CD2 3.47Å; Y218-H239 VanDerWaalsContact CZ-CD2 3.47Å; Y218-H239 AromaticContact CZ-CE1 3.29Å; Y218-H239 AromaticContact CZ-CG 3.34Å; Y218-H239 AromaticContact CZ-ND1 3.23Å; Y218-H239 AromaticContact CZ-NE2 3.43Å; Y218-H239 PolarHBondContact OH-CE1 2.93Å; Y218-H239 PolarHBondContact OH-ND1 3.19Å; Y218-H239 PolarHBondContact OH-NE2 2.87Å; I234-H239 HydrophobicContact CD1-CB 4.5Å; I234-H239 WeakPolarHBondContact CD1-O 3.37Å; N235-H239 PolarHBondContact O-ND1 2.95Å; N236-H239 PolarHBondContact O-CE1 2.89Å
240L93.5Very high92.1Very high17 Ų1740 Ų409%0.08921%0.211CC..  trans-112.2149.6-169.7-49.6179.1000112.5C69 I70 D71 N235 D238 Y242C69-L240 HydrophobicContact CB-CB 4.39Å; I70-L240 WeakPolarHBondContact O-CA 3.49Å; D71-L240 HydrophobicContact CB-CD2 3.52Å; D71-L240 VanDerWaalsContact CG-CD2 3.42Å; N235-L240 WeakPolarHBondContact CB-O 3.04Å; N235-L240 PolarHBondContact N-O 3.25Å; D238-L240 HydrophobicContact CB-CD1 4.01Å; D238-L240 HydrophobicContact CB-CG 3.94Å; D238-L240 PolarHBondContact O-N 3.13Å; D238-L240 WeakPolarHBondContact OD1-CB 3.45Å; D238-L240 VanDerWaalsContact OD1-CG 3.29Å; D238-L240 WeakPolarHBondContact OD1-CG 3.37Å; D238-L240 PolarHBondContact OD1-N 2.87Å; L240-Y242 HydrophobicContact CB-CE2 4.05Å
241L95Very high92.4Very high2 Ų238.3 Ų38.31%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-98.8105.4174-68152.4000108.7C69 I70 P72 Y216 L232 I234 I243C69-L241 CarbonylContact C-O 3.52Å; C69-L241 WeakPolarHBondContact CA-O 3.35Å; I70-L241 HydrophobicContact CB-CB 4.14Å; I70-L241 HydrophobicContact CB-CD1 4.25Å; I70-L241 HydrophobicContact CG2-CD1 4.21Å; I70-L241 PolarHBondContact N-O 3.36Å; I70-L241 PolarHBondContact O-N 3.48Å; P72-L241 HydrophobicContact CG-CD1 3.91Å; Y216-L241 HydrophobicContact CD1-CD1 3.95Å; Y216-L241 HydrophobicContact CD1-CD2 3.69Å; Y216-L241 HydrophobicContact CD1-CG 4.26Å; Y216-L241 HydrophobicContact CD2-CD1 4.08Å; Y216-L241 HydrophobicContact CE1-CD1 4.42Å; Y216-L241 HydrophobicContact CE1-CD2 3.67Å; Y216-L241 HydrophobicContact CG-CD1 3.75Å; Y216-L241 HydrophobicContact CG-CD2 4.36Å; L232-L241 HydrophobicContact CB-CD2 3.94Å; I234-L241 HydrophobicContact CB-CD2 4.24Å; I234-L241 HydrophobicContact CG1-CG 4.43Å; L241-I243 HydrophobicContact CB-CD1 4.49Å
242Y95.5Very high92.5Very high11 Ų1133.7 Ų33.74%0.04317%0.172CC..EExtended strand (participates in β ladder)trans-84.1120.3174.8-68.3-86.3000110C69 K142 Y144 Y145 N235 D238 L240C69-Y242 HydrophobicContact CB-CD1 3.61Å; C69-Y242 HydrophobicContact CB-CE1 3.75Å; C69-Y242 HydrophobicContact CB-CG 4.14Å; K142-Y242 HydrophobicContact CB-CD1 3.69Å; K142-Y242 HydrophobicContact CB-CE1 3.85Å; K142-Y242 HydrophobicContact CB-CG 4.26Å; K142-Y242 HydrophobicContact CD-CD1 4.27Å; K142-Y242 HydrophobicContact CD-CE1 3.56Å; K142-Y242 HydrophobicContact CD-CE2 4.37Å; K142-Y242 VanDerWaalsContact CE-OH 3.31Å; K142-Y242 WeakPolarHBondContact CE-OH 3.21Å; K142-Y242 HydrophobicContact CG-CD1 3.89Å; K142-Y242 HydrophobicContact CG-CE1 3.51Å; K142-Y242 PolarHBondContact NZ-OH 3.39Å; Y144-Y242 HydrophobicContact CE1-CD1 4.25Å; Y145-Y242 WeakPolarHBondContact CB-O 3.44Å; Y145-Y242 PolarHBondContact N-O 2.94Å; N235-Y242 HydrophobicContact CB-CD2 4.23Å; N235-Y242 HydrophobicContact CB-CE2 4.01Å; D238-Y242 VanDerWaalsContact OD1-CE2 3.28Å; D238-Y242 WeakPolarHBondContact OD1-CE2 3.48Å; D238-Y242 PolarHBondContact OD1-OH 3.45Å; D238-Y242 PolarHBondContact OD2-OH 2.9Å; L240-Y242 HydrophobicContact CB-CE2 4.05Å
243I96Very high92.5Very high1 Ų136.4 Ų36.41%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-124.3124.9-172.6-63.3170.9000109.6V68 I70 V150 I188 L241 K245 L246V68-I243 HydrophobicContact CG2-CB 4.22Å; V68-I243 PolarHBondContact N-O 3.17Å; V68-I243 PolarHBondContact O-N 3.46Å; I70-I243 HydrophobicContact CD1-CD1 3.54Å; I70-I243 HydrophobicContact CG1-CD1 4.04Å; V150-I243 HydrophobicContact CB-CD1 4.27Å; V150-I243 HydrophobicContact CB-CG2 3.88Å; V150-I243 HydrophobicContact CG1-CD1 4.13Å; V150-I243 HydrophobicContact CG2-CD1 4.21Å; V150-I243 HydrophobicContact CG2-CG1 4.3Å; V150-I243 HydrophobicContact CG2-CG2 3.72Å; I188-I243 HydrophobicContact CD1-CD1 4.37Å; L241-I243 HydrophobicContact CB-CD1 4.49Å; I243-K245 WeakPolarHBondContact CG2-O 3.31Å; I243-L246 HydrophobicContact CD1-CD1 4.19Å; I243-L246 HydrophobicContact CG2-CB 4.05Å
244N94.3Very high92.4Very high17 Ų1732.6 Ų32.69%0.09116%0.158CC..EExtended strand (participates in β ladder)trans-67.9-44.9179.1178.340.2000112K66 N67 Y145 K146K66-N244 CarbonylContact C-O 3.55Å; K66-N244 VanDerWaalsContact CA-O 3.25Å; K66-N244 WeakPolarHBondContact CA-O 3.47Å; N67-N244 PolarHBondContact N-O 3.14Å; N67-N244 PolarHBondContact OD1-OD1 2.82Å; N67-N244 VanDerWaalsContact OD1-OD1 3.14Å; Y145-N244 VanDerWaalsContact O-CB 3.28Å; Y145-N244 WeakPolarHBondContact O-CB 3.4Å; Y145-N244 PolarHBondContact O-N 3.39Å; K146-N244 HydrophobicContact CG-CB 3.66Å
245K94.6Very high92.5Very high12 Ų1230.4 Ų30.45%0.05215%0.146CC..EExtended strand (participates in β ladder)trans-134.5111.9179.4-69.6179176.2161.90110.2E45 I46 L65 I149 V150 I243E45-K245 HydrophobicContact CG-CD 4.14Å; E45-K245 PolarHBondContact O-NZ 2.96Å; E45-K245 IonicContact OE2-NZ 3.24Å; E45-K245 PolarHBondContact OE2-NZ 2.79Å; I46-K245 HydrophobicContact CB-CD 4.45Å; I46-K245 VanDerWaalsContact O-CE 3.27Å; I46-K245 WeakPolarHBondContact O-CE 3.44Å; I46-K245 PolarHBondContact O-NZ 2.81Å; L65-K245 WeakPolarHBondContact O-CA 3.25Å; I149-K245 HydrophobicContact CD1-CD 4.16Å; I149-K245 HydrophobicContact CG1-CB 4.2Å; I149-K245 HydrophobicContact CG1-CD 4.28Å; I149-K245 HydrophobicContact CG2-CB 4.08Å; V150-K245 PolarHBondContact N-O 3.06Å; I243-K245 WeakPolarHBondContact CG2-O 3.31Å
246L96.4Very high92.5Very high0 Ų028.7 Ų28.70%014%0.138CC..EExtended strand (participates in β ladder)trans-110126.9175.9-178.168.3000109.1V64 L65 V68 I70 I104 V150 L152 I243V64-L246 CarbonylContact C-O 3.56Å; V64-L246 WeakPolarHBondContact CA-O 3.33Å; L65-L246 HydrophobicContact CB-CB 4.41Å; L65-L246 HydrophobicContact CD1-CD2 4.41Å; L65-L246 PolarHBondContact N-O 3.46Å; L65-L246 PolarHBondContact O-N 3.48Å; V68-L246 HydrophobicContact CG2-CB 3.69Å; V68-L246 HydrophobicContact CG2-CD2 3.86Å; V68-L246 HydrophobicContact CG2-CG 4.42Å; I70-L246 HydrophobicContact CD1-CD1 4.06Å; I70-L246 HydrophobicContact CD1-CD2 4.08Å; I70-L246 HydrophobicContact CG1-CD2 4.34Å; I104-L246 HydrophobicContact CD1-CD2 4.16Å; V150-L246 HydrophobicContact CB-CD1 4.11Å; V150-L246 HydrophobicContact CG1-CD1 3.9Å; V150-L246 CarbonylContact O-C 3.27Å; V150-L246 WeakPolarHBondContact O-CA 3.42Å; L152-L246 HydrophobicContact CB-CD1 4.14Å; I243-L246 HydrophobicContact CD1-CD1 4.19Å; I243-L246 HydrophobicContact CG2-CB 4.05Å
247V96.3Very high92.7Very high0 Ų022.3 Ų22.30%010%0.103CC..EExtended strand (participates in β ladder)trans-113.8120.1178.6-178.80000108.6I46 I62 V63 V64 I149 V150 L151 L152 T174 L178I46-V247 HydrophobicContact CD1-CG2 4.26Å; I62-V247 HydrophobicContact CG2-CG1 3.54Å; V63-V247 CarbonylContact O-C 3.58Å; V63-V247 WeakPolarHBondContact O-CA 3.34Å; V64-V247 HydrophobicContact CG1-CG2 4.27Å; V64-V247 HydrophobicContact CG2-CG2 4.18Å; I149-V247 HydrophobicContact CG2-CG2 3.49Å; I149-V247 VanDerWaalsContact CG2-CG2 3.49Å; V150-V247 PolarHBondContact O-N 2.99Å; L151-V247 CarbonylContact C-O 3.48Å; L151-V247 WeakPolarHBondContact CA-O 3.44Å; L151-V247 HydrophobicContact CD1-CB 4.03Å; L151-V247 HydrophobicContact CD1-CG2 4.25Å; L151-V247 HydrophobicContact CG-CB 4.07Å; L151-V247 HydrophobicContact CG-CG1 4.36Å; L152-V247 PolarHBondContact N-O 2.85Å; T174-V247 HydrophobicContact CG2-CG1 3.6Å; L178-V247 HydrophobicContact CD1-CB 4.49Å; L178-V247 HydrophobicContact CD1-CG1 3.74Å; L178-V247 HydrophobicContact CD1-CG2 3.9Å
248I96.2Very high93Very high0 Ų015.5 Ų15.50%07%0.07CC..EExtended strand (participates in β ladder)trans-88.9116.7175.6-57.3168.7000108V63 L65 I104 V124 F127V63-I248 HydrophobicContact CB-CB 4.24Å; V63-I248 HydrophobicContact CB-CD1 4.32Å; V63-I248 HydrophobicContact CG1-CD1 4.3Å; V63-I248 PolarHBondContact N-O 3.28Å; V63-I248 PolarHBondContact O-N 2.95Å; L65-I248 HydrophobicContact CD1-CD1 4.1Å; I104-I248 HydrophobicContact CD1-CD1 4.36Å; V124-I248 HydrophobicContact CB-CG2 4.38Å; V124-I248 HydrophobicContact CG1-CG2 4.34Å; V124-I248 HydrophobicContact CG2-CG2 4.09Å; F127-I248 HydrophobicContact CB-CD1 3.76Å; F127-I248 HydrophobicContact CB-CG1 4.49Å; F127-I248 HydrophobicContact CB-CG2 4.36Å; F127-I248 HydrophobicContact CD2-CG2 3.52Å; F127-I248 HydrophobicContact CE2-CG2 4.23Å; F127-I248 HydrophobicContact CG-CG2 4.29Å
249V95.5Very high92.8Very high2 Ų214.7 Ų14.71%0.0127%0.067CC..EExtended strand (participates in β ladder)trans-93.3126.2179.4-1750000109N123 L151 L152 V153 N170 T174 Y251N123-V249 PolarHBondContact ND2-O 3.27Å; L151-V249 HydrophobicContact CB-CG2 4.1Å; L151-V249 HydrophobicContact CD2-CG2 4.01Å; L151-V249 HydrophobicContact CG-CG2 3.97Å; L152-V249 PolarHBondContact O-N 3.39Å; V153-V249 HydrophobicContact CG2-CB 3.88Å; V153-V249 HydrophobicContact CG2-CG1 4.4Å; V153-V249 HydrophobicContact CG2-CG2 3.78Å; N170-V249 HydrophobicContact CB-CG1 4.05Å; T174-V249 HydrophobicContact CG2-CG2 4.2Å; V249-Y251 PolarHBondContact O-N 2.9Å
250P93.3Very high92.5Very high1 Ų116.7 Ų16.71%0.0068%0.08CC..PPolyproline II helixtrans-66.4135.917426.7-31.7000110V60 E121 V124 N170 A254V60-P250 HydrophobicContact CB-CG 3.85Å; V60-P250 HydrophobicContact CG1-CG 4.46Å; V60-P250 HydrophobicContact CG2-CG 4.2Å; E121-P250 HydrophobicContact CG-CB 4.43Å; V124-P250 HydrophobicContact CG2-CB 3.84Å; N170-P250 WeakPolarHBondContact CB-O 3.23Å; N170-P250 PolarHBondContact ND2-O 2.9Å; P250-A254 HydrophobicContact CB-CB 3.88Å
251Y93.1Very high91.9Very high30 Ų3017.7 Ų17.712%0.1188%0.084CC..  trans-65.5174.6-179.867.1-0.7000113.5Y120 T122 N123 T154 V156 N170 V249 Y253 A254Y120-Y251 WeakPolarHBondContact O-CE1 3.49Å; Y120-Y251 PolarHBondContact O-OH 3.39Å; T122-Y251 VanDerWaalsContact OG1-CE2 3.32Å; T122-Y251 WeakPolarHBondContact OG1-CE2 3.09Å; T122-Y251 VanDerWaalsContact OG1-CZ 3.23Å; T122-Y251 PolarHBondContact OG1-OH 2.82Å; N123-Y251 HydrophobicContact CB-CD2 4.05Å; N123-Y251 HydrophobicContact CB-CG 4.22Å; N123-Y251 PolarHBondContact ND2-N 3.14Å; N123-Y251 WeakPolarHBondContact OD1-CD1 3.47Å; N123-Y251 PolarHBondContact OD1-N 3.31Å; N123-Y251 VanDerWaalsContact OD1-N 3.1Å; T154-Y251 WeakPolarHBondContact O-CB 3.48Å; V156-Y251 HydrophobicContact CG1-CD2 3.39Å; V156-Y251 HydrophobicContact CG1-CE2 4.03Å; V156-Y251 HydrophobicContact CG1-CG 4.11Å; N170-Y251 PolarHBondContact ND2-O 3.08Å; V249-Y251 PolarHBondContact O-N 2.9Å; Y251-Y253 VanDerWaalsContact C-N 3.32Å; Y251-Y253 HydrophobicContact CD2-CD2 4.36Å; Y251-Y253 HydrophobicContact CE1-CD2 4.29Å; Y251-Y253 AromaticContact CE2-CD2 3.96Å; Y251-Y253 HydrophobicContact CE2-CD2 3.96Å; Y251-Y253 AromaticContact CZ-CD2 3.91Å; Y251-Y253 PolarHBondContact O-N 2.93Å; Y251-Y253 VanDerWaalsContact O-N 3.16Å; Y251-A254 HydrophobicContact CD1-CB 4.35Å; Y251-A254 HydrophobicContact CE1-CB 4.48Å; Y251-A254 WeakPolarHBondContact O-CB 3.4Å; Y251-A254 PolarHBondContact O-N 3.08Å
252G92Very high90.7Very high0 Ų024.1 Ų24.10%012%0.118CC..G310 helixtrans-61.6-27.5-168.500000116.2T166 D167 A254 S255T166-G252 WeakPolarHBondContact CB-O 3.41Å; T166-G252 WeakPolarHBondContact OG1-CA 3.17Å; T166-G252 PolarHBondContact OG1-O 2.56Å; D167-G252 VanDerWaalsContact OD1-CA 3.27Å; D167-G252 WeakPolarHBondContact OD1-CA 3.36Å; D167-G252 PolarHBondContact OD1-N 3.41Å; G252-A254 PolarHBondContact O-N 3.18Å; G252-S255 WeakPolarHBondContact O-CB 3.25Å; G252-S255 PolarHBondContact O-N 3.35Å
253Y91.1Very high89.2Confident66 Ų6626.2 Ų26.226%0.25913%0.13SC..G310 helixtrans-67.9-23.2175.9-67.5-68.4000113.4V156 E157 H163 Y251 S255 Y258 K261V156-Y253 HydrophobicContact CB-CD2 4.16Å; V156-Y253 HydrophobicContact CB-CE2 3.72Å; V156-Y253 HydrophobicContact CG1-CD2 4.1Å; V156-Y253 HydrophobicContact CG1-CE2 3.93Å; V156-Y253 HydrophobicContact CG2-CD2 3.79Å; V156-Y253 HydrophobicContact CG2-CE2 3.72Å; E157-Y253 PolarHBondContact OE1-OH 3.12Å; H163-Y253 AromaticContact CE1-CE1 3.64Å; H163-Y253 AromaticContact CE1-CZ 3.98Å; H163-Y253 AromaticContact ND1-CE1 3.88Å; H163-Y253 AromaticContact ND1-CZ 4Å; Y251-Y253 VanDerWaalsContact C-N 3.32Å; Y251-Y253 HydrophobicContact CD2-CD2 4.36Å; Y251-Y253 HydrophobicContact CE1-CD2 4.29Å; Y251-Y253 AromaticContact CE2-CD2 3.96Å; Y251-Y253 HydrophobicContact CE2-CD2 3.96Å; Y251-Y253 AromaticContact CZ-CD2 3.91Å; Y251-Y253 PolarHBondContact O-N 2.93Å; Y251-Y253 VanDerWaalsContact O-N 3.16Å; Y253-S255 VanDerWaalsContact C-N 3.28Å; Y253-Y258 HydrophobicContact CD1-CD2 4.04Å; Y253-Y258 HydrophobicContact CD1-CE1 4.14Å; Y253-Y258 AromaticContact CD1-CE2 3.34Å; Y253-Y258 HydrophobicContact CD1-CE2 3.34Å; Y253-Y258 AromaticContact CD1-CZ 3.41Å; Y253-Y258 VanDerWaalsContact CD1-CZ 3.41Å; Y253-Y258 WeakPolarHBondContact CD1-OH 3.47Å; Y253-Y258 AromaticContact CE1-CE2 3.7Å; Y253-Y258 HydrophobicContact CE1-CE2 3.7Å; Y253-Y258 AromaticContact CE1-CZ 3.81Å; Y253-Y258 WeakPolarHBondContact CE1-OH 3.34Å; Y253-Y258 HydrophobicContact CG-CE2 4.45Å; Y253-K261 WeakPolarHBondContact O-CE 3.08Å
254A89.9Confident87.1Confident1 Ų130.7 Ų30.71%0.00816%0.157CC..G310 helixtrans-79.6-17172.100000111.9V60 Y120 E121 P250 Y251 G252V60-A254 HydrophobicContact CG1-CB 4.07Å; V60-A254 WeakPolarHBondContact CG1-O 3.48Å; Y120-A254 HydrophobicContact CD2-CB 3.75Å; Y120-A254 HydrophobicContact CE2-CB 3.87Å; E121-A254 HydrophobicContact CG-CB 3.9Å; P250-A254 HydrophobicContact CB-CB 3.88Å; Y251-A254 HydrophobicContact CD1-CB 4.35Å; Y251-A254 HydrophobicContact CE1-CB 4.48Å; Y251-A254 WeakPolarHBondContact O-CB 3.4Å; Y251-A254 PolarHBondContact O-N 3.08Å; G252-A254 PolarHBondContact O-N 3.18Å
255S91.2Very high84.9Confident0 Ų033.9 Ų33.90%017%0.173CC..SBendtrans-57.8140.2-170.6-170.50000113T166 Y169 N170 G252 Y253 L257 Y258 K261T166-S255 PolarHBondContact O-OG 3.13Å; Y169-S255 WeakPolarHBondContact CD1-OG 3.36Å; N170-S255 WeakPolarHBondContact ND2-CA 3.25Å; N170-S255 PolarHBondContact ND2-N 2.85Å; N170-S255 WeakPolarHBondContact OD1-CA 3.17Å; N170-S255 WeakPolarHBondContact OD1-CB 3.28Å; N170-S255 PolarHBondContact OD1-OG 3.12Å; G252-S255 WeakPolarHBondContact O-CB 3.25Å; G252-S255 PolarHBondContact O-N 3.35Å; Y253-S255 VanDerWaalsContact C-N 3.28Å; S255-L257 PolarHBondContact O-N 2.7Å; S255-L257 VanDerWaalsContact O-N 3.11Å; S255-L257 PolarHBondContact OG-N 3.45Å; S255-Y258 WeakPolarHBondContact O-CB 3.35Å; S255-Y258 PolarHBondContact O-N 2.8Å; S255-K261 VanDerWaalsContact O-CG 3.25Å; S255-K261 WeakPolarHBondContact O-CG 3.5Å
256P87.5Confident82Confident8 Ų839.9 Ų39.95%0.05221%0.206CC..THydrogen-bonded Turntrans-59.4-20.1168.5-24.334.2000114.2V60 Y169 Y258 M279 K488V60-P256 HydrophobicContact CG1-CG 4.44Å; Y169-P256 HydrophobicContact CE1-CB 4.12Å; Y169-P256 HydrophobicContact CE1-CG 4.1Å; P256-Y258 VanDerWaalsContact C-N 3.25Å; P256-M279 HydrophobicContact CB-CE 3.2Å; P256-M279 HydrophobicContact CB-SD 3.64Å; P256-M279 HydrophobicContact CG-CE 3.51Å; P256-K488 WeakPolarHBondContact O-CE 3.42Å; P256-K488 PolarHBondContact O-NZ 3.04Å
257L90.1Very high79Confident0 Ų043.3 Ų43.30%022%0.224CC..THydrogen-bonded Turntrans-72.7-19.1171.4-66.9-168.8000113T166 Y169 S255 V259 I281 F284 L463 F489 L492T166-L257 HydrophobicContact CG2-CB 3.91Å; Y169-L257 HydrophobicContact CD1-CD1 4.03Å; Y169-L257 HydrophobicContact CD1-CG 3.67Å; Y169-L257 HydrophobicContact CD2-CD1 3.64Å; Y169-L257 HydrophobicContact CD2-CD2 4.37Å; Y169-L257 HydrophobicContact CD2-CG 3.95Å; Y169-L257 HydrophobicContact CE1-CD2 4.2Å; Y169-L257 HydrophobicContact CE1-CG 3.81Å; Y169-L257 HydrophobicContact CE2-CD1 4.2Å; Y169-L257 HydrophobicContact CE2-CD2 4.1Å; Y169-L257 HydrophobicContact CE2-CG 4.12Å; Y169-L257 HydrophobicContact CG-CD1 3.48Å; Y169-L257 VanDerWaalsContact CG-CD1 3.48Å; Y169-L257 HydrophobicContact CG-CG 3.66Å; S255-L257 PolarHBondContact O-N 2.7Å; S255-L257 VanDerWaalsContact O-N 3.11Å; S255-L257 PolarHBondContact OG-N 3.45Å; L257-V259 PolarHBondContact O-N 2.91Å; L257-I281 HydrophobicContact CD2-CD1 3.63Å; L257-F284 HydrophobicContact CD1-CE1 4.35Å; L257-L463 HydrophobicContact CD1-CD1 4.13Å; L257-F489 HydrophobicContact CB-CE1 3.99Å; L257-F489 HydrophobicContact CD2-CE1 4.28Å; L257-L492 HydrophobicContact CD2-CD1 3.66Å
258Y91Very high76.1Confident38 Ų3849.6 Ų49.615%0.14926%0.263CS..SBendtrans-66.7134.3-176.1-166-101.4000111.2Y162 Y253 S255 P256 D260 K261 K488Y162-Y258 AromaticContact CE1-CD2 3.85Å; Y162-Y258 HydrophobicContact CE1-CD2 3.85Å; Y162-Y258 AromaticContact CE1-CE2 3.97Å; Y162-Y258 HydrophobicContact CE1-CE2 3.97Å; Y162-Y258 WeakPolarHBondContact OH-CA 3.35Å; Y253-Y258 HydrophobicContact CD1-CD2 4.04Å; Y253-Y258 HydrophobicContact CD1-CE1 4.14Å; Y253-Y258 AromaticContact CD1-CE2 3.34Å; Y253-Y258 HydrophobicContact CD1-CE2 3.34Å; Y253-Y258 AromaticContact CD1-CZ 3.41Å; Y253-Y258 VanDerWaalsContact CD1-CZ 3.41Å; Y253-Y258 WeakPolarHBondContact CD1-OH 3.47Å; Y253-Y258 AromaticContact CE1-CE2 3.7Å; Y253-Y258 HydrophobicContact CE1-CE2 3.7Å; Y253-Y258 AromaticContact CE1-CZ 3.81Å; Y253-Y258 WeakPolarHBondContact CE1-OH 3.34Å; Y253-Y258 HydrophobicContact CG-CE2 4.45Å; S255-Y258 WeakPolarHBondContact O-CB 3.35Å; S255-Y258 PolarHBondContact O-N 2.8Å; P256-Y258 VanDerWaalsContact C-N 3.25Å; Y258-D260 VanDerWaalsContact C-N 3.25Å; Y258-D260 HydrophobicContact CD1-CB 4.18Å; Y258-D260 HydrophobicContact CE1-CB 4.15Å; Y258-D260 WeakPolarHBondContact CE1-OD2 3.23Å; Y258-D260 PolarHBondContact O-N 2.84Å; Y258-D260 VanDerWaalsContact O-N 3.1Å; Y258-K261 WeakPolarHBondContact O-CB 3.24Å; Y258-K261 PolarHBondContact O-N 3.08Å; Y258-K488 PolarHBondContact O-NZ 3.2Å
259V87.1Confident73Confident24 Ų2455.5 Ų55.515%0.14530%0.295CS..THydrogen-bonded Turntrans-50.6-39.2-16962.30000114.2Y162 L257 K261 K484Y162-V259 PolarHBondContact OH-N 3.03Å; L257-V259 PolarHBondContact O-N 2.91Å; V259-K261 PolarHBondContact O-N 3.12Å; V259-K484 VanDerWaalsContact CG2-C 3.46Å; V259-K484 HydrophobicContact CG2-CB 3.86Å
260D83.1Confident69.9Low120 Ų12061.4 Ų61.464%0.64233%0.331SS*.THydrogen-bonded Turntrans-82.60.2-176-60.5-31.2000113.4Y258Y258-D260 VanDerWaalsContact C-N 3.25Å; Y258-D260 HydrophobicContact CD1-CB 4.18Å; Y258-D260 HydrophobicContact CE1-CB 4.15Å; Y258-D260 WeakPolarHBondContact CE1-OD2 3.23Å; Y258-D260 PolarHBondContact O-N 2.84Å; Y258-D260 VanDerWaalsContact O-N 3.1Å
261K80.3Confident67.2Low39 Ų3969.4 Ų69.417%0.1737%0.373CS..SBendtrans-86.3125.8173.9-56.6-51.4-176.7-167.70109.6Y253 S255 Y258 V259 K488Y253-K261 WeakPolarHBondContact O-CE 3.08Å; S255-K261 VanDerWaalsContact O-CG 3.25Å; S255-K261 WeakPolarHBondContact O-CG 3.5Å; Y258-K261 WeakPolarHBondContact O-CB 3.24Å; Y258-K261 PolarHBondContact O-N 3.08Å; V259-K261 PolarHBondContact O-N 3.12Å; K261-K488 PolarHBondContact O-NZ 3.25Å
262D69.9Low64.3Low136 Ų13670 Ų7073%0.72738%0.382SS*.  trans-60.9144.2172.1-64.8-39000110.1T264D262-T264 WeakPolarHBondContact CB-OG1 2.97Å; D262-T264 PolarHBondContact O-N 2.8Å; D262-T264 VanDerWaalsContact O-N 3.12Å
263I63.8Low61.7Low56 Ų5677.8 Ų77.829%0.28742%0.424SS..  trans-75.811.4174.9-57.9172.3000110I265 K488 E491 L492I263-I265 PolarHBondContact O-N 3.4Å; I263-K488 HydrophobicContact CD1-CG 4.09Å; I263-K488 HydrophobicContact CG1-CG 4.42Å; I263-E491 HydrophobicContact CD1-CB 4Å; I263-E491 VanDerWaalsContact CD1-OE2 3.23Å; I263-E491 WeakPolarHBondContact CD1-OE2 3.06Å; I263-L492 HydrophobicContact CG1-CD2 4.47Å; I263-L492 HydrophobicContact CG2-CD2 3.96Å
264T52.9Low59.2Low95 Ų9579.4 Ų79.458%0.58344%0.437SS*.  trans-54.596.4-164.6-15.70000112.2D262 N266D262-T264 WeakPolarHBondContact CB-OG1 2.97Å; D262-T264 PolarHBondContact O-N 2.8Å; D262-T264 VanDerWaalsContact O-N 3.12Å; T264-N266 PolarHBondContact O-N 3.49Å
265I46.7Very low56.9Low84 Ų8485.9 Ų85.943%0.43147%0.471SS..  trans-6593.4158.7-54.6172.9000103.4I263 N267 D277I263-I265 PolarHBondContact O-N 3.4Å; I265-N267 HydrophobicContact CG2-CB 3.72Å; I265-N267 VanDerWaalsContact CG2-ND2 3.34Å; I265-N267 WeakPolarHBondContact CG2-ND2 3.06Å; I265-N267 PolarHBondContact O-N 2.98Å; I265-D277 HydrophobicContact CD1-CB 4.31Å; I265-D277 WeakPolarHBondContact CD1-O 3.43Å
266N35.1Very low55Low137 Ų13790 Ų9073%0.73349%0.493SS*.  trans-69.759.1166.7-75.8-20000109T264 T268T264-N266 PolarHBondContact O-N 3.49Å; N266-T268 VanDerWaalsContact C-N 3.33Å; N266-T268 PolarHBondContact O-N 3.38Å
267N33.1Very low53.6Low72 Ų7292.4 Ų92.439%0.38551%0.505SS..  trans-8979.3162-87.5-22000107.1I265 N269 D277I265-N267 HydrophobicContact CG2-CB 3.72Å; I265-N267 VanDerWaalsContact CG2-ND2 3.34Å; I265-N267 WeakPolarHBondContact CG2-ND2 3.06Å; I265-N267 PolarHBondContact O-N 2.98Å; N267-N269 PolarHBondContact O-N 3.07Å; N267-D277 PolarHBondContact ND2-OD1 2.75Å
268T34.2Very low52.6Low132 Ų13294.6 Ų94.681%0.8152%0.517SS*.  trans-71.57.7155.5450000112.4N266N266-T268 VanDerWaalsContact C-N 3.33Å; N266-T268 PolarHBondContact O-N 3.38Å
269N32.6Very low52Low125 Ų12594.7 Ų94.767%0.66852%0.519SS*.SBendtrans-12088.7168.7-75.8-31000110.5N267 N271N267-N269 PolarHBondContact O-N 3.07Å; N269-N271 PolarHBondContact O-N 3.47Å
270T31Very low52.1Low126 Ų12695.8 Ų95.877%0.77352%0.521SS*.THydrogen-bonded Turntrans-55.499.4158.349.90000108.3
271N35.1Very low52.5Low169 Ų16990.1 Ų90.190%0.90449%0.491SS*.THydrogen-bonded Turntrans165.27157.7-84.6-18.5000114.5N269 N273N269-N271 PolarHBondContact O-N 3.47Å; N271-N273 PolarHBondContact O-N 3.14Å
272S33.7Very low53Low42 Ų4290.1 Ų90.129%0.29449%0.492SS..  trans-95.199.4-179.6173.70000111.9N274S272-N274 PolarHBondContact O-N 3.03Å; S272-N274 WeakPolarHBondContact OG-CB 3.09Å; S272-N274 PolarHBondContact OG-N 2.69Å; S272-N274 PolarHBondContact OG-ND2 3.33Å
273N36.7Very low54.1Low164 Ų16486.7 Ų86.788%0.87747%0.471SS*.  trans-68.933.5164.9-80.3-23.4000112.6N271N271-N273 PolarHBondContact O-N 3.14Å
274N38.5Very low55.6Low99 Ų9984.1 Ų84.153%0.52946%0.458SS..  trans-90.1128.4-176.6-67.8-22.9000109.4S272 N276 D277S272-N274 PolarHBondContact O-N 3.03Å; S272-N274 WeakPolarHBondContact OG-CB 3.09Å; S272-N274 PolarHBondContact OG-N 2.69Å; S272-N274 PolarHBondContact OG-ND2 3.33Å; N274-N276 PolarHBondContact O-N 3.1Å; N274-D277 PolarHBondContact O-N 3.23Å
275N42.1Very low57.6Low137 Ų13779.6 Ų79.673%0.73343%0.43SS*.G310 helixtrans-55-1.1179.3-64.7-26.8000115.5D277N275-D277 PolarHBondContact O-N 3.23Å
276N51Low59.9Low87 Ų8778.3 Ų78.347%0.46542%0.422SS..G310 helixtrans-74.1-10.7179.3-65.5-2.1000113.3N274 N278 M279N274-N276 PolarHBondContact O-N 3.1Å; N276-N278 PolarHBondContact O-N 3.28Å; N276-N278 VanDerWaalsContact O-N 3.15Å; N276-M279 PolarHBondContact O-N 2.89Å
277D57.6Low62.8Low58 Ų5873.1 Ų73.131%0.3139%0.394SS..G310 helixtrans-63.2-20-176.4-74.4-6.7000113.9I265 N267 N274 N275I265-D277 HydrophobicContact CD1-CB 4.31Å; I265-D277 WeakPolarHBondContact CD1-O 3.43Å; N267-D277 PolarHBondContact ND2-OD1 2.75Å; N274-D277 PolarHBondContact O-N 3.23Å; N275-D277 PolarHBondContact O-N 3.23Å
278N68.3Low65.9Low46 Ų4669.7 Ų69.725%0.24638%0.375CS..G310 helixtrans-104.123.2179.5-63.6-20000113.7N276 Y280 I281 H494N276-N278 PolarHBondContact O-N 3.28Å; N276-N278 VanDerWaalsContact O-N 3.15Å; N278-Y280 PolarHBondContact O-N 2.99Å; N278-Y280 VanDerWaalsContact O-N 3.1Å; N278-I281 HydrophobicContact CB-CG2 3.78Å; N278-I281 WeakPolarHBondContact O-CB 3.45Å; N278-I281 WeakPolarHBondContact O-CG2 3.49Å; N278-I281 PolarHBondContact O-N 3.49Å; N278-H494 PolarHBondContact ND2-NE2 3.43Å; N278-H494 PolarHBondContact OD1-NE2 3.36Å
279M80.3Confident68.8Low40 Ų4063.4 Ų63.420%0.19734%0.337CS..THydrogen-bonded Turntrans56.528.1174.8-48.7-16876.300115.5F58 Y169 P256 N276 I281F58-M279 HydrophobicContact CE1-CE 4.29Å; Y169-M279 VanDerWaalsContact OH-CB 3.25Å; Y169-M279 WeakPolarHBondContact OH-CB 3.33Å; Y169-M279 PolarHBondContact OH-O 3.47Å; P256-M279 HydrophobicContact CB-CE 3.2Å; P256-M279 HydrophobicContact CB-SD 3.64Å; P256-M279 HydrophobicContact CG-CE 3.51Å; N276-M279 PolarHBondContact O-N 2.89Å; M279-I281 VanDerWaalsContact C-N 3.34Å
280Y88Confident71.8Confident47 Ų4762.2 Ų62.218%0.18433%0.33CS..THydrogen-bonded Turntrans66.424.5-174.3-52.8-75.7000115.7F58 N278 E282 E283 F284F58-Y280 HydrophobicContact CE1-CD2 4.16Å; F58-Y280 HydrophobicContact CE1-CE2 4.16Å; F58-Y280 HydrophobicContact CE2-CE2 4.26Å; F58-Y280 HydrophobicContact CZ-CD2 4.08Å; F58-Y280 AromaticContact CZ-CE2 3.72Å; F58-Y280 HydrophobicContact CZ-CE2 3.72Å; N278-Y280 PolarHBondContact O-N 2.99Å; N278-Y280 VanDerWaalsContact O-N 3.1Å; Y280-E282 PolarHBondContact O-N 2.71Å; Y280-E283 VanDerWaalsContact CA-OE2 3.25Å; Y280-E283 WeakPolarHBondContact CA-OE2 3.41Å; Y280-E283 HydrophobicContact CD1-CG 4.5Å; Y280-E283 PolarHBondContact O-N 3.13Å; Y280-F284 WeakPolarHBondContact O-CB 3.46Å; Y280-F284 PolarHBondContact O-N 3.07Å
281I91.1Very high74.8Confident1 Ų157.2 Ų57.21%0.00530%0.303CS..Hα-helixtrans-63.7-37.6-176.9-16159.1000113.7Y169 L257 N278 M279 F284 K285 L463 L492 R493Y169-I281 HydrophobicContact CE2-CD1 3.95Å; L257-I281 HydrophobicContact CD2-CD1 3.63Å; N278-I281 HydrophobicContact CB-CG2 3.78Å; N278-I281 WeakPolarHBondContact O-CB 3.45Å; N278-I281 WeakPolarHBondContact O-CG2 3.49Å; N278-I281 PolarHBondContact O-N 3.49Å; M279-I281 VanDerWaalsContact C-N 3.34Å; I281-F284 HydrophobicContact CD1-CD1 4.47Å; I281-F284 PolarHBondContact O-N 2.96Å; I281-K285 PolarHBondContact O-N 3.3Å; I281-L463 HydrophobicContact CD1-CD2 3.59Å; I281-L463 HydrophobicContact CG1-CD2 4.07Å; I281-L492 HydrophobicContact CG1-CB 4.4Å; I281-R493 HydrophobicContact CG1-CG 3.81Å; I281-R493 HydrophobicContact CG2-CG 4.25Å
282E91.5Very high77.7Confident39 Ų3949.4 Ų49.418%0.18226%0.261CS..Hα-helixtrans-74.9-36.9179.7-69.3-60.9133.600110.5Y280 F284 K285 Q286 N467 R493Y280-E282 PolarHBondContact O-N 2.71Å; E282-F284 VanDerWaalsContact C-N 3.31Å; E282-F284 PolarHBondContact O-N 3.2Å; E282-K285 WeakPolarHBondContact O-CB 3.38Å; E282-K285 PolarHBondContact O-N 3.06Å; E282-Q286 WeakPolarHBondContact O-CG 3.33Å; E282-Q286 PolarHBondContact O-N 3.1Å; E282-N467 PolarHBondContact OE2-OD1 2.88Å; E282-R493 IonicContact OE1-CZ 2.81Å; E282-R493 IonicContact OE1-NE 3.73Å; E282-R493 PolarHBondContact OE1-NE 2.83Å; E282-R493 IonicContact OE1-NH2 3.48Å; E282-R493 PolarHBondContact OE1-NH2 2.98Å; E282-R493 IonicContact OE2-NH2 2.71Å
283E92.9Very high80.6Confident65 Ų6554.1 Ų54.130%0.30428%0.283SS..Hα-helixtrans-65.8-35171.8-63.888.5154.200111.8F172 Y280 Q286 F287F172-E283 HydrophobicContact CE1-CB 4.44Å; F172-E283 HydrophobicContact CZ-CB 3.75Å; Y280-E283 VanDerWaalsContact CA-OE2 3.25Å; Y280-E283 WeakPolarHBondContact CA-OE2 3.41Å; Y280-E283 HydrophobicContact CD1-CG 4.5Å; Y280-E283 PolarHBondContact O-N 3.13Å; E283-Q286 PolarHBondContact O-N 3.25Å; E283-F287 WeakPolarHBondContact O-CB 3.18Å; E283-F287 PolarHBondContact O-N 3.06Å
284F95.2Very high83.3Confident1 Ų147 Ų470%0.00425%0.245CC..Hα-helixtrans-65.3-45.7172.7179.5-121.5000111.1M165 L168 Y169 F172 L257 Y280 I281 E282 Q286 F287 L288M165-F284 HydrophobicContact CG-CE1 3.82Å; M165-F284 HydrophobicContact CG-CZ 4.09Å; M165-F284 HydrophobicContact SD-CE1 3.53Å; M165-F284 VanDerWaalsContact SD-CE1 3.53Å; M165-F284 HydrophobicContact SD-CZ 3.48Å; M165-F284 WeakPolarHBondContact SD-CZ 3.35Å; L168-F284 HydrophobicContact CB-CE2 4.28Å; L168-F284 HydrophobicContact CB-CZ 4.07Å; Y169-F284 HydrophobicContact CD2-CB 3.98Å; Y169-F284 AromaticContact CD2-CD1 3.56Å; Y169-F284 HydrophobicContact CD2-CD1 3.56Å; Y169-F284 AromaticContact CD2-CD2 3.97Å; Y169-F284 HydrophobicContact CD2-CD2 3.97Å; Y169-F284 AromaticContact CD2-CE1 3.9Å; Y169-F284 HydrophobicContact CD2-CE1 3.9Å; Y169-F284 HydrophobicContact CD2-CE2 4.3Å; Y169-F284 AromaticContact CD2-CG 3.56Å; Y169-F284 HydrophobicContact CD2-CG 3.56Å; Y169-F284 HydrophobicContact CD2-CZ 4.25Å; Y169-F284 HydrophobicContact CE2-CB 4.07Å; Y169-F284 HydrophobicContact CE2-CD1 4.22Å; Y169-F284 HydrophobicContact CE2-CG 4.15Å; F172-F284 HydrophobicContact CB-CD2 3.7Å; F172-F284 HydrophobicContact CB-CE2 3.96Å; F172-F284 HydrophobicContact CD1-CB 3.8Å; F172-F284 AromaticContact CD1-CD2 3.64Å; F172-F284 HydrophobicContact CD1-CD2 3.64Å; F172-F284 HydrophobicContact CD1-CG 4.12Å; F172-F284 HydrophobicContact CD2-CD2 4.27Å; F172-F284 HydrophobicContact CE1-CB 3.67Å; F172-F284 HydrophobicContact CE1-CD2 4.32Å; F172-F284 HydrophobicContact CE1-CG 4.48Å; F172-F284 HydrophobicContact CG-CB 4.47Å; F172-F284 AromaticContact CG-CD2 3.6Å; F172-F284 HydrophobicContact CG-CD2 3.6Å; F172-F284 HydrophobicContact CG-CE2 4.35Å; F172-F284 HydrophobicContact CG-CG 4.49Å; F172-F284 HydrophobicContact CZ-CB 4.25Å; L257-F284 HydrophobicContact CD1-CE1 4.35Å; Y280-F284 WeakPolarHBondContact O-CB 3.46Å; Y280-F284 PolarHBondContact O-N 3.07Å; I281-F284 HydrophobicContact CD1-CD1 4.47Å; I281-F284 PolarHBondContact O-N 2.96Å; E282-F284 VanDerWaalsContact C-N 3.31Å; E282-F284 PolarHBondContact O-N 3.2Å; F284-Q286 VanDerWaalsContact C-N 3.33Å; F284-Q286 PolarHBondContact O-N 3.03Å; F284-F287 HydrophobicContact CD2-CD1 4.08Å; F284-F287 HydrophobicContact CE2-CD1 4.2Å; F284-F287 WeakPolarHBondContact O-CB 3.41Å; F284-F287 PolarHBondContact O-N 3.25Å; F284-F287 VanDerWaalsContact O-N 3.15Å; F284-L288 HydrophobicContact CD1-CD1 4.1Å; F284-L288 HydrophobicContact CE1-CD1 3.75Å; F284-L288 HydrophobicContact CE1-CG 4.41Å; F284-L288 HydrophobicContact CE2-CD1 4.44Å; F284-L288 HydrophobicContact CE2-CD2 4.2Å; F284-L288 HydrophobicContact CE2-CG 4.24Å; F284-L288 HydrophobicContact CZ-CD1 3.94Å; F284-L288 HydrophobicContact CZ-CD2 4.15Å; F284-L288 HydrophobicContact CZ-CG 4.2Å; F284-L288 WeakPolarHBondContact O-CG 3.36Å; F284-L288 PolarHBondContact O-N 3.47Å
285K95.6Very high85.5Confident1 Ų148.1 Ų48.10%0.00425%0.25CC..Hα-helixtrans-54.8-48.7171172.7-178.5168.7-169.80111I281 E282 F287 L288 L289 D296 L464 L465I281-K285 PolarHBondContact O-N 3.3Å; E282-K285 WeakPolarHBondContact O-CB 3.38Å; E282-K285 PolarHBondContact O-N 3.06Å; K285-F287 VanDerWaalsContact C-N 3.32Å; K285-F287 PolarHBondContact O-N 3.12Å; K285-L288 WeakPolarHBondContact O-CB 3.3Å; K285-L288 PolarHBondContact O-N 3.17Å; K285-L289 HydrophobicContact CG-CD1 4.19Å; K285-L289 HydrophobicContact CG-CG 4.47Å; K285-L289 WeakPolarHBondContact O-CG 3.21Å; K285-L289 PolarHBondContact O-N 3.03Å; K285-D296 WeakPolarHBondContact CE-OD2 3.14Å; K285-D296 IonicContact NZ-OD2 2.8Å; K285-D296 PolarHBondContact NZ-OD2 3.11Å; K285-L464 VanDerWaalsContact CE-O 3.31Å; K285-L464 WeakPolarHBondContact CE-O 3.35Å; K285-L464 HydrophobicContact CG-CD2 4.01Å; K285-L465 PolarHBondContact NZ-O 3.1Å
286Q94.9Very high87.2Confident56 Ų5642 Ų4226%0.26222%0.217SC..Hα-helixtrans-62.6-37.8177.6-66.8-52.9-47.900112.4E282 E283 F284 L288 L289 N290E282-Q286 WeakPolarHBondContact O-CG 3.33Å; E282-Q286 PolarHBondContact O-N 3.1Å; E283-Q286 PolarHBondContact O-N 3.25Å; F284-Q286 VanDerWaalsContact C-N 3.33Å; F284-Q286 PolarHBondContact O-N 3.03Å; Q286-L288 VanDerWaalsContact C-N 3.35Å; Q286-L288 PolarHBondContact O-N 3.21Å; Q286-L289 PolarHBondContact O-N 3.05Å; Q286-N290 WeakPolarHBondContact O-CB 3.27Å; Q286-N290 PolarHBondContact O-N 2.95Å; Q286-N290 PolarHBondContact O-ND2 2.98Å; Q286-N290 VanDerWaalsContact O-ND2 3.14Å
287F95.9Very high87.9Confident29 Ų2941.4 Ų41.413%0.12722%0.217CC..Hα-helixtrans-59.1-45.9174.2168.6-112.7000111.7F172 I182 L205 F206 E283 F284 K285 G291F172-F287 HydrophobicContact CB-CD1 4.21Å; F172-F287 HydrophobicContact CB-CE1 4.29Å; F172-F287 HydrophobicContact CD2-CB 3.77Å; F172-F287 AromaticContact CD2-CD1 3.63Å; F172-F287 HydrophobicContact CD2-CD1 3.63Å; F172-F287 HydrophobicContact CD2-CD2 4.24Å; F172-F287 HydrophobicContact CD2-CE1 4.26Å; F172-F287 AromaticContact CD2-CG 3.6Å; F172-F287 HydrophobicContact CD2-CG 3.6Å; F172-F287 HydrophobicContact CE2-CB 3.61Å; F172-F287 HydrophobicContact CE2-CD1 4.37Å; F172-F287 AromaticContact CE2-CG 3.95Å; F172-F287 HydrophobicContact CE2-CG 3.95Å; F172-F287 HydrophobicContact CG-CD1 4.18Å; I182-F287 HydrophobicContact CD1-CE2 3.5Å; I182-F287 HydrophobicContact CD1-CZ 3.86Å; I182-F287 HydrophobicContact CG1-CE2 3.95Å; L205-F287 HydrophobicContact CB-CE1 4.29Å; L205-F287 HydrophobicContact CB-CZ 3.85Å; L205-F287 HydrophobicContact CD1-CE1 3.87Å; L205-F287 HydrophobicContact CD1-CZ 4.3Å; L205-F287 HydrophobicContact CD2-CE1 4.3Å; L205-F287 HydrophobicContact CD2-CZ 4.31Å; L205-F287 HydrophobicContact CG-CE1 4.38Å; L205-F287 HydrophobicContact CG-CZ 4.38Å; F206-F287 AromaticContact CE1-CZ 3.9Å; F206-F287 HydrophobicContact CE1-CZ 3.9Å; F206-F287 HydrophobicContact CZ-CE1 4.44Å; F206-F287 HydrophobicContact CZ-CZ 4.11Å; E283-F287 WeakPolarHBondContact O-CB 3.18Å; E283-F287 PolarHBondContact O-N 3.06Å; F284-F287 HydrophobicContact CD2-CD1 4.08Å; F284-F287 HydrophobicContact CE2-CD1 4.2Å; F284-F287 WeakPolarHBondContact O-CB 3.41Å; F284-F287 PolarHBondContact O-N 3.25Å; F284-F287 VanDerWaalsContact O-N 3.15Å; K285-F287 VanDerWaalsContact C-N 3.32Å; K285-F287 PolarHBondContact O-N 3.12Å; F287-G291 PolarHBondContact O-N 3.34Å; F287-G291 VanDerWaalsContact O-N 3.16Å
288L97.2Very high88Confident0 Ų041.7 Ų41.70%021%0.214CC..Hα-helixtrans-60.4-49.7175.5-66174.3000111.6M165 L205 F284 K285 Q286 G291 Y292 F442 L464M165-L288 HydrophobicContact CE-CD1 4.08Å; M165-L288 HydrophobicContact SD-CD1 3.66Å; M165-L288 HydrophobicContact SD-CD2 4.25Å; L205-L288 HydrophobicContact CD1-CD2 3.59Å; L205-L288 HydrophobicContact CD2-CD2 4.29Å; F284-L288 HydrophobicContact CD1-CD1 4.1Å; F284-L288 HydrophobicContact CE1-CD1 3.75Å; F284-L288 HydrophobicContact CE1-CG 4.41Å; F284-L288 HydrophobicContact CE2-CD1 4.44Å; F284-L288 HydrophobicContact CE2-CD2 4.2Å; F284-L288 HydrophobicContact CE2-CG 4.24Å; F284-L288 HydrophobicContact CZ-CD1 3.94Å; F284-L288 HydrophobicContact CZ-CD2 4.15Å; F284-L288 HydrophobicContact CZ-CG 4.2Å; F284-L288 WeakPolarHBondContact O-CG 3.36Å; F284-L288 PolarHBondContact O-N 3.47Å; K285-L288 WeakPolarHBondContact O-CB 3.3Å; K285-L288 PolarHBondContact O-N 3.17Å; Q286-L288 VanDerWaalsContact C-N 3.35Å; Q286-L288 PolarHBondContact O-N 3.21Å; L288-G291 PolarHBondContact O-N 2.78Å; L288-Y292 WeakPolarHBondContact O-CD2 3.08Å; L288-F442 HydrophobicContact CB-CE2 3.97Å; L288-L464 HydrophobicContact CB-CD2 4.05Å; L288-L464 HydrophobicContact CD1-CD2 3.68Å
289L96.1Very high87.3Confident0 Ų043.5 Ų43.50%022%0.223CC..Hα-helixtrans-65.9-42.7-177.9-62.6-176.5000112.7K285 Q286 G291 Y292 N293 L294 D296 F442 I446 L464K285-L289 HydrophobicContact CG-CD1 4.19Å; K285-L289 HydrophobicContact CG-CG 4.47Å; K285-L289 WeakPolarHBondContact O-CG 3.21Å; K285-L289 PolarHBondContact O-N 3.03Å; Q286-L289 PolarHBondContact O-N 3.05Å; L289-G291 VanDerWaalsContact C-N 3.32Å; L289-G291 PolarHBondContact O-N 3.32Å; L289-Y292 CarbonylContact O-C 3.33Å; L289-Y292 PolarHBondContact O-N 3.05Å; L289-N293 PolarHBondContact O-N 2.91Å; L289-N293 VanDerWaalsContact O-N 3.15Å; L289-L294 HydrophobicContact CB-CB 4.24Å; L289-L294 HydrophobicContact CD2-CB 4.31Å; L289-L294 HydrophobicContact CD2-CD1 4.33Å; L289-L294 PolarHBondContact O-N 3.21Å; L289-D296 HydrophobicContact CD1-CB 3.98Å; L289-F442 HydrophobicContact CD2-CD2 4.27Å; L289-I446 HydrophobicContact CD1-CG2 4.03Å; L289-I446 HydrophobicContact CD2-CG2 3.46Å; L289-I446 VanDerWaalsContact CD2-CG2 3.46Å; L289-I446 HydrophobicContact CG-CG2 4.39Å; L289-L464 HydrophobicContact CD2-CD2 4.3Å
290N94.6Very high85.6Confident100 Ų10045.4 Ų45.454%0.53524%0.237SC..Hα-helixtrans-62.2-38.6179-74.3-25.1000112Q286 Y292 N293Q286-N290 WeakPolarHBondContact O-CB 3.27Å; Q286-N290 PolarHBondContact O-N 2.95Å; Q286-N290 PolarHBondContact O-ND2 2.98Å; Q286-N290 VanDerWaalsContact O-ND2 3.14Å; N290-Y292 PolarHBondContact O-N 3.07Å; N290-N293 PolarHBondContact O-N 3.1Å
291G95Very high83.3Confident20 Ų2046 Ų4621%0.20625%0.248CC..Hα-helixtrans-61.7-24.6175.700000113.7K204 F287 L288 L289K204-G291 WeakPolarHBondContact CE-O 3.39Å; K204-G291 WeakPolarHBondContact CG-O 3.43Å; F287-G291 PolarHBondContact O-N 3.34Å; F287-G291 VanDerWaalsContact O-N 3.16Å; L288-G291 PolarHBondContact O-N 2.78Å; L289-G291 VanDerWaalsContact C-N 3.32Å; L289-G291 PolarHBondContact O-N 3.32Å
292Y95.6Very high80.7Confident6 Ų651.2 Ų51.22%0.02428%0.275CS..THydrogen-bonded Turntrans-101.69.5175.9-75.2-92.5000113.7I201 K204 L205 L288 L289 N290 L294 I438 N439 F442I201-Y292 WeakPolarHBondContact CA-OH 3.39Å; K204-Y292 HydrophobicContact CB-CE1 4.49Å; K204-Y292 HydrophobicContact CB-CE2 4.34Å; K204-Y292 HydrophobicContact CG-CD1 4.23Å; K204-Y292 HydrophobicContact CG-CD2 4.31Å; K204-Y292 HydrophobicContact CG-CE1 3.99Å; K204-Y292 HydrophobicContact CG-CE2 4.07Å; K204-Y292 HydrophobicContact CG-CG 4.4Å; L205-Y292 HydrophobicContact CD2-CE2 4.47Å; L288-Y292 WeakPolarHBondContact O-CD2 3.08Å; L289-Y292 CarbonylContact O-C 3.33Å; L289-Y292 PolarHBondContact O-N 3.05Å; N290-Y292 PolarHBondContact O-N 3.07Å; Y292-L294 PolarHBondContact O-N 3.19Å; Y292-I438 HydrophobicContact CE1-CB 4.11Å; Y292-I438 HydrophobicContact CE1-CG2 3.92Å; Y292-I438 HydrophobicContact CE2-CG2 4.26Å; Y292-I438 VanDerWaalsContact OH-CG2 3.26Å; Y292-I438 WeakPolarHBondContact OH-CG2 3.13Å; Y292-N439 HydrophobicContact CD1-CB 3.93Å; Y292-N439 HydrophobicContact CE1-CB 4.37Å; Y292-N439 PolarHBondContact O-ND2 3.08Å; Y292-F442 AromaticContact CD2-CD2 3.77Å; Y292-F442 HydrophobicContact CD2-CD2 3.77Å; Y292-F442 AromaticContact CD2-CE2 3.52Å; Y292-F442 HydrophobicContact CD2-CE2 3.52Å; Y292-F442 HydrophobicContact CD2-CZ 4.38Å; Y292-F442 HydrophobicContact CE2-CD2 4.24Å; Y292-F442 AromaticContact CE2-CE2 3.66Å; Y292-F442 HydrophobicContact CE2-CE2 3.66Å; Y292-F442 HydrophobicContact CE2-CZ 4.07Å; Y292-F442 HydrophobicContact CG-CD2 4.11Å; Y292-F442 HydrophobicContact CG-CE2 4.31Å
293N94.8Very high77.8Confident141 Ų14156 Ų5675%0.75430%0.302SS*.THydrogen-bonded Turntrans53.637-175.5-56.8-41.9000112.9L289 N290L289-N293 PolarHBondContact O-N 2.91Å; L289-N293 VanDerWaalsContact O-N 3.15Å; N290-N293 PolarHBondContact O-N 3.1Å
294L93.9Very high75.1Confident14 Ų1459.5 Ų59.57%0.07332%0.323CS..  trans-100.5141.5176.8-58.5179.6000109.9L289 Y292 F442 K443 I446L289-L294 HydrophobicContact CB-CB 4.24Å; L289-L294 HydrophobicContact CD2-CB 4.31Å; L289-L294 HydrophobicContact CD2-CD1 4.33Å; L289-L294 PolarHBondContact O-N 3.21Å; Y292-L294 PolarHBondContact O-N 3.19Å; L294-F442 HydrophobicContact CD1-CB 3.46Å; L294-F442 VanDerWaalsContact CD1-CB 3.46Å; L294-F442 HydrophobicContact CD1-CD2 4.37Å; L294-F442 HydrophobicContact CD1-CG 4.45Å; L294-K443 HydrophobicContact CD1-CG 4.02Å; L294-K443 HydrophobicContact CD2-CD 4.18Å; L294-K443 HydrophobicContact CD2-CG 3.49Å; L294-K443 VanDerWaalsContact CD2-CG 3.49Å; L294-K443 HydrophobicContact CG-CG 4.43Å; L294-I446 HydrophobicContact CB-CD1 4.36Å
295I84.6Confident72.2Confident123 Ų12366.7 Ų66.763%0.63136%0.362SS*.  trans-107.7130.2177.4-58.8171.5000107.9T297I295-T297 VanDerWaalsContact C-N 3.29Å; I295-T297 PolarHBondContact O-N 3.15Å
296D77.6Confident69.1Low8 Ų873.7 Ų73.74%0.04340%0.399CS..  trans-73.686.5168.5-168-14000109.3K285 L289 Y298 N299K285-D296 WeakPolarHBondContact CE-OD2 3.14Å; K285-D296 IonicContact NZ-OD2 2.8Å; K285-D296 PolarHBondContact NZ-OD2 3.11Å; L289-D296 HydrophobicContact CD1-CB 3.98Å; D296-Y298 PolarHBondContact O-N 2.86Å; D296-Y298 VanDerWaalsContact O-N 3.15Å; D296-Y298 WeakPolarHBondContact OD1-CB 3.37Å; D296-Y298 PolarHBondContact OD1-N 3.1Å; D296-N299 PolarHBondContact O-N 2.94Å; D296-N299 VanDerWaalsContact O-N 3.13Å
297T66.1Low66.3Low75 Ų7579.7 Ų79.746%0.4643%0.433SS..G310 helixtrans-63-18.7-179.754.60000112.3I295 N299 V300I295-T297 VanDerWaalsContact C-N 3.29Å; I295-T297 PolarHBondContact O-N 3.15Å; T297-N299 PolarHBondContact O-N 2.94Å; T297-N299 VanDerWaalsContact O-N 3.12Å; T297-V300 PolarHBondContact O-N 3.18Å; T297-V300 VanDerWaalsContact O-N 3.16Å
298Y59.7Low63.2Low63 Ų6381 Ų8125%0.24746%0.455CS..G310 helixtrans-68.2-9.4177-129.5-89.4000112.1D296 P466 T468 I536 R543D296-Y298 PolarHBondContact O-N 2.86Å; D296-Y298 VanDerWaalsContact O-N 3.15Å; D296-Y298 WeakPolarHBondContact OD1-CB 3.37Å; D296-Y298 PolarHBondContact OD1-N 3.1Å; Y298-P466 HydrophobicContact CD1-CB 4.22Å; Y298-P466 HydrophobicContact CD2-CB 4.05Å; Y298-P466 HydrophobicContact CD2-CG 4.11Å; Y298-P466 HydrophobicContact CE2-CB 4.48Å; Y298-P466 HydrophobicContact CG-CB 3.89Å; Y298-P466 HydrophobicContact CG-CG 4.37Å; Y298-T468 HydrophobicContact CE1-CG2 3.84Å; Y298-T468 WeakPolarHBondContact CE1-OG1 3.01Å; Y298-T468 PolarHBondContact OH-OG1 2.95Å; Y298-I536 WeakPolarHBondContact OH-CD1 3.45Å; Y298-R543 PolarHBondContact O-NH1 2.75Å; Y298-R543 PolarHBondContact O-NH2 3.45Å
299N52.3Low60.1Low84 Ų8490.1 Ų90.145%0.44950%0.495SS..G310 helixtrans-99.2-1.1174.3-73-26.8000114.5D296 T297 R543D296-N299 PolarHBondContact O-N 2.94Å; D296-N299 VanDerWaalsContact O-N 3.13Å; T297-N299 PolarHBondContact O-N 2.94Å; T297-N299 VanDerWaalsContact O-N 3.12Å; N299-R543 PolarHBondContact OD1-NH2 3.49Å
300V46Very low57.1Low81 Ų8196.5 Ų96.549%0.49153%0.529SS..SBendtrans-98.4120.5-179.6-172.90000109.5T297 N302T297-V300 PolarHBondContact O-N 3.18Å; T297-V300 VanDerWaalsContact O-N 3.16Å; V300-N302 VanDerWaalsContact C-N 3.33Å; V300-N302 PolarHBondContact O-N 3.1Å
301C38.4Very low54.3Low60 Ų6098.1 Ų98.141%0.40554%0.538SS..  trans-62.996.9162.7-70.40000108N303 C545C301-N303 PolarHBondContact O-N 3.05Å; C301-C545 VanDerWaalsContact CA-SG 3.56Å; C301-C545 HydrophobicContact CB-CB 3.72Å; C301-C545 WeakPolarHBondContact CB-SG 3.29Å; C301-C545 WeakPolarHBondContact SG-CB 3.46Å; C301-C545 CovalentContact SG-SG 2.04Å; C301-C545 PolarHBondContact SG-SG 3.47Å
302N37.3Very low51.4Low109 Ų109103.8 Ų103.858%0.58356%0.563SS**  trans-69.5112.2168.2-78.6-7.3000108.1V300 D304V300-N302 VanDerWaalsContact C-N 3.33Å; V300-N302 PolarHBondContact O-N 3.1Å; N302-D304 PolarHBondContact O-N 3.28Å
303N30.5Very low48.7Very low139 Ų139111.3 Ų111.374%0.74360%0.604SS**  trans-70.471168-83.5-26.3000109.5C301 N305C301-N303 PolarHBondContact O-N 3.05Å; N303-N305 PolarHBondContact O-N 3.18Å
304D35.2Very low45.9Very low139 Ų139112.8 Ų112.874%0.74361%0.612SS**THydrogen-bonded Turntrans-78.447174.1-72.4-25.6000111.9N302N302-D304 PolarHBondContact O-N 3.28Å
305N34.7Very low43.1Very low152 Ų152115.5 Ų115.581%0.81364%0.643SS**THydrogen-bonded Turntrans-123.59.5177.1-88.1-25.6000114.7N303N303-N305 PolarHBondContact O-N 3.18Å
306N31.8Very low40.8Very low149 Ų149116.8 Ų116.880%0.79765%0.651SS**  trans-124.821.6-178.5-86.6-16.1000116.3G308N306-G308 VanDerWaalsContact C-N 3.34Å; N306-G308 PolarHBondContact O-N 3.45Å
307N34.3Very low38.9Very low181 Ų181124 Ų12497%0.96869%0.69SS**SBendtrans-90.376.7161.2-86.2-12.1000109.9
308G31.1Very low37.5Very low58 Ų58127.5 Ų127.560%0.59871%0.706SS**SBendtrans162.160.8174.100000114.1N306N306-G308 VanDerWaalsContact C-N 3.34Å; N306-G308 PolarHBondContact O-N 3.45Å
309K33.5Very low36.5Very low191 Ų191129.9 Ų129.983%0.8373%0.731SS**  trans174130.4146.4-97.1151.2-1711730112.3
310N32.9Very low35.7Very low133 Ų133131.5 Ų131.571%0.71174%0.74SS**  trans74.5103.5150.7-64.1-16000117
311N35Very low35.3Very low135 Ų135135.7 Ų135.772%0.72276%0.76SS**  71111.878.9-77.3-16.2000112.7
312N35.2Very low35.3Very low138 Ų138138.7 Ų138.774%0.73877%0.772SS**  trans41.7110.2136.5-61.8-12.7000117.1
313N37.5Very low35.5Very low165 Ų165140.9 Ų140.988%0.88278%0.784SS**  -174.1131.7110.5-90.1-26.7000112.6
314N36.2Very low35.9Very low172 Ų172139.5 Ų139.592%0.9278%0.784SS**  trans-48.4154.7165.1-83.7-30.9000113.9
315G36.3Very low36.1Very low70 Ų70139.4 Ų139.472%0.72278%0.784SS**  trans159.892.715000000115.9
316N35.6Very low36.3Very low150 Ų150138.8 Ų138.880%0.80278%0.781SS**  trans42.6122140.2-74.8-10.9000120.2
317N38.2Very low36.7Very low161 Ų161138.5 Ų138.586%0.86178%0.779SS**  -172.3126.6100.8-90.8-27.4000113.6
318N35.8Very low36.9Very low148 Ų148136 Ų13679%0.79178%0.776SS**  trans-59.3147.1166.7-90.9-24.9000113.4
319S38.3Very low37.3Very low113 Ų113136.9 Ų136.979%0.7979%0.785SS**  -172.896122.9-153.40000108.8
320N36.6Very low37.5Very low118 Ų118134.6 Ų134.663%0.63178%0.782SS**  48.2107.2101.5-77.6-3.6000115.4
321N37Very low37.9Very low169 Ų169135.9 Ų135.990%0.90479%0.788SS**  -151.7140.4122.5-129.1-8.9000113.6
322N39.4Very low38.2Very low123 Ų123135.5 Ų135.566%0.65879%0.786SS**  trans-96173.5-157.1-76.2-36.8000115
323N39.9Very low38.5Very low155 Ų155136.7 Ų136.783%0.82979%0.793SS**  trans87.5136.1154.7-68.2-12.6000116.9
324S39.7Very low38.7Very low109 Ų109132.6 Ų132.676%0.76279%0.789SS**  cis-156158.916-155.60000112
325N38.5Very low38.9Very low137 Ų137131.4 Ų131.473%0.73378%0.783SS**  trans-66.8156.2-176.4-59.8-41000114.9
326N40.7Very low39.2Very low139 Ų139135 Ų13574%0.74379%0.786SS**  168.1128.1104.3-88.2-25.7000114
327N39.7Very low39.5Very low144 Ų144134.1 Ų134.177%0.7778%0.781SS**  trans44.7115.3134.6-68-13.2000120.3
328S38.1Very low39.7Very low128 Ų128134 Ų13490%0.89578%0.78SS**  79.3118.482.4-167.40000113.5
329G39.4Very low40Very low76 Ų76131 Ų13178%0.78478%0.784SS**  trans176.484.7175.500000113.1
330N38.4Very low40Very low144 Ų144133.1 Ų133.177%0.7779%0.787SS**  trans-48.9143.6161.3-101.8-20000111.9
331N40.6Very low40.3Very low159 Ų159131.1 Ų131.185%0.8579%0.794SS**  -170.6137.5118-97.5-16.9000115.3
332N41.4Very low40.5Very low127 Ų127129.3 Ų129.368%0.67978%0.784SS**  trans-67.2165.6-180-71-37.5000117.3
333N41.7Very low40.6Very low164 Ų164131.2 Ų131.288%0.87779%0.794SS**  trans85.5128.6135.8-79.8-6.4000121.7
334G40.6Very low40.6Very low78 Ų78127.1 Ų127.180%0.80479%0.789SS**  trans172.186.6156.500000114.3
335N40.8Very low40.7Very low148 Ų148127.5 Ų127.579%0.79179%0.791SS**  trans-59.9158168.2-83.1-22.3000113.8
336N43.3Very low40.9Very low145 Ų145128 Ų12878%0.77579%0.794SS**  trans165.9109.3130.6-80.3-18.4000109.4
337N42.2Very low40.9Very low131 Ų131128.5 Ų128.570%0.70180%0.797SS**  83.1112.186.7-80.12.9000115.1
338D41.2Very low41Very low159 Ų159130 Ų13085%0.8581%0.805SS**  trans49.5126.7131.3-56.3-21000122.1
339G42Very low41.1Very low84 Ų84127.9 Ų127.987%0.86679%0.79SS**  trans-168.280.5167.400000112.4
340N39.7Very low41.1Very low159 Ų159131 Ų13185%0.8579%0.789SS**  trans-70.5147.4176.5-162.35.9000111.9
341G41.5Very low41.3Very low75 Ų75130.1 Ų130.177%0.77378%0.784SS**  trans-171.288.1178.500000114.9
342N41.1Very low41.3Very low132 Ų132128 Ų12871%0.70677%0.773SS**  trans-63152.2172.9-78.9-35.2000114.9
343N42.8Very low41.3Very low163 Ų163127.8 Ų127.887%0.87277%0.772SS**  155.8138.8108.5-91-30.8000115.8
344G39.6Very low41.2Very low69 Ų69127.6 Ų127.671%0.71177%0.771SS**  trans108.196.2143.700000116.2
345S42.4Very low41.1Very low117 Ų117127.5 Ų127.582%0.81877%0.769SS**  89.7118.766.1-81.70000116.1
346N40.9Very low40.9Very low147 Ų147128.1 Ų128.179%0.78677%0.772SS**  trans136.998.2139-76.2-13.8000112.4
347N40.9Very low40.9Very low150 Ų150129 Ų12980%0.80278%0.777SS**  55.9110.781.6-75.9-12.3000115.3
348N41.7Very low40.6Very low175 Ų175131.2 Ų131.294%0.93679%0.789SS**  -161.6142.5113.2-119.7-14.4000114.8
349S40Very low40.5Very low84 Ų84127.2 Ų127.259%0.58779%0.786SS**  trans-96.1157.3-171.9166.10000112.2
350N41.2Very low40.1Very low142 Ų142130.6 Ų130.676%0.75978%0.784SS**  168116.8128.6-82.1-15.7000110.3
351N41.1Very low40.1Very low124 Ų124130.4 Ų130.466%0.66378%0.781SS**  55.7132.487.9-84.4-3000112.4
352N41.3Very low39.8Very low116 Ų116133.6 Ų133.662%0.6278%0.781SS**  cis-176.415425.8-114.2-16.4000110.1
353N41.2Very low39.7Very low122 Ų122134.9 Ų134.965%0.65279%0.787SS**  trans75.5124.8134.8-65-17.9000125
354N39.8Very low39.2Very low160 Ų160134.4 Ų134.486%0.85679%0.785SS**  82.1130.2126.7-83.8-11.3000122.2
355G39.7Very low39.1Very low75 Ų75137.2 Ų137.277%0.77378%0.784SS**  trans154.178.5146.200000116.1
356N36.5Very low38.7Very low161 Ų161142.1 Ų142.186%0.86178%0.784SS**  trans-59.8143.6161-110.4-16.7000111
357N41.6Very low38.4Very low165 Ų165143 Ų14388%0.88279%0.789SS**  trans-165.4120139.1-98.3-19.9000112.9
358N37Very low38.1Very low176 Ų176141.4 Ų141.494%0.94179%0.79SS**  trans-71.9138.2163.4-96.6-25.6000110.1
359G38.9Very low37.6Very low76 Ų76140.3 Ų140.378%0.78478%0.784SS**  trans-152.4100.5172.900000110.8
360N32.6Very low37.5Very low155 Ų155143.8 Ų143.883%0.82980%0.796SS**  trans-84.5121.2-177.9-154.38.3000109.3
361I40.5Very low37Very low155 Ų155144.7 Ų144.780%0.79580%0.8SS**  trans-139.1106.9165.6-62.7-177.2000109.6
362N35.3Very low36.7Very low142 Ų142143.3 Ų143.376%0.75980%0.801SS**  trans-68.7137.9158.4-81.1-31.4000109.5
363N38.4Very low36.2Very low158 Ų158145.1 Ų145.185%0.84581%0.81SS**  trans-155.9117.5144.1-101.5-22.7000111.5
364N33.9Very low35.8Very low154 Ų154146 Ų14682%0.82482%0.815SS**  trans-64.1132.1166-70.8-38.8000110.1
365N37.4Very low35.6Very low128 Ų128145 Ų14568%0.68481%0.81SS**  trans-169.2117.7136.6-107.6-26.7000113.8
366R34Very low35.3Very low219 Ų219149.1 Ų149.183%0.82681%0.812SS**  trans62.3111130.2-70.4172.4-179.3166.70.8120.1
367N33.6Very low35.4Very low166 Ų166146.6 Ų146.689%0.88880%0.798SS**  31.3110.7127.1-75.8-3.2000117.7
368S35.3Very low35.3Very low117 Ų117144.7 Ų144.782%0.81879%0.788SS**  -151.7126.2128.8-164.90000110.4
369N31.6Very low35.8Very low151 Ų151141.5 Ų141.581%0.80777%0.77SS**  trans-49.7132.7171.4-70.2-36.5000111.2
370N36Very low36.4Very low157 Ų157143.3 Ų143.384%0.8476%0.762SS**  trans-148.6107.7148.4-92.9-28.3000109.7S372N370-S372 PolarHBondContact O-N 2.97Å; N370-S372 VanDerWaalsContact O-N 3.16Å
371N31.7Very low37.9Very low161 Ų161141.5 Ų141.586%0.86175%0.753SS**  trans-50.4113.1160.4-87.3-27000109.1
372S35Very low39.5Very low96 Ų96136.2 Ų136.267%0.67172%0.723SS**  trans-125.899.7158.4-830000107.7N370 N374N370-S372 PolarHBondContact O-N 2.97Å; N370-S372 VanDerWaalsContact O-N 3.16Å; S372-N374 PolarHBondContact O-N 2.63Å
373N29.9Very low41Very low154 Ų154134.8 Ų134.882%0.82471%0.71SS**  trans-59.379.2160.6-78.3-23.7000108.6N375N373-N375 VanDerWaalsContact C-N 3.34Å; N373-N375 PolarHBondContact O-N 3.1Å; N373-N375 VanDerWaalsContact O-N 3.15Å
374N34.5Very low43.1Very low139 Ų139131.5 Ų131.574%0.74370%0.7SS**  trans-78.693.1163.6-84.6-13.5000107.1S372 I376S372-N374 PolarHBondContact O-N 2.63Å; N374-I376 PolarHBondContact O-N 3.22Å
375N33.8Very low45.9Very low140 Ų140124.6 Ų124.675%0.74966%0.662SS**  trans-47.3105.1160.3-82.1-31.2000108.4N373 I377N373-N375 VanDerWaalsContact C-N 3.34Å; N373-N375 PolarHBondContact O-N 3.1Å; N373-N375 VanDerWaalsContact O-N 3.15Å; N375-I377 HydrophobicContact CB-CG1 4.17Å; N375-I377 PolarHBondContact O-N 3.06Å
376I34.3Very low48.7Very low162 Ų162119.8 Ų119.883%0.83164%0.636SS**  trans-65.981.5161-62.7172.2000105.3N374 N378N374-I376 PolarHBondContact O-N 3.22Å; I376-N378 PolarHBondContact O-N 2.89Å
377I39.4Very low51.8Low107 Ų107109.4 Ų109.455%0.54960%0.597SS.*  trans-62.5124.5167.4-64.9172.1000105.4N375 N379N375-I377 HydrophobicContact CB-CG1 4.17Å; N375-I377 PolarHBondContact O-N 3.06Å; I377-N379 PolarHBondContact O-N 3.42Å
378N38.6Very low54.8Low126 Ų126101.5 Ų101.567%0.67456%0.555SS**  trans-44.391.3179.4-93.6-26.9000112.7I376 N380 N381I376-N378 PolarHBondContact O-N 2.89Å; N378-N380 PolarHBondContact O-N 3.19Å; N378-N381 PolarHBondContact O-N 3.04Å
379N47Very low57.9Low108 Ų10896 Ų9658%0.57852%0.516SS*.THydrogen-bonded Turntrans-66.6-5.8-175.8-104.9-10.8000114.1I377 N381I377-N379 PolarHBondContact O-N 3.42Å; N379-N381 VanDerWaalsContact C-N 3.35Å
380N52.5Low61Low115 Ų11589.2 Ų89.262%0.61548%0.479SS*.THydrogen-bonded Turntrans-76.9-18.9178.8-77.2-19.2000113.5N378 K383N378-N380 PolarHBondContact O-N 3.19Å; N380-K383 PolarHBondContact OD1-NZ 2.93Å
381N63Low64Low117 Ų11782 Ų8263%0.62644%0.442SS*.SBendtrans-77.5-22.2-177.9-81.5-1.6000114.3N378 N379 S384N378-N381 PolarHBondContact O-N 3.04Å; N379-N381 VanDerWaalsContact C-N 3.35Å; N381-S384 PolarHBondContact O-OG 3.34Å
382Y75.1Confident67Low44 Ų4476.2 Ų76.217%0.17341%0.408CS..SBendtrans-83.8-17.1-178.9-57.6-27.9000113.3S384 I385 F425 F529Y382-S384 VanDerWaalsContact C-N 3.26Å; Y382-S384 PolarHBondContact O-N 3.18Å; Y382-I385 HydrophobicContact CD1-CD1 3.92Å; Y382-I385 PolarHBondContact O-N 3.4Å; Y382-F425 HydrophobicContact CG-CE1 4.42Å; Y382-F529 HydrophobicContact CD1-CZ 4.06Å; Y382-F529 HydrophobicContact CE1-CE1 4.31Å; Y382-F529 HydrophobicContact CE1-CE2 4.43Å; Y382-F529 AromaticContact CE1-CZ 3.56Å; Y382-F529 HydrophobicContact CE1-CZ 3.56Å
383K65.6Low69.8Low111 Ų11175.2 Ų75.248%0.48340%0.395SS..THydrogen-bonded Turntrans-66.9-22.9-179.3-70.2-179.2179.3171.60113.7N380 Y426 N427N380-K383 PolarHBondContact OD1-NZ 2.93Å; K383-Y426 HydrophobicContact CG-CD2 4.2Å; K383-N427 WeakPolarHBondContact O-CB 3.23Å
384S83.2Confident72.9Confident90 Ų9072 Ų7263%0.62938%0.377SS*.THydrogen-bonded Turntrans-89.9-817961.40000113.7N381 Y382 Q386N381-S384 PolarHBondContact O-OG 3.34Å; Y382-S384 VanDerWaalsContact C-N 3.26Å; Y382-S384 PolarHBondContact O-N 3.18Å; S384-Q386 PolarHBondContact O-N 2.87Å
385I92.8Very high75.7Confident8 Ų869 Ų694%0.04136%0.356CS..  trans-81.8109.5-173.1-54.6178.8000109.3Y382 I387 F425 N427 N449 F529 W532Y382-I385 HydrophobicContact CD1-CD1 3.92Å; Y382-I385 PolarHBondContact O-N 3.4Å; I385-I387 HydrophobicContact CG2-CG1 4.21Å; I385-F425 HydrophobicContact CB-CD1 4.32Å; I385-F425 HydrophobicContact CD1-CD1 4.39Å; I385-F425 HydrophobicContact CD1-CE1 3.98Å; I385-F425 HydrophobicContact CG2-CD1 4.43Å; I385-N427 WeakPolarHBondContact O-CB 3.32Å; I385-N449 WeakPolarHBondContact CA-OD1 3.3Å; I385-N449 HydrophobicContact CG2-CB 3.82Å; I385-F529 HydrophobicContact CD1-CE2 3.74Å; I385-W532 HydrophobicContact CB-CH2 4.39Å; I385-W532 HydrophobicContact CD1-CH2 3.57Å; I385-W532 HydrophobicContact CD1-CZ3 3.54Å; I385-W532 HydrophobicContact CG1-CH2 3.68Å; I385-W532 HydrophobicContact CG1-CZ3 4.19Å; I385-W532 HydrophobicContact CG2-CH2 3.89Å; I385-W532 HydrophobicContact CG2-CZ2 4.06Å; I385-W532 HydrophobicContact CG2-CZ3 4.36Å
386Q96.1Very high78.4Confident28 Ų2864.6 Ų64.613%0.13133%0.329CS..  trans-81.1120.1179.9-169.9176-7500111S384 I388 N427 L444 T448 N449 I450S384-Q386 PolarHBondContact O-N 2.87Å; Q386-I388 HydrophobicContact CG-CG1 4.42Å; Q386-N427 WeakPolarHBondContact CA-ND2 3.5Å; Q386-N427 WeakPolarHBondContact CA-O 3.43Å; Q386-N427 WeakPolarHBondContact CB-ND2 3.03Å; Q386-L444 PolarHBondContact NE2-O 3.06Å; Q386-T448 PolarHBondContact NE2-OG1 3.41Å; Q386-N449 PolarHBondContact N-OD1 3.43Å; Q386-N449 WeakPolarHBondContact O-CB 3.25Å; Q386-N449 PolarHBondContact O-N 3.15Å; Q386-I450 PolarHBondContact O-N 2.8Å
387I98.1Very high81Confident0 Ų057.8 Ų57.80%030%0.296CS..EExtended strand (participates in β ladder)trans-121.2130.1177.1-55.9167.1000108.7I385 L420 F425 N427 S428 F429 I450 I452 F525I385-I387 HydrophobicContact CG2-CG1 4.21Å; I387-L420 HydrophobicContact CB-CD1 4.5Å; I387-L420 HydrophobicContact CD1-CD2 4.38Å; I387-L420 HydrophobicContact CG2-CD1 3.81Å; I387-F425 HydrophobicContact CD1-CB 3.72Å; I387-F425 HydrophobicContact CD1-CD1 3.57Å; I387-F425 HydrophobicContact CD1-CE1 4.34Å; I387-F425 HydrophobicContact CD1-CG 3.69Å; I387-N427 PolarHBondContact N-O 3.08Å; I387-S428 CarbonylContact O-C 3.46Å; I387-S428 WeakPolarHBondContact O-CA 3.27Å; I387-F429 PolarHBondContact O-N 2.9Å; I387-I450 WeakPolarHBondContact CA-O 3.21Å; I387-I450 HydrophobicContact CG1-CB 4.22Å; I387-I450 HydrophobicContact CG2-CB 4.29Å; I387-I452 HydrophobicContact CG2-CD1 3.68Å; I387-I452 HydrophobicContact CG2-CG1 4.21Å; I387-F525 HydrophobicContact CD1-CE2 3.54Å; I387-F525 HydrophobicContact CD1-CZ 3.5Å; I387-F525 VanDerWaalsContact CD1-CZ 3.5Å; I387-F525 HydrophobicContact CG1-CE2 4.46Å
388I98.4Very high83.5Confident1 Ų155 Ų551%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-118.3129.7-179.6-65.2-175.5000109.7Q386 I390 I431 L444 T448 I450 L451 I452Q386-I388 HydrophobicContact CG-CG1 4.42Å; I388-I390 HydrophobicContact CG2-CG1 4.22Å; I388-I431 HydrophobicContact CD1-CG1 4.41Å; I388-I431 HydrophobicContact CG1-CG1 4.43Å; I388-I431 HydrophobicContact CG2-CB 3.89Å; I388-I431 HydrophobicContact CG2-CG1 3.77Å; I388-L444 HydrophobicContact CD1-CD1 3.6Å; I388-L444 HydrophobicContact CD1-CD2 3.77Å; I388-L444 HydrophobicContact CD1-CG 3.36Å; I388-T448 HydrophobicContact CB-CG2 4.13Å; I388-T448 HydrophobicContact CD1-CG2 4.13Å; I388-T448 WeakPolarHBondContact CD1-OG1 3.3Å; I388-T448 HydrophobicContact CG1-CG2 4.01Å; I388-I450 PolarHBondContact N-O 2.8Å; I388-L451 HydrophobicContact CB-CD1 3.89Å; I388-L451 HydrophobicContact CG2-CD1 3.88Å; I388-I452 WeakPolarHBondContact O-CA 3.48Å; I388-I452 WeakPolarHBondContact O-CB 3.22Å; I388-I452 PolarHBondContact O-N 3.46Å
389I98.7Very high86Confident1 Ų149 Ų491%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-102.3113.1164.5-55.2174.7000107.2S391 I410 L416 L420 F429 I430 I431 I452I389-S391 PolarHBondContact O-N 3.44Å; I389-I410 HydrophobicContact CG2-CD1 4.18Å; I389-L416 HydrophobicContact CD1-CB 3.88Å; I389-L420 HydrophobicContact CD1-CD1 3.99Å; I389-L420 HydrophobicContact CG1-CD1 4.4Å; I389-F429 PolarHBondContact N-O 2.85Å; I389-I430 HydrophobicContact CB-CG1 4.29Å; I389-I430 CarbonylContact O-C 3.4Å; I389-I430 WeakPolarHBondContact O-CA 3.45Å; I389-I431 PolarHBondContact O-N 2.96Å; I389-I452 CarbonylContact C-O 3.52Å; I389-I452 WeakPolarHBondContact CA-O 3.4Å; I389-I452 HydrophobicContact CG1-CB 4.19Å; I389-I452 HydrophobicContact CG1-CD1 4.29Å
390I98.4Very high88.2Confident8 Ų847.2 Ų47.24%0.04123%0.234CC..EExtended strand (participates in β ladder)trans-74.5118176-57.7-177.4000109.1I388 I431 L433 L451 I452 G458 L459I388-I390 HydrophobicContact CG2-CG1 4.22Å; I390-I431 CarbonylContact C-O 3.45Å; I390-I431 WeakPolarHBondContact CA-O 3.47Å; I390-L433 HydrophobicContact CD1-CD1 4.03Å; I390-L433 HydrophobicContact CG2-CD1 3.9Å; I390-L433 HydrophobicContact CG2-CG 4.33Å; I390-L451 HydrophobicContact CD1-CD1 3.92Å; I390-L451 HydrophobicContact CD1-CD2 4.33Å; I390-L451 HydrophobicContact CD1-CG 4.33Å; I390-L451 HydrophobicContact CG1-CD1 3.87Å; I390-I452 PolarHBondContact N-O 2.87Å; I390-G458 WeakPolarHBondContact CD1-O 3.37Å; I390-L459 HydrophobicContact CD1-CD2 4Å
391S97.8Very high90.1Very high7 Ų742.9 Ų42.95%0.04921%0.211CC..EExtended strand (participates in β ladder)trans-85.5156.3169.9-166.10000111I389 E413 I431I389-S391 PolarHBondContact O-N 3.44Å; S391-E413 WeakPolarHBondContact CA-OE1 3.49Å; S391-E413 WeakPolarHBondContact CB-OE2 3.35Å; S391-E413 PolarHBondContact OG-OE1 3.27Å; S391-E413 VanDerWaalsContact OG-OE1 3.1Å; S391-E413 PolarHBondContact OG-OE2 3.21Å; S391-I431 PolarHBondContact N-O 3.47Å
392R95.8Very high91.3Very high39 Ų3941.1 Ų41.115%0.14720%0.2CC..  trans-128.457.4-174.9-66.8176.360.4807.8110.9I406 N407 R408 K409R392-I406 HydrophobicContact CB-CG2 4.25Å; R392-N407 PolarHBondContact NE-O 3.11Å; R392-N407 PolarHBondContact NH2-O 2.68Å; R392-R408 WeakPolarHBondContact CD-O 3.39Å; R392-R408 PolarHBondContact NE-O 2.89Å; R392-K409 HydrophobicContact CB-CG 4.26Å; R392-K409 WeakPolarHBondContact O-CE 3.08Å; R392-K409 WeakPolarHBondContact O-CG 3.37Å
393N93Very high92.1Very high75 Ų7547.5 Ų47.540%0.40123%0.229SC..  trans-63.7163.3178-68.3-41000111.9Y395 I406 D432N393-Y395 WeakPolarHBondContact O-CD1 3.49Å; N393-I406 WeakPolarHBondContact O-CG1 3.31Å; N393-D432 VanDerWaalsContact CB-OD2 3.26Å; N393-D432 WeakPolarHBondContact CB-OD2 3.27Å; N393-D432 PolarHBondContact ND2-OD2 3.37Å
394N94.5Very high93.4Very high85 Ų8542.5 Ų42.546%0.45521%0.209SC..  trans-68132.8176.1-77.6-9.6000110.5G404 I405 I406 K409N394-G404 CarbonylContact C-O 3.54Å; N394-G404 WeakPolarHBondContact CA-O 3.34Å; N394-G404 WeakPolarHBondContact CB-O 3.34Å; N394-G404 PolarHBondContact OD1-O 2.81Å; N394-I405 WeakPolarHBondContact OD1-CA 3.33Å; N394-I406 PolarHBondContact OD1-N 3.41Å; N394-K409 PolarHBondContact OD1-NZ 3.5Å
395Y92.9Very high93.8Very high77 Ų7742.2 Ų42.230%0.30220%0.2SC..  trans-152.1154171.971.2-82.7000110.2N393 S397 N401 G404 I406 I434N393-Y395 WeakPolarHBondContact O-CD1 3.49Å; Y395-S397 VanDerWaalsContact CE2-CB 3.45Å; Y395-S397 PolarHBondContact O-N 2.84Å; Y395-N401 PolarHBondContact O-ND2 2.88Å; Y395-G404 PolarHBondContact N-O 3.25Å; Y395-G404 CarbonylContact O-C 3.56Å; Y395-G404 WeakPolarHBondContact O-CA 3.4Å; Y395-I406 HydrophobicContact CD1-CD1 3.94Å; Y395-I406 HydrophobicContact CD1-CG1 3.6Å; Y395-I406 HydrophobicContact CE1-CD1 3.53Å; Y395-I406 HydrophobicContact CE1-CG1 3.56Å; Y395-I434 HydrophobicContact CD1-CG1 4.39Å; Y395-I434 HydrophobicContact CD2-CD1 3.59Å; Y395-I434 HydrophobicContact CD2-CG1 3.88Å; Y395-I434 HydrophobicContact CE2-CD1 3.97Å; Y395-I434 HydrophobicContact CG-CB 4.36Å; Y395-I434 HydrophobicContact CG-CD1 4.01Å; Y395-I434 HydrophobicContact CG-CG1 3.77Å
396Y90.8Very high93.9Very high47 Ų4742.7 Ų42.718%0.18420%0.202CC..  trans-76.9112.9173.8179.7-87000109.7P84 M85 P399 N401P84-Y396 HydrophobicContact CB-CE1 3.79Å; P84-Y396 HydrophobicContact CG-CE1 3.84Å; P84-Y396 PolarHBondContact O-OH 3.33Å; M85-Y396 HydrophobicContact CE-CD1 3.47Å; M85-Y396 VanDerWaalsContact CE-CD1 3.47Å; M85-Y396 HydrophobicContact CE-CD2 3.6Å; M85-Y396 HydrophobicContact CE-CE1 3.71Å; M85-Y396 HydrophobicContact CE-CE2 3.8Å; M85-Y396 HydrophobicContact CE-CG 3.4Å; M85-Y396 VanDerWaalsContact CE-CG 3.4Å; M85-Y396 HydrophobicContact SD-CD1 4.43Å; M85-Y396 HydrophobicContact SD-CD2 4.16Å; M85-Y396 HydrophobicContact SD-CE1 4.08Å; M85-Y396 HydrophobicContact SD-CE2 3.76Å; M85-Y396 HydrophobicContact SD-CG 4.45Å; Y396-P399 WeakPolarHBondContact OH-CA 3.3Å; Y396-N401 WeakPolarHBondContact CD2-O 3.45Å
397S88.8Confident93.7Very high19 Ų1944.3 Ų44.313%0.13321%0.212CC..  trans-99.3-38-174.552.10000114.1A159 Y395 N401A159-S397 WeakPolarHBondContact CB-O 3.44Å; Y395-S397 VanDerWaalsContact CE2-CB 3.45Å; Y395-S397 PolarHBondContact O-N 2.84Å; S397-N401 WeakPolarHBondContact OG-CB 3.35Å; S397-N401 PolarHBondContact OG-ND2 3.24Å
398H91.8Very high93.5Very high48 Ų4847.1 Ų47.122%0.22222%0.222CC..SBendtrans-163.9169.3-176.559.186.9000109.8Y158 A159 R400 N401Y158-H398 HydrophobicContact CE1-CB 4.41Å; A159-H398 HydrophobicContact CB-CB 3.92Å; H398-R400 WeakPolarHBondContact ND1-CB 3.46Å; H398-R400 PolarHBondContact ND1-N 3.38Å; H398-R400 PolarHBondContact O-N 3.06Å; H398-N401 PolarHBondContact O-N 3.4Å
399P91.7Very high93.4Very high0 Ų049 Ų490%023%0.23CC..THydrogen-bonded Turntrans-62.1-19.6-172-16.222.7000116.3P84 V87 N89 Q90 Y158 P194 Y396 I402P84-P399 HydrophobicContact CB-CG 3.93Å; V87-P399 HydrophobicContact CG2-CB 4.4Å; V87-P399 HydrophobicContact CG2-CG 3.93Å; V87-P399 WeakPolarHBondContact O-CB 3.48Å; N89-P399 WeakPolarHBondContact CA-O 3.4Å; N89-P399 PolarHBondContact N-O 2.89Å; Q90-P399 HydrophobicContact CB-CB 4.35Å; Y158-P399 WeakPolarHBondContact OH-CD 3.43Å; P194-P399 HydrophobicContact CB-CG 4.36Å; P194-P399 HydrophobicContact CG-CG 3.73Å; Y396-P399 WeakPolarHBondContact OH-CA 3.3Å; P399-I402 WeakPolarHBondContact O-CG1 3.23Å
400R93.2Very high93.4Very high72 Ų7249.4 Ų49.427%0.27223%0.233SC..THydrogen-bonded Turntrans-88.4-4.6176.7-55.8167.1-75.2-72.212.1113Q90 E92 E95 H398Q90-R400 VanDerWaalsContact O-CD 3.31Å; Q90-R400 WeakPolarHBondContact O-CD 3.38Å; Q90-R400 WeakPolarHBondContact O-CG 3.23Å; Q90-R400 PolarHBondContact O-NH1 3.34Å; E92-R400 IonicContact OE1-NH2 3.78Å; E95-R400 IonicContact OE1-CZ 2.79Å; E95-R400 IonicContact OE1-NH1 2.75Å; E95-R400 PolarHBondContact OE1-NH1 3.28Å; E95-R400 IonicContact OE1-NH2 3.57Å; E95-R400 IonicContact OE2-CZ 3.88Å; E95-R400 IonicContact OE2-NH1 3.81Å; E95-R400 PolarHBondContact OE2-NH1 2.91Å; E95-R400 IonicContact OE2-NH2 3.96Å; E95-R400 PolarHBondContact OE2-NH2 2.89Å; H398-R400 WeakPolarHBondContact ND1-CB 3.46Å; H398-R400 PolarHBondContact ND1-N 3.38Å; H398-R400 PolarHBondContact O-N 3.06Å
401N91.9Very high93.3Very high23 Ų2353.1 Ų53.112%0.12325%0.252CS..  trans-114.255.2174.4-174.119.4000111.4Y395 Y396 S397 H398 K403 G404 I405Y395-N401 PolarHBondContact O-ND2 2.88Å; Y396-N401 WeakPolarHBondContact CD2-O 3.45Å; S397-N401 WeakPolarHBondContact OG-CB 3.35Å; S397-N401 PolarHBondContact OG-ND2 3.24Å; H398-N401 PolarHBondContact O-N 3.4Å; N401-K403 VanDerWaalsContact C-N 3.27Å; N401-K403 PolarHBondContact O-N 3.44Å; N401-G404 PolarHBondContact O-N 3.06Å; N401-G404 PolarHBondContact OD1-N 3.48Å; N401-I405 PolarHBondContact OD1-N 2.82Å; N401-I405 VanDerWaalsContact OD1-N 3.15Å; N401-I405 PolarHBondContact OD1-O 3.19Å
402I89Confident93.3Very high80 Ų8053 Ų5341%0.4125%0.251SS..THydrogen-bonded Turntrans-60.8-36.5-175.5-57.6-177.3000112.4P88 N89 P399 G404P88-I402 HydrophobicContact CB-CD1 3.66Å; N89-I402 HydrophobicContact CB-CD1 4.49Å; N89-I402 VanDerWaalsContact ND2-CD1 3.33Å; N89-I402 WeakPolarHBondContact ND2-CD1 3.31Å; N89-I402 WeakPolarHBondContact OD1-CD1 3.47Å; P399-I402 WeakPolarHBondContact O-CG1 3.23Å; I402-G404 PolarHBondContact O-N 3.26Å
403K90.9Very high93.4Very high178 Ų17852.6 Ų52.677%0.77425%0.251SS*.THydrogen-bonded Turntrans-72.7-10.9179-62.3-176.3179.7178.50112.9N401 I405N401-K403 VanDerWaalsContact C-N 3.27Å; N401-K403 PolarHBondContact O-N 3.44Å; K403-I405 HydrophobicContact CB-CD1 3.87Å; K403-I405 HydrophobicContact CB-CG1 3.86Å; K403-I405 HydrophobicContact CD-CD1 4.06Å; K403-I405 PolarHBondContact O-N 3.48Å
404G92.7Very high93.6Very high6 Ų654.2 Ų54.26%0.06226%0.259CS..  trans61.621.5-176.200000114N394 Y395 N401 I402 I406N394-G404 CarbonylContact C-O 3.54Å; N394-G404 WeakPolarHBondContact CA-O 3.34Å; N394-G404 WeakPolarHBondContact CB-O 3.34Å; N394-G404 PolarHBondContact OD1-O 2.81Å; Y395-G404 PolarHBondContact N-O 3.25Å; Y395-G404 CarbonylContact O-C 3.56Å; Y395-G404 WeakPolarHBondContact O-CA 3.4Å; N401-G404 PolarHBondContact O-N 3.06Å; N401-G404 PolarHBondContact OD1-N 3.48Å; I402-G404 PolarHBondContact O-N 3.26Å; G404-I406 PolarHBondContact O-N 3.12Å
405I93Very high93.8Very high85 Ų8554.6 Ų54.644%0.43626%0.258SS..  trans-78.7127.1-175.6-63.8172.4000108.7N394 N401 K403N394-I405 WeakPolarHBondContact OD1-CA 3.33Å; N401-I405 PolarHBondContact OD1-N 2.82Å; N401-I405 VanDerWaalsContact OD1-N 3.15Å; N401-I405 PolarHBondContact OD1-O 3.19Å; K403-I405 HydrophobicContact CB-CD1 3.87Å; K403-I405 HydrophobicContact CB-CG1 3.86Å; K403-I405 HydrophobicContact CD-CD1 4.06Å; K403-I405 PolarHBondContact O-N 3.48Å
406I93.5Very high94.1Very high17 Ų1750.9 Ų50.99%0.08724%0.244CC..  trans-116.1135.2176-55.9-63.2000109.4R392 N393 N394 Y395 G404 K409R392-I406 HydrophobicContact CB-CG2 4.25Å; N393-I406 WeakPolarHBondContact O-CG1 3.31Å; N394-I406 PolarHBondContact OD1-N 3.41Å; Y395-I406 HydrophobicContact CD1-CD1 3.94Å; Y395-I406 HydrophobicContact CD1-CG1 3.6Å; Y395-I406 HydrophobicContact CE1-CD1 3.53Å; Y395-I406 HydrophobicContact CE1-CG1 3.56Å; G404-I406 PolarHBondContact O-N 3.12Å; I406-K409 WeakPolarHBondContact O-CE 3.02Å; I406-K409 PolarHBondContact O-NZ 3.49Å; I406-K409 VanDerWaalsContact O-NZ 3.13Å
407N92.7Very high94.5Very high63 Ų6349.9 Ų49.934%0.33724%0.241SC..  trans-94.5169.5-176.7-575.3000111.2R392 D512R392-N407 PolarHBondContact NE-O 3.11Å; R392-N407 PolarHBondContact NH2-O 2.68Å; N407-D512 HydrophobicContact CB-CB 3.79Å; N407-D512 PolarHBondContact ND2-OD2 2.75Å; N407-D512 VanDerWaalsContact ND2-OD2 3.15Å; N407-D512 PolarHBondContact OD1-OD2 2.73Å
408R94.9Very high94.9Very high59 Ų5953.2 Ų53.222%0.22326%0.257CS..  trans67.456.5175.9-56.5-178.1-73.5-79.81.7112.5R392 M454 H455 P476 Y478 C479 D512R392-R408 WeakPolarHBondContact CD-O 3.39Å; R392-R408 PolarHBondContact NE-O 2.89Å; R408-M454 HydrophobicContact CB-CB 4.43Å; R408-M454 HydrophobicContact CB-CE 4.12Å; R408-M454 WeakPolarHBondContact O-CB 3.45Å; R408-M454 WeakPolarHBondContact O-CG 3.1Å; R408-H455 WeakPolarHBondContact CD-O 3.29Å; R408-H455 PolarHBondContact NE-O 2.84Å; R408-P476 HydrophobicContact CG-CG 4.22Å; R408-Y478 WeakPolarHBondContact CA-OH 3.47Å; R408-Y478 HydrophobicContact CG-CE2 4.38Å; R408-Y478 PolarHBondContact N-OH 2.68Å; R408-C479 VanDerWaalsContact CD-SG 3.51Å; R408-D512 WeakPolarHBondContact CA-O 3.36Å; R408-D512 PolarHBondContact N-O 2.95Å
409K96.2Very high95.3Very high40 Ų4052.1 Ų52.117%0.17425%0.252CS..EExtended strand (participates in β ladder)trans-93.3157.5177.5-66.2170179.4148.80111.7R392 N394 I406 D512 T513 S514R392-K409 HydrophobicContact CB-CG 4.26Å; R392-K409 WeakPolarHBondContact O-CE 3.08Å; R392-K409 WeakPolarHBondContact O-CG 3.37Å; N394-K409 PolarHBondContact OD1-NZ 3.5Å; I406-K409 WeakPolarHBondContact O-CE 3.02Å; I406-K409 PolarHBondContact O-NZ 3.49Å; I406-K409 VanDerWaalsContact O-NZ 3.13Å; K409-D512 PolarHBondContact N-O 3.48Å; K409-T513 HydrophobicContact CB-CG2 3.76Å; K409-T513 HydrophobicContact CD-CG2 4.32Å; K409-T513 CarbonylContact O-C 3.56Å; K409-T513 VanDerWaalsContact O-CA 3.24Å; K409-T513 WeakPolarHBondContact O-CA 3.43Å; K409-S514 PolarHBondContact O-N 3.34Å
410I97.4Very high95.6Very high10 Ų1052.1 Ų52.15%0.05125%0.252CS..EExtended strand (participates in β ladder)trans-96.2122168.3-56.8166000106.6I389 N412 E413 L416 M454 L474 S514 I516I389-I410 HydrophobicContact CG2-CD1 4.18Å; I410-N412 VanDerWaalsContact C-N 3.34Å; I410-N412 WeakPolarHBondContact CG2-OD1 3.46Å; I410-E413 HydrophobicContact CB-CG 3.48Å; I410-E413 VanDerWaalsContact CB-CG 3.48Å; I410-E413 HydrophobicContact CD1-CG 4.32Å; I410-E413 HydrophobicContact CG1-CG 4.46Å; I410-E413 HydrophobicContact CG2-CG 3.67Å; I410-E413 WeakPolarHBondContact O-CG 3.43Å; I410-L416 HydrophobicContact CD1-CD1 4.38Å; I410-L416 HydrophobicContact CG2-CD1 3.84Å; I410-M454 HydrophobicContact CD1-CG 3.97Å; I410-M454 HydrophobicContact CG1-CG 3.43Å; I410-M454 VanDerWaalsContact CG1-CG 3.43Å; I410-M454 HydrophobicContact CG1-SD 3.9Å; I410-L474 HydrophobicContact CD1-CD1 3.64Å; I410-L474 HydrophobicContact CG1-CD1 4.39Å; I410-S514 WeakPolarHBondContact CA-O 3.4Å; I410-I516 HydrophobicContact CG1-CG1 4.49Å; I410-I516 HydrophobicContact CG2-CG1 3.97Å
411N96Very high95.7Very high85 Ų8551 Ų5146%0.45525%0.249SC..THydrogen-bonded Turntrans-84.3-9.9-177.964.814.9000113.6T513 S514 Y515N411-T513 HydrophobicContact CB-CG2 4.49Å; N411-S514 PolarHBondContact N-O 3.12Å; N411-S514 PolarHBondContact OD1-O 2.7Å; N411-Y515 WeakPolarHBondContact OD1-CA 3.48Å; N411-Y515 WeakPolarHBondContact OD1-CB 3.44Å; N411-Y515 WeakPolarHBondContact OD1-CD2 3.39Å
412N97.8Very high96Very high6 Ų656.9 Ų56.93%0.03228%0.276CS..THydrogen-bonded Turntrans-122.731.2-178.570.1-39.4000113.9I410 L414 Q415 L416 Y515 I516I410-N412 VanDerWaalsContact C-N 3.34Å; I410-N412 WeakPolarHBondContact CG2-OD1 3.46Å; N412-L414 PolarHBondContact O-N 2.73Å; N412-L414 VanDerWaalsContact O-N 3.16Å; N412-Q415 HydrophobicContact CB-CB 4.35Å; N412-Q415 HydrophobicContact CB-CG 4.28Å; N412-Q415 WeakPolarHBondContact O-CB 3.45Å; N412-Q415 PolarHBondContact O-N 3.3Å; N412-L416 PolarHBondContact O-N 2.99Å; N412-Y515 HydrophobicContact CB-CD2 3.67Å; N412-Y515 HydrophobicContact CB-CE2 3.68Å; N412-Y515 VanDerWaalsContact CG-CD2 3.44Å; N412-Y515 WeakPolarHBondContact ND2-CE2 3.41Å; N412-I516 PolarHBondContact ND2-O 2.94Å; N412-I516 PolarHBondContact OD1-N 3.36Å
413E98.1Very high96.3Very high29 Ų2955.2 Ų55.214%0.13627%0.267CS..Hα-helixtrans-50.2-43-178.3-66.9176.9167.600112.9S391 I410 Q415 L416 L417 I430S391-E413 WeakPolarHBondContact CA-OE1 3.49Å; S391-E413 WeakPolarHBondContact CB-OE2 3.35Å; S391-E413 PolarHBondContact OG-OE1 3.27Å; S391-E413 VanDerWaalsContact OG-OE1 3.1Å; S391-E413 PolarHBondContact OG-OE2 3.21Å; I410-E413 HydrophobicContact CB-CG 3.48Å; I410-E413 VanDerWaalsContact CB-CG 3.48Å; I410-E413 HydrophobicContact CD1-CG 4.32Å; I410-E413 HydrophobicContact CG1-CG 4.46Å; I410-E413 HydrophobicContact CG2-CG 3.67Å; I410-E413 WeakPolarHBondContact O-CG 3.43Å; E413-Q415 VanDerWaalsContact C-N 3.28Å; E413-Q415 PolarHBondContact O-N 2.95Å; E413-L416 WeakPolarHBondContact O-CB 3.4Å; E413-L416 PolarHBondContact O-N 3.29Å; E413-L416 VanDerWaalsContact O-N 3.14Å; E413-L417 PolarHBondContact O-N 3.47Å; E413-I430 HydrophobicContact CB-CD1 3.71Å; E413-I430 HydrophobicContact CB-CG1 4.28Å
414L98.4Very high96.5Very high109 Ų10947.1 Ų47.157%0.57124%0.235SC*.Hα-helixtrans-62.8-34.5179.5-176.359.4000112.3N412 N418N412-L414 PolarHBondContact O-N 2.73Å; N412-L414 VanDerWaalsContact O-N 3.16Å; L414-N418 VanDerWaalsContact O-CB 3.29Å; L414-N418 WeakPolarHBondContact O-CB 3.37Å; L414-N418 PolarHBondContact O-N 3.4Å; L414-N418 PolarHBondContact O-ND2 2.87Å
415Q98.7Very high96.7Very high93 Ų9347 Ų4744%0.43523%0.232SC..Hα-helixtrans-70-38.9175.9-59.2-179.311.400111.2N412 E413 N418 K419 I518N412-Q415 HydrophobicContact CB-CB 4.35Å; N412-Q415 HydrophobicContact CB-CG 4.28Å; N412-Q415 WeakPolarHBondContact O-CB 3.45Å; N412-Q415 PolarHBondContact O-N 3.3Å; E413-Q415 VanDerWaalsContact C-N 3.28Å; E413-Q415 PolarHBondContact O-N 2.95Å; Q415-N418 PolarHBondContact O-N 2.71Å; Q415-K419 WeakPolarHBondContact O-CB 3.49Å; Q415-K419 PolarHBondContact O-N 2.83Å; Q415-I518 HydrophobicContact CB-CD1 3.61Å; Q415-I518 HydrophobicContact CB-CG1 4.44Å
416L98.7Very high96.8Very high0 Ų049.7 Ų49.70%024%0.238CC..Hα-helixtrans-61.7-47.3173.9-52.4-174.2000110.9I389 I410 N412 E413 N418 K419 L420 I516 I518 F521I389-L416 HydrophobicContact CD1-CB 3.88Å; I410-L416 HydrophobicContact CD1-CD1 4.38Å; I410-L416 HydrophobicContact CG2-CD1 3.84Å; N412-L416 PolarHBondContact O-N 2.99Å; E413-L416 WeakPolarHBondContact O-CB 3.4Å; E413-L416 PolarHBondContact O-N 3.29Å; E413-L416 VanDerWaalsContact O-N 3.14Å; L416-N418 PolarHBondContact O-N 3.25Å; L416-K419 WeakPolarHBondContact O-CB 3.28Å; L416-K419 PolarHBondContact O-N 2.92Å; L416-L420 WeakPolarHBondContact O-CG 3.4Å; L416-L420 PolarHBondContact O-N 3.17Å; L416-I516 HydrophobicContact CD1-CB 4.18Å; L416-I516 HydrophobicContact CD1-CG1 4.28Å; L416-I516 HydrophobicContact CD2-CB 4.08Å; L416-I516 HydrophobicContact CD2-CG2 4.31Å; L416-I518 HydrophobicContact CD2-CD1 3.66Å; L416-F521 HydrophobicContact CB-CD1 4.27Å; L416-F521 HydrophobicContact CB-CE1 3.98Å; L416-F521 HydrophobicContact CB-CE2 4.28Å; L416-F521 HydrophobicContact CB-CZ 3.99Å; L416-F521 HydrophobicContact CD1-CD2 4.22Å; L416-F521 HydrophobicContact CD1-CE2 4.28Å; L416-F521 HydrophobicContact CD2-CB 3.87Å; L416-F521 HydrophobicContact CD2-CD1 3.89Å; L416-F521 HydrophobicContact CD2-CD2 3.99Å; L416-F521 HydrophobicContact CD2-CE1 4.45Å; L416-F521 HydrophobicContact CD2-CG 3.63Å; L416-F521 HydrophobicContact CG-CD2 4.49Å; L416-F521 HydrophobicContact CG-CG 4.49Å
417L98.7Very high96.9Very high26 Ų2650.8 Ų50.814%0.13624%0.244CC..Hα-helixtrans-59.2-48.4176178.561.8000111.5E413 K419 L420 K421 S428 I430E413-L417 PolarHBondContact O-N 3.47Å; L417-K419 VanDerWaalsContact C-N 3.26Å; L417-K419 PolarHBondContact O-N 3.15Å; L417-L420 WeakPolarHBondContact O-CB 3.47Å; L417-L420 PolarHBondContact O-N 2.97Å; L417-L420 VanDerWaalsContact O-N 3.13Å; L417-K421 WeakPolarHBondContact O-CG 3.38Å; L417-K421 PolarHBondContact O-N 2.81Å; L417-S428 WeakPolarHBondContact CD1-O 3.43Å; L417-I430 HydrophobicContact CB-CD1 3.9Å; L417-I430 HydrophobicContact CB-CG1 4.14Å; L417-I430 HydrophobicContact CD2-CD1 3.81Å; L417-I430 HydrophobicContact CD2-CG1 4.07Å; L417-I430 HydrophobicContact CG-CD1 4.46Å
418N98.5Very high97.2Very high88 Ų8847.8 Ų47.847%0.47123%0.228SC..Hα-helixtrans-59.9-38.5178.5-73.2-16.2000111.7L414 Q415 L416 K421 Q422L414-N418 VanDerWaalsContact O-CB 3.29Å; L414-N418 WeakPolarHBondContact O-CB 3.37Å; L414-N418 PolarHBondContact O-N 3.4Å; L414-N418 PolarHBondContact O-ND2 2.87Å; Q415-N418 PolarHBondContact O-N 2.71Å; L416-N418 PolarHBondContact O-N 3.25Å; N418-K421 PolarHBondContact O-N 3.15Å; N418-Q422 WeakPolarHBondContact O-CB 3.44Å; N418-Q422 PolarHBondContact O-N 2.88Å
419K98.4Very high97.3Very high26 Ų2649 Ų4911%0.11324%0.235CC..Hα-helixtrans-63.3-43.1174.9-175.260.1175.4179.90111.9Q415 L416 L417 K421 Q422 L423 I518 F521 E522Q415-K419 WeakPolarHBondContact O-CB 3.49Å; Q415-K419 PolarHBondContact O-N 2.83Å; L416-K419 WeakPolarHBondContact O-CB 3.28Å; L416-K419 PolarHBondContact O-N 2.92Å; L417-K419 VanDerWaalsContact C-N 3.26Å; L417-K419 PolarHBondContact O-N 3.15Å; K419-K421 VanDerWaalsContact C-N 3.35Å; K419-K421 PolarHBondContact O-N 2.79Å; K419-Q422 WeakPolarHBondContact O-CB 3.29Å; K419-Q422 PolarHBondContact O-N 2.78Å; K419-L423 HydrophobicContact CG-CD1 4.4Å; K419-L423 WeakPolarHBondContact O-CG 3.5Å; K419-L423 PolarHBondContact O-N 2.89Å; K419-I518 HydrophobicContact CB-CG2 4.09Å; K419-I518 HydrophobicContact CD-CG2 3.85Å; K419-I518 HydrophobicContact CG-CG2 3.79Å; K419-F521 HydrophobicContact CG-CD1 4.45Å; K419-E522 VanDerWaalsContact CE-OE1 3.29Å; K419-E522 WeakPolarHBondContact CE-OE1 3.29Å; K419-E522 WeakPolarHBondContact CE-OE2 3.41Å; K419-E522 IonicContact NZ-OE1 2.95Å; K419-E522 PolarHBondContact NZ-OE1 2.84Å; K419-E522 IonicContact NZ-OE2 2.68Å; K419-E522 PolarHBondContact NZ-OE2 2.88Å
420L98.1Very high97.4Very high0 Ų049.6 Ų49.60%024%0.24CC..Hα-helixtrans-59.5-44.1173.2-65.8175.4000111.9I387 I389 L416 L417 L423 G424 F425 I452 F521 F525I387-L420 HydrophobicContact CB-CD1 4.5Å; I387-L420 HydrophobicContact CD1-CD2 4.38Å; I387-L420 HydrophobicContact CG2-CD1 3.81Å; I389-L420 HydrophobicContact CD1-CD1 3.99Å; I389-L420 HydrophobicContact CG1-CD1 4.4Å; L416-L420 WeakPolarHBondContact O-CG 3.4Å; L416-L420 PolarHBondContact O-N 3.17Å; L417-L420 WeakPolarHBondContact O-CB 3.47Å; L417-L420 PolarHBondContact O-N 2.97Å; L417-L420 VanDerWaalsContact O-N 3.13Å; L420-L423 PolarHBondContact O-N 3.06Å; L420-G424 PolarHBondContact O-N 2.66Å; L420-F425 HydrophobicContact CB-CB 4.43Å; L420-F425 WeakPolarHBondContact O-CB 3.27Å; L420-F425 PolarHBondContact O-N 3.24Å; L420-I452 HydrophobicContact CD1-CD1 4.5Å; L420-F521 HydrophobicContact CD1-CZ 4.15Å; L420-F521 HydrophobicContact CD2-CE1 3.89Å; L420-F521 HydrophobicContact CD2-CZ 3.9Å; L420-F521 HydrophobicContact CG-CE1 3.89Å; L420-F521 HydrophobicContact CG-CZ 3.93Å; L420-F525 HydrophobicContact CD2-CD1 3.75Å; L420-F525 HydrophobicContact CD2-CD2 3.58Å; L420-F525 HydrophobicContact CD2-CE1 3.63Å; L420-F525 HydrophobicContact CD2-CE2 3.47Å; L420-F525 VanDerWaalsContact CD2-CE2 3.47Å; L420-F525 HydrophobicContact CD2-CG 3.73Å; L420-F525 HydrophobicContact CD2-CZ 3.49Å; L420-F525 VanDerWaalsContact CD2-CZ 3.49Å
421K97.1Very high97.4Very high48 Ų4850.5 Ų50.521%0.20924%0.244CC..Hα-helixtrans-62.8-41.9176.5-61.8-59.2-176.4-168.30111.8L417 N418 K419 L423 G424 F425 Y426 S428L417-K421 WeakPolarHBondContact O-CG 3.38Å; L417-K421 PolarHBondContact O-N 2.81Å; N418-K421 PolarHBondContact O-N 3.15Å; K419-K421 VanDerWaalsContact C-N 3.35Å; K419-K421 PolarHBondContact O-N 2.79Å; K421-L423 VanDerWaalsContact C-N 3.27Å; K421-L423 PolarHBondContact O-N 3.33Å; K421-G424 PolarHBondContact O-N 3.14Å; K421-F425 WeakPolarHBondContact CD-O 3.28Å; K421-Y426 HydrophobicContact CD-CD1 4.17Å; K421-Y426 PolarHBondContact NZ-O 3.06Å; K421-S428 WeakPolarHBondContact CE-O 3.24Å; K421-S428 PolarHBondContact NZ-O 3.42Å
422Q96.4Very high97.5Very high146 Ų14647.6 Ų47.668%0.68223%0.229SC*.Hα-helixtrans-61.4-36.3176.8-174.7-175.82.300111.9N418 K419 G424N418-Q422 WeakPolarHBondContact O-CB 3.44Å; N418-Q422 PolarHBondContact O-N 2.88Å; K419-Q422 WeakPolarHBondContact O-CB 3.29Å; K419-Q422 PolarHBondContact O-N 2.78Å; Q422-G424 PolarHBondContact O-N 2.99Å
423L95.9Very high97.4Very high45 Ų4548.1 Ų48.124%0.23623%0.232CC..THydrogen-bonded Turntrans-75.1-1174.6-67.5172000113.7K419 L420 K421 F425 E522 F525 M526K419-L423 HydrophobicContact CG-CD1 4.4Å; K419-L423 WeakPolarHBondContact O-CG 3.5Å; K419-L423 PolarHBondContact O-N 2.89Å; L420-L423 PolarHBondContact O-N 3.06Å; K421-L423 VanDerWaalsContact C-N 3.27Å; K421-L423 PolarHBondContact O-N 3.33Å; L423-F425 HydrophobicContact CB-CD2 3.8Å; L423-F425 HydrophobicContact CB-CE2 3.93Å; L423-E522 HydrophobicContact CD1-CG 4.34Å; L423-F525 HydrophobicContact CD1-CD1 4.02Å; L423-F525 HydrophobicContact CD1-CE1 4.19Å; L423-M526 HydrophobicContact CD1-SD 4.26Å
424G95.5Very high97.1Very high8 Ų849.5 Ų49.58%0.08224%0.239CC..THydrogen-bonded Turntrans96.62.3176.600000115.3L420 K421 Q422 Y426L420-G424 PolarHBondContact O-N 2.66Å; K421-G424 PolarHBondContact O-N 3.14Å; Q422-G424 PolarHBondContact O-N 2.99Å; G424-Y426 VanDerWaalsContact C-N 3.31Å; G424-Y426 VanDerWaalsContact O-CD2 3.24Å; G424-Y426 WeakPolarHBondContact O-CD2 3.42Å; G424-Y426 PolarHBondContact O-N 2.84Å
425F96.5Very high97Very high3 Ų350 Ų501%0.01324%0.242CC..  trans-85.271179.4-60.1-86.8000111.4Y382 I385 I387 L420 K421 L423 N427 S428 F525 F529Y382-F425 HydrophobicContact CG-CE1 4.42Å; I385-F425 HydrophobicContact CB-CD1 4.32Å; I385-F425 HydrophobicContact CD1-CD1 4.39Å; I385-F425 HydrophobicContact CD1-CE1 3.98Å; I385-F425 HydrophobicContact CG2-CD1 4.43Å; I387-F425 HydrophobicContact CD1-CB 3.72Å; I387-F425 HydrophobicContact CD1-CD1 3.57Å; I387-F425 HydrophobicContact CD1-CE1 4.34Å; I387-F425 HydrophobicContact CD1-CG 3.69Å; L420-F425 HydrophobicContact CB-CB 4.43Å; L420-F425 WeakPolarHBondContact O-CB 3.27Å; L420-F425 PolarHBondContact O-N 3.24Å; K421-F425 WeakPolarHBondContact CD-O 3.28Å; L423-F425 HydrophobicContact CB-CD2 3.8Å; L423-F425 HydrophobicContact CB-CE2 3.93Å; F425-N427 PolarHBondContact O-N 3.29Å; F425-N427 VanDerWaalsContact O-N 3.17Å; F425-S428 WeakPolarHBondContact CB-OG 3.21Å; F425-S428 PolarHBondContact O-N 2.73Å; F425-S428 PolarHBondContact O-OG 3.23Å; F425-F525 HydrophobicContact CD1-CZ 4.22Å; F425-F525 AromaticContact CD2-CE1 3.7Å; F425-F525 HydrophobicContact CD2-CE1 3.7Å; F425-F525 AromaticContact CD2-CZ 3.77Å; F425-F525 HydrophobicContact CD2-CZ 3.77Å; F425-F525 HydrophobicContact CE1-CZ 4.08Å; F425-F525 AromaticContact CE2-CE1 3.37Å; F425-F525 HydrophobicContact CE2-CE1 3.37Å; F425-F525 AromaticContact CE2-CZ 3.66Å; F425-F525 HydrophobicContact CE2-CZ 3.66Å; F425-F525 HydrophobicContact CG-CE1 4.45Å; F425-F525 HydrophobicContact CG-CZ 4.06Å; F425-F525 AromaticContact CZ-CE1 3.83Å; F425-F525 HydrophobicContact CZ-CE1 3.83Å; F425-F525 AromaticContact CZ-CZ 3.8Å; F425-F525 HydrophobicContact CZ-CZ 3.8Å; F425-F529 AromaticContact CE1-CD2 3.68Å; F425-F529 HydrophobicContact CE1-CD2 3.68Å; F425-F529 AromaticContact CE1-CE2 3.59Å; F425-F529 HydrophobicContact CE1-CE2 3.59Å; F425-F529 HydrophobicContact CE1-CG 4.3Å; F425-F529 HydrophobicContact CE1-CZ 4.12Å; F425-F529 HydrophobicContact CZ-CD1 4.06Å; F425-F529 AromaticContact CZ-CD2 3.72Å; F425-F529 HydrophobicContact CZ-CD2 3.72Å; F425-F529 HydrophobicContact CZ-CE1 4.08Å; F425-F529 AromaticContact CZ-CE2 3.77Å; F425-F529 HydrophobicContact CZ-CE2 3.77Å; F425-F529 AromaticContact CZ-CG 3.87Å; F425-F529 HydrophobicContact CZ-CG 3.87Å; F425-F529 AromaticContact CZ-CZ 3.94Å; F425-F529 HydrophobicContact CZ-CZ 3.94Å
426Y95.2Very high96.8Very high142 Ų14247.8 Ų47.856%0.55723%0.233SC*.THydrogen-bonded Turntrans-69.7-8.5-176.3-63.5-75.8000114.9K383 K421 G424K383-Y426 HydrophobicContact CG-CD2 4.2Å; K421-Y426 HydrophobicContact CD-CD1 4.17Å; K421-Y426 PolarHBondContact NZ-O 3.06Å; G424-Y426 VanDerWaalsContact C-N 3.31Å; G424-Y426 VanDerWaalsContact O-CD2 3.24Å; G424-Y426 WeakPolarHBondContact O-CD2 3.42Å; G424-Y426 PolarHBondContact O-N 2.84Å
427N96.4Very high96.7Very high40 Ų4050.2 Ų50.221%0.21425%0.25CS..THydrogen-bonded Turntrans-101.229.4173.8-165.740.8000112.9K383 I385 Q386 I387 F425 F429K383-N427 WeakPolarHBondContact O-CB 3.23Å; I385-N427 WeakPolarHBondContact O-CB 3.32Å; Q386-N427 WeakPolarHBondContact CA-ND2 3.5Å; Q386-N427 WeakPolarHBondContact CA-O 3.43Å; Q386-N427 WeakPolarHBondContact CB-ND2 3.03Å; I387-N427 PolarHBondContact N-O 3.08Å; F425-N427 PolarHBondContact O-N 3.29Å; F425-N427 VanDerWaalsContact O-N 3.17Å; N427-F429 VanDerWaalsContact O-CE2 3.3Å; N427-F429 WeakPolarHBondContact O-CE2 3.19Å; N427-F429 WeakPolarHBondContact OD1-CE2 3.08Å; N427-F429 WeakPolarHBondContact OD1-CZ 3.44Å
428S97.7Very high96.6Very high0 Ų049.2 Ų49.20%025%0.245CC..EExtended strand (participates in β ladder)trans-89.7142.7169-49.30000113.3I387 L417 K421 F425I387-S428 CarbonylContact O-C 3.46Å; I387-S428 WeakPolarHBondContact O-CA 3.27Å; L417-S428 WeakPolarHBondContact CD1-O 3.43Å; K421-S428 WeakPolarHBondContact CE-O 3.24Å; K421-S428 PolarHBondContact NZ-O 3.42Å; F425-S428 WeakPolarHBondContact CB-OG 3.21Å; F425-S428 PolarHBondContact O-N 2.73Å; F425-S428 PolarHBondContact O-OG 3.23Å
429F97.4Very high96.4Very high86 Ų8646.9 Ų46.938%0.37723%0.232SC..EExtended strand (participates in β ladder)trans-142.6153.9176.3-46.8-86.1000112.1I387 I389 N427 I431I387-F429 PolarHBondContact O-N 2.9Å; I389-F429 PolarHBondContact N-O 2.85Å; N427-F429 VanDerWaalsContact O-CE2 3.3Å; N427-F429 WeakPolarHBondContact O-CE2 3.19Å; N427-F429 WeakPolarHBondContact OD1-CE2 3.08Å; N427-F429 WeakPolarHBondContact OD1-CZ 3.44Å; F429-I431 HydrophobicContact CB-CD1 4.14Å; F429-I431 HydrophobicContact CB-CG1 4.29Å
430I98.4Very high96.3Very high52 Ų5250.1 Ų50.127%0.26725%0.248SC..EExtended strand (participates in β ladder)trans-92129.2164.5-62.7159000107I389 E413 L417I389-I430 HydrophobicContact CB-CG1 4.29Å; I389-I430 CarbonylContact O-C 3.4Å; I389-I430 WeakPolarHBondContact O-CA 3.45Å; E413-I430 HydrophobicContact CB-CD1 3.71Å; E413-I430 HydrophobicContact CB-CG1 4.28Å; L417-I430 HydrophobicContact CB-CD1 3.9Å; L417-I430 HydrophobicContact CB-CG1 4.14Å; L417-I430 HydrophobicContact CD2-CD1 3.81Å; L417-I430 HydrophobicContact CD2-CG1 4.07Å; L417-I430 HydrophobicContact CG-CD1 4.46Å
431I98Very high96.3Very high28 Ų2851 Ų5114%0.14425%0.252CS..EExtended strand (participates in β ladder)trans-126.5123-175.2-61.3-69.6000109.3I388 I389 I390 S391 F429 L433 L436 L444I388-I431 HydrophobicContact CD1-CG1 4.41Å; I388-I431 HydrophobicContact CG1-CG1 4.43Å; I388-I431 HydrophobicContact CG2-CB 3.89Å; I388-I431 HydrophobicContact CG2-CG1 3.77Å; I389-I431 PolarHBondContact O-N 2.96Å; I390-I431 CarbonylContact C-O 3.45Å; I390-I431 WeakPolarHBondContact CA-O 3.47Å; S391-I431 PolarHBondContact N-O 3.47Å; F429-I431 HydrophobicContact CB-CD1 4.14Å; F429-I431 HydrophobicContact CB-CG1 4.29Å; I431-L433 HydrophobicContact CG2-CD2 4.09Å; I431-L433 HydrophobicContact CG2-CG 4.44Å; I431-L436 HydrophobicContact CG2-CD1 3.84Å; I431-L444 HydrophobicContact CB-CD2 4.36Å; I431-L444 HydrophobicContact CD1-CD2 3.89Å; I431-L444 HydrophobicContact CG1-CD2 3.88Å; I431-L444 HydrophobicContact CG2-CD2 3.72Å
432D96.7Very high96.3Very high25 Ų2548.7 Ų48.713%0.13424%0.242CC..EExtended strand (participates in β ladder)trans-98105.8166.4-177.411.7000108.8N393 I434 N435N393-D432 VanDerWaalsContact CB-OD2 3.26Å; N393-D432 WeakPolarHBondContact CB-OD2 3.27Å; N393-D432 PolarHBondContact ND2-OD2 3.37Å; D432-I434 PolarHBondContact O-N 3.43Å; D432-I434 VanDerWaalsContact OD1-CG2 3.3Å; D432-I434 WeakPolarHBondContact OD1-CG2 3.39Å; D432-N435 WeakPolarHBondContact CB-ND2 2.96Å; D432-N435 PolarHBondContact O-N 2.99Å; D432-N435 PolarHBondContact OD2-ND2 2.79Å
433L96.2Very high96.2Very high17 Ų1746.6 Ų46.69%0.08923%0.231CC..G310 helixtrans-61.7-27.6-170.4-70.4166.7000112.9I390 I431 N435 L436 Q441 Y461I390-L433 HydrophobicContact CD1-CD1 4.03Å; I390-L433 HydrophobicContact CG2-CD1 3.9Å; I390-L433 HydrophobicContact CG2-CG 4.33Å; I431-L433 HydrophobicContact CG2-CD2 4.09Å; I431-L433 HydrophobicContact CG2-CG 4.44Å; L433-N435 PolarHBondContact O-N 2.97Å; L433-L436 PolarHBondContact O-N 2.68Å; L433-L436 VanDerWaalsContact O-N 3.14Å; L433-Q441 HydrophobicContact CB-CG 4.48Å; L433-Q441 HydrophobicContact CD2-CB 4.27Å; L433-Q441 HydrophobicContact CD2-CG 3.87Å; L433-Q441 PolarHBondContact O-NE2 3.34Å; L433-Y461 HydrophobicContact CD1-CD2 3.72Å; L433-Y461 HydrophobicContact CD1-CE2 3.72Å; L433-Y461 HydrophobicContact CD2-CD2 4.24Å; L433-Y461 HydrophobicContact CD2-CE2 3.99Å; L433-Y461 HydrophobicContact CG-CE2 4.41Å
434I93.1Very high96.2Very high57 Ų5746 Ų4629%0.29223%0.228SC..G310 helixtrans-65.3-23.4-178.7-163.761.5000112.9N197 Y395 D432 L436N197-I434 WeakPolarHBondContact ND2-CD1 3.12Å; Y395-I434 HydrophobicContact CD1-CG1 4.39Å; Y395-I434 HydrophobicContact CD2-CD1 3.59Å; Y395-I434 HydrophobicContact CD2-CG1 3.88Å; Y395-I434 HydrophobicContact CE2-CD1 3.97Å; Y395-I434 HydrophobicContact CG-CB 4.36Å; Y395-I434 HydrophobicContact CG-CD1 4.01Å; Y395-I434 HydrophobicContact CG-CG1 3.77Å; D432-I434 PolarHBondContact O-N 3.43Å; D432-I434 VanDerWaalsContact OD1-CG2 3.3Å; D432-I434 WeakPolarHBondContact OD1-CG2 3.39Å; I434-L436 PolarHBondContact O-N 2.76Å
435N94.7Very high96.2Very high120 Ų12045.6 Ų45.664%0.64222%0.224SC*.G310 helixtrans-85.12.2-180-60-38.8000112.7D432 L433D432-N435 WeakPolarHBondContact CB-ND2 2.96Å; D432-N435 PolarHBondContact O-N 2.99Å; D432-N435 PolarHBondContact OD2-ND2 2.79Å; L433-N435 PolarHBondContact O-N 2.97Å
436L95.8Very high96.2Very high47 Ų4746 Ų4625%0.24623%0.226CC..SBendtrans-117.9141-179-60.5-179.9000109.7I431 L433 I434 E440 Q441 L444I431-L436 HydrophobicContact CG2-CD1 3.84Å; L433-L436 PolarHBondContact O-N 2.68Å; L433-L436 VanDerWaalsContact O-N 3.14Å; I434-L436 PolarHBondContact O-N 2.76Å; L436-E440 HydrophobicContact CB-CB 4.03Å; L436-E440 HydrophobicContact CD2-CB 4.37Å; L436-Q441 HydrophobicContact CB-CG 3.62Å; L436-Q441 HydrophobicContact CD1-CG 4.3Å; L436-Q441 PolarHBondContact O-NE2 3.24Å; L436-L444 HydrophobicContact CD1-CD2 3.78Å
437S95.8Very high96.1Very high50 Ų5042.7 Ų42.735%0.3522%0.218SC..  trans-60.9157.716564.20000110.9N439 E440 Q441S437-N439 PolarHBondContact O-N 2.61Å; S437-E440 WeakPolarHBondContact CB-OE2 3.42Å; S437-E440 PolarHBondContact N-OE2 3.34Å; S437-E440 WeakPolarHBondContact O-CB 3.42Å; S437-E440 PolarHBondContact O-N 3.31Å; S437-E440 VanDerWaalsContact OG-CD 3.26Å; S437-E440 VanDerWaalsContact OG-CG 3.25Å; S437-E440 WeakPolarHBondContact OG-CG 3.44Å; S437-E440 PolarHBondContact OG-N 2.94Å; S437-E440 PolarHBondContact OG-OE2 2.87Å; S437-Q441 WeakPolarHBondContact O-CG 3.17Å; S437-Q441 PolarHBondContact O-N 3.11Å
438I95.9Very high96Very high6 Ų640.8 Ų40.83%0.03121%0.208CC..Hα-helixtrans-58.8-37.2178.7-58.1-61.4000111.7L198 I201 Y292 E440 Q441 F442L198-I438 HydrophobicContact CD2-CD1 4.14Å; I201-I438 HydrophobicContact CD1-CD1 4.23Å; I201-I438 HydrophobicContact CD1-CG1 4.5Å; I201-I438 HydrophobicContact CD1-CG2 4.29Å; I201-I438 HydrophobicContact CG1-CD1 4.4Å; I201-I438 HydrophobicContact CG1-CG1 4.13Å; I201-I438 HydrophobicContact CG1-CG2 3.91Å; Y292-I438 HydrophobicContact CE1-CB 4.11Å; Y292-I438 HydrophobicContact CE1-CG2 3.92Å; Y292-I438 HydrophobicContact CE2-CG2 4.26Å; Y292-I438 VanDerWaalsContact OH-CG2 3.26Å; Y292-I438 WeakPolarHBondContact OH-CG2 3.13Å; I438-E440 PolarHBondContact O-N 2.94Å; I438-Q441 PolarHBondContact O-N 3.31Å; I438-F442 HydrophobicContact CG2-CD1 3.78Å; I438-F442 HydrophobicContact CG2-CE1 3.46Å; I438-F442 VanDerWaalsContact CG2-CE1 3.46Å; I438-F442 HydrophobicContact CG2-CZ 3.96Å; I438-F442 WeakPolarHBondContact O-CD1 3.25Å; I438-F442 PolarHBondContact O-N 3.1Å
439N95.6Very high96Very high38 Ų3841.4 Ų41.420%0.20321%0.211CC..Hα-helixtrans-61.1-43.1176.1-171.8-83.6000112Y292 S437 F442 K443Y292-N439 HydrophobicContact CD1-CB 3.93Å; Y292-N439 HydrophobicContact CE1-CB 4.37Å; Y292-N439 PolarHBondContact O-ND2 3.08Å; S437-N439 PolarHBondContact O-N 2.61Å; N439-F442 PolarHBondContact O-N 3.06Å; N439-K443 WeakPolarHBondContact O-CB 3.35Å; N439-K443 WeakPolarHBondContact O-CG 3.36Å; N439-K443 PolarHBondContact O-N 3.08Å; N439-K443 WeakPolarHBondContact OD1-CD 3.44Å; N439-K443 WeakPolarHBondContact OD1-CE 3.12Å; N439-K443 PolarHBondContact OD1-NZ 3.29Å
440E96.7Very high96Very high95 Ų9537.3 Ų37.344%0.44419%0.193SC..Hα-helixtrans-66.2-42.3176-72.7164.9137.600111.6L436 S437 I438 F442 K443 L444L436-E440 HydrophobicContact CB-CB 4.03Å; L436-E440 HydrophobicContact CD2-CB 4.37Å; S437-E440 WeakPolarHBondContact CB-OE2 3.42Å; S437-E440 PolarHBondContact N-OE2 3.34Å; S437-E440 WeakPolarHBondContact O-CB 3.42Å; S437-E440 PolarHBondContact O-N 3.31Å; S437-E440 VanDerWaalsContact OG-CD 3.26Å; S437-E440 VanDerWaalsContact OG-CG 3.25Å; S437-E440 WeakPolarHBondContact OG-CG 3.44Å; S437-E440 PolarHBondContact OG-N 2.94Å; S437-E440 PolarHBondContact OG-OE2 2.87Å; I438-E440 PolarHBondContact O-N 2.94Å; E440-F442 PolarHBondContact O-N 2.85Å; E440-K443 PolarHBondContact O-N 3.49Å; E440-L444 WeakPolarHBondContact O-CB 3.36Å; E440-L444 PolarHBondContact O-N 2.68Å
441Q97.3Very high96Very high17 Ų1734.8 Ų34.88%0.07918%0.18CC..Hα-helixtrans-57.4-48.4174.3-65178.348.700110.6L433 L436 S437 I438 L444 I445 Y461L433-Q441 HydrophobicContact CB-CG 4.48Å; L433-Q441 HydrophobicContact CD2-CB 4.27Å; L433-Q441 HydrophobicContact CD2-CG 3.87Å; L433-Q441 PolarHBondContact O-NE2 3.34Å; L436-Q441 HydrophobicContact CB-CG 3.62Å; L436-Q441 HydrophobicContact CD1-CG 4.3Å; L436-Q441 PolarHBondContact O-NE2 3.24Å; S437-Q441 WeakPolarHBondContact O-CG 3.17Å; S437-Q441 PolarHBondContact O-N 3.11Å; I438-Q441 PolarHBondContact O-N 3.31Å; Q441-L444 PolarHBondContact O-N 2.85Å; Q441-I445 WeakPolarHBondContact O-CB 3.33Å; Q441-I445 WeakPolarHBondContact O-CG1 3.13Å; Q441-I445 PolarHBondContact O-N 2.89Å; Q441-Y461 HydrophobicContact CB-CE1 4.5Å; Q441-Y461 HydrophobicContact CB-CE2 4.3Å; Q441-Y461 WeakPolarHBondContact CB-OH 3.34Å; Q441-Y461 VanDerWaalsContact OE1-CZ 3.25Å; Q441-Y461 PolarHBondContact OE1-OH 2.87Å
442F96.5Very high96Very high0 Ų033.5 Ų33.50%017%0.173CC..Hα-helixtrans-62.6-48.9179.1-78.527.1000111.6L288 L289 Y292 L294 I438 N439 E440 L444 I445 I446 Y461 L464L288-F442 HydrophobicContact CB-CE2 3.97Å; L289-F442 HydrophobicContact CD2-CD2 4.27Å; Y292-F442 AromaticContact CD2-CD2 3.77Å; Y292-F442 HydrophobicContact CD2-CD2 3.77Å; Y292-F442 AromaticContact CD2-CE2 3.52Å; Y292-F442 HydrophobicContact CD2-CE2 3.52Å; Y292-F442 HydrophobicContact CD2-CZ 4.38Å; Y292-F442 HydrophobicContact CE2-CD2 4.24Å; Y292-F442 AromaticContact CE2-CE2 3.66Å; Y292-F442 HydrophobicContact CE2-CE2 3.66Å; Y292-F442 HydrophobicContact CE2-CZ 4.07Å; Y292-F442 HydrophobicContact CG-CD2 4.11Å; Y292-F442 HydrophobicContact CG-CE2 4.31Å; L294-F442 HydrophobicContact CD1-CB 3.46Å; L294-F442 VanDerWaalsContact CD1-CB 3.46Å; L294-F442 HydrophobicContact CD1-CD2 4.37Å; L294-F442 HydrophobicContact CD1-CG 4.45Å; I438-F442 HydrophobicContact CG2-CD1 3.78Å; I438-F442 HydrophobicContact CG2-CE1 3.46Å; I438-F442 VanDerWaalsContact CG2-CE1 3.46Å; I438-F442 HydrophobicContact CG2-CZ 3.96Å; I438-F442 WeakPolarHBondContact O-CD1 3.25Å; I438-F442 PolarHBondContact O-N 3.1Å; N439-F442 PolarHBondContact O-N 3.06Å; E440-F442 PolarHBondContact O-N 2.85Å; F442-L444 PolarHBondContact O-N 2.88Å; F442-I445 PolarHBondContact O-N 2.9Å; F442-I446 WeakPolarHBondContact O-CG1 3.38Å; F442-I446 WeakPolarHBondContact O-CG2 3.49Å; F442-I446 PolarHBondContact O-N 3Å; F442-Y461 AromaticContact CD1-CE1 3.69Å; F442-Y461 HydrophobicContact CD1-CE1 3.69Å; F442-Y461 AromaticContact CE1-CE1 3.64Å; F442-Y461 HydrophobicContact CE1-CE1 3.64Å; F442-L464 HydrophobicContact CB-CD1 4.4Å; F442-L464 HydrophobicContact CD1-CD1 3.59Å; F442-L464 HydrophobicContact CD2-CD1 3.95Å; F442-L464 HydrophobicContact CE1-CD1 3.73Å; F442-L464 HydrophobicContact CE2-CD1 4.07Å; F442-L464 HydrophobicContact CG-CD1 3.7Å; F442-L464 HydrophobicContact CZ-CD1 3.96Å
443K95Very high96.1Very high102 Ų10232.3 Ų32.344%0.44317%0.167SC..Hα-helixtrans-55.4-40.4177.4-81.7173173.1158.90112.6L294 N439 E440 I446 N447L294-K443 HydrophobicContact CD1-CG 4.02Å; L294-K443 HydrophobicContact CD2-CD 4.18Å; L294-K443 HydrophobicContact CD2-CG 3.49Å; L294-K443 VanDerWaalsContact CD2-CG 3.49Å; L294-K443 HydrophobicContact CG-CG 4.43Å; N439-K443 WeakPolarHBondContact O-CB 3.35Å; N439-K443 WeakPolarHBondContact O-CG 3.36Å; N439-K443 PolarHBondContact O-N 3.08Å; N439-K443 WeakPolarHBondContact OD1-CD 3.44Å; N439-K443 WeakPolarHBondContact OD1-CE 3.12Å; N439-K443 PolarHBondContact OD1-NZ 3.29Å; E440-K443 PolarHBondContact O-N 3.49Å; K443-I446 WeakPolarHBondContact O-CG1 3.39Å; K443-N447 PolarHBondContact O-ND2 3.5Å
444L95.5Very high96.2Very high33 Ų3331.7 Ų31.717%0.17316%0.164CC..Hα-helixtrans-68.7-48.8179.2-179.465.8000110.8Q386 I388 I431 L436 E440 Q441 F442 N447 T448Q386-L444 PolarHBondContact NE2-O 3.06Å; I388-L444 HydrophobicContact CD1-CD1 3.6Å; I388-L444 HydrophobicContact CD1-CD2 3.77Å; I388-L444 HydrophobicContact CD1-CG 3.36Å; I431-L444 HydrophobicContact CB-CD2 4.36Å; I431-L444 HydrophobicContact CD1-CD2 3.89Å; I431-L444 HydrophobicContact CG1-CD2 3.88Å; I431-L444 HydrophobicContact CG2-CD2 3.72Å; L436-L444 HydrophobicContact CD1-CD2 3.78Å; E440-L444 WeakPolarHBondContact O-CB 3.36Å; E440-L444 PolarHBondContact O-N 2.68Å; Q441-L444 PolarHBondContact O-N 2.85Å; F442-L444 PolarHBondContact O-N 2.88Å; L444-N447 PolarHBondContact O-N 3.32Å; L444-T448 PolarHBondContact O-N 3.13Å; L444-T448 PolarHBondContact O-OG1 3.09Å
445I96.5Very high96.4Very high0 Ų029.5 Ų29.50%015%0.152CC..Hα-helixtrans-66.4-41.2-176.1-66.6-64.3000112.5Q441 F442 N447 T448 L451 Y461 L464 L465Q441-I445 WeakPolarHBondContact O-CB 3.33Å; Q441-I445 WeakPolarHBondContact O-CG1 3.13Å; Q441-I445 PolarHBondContact O-N 2.89Å; F442-I445 PolarHBondContact O-N 2.9Å; I445-N447 PolarHBondContact O-N 3.37Å; I445-T448 WeakPolarHBondContact O-CB 3.44Å; I445-T448 PolarHBondContact O-N 2.68Å; I445-T448 PolarHBondContact O-OG1 2.68Å; I445-L451 HydrophobicContact CD1-CD1 3.99Å; I445-L451 HydrophobicContact CD1-CD2 4.47Å; I445-Y461 HydrophobicContact CB-CD1 4.46Å; I445-Y461 HydrophobicContact CD1-CD2 4.45Å; I445-Y461 HydrophobicContact CD1-CG 4.15Å; I445-Y461 HydrophobicContact CG1-CD1 3.98Å; I445-Y461 HydrophobicContact CG1-CD2 4.25Å; I445-Y461 HydrophobicContact CG1-CG 3.76Å; I445-Y461 HydrophobicContact CG2-CD1 4.35Å; I445-Y461 HydrophobicContact CG2-CG 4.42Å; I445-Y461 VanDerWaalsContact CG2-O 3.3Å; I445-Y461 WeakPolarHBondContact CG2-O 3.44Å; I445-L464 HydrophobicContact CG2-CB 3.72Å; I445-L465 HydrophobicContact CG2-CD2 3.97Å; I445-L465 HydrophobicContact CG2-CG 4.42Å
446I95.2Very high96.4Very high12 Ų1224 Ų246%0.06212%0.123CC..THydrogen-bonded Turntrans-64.1-14.8179.465176000113.9L289 L294 F442 K443 L464 P466L289-I446 HydrophobicContact CD1-CG2 4.03Å; L289-I446 HydrophobicContact CD2-CG2 3.46Å; L289-I446 VanDerWaalsContact CD2-CG2 3.46Å; L289-I446 HydrophobicContact CG-CG2 4.39Å; L294-I446 HydrophobicContact CB-CD1 4.36Å; F442-I446 WeakPolarHBondContact O-CG1 3.38Å; F442-I446 WeakPolarHBondContact O-CG2 3.49Å; F442-I446 PolarHBondContact O-N 3Å; K443-I446 WeakPolarHBondContact O-CG1 3.39Å; I446-L464 HydrophobicContact CG2-CB 4.48Å; I446-P466 WeakPolarHBondContact O-CD 3.45Å; I446-P466 WeakPolarHBondContact O-CG 3.34Å
447N92.9Very high96.4Very high72 Ų7222.9 Ų22.939%0.38512%0.121SC..THydrogen-bonded Turntrans-102.3-0.3176.1-69.9-63.8000113K443 L444 I445K443-N447 PolarHBondContact O-ND2 3.5Å; L444-N447 PolarHBondContact O-N 3.32Å; I445-N447 PolarHBondContact O-N 3.37Å
448T95.9Very high96.5Very high0 Ų021 Ų210%011%0.11CC..  trans-81.7124.8-172.7-620000111.4Q386 I388 L444 I445 I450 L451 L465 P466 S469Q386-T448 PolarHBondContact NE2-OG1 3.41Å; I388-T448 HydrophobicContact CB-CG2 4.13Å; I388-T448 HydrophobicContact CD1-CG2 4.13Å; I388-T448 WeakPolarHBondContact CD1-OG1 3.3Å; I388-T448 HydrophobicContact CG1-CG2 4.01Å; L444-T448 PolarHBondContact O-N 3.13Å; L444-T448 PolarHBondContact O-OG1 3.09Å; I445-T448 WeakPolarHBondContact O-CB 3.44Å; I445-T448 PolarHBondContact O-N 2.68Å; I445-T448 PolarHBondContact O-OG1 2.68Å; T448-I450 WeakPolarHBondContact CG2-O 3.48Å; T448-L451 HydrophobicContact CG2-CB 4.13Å; T448-L451 HydrophobicContact CG2-CD1 4.29Å; T448-L465 HydrophobicContact CG2-CD2 4.06Å; T448-P466 WeakPolarHBondContact O-CD 3.44Å; T448-S469 WeakPolarHBondContact O-CB 3.32Å; T448-S469 PolarHBondContact O-OG 2.96Å
449N96Very high96.6Very high12 Ų1220.8 Ų20.86%0.06411%0.109CC..SBendtrans-86-41.2179.4-61.7126.7000112.3I385 Q386 S469 S470 W532I385-N449 WeakPolarHBondContact CA-OD1 3.3Å; I385-N449 HydrophobicContact CG2-CB 3.82Å; Q386-N449 PolarHBondContact N-OD1 3.43Å; Q386-N449 WeakPolarHBondContact O-CB 3.25Å; Q386-N449 PolarHBondContact O-N 3.15Å; N449-S469 CarbonylContact O-C 3.49Å; N449-S469 WeakPolarHBondContact O-CA 3.42Å; N449-S469 VanDerWaalsContact O-CB 3.26Å; N449-S469 WeakPolarHBondContact O-CB 3.47Å; N449-S470 PolarHBondContact O-N 2.79Å; N449-W532 HydrophobicContact CB-CZ2 3.57Å; N449-W532 PolarHBondContact O-NE1 3.4Å
450I98Very high96.7Very high0 Ų019 Ų190%010%0.099CC..EExtended strand (participates in β ladder)trans-131.9118.5174.4-55.4176000108Q386 I387 I388 T448 I452 S470 I472 F525 T528 F529 W532Q386-I450 PolarHBondContact O-N 2.8Å; I387-I450 WeakPolarHBondContact CA-O 3.21Å; I387-I450 HydrophobicContact CG1-CB 4.22Å; I387-I450 HydrophobicContact CG2-CB 4.29Å; I388-I450 PolarHBondContact N-O 2.8Å; T448-I450 WeakPolarHBondContact CG2-O 3.48Å; I450-I452 HydrophobicContact CG2-CD1 4.38Å; I450-I452 HydrophobicContact CG2-CG1 4Å; I450-S470 WeakPolarHBondContact CA-O 3.34Å; I450-I472 HydrophobicContact CG2-CD1 4.01Å; I450-I472 HydrophobicContact CG2-CG1 4.08Å; I450-F525 HydrophobicContact CD1-CE2 3.84Å; I450-F525 HydrophobicContact CD1-CZ 4.45Å; I450-T528 HydrophobicContact CD1-CG2 4.46Å; I450-T528 HydrophobicContact CG2-CG2 4.14Å; I450-F529 HydrophobicContact CD1-CB 4.29Å; I450-F529 HydrophobicContact CD1-CD2 4.5Å; I450-W532 HydrophobicContact CG1-CG 4.38Å
451L98.6Very high96.8Very high0 Ų014.5 Ų14.50%08%0.078CC..EExtended strand (participates in β ladder)trans-98.5132.2174.3-172.663.4000108.9I388 I390 I445 T448 L459 L465 S470 L471 I472I388-L451 HydrophobicContact CB-CD1 3.89Å; I388-L451 HydrophobicContact CG2-CD1 3.88Å; I390-L451 HydrophobicContact CD1-CD1 3.92Å; I390-L451 HydrophobicContact CD1-CD2 4.33Å; I390-L451 HydrophobicContact CD1-CG 4.33Å; I390-L451 HydrophobicContact CG1-CD1 3.87Å; I445-L451 HydrophobicContact CD1-CD1 3.99Å; I445-L451 HydrophobicContact CD1-CD2 4.47Å; T448-L451 HydrophobicContact CG2-CB 4.13Å; T448-L451 HydrophobicContact CG2-CD1 4.29Å; L451-L459 HydrophobicContact CD2-CD2 4.39Å; L451-L459 HydrophobicContact CG-CD2 4.49Å; L451-L465 HydrophobicContact CB-CD1 4.02Å; L451-L465 HydrophobicContact CB-CD2 4.13Å; L451-L465 HydrophobicContact CD2-CD1 4.21Å; L451-L465 HydrophobicContact CD2-CD2 4.32Å; L451-S470 PolarHBondContact N-O 3.03Å; L451-L471 HydrophobicContact CB-CD1 4.32Å; L451-L471 HydrophobicContact CD2-CD1 4.39Å; L451-L471 HydrophobicContact CG-CD1 4.37Å; L451-L471 CarbonylContact O-C 3.52Å; L451-L471 WeakPolarHBondContact O-CA 3.46Å; L451-I472 PolarHBondContact O-N 2.86Å
452I98.8Very high96.8Very high0 Ų013.7 Ų13.70%07%0.074CC..EExtended strand (participates in β ladder)trans-128.6136.5-177.5-49.1-178.5000107.6I387 I388 I389 I390 L420 I450 I472 L474 F521 F525I387-I452 HydrophobicContact CG2-CD1 3.68Å; I387-I452 HydrophobicContact CG2-CG1 4.21Å; I388-I452 WeakPolarHBondContact O-CA 3.48Å; I388-I452 WeakPolarHBondContact O-CB 3.22Å; I388-I452 PolarHBondContact O-N 3.46Å; I389-I452 CarbonylContact C-O 3.52Å; I389-I452 WeakPolarHBondContact CA-O 3.4Å; I389-I452 HydrophobicContact CG1-CB 4.19Å; I389-I452 HydrophobicContact CG1-CD1 4.29Å; I390-I452 PolarHBondContact N-O 2.87Å; L420-I452 HydrophobicContact CD1-CD1 4.5Å; I450-I452 HydrophobicContact CG2-CD1 4.38Å; I450-I452 HydrophobicContact CG2-CG1 4Å; I452-I472 WeakPolarHBondContact CA-O 3.42Å; I452-I472 HydrophobicContact CB-CB 4.39Å; I452-I472 HydrophobicContact CD1-CD1 4.07Å; I452-I472 HydrophobicContact CG1-CB 4.08Å; I452-I472 HydrophobicContact CG1-CD1 4.1Å; I452-I472 HydrophobicContact CG1-CG1 4.3Å; I452-I472 HydrophobicContact CG2-CB 4.16Å; I452-I472 HydrophobicContact CG2-CG2 4.3Å; I452-L474 HydrophobicContact CG2-CD1 4.02Å; I452-L474 HydrophobicContact CG2-CG 4.33Å; I452-F521 HydrophobicContact CD1-CE2 4.04Å; I452-F521 HydrophobicContact CD1-CZ 4.08Å; I452-F521 HydrophobicContact CG2-CE2 4.3Å; I452-F525 HydrophobicContact CD1-CD2 4.3Å
453G98.3Very high96.8Very high0 Ų013.8 Ų13.80%08%0.075CC..EExtended strand (participates in β ladder)trans-177.3163173.100000113.7I472 L474G453-I472 PolarHBondContact N-O 3.47Å; G453-I472 VanDerWaalsContact N-O 3.15Å; G453-L474 PolarHBondContact O-N 2.79Å
454M97.6Very high96.9Very high5 Ų58.9 Ų8.93%0.0255%0.054CC..EExtended strand (participates in β ladder)trans-66.2145171.4-69.7-70.4-76.400111R408 I410 G456 L474 P476R408-M454 HydrophobicContact CB-CB 4.43Å; R408-M454 HydrophobicContact CB-CE 4.12Å; R408-M454 WeakPolarHBondContact O-CB 3.45Å; R408-M454 WeakPolarHBondContact O-CG 3.1Å; I410-M454 HydrophobicContact CD1-CG 3.97Å; I410-M454 HydrophobicContact CG1-CG 3.43Å; I410-M454 VanDerWaalsContact CG1-CG 3.43Å; I410-M454 HydrophobicContact CG1-SD 3.9Å; M454-G456 PolarHBondContact O-N 2.8Å; M454-G456 VanDerWaalsContact O-N 3.08Å; M454-L474 CarbonylContact C-O 3.6Å; M454-L474 VanDerWaalsContact CA-O 3.24Å; M454-L474 WeakPolarHBondContact CA-O 3.41Å; M454-L474 HydrophobicContact CG-CB 4.45Å; M454-L474 HydrophobicContact SD-CB 3.59Å; M454-L474 VanDerWaalsContact SD-CB 3.59Å; M454-P476 HydrophobicContact CE-CB 3.89Å; M454-P476 HydrophobicContact CE-CG 3.97Å
455H97.6Very high96.9Very high10 Ų107.3 Ų7.35%0.0465%0.046CC..SBendtrans-47.2117.8172.8177.376.2000110.8R408 E473 L474 F475 C480 N483 F486R408-H455 WeakPolarHBondContact CD-O 3.29Å; R408-H455 PolarHBondContact NE-O 2.84Å; H455-E473 HydrophobicContact CB-CG 4.44Å; H455-E473 WeakPolarHBondContact CB-OE1 3.37Å; H455-E473 IonicContact CE1-OE1 3.25Å; H455-E473 IonicContact CG-OE1 3.74Å; H455-E473 IonicContact ND1-OE1 2.84Å; H455-E473 PolarHBondContact ND1-OE1 2.76Å; H455-L474 PolarHBondContact N-O 3.35Å; H455-F475 HydrophobicContact CB-CD1 3.67Å; H455-F475 HydrophobicContact CB-CE1 3.64Å; H455-F475 HydrophobicContact CB-CG 4.4Å; H455-F475 HydrophobicContact CB-CZ 4.33Å; H455-F475 AromaticContact CG-CE1 3.59Å; H455-F475 AromaticContact ND1-CE1 3.53Å; H455-C480 WeakPolarHBondContact CD2-CB 3.25Å; H455-N483 WeakPolarHBondContact CE1-CB 3.48Å; H455-N483 PolarHBondContact NE2-ND2 2.87Å; H455-F486 AromaticContact CE1-CE2 3.69Å; H455-F486 AromaticContact ND1-CD2 3.8Å; H455-F486 AromaticContact ND1-CE2 3.65Å
456G95.9Very high96.7Very high4 Ų47.3 Ų7.34%0.0415%0.046CC..SBendtrans162173177.100000113.2M454 G458 L459 F486M454-G456 PolarHBondContact O-N 2.8Å; M454-G456 VanDerWaalsContact O-N 3.08Å; G456-G458 PolarHBondContact O-N 3.23Å; G456-L459 PolarHBondContact O-N 2.94Å; G456-F486 VanDerWaalsContact C-CZ 3.44Å; G456-F486 WeakPolarHBondContact O-CE2 3.41Å; G456-F486 WeakPolarHBondContact O-CZ 3.31Å
457A95.8Very high96.5Very high24 Ų249.4 Ų9.420%0.1986%0.057CC..G310 helixtrans-50.2-26.5-16800000116.7N160 L161 L459 T460N160-A457 WeakPolarHBondContact OD1-CB 3.45Å; L161-A457 HydrophobicContact CB-CB 4.19Å; A457-L459 PolarHBondContact O-N 3.04Å; A457-T460 WeakPolarHBondContact O-CB 3.28Å; A457-T460 PolarHBondContact O-N 3.22Å; A457-T460 VanDerWaalsContact O-N 3.14Å; A457-T460 PolarHBondContact O-OG1 3.16Å
458G96.6Very high96.3Very high11 Ų116 Ų611%0.1134%0.039CC..G310 helixtrans-62.3-27.6175.400000113.4I390 G456 T460 Y461I390-G458 WeakPolarHBondContact CD1-O 3.37Å; G456-G458 PolarHBondContact O-N 3.23Å; G458-T460 PolarHBondContact O-N 3.05Å; G458-Y461 WeakPolarHBondContact O-CD2 3.46Å; G458-Y461 PolarHBondContact O-N 2.79Å
459L98.2Very high96.3Very high2 Ų26 Ų61%0.014%0.039CC..G310 helixtrans-73.7-6.1176.8-63.8-174.3000113.5I390 L451 G456 A457 Y461 T462 L471 E473 F486I390-L459 HydrophobicContact CD1-CD2 4Å; L451-L459 HydrophobicContact CD2-CD2 4.39Å; L451-L459 HydrophobicContact CG-CD2 4.49Å; G456-L459 PolarHBondContact O-N 2.94Å; A457-L459 PolarHBondContact O-N 3.04Å; L459-Y461 PolarHBondContact O-N 3.14Å; L459-Y461 VanDerWaalsContact O-N 3.12Å; L459-T462 VanDerWaalsContact O-CB 3.25Å; L459-T462 WeakPolarHBondContact O-CB 3.44Å; L459-T462 PolarHBondContact O-N 2.9Å; L459-T462 PolarHBondContact O-OG1 2.78Å; L459-L471 HydrophobicContact CD1-CD1 4.39Å; L459-L471 HydrophobicContact CD2-CD1 3.78Å; L459-E473 HydrophobicContact CD1-CB 4.18Å; L459-E473 HydrophobicContact CD1-CG 3.64Å; L459-F486 VanDerWaalsContact C-CD1 3.43Å; L459-F486 HydrophobicContact CB-CB 4.22Å; L459-F486 HydrophobicContact CB-CD1 3.59Å; L459-F486 HydrophobicContact CB-CD2 3.64Å; L459-F486 HydrophobicContact CB-CE1 3.81Å; L459-F486 HydrophobicContact CB-CE2 3.86Å; L459-F486 HydrophobicContact CB-CG 3.51Å; L459-F486 HydrophobicContact CB-CZ 3.95Å; L459-F486 HydrophobicContact CD1-CD2 3.83Å; L459-F486 HydrophobicContact CD1-CE2 4.3Å; L459-F486 HydrophobicContact CD1-CG 4.28Å; L459-F486 HydrophobicContact CG-CD2 4.33Å; L459-F486 WeakPolarHBondContact O-CD1 3.36Å
460T98.1Very high96.4Very high0 Ų05.5 Ų5.50%04%0.036CC..G310 helixtrans-56-27.5169.6-60.60000111.8L161 Y162 M165 A457 G458 T462 L463 F486 F489L161-T460 HydrophobicContact CG-CG2 4.17Å; Y162-T460 VanDerWaalsContact CA-OG1 3.22Å; Y162-T460 WeakPolarHBondContact CA-OG1 3.25Å; Y162-T460 WeakPolarHBondContact CB-OG1 3.37Å; Y162-T460 PolarHBondContact N-OG1 2.68Å; M165-T460 HydrophobicContact CB-CG2 3.59Å; M165-T460 HydrophobicContact CE-CG2 4.16Å; M165-T460 HydrophobicContact CG-CG2 3.84Å; A457-T460 WeakPolarHBondContact O-CB 3.28Å; A457-T460 PolarHBondContact O-N 3.22Å; A457-T460 VanDerWaalsContact O-N 3.14Å; A457-T460 PolarHBondContact O-OG1 3.16Å; G458-T460 PolarHBondContact O-N 3.05Å; T460-T462 PolarHBondContact O-N 2.81Å; T460-L463 HydrophobicContact CG2-CD1 4.18Å; T460-L463 WeakPolarHBondContact O-CB 3.36Å; T460-L463 WeakPolarHBondContact O-CG 3.34Å; T460-L463 PolarHBondContact O-N 2.99Å; T460-F486 VanDerWaalsContact N-CE1 3.32Å; T460-F489 HydrophobicContact CG2-CE2 4.01Å
461Y97.8Very high96.4Very high0 Ų05.5 Ų5.50%04%0.036CC..G310 helixtrans-59.8-11173.9-80.9-52.9000115.3L161 L433 Q441 F442 I445 G458 L459 L463 L464 L465L161-Y461 HydrophobicContact CD2-CD2 3.81Å; L161-Y461 HydrophobicContact CD2-CE1 4.37Å; L161-Y461 HydrophobicContact CD2-CE2 3.44Å; L161-Y461 VanDerWaalsContact CD2-CE2 3.44Å; L161-Y461 HydrophobicContact CD2-CG 4.43Å; L433-Y461 HydrophobicContact CD1-CD2 3.72Å; L433-Y461 HydrophobicContact CD1-CE2 3.72Å; L433-Y461 HydrophobicContact CD2-CD2 4.24Å; L433-Y461 HydrophobicContact CD2-CE2 3.99Å; L433-Y461 HydrophobicContact CG-CE2 4.41Å; Q441-Y461 HydrophobicContact CB-CE1 4.5Å; Q441-Y461 HydrophobicContact CB-CE2 4.3Å; Q441-Y461 WeakPolarHBondContact CB-OH 3.34Å; Q441-Y461 VanDerWaalsContact OE1-CZ 3.25Å; Q441-Y461 PolarHBondContact OE1-OH 2.87Å; F442-Y461 AromaticContact CD1-CE1 3.69Å; F442-Y461 HydrophobicContact CD1-CE1 3.69Å; F442-Y461 AromaticContact CE1-CE1 3.64Å; F442-Y461 HydrophobicContact CE1-CE1 3.64Å; I445-Y461 HydrophobicContact CB-CD1 4.46Å; I445-Y461 HydrophobicContact CD1-CD2 4.45Å; I445-Y461 HydrophobicContact CD1-CG 4.15Å; I445-Y461 HydrophobicContact CG1-CD1 3.98Å; I445-Y461 HydrophobicContact CG1-CD2 4.25Å; I445-Y461 HydrophobicContact CG1-CG 3.76Å; I445-Y461 HydrophobicContact CG2-CD1 4.35Å; I445-Y461 HydrophobicContact CG2-CG 4.42Å; I445-Y461 VanDerWaalsContact CG2-O 3.3Å; I445-Y461 WeakPolarHBondContact CG2-O 3.44Å; G458-Y461 WeakPolarHBondContact O-CD2 3.46Å; G458-Y461 PolarHBondContact O-N 2.79Å; L459-Y461 PolarHBondContact O-N 3.14Å; L459-Y461 VanDerWaalsContact O-N 3.12Å; Y461-L463 PolarHBondContact O-N 2.85Å; Y461-L463 VanDerWaalsContact O-N 3.11Å; Y461-L464 HydrophobicContact CD1-CD1 3.85Å; Y461-L464 HydrophobicContact CD1-CG 4.47Å; Y461-L464 HydrophobicContact CE1-CD1 4.04Å; Y461-L464 PolarHBondContact O-N 2.76Å; Y461-L465 PolarHBondContact O-N 3Å
462T97.9Very high96.4Very high0 Ų05.5 Ų5.50%04%0.036CC..G310 helixtrans-50.4-31.5165.7-580000112.3L459 T460 L464 L465 L471 F489 T490 R493 L495L459-T462 VanDerWaalsContact O-CB 3.25Å; L459-T462 WeakPolarHBondContact O-CB 3.44Å; L459-T462 PolarHBondContact O-N 2.9Å; L459-T462 PolarHBondContact O-OG1 2.78Å; T460-T462 PolarHBondContact O-N 2.81Å; T462-L464 PolarHBondContact O-N 2.77Å; T462-L465 HydrophobicContact CG2-CD1 4.31Å; T462-L465 PolarHBondContact O-N 3.49Å; T462-L471 HydrophobicContact CG2-CD2 4.24Å; T462-F489 HydrophobicContact CG2-CB 3.96Å; T462-T490 HydrophobicContact CG2-CG2 3.68Å; T462-R493 PolarHBondContact O-NH1 3.01Å; T462-L495 HydrophobicContact CG2-CD1 3.84Å
463L96.5Very high96.4Very high2 Ų25.5 Ų5.51%0.014%0.036CC..G310 helixtrans-63.2-20.6175.6-68.1171.5000114.5M165 L257 I281 T460 Y461 F489 R493M165-L463 HydrophobicContact CG-CD1 3.55Å; L257-L463 HydrophobicContact CD1-CD1 4.13Å; I281-L463 HydrophobicContact CD1-CD2 3.59Å; I281-L463 HydrophobicContact CG1-CD2 4.07Å; T460-L463 HydrophobicContact CG2-CD1 4.18Å; T460-L463 WeakPolarHBondContact O-CB 3.36Å; T460-L463 WeakPolarHBondContact O-CG 3.34Å; T460-L463 PolarHBondContact O-N 2.99Å; Y461-L463 PolarHBondContact O-N 2.85Å; Y461-L463 VanDerWaalsContact O-N 3.11Å; L463-F489 HydrophobicContact CD1-CD2 4.01Å; L463-F489 HydrophobicContact CD1-CE1 4.4Å; L463-F489 HydrophobicContact CD1-CE2 3.75Å; L463-F489 HydrophobicContact CD1-CG 4.46Å; L463-F489 HydrophobicContact CD1-CZ 3.95Å; L463-F489 HydrophobicContact CD2-CB 4.12Å; L463-F489 HydrophobicContact CD2-CD1 4.03Å; L463-F489 HydrophobicContact CD2-CD2 4.13Å; L463-F489 HydrophobicContact CD2-CE1 4.48Å; L463-F489 HydrophobicContact CD2-CG 3.84Å; L463-F489 HydrophobicContact CG-CB 4.43Å; L463-F489 HydrophobicContact CG-CD1 4.44Å; L463-F489 HydrophobicContact CG-CD2 3.71Å; L463-F489 HydrophobicContact CG-CE2 4Å; L463-F489 HydrophobicContact CG-CG 3.96Å; L463-F489 HydrophobicContact CG-CZ 4.46Å; L463-R493 VanDerWaalsContact C-NH1 3.26Å; L463-R493 WeakPolarHBondContact O-CD 3.47Å; L463-R493 PolarHBondContact O-NE 2.75Å; L463-R493 PolarHBondContact O-NH1 2.77Å; L463-R493 VanDerWaalsContact O-NH1 3.08Å
464L96.7Very high96.4Very high0 Ų05.5 Ų5.50%04%0.036CC..G310 helixtrans-105.1-11.8-178.1-61.8-174.7000114.1K285 L288 L289 F442 I445 I446 Y461 T462K285-L464 VanDerWaalsContact CE-O 3.31Å; K285-L464 WeakPolarHBondContact CE-O 3.35Å; K285-L464 HydrophobicContact CG-CD2 4.01Å; L288-L464 HydrophobicContact CB-CD2 4.05Å; L288-L464 HydrophobicContact CD1-CD2 3.68Å; L289-L464 HydrophobicContact CD2-CD2 4.3Å; F442-L464 HydrophobicContact CB-CD1 4.4Å; F442-L464 HydrophobicContact CD1-CD1 3.59Å; F442-L464 HydrophobicContact CD2-CD1 3.95Å; F442-L464 HydrophobicContact CE1-CD1 3.73Å; F442-L464 HydrophobicContact CE2-CD1 4.07Å; F442-L464 HydrophobicContact CG-CD1 3.7Å; F442-L464 HydrophobicContact CZ-CD1 3.96Å; I445-L464 HydrophobicContact CG2-CB 3.72Å; I446-L464 HydrophobicContact CG2-CB 4.48Å; Y461-L464 HydrophobicContact CD1-CD1 3.85Å; Y461-L464 HydrophobicContact CD1-CG 4.47Å; Y461-L464 HydrophobicContact CE1-CD1 4.04Å; Y461-L464 PolarHBondContact O-N 2.76Å; T462-L464 PolarHBondContact O-N 2.77Å
465L96.1Very high96.4Very high0 Ų05.3 Ų5.30%04%0.035CC..SBendtrans-55.3152.4-179.2-68.2175.8000112.6K285 I445 T448 L451 Y461 T462 R493 L495K285-L465 PolarHBondContact NZ-O 3.1Å; I445-L465 HydrophobicContact CG2-CD2 3.97Å; I445-L465 HydrophobicContact CG2-CG 4.42Å; T448-L465 HydrophobicContact CG2-CD2 4.06Å; L451-L465 HydrophobicContact CB-CD1 4.02Å; L451-L465 HydrophobicContact CB-CD2 4.13Å; L451-L465 HydrophobicContact CD2-CD1 4.21Å; L451-L465 HydrophobicContact CD2-CD2 4.32Å; Y461-L465 PolarHBondContact O-N 3Å; T462-L465 HydrophobicContact CG2-CD1 4.31Å; T462-L465 PolarHBondContact O-N 3.49Å; L465-R493 VanDerWaalsContact N-NH1 3.15Å; L465-R493 PolarHBondContact O-NH1 3.22Å; L465-R493 PolarHBondContact O-NH2 3.27Å; L465-L495 HydrophobicContact CB-CD1 4.1Å; L465-L495 HydrophobicContact CD1-CD1 4.16Å
466P93Very high96.2Very high0 Ų04.8 Ų4.80%03%0.033CC..  trans-53.6149.5164.5-27.533.3000112.7Y298 I446 T448 T468 S469 L495Y298-P466 HydrophobicContact CD1-CB 4.22Å; Y298-P466 HydrophobicContact CD2-CB 4.05Å; Y298-P466 HydrophobicContact CD2-CG 4.11Å; Y298-P466 HydrophobicContact CE2-CB 4.48Å; Y298-P466 HydrophobicContact CG-CB 3.89Å; Y298-P466 HydrophobicContact CG-CG 4.37Å; I446-P466 WeakPolarHBondContact O-CD 3.45Å; I446-P466 WeakPolarHBondContact O-CG 3.34Å; T448-P466 WeakPolarHBondContact O-CD 3.44Å; P466-T468 PolarHBondContact O-N 3.39Å; P466-S469 WeakPolarHBondContact CB-OG 3.06Å; P466-S469 VanDerWaalsContact CD-OG 3.26Å; P466-S469 WeakPolarHBondContact CD-OG 3.05Å; P466-S469 VanDerWaalsContact O-CB 3.28Å; P466-S469 WeakPolarHBondContact O-CB 3.41Å; P466-S469 PolarHBondContact O-N 3.16Å; P466-S469 PolarHBondContact O-OG 3.04Å; P466-L495 VanDerWaalsContact O-CD2 3.22Å; P466-L495 WeakPolarHBondContact O-CD2 3.49Å
467N89.6Confident96.2Very high56 Ų567.5 Ų7.530%0.2995%0.046SC..THydrogen-bonded Turntrans-65.4-9-179.6-61.810.4000113.2E282 R493E282-N467 PolarHBondContact OE2-OD1 2.88Å; N467-R493 PolarHBondContact OD1-NH2 3.15Å
468T89.9Confident96Very high1 Ų19.1 Ų9.11%0.0065%0.047CC..THydrogen-bonded Turntrans-96.6-7.3175.155.10000113.6Y298 P466 W532 I536 E539Y298-T468 HydrophobicContact CE1-CG2 3.84Å; Y298-T468 WeakPolarHBondContact CE1-OG1 3.01Å; Y298-T468 PolarHBondContact OH-OG1 2.95Å; P466-T468 PolarHBondContact O-N 3.39Å; T468-W532 PolarHBondContact O-NE1 3.24Å; T468-I536 HydrophobicContact CG2-CG1 3.93Å; T468-E539 HydrophobicContact CG2-CB 3.79Å; T468-E539 HydrophobicContact CG2-CG 3.53Å
469S95.2Very high95.6Very high0 Ų010 Ų100%05%0.052CC..  trans-74.5171-171.6-63.60000113T448 N449 P466T448-S469 WeakPolarHBondContact O-CB 3.32Å; T448-S469 PolarHBondContact O-OG 2.96Å; N449-S469 CarbonylContact O-C 3.49Å; N449-S469 WeakPolarHBondContact O-CA 3.42Å; N449-S469 VanDerWaalsContact O-CB 3.26Å; N449-S469 WeakPolarHBondContact O-CB 3.47Å; P466-S469 WeakPolarHBondContact CB-OG 3.06Å; P466-S469 VanDerWaalsContact CD-OG 3.26Å; P466-S469 WeakPolarHBondContact CD-OG 3.05Å; P466-S469 VanDerWaalsContact O-CB 3.28Å; P466-S469 WeakPolarHBondContact O-CB 3.41Å; P466-S469 PolarHBondContact O-N 3.16Å; P466-S469 PolarHBondContact O-OG 3.04Å
470S97.6Very high95.2Very high0 Ų011.4 Ų11.40%06%0.061CC..EExtended strand (participates in β ladder)trans-129.9150.4175.4-580000111.7N449 I450 L451 N496N449-S470 PolarHBondContact O-N 2.79Å; I450-S470 WeakPolarHBondContact CA-O 3.34Å; L451-S470 PolarHBondContact N-O 3.03Å; S470-N496 CarbonylContact C-O 3.56Å; S470-N496 VanDerWaalsContact CA-O 3.26Å; S470-N496 WeakPolarHBondContact CA-O 3.32Å; S470-N496 WeakPolarHBondContact OG-CB 3.48Å; S470-N496 PolarHBondContact OG-ND2 2.83Å
471L98.6Very high94.9Very high0 Ų014.7 Ų14.70%08%0.077CC..EExtended strand (participates in β ladder)trans-109.1132.2171.4175.762.8000109.9L451 L459 T462 F486 T490 N496 Y497 N498L451-L471 HydrophobicContact CB-CD1 4.32Å; L451-L471 HydrophobicContact CD2-CD1 4.39Å; L451-L471 HydrophobicContact CG-CD1 4.37Å; L451-L471 CarbonylContact O-C 3.52Å; L451-L471 WeakPolarHBondContact O-CA 3.46Å; L459-L471 HydrophobicContact CD1-CD1 4.39Å; L459-L471 HydrophobicContact CD2-CD1 3.78Å; T462-L471 HydrophobicContact CG2-CD2 4.24Å; L471-F486 HydrophobicContact CD2-CB 3.8Å; L471-T490 HydrophobicContact CB-CG2 3.83Å; L471-T490 HydrophobicContact CD2-CG2 3.8Å; L471-T490 HydrophobicContact CG-CG2 4.44Å; L471-N496 PolarHBondContact N-O 3Å; L471-Y497 HydrophobicContact CB-CD2 4.41Å; L471-Y497 HydrophobicContact CD2-CD2 3.94Å; L471-Y497 HydrophobicContact CD2-CE2 4.11Å; L471-Y497 HydrophobicContact CG-CD2 4.22Å; L471-N498 PolarHBondContact O-N 2.95Å
472I98.7Very high94.5Very high0 Ų017.9 Ų17.90%011%0.11CC..EExtended strand (participates in β ladder)trans-111.5109.6163.8-54.4-177.7000108I450 L451 I452 G453 L474 N498 I524 F525 T528I450-I472 HydrophobicContact CG2-CD1 4.01Å; I450-I472 HydrophobicContact CG2-CG1 4.08Å; L451-I472 PolarHBondContact O-N 2.86Å; I452-I472 WeakPolarHBondContact CA-O 3.42Å; I452-I472 HydrophobicContact CB-CB 4.39Å; I452-I472 HydrophobicContact CD1-CD1 4.07Å; I452-I472 HydrophobicContact CG1-CB 4.08Å; I452-I472 HydrophobicContact CG1-CD1 4.1Å; I452-I472 HydrophobicContact CG1-CG1 4.3Å; I452-I472 HydrophobicContact CG2-CB 4.16Å; I452-I472 HydrophobicContact CG2-CG2 4.3Å; G453-I472 PolarHBondContact N-O 3.47Å; G453-I472 VanDerWaalsContact N-O 3.15Å; I472-L474 HydrophobicContact CG2-CD2 3.87Å; I472-N498 WeakPolarHBondContact CA-O 3.4Å; I472-I524 HydrophobicContact CG2-CD1 3.85Å; I472-I524 HydrophobicContact CG2-CG1 4.28Å; I472-I524 HydrophobicContact CG2-CG2 4.43Å; I472-F525 HydrophobicContact CD1-CB 4.4Å; I472-F525 HydrophobicContact CD1-CD2 4.13Å; I472-T528 HydrophobicContact CD1-CG2 3.95Å; I472-T528 WeakPolarHBondContact CD1-OG1 3.39Å; I472-T528 HydrophobicContact CG1-CG2 3.76Å; I472-T528 WeakPolarHBondContact CG1-OG1 3.46Å
473E98.4Very high94.2Very high0 Ų020.6 Ų20.60%012%0.124CC..EExtended strand (participates in β ladder)trans-97.2128178.3-174169.1-174.900110.9H455 L459 F475 F486 Y497 N498 A499 Y500H455-E473 HydrophobicContact CB-CG 4.44Å; H455-E473 WeakPolarHBondContact CB-OE1 3.37Å; H455-E473 IonicContact CE1-OE1 3.25Å; H455-E473 IonicContact CG-OE1 3.74Å; H455-E473 IonicContact ND1-OE1 2.84Å; H455-E473 PolarHBondContact ND1-OE1 2.76Å; L459-E473 HydrophobicContact CD1-CB 4.18Å; L459-E473 HydrophobicContact CD1-CG 3.64Å; E473-F475 HydrophobicContact CB-CE2 4.07Å; E473-F475 HydrophobicContact CG-CD2 4.13Å; E473-F475 HydrophobicContact CG-CE2 3.44Å; E473-F475 VanDerWaalsContact CG-CE2 3.44Å; E473-F475 HydrophobicContact CG-CZ 3.69Å; E473-F475 WeakPolarHBondContact OE1-CZ 3.04Å; E473-F486 VanDerWaalsContact OE1-CD2 3.31Å; E473-F486 WeakPolarHBondContact OE1-CD2 3.3Å; E473-Y497 HydrophobicContact CB-CE2 3.72Å; E473-Y497 WeakPolarHBondContact OE2-CE2 3.24Å; E473-Y497 PolarHBondContact OE2-OH 3.07Å; E473-Y497 VanDerWaalsContact OE2-OH 3.14Å; E473-N498 PolarHBondContact N-O 3.3Å; E473-A499 CarbonylContact O-C 3.54Å; E473-A499 VanDerWaalsContact O-CA 3.24Å; E473-A499 WeakPolarHBondContact O-CA 3.2Å; E473-Y500 PolarHBondContact O-N 3.49Å
474L98Very high94.1Very high1 Ų127.2 Ų27.21%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-107.2127.1-178.6-49.6176.6000109.5I410 I452 G453 M454 H455 I472 Y500 I516I410-L474 HydrophobicContact CD1-CD1 3.64Å; I410-L474 HydrophobicContact CG1-CD1 4.39Å; I452-L474 HydrophobicContact CG2-CD1 4.02Å; I452-L474 HydrophobicContact CG2-CG 4.33Å; G453-L474 PolarHBondContact O-N 2.79Å; M454-L474 CarbonylContact C-O 3.6Å; M454-L474 VanDerWaalsContact CA-O 3.24Å; M454-L474 WeakPolarHBondContact CA-O 3.41Å; M454-L474 HydrophobicContact CG-CB 4.45Å; M454-L474 HydrophobicContact SD-CB 3.59Å; M454-L474 VanDerWaalsContact SD-CB 3.59Å; H455-L474 PolarHBondContact N-O 3.35Å; I472-L474 HydrophobicContact CG2-CD2 3.87Å; L474-Y500 HydrophobicContact CD2-CD1 4.33Å; L474-Y500 HydrophobicContact CD2-CG 4.36Å; L474-I516 HydrophobicContact CD1-CD1 4.46Å; L474-I516 HydrophobicContact CD1-CG1 4.3Å
475F97.3Very high94Very high0 Ų028.7 Ų28.70%016%0.16CC..EExtended strand (participates in β ladder)trans-110.9133.5177.4-66.4-93.9000110.5H455 E473 C480 Q481 A499 Y500 Y501 G502H455-F475 HydrophobicContact CB-CD1 3.67Å; H455-F475 HydrophobicContact CB-CE1 3.64Å; H455-F475 HydrophobicContact CB-CG 4.4Å; H455-F475 HydrophobicContact CB-CZ 4.33Å; H455-F475 AromaticContact CG-CE1 3.59Å; H455-F475 AromaticContact ND1-CE1 3.53Å; E473-F475 HydrophobicContact CB-CE2 4.07Å; E473-F475 HydrophobicContact CG-CD2 4.13Å; E473-F475 HydrophobicContact CG-CE2 3.44Å; E473-F475 VanDerWaalsContact CG-CE2 3.44Å; E473-F475 HydrophobicContact CG-CZ 3.69Å; E473-F475 WeakPolarHBondContact OE1-CZ 3.04Å; F475-C480 HydrophobicContact CD1-CB 4.4Å; F475-C480 VanDerWaalsContact CD1-O 3.28Å; F475-C480 WeakPolarHBondContact CD1-O 3.42Å; F475-C480 WeakPolarHBondContact CE1-O 3.45Å; F475-Q481 HydrophobicContact CB-CG 4.14Å; F475-A499 HydrophobicContact CD2-CB 4.4Å; F475-A499 HydrophobicContact CE2-CB 4.08Å; F475-Y500 PolarHBondContact N-O 2.93Å; F475-Y501 HydrophobicContact CB-CD1 4.06Å; F475-Y501 AromaticContact CD2-CD1 3.96Å; F475-Y501 HydrophobicContact CD2-CD1 3.96Å; F475-Y501 AromaticContact CD2-CE1 3.71Å; F475-Y501 HydrophobicContact CD2-CE1 3.71Å; F475-Y501 HydrophobicContact CE2-CE1 4.02Å; F475-Y501 HydrophobicContact CG-CD1 4.11Å; F475-Y501 HydrophobicContact CG-CE1 4.09Å; F475-G502 WeakPolarHBondContact O-CA 3.37Å; F475-G502 PolarHBondContact O-N 2.99Å
476P95Very high94Very high0 Ų028.8 Ų28.80%016%0.16CC..  trans-67.3166.3164.232.6-32.9000109.7R408 M454 Y478 C479 Q481 S514R408-P476 HydrophobicContact CG-CG 4.22Å; M454-P476 HydrophobicContact CE-CB 3.89Å; M454-P476 HydrophobicContact CE-CG 3.97Å; P476-Y478 HydrophobicContact CB-CD1 3.78Å; P476-Y478 HydrophobicContact CB-CE1 3.42Å; P476-Y478 VanDerWaalsContact CB-CE1 3.42Å; P476-Y478 HydrophobicContact CB-CE2 4.26Å; P476-Y478 HydrophobicContact CB-CG 4.3Å; P476-Y478 HydrophobicContact CG-CD2 4.5Å; P476-Y478 HydrophobicContact CG-CE1 4.19Å; P476-Y478 HydrophobicContact CG-CE2 4.15Å; P476-C479 WeakPolarHBondContact CG-SG 3.4Å; P476-Q481 WeakPolarHBondContact O-CG 3.3Å; P476-Q481 PolarHBondContact O-NE2 2.91Å; P476-S514 VanDerWaalsContact CB-OG 3.23Å; P476-S514 WeakPolarHBondContact CB-OG 3.3Å
477N94.7Very high94.1Very high61 Ų6131 Ų3133%0.32617%0.171SC..SBendtrans-73.7-39.7170.3-169.5-102.7000112C479 G502 S504 D507N477-C479 VanDerWaalsContact C-N 3.27Å; N477-C479 PolarHBondContact O-N 2.94Å; N477-G502 WeakPolarHBondContact CB-O 3.37Å; N477-G502 PolarHBondContact ND2-O 3.16Å; N477-G502 VanDerWaalsContact ND2-O 3.08Å; N477-S504 WeakPolarHBondContact OD1-CB 3.39Å; N477-D507 VanDerWaalsContact CA-OD2 3.23Å; N477-D507 WeakPolarHBondContact CA-OD2 3.5Å; N477-D507 WeakPolarHBondContact CB-OD2 3.27Å; N477-D507 PolarHBondContact N-OD2 3.11Å
478Y91.7Very high94.3Very high57 Ų5728.7 Ų28.722%0.22416%0.159CC..SBendtrans-72.3-9.8-171.262.3-100.4000115.5R408 P476 D507 D512R408-Y478 WeakPolarHBondContact CA-OH 3.47Å; R408-Y478 HydrophobicContact CG-CE2 4.38Å; R408-Y478 PolarHBondContact N-OH 2.68Å; P476-Y478 HydrophobicContact CB-CD1 3.78Å; P476-Y478 HydrophobicContact CB-CE1 3.42Å; P476-Y478 VanDerWaalsContact CB-CE1 3.42Å; P476-Y478 HydrophobicContact CB-CE2 4.26Å; P476-Y478 HydrophobicContact CB-CG 4.3Å; P476-Y478 HydrophobicContact CG-CD2 4.5Å; P476-Y478 HydrophobicContact CG-CE1 4.19Å; P476-Y478 HydrophobicContact CG-CE2 4.15Å; Y478-D507 HydrophobicContact CD1-CB 3.79Å; Y478-D507 WeakPolarHBondContact CD1-OD2 3.47Å; Y478-D507 HydrophobicContact CE1-CB 4.21Å; Y478-D507 PolarHBondContact N-OD2 2.96Å; Y478-D507 VanDerWaalsContact N-OD2 3.1Å; Y478-D512 PolarHBondContact OH-O 3.09Å; Y478-D512 VanDerWaalsContact OH-O 3.06Å
479C88.6Confident94.6Very high31 Ų3128.6 Ų28.621%0.20916%0.158CC..SBendtrans-157158.3176.867.50000114.1R408 P476 N477 Q481R408-C479 VanDerWaalsContact CD-SG 3.51Å; P476-C479 WeakPolarHBondContact CG-SG 3.4Å; N477-C479 VanDerWaalsContact C-N 3.27Å; N477-C479 PolarHBondContact O-N 2.94Å; C479-Q481 VanDerWaalsContact C-N 3.28Å; C479-Q481 PolarHBondContact O-N 2.78Å; C479-Q481 VanDerWaalsContact O-N 3.1Å
480C90.4Very high94.5Very high31 Ų3128.8 Ų28.821%0.20916%0.159CC..  trans67.94.3158.4-50.70000117.8H455 F475 G482 N483H455-C480 WeakPolarHBondContact CD2-CB 3.25Å; F475-C480 HydrophobicContact CD1-CB 4.4Å; F475-C480 VanDerWaalsContact CD1-O 3.28Å; F475-C480 WeakPolarHBondContact CD1-O 3.42Å; F475-C480 WeakPolarHBondContact CE1-O 3.45Å; C480-G482 PolarHBondContact O-N 2.83Å; C480-N483 HydrophobicContact CB-CB 4.39Å; C480-N483 WeakPolarHBondContact CB-ND2 3.26Å; C480-N483 VanDerWaalsContact O-CB 3.23Å; C480-N483 WeakPolarHBondContact O-CB 3.44Å; C480-N483 PolarHBondContact O-N 3.37Å
481Q90.2Very high94.3Very high68 Ų6833.8 Ų33.832%0.31818%0.183SC..THydrogen-bonded Turntrans-58.8-24.7-176.6-61.1-162.5-25.300114.4F475 P476 C479 Y501 G502F475-Q481 HydrophobicContact CB-CG 4.14Å; P476-Q481 WeakPolarHBondContact O-CG 3.3Å; P476-Q481 PolarHBondContact O-NE2 2.91Å; C479-Q481 VanDerWaalsContact C-N 3.28Å; C479-Q481 PolarHBondContact O-N 2.78Å; C479-Q481 VanDerWaalsContact O-N 3.1Å; Q481-Y501 HydrophobicContact CB-CD1 4.02Å; Q481-Y501 HydrophobicContact CB-CE1 4.27Å; Q481-Y501 HydrophobicContact CG-CD1 4.16Å; Q481-Y501 WeakPolarHBondContact O-CE1 3.41Å; Q481-G502 PolarHBondContact NE2-O 2.98Å; Q481-G502 VanDerWaalsContact NE2-O 3.12Å
482G89.6Confident93.9Very high68 Ų6834.1 Ų34.170%0.70119%0.185SC*.THydrogen-bonded Turntrans-85.8-4.817500000114.9C480 K484C480-G482 PolarHBondContact O-N 2.83Å; G482-K484 PolarHBondContact O-N 2.74Å
483N92.3Very high93.5Very high57 Ų5734.3 Ų34.331%0.30519%0.185SC..  trans-74.7128.1-174.1-733.8000110.9H455 C480H455-N483 WeakPolarHBondContact CE1-CB 3.48Å; H455-N483 PolarHBondContact NE2-ND2 2.87Å; C480-N483 HydrophobicContact CB-CB 4.39Å; C480-N483 WeakPolarHBondContact CB-ND2 3.26Å; C480-N483 VanDerWaalsContact O-CB 3.23Å; C480-N483 WeakPolarHBondContact O-CB 3.44Å; C480-N483 PolarHBondContact O-N 3.37Å
484K94.3Very high93.2Very high141 Ų14140.3 Ų40.361%0.61321%0.213SC*.  trans-107.221.8-176.7-62.1-177.1-179.81800114.4V259 G482 F486 I487 K488V259-K484 VanDerWaalsContact CG2-C 3.46Å; V259-K484 HydrophobicContact CG2-CB 3.86Å; G482-K484 PolarHBondContact O-N 2.74Å; K484-F486 PolarHBondContact O-N 3.47Å; K484-I487 HydrophobicContact CB-CG2 3.68Å; K484-I487 HydrophobicContact CG-CG2 4.24Å; K484-I487 VanDerWaalsContact O-CG2 3.24Å; K484-I487 WeakPolarHBondContact O-CG2 3.31Å; K484-K488 WeakPolarHBondContact O-CB 3.08Å; K484-K488 PolarHBondContact O-N 2.91Å
485H94.9Very high93Very high30 Ų3041 Ų4114%0.13922%0.217CC..Hα-helixtrans-61-50.3-170.3-67.866000112.1Y162Y162-H485 AromaticContact CE1-CD2 3.63Å; Y162-H485 HydrophobicContact CE2-CB 4.04Å; Y162-H485 AromaticContact CE2-CD2 3.64Å; Y162-H485 AromaticContact CZ-CD2 3.33Å; Y162-H485 PolarHBondContact OH-CD2 3.05Å
486F96.6Very high92.9Very high3 Ų342.2 Ų42.21%0.01322%0.223CC..Hα-helixtrans-94.3-26.3-171.1-49.7-67.4000113.4Y162 H455 G456 L459 T460 L471 E473 K484 K488 F489 T490Y162-F486 HydrophobicContact CD2-CE1 4.09Å; H455-F486 AromaticContact CE1-CE2 3.69Å; H455-F486 AromaticContact ND1-CD2 3.8Å; H455-F486 AromaticContact ND1-CE2 3.65Å; G456-F486 VanDerWaalsContact C-CZ 3.44Å; G456-F486 WeakPolarHBondContact O-CE2 3.41Å; G456-F486 WeakPolarHBondContact O-CZ 3.31Å; L459-F486 VanDerWaalsContact C-CD1 3.43Å; L459-F486 HydrophobicContact CB-CB 4.22Å; L459-F486 HydrophobicContact CB-CD1 3.59Å; L459-F486 HydrophobicContact CB-CD2 3.64Å; L459-F486 HydrophobicContact CB-CE1 3.81Å; L459-F486 HydrophobicContact CB-CE2 3.86Å; L459-F486 HydrophobicContact CB-CG 3.51Å; L459-F486 HydrophobicContact CB-CZ 3.95Å; L459-F486 HydrophobicContact CD1-CD2 3.83Å; L459-F486 HydrophobicContact CD1-CE2 4.3Å; L459-F486 HydrophobicContact CD1-CG 4.28Å; L459-F486 HydrophobicContact CG-CD2 4.33Å; L459-F486 WeakPolarHBondContact O-CD1 3.36Å; T460-F486 VanDerWaalsContact N-CE1 3.32Å; L471-F486 HydrophobicContact CD2-CB 3.8Å; E473-F486 VanDerWaalsContact OE1-CD2 3.31Å; E473-F486 WeakPolarHBondContact OE1-CD2 3.3Å; K484-F486 PolarHBondContact O-N 3.47Å; F486-K488 PolarHBondContact O-N 3.36Å; F486-F489 AromaticContact CD1-CD2 3.95Å; F486-F489 HydrophobicContact CD1-CD2 3.95Å; F486-F489 HydrophobicContact CD1-CE2 4.12Å; F486-F489 HydrophobicContact CE1-CE2 4.36Å; F486-F489 WeakPolarHBondContact O-CB 3.46Å; F486-F489 PolarHBondContact O-N 3.1Å; F486-T490 PolarHBondContact O-N 3.46Å
487I95.2Very high93Very high45 Ų4544.1 Ų44.123%0.23123%0.231CC..Hα-helixtrans-56.1-41.2164.7-172.3174.4000110.7K484 F489 T490 E491 Y497K484-I487 HydrophobicContact CB-CG2 3.68Å; K484-I487 HydrophobicContact CG-CG2 4.24Å; K484-I487 VanDerWaalsContact O-CG2 3.24Å; K484-I487 WeakPolarHBondContact O-CG2 3.31Å; I487-F489 VanDerWaalsContact C-N 3.31Å; I487-F489 PolarHBondContact O-N 3.31Å; I487-T490 WeakPolarHBondContact CA-OG1 3.21Å; I487-T490 CarbonylContact O-C 3.59Å; I487-T490 WeakPolarHBondContact O-CA 3.5Å; I487-T490 PolarHBondContact O-N 2.84Å; I487-T490 PolarHBondContact O-OG1 3.14Å; I487-E491 HydrophobicContact CG1-CG 4.46Å; I487-E491 WeakPolarHBondContact O-CG 3.47Å; I487-E491 PolarHBondContact O-N 3.44Å; I487-Y497 HydrophobicContact CB-CD1 4.17Å; I487-Y497 HydrophobicContact CB-CD2 4.2Å; I487-Y497 HydrophobicContact CB-CE1 3.91Å; I487-Y497 HydrophobicContact CB-CE2 3.93Å; I487-Y497 HydrophobicContact CB-CG 4.3Å; I487-Y497 HydrophobicContact CD1-CD1 3.75Å; I487-Y497 HydrophobicContact CD1-CE1 3.68Å; I487-Y497 HydrophobicContact CG1-CD1 3.74Å; I487-Y497 HydrophobicContact CG1-CD2 4.43Å; I487-Y497 HydrophobicContact CG1-CE1 3.86Å; I487-Y497 HydrophobicContact CG1-CG 4.03Å
488K93Very high93.2Very high8 Ų843 Ų434%0.03523%0.225CC..Hα-helixtrans-57.8-41.8173.4172.4167.6-178.4167.90112.7P256 Y258 K261 I263 K484 F486 T490 E491 L492P256-K488 WeakPolarHBondContact O-CE 3.42Å; P256-K488 PolarHBondContact O-NZ 3.04Å; Y258-K488 PolarHBondContact O-NZ 3.2Å; K261-K488 PolarHBondContact O-NZ 3.25Å; I263-K488 HydrophobicContact CD1-CG 4.09Å; I263-K488 HydrophobicContact CG1-CG 4.42Å; K484-K488 WeakPolarHBondContact O-CB 3.08Å; K484-K488 PolarHBondContact O-N 2.91Å; F486-K488 PolarHBondContact O-N 3.36Å; K488-T490 VanDerWaalsContact C-N 3.31Å; K488-T490 PolarHBondContact O-N 2.95Å; K488-E491 PolarHBondContact O-N 3.2Å; K488-L492 HydrophobicContact CG-CD1 4.06Å; K488-L492 HydrophobicContact CG-CG 4.44Å; K488-L492 WeakPolarHBondContact O-CB 3.19Å; K488-L492 WeakPolarHBondContact O-CG 3.46Å; K488-L492 PolarHBondContact O-N 3.16Å
489F95.3Very high93.4Very high0 Ų041.6 Ų41.60%023%0.225CC..Hα-helixtrans-65.7-35.9175.7-67.2-7.5000112.2Y162 L257 T460 T462 L463 F486 I487 L492 R493Y162-F489 AromaticContact CD2-CE2 3.93Å; Y162-F489 HydrophobicContact CD2-CE2 3.93Å; Y162-F489 AromaticContact CD2-CZ 3.71Å; Y162-F489 HydrophobicContact CD2-CZ 3.71Å; Y162-F489 HydrophobicContact CE2-CE1 4.14Å; Y162-F489 HydrophobicContact CE2-CE2 4.05Å; Y162-F489 AromaticContact CE2-CZ 3.45Å; Y162-F489 HydrophobicContact CE2-CZ 3.45Å; Y162-F489 VanDerWaalsContact CE2-CZ 3.45Å; L257-F489 HydrophobicContact CB-CE1 3.99Å; L257-F489 HydrophobicContact CD2-CE1 4.28Å; T460-F489 HydrophobicContact CG2-CE2 4.01Å; T462-F489 HydrophobicContact CG2-CB 3.96Å; L463-F489 HydrophobicContact CD1-CD2 4.01Å; L463-F489 HydrophobicContact CD1-CE1 4.4Å; L463-F489 HydrophobicContact CD1-CE2 3.75Å; L463-F489 HydrophobicContact CD1-CG 4.46Å; L463-F489 HydrophobicContact CD1-CZ 3.95Å; L463-F489 HydrophobicContact CD2-CB 4.12Å; L463-F489 HydrophobicContact CD2-CD1 4.03Å; L463-F489 HydrophobicContact CD2-CD2 4.13Å; L463-F489 HydrophobicContact CD2-CE1 4.48Å; L463-F489 HydrophobicContact CD2-CG 3.84Å; L463-F489 HydrophobicContact CG-CB 4.43Å; L463-F489 HydrophobicContact CG-CD1 4.44Å; L463-F489 HydrophobicContact CG-CD2 3.71Å; L463-F489 HydrophobicContact CG-CE2 4Å; L463-F489 HydrophobicContact CG-CG 3.96Å; L463-F489 HydrophobicContact CG-CZ 4.46Å; F486-F489 AromaticContact CD1-CD2 3.95Å; F486-F489 HydrophobicContact CD1-CD2 3.95Å; F486-F489 HydrophobicContact CD1-CE2 4.12Å; F486-F489 HydrophobicContact CE1-CE2 4.36Å; F486-F489 WeakPolarHBondContact O-CB 3.46Å; F486-F489 PolarHBondContact O-N 3.1Å; I487-F489 VanDerWaalsContact C-N 3.31Å; I487-F489 PolarHBondContact O-N 3.31Å; F489-L492 HydrophobicContact CD1-CD1 4.49Å; F489-R493 WeakPolarHBondContact O-CB 3.01Å; F489-R493 WeakPolarHBondContact O-CG 3.27Å; F489-R493 PolarHBondContact O-N 3.26Å; F489-R493 VanDerWaalsContact O-N 3.14Å
490T94.4Very high93.9Very high3 Ų340.9 Ų40.92%0.01822%0.218CC..Hα-helixtrans-67.2-38.1173.3620000112.5T462 L471 F486 I487 K488 R493 H494 L495 Y497T462-T490 HydrophobicContact CG2-CG2 3.68Å; L471-T490 HydrophobicContact CB-CG2 3.83Å; L471-T490 HydrophobicContact CD2-CG2 3.8Å; L471-T490 HydrophobicContact CG-CG2 4.44Å; F486-T490 PolarHBondContact O-N 3.46Å; I487-T490 WeakPolarHBondContact CA-OG1 3.21Å; I487-T490 CarbonylContact O-C 3.59Å; I487-T490 WeakPolarHBondContact O-CA 3.5Å; I487-T490 PolarHBondContact O-N 2.84Å; I487-T490 PolarHBondContact O-OG1 3.14Å; K488-T490 VanDerWaalsContact C-N 3.31Å; K488-T490 PolarHBondContact O-N 2.95Å; T490-R493 CarbonylContact O-C 3.48Å; T490-R493 PolarHBondContact O-N 3.09Å; T490-H494 CarbonylContact O-C 3.55Å; T490-H494 WeakPolarHBondContact O-CA 3.44Å; T490-H494 PolarHBondContact O-N 2.91Å; T490-L495 HydrophobicContact CG2-CB 4.19Å; T490-L495 PolarHBondContact O-N 2.82Å; T490-Y497 HydrophobicContact CG2-CD2 4.02Å; T490-Y497 HydrophobicContact CG2-CG 4.48Å; T490-Y497 WeakPolarHBondContact OG1-CB 3.13Å
491E92.2Very high94.2Very high106 Ų10645 Ų4550%0.49523%0.229SC..Hα-helixtrans-65.1-49.9176.5-71.2172.4162.500111.2I263 I487 K488 R493 H494I263-E491 HydrophobicContact CD1-CB 4Å; I263-E491 VanDerWaalsContact CD1-OE2 3.23Å; I263-E491 WeakPolarHBondContact CD1-OE2 3.06Å; I487-E491 HydrophobicContact CG1-CG 4.46Å; I487-E491 WeakPolarHBondContact O-CG 3.47Å; I487-E491 PolarHBondContact O-N 3.44Å; K488-E491 PolarHBondContact O-N 3.2Å; E491-R493 PolarHBondContact O-N 2.75Å; E491-H494 PolarHBondContact O-N 3.21Å
492L90.3Very high94.4Very high7 Ų741.8 Ų41.84%0.03722%0.215CC..Hα-helixtrans-57.6-33.9177.4-73.2171000112.5L257 I263 I281 K488 F489L257-L492 HydrophobicContact CD2-CD1 3.66Å; I263-L492 HydrophobicContact CG1-CD2 4.47Å; I263-L492 HydrophobicContact CG2-CD2 3.96Å; I281-L492 HydrophobicContact CG1-CB 4.4Å; K488-L492 HydrophobicContact CG-CD1 4.06Å; K488-L492 HydrophobicContact CG-CG 4.44Å; K488-L492 WeakPolarHBondContact O-CB 3.19Å; K488-L492 WeakPolarHBondContact O-CG 3.46Å; K488-L492 PolarHBondContact O-N 3.16Å; F489-L492 HydrophobicContact CD1-CD1 4.49Å
493R92Very high94.6Very high3 Ų342.3 Ų42.31%0.01120%0.202CC..THydrogen-bonded Turntrans-100.94.5-177.1-66-153.459.2-130.4-11.3114.7I281 E282 T462 L463 L465 N467 F489 T490 E491 L495I281-R493 HydrophobicContact CG1-CG 3.81Å; I281-R493 HydrophobicContact CG2-CG 4.25Å; E282-R493 IonicContact OE1-CZ 2.81Å; E282-R493 IonicContact OE1-NE 3.73Å; E282-R493 PolarHBondContact OE1-NE 2.83Å; E282-R493 IonicContact OE1-NH2 3.48Å; E282-R493 PolarHBondContact OE1-NH2 2.98Å; E282-R493 IonicContact OE2-NH2 2.71Å; T462-R493 PolarHBondContact O-NH1 3.01Å; L463-R493 VanDerWaalsContact C-NH1 3.26Å; L463-R493 WeakPolarHBondContact O-CD 3.47Å; L463-R493 PolarHBondContact O-NE 2.75Å; L463-R493 PolarHBondContact O-NH1 2.77Å; L463-R493 VanDerWaalsContact O-NH1 3.08Å; L465-R493 VanDerWaalsContact N-NH1 3.15Å; L465-R493 PolarHBondContact O-NH1 3.22Å; L465-R493 PolarHBondContact O-NH2 3.27Å; N467-R493 PolarHBondContact OD1-NH2 3.15Å; F489-R493 WeakPolarHBondContact O-CB 3.01Å; F489-R493 WeakPolarHBondContact O-CG 3.27Å; F489-R493 PolarHBondContact O-N 3.26Å; F489-R493 VanDerWaalsContact O-N 3.14Å; T490-R493 CarbonylContact O-C 3.48Å; T490-R493 PolarHBondContact O-N 3.09Å; E491-R493 PolarHBondContact O-N 2.75Å; R493-L495 HydrophobicContact CB-CD1 4.06Å; R493-L495 HydrophobicContact CB-CG 3.89Å; R493-L495 PolarHBondContact O-N 2.85Å
494H91.2Very high94.7Very high127 Ų12743 Ų4359%0.58821%0.211SC*.THydrogen-bonded Turntrans54.536.9-178.5-55.9-80.8000113.5N278 T490 E491N278-H494 PolarHBondContact ND2-NE2 3.43Å; N278-H494 PolarHBondContact OD1-NE2 3.36Å; T490-H494 CarbonylContact O-C 3.55Å; T490-H494 WeakPolarHBondContact O-CA 3.44Å; T490-H494 PolarHBondContact O-N 2.91Å; E491-H494 PolarHBondContact O-N 3.21Å
495L93.6Very high94.7Very high16 Ų1644.5 Ų44.58%0.08421%0.214CC..  trans-91.4154.6178.3-59.8177.4000111.2T462 L465 P466 T490 R493T462-L495 HydrophobicContact CG2-CD1 3.84Å; L465-L495 HydrophobicContact CB-CD1 4.1Å; L465-L495 HydrophobicContact CD1-CD1 4.16Å; P466-L495 VanDerWaalsContact O-CD2 3.22Å; P466-L495 WeakPolarHBondContact O-CD2 3.49Å; T490-L495 HydrophobicContact CG2-CB 4.19Å; T490-L495 PolarHBondContact O-N 2.82Å; R493-L495 HydrophobicContact CB-CD1 4.06Å; R493-L495 HydrophobicContact CB-CG 3.89Å; R493-L495 PolarHBondContact O-N 2.85Å
496N95.2Very high94.8Very high25 Ų2544 Ų4413%0.13421%0.212CC..EExtended strand (participates in β ladder)trans-76.9136.2172.5175.261.2000110.8S470 L471 K531S470-N496 CarbonylContact C-O 3.56Å; S470-N496 VanDerWaalsContact CA-O 3.26Å; S470-N496 WeakPolarHBondContact CA-O 3.32Å; S470-N496 WeakPolarHBondContact OG-CB 3.48Å; S470-N496 PolarHBondContact OG-ND2 2.83Å; L471-N496 PolarHBondContact N-O 3Å; N496-K531 HydrophobicContact CB-CG 4.12Å; N496-K531 VanDerWaalsContact CG-CG 3.46Å; N496-K531 VanDerWaalsContact OD1-CG 3.31Å; N496-K531 WeakPolarHBondContact OD1-CG 3.41Å
497Y97.6Very high94.8Very high39 Ų3944.9 Ų44.915%0.15322%0.217CC..EExtended strand (participates in β ladder)trans-127.7133.1-176.6174.5-98.2000110.5L471 E473 I487 T490 A499L471-Y497 HydrophobicContact CB-CD2 4.41Å; L471-Y497 HydrophobicContact CD2-CD2 3.94Å; L471-Y497 HydrophobicContact CD2-CE2 4.11Å; L471-Y497 HydrophobicContact CG-CD2 4.22Å; E473-Y497 HydrophobicContact CB-CE2 3.72Å; E473-Y497 WeakPolarHBondContact OE2-CE2 3.24Å; E473-Y497 PolarHBondContact OE2-OH 3.07Å; E473-Y497 VanDerWaalsContact OE2-OH 3.14Å; I487-Y497 HydrophobicContact CB-CD1 4.17Å; I487-Y497 HydrophobicContact CB-CD2 4.2Å; I487-Y497 HydrophobicContact CB-CE1 3.91Å; I487-Y497 HydrophobicContact CB-CE2 3.93Å; I487-Y497 HydrophobicContact CB-CG 4.3Å; I487-Y497 HydrophobicContact CD1-CD1 3.75Å; I487-Y497 HydrophobicContact CD1-CE1 3.68Å; I487-Y497 HydrophobicContact CG1-CD1 3.74Å; I487-Y497 HydrophobicContact CG1-CD2 4.43Å; I487-Y497 HydrophobicContact CG1-CE1 3.86Å; I487-Y497 HydrophobicContact CG1-CG 4.03Å; T490-Y497 HydrophobicContact CG2-CD2 4.02Å; T490-Y497 HydrophobicContact CG2-CG 4.48Å; T490-Y497 WeakPolarHBondContact OG1-CB 3.13Å; Y497-A499 HydrophobicContact CE1-CB 3.89Å; Y497-A499 WeakPolarHBondContact OH-CB 3.45Å
498N97.7Very high94.7Very high39 Ų3945.5 Ų45.521%0.20922%0.221CC..EExtended strand (participates in β ladder)trans-134149.4166.8-74.4-57.3000109.6L471 I472 E473 I524 T528L471-N498 PolarHBondContact O-N 2.95Å; I472-N498 WeakPolarHBondContact CA-O 3.4Å; E473-N498 PolarHBondContact N-O 3.3Å; N498-I524 HydrophobicContact CB-CD1 4.01Å; N498-I524 HydrophobicContact CB-CG1 3.86Å; N498-T528 WeakPolarHBondContact ND2-CA 3.25Å; N498-T528 PolarHBondContact ND2-OG1 3.13Å
499A97.7Very high94.3Very high26 Ų2652.2 Ų52.222%0.21525%0.25CS..EExtended strand (participates in β ladder)trans-127.6138.6-179.900000111.8E473 F475 Y497 Y501 I524E473-A499 CarbonylContact O-C 3.54Å; E473-A499 VanDerWaalsContact O-CA 3.24Å; E473-A499 WeakPolarHBondContact O-CA 3.2Å; F475-A499 HydrophobicContact CD2-CB 4.4Å; F475-A499 HydrophobicContact CE2-CB 4.08Å; Y497-A499 HydrophobicContact CE1-CB 3.89Å; Y497-A499 WeakPolarHBondContact OH-CB 3.45Å; A499-Y501 HydrophobicContact CB-CD2 4.47Å; A499-Y501 HydrophobicContact CB-CE2 3.74Å; A499-I524 VanDerWaalsContact O-CD1 3.32Å; A499-I524 WeakPolarHBondContact O-CD1 3.3Å
500Y97.5Very high94Very high17 Ų1760.5 Ų60.57%0.06729%0.289CS..EExtended strand (participates in β ladder)trans-105.3127.6166.3171-101.6000109.3E473 L474 F475 I516 P517 E520E473-Y500 PolarHBondContact O-N 3.49Å; L474-Y500 HydrophobicContact CD2-CD1 4.33Å; L474-Y500 HydrophobicContact CD2-CG 4.36Å; F475-Y500 PolarHBondContact N-O 2.93Å; Y500-I516 HydrophobicContact CD1-CD1 3.82Å; Y500-I516 HydrophobicContact CD1-CG2 4.21Å; Y500-I516 HydrophobicContact CE1-CD1 3.59Å; Y500-I516 HydrophobicContact CE1-CG2 4.12Å; Y500-P517 VanDerWaalsContact OH-CD 3.26Å; Y500-P517 WeakPolarHBondContact OH-CD 3.4Å; Y500-E520 HydrophobicContact CD2-CB 4.28Å; Y500-E520 HydrophobicContact CE2-CB 3.81Å; Y500-E520 HydrophobicContact CE2-CG 4.18Å
501Y97.1Very high93.7Very high116 Ų11665.3 Ų65.346%0.45531%0.314SS..EExtended strand (participates in β ladder)trans-105110.7176.5-63.4-80.3000109.9F475 Q481 A499F475-Y501 HydrophobicContact CB-CD1 4.06Å; F475-Y501 AromaticContact CD2-CD1 3.96Å; F475-Y501 HydrophobicContact CD2-CD1 3.96Å; F475-Y501 AromaticContact CD2-CE1 3.71Å; F475-Y501 HydrophobicContact CD2-CE1 3.71Å; F475-Y501 HydrophobicContact CE2-CE1 4.02Å; F475-Y501 HydrophobicContact CG-CD1 4.11Å; F475-Y501 HydrophobicContact CG-CE1 4.09Å; Q481-Y501 HydrophobicContact CB-CD1 4.02Å; Q481-Y501 HydrophobicContact CB-CE1 4.27Å; Q481-Y501 HydrophobicContact CG-CD1 4.16Å; Q481-Y501 WeakPolarHBondContact O-CE1 3.41Å; A499-Y501 HydrophobicContact CB-CD2 4.47Å; A499-Y501 HydrophobicContact CB-CE2 3.74Å
502G94.5Very high93.7Very high2 Ų262.3 Ų62.32%0.02130%0.301CS..  trans-62.9151.4-179.600000113.4F475 N477 Q481F475-G502 WeakPolarHBondContact O-CA 3.37Å; F475-G502 PolarHBondContact O-N 2.99Å; N477-G502 WeakPolarHBondContact CB-O 3.37Å; N477-G502 PolarHBondContact ND2-O 3.16Å; N477-G502 VanDerWaalsContact ND2-O 3.08Å; Q481-G502 PolarHBondContact NE2-O 2.98Å; Q481-G502 VanDerWaalsContact NE2-O 3.12Å
503L94.7Very high94Very high79 Ų7962.6 Ų62.641%0.41430%0.304SS..  trans-102.6145.6175.9-62.5171.1000109.7Y505 N506L503-Y505 HydrophobicContact CB-CD1 3.89Å; L503-Y505 HydrophobicContact CB-CE1 3.51Å; L503-Y505 HydrophobicContact CD1-CE1 3.55Å; L503-Y505 WeakPolarHBondContact CD1-OH 3.5Å; L503-Y505 HydrophobicContact CG-CE1 4.11Å; L503-Y505 PolarHBondContact O-N 2.79Å; L503-Y505 VanDerWaalsContact O-N 3.12Å; L503-N506 WeakPolarHBondContact O-CB 3.46Å; L503-N506 PolarHBondContact O-N 2.82Å
504S94Very high94.2Very high72 Ų7262.5 Ų62.550%0.50330%0.303SS..G310 helixtrans-56.3-33.6-172.557.10000114.1N477 N506 D507N477-S504 WeakPolarHBondContact OD1-CB 3.39Å; S504-N506 PolarHBondContact O-N 3.06Å; S504-D507 PolarHBondContact O-N 2.99Å
505Y95.1Very high94.5Very high171 Ų17160.3 Ų60.367%0.67129%0.29SS*.G310 helixtrans-72.5-13.7179.163.9-101.7000113.9L503L503-Y505 HydrophobicContact CB-CD1 3.89Å; L503-Y505 HydrophobicContact CB-CE1 3.51Å; L503-Y505 HydrophobicContact CD1-CE1 3.55Å; L503-Y505 WeakPolarHBondContact CD1-OH 3.5Å; L503-Y505 HydrophobicContact CG-CE1 4.11Å; L503-Y505 PolarHBondContact O-N 2.79Å; L503-Y505 VanDerWaalsContact O-N 3.12Å
506N95.8Very high94.7Very high20 Ų2059.6 Ų59.611%0.10729%0.287CS..G310 helixtrans-90.6-9.5173.2-70.8-30.7000112.5L503 S504 Y515 P517L503-N506 WeakPolarHBondContact O-CB 3.46Å; L503-N506 PolarHBondContact O-N 2.82Å; S504-N506 PolarHBondContact O-N 3.06Å; N506-Y515 VanDerWaalsContact CB-O 3.3Å; N506-Y515 WeakPolarHBondContact CB-O 3.49Å; N506-Y515 WeakPolarHBondContact O-CB 3.47Å; N506-Y515 PolarHBondContact O-N 3.47Å; N506-P517 VanDerWaalsContact ND2-CG 3.35Å; N506-P517 WeakPolarHBondContact ND2-CG 3.45Å
507D95.8Very high94.8Very high22 Ų2259.6 Ų59.612%0.11829%0.288CS..EExtended strand (participates in β ladder)trans-92.8135.6-177.3-70.8-14.7000111.6N477 Y478 S504 S514N477-D507 VanDerWaalsContact CA-OD2 3.23Å; N477-D507 WeakPolarHBondContact CA-OD2 3.5Å; N477-D507 WeakPolarHBondContact CB-OD2 3.27Å; N477-D507 PolarHBondContact N-OD2 3.11Å; Y478-D507 HydrophobicContact CD1-CB 3.79Å; Y478-D507 WeakPolarHBondContact CD1-OD2 3.47Å; Y478-D507 HydrophobicContact CE1-CB 4.21Å; Y478-D507 PolarHBondContact N-OD2 2.96Å; Y478-D507 VanDerWaalsContact N-OD2 3.1Å; S504-D507 PolarHBondContact O-N 2.99Å; D507-S514 VanDerWaalsContact OD1-CB 3.25Å; D507-S514 WeakPolarHBondContact OD1-CB 3.29Å; D507-S514 PolarHBondContact OD1-OG 2.83Å
508N93.4Very high94.9Very high58 Ų5859.4 Ų59.431%0.3129%0.289SS..EExtended strand (participates in β ladder)trans-103.596.5162.6-174.4-33.5000108.6Q510 L511 D512 T513N508-Q510 PolarHBondContact O-N 2.94Å; N508-Q510 WeakPolarHBondContact OD1-CB 3.49Å; N508-Q510 PolarHBondContact OD1-N 3.03Å; N508-L511 HydrophobicContact CB-CB 4.44Å; N508-L511 WeakPolarHBondContact ND2-CD1 3.21Å; N508-L511 PolarHBondContact O-N 3.47Å; N508-L511 PolarHBondContact OD1-N 2.94Å; N508-L511 VanDerWaalsContact OD1-N 3.07Å; N508-D512 PolarHBondContact O-N 3.11Å; N508-T513 PolarHBondContact N-O 2.85Å; N508-T513 PolarHBondContact O-N 3.49Å
509K86.1Confident94.9Very high148 Ų14863.6 Ų63.664%0.64331%0.312SS*.THydrogen-bonded Turntrans-62.5-28.4179.8-66.9-175.7179.1-178.30113.4L511K509-L511 VanDerWaalsContact C-N 3.33Å
510Q87.6Confident94.9Very high174 Ų17466.9 Ų66.981%0.81332%0.323SS*.THydrogen-bonded Turntrans-71.6-32.8179.7-174.1179.48.200111.8N508N508-Q510 PolarHBondContact O-N 2.94Å; N508-Q510 WeakPolarHBondContact OD1-CB 3.49Å; N508-Q510 PolarHBondContact OD1-N 3.03Å
511L89.4Confident94.9Very high105 Ų10566.1 Ų66.155%0.5532%0.32SS..THydrogen-bonded Turntrans-100.90-178.6-58.4-179.6000113.2N508 K509 T513N508-L511 HydrophobicContact CB-CB 4.44Å; N508-L511 WeakPolarHBondContact ND2-CD1 3.21Å; N508-L511 PolarHBondContact O-N 3.47Å; N508-L511 PolarHBondContact OD1-N 2.94Å; N508-L511 VanDerWaalsContact OD1-N 3.07Å; K509-L511 VanDerWaalsContact C-N 3.33Å; L511-T513 HydrophobicContact CB-CG2 3.86Å; L511-T513 VanDerWaalsContact O-CG2 3.25Å; L511-T513 WeakPolarHBondContact O-CG2 3.28Å; L511-T513 PolarHBondContact O-N 3.33Å
512D91.2Very high95Very high42 Ų4263.2 Ų63.223%0.22531%0.31CS..THydrogen-bonded Turntrans47.344.1-171.2-76.7-47.7000112.4N407 R408 K409 Y478 N508N407-D512 HydrophobicContact CB-CB 3.79Å; N407-D512 PolarHBondContact ND2-OD2 2.75Å; N407-D512 VanDerWaalsContact ND2-OD2 3.15Å; N407-D512 PolarHBondContact OD1-OD2 2.73Å; R408-D512 WeakPolarHBondContact CA-O 3.36Å; R408-D512 PolarHBondContact N-O 2.95Å; K409-D512 PolarHBondContact N-O 3.48Å; Y478-D512 PolarHBondContact OH-O 3.09Å; Y478-D512 VanDerWaalsContact OH-O 3.06Å; N508-D512 PolarHBondContact O-N 3.11Å
513T95.7Very high95.1Very high14 Ų1467.6 Ų67.69%0.08633%0.333CS..EExtended strand (participates in β ladder)trans-122.6150.5179.9700000111.8K409 N411 N508 L511K409-T513 HydrophobicContact CB-CG2 3.76Å; K409-T513 HydrophobicContact CD-CG2 4.32Å; K409-T513 CarbonylContact O-C 3.56Å; K409-T513 VanDerWaalsContact O-CA 3.24Å; K409-T513 WeakPolarHBondContact O-CA 3.43Å; N411-T513 HydrophobicContact CB-CG2 4.49Å; N508-T513 PolarHBondContact N-O 2.85Å; N508-T513 PolarHBondContact O-N 3.49Å; L511-T513 HydrophobicContact CB-CG2 3.86Å; L511-T513 VanDerWaalsContact O-CG2 3.25Å; L511-T513 WeakPolarHBondContact O-CG2 3.28Å; L511-T513 PolarHBondContact O-N 3.33Å
514S97Very high95.3Very high1 Ų164.4 Ų64.41%0.00732%0.316CS..EExtended strand (participates in β ladder)trans-121.1141172-60.60000110.7K409 I410 N411 P476 D507K409-S514 PolarHBondContact O-N 3.34Å; I410-S514 WeakPolarHBondContact CA-O 3.4Å; N411-S514 PolarHBondContact N-O 3.12Å; N411-S514 PolarHBondContact OD1-O 2.7Å; P476-S514 VanDerWaalsContact CB-OG 3.23Å; P476-S514 WeakPolarHBondContact CB-OG 3.3Å; D507-S514 VanDerWaalsContact OD1-CB 3.25Å; D507-S514 WeakPolarHBondContact OD1-CB 3.29Å; D507-S514 PolarHBondContact OD1-OG 2.83Å
515Y97.8Very high95.5Very high80 Ų8061 Ų6131%0.31429%0.292SS..  trans-87.2130.6166179.9-97.1000109.4N411 N412 N506 P517N411-Y515 WeakPolarHBondContact OD1-CA 3.48Å; N411-Y515 WeakPolarHBondContact OD1-CB 3.44Å; N411-Y515 WeakPolarHBondContact OD1-CD2 3.39Å; N412-Y515 HydrophobicContact CB-CD2 3.67Å; N412-Y515 HydrophobicContact CB-CE2 3.68Å; N412-Y515 VanDerWaalsContact CG-CD2 3.44Å; N412-Y515 WeakPolarHBondContact ND2-CE2 3.41Å; N506-Y515 VanDerWaalsContact CB-O 3.3Å; N506-Y515 WeakPolarHBondContact CB-O 3.49Å; N506-Y515 WeakPolarHBondContact O-CB 3.47Å; N506-Y515 PolarHBondContact O-N 3.47Å; Y515-P517 HydrophobicContact CD1-CG 4.27Å; Y515-P517 HydrophobicContact CE1-CB 4.34Å; Y515-P517 HydrophobicContact CE1-CG 4.29Å; Y515-P517 WeakPolarHBondContact O-CD 3.4Å
516I98Very high95.6Very high1 Ų155.3 Ų55.31%0.00527%0.272CS..  trans-103.9110176.2-48.9-61.6000108I410 N412 L416 L474 Y500 I518 F521I410-I516 HydrophobicContact CG1-CG1 4.49Å; I410-I516 HydrophobicContact CG2-CG1 3.97Å; N412-I516 PolarHBondContact ND2-O 2.94Å; N412-I516 PolarHBondContact OD1-N 3.36Å; L416-I516 HydrophobicContact CD1-CB 4.18Å; L416-I516 HydrophobicContact CD1-CG1 4.28Å; L416-I516 HydrophobicContact CD2-CB 4.08Å; L416-I516 HydrophobicContact CD2-CG2 4.31Å; L474-I516 HydrophobicContact CD1-CD1 4.46Å; L474-I516 HydrophobicContact CD1-CG1 4.3Å; Y500-I516 HydrophobicContact CD1-CD1 3.82Å; Y500-I516 HydrophobicContact CD1-CG2 4.21Å; Y500-I516 HydrophobicContact CE1-CD1 3.59Å; Y500-I516 HydrophobicContact CE1-CG2 4.12Å; I516-I518 PolarHBondContact O-N 3.46Å; I516-F521 HydrophobicContact CG2-CB 4.06Å
517P98Very high95.7Very high25 Ų2559.3 Ų59.316%0.16229%0.29CS..  trans-57.1130.6-179.5-24.634.5000111.8Y500 N506 Y515 N519 E520 F521Y500-P517 VanDerWaalsContact OH-CD 3.26Å; Y500-P517 WeakPolarHBondContact OH-CD 3.4Å; N506-P517 VanDerWaalsContact ND2-CG 3.35Å; N506-P517 WeakPolarHBondContact ND2-CG 3.45Å; Y515-P517 HydrophobicContact CD1-CG 4.27Å; Y515-P517 HydrophobicContact CE1-CB 4.34Å; Y515-P517 HydrophobicContact CE1-CG 4.29Å; Y515-P517 WeakPolarHBondContact O-CD 3.4Å; P517-N519 VanDerWaalsContact C-N 3.26Å; P517-N519 PolarHBondContact O-N 3.38Å; P517-E520 HydrophobicContact CB-CB 4.23Å; P517-E520 HydrophobicContact CB-CG 3.96Å; P517-E520 HydrophobicContact CG-CG 4.31Å; P517-E520 PolarHBondContact O-N 3.1Å; P517-E520 VanDerWaalsContact O-N 3.11Å; P517-F521 PolarHBondContact O-N 2.88Å
518I98.3Very high95.8Very high36 Ų3658.2 Ų58.219%0.18529%0.285CS..Hα-helixtrans-59.8-35.7-172.7-57.7-52.8000112.8Q415 L416 K419 I516 F521 E522Q415-I518 HydrophobicContact CB-CD1 3.61Å; Q415-I518 HydrophobicContact CB-CG1 4.44Å; L416-I518 HydrophobicContact CD2-CD1 3.66Å; K419-I518 HydrophobicContact CB-CG2 4.09Å; K419-I518 HydrophobicContact CD-CG2 3.85Å; K419-I518 HydrophobicContact CG-CG2 3.79Å; I516-I518 PolarHBondContact O-N 3.46Å; I518-F521 PolarHBondContact O-N 2.85Å; I518-E522 WeakPolarHBondContact O-CB 3.4Å; I518-E522 PolarHBondContact O-N 2.91Å
519N97.6Very high96Very high127 Ų12755.7 Ų55.768%0.67927%0.271SS*.Hα-helixtrans-68.8-41.2178.2-64.1-7.8000111.9P517 E522 L523P517-N519 VanDerWaalsContact C-N 3.26Å; P517-N519 PolarHBondContact O-N 3.38Å; N519-E522 PolarHBondContact O-N 3.43Å; N519-L523 WeakPolarHBondContact O-CB 3.45Å; N519-L523 PolarHBondContact O-N 2.95Å
520E97.7Very high96.4Very high94 Ų9453.6 Ų53.644%0.43926%0.263SS..Hα-helixtrans-65.5-43.1175.6-64.4-63.2153.500110.6Y500 P517 L523 I524Y500-E520 HydrophobicContact CD2-CB 4.28Å; Y500-E520 HydrophobicContact CE2-CB 3.81Å; Y500-E520 HydrophobicContact CE2-CG 4.18Å; P517-E520 HydrophobicContact CB-CB 4.23Å; P517-E520 HydrophobicContact CB-CG 3.96Å; P517-E520 HydrophobicContact CG-CG 4.31Å; P517-E520 PolarHBondContact O-N 3.1Å; P517-E520 VanDerWaalsContact O-N 3.11Å; E520-L523 PolarHBondContact O-N 3.19Å; E520-I524 WeakPolarHBondContact O-CG2 3.47Å; E520-I524 PolarHBondContact O-N 3.44Å
521F98.5Very high96.7Very high1 Ų149 Ų490%0.00424%0.241CC..Hα-helixtrans-60.8-46175.1176.5-104.2000112.3L416 K419 L420 I452 I516 P517 I518 L523 I524 F525L416-F521 HydrophobicContact CB-CD1 4.27Å; L416-F521 HydrophobicContact CB-CE1 3.98Å; L416-F521 HydrophobicContact CB-CE2 4.28Å; L416-F521 HydrophobicContact CB-CZ 3.99Å; L416-F521 HydrophobicContact CD1-CD2 4.22Å; L416-F521 HydrophobicContact CD1-CE2 4.28Å; L416-F521 HydrophobicContact CD2-CB 3.87Å; L416-F521 HydrophobicContact CD2-CD1 3.89Å; L416-F521 HydrophobicContact CD2-CD2 3.99Å; L416-F521 HydrophobicContact CD2-CE1 4.45Å; L416-F521 HydrophobicContact CD2-CG 3.63Å; L416-F521 HydrophobicContact CG-CD2 4.49Å; L416-F521 HydrophobicContact CG-CG 4.49Å; K419-F521 HydrophobicContact CG-CD1 4.45Å; L420-F521 HydrophobicContact CD1-CZ 4.15Å; L420-F521 HydrophobicContact CD2-CE1 3.89Å; L420-F521 HydrophobicContact CD2-CZ 3.9Å; L420-F521 HydrophobicContact CG-CE1 3.89Å; L420-F521 HydrophobicContact CG-CZ 3.93Å; I452-F521 HydrophobicContact CD1-CE2 4.04Å; I452-F521 HydrophobicContact CD1-CZ 4.08Å; I452-F521 HydrophobicContact CG2-CE2 4.3Å; I516-F521 HydrophobicContact CG2-CB 4.06Å; P517-F521 PolarHBondContact O-N 2.88Å; I518-F521 PolarHBondContact O-N 2.85Å; F521-L523 VanDerWaalsContact C-N 3.34Å; F521-L523 PolarHBondContact O-N 3.22Å; F521-I524 VanDerWaalsContact O-CG2 3.3Å; F521-I524 WeakPolarHBondContact O-CG2 3.46Å; F521-F525 WeakPolarHBondContact O-CB 3.43Å; F521-F525 PolarHBondContact O-N 3.2Å
522E98.3Very high97Very high55 Ų5544.9 Ų44.926%0.25722%0.218SC..Hα-helixtrans-60.4-44.2176174.2171.7-148.900111.6K419 L423 I518 N519 F525 M526K419-E522 VanDerWaalsContact CE-OE1 3.29Å; K419-E522 WeakPolarHBondContact CE-OE1 3.29Å; K419-E522 WeakPolarHBondContact CE-OE2 3.41Å; K419-E522 IonicContact NZ-OE1 2.95Å; K419-E522 PolarHBondContact NZ-OE1 2.84Å; K419-E522 IonicContact NZ-OE2 2.68Å; K419-E522 PolarHBondContact NZ-OE2 2.88Å; L423-E522 HydrophobicContact CD1-CG 4.34Å; I518-E522 WeakPolarHBondContact O-CB 3.4Å; I518-E522 PolarHBondContact O-N 2.91Å; N519-E522 PolarHBondContact O-N 3.43Å; E522-F525 PolarHBondContact O-N 2.8Å; E522-M526 HydrophobicContact CG-CG 4.3Å; E522-M526 WeakPolarHBondContact O-CB 3.32Å; E522-M526 VanDerWaalsContact O-CG 3.27Å; E522-M526 WeakPolarHBondContact O-CG 3.24Å; E522-M526 PolarHBondContact O-N 3.5Å
523L98Very high97Very high94 Ų9447.1 Ų47.149%0.49223%0.225SC..Hα-helixtrans-59.8-55.4180-178.766.7000111.6N519 E520 F521 F525 M526 Q527N519-L523 WeakPolarHBondContact O-CB 3.45Å; N519-L523 PolarHBondContact O-N 2.95Å; E520-L523 PolarHBondContact O-N 3.19Å; F521-L523 VanDerWaalsContact C-N 3.34Å; F521-L523 PolarHBondContact O-N 3.22Å; L523-F525 VanDerWaalsContact C-N 3.31Å; L523-F525 PolarHBondContact O-N 3.07Å; L523-M526 PolarHBondContact O-N 3.08Å; L523-Q527 VanDerWaalsContact O-CG 3.29Å; L523-Q527 WeakPolarHBondContact O-CG 2.99Å; L523-Q527 PolarHBondContact O-N 2.9Å
524I98.2Very high96.8Very high12 Ų1250.5 Ų50.56%0.06224%0.24CC..Hα-helixtrans-64.7-37.3-179.6-168.8173.5000111.7I472 N498 A499 E520 F521 T528I472-I524 HydrophobicContact CG2-CD1 3.85Å; I472-I524 HydrophobicContact CG2-CG1 4.28Å; I472-I524 HydrophobicContact CG2-CG2 4.43Å; N498-I524 HydrophobicContact CB-CD1 4.01Å; N498-I524 HydrophobicContact CB-CG1 3.86Å; A499-I524 VanDerWaalsContact O-CD1 3.32Å; A499-I524 WeakPolarHBondContact O-CD1 3.3Å; E520-I524 WeakPolarHBondContact O-CG2 3.47Å; E520-I524 PolarHBondContact O-N 3.44Å; F521-I524 VanDerWaalsContact O-CG2 3.3Å; F521-I524 WeakPolarHBondContact O-CG2 3.46Å; I524-T528 WeakPolarHBondContact O-CB 3.48Å; I524-T528 PolarHBondContact O-N 2.86Å; I524-T528 PolarHBondContact O-OG1 2.65Å
525F98.5Very high96.4Very high0 Ų052 Ų520%025%0.248CC..Hα-helixtrans-64.7-48.1177.7173.2-101.1000111.4I387 L420 L423 F425 I450 I452 I472 F521 E522 L523 Q527 T528 F529I387-F525 HydrophobicContact CD1-CE2 3.54Å; I387-F525 HydrophobicContact CD1-CZ 3.5Å; I387-F525 VanDerWaalsContact CD1-CZ 3.5Å; I387-F525 HydrophobicContact CG1-CE2 4.46Å; L420-F525 HydrophobicContact CD2-CD1 3.75Å; L420-F525 HydrophobicContact CD2-CD2 3.58Å; L420-F525 HydrophobicContact CD2-CE1 3.63Å; L420-F525 HydrophobicContact CD2-CE2 3.47Å; L420-F525 VanDerWaalsContact CD2-CE2 3.47Å; L420-F525 HydrophobicContact CD2-CG 3.73Å; L420-F525 HydrophobicContact CD2-CZ 3.49Å; L420-F525 VanDerWaalsContact CD2-CZ 3.49Å; L423-F525 HydrophobicContact CD1-CD1 4.02Å; L423-F525 HydrophobicContact CD1-CE1 4.19Å; F425-F525 HydrophobicContact CD1-CZ 4.22Å; F425-F525 AromaticContact CD2-CE1 3.7Å; F425-F525 HydrophobicContact CD2-CE1 3.7Å; F425-F525 AromaticContact CD2-CZ 3.77Å; F425-F525 HydrophobicContact CD2-CZ 3.77Å; F425-F525 HydrophobicContact CE1-CZ 4.08Å; F425-F525 AromaticContact CE2-CE1 3.37Å; F425-F525 HydrophobicContact CE2-CE1 3.37Å; F425-F525 AromaticContact CE2-CZ 3.66Å; F425-F525 HydrophobicContact CE2-CZ 3.66Å; F425-F525 HydrophobicContact CG-CE1 4.45Å; F425-F525 HydrophobicContact CG-CZ 4.06Å; F425-F525 AromaticContact CZ-CE1 3.83Å; F425-F525 HydrophobicContact CZ-CE1 3.83Å; F425-F525 AromaticContact CZ-CZ 3.8Å; F425-F525 HydrophobicContact CZ-CZ 3.8Å; I450-F525 HydrophobicContact CD1-CE2 3.84Å; I450-F525 HydrophobicContact CD1-CZ 4.45Å; I452-F525 HydrophobicContact CD1-CD2 4.3Å; I472-F525 HydrophobicContact CD1-CB 4.4Å; I472-F525 HydrophobicContact CD1-CD2 4.13Å; F521-F525 WeakPolarHBondContact O-CB 3.43Å; F521-F525 PolarHBondContact O-N 3.2Å; E522-F525 PolarHBondContact O-N 2.8Å; L523-F525 VanDerWaalsContact C-N 3.31Å; L523-F525 PolarHBondContact O-N 3.07Å; F525-Q527 PolarHBondContact O-N 2.86Å; F525-T528 WeakPolarHBondContact O-CB 3.19Å; F525-T528 PolarHBondContact O-N 2.92Å; F525-F529 HydrophobicContact CE1-CB 4.47Å; F525-F529 HydrophobicContact CZ-CB 4.37Å; F525-F529 WeakPolarHBondContact O-CB 3.34Å; F525-F529 PolarHBondContact O-N 3.02Å
526M97.8Very high95.9Very high53 Ų5349 Ų4926%0.26124%0.237SC..Hα-helixtrans-64.7-40.1179.8-71.6-59.1-65.200111.8L423 E522 L523 T528 F529 H530L423-M526 HydrophobicContact CD1-SD 4.26Å; E522-M526 HydrophobicContact CG-CG 4.3Å; E522-M526 WeakPolarHBondContact O-CB 3.32Å; E522-M526 VanDerWaalsContact O-CG 3.27Å; E522-M526 WeakPolarHBondContact O-CG 3.24Å; E522-M526 PolarHBondContact O-N 3.5Å; L523-M526 PolarHBondContact O-N 3.08Å; M526-T528 VanDerWaalsContact C-N 3.34Å; M526-T528 PolarHBondContact O-N 3.29Å; M526-F529 HydrophobicContact CE-CD1 4.38Å; M526-F529 PolarHBondContact O-N 3.21Å; M526-H530 PolarHBondContact O-CD2 2.92Å; M526-H530 PolarHBondContact O-N 3.04Å
527Q97.2Very high95.4Very high103 Ų10353.3 Ų53.348%0.48126%0.257SS..Hα-helixtrans-57.2-47.7171.6-73.2172.8-600111.6L523 F525 K531L523-Q527 VanDerWaalsContact O-CG 3.29Å; L523-Q527 WeakPolarHBondContact O-CG 2.99Å; L523-Q527 PolarHBondContact O-N 2.9Å; F525-Q527 PolarHBondContact O-N 2.86Å; Q527-K531 PolarHBondContact O-N 3.47Å
528T97.9Very high94.8Very high0 Ų057.2 Ų57.20%027%0.272CS..Hα-helixtrans-61.6-46.4177.4-55.70000111.7I450 I472 N498 I524 F525 M526 H530 K531 W532I450-T528 HydrophobicContact CD1-CG2 4.46Å; I450-T528 HydrophobicContact CG2-CG2 4.14Å; I472-T528 HydrophobicContact CD1-CG2 3.95Å; I472-T528 WeakPolarHBondContact CD1-OG1 3.39Å; I472-T528 HydrophobicContact CG1-CG2 3.76Å; I472-T528 WeakPolarHBondContact CG1-OG1 3.46Å; N498-T528 WeakPolarHBondContact ND2-CA 3.25Å; N498-T528 PolarHBondContact ND2-OG1 3.13Å; I524-T528 WeakPolarHBondContact O-CB 3.48Å; I524-T528 PolarHBondContact O-N 2.86Å; I524-T528 PolarHBondContact O-OG1 2.65Å; F525-T528 WeakPolarHBondContact O-CB 3.19Å; F525-T528 PolarHBondContact O-N 2.92Å; M526-T528 VanDerWaalsContact C-N 3.34Å; M526-T528 PolarHBondContact O-N 3.29Å; T528-H530 PolarHBondContact O-N 3.4Å; T528-K531 PolarHBondContact O-N 2.65Å; T528-W532 WeakPolarHBondContact O-CB 3.34Å; T528-W532 PolarHBondContact O-N 3.14Å
529F96.8Very high94Very high5 Ų557.5 Ų57.52%0.02227%0.272CS..Hα-helixtrans-62-44.3-179169-108.7000112.3Y382 I385 F425 I450 F525 M526 K531 W532 K533Y382-F529 HydrophobicContact CD1-CZ 4.06Å; Y382-F529 HydrophobicContact CE1-CE1 4.31Å; Y382-F529 HydrophobicContact CE1-CE2 4.43Å; Y382-F529 AromaticContact CE1-CZ 3.56Å; Y382-F529 HydrophobicContact CE1-CZ 3.56Å; I385-F529 HydrophobicContact CD1-CE2 3.74Å; F425-F529 AromaticContact CE1-CD2 3.68Å; F425-F529 HydrophobicContact CE1-CD2 3.68Å; F425-F529 AromaticContact CE1-CE2 3.59Å; F425-F529 HydrophobicContact CE1-CE2 3.59Å; F425-F529 HydrophobicContact CE1-CG 4.3Å; F425-F529 HydrophobicContact CE1-CZ 4.12Å; F425-F529 HydrophobicContact CZ-CD1 4.06Å; F425-F529 AromaticContact CZ-CD2 3.72Å; F425-F529 HydrophobicContact CZ-CD2 3.72Å; F425-F529 HydrophobicContact CZ-CE1 4.08Å; F425-F529 AromaticContact CZ-CE2 3.77Å; F425-F529 HydrophobicContact CZ-CE2 3.77Å; F425-F529 AromaticContact CZ-CG 3.87Å; F425-F529 HydrophobicContact CZ-CG 3.87Å; F425-F529 AromaticContact CZ-CZ 3.94Å; F425-F529 HydrophobicContact CZ-CZ 3.94Å; I450-F529 HydrophobicContact CD1-CB 4.29Å; I450-F529 HydrophobicContact CD1-CD2 4.5Å; F525-F529 HydrophobicContact CE1-CB 4.47Å; F525-F529 HydrophobicContact CZ-CB 4.37Å; F525-F529 WeakPolarHBondContact O-CB 3.34Å; F525-F529 PolarHBondContact O-N 3.02Å; M526-F529 HydrophobicContact CE-CD1 4.38Å; M526-F529 PolarHBondContact O-N 3.21Å; F529-K531 VanDerWaalsContact C-N 3.3Å; F529-K531 PolarHBondContact O-N 3.23Å; F529-W532 AromaticContact CD2-CE3 3.92Å; F529-W532 HydrophobicContact CD2-CE3 3.92Å; F529-W532 HydrophobicContact CD2-CZ3 4.3Å; F529-W532 AromaticContact CE2-CE3 3.86Å; F529-W532 HydrophobicContact CE2-CE3 3.86Å; F529-W532 AromaticContact CE2-CZ3 3.81Å; F529-W532 HydrophobicContact CE2-CZ3 3.81Å; F529-W532 PolarHBondContact O-N 3.29Å; F529-K533 WeakPolarHBondContact O-CB 3.36Å; F529-K533 PolarHBondContact O-N 3.41Å
530H95.4Very high93.2Very high103 Ų10358.2 Ų58.248%0.47727%0.269SS..Hα-helixtrans-59.2-43.7175.6-72.6-51.8000111.3M526 T528 K533 E534M526-H530 PolarHBondContact O-CD2 2.92Å; M526-H530 PolarHBondContact O-N 3.04Å; T528-H530 PolarHBondContact O-N 3.4Å; H530-K533 PolarHBondContact O-N 3.32Å; H530-E534 PolarHBondContact O-N 3.38Å; H530-E534 VanDerWaalsContact O-N 3.11Å
531K94.3Very high92.4Very high79 Ų7961.6 Ų61.634%0.34328%0.283SS..Hα-helixtrans-67-42.6178.6-168.455.4167.6-1690113.2N496 Q527 T528 F529 K533 E534 N535N496-K531 HydrophobicContact CB-CG 4.12Å; N496-K531 VanDerWaalsContact CG-CG 3.46Å; N496-K531 VanDerWaalsContact OD1-CG 3.31Å; N496-K531 WeakPolarHBondContact OD1-CG 3.41Å; Q527-K531 PolarHBondContact O-N 3.47Å; T528-K531 PolarHBondContact O-N 2.65Å; F529-K531 VanDerWaalsContact C-N 3.3Å; F529-K531 PolarHBondContact O-N 3.23Å; K531-K533 VanDerWaalsContact C-N 3.3Å; K531-K533 PolarHBondContact O-N 2.85Å; K531-E534 WeakPolarHBondContact CD-OE2 3.14Å; K531-E534 IonicContact NZ-OE2 2.79Å; K531-E534 PolarHBondContact NZ-OE2 3.29Å; K531-E534 VanDerWaalsContact NZ-OE2 3.13Å; K531-E534 WeakPolarHBondContact O-CB 3.21Å; K531-E534 PolarHBondContact O-N 3.15Å; K531-N535 PolarHBondContact O-N 2.83Å
532W94.1Very high91.5Very high18 Ų1868.8 Ų68.87%0.06831%0.314CS..Hα-helixtrans-56.3-45173.317284.2000111.6I385 N449 I450 T468 T528 F529 E534 N535 I536I385-W532 HydrophobicContact CB-CH2 4.39Å; I385-W532 HydrophobicContact CD1-CH2 3.57Å; I385-W532 HydrophobicContact CD1-CZ3 3.54Å; I385-W532 HydrophobicContact CG1-CH2 3.68Å; I385-W532 HydrophobicContact CG1-CZ3 4.19Å; I385-W532 HydrophobicContact CG2-CH2 3.89Å; I385-W532 HydrophobicContact CG2-CZ2 4.06Å; I385-W532 HydrophobicContact CG2-CZ3 4.36Å; N449-W532 HydrophobicContact CB-CZ2 3.57Å; N449-W532 PolarHBondContact O-NE1 3.4Å; I450-W532 HydrophobicContact CG1-CG 4.38Å; T468-W532 PolarHBondContact O-NE1 3.24Å; T528-W532 WeakPolarHBondContact O-CB 3.34Å; T528-W532 PolarHBondContact O-N 3.14Å; F529-W532 AromaticContact CD2-CE3 3.92Å; F529-W532 HydrophobicContact CD2-CE3 3.92Å; F529-W532 HydrophobicContact CD2-CZ3 4.3Å; F529-W532 AromaticContact CE2-CE3 3.86Å; F529-W532 HydrophobicContact CE2-CE3 3.86Å; F529-W532 AromaticContact CE2-CZ3 3.81Å; F529-W532 HydrophobicContact CE2-CZ3 3.81Å; F529-W532 PolarHBondContact O-N 3.29Å; W532-E534 PolarHBondContact O-N 2.99Å; W532-N535 PolarHBondContact O-N 3.19Å; W532-N535 VanDerWaalsContact O-N 3.17Å; W532-I536 HydrophobicContact CD2-CD1 3.94Å; W532-I536 HydrophobicContact CE3-CD1 4.33Å; W532-I536 HydrophobicContact CH2-CD1 3.44Å; W532-I536 VanDerWaalsContact CH2-CD1 3.44Å; W532-I536 HydrophobicContact CZ2-CD1 2.97Å; W532-I536 HydrophobicContact CZ2-CG1 4.26Å; W532-I536 HydrophobicContact CZ3-CD1 4.09Å; W532-I536 PolarHBondContact O-N 3.11Å
533K92.3Very high90Very high88 Ų8869.8 Ų69.838%0.38332%0.315SS..Hα-helixtrans-61.6-45.1178.4-173.2-178.7176.3-174.90111.7F529 H530 K531 N535 I536 E537F529-K533 WeakPolarHBondContact O-CB 3.36Å; F529-K533 PolarHBondContact O-N 3.41Å; H530-K533 PolarHBondContact O-N 3.32Å; K531-K533 VanDerWaalsContact C-N 3.3Å; K531-K533 PolarHBondContact O-N 2.85Å; K533-N535 VanDerWaalsContact C-N 3.3Å; K533-N535 PolarHBondContact O-N 2.56Å; K533-I536 PolarHBondContact O-N 2.91Å; K533-E537 VanDerWaalsContact CE-OE1 3.29Å; K533-E537 WeakPolarHBondContact CE-OE1 3.46Å; K533-E537 WeakPolarHBondContact O-CG 3.31Å; K533-E537 PolarHBondContact O-N 2.97Å
534E91.5Very high87.9Confident86 Ų8674.7 Ų74.740%0.40233%0.332SS..Hα-helixtrans-56.8-43.5173.7-69.9177.8-179.100112H530 K531 W532 E537 K538H530-E534 PolarHBondContact O-N 3.38Å; H530-E534 VanDerWaalsContact O-N 3.11Å; K531-E534 WeakPolarHBondContact CD-OE2 3.14Å; K531-E534 IonicContact NZ-OE2 2.79Å; K531-E534 PolarHBondContact NZ-OE2 3.29Å; K531-E534 VanDerWaalsContact NZ-OE2 3.13Å; K531-E534 WeakPolarHBondContact O-CB 3.21Å; K531-E534 PolarHBondContact O-N 3.15Å; W532-E534 PolarHBondContact O-N 2.99Å; E534-E537 PolarHBondContact O-N 3.32Å; E534-K538 VanDerWaalsContact O-CG 3.3Å; E534-K538 WeakPolarHBondContact O-CG 3.31Å; E534-K538 PolarHBondContact O-N 2.98Å
535N88.3Confident85.3Confident33 Ų3379.6 Ų79.618%0.17637%0.367CS..Hα-helixtrans-66.5-41.7-178.3-72.3-10.2000111.8K531 W532 K533 K538 E539K531-N535 PolarHBondContact O-N 2.83Å; W532-N535 PolarHBondContact O-N 3.19Å; W532-N535 VanDerWaalsContact O-N 3.17Å; K533-N535 VanDerWaalsContact C-N 3.3Å; K533-N535 PolarHBondContact O-N 2.56Å; N535-K538 PolarHBondContact O-N 2.79Å; N535-E539 PolarHBondContact O-N 3.23Å
536I87.2Confident84.7Confident16 Ų1683.6 Ų83.68%0.08239%0.385CS..Hα-helixtrans-62.1-44173.7-76.2-172.7000111.7Y298 T468 W532 K533 K538 E539 K540Y298-I536 WeakPolarHBondContact OH-CD1 3.45Å; T468-I536 HydrophobicContact CG2-CG1 3.93Å; W532-I536 HydrophobicContact CD2-CD1 3.94Å; W532-I536 HydrophobicContact CE3-CD1 4.33Å; W532-I536 HydrophobicContact CH2-CD1 3.44Å; W532-I536 VanDerWaalsContact CH2-CD1 3.44Å; W532-I536 HydrophobicContact CZ2-CD1 2.97Å; W532-I536 HydrophobicContact CZ2-CG1 4.26Å; W532-I536 HydrophobicContact CZ3-CD1 4.09Å; W532-I536 PolarHBondContact O-N 3.11Å; K533-I536 PolarHBondContact O-N 2.91Å; I536-K538 VanDerWaalsContact C-N 3.29Å; I536-K538 PolarHBondContact O-N 2.91Å; I536-E539 PolarHBondContact O-N 3.04Å; I536-K540 HydrophobicContact CG2-CD 4.01Å; I536-K540 HydrophobicContact CG2-CG 4.35Å; I536-K540 WeakPolarHBondContact O-CB 2.97Å; I536-K540 WeakPolarHBondContact O-CG 3.39Å; I536-K540 PolarHBondContact O-N 2.83Å
537E87.2Confident84Confident91 Ų9185.2 Ų85.243%0.42539%0.391SS..Hα-helixtrans-63.5-37.2178.5-72175.4-172.600111.7K533 E534 K541K533-E537 VanDerWaalsContact CE-OE1 3.29Å; K533-E537 WeakPolarHBondContact CE-OE1 3.46Å; K533-E537 WeakPolarHBondContact O-CG 3.31Å; K533-E537 PolarHBondContact O-N 2.97Å; E534-E537 PolarHBondContact O-N 3.32Å; E537-K541 VanDerWaalsContact O-CG 3.29Å; E537-K541 WeakPolarHBondContact O-CG 3.45Å; E537-K541 PolarHBondContact O-N 3.37Å; E537-K541 VanDerWaalsContact O-N 3.17Å
538K86.5Confident83.2Confident107 Ų10784.2 Ų84.247%0.46539%0.386SS..Hα-helixtrans-65-46.5172.7-73.2170.6-175.1171.10112E534 N535 I536 K541 K542E534-K538 VanDerWaalsContact O-CG 3.3Å; E534-K538 WeakPolarHBondContact O-CG 3.31Å; E534-K538 PolarHBondContact O-N 2.98Å; N535-K538 PolarHBondContact O-N 2.79Å; I536-K538 VanDerWaalsContact C-N 3.29Å; I536-K538 PolarHBondContact O-N 2.91Å; K538-K541 WeakPolarHBondContact O-CB 3.42Å; K538-K541 PolarHBondContact O-N 2.9Å; K538-K542 WeakPolarHBondContact O-CG 3.25Å; K538-K542 PolarHBondContact O-N 2.92Å
539E81.3Confident82.4Confident42 Ų4289.1 Ų89.120%0.19641%0.409CS..Hα-helixtrans-65.4-40.8179.2-78.3-57128.500112.3T468 N535 I536 K541 K542 R543T468-E539 HydrophobicContact CG2-CB 3.79Å; T468-E539 HydrophobicContact CG2-CG 3.53Å; N535-E539 PolarHBondContact O-N 3.23Å; I536-E539 PolarHBondContact O-N 3.04Å; E539-K541 VanDerWaalsContact C-N 3.29Å; E539-K541 PolarHBondContact O-N 2.86Å; E539-K542 PolarHBondContact O-N 2.97Å; E539-K542 WeakPolarHBondContact OE1-CD 3.14Å; E539-K542 IonicContact OE1-NZ 3.13Å; E539-K542 PolarHBondContact OE1-NZ 2.85Å; E539-R543 WeakPolarHBondContact O-CG 3.25Å; E539-R543 PolarHBondContact O-N 3.17Å; E539-R543 IonicContact OE2-NE 3.63Å
540K79.6Confident81.5Confident142 Ų14294.4 Ų94.462%0.61743%0.433SS*.Hα-helixtrans-57-42.9172.1-75179177.7-177.10111.6I536I536-K540 HydrophobicContact CG2-CD 4.01Å; I536-K540 HydrophobicContact CG2-CG 4.35Å; I536-K540 WeakPolarHBondContact O-CB 2.97Å; I536-K540 WeakPolarHBondContact O-CG 3.39Å; I536-K540 PolarHBondContact O-N 2.83Å
541K82.5Confident80.5Confident166 Ų16693.8 Ų93.872%0.72243%0.43SS*.Hα-helixtrans-66.3-39.5176.2-72.5171.1-177.4175.90113E537 K538 E539E537-K541 VanDerWaalsContact O-CG 3.29Å; E537-K541 WeakPolarHBondContact O-CG 3.45Å; E537-K541 PolarHBondContact O-N 3.37Å; E537-K541 VanDerWaalsContact O-N 3.17Å; K538-K541 WeakPolarHBondContact O-CB 3.42Å; K538-K541 PolarHBondContact O-N 2.9Å; E539-K541 VanDerWaalsContact C-N 3.29Å; E539-K541 PolarHBondContact O-N 2.86Å
542K78.9Confident79.6Confident151 Ų15194.9 Ų94.966%0.65744%0.437SS*.Hα-helixtrans-65.8-39.5179.5-75.8-177.9-169.8167.10112.5K538 E539 K544K538-K542 WeakPolarHBondContact O-CG 3.25Å; K538-K542 PolarHBondContact O-N 2.92Å; E539-K542 PolarHBondContact O-N 2.97Å; E539-K542 WeakPolarHBondContact OE1-CD 3.14Å; E539-K542 IonicContact OE1-NZ 3.13Å; E539-K542 PolarHBondContact OE1-NZ 2.85Å; K542-K544 VanDerWaalsContact C-N 3.32Å; K542-K544 PolarHBondContact O-N 3.36Å
543R67.4Low78.4Confident77 Ų77100.8 Ų100.829%0.29147%0.465SS..Hα-helixtrans-75.4-14.2-167.8-72.6173.2176.7-168-12.4115.1Y298 N299 E539 C545Y298-R543 PolarHBondContact O-NH1 2.75Å; Y298-R543 PolarHBondContact O-NH2 3.45Å; N299-R543 PolarHBondContact OD1-NH2 3.49Å; E539-R543 WeakPolarHBondContact O-CG 3.25Å; E539-R543 PolarHBondContact O-N 3.17Å; E539-R543 IonicContact OE2-NE 3.63Å; R543-C545 PolarHBondContact O-N 2.78Å
544K52.3Low77.3Confident196 Ų196101.8 Ų101.885%0.85247%0.472SS*.THydrogen-bonded Turntrans39.436.2-171.8-70.1-172.1178.8178.60112.3K542K542-K544 VanDerWaalsContact C-N 3.32Å; K542-K544 PolarHBondContact O-N 3.36Å
545C45Very low76Confident115 Ų115103.3 Ų103.378%0.77748%0.478SS*.  trans-74.50145.5-27.30000104.6C301 R543C301-C545 VanDerWaalsContact CA-SG 3.56Å; C301-C545 HydrophobicContact CB-CB 3.72Å; C301-C545 WeakPolarHBondContact CB-SG 3.29Å; C301-C545 WeakPolarHBondContact SG-CB 3.46Å; C301-C545 CovalentContact SG-SG 2.04Å; C301-C545 PolarHBondContact SG-SG 3.47Å; R543-C545 PolarHBondContact O-N 2.78Å

Retrieved 545 of 545 residues in 590.3 ms (Link to these results)

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