A0A087X6I6_POEFO Loading...

Beta-1,4-N-acetylgalactosaminyltransferase

Transfers N-acetylgalactosamine (GalNAc) from UDP-GalNAc to N-acetylglucosamine-beta-benzyl with a beta-1,4-linkage to form N,N'-diacetyllactosediamine, GalNAc-beta-1,4-GlcNAc structures in N-linked glycans and probably O-linked glycans.

AlphaFold DB , UniProt , Accession A0A087X6I6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,108 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
1M46.3Very low54Low233 Ų233163 Ų163100%1.14875%0.753SS**  0145.90-70.2-176.2179.300109.2
2L35.2Very low55.2Low174 Ų174159.9 Ų159.991%0.91174%0.739SS**  trans-150.1133.5159.7-98.1129.8000107.4
3R45.2Very low57.1Low244 Ų244158.8 Ų158.892%0.92173%0.731SS**  trans-100121.2-173.3-78.8179.6168.4169.4-3.7111
4F42.5Very low58.3Low181 Ų181159.4 Ų159.479%0.79473%0.731SS**  trans-75.7143.4171.9-85.6-96.3000112.2V6F4-V6 PolarHBondContact O-N 3.08Å
5P59.6Low59.7Low91 Ų91156.1 Ų156.159%0.59172%0.721SS**  trans-8381.4-176.633.4-35.9000112.8K7 K8P5-K7 PolarHBondContact O-N 2.61Å; P5-K8 PolarHBondContact O-N 3.43Å
6V55.1Low61Low93 Ų93153.1 Ų153.156%0.56471%0.711SS**Hα-helixtrans-49.2-26.4179.4-179.30000114F4 K8 R10F4-V6 PolarHBondContact O-N 3.08Å; V6-K8 PolarHBondContact O-N 2.69Å; V6-R10 PolarHBondContact O-N 2.97Å
7K53.8Low62.2Low192 Ų192150.1 Ų150.184%0.83570%0.701SS**Hα-helixtrans-62.4-35.3176.7-70.2-173.3177.3-177.90113.9P5P5-K7 PolarHBondContact O-N 2.61Å
8K54.9Low63.4Low114 Ų114147.5 Ų147.550%0.49669%0.692SS.*Hα-helixtrans-72.7-41.5-177.7-137.4179.8-174.3-172.70111.2P5 V6 R10 K11 Q12 P484P5-K8 PolarHBondContact O-N 3.43Å; V6-K8 PolarHBondContact O-N 2.69Å; K8-R10 PolarHBondContact O-N 2.88Å; K8-K11 PolarHBondContact O-N 2.95Å; K8-Q12 PolarHBondContact O-N 3.49Å; K8-P484 PolarHBondContact NZ-O 2.84Å
9I68.2Low64.4Low106 Ų106144.9 Ų144.954%0.54468%0.682SS.*Hα-helixtrans-60.1-45.6177-59.7172.4000111.3K11 Q12 F13I9-K11 VanDerWaalsContact C-N 3.28Å; I9-K11 PolarHBondContact O-N 2.98Å; I9-Q12 PolarHBondContact O-N 3.35Å; I9-F13 PolarHBondContact O-N 3.24Å
10R65.5Low65.5Low193 Ų193141.5 Ų141.573%0.72867%0.671SS**Hα-helixtrans-63.4-26.4178.1-84.4-173.3172.4178-1.7114.3V6 K8V6-R10 PolarHBondContact O-N 2.97Å; K8-R10 PolarHBondContact O-N 2.88Å
11K67.8Low66.4Low172 Ų172140 Ų14075%0.74867%0.667SS**Hα-helixtrans-73.4-49.1172.2-104.4-165.3172.3-167.10111.1K8 I9 F13 K14 L15K8-K11 PolarHBondContact O-N 2.95Å; I9-K11 VanDerWaalsContact C-N 3.28Å; I9-K11 PolarHBondContact O-N 2.98Å; K11-F13 PolarHBondContact O-N 2.82Å; K11-K14 PolarHBondContact O-N 2.75Å; K11-L15 PolarHBondContact O-N 2.68Å; K11-L15 VanDerWaalsContact O-N 3.13Å
12Q68.8Low68.2Low126 Ų126133.9 Ų133.959%0.58964%0.638SS**Hα-helixtrans-64.3-37.5179.8-75.2-179-4100112.8K8 I9 K14 L15 L16K8-Q12 PolarHBondContact O-N 3.49Å; I9-Q12 PolarHBondContact O-N 3.35Å; Q12-K14 VanDerWaalsContact C-N 3.3Å; Q12-K14 PolarHBondContact O-N 2.82Å; Q12-L15 PolarHBondContact O-N 3.02Å; Q12-L16 WeakPolarHBondContact O-CB 3.45Å; Q12-L16 PolarHBondContact O-N 3.41Å
13F79.3Confident70.3Confident146 Ų146129.7 Ų129.764%0.6462%0.62SS**Hα-helixtrans-65.8-31177.1-146.1-83.6000113I9 K11 L17I9-F13 PolarHBondContact O-N 3.24Å; K11-F13 PolarHBondContact O-N 2.82Å; F13-L17 WeakPolarHBondContact O-CB 3.44Å; F13-L17 PolarHBondContact O-N 2.81Å
14K74.6Confident71.8Confident167 Ų167120.8 Ų120.873%0.72660%0.595SS**Hα-helixtrans-71.5-40.3171.8-80.5-166.4170.7-161.80112.4K11 Q12 L17 L18K11-K14 PolarHBondContact O-N 2.75Å; Q12-K14 VanDerWaalsContact C-N 3.3Å; Q12-K14 PolarHBondContact O-N 2.82Å; K14-L17 PolarHBondContact O-N 2.81Å; K14-L18 PolarHBondContact O-N 3.06Å
15L78.4Confident73.5Confident110 Ų110114.8 Ų114.858%0.57658%0.579SS**Hα-helixtrans-64.4-43.1177.3-168.670.1000111.2K11 Q12 L17 L18 L19K11-L15 PolarHBondContact O-N 2.68Å; K11-L15 VanDerWaalsContact O-N 3.13Å; Q12-L15 PolarHBondContact O-N 3.02Å; L15-L17 PolarHBondContact O-N 2.58Å; L15-L18 WeakPolarHBondContact O-CB 3.13Å; L15-L18 PolarHBondContact O-N 3.29Å; L15-L19 PolarHBondContact O-N 3.17Å
16L80.3Confident74.5Confident108 Ų108115.3 Ų115.357%0.56558%0.58SS**Hα-helixtrans-61.7-42175.7-158.282.4000111.9Q12 L18 L19 V20Q12-L16 WeakPolarHBondContact O-CB 3.45Å; Q12-L16 PolarHBondContact O-N 3.41Å; L16-L18 VanDerWaalsContact C-N 3.32Å; L16-L18 PolarHBondContact O-N 3.2Å; L16-L19 PolarHBondContact O-N 2.78Å; L16-V20 WeakPolarHBondContact O-CG2 3.15Å; L16-V20 PolarHBondContact O-N 2.96Å
17L81.9Confident75.5Confident102 Ų102119 Ų11953%0.53458%0.584SS.*Hα-helixtrans-64.1-37.1176.5-167.173.1000112.1F13 K14 L15 L21F13-L17 WeakPolarHBondContact O-CB 3.44Å; F13-L17 PolarHBondContact O-N 2.81Å; K14-L17 PolarHBondContact O-N 2.81Å; L15-L17 PolarHBondContact O-N 2.58Å; L17-L21 HydrophobicContact CG-CD1 4.39Å; L17-L21 VanDerWaalsContact O-CG 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.28Å; L17-L21 PolarHBondContact O-N 3.12Å
18L83.5Confident76.3Confident103 Ų103116.9 Ų116.954%0.53958%0.575SS.*Hα-helixtrans-65.2-46.6175.8-164.978.2000111.5K14 L15 L16 V20 L21 L22K14-L18 PolarHBondContact O-N 3.06Å; L15-L18 WeakPolarHBondContact O-CB 3.13Å; L15-L18 PolarHBondContact O-N 3.29Å; L16-L18 VanDerWaalsContact C-N 3.32Å; L16-L18 PolarHBondContact O-N 3.2Å; L18-V20 PolarHBondContact O-N 2.79Å; L18-L21 PolarHBondContact O-N 3.23Å; L18-L22 HydrophobicContact CG-CD1 4.2Å; L18-L22 WeakPolarHBondContact O-CG 3.43Å; L18-L22 PolarHBondContact O-N 3.01Å
19L82.8Confident77Confident98 Ų98115.4 Ų115.451%0.51358%0.576SS.*Hα-helixtrans-60.2-42.3175.5-91.9160.4000112.5L15 L16 L21 L22 T23L15-L19 PolarHBondContact O-N 3.17Å; L16-L19 PolarHBondContact O-N 2.78Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-L21 PolarHBondContact O-N 3.45Å; L19-L22 PolarHBondContact O-N 3.47Å; L19-T23 WeakPolarHBondContact O-CB 3.03Å; L19-T23 WeakPolarHBondContact O-CG2 3.15Å; L19-T23 PolarHBondContact O-N 2.79Å; L19-T23 PolarHBondContact O-OG1 2.75Å
20V87.3Confident77Confident77 Ų77117.4 Ų117.447%0.46758%0.577SS.*Hα-helixtrans-64.4-37.6175.5170.20000111.7L16 L18 T23 S24L16-V20 WeakPolarHBondContact O-CG2 3.15Å; L16-V20 PolarHBondContact O-N 2.96Å; L18-V20 PolarHBondContact O-N 2.79Å; V20-T23 WeakPolarHBondContact CA-OG1 3.39Å; V20-T23 PolarHBondContact O-OG1 2.78Å; V20-S24 WeakPolarHBondContact O-CB 3.42Å; V20-S24 PolarHBondContact O-N 3.14Å; V20-S24 PolarHBondContact O-OG 3.24Å
21L84.1Confident76.8Confident111 Ų111111.4 Ų111.458%0.58156%0.56SS**Hα-helixtrans-70.6-41.2176.1-72.7168.5000112.6L17 L18 L19 S24 A25L17-L21 HydrophobicContact CG-CD1 4.39Å; L17-L21 VanDerWaalsContact O-CG 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.28Å; L17-L21 PolarHBondContact O-N 3.12Å; L18-L21 PolarHBondContact O-N 3.23Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-L21 PolarHBondContact O-N 3.45Å; L21-S24 PolarHBondContact O-N 2.85Å; L21-A25 WeakPolarHBondContact O-CB 3.29Å; L21-A25 PolarHBondContact O-N 3.35Å
22L83.1Confident76.1Confident103 Ų103110.2 Ų110.254%0.53956%0.556SS.*Hα-helixtrans-64.2-49.8176.7-75.7165.7000111.7L18 L19 S24 A25 V26L18-L22 HydrophobicContact CG-CD1 4.2Å; L18-L22 WeakPolarHBondContact O-CG 3.43Å; L18-L22 PolarHBondContact O-N 3.01Å; L19-L22 PolarHBondContact O-N 3.47Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 3.36Å; L22-A25 WeakPolarHBondContact O-CB 3.35Å; L22-A25 PolarHBondContact O-N 3.24Å; L22-A25 VanDerWaalsContact O-N 3.13Å; L22-V26 WeakPolarHBondContact O-CG2 3.27Å; L22-V26 PolarHBondContact O-N 3.27Å
23T80.1Confident75.7Confident87 Ų87110.3 Ų110.353%0.53456%0.56SS.*Hα-helixtrans-62-38.4176.148.80000112.2L19 V20 V26 W27L19-T23 WeakPolarHBondContact O-CB 3.03Å; L19-T23 WeakPolarHBondContact O-CG2 3.15Å; L19-T23 PolarHBondContact O-N 2.79Å; L19-T23 PolarHBondContact O-OG1 2.75Å; V20-T23 WeakPolarHBondContact CA-OG1 3.39Å; V20-T23 PolarHBondContact O-OG1 2.78Å; T23-V26 PolarHBondContact O-N 2.74Å; T23-W27 WeakPolarHBondContact O-CB 3.39Å; T23-W27 PolarHBondContact O-N 2.75Å
24S76.1Confident74.1Confident56 Ų56108.2 Ų108.239%0.39256%0.555SS.*Hα-helixtrans-63.9-38.2172.8-61.10000112.7V20 L21 L22 W27 F28V20-S24 WeakPolarHBondContact O-CB 3.42Å; V20-S24 PolarHBondContact O-N 3.14Å; V20-S24 PolarHBondContact O-OG 3.24Å; L21-S24 PolarHBondContact O-N 2.85Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 3.36Å; S24-W27 PolarHBondContact O-N 3.01Å; S24-F28 WeakPolarHBondContact O-CB 3.48Å; S24-F28 PolarHBondContact O-N 3.27Å
25A77.6Confident72.6Confident55 Ų55107 Ų10746%0.45555%0.552SS.*Hα-helixtrans-67.6-44.3177.800000112L21 L22 W27 F28 T29L21-A25 WeakPolarHBondContact O-CB 3.29Å; L21-A25 PolarHBondContact O-N 3.35Å; L22-A25 WeakPolarHBondContact O-CB 3.35Å; L22-A25 PolarHBondContact O-N 3.24Å; L22-A25 VanDerWaalsContact O-N 3.13Å; A25-W27 VanDerWaalsContact C-N 3.32Å; A25-W27 PolarHBondContact O-N 3.08Å; A25-F28 PolarHBondContact O-N 3.34Å; A25-T29 PolarHBondContact O-N 3.29Å; A25-T29 PolarHBondContact O-OG1 2.88Å
26V81.6Confident70.9Confident102 Ų102104.7 Ų104.762%0.61855%0.554SS**Hα-helixtrans-63.1-38.6174.8174.60000111.3L22 T23 T29 Y30L22-V26 WeakPolarHBondContact O-CG2 3.27Å; L22-V26 PolarHBondContact O-N 3.27Å; T23-V26 PolarHBondContact O-N 2.74Å; V26-T29 PolarHBondContact O-OG1 3.11Å; V26-Y30 WeakPolarHBondContact O-CB 3.31Å; V26-Y30 PolarHBondContact O-N 3.33Å
27W75.3Confident69.1Low170 Ų170109 Ų10964%0.64457%0.568SS**Hα-helixtrans-65.3-39.4174-169-93.6000112.3T23 S24 A25 L31T23-W27 WeakPolarHBondContact O-CB 3.39Å; T23-W27 PolarHBondContact O-N 2.75Å; S24-W27 PolarHBondContact O-N 3.01Å; A25-W27 VanDerWaalsContact C-N 3.32Å; A25-W27 PolarHBondContact O-N 3.08Å; W27-L31 VanDerWaalsContact NE1-CD1 3.28Å; W27-L31 PolarHBondContact O-N 3.17Å
28F71.3Confident66.9Low149 Ų149110.2 Ų110.265%0.65458%0.58SS**Hα-helixtrans-66.8-41.3176.1-105.4-85.6000113S24 A25 L31 H32S24-F28 WeakPolarHBondContact O-CB 3.48Å; S24-F28 PolarHBondContact O-N 3.27Å; A25-F28 PolarHBondContact O-N 3.34Å; F28-L31 PolarHBondContact O-N 3.42Å; F28-H32 WeakPolarHBondContact O-CB 3.27Å; F28-H32 PolarHBondContact O-N 3.44Å
29T68.9Low64.5Low83 Ų83113.1 Ų113.151%0.50960%0.595SS.*Hα-helixtrans-67.4-39.9176.154.10000111.7A25 V26 L31 H32 I33A25-T29 PolarHBondContact O-N 3.29Å; A25-T29 PolarHBondContact O-OG1 2.88Å; V26-T29 PolarHBondContact O-OG1 3.11Å; T29-L31 VanDerWaalsContact C-N 3.35Å; T29-L31 PolarHBondContact O-N 3.02Å; T29-H32 PolarHBondContact O-N 2.89Å; T29-I33 WeakPolarHBondContact O-CG1 3.34Å; T29-I33 PolarHBondContact O-N 3.34Å
30Y69Low62.2Low147 Ų147117.8 Ų117.858%0.57661%0.611SS**Hα-helixtrans-58.8-43173.1-176-100000112.4V26 N34V26-Y30 WeakPolarHBondContact O-CB 3.31Å; V26-Y30 PolarHBondContact O-N 3.33Å; Y30-N34 VanDerWaalsContact CE1-ND2 3.32Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.5Å; Y30-N34 VanDerWaalsContact CZ-ND2 3.28Å; Y30-N34 PolarHBondContact O-N 2.84Å; Y30-N34 VanDerWaalsContact O-N 3.16Å; Y30-N34 PolarHBondContact O-ND2 2.87Å
31L60.6Low59.3Low68 Ų68122 Ų12236%0.35663%0.63SS.*Hα-helixtrans-64.9-41.9174-112.1126.1000112.6W27 F28 T29 I33 N34 Q35W27-L31 VanDerWaalsContact NE1-CD1 3.28Å; W27-L31 PolarHBondContact O-N 3.17Å; F28-L31 PolarHBondContact O-N 3.42Å; T29-L31 VanDerWaalsContact C-N 3.35Å; T29-L31 PolarHBondContact O-N 3.02Å; L31-I33 VanDerWaalsContact C-N 3.32Å; L31-I33 PolarHBondContact O-N 3.12Å; L31-N34 PolarHBondContact O-N 3.33Å; L31-Q35 WeakPolarHBondContact O-CG 3.03Å; L31-Q35 PolarHBondContact O-N 2.82Å
32H53.8Low56.6Low146 Ų146124.3 Ų124.368%0.67664%0.637SS**Hα-helixtrans-65.8-33.3-180-125.3-78.8000113F28 T29F28-H32 WeakPolarHBondContact O-CB 3.27Å; F28-H32 PolarHBondContact O-N 3.44Å; T29-H32 PolarHBondContact O-N 2.89Å
33I59.7Low53.9Low128 Ų128127.9 Ų127.966%0.65665%0.649SS**Hα-helixtrans-70.3-44.6174.7-69.5165.1000110.5T29 L31 Q35 G36T29-I33 WeakPolarHBondContact O-CG1 3.34Å; T29-I33 PolarHBondContact O-N 3.34Å; L31-I33 VanDerWaalsContact C-N 3.32Å; L31-I33 PolarHBondContact O-N 3.12Å; I33-Q35 PolarHBondContact O-N 3.49Å; I33-G36 PolarHBondContact O-N 2.85Å
34N45.9Very low51.4Low103 Ų103129.2 Ų129.255%0.55165%0.653SS**Hα-helixtrans-75.4-17.3-177-78.9-35.6000114.9Y30 L31Y30-N34 VanDerWaalsContact CE1-ND2 3.32Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.5Å; Y30-N34 VanDerWaalsContact CZ-ND2 3.28Å; Y30-N34 PolarHBondContact O-N 2.84Å; Y30-N34 VanDerWaalsContact O-N 3.16Å; Y30-N34 PolarHBondContact O-ND2 2.87Å; L31-N34 PolarHBondContact O-N 3.33Å
35Q43.6Very low49.1Very low142 Ų142136.8 Ų136.866%0.66468%0.675SS**THydrogen-bonded Turntrans-85.4-5172.7-70.7-175.6-9.700113.9L31 I33 K37L31-Q35 WeakPolarHBondContact O-CG 3.03Å; L31-Q35 PolarHBondContact O-N 2.82Å; I33-Q35 PolarHBondContact O-N 3.49Å; Q35-K37 PolarHBondContact O-N 3.39Å
36G41.7Very low46.7Very low60 Ų60137.4 Ų137.462%0.61969%0.686SS**  trans-80.915.4-17000000118.1I33I33-G36 PolarHBondContact O-N 2.85Å
37K42.8Very low44.2Very low198 Ų198140.3 Ų140.386%0.86169%0.691SS**  trans-133.439.1-170.1-76.7-169.7176.4176.70117.3Q35Q35-K37 PolarHBondContact O-N 3.39Å
38T36.9Very low42.2Very low128 Ų128138 Ų13879%0.78569%0.69SS**  trans-141101.2160.551.50000113.2
39I32.8Very low40.2Very low165 Ų165133.6 Ų133.685%0.84669%0.688SS**  trans-157.7131.8151-98.9144.3000107.8
40K34.2Very low38.5Very low196 Ų196137 Ų13785%0.85270%0.698SS**  trans-93.6145.7164.6-75.3-178.6175.2-179.60108.7
41L26.4Very low36.8Very low165 Ų165138.6 Ų138.686%0.86470%0.703SS**  trans-152.7157.1152.4-108157.4000110.2
42H26.8Very low35.3Very low159 Ų159142 Ų14274%0.73672%0.717SS**  trans-127.7-179.5-171-106.1-105.4000109.9
43F26.4Very low34.1Very low179 Ų179140.6 Ų140.679%0.78572%0.719SS**  trans82.5144.8169.5-68.9-100.6000117.2
44N27.9Very low32.7Very low115 Ų115141.8 Ų141.862%0.61573%0.726SS**  cis-174161.5-32.3-118.84.8000113.1
45Y27.8Very low31.9Very low215 Ų215139.9 Ų139.984%0.84373%0.731SS**  trans76.7148.9147.8-103.4-107.5000124
46G26.9Very low31.3Very low68 Ų68139.9 Ų139.970%0.70174%0.741SS**  trans105.2110.417500000113.5
47K29.9Very low30.6Very low163 Ų163144.7 Ų144.771%0.70975%0.752SS**  cis66.8133.130-99-175.1151.5-71.70113.9
48D31.9Very low29.9Very low120 Ų120138.7 Ų138.764%0.64274%0.74SS**  cis-139.21775.6-94.1-66.1000109.9
49G30.2Very low29.4Very low58 Ų58137.3 Ų137.360%0.59874%0.735SS**  cis-163.1166.95.500000111.5
50Q33Very low29.2Very low154 Ų154140.1 Ų140.172%0.7274%0.735SS**  74.313995-71.9-160.3200115.7
51R34.5Very low29Very low181 Ų181138.9 Ų138.968%0.68373%0.73SS**  cis-166.7156.819.6-128.3166-176.3-133.410.3114.8
52Q28.7Very low29.1Very low140 Ų140140.3 Ų140.365%0.65472%0.724SS**  trans68.6154.1147.9-78.9167.6-65.900120.1
53T28.7Very low29.2Very low115 Ų115137.5 Ų137.571%0.70671%0.714SS**  cis-149.5173.510-11.90000113.7
54D30.4Very low29.4Very low153 Ų153134.6 Ų134.682%0.81871%0.711SS**  trans-59174.5175.8-47-86.1000116.1
55G29Very low29.5Very low63 Ų63139.6 Ų139.665%0.64972%0.722SS**  cis157.4179.2-5.200000114.7
56T29.6Very low29.5Very low143 Ų143134 Ų13488%0.87771%0.713SS**  trans67.2114.8159.234.80000124.7
57D27.6Very low29.7Very low160 Ų160136.2 Ų136.286%0.85672%0.719SS**  92.4153.5115.2-152.525.6000124.9
58A27.3Very low29.7Very low72 Ų72133.1 Ų133.160%0.59572%0.723SS**  trans81.486.9146.700000125.1
59S27.3Very low29.5Very low99 Ų99130.7 Ų130.769%0.69273%0.727SS**  65.1142.9111.8-142.60000124.5
60R29.4Very low29.4Very low224 Ų224136.1 Ų136.185%0.84574%0.736SS**  trans74.5154.3159.9-66.8154.1-179.5-176.30.7116
61K29.1Very low29.3Very low171 Ų171136 Ų13674%0.74374%0.735SS**  cis-160.7157.37-132.1178.1-176.5179.70110.7
62R29.4Very low29Very low195 Ų195136 Ų13674%0.73674%0.74SS**  trans31.6152.7131.6-76.3177.2165.2-130.29.9121.6
63D28.1Very low29Very low99 Ų99134.7 Ų134.753%0.52975%0.746SS.*  cis-166.1151.710.2-117.4-27.6000111.8
64T30Very low29Very low118 Ų118137.4 Ų137.472%0.72475%0.751SS**  trans66.7161.6150.662.60000120.5
65R30Very low28.9Very low221 Ų221137.1 Ų137.183%0.83475%0.75SS**  cis-158.5152.98.2-136.7168.9-175168.1-0.6113.4
66S29.5Very low28.9Very low96 Ų96141.4 Ų141.467%0.67176%0.764SS**  trans27.3149.4139.663.50000122.2
67S30Very low28.8Very low116 Ų116139.9 Ų139.981%0.81176%0.759SS**  cis-173.8-178.418.6-112.80000109.7
68A29.4Very low28.9Very low97 Ų97139.5 Ų139.580%0.80276%0.757SS**  cis176.2137.3-39.800000110.9
69G27.8Very low28.9Very low70 Ų70140.5 Ų140.572%0.72276%0.759SS**  trans173.8129.1170.200000109.3
70H29.5Very low29Very low171 Ų171145.6 Ų145.679%0.79276%0.763SS**  67.8128.266.2-8412.4000113.8
71H29.9Very low29Very low151 Ų151141.2 Ų141.270%0.69975%0.753SS**  cis-161.6-179.4-14-132.1-19.1000111.1
72K28.4Very low28.9Very low182 Ų182139.4 Ų139.479%0.79175%0.751SS**  trans-36.9153-179.8-60.3176.1173.6-173.40116.6
73S28.7Very low28.9Very low112 Ų112138.2 Ų138.278%0.78375%0.754SS**  -175.1-170.474.344.90000114.5
74E28.5Very low28.9Very low172 Ų172137.1 Ų137.180%0.80476%0.758SS**  trans-78.1164-159.4-64.5120.4139.200119
75D29.2Very low28.7Very low147 Ų147136.4 Ų136.479%0.78676%0.764SS**  trans30122.2150.6-62.3-4.2000122.1
76T27.8Very low28.7Very low154 Ų154132.7 Ų132.795%0.94576%0.761SS**  -172-175.5112.320.50000111.4
77S29.2Very low28.7Very low110 Ų110136.4 Ų136.477%0.76977%0.773SS**  trans-109.8150-155.9580000117.4
78D28.4Very low28.7Very low153 Ų153138.3 Ų138.382%0.81877%0.77SS**  trans93.3152.1142.8-141.4-7.9000120.3
79S28.3Very low28.8Very low93 Ų93138.6 Ų138.665%0.6576%0.763SS**  trans72.7114.1173.564.90000120.9
80R28.8Very low28.9Very low205 Ų205143.2 Ų143.277%0.77477%0.77SS**  46144.3123.5-56.6-179.8107.8102.221.3119.9
81E29.4Very low29Very low133 Ų133142.1 Ų142.162%0.62177%0.768SS**  cis-174.4157.4-3.7-109.8156.5-176.400105.5
82D27.8Very low28.8Very low133 Ų133137.8 Ų137.871%0.71177%0.765SS**  cis-153.3-142.9-3.2-152.5-40000108.5
83E27.4Very low28.9Very low170 Ų170133 Ų13379%0.79477%0.767SS**  trans76.8109.2179.3-56.6-65.7115.400114.5
84A28.2Very low29.1Very low75 Ų75130.9 Ų130.962%0.6276%0.756SS**  cis83.1127.442.200000114.8
85A27.6Very low30Very low103 Ų103126.6 Ų126.685%0.85174%0.739SS**  trans-157.4102.4169.900000107.6
86D29.8Very low31.1Very low143 Ų143124 Ų12477%0.76573%0.732SS**  trans-76.4156.9-169.9-67-59.1000114.7
87D28.7Very low32.3Very low174 Ų174126 Ų12693%0.9372%0.722SS**  trans-158.656.4145.1-121-15.8000109.9
88E29.5Very low33.6Very low157 Ų157124.6 Ų124.673%0.73471%0.706SS**  trans-79.2141.7172.2-94.7-81.6120.400111.3I90E88-I90 PolarHBondContact O-N 3.07Å
89P31.9Very low35.3Very low103 Ų103120.5 Ų120.567%0.66968%0.682SS**  trans-77.4113.717731.4-32.5000111.5I91P89-I91 PolarHBondContact O-N 3.4Å
90I30.5Very low37.3Very low167 Ų167120.1 Ų120.186%0.85668%0.675SS**  trans-59.9109-174.6-56.3172.6000112.5E88E88-I90 PolarHBondContact O-N 3.07Å
91I30.5Very low39.4Very low147 Ų147116 Ų11675%0.75467%0.665SS**  trans-131.5129.2155.9-59-178000107.1P89P89-I91 PolarHBondContact O-N 3.4Å
92G26.6Very low41.5Very low61 Ų61110.2 Ų110.263%0.62964%0.638SS**  trans-88.3129.3-157.600000116.9A94G92-A94 PolarHBondContact O-N 3.08Å
93G29.6Very low43.9Very low81 Ų81110.3 Ų110.384%0.83563%0.629SS**SBendtrans76.2-54.4139.600000119.2
94A33.1Very low46.4Very low68 Ų68108.8 Ų108.856%0.56262%0.619SS**SBendtrans-83.9-47.9-168.900000113.4G92 S96 R97G92-A94 PolarHBondContact O-N 3.08Å; A94-S96 VanDerWaalsContact C-N 3.25Å; A94-S96 PolarHBondContact O-N 3.24Å; A94-S96 VanDerWaalsContact O-N 3.08Å; A94-R97 PolarHBondContact O-N 3.05Å; A94-R97 VanDerWaalsContact O-N 3.09Å
95D47.9Very low48.9Very low82 Ų82106 Ų10644%0.43959%0.593SS.*Hα-helixtrans-51.9-37.8-168.4-165.1-9.6000113.8R97 D98 Q99D95-R97 VanDerWaalsContact C-N 3.32Å; D95-R97 PolarHBondContact O-N 2.84Å; D95-D98 PolarHBondContact O-N 3.01Å; D95-Q99 VanDerWaalsContact CG-NE2 3.34Å; D95-Q99 WeakPolarHBondContact O-CG 3.36Å; D95-Q99 PolarHBondContact O-N 3.43Å; D95-Q99 WeakPolarHBondContact OD1-CG 3.27Å; D95-Q99 PolarHBondContact OD1-NE2 3.32Å
96S52Low51.6Low91 Ų91101.1 Ų101.164%0.63655%0.553SS**Hα-helixtrans-56.5-39.8180-176.90000113.5A94 T100A94-S96 VanDerWaalsContact C-N 3.25Å; A94-S96 PolarHBondContact O-N 3.24Å; A94-S96 VanDerWaalsContact O-N 3.08Å; S96-T100 WeakPolarHBondContact O-CG2 3.38Å; S96-T100 PolarHBondContact O-N 3.19Å
97R52.6Low54Low197 Ų19797.3 Ų97.374%0.74354%0.537SS*.Hα-helixtrans-70.5-49.4177.8-79.9-174.2171.7-179.2-1.4111.1A94 D95 Q99 T100 H101A94-R97 PolarHBondContact O-N 3.05Å; A94-R97 VanDerWaalsContact O-N 3.09Å; D95-R97 VanDerWaalsContact C-N 3.32Å; D95-R97 PolarHBondContact O-N 2.84Å; R97-Q99 VanDerWaalsContact C-N 3.31Å; R97-Q99 PolarHBondContact O-N 3.44Å; R97-T100 PolarHBondContact O-N 3.29Å; R97-T100 PolarHBondContact O-OG1 3.07Å; R97-H101 PolarHBondContact O-CD2 2.96Å; R97-H101 PolarHBondContact O-N 2.69Å; R97-H101 VanDerWaalsContact O-N 3.13Å
98D57.9Low56.3Low81 Ų8195.6 Ų95.643%0.43352%0.524SS..Hα-helixtrans-61.5-40.1-177.2-71.3-16.1000111.8D95 T100 H101 I102 L308D95-D98 PolarHBondContact O-N 3.01Å; D98-T100 VanDerWaalsContact C-N 3.32Å; D98-T100 PolarHBondContact O-N 3.2Å; D98-H101 PolarHBondContact O-N 2.83Å; D98-H101 VanDerWaalsContact O-N 3.15Å; D98-I102 VanDerWaalsContact O-CG1 3.32Å; D98-I102 WeakPolarHBondContact O-CG1 3.29Å; D98-I102 PolarHBondContact O-N 3.4Å; D98-L308 HydrophobicContact CB-CD1 4.42Å
99Q63.8Low58.6Low67 Ų6793.3 Ų93.331%0.31351%0.511SS..Hα-helixtrans-60.2-36.6173.4-72.2-171.537.900113.4D95 R97 R103D95-Q99 VanDerWaalsContact CG-NE2 3.34Å; D95-Q99 WeakPolarHBondContact O-CG 3.36Å; D95-Q99 PolarHBondContact O-N 3.43Å; D95-Q99 WeakPolarHBondContact OD1-CG 3.27Å; D95-Q99 PolarHBondContact OD1-NE2 3.32Å; R97-Q99 VanDerWaalsContact C-N 3.31Å; R97-Q99 PolarHBondContact O-N 3.44Å; Q99-R103 WeakPolarHBondContact O-CB 3.4Å; Q99-R103 VanDerWaalsContact O-CG 3.26Å; Q99-R103 WeakPolarHBondContact O-CG 3.41Å; Q99-R103 PolarHBondContact O-N 2.86Å
100T70.3Confident60.8Low84 Ų8490.4 Ų90.452%0.51549%0.489SS..Hα-helixtrans-68.8-37.2175.164.10000112.3S96 R97 D98 K104S96-T100 WeakPolarHBondContact O-CG2 3.38Å; S96-T100 PolarHBondContact O-N 3.19Å; R97-T100 PolarHBondContact O-N 3.29Å; R97-T100 PolarHBondContact O-OG1 3.07Å; D98-T100 VanDerWaalsContact C-N 3.32Å; D98-T100 PolarHBondContact O-N 3.2Å; T100-K104 WeakPolarHBondContact O-CB 3.43Å; T100-K104 PolarHBondContact O-N 3.04Å
101H72.1Confident63.2Low119 Ų11987.2 Ų87.255%0.55147%0.469SS*.Hα-helixtrans-66.6-45.1174.8-82.2-110.9000111.7R97 D98 K104 F105R97-H101 PolarHBondContact O-CD2 2.96Å; R97-H101 PolarHBondContact O-N 2.69Å; R97-H101 VanDerWaalsContact O-N 3.13Å; D98-H101 PolarHBondContact O-N 2.83Å; D98-H101 VanDerWaalsContact O-N 3.15Å; H101-K104 PolarHBondContact O-N 3.32Å; H101-F105 PolarHBondContact O-N 3.47Å
102I73.4Confident65.4Low12 Ų1288.4 Ų88.46%0.06247%0.468CS..Hα-helixtrans-60.7-48.9175.1-64.3166000110.2D98 K104 F105 L106 L302 L308D98-I102 VanDerWaalsContact O-CG1 3.32Å; D98-I102 WeakPolarHBondContact O-CG1 3.29Å; D98-I102 PolarHBondContact O-N 3.4Å; I102-K104 VanDerWaalsContact C-N 3.28Å; I102-K104 PolarHBondContact O-N 2.96Å; I102-F105 WeakPolarHBondContact O-CB 3.4Å; I102-F105 PolarHBondContact O-N 2.91Å; I102-F105 VanDerWaalsContact O-N 3.1Å; I102-L106 HydrophobicContact CG2-CD1 3.76Å; I102-L106 HydrophobicContact CG2-CG 3.98Å; I102-L106 WeakPolarHBondContact O-CG 3.19Å; I102-L106 PolarHBondContact O-N 3.48Å; I102-L302 HydrophobicContact CB-CD2 4.45Å; I102-L302 HydrophobicContact CG2-CD2 3.63Å; I102-L308 HydrophobicContact CD1-CD2 4.48Å; I102-L308 HydrophobicContact CD1-CG 4.16Å; I102-L308 HydrophobicContact CG1-CD2 3.53Å; I102-L308 HydrophobicContact CG1-CG 3.74Å
103R77.6Confident68.1Low135 Ų13588 Ų8851%0.50945%0.452SS..Hα-helixtrans-59.3-36.5177.6-72.7178.7-162.9-175.410.8112.8Q99 S107Q99-R103 WeakPolarHBondContact O-CB 3.4Å; Q99-R103 VanDerWaalsContact O-CG 3.26Å; Q99-R103 WeakPolarHBondContact O-CG 3.41Å; Q99-R103 PolarHBondContact O-N 2.86Å; R103-S107 WeakPolarHBondContact O-CB 2.78Å; R103-S107 PolarHBondContact O-N 3.15Å; R103-S107 PolarHBondContact O-OG 3.32Å
104K80Confident70.8Confident138 Ų13891.4 Ų91.460%0.645%0.45SS*.Hα-helixtrans-64.6-43.2173.7-170.5178.9178.9-1770112.3T100 H101 I102 S107 Q108T100-K104 WeakPolarHBondContact O-CB 3.43Å; T100-K104 PolarHBondContact O-N 3.04Å; H101-K104 PolarHBondContact O-N 3.32Å; I102-K104 VanDerWaalsContact C-N 3.28Å; I102-K104 PolarHBondContact O-N 2.96Å; K104-S107 PolarHBondContact O-OG 2.87Å; K104-Q108 WeakPolarHBondContact O-CG 3.48Å; K104-Q108 PolarHBondContact O-N 2.71Å
105F82.3Confident73.6Confident15 Ų1590.3 Ų90.37%0.06643%0.431CS..Hα-helixtrans-64.4-47.5174.1167.7-98.3000112.5H101 I102 S107 Q108 K109 P309 F312H101-F105 PolarHBondContact O-N 3.47Å; I102-F105 WeakPolarHBondContact O-CB 3.4Å; I102-F105 PolarHBondContact O-N 2.91Å; I102-F105 VanDerWaalsContact O-N 3.1Å; F105-S107 PolarHBondContact O-N 2.03Å; F105-Q108 PolarHBondContact O-N 2.91Å; F105-K109 HydrophobicContact CE1-CD 4.45Å; F105-K109 HydrophobicContact CE2-CD 4.2Å; F105-K109 HydrophobicContact CZ-CD 3.92Å; F105-K109 PolarHBondContact O-N 3.07Å; F105-P309 HydrophobicContact CE1-CG 4.12Å; F105-P309 HydrophobicContact CZ-CG 4.06Å; F105-F312 HydrophobicContact CD2-CD2 4.11Å; F105-F312 HydrophobicContact CD2-CE1 4.3Å; F105-F312 AromaticContact CD2-CE2 3.77Å; F105-F312 HydrophobicContact CD2-CE2 3.77Å; F105-F312 AromaticContact CD2-CZ 3.87Å; F105-F312 HydrophobicContact CD2-CZ 3.87Å; F105-F312 HydrophobicContact CE2-CD2 4.03Å; F105-F312 AromaticContact CE2-CE2 3.51Å; F105-F312 HydrophobicContact CE2-CE2 3.51Å; F105-F312 AromaticContact CE2-CZ 3.94Å; F105-F312 HydrophobicContact CE2-CZ 3.94Å
106L83.3Confident75.7Confident1 Ų190.3 Ų90.31%0.00543%0.427CS..Hα-helixtrans-63.1-41.9-179.5-63.9178.8000111.7I102 Q108 K109 Q110 L204 Q300 L302 H305I102-L106 HydrophobicContact CG2-CD1 3.76Å; I102-L106 HydrophobicContact CG2-CG 3.98Å; I102-L106 WeakPolarHBondContact O-CG 3.19Å; I102-L106 PolarHBondContact O-N 3.48Å; L106-Q108 VanDerWaalsContact C-N 3.31Å; L106-Q108 PolarHBondContact O-N 3.49Å; L106-K109 CarbonylContact O-C 3.48Å; L106-K109 PolarHBondContact O-N 3.41Å; L106-K109 VanDerWaalsContact O-N 3.14Å; L106-Q110 PolarHBondContact O-N 2.95Å; L106-Q110 VanDerWaalsContact O-N 3.1Å; L106-L204 HydrophobicContact CB-CD2 3.61Å; L106-Q300 HydrophobicContact CD2-CB 3.75Å; L106-L302 HydrophobicContact CD1-CD2 3.89Å; L106-L302 HydrophobicContact CD1-CG 4.08Å; L106-H305 HydrophobicContact CD2-CB 4.25Å
107S79.8Confident77.6Confident63 Ų6390.8 Ų90.844%0.44143%0.428SS..Hα-helixtrans-64.2-31.3176.355.30000113.7R103 K104 F105 K109 Q110R103-S107 WeakPolarHBondContact O-CB 2.78Å; R103-S107 PolarHBondContact O-N 3.15Å; R103-S107 PolarHBondContact O-OG 3.32Å; K104-S107 PolarHBondContact O-OG 2.87Å; F105-S107 PolarHBondContact O-N 2.03Å; S107-K109 VanDerWaalsContact C-N 3.34Å; S107-Q110 PolarHBondContact O-N 3.35Å
108Q78.1Confident79.5Confident139 Ų13987.7 Ų87.765%0.6542%0.422SS*.Hα-helixtrans-68.1-31.8172.8-73.8175.6-24.500112.9K104 F105 L106K104-Q108 WeakPolarHBondContact O-CG 3.48Å; K104-Q108 PolarHBondContact O-N 2.71Å; F105-Q108 PolarHBondContact O-N 2.91Å; L106-Q108 VanDerWaalsContact C-N 3.31Å; L106-Q108 PolarHBondContact O-N 3.49Å
109K78Confident81.3Confident108 Ų10884.6 Ų84.647%0.4741%0.405SS..THydrogen-bonded Turntrans-89.5-0.1176-65.9-164.1175.2-171.20114F105 L106 S107 K111 Q300F105-K109 HydrophobicContact CE1-CD 4.45Å; F105-K109 HydrophobicContact CE2-CD 4.2Å; F105-K109 HydrophobicContact CZ-CD 3.92Å; F105-K109 PolarHBondContact O-N 3.07Å; L106-K109 CarbonylContact O-C 3.48Å; L106-K109 PolarHBondContact O-N 3.41Å; L106-K109 VanDerWaalsContact O-N 3.14Å; S107-K109 VanDerWaalsContact C-N 3.34Å; K109-K111 PolarHBondContact O-N 3.39Å; K109-Q300 HydrophobicContact CB-CB 4.45Å; K109-Q300 HydrophobicContact CB-CG 3.97Å; K109-Q300 HydrophobicContact CD-CG 4.46Å
110Q78.7Confident82.9Confident42 Ų4286.8 Ų86.820%0.19641%0.413CS..  trans-84.697.7-174.1-174.555.457.400113.2L106 S107 P203 L204 Y284L106-Q110 PolarHBondContact O-N 2.95Å; L106-Q110 VanDerWaalsContact O-N 3.1Å; S107-Q110 PolarHBondContact O-N 3.35Å; Q110-P203 VanDerWaalsContact OE1-CG 3.24Å; Q110-L204 HydrophobicContact CB-CD1 4.09Å; Q110-L204 HydrophobicContact CB-CD2 4.22Å; Q110-L204 HydrophobicContact CB-CG 4.37Å; Q110-L204 HydrophobicContact CG-CD1 4.06Å; Q110-L204 HydrophobicContact CG-CD2 4.4Å; Q110-L204 HydrophobicContact CG-CG 4.13Å; Q110-Y284 PolarHBondContact NE2-OH 2.97Å
111K79.1Confident84.1Confident100 Ų10083.6 Ų83.644%0.43540%0.397SS..  trans-73.5124.4169.4-153.4165.1-171.5169.80110.2K109 L113 D296K109-K111 PolarHBondContact O-N 3.39Å; K111-L113 HydrophobicContact CB-CD2 4.45Å; K111-L113 HydrophobicContact CD-CD2 4.34Å; K111-L113 HydrophobicContact CG-CD2 4.09Å; K111-L113 PolarHBondContact O-N 2.98Å; K111-D296 WeakPolarHBondContact CB-O 3.47Å; K111-D296 HydrophobicContact CD-CB 4.16Å; K111-D296 WeakPolarHBondContact CD-O 3.44Å; K111-D296 IonicContact NZ-OD2 3.62Å; K111-D296 PolarHBondContact NZ-OD2 3.46Å
112K76.6Confident85.2Confident172 Ų17280.8 Ų80.875%0.74838%0.384SS*.  trans-84.7107.6173.9-174.6163.3-173.3158.50110E201K112-E201 IonicContact NZ-OE1 3.75Å; K112-E201 PolarHBondContact NZ-OE1 3.1Å
113L83.9Confident86.4Confident53 Ų5380.2 Ų80.228%0.27738%0.381SS..  trans-90.8151.3179.2-55-179.1000111.7K111 Y284 T285 H297K111-L113 HydrophobicContact CB-CD2 4.45Å; K111-L113 HydrophobicContact CD-CD2 4.34Å; K111-L113 HydrophobicContact CG-CD2 4.09Å; K111-L113 PolarHBondContact O-N 2.98Å; L113-Y284 HydrophobicContact CD1-CD1 4.2Å; L113-Y284 HydrophobicContact CD1-CE1 3.69Å; L113-Y284 HydrophobicContact CG-CE1 4.46Å; L113-T285 HydrophobicContact CD1-CG2 4.04Å; L113-H297 HydrophobicContact CD1-CB 3.94Å
114L86.8Confident87.4Confident153 Ų15373.8 Ų73.880%0.80136%0.357SS*.  trans-88.4108.2174.4-176.664.6000110.3
115W91.8Very high88.2Confident45 Ų4567.8 Ų67.817%0.1733%0.331CS..  trans-70.1143.4171.3179.992.8000111.8P117 Y119 K120 F174 H176 R243 S282 L283W115-P117 HydrophobicContact CZ3-CG 4.31Å; W115-Y119 AromaticContact CD1-CD2 3.66Å; W115-Y119 HydrophobicContact CG-CD2 4.18Å; W115-K120 HydrophobicContact CH2-CG 4.21Å; W115-K120 HydrophobicContact CZ2-CG 3.89Å; W115-F174 HydrophobicContact CB-CE2 4.43Å; W115-F174 AromaticContact CD1-CD2 3.53Å; W115-F174 AromaticContact CD1-CE2 3.6Å; W115-F174 HydrophobicContact CG-CD2 4.43Å; W115-F174 HydrophobicContact CG-CE2 4.29Å; W115-F174 AromaticContact NE1-CD2 3.88Å; W115-H176 AromaticContact CZ2-CE1 3.93Å; W115-R243 VanDerWaalsContact CB-NH1 3.34Å; W115-R243 VanDerWaalsContact CG-NH1 3.3Å; W115-S282 PolarHBondContact NE1-OG 2.96Å; W115-L283 VanDerWaalsContact CD1-O 3.29Å; W115-L283 PolarHBondContact NE1-O 2.99Å
116K92.8Very high88.8Confident81 Ų8167.1 Ų67.135%0.35233%0.328SS..  trans-121.7151.1-178.6-55.5177.4-170.9163.30112.2E118 Y119K116-E118 HydrophobicContact CB-CG 3.86Å; K116-E118 HydrophobicContact CD-CG 3.95Å; K116-E118 WeakPolarHBondContact CD-OE1 3Å; K116-E118 WeakPolarHBondContact CD-OE2 3.46Å; K116-E118 WeakPolarHBondContact CE-OE1 2.97Å; K116-E118 IonicContact NZ-OE1 2.69Å; K116-E118 PolarHBondContact NZ-OE1 3.03Å; K116-E118 PolarHBondContact O-N 3.21Å; K116-Y119 HydrophobicContact CB-CD1 4.26Å; K116-Y119 HydrophobicContact CB-CD2 4.4Å; K116-Y119 HydrophobicContact CB-CE1 4.11Å; K116-Y119 HydrophobicContact CB-CE2 4.26Å; K116-Y119 HydrophobicContact CB-CG 4.38Å; K116-Y119 HydrophobicContact CD-CE1 3.8Å; K116-Y119 WeakPolarHBondContact CE-OH 3.49Å; K116-Y119 HydrophobicContact CG-CE1 4.21Å; K116-Y119 HydrophobicContact CG-CE2 4.24Å; K116-Y119 WeakPolarHBondContact O-CB 3.45Å; K116-Y119 PolarHBondContact O-N 3.22Å; K116-Y119 VanDerWaalsContact O-N 3.1Å
117P90.9Very high89.3Confident101 Ų10167.5 Ų67.566%0.65633%0.331SS*.G310 helixtrans-56.9-31.7175.6-26.435.8000115W115 Y119 K120W115-P117 HydrophobicContact CZ3-CG 4.31Å; P117-Y119 PolarHBondContact O-N 2.92Å; P117-Y119 VanDerWaalsContact O-N 3.13Å; P117-K120 PolarHBondContact O-N 3.16Å
118E93.5Very high89.8Confident132 Ų13264.5 Ų64.562%0.61731%0.31SS*.G310 helixtrans-62.7-14177.871-149.7-143.900114.1K116 K120K116-E118 HydrophobicContact CB-CG 3.86Å; K116-E118 HydrophobicContact CD-CG 3.95Å; K116-E118 WeakPolarHBondContact CD-OE1 3Å; K116-E118 WeakPolarHBondContact CD-OE2 3.46Å; K116-E118 WeakPolarHBondContact CE-OE1 2.97Å; K116-E118 IonicContact NZ-OE1 2.69Å; K116-E118 PolarHBondContact NZ-OE1 3.03Å; K116-E118 PolarHBondContact O-N 3.21Å; E118-K120 VanDerWaalsContact C-N 3.32Å; E118-K120 PolarHBondContact O-N 2.98Å
119Y95.6Very high90.2Very high16 Ų1659.5 Ų59.56%0.06329%0.287CS..G310 helixtrans-79.6-8.5179-64.2-6.6000113.8W115 K116 P117 S282 L283 D286W115-Y119 AromaticContact CD1-CD2 3.66Å; W115-Y119 HydrophobicContact CG-CD2 4.18Å; K116-Y119 HydrophobicContact CB-CD1 4.26Å; K116-Y119 HydrophobicContact CB-CD2 4.4Å; K116-Y119 HydrophobicContact CB-CE1 4.11Å; K116-Y119 HydrophobicContact CB-CE2 4.26Å; K116-Y119 HydrophobicContact CB-CG 4.38Å; K116-Y119 HydrophobicContact CD-CE1 3.8Å; K116-Y119 WeakPolarHBondContact CE-OH 3.49Å; K116-Y119 HydrophobicContact CG-CE1 4.21Å; K116-Y119 HydrophobicContact CG-CE2 4.24Å; K116-Y119 WeakPolarHBondContact O-CB 3.45Å; K116-Y119 PolarHBondContact O-N 3.22Å; K116-Y119 VanDerWaalsContact O-N 3.1Å; P117-Y119 PolarHBondContact O-N 2.92Å; P117-Y119 VanDerWaalsContact O-N 3.13Å; Y119-S282 CarbonylContact O-C 3.47Å; Y119-S282 WeakPolarHBondContact O-CA 3.38Å; Y119-S282 WeakPolarHBondContact O-CB 3.33Å; Y119-L283 HydrophobicContact CD1-CD1 4.29Å; Y119-L283 HydrophobicContact CD2-CB 4.29Å; Y119-L283 HydrophobicContact CG-CB 4.06Å; Y119-L283 HydrophobicContact CG-CD1 4.45Å; Y119-L283 PolarHBondContact O-N 3.4Å; Y119-D286 HydrophobicContact CE1-CB 4.22Å
120K96Very high90Very high113 Ų11356 Ų5649%0.49127%0.273SS..BIsolated β-bridgetrans-67.9138.3177.3-74.4-157.2169.5-151.30111.6W115 P117 E118 H176W115-K120 HydrophobicContact CH2-CG 4.21Å; W115-K120 HydrophobicContact CZ2-CG 3.89Å; P117-K120 PolarHBondContact O-N 3.16Å; E118-K120 VanDerWaalsContact C-N 3.32Å; E118-K120 PolarHBondContact O-N 2.98Å; K120-H176 VanDerWaalsContact CE-CE1 3.44Å; K120-H176 WeakPolarHBondContact CE-CE1 3.36Å; K120-H176 VanDerWaalsContact CE-ND1 3.3Å; K120-H176 WeakPolarHBondContact CE-ND1 3.4Å; K120-H176 PolarHBondContact NZ-ND1 2.95Å
121G95.9Very high90Very high17 Ų1755 Ų5518%0.17527%0.267CS..THydrogen-bonded Turntrans113.3-13.1178.200000115.1S278 I281G121-S278 VanDerWaalsContact CA-O 3.3Å; G121-S278 WeakPolarHBondContact CA-O 3.33Å; G121-S278 WeakPolarHBondContact O-CB 3.32Å; G121-I281 PolarHBondContact N-O 2.92Å
122Q96.3Very high90.3Very high60 Ų6051.4 Ų51.428%0.2825%0.254SS..  trans-140.6163.4-174.4-74.6163.4-85.900111.3T154 V155 K156 S282 L283Q122-T154 PolarHBondContact NE2-OG1 3.39Å; Q122-V155 CarbonylContact C-O 3.47Å; Q122-V155 WeakPolarHBondContact CA-O 3.26Å; Q122-K156 HydrophobicContact CG-CG 3.86Å; Q122-S282 CarbonylContact O-C 3.48Å; Q122-S282 WeakPolarHBondContact O-CA 3.26Å; Q122-S282 PolarHBondContact O-N 2.89Å; Q122-L283 HydrophobicContact CB-CD2 3.65Å; Q122-L283 HydrophobicContact CB-CG 4.12Å; Q122-L283 PolarHBondContact O-N 3.26Å
123A97.7Very high90.6Very high0 Ų044.1 Ų44.10%023%0.228CC..EExtended strand (participates in β ladder)trans-129.9154.1164.800000109.7T154 V155 L158 I171 F246 I281A123-T154 CarbonylContact O-C 3.53Å; A123-T154 WeakPolarHBondContact O-CA 3.34Å; A123-T154 WeakPolarHBondContact O-CB 3.19Å; A123-V155 HydrophobicContact CB-CG2 4.11Å; A123-V155 PolarHBondContact N-O 2.86Å; A123-V155 PolarHBondContact O-N 2.79Å; A123-L158 HydrophobicContact CB-CD2 4.38Å; A123-I171 HydrophobicContact CB-CG2 4.14Å; A123-F246 HydrophobicContact CB-CZ 3.8Å; A123-I281 HydrophobicContact CB-CD1 4.05Å
124N98.1Very high90.6Very high1 Ų142.5 Ų42.51%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-69140.5176.7-64.877.8000109.7I171 F172 L283 Y284 T285 E287N124-I171 CarbonylContact O-C 3.45Å; N124-I171 VanDerWaalsContact O-CA 3.26Å; N124-I171 WeakPolarHBondContact O-CA 3.3Å; N124-I171 WeakPolarHBondContact O-CG2 3.4Å; N124-F172 HydrophobicContact CB-CD1 3.88Å; N124-F172 HydrophobicContact CB-CD2 4.09Å; N124-F172 HydrophobicContact CB-CE1 3.54Å; N124-F172 HydrophobicContact CB-CE2 3.77Å; N124-F172 HydrophobicContact CB-CG 4.14Å; N124-F172 HydrophobicContact CB-CZ 3.47Å; N124-F172 VanDerWaalsContact CB-CZ 3.47Å; N124-F172 WeakPolarHBondContact CB-O 3.3Å; N124-F172 PolarHBondContact N-O 3.29Å; N124-F172 PolarHBondContact O-N 3.46Å; N124-L283 WeakPolarHBondContact OD1-CA 3.38Å; N124-Y284 PolarHBondContact OD1-N 3.08Å; N124-T285 PolarHBondContact ND2-O 2.97Å; N124-T285 PolarHBondContact OD1-O 3.34Å; N124-E287 PolarHBondContact ND2-OE2 3.28Å
125L96.8Very high90.7Very high12 Ų1235.6 Ų35.66%0.06319%0.186CC..EExtended strand (participates in β ladder)trans-129.7121.6171.3165.760.5000109.4V127 T153 V155 L169 I171L125-V127 HydrophobicContact CD1-CG2 4.22Å; L125-V127 HydrophobicContact CD2-CG2 4.18Å; L125-V127 HydrophobicContact CG-CG2 3.97Å; L125-T153 HydrophobicContact CB-CG2 4.01Å; L125-T153 HydrophobicContact CD2-CG2 3.82Å; L125-T153 HydrophobicContact CG-CG2 3.89Å; L125-T153 PolarHBondContact N-O 3.41Å; L125-T153 PolarHBondContact O-N 3.06Å; L125-V155 HydrophobicContact CB-CG1 4.01Å; L125-V155 HydrophobicContact CD2-CG1 3.63Å; L125-V155 HydrophobicContact CG-CG1 4.42Å; L125-L169 HydrophobicContact CD1-CB 3.93Å; L125-L169 HydrophobicContact CD1-CD1 4.47Å; L125-L169 HydrophobicContact CD1-CD2 4.1Å; L125-L169 HydrophobicContact CD1-CG 4.36Å; L125-I171 HydrophobicContact CB-CG1 4.49Å; L125-I171 HydrophobicContact CD1-CG1 3.68Å
126H96Very high90.6Very high0 Ų033.7 Ų33.70%018%0.179CC..EExtended strand (participates in β ladder)trans-103.4129.1167.8-71.4179.4000109.3F128 P149 R170 F172 E287H126-F128 HydrophobicContact CB-CE2 3.87Å; H126-F128 HydrophobicContact CB-CZ 4.35Å; H126-P149 HydrophobicContact CB-CB 3.82Å; H126-P149 HydrophobicContact CB-CG 3.99Å; H126-R170 HydrophobicContact CB-CB 4.19Å; H126-R170 PolarHBondContact N-O 3.47Å; H126-R170 PolarHBondContact O-N 3.22Å; H126-F172 AromaticContact CD2-CE1 3.85Å; H126-F172 AromaticContact CE1-CE1 3.58Å; H126-F172 AromaticContact CE1-CZ 3.64Å; H126-F172 AromaticContact CG-CE1 3.87Å; H126-F172 AromaticContact ND1-CE1 3.71Å; H126-F172 AromaticContact NE2-CE1 3.66Å; H126-F172 AromaticContact NE2-CZ 3.68Å; H126-E287 IonicContact CD2-OE1 2.63Å; H126-E287 IonicContact CD2-OE2 3.71Å; H126-E287 IonicContact CE1-OE1 2.82Å; H126-E287 VanDerWaalsContact NE2-CD 3.29Å; H126-E287 IonicContact NE2-OE1 2.74Å; H126-E287 PolarHBondContact NE2-OE1 3.39Å; H126-E287 IonicContact NE2-OE2 3.64Å; H126-E287 PolarHBondContact NE2-OE2 3.01Å
127V92.8Very high90.3Very high9 Ų932.2 Ų32.26%0.05518%0.182CC..EExtended strand (participates in β ladder)trans-110.5131.1180-1660000109.7L125 E129 P149 H150 T151 W164 L169L125-V127 HydrophobicContact CD1-CG2 4.22Å; L125-V127 HydrophobicContact CD2-CG2 4.18Å; L125-V127 HydrophobicContact CG-CG2 3.97Å; V127-E129 HydrophobicContact CG1-CG 3.75Å; V127-P149 CarbonylContact O-C 3.46Å; V127-P149 WeakPolarHBondContact O-CB 3.35Å; V127-H150 PolarHBondContact O-N 2.91Å; V127-T151 HydrophobicContact CG2-CG2 4.42Å; V127-T151 PolarHBondContact N-O 2.94Å; V127-T151 PolarHBondContact O-N 3.13Å; V127-W164 HydrophobicContact CG1-CE3 4.5Å; V127-W164 HydrophobicContact CG1-CZ3 4.03Å; V127-L169 HydrophobicContact CB-CD2 4.39Å; V127-L169 HydrophobicContact CG1-CD2 3.83Å; V127-L169 HydrophobicContact CG2-CD2 4.23Å
128F91.1Very high90Very high0 Ų030.5 Ų30.50%017%0.165CC..EExtended strand (participates in β ladder)trans-116.199.2175.3-60.8-92.7000107.6H126 L139 F145 P149 Y167 G168 R170H126-F128 HydrophobicContact CB-CE2 3.87Å; H126-F128 HydrophobicContact CB-CZ 4.35Å; F128-L139 HydrophobicContact CB-CD1 4.12Å; F128-L139 HydrophobicContact CG-CD1 4.43Å; F128-F145 HydrophobicContact CD1-CB 4.34Å; F128-F145 HydrophobicContact CD1-CD2 4.24Å; F128-F145 AromaticContact CD2-CD2 3.91Å; F128-F145 HydrophobicContact CD2-CD2 3.91Å; F128-F145 HydrophobicContact CD2-CE2 4.38Å; F128-F145 HydrophobicContact CE1-CB 4.1Å; F128-F145 AromaticContact CE1-CD2 3.95Å; F128-F145 HydrophobicContact CE1-CD2 3.95Å; F128-F145 HydrophobicContact CE1-CG 4.46Å; F128-F145 AromaticContact CE2-CD2 3.6Å; F128-F145 HydrophobicContact CE2-CD2 3.6Å; F128-F145 AromaticContact CE2-CE2 3.93Å; F128-F145 HydrophobicContact CE2-CE2 3.93Å; F128-F145 HydrophobicContact CG-CD2 4.24Å; F128-F145 AromaticContact CZ-CD2 3.62Å; F128-F145 HydrophobicContact CZ-CD2 3.62Å; F128-F145 HydrophobicContact CZ-CE2 4.27Å; F128-F145 HydrophobicContact CZ-CG 4.42Å; F128-P149 HydrophobicContact CD1-CB 4.32Å; F128-P149 HydrophobicContact CE1-CB 3.85Å; F128-P149 HydrophobicContact CE2-CB 4.08Å; F128-P149 HydrophobicContact CZ-CB 3.71Å; F128-P149 HydrophobicContact CZ-CG 4.42Å; F128-Y167 CarbonylContact O-C 3.55Å; F128-Y167 VanDerWaalsContact O-CA 3.25Å; F128-Y167 WeakPolarHBondContact O-CA 3.35Å; F128-G168 PolarHBondContact N-O 2.72Å; F128-G168 PolarHBondContact O-N 2.97Å; F128-R170 HydrophobicContact CE2-CB 4.18Å
129E85.2Confident89.7Confident35 Ų3524.2 Ų24.216%0.16414%0.136CC..  trans-86.5166.9-173.6-57162.2-144.600110.8V127 W131 H150 T151 W164V127-E129 HydrophobicContact CG1-CG 3.75Å; E129-W131 PolarHBondContact O-N 3.29Å; E129-H150 HydrophobicContact CB-CB 4.3Å; E129-H150 HydrophobicContact CG-CB 3.97Å; E129-H150 PolarHBondContact N-CE1 2.84Å; E129-H150 VanDerWaalsContact N-CE1 3.33Å; E129-H150 PolarHBondContact N-ND1 3.37Å; E129-H150 VanDerWaalsContact N-ND1 3.15Å; E129-H150 PolarHBondContact O-CE1 2.92Å; E129-H150 PolarHBondContact O-NE2 3Å; E129-H150 WeakPolarHBondContact OE1-CB 3.33Å; E129-T151 PolarHBondContact OE1-OG1 3.26Å; E129-T151 VanDerWaalsContact OE1-OG1 3.04Å; E129-W164 HydrophobicContact CG-CE3 4.26Å; E129-W164 HydrophobicContact CG-CZ3 3.79Å
130D73.8Confident89.3Confident35 Ų3525.7 Ų25.719%0.18714%0.141CC..SBendtrans50.630.7170.9-82.8-50.5000116.2N166 S1092 A1095D130-N166 CarbonylContact C-O 3.57Å; D130-N166 WeakPolarHBondContact CA-O 3.47Å; D130-N166 PolarHBondContact N-O 2.7Å; D130-S1092 WeakPolarHBondContact OD1-CB 3.24Å; D130-S1092 PolarHBondContact OD1-OG 3.12Å; D130-S1092 WeakPolarHBondContact OD2-CB 3.29Å; D130-S1092 PolarHBondContact OD2-OG 3.3Å; D130-S1092 VanDerWaalsContact OD2-OG 3.14Å; D130-A1095 PolarHBondContact OD2-N 3.42Å; D130-A1095 VanDerWaalsContact OD2-N 3.14Å
131W80.5Confident88.6Confident20 Ų2024.5 Ų24.58%0.07614%0.136CC..  trans-108.6120.8173.8-171-117.9000110.4E129 Q138 K141 N142 N166 K251E129-W131 PolarHBondContact O-N 3.29Å; W131-Q138 PolarHBondContact NE1-O 3.05Å; W131-K141 HydrophobicContact CZ2-CB 4.47Å; W131-N142 HydrophobicContact CD2-CB 3.92Å; W131-N142 HydrophobicContact CE3-CB 4.41Å; W131-N142 HydrophobicContact CG-CB 4.27Å; W131-N142 VanDerWaalsContact CG-ND2 3.33Å; W131-N142 HydrophobicContact CH2-CB 4.46Å; W131-N142 HydrophobicContact CZ2-CB 3.98Å; W131-N166 PolarHBondContact N-O 3.31Å; W131-N166 CarbonylContact O-C 3.54Å; W131-N166 WeakPolarHBondContact O-CA 3.3Å; W131-N166 VanDerWaalsContact O-O 3.09Å; W131-K251 WeakPolarHBondContact O-CE 3.49Å; W131-K251 PolarHBondContact O-NZ 2.76Å
132C84Confident88Confident24 Ų2424.3 Ų24.316%0.16213%0.131CC..  trans-82.7175.5-178-57.50000113.4N166 K251 C1017C132-N166 VanDerWaalsContact SG-CG 3.6Å; C132-K251 WeakPolarHBondContact O-CE 3.36Å; C132-C1017 HydrophobicContact CB-CB 3.7Å; C132-C1017 WeakPolarHBondContact CB-SG 3.17Å; C132-C1017 PolarHBondContact N-SG 2.89Å; C132-C1017 WeakPolarHBondContact SG-CB 3.24Å; C132-C1017 CovalentContact SG-SG 2.02Å; C132-C1017 PolarHBondContact SG-SG 3.07Å
133G83.9Confident87.4Confident19 Ų1925.7 Ų25.720%0.19614%0.14CC..  trans91.2165.5-17100000112.4K251G133-K251 WeakPolarHBondContact O-CE 3.4Å; G133-K251 WeakPolarHBondContact O-CG 3.45Å; G133-K251 PolarHBondContact O-NZ 2.75Å
134S83.6Confident87Confident19 Ų1926 Ų2613%0.13314%0.141CC..SBendtrans-122.1-6.9-168.543.50000113Q138 N192 G216S134-Q138 VanDerWaalsContact N-OE1 3.07Å; S134-N192 WeakPolarHBondContact O-CB 3.17Å; S134-N192 PolarHBondContact O-N 3.23Å; S134-G216 VanDerWaalsContact CB-O 3.22Å; S134-G216 WeakPolarHBondContact CB-O 3.3Å; S134-G216 VanDerWaalsContact OG-C 3.29Å; S134-G216 WeakPolarHBondContact OG-CA 3.49Å; S134-G216 PolarHBondContact OG-O 3.37Å
135S89Confident86.6Confident9 Ų926.8 Ų26.86%0.06315%0.145CC..SBendtrans-102.8147.7179.768.60000113A137 Q138 L139 K251S135-A137 PolarHBondContact O-N 2.89Å; S135-Q138 PolarHBondContact O-N 3.12Å; S135-Q138 VanDerWaalsContact O-N 3.13Å; S135-Q138 VanDerWaalsContact OG-CD 3.29Å; S135-Q138 VanDerWaalsContact OG-CG 3.28Å; S135-Q138 WeakPolarHBondContact OG-CG 3.06Å; S135-Q138 PolarHBondContact OG-N 3.48Å; S135-Q138 VanDerWaalsContact OG-N 3.12Å; S135-Q138 PolarHBondContact OG-OE1 2.76Å; S135-L139 PolarHBondContact O-N 3.12Å; S135-K251 WeakPolarHBondContact O-CG 3.38Å
136V89.8Confident86.4Confident4 Ų426.3 Ų26.32%0.02414%0.143CC..Hα-helixtrans-66.9-25.5171.2-172.30000111Q138 L139 R140 N192 E194 L249V136-Q138 VanDerWaalsContact C-N 3.34Å; V136-Q138 PolarHBondContact O-N 2.87Å; V136-L139 WeakPolarHBondContact O-CB 3.49Å; V136-L139 PolarHBondContact O-N 3.44Å; V136-R140 PolarHBondContact O-N 3.47Å; V136-N192 HydrophobicContact CG2-CB 4.27Å; V136-E194 HydrophobicContact CB-CG 4.46Å; V136-E194 WeakPolarHBondContact CB-OE1 3.04Å; V136-E194 WeakPolarHBondContact CG1-OE1 3.28Å; V136-E194 HydrophobicContact CG2-CG 4.3Å; V136-L249 HydrophobicContact CG1-CB 3.59Å; V136-L249 HydrophobicContact CG1-CD1 4.03Å; V136-L249 HydrophobicContact CG1-CG 4.44Å
137A86Confident86.3Confident50 Ų5028.2 Ų28.241%0.41315%0.153SC..Hα-helixtrans-58.6-41.8169.300000112.3S135 R140S135-A137 PolarHBondContact O-N 2.89Å; A137-R140 PolarHBondContact O-N 2.9Å
138Q83.9Confident86.2Confident65 Ų6529.7 Ų29.730%0.30416%0.157SC..Hα-helixtrans-68.5-34.5173.2-74.5159-49.600112.5W131 S134 S135 V136 R140 K141W131-Q138 PolarHBondContact NE1-O 3.05Å; S134-Q138 VanDerWaalsContact N-OE1 3.07Å; S135-Q138 PolarHBondContact O-N 3.12Å; S135-Q138 VanDerWaalsContact O-N 3.13Å; S135-Q138 VanDerWaalsContact OG-CD 3.29Å; S135-Q138 VanDerWaalsContact OG-CG 3.28Å; S135-Q138 WeakPolarHBondContact OG-CG 3.06Å; S135-Q138 PolarHBondContact OG-N 3.48Å; S135-Q138 VanDerWaalsContact OG-N 3.12Å; S135-Q138 PolarHBondContact OG-OE1 2.76Å; V136-Q138 VanDerWaalsContact C-N 3.34Å; V136-Q138 PolarHBondContact O-N 2.87Å; Q138-R140 VanDerWaalsContact C-N 3.27Å; Q138-R140 PolarHBondContact O-N 3.3Å; Q138-K141 PolarHBondContact O-N 2.94Å; Q138-K141 VanDerWaalsContact O-N 3.08Å
139L87.8Confident86.2Confident0 Ų029.8 Ų29.80%016%0.158CC..Hα-helixtrans-58-41175.2-176.756.3000111.7F128 S135 V136 K141 N142 F145 K251F128-L139 HydrophobicContact CB-CD1 4.12Å; F128-L139 HydrophobicContact CG-CD1 4.43Å; S135-L139 PolarHBondContact O-N 3.12Å; V136-L139 WeakPolarHBondContact O-CB 3.49Å; V136-L139 PolarHBondContact O-N 3.44Å; L139-K141 PolarHBondContact O-N 2.91Å; L139-N142 VanDerWaalsContact O-CB 3.3Å; L139-N142 WeakPolarHBondContact O-CB 3.47Å; L139-N142 PolarHBondContact O-N 3.05Å; L139-N142 VanDerWaalsContact O-N 3.14Å; L139-F145 HydrophobicContact CD1-CD2 4.09Å; L139-F145 HydrophobicContact CD2-CD2 4.27Å; L139-F145 HydrophobicContact CD2-CE2 3.92Å; L139-F145 HydrophobicContact CG-CD2 3.85Å; L139-F145 HydrophobicContact CG-CE2 3.94Å; L139-F145 HydrophobicContact CG-CG 4.39Å; L139-K251 HydrophobicContact CB-CD 4.12Å; L139-K251 HydrophobicContact CD1-CD 4.47Å
140R87.3Confident86.4Confident47 Ų4730.1 Ų30.118%0.17716%0.16CC..THydrogen-bonded Turntrans-67.3-13.8177.2-65.8174.5-178.9107.92.8114.6V136 A137 Q138 F145 E194 L249 A303V136-R140 PolarHBondContact O-N 3.47Å; A137-R140 PolarHBondContact O-N 2.9Å; Q138-R140 VanDerWaalsContact C-N 3.27Å; Q138-R140 PolarHBondContact O-N 3.3Å; R140-F145 HydrophobicContact CG-CD1 4.45Å; R140-F145 HydrophobicContact CG-CE1 4.01Å; R140-E194 IonicContact CZ-OE1 3.5Å; R140-E194 IonicContact CZ-OE2 3.39Å; R140-E194 IonicContact NH1-OE1 2.77Å; R140-E194 PolarHBondContact NH1-OE1 2.92Å; R140-E194 IonicContact NH1-OE2 2.73Å; R140-E194 VanDerWaalsContact NH2-CD 3.29Å; R140-E194 IonicContact NH2-OE1 3.72Å; R140-E194 PolarHBondContact NH2-OE1 3.01Å; R140-E194 VanDerWaalsContact NH2-OE1 3.16Å; R140-E194 IonicContact NH2-OE2 3.16Å; R140-E194 PolarHBondContact NH2-OE2 2.95Å; R140-L249 VanDerWaalsContact NH2-CD1 3.31Å; R140-A303 VanDerWaalsContact CZ-O 3.25Å; R140-A303 PolarHBondContact NE-O 3.14Å; R140-A303 PolarHBondContact NH2-O 2.9Å
141K81.4Confident87.1Confident89 Ų8931 Ų3139%0.38717%0.167SC..THydrogen-bonded Turntrans-88.1-4.9174.1-54.9-170.2-166-172.90113.3W131 Q138 L139 L143 E1023W131-K141 HydrophobicContact CZ2-CB 4.47Å; Q138-K141 PolarHBondContact O-N 2.94Å; Q138-K141 VanDerWaalsContact O-N 3.08Å; L139-K141 PolarHBondContact O-N 2.91Å; K141-L143 PolarHBondContact O-N 2.61Å; K141-E1023 VanDerWaalsContact CD-OE2 3.32Å; K141-E1023 WeakPolarHBondContact CD-OE2 3.34Å; K141-E1023 IonicContact NZ-OE1 2.8Å; K141-E1023 PolarHBondContact NZ-OE1 3Å; K141-E1023 IonicContact NZ-OE2 3.2Å; K141-E1023 PolarHBondContact NZ-OE2 3.49Å
142N83.8Confident87.7Confident13 Ų1332.4 Ų32.47%0.0717%0.172CC..SBendtrans-72.7123175.1-171.8-47000109.9W131 L139 H144 F145W131-N142 HydrophobicContact CD2-CB 3.92Å; W131-N142 HydrophobicContact CE3-CB 4.41Å; W131-N142 HydrophobicContact CG-CB 4.27Å; W131-N142 VanDerWaalsContact CG-ND2 3.33Å; W131-N142 HydrophobicContact CH2-CB 4.46Å; W131-N142 HydrophobicContact CZ2-CB 3.98Å; L139-N142 VanDerWaalsContact O-CB 3.3Å; L139-N142 WeakPolarHBondContact O-CB 3.47Å; L139-N142 PolarHBondContact O-N 3.05Å; L139-N142 VanDerWaalsContact O-N 3.14Å; N142-H144 PolarHBondContact O-N 3.08Å; N142-H144 VanDerWaalsContact O-N 3.07Å; N142-H144 WeakPolarHBondContact OD1-CB 3.45Å; N142-H144 PolarHBondContact OD1-N 2.71Å; N142-F145 HydrophobicContact CB-CB 4.07Å; N142-F145 WeakPolarHBondContact O-CB 3.4Å; N142-F145 PolarHBondContact O-N 2.81Å
143L84.1Confident88.2Confident89 Ų8934.3 Ų34.347%0.46618%0.183SC..THydrogen-bonded Turntrans-53.2-30.5-178.8-173.462.8000113.8K141 Q908 L1089K141-L143 PolarHBondContact O-N 2.61Å; L143-Q908 HydrophobicContact CD2-CG 3.8Å; L143-L1089 HydrophobicContact CD2-CD1 4.04Å
144H87.5Confident88.8Confident5 Ų535.9 Ų35.92%0.02319%0.189CC..THydrogen-bonded Turntrans-85.8-13.2179.4-66.4130.9000114N142 L147 Y148 W905N142-H144 PolarHBondContact O-N 3.08Å; N142-H144 VanDerWaalsContact O-N 3.07Å; N142-H144 WeakPolarHBondContact OD1-CB 3.45Å; N142-H144 PolarHBondContact OD1-N 2.71Å; H144-L147 PolarHBondContact O-N 3.36Å; H144-L147 VanDerWaalsContact O-N 3.12Å; H144-Y148 PolarHBondContact O-N 2.92Å; H144-W905 AromaticContact CE1-CD2 3.61Å; H144-W905 AromaticContact CE1-CE2 3.59Å; H144-W905 AromaticContact CE1-CE3 3.65Å; H144-W905 AromaticContact CE1-CH2 3.71Å; H144-W905 AromaticContact CE1-CZ2 3.68Å; H144-W905 AromaticContact CE1-CZ3 3.67Å; H144-W905 AromaticContact NE2-CE3 3.93Å
145F90.4Very high89.4Confident18 Ų1835.9 Ų35.98%0.07919%0.188CC..THydrogen-bonded Turntrans-83.5134.8-179.7-177.8-87.1000110.8F128 L139 R140 N142 R170 L249F128-F145 HydrophobicContact CD1-CB 4.34Å; F128-F145 HydrophobicContact CD1-CD2 4.24Å; F128-F145 AromaticContact CD2-CD2 3.91Å; F128-F145 HydrophobicContact CD2-CD2 3.91Å; F128-F145 HydrophobicContact CD2-CE2 4.38Å; F128-F145 HydrophobicContact CE1-CB 4.1Å; F128-F145 AromaticContact CE1-CD2 3.95Å; F128-F145 HydrophobicContact CE1-CD2 3.95Å; F128-F145 HydrophobicContact CE1-CG 4.46Å; F128-F145 AromaticContact CE2-CD2 3.6Å; F128-F145 HydrophobicContact CE2-CD2 3.6Å; F128-F145 AromaticContact CE2-CE2 3.93Å; F128-F145 HydrophobicContact CE2-CE2 3.93Å; F128-F145 HydrophobicContact CG-CD2 4.24Å; F128-F145 AromaticContact CZ-CD2 3.62Å; F128-F145 HydrophobicContact CZ-CD2 3.62Å; F128-F145 HydrophobicContact CZ-CE2 4.27Å; F128-F145 HydrophobicContact CZ-CG 4.42Å; L139-F145 HydrophobicContact CD1-CD2 4.09Å; L139-F145 HydrophobicContact CD2-CD2 4.27Å; L139-F145 HydrophobicContact CD2-CE2 3.92Å; L139-F145 HydrophobicContact CG-CD2 3.85Å; L139-F145 HydrophobicContact CG-CE2 3.94Å; L139-F145 HydrophobicContact CG-CG 4.39Å; R140-F145 HydrophobicContact CG-CD1 4.45Å; R140-F145 HydrophobicContact CG-CE1 4.01Å; N142-F145 HydrophobicContact CB-CB 4.07Å; N142-F145 WeakPolarHBondContact O-CB 3.4Å; N142-F145 PolarHBondContact O-N 2.81Å; F145-R170 HydrophobicContact CE2-CB 4.4Å; F145-L249 HydrophobicContact CE2-CD2 4.11Å; F145-L249 HydrophobicContact CZ-CD1 4.47Å; F145-L249 HydrophobicContact CZ-CD2 3.8Å
146P92.9Very high89.7Confident3 Ų342.2 Ų42.22%0.01921%0.214CC..THydrogen-bonded Turncis-97.74.81.440.1-39.2000114.5
147L92.7Very high89.9Confident40 Ų4046.4 Ų46.421%0.20923%0.232CC..THydrogen-bonded Turntrans-86.9-34.2-163.9-64.5174.1000114.8H144 P149 R152 V295 I298 Q300H144-L147 PolarHBondContact O-N 3.36Å; H144-L147 VanDerWaalsContact O-N 3.12Å; L147-P149 WeakPolarHBondContact O-CD 3.39Å; L147-R152 PolarHBondContact O-NH2 2.98Å; L147-R152 VanDerWaalsContact O-NH2 3.15Å; L147-V295 HydrophobicContact CB-CB 4.39Å; L147-V295 HydrophobicContact CB-CG1 4.19Å; L147-V295 HydrophobicContact CD2-CB 4.22Å; L147-V295 WeakPolarHBondContact O-CG1 3.31Å; L147-I298 HydrophobicContact CD2-CB 4.41Å; L147-I298 HydrophobicContact CD2-CG2 4.49Å; L147-I298 WeakPolarHBondContact O-CD1 3.37Å; L147-Q300 VanDerWaalsContact CD2-NE2 3.26Å
148Y91.9Very high90.5Very high39 Ų3944 Ų4415%0.15321%0.212CC..  trans-119.359.3-167.6-56.7-65.7000112.2H144 M292 V295 R904 Q907H144-Y148 PolarHBondContact O-N 2.92Å; Y148-M292 HydrophobicContact CD1-CE 3.88Å; Y148-M292 HydrophobicContact CD1-SD 4.16Å; Y148-M292 HydrophobicContact CE1-CE 4.06Å; Y148-V295 HydrophobicContact CD1-CG1 3.8Å; Y148-V295 HydrophobicContact CE1-CG1 3.51Å; Y148-R904 WeakPolarHBondContact O-CD 3.33Å; Y148-Q907 HydrophobicContact CE1-CG 3.89Å
149P91.6Very high91Very high3 Ų342.7 Ų42.72%0.01921%0.213CC..  trans-61.6155.3175.129.9-36.3000111.6H126 V127 F128 L147 R152H126-P149 HydrophobicContact CB-CB 3.82Å; H126-P149 HydrophobicContact CB-CG 3.99Å; V127-P149 CarbonylContact O-C 3.46Å; V127-P149 WeakPolarHBondContact O-CB 3.35Å; F128-P149 HydrophobicContact CD1-CB 4.32Å; F128-P149 HydrophobicContact CE1-CB 3.85Å; F128-P149 HydrophobicContact CE2-CB 4.08Å; F128-P149 HydrophobicContact CZ-CB 3.71Å; F128-P149 HydrophobicContact CZ-CG 4.42Å; L147-P149 WeakPolarHBondContact O-CD 3.39Å; P149-R152 HydrophobicContact CG-CG 3.67Å
150H87.9Confident91.3Very high41 Ų4144 Ų4419%0.1922%0.22CC..SBendtrans-66.2-50.8173.8-66.461.8000109.9V127 E129 R904V127-H150 PolarHBondContact O-N 2.91Å; E129-H150 HydrophobicContact CB-CB 4.3Å; E129-H150 HydrophobicContact CG-CB 3.97Å; E129-H150 PolarHBondContact N-CE1 2.84Å; E129-H150 VanDerWaalsContact N-CE1 3.33Å; E129-H150 PolarHBondContact N-ND1 3.37Å; E129-H150 VanDerWaalsContact N-ND1 3.15Å; E129-H150 PolarHBondContact O-CE1 2.92Å; E129-H150 PolarHBondContact O-NE2 3Å; E129-H150 WeakPolarHBondContact OE1-CB 3.33Å; H150-R904 VanDerWaalsContact CD2-CZ 3.42Å; H150-R904 PolarHBondContact CD2-NH1 3.47Å; H150-R904 PolarHBondContact CD2-NH2 3.13Å; H150-R904 PolarHBondContact CE1-NH1 3.49Å; H150-R904 PolarHBondContact ND1-NH1 2.95Å; H150-R904 PolarHBondContact NE2-NH1 2.99Å
151T89.2Confident91.4Very high55 Ų5544.4 Ų44.434%0.33723%0.234SC..EExtended strand (participates in β ladder)trans-121.4130.1179.8-620000110.7V127 E129 T153V127-T151 HydrophobicContact CG2-CG2 4.42Å; V127-T151 PolarHBondContact N-O 2.94Å; V127-T151 PolarHBondContact O-N 3.13Å; E129-T151 PolarHBondContact OE1-OG1 3.26Å; E129-T151 VanDerWaalsContact OE1-OG1 3.04Å; T151-T153 HydrophobicContact CG2-CG2 4.11Å
152R92.6Very high91.5Very high49 Ų4941.9 Ų41.919%0.18523%0.227CC..EExtended strand (participates in β ladder)trans-104.3121.9165-63.2180-179.5149.13.2108.6L147 P149 E287 K291 M292 S294L147-R152 PolarHBondContact O-NH2 2.98Å; L147-R152 VanDerWaalsContact O-NH2 3.15Å; P149-R152 HydrophobicContact CG-CG 3.67Å; R152-E287 WeakPolarHBondContact CD-OE1 3.33Å; R152-E287 IonicContact NE-OE1 3.02Å; R152-K291 PolarHBondContact NH1-O 3.07Å; R152-M292 PolarHBondContact NH1-O 2.84Å; R152-M292 PolarHBondContact NH2-O 3.06Å; R152-S294 PolarHBondContact NH1-O 3.43Å; R152-S294 PolarHBondContact NH2-O 3.19Å
153T93.9Very high91.4Very high63 Ų6349.9 Ų49.939%0.38726%0.261SS..EExtended strand (participates in β ladder)trans-152.9-167.1-175.5-1690000110.8L125 T151L125-T153 HydrophobicContact CB-CG2 4.01Å; L125-T153 HydrophobicContact CD2-CG2 3.82Å; L125-T153 HydrophobicContact CG-CG2 3.89Å; L125-T153 PolarHBondContact N-O 3.41Å; L125-T153 PolarHBondContact O-N 3.06Å; T151-T153 HydrophobicContact CG2-CG2 4.11Å
154T96.8Very high91.2Very high53 Ų5351.6 Ų51.633%0.32526%0.261SS..EExtended strand (participates in β ladder)trans-138152.4-178.564.60000112.5Q122 A123 L283Q122-T154 PolarHBondContact NE2-OG1 3.39Å; A123-T154 CarbonylContact O-C 3.53Å; A123-T154 WeakPolarHBondContact O-CA 3.34Å; A123-T154 WeakPolarHBondContact O-CB 3.19Å; T154-L283 HydrophobicContact CG2-CD2 3.63Å
155V96.5Very high91.1Very high18 Ų1857 Ų5711%0.10929%0.285CS..EExtended strand (participates in β ladder)trans-120.9145.5175.6-64.90000111Q122 A123 L125 V160 I171Q122-V155 CarbonylContact C-O 3.47Å; Q122-V155 WeakPolarHBondContact CA-O 3.26Å; A123-V155 HydrophobicContact CB-CG2 4.11Å; A123-V155 PolarHBondContact N-O 2.86Å; A123-V155 PolarHBondContact O-N 2.79Å; L125-V155 HydrophobicContact CB-CG1 4.01Å; L125-V155 HydrophobicContact CD2-CG1 3.63Å; L125-V155 HydrophobicContact CG-CG1 4.42Å; V155-V160 HydrophobicContact CB-CG2 4.49Å; V155-V160 HydrophobicContact CG1-CG2 3.85Å; V155-I171 HydrophobicContact CG2-CG2 3.71Å
156K95.4Very high90.9Very high142 Ų14257.6 Ų57.662%0.61729%0.289SS*.SBendtrans-97.13.6178-66.9-175.3177.2-178.30113.7Q122 S278Q122-K156 HydrophobicContact CG-CG 3.86Å; K156-S278 WeakPolarHBondContact O-CA 3.47Å; K156-S278 WeakPolarHBondContact O-CB 3.33Å; K156-S278 PolarHBondContact O-N 2.79Å
157K95.3Very high90.7Very high92 Ų9257.5 Ų57.540%0.429%0.288SS..BIsolated β-bridgetrans-159.4147.1-178.5-172.4169.6-178.9172.80109A159 V275 I276 D277K157-A159 HydrophobicContact CD-CB 4.41Å; K157-A159 HydrophobicContact CG-CB 4.28Å; K157-A159 PolarHBondContact O-N 3.19Å; K157-V275 HydrophobicContact CD-CG1 4.3Å; K157-V275 VanDerWaalsContact CE-CB 3.45Å; K157-V275 HydrophobicContact CG-CG1 4.07Å; K157-I276 WeakPolarHBondContact CG-O 3.1Å; K157-D277 HydrophobicContact CB-CB 4.48Å; K157-D277 HydrophobicContact CD-CB 4.3Å; K157-D277 HydrophobicContact CG-CB 4.07Å
158L97.4Very high90.7Very high1 Ų155.6 Ų55.61%0.00528%0.278CS..SBendtrans-82.656.2172.9-52.4-171.5000110A123 I171 F246 I248 E261 V262 V275 I276 I281A123-L158 HydrophobicContact CB-CD2 4.38Å; L158-I171 HydrophobicContact CD2-CG2 3.99Å; L158-F246 HydrophobicContact CD1-CD2 4.34Å; L158-F246 HydrophobicContact CD1-CE2 3.84Å; L158-F246 HydrophobicContact CD1-CZ 4.01Å; L158-F246 HydrophobicContact CD2-CE2 3.74Å; L158-F246 HydrophobicContact CD2-CZ 3.75Å; L158-F246 HydrophobicContact CG-CE2 4.49Å; L158-I248 HydrophobicContact CB-CD1 4.1Å; L158-I248 HydrophobicContact CD1-CD1 4.19Å; L158-I248 HydrophobicContact CD2-CD1 4.08Å; L158-I248 HydrophobicContact CG-CD1 4.34Å; L158-E261 CarbonylContact O-C 3.58Å; L158-E261 WeakPolarHBondContact O-CA 3.39Å; L158-E261 WeakPolarHBondContact O-CB 3.34Å; L158-V262 HydrophobicContact CB-CB 4.2Å; L158-V262 PolarHBondContact O-N 3.23Å; L158-V275 WeakPolarHBondContact O-CG1 3.34Å; L158-I276 HydrophobicContact CB-CB 4.33Å; L158-I276 HydrophobicContact CD1-CB 3.96Å; L158-I276 HydrophobicContact CD1-CD1 4.16Å; L158-I276 HydrophobicContact CD1-CG2 3.99Å; L158-I276 HydrophobicContact CG-CB 4.17Å; L158-I276 HydrophobicContact CG-CG2 4.32Å; L158-I276 PolarHBondContact N-O 3.08Å; L158-I281 HydrophobicContact CD1-CG2 4.2Å; L158-I281 HydrophobicContact CD2-CD1 4.35Å; L158-I281 HydrophobicContact CD2-CG2 4.35Å; L158-I281 HydrophobicContact CG-CG2 4.21Å
159A95.4Very high90.8Very high37 Ų3753.9 Ų53.931%0.30627%0.271SS..EExtended strand (participates in β ladder)trans-149.7120.3168.200000108.5K157 V260 E261 V275K157-A159 HydrophobicContact CD-CB 4.41Å; K157-A159 HydrophobicContact CG-CB 4.28Å; K157-A159 PolarHBondContact O-N 3.19Å; A159-V260 CarbonylContact C-O 3.51Å; A159-V260 VanDerWaalsContact CA-O 3.3Å; A159-V260 WeakPolarHBondContact CA-O 3.47Å; A159-E261 HydrophobicContact CB-CB 3.65Å; A159-V275 HydrophobicContact CB-CG1 3.86Å
160V93.1Very high91.1Very high26 Ų2653.7 Ų53.716%0.15827%0.27CS..EExtended strand (participates in β ladder)trans-138.1136.8-174.2-168.50000109.4V155 P162 L169 I171 H259 V260V155-V160 HydrophobicContact CB-CG2 4.49Å; V155-V160 HydrophobicContact CG1-CG2 3.85Å; V160-P162 HydrophobicContact CG1-CG 4.2Å; V160-L169 HydrophobicContact CB-CD1 4.21Å; V160-L169 HydrophobicContact CG1-CD1 3.98Å; V160-I171 HydrophobicContact CG2-CD1 3.66Å; V160-H259 CarbonylContact O-C 3.53Å; V160-H259 VanDerWaalsContact O-CA 3.24Å; V160-H259 WeakPolarHBondContact O-CA 3.46Å; V160-V260 PolarHBondContact N-O 3.19Å; V160-V260 PolarHBondContact O-N 3.36Å
161A90.1Very high91.6Very high56 Ų5651.9 Ų51.946%0.46326%0.262SS..  trans-145.786.7176.900000108.6K163 D258 H259A161-K163 PolarHBondContact O-N 3.36Å; A161-D258 WeakPolarHBondContact CA-O 3.4Å; A161-D258 WeakPolarHBondContact CB-O 3.39Å; A161-H259 HydrophobicContact CB-CB 4.15Å
162P82.3Confident92Very high37 Ų3749.2 Ų49.224%0.2425%0.246CC..  trans-62.2-22.5-173.9-25.236.1000115.4V160 W164 Y167 L169 D258V160-P162 HydrophobicContact CG1-CG 4.2Å; P162-W164 HydrophobicContact CB-CB 4Å; P162-W164 HydrophobicContact CB-CD2 3.9Å; P162-W164 HydrophobicContact CB-CE3 4.28Å; P162-W164 HydrophobicContact CB-CG 3.78Å; P162-Y167 HydrophobicContact CB-CE1 4.35Å; P162-Y167 HydrophobicContact CG-CE1 4.02Å; P162-Y167 HydrophobicContact CG-CE2 4.47Å; P162-L169 HydrophobicContact CG-CD1 4.33Å; P162-D258 VanDerWaalsContact CD-OD2 3.27Å; P162-D258 WeakPolarHBondContact CD-OD2 3.48Å
163K82.6Confident92.3Very high181 Ų18146.9 Ų46.979%0.78724%0.237SC*.SBendtrans68.533.2-166.6-56.3-174.1-179.4179.70113.2A161 D258A161-K163 PolarHBondContact O-N 3.36Å; K163-D258 WeakPolarHBondContact CA-OD1 3.34Å; K163-D258 WeakPolarHBondContact CA-OD2 3.43Å; K163-D258 PolarHBondContact N-OD1 3.48Å; K163-D258 PolarHBondContact N-OD2 2.92Å
164W80.8Confident92.5Very high124 Ų12444.4 Ų44.447%0.4722%0.221SC..  trans-116.4178.8-173.7-65.7-1.4000111.3V127 E129 P162 Y167 D258V127-W164 HydrophobicContact CG1-CE3 4.5Å; V127-W164 HydrophobicContact CG1-CZ3 4.03Å; E129-W164 HydrophobicContact CG-CE3 4.26Å; E129-W164 HydrophobicContact CG-CZ3 3.79Å; P162-W164 HydrophobicContact CB-CB 4Å; P162-W164 HydrophobicContact CB-CD2 3.9Å; P162-W164 HydrophobicContact CB-CE3 4.28Å; P162-W164 HydrophobicContact CB-CG 3.78Å; W164-Y167 HydrophobicContact CB-CD1 3.64Å; W164-Y167 HydrophobicContact CB-CE1 4Å; W164-D258 PolarHBondContact N-OD2 2.95Å
165K84.1Confident92.6Very high120 Ų12041.9 Ų41.952%0.52221%0.205SC..SBendtrans-140.3156.4-178.8-72.9-172.7164.6-162.60110Y167 D253 D254K165-Y167 VanDerWaalsContact C-N 3.33Å; K165-Y167 PolarHBondContact O-N 2.81Å; K165-D253 WeakPolarHBondContact CA-O 3.37Å; K165-D254 WeakPolarHBondContact CD-O 3.24Å; K165-D254 VanDerWaalsContact CE-O 3.26Å; K165-D254 WeakPolarHBondContact CE-O 3.39Å; K165-D254 PolarHBondContact NZ-O 2.55Å
166N85.9Confident92.6Very high30 Ų3041.9 Ų41.916%0.1620%0.204CC..SBendtrans4951.6-179-71.1-40.1000112.7D130 W131 C132 Q252 D253 D254D130-N166 CarbonylContact C-O 3.57Å; D130-N166 WeakPolarHBondContact CA-O 3.47Å; D130-N166 PolarHBondContact N-O 2.7Å; W131-N166 PolarHBondContact N-O 3.31Å; W131-N166 CarbonylContact O-C 3.54Å; W131-N166 WeakPolarHBondContact O-CA 3.3Å; W131-N166 VanDerWaalsContact O-O 3.09Å; C132-N166 VanDerWaalsContact SG-CG 3.6Å; N166-Q252 VanDerWaalsContact CA-O 3.23Å; N166-Q252 WeakPolarHBondContact CA-O 3.46Å; N166-Q252 PolarHBondContact N-O 3.39Å; N166-D253 PolarHBondContact N-O 2.84Å; N166-D254 PolarHBondContact OD1-N 3.27Å
167Y88.9Confident92.6Very high1 Ų135.4 Ų35.40%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-120.2165.6176.271.2-108000111.6F128 P162 W164 K165 L169 H250 K251 Q252 D258F128-Y167 CarbonylContact O-C 3.55Å; F128-Y167 VanDerWaalsContact O-CA 3.25Å; F128-Y167 WeakPolarHBondContact O-CA 3.35Å; P162-Y167 HydrophobicContact CB-CE1 4.35Å; P162-Y167 HydrophobicContact CG-CE1 4.02Å; P162-Y167 HydrophobicContact CG-CE2 4.47Å; W164-Y167 HydrophobicContact CB-CD1 3.64Å; W164-Y167 HydrophobicContact CB-CE1 4Å; K165-Y167 VanDerWaalsContact C-N 3.33Å; K165-Y167 PolarHBondContact O-N 2.81Å; Y167-L169 HydrophobicContact CD2-CD2 3.7Å; Y167-L169 HydrophobicContact CD2-CG 3.76Å; Y167-L169 HydrophobicContact CE2-CD1 3.96Å; Y167-L169 HydrophobicContact CE2-CD2 3.92Å; Y167-L169 HydrophobicContact CE2-CG 3.58Å; Y167-H250 AromaticContact CE2-CD2 3.61Å; Y167-H250 AromaticContact CE2-NE2 3.37Å; Y167-H250 WeakPolarHBondContact CE2-NE2 3.21Å; Y167-H250 AromaticContact CZ-NE2 3.53Å; Y167-H250 PolarHBondContact OH-NE2 2.8Å; Y167-K251 WeakPolarHBondContact O-CD 3.39Å; Y167-K251 PolarHBondContact O-NZ 3.35Å; Y167-Q252 HydrophobicContact CD1-CB 3.91Å; Y167-Q252 HydrophobicContact CD1-CG 4.28Å; Y167-Q252 HydrophobicContact CD2-CB 4.07Å; Y167-Q252 HydrophobicContact CE1-CB 3.58Å; Y167-Q252 HydrophobicContact CE1-CG 3.74Å; Y167-Q252 HydrophobicContact CE2-CB 3.66Å; Y167-Q252 HydrophobicContact CG-CB 4.15Å; Y167-Q252 VanDerWaalsContact CZ-CB 3.42Å; Y167-Q252 PolarHBondContact N-O 2.9Å; Y167-Q252 VanDerWaalsContact N-O 3.16Å; Y167-Q252 PolarHBondContact O-N 2.95Å; Y167-D258 HydrophobicContact CE1-CB 4.06Å; Y167-D258 WeakPolarHBondContact OH-CB 3.28Å
168G93.1Very high92.6Very high0 Ų035.3 Ų35.30%017%0.174CC..EExtended strand (participates in β ladder)trans-128.5143.6159.400000111.1F128 H250F128-G168 PolarHBondContact N-O 2.72Å; F128-G168 PolarHBondContact O-N 2.97Å; G168-H250 CarbonylContact C-O 3.5Å; G168-H250 WeakPolarHBondContact CA-O 3.06Å
169L94.8Very high92.5Very high2 Ų239 Ų391%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-114.4143.9174.6-52.2-176.9000110.4L125 V127 V160 P162 Y167 L249 H250 V260L125-L169 HydrophobicContact CD1-CB 3.93Å; L125-L169 HydrophobicContact CD1-CD1 4.47Å; L125-L169 HydrophobicContact CD1-CD2 4.1Å; L125-L169 HydrophobicContact CD1-CG 4.36Å; V127-L169 HydrophobicContact CB-CD2 4.39Å; V127-L169 HydrophobicContact CG1-CD2 3.83Å; V127-L169 HydrophobicContact CG2-CD2 4.23Å; V160-L169 HydrophobicContact CB-CD1 4.21Å; V160-L169 HydrophobicContact CG1-CD1 3.98Å; P162-L169 HydrophobicContact CG-CD1 4.33Å; Y167-L169 HydrophobicContact CD2-CD2 3.7Å; Y167-L169 HydrophobicContact CD2-CG 3.76Å; Y167-L169 HydrophobicContact CE2-CD1 3.96Å; Y167-L169 HydrophobicContact CE2-CD2 3.92Å; Y167-L169 HydrophobicContact CE2-CG 3.58Å; L169-L249 WeakPolarHBondContact O-CA 2.83Å; L169-H250 PolarHBondContact N-O 2.93Å; L169-H250 PolarHBondContact O-N 2.86Å; L169-H250 VanDerWaalsContact O-N 3.12Å; L169-V260 HydrophobicContact CD1-CG1 4.15Å
170R97.4Very high92.5Very high0 Ų041.7 Ų41.70%020%0.199CC..EExtended strand (participates in β ladder)trans-126.2107.1166176.8-180-164.1-135.4-2.3108.9H126 F128 F145 F172 E247 I248 L249 P299 T301 S304H126-R170 HydrophobicContact CB-CB 4.19Å; H126-R170 PolarHBondContact N-O 3.47Å; H126-R170 PolarHBondContact O-N 3.22Å; F128-R170 HydrophobicContact CE2-CB 4.18Å; F145-R170 HydrophobicContact CE2-CB 4.4Å; R170-F172 HydrophobicContact CG-CD1 4.17Å; R170-E247 HydrophobicContact CG-CG 4.37Å; R170-E247 IonicContact CZ-OE1 2.83Å; R170-E247 VanDerWaalsContact CZ-OE1 3.24Å; R170-E247 IonicContact CZ-OE2 3.18Å; R170-E247 IonicContact NE-OE1 2.75Å; R170-E247 PolarHBondContact NE-OE1 2.71Å; R170-E247 IonicContact NE-OE2 2.71Å; R170-E247 IonicContact NH2-OE1 2.7Å; R170-E247 PolarHBondContact NH2-OE1 3.09Å; R170-E247 IonicContact NH2-OE2 3.24Å; R170-E247 PolarHBondContact NH2-OE2 2.89Å; R170-I248 WeakPolarHBondContact CA-O 3.3Å; R170-L249 HydrophobicContact CB-CD2 3.75Å; R170-L249 HydrophobicContact CG-CD2 3.67Å; R170-P299 PolarHBondContact NH1-O 3.05Å; R170-P299 PolarHBondContact NH2-O 1.96Å; R170-T301 PolarHBondContact NH2-OG1 3.49Å; R170-S304 VanDerWaalsContact CZ-OG 3.29Å; R170-S304 PolarHBondContact NE-OG 2.86Å; R170-S304 PolarHBondContact NH2-OG 2.88Å; R170-S304 VanDerWaalsContact NH2-OG 3.13Å
171I98.3Very high92.7Very high2 Ų241.5 Ų41.51%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-106126178.3-53.4163000108.2A123 N124 L125 V155 L158 V160 F246 E247 I248 V260A123-I171 HydrophobicContact CB-CG2 4.14Å; N124-I171 CarbonylContact O-C 3.45Å; N124-I171 VanDerWaalsContact O-CA 3.26Å; N124-I171 WeakPolarHBondContact O-CA 3.3Å; N124-I171 WeakPolarHBondContact O-CG2 3.4Å; L125-I171 HydrophobicContact CB-CG1 4.49Å; L125-I171 HydrophobicContact CD1-CG1 3.68Å; V155-I171 HydrophobicContact CG2-CG2 3.71Å; L158-I171 HydrophobicContact CD2-CG2 3.99Å; V160-I171 HydrophobicContact CG2-CD1 3.66Å; I171-F246 HydrophobicContact CG2-CE2 4.31Å; I171-E247 CarbonylContact O-C 3.57Å; I171-E247 WeakPolarHBondContact O-CA 3.42Å; I171-I248 HydrophobicContact CB-CB 4.16Å; I171-I248 HydrophobicContact CB-CD1 4.19Å; I171-I248 HydrophobicContact CD1-CD1 4.16Å; I171-I248 HydrophobicContact CG2-CD1 4.39Å; I171-I248 PolarHBondContact N-O 2.87Å; I171-I248 PolarHBondContact O-N 3.11Å; I171-V260 HydrophobicContact CD1-CG1 4.47Å
172F98.2Very high93Very high0 Ų042.2 Ų42.20%020%0.198CC..EExtended strand (participates in β ladder)trans-145.5159.2-176.364.2-78.5000113N124 H126 R170 Y245 F246 E247 Y284 P299N124-F172 HydrophobicContact CB-CD1 3.88Å; N124-F172 HydrophobicContact CB-CD2 4.09Å; N124-F172 HydrophobicContact CB-CE1 3.54Å; N124-F172 HydrophobicContact CB-CE2 3.77Å; N124-F172 HydrophobicContact CB-CG 4.14Å; N124-F172 HydrophobicContact CB-CZ 3.47Å; N124-F172 VanDerWaalsContact CB-CZ 3.47Å; N124-F172 WeakPolarHBondContact CB-O 3.3Å; N124-F172 PolarHBondContact N-O 3.29Å; N124-F172 PolarHBondContact O-N 3.46Å; H126-F172 AromaticContact CD2-CE1 3.85Å; H126-F172 AromaticContact CE1-CE1 3.58Å; H126-F172 AromaticContact CE1-CZ 3.64Å; H126-F172 AromaticContact CG-CE1 3.87Å; H126-F172 AromaticContact ND1-CE1 3.71Å; H126-F172 AromaticContact NE2-CE1 3.66Å; H126-F172 AromaticContact NE2-CZ 3.68Å; R170-F172 HydrophobicContact CG-CD1 4.17Å; F172-Y245 HydrophobicContact CB-CE2 4.36Å; F172-Y245 HydrophobicContact CD2-CE2 4.35Å; F172-F246 WeakPolarHBondContact CA-O 3.3Å; F172-F246 WeakPolarHBondContact CB-O 3.28Å; F172-E247 HydrophobicContact CB-CB 4.42Å; F172-E247 HydrophobicContact CB-CG 4.31Å; F172-Y284 HydrophobicContact CD2-CD1 4.43Å; F172-Y284 HydrophobicContact CD2-CG 4.16Å; F172-Y284 AromaticContact CE2-CD1 4Å; F172-Y284 HydrophobicContact CE2-CD1 4Å; F172-Y284 HydrophobicContact CE2-CG 4.13Å; F172-P299 HydrophobicContact CD2-CG 3.72Å; F172-P299 HydrophobicContact CE2-CG 3.74Å
173G97.7Very high93.7Very high0 Ų040.4 Ų40.40%019%0.187CC..EExtended strand (participates in β ladder)trans164.4-155.7-176.300000112.3Y245 F246 S282G173-Y245 WeakPolarHBondContact O-CA 3.03Å; G173-F246 PolarHBondContact N-O 3.46Å; G173-F246 WeakPolarHBondContact O-CD1 3.47Å; G173-F246 PolarHBondContact O-N 3.01Å; G173-S282 WeakPolarHBondContact CA-O 3.43Å
174F98.3Very high94.4Very high11 Ų1133 Ų335%0.04816%0.155CC..EExtended strand (participates in β ladder)trans-116.9135.4173.1-57.5-76.8000111.9W115 H176 E201 R243 Y244 Y245 I281 S282 L283 Y284W115-F174 HydrophobicContact CB-CE2 4.43Å; W115-F174 AromaticContact CD1-CD2 3.53Å; W115-F174 AromaticContact CD1-CE2 3.6Å; W115-F174 HydrophobicContact CG-CD2 4.43Å; W115-F174 HydrophobicContact CG-CE2 4.29Å; W115-F174 AromaticContact NE1-CD2 3.88Å; F174-H176 PolarHBondContact O-CD2 3.5Å; F174-E201 HydrophobicContact CE1-CB 4.12Å; F174-E201 WeakPolarHBondContact CE1-O 3.15Å; F174-R243 HydrophobicContact CB-CB 4.18Å; F174-R243 HydrophobicContact CD1-CG 4.2Å; F174-R243 HydrophobicContact CG-CG 4.49Å; F174-Y244 CarbonylContact C-O 3.59Å; F174-Y244 VanDerWaalsContact CA-O 3.32Å; F174-Y244 WeakPolarHBondContact CA-O 3.4Å; F174-Y245 HydrophobicContact CE1-CD2 4.41Å; F174-I281 CarbonylContact O-C 3.24Å; F174-I281 WeakPolarHBondContact O-CA 3.21Å; F174-S282 PolarHBondContact N-O 2.84Å; F174-S282 PolarHBondContact O-N 3.2Å; F174-L283 WeakPolarHBondContact CD2-O 3.32Å; F174-Y284 HydrophobicContact CE1-CD2 4.4Å; F174-Y284 AromaticContact CE2-CD2 3.86Å; F174-Y284 HydrophobicContact CE2-CD2 3.86Å; F174-Y284 AromaticContact CZ-CD2 3.64Å; F174-Y284 HydrophobicContact CZ-CD2 3.64Å; F174-Y284 AromaticContact CZ-CE2 3.98Å; F174-Y284 HydrophobicContact CZ-CE2 3.98Å
175L98.3Very high95.2Very high0 Ų027.1 Ų27.10%013%0.133CC..EExtended strand (participates in β ladder)trans-90.6138.5172.7-175.372.1000110.3F185 L197 L238 R243 Y244 F246 W264 I276 Y280L175-F185 HydrophobicContact CD2-CE1 3.68Å; L175-F185 HydrophobicContact CD2-CZ 3.6Å; L175-L197 HydrophobicContact CD2-CD1 4.23Å; L175-L238 HydrophobicContact CD2-CD1 4.41Å; L175-R243 WeakPolarHBondContact O-CA 3.45Å; L175-Y244 PolarHBondContact N-O 2.71Å; L175-Y244 PolarHBondContact O-N 3.07Å; L175-F246 HydrophobicContact CB-CD1 4.05Å; L175-W264 HydrophobicContact CD1-CE3 4.42Å; L175-W264 HydrophobicContact CD1-CH2 4.2Å; L175-W264 HydrophobicContact CD1-CZ3 3.88Å; L175-W264 HydrophobicContact CD2-CE3 4.29Å; L175-W264 HydrophobicContact CD2-CZ3 3.96Å; L175-W264 HydrophobicContact CG-CZ3 4.05Å; L175-I276 HydrophobicContact CD1-CD1 4.04Å; L175-I276 HydrophobicContact CD1-CG2 3.69Å; L175-Y280 CarbonylContact C-O 3.27Å; L175-Y280 WeakPolarHBondContact CA-O 3.45Å
176H97.4Very high95.8Very high18 Ų1821.4 Ų21.48%0.08311%0.108CC..  trans-122.4104.2-179.4-60.7-106.6000109W115 K120 F174 Y280 S282W115-H176 AromaticContact CZ2-CE1 3.93Å; K120-H176 VanDerWaalsContact CE-CE1 3.44Å; K120-H176 WeakPolarHBondContact CE-CE1 3.36Å; K120-H176 VanDerWaalsContact CE-ND1 3.3Å; K120-H176 WeakPolarHBondContact CE-ND1 3.4Å; K120-H176 PolarHBondContact NZ-ND1 2.95Å; F174-H176 PolarHBondContact O-CD2 3.5Å; H176-Y280 PolarHBondContact N-O 2.95Å; H176-S282 WeakPolarHBondContact NE2-CB 3.34Å; H176-S282 PolarHBondContact NE2-OG 3.34Å
177P96.5Very high96.4Very high6 Ų620 Ų204%0.03910%0.1CC..  trans-64.9138.4-179.3-18.131000111.7K179 F183 L238 S240 R242 Y244P177-K179 VanDerWaalsContact C-N 3.27Å; P177-K179 PolarHBondContact O-N 3.15Å; P177-F183 HydrophobicContact CB-CE2 4.37Å; P177-L238 HydrophobicContact CB-CB 4.09Å; P177-L238 HydrophobicContact CG-CB 3.68Å; P177-L238 HydrophobicContact CG-CD1 4.25Å; P177-L238 HydrophobicContact CG-CG 4.45Å; P177-S240 VanDerWaalsContact O-CA 3.31Å; P177-S240 WeakPolarHBondContact O-CA 3.49Å; P177-S240 WeakPolarHBondContact O-CB 3.4Å; P177-R242 WeakPolarHBondContact CD-O 3.43Å; P177-Y244 HydrophobicContact CG-CD2 4.03Å; P177-Y244 HydrophobicContact CG-CE2 3.76Å
178Y94.4Very high96.7Very high90 Ų9020 Ų2035%0.35310%0.1SC..SBendtrans-77.7-11.3179.767.4-104.8000114.6F183 W264 P266 Y280Y178-F183 HydrophobicContact CD1-CE1 4.16Å; Y178-F183 HydrophobicContact CD1-CZ 4.36Å; Y178-F183 AromaticContact CE1-CE1 3.7Å; Y178-F183 HydrophobicContact CE1-CE1 3.7Å; Y178-F183 HydrophobicContact CE1-CZ 4.2Å; Y178-W264 HydrophobicContact CD1-CH2 4.15Å; Y178-W264 AromaticContact CD1-CZ2 3.63Å; Y178-W264 HydrophobicContact CD1-CZ2 3.63Å; Y178-W264 HydrophobicContact CE1-CZ2 4.1Å; Y178-P266 WeakPolarHBondContact OH-CD 3.32Å; Y178-P266 WeakPolarHBondContact OH-CG 3.5Å; Y178-Y280 HydrophobicContact CD1-CE1 4.28Å; Y178-Y280 HydrophobicContact CG-CE1 4.33Å
179K94.4Very high96.8Very high79 Ų7920 Ų2034%0.34310%0.1SC..SBendtrans-158.2166.9175.264175.6179.1176.30109.4P177 F183P177-K179 VanDerWaalsContact C-N 3.27Å; P177-K179 PolarHBondContact O-N 3.15Å; K179-F183 HydrophobicContact CG-CE2 4.37Å; K179-F183 HydrophobicContact CG-CZ 3.91Å
180D96.9Very high96.5Very high93 Ų9320.1 Ų20.150%0.49710%0.101SC..SBendtrans-78.1149.8170-58.8-5.9000110.6L238 S240D180-L238 CarbonylContact C-O 3.59Å; D180-L238 WeakPolarHBondContact CA-O 3.36Å; D180-S240 WeakPolarHBondContact OD1-CB 3.49Å; D180-S240 PolarHBondContact OD1-N 3.02Å; D180-S240 PolarHBondContact OD1-OG 2.88Å
181G95.9Very high96.1Very high21 Ų2120.8 Ų20.822%0.21610%0.104CC..EExtended strand (participates in β ladder)trans127.3-165.9172.900000114.1F183 L238G181-F183 WeakPolarHBondContact O-CD2 3.36Å; G181-L238 PolarHBondContact N-O 2.88Å; G181-L238 PolarHBondContact O-N 3.46Å
182D96.8Very high95.9Very high71 Ų7120.8 Ų20.838%0.3810%0.104SC..EExtended strand (participates in β ladder)trans-89.9130.3-172.6-62.6-13.2000112H237 P266 F267D182-H237 IonicContact OD1-CE1 2.78Å; D182-H237 IonicContact OD1-CG 2.73Å; D182-H237 IonicContact OD1-ND1 2.61Å; D182-H237 PolarHBondContact OD1-ND1 2.78Å; D182-P266 WeakPolarHBondContact O-CA 3.26Å; D182-F267 HydrophobicContact CB-CB 3.91Å; D182-F267 PolarHBondContact O-N 3.41Å
183F97Very high95.8Very high0 Ų020.8 Ų20.80%010%0.104CC..EExtended strand (participates in β ladder)trans-115.7153.5176-72.1-101.6000111.1P177 Y178 K179 G181 F185 S235 V236 L238 W264 R265P177-F183 HydrophobicContact CB-CE2 4.37Å; Y178-F183 HydrophobicContact CD1-CE1 4.16Å; Y178-F183 HydrophobicContact CD1-CZ 4.36Å; Y178-F183 AromaticContact CE1-CE1 3.7Å; Y178-F183 HydrophobicContact CE1-CE1 3.7Å; Y178-F183 HydrophobicContact CE1-CZ 4.2Å; K179-F183 HydrophobicContact CG-CE2 4.37Å; K179-F183 HydrophobicContact CG-CZ 3.91Å; G181-F183 WeakPolarHBondContact O-CD2 3.36Å; F183-F185 HydrophobicContact CB-CE2 3.97Å; F183-F185 HydrophobicContact CB-CZ 4.45Å; F183-S235 CarbonylContact O-C 3.58Å; F183-S235 WeakPolarHBondContact O-CA 3.23Å; F183-V236 PolarHBondContact N-O 2.89Å; F183-V236 PolarHBondContact O-N 2.91Å; F183-L238 HydrophobicContact CB-CD1 4.16Å; F183-L238 HydrophobicContact CD2-CB 4.01Å; F183-L238 HydrophobicContact CD2-CD1 3.95Å; F183-L238 HydrophobicContact CD2-CG 4.31Å; F183-L238 HydrophobicContact CE2-CB 4.31Å; F183-L238 HydrophobicContact CG-CD1 4.15Å; F183-W264 HydrophobicContact CD1-CD2 4.08Å; F183-W264 AromaticContact CD1-CE3 3.79Å; F183-W264 HydrophobicContact CD1-CE3 3.79Å; F183-W264 HydrophobicContact CD1-CG 4.45Å; F183-W264 HydrophobicContact CD1-CZ3 4.37Å; F183-W264 HydrophobicContact CE1-CD2 4.21Å; F183-W264 HydrophobicContact CE1-CE3 4.01Å; F183-W264 HydrophobicContact CE1-CZ3 4.22Å; F183-R265 CarbonylContact C-O 3.58Å; F183-R265 VanDerWaalsContact CA-O 3.31Å; F183-R265 WeakPolarHBondContact CA-O 3.35Å
184Q96.7Very high95.7Very high26 Ų2621.9 Ų21.912%0.12111%0.11CC..EExtended strand (participates in β ladder)trans-118.2132.3165.9-171.7173.940.200108.7S233 W264 R265 F267 Y273Q184-S233 WeakPolarHBondContact CG-O 3.4Å; Q184-S233 PolarHBondContact NE2-O 3.22Å; Q184-W264 CarbonylContact O-C 3.51Å; Q184-W264 VanDerWaalsContact O-CA 3.3Å; Q184-W264 WeakPolarHBondContact O-CA 3.32Å; Q184-R265 HydrophobicContact CB-CG 4.2Å; Q184-R265 PolarHBondContact N-O 2.83Å; Q184-R265 PolarHBondContact O-N 2.67Å; Q184-F267 HydrophobicContact CB-CD2 4.26Å; Q184-Y273 HydrophobicContact CB-CE1 4.44Å; Q184-Y273 VanDerWaalsContact CD-OH 3.28Å; Q184-Y273 HydrophobicContact CG-CE1 4.23Å; Q184-Y273 PolarHBondContact OE1-OH 3.4Å
185F98.1Very high95.7Very high0 Ų021.3 Ų21.30%011%0.107CC..EExtended strand (participates in β ladder)trans-102.2151.6177.7-68.7-93.3000110.3L175 F183 F195 L197 L209 S233 V236 L238 V262 G263 W264 I276L175-F185 HydrophobicContact CD2-CE1 3.68Å; L175-F185 HydrophobicContact CD2-CZ 3.6Å; F183-F185 HydrophobicContact CB-CE2 3.97Å; F183-F185 HydrophobicContact CB-CZ 4.45Å; F185-F195 HydrophobicContact CB-CD1 4.36Å; F185-F195 HydrophobicContact CB-CE1 4.13Å; F185-F195 HydrophobicContact CD1-CD1 4.48Å; F185-F195 AromaticContact CD1-CE1 3.54Å; F185-F195 HydrophobicContact CD1-CE1 3.54Å; F185-F195 HydrophobicContact CD1-CZ 4.1Å; F185-F195 HydrophobicContact CE1-CE1 4.13Å; F185-F195 HydrophobicContact CE1-CZ 4.32Å; F185-F195 AromaticContact CG-CE1 3.89Å; F185-F195 HydrophobicContact CG-CE1 3.89Å; F185-L197 HydrophobicContact CD2-CD2 4.35Å; F185-L197 HydrophobicContact CE2-CD2 3.84Å; F185-L197 HydrophobicContact CZ-CD2 3.97Å; F185-L209 HydrophobicContact CB-CD2 3.86Å; F185-L209 HydrophobicContact CD2-CD2 3.67Å; F185-L209 HydrophobicContact CE2-CD2 4.46Å; F185-L209 HydrophobicContact CG-CD2 3.85Å; F185-S233 PolarHBondContact N-OG 2.66Å; F185-S233 PolarHBondContact O-N 3.45Å; F185-V236 HydrophobicContact CD2-CB 4.48Å; F185-V236 HydrophobicContact CD2-CG2 4.25Å; F185-V236 HydrophobicContact CE2-CB 4.21Å; F185-V236 HydrophobicContact CE2-CG2 4.44Å; F185-L238 HydrophobicContact CE2-CD1 3.84Å; F185-L238 HydrophobicContact CZ-CD1 3.66Å; F185-V262 HydrophobicContact CD1-CG1 4.43Å; F185-G263 CarbonylContact C-O 3.52Å; F185-G263 WeakPolarHBondContact CA-O 3.36Å; F185-W264 HydrophobicContact CD1-CB 3.93Å; F185-W264 HydrophobicContact CE1-CB 3.96Å; F185-W264 AromaticContact CE1-CE3 3.83Å; F185-W264 HydrophobicContact CE1-CE3 3.83Å; F185-W264 AromaticContact CZ-CE3 3.88Å; F185-W264 HydrophobicContact CZ-CE3 3.88Å; F185-I276 HydrophobicContact CD1-CD1 4.09Å; F185-I276 HydrophobicContact CE1-CD1 3.82Å
186S97.5Very high95.7Very high0 Ų022.2 Ų22.20%011%0.111CC..EExtended strand (participates in β ladder)trans-145.8148.7166-167.90000113.3F225 Q231 S232 V262 G263 Y273S186-F225 WeakPolarHBondContact OG-CB 3.26Å; S186-F225 WeakPolarHBondContact OG-CD1 3.21Å; S186-F225 PolarHBondContact OG-O 3.43Å; S186-F225 VanDerWaalsContact OG-O 3.12Å; S186-Q231 WeakPolarHBondContact CA-O 3.24Å; S186-Q231 VanDerWaalsContact CB-O 3.24Å; S186-Q231 WeakPolarHBondContact CB-O 3.47Å; S186-Q231 PolarHBondContact OG-O 2.97Å; S186-S232 PolarHBondContact OG-OG 2.83Å; S186-V262 CarbonylContact O-C 3.59Å; S186-V262 WeakPolarHBondContact O-CA 3.41Å; S186-G263 PolarHBondContact N-O 3.42Å; S186-G263 PolarHBondContact O-N 2.75Å; S186-Y273 VanDerWaalsContact CB-CZ 3.49Å
187V97.9Very high95.8Very high0 Ų021.6 Ų21.60%011%0.108CC..EExtended strand (participates in β ladder)trans-117.1142178.464.70000110.5S193 V210 V212 Q231 V260 E261 V262V187-S193 WeakPolarHBondContact CG2-OG 3.16Å; V187-V210 HydrophobicContact CB-CG2 3.9Å; V187-V210 HydrophobicContact CG1-CB 3.99Å; V187-V210 HydrophobicContact CG1-CG2 3.57Å; V187-V212 HydrophobicContact CG1-CG2 4.35Å; V187-Q231 PolarHBondContact N-O 3.19Å; V187-Q231 WeakPolarHBondContact O-CG 3.47Å; V187-Q231 PolarHBondContact O-NE2 3.33Å; V187-V260 HydrophobicContact CG2-CG2 4.33Å; V187-E261 WeakPolarHBondContact CA-O 3.47Å; V187-V262 HydrophobicContact CB-CG2 4.44Å; V187-V262 HydrophobicContact CG2-CG2 4.13Å
188S95.8Very high95.8Very high0 Ų021.4 Ų21.40%011%0.106CC..EExtended strand (participates in β ladder)trans-130.1137.3169.4171.10000108.3T220 A221 V260 E261S188-T220 WeakPolarHBondContact CA-OG1 3.3Å; S188-T220 PolarHBondContact OG-OG1 3.09Å; S188-A221 PolarHBondContact OG-O 3.41Å; S188-V260 CarbonylContact O-C 3.57Å; S188-V260 WeakPolarHBondContact O-CA 3.39Å; S188-E261 PolarHBondContact N-O 3.13Å; S188-E261 PolarHBondContact O-N 3.46Å
189S95Very high95.9Very high0 Ų020.1 Ų20.10%011%0.109CC..EExtended strand (participates in β ladder)trans-148.4157.8171.859.50000110.8D191 S193 V212 T220 H259S189-D191 PolarHBondContact OG-O 3.19Å; S189-S193 VanDerWaalsContact CB-OG 3.24Å; S189-S193 WeakPolarHBondContact CB-OG 3.4Å; S189-S193 VanDerWaalsContact OG-CB 3.25Å; S189-S193 WeakPolarHBondContact OG-CB 3.41Å; S189-S193 PolarHBondContact OG-OG 3.47Å; S189-V212 WeakPolarHBondContact OG-CB 3.36Å; S189-T220 CarbonylContact C-O 3.59Å; S189-T220 PolarHBondContact N-OG1 2.89Å; S189-T220 WeakPolarHBondContact O-CA 3.4Å; S189-T220 PolarHBondContact O-N 3.01Å; S189-T220 VanDerWaalsContact O-O 3.06Å; S189-T220 PolarHBondContact O-OG1 3.5Å; S189-H259 CarbonylContact C-O 3.53Å; S189-H259 WeakPolarHBondContact CA-O 3.32Å; S189-H259 VanDerWaalsContact CB-O 3.32Å; S189-H259 WeakPolarHBondContact CB-O 3.39Å
190D87.7Confident95.9Very high6 Ų619 Ų193%0.03211%0.107CC..SBendtrans-76.4148.8150.5-162.840.9000108.7H250 Q252 G256 S257 H259D190-H250 PolarHBondContact O-CE1 3.01Å; D190-H250 PolarHBondContact O-ND1 2.85Å; D190-Q252 PolarHBondContact OD2-NE2 2.74Å; D190-G256 WeakPolarHBondContact OD2-CA 3.2Å; D190-S257 VanDerWaalsContact CB-O 3.26Å; D190-S257 WeakPolarHBondContact CB-O 3.46Å; D190-S257 PolarHBondContact OD2-N 2.93Å; D190-H259 WeakPolarHBondContact CB-CE1 3.46Å; D190-H259 WeakPolarHBondContact CB-NE2 3.28Å; D190-H259 PolarHBondContact N-NE2 3.21Å; D190-H259 VanDerWaalsContact N-NE2 3.19Å; D190-H259 PolarHBondContact N-O 3.44Å
191D90.4Very high95.8Very high13 Ų1318 Ų187%0.0710%0.1CC..SBendtrans44.2-156.2-164.6-72.9-33.9000113S189 V212 E218 K251 D253S189-D191 PolarHBondContact OG-O 3.19Å; D191-V212 WeakPolarHBondContact O-CG1 2.99Å; D191-E218 CarbonylContact C-O 3.56Å; D191-E218 VanDerWaalsContact C-O 3.24Å; D191-E218 VanDerWaalsContact O-O 3.12Å; D191-K251 WeakPolarHBondContact CB-O 3.46Å; D191-D253 WeakPolarHBondContact OD2-CB 3.23Å; D191-D253 PolarHBondContact OD2-N 3.05Å
192N93.1Very high95.7Very high2 Ų218.9 Ų18.91%0.01110%0.102CC..  trans-83.8145.7-173.9-68.6-171.9000113.3S134 V136 V212 Q214 G216 E218 H250 K251S134-N192 WeakPolarHBondContact O-CB 3.17Å; S134-N192 PolarHBondContact O-N 3.23Å; V136-N192 HydrophobicContact CG2-CB 4.27Å; N192-V212 CarbonylContact C-O 3.56Å; N192-V212 WeakPolarHBondContact CA-O 3.37Å; N192-V212 WeakPolarHBondContact CB-O 3.44Å; N192-Q214 PolarHBondContact OD1-N 3.07Å; N192-G216 WeakPolarHBondContact OD1-CA 3.18Å; N192-G216 PolarHBondContact OD1-N 3.12Å; N192-E218 PolarHBondContact ND2-O 3.03Å; N192-E218 VanDerWaalsContact ND2-O 3.09Å; N192-E218 PolarHBondContact ND2-OE2 3.14Å; N192-H250 WeakPolarHBondContact O-CA 3.31Å; N192-H250 PolarHBondContact O-ND1 3.01Å; N192-K251 PolarHBondContact O-N 3.28Å
193S95.4Very high95.5Very high0 Ų015.8 Ų15.80%09%0.086CC..EExtended strand (participates in β ladder)trans-150.7156171.462.70000112.7V187 S189 Y211 V212 L249V187-S193 WeakPolarHBondContact CG2-OG 3.16Å; S189-S193 VanDerWaalsContact CB-OG 3.24Å; S189-S193 WeakPolarHBondContact CB-OG 3.4Å; S189-S193 VanDerWaalsContact OG-CB 3.25Å; S189-S193 WeakPolarHBondContact OG-CB 3.41Å; S189-S193 PolarHBondContact OG-OG 3.47Å; S193-Y211 CarbonylContact O-C 3.55Å; S193-Y211 WeakPolarHBondContact O-CA 3.3Å; S193-Y211 VanDerWaalsContact O-CB 3.25Å; S193-Y211 WeakPolarHBondContact O-CB 3.15Å; S193-V212 PolarHBondContact N-O 2.96Å; S193-V212 PolarHBondContact O-N 3.32Å; S193-L249 CarbonylContact C-O 3.58Å; S193-L249 WeakPolarHBondContact CA-O 3.43Å; S193-L249 WeakPolarHBondContact CB-O 3.28Å
194E96.9Very high95.2Very high23 Ų2317.5 Ų17.511%0.10710%0.095CC..EExtended strand (participates in β ladder)trans-133.8137.1178.4-65.5176-147.500110.1V136 R140 W196 L208 I248 L249V136-E194 HydrophobicContact CB-CG 4.46Å; V136-E194 WeakPolarHBondContact CB-OE1 3.04Å; V136-E194 WeakPolarHBondContact CG1-OE1 3.28Å; V136-E194 HydrophobicContact CG2-CG 4.3Å; R140-E194 IonicContact CZ-OE1 3.5Å; R140-E194 IonicContact CZ-OE2 3.39Å; R140-E194 IonicContact NH1-OE1 2.77Å; R140-E194 PolarHBondContact NH1-OE1 2.92Å; R140-E194 IonicContact NH1-OE2 2.73Å; R140-E194 VanDerWaalsContact NH2-CD 3.29Å; R140-E194 IonicContact NH2-OE1 3.72Å; R140-E194 PolarHBondContact NH2-OE1 3.01Å; R140-E194 VanDerWaalsContact NH2-OE1 3.16Å; R140-E194 IonicContact NH2-OE2 3.16Å; R140-E194 PolarHBondContact NH2-OE2 2.95Å; E194-W196 WeakPolarHBondContact OE2-CZ2 3.45Å; E194-W196 PolarHBondContact OE2-NE1 2.67Å; E194-L208 HydrophobicContact CB-CD1 3.79Å; E194-L208 HydrophobicContact CG-CD1 4.06Å; E194-I248 WeakPolarHBondContact O-CA 3.42Å; E194-L249 PolarHBondContact N-O 2.84Å; E194-L249 PolarHBondContact O-N 2.76Å
195F98.1Very high95.1Very high0 Ų019.9 Ų19.90%011%0.108CC..EExtended strand (participates in β ladder)trans-115.4123.3170.8178.8-122.2000110.8F185 L197 L209 V210 F246 I248 V262F185-F195 HydrophobicContact CB-CD1 4.36Å; F185-F195 HydrophobicContact CB-CE1 4.13Å; F185-F195 HydrophobicContact CD1-CD1 4.48Å; F185-F195 AromaticContact CD1-CE1 3.54Å; F185-F195 HydrophobicContact CD1-CE1 3.54Å; F185-F195 HydrophobicContact CD1-CZ 4.1Å; F185-F195 HydrophobicContact CE1-CE1 4.13Å; F185-F195 HydrophobicContact CE1-CZ 4.32Å; F185-F195 AromaticContact CG-CE1 3.89Å; F185-F195 HydrophobicContact CG-CE1 3.89Å; F195-L197 HydrophobicContact CE1-CB 4.34Å; F195-L197 HydrophobicContact CZ-CB 4.47Å; F195-L197 HydrophobicContact CZ-CD1 4.44Å; F195-L209 HydrophobicContact CD1-CB 4.38Å; F195-L209 HydrophobicContact CD1-CD2 4.11Å; F195-L209 HydrophobicContact CE1-CD2 3.97Å; F195-L209 PolarHBondContact O-N 2.87Å; F195-V210 HydrophobicContact CB-CG2 3.76Å; F195-V210 HydrophobicContact CD1-CG2 4.03Å; F195-V210 HydrophobicContact CG-CG2 4.38Å; F195-V210 PolarHBondContact N-O 3.28Å; F195-V210 PolarHBondContact O-N 2.83Å; F195-F246 HydrophobicContact CE2-CB 3.84Å; F195-F246 AromaticContact CE2-CD2 3.97Å; F195-F246 HydrophobicContact CE2-CD2 3.97Å; F195-F246 HydrophobicContact CE2-CG 4.21Å; F195-F246 HydrophobicContact CZ-CB 4.2Å; F195-I248 HydrophobicContact CD2-CG1 3.66Å; F195-I248 HydrophobicContact CE2-CG1 4.19Å; F195-V262 HydrophobicContact CB-CG2 4.4Å; F195-V262 HydrophobicContact CD1-CG1 4.14Å; F195-V262 HydrophobicContact CD2-CG1 4.3Å; F195-V262 HydrophobicContact CD2-CG2 4.01Å; F195-V262 HydrophobicContact CE1-CG1 4.09Å; F195-V262 HydrophobicContact CE2-CG1 4.22Å; F195-V262 HydrophobicContact CE2-CG2 4.48Å; F195-V262 HydrophobicContact CG-CG1 4.24Å; F195-V262 HydrophobicContact CG-CG2 4.2Å; F195-V262 HydrophobicContact CZ-CG1 4.12Å
196W98.1Very high94.9Very high19 Ų1920 Ų207%0.07211%0.109CC..EExtended strand (participates in β ladder)trans-111.8136.5180-64.668.6000110.1E194 R207 L208 F246 E247 L302 A303 I306E194-W196 WeakPolarHBondContact OE2-CZ2 3.45Å; E194-W196 PolarHBondContact OE2-NE1 2.67Å; W196-R207 CarbonylContact C-O 3.58Å; W196-R207 VanDerWaalsContact CA-O 3.25Å; W196-R207 WeakPolarHBondContact CA-O 3.25Å; W196-L208 HydrophobicContact CD2-CB 4.06Å; W196-L208 HydrophobicContact CD2-CD1 4.48Å; W196-L208 HydrophobicContact CE3-CB 4.28Å; W196-L208 HydrophobicContact CH2-CB 3.95Å; W196-L208 HydrophobicContact CZ2-CB 3.73Å; W196-L208 HydrophobicContact CZ2-CD1 4.21Å; W196-L208 HydrophobicContact CZ2-CG 4.38Å; W196-L208 HydrophobicContact CZ3-CB 4.23Å; W196-F246 VanDerWaalsContact O-CA 3.29Å; W196-F246 WeakPolarHBondContact O-CA 3.4Å; W196-E247 HydrophobicContact CB-CB 4.27Å; W196-E247 WeakPolarHBondContact CB-O 3.47Å; W196-E247 PolarHBondContact N-O 3.03Å; W196-E247 PolarHBondContact O-N 2.86Å; W196-L302 HydrophobicContact CZ3-CB 3.92Å; W196-A303 HydrophobicContact CB-CB 4.28Å; W196-A303 HydrophobicContact CD2-CB 3.38Å; W196-A303 HydrophobicContact CE3-CB 3.79Å; W196-A303 HydrophobicContact CG-CB 3.57Å; W196-A303 HydrophobicContact CZ2-CB 4.29Å; W196-A303 HydrophobicContact CZ3-CB 4.4Å; W196-I306 HydrophobicContact CH2-CD1 4.04Å; W196-I306 HydrophobicContact CH2-CG1 4.39Å; W196-I306 HydrophobicContact CZ2-CD1 3.77Å; W196-I306 HydrophobicContact CZ2-CG1 4.47Å
197L98.2Very high94.7Very high5 Ų526.7 Ų26.73%0.02613%0.134CC..EExtended strand (participates in β ladder)trans-136.4126.7-180-173.463000110.1L175 F185 F195 R207 L209 V236 F246L175-L197 HydrophobicContact CD2-CD1 4.23Å; F185-L197 HydrophobicContact CD2-CD2 4.35Å; F185-L197 HydrophobicContact CE2-CD2 3.84Å; F185-L197 HydrophobicContact CZ-CD2 3.97Å; F195-L197 HydrophobicContact CE1-CB 4.34Å; F195-L197 HydrophobicContact CZ-CB 4.47Å; F195-L197 HydrophobicContact CZ-CD1 4.44Å; L197-R207 PolarHBondContact N-O 2.89Å; L197-R207 VanDerWaalsContact O-CG 3.24Å; L197-R207 WeakPolarHBondContact O-CG 3.15Å; L197-R207 PolarHBondContact O-N 3.26Å; L197-L209 HydrophobicContact CB-CD2 4.08Å; L197-L209 HydrophobicContact CD2-CD2 3.89Å; L197-V236 HydrophobicContact CD2-CG1 4.21Å; L197-F246 HydrophobicContact CD1-CB 3.98Å
198S97.5Very high94.6Very high1 Ų130 Ų301%0.00715%0.152CC..  trans-79.3145.7170.9-178.90000110.8D200 C202 N205 Y245S198-D200 WeakPolarHBondContact CB-O 3.33Å; S198-D200 PolarHBondContact O-N 2.71Å; S198-D200 PolarHBondContact OG-N 2.9Å; S198-D200 PolarHBondContact OG-O 3.15Å; S198-D200 VanDerWaalsContact OG-O 3.13Å; S198-D200 PolarHBondContact OG-OD1 2.92Å; S198-D200 VanDerWaalsContact OG-OD1 3.06Å; S198-C202 WeakPolarHBondContact CB-O 3.17Å; S198-C202 PolarHBondContact OG-O 2.85Å; S198-N205 WeakPolarHBondContact OG-CB 3.34Å; S198-Y245 WeakPolarHBondContact CB-O 3.37Å; S198-Y245 PolarHBondContact N-O 3.1Å
199P96Very high94.7Very high64 Ų6431.8 Ų31.842%0.41616%0.161SC..SBendtrans-68.8-6.4167.931.8-37000113.6N205 Y244P199-N205 WeakPolarHBondContact CD-O 3.37Å; P199-N205 HydrophobicContact CG-CB 4.24Å; P199-Y244 WeakPolarHBondContact O-CD1 3.41Å; P199-Y244 VanDerWaalsContact O-CE1 3.25Å; P199-Y244 WeakPolarHBondContact O-CE1 3.36Å
200D95.3Very high94.8Very high56 Ų5631.8 Ų31.830%0.29916%0.161SC..SBendtrans-150.5-165.4-177.759.239000112.7S198 C202 N205 Y244 Y245S198-D200 WeakPolarHBondContact CB-O 3.33Å; S198-D200 PolarHBondContact O-N 2.71Å; S198-D200 PolarHBondContact OG-N 2.9Å; S198-D200 PolarHBondContact OG-O 3.15Å; S198-D200 VanDerWaalsContact OG-O 3.13Å; S198-D200 PolarHBondContact OG-OD1 2.92Å; S198-D200 VanDerWaalsContact OG-OD1 3.06Å; D200-C202 VanDerWaalsContact C-N 3.27Å; D200-C202 PolarHBondContact O-N 3.24Å; D200-C202 WeakPolarHBondContact OD1-CA 3.45Å; D200-C202 WeakPolarHBondContact OD1-CB 3.21Å; D200-C202 PolarHBondContact OD1-N 3.49Å; D200-N205 PolarHBondContact OD1-ND2 2.78Å; D200-N205 PolarHBondContact OD2-ND2 2.91Å; D200-Y244 CarbonylContact O-C 3.59Å; D200-Y244 WeakPolarHBondContact O-CA 3.44Å; D200-Y245 PolarHBondContact O-N 3.34Å
201E94.3Very high95.2Very high72 Ų7234.9 Ų34.934%0.33617%0.173SC..SBendtrans-77.3-4.3177.368168.1-151.800114.7K112 F174 R243K112-E201 IonicContact NZ-OE1 3.75Å; K112-E201 PolarHBondContact NZ-OE1 3.1Å; F174-E201 HydrophobicContact CE1-CB 4.12Å; F174-E201 WeakPolarHBondContact CE1-O 3.15Å; E201-R243 HydrophobicContact CB-CG 4.08Å; E201-R243 IonicContact OE2-CZ 3.79Å; E201-R243 IonicContact OE2-NE 3.67Å; E201-R243 PolarHBondContact OE2-NE 3.43Å; E201-R243 IonicContact OE2-NH2 2.89Å; E201-R243 PolarHBondContact OE2-NH2 2.72Å
202C93.2Very high95.4Very high38 Ų3834.2 Ų34.226%0.25717%0.169SC..  trans-87.3122.3-176-165.40000110.6S198 D200 L204 N205S198-C202 WeakPolarHBondContact CB-O 3.17Å; S198-C202 PolarHBondContact OG-O 2.85Å; D200-C202 VanDerWaalsContact C-N 3.27Å; D200-C202 PolarHBondContact O-N 3.24Å; D200-C202 WeakPolarHBondContact OD1-CA 3.45Å; D200-C202 WeakPolarHBondContact OD1-CB 3.21Å; D200-C202 PolarHBondContact OD1-N 3.49Å; C202-L204 PolarHBondContact O-N 2.62Å; C202-N205 HydrophobicContact CB-CB 4.4Å; C202-N205 PolarHBondContact O-N 3.02Å
203P93.5Very high95Very high7 Ų734.6 Ų34.65%0.04517%0.173CC..G310 helixtrans-68.3-21.9177.330.3-37.7000112.9Q110 N205 A206 Y245 Y284 P299 T301Q110-P203 VanDerWaalsContact OE1-CG 3.24Å; P203-N205 PolarHBondContact O-N 2.97Å; P203-A206 VanDerWaalsContact O-CB 3.3Å; P203-A206 WeakPolarHBondContact O-CB 3.37Å; P203-A206 PolarHBondContact O-N 3.33Å; P203-Y245 HydrophobicContact CB-CD1 3.82Å; P203-Y245 HydrophobicContact CB-CD2 3.84Å; P203-Y245 HydrophobicContact CB-CE1 3.77Å; P203-Y245 HydrophobicContact CB-CE2 3.78Å; P203-Y245 HydrophobicContact CB-CG 3.84Å; P203-Y284 HydrophobicContact CG-CE2 4.35Å; P203-P299 HydrophobicContact CB-CB 4.02Å; P203-P299 HydrophobicContact CG-CB 4.21Å; P203-T301 HydrophobicContact CB-CG2 3.78Å; P203-T301 WeakPolarHBondContact O-CG2 3.26Å
204L91.2Very high93.9Very high36 Ų3640.4 Ų40.419%0.18820%0.2CC..G310 helixtrans-66.9-22.7175.1-58175.7000113.1L106 Q110 C202L106-L204 HydrophobicContact CB-CD2 3.61Å; Q110-L204 HydrophobicContact CB-CD1 4.09Å; Q110-L204 HydrophobicContact CB-CD2 4.22Å; Q110-L204 HydrophobicContact CB-CG 4.37Å; Q110-L204 HydrophobicContact CG-CD1 4.06Å; Q110-L204 HydrophobicContact CG-CD2 4.4Å; Q110-L204 HydrophobicContact CG-CG 4.13Å; C202-L204 PolarHBondContact O-N 2.62Å
205N92.9Very high92.7Very high76 Ų7646.1 Ų46.141%0.40623%0.231SC..G310 helixtrans-93.55.1-179.2-65.1-15.1000112.5S198 P199 D200 C202 P203 R207S198-N205 WeakPolarHBondContact OG-CB 3.34Å; P199-N205 WeakPolarHBondContact CD-O 3.37Å; P199-N205 HydrophobicContact CG-CB 4.24Å; D200-N205 PolarHBondContact OD1-ND2 2.78Å; D200-N205 PolarHBondContact OD2-ND2 2.91Å; C202-N205 HydrophobicContact CB-CB 4.4Å; C202-N205 PolarHBondContact O-N 3.02Å; P203-N205 PolarHBondContact O-N 2.97Å; N205-R207 PolarHBondContact O-N 2.99Å
206A94.1Very high91.8Very high2 Ų246.4 Ų46.42%0.01723%0.234CC..  trans-64128.4177.400000112P203 Y245P203-A206 VanDerWaalsContact O-CB 3.3Å; P203-A206 WeakPolarHBondContact O-CB 3.37Å; P203-A206 PolarHBondContact O-N 3.33Å; A206-Y245 HydrophobicContact CB-CD1 4.06Å; A206-Y245 HydrophobicContact CB-CE1 4.21Å
207R94.8Very high91.1Very high141 Ų14150.7 Ų50.753%0.53226%0.263SS..EExtended strand (participates in β ladder)trans-123.6147.1177.154.4174.2178.2-173.3-0.8111W196 L197 N205 L209W196-R207 CarbonylContact C-O 3.58Å; W196-R207 VanDerWaalsContact CA-O 3.25Å; W196-R207 WeakPolarHBondContact CA-O 3.25Å; L197-R207 PolarHBondContact N-O 2.89Å; L197-R207 VanDerWaalsContact O-CG 3.24Å; L197-R207 WeakPolarHBondContact O-CG 3.15Å; L197-R207 PolarHBondContact O-N 3.26Å; N205-R207 PolarHBondContact O-N 2.99Å; R207-L209 PolarHBondContact O-N 3.03Å
208L95.6Very high90.8Very high69 Ų6952.3 Ų52.336%0.36127%0.27SS..EExtended strand (participates in β ladder)trans-60.1129.5172.3-177.462.4000109.3E194 W196 Y211E194-L208 HydrophobicContact CB-CD1 3.79Å; E194-L208 HydrophobicContact CG-CD1 4.06Å; W196-L208 HydrophobicContact CD2-CB 4.06Å; W196-L208 HydrophobicContact CD2-CD1 4.48Å; W196-L208 HydrophobicContact CE3-CB 4.28Å; W196-L208 HydrophobicContact CH2-CB 3.95Å; W196-L208 HydrophobicContact CZ2-CB 3.73Å; W196-L208 HydrophobicContact CZ2-CD1 4.21Å; W196-L208 HydrophobicContact CZ2-CG 4.38Å; W196-L208 HydrophobicContact CZ3-CB 4.23Å; L208-Y211 HydrophobicContact CD2-CD1 3.96Å; L208-Y211 HydrophobicContact CD2-CE1 4.45Å; L208-Y211 HydrophobicContact CG-CD1 4.41Å
209L96.5Very high90.5Very high37 Ų3758 Ų5819%0.19429%0.291CS..EExtended strand (participates in β ladder)trans-113.8-43.5-176.9-173.166.2000112.5F185 F195 L197 R207 V236F185-L209 HydrophobicContact CB-CD2 3.86Å; F185-L209 HydrophobicContact CD2-CD2 3.67Å; F185-L209 HydrophobicContact CE2-CD2 4.46Å; F185-L209 HydrophobicContact CG-CD2 3.85Å; F195-L209 HydrophobicContact CD1-CB 4.38Å; F195-L209 HydrophobicContact CD1-CD2 4.11Å; F195-L209 HydrophobicContact CE1-CD2 3.97Å; F195-L209 PolarHBondContact O-N 2.87Å; L197-L209 HydrophobicContact CB-CD2 4.08Å; L197-L209 HydrophobicContact CD2-CD2 3.89Å; R207-L209 PolarHBondContact O-N 3.03Å; L209-V236 HydrophobicContact CD1-CG2 3.79Å; L209-V236 HydrophobicContact CD2-CG2 4.1Å
210V97.3Very high90.4Very high1 Ų155 Ų551%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-151.4156.9177.4-67.50000110.7V187 F195 S230 Q231 S232V187-V210 HydrophobicContact CB-CG2 3.9Å; V187-V210 HydrophobicContact CG1-CB 3.99Å; V187-V210 HydrophobicContact CG1-CG2 3.57Å; F195-V210 HydrophobicContact CB-CG2 3.76Å; F195-V210 HydrophobicContact CD1-CG2 4.03Å; F195-V210 HydrophobicContact CG-CG2 4.38Å; F195-V210 PolarHBondContact N-O 3.28Å; F195-V210 PolarHBondContact O-N 2.83Å; V210-S230 CarbonylContact C-O 3.52Å; V210-S230 VanDerWaalsContact CA-O 3.29Å; V210-S230 WeakPolarHBondContact CA-O 3.35Å; V210-S230 VanDerWaalsContact CB-O 3.31Å; V210-S230 WeakPolarHBondContact CB-O 3.19Å; V210-Q231 WeakPolarHBondContact CB-O 3.46Å; V210-Q231 VanDerWaalsContact CG1-O 3.29Å; V210-Q231 WeakPolarHBondContact CG1-O 3.33Å; V210-S232 VanDerWaalsContact CG1-C 3.46Å
211Y96.7Very high90.2Very high70 Ų7054 Ų5428%0.27527%0.272SS..EExtended strand (participates in β ladder)trans-152.7153.217860.7-90.6000113.3S193 L208 G213 Q214 S230 Q231S193-Y211 CarbonylContact O-C 3.55Å; S193-Y211 WeakPolarHBondContact O-CA 3.3Å; S193-Y211 VanDerWaalsContact O-CB 3.25Å; S193-Y211 WeakPolarHBondContact O-CB 3.15Å; L208-Y211 HydrophobicContact CD2-CD1 3.96Å; L208-Y211 HydrophobicContact CD2-CE1 4.45Å; L208-Y211 HydrophobicContact CG-CD1 4.41Å; Y211-G213 VanDerWaalsContact CD2-O 3.26Å; Y211-G213 WeakPolarHBondContact CD2-O 3.42Å; Y211-Q214 HydrophobicContact CD2-CG 4.14Å; Y211-Q214 HydrophobicContact CE2-CG 3.74Å; Y211-Q214 PolarHBondContact OH-NE2 3.01Å; Y211-S230 PolarHBondContact N-O 2.91Å; Y211-S230 CarbonylContact O-C 3.59Å; Y211-S230 VanDerWaalsContact O-C 3.27Å; Y211-S230 WeakPolarHBondContact O-CB 3.41Å; Y211-S230 PolarHBondContact O-OG 2.78Å; Y211-Q231 PolarHBondContact O-N 3.42Å
212V94.7Very high90Very high0 Ų054.8 Ų54.80%028%0.283CS..EExtended strand (participates in β ladder)trans-101.4117.5159.8175.50000107.5V187 S189 D191 N192 S193 E218 T220 F228 Q231V187-V212 HydrophobicContact CG1-CG2 4.35Å; S189-V212 WeakPolarHBondContact OG-CB 3.36Å; D191-V212 WeakPolarHBondContact O-CG1 2.99Å; N192-V212 CarbonylContact C-O 3.56Å; N192-V212 WeakPolarHBondContact CA-O 3.37Å; N192-V212 WeakPolarHBondContact CB-O 3.44Å; S193-V212 PolarHBondContact N-O 2.96Å; S193-V212 PolarHBondContact O-N 3.32Å; V212-E218 WeakPolarHBondContact CG1-O 3.33Å; V212-T220 HydrophobicContact CG1-CG2 3.96Å; V212-T220 HydrophobicContact CG2-CG2 3.85Å; V212-F228 HydrophobicContact CG1-CE2 4.39Å; V212-Q231 HydrophobicContact CG2-CG 3.88Å
213G84.9Confident89.9Confident9 Ų955.1 Ų55.19%0.09329%0.293CS..  trans68168.2172.300000117.3Y211 E218Y211-G213 VanDerWaalsContact CD2-O 3.26Å; Y211-G213 WeakPolarHBondContact CD2-O 3.42Å; G213-E218 VanDerWaalsContact CA-OE1 3.31Å; G213-E218 WeakPolarHBondContact CA-OE1 3.29Å
214Q71.9Confident89.9Confident122 Ų12258 Ų5857%0.5731%0.306SS*.SBendtrans-141-29.5173-66.1-175.5-21.500111.9N192 Y211 E218N192-Q214 PolarHBondContact OD1-N 3.07Å; Y211-Q214 HydrophobicContact CD2-CG 4.14Å; Y211-Q214 HydrophobicContact CE2-CG 3.74Å; Y211-Q214 PolarHBondContact OH-NE2 3.01Å; Q214-E218 PolarHBondContact N-OE1 2.95Å
215L72.8Confident90Very high143 Ų14357 Ų5775%0.74930%0.299SS*.SBendtrans-98.54.5-172.8-59.9179000113.5E218L215-E218 PolarHBondContact N-OE1 2.91Å; L215-E218 PolarHBondContact N-OE2 2.74Å
216G77.5Confident89.9Confident7 Ų758.8 Ų58.87%0.07231%0.313CS..SBendtrans69.832.7179.800000114.2S134 N192 E218S134-G216 VanDerWaalsContact CB-O 3.22Å; S134-G216 WeakPolarHBondContact CB-O 3.3Å; S134-G216 VanDerWaalsContact OG-C 3.29Å; S134-G216 WeakPolarHBondContact OG-CA 3.49Å; S134-G216 PolarHBondContact OG-O 3.37Å; N192-G216 WeakPolarHBondContact OD1-CA 3.18Å; N192-G216 PolarHBondContact OD1-N 3.12Å; G216-E218 PolarHBondContact N-OE2 3.49Å; G216-E218 VanDerWaalsContact N-OE2 3.11Å
217T84.5Confident89.9Confident109 Ų10962.5 Ų62.567%0.66933%0.329SS*.  trans-131.6-9.717557.60000113.3
218E90.8Very high89.7Confident38 Ų3859 Ų5918%0.17832%0.318CS..  trans-98.1127.5-175.1-36.688.9133.200109.7D191 N192 V212 G213 Q214 L215 G216 F228D191-E218 CarbonylContact C-O 3.56Å; D191-E218 VanDerWaalsContact C-O 3.24Å; D191-E218 VanDerWaalsContact O-O 3.12Å; N192-E218 PolarHBondContact ND2-O 3.03Å; N192-E218 VanDerWaalsContact ND2-O 3.09Å; N192-E218 PolarHBondContact ND2-OE2 3.14Å; V212-E218 WeakPolarHBondContact CG1-O 3.33Å; G213-E218 VanDerWaalsContact CA-OE1 3.31Å; G213-E218 WeakPolarHBondContact CA-OE1 3.29Å; Q214-E218 PolarHBondContact N-OE1 2.95Å; L215-E218 PolarHBondContact N-OE1 2.91Å; L215-E218 PolarHBondContact N-OE2 2.74Å; G216-E218 PolarHBondContact N-OE2 3.49Å; G216-E218 VanDerWaalsContact N-OE2 3.11Å; E218-F228 HydrophobicContact CB-CE2 4.19Å; E218-F228 HydrophobicContact CB-CZ 4.01Å
219W92.8Very high89.6Confident121 Ų12167.4 Ų67.446%0.45835%0.345SS..  trans-142.7164.9-177.766.8-90.1000110A221 K227 F228W219-A221 HydrophobicContact CZ3-CB 4.48Å; W219-K227 VanDerWaalsContact O-CE 3.25Å; W219-K227 WeakPolarHBondContact O-CE 3.4Å; W219-K227 PolarHBondContact O-NZ 3.41Å; W219-F228 WeakPolarHBondContact O-CE2 3.36Å
220T93.7Very high89.4Confident0 Ų067 Ų670%035%0.345CS..  trans-139.7150.8-177.962.40000110.2S188 S189 V212 E224 K227 F228 H259S188-T220 WeakPolarHBondContact CA-OG1 3.3Å; S188-T220 PolarHBondContact OG-OG1 3.09Å; S189-T220 CarbonylContact C-O 3.59Å; S189-T220 PolarHBondContact N-OG1 2.89Å; S189-T220 WeakPolarHBondContact O-CA 3.4Å; S189-T220 PolarHBondContact O-N 3.01Å; S189-T220 VanDerWaalsContact O-O 3.06Å; S189-T220 PolarHBondContact O-OG1 3.5Å; V212-T220 HydrophobicContact CG1-CG2 3.96Å; V212-T220 HydrophobicContact CG2-CG2 3.85Å; T220-E224 WeakPolarHBondContact CA-OE2 3.21Å; T220-K227 HydrophobicContact CG2-CB 4.35Å; T220-K227 HydrophobicContact CG2-CD 4.23Å; T220-F228 HydrophobicContact CG2-CD2 3.77Å; T220-F228 HydrophobicContact CG2-CE2 3.65Å; T220-H259 PolarHBondContact O-NE2 3.28Å
221A91.4Very high89.3Confident37 Ų3767 Ų6731%0.30635%0.345SS..  trans-77.5156.2174.300000111.4S188 W219 G223 E224S188-A221 PolarHBondContact OG-O 3.41Å; W219-A221 HydrophobicContact CZ3-CB 4.48Å; A221-G223 PolarHBondContact O-N 2.88Å; A221-E224 HydrophobicContact CB-CB 4.14Å; A221-E224 PolarHBondContact N-OE2 2.99Å; A221-E224 WeakPolarHBondContact O-CA 3.4Å; A221-E224 WeakPolarHBondContact O-CB 3.42Å; A221-E224 PolarHBondContact O-N 2.66Å
222P90.3Very high89.3Confident88 Ų8865.3 Ų65.357%0.57134%0.344SS*.THydrogen-bonded Turntrans-54.6130.1175-25.233.4000111.9E224P222-E224 VanDerWaalsContact C-N 3.32Å
223G89.5Confident89.4Confident44 Ų4465.7 Ų65.745%0.45435%0.346SS..THydrogen-bonded Turntrans80.4-2.4-173.100000115.9A221 F225 E261A221-G223 PolarHBondContact O-N 2.88Å; G223-F225 VanDerWaalsContact C-N 3.27Å; G223-F225 WeakPolarHBondContact O-CD2 3.32Å; G223-F225 PolarHBondContact O-N 3Å; G223-E261 VanDerWaalsContact CA-OE1 3.29Å; G223-E261 WeakPolarHBondContact CA-OE1 3.42Å; G223-E261 PolarHBondContact N-OE1 2.97Å
224E93.6Very high89.8Confident68 Ų6874.2 Ų74.232%0.31838%0.381SS..  trans-84.657.3-173.8-161.8-176.9-148.900112.8T220 A221 P222 T226 K227 Q231T220-E224 WeakPolarHBondContact CA-OE2 3.21Å; A221-E224 HydrophobicContact CB-CB 4.14Å; A221-E224 PolarHBondContact N-OE2 2.99Å; A221-E224 WeakPolarHBondContact O-CA 3.4Å; A221-E224 WeakPolarHBondContact O-CB 3.42Å; A221-E224 PolarHBondContact O-N 2.66Å; P222-E224 VanDerWaalsContact C-N 3.32Å; E224-T226 PolarHBondContact O-N 2.59Å; E224-K227 VanDerWaalsContact CD-CD 3.43Å; E224-K227 HydrophobicContact CG-CB 4.01Å; E224-K227 HydrophobicContact CG-CD 4.44Å; E224-K227 WeakPolarHBondContact OE2-CD 3.48Å; E224-K227 IonicContact OE2-NZ 3.89Å; E224-K227 PolarHBondContact OE2-NZ 2.84Å; E224-Q231 PolarHBondContact O-NE2 3.23Å; E224-Q231 PolarHBondContact O-OE1 2.98Å
225F93.8Very high90.9Very high14 Ų1471.1 Ų71.16%0.06137%0.373CS..THydrogen-bonded Turntrans-67.78.5-176-66.1-64.6000116.5S186 G223 S232 E261 Y273 V275S186-F225 WeakPolarHBondContact OG-CB 3.26Å; S186-F225 WeakPolarHBondContact OG-CD1 3.21Å; S186-F225 PolarHBondContact OG-O 3.43Å; S186-F225 VanDerWaalsContact OG-O 3.12Å; G223-F225 VanDerWaalsContact C-N 3.27Å; G223-F225 WeakPolarHBondContact O-CD2 3.32Å; G223-F225 PolarHBondContact O-N 3Å; F225-S232 PolarHBondContact O-OG 3.21Å; F225-E261 HydrophobicContact CE1-CG 4.24Å; F225-E261 HydrophobicContact CZ-CG 3.94Å; F225-E261 VanDerWaalsContact CZ-OE1 3.3Å; F225-E261 WeakPolarHBondContact CZ-OE1 3.47Å; F225-Y273 HydrophobicContact CB-CD2 3.41Å; F225-Y273 VanDerWaalsContact CB-CD2 3.41Å; F225-Y273 HydrophobicContact CB-CE2 3.74Å; F225-Y273 HydrophobicContact CB-CG 4.25Å; F225-Y273 HydrophobicContact CD2-CD2 4.04Å; F225-Y273 HydrophobicContact CD2-CG 4.21Å; F225-Y273 AromaticContact CG-CD2 3.83Å; F225-Y273 HydrophobicContact CG-CD2 3.83Å; F225-Y273 HydrophobicContact CG-CG 4.2Å; F225-V275 HydrophobicContact CZ-CG2 4.16Å
226T90.8Very high92Very high114 Ų11465 Ų6570%0.69934%0.341SS*.THydrogen-bonded Turntrans-140.219.3-168.863.40000114.8E224E224-T226 PolarHBondContact O-N 2.59Å
227K93.3Very high93Very high80 Ų8070.2 Ų70.235%0.34836%0.363SS..SBendtrans-81.3-36.9179175.7166.4168.4-170.40112.6W219 T220 E224W219-K227 VanDerWaalsContact O-CE 3.25Å; W219-K227 WeakPolarHBondContact O-CE 3.4Å; W219-K227 PolarHBondContact O-NZ 3.41Å; T220-K227 HydrophobicContact CG2-CB 4.35Å; T220-K227 HydrophobicContact CG2-CD 4.23Å; E224-K227 VanDerWaalsContact CD-CD 3.43Å; E224-K227 HydrophobicContact CG-CB 4.01Å; E224-K227 HydrophobicContact CG-CD 4.44Å; E224-K227 WeakPolarHBondContact OE2-CD 3.48Å; E224-K227 IonicContact OE2-NZ 3.89Å; E224-K227 PolarHBondContact OE2-NZ 2.84Å
228F92.4Very high93.6Very high67 Ų6765.1 Ų65.129%0.29433%0.332SS..SBendtrans-122.7146.1176.7-51.1-71.2000111.8V212 E218 W219 T220 S230 Q231V212-F228 HydrophobicContact CG1-CE2 4.39Å; E218-F228 HydrophobicContact CB-CE2 4.19Å; E218-F228 HydrophobicContact CB-CZ 4.01Å; W219-F228 WeakPolarHBondContact O-CE2 3.36Å; T220-F228 HydrophobicContact CG2-CD2 3.77Å; T220-F228 HydrophobicContact CG2-CE2 3.65Å; F228-S230 PolarHBondContact O-N 2.96Å; F228-Q231 HydrophobicContact CB-CG 4.22Å; F228-Q231 HydrophobicContact CD2-CG 4.45Å; F228-Q231 WeakPolarHBondContact O-CB 3.06Å; F228-Q231 PolarHBondContact O-N 2.79Å; F228-Q231 VanDerWaalsContact O-N 3.15Å
229R92.1Very high93.9Very high246 Ų24665.1 Ų65.193%0.92833%0.333SS*.G310 helixtrans-61.8-31.5176.9-179.7173.4174.2156-2.9112.7Q231R229-Q231 PolarHBondContact O-N 3.34Å
230S93.8Very high94.1Very high29 Ų2962 Ų6220%0.20333%0.33CS..G310 helixtrans-63.8-22177.258.40000113.8V210 Y211 F228 S232V210-S230 CarbonylContact C-O 3.52Å; V210-S230 VanDerWaalsContact CA-O 3.29Å; V210-S230 WeakPolarHBondContact CA-O 3.35Å; V210-S230 VanDerWaalsContact CB-O 3.31Å; V210-S230 WeakPolarHBondContact CB-O 3.19Å; Y211-S230 PolarHBondContact N-O 2.91Å; Y211-S230 CarbonylContact O-C 3.59Å; Y211-S230 VanDerWaalsContact O-C 3.27Å; Y211-S230 WeakPolarHBondContact O-CB 3.41Å; Y211-S230 PolarHBondContact O-OG 2.78Å; F228-S230 PolarHBondContact O-N 2.96Å; S230-S232 VanDerWaalsContact C-N 3.34Å; S230-S232 PolarHBondContact O-N 3.39Å
231Q95.1Very high94.1Very high0 Ų067.1 Ų67.10%037%0.366CS..G310 helixtrans-72.3-23.4-177.5-71.6-178.4-90.100113.7S186 V187 V210 Y211 V212 E224 F228 R229S186-Q231 WeakPolarHBondContact CA-O 3.24Å; S186-Q231 VanDerWaalsContact CB-O 3.24Å; S186-Q231 WeakPolarHBondContact CB-O 3.47Å; S186-Q231 PolarHBondContact OG-O 2.97Å; V187-Q231 PolarHBondContact N-O 3.19Å; V187-Q231 WeakPolarHBondContact O-CG 3.47Å; V187-Q231 PolarHBondContact O-NE2 3.33Å; V210-Q231 WeakPolarHBondContact CB-O 3.46Å; V210-Q231 VanDerWaalsContact CG1-O 3.29Å; V210-Q231 WeakPolarHBondContact CG1-O 3.33Å; Y211-Q231 PolarHBondContact O-N 3.42Å; V212-Q231 HydrophobicContact CG2-CG 3.88Å; E224-Q231 PolarHBondContact O-NE2 3.23Å; E224-Q231 PolarHBondContact O-OE1 2.98Å; F228-Q231 HydrophobicContact CB-CG 4.22Å; F228-Q231 HydrophobicContact CD2-CG 4.45Å; F228-Q231 WeakPolarHBondContact O-CB 3.06Å; F228-Q231 PolarHBondContact O-N 2.79Å; F228-Q231 VanDerWaalsContact O-N 3.15Å; R229-Q231 PolarHBondContact O-N 3.34Å
232S95Very high94.3Very high35 Ų3572.5 Ų72.525%0.24538%0.378CS..BIsolated β-bridgetrans-118.6128.4-170.2-800000111.9S186 V210 F225 S230 Y273S186-S232 PolarHBondContact OG-OG 2.83Å; V210-S232 VanDerWaalsContact CG1-C 3.46Å; F225-S232 PolarHBondContact O-OG 3.21Å; S230-S232 VanDerWaalsContact C-N 3.34Å; S230-S232 PolarHBondContact O-N 3.39Å; S232-Y273 WeakPolarHBondContact CB-OH 3.23Å; S232-Y273 PolarHBondContact OG-OH 3.06Å
233S96.6Very high94.6Very high8 Ų871.6 Ų71.66%0.05636%0.363CS..PPolyproline II helixtrans-75.3166.6-172.774.50000113.6Q184 F185Q184-S233 WeakPolarHBondContact CG-O 3.4Å; Q184-S233 PolarHBondContact NE2-O 3.22Å; F185-S233 PolarHBondContact N-OG 2.66Å; F185-S233 PolarHBondContact O-N 3.45Å
234K94.2Very high95Very high188 Ų18869.9 Ų69.982%0.81734%0.343SS*.PPolyproline II helixtrans-63.9169.3151.7-67.6-176.9179.91790109.5
235S95.1Very high95.2Very high58 Ų5866.7 Ų66.741%0.40633%0.328SS..PPolyproline II helixtrans-60.2139.3170.343.10000111.2F183F183-S235 CarbonylContact O-C 3.58Å; F183-S235 WeakPolarHBondContact O-CA 3.23Å
236V96.9Very high95.4Very high14 Ų1466 Ų669%0.08533%0.325CS..EExtended strand (participates in β ladder)trans-123.5116.9176.2-175.90000108F183 F185 L197 L209 L238F183-V236 PolarHBondContact N-O 2.89Å; F183-V236 PolarHBondContact O-N 2.91Å; F185-V236 HydrophobicContact CD2-CB 4.48Å; F185-V236 HydrophobicContact CD2-CG2 4.25Å; F185-V236 HydrophobicContact CE2-CB 4.21Å; F185-V236 HydrophobicContact CE2-CG2 4.44Å; L197-V236 HydrophobicContact CD2-CG1 4.21Å; L209-V236 HydrophobicContact CD1-CG2 3.79Å; L209-V236 HydrophobicContact CD2-CG2 4.1Å; V236-L238 HydrophobicContact CG1-CD2 3.94Å; V236-L238 HydrophobicContact CG1-CG 4.13Å
237H97.1Very high95.8Very high116 Ų11660.6 Ų60.654%0.53729%0.292SS..EExtended strand (participates in β ladder)trans-75.8125.1177.6-167.975.9000110.7D182D182-H237 IonicContact OD1-CE1 2.78Å; D182-H237 IonicContact OD1-CG 2.73Å; D182-H237 IonicContact OD1-ND1 2.61Å; D182-H237 PolarHBondContact OD1-ND1 2.78Å
238L97.6Very high96Very high2 Ų256.9 Ų56.91%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-132.6150-176.9-62.9177000111.3L175 P177 D180 G181 F183 F185 V236 Y244L175-L238 HydrophobicContact CD2-CD1 4.41Å; P177-L238 HydrophobicContact CB-CB 4.09Å; P177-L238 HydrophobicContact CG-CB 3.68Å; P177-L238 HydrophobicContact CG-CD1 4.25Å; P177-L238 HydrophobicContact CG-CG 4.45Å; D180-L238 CarbonylContact C-O 3.59Å; D180-L238 WeakPolarHBondContact CA-O 3.36Å; G181-L238 PolarHBondContact N-O 2.88Å; G181-L238 PolarHBondContact O-N 3.46Å; F183-L238 HydrophobicContact CB-CD1 4.16Å; F183-L238 HydrophobicContact CD2-CB 4.01Å; F183-L238 HydrophobicContact CD2-CD1 3.95Å; F183-L238 HydrophobicContact CD2-CG 4.31Å; F183-L238 HydrophobicContact CE2-CB 4.31Å; F183-L238 HydrophobicContact CG-CD1 4.15Å; F185-L238 HydrophobicContact CE2-CD1 3.84Å; F185-L238 HydrophobicContact CZ-CD1 3.66Å; V236-L238 HydrophobicContact CG1-CD2 3.94Å; V236-L238 HydrophobicContact CG1-CG 4.13Å; L238-Y244 HydrophobicContact CB-CE2 4.37Å; L238-Y244 HydrophobicContact CD2-CD1 3.74Å; L238-Y244 HydrophobicContact CD2-CD2 3.94Å; L238-Y244 HydrophobicContact CD2-CE1 3.56Å; L238-Y244 HydrophobicContact CD2-CE2 3.81Å; L238-Y244 HydrophobicContact CD2-CG 3.92Å
239I97.7Very high96.2Very high39 Ų3953.7 Ų53.720%0.226%0.262CS..  trans-123.9125.4-177.4-53.6176.8000108.4S241 R242 Y244I239-S241 VanDerWaalsContact C-N 3.26Å; I239-S241 VanDerWaalsContact CG2-OG 3.29Å; I239-S241 WeakPolarHBondContact CG2-OG 3.48Å; I239-S241 PolarHBondContact O-N 2.91Å; I239-R242 HydrophobicContact CB-CB 4.45Å; I239-R242 HydrophobicContact CB-CG 4.19Å; I239-R242 HydrophobicContact CG2-CG 4.43Å; I239-R242 WeakPolarHBondContact O-CB 3.48Å; I239-R242 PolarHBondContact O-N 3.07Å; I239-Y244 PolarHBondContact N-OH 3.09Å
240S95.2Very high96.4Very high56 Ų5642 Ų4239%0.39222%0.217SC..THydrogen-bonded Turntrans-64.4-23.6-176.258.90000114.8P177 D180 R242P177-S240 VanDerWaalsContact O-CA 3.31Å; P177-S240 WeakPolarHBondContact O-CA 3.49Å; P177-S240 WeakPolarHBondContact O-CB 3.4Å; D180-S240 WeakPolarHBondContact OD1-CB 3.49Å; D180-S240 PolarHBondContact OD1-N 3.02Å; D180-S240 PolarHBondContact OD1-OG 2.88Å; S240-R242 VanDerWaalsContact C-N 3.25Å; S240-R242 PolarHBondContact O-N 2.97Å
241S95.1Very high96.4Very high107 Ų10740.6 Ų40.675%0.74821%0.208SC*.THydrogen-bonded Turntrans-78.8-4.1171.660.60000113.9I239I239-S241 VanDerWaalsContact C-N 3.26Å; I239-S241 VanDerWaalsContact CG2-OG 3.29Å; I239-S241 WeakPolarHBondContact CG2-OG 3.48Å; I239-S241 PolarHBondContact O-N 2.91Å
242R96.1Very high96.2Very high150 Ų15040.6 Ų40.657%0.56621%0.208SC*.SBendtrans-113.4160.5179.2-63-172.6179.6-164.21.4111.7P177 I239 S240 Y244P177-R242 WeakPolarHBondContact CD-O 3.43Å; I239-R242 HydrophobicContact CB-CB 4.45Å; I239-R242 HydrophobicContact CB-CG 4.19Å; I239-R242 HydrophobicContact CG2-CG 4.43Å; I239-R242 WeakPolarHBondContact O-CB 3.48Å; I239-R242 PolarHBondContact O-N 3.07Å; S240-R242 VanDerWaalsContact C-N 3.25Å; S240-R242 PolarHBondContact O-N 2.97Å; R242-Y244 HydrophobicContact CB-CE2 3.72Å
243R95.7Very high95.8Very high69 Ų6939.9 Ų39.926%0.2620%0.201SC..  trans-117.5147.617269.2-179.5168.4-150.9-0.9109.8W115 F174 L175 E201W115-R243 VanDerWaalsContact CB-NH1 3.34Å; W115-R243 VanDerWaalsContact CG-NH1 3.3Å; F174-R243 HydrophobicContact CB-CB 4.18Å; F174-R243 HydrophobicContact CD1-CG 4.2Å; F174-R243 HydrophobicContact CG-CG 4.49Å; L175-R243 WeakPolarHBondContact O-CA 3.45Å; E201-R243 HydrophobicContact CB-CG 4.08Å; E201-R243 IonicContact OE2-CZ 3.79Å; E201-R243 IonicContact OE2-NE 3.67Å; E201-R243 PolarHBondContact OE2-NE 3.43Å; E201-R243 IonicContact OE2-NH2 2.89Å; E201-R243 PolarHBondContact OE2-NH2 2.72Å
244Y98.1Very high95.1Very high8 Ų843.2 Ų43.23%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-129.5124.5-174-61.1-95.6000109.5F174 L175 P177 P199 D200 L238 I239 R242F174-Y244 CarbonylContact C-O 3.59Å; F174-Y244 VanDerWaalsContact CA-O 3.32Å; F174-Y244 WeakPolarHBondContact CA-O 3.4Å; L175-Y244 PolarHBondContact N-O 2.71Å; L175-Y244 PolarHBondContact O-N 3.07Å; P177-Y244 HydrophobicContact CG-CD2 4.03Å; P177-Y244 HydrophobicContact CG-CE2 3.76Å; P199-Y244 WeakPolarHBondContact O-CD1 3.41Å; P199-Y244 VanDerWaalsContact O-CE1 3.25Å; P199-Y244 WeakPolarHBondContact O-CE1 3.36Å; D200-Y244 CarbonylContact O-C 3.59Å; D200-Y244 WeakPolarHBondContact O-CA 3.44Å; L238-Y244 HydrophobicContact CB-CE2 4.37Å; L238-Y244 HydrophobicContact CD2-CD1 3.74Å; L238-Y244 HydrophobicContact CD2-CD2 3.94Å; L238-Y244 HydrophobicContact CD2-CE1 3.56Å; L238-Y244 HydrophobicContact CD2-CE2 3.81Å; L238-Y244 HydrophobicContact CD2-CG 3.92Å; I239-Y244 PolarHBondContact N-OH 3.09Å; R242-Y244 HydrophobicContact CB-CE2 3.72Å
245Y98.1Very high94.4Very high0 Ų040 Ų400%021%0.205CC..EExtended strand (participates in β ladder)trans-67.2135.9176.7175.8-89.6000110.3F172 G173 F174 S198 D200 P203 A206 E247 Y284 P299 T301F172-Y245 HydrophobicContact CB-CE2 4.36Å; F172-Y245 HydrophobicContact CD2-CE2 4.35Å; G173-Y245 WeakPolarHBondContact O-CA 3.03Å; F174-Y245 HydrophobicContact CE1-CD2 4.41Å; S198-Y245 WeakPolarHBondContact CB-O 3.37Å; S198-Y245 PolarHBondContact N-O 3.1Å; D200-Y245 PolarHBondContact O-N 3.34Å; P203-Y245 HydrophobicContact CB-CD1 3.82Å; P203-Y245 HydrophobicContact CB-CD2 3.84Å; P203-Y245 HydrophobicContact CB-CE1 3.77Å; P203-Y245 HydrophobicContact CB-CE2 3.78Å; P203-Y245 HydrophobicContact CB-CG 3.84Å; A206-Y245 HydrophobicContact CB-CD1 4.06Å; A206-Y245 HydrophobicContact CB-CE1 4.21Å; Y245-E247 HydrophobicContact CE1-CB 3.94Å; Y245-E247 PolarHBondContact OH-OE2 3.15Å; Y245-Y284 AromaticContact CD2-CD2 3.86Å; Y245-Y284 HydrophobicContact CD2-CD2 3.86Å; Y245-Y284 HydrophobicContact CD2-CE2 4.14Å; Y245-Y284 AromaticContact CE2-CD2 3.83Å; Y245-Y284 HydrophobicContact CE2-CD2 3.83Å; Y245-Y284 HydrophobicContact CE2-CE2 4.14Å; Y245-Y284 HydrophobicContact CE2-CG 4.47Å; Y245-P299 HydrophobicContact CE2-CB 4.41Å; Y245-P299 HydrophobicContact CE2-CG 4.15Å; Y245-P299 WeakPolarHBondContact OH-CG 3.24Å; Y245-T301 HydrophobicContact CE1-CG2 3.97Å
246F98.4Very high93.3Very high0 Ų039.8 Ų39.80%021%0.212CC..EExtended strand (participates in β ladder)trans-132.8156.3174.677.3-91.4000111.9A123 L158 I171 F172 G173 L175 F195 W196 L197 I248 I281A123-F246 HydrophobicContact CB-CZ 3.8Å; L158-F246 HydrophobicContact CD1-CD2 4.34Å; L158-F246 HydrophobicContact CD1-CE2 3.84Å; L158-F246 HydrophobicContact CD1-CZ 4.01Å; L158-F246 HydrophobicContact CD2-CE2 3.74Å; L158-F246 HydrophobicContact CD2-CZ 3.75Å; L158-F246 HydrophobicContact CG-CE2 4.49Å; I171-F246 HydrophobicContact CG2-CE2 4.31Å; F172-F246 WeakPolarHBondContact CA-O 3.3Å; F172-F246 WeakPolarHBondContact CB-O 3.28Å; G173-F246 PolarHBondContact N-O 3.46Å; G173-F246 WeakPolarHBondContact O-CD1 3.47Å; G173-F246 PolarHBondContact O-N 3.01Å; L175-F246 HydrophobicContact CB-CD1 4.05Å; F195-F246 HydrophobicContact CE2-CB 3.84Å; F195-F246 AromaticContact CE2-CD2 3.97Å; F195-F246 HydrophobicContact CE2-CD2 3.97Å; F195-F246 HydrophobicContact CE2-CG 4.21Å; F195-F246 HydrophobicContact CZ-CB 4.2Å; W196-F246 VanDerWaalsContact O-CA 3.29Å; W196-F246 WeakPolarHBondContact O-CA 3.4Å; L197-F246 HydrophobicContact CD1-CB 3.98Å; F246-I248 HydrophobicContact CD2-CG1 4.45Å; F246-I248 HydrophobicContact CE2-CD1 4.41Å; F246-I281 HydrophobicContact CE1-CG2 4.16Å; F246-I281 HydrophobicContact CZ-CG2 4.28Å
247E98.1Very high92.2Very high0 Ų042.8 Ų42.80%023%0.233CC..EExtended strand (participates in β ladder)trans-145.5126.9176.6-170.7168.3155.600109.8R170 I171 F172 W196 Y245 L249 T301 A303 S304R170-E247 HydrophobicContact CG-CG 4.37Å; R170-E247 IonicContact CZ-OE1 2.83Å; R170-E247 VanDerWaalsContact CZ-OE1 3.24Å; R170-E247 IonicContact CZ-OE2 3.18Å; R170-E247 IonicContact NE-OE1 2.75Å; R170-E247 PolarHBondContact NE-OE1 2.71Å; R170-E247 IonicContact NE-OE2 2.71Å; R170-E247 IonicContact NH2-OE1 2.7Å; R170-E247 PolarHBondContact NH2-OE1 3.09Å; R170-E247 IonicContact NH2-OE2 3.24Å; R170-E247 PolarHBondContact NH2-OE2 2.89Å; I171-E247 CarbonylContact O-C 3.57Å; I171-E247 WeakPolarHBondContact O-CA 3.42Å; F172-E247 HydrophobicContact CB-CB 4.42Å; F172-E247 HydrophobicContact CB-CG 4.31Å; W196-E247 HydrophobicContact CB-CB 4.27Å; W196-E247 WeakPolarHBondContact CB-O 3.47Å; W196-E247 PolarHBondContact N-O 3.03Å; W196-E247 PolarHBondContact O-N 2.86Å; Y245-E247 HydrophobicContact CE1-CB 3.94Å; Y245-E247 PolarHBondContact OH-OE2 3.15Å; E247-L249 HydrophobicContact CG-CD2 4.47Å; E247-T301 VanDerWaalsContact CD-OG1 3.28Å; E247-T301 PolarHBondContact OE1-OG1 3.37Å; E247-T301 WeakPolarHBondContact OE2-CB 3.47Å; E247-T301 VanDerWaalsContact OE2-CG2 3.26Å; E247-T301 WeakPolarHBondContact OE2-CG2 3.04Å; E247-T301 PolarHBondContact OE2-OG1 2.81Å; E247-A303 HydrophobicContact CG-CB 4.3Å; E247-S304 PolarHBondContact OE1-OG 2.87Å; E247-S304 VanDerWaalsContact OE1-OG 3.11Å
248I98.2Very high91.5Very high2 Ų238.3 Ų38.31%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-107.1131.3171.5-56.2160.6000107.2L158 R170 I171 E194 F195 F246 V260 V262L158-I248 HydrophobicContact CB-CD1 4.1Å; L158-I248 HydrophobicContact CD1-CD1 4.19Å; L158-I248 HydrophobicContact CD2-CD1 4.08Å; L158-I248 HydrophobicContact CG-CD1 4.34Å; R170-I248 WeakPolarHBondContact CA-O 3.3Å; I171-I248 HydrophobicContact CB-CB 4.16Å; I171-I248 HydrophobicContact CB-CD1 4.19Å; I171-I248 HydrophobicContact CD1-CD1 4.16Å; I171-I248 HydrophobicContact CG2-CD1 4.39Å; I171-I248 PolarHBondContact N-O 2.87Å; I171-I248 PolarHBondContact O-N 3.11Å; E194-I248 WeakPolarHBondContact O-CA 3.42Å; F195-I248 HydrophobicContact CD2-CG1 3.66Å; F195-I248 HydrophobicContact CE2-CG1 4.19Å; F246-I248 HydrophobicContact CD2-CG1 4.45Å; F246-I248 HydrophobicContact CE2-CD1 4.41Å; I248-V260 HydrophobicContact CG2-CG2 3.88Å; I248-V262 HydrophobicContact CD1-CB 4.46Å; I248-V262 HydrophobicContact CD1-CG2 3.59Å; I248-V262 HydrophobicContact CG1-CG2 3.84Å
249L97.1Very high91.3Very high0 Ų038.9 Ų38.90%022%0.216CC..EExtended strand (participates in β ladder)trans-117.9138.8169.1-60.5174.2000108.9V136 R140 F145 L169 R170 S193 E194 E247 A303V136-L249 HydrophobicContact CG1-CB 3.59Å; V136-L249 HydrophobicContact CG1-CD1 4.03Å; V136-L249 HydrophobicContact CG1-CG 4.44Å; R140-L249 VanDerWaalsContact NH2-CD1 3.31Å; F145-L249 HydrophobicContact CE2-CD2 4.11Å; F145-L249 HydrophobicContact CZ-CD1 4.47Å; F145-L249 HydrophobicContact CZ-CD2 3.8Å; L169-L249 WeakPolarHBondContact O-CA 2.83Å; R170-L249 HydrophobicContact CB-CD2 3.75Å; R170-L249 HydrophobicContact CG-CD2 3.67Å; S193-L249 CarbonylContact C-O 3.58Å; S193-L249 WeakPolarHBondContact CA-O 3.43Å; S193-L249 WeakPolarHBondContact CB-O 3.28Å; E194-L249 PolarHBondContact N-O 2.84Å; E194-L249 PolarHBondContact O-N 2.76Å; E247-L249 HydrophobicContact CG-CD2 4.47Å; L249-A303 HydrophobicContact CD1-CB 4.03Å; L249-A303 WeakPolarHBondContact CD1-O 3.45Å
250H94.9Very high91.2Very high0 Ų037.1 Ų37.10%021%0.207CC..EExtended strand (participates in β ladder)trans-149.7143.2178.7156.357.6000109.8Y167 G168 L169 D190 N192 V260Y167-H250 AromaticContact CE2-CD2 3.61Å; Y167-H250 AromaticContact CE2-NE2 3.37Å; Y167-H250 WeakPolarHBondContact CE2-NE2 3.21Å; Y167-H250 AromaticContact CZ-NE2 3.53Å; Y167-H250 PolarHBondContact OH-NE2 2.8Å; G168-H250 CarbonylContact C-O 3.5Å; G168-H250 WeakPolarHBondContact CA-O 3.06Å; L169-H250 PolarHBondContact N-O 2.93Å; L169-H250 PolarHBondContact O-N 2.86Å; L169-H250 VanDerWaalsContact O-N 3.12Å; D190-H250 PolarHBondContact O-CE1 3.01Å; D190-H250 PolarHBondContact O-ND1 2.85Å; N192-H250 WeakPolarHBondContact O-CA 3.31Å; N192-H250 PolarHBondContact O-ND1 3.01Å; H250-V260 HydrophobicContact CB-CB 3.94Å; H250-V260 HydrophobicContact CB-CG1 3.95Å; H250-V260 HydrophobicContact CB-CG2 4.04Å; H250-V260 VanDerWaalsContact CD2-CG1 3.43Å; H250-V260 WeakPolarHBondContact CD2-CG1 2.97Å
251K93.8Very high91.3Very high0 Ų035.8 Ų35.80%019%0.194CC..EExtended strand (participates in β ladder)trans-124.5132.4176.3-17775.5-164.361.30108.7W131 C132 G133 S135 L139 Y167 D191 N192W131-K251 WeakPolarHBondContact O-CE 3.49Å; W131-K251 PolarHBondContact O-NZ 2.76Å; C132-K251 WeakPolarHBondContact O-CE 3.36Å; G133-K251 WeakPolarHBondContact O-CE 3.4Å; G133-K251 WeakPolarHBondContact O-CG 3.45Å; G133-K251 PolarHBondContact O-NZ 2.75Å; S135-K251 WeakPolarHBondContact O-CG 3.38Å; L139-K251 HydrophobicContact CB-CD 4.12Å; L139-K251 HydrophobicContact CD1-CD 4.47Å; Y167-K251 WeakPolarHBondContact O-CD 3.39Å; Y167-K251 PolarHBondContact O-NZ 3.35Å; D191-K251 WeakPolarHBondContact CB-O 3.46Å; N192-K251 PolarHBondContact O-N 3.28Å
252Q90.4Very high91.5Very high1 Ų130.7 Ų30.71%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-118.3132.9174.8-175.873.645.100110.4N166 Y167 D190 D258N166-Q252 VanDerWaalsContact CA-O 3.23Å; N166-Q252 WeakPolarHBondContact CA-O 3.46Å; N166-Q252 PolarHBondContact N-O 3.39Å; Y167-Q252 HydrophobicContact CD1-CB 3.91Å; Y167-Q252 HydrophobicContact CD1-CG 4.28Å; Y167-Q252 HydrophobicContact CD2-CB 4.07Å; Y167-Q252 HydrophobicContact CE1-CB 3.58Å; Y167-Q252 HydrophobicContact CE1-CG 3.74Å; Y167-Q252 HydrophobicContact CE2-CB 3.66Å; Y167-Q252 HydrophobicContact CG-CB 4.15Å; Y167-Q252 VanDerWaalsContact CZ-CB 3.42Å; Y167-Q252 PolarHBondContact N-O 2.9Å; Y167-Q252 VanDerWaalsContact N-O 3.16Å; Y167-Q252 PolarHBondContact O-N 2.95Å; D190-Q252 PolarHBondContact OD2-NE2 2.74Å; Q252-D258 VanDerWaalsContact CD-CB 3.48Å; Q252-D258 HydrophobicContact CG-CB 3.8Å; Q252-D258 VanDerWaalsContact OE1-CA 3.29Å
253D87.5Confident91.5Very high19 Ų1923.5 Ų23.510%0.10213%0.132CC..  trans-85.2-159.6-179.794.9-26.5000113.6K165 N166 D191 K255K165-D253 WeakPolarHBondContact CA-O 3.37Å; N166-D253 PolarHBondContact N-O 2.84Å; D191-D253 WeakPolarHBondContact OD2-CB 3.23Å; D191-D253 PolarHBondContact OD2-N 3.05Å; D253-K255 WeakPolarHBondContact OD1-CA 3.45Å; D253-K255 WeakPolarHBondContact OD1-CB 3.43Å; D253-K255 PolarHBondContact OD1-N 2.96Å; D253-K255 IonicContact OD2-NZ 2.67Å; D253-K255 PolarHBondContact OD2-NZ 3.09Å
254D81.9Confident91.6Very high78 Ų7820.4 Ų20.442%0.41712%0.12SC..SBendtrans-88.97.3177.976.6-57.3000114.7K165 N166K165-D254 WeakPolarHBondContact CD-O 3.24Å; K165-D254 VanDerWaalsContact CE-O 3.26Å; K165-D254 WeakPolarHBondContact CE-O 3.39Å; K165-D254 PolarHBondContact NZ-O 2.55Å; N166-D254 PolarHBondContact OD1-N 3.27Å
255K79Confident91.4Very high121 Ų12122.7 Ų22.753%0.52613%0.129SC..SBendtrans-123.1-144.6-175.9-58172.8-151.865.10109.3D253D253-K255 WeakPolarHBondContact OD1-CA 3.45Å; D253-K255 WeakPolarHBondContact OD1-CB 3.43Å; D253-K255 PolarHBondContact OD1-N 2.96Å; D253-K255 IonicContact OD2-NZ 2.67Å; D253-K255 PolarHBondContact OD2-NZ 3.09Å
256G71.9Confident91.2Very high54 Ų5423.1 Ų23.156%0.55713%0.131SC*.SBendtrans68.3-166.1169.100000117.5D190D190-G256 WeakPolarHBondContact OD2-CA 3.2Å
257S74.3Confident90.9Very high76 Ų7628.2 Ų28.253%0.53115%0.154SC..  trans-143.410516962.60000108.9D190 H259D190-S257 VanDerWaalsContact CB-O 3.26Å; D190-S257 WeakPolarHBondContact CB-O 3.46Å; D190-S257 PolarHBondContact OD2-N 2.93Å; S257-H259 PolarHBondContact O-CE1 3.23Å; S257-H259 PolarHBondContact O-ND1 3.26Å
258D83.6Confident90.4Very high23 Ų2332.9 Ų32.912%0.12318%0.178CC..  trans-78.7127.4-15068-50.2000114.9A161 P162 K163 W164 Y167 Q252A161-D258 WeakPolarHBondContact CA-O 3.4Å; A161-D258 WeakPolarHBondContact CB-O 3.39Å; P162-D258 VanDerWaalsContact CD-OD2 3.27Å; P162-D258 WeakPolarHBondContact CD-OD2 3.48Å; K163-D258 WeakPolarHBondContact CA-OD1 3.34Å; K163-D258 WeakPolarHBondContact CA-OD2 3.43Å; K163-D258 PolarHBondContact N-OD1 3.48Å; K163-D258 PolarHBondContact N-OD2 2.92Å; W164-D258 PolarHBondContact N-OD2 2.95Å; Y167-D258 HydrophobicContact CE1-CB 4.06Å; Y167-D258 WeakPolarHBondContact OH-CB 3.28Å; Q252-D258 VanDerWaalsContact CD-CB 3.48Å; Q252-D258 HydrophobicContact CG-CB 3.8Å; Q252-D258 VanDerWaalsContact OE1-CA 3.29Å
259H92.4Very high89.6Confident13 Ų1339 Ų396%0.0622%0.218CC..  trans-163.9158.8170.366.3-71.4000113.3V160 A161 S189 D190 T220 S257V160-H259 CarbonylContact O-C 3.53Å; V160-H259 VanDerWaalsContact O-CA 3.24Å; V160-H259 WeakPolarHBondContact O-CA 3.46Å; A161-H259 HydrophobicContact CB-CB 4.15Å; S189-H259 CarbonylContact C-O 3.53Å; S189-H259 WeakPolarHBondContact CA-O 3.32Å; S189-H259 VanDerWaalsContact CB-O 3.32Å; S189-H259 WeakPolarHBondContact CB-O 3.39Å; D190-H259 WeakPolarHBondContact CB-CE1 3.46Å; D190-H259 WeakPolarHBondContact CB-NE2 3.28Å; D190-H259 PolarHBondContact N-NE2 3.21Å; D190-H259 VanDerWaalsContact N-NE2 3.19Å; D190-H259 PolarHBondContact N-O 3.44Å; T220-H259 PolarHBondContact O-NE2 3.28Å; S257-H259 PolarHBondContact O-CE1 3.23Å; S257-H259 PolarHBondContact O-ND1 3.26Å
260V96.3Very high88.7Confident2 Ų242.9 Ų42.91%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-141.1137.6157.559.20000110.2A159 V160 L169 I171 V187 S188 I248 H250A159-V260 CarbonylContact C-O 3.51Å; A159-V260 VanDerWaalsContact CA-O 3.3Å; A159-V260 WeakPolarHBondContact CA-O 3.47Å; V160-V260 PolarHBondContact N-O 3.19Å; V160-V260 PolarHBondContact O-N 3.36Å; L169-V260 HydrophobicContact CD1-CG1 4.15Å; I171-V260 HydrophobicContact CD1-CG1 4.47Å; V187-V260 HydrophobicContact CG2-CG2 4.33Å; S188-V260 CarbonylContact O-C 3.57Å; S188-V260 WeakPolarHBondContact O-CA 3.39Å; I248-V260 HydrophobicContact CG2-CG2 3.88Å; H250-V260 HydrophobicContact CB-CB 3.94Å; H250-V260 HydrophobicContact CB-CG1 3.95Å; H250-V260 HydrophobicContact CB-CG2 4.04Å; H250-V260 VanDerWaalsContact CD2-CG1 3.43Å; H250-V260 WeakPolarHBondContact CD2-CG1 2.97Å
261E97Very high88.4Confident28 Ų2846.2 Ų46.213%0.13128%0.275CS..EExtended strand (participates in β ladder)trans-144.8149.2174.262.8172.6-163.400114L158 A159 V187 S188 G223 F225 V275L158-E261 CarbonylContact O-C 3.58Å; L158-E261 WeakPolarHBondContact O-CA 3.39Å; L158-E261 WeakPolarHBondContact O-CB 3.34Å; A159-E261 HydrophobicContact CB-CB 3.65Å; V187-E261 WeakPolarHBondContact CA-O 3.47Å; S188-E261 PolarHBondContact N-O 3.13Å; S188-E261 PolarHBondContact O-N 3.46Å; G223-E261 VanDerWaalsContact CA-OE1 3.29Å; G223-E261 WeakPolarHBondContact CA-OE1 3.42Å; G223-E261 PolarHBondContact N-OE1 2.97Å; F225-E261 HydrophobicContact CE1-CG 4.24Å; F225-E261 HydrophobicContact CZ-CG 3.94Å; F225-E261 VanDerWaalsContact CZ-OE1 3.3Å; F225-E261 WeakPolarHBondContact CZ-OE1 3.47Å; E261-V275 HydrophobicContact CB-CG1 4.36Å
262V98.3Very high88.2Confident0 Ų054.9 Ų54.90%031%0.313CS..EExtended strand (participates in β ladder)trans-119.4116.5176.2-178.80000110.3L158 F185 S186 V187 F195 I248 I276L158-V262 HydrophobicContact CB-CB 4.2Å; L158-V262 PolarHBondContact O-N 3.23Å; F185-V262 HydrophobicContact CD1-CG1 4.43Å; S186-V262 CarbonylContact O-C 3.59Å; S186-V262 WeakPolarHBondContact O-CA 3.41Å; V187-V262 HydrophobicContact CB-CG2 4.44Å; V187-V262 HydrophobicContact CG2-CG2 4.13Å; F195-V262 HydrophobicContact CB-CG2 4.4Å; F195-V262 HydrophobicContact CD1-CG1 4.14Å; F195-V262 HydrophobicContact CD2-CG1 4.3Å; F195-V262 HydrophobicContact CD2-CG2 4.01Å; F195-V262 HydrophobicContact CE1-CG1 4.09Å; F195-V262 HydrophobicContact CE2-CG1 4.22Å; F195-V262 HydrophobicContact CE2-CG2 4.48Å; F195-V262 HydrophobicContact CG-CG1 4.24Å; F195-V262 HydrophobicContact CG-CG2 4.2Å; F195-V262 HydrophobicContact CZ-CG1 4.12Å; I248-V262 HydrophobicContact CD1-CB 4.46Å; I248-V262 HydrophobicContact CD1-CG2 3.59Å; I248-V262 HydrophobicContact CG1-CG2 3.84Å; V262-I276 HydrophobicContact CG1-CD1 3.94Å; V262-I276 PolarHBondContact O-N 2.96Å; V262-I276 VanDerWaalsContact O-N 3.14Å
263G96.8Very high88.3Confident0 Ų056.2 Ų56.20%032%0.318CS..EExtended strand (participates in β ladder)trans-95.3153.317100000112.8F185 S186 E274F185-G263 CarbonylContact C-O 3.52Å; F185-G263 WeakPolarHBondContact CA-O 3.36Å; S186-G263 PolarHBondContact N-O 3.42Å; S186-G263 PolarHBondContact O-N 2.75Å; G263-E274 CarbonylContact C-O 3.6Å; G263-E274 VanDerWaalsContact CA-O 3.31Å; G263-E274 WeakPolarHBondContact CA-O 3.38Å
264W96.9Very high88.7Confident3 Ų361.1 Ų61.11%0.01134%0.34CS..EExtended strand (participates in β ladder)trans-133.9164.416669.3-7000111.8L175 Y178 F183 Q184 F185 Y273 E274 I276 Y280L175-W264 HydrophobicContact CD1-CE3 4.42Å; L175-W264 HydrophobicContact CD1-CH2 4.2Å; L175-W264 HydrophobicContact CD1-CZ3 3.88Å; L175-W264 HydrophobicContact CD2-CE3 4.29Å; L175-W264 HydrophobicContact CD2-CZ3 3.96Å; L175-W264 HydrophobicContact CG-CZ3 4.05Å; Y178-W264 HydrophobicContact CD1-CH2 4.15Å; Y178-W264 AromaticContact CD1-CZ2 3.63Å; Y178-W264 HydrophobicContact CD1-CZ2 3.63Å; Y178-W264 HydrophobicContact CE1-CZ2 4.1Å; F183-W264 HydrophobicContact CD1-CD2 4.08Å; F183-W264 AromaticContact CD1-CE3 3.79Å; F183-W264 HydrophobicContact CD1-CE3 3.79Å; F183-W264 HydrophobicContact CD1-CG 4.45Å; F183-W264 HydrophobicContact CD1-CZ3 4.37Å; F183-W264 HydrophobicContact CE1-CD2 4.21Å; F183-W264 HydrophobicContact CE1-CE3 4.01Å; F183-W264 HydrophobicContact CE1-CZ3 4.22Å; Q184-W264 CarbonylContact O-C 3.51Å; Q184-W264 VanDerWaalsContact O-CA 3.3Å; Q184-W264 WeakPolarHBondContact O-CA 3.32Å; F185-W264 HydrophobicContact CD1-CB 3.93Å; F185-W264 HydrophobicContact CE1-CB 3.96Å; F185-W264 AromaticContact CE1-CE3 3.83Å; F185-W264 HydrophobicContact CE1-CE3 3.83Å; F185-W264 AromaticContact CZ-CE3 3.88Å; F185-W264 HydrophobicContact CZ-CE3 3.88Å; W264-Y273 WeakPolarHBondContact O-CA 3.4Å; W264-E274 VanDerWaalsContact CD1-O 3.29Å; W264-E274 PolarHBondContact N-O 3.14Å; W264-E274 PolarHBondContact O-N 3.38Å; W264-I276 HydrophobicContact CB-CD1 4.15Å; W264-I276 HydrophobicContact CB-CG1 4.19Å; W264-I276 HydrophobicContact CD2-CD1 4.09Å; W264-I276 HydrophobicContact CD2-CG1 3.86Å; W264-I276 HydrophobicContact CE3-CD1 4.27Å; W264-I276 HydrophobicContact CE3-CG1 4.48Å; W264-I276 HydrophobicContact CG-CD1 4.07Å; W264-I276 HydrophobicContact CG-CG1 3.72Å; W264-Y280 HydrophobicContact CH2-CD1 4.31Å; W264-Y280 HydrophobicContact CH2-CD2 4.44Å; W264-Y280 AromaticContact CH2-CG 3.93Å; W264-Y280 HydrophobicContact CH2-CG 3.93Å; W264-Y280 HydrophobicContact CZ2-CD1 4.05Å; W264-Y280 AromaticContact CZ2-CD2 3.59Å; W264-Y280 HydrophobicContact CZ2-CD2 3.59Å; W264-Y280 HydrophobicContact CZ2-CE2 4.16Å; W264-Y280 AromaticContact CZ2-CG 3.52Å; W264-Y280 HydrophobicContact CZ2-CG 3.52Å
265R94.7Very high89.3Confident57 Ų5758.8 Ų58.822%0.21533%0.329CS..EExtended strand (participates in β ladder)trans-151.7155.3166.961-178176.1-170.5-6.7109.8F183 Q184 L271 K272 Y273F183-R265 CarbonylContact C-O 3.58Å; F183-R265 VanDerWaalsContact CA-O 3.31Å; F183-R265 WeakPolarHBondContact CA-O 3.35Å; Q184-R265 HydrophobicContact CB-CG 4.2Å; Q184-R265 PolarHBondContact N-O 2.83Å; Q184-R265 PolarHBondContact O-N 2.67Å; R265-L271 HydrophobicContact CB-CB 4.41Å; R265-L271 VanDerWaalsContact CD-O 3.29Å; R265-L271 WeakPolarHBondContact CD-O 3.4Å; R265-L271 PolarHBondContact NH1-O 3.13Å; R265-K272 WeakPolarHBondContact CB-O 3.31Å; R265-Y273 HydrophobicContact CB-CD1 4.22Å; R265-Y273 HydrophobicContact CG-CD1 3.76Å; R265-Y273 HydrophobicContact CG-CE1 3.69Å; R265-Y273 PolarHBondContact NH2-OH 3.46Å
266P94.3Very high90.2Very high9 Ų953 Ų536%0.05830%0.304CS..EExtended strand (participates in β ladder)trans-55.4146.5159.9-2132.9000110.3Y178 D182 L268 L271Y178-P266 WeakPolarHBondContact OH-CD 3.32Å; Y178-P266 WeakPolarHBondContact OH-CG 3.5Å; D182-P266 WeakPolarHBondContact O-CA 3.26Å; P266-L268 HydrophobicContact CB-CD1 4.1Å; P266-L268 HydrophobicContact CB-CG 4.2Å; P266-L268 PolarHBondContact O-N 3.11Å; P266-L271 HydrophobicContact CB-CD1 3.92Å; P266-L271 HydrophobicContact CG-CD1 3.84Å
267F91.8Very high91.4Very high106 Ų10653.1 Ų53.147%0.46529%0.292SS..SBendtrans-75.266177.3-169.3-113.9000111.4D182 Q184D182-F267 HydrophobicContact CB-CB 3.91Å; D182-F267 PolarHBondContact O-N 3.41Å; Q184-F267 HydrophobicContact CB-CD2 4.26Å
268L87.7Confident92.4Very high99 Ų9952.1 Ų52.152%0.51829%0.285SS..  trans-129.9139.7-179-63.9174.1000110P266 L271P266-L268 HydrophobicContact CB-CD1 4.1Å; P266-L268 HydrophobicContact CB-CG 4.2Å; P266-L268 PolarHBondContact O-N 3.11Å; L268-L271 HydrophobicContact CB-CD1 3.86Å; L268-L271 HydrophobicContact CB-CG 4.21Å; L268-L271 HydrophobicContact CD1-CD1 4.19Å
269P80.6Confident93.1Very high130 Ų13054 Ų5484%0.84430%0.303SS*.THydrogen-bonded Turntrans-57.3142.7-179.8-26.135000113.6L271P269-L271 VanDerWaalsContact C-N 3.26Å; P269-L271 PolarHBondContact O-N 3.25Å
270G78.5Confident93.3Very high81 Ų8156.4 Ų56.484%0.83531%0.312SS*.THydrogen-bonded Turntrans78.6-10172.300000116.5
271L87.9Confident93.4Very high71 Ų7156.4 Ų56.437%0.37231%0.312SS..PPolyproline II helixtrans-70.3139.3174.6-61.6-172.4000111.5R265 P266 L268 P269R265-L271 HydrophobicContact CB-CB 4.41Å; R265-L271 VanDerWaalsContact CD-O 3.29Å; R265-L271 WeakPolarHBondContact CD-O 3.4Å; R265-L271 PolarHBondContact NH1-O 3.13Å; P266-L271 HydrophobicContact CB-CD1 3.92Å; P266-L271 HydrophobicContact CG-CD1 3.84Å; L268-L271 HydrophobicContact CB-CD1 3.86Å; L268-L271 HydrophobicContact CB-CG 4.21Å; L268-L271 HydrophobicContact CD1-CD1 4.19Å; P269-L271 VanDerWaalsContact C-N 3.26Å; P269-L271 PolarHBondContact O-N 3.25Å
272K89.7Confident93.5Very high181 Ų18155.1 Ų55.179%0.78731%0.306SS*.PPolyproline II helixtrans-80.3159.2171.4-64.5-174.4178.9-175.80110.2R265R265-K272 WeakPolarHBondContact CB-O 3.31Å
273Y93.8Very high93.4Very high29 Ų2955.7 Ų55.711%0.11431%0.309CS..PPolyproline II helixtrans-73.2136.1166.8-68.6-70.5000110.1Q184 S186 F225 S232 W264 R265Q184-Y273 HydrophobicContact CB-CE1 4.44Å; Q184-Y273 VanDerWaalsContact CD-OH 3.28Å; Q184-Y273 HydrophobicContact CG-CE1 4.23Å; Q184-Y273 PolarHBondContact OE1-OH 3.4Å; S186-Y273 VanDerWaalsContact CB-CZ 3.49Å; F225-Y273 HydrophobicContact CB-CD2 3.41Å; F225-Y273 VanDerWaalsContact CB-CD2 3.41Å; F225-Y273 HydrophobicContact CB-CE2 3.74Å; F225-Y273 HydrophobicContact CB-CG 4.25Å; F225-Y273 HydrophobicContact CD2-CD2 4.04Å; F225-Y273 HydrophobicContact CD2-CG 4.21Å; F225-Y273 AromaticContact CG-CD2 3.83Å; F225-Y273 HydrophobicContact CG-CD2 3.83Å; F225-Y273 HydrophobicContact CG-CG 4.2Å; S232-Y273 WeakPolarHBondContact CB-OH 3.23Å; S232-Y273 PolarHBondContact OG-OH 3.06Å; W264-Y273 WeakPolarHBondContact O-CA 3.4Å; R265-Y273 HydrophobicContact CB-CD1 4.22Å; R265-Y273 HydrophobicContact CG-CD1 3.76Å; R265-Y273 HydrophobicContact CG-CE1 3.69Å; R265-Y273 PolarHBondContact NH2-OH 3.46Å
274E94.4Very high93.4Very high122 Ų12256.4 Ų56.457%0.5731%0.312SS*.EExtended strand (participates in β ladder)trans-112.8131.3173-66178.3166.100108.4G263 W264 I276G263-E274 CarbonylContact C-O 3.6Å; G263-E274 VanDerWaalsContact CA-O 3.31Å; G263-E274 WeakPolarHBondContact CA-O 3.38Å; W264-E274 VanDerWaalsContact CD1-O 3.29Å; W264-E274 PolarHBondContact N-O 3.14Å; W264-E274 PolarHBondContact O-N 3.38Å; E274-I276 PolarHBondContact O-N 2.77Å
275V96.3Very high93.3Very high29 Ų2957 Ų5718%0.17632%0.316CS..EExtended strand (participates in β ladder)trans-74.4127.9-178-177.90000110.7K157 L158 A159 F225 E261 D277K157-V275 HydrophobicContact CD-CG1 4.3Å; K157-V275 VanDerWaalsContact CE-CB 3.45Å; K157-V275 HydrophobicContact CG-CG1 4.07Å; L158-V275 WeakPolarHBondContact O-CG1 3.34Å; A159-V275 HydrophobicContact CB-CG1 3.86Å; F225-V275 HydrophobicContact CZ-CG2 4.16Å; E261-V275 HydrophobicContact CB-CG1 4.36Å; V275-D277 PolarHBondContact O-N 2.9Å
276I97.8Very high93.2Very high0 Ų057.4 Ų57.40%032%0.322CS..  trans-65.7122.4-172.8-55.6172.1000110.3K157 L158 L175 F185 V262 W264 E274 I281K157-I276 WeakPolarHBondContact CG-O 3.1Å; L158-I276 HydrophobicContact CB-CB 4.33Å; L158-I276 HydrophobicContact CD1-CB 3.96Å; L158-I276 HydrophobicContact CD1-CD1 4.16Å; L158-I276 HydrophobicContact CD1-CG2 3.99Å; L158-I276 HydrophobicContact CG-CB 4.17Å; L158-I276 HydrophobicContact CG-CG2 4.32Å; L158-I276 PolarHBondContact N-O 3.08Å; L175-I276 HydrophobicContact CD1-CD1 4.04Å; L175-I276 HydrophobicContact CD1-CG2 3.69Å; F185-I276 HydrophobicContact CD1-CD1 4.09Å; F185-I276 HydrophobicContact CE1-CD1 3.82Å; V262-I276 HydrophobicContact CG1-CD1 3.94Å; V262-I276 PolarHBondContact O-N 2.96Å; V262-I276 VanDerWaalsContact O-N 3.14Å; W264-I276 HydrophobicContact CB-CD1 4.15Å; W264-I276 HydrophobicContact CB-CG1 4.19Å; W264-I276 HydrophobicContact CD2-CD1 4.09Å; W264-I276 HydrophobicContact CD2-CG1 3.86Å; W264-I276 HydrophobicContact CE3-CD1 4.27Å; W264-I276 HydrophobicContact CE3-CG1 4.48Å; W264-I276 HydrophobicContact CG-CD1 4.07Å; W264-I276 HydrophobicContact CG-CG1 3.72Å; E274-I276 PolarHBondContact O-N 2.77Å; I276-I281 HydrophobicContact CG2-CG2 3.85Å
277D95.9Very high93.2Very high57 Ų5757.6 Ų57.631%0.30532%0.323SS..BIsolated β-bridgetrans-115.7-174.5-176.177.727.6000114.5K157 V275 A279 Y280K157-D277 HydrophobicContact CB-CB 4.48Å; K157-D277 HydrophobicContact CD-CB 4.3Å; K157-D277 HydrophobicContact CG-CB 4.07Å; V275-D277 PolarHBondContact O-N 2.9Å; D277-A279 PolarHBondContact O-N 3.43Å; D277-A279 WeakPolarHBondContact OD1-CB 2.91Å; D277-A279 PolarHBondContact OD1-N 2.7Å; D277-Y280 PolarHBondContact O-N 2.83Å
278S96.6Very high93.1Very high55 Ų5557.4 Ų57.439%0.38533%0.334SS..THydrogen-bonded Turntrans-53.8-23.9-17754.40000115.1G121 K156 Y280G121-S278 VanDerWaalsContact CA-O 3.3Å; G121-S278 WeakPolarHBondContact CA-O 3.33Å; G121-S278 WeakPolarHBondContact O-CB 3.32Å; K156-S278 WeakPolarHBondContact O-CA 3.47Å; K156-S278 WeakPolarHBondContact O-CB 3.33Å; K156-S278 PolarHBondContact O-N 2.79Å; S278-Y280 PolarHBondContact O-N 2.75Å
279A96.8Very high93.2Very high61 Ų6157.6 Ų57.650%0.50434%0.344SS..THydrogen-bonded Turntrans-65.3-22.8175.600000112.6D277D277-A279 PolarHBondContact O-N 3.43Å; D277-A279 WeakPolarHBondContact OD1-CB 2.91Å; D277-A279 PolarHBondContact OD1-N 2.7Å
280Y97.9Very high93.7Very high65 Ų6554.4 Ų54.426%0.25532%0.319SS..SBendtrans-121.44.9-166-47.7-53.5000114.1L175 H176 Y178 W264 D277 S278L175-Y280 CarbonylContact C-O 3.27Å; L175-Y280 WeakPolarHBondContact CA-O 3.45Å; H176-Y280 PolarHBondContact N-O 2.95Å; Y178-Y280 HydrophobicContact CD1-CE1 4.28Å; Y178-Y280 HydrophobicContact CG-CE1 4.33Å; W264-Y280 HydrophobicContact CH2-CD1 4.31Å; W264-Y280 HydrophobicContact CH2-CD2 4.44Å; W264-Y280 AromaticContact CH2-CG 3.93Å; W264-Y280 HydrophobicContact CH2-CG 3.93Å; W264-Y280 HydrophobicContact CZ2-CD1 4.05Å; W264-Y280 AromaticContact CZ2-CD2 3.59Å; W264-Y280 HydrophobicContact CZ2-CD2 3.59Å; W264-Y280 HydrophobicContact CZ2-CE2 4.16Å; W264-Y280 AromaticContact CZ2-CG 3.52Å; W264-Y280 HydrophobicContact CZ2-CG 3.52Å; D277-Y280 PolarHBondContact O-N 2.83Å; S278-Y280 PolarHBondContact O-N 2.75Å
281I98.3Very high94.2Very high2 Ų255.7 Ų55.71%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-126.2152.7-179.662-179.4000112.8G121 A123 L158 F174 F246 I276G121-I281 PolarHBondContact N-O 2.92Å; A123-I281 HydrophobicContact CB-CD1 4.05Å; L158-I281 HydrophobicContact CD1-CG2 4.2Å; L158-I281 HydrophobicContact CD2-CD1 4.35Å; L158-I281 HydrophobicContact CD2-CG2 4.35Å; L158-I281 HydrophobicContact CG-CG2 4.21Å; F174-I281 CarbonylContact O-C 3.24Å; F174-I281 WeakPolarHBondContact O-CA 3.21Å; F246-I281 HydrophobicContact CE1-CG2 4.16Å; F246-I281 HydrophobicContact CZ-CG2 4.28Å; I276-I281 HydrophobicContact CG2-CG2 3.85Å
282S98.2Very high94.2Very high0 Ų053.2 Ų53.20%029%0.289CS..EExtended strand (participates in β ladder)trans-143.7152.3166.968.70000112.5W115 Y119 Q122 G173 F174 H176W115-S282 PolarHBondContact NE1-OG 2.96Å; Y119-S282 CarbonylContact O-C 3.47Å; Y119-S282 WeakPolarHBondContact O-CA 3.38Å; Y119-S282 WeakPolarHBondContact O-CB 3.33Å; Q122-S282 CarbonylContact O-C 3.48Å; Q122-S282 WeakPolarHBondContact O-CA 3.26Å; Q122-S282 PolarHBondContact O-N 2.89Å; G173-S282 WeakPolarHBondContact CA-O 3.43Å; F174-S282 PolarHBondContact N-O 2.84Å; F174-S282 PolarHBondContact O-N 3.2Å; H176-S282 WeakPolarHBondContact NE2-CB 3.34Å; H176-S282 PolarHBondContact NE2-OG 3.34Å
283L97.4Very high94.1Very high13 Ų1346.2 Ų46.27%0.06826%0.26CS..  trans-54148.3175.2-54.5175.1000111.5W115 Y119 Q122 N124 T154 F174W115-L283 VanDerWaalsContact CD1-O 3.29Å; W115-L283 PolarHBondContact NE1-O 2.99Å; Y119-L283 HydrophobicContact CD1-CD1 4.29Å; Y119-L283 HydrophobicContact CD2-CB 4.29Å; Y119-L283 HydrophobicContact CG-CB 4.06Å; Y119-L283 HydrophobicContact CG-CD1 4.45Å; Y119-L283 PolarHBondContact O-N 3.4Å; Q122-L283 HydrophobicContact CB-CD2 3.65Å; Q122-L283 HydrophobicContact CB-CG 4.12Å; Q122-L283 PolarHBondContact O-N 3.26Å; N124-L283 WeakPolarHBondContact OD1-CA 3.38Å; T154-L283 HydrophobicContact CG2-CD2 3.63Å; F174-L283 WeakPolarHBondContact CD2-O 3.32Å
284Y95.7Very high93.9Very high14 Ų1447.1 Ų47.16%0.05527%0.271CS..SBendtrans-71.3-47163.8-178.1-102.9000110.1Q110 L113 N124 F172 F174 P203 Y245 H297 P299Q110-Y284 PolarHBondContact NE2-OH 2.97Å; L113-Y284 HydrophobicContact CD1-CD1 4.2Å; L113-Y284 HydrophobicContact CD1-CE1 3.69Å; L113-Y284 HydrophobicContact CG-CE1 4.46Å; N124-Y284 PolarHBondContact OD1-N 3.08Å; F172-Y284 HydrophobicContact CD2-CD1 4.43Å; F172-Y284 HydrophobicContact CD2-CG 4.16Å; F172-Y284 AromaticContact CE2-CD1 4Å; F172-Y284 HydrophobicContact CE2-CD1 4Å; F172-Y284 HydrophobicContact CE2-CG 4.13Å; F174-Y284 HydrophobicContact CE1-CD2 4.4Å; F174-Y284 AromaticContact CE2-CD2 3.86Å; F174-Y284 HydrophobicContact CE2-CD2 3.86Å; F174-Y284 AromaticContact CZ-CD2 3.64Å; F174-Y284 HydrophobicContact CZ-CD2 3.64Å; F174-Y284 AromaticContact CZ-CE2 3.98Å; F174-Y284 HydrophobicContact CZ-CE2 3.98Å; P203-Y284 HydrophobicContact CG-CE2 4.35Å; Y245-Y284 AromaticContact CD2-CD2 3.86Å; Y245-Y284 HydrophobicContact CD2-CD2 3.86Å; Y245-Y284 HydrophobicContact CD2-CE2 4.14Å; Y245-Y284 AromaticContact CE2-CD2 3.83Å; Y245-Y284 HydrophobicContact CE2-CD2 3.83Å; Y245-Y284 HydrophobicContact CE2-CE2 4.14Å; Y245-Y284 HydrophobicContact CE2-CG 4.47Å; Y284-H297 WeakPolarHBondContact CE1-O 3.49Å; Y284-P299 HydrophobicContact CD1-CG 4.1Å; Y284-P299 HydrophobicContact CE1-CB 4.04Å; Y284-P299 HydrophobicContact CE1-CG 3.96Å; Y284-P299 HydrophobicContact CE2-CB 4.46Å
285T94.7Very high93.8Very high17 Ų1742.6 Ų42.610%0.10425%0.251CS..SBendtrans-151.9158.3173.5-173.70000110L113 N124 E287 H297L113-T285 HydrophobicContact CD1-CG2 4.04Å; N124-T285 PolarHBondContact ND2-O 2.97Å; N124-T285 PolarHBondContact OD1-O 3.34Å; T285-E287 HydrophobicContact CG2-CG 3.94Å; T285-H297 HydrophobicContact CG2-CB 4.33Å
286D93.5Very high93.5Very high64 Ų6446.4 Ų46.434%0.34227%0.271SS..  trans-71.7141.2161-171.42.5000109.3Y119 S288Y119-D286 HydrophobicContact CE1-CB 4.22Å; D286-S288 VanDerWaalsContact OD1-CB 3.23Å; D286-S288 WeakPolarHBondContact OD1-CB 3.25Å; D286-S288 PolarHBondContact OD1-N 3.05Å; D286-S288 PolarHBondContact OD1-OG 3.1Å; D286-S288 PolarHBondContact OD2-OG 3.22Å
287E93.6Very high93.1Very high14 Ų1447.2 Ų47.27%0.06527%0.274CS..  trans-127.2-2177.9-60.9-175.387.800112.4N124 H126 R152 T285 S289 L290 H297N124-E287 PolarHBondContact ND2-OE2 3.28Å; H126-E287 IonicContact CD2-OE1 2.63Å; H126-E287 IonicContact CD2-OE2 3.71Å; H126-E287 IonicContact CE1-OE1 2.82Å; H126-E287 VanDerWaalsContact NE2-CD 3.29Å; H126-E287 IonicContact NE2-OE1 2.74Å; H126-E287 PolarHBondContact NE2-OE1 3.39Å; H126-E287 IonicContact NE2-OE2 3.64Å; H126-E287 PolarHBondContact NE2-OE2 3.01Å; R152-E287 WeakPolarHBondContact CD-OE1 3.33Å; R152-E287 IonicContact NE-OE1 3.02Å; T285-E287 HydrophobicContact CG2-CG 3.94Å; E287-S289 PolarHBondContact O-N 2.8Å; E287-S289 VanDerWaalsContact O-N 3.12Å; E287-L290 HydrophobicContact CB-CD1 4.5Å; E287-L290 PolarHBondContact O-N 2.66Å; E287-H297 IonicContact OE1-CD2 3.64Å; E287-H297 IonicContact OE1-CE1 2.72Å; E287-H297 IonicContact OE1-NE2 2.89Å; E287-H297 PolarHBondContact OE1-NE2 2.83Å
288S89.9Confident93Very high102 Ų10244.7 Ų44.771%0.71326%0.261SS*.THydrogen-bonded Turntrans-64.2-20.4-16760.80000115.4D286D286-S288 VanDerWaalsContact OD1-CB 3.23Å; D286-S288 WeakPolarHBondContact OD1-CB 3.25Å; D286-S288 PolarHBondContact OD1-N 3.05Å; D286-S288 PolarHBondContact OD1-OG 3.1Å; D286-S288 PolarHBondContact OD2-OG 3.22Å
289S89.9Confident92.8Very high102 Ų10242.2 Ų42.271%0.71324%0.243SC*.THydrogen-bonded Turntrans-106.11.1177.257.20000113.9E287E287-S289 PolarHBondContact O-N 2.8Å; E287-S289 VanDerWaalsContact O-N 3.12Å
290L91.2Very high92.5Very high63 Ų6339.6 Ų39.633%0.3322%0.22SC..  trans-93.6125.3-172.3-58.8-177.3000112E287 H297E287-L290 HydrophobicContact CB-CD1 4.5Å; E287-L290 PolarHBondContact O-N 2.66Å; L290-H297 VanDerWaalsContact CD1-CE1 3.45Å; L290-H297 WeakPolarHBondContact CD1-CE1 3.42Å; L290-H297 WeakPolarHBondContact CD1-ND1 3.11Å
291K89.5Confident92.2Very high108 Ų10836.5 Ų36.547%0.4721%0.208SC..  trans-68.3162.4171.1-65-61.3-175.1-179.60111.3R152 N293 S294 E935R152-K291 PolarHBondContact NH1-O 3.07Å; K291-N293 VanDerWaalsContact C-N 3.32Å; K291-N293 PolarHBondContact O-N 2.99Å; K291-S294 VanDerWaalsContact O-CB 3.31Å; K291-S294 WeakPolarHBondContact O-CB 3.38Å; K291-S294 PolarHBondContact O-N 2.84Å; K291-E935 WeakPolarHBondContact CE-O 3.16Å; K291-E935 PolarHBondContact NZ-O 2.93Å
292M88.1Confident91.8Very high19 Ų1937.7 Ų37.79%0.09422%0.215CC..THydrogen-bonded Turntrans-58.4-40.2-169.7-178.8-119.659.700113.3Y148 R152 S294 A903 R904 Q907 D936 M937Y148-M292 HydrophobicContact CD1-CE 3.88Å; Y148-M292 HydrophobicContact CD1-SD 4.16Å; Y148-M292 HydrophobicContact CE1-CE 4.06Å; R152-M292 PolarHBondContact NH1-O 2.84Å; R152-M292 PolarHBondContact NH2-O 3.06Å; M292-S294 VanDerWaalsContact C-N 3.27Å; M292-S294 PolarHBondContact O-N 3.42Å; M292-A903 HydrophobicContact CB-CB 4.25Å; M292-A903 HydrophobicContact CE-CB 3.9Å; M292-A903 HydrophobicContact CG-CB 4.42Å; M292-A903 HydrophobicContact SD-CB 3.5Å; M292-A903 VanDerWaalsContact SD-CB 3.5Å; M292-R904 HydrophobicContact CG-CG 3.85Å; M292-R904 WeakPolarHBondContact SD-CA 3.43Å; M292-R904 HydrophobicContact SD-CB 3.9Å; M292-R904 HydrophobicContact SD-CG 3.19Å; M292-R904 WeakPolarHBondContact SD-CG 3.26Å; M292-R904 PolarHBondContact SD-N 3.39Å; M292-Q907 HydrophobicContact CE-CB 4Å; M292-Q907 HydrophobicContact CE-CG 4.42Å; M292-D936 WeakPolarHBondContact CB-O 3.48Å; M292-D936 PolarHBondContact N-O 3.39Å; M292-M937 HydrophobicContact CE-SD 3.97Å
293N85.9Confident91.4Very high35 Ų3537.7 Ų37.719%0.18722%0.215CC..THydrogen-bonded Turntrans-71.6-17.5-179.560.6-20.9000114.1K291 V295 M937K291-N293 VanDerWaalsContact C-N 3.32Å; K291-N293 PolarHBondContact O-N 2.99Å; N293-V295 PolarHBondContact O-N 3.16Å; N293-M937 HydrophobicContact CB-CG 4.05Å; N293-M937 HydrophobicContact CB-SD 3.62Å
294S90.7Very high90.9Very high48 Ų4837.3 Ų37.334%0.33621%0.213SC..  trans-68.1103.8166.2-59.90000108.4R152 K291 M292 H297R152-S294 PolarHBondContact NH1-O 3.43Å; R152-S294 PolarHBondContact NH2-O 3.19Å; K291-S294 VanDerWaalsContact O-CB 3.31Å; K291-S294 WeakPolarHBondContact O-CB 3.38Å; K291-S294 PolarHBondContact O-N 2.84Å; M292-S294 VanDerWaalsContact C-N 3.27Å; M292-S294 PolarHBondContact O-N 3.42Å; S294-H297 PolarHBondContact O-CE1 3.23Å
295V91.3Very high90.2Very high26 Ų2638 Ų3816%0.15822%0.217CC..  trans-123.9-10.8-179.3-62.40000114.1L147 Y148 N293 H297 I298L147-V295 HydrophobicContact CB-CB 4.39Å; L147-V295 HydrophobicContact CB-CG1 4.19Å; L147-V295 HydrophobicContact CD2-CB 4.22Å; L147-V295 WeakPolarHBondContact O-CG1 3.31Å; Y148-V295 HydrophobicContact CD1-CG1 3.8Å; Y148-V295 HydrophobicContact CE1-CG1 3.51Å; N293-V295 PolarHBondContact O-N 3.16Å; V295-H297 PolarHBondContact O-N 3.25Å; V295-I298 HydrophobicContact CB-CD1 4.13Å; V295-I298 HydrophobicContact CG1-CD1 4.2Å; V295-I298 WeakPolarHBondContact O-CB 3.33Å; V295-I298 WeakPolarHBondContact O-CG1 3.28Å; V295-I298 PolarHBondContact O-N 2.82Å
296D89.9Confident88.6Confident110 Ų11040.4 Ų40.459%0.58823%0.228SC*.THydrogen-bonded Turntrans-52.2-23.4-178.2-112.638.4000115.8K111K111-D296 WeakPolarHBondContact CB-O 3.47Å; K111-D296 HydrophobicContact CD-CB 4.16Å; K111-D296 WeakPolarHBondContact CD-O 3.44Å; K111-D296 IonicContact NZ-OD2 3.62Å; K111-D296 PolarHBondContact NZ-OD2 3.46Å
297H91.2Very high86.7Confident16 Ų1644.7 Ų44.77%0.07425%0.246CC..THydrogen-bonded Turntrans-93.5-10.1-178.265.3-81.5000113.3L113 Y284 T285 E287 L290 S294 V295 P299L113-H297 HydrophobicContact CD1-CB 3.94Å; Y284-H297 WeakPolarHBondContact CE1-O 3.49Å; T285-H297 HydrophobicContact CG2-CB 4.33Å; E287-H297 IonicContact OE1-CD2 3.64Å; E287-H297 IonicContact OE1-CE1 2.72Å; E287-H297 IonicContact OE1-NE2 2.89Å; E287-H297 PolarHBondContact OE1-NE2 2.83Å; L290-H297 VanDerWaalsContact CD1-CE1 3.45Å; L290-H297 WeakPolarHBondContact CD1-CE1 3.42Å; L290-H297 WeakPolarHBondContact CD1-ND1 3.11Å; S294-H297 PolarHBondContact O-CE1 3.23Å; V295-H297 PolarHBondContact O-N 3.25Å; H297-P299 WeakPolarHBondContact O-CD 3.44Å
298I93.1Very high84.3Confident5 Ų545.8 Ų45.83%0.02625%0.252CS..SBendtrans-78.6116.8-173-59.9179.9000108.8L147 V295 Q300L147-I298 HydrophobicContact CD2-CB 4.41Å; L147-I298 HydrophobicContact CD2-CG2 4.49Å; L147-I298 WeakPolarHBondContact O-CD1 3.37Å; V295-I298 HydrophobicContact CB-CD1 4.13Å; V295-I298 HydrophobicContact CG1-CD1 4.2Å; V295-I298 WeakPolarHBondContact O-CB 3.33Å; V295-I298 WeakPolarHBondContact O-CG1 3.28Å; V295-I298 PolarHBondContact O-N 2.82Å; I298-Q300 PolarHBondContact O-N 3.12Å; I298-Q300 PolarHBondContact O-NE2 3.49Å
299P92.4Very high81.9Confident2 Ų242.5 Ų42.51%0.01323%0.228CC..  trans-63.9131.7-175.725.2-32.7000110.6R170 F172 P203 Y245 Y284 H297 T301R170-P299 PolarHBondContact NH1-O 3.05Å; R170-P299 PolarHBondContact NH2-O 1.96Å; F172-P299 HydrophobicContact CD2-CG 3.72Å; F172-P299 HydrophobicContact CE2-CG 3.74Å; P203-P299 HydrophobicContact CB-CB 4.02Å; P203-P299 HydrophobicContact CG-CB 4.21Å; Y245-P299 HydrophobicContact CE2-CB 4.41Å; Y245-P299 HydrophobicContact CE2-CG 4.15Å; Y245-P299 WeakPolarHBondContact OH-CG 3.24Å; Y284-P299 HydrophobicContact CD1-CG 4.1Å; Y284-P299 HydrophobicContact CE1-CB 4.04Å; Y284-P299 HydrophobicContact CE1-CG 3.96Å; Y284-P299 HydrophobicContact CE2-CB 4.46Å; H297-P299 WeakPolarHBondContact O-CD 3.44Å; P299-T301 HydrophobicContact CB-CG2 4.33Å
300Q91.1Very high79.6Confident6 Ų640.7 Ų40.73%0.02822%0.219CC..  trans-98.3114.2176.5-57.1-54.8-68.100108.5L106 K109 L147 I298 H305L106-Q300 HydrophobicContact CD2-CB 3.75Å; K109-Q300 HydrophobicContact CB-CB 4.45Å; K109-Q300 HydrophobicContact CB-CG 3.97Å; K109-Q300 HydrophobicContact CD-CG 4.46Å; L147-Q300 VanDerWaalsContact CD2-NE2 3.26Å; I298-Q300 PolarHBondContact O-N 3.12Å; I298-Q300 PolarHBondContact O-NE2 3.49Å; Q300-H305 PolarHBondContact OE1-NE2 2.65Å
301T91Very high77.1Confident0 Ų045.6 Ų45.60%024%0.241CC..  trans-126.5160.9-169.259.20000111.9R170 P203 Y245 E247 P299 A303 S304 H305R170-T301 PolarHBondContact NH2-OG1 3.49Å; P203-T301 HydrophobicContact CB-CG2 3.78Å; P203-T301 WeakPolarHBondContact O-CG2 3.26Å; Y245-T301 HydrophobicContact CE1-CG2 3.97Å; E247-T301 VanDerWaalsContact CD-OG1 3.28Å; E247-T301 PolarHBondContact OE1-OG1 3.37Å; E247-T301 WeakPolarHBondContact OE2-CB 3.47Å; E247-T301 VanDerWaalsContact OE2-CG2 3.26Å; E247-T301 WeakPolarHBondContact OE2-CG2 3.04Å; E247-T301 PolarHBondContact OE2-OG1 2.81Å; P299-T301 HydrophobicContact CB-CG2 4.33Å; T301-A303 PolarHBondContact O-N 2.89Å; T301-S304 PolarHBondContact O-N 2.79Å; T301-S304 PolarHBondContact OG1-N 3.44Å; T301-S304 PolarHBondContact OG1-OG 3.25Å; T301-H305 PolarHBondContact O-N 2.87Å; T301-H305 VanDerWaalsContact O-N 3.09Å
302L88.7Confident74.5Confident28 Ų2845.6 Ų45.615%0.14724%0.241CC..THydrogen-bonded Turntrans-57.6-35.5170.8-69172.8000111.4I102 L106 W196 S304 H305 I306I102-L302 HydrophobicContact CB-CD2 4.45Å; I102-L302 HydrophobicContact CG2-CD2 3.63Å; L106-L302 HydrophobicContact CD1-CD2 3.89Å; L106-L302 HydrophobicContact CD1-CG 4.08Å; W196-L302 HydrophobicContact CZ3-CB 3.92Å; L302-S304 PolarHBondContact O-N 2.96Å; L302-H305 CarbonylContact O-C 3.56Å; L302-H305 PolarHBondContact O-N 3.5Å; L302-H305 VanDerWaalsContact O-N 3.15Å; L302-I306 WeakPolarHBondContact O-CG1 3.49Å; L302-I306 PolarHBondContact O-N 3.46Å
303A90.1Very high72.2Confident0 Ų050.8 Ų50.80%026%0.259CS..THydrogen-bonded Turntrans-54.6-39.3173.200000112.3R140 W196 E247 L249 T301R140-A303 VanDerWaalsContact CZ-O 3.25Å; R140-A303 PolarHBondContact NE-O 3.14Å; R140-A303 PolarHBondContact NH2-O 2.9Å; W196-A303 HydrophobicContact CB-CB 4.28Å; W196-A303 HydrophobicContact CD2-CB 3.38Å; W196-A303 HydrophobicContact CE3-CB 3.79Å; W196-A303 HydrophobicContact CG-CB 3.57Å; W196-A303 HydrophobicContact CZ2-CB 4.29Å; W196-A303 HydrophobicContact CZ3-CB 4.4Å; E247-A303 HydrophobicContact CG-CB 4.3Å; L249-A303 HydrophobicContact CD1-CB 4.03Å; L249-A303 WeakPolarHBondContact CD1-O 3.45Å; T301-A303 PolarHBondContact O-N 2.89Å
304S88.1Confident69.5Low4 Ų454 Ų543%0.02828%0.282CS..THydrogen-bonded Turntrans-81.1-28.8177.8-65.40000114R170 E247 T301 L302R170-S304 VanDerWaalsContact CZ-OG 3.29Å; R170-S304 PolarHBondContact NE-OG 2.86Å; R170-S304 PolarHBondContact NH2-OG 2.88Å; R170-S304 VanDerWaalsContact NH2-OG 3.13Å; E247-S304 PolarHBondContact OE1-OG 2.87Å; E247-S304 VanDerWaalsContact OE1-OG 3.11Å; T301-S304 PolarHBondContact O-N 2.79Å; T301-S304 PolarHBondContact OG1-N 3.44Å; T301-S304 PolarHBondContact OG1-OG 3.25Å; L302-S304 PolarHBondContact O-N 2.96Å
305H80.6Confident66.6Low30 Ų3061.6 Ų61.614%0.13931%0.312CS..  trans-128.454.4-165.5-65.4-76.7000113.5L106 Q300 T301 L302 H307L106-H305 HydrophobicContact CD2-CB 4.25Å; Q300-H305 PolarHBondContact OE1-NE2 2.65Å; T301-H305 PolarHBondContact O-N 2.87Å; T301-H305 VanDerWaalsContact O-N 3.09Å; L302-H305 CarbonylContact O-C 3.56Å; L302-H305 PolarHBondContact O-N 3.5Å; L302-H305 VanDerWaalsContact O-N 3.15Å; H305-H307 PolarHBondContact O-N 2.92Å
306I60.9Low63.8Low67 Ų6763.9 Ų63.934%0.34434%0.341SS..SBendtrans-64.5-21.6-177.9-64.3-171.3000113.3W196 L302W196-I306 HydrophobicContact CH2-CD1 4.04Å; W196-I306 HydrophobicContact CH2-CG1 4.39Å; W196-I306 HydrophobicContact CZ2-CD1 3.77Å; W196-I306 HydrophobicContact CZ2-CG1 4.47Å; L302-I306 WeakPolarHBondContact O-CG1 3.49Å; L302-I306 PolarHBondContact O-N 3.46Å
307H54.3Low61.2Low153 Ų15366.1 Ų66.171%0.70835%0.352SS*.SBendtrans-122.8145.8171-60.7-59.8000110.9H305H305-H307 PolarHBondContact O-N 2.92Å
308L42.5Very low58.8Low37 Ų3775.1 Ų75.119%0.19439%0.394CS..  trans-56.9132178.6-81.8163.6000112.1D98 I102D98-L308 HydrophobicContact CB-CD1 4.42Å; I102-L308 HydrophobicContact CD1-CD2 4.48Å; I102-L308 HydrophobicContact CD1-CG 4.16Å; I102-L308 HydrophobicContact CG1-CD2 3.53Å; I102-L308 HydrophobicContact CG1-CG 3.74Å
309P40.3Very low56Low34 Ų3478 Ų7822%0.22143%0.425CS..  trans-54138.9165.9-23.733.5000110.9F105 E311 F312F105-P309 HydrophobicContact CE1-CG 4.12Å; F105-P309 HydrophobicContact CZ-CG 4.06Å; P309-E311 PolarHBondContact O-N 2.84Å; P309-E311 VanDerWaalsContact O-N 3.13Å; P309-F312 HydrophobicContact CB-CD2 4.47Å; P309-F312 PolarHBondContact O-N 3.43Å; P309-F312 VanDerWaalsContact O-N 3.09Å
310A41.3Very low53.2Low63 Ų6385.6 Ų85.652%0.52147%0.465SS..G310 helixtrans-56.7-33.8-173.900000113.2F312 R313A310-F312 PolarHBondContact O-N 3.26Å; A310-F312 VanDerWaalsContact O-N 3.15Å; A310-R313 WeakPolarHBondContact O-CB 3.18Å; A310-R313 PolarHBondContact O-N 2.83Å
311E38.1Very low50.6Low167 Ų16794.3 Ų94.378%0.7851%0.508SS*.G310 helixtrans-58.4-22.8178.9-55.7177.914200114.6P309P309-E311 PolarHBondContact O-N 2.84Å; P309-E311 VanDerWaalsContact O-N 3.13Å
312F36.3Very low48.2Very low107 Ų10799.4 Ų99.447%0.46954%0.535SS..G310 helixtrans-103.97.9-177.6-73.5-89.1000113.6F105 P309 A310F105-F312 HydrophobicContact CD2-CD2 4.11Å; F105-F312 HydrophobicContact CD2-CE1 4.3Å; F105-F312 AromaticContact CD2-CE2 3.77Å; F105-F312 HydrophobicContact CD2-CE2 3.77Å; F105-F312 AromaticContact CD2-CZ 3.87Å; F105-F312 HydrophobicContact CD2-CZ 3.87Å; F105-F312 HydrophobicContact CE2-CD2 4.03Å; F105-F312 AromaticContact CE2-CE2 3.51Å; F105-F312 HydrophobicContact CE2-CE2 3.51Å; F105-F312 AromaticContact CE2-CZ 3.94Å; F105-F312 HydrophobicContact CE2-CZ 3.94Å; P309-F312 HydrophobicContact CB-CD2 4.47Å; P309-F312 PolarHBondContact O-N 3.43Å; P309-F312 VanDerWaalsContact O-N 3.09Å; A310-F312 PolarHBondContact O-N 3.26Å; A310-F312 VanDerWaalsContact O-N 3.15Å
313R39Very low45.9Very low129 Ų129104.1 Ų104.149%0.48757%0.565SS.*SBendtrans-79.2122173.7-63.5-177.6-177.7-170.7-1.3109.9A310 Q315A310-R313 WeakPolarHBondContact O-CB 3.18Å; A310-R313 PolarHBondContact O-N 2.83Å; R313-Q315 PolarHBondContact O-N 2.61Å
314P29.3Very low44.2Very low102 Ų102109.6 Ų109.666%0.66260%0.6SS**  trans-67.3127.817527.9-33.1000110.3G316P314-G316 PolarHBondContact O-N 2.83Å
315Q29.9Very low43.1Very low207 Ų207112 Ų11297%0.96761%0.611SS**THydrogen-bonded Turntrans-67.9101.2172.9-68167.9-25.400108.9R313R313-Q315 PolarHBondContact O-N 2.61Å
316G32.9Very low42.6Very low74 Ų74113.5 Ų113.576%0.76364%0.635SS**THydrogen-bonded Turntrans153.93.8179.600000117.9P314P314-G316 PolarHBondContact O-N 2.83Å
317L35.2Very low43.6Very low157 Ų157110.5 Ų110.582%0.82262%0.62SS**  trans-125.882.6173.9-74.8170.8000111G319L317-G319 PolarHBondContact O-N 2.85Å
318E39.5Very low45Very low206 Ų206105.4 Ų105.496%0.96360%0.598SS**  trans-81.2105.2160.2-66.9-174.913600108.2
319G35.2Very low46.8Very low65 Ų65104.2 Ų104.267%0.6759%0.591SS**  trans176.5110.1-178.600000112.9L317L317-G319 PolarHBondContact O-N 2.85Å
320D33.6Very low48.9Very low161 Ų161105.3 Ų105.386%0.86160%0.595SS**SBendtrans66145.6171.1-72.2-34.5000121I322D320-I322 PolarHBondContact O-N 3.43Å
321M35.5Very low50.9Low189 Ų189108.3 Ų108.393%0.93159%0.593SS**SBendtrans58.428.5163.2-62.8-158.317200120.1
322I40.8Very low53.1Low107 Ų107106.4 Ų106.455%0.54960%0.595SS.*  trans-121.7114.1137.9-58.6178.2000107.6D320 P324D320-I322 PolarHBondContact O-N 3.43Å; I322-P324 VanDerWaalsContact O-CD 3.27Å; I322-P324 WeakPolarHBondContact O-CD 3.29Å
323T40.3Very low55.4Low128 Ų128102 Ų10279%0.78558%0.577SS**  trans-64.8114.1161.346.90000107.1H325T323-H325 PolarHBondContact O-N 3.44Å
324P55.2Low57.8Low115 Ų11597.8 Ų97.875%0.74757%0.566SS**  trans-58.5131.5178.324.9-33.2000108.5I322 G326I322-P324 VanDerWaalsContact O-CD 3.27Å; I322-P324 WeakPolarHBondContact O-CD 3.29Å; P324-G326 PolarHBondContact O-N 2.82Å
325H64.4Low60.6Low55 Ų5593.5 Ų93.526%0.25554%0.536SS..  trans-57.3125.4179.9178.1-77.5000108.5T323 A327 L330 H393T323-H325 PolarHBondContact O-N 3.44Å; H325-A327 WeakPolarHBondContact ND1-CB 3.49Å; H325-A327 PolarHBondContact O-N 3.26Å; H325-L330 HydrophobicContact CB-CD1 3.73Å; H325-H393 AromaticContact CE1-CD2 3.7Å; H325-H393 AromaticContact CE1-NE2 3.85Å
326G70.6Confident63.3Low61 Ų6185 Ų8563%0.62950%0.497SS*.SBendtrans-70.826.4-164.700000116.4P324P324-G326 PolarHBondContact O-N 2.82Å
327A82.3Confident66Low4 Ų485.4 Ų85.43%0.03349%0.485CS..  trans-92.7118.8174.200000109.2H325 M329 L330 H393 P1024H325-A327 WeakPolarHBondContact ND1-CB 3.49Å; H325-A327 PolarHBondContact O-N 3.26Å; A327-M329 HydrophobicContact CB-CG 4.17Å; A327-M329 PolarHBondContact O-N 3.05Å; A327-M329 VanDerWaalsContact O-N 3.11Å; A327-L330 HydrophobicContact CB-CD1 4.47Å; A327-L330 HydrophobicContact CB-CG 4.45Å; A327-L330 PolarHBondContact O-N 3.02Å; A327-L330 VanDerWaalsContact O-N 3.17Å; A327-H393 WeakPolarHBondContact CB-CE1 3.39Å; A327-H393 WeakPolarHBondContact CB-ND1 3.34Å; A327-P1024 HydrophobicContact CB-CG 4.03Å
328D82.3Confident68.6Low45 Ų4578.1 Ų78.124%0.24145%0.447CS..G310 helixtrans-55.8-32.2-178.9-78.4-73.6000112.9L330 R331 F388 T392D328-L330 PolarHBondContact O-N 2.94Å; D328-R331 VanDerWaalsContact O-CB 3.23Å; D328-R331 WeakPolarHBondContact O-CB 3.39Å; D328-R331 VanDerWaalsContact O-CD 3.3Å; D328-R331 WeakPolarHBondContact O-CD 3.45Å; D328-R331 WeakPolarHBondContact O-CG 3.48Å; D328-R331 PolarHBondContact O-N 3.2Å; D328-R331 VanDerWaalsContact OD1-CD 3.26Å; D328-R331 WeakPolarHBondContact OD1-CD 3.38Å; D328-R331 IonicContact OD1-CZ 3.83Å; D328-R331 IonicContact OD1-NE 3.83Å; D328-R331 IonicContact OD1-NH1 2.9Å; D328-R331 PolarHBondContact OD1-NH1 2.82Å; D328-F388 HydrophobicContact CB-CB 3.96Å; D328-F388 HydrophobicContact CB-CD1 4.1Å; D328-F388 HydrophobicContact CB-CG 4.42Å; D328-F388 WeakPolarHBondContact O-CB 3.34Å; D328-T392 PolarHBondContact OD2-OG1 2.73Å
329M81.1Confident71Confident13 Ų1370.4 Ų70.46%0.06441%0.409CS..G310 helixtrans-61.4-7.4179.974.1179.8-6300116.1A327 F388 L391 M1013 P1024 W1028 S1084A327-M329 HydrophobicContact CB-CG 4.17Å; A327-M329 PolarHBondContact O-N 3.05Å; A327-M329 VanDerWaalsContact O-N 3.11Å; M329-F388 WeakPolarHBondContact CA-O 3.5Å; M329-F388 WeakPolarHBondContact CB-O 3.46Å; M329-F388 PolarHBondContact N-O 3.14Å; M329-L391 HydrophobicContact CG-CD2 4.45Å; M329-L391 HydrophobicContact SD-CD2 3.44Å; M329-L391 WeakPolarHBondContact SD-CD2 3.4Å; M329-M1013 HydrophobicContact CE-SD 3.66Å; M329-M1013 HydrophobicContact SD-CE 4.39Å; M329-M1013 HydrophobicContact SD-SD 3.52Å; M329-P1024 HydrophobicContact CG-CG 4.06Å; M329-P1024 HydrophobicContact SD-CB 3.87Å; M329-P1024 HydrophobicContact SD-CG 3.74Å; M329-W1028 HydrophobicContact CE-CH2 4.12Å; M329-W1028 HydrophobicContact CE-CZ2 4.33Å; M329-S1084 VanDerWaalsContact O-CB 3.26Å; M329-S1084 WeakPolarHBondContact O-CB 3.47Å
330L83.6Confident73.7Confident56 Ų5671 Ų7129%0.29340%0.403SS..G310 helixtrans-94.5-4174.5-63179000113.1H325 A327 D328 P1021 L1022 P1024H325-L330 HydrophobicContact CB-CD1 3.73Å; A327-L330 HydrophobicContact CB-CD1 4.47Å; A327-L330 HydrophobicContact CB-CG 4.45Å; A327-L330 PolarHBondContact O-N 3.02Å; A327-L330 VanDerWaalsContact O-N 3.17Å; D328-L330 PolarHBondContact O-N 2.94Å; L330-P1021 WeakPolarHBondContact CD2-O 3.42Å; L330-L1022 WeakPolarHBondContact CD1-O 3.49Å; L330-P1024 HydrophobicContact CD1-CG 4.16Å; L330-P1024 HydrophobicContact CD2-CG 3.97Å; L330-P1024 HydrophobicContact CG-CG 4.03Å
331R83.6Confident76.6Confident126 Ų12664.6 Ų64.648%0.47537%0.37SS..SBendtrans-71.2138.9177.8-64.6165.265.3162.61.4109.2D328 D333 F388D328-R331 VanDerWaalsContact O-CB 3.23Å; D328-R331 WeakPolarHBondContact O-CB 3.39Å; D328-R331 VanDerWaalsContact O-CD 3.3Å; D328-R331 WeakPolarHBondContact O-CD 3.45Å; D328-R331 WeakPolarHBondContact O-CG 3.48Å; D328-R331 PolarHBondContact O-N 3.2Å; D328-R331 VanDerWaalsContact OD1-CD 3.26Å; D328-R331 WeakPolarHBondContact OD1-CD 3.38Å; D328-R331 IonicContact OD1-CZ 3.83Å; D328-R331 IonicContact OD1-NE 3.83Å; D328-R331 IonicContact OD1-NH1 2.9Å; D328-R331 PolarHBondContact OD1-NH1 2.82Å; R331-D333 PolarHBondContact O-N 2.78Å; R331-D333 VanDerWaalsContact O-N 3.13Å; R331-F388 HydrophobicContact CB-CD2 4.46Å
332P83.8Confident79.4Confident128 Ų12859.7 Ų59.783%0.83135%0.352SS*.PPolyproline II helixtrans-59.4116.5178.7-25.234.5000112.4
333D86.1Confident82Confident15 Ų1557.5 Ų57.58%0.0834%0.344CS..PPolyproline II helixtrans-99.9133.8177.5-167.4-53.5000111R331 R335 D336R331-D333 PolarHBondContact O-N 2.78Å; R331-D333 VanDerWaalsContact O-N 3.13Å; D333-R335 PolarHBondContact O-N 2.63Å; D333-R335 VanDerWaalsContact O-N 3.11Å; D333-R335 WeakPolarHBondContact OD1-CB 3.5Å; D333-R335 VanDerWaalsContact OD1-CD 3.23Å; D333-R335 WeakPolarHBondContact OD1-CD 3.38Å; D333-R335 WeakPolarHBondContact OD1-CG 3.4Å; D333-R335 PolarHBondContact OD1-N 3.02Å; D333-R335 IonicContact OD1-NE 3.53Å; D333-R335 IonicContact OD1-NH1 2.71Å; D333-R335 IonicContact OD2-CZ 2.99Å; D333-R335 IonicContact OD2-NH1 3.65Å; D333-R335 PolarHBondContact OD2-NH1 2.69Å; D333-D336 WeakPolarHBondContact O-CB 3.34Å; D333-D336 PolarHBondContact O-N 3.42Å; D333-D336 VanDerWaalsContact O-N 3.09Å
334P89.5Confident84.6Confident40 Ų4051.6 Ų51.626%0.2631%0.307SS..Hα-helixtrans-48.1-33.1170.8-29.836.2000115.4D336 T337 F338 I808P334-D336 VanDerWaalsContact C-N 3.26Å; P334-D336 PolarHBondContact O-N 3.14Å; P334-T337 PolarHBondContact O-N 2.88Å; P334-T337 PolarHBondContact O-OG1 2.85Å; P334-F338 PolarHBondContact O-N 3.4Å; P334-I808 HydrophobicContact CB-CD1 3.59Å
335R87.9Confident86.4Confident11 Ų1149.6 Ų49.64%0.04229%0.291CS..Hα-helixtrans-63.8-29.2-179.5-63.1160.8-177.4126.5-12.5112.7D333 T337 P385 N386 D387 I808 N992D333-R335 PolarHBondContact O-N 2.63Å; D333-R335 VanDerWaalsContact O-N 3.11Å; D333-R335 WeakPolarHBondContact OD1-CB 3.5Å; D333-R335 VanDerWaalsContact OD1-CD 3.23Å; D333-R335 WeakPolarHBondContact OD1-CD 3.38Å; D333-R335 WeakPolarHBondContact OD1-CG 3.4Å; D333-R335 PolarHBondContact OD1-N 3.02Å; D333-R335 IonicContact OD1-NE 3.53Å; D333-R335 IonicContact OD1-NH1 2.71Å; D333-R335 IonicContact OD2-CZ 2.99Å; D333-R335 IonicContact OD2-NH1 3.65Å; D333-R335 PolarHBondContact OD2-NH1 2.69Å; R335-T337 VanDerWaalsContact C-N 3.28Å; R335-T337 PolarHBondContact O-N 2.84Å; R335-P385 PolarHBondContact NH2-O 2.84Å; R335-N386 PolarHBondContact NH1-O 3.41Å; R335-D387 VanDerWaalsContact NH1-CA 3.3Å; R335-D387 VanDerWaalsContact NH1-CB 3.34Å; R335-I808 HydrophobicContact CG-CG2 3.8Å; R335-I808 PolarHBondContact NE-O 2.86Å; R335-I808 PolarHBondContact NH2-O 2.74Å; R335-N992 PolarHBondContact O-ND2 3.32Å
336D85.9Confident87.6Confident28 Ų2850.8 Ų50.815%0.1530%0.303CS..Hα-helixtrans-70.7-24.6-179.2-67.7-31.6000112.3D333 P334 Y339 L1083 S1084D333-D336 WeakPolarHBondContact O-CB 3.34Å; D333-D336 PolarHBondContact O-N 3.42Å; D333-D336 VanDerWaalsContact O-N 3.09Å; P334-D336 VanDerWaalsContact C-N 3.26Å; P334-D336 PolarHBondContact O-N 3.14Å; D336-Y339 VanDerWaalsContact O-CE1 3.25Å; D336-Y339 WeakPolarHBondContact O-CE1 3.23Å; D336-L1083 WeakPolarHBondContact OD1-CD2 3.41Å; D336-S1084 WeakPolarHBondContact OD2-CB 3.17Å; D336-S1084 PolarHBondContact OD2-OG 3.08Å
337T89.1Confident88.7Confident84 Ų8450.6 Ų50.652%0.51529%0.292SS..Hα-helixtrans-110.6-14.5-179.650.20000114.1P334 R335 Y339 S340P334-T337 PolarHBondContact O-N 2.88Å; P334-T337 PolarHBondContact O-OG1 2.85Å; R335-T337 VanDerWaalsContact C-N 3.28Å; R335-T337 PolarHBondContact O-N 2.84Å; T337-Y339 PolarHBondContact O-N 3.37Å; T337-S340 WeakPolarHBondContact O-CB 3.48Å; T337-S340 PolarHBondContact O-N 2.75Å; T337-S340 PolarHBondContact O-OG 2.97Å
338F91.4Very high89.2Confident4 Ų453.8 Ų53.82%0.01830%0.303CS..G310 helixtrans-48.5-34.6-174.8-179.5-115.9000115.2P334 S340 T341 I808 E825 E827 R837P334-F338 PolarHBondContact O-N 3.4Å; F338-S340 PolarHBondContact O-N 2.92Å; F338-S340 VanDerWaalsContact O-N 3.1Å; F338-T341 PolarHBondContact O-N 3.21Å; F338-T341 VanDerWaalsContact O-N 3.14Å; F338-I808 HydrophobicContact CB-CG2 4.13Å; F338-I808 HydrophobicContact CD1-CG2 4.36Å; F338-I808 HydrophobicContact CD2-CB 4.17Å; F338-I808 HydrophobicContact CD2-CD1 4.22Å; F338-I808 HydrophobicContact CD2-CG1 3.71Å; F338-I808 HydrophobicContact CD2-CG2 3.83Å; F338-I808 HydrophobicContact CE2-CB 4.16Å; F338-I808 HydrophobicContact CE2-CG1 3.72Å; F338-I808 HydrophobicContact CE2-CG2 4.24Å; F338-I808 HydrophobicContact CG-CG2 3.87Å; F338-E825 HydrophobicContact CE1-CB 3.89Å; F338-E825 HydrophobicContact CE1-CG 4.45Å; F338-E825 WeakPolarHBondContact CE1-OE1 3.5Å; F338-E825 HydrophobicContact CZ-CB 3.82Å; F338-E827 HydrophobicContact CD2-CG 4.27Å; F338-E827 HydrophobicContact CE2-CG 4.13Å; F338-R837 HydrophobicContact CD2-CB 4.22Å; F338-R837 HydrophobicContact CE2-CB 3.43Å; F338-R837 VanDerWaalsContact CE2-CB 3.43Å; F338-R837 HydrophobicContact CE2-CG 4.32Å; F338-R837 HydrophobicContact CZ-CB 3.63Å; F338-R837 HydrophobicContact CZ-CG 4.23Å; F338-R837 WeakPolarHBondContact O-CD 3.44Å; F338-R837 PolarHBondContact O-NE 2.82Å
339Y89.4Confident89.7Confident43 Ų4353 Ų5317%0.16930%0.299CS..G310 helixtrans-57.1-27.917969.8-95.9000113.1D336 T337 R837 T920 L991 N992D336-Y339 VanDerWaalsContact O-CE1 3.25Å; D336-Y339 WeakPolarHBondContact O-CE1 3.23Å; T337-Y339 PolarHBondContact O-N 3.37Å; Y339-R837 PolarHBondContact O-NE 3.13Å; Y339-R837 PolarHBondContact O-NH2 3.23Å; Y339-T920 HydrophobicContact CD2-CG2 4.34Å; Y339-T920 HydrophobicContact CE2-CG2 3.95Å; Y339-L991 HydrophobicContact CE1-CB 3.68Å; Y339-N992 HydrophobicContact CD1-CB 3.94Å
340S91.7Very high90.1Very high78 Ų7857.8 Ų57.855%0.54532%0.321SS..G310 helixtrans-77.1-19.1-177.7-58.30000113.9T337 F338T337-S340 WeakPolarHBondContact O-CB 3.48Å; T337-S340 PolarHBondContact O-N 2.75Å; T337-S340 PolarHBondContact O-OG 2.97Å; F338-S340 PolarHBondContact O-N 2.92Å; F338-S340 VanDerWaalsContact O-N 3.1Å
341T94.6Very high90.4Very high27 Ų2761.3 Ų61.317%0.16634%0.34CS..SBendtrans-73.4138179.3-64.70000109.9F338 V343 V835 R837F338-T341 PolarHBondContact O-N 3.21Å; F338-T341 VanDerWaalsContact O-N 3.14Å; T341-V343 PolarHBondContact O-N 2.75Å; T341-V835 HydrophobicContact CG2-CG1 3.97Å; T341-R837 HydrophobicContact CG2-CB 3.87Å; T341-R837 HydrophobicContact CG2-CG 4.32Å; T341-R837 WeakPolarHBondContact O-CD 3.46Å; T341-R837 WeakPolarHBondContact O-CG 3.34Å; T341-R837 PolarHBondContact O-NE 2.84Å
342P95Very high90.9Very high85 Ų8555.9 Ų55.955%0.55232%0.321SS*.PPolyproline II helixtrans-60.2133.9-179.2-26.135.5000113.2V836 R837P342-V836 CarbonylContact O-C 3.5Å; P342-V836 VanDerWaalsContact O-CA 3.23Å; P342-V836 WeakPolarHBondContact O-CA 3.46Å; P342-R837 PolarHBondContact O-N 3.34Å
343V93.4Very high91.4Very high62 Ų6250.5 Ų50.538%0.37629%0.285SS..BIsolated β-bridgetrans-72.5139-179.9-171.40000110.8T341 R837T341-V343 PolarHBondContact O-N 2.75Å; V343-R837 HydrophobicContact CG2-CG 4.25Å
344I94.9Very high91.7Very high3 Ų353.1 Ų53.12%0.01530%0.303CS..PPolyproline II helixtrans-57.2138.2171.3-170.5171.4000111.4P346 R348 L349 Y802 L828 V836 R837 L838I344-P346 WeakPolarHBondContact O-CD 3.43Å; I344-R348 HydrophobicContact CD1-CB 4.26Å; I344-R348 HydrophobicContact CG1-CB 4.23Å; I344-L349 HydrophobicContact CD1-CD2 4.21Å; I344-L349 HydrophobicContact CG2-CD1 3.86Å; I344-L349 HydrophobicContact CG2-CD2 4.13Å; I344-L349 HydrophobicContact CG2-CG 4.12Å; I344-Y802 HydrophobicContact CD1-CD1 4.41Å; I344-Y802 HydrophobicContact CD1-CD2 4.48Å; I344-Y802 HydrophobicContact CD1-CE1 3.9Å; I344-Y802 HydrophobicContact CD1-CE2 3.96Å; I344-Y802 HydrophobicContact CG1-CE1 4.34Å; I344-L828 HydrophobicContact CD1-CD1 4.42Å; I344-V836 HydrophobicContact CB-CB 4.45Å; I344-V836 HydrophobicContact CB-CG2 4.21Å; I344-V836 HydrophobicContact CG1-CG2 4.39Å; I344-R837 WeakPolarHBondContact CG2-O 3.44Å; I344-R837 PolarHBondContact N-O 3.23Å; I344-L838 HydrophobicContact CD1-CD1 4.46Å; I344-L838 HydrophobicContact CG2-CB 4.26Å; I344-L838 HydrophobicContact CG2-CG 4.44Å
345D93.1Very high91.8Very high74 Ų7455.1 Ų55.140%0.39632%0.323SS..PPolyproline II helixtrans-53.1119.3177163.714.7000110.9S347 R348D345-S347 PolarHBondContact O-N 3.36Å; D345-S347 VanDerWaalsContact OD1-CB 3.25Å; D345-S347 WeakPolarHBondContact OD1-CB 3.39Å; D345-S347 PolarHBondContact OD1-N 2.91Å; D345-S347 PolarHBondContact OD1-OG 3.06Å; D345-S347 VanDerWaalsContact OD1-OG 3.1Å; D345-S347 PolarHBondContact OD2-OG 3.49Å; D345-R348 HydrophobicContact CB-CG 3.79Å; D345-R348 WeakPolarHBondContact O-CB 3.32Å; D345-R348 WeakPolarHBondContact O-CG 3.2Å; D345-R348 PolarHBondContact O-N 3.26Å; D345-R348 IonicContact OD2-NE 2.86Å
346P91.3Very high92Very high80 Ų8055.7 Ų55.752%0.51933%0.328SS..Hα-helixtrans-56.2-23.7-178.7-28.136.1000114.6I344 R348 L349I344-P346 WeakPolarHBondContact O-CD 3.43Å; P346-R348 PolarHBondContact O-N 3.29Å; P346-L349 PolarHBondContact O-N 2.84Å
347S93.1Very high92.1Very high57 Ų5761 Ų6140%0.39936%0.356SS..Hα-helixtrans-62.4-30.617587.90000112.6D345 L349 Q350D345-S347 PolarHBondContact O-N 3.36Å; D345-S347 VanDerWaalsContact OD1-CB 3.25Å; D345-S347 WeakPolarHBondContact OD1-CB 3.39Å; D345-S347 PolarHBondContact OD1-N 2.91Å; D345-S347 PolarHBondContact OD1-OG 3.06Å; D345-S347 VanDerWaalsContact OD1-OG 3.1Å; D345-S347 PolarHBondContact OD2-OG 3.49Å; S347-L349 VanDerWaalsContact C-N 3.33Å; S347-L349 PolarHBondContact O-N 3.36Å; S347-Q350 PolarHBondContact O-N 3.44Å
348R92.8Very high92Very high70 Ų7057.6 Ų57.626%0.26433%0.334SS..Hα-helixtrans-72-26.4-178.9-55.8-71.7166.7-175.8-4.1113.3I344 D345 P346 V352 N798 Y802I344-R348 HydrophobicContact CD1-CB 4.26Å; I344-R348 HydrophobicContact CG1-CB 4.23Å; D345-R348 HydrophobicContact CB-CG 3.79Å; D345-R348 WeakPolarHBondContact O-CB 3.32Å; D345-R348 WeakPolarHBondContact O-CG 3.2Å; D345-R348 PolarHBondContact O-N 3.26Å; D345-R348 IonicContact OD2-NE 2.86Å; P346-R348 PolarHBondContact O-N 3.29Å; R348-V352 VanDerWaalsContact O-CG2 3.29Å; R348-V352 WeakPolarHBondContact O-CG2 3.32Å; R348-N798 WeakPolarHBondContact CD-OD1 3.05Å; R348-N798 PolarHBondContact NH1-OD1 2.6Å; R348-N798 PolarHBondContact O-ND2 2.65Å; R348-Y802 HydrophobicContact CB-CE2 4.45Å; R348-Y802 WeakPolarHBondContact CD-OH 3.37Å; R348-Y802 WeakPolarHBondContact CG-OH 3.44Å
349L92.3Very high91.7Very high28 Ų2859.6 Ų59.615%0.14735%0.349CS..Hα-helixtrans-86.7-17.9179.7-59.1178.7000112.8I344 P346 S347 N351 V352 L794 L838 E840I344-L349 HydrophobicContact CD1-CD2 4.21Å; I344-L349 HydrophobicContact CG2-CD1 3.86Å; I344-L349 HydrophobicContact CG2-CD2 4.13Å; I344-L349 HydrophobicContact CG2-CG 4.12Å; P346-L349 PolarHBondContact O-N 2.84Å; S347-L349 VanDerWaalsContact C-N 3.33Å; S347-L349 PolarHBondContact O-N 3.36Å; L349-N351 PolarHBondContact O-N 2.7Å; L349-V352 WeakPolarHBondContact O-CG2 3.41Å; L349-V352 PolarHBondContact O-N 3.45Å; L349-L794 HydrophobicContact CD2-CD1 4.11Å; L349-L838 HydrophobicContact CD2-CD1 3.69Å; L349-L838 HydrophobicContact CD2-CG 4.28Å; L349-E840 HydrophobicContact CD1-CG 3.9Å
350Q89.9Confident91.6Very high115 Ų11558.3 Ų58.354%0.53735%0.345SS..THydrogen-bonded Turntrans-65.4122.6-178.1-66.3-1749.400111.7S347 V352 R797S347-Q350 PolarHBondContact O-N 3.44Å; Q350-V352 VanDerWaalsContact C-N 3.29Å; Q350-V352 PolarHBondContact O-N 2.79Å; Q350-R797 VanDerWaalsContact O-CZ 3.26Å; Q350-R797 PolarHBondContact O-NE 3.05Å; Q350-R797 PolarHBondContact O-NH2 2.74Å; Q350-R797 VanDerWaalsContact O-NH2 3.08Å
351N89.9Confident91.2Very high129 Ų12957.8 Ų57.869%0.6934%0.339SS*.THydrogen-bonded Turntrans61.130179.1-47.4-72.2000114.4L349L349-N351 PolarHBondContact O-N 2.7Å
352V94.1Very high90.6Very high13 Ų1358.1 Ų58.18%0.07934%0.337CS..SBendtrans-67.6-45.1167169.80000111R348 L349 Q350 Y790 K793 L794 R797R348-V352 VanDerWaalsContact O-CG2 3.29Å; R348-V352 WeakPolarHBondContact O-CG2 3.32Å; L349-V352 WeakPolarHBondContact O-CG2 3.41Å; L349-V352 PolarHBondContact O-N 3.45Å; Q350-V352 VanDerWaalsContact C-N 3.29Å; Q350-V352 PolarHBondContact O-N 2.79Å; V352-Y790 HydrophobicContact CG1-CD2 4.4Å; V352-Y790 HydrophobicContact CG1-CE2 3.88Å; V352-K793 HydrophobicContact CG1-CB 4.13Å; V352-K793 WeakPolarHBondContact O-CB 3.49Å; V352-L794 HydrophobicContact CG1-CB 4.19Å; V352-L794 HydrophobicContact CG1-CD1 4.4Å; V352-L794 HydrophobicContact CG2-CD1 3.86Å; V352-R797 HydrophobicContact CG2-CB 4.04Å; V352-R797 HydrophobicContact CG2-CG 3.84Å
353L94Very high90Very high14 Ų1455.3 Ų55.37%0.07332%0.319CS..SBendtrans-114.9151.9174.3-68.8-177.1000110.9Y790 K793 I842 L879 Q881L353-Y790 HydrophobicContact CD1-CD2 3.82Å; L353-Y790 HydrophobicContact CD1-CE2 3.94Å; L353-Y790 HydrophobicContact CD2-CD2 4.26Å; L353-Y790 HydrophobicContact CG-CD2 4Å; L353-Y790 HydrophobicContact CG-CE2 4.04Å; L353-K793 HydrophobicContact CD2-CB 4.31Å; L353-K793 HydrophobicContact CD2-CG 4.33Å; L353-I842 HydrophobicContact CD1-CG1 4.28Å; L353-I842 HydrophobicContact CD1-CG2 3.84Å; L353-L879 HydrophobicContact CD1-CB 4.3Å; L353-L879 HydrophobicContact CD2-CB 3.99Å; L353-Q881 HydrophobicContact CB-CB 4.21Å
354P93.2Very high89.2Confident71 Ų7153.2 Ų53.246%0.46131%0.306SS..  trans-63.8143.217227.7-34.7000111.1L878 C880 Q881P354-L878 HydrophobicContact CG-CD1 4.45Å; P354-C880 HydrophobicContact CG-CB 4.14Å; P354-C880 CarbonylContact O-C 3.49Å; P354-C880 VanDerWaalsContact O-CA 3.26Å; P354-C880 WeakPolarHBondContact O-CA 3.23Å; P354-C880 VanDerWaalsContact O-CB 3.24Å; P354-C880 WeakPolarHBondContact O-CB 3.39Å; P354-Q881 PolarHBondContact O-N 3.31Å
355A91.9Very high88.2Confident81 Ų8159 Ų5967%0.66933%0.331SS*.EExtended strand (participates in β ladder)trans-70137.6177.600000112.3V883A355-V883 HydrophobicContact CB-CG2 3.58Å
356C90.8Very high87.3Confident23 Ų2363.6 Ų63.616%0.15536%0.355CS..EExtended strand (participates in β ladder)trans-142.4157.5177.463.90000115C880 Q881 V883C356-C880 HydrophobicContact CB-CB 3.56Å; C356-C880 WeakPolarHBondContact CB-SG 3.31Å; C356-C880 WeakPolarHBondContact SG-CB 3.07Å; C356-C880 CovalentContact SG-SG 2.03Å; C356-C880 PolarHBondContact SG-SG 2.95Å; C356-Q881 PolarHBondContact N-O 3.05Å; C356-Q881 PolarHBondContact SG-O 2.8Å; C356-V883 PolarHBondContact O-N 3.41Å
357L88.8Confident86.6Confident140 Ų14065 Ų6573%0.73335%0.354SS*.  trans-86.2109.4178.3-79.6171.8000111.6S359 M884L357-S359 PolarHBondContact O-N 3.49Å; L357-M884 HydrophobicContact CB-CE 4.36Å; L357-M884 HydrophobicContact CD2-CE 3.63Å; L357-M884 HydrophobicContact CD2-SD 3.8Å
358Y87.6Confident86.1Confident12 Ų1266.7 Ų66.75%0.04736%0.363CS..  trans-75.6112.3172.9-171.1-114.7000112.3P360 Y362 R821 Y843 P882 M884 L885Y358-P360 HydrophobicContact CD1-CG 4.36Å; Y358-P360 HydrophobicContact CE1-CB 4.49Å; Y358-P360 HydrophobicContact CE1-CG 3.69Å; Y358-Y362 PolarHBondContact OH-OH 2.81Å; Y358-R821 HydrophobicContact CE2-CB 3.88Å; Y358-R821 HydrophobicContact CE2-CG 4.36Å; Y358-R821 PolarHBondContact OH-NH1 2.72Å; Y358-R821 VanDerWaalsContact OH-NH1 3.09Å; Y358-Y843 HydrophobicContact CD2-CD1 4.37Å; Y358-Y843 AromaticContact CD2-CD2 3.71Å; Y358-Y843 HydrophobicContact CD2-CD2 3.71Å; Y358-Y843 HydrophobicContact CD2-CE1 4.37Å; Y358-Y843 AromaticContact CD2-CE2 3.74Å; Y358-Y843 HydrophobicContact CD2-CE2 3.74Å; Y358-Y843 HydrophobicContact CD2-CG 4.07Å; Y358-Y843 AromaticContact CE2-CD2 3.66Å; Y358-Y843 HydrophobicContact CE2-CD2 3.66Å; Y358-Y843 AromaticContact CE2-CE2 3.5Å; Y358-Y843 HydrophobicContact CE2-CE2 3.5Å; Y358-Y843 VanDerWaalsContact CE2-CE2 3.5Å; Y358-Y843 HydrophobicContact CE2-CG 4.47Å; Y358-P882 HydrophobicContact CD2-CB 4.46Å; Y358-P882 HydrophobicContact CG-CB 4.33Å; Y358-M884 WeakPolarHBondContact O-CE 3.5Å; Y358-L885 HydrophobicContact CD1-CD1 3.62Å; Y358-L885 HydrophobicContact CD1-CD2 4Å; Y358-L885 HydrophobicContact CD1-CG 3.89Å; Y358-L885 HydrophobicContact CD2-CD1 4.35Å; Y358-L885 HydrophobicContact CE1-CD1 3.77Å; Y358-L885 HydrophobicContact CE1-CD2 4.3Å; Y358-L885 HydrophobicContact CE1-CG 4.4Å; Y358-L885 HydrophobicContact CE2-CD1 4.49Å; Y358-L885 HydrophobicContact CG-CD1 3.91Å; Y358-L885 HydrophobicContact CG-CG 4.27Å
359S84.8Confident85.8Confident47 Ų4764 Ų6433%0.32935%0.354SS..  trans-143.277.9-180-169.40000109.7L357 R818L357-S359 PolarHBondContact O-N 3.49Å; S359-R818 WeakPolarHBondContact O-CD 3.28Å; S359-R818 PolarHBondContact O-NH1 3.4Å; S359-R818 PolarHBondContact OG-NH1 3.01Å
360P86.3Confident85.6Confident15 Ų1565.1 Ų65.110%0.09737%0.367CS..  trans-68.9157.6-17828.6-35.8000112.6Y358 Y362 V363 D815Y358-P360 HydrophobicContact CD1-CG 4.36Å; Y358-P360 HydrophobicContact CE1-CB 4.49Å; Y358-P360 HydrophobicContact CE1-CG 3.69Å; P360-Y362 HydrophobicContact CB-CD1 4.35Å; P360-Y362 HydrophobicContact CB-CD2 4.47Å; P360-Y362 HydrophobicContact CB-CE1 3.81Å; P360-Y362 HydrophobicContact CB-CE2 3.91Å; P360-Y362 HydrophobicContact CG-CE2 4.05Å; P360-V363 HydrophobicContact CG-CG2 3.78Å; P360-D815 VanDerWaalsContact CA-OD2 3.28Å; P360-D815 WeakPolarHBondContact CA-OD2 3.03Å
361T83.9Confident85.5Confident67 Ų6765.3 Ų65.341%0.41136%0.363SS..THydrogen-bonded Turntrans-82-29-176.156.60000114.5V363 D815 A817 R818T361-V363 PolarHBondContact O-N 3.07Å; T361-D815 PolarHBondContact N-OD2 3.34Å; T361-D815 PolarHBondContact OG1-OD1 2.94Å; T361-D815 PolarHBondContact OG1-OD2 3.1Å; T361-D815 VanDerWaalsContact OG1-OD2 3.05Å; T361-A817 HydrophobicContact CG2-CB 3.84Å; T361-R818 HydrophobicContact CG2-CG 3.76Å
362Y81.9Confident85.4Confident34 Ų3462.4 Ų62.413%0.13334%0.343CS..THydrogen-bonded Turntrans-79.96.4-179.455.4-108.6000114.5Y358 P360 V364 Y379 R813 R814 D815 Q1075Y358-Y362 PolarHBondContact OH-OH 2.81Å; P360-Y362 HydrophobicContact CB-CD1 4.35Å; P360-Y362 HydrophobicContact CB-CD2 4.47Å; P360-Y362 HydrophobicContact CB-CE1 3.81Å; P360-Y362 HydrophobicContact CB-CE2 3.91Å; P360-Y362 HydrophobicContact CG-CE2 4.05Å; Y362-V364 PolarHBondContact O-N 3.41Å; Y362-Y379 HydrophobicContact CG-CE2 4.43Å; Y362-R813 HydrophobicContact CE1-CG 4.05Å; Y362-R813 WeakPolarHBondContact OH-CG 3.38Å; Y362-R814 WeakPolarHBondContact CE1-O 3.35Å; Y362-D815 HydrophobicContact CD1-CB 4.44Å; Y362-D815 HydrophobicContact CE1-CB 4.08Å; Y362-Q1075 HydrophobicContact CE2-CG 4.19Å; Y362-Q1075 PolarHBondContact OH-NE2 3.4Å
363V81.6Confident85Confident26 Ų2664.9 Ų64.916%0.15835%0.353CS..SBendtrans-84.4112.9173166.80000108.5P360 T361 K365 G1073 Q1075P360-V363 HydrophobicContact CG-CG2 3.78Å; T361-V363 PolarHBondContact O-N 3.07Å; V363-K365 HydrophobicContact CG1-CG 4.29Å; V363-K365 PolarHBondContact O-N 3.15Å; V363-G1073 WeakPolarHBondContact CG1-O 3.44Å; V363-Q1075 HydrophobicContact CG2-CB 4.03Å
364V77.9Confident84.5Confident18 Ų1864.2 Ų64.211%0.10935%0.35CS..  trans-60.5124.8177.2-174.10000109.2Y362 F367 I369 F377 G1073Y362-V364 PolarHBondContact O-N 3.41Å; V364-F367 HydrophobicContact CG1-CB 3.82Å; V364-F367 HydrophobicContact CG1-CD1 4.31Å; V364-F367 HydrophobicContact CG1-CG 4.49Å; V364-I369 HydrophobicContact CB-CD1 4.41Å; V364-I369 HydrophobicContact CG1-CD1 4.13Å; V364-I369 HydrophobicContact CG1-CG1 4.22Å; V364-I369 HydrophobicContact CG2-CD1 4.41Å; V364-F377 HydrophobicContact CG2-CB 3.99Å; V364-F377 HydrophobicContact CG2-CD1 3.38Å; V364-F377 HydrophobicContact CG2-CD2 3.96Å; V364-F377 HydrophobicContact CG2-CE1 3.76Å; V364-F377 HydrophobicContact CG2-CE2 4.3Å; V364-F377 HydrophobicContact CG2-CG 3.48Å; V364-F377 VanDerWaalsContact CG2-CG 3.48Å; V364-F377 HydrophobicContact CG2-CZ 4.21Å; V364-G1073 VanDerWaalsContact O-CA 3.27Å; V364-G1073 WeakPolarHBondContact O-CA 3.49Å
365K72.8Confident84Confident126 Ų12662.9 Ų62.955%0.54834%0.339SS..  trans-130.4141.7173-64.7-172.1-179.9-1730109.1V363 F367V363-K365 HydrophobicContact CG1-CG 4.29Å; V363-K365 PolarHBondContact O-N 3.15Å; K365-F367 PolarHBondContact O-N 3.38Å
366D74.1Confident83.4Confident169 Ų16965.6 Ų65.690%0.90434%0.338SS*.SBendtrans56.420169.9-45.8-52.9000114.8
367F77.6Confident82.9Confident110 Ų11066.7 Ų66.748%0.48234%0.34SS..  trans-117.3127.8-179.6-177.3-90.1000110.3V364 K365 I369V364-F367 HydrophobicContact CG1-CB 3.82Å; V364-F367 HydrophobicContact CG1-CD1 4.31Å; V364-F367 HydrophobicContact CG1-CG 4.49Å; K365-F367 PolarHBondContact O-N 3.38Å; F367-I369 HydrophobicContact CD1-CG1 4.45Å; F367-I369 PolarHBondContact O-N 3.08Å
368P82.5Confident82.4Confident92 Ų9260.8 Ų60.860%0.59731%0.31SS*.  trans-74.9111.9177.830.2-32.7000110.5
369I85.6Confident81.9Confident15 Ų1564.4 Ų64.48%0.07732%0.324CS..PPolyproline II helixtrans-77.5122.4172.9-59-176.7000107.6V364 F367 Q373 F377 D1067 K1070 Q1071V364-I369 HydrophobicContact CB-CD1 4.41Å; V364-I369 HydrophobicContact CG1-CD1 4.13Å; V364-I369 HydrophobicContact CG1-CG1 4.22Å; V364-I369 HydrophobicContact CG2-CD1 4.41Å; F367-I369 HydrophobicContact CD1-CG1 4.45Å; F367-I369 PolarHBondContact O-N 3.08Å; I369-Q373 HydrophobicContact CG2-CB 3.78Å; I369-F377 HydrophobicContact CD1-CD2 4.23Å; I369-F377 HydrophobicContact CD1-CE2 4.38Å; I369-F377 HydrophobicContact CG1-CE2 4.34Å; I369-D1067 HydrophobicContact CG2-CB 4.23Å; I369-K1070 HydrophobicContact CD1-CB 3.34Å; I369-Q1071 HydrophobicContact CD1-CB 4.24Å; I369-Q1071 HydrophobicContact CG1-CB 4.42Å
370A87.8Confident81.6Confident51 Ų5163 Ų6342%0.42131%0.312SS..PPolyproline II helixtrans-82.9163.5172.100000110.7Y372 Q373A370-Y372 PolarHBondContact O-N 3.39Å; A370-Q373 HydrophobicContact CB-CG 4.34Å; A370-Q373 WeakPolarHBondContact O-CB 3.27Å; A370-Q373 WeakPolarHBondContact O-CG 3.48Å; A370-Q373 PolarHBondContact O-N 3.48Å
371R88.8Confident81.5Confident119 Ų11962.2 Ų62.245%0.44931%0.308SS..THydrogen-bonded Turntrans-48.8127.2-171.7-169.4179.2-172119.9-7.7113.5Q373 E1053 F1054 D1067R371-Q373 PolarHBondContact O-N 2.84Å; R371-E1053 IonicContact CZ-OE1 2.92Å; R371-E1053 VanDerWaalsContact CZ-OE1 3.24Å; R371-E1053 IonicContact CZ-OE2 2.79Å; R371-E1053 VanDerWaalsContact NH1-CD 3.25Å; R371-E1053 IonicContact NH1-OE1 3.13Å; R371-E1053 PolarHBondContact NH1-OE1 2.76Å; R371-E1053 IonicContact NH1-OE2 2.74Å; R371-E1053 PolarHBondContact NH1-OE2 2.95Å; R371-E1053 IonicContact NH2-OE1 2.73Å; R371-E1053 PolarHBondContact NH2-OE1 2.98Å; R371-E1053 IonicContact NH2-OE2 3.64Å; R371-F1054 VanDerWaalsContact NH2-CZ 3.33Å; R371-D1067 WeakPolarHBondContact CA-OD2 3.29Å
372Y88.1Confident81.6Confident67 Ų6760.6 Ų60.626%0.26330%0.295SS..THydrogen-bonded Turntrans6212.6-177.6-46.7-28.5000115.3A370 G374 G1060 W1063 E1064 D1067A370-Y372 PolarHBondContact O-N 3.39Å; Y372-G374 VanDerWaalsContact C-N 3.31Å; Y372-G1060 WeakPolarHBondContact CE1-O 3.4Å; Y372-W1063 HydrophobicContact CD1-CB 3.49Å; Y372-W1063 VanDerWaalsContact CD1-CB 3.49Å; Y372-W1063 HydrophobicContact CD1-CE3 4.17Å; Y372-W1063 AromaticContact CD2-CE3 3.68Å; Y372-W1063 HydrophobicContact CD2-CE3 3.68Å; Y372-W1063 HydrophobicContact CD2-CZ3 4.17Å; Y372-W1063 HydrophobicContact CE1-CB 3.86Å; Y372-W1063 HydrophobicContact CE2-CE3 4.13Å; Y372-W1063 HydrophobicContact CG-CB 4.13Å; Y372-W1063 AromaticContact CG-CE3 3.69Å; Y372-W1063 HydrophobicContact CG-CE3 3.69Å; Y372-E1064 HydrophobicContact CE1-CB 4.43Å; Y372-D1067 WeakPolarHBondContact CA-OD1 3.46Å; Y372-D1067 WeakPolarHBondContact CA-OD2 3.26Å; Y372-D1067 PolarHBondContact N-OD1 3.29Å; Y372-D1067 PolarHBondContact N-OD2 2.79Å
373Q85.7Confident82Confident65 Ų6559 Ų5930%0.30429%0.289SS..G310 helixtrans-77.3-15.6173.6-66.3-178.1-22.800112.9I369 A370 R371 L375 Q376 F377 D1067I369-Q373 HydrophobicContact CG2-CB 3.78Å; A370-Q373 HydrophobicContact CB-CG 4.34Å; A370-Q373 WeakPolarHBondContact O-CB 3.27Å; A370-Q373 WeakPolarHBondContact O-CG 3.48Å; A370-Q373 PolarHBondContact O-N 3.48Å; R371-Q373 PolarHBondContact O-N 2.84Å; Q373-L375 PolarHBondContact O-N 3.01Å; Q373-L375 VanDerWaalsContact O-N 3.12Å; Q373-Q376 WeakPolarHBondContact O-CB 3.12Å; Q373-Q376 PolarHBondContact O-N 3.27Å; Q373-F377 WeakPolarHBondContact O-CD2 3.24Å; Q373-D1067 PolarHBondContact N-OD1 2.7Å
374G83.4Confident82.5Confident0 Ų059.5 Ų59.50%029%0.288CS..G310 helixtrans-53.9-30.7174.800000113.3Y372 Q376 F377 D1067Y372-G374 VanDerWaalsContact C-N 3.31Å; G374-Q376 VanDerWaalsContact C-N 3.31Å; G374-Q376 PolarHBondContact O-N 2.91Å; G374-F377 PolarHBondContact O-N 2.86Å; G374-D1067 WeakPolarHBondContact CA-OD1 3.39Å; G374-D1067 PolarHBondContact N-OD1 3.05Å
375L82.2Confident83.1Confident43 Ų4360.5 Ų60.523%0.22530%0.295CS..G310 helixtrans-54.6-41.1171-64.2173.7000112.8Q373 F377 V378 F1033 W1063 L1066Q373-L375 PolarHBondContact O-N 3.01Å; Q373-L375 VanDerWaalsContact O-N 3.12Å; L375-F377 PolarHBondContact O-N 3.33Å; L375-V378 WeakPolarHBondContact O-CB 3.32Å; L375-V378 PolarHBondContact O-N 3.14Å; L375-F1033 HydrophobicContact CD2-CD2 3.95Å; L375-F1033 HydrophobicContact CD2-CE2 3.31Å; L375-F1033 HydrophobicContact CD2-CZ 3.94Å; L375-W1063 HydrophobicContact CD1-CD2 3.81Å; L375-W1063 HydrophobicContact CD1-CE3 3.87Å; L375-W1063 HydrophobicContact CD1-CG 4.36Å; L375-W1063 HydrophobicContact CD1-CH2 4.24Å; L375-W1063 HydrophobicContact CD1-CZ2 4.19Å; L375-W1063 HydrophobicContact CD1-CZ3 4.09Å; L375-W1063 HydrophobicContact CD2-CD2 4.4Å; L375-W1063 HydrophobicContact CD2-CG 4.3Å; L375-W1063 HydrophobicContact CG-CD2 4.49Å; L375-L1066 HydrophobicContact CD2-CD2 3.77Å; L375-L1066 HydrophobicContact CG-CD2 4.31Å
376Q80.6Confident83.8Confident138 Ų13857.2 Ų57.265%0.64528%0.283SS*.G310 helixtrans-69-16.8-177.5-56-177.61.700112.9Q373 G374Q373-Q376 WeakPolarHBondContact O-CB 3.12Å; Q373-Q376 PolarHBondContact O-N 3.27Å; G374-Q376 VanDerWaalsContact C-N 3.31Å; G374-Q376 PolarHBondContact O-N 2.91Å
377F78.5Confident84.2Confident46 Ų4649.8 Ų49.820%0.20224%0.244CC..G310 helixtrans-101.59.4175.3-55-75.3000112.2V364 I369 Q373 G374 L375 Y379 K1070V364-F377 HydrophobicContact CG2-CB 3.99Å; V364-F377 HydrophobicContact CG2-CD1 3.38Å; V364-F377 HydrophobicContact CG2-CD2 3.96Å; V364-F377 HydrophobicContact CG2-CE1 3.76Å; V364-F377 HydrophobicContact CG2-CE2 4.3Å; V364-F377 HydrophobicContact CG2-CG 3.48Å; V364-F377 VanDerWaalsContact CG2-CG 3.48Å; V364-F377 HydrophobicContact CG2-CZ 4.21Å; I369-F377 HydrophobicContact CD1-CD2 4.23Å; I369-F377 HydrophobicContact CD1-CE2 4.38Å; I369-F377 HydrophobicContact CG1-CE2 4.34Å; Q373-F377 WeakPolarHBondContact O-CD2 3.24Å; G374-F377 PolarHBondContact O-N 2.86Å; L375-F377 PolarHBondContact O-N 3.33Å; F377-Y379 WeakPolarHBondContact O-CD2 3.29Å; F377-Y379 WeakPolarHBondContact O-CE2 3.23Å; F377-K1070 HydrophobicContact CB-CD 4.17Å; F377-K1070 PolarHBondContact O-NZ 2.82Å
378V79Confident84.6Confident17 Ų1746.5 Ų46.510%0.10323%0.229CC..  trans-89136.9167.2-177.30000108.6L375 F1033 L1066 L1076 K1078L375-V378 WeakPolarHBondContact O-CB 3.32Å; L375-V378 PolarHBondContact O-N 3.14Å; V378-F1033 HydrophobicContact CG1-CE1 4.35Å; V378-F1033 HydrophobicContact CG1-CZ 4.24Å; V378-F1033 HydrophobicContact CG2-CE1 4.04Å; V378-F1033 HydrophobicContact CG2-CZ 4Å; V378-L1066 HydrophobicContact CG2-CD1 4.25Å; V378-L1066 HydrophobicContact CG2-CD2 3.97Å; V378-L1076 HydrophobicContact CG2-CD2 4.11Å; V378-K1078 HydrophobicContact CG1-CB 3.98Å; V378-K1078 HydrophobicContact CG1-CD 3.54Å; V378-K1078 HydrophobicContact CG1-CG 4.39Å
379Y77Confident84.6Confident88 Ų8842.4 Ų42.435%0.34520%0.202SC..  trans-138.2152.3174.6-43.6-103.4000107Y362 F377 R813Y362-Y379 HydrophobicContact CG-CE2 4.43Å; F377-Y379 WeakPolarHBondContact O-CD2 3.29Å; F377-Y379 WeakPolarHBondContact O-CE2 3.23Å; Y379-R813 PolarHBondContact O-NH1 3.16Å; Y379-R813 PolarHBondContact O-NH2 3.16Å
380L78.7Confident84.4Confident16 Ų1643.8 Ų43.88%0.08421%0.207CC..  trans-77.3-177.7177.9-61.2178000111.8D767 L768 L776 R813 I1011L380-D767 HydrophobicContact CD1-CB 4.42Å; L380-L768 HydrophobicContact CD1-CD2 4.07Å; L380-L768 HydrophobicContact CD1-CG 4.43Å; L380-L768 HydrophobicContact CD2-CD2 4.49Å; L380-L768 HydrophobicContact CG-CD2 4.07Å; L380-L776 HydrophobicContact CB-CD1 3.89Å; L380-L776 HydrophobicContact CD1-CD1 4.36Å; L380-R813 PolarHBondContact O-NH1 2.76Å; L380-I1011 HydrophobicContact CD2-CD1 3.85Å
381S83.6Confident84.1Confident0 Ų041.3 Ų41.30%019%0.187CC..  trans-119.3150.2172.4-50.40000108.6K1077 K1078S381-K1077 PolarHBondContact OG-NZ 2.8Å; S381-K1078 PolarHBondContact OG-O 2.95Å
382F87Confident83.6Confident32 Ų3237.9 Ų37.914%0.1418%0.179CC..EExtended strand (participates in β ladder)trans-91.5143.1171.2-58.4-106.4000108.5L776 Q777 L778 E811 K812 R814F382-L776 CarbonylContact C-O 3.53Å; F382-L776 VanDerWaalsContact CA-O 3.24Å; F382-L776 WeakPolarHBondContact CA-O 3.35Å; F382-L776 HydrophobicContact CB-CB 4.41Å; F382-L776 HydrophobicContact CD1-CB 3.6Å; F382-L776 HydrophobicContact CD1-CD1 4.35Å; F382-L776 HydrophobicContact CD1-CD2 4.48Å; F382-L776 HydrophobicContact CD1-CG 4.38Å; F382-L776 HydrophobicContact CE1-CB 3.93Å; F382-L776 HydrophobicContact CE1-CD1 4.02Å; F382-L776 HydrophobicContact CE1-CD2 3.99Å; F382-L776 HydrophobicContact CE1-CG 4.22Å; F382-L776 HydrophobicContact CE2-CD1 4.19Å; F382-L776 HydrophobicContact CG-CB 4.01Å; F382-L776 HydrophobicContact CZ-CD1 3.91Å; F382-L776 HydrophobicContact CZ-CD2 4.5Å; F382-Q777 WeakPolarHBondContact CD1-O 3.14Å; F382-L778 HydrophobicContact CB-CB 3.99Å; F382-E811 CarbonylContact O-C 3.57Å; F382-E811 VanDerWaalsContact O-CA 3.28Å; F382-E811 WeakPolarHBondContact O-CA 3.48Å; F382-K812 HydrophobicContact CB-CB 4.23Å; F382-K812 PolarHBondContact N-O 3.15Å; F382-K812 PolarHBondContact O-N 3.3Å; F382-R814 HydrophobicContact CE2-CB 4.47Å
383V89.6Confident83.2Confident1 Ų136.8 Ų36.81%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-126.2145.7-174.4179.70000110.8D387 N775 L776 Q777 L778V383-D387 HydrophobicContact CG1-CB 4.41Å; V383-N775 HydrophobicContact CB-CB 4.49Å; V383-N775 HydrophobicContact CG2-CB 4.07Å; V383-L776 PolarHBondContact N-O 3.31Å; V383-Q777 CarbonylContact O-C 3.58Å; V383-Q777 WeakPolarHBondContact O-CA 3.26Å; V383-L778 PolarHBondContact O-N 3.09Å
384Y91.6Very high82.8Confident36 Ų3634.4 Ų34.414%0.14117%0.165CC..SBendtrans-141.6150.3165176.5-83.4000109.9L778 E780 V783 I807 N809 V810Y384-L778 WeakPolarHBondContact CD2-O 3.46Å; Y384-E780 HydrophobicContact CD2-CB 4.43Å; Y384-E780 HydrophobicContact CE2-CB 3.67Å; Y384-E780 HydrophobicContact CE2-CG 3.85Å; Y384-E780 WeakPolarHBondContact CE2-OE2 3.38Å; Y384-E780 WeakPolarHBondContact OH-CG 3.43Å; Y384-E780 PolarHBondContact OH-OE2 2.94Å; Y384-V783 HydrophobicContact CD1-CB 4.2Å; Y384-V783 HydrophobicContact CD1-CG1 3.8Å; Y384-V783 HydrophobicContact CD1-CG2 3.96Å; Y384-V783 HydrophobicContact CD2-CG2 4.38Å; Y384-V783 HydrophobicContact CE1-CG1 4.15Å; Y384-V783 HydrophobicContact CG-CB 4.42Å; Y384-V783 HydrophobicContact CG-CG1 4.46Å; Y384-V783 HydrophobicContact CG-CG2 3.77Å; Y384-I807 HydrophobicContact CD1-CG2 4.03Å; Y384-I807 HydrophobicContact CE1-CB 4.42Å; Y384-I807 HydrophobicContact CE1-CD1 3.96Å; Y384-I807 HydrophobicContact CE1-CG2 4.13Å; Y384-N809 CarbonylContact O-C 2.89Å; Y384-N809 WeakPolarHBondContact O-CA 3.41Å; Y384-V810 PolarHBondContact N-O 3.22Å; Y384-V810 PolarHBondContact O-N 3.1Å
385P91.1Very high82.1Confident40 Ų4036.9 Ų36.926%0.2618%0.177SC..SBendcis-63.5-175.5-13.130.1-37.6000111.8R335R335-P385 PolarHBondContact NH2-O 2.84Å
386N86.7Confident81.1Confident57 Ų5746.6 Ų46.631%0.30521%0.21SC..  trans-47.3146.3167.6-168.4-23.2000110.3R335 F388 Q777R335-N386 PolarHBondContact NH1-O 3.41Å; N386-F388 PolarHBondContact OD1-N 3.3Å; N386-Q777 PolarHBondContact ND2-NE2 3.02Å; N386-Q777 VanDerWaalsContact ND2-NE2 3.15Å
387D83.3Confident80Confident12 Ų1247 Ų476%0.06421%0.212CC..  trans-127.77.5-170.866.628.3000114.7R335 V383 T389 N775 N1082R335-D387 VanDerWaalsContact NH1-CA 3.3Å; R335-D387 VanDerWaalsContact NH1-CB 3.34Å; V383-D387 HydrophobicContact CG1-CB 4.41Å; D387-T389 PolarHBondContact O-N 3.31Å; D387-T389 WeakPolarHBondContact OD1-CB 3.49Å; D387-T389 WeakPolarHBondContact OD1-CG2 3.41Å; D387-T389 PolarHBondContact OD1-N 3.3Å; D387-T389 VanDerWaalsContact OD1-N 3.13Å; D387-T389 PolarHBondContact OD1-OG1 2.97Å; D387-N775 WeakPolarHBondContact OD2-CB 3.39Å; D387-N775 PolarHBondContact OD2-ND2 3.42Å; D387-N1082 HydrophobicContact CB-CB 3.92Å; D387-N1082 WeakPolarHBondContact CB-ND2 3.45Å; D387-N1082 WeakPolarHBondContact CB-OD1 3.18Å; D387-N1082 VanDerWaalsContact CG-ND2 3.28Å; D387-N1082 PolarHBondContact OD2-ND2 2.61Å; D387-N1082 PolarHBondContact OD2-OD1 3.4Å
388F84.9Confident79Confident41 Ų4147.7 Ų47.718%0.1822%0.218CC..SBendtrans59.411.1172.6-48.8-62.3000115.1D328 M329 R331 N386 R390D328-F388 HydrophobicContact CB-CB 3.96Å; D328-F388 HydrophobicContact CB-CD1 4.1Å; D328-F388 HydrophobicContact CB-CG 4.42Å; D328-F388 WeakPolarHBondContact O-CB 3.34Å; M329-F388 WeakPolarHBondContact CA-O 3.5Å; M329-F388 WeakPolarHBondContact CB-O 3.46Å; M329-F388 PolarHBondContact N-O 3.14Å; R331-F388 HydrophobicContact CB-CD2 4.46Å; N386-F388 PolarHBondContact OD1-N 3.3Å; F388-R390 PolarHBondContact O-N 3.16Å
389T82.8Confident77.9Confident6 Ų654.5 Ų54.54%0.03725%0.246CC..  trans-70.7-12.8177.155.20000113.6D387 L391 G774 N775 W1028 C1080 N1082D387-T389 PolarHBondContact O-N 3.31Å; D387-T389 WeakPolarHBondContact OD1-CB 3.49Å; D387-T389 WeakPolarHBondContact OD1-CG2 3.41Å; D387-T389 PolarHBondContact OD1-N 3.3Å; D387-T389 VanDerWaalsContact OD1-N 3.13Å; D387-T389 PolarHBondContact OD1-OG1 2.97Å; T389-L391 PolarHBondContact O-N 2.8Å; T389-G774 WeakPolarHBondContact OG1-CA 3.32Å; T389-N775 PolarHBondContact OG1-N 2.77Å; T389-W1028 HydrophobicContact CG2-CH2 4.14Å; T389-W1028 HydrophobicContact CG2-CZ2 4.03Å; T389-W1028 VanDerWaalsContact O-CE2 3.25Å; T389-W1028 VanDerWaalsContact O-CZ2 3.27Å; T389-W1028 WeakPolarHBondContact O-CZ2 3.18Å; T389-W1028 PolarHBondContact O-NE1 3.28Å; T389-C1080 HydrophobicContact CG2-CB 4.25Å; T389-N1082 WeakPolarHBondContact CG2-OD1 3.31Å
390R81.9Confident77.2Confident44 Ų4451.7 Ų51.717%0.16624%0.239CC..SBendtrans-69.7121.3173.9-174.4175.3168.7-160.8-10.7110.1F388 T392 E395 E759F388-R390 PolarHBondContact O-N 3.16Å; R390-T392 HydrophobicContact CB-CG2 4.4Å; R390-T392 HydrophobicContact CG-CG2 3.96Å; R390-T392 PolarHBondContact O-N 3.31Å; R390-E395 IonicContact CZ-OE1 3.24Å; R390-E395 IonicContact CZ-OE2 3.92Å; R390-E395 IonicContact NE-OE1 3.38Å; R390-E395 PolarHBondContact NE-OE1 2.97Å; R390-E395 IonicContact NE-OE2 3.09Å; R390-E395 VanDerWaalsContact NH2-CD 3.35Å; R390-E395 IonicContact NH2-OE1 2.74Å; R390-E395 PolarHBondContact NH2-OE1 2.86Å; R390-E395 IonicContact NH2-OE2 3.99Å; R390-E395 PolarHBondContact NH2-OE2 2.95Å; R390-E759 WeakPolarHBondContact CD-OE2 3.35Å; R390-E759 IonicContact CZ-OE2 3.91Å; R390-E759 IonicContact NE-OE2 3.71Å; R390-E759 IonicContact NH1-OE2 2.67Å; R390-E759 PolarHBondContact NH1-OE2 3.37Å
391L82.2Confident76.1Confident0 Ų053 Ų530%024%0.244CC..  trans-83.864.5-177.6-50.1176.8000109.8M329 T389 H393 M394 V772 M1013 W1028M329-L391 HydrophobicContact CG-CD2 4.45Å; M329-L391 HydrophobicContact SD-CD2 3.44Å; M329-L391 WeakPolarHBondContact SD-CD2 3.4Å; T389-L391 PolarHBondContact O-N 2.8Å; L391-H393 PolarHBondContact O-N 2.99Å; L391-M394 HydrophobicContact CB-CB 4.2Å; L391-M394 HydrophobicContact CB-CG 3.98Å; L391-M394 WeakPolarHBondContact O-CB 3.44Å; L391-M394 PolarHBondContact O-N 3.17Å; L391-V772 HydrophobicContact CB-CB 4Å; L391-V772 HydrophobicContact CB-CG1 4.28Å; L391-V772 HydrophobicContact CD1-CB 4.42Å; L391-V772 HydrophobicContact CD1-CG1 4.18Å; L391-V772 PolarHBondContact N-O 2.95Å; L391-M1013 HydrophobicContact CD1-CE 3.7Å; L391-M1013 HydrophobicContact CD1-SD 4.36Å; L391-M1013 HydrophobicContact CD2-CE 4.07Å; L391-M1013 HydrophobicContact CD2-SD 4.11Å; L391-W1028 HydrophobicContact CD2-CZ2 4.1Å
392T77.1Confident74.7Confident46 Ų4657.6 Ų57.628%0.28226%0.262SS..G310 helixtrans-51.8-35.9-175.447.80000113.2D328 R390 M394 E395D328-T392 PolarHBondContact OD2-OG1 2.73Å; R390-T392 HydrophobicContact CB-CG2 4.4Å; R390-T392 HydrophobicContact CG-CG2 3.96Å; R390-T392 PolarHBondContact O-N 3.31Å; T392-M394 VanDerWaalsContact C-N 3.31Å; T392-M394 PolarHBondContact O-N 3.27Å; T392-E395 PolarHBondContact O-N 3.48Å
393H80.9Confident72.8Confident44 Ų4464 Ų6420%0.20429%0.286CS..G310 helixtrans-65.6-27.7175.561.8-60.4000114.2H325 A327 L391 P1024 N1025H325-H393 AromaticContact CE1-CD2 3.7Å; H325-H393 AromaticContact CE1-NE2 3.85Å; A327-H393 WeakPolarHBondContact CB-CE1 3.39Å; A327-H393 WeakPolarHBondContact CB-ND1 3.34Å; L391-H393 PolarHBondContact O-N 2.99Å; H393-P1024 PolarHBondContact NE2-O 3.14Å; H393-N1025 PolarHBondContact CD2-OD1 2.76Å; H393-N1025 VanDerWaalsContact CD2-OD1 3.26Å; H393-N1025 PolarHBondContact NE2-OD1 2.85Å
394M77.4Confident70.9Confident15 Ų1570.8 Ų70.87%0.07432%0.317CS..G310 helixtrans-87.1-9.6-179.6-58-58.4-56.400113.7L391 T392 R396 E397 N398 V772 N1025L391-M394 HydrophobicContact CB-CB 4.2Å; L391-M394 HydrophobicContact CB-CG 3.98Å; L391-M394 WeakPolarHBondContact O-CB 3.44Å; L391-M394 PolarHBondContact O-N 3.17Å; T392-M394 VanDerWaalsContact C-N 3.31Å; T392-M394 PolarHBondContact O-N 3.27Å; M394-R396 PolarHBondContact O-N 2.7Å; M394-R396 VanDerWaalsContact O-N 3.13Å; M394-E397 VanDerWaalsContact CE-OE2 3.23Å; M394-E397 WeakPolarHBondContact CE-OE2 3.44Å; M394-E397 PolarHBondContact O-N 2.81Å; M394-N398 PolarHBondContact O-N 2.76Å; M394-V772 HydrophobicContact CB-CG1 3.91Å; M394-N1025 HydrophobicContact CE-CB 4.4Å; M394-N1025 HydrophobicContact SD-CB 3.91Å; M394-N1025 PolarHBondContact SD-OD1 2.71Å; M394-N1025 VanDerWaalsContact SD-OD1 3.4Å
395E68.4Low69.1Low53 Ų5370.4 Ų70.425%0.24832%0.32CS..THydrogen-bonded Turntrans-66.9-15.6-174.1-64.9-166.9159.400113.8R390 T392 E397 N398 V772R390-E395 IonicContact CZ-OE1 3.24Å; R390-E395 IonicContact CZ-OE2 3.92Å; R390-E395 IonicContact NE-OE1 3.38Å; R390-E395 PolarHBondContact NE-OE1 2.97Å; R390-E395 IonicContact NE-OE2 3.09Å; R390-E395 VanDerWaalsContact NH2-CD 3.35Å; R390-E395 IonicContact NH2-OE1 2.74Å; R390-E395 PolarHBondContact NH2-OE1 2.86Å; R390-E395 IonicContact NH2-OE2 3.99Å; R390-E395 PolarHBondContact NH2-OE2 2.95Å; T392-E395 PolarHBondContact O-N 3.48Å; E395-E397 PolarHBondContact O-N 2.68Å; E395-N398 CarbonylContact O-C 3.56Å; E395-V772 HydrophobicContact CG-CG2 4.44Å
396R61.2Low67.4Low246 Ų24673 Ų7393%0.92834%0.337SS*.THydrogen-bonded Turntrans-66.4-26.5170.9-67.8-175.9177.7-176.60.9113M394M394-R396 PolarHBondContact O-N 2.7Å; M394-R396 VanDerWaalsContact O-N 3.13Å
397E57.6Low65.9Low148 Ų14876.1 Ų76.169%0.69235%0.352SS*.THydrogen-bonded Turntrans-95.4-28.2178.7-59.1-178.6173.500111.4M394 E395M394-E397 VanDerWaalsContact CE-OE2 3.23Å; M394-E397 WeakPolarHBondContact CE-OE2 3.44Å; M394-E397 PolarHBondContact O-N 2.81Å; E395-E397 PolarHBondContact O-N 2.68Å
398N56.2Low64.7Low60 Ų6080 Ų8032%0.32137%0.366SS..  trans-124.5101.8-176.7-71.2-71.6000112.5M394 E395 C400 V772M394-N398 PolarHBondContact O-N 2.76Å; E395-N398 CarbonylContact O-C 3.56Å; N398-C400 VanDerWaalsContact C-N 3.25Å; N398-C400 PolarHBondContact O-N 3.48Å; N398-V772 HydrophobicContact CB-CG2 4.01Å
399K57.1Low63.2Low159 Ų15982.2 Ų82.269%0.69138%0.38SS*.  trans-69.967.9175.9-63.1-170.6-170.1-178.30113.2F401 E404K399-F401 PolarHBondContact O-N 3.27Å; K399-E404 WeakPolarHBondContact CD-OE1 3.46Å; K399-E404 IonicContact NZ-OE1 2.64Å; K399-E404 PolarHBondContact NZ-OE1 2.88Å
400C61.7Low62Low30 Ų3088.9 Ų88.920%0.20341%0.411CS..  trans-75.5-21.4-176.2-76.40000115.7N398 C770 V772N398-C400 VanDerWaalsContact C-N 3.25Å; N398-C400 PolarHBondContact O-N 3.48Å; C400-C770 HydrophobicContact CB-CB 3.68Å; C400-C770 WeakPolarHBondContact CB-SG 3.49Å; C400-C770 WeakPolarHBondContact SG-CB 3.25Å; C400-C770 CovalentContact SG-SG 2.02Å; C400-C770 PolarHBondContact SG-SG 2.82Å; C400-V772 HydrophobicContact CB-CG2 4.4Å; C400-V772 WeakPolarHBondContact SG-CG2 3.32Å
401F55.9Low60.7Low42 Ų4293.2 Ų93.218%0.18443%0.43CS..SBendtrans-82-25.3-169.2-120.5-76.7000115.1K399 F758 R762K399-F401 PolarHBondContact O-N 3.27Å; F401-F758 HydrophobicContact CE1-CB 3.66Å; F401-F758 WeakPolarHBondContact CE1-O 3.33Å; F401-F758 HydrophobicContact CZ-CB 3.91Å; F401-F758 WeakPolarHBondContact CZ-O 3.24Å; F401-R762 HydrophobicContact CE1-CG 4.24Å; F401-R762 HydrophobicContact CE2-CG 4.47Å; F401-R762 HydrophobicContact CZ-CG 3.77Å
402Y53.7Low59.3Low98 Ų9897.3 Ų97.338%0.38445%0.448SS..  trans-123.3119.5-171.1-55.4-71.3000111.3E404 F414Y402-E404 PolarHBondContact O-N 3.14Å; Y402-E404 VanDerWaalsContact O-N 3.16Å; Y402-F414 HydrophobicContact CE1-CE2 4.43Å; Y402-F414 HydrophobicContact CE1-CZ 4.16Å; Y402-F414 HydrophobicContact CE2-CZ 4.45Å; Y402-F414 AromaticContact CZ-CZ 3.7Å; Y402-F414 VanDerWaalsContact OH-CZ 3.22Å; Y402-F414 WeakPolarHBondContact OH-CZ 3.38Å
403R47.7Very low58.4Low167 Ų16795.4 Ų95.463%0.6344%0.438SS*.  trans-69.2108.4159.5-179177.9178.6178.1-2107.6S405R403-S405 PolarHBondContact O-N 3.45Å
404E50.1Low57.2Low142 Ų14298.5 Ų98.566%0.66445%0.451SS*.  trans-64.885.7172.7-69.9-173.6172.300110.3K399 Y402K399-E404 WeakPolarHBondContact CD-OE1 3.46Å; K399-E404 IonicContact NZ-OE1 2.64Å; K399-E404 PolarHBondContact NZ-OE1 2.88Å; Y402-E404 PolarHBondContact O-N 3.14Å; Y402-E404 VanDerWaalsContact O-N 3.16Å
405S53.3Low56.4Low28 Ų28104 Ų10420%0.19647%0.472CS..  trans-137.8121.8174.3-179.10000106.5R403 I407 Y408 L409R403-S405 PolarHBondContact O-N 3.45Å; S405-I407 PolarHBondContact O-N 2.92Å; S405-Y408 WeakPolarHBondContact O-CA 3.16Å; S405-Y408 WeakPolarHBondContact O-CB 3.26Å; S405-Y408 PolarHBondContact O-N 2.83Å; S405-L409 PolarHBondContact O-N 3.12Å; S405-L409 VanDerWaalsContact O-N 3.16Å
406P55.1Low56.1Low95 Ų95107.8 Ų107.862%0.61749%0.488SS*.Hα-helixtrans-52-44.6179.8-29.636.1000112Y408 L409 E410P406-Y408 PolarHBondContact O-N 2.89Å; P406-Y408 VanDerWaalsContact O-N 3.14Å; P406-L409 CarbonylContact O-C 3.57Å; P406-L409 PolarHBondContact O-N 2.96Å; P406-E410 WeakPolarHBondContact O-CB 3.47Å; P406-E410 WeakPolarHBondContact O-CG 3.1Å; P406-E410 PolarHBondContact O-N 3.49Å
407I56.4Low56Low123 Ų12398.4 Ų98.463%0.63145%0.453SS*.Hα-helixtrans-59.4-27177.1-57165.6000113S405 K411S405-I407 PolarHBondContact O-N 2.92Å; I407-K411 WeakPolarHBondContact O-CB 3.3Å
408Y56.8Low56.4Low92 Ų9294.2 Ų94.236%0.36143%0.434SS..Hα-helixtrans-79.5-41.7174.8-168.2-90.3000111S405 P406 K411 F412S405-Y408 WeakPolarHBondContact O-CA 3.16Å; S405-Y408 WeakPolarHBondContact O-CB 3.26Å; S405-Y408 PolarHBondContact O-N 2.83Å; P406-Y408 PolarHBondContact O-N 2.89Å; P406-Y408 VanDerWaalsContact O-N 3.14Å; Y408-K411 PolarHBondContact O-N 2.77Å; Y408-F412 HydrophobicContact CD1-CB 4.27Å; Y408-F412 AromaticContact CD2-CD2 3.59Å; Y408-F412 HydrophobicContact CD2-CD2 3.59Å; Y408-F412 HydrophobicContact CD2-CE2 4.11Å; Y408-F412 HydrophobicContact CD2-CG 4.44Å; Y408-F412 HydrophobicContact CE1-CB 3.91Å; Y408-F412 HydrophobicContact CE2-CB 4.35Å; Y408-F412 AromaticContact CE2-CD2 3.59Å; Y408-F412 HydrophobicContact CE2-CD2 3.59Å; Y408-F412 HydrophobicContact CE2-CE2 4.1Å; Y408-F412 HydrophobicContact CE2-CG 4.11Å; Y408-F412 HydrophobicContact CG-CD2 4.09Å; Y408-F412 WeakPolarHBondContact O-CA 3.44Å; Y408-F412 WeakPolarHBondContact O-CB 3.44Å; Y408-F412 PolarHBondContact O-N 3.09Å
409L54.8Low56.8Low88 Ų8896.9 Ų96.946%0.46144%0.442SS..Hα-helixtrans-66.8-37.3175.4-68.7169.8000112S405 P406 K411 G413 Y415S405-L409 PolarHBondContact O-N 3.12Å; S405-L409 VanDerWaalsContact O-N 3.16Å; P406-L409 CarbonylContact O-C 3.57Å; P406-L409 PolarHBondContact O-N 2.96Å; L409-K411 PolarHBondContact O-N 3.16Å; L409-G413 VanDerWaalsContact O-CA 3.28Å; L409-G413 WeakPolarHBondContact O-CA 3.36Å; L409-G413 PolarHBondContact O-N 3.25Å; L409-G413 VanDerWaalsContact O-N 3.07Å; L409-Y415 WeakPolarHBondContact O-CE1 3.45Å
410E56.6Low57.5Low147 Ų14792.9 Ų92.969%0.68743%0.427SS*.Hα-helixtrans-71.2-5.5174.3-70177.2139.800114.5P406 Y415P406-E410 WeakPolarHBondContact O-CB 3.47Å; P406-E410 WeakPolarHBondContact O-CG 3.1Å; P406-E410 PolarHBondContact O-N 3.49Å; E410-Y415 VanDerWaalsContact C-OH 3.27Å; E410-Y415 PolarHBondContact O-OH 2.8Å
411K53.8Low58.1Low134 Ų13493.9 Ų93.958%0.58343%0.431SS*.Hα-helixtrans-129.5-23.7-174.1-167.8166.5-176.3167.10114.8I407 Y408 L409 Y415I407-K411 WeakPolarHBondContact O-CB 3.3Å; Y408-K411 PolarHBondContact O-N 2.77Å; L409-K411 PolarHBondContact O-N 3.16Å; K411-Y415 WeakPolarHBondContact CA-OH 3.16Å; K411-Y415 PolarHBondContact N-OH 3.14Å
412F54.4Low58.4Low86 Ų8699 Ų9938%0.37746%0.455SS..Hα-helixtrans-138.918.4-176.9-54.6-80.5000112.1Y408Y408-F412 HydrophobicContact CD1-CB 4.27Å; Y408-F412 AromaticContact CD2-CD2 3.59Å; Y408-F412 HydrophobicContact CD2-CD2 3.59Å; Y408-F412 HydrophobicContact CD2-CE2 4.11Å; Y408-F412 HydrophobicContact CD2-CG 4.44Å; Y408-F412 HydrophobicContact CE1-CB 3.91Å; Y408-F412 HydrophobicContact CE2-CB 4.35Å; Y408-F412 AromaticContact CE2-CD2 3.59Å; Y408-F412 HydrophobicContact CE2-CD2 3.59Å; Y408-F412 HydrophobicContact CE2-CE2 4.1Å; Y408-F412 HydrophobicContact CE2-CG 4.11Å; Y408-F412 HydrophobicContact CG-CD2 4.09Å; Y408-F412 WeakPolarHBondContact O-CA 3.44Å; Y408-F412 WeakPolarHBondContact O-CB 3.44Å; Y408-F412 PolarHBondContact O-N 3.09Å
413G57.2Low58.7Low6 Ų6101.1 Ų101.16%0.06247%0.468CS..SBendtrans-69.9168.2177.400000113.8L409 Y415 K416L409-G413 VanDerWaalsContact O-CA 3.28Å; L409-G413 WeakPolarHBondContact O-CA 3.36Å; L409-G413 PolarHBondContact O-N 3.25Å; L409-G413 VanDerWaalsContact O-N 3.07Å; G413-Y415 PolarHBondContact O-N 3.14Å; G413-K416 PolarHBondContact O-N 2.87Å; G413-K416 VanDerWaalsContact O-N 3.08Å
414F57.1Low59Low110 Ų110102.5 Ų102.548%0.48248%0.482SS..G310 helixtrans-54.2-30.6-173.4-70-81.4000115Y402 K416 Y417 M418Y402-F414 HydrophobicContact CE1-CE2 4.43Å; Y402-F414 HydrophobicContact CE1-CZ 4.16Å; Y402-F414 HydrophobicContact CE2-CZ 4.45Å; Y402-F414 AromaticContact CZ-CZ 3.7Å; Y402-F414 VanDerWaalsContact OH-CZ 3.22Å; Y402-F414 WeakPolarHBondContact OH-CZ 3.38Å; F414-K416 PolarHBondContact O-N 3.47Å; F414-Y417 PolarHBondContact O-N 3.32Å; F414-M418 HydrophobicContact CB-SD 4.1Å; F414-M418 PolarHBondContact O-N 3.3Å; F414-M418 VanDerWaalsContact O-N 3.13Å
415Y59.8Low58.8Low130 Ų130101.7 Ų101.751%0.5148%0.482SS..G310 helixtrans-57-17.317771-87.1000114.3L409 E410 K411 G413 M418L409-Y415 WeakPolarHBondContact O-CE1 3.45Å; E410-Y415 VanDerWaalsContact C-OH 3.27Å; E410-Y415 PolarHBondContact O-OH 2.8Å; K411-Y415 WeakPolarHBondContact CA-OH 3.16Å; K411-Y415 PolarHBondContact N-OH 3.14Å; G413-Y415 PolarHBondContact O-N 3.14Å; Y415-M418 VanDerWaalsContact O-O 3.11Å
416K60.9Low58.3Low133 Ų133107.7 Ų107.758%0.57851%0.512SS*.G310 helixtrans-80.2-19.5173.8-173.8171179.4-178.30113.2G413 F414G413-K416 PolarHBondContact O-N 2.87Å; G413-K416 VanDerWaalsContact O-N 3.08Å; F414-K416 PolarHBondContact O-N 3.47Å
417Y59.9Low57.7Low49 Ų49112.3 Ų112.319%0.19252%0.517CS..THydrogen-bonded Turntrans-106.8-13.9-176.8-51.3-65.3000112.5F414 M756 F758F414-Y417 PolarHBondContact O-N 3.32Å; Y417-M756 HydrophobicContact CD1-CE 4.27Å; Y417-M756 HydrophobicContact CD1-SD 3.32Å; Y417-M756 WeakPolarHBondContact CD1-SD 3.27Å; Y417-M756 HydrophobicContact CE1-CE 4.4Å; Y417-M756 HydrophobicContact CE1-SD 3.25Å; Y417-M756 WeakPolarHBondContact CE1-SD 3.31Å; Y417-M756 HydrophobicContact CG-SD 4.33Å; Y417-F758 AromaticContact CD2-CE1 3.89Å; Y417-F758 HydrophobicContact CD2-CE1 3.89Å; Y417-F758 HydrophobicContact CD2-CZ 4.07Å; Y417-F758 AromaticContact CE2-CE1 3.87Å; Y417-F758 HydrophobicContact CE2-CE1 3.87Å; Y417-F758 HydrophobicContact CG-CE1 4.37Å; Y417-F758 HydrophobicContact CG-CZ 4.34Å
418M66.1Low56.8Low60 Ų60113.4 Ų113.430%0.29652%0.524SS..EExtended strand (participates in β ladder)trans-91.8115166.4-59.6159.366.600108.1F414 Y415 F751 V753F414-M418 HydrophobicContact CB-SD 4.1Å; F414-M418 PolarHBondContact O-N 3.3Å; F414-M418 VanDerWaalsContact O-N 3.13Å; Y415-M418 VanDerWaalsContact O-O 3.11Å; M418-F751 HydrophobicContact CB-CB 4.45Å; M418-F751 HydrophobicContact CB-CD2 4.05Å; M418-F751 HydrophobicContact CE-CB 4.44Å; M418-F751 HydrophobicContact CE-CD1 3.93Å; M418-F751 HydrophobicContact CE-CD2 3.62Å; M418-F751 HydrophobicContact CE-CE1 4.05Å; M418-F751 HydrophobicContact CE-CE2 3.75Å; M418-F751 HydrophobicContact CE-CG 3.73Å; M418-F751 HydrophobicContact CE-CZ 3.97Å; M418-F751 HydrophobicContact CG-CD2 3.81Å; M418-F751 HydrophobicContact CG-CE2 4.13Å; M418-V753 HydrophobicContact CG-CG2 4.14Å
419K65Low55.8Low115 Ų115118.3 Ų118.350%0.555%0.547SS..EExtended strand (participates in β ladder)trans-81.7120159.5-161.2-156.2175.5-164.70106.2D421 E422 F751 S752K419-D421 PolarHBondContact O-N 2.94Å; K419-E422 WeakPolarHBondContact CE-OE1 3.33Å; K419-E422 IonicContact NZ-OE1 2.92Å; K419-E422 PolarHBondContact NZ-OE1 2.79Å; K419-F751 CarbonylContact O-C 3.6Å; K419-F751 VanDerWaalsContact O-CA 3.27Å; K419-F751 WeakPolarHBondContact O-CA 3.21Å; K419-F751 WeakPolarHBondContact O-CB 3.31Å; K419-S752 PolarHBondContact N-O 2.74Å; K419-S752 PolarHBondContact O-N 3.39Å
420M71.6Confident54.7Low75 Ų75121.4 Ų121.437%0.36956%0.557SS.*EExtended strand (participates in β ladder)trans-63.6135.9164-58.1-49.7-57.300107.4R749 T750 F751M420-R749 HydrophobicContact CE-CG 3.79Å; M420-T750 WeakPolarHBondContact CE-O 3.44Å; M420-F751 HydrophobicContact CE-CB 4.01Å; M420-F751 HydrophobicContact SD-CB 3.84Å
421D72.9Confident53.7Low52 Ų52122.2 Ų122.228%0.27856%0.559SS.*PPolyproline II helixtrans-70137.6174.8-53-43000107.8K419 T750 F751 S752K419-D421 PolarHBondContact O-N 2.94Å; D421-T750 PolarHBondContact N-O 3.17Å; D421-T750 WeakPolarHBondContact OD2-CB 3.4Å; D421-T750 PolarHBondContact OD2-OG1 3.38Å; D421-F751 WeakPolarHBondContact OD2-CA 3.34Å; D421-F751 PolarHBondContact OD2-N 3.47Å; D421-S752 WeakPolarHBondContact OD1-CB 3.46Å; D421-S752 PolarHBondContact OD1-N 3.03Å; D421-S752 PolarHBondContact OD1-OG 3.12Å
422E63.2Low53.1Low149 Ų149121.6 Ų121.670%0.69657%0.568SS**PPolyproline II helixtrans-79141.5-174.8-77159.2-13600109.7K419 E424K419-E422 WeakPolarHBondContact CE-OE1 3.33Å; K419-E422 IonicContact NZ-OE1 2.92Å; K419-E422 PolarHBondContact NZ-OE1 2.79Å; E422-E424 PolarHBondContact O-N 3.35Å
423E60.3Low52Low143 Ų143124.2 Ų124.267%0.66859%0.587SS**PPolyproline II helixtrans-71.5129.5178.9-63.6-177.916200109.4D425E423-D425 PolarHBondContact O-N 3.01Å
424E54.2Low51.6Low195 Ų195128.9 Ų128.991%0.91162%0.615SS**  trans-69.592174.4-66.8-175.3137.900109E422 D426E422-E424 PolarHBondContact O-N 3.35Å; E424-D426 PolarHBondContact O-N 2.79Å
425D45.1Very low50.5Low126 Ų126131.3 Ų131.367%0.67463%0.633SS**  trans-70.992.1178.1-170.815000109.9E423 R427E423-D425 PolarHBondContact O-N 3.01Å; D425-R427 PolarHBondContact O-N 3.43Å; D425-R427 VanDerWaalsContact OD1-CD 3.29Å; D425-R427 WeakPolarHBondContact OD1-CD 3.44Å; D425-R427 WeakPolarHBondContact OD1-CG 3.45Å; D425-R427 IonicContact OD1-NE 3.52Å
426D43.9Very low49.3Very low154 Ų154132 Ų13282%0.82465%0.646SS**  trans-73.255.3-169.7-144.82.9000112.4E424E424-D426 PolarHBondContact O-N 2.79Å
427R41.4Very low47.8Very low191 Ų191134 Ų13472%0.72166%0.655SS**  trans-11882.2-172-74.6-172.9171.2-157.2-3112.6D425 F429D425-R427 PolarHBondContact O-N 3.43Å; D425-R427 VanDerWaalsContact OD1-CD 3.29Å; D425-R427 WeakPolarHBondContact OD1-CD 3.44Å; D425-R427 WeakPolarHBondContact OD1-CG 3.45Å; D425-R427 IonicContact OD1-NE 3.52Å; R427-F429 PolarHBondContact O-N 3.2Å
428L38.8Very low46.5Very low147 Ų147137.9 Ų137.977%0.7768%0.679SS**  trans-48.7115.2171.4-69.2163000113.3F430L428-F430 HydrophobicContact CD2-CE2 4.32Å
429F34.8Very low44.8Very low195 Ų195143.2 Ų143.286%0.85570%0.703SS**  trans-120.995.2161.6-87-83.1000110.8R427R427-F429 PolarHBondContact O-N 3.2Å
430F32.1Very low43.2Very low152 Ų152146.3 Ų146.367%0.66772%0.719SS**  trans-68.3155.2158.3-74.7-165.8000108.8L428L428-F430 HydrophobicContact CD2-CE2 4.32Å
431F34.5Very low41.3Very low164 Ų164151.3 Ų151.372%0.71974%0.742SS**  cis-166.2-177.2-3.7-111.5-31.2000106.3
432P41.1Very low39.1Very low121 Ų121156.5 Ų156.579%0.78676%0.764SS**  cis-128.4-170.813.340.6-21.7000115.4
433N32.5Very low37.4Very low142 Ų142154.4 Ų154.476%0.75976%0.761SS**  trans-74.2156.9-177.3-14454.3000112.9
434P48.2Very low35.8Very low103 Ų103152.9 Ų152.967%0.66976%0.762SS**  trans-84134.8178.533.3-33.6000112.6
435D33.4Very low34.6Very low161 Ų161150.6 Ų150.686%0.86176%0.755SS**  trans-174.586.5152.8-100.8-29.8000108
436D34.7Very low34.1Very low146 Ų146148.3 Ų148.378%0.78175%0.754SS**  trans-148.887.8171.8-137.623.2000110.4
437F30.7Very low33.6Very low173 Ų173149.7 Ų149.776%0.75976%0.755SS**  trans59.697.9159.2-62.7-85.3000122.1
438L32.9Very low33.3Very low132 Ų132146.7 Ų146.769%0.69175%0.754SS**  43.9119112.1-62.3177.1000121.5
439E30.5Very low33Very low171 Ų171147.6 Ų147.680%0.79975%0.754SS**  48.2156.9114.1-59.8-172.3135.400123.6
440E30.5Very low32.9Very low180 Ų180142.1 Ų142.184%0.84175%0.745SS**  trans70.2121.4178.5-58.5-176.3166.400114.1
441E30.9Very low32.8Very low181 Ų181143.1 Ų143.185%0.84675%0.751SS**  57.8134.977-65.6-162.6150.100112
442E27.1Very low32.6Very low161 Ų161141.7 Ų141.775%0.75275%0.75SS**  cis-161.9157.238.7-142.9-159.7163.300112.7
443V27.2Very low32Very low105 Ų105142.1 Ų142.164%0.63675%0.75SS**  trans66.6121.3132.3142.20000124.5
444V27.5Very low31.7Very low111 Ų111138 Ų13867%0.67374%0.741SS**  trans81.4122.3133.8168.10000122.8
445D28.1Very low30.8Very low146 Ų146139.3 Ų139.378%0.78175%0.748SS**  30.4154.3128.3-46.3-27.4000122.1
446A35.4Very low30.4Very low78 Ų78140.3 Ų140.365%0.64575%0.746SS**  cis-175.4-165.9-20.100000107.2
447E33.5Very low30.6Very low183 Ų183138.8 Ų138.886%0.85575%0.748SS**  trans69.5144156.7-73.5175.3-163.500117.3
448D34Very low30.8Very low129 Ų129136.4 Ų136.469%0.6975%0.749SS**  cis-160.1-159.1-19.1-145.4-22.9000110.1
449E34.4Very low30.4Very low166 Ų166141.7 Ų141.778%0.77676%0.76SS**  trans74.798.9170.6-55.1-64.9173.200114.9
450A32.2Very low30.6Very low79 Ų79143 Ų14365%0.65376%0.763SS**  cis80.1128.930.100000116
451E29.6Very low31Very low173 Ų173140.2 Ų140.281%0.80876%0.76SS**  trans165.6150.6154.2-93.2-142.1144.100109.4
452I30.5Very low30.7Very low134 Ų134136.8 Ų136.869%0.68776%0.756SS**  cis-159156.5-34.4-129.3177.7000109.7
453V28.4Very low30.8Very low130 Ų130137.5 Ų137.579%0.78876%0.759SS**  trans21.8138.4159.1-1790000122.1
454G26.3Very low31.2Very low55 Ų55137.4 Ų137.457%0.56776%0.761SS**  trans-101-151.5171.200000116.7
455T28.9Very low31.2Very low132 Ų132136.9 Ų136.981%0.8176%0.762SS**  trans74133.7-169.376.50000113.3
456H25.7Very low31.3Very low181 Ų181138.9 Ų138.984%0.83877%0.767SS**  cis-147.3164.642.5-87-103000113.8
457S38Very low30.9Very low115 Ų115140 Ų14080%0.80477%0.77SS**  trans-99.2145.8160.4-71.80000111.1
458P35.5Very low30.9Very low122 Ų122135.1 Ų135.179%0.79276%0.756SS**  -152.7155.6107.937.7-20.2000118.1
459R24.7Very low30.6Very low243 Ų243136.4 Ų136.492%0.91776%0.757SS**  trans25121.7148.9-64179.4173.3175.3-2.2122.4
460K34.2Very low30.3Very low200 Ų200135.2 Ų135.287%0.8775%0.754SS**  trans12.4142.4133.6-86.6-172.3176.7-174.70120
461P39.8Very low30.1Very low120 Ų120138.4 Ų138.478%0.77976%0.755SS**  -117.7-145.358.740.3-30.9000113.5
462S23.1Very low30Very low109 Ų109136.8 Ų136.876%0.76275%0.752SS**  cis-158.5178.53.429.90000112.1
463H28.9Very low29.7Very low176 Ų176135.7 Ų135.782%0.81576%0.756SS**  trans-118.9155.3174.1-91.9-67.3000112.7
464P36Very low29.5Very low103 Ų103133.7 Ų133.767%0.66975%0.747SS**  -103.2178.396.6-20.437.6000115
465S28.2Very low29.6Very low100 Ų100138.7 Ų138.770%0.69976%0.756SS**  cis72.91378.1660000118.8
466Q30.8Very low29.5Very low189 Ų189139 Ų13988%0.88375%0.748SS**  cis-158.4170.6-1.5-107165.7-3.600107.4
467S27.1Very low29.5Very low102 Ų102138.1 Ų138.171%0.71374%0.744SS**  cis-126.1-163.422.864.20000111.5
468S31.7Very low28.9Very low79 Ų79137.7 Ų137.755%0.55274%0.741SS**  cis77.4144.67.477.50000118.5
469H28.6Very low28.5Very low156 Ų156141.7 Ų141.772%0.72275%0.746SS**  cis-142.6145.314.8-79-90.9000116.3
470M28.1Very low28.5Very low141 Ų141137.2 Ų137.270%0.69575%0.746SS**  45154.9128-46.5-169.381.400122
471H28.3Very low27.9Very low146 Ų146131 Ų13168%0.67674%0.739SS**  cis-160.1162.634.3-119.6-59.5000114.1
472N26.7Very low27.1Very low140 Ų140130.2 Ų130.275%0.74974%0.743SS**  trans16.9156.9146.5-60.112.4000122.1
473S24.7Very low27.5Very low111 Ų111131.5 Ų131.578%0.77675%0.746SS**  cis-157.2176.418.698.90000114.7
474S24.6Very low27.9Very low87 Ų87127 Ų12761%0.60873%0.732SS**  trans-75.9156.817850.10000116.7
475H28.3Very low27.4Very low161 Ų161126.8 Ų126.875%0.74574%0.739SS**  -174.5163.2110.9-105.6-75.6000116
476Q26Very low27.1Very low139 Ų139125.1 Ų125.165%0.6574%0.738SS**  trans-72.6167.3-178.1-48.5125.5-46.100113.8
477H27.2Very low26.9Very low162 Ų162126 Ų12675%0.7573%0.733SS**  -172.6140105-114-84.7000119.2
478S23.9Very low26.7Very low106 Ų106126.9 Ų126.974%0.74173%0.726SS**  trans63.6139.3143.857.20000124.9
479K26.8Very low26.3Very low205 Ų205131.9 Ų131.989%0.89174%0.741SS**  trans-74.8141.9165-56.9168.7176176.20113.2
480T24.7Very low26.1Very low149 Ų149133.2 Ų133.291%0.91475%0.747SS**  trans-163.8151.4137.141.30000108
481G22.3Very low25.9Very low71 Ų71135.2 Ų135.273%0.73276%0.755SS**  cis148.1128.7-3.600000112.3
482A23.3Very low25.7Very low103 Ų103136.2 Ų136.285%0.85177%0.765SS**  trans78.5121.616700000120.9
483T31.8Very low25.8Very low135 Ų135136.1 Ų136.183%0.82877%0.769SS**  trans-55.5177.5142.5210000111.4
484P36.8Very low25.8Very low81 Ų81138 Ų13853%0.52677%0.771SS.*  cis-147.4170.925.145.1-26.1000119.1K8K8-P484 PolarHBondContact NZ-O 2.84Å
485A25Very low25.8Very low99 Ų99139 Ų13982%0.81878%0.778SS**  trans46.5146133.300000124.3
486G23.3Very low25.6Very low65 Ų65137.6 Ų137.667%0.6778%0.78SS**  trans151.9105.2167.900000108.7
487R25.1Very low25.7Very low207 Ų207137.4 Ų137.478%0.78179%0.788SS**  92.8114.368.3-85.8-160149.5-155.3-27.7111.7
488E23.4Very low25.6Very low121 Ų121140.8 Ų140.857%0.56579%0.794SS**  71.5101.7102.9-68164-15800110.8
489E23.9Very low25.7Very low185 Ų185139 Ų13986%0.86479%0.793SS**  92.7106.585.7-86.4-178.5175.900113.2
490E23.1Very low25.7Very low184 Ų184140.9 Ų140.986%0.8680%0.795SS**  trans-134.3114.5151.9-76.9-175.7152.400104.8
491Q24.5Very low25.8Very low183 Ų183140.5 Ų140.586%0.85579%0.792SS**  7585.683.2-73.8-166.7-8.400114
492D25.4Very low25.9Very low167 Ų167144.2 Ų144.289%0.89380%0.795SS**  trans-68141.8160.7-84.2-56000111.9
493V27.1Very low26Very low137 Ų137144.6 Ų144.683%0.8379%0.791SS**  trans-142.4129.6156.6-174.90000108.1
494D25.6Very low25.6Very low152 Ų152149.8 Ų149.881%0.81380%0.795SS**  trans-53146.2-175.3-88.3-65.3000115.7
495S24.8Very low25Very low108 Ų108151.8 Ų151.876%0.75581%0.806SS**  trans-134.4124.115069.60000110.4V497S495-V497 PolarHBondContact O-N 2.85Å
496V24.8Very low25Very low131 Ų131157.4 Ų157.479%0.79481%0.808SS**  trans-79.8115.5-163.9177.20000112.1
497V26.9Very low25.2Very low135 Ų135160.3 Ų160.382%0.81881%0.812SS**  trans-92.4117.3169.2-179.60000110.3S495 G499S495-V497 PolarHBondContact O-N 2.85Å; V497-G499 PolarHBondContact O-N 3.41Å; V497-G499 VanDerWaalsContact O-N 3.13Å
498R25.7Very low25.3Very low232 Ų232152.8 Ų152.888%0.87580%0.799SS**  trans-88.975.9-169.6-161.8178.2-166.3171.64.4112
499G25Very low25.7Very low70 Ų70153.3 Ų153.372%0.72281%0.813SS**PPolyproline II helixtrans-55.7135176.700000112.8V497V497-G499 PolarHBondContact O-N 3.41Å; V497-G499 VanDerWaalsContact O-N 3.13Å
500R28.3Very low25.9Very low244 Ų244149.2 Ų149.292%0.92181%0.811SS**PPolyproline II helixtrans-100.1120.2175.1-68.2179.7177.9172.7-1.2109.4
501T25.4Very low26.2Very low140 Ų140148.4 Ų148.486%0.85981%0.812SS**PPolyproline II helixtrans-70.4133.3178.1-43.70000111.2
502L25Very low26.3Very low150 Ų150148.8 Ų148.879%0.78581%0.814SS**PPolyproline II helixtrans-89.7123.7167-71.8168.9000109.4
503S24.5Very low26.4Very low110 Ų110147.8 Ų147.877%0.76981%0.809SS**PPolyproline II helixtrans-91.9118.3175.953.60000110.6
504W24.8Very low26.3Very low244 Ų244147.2 Ų147.292%0.92480%0.8SS**PPolyproline II helixtrans-82.6130.4171.9-73.298000110.8
505V24.6Very low26.3Very low124 Ų124145.3 Ų145.375%0.75279%0.79SS**PPolyproline II helixtrans-87.2127176176.40000108.8T507V505-T507 PolarHBondContact O-N 3.42Å
506Y23.5Very low26.4Very low217 Ų217147.9 Ų147.985%0.85179%0.788SS**  trans-85.2105.9179.1-168.9-91.9000110.5
507T28.7Very low26.5Very low125 Ų125151.2 Ų151.277%0.76779%0.791SS**  trans-92.2101.2174.951.80000110.2V505V505-T507 PolarHBondContact O-N 3.42Å
508G26.8Very low26.5Very low49 Ų49148.5 Ų148.551%0.50578%0.784SS.*  trans-70.9153.5169.700000112
509P30.6Very low26.5Very low133 Ų133147.2 Ų147.286%0.86478%0.784SS**  trans-67.5140.5172.330.1-34.3000110.3
510A28.2Very low26.6Very low98 Ų98147.3 Ų147.381%0.8178%0.778SS**  trans-110.9106.617800000110.3Q512A510-Q512 PolarHBondContact O-N 2.84Å
511D29.2Very low26.5Very low167 Ų167145.1 Ų145.189%0.89378%0.778SS**  trans-70.3121.3168.8-74.2-44.7000110.4
512Q27.1Very low26.4Very low191 Ų191142.2 Ų142.289%0.89378%0.776SS**  trans-145.8127.8155.1-71.7-165.38.100110A510A510-Q512 PolarHBondContact O-N 2.84Å
513D27Very low26.3Very low146 Ų146139 Ų13978%0.78178%0.779SS**  trans-155.1159131.3-148.6-5.3000113.6
514L26.2Very low26.4Very low126 Ų126145.8 Ų145.866%0.6679%0.788SS**  trans6894.9159.5-51.8-174.4000120.7
515N25.6Very low26.4Very low111 Ų111136.9 Ų136.959%0.59477%0.772SS**  101.6126.7109.1-90.9-53000123.2
516K27.2Very low26.4Very low162 Ų162138.5 Ų138.570%0.70478%0.776SS**  trans82.1100.8135.1-74.8160.4-170.9162.20121.4
517K25.5Very low26.6Very low201 Ų201135.1 Ų135.187%0.87477%0.772SS**  60.4138.5102.1-77.5-179179.6175.80118.6
518A27.2Very low26.3Very low79 Ų79138.1 Ų138.165%0.65378%0.778SS**  cis-172.1177.84.400000114.2
519K25.5Very low26.4Very low205 Ų205141.3 Ų141.389%0.89179%0.787SS**  trans78.3145.5153.4-73.6-179.1177.3-179.80117.6
520A27.1Very low26.5Very low71 Ų71140.8 Ų140.859%0.58778%0.784SS**  cis-165.1158.3-9.200000113.7
521Q26.2Very low26.9Very low199 Ų199142.1 Ų142.193%0.9378%0.784SS**  trans63.6141152.5-71.3160.2-38.600119.8
522G23.6Very low26.8Very low79 Ų79143.4 Ų143.481%0.81478%0.782SS**  cis159.8152-1400000116.2
523G23.9Very low26.8Very low82 Ų82142.5 Ų142.585%0.84578%0.781SS**  trans90.1164.7165.200000117.2
524R25.5Very low26.6Very low252 Ų252139.5 Ų139.595%0.95177%0.771SS**  cis-169.7142.4-19.7-163-178.7-169.3-133.54.1110.1
525G25.7Very low26.6Very low58 Ų58143 Ų14360%0.59878%0.781SS**  trans82161.3170.100000115.7
526D24.9Very low26.7Very low157 Ų157143.4 Ų143.484%0.8479%0.793SS**  cis-154167.7-9-101.5-30.9000113.7
527L26.7Very low26.6Very low146 Ų146140.5 Ų140.576%0.76479%0.793SS**  trans-51155.8-178.6-62.5127000118.3
528E23.9Very low26.6Very low188 Ų188138.4 Ų138.488%0.87979%0.791SS**  178.8179.2108.2-86-115105.600112.6
529V28.1Very low26.6Very low117 Ų117141.7 Ų141.771%0.70980%0.797SS**  trans-132.4151.9-156.3-177.40000113.4
530P32.5Very low26.9Very low122 Ų122141.2 Ų141.279%0.79280%0.795SS**  trans-131.4166.6137.810.412.4000115.2
531P36.3Very low27.1Very low125 Ų125143.1 Ų143.181%0.81280%0.801SS**  trans-119-167-155.543.9-33.6000118
532K26.5Very low27Very low194 Ų194142.7 Ų142.784%0.84380%0.799SS**  trans-76.2171.5-169.7-50.7169.4-178.4175.80115.7
533I27Very low27.4Very low173 Ų173148.2 Ų148.289%0.88780%0.801SS**  trans137.1136.3154.8-77.8161.4000110.1
534S24.5Very low27.4Very low82 Ų82150.6 Ų150.657%0.57380%0.799SS**  cis-171139.3-6.2152.60000113.1
535K26.2Very low27.4Very low199 Ų199143.9 Ų143.987%0.86579%0.791SS**  trans52.8128.7151.3-62169.2-172176.60122
536S26.7Very low27.4Very low120 Ų120148.7 Ų148.784%0.83980%0.802SS**  -169.6168.1107.958.50000113.7
537S24.4Very low27.5Very low101 Ų101146.2 Ų146.271%0.70680%0.797SS**  trans-46.8149.5-177.843.80000117.1
538L27Very low27.4Very low157 Ų157143.5 Ų143.582%0.82280%0.796SS**  cis83.1119.739.9-73.8175000117.2
539L26.3Very low27.6Very low149 Ų149141.5 Ų141.578%0.7879%0.79SS**  trans83.1152.9147.4-64.6169.4000122.7
540F32.9Very low27.7Very low194 Ų194141.7 Ų141.785%0.85179%0.792SS**  trans-77.9157.7-166.7-57-96.5000115.3
541P31.3Very low27.7Very low111 Ų111140 Ų14072%0.72178%0.783SS**  -143.6170.9109.339.3-26.3000113
542Q23.7Very low27.3Very low190 Ų190145.8 Ų145.889%0.88879%0.788SS**  cis-164-177.9-17.7-108.7176.8-19.300108.9
543K30.6Very low27.4Very low196 Ų196140.6 Ų140.685%0.85278%0.782SS**  trans-93.9145.7168.5-60.5176.3-178.31760111.8
544T24.4Very low27.4Very low131 Ų131140.6 Ų140.680%0.80478%0.775SS**  trans-165.6130.7153.127.50000106.5
545S24.9Very low27.5Very low111 Ų111144.2 Ų144.278%0.77678%0.783SS**  cis97.1147.14479.20000113.4
546L26.9Very low27.4Very low160 Ų160141.5 Ų141.584%0.83878%0.777SS**  trans-73.1165.4-166.3-86158.3000115.7
547S25.7Very low27.5Very low104 Ų104144.1 Ų144.173%0.72778%0.781SS**  trans73.1117145.3610000121.4
548A25.8Very low27.5Very low90 Ų90143.6 Ų143.674%0.74478%0.777SS**  trans77.1167.6135.500000116.6
549L28.1Very low27.4Very low146 Ų146144 Ų14476%0.76478%0.78SS**  cis-156.2135.430.6-120.8-176.9000113.4
550T30.3Very low27.5Very low120 Ų120142.5 Ų142.574%0.73678%0.782SS**  trans64.7167.7146.530.90000121
551S31.6Very low27.2Very low88 Ų88137 Ų13762%0.61577%0.772SS**  cis-160.1150.3-3.932.50000113.9
552R29.1Very low27Very low245 Ų245140 Ų14093%0.92578%0.776SS**  trans60.8155.6138.9-71.1174.6171.2169.7-1.9119
553A28Very low27.1Very low85 Ų85135.3 Ų135.370%0.70276%0.764SS**  cis-168.5-175.7-22.200000106.7
554K27Very low26.8Very low173 Ų173132.7 Ų132.775%0.75276%0.759SS**  cis-166.9163.39.5-150.2170.2175.8-1700108.9
555Q25.9Very low27Very low159 Ų159136.1 Ų136.174%0.74376%0.759SS**  trans67.7154155.3-90.1162.6-70.200117
556I25.9Very low27.8Very low142 Ų142136.1 Ų136.173%0.72876%0.756SS**  cis-128.4151.16.8-64.1178.7000110.5
557L27Very low27.9Very low175 Ų175136 Ų13692%0.91675%0.751SS**  trans-111.7139.9157.3-97.4171000109.4
558S24.9Very low27.9Very low89 Ų89136.3 Ų136.362%0.62275%0.749SS**  trans-156.8117.7165.160.20000114.6
559N25.4Very low27.9Very low167 Ų167138.9 Ų138.989%0.89375%0.75SS**  trans69.3144.5140.3-57.5-3.6000121.8
560S28.8Very low27.8Very low117 Ų117136 Ų13682%0.81874%0.743SS**  trans-97169.9169.353.20000111.3
561A26.1Very low27.5Very low79 Ų79137.1 Ų137.165%0.65374%0.744SS**  164163.711400000115.5
562H27.1Very low27.3Very low174 Ų174142.1 Ų142.181%0.80675%0.754SS**  trans64.199.3149.3-70.8-55000123.9
563S25.4Very low27.9Very low90 Ų90135.4 Ų135.463%0.62974%0.743SS**  73139.9111.274.60000124.7
564N24.1Very low27.9Very low141 Ų141138.3 Ų138.375%0.75475%0.751SS**  trans78.3110.9144.9-63.9-13.1000122.1
565Y28.7Very low28Very low204 Ų204133.5 Ų133.580%0.875%0.751SS**  15.6148.7120.4-72.3-79000120
566P42Very low28.3Very low110 Ų110131 Ų13171%0.71475%0.751SS**  cis-146.8-175.839.242.7-22.5000118.9
567H28.1Very low28.5Very low157 Ų157133.3 Ų133.373%0.72776%0.755SS**  trans-6.3160.6146.1-57.1-70.1000120.3
568T26.8Very low28.7Very low112 Ų112132.9 Ų132.969%0.68775%0.746SS**  cis-165175.524.1-16.30000113
569N24.9Very low29Very low144 Ų144134.6 Ų134.677%0.7774%0.744SS**  trans11.4152.7134.2-66-2000120.6
570S26.2Very low29.2Very low86 Ų86134.8 Ų134.860%0.60174%0.737SS**  cis178.4177.4-4.552.20000110.7
571N24.6Very low29.1Very low142 Ų142139 Ų13976%0.75974%0.735SS**  trans73.9143.1167.8-47.9-37.9000115.5
572K26.5Very low29.3Very low193 Ų193142.4 Ų142.484%0.83974%0.738SS**  cis63.9148.142.3-90.5-168175.6-177.80114.3
573P43.2Very low29.5Very low105 Ų105141.9 Ų141.968%0.68274%0.735SS**  cis-142.2-173.5-17.338.6-18.1000115.5
574V27.2Very low29.7Very low146 Ų146141.6 Ų141.689%0.88573%0.733SS**  trans69.1145.4164.1-173.20000115.8
575G29.5Very low29.9Very low72 Ų72143.5 Ų143.574%0.74274%0.735SS**  cis163.9173.7-3.200000109.4
576S31.8Very low29.8Very low105 Ų105141 Ų14173%0.73473%0.734SS**  cis-169.4-179.8-0.862.10000110.9
577K30.1Very low29.1Very low191 Ų191146.1 Ų146.183%0.8374%0.741SS**  trans89.5135.2176.1-58.1178-178.3174.40115.8
578K30.7Very low29Very low166 Ų166145.8 Ų145.872%0.72274%0.743SS**  cis-160.9144.5-6.1-133.1-165.7176.5-148.20112.6
579E32Very low28.9Very low125 Ų125147.2 Ų147.258%0.58475%0.751SS**  trans58145.5156.1-77.2173.8-125.500119.3
580K28.9Very low29.2Very low172 Ų172151.7 Ų151.775%0.74876%0.757SS**  cis-140.8131.92.7-104148.4-179.4158.70107.5
581R27.8Very low29.2Very low205 Ų205153.6 Ų153.677%0.77477%0.768SS**  89.387.278.3-162.9166-155.7-161.51.4113.1
582E30.6Very low29.2Very low150 Ų150158.2 Ų158.270%0.70178%0.775SS**  86.9140.892.9-77.6169.1178.200114.1
583E30.7Very low30Very low163 Ų163154.6 Ų154.676%0.76277%0.771SS**  cis-166.9149.7-28.3-127.8-153-152.500111.9
584S29Very low29Very low84 Ų84153.8 Ų153.859%0.58777%0.773SS**  44.6162.4129.6103.30000123.5
585K27.9Very low28.8Very low181 Ų181154.5 Ų154.579%0.78776%0.764SS**  cis-174.8168.9-19.6-115.6176.3-169.9165.90112.5
586I26.5Very low28.7Very low153 Ų153158 Ų15879%0.78576%0.762SS**  trans82.4164.4147.5-74.4160.8000119.7
587Y27.5Very low28.4Very low216 Ų216162.2 Ų162.285%0.84776%0.761SS**  trans-120.1175.9-159.9-73-109.7000114.2
588I26.3Very low28.2Very low151 Ų151160 Ų16077%0.77475%0.754SS**  trans112.7131.7143.7-52.1-167.4000119.2
589T25Very low28Very low141 Ų141161.6 Ų161.687%0.86576%0.761SS**  trans88.7145.3158.531.50000124.6
590R30.3Very low27.7Very low238 Ų238159.5 Ų159.590%0.89876%0.76SS**  trans-73.3156.5176.5-82.2179.2171174.2-1.2113
591P26.9Very low27.8Very low127 Ų127159.5 Ų159.583%0.82576%0.763SS**  -146.717986.939.4-21.4000116.9
592R23.9Very low27.8Very low238 Ų238155.8 Ų155.890%0.89876%0.763SS**  trans-91.5-179161.5-58.3175.1164.4173.5-6.5109.2
593P43.2Very low27.6Very low118 Ų118153 Ų15377%0.76677%0.766SS**  cis-133.9-173.5-11.737.4-17.8000115.4
594A23.1Very low27.6Very low87 Ų87152.3 Ų152.372%0.71976%0.763SS**  trans93132.9139.400000123.9
595K23Very low27.7Very low161 Ų161155.7 Ų155.770%0.777%0.766SS**  trans61.4126141.2-84.9178.9159.7-81.70123.2
596E26.5Very low27.8Very low147 Ų147152.8 Ų152.869%0.68776%0.764SS**  trans65.6153.1135.3-73.2149.6-154.300118.3
597R26.6Very low27.9Very low192 Ų192154 Ų15473%0.72576%0.764SS**  cis-159.8151.816.5-145.9172.3153152.62.6114.7
598E26.8Very low28.1Very low146 Ų146148.8 Ų148.868%0.68275%0.751SS**  trans19.3141150.2-66.4161-17900124.4
599K25.1Very low28.2Very low198 Ų198150.3 Ų150.386%0.86175%0.752SS**  -144.9113.2126.3-94.1-167.2176.7-178.10107.7
600S27.3Very low28.4Very low82 Ų82148.1 Ų148.157%0.57375%0.748SS**  67126.383.772.10000113.8
601E30.4Very low28.5Very low172 Ų172141.1 Ų141.180%0.80474%0.741SS**  cis-165.1173.1-3-117.5159.398.300107.4
602T26.7Very low28.5Very low126 Ų126143.2 Ų143.277%0.77374%0.742SS**  cis-122.2-121.914.6-32.70000112
603A27.5Very low28.8Very low92 Ų92137.2 Ų137.276%0.7673%0.732SS**  cis-155.2-1703.900000112.3
604E30.1Very low28.2Very low149 Ų149140.5 Ų140.570%0.69673%0.734SS**  trans-98.9161-174.8-60.6-161.4137.100112.4
605K31.4Very low28.5Very low154 Ų154143 Ų14367%0.6773%0.731SS**  cis-169.5153.51.4-114.1161.5-167.8151.90105.2
606T30.8Very low28.8Very low120 Ų120141.8 Ų141.874%0.73673%0.731SS**  cis-159.5-158.8-9.86.10000106.2
607F27Very low28.8Very low178 Ų178141.6 Ų141.678%0.78173%0.731SS**  cis-161.1-165.115.8-152.3-156.1000113.8
608N31.6Very low28.9Very low107 Ų107140.8 Ų140.857%0.57273%0.732SS**  trans-42.1160.8175.8-73.2-20.7000121.3
609K29.3Very low29Very low183 Ų183141.7 Ų141.780%0.79674%0.74SS**  cis-177.7156.4-23.6-152.8170.6-175.5174.40111.7
610A29Very low29.1Very low96 Ų96140.9 Ų140.979%0.79374%0.737SS**  trans70.7158.4156.100000119.7
611A31.6Very low29Very low91 Ų91148.1 Ų148.175%0.75275%0.751SS**  cis-168.6156-29.400000113.6
612M28.7Very low28.9Very low171 Ų171148.1 Ų148.184%0.84275%0.749SS**  trans60.6104.4149.4-88.9-170.3156.500124.8
613T29.5Very low28.8Very low112 Ų112145.6 Ų145.669%0.68775%0.748SS**  49.3148.3117.760.60000125.2
614K31.4Very low28.8Very low186 Ų186148.1 Ų148.181%0.80974%0.744SS**  trans82154.6159-72.2-169.6174.2-176.30118.1
615Q29.4Very low28.6Very low141 Ų141145.2 Ų145.266%0.65974%0.74SS**  cis-173154.9-26.5-168.3177.9-15.600110
616L27.8Very low28.5Very low134 Ų134148 Ų14870%0.70275%0.747SS**  trans84.8129.7149.7-131.270.6000123.3
617E27.9Very low28.4Very low143 Ų143148 Ų14867%0.66874%0.742SS**  trans45.9109143-73.7-174.5128.300126.7
618K27.5Very low28.6Very low176 Ų176146.3 Ų146.377%0.76574%0.741SS**  53.8109.791-174.4-168.8-174.9-177.90120.2
619I28.7Very low28.4Very low165 Ų165151.8 Ų151.885%0.84675%0.753SS**  trans-180149.9145.3-100151000107
620K27.1Very low28.5Very low181 Ų181148.9 Ų148.979%0.78775%0.751SS**  cis150.9143.6-18.2177.3177.4179.9179.40105.6
621R26.1Very low28.5Very low233 Ų233148.4 Ų148.488%0.87975%0.747SS**  trans86.3124.7-170.8-56.9173.4170.9167.3-3.1111.9
622K27Very low28.3Very low172 Ų172150 Ų15075%0.74875%0.747SS**  cis77.7109.629.2-157.6-178.5-159.8-95.90113.6E624K622-E624 IonicContact NZ-OE1 3.37Å; K622-E624 PolarHBondContact NZ-OE1 3.06Å; K622-E624 IonicContact NZ-OE2 2.63Å; K622-E624 PolarHBondContact NZ-OE2 3.14Å
623G25.9Very low28.3Very low74 Ų74147.8 Ų147.876%0.76374%0.743SS**  trans-150.1145.1165.900000108.2
624E27Very low28.4Very low144 Ų144146.5 Ų146.567%0.67374%0.744SS**  trans-132.9168.1-169.7-76.6159104.200111.2K622K622-E624 IonicContact NZ-OE1 3.37Å; K622-E624 PolarHBondContact NZ-OE1 3.06Å; K622-E624 IonicContact NZ-OE2 2.63Å; K622-E624 PolarHBondContact NZ-OE2 3.14Å
625S26.2Very low28.2Very low88 Ų88144.4 Ų144.462%0.61574%0.742SS**  trans83122.3151-72.90000121.1
626R28.5Very low28.4Very low213 Ų213144.7 Ų144.780%0.80475%0.747SS**  74.2154.1123.7-65.2179.9-178.8168.10.7118.7
627D29.9Very low29.2Very low120 Ų120144.3 Ų144.364%0.64275%0.753SS**  cis-159.3142.2-12.4-110.2-20.9000112.6
628L29.9Very low29.3Very low143 Ų143142.2 Ų142.275%0.74975%0.753SS**  trans49.3144.8130.7-109.9128.6000124.7
629R28.8Very low29.3Very low222 Ų222143.6 Ų143.684%0.83876%0.76SS**  trans85.6154.1160.1-60.1-173.3170.6178.5-4.1119.9
630T30.4Very low29.5Very low121 Ų121146 Ų14674%0.74276%0.758SS**  cis-173.2163.2-29-74.30000108.2
631A29.1Very low29.5Very low87 Ų87144.5 Ų144.572%0.71976%0.759SS**  trans85.3157.4157.300000118.3
632V28.4Very low29.5Very low123 Ų123141.8 Ų141.875%0.74576%0.759SS**  cis-166143.7-14.9113.60000113
633T27.7Very low29.5Very low126 Ų126141 Ų14177%0.77376%0.759SS**  trans48.2144.815763.80000126.7
634A31.2Very low29.7Very low84 Ų84143.2 Ų143.269%0.69475%0.752SS**  trans100109133.800000123.7
635D28Very low30.1Very low143 Ų143142.6 Ų142.677%0.76576%0.76SS**  64.6117121.6-61-7.5000126.9
636L33.5Very low30.2Very low146 Ų146145.5 Ų145.576%0.76477%0.768SS**  trans67.2162134.5-80.5146.8000119.1
637P44.4Very low30.1Very low127 Ų127140.2 Ų140.283%0.82576%0.764SS**  cis-127.7-166.926.643.6-26.9000116.5
638S29.4Very low29.9Very low98 Ų98144 Ų14469%0.68577%0.771SS**  trans-128.4169.3-173.569.30000114.4
639K28.5Very low29.7Very low206 Ų206144.7 Ų144.790%0.89677%0.769SS**  trans-156.2166.5148.9-118.8176.2-178-176.90112.1
640R31.6Very low29.5Very low216 Ų216143 Ų14382%0.81577%0.771SS**  trans-136.2165.2-167.8-65.7177.1175.8171.1-2.9111.9
641D28.6Very low29Very low149 Ų149145.8 Ų145.880%0.79778%0.775SS**  170.5153.1116.1-74.6-21.9000107.7
642I26.4Very low29.3Very low175 Ų175147 Ų14790%0.89778%0.776SS**  -149.3169.451.7-77.6169.9000110.6
643Q25.9Very low30.2Very low157 Ų157146.3 Ų146.373%0.73477%0.774SS**  trans-145.9118.4-161-175.5179.3-3.100116.8
644I30Very low30.2Very low120 Ų120146.4 Ų146.462%0.61578%0.777SS**  trans57167.3153.3-34.3161.7000117.8L646I644-L646 HydrophobicContact CG2-CB 4.33Å; I644-L646 HydrophobicContact CG2-CD1 4.33Å
645P36.7Very low30.1Very low131 Ų131148.8 Ų148.885%0.85178%0.783SS**  -140.4179.390.439.7-23.5000115.5
646L27.6Very low30.5Very low148 Ų148147.4 Ų147.478%0.77578%0.782SS**  trans-141.3152.8-159.8-144.9138.6000112.7I644I644-L646 HydrophobicContact CG2-CB 4.33Å; I644-L646 HydrophobicContact CG2-CD1 4.33Å
647S25.1Very low30Very low102 Ų102144.8 Ų144.871%0.71378%0.781SS**  trans-157.5125.7163.865.30000113.3
648Y25.6Very low29.1Very low201 Ų201143.7 Ų143.779%0.78878%0.777SS**  59.4139.289.9-71.1-82.4000115.7
649H26.9Very low28.8Very low156 Ų156147.8 Ų147.872%0.72279%0.785SS**  cis-176.2169.9-23.8-133-88.7000111.1
650Q24.8Very low28.6Very low187 Ų187144.6 Ų144.687%0.87478%0.783SS**  trans86178.2158.9-70.7179.4-68.900122.1
651E20.4Very low28.2Very low179 Ų179145.6 Ų145.684%0.83679%0.787SS**  trans-140.2-177.8-136.9-111.6-179-176.600112.1
652P34.6Very low28Very low114 Ų114146.7 Ų146.774%0.7479%0.792SS**  cis-131.2-121.6-17.535.2-9.6000113.9
653P47.8Very low27.8Very low108 Ų108143.1 Ų143.170%0.70178%0.782SS**  trans-118.2-174.5-145.740.4-18.4000116.4
654P28.2Very low27.7Very low127 Ų127146.6 Ų146.683%0.82579%0.79SS**  -150.5160.8104.640.3-24.3000117.8
655T28.4Very low27.4Very low134 Ų134146.3 Ų146.382%0.82279%0.794SS**  trans-88.4172.2161.113.10000110.9
656P36Very low26.7Very low115 Ų115148.8 Ų148.875%0.74779%0.794SS**  cis-152.8-178.741.244.7-23.6000119.6
657A23.8Very low26.5Very low90 Ų90148.2 Ų148.274%0.74479%0.792SS**  trans64.5150.7146.500000120.1
658S24.6Very low26.5Very low105 Ų105148.5 Ų148.573%0.73479%0.79SS**  cis-167.6156.4-13.544.60000110
659E23.8Very low26.4Very low183 Ų183144.9 Ų144.986%0.85579%0.788SS**  trans33.4132.7150.5-60.1-174.1160.800120.3
660T24Very low26.3Very low139 Ų139145.2 Ų145.285%0.85379%0.79SS**  -142.4150.967.2-11.90000115.9
661R22.6Very low26.2Very low237 Ų237141 Ų14189%0.89478%0.781SS**  trans-75140.9157.3-88.9174.4159.3176.6-6.6110.7
662L24Very low26.4Very low172 Ų172140.7 Ų140.790%0.90178%0.78SS**  trans-133.8136142.2-93.9172.5000108.6
663S22.8Very low25.9Very low101 Ų101143.2 Ų143.271%0.70679%0.786SS**  trans-98.7131.4-172.952.40000111.9
664Y23.5Very low24.8Very low230 Ų230148.6 Ų148.690%0.90279%0.792SS**  trans-114.2139153.8-82.9-85.7000109.2
665T23.2Very low24.6Very low113 Ų113149 Ų14969%0.69379%0.792SS**  trans-84.8121.6-16945.70000111.6N667T665-N667 PolarHBondContact O-N 2.78Å; T665-N667 VanDerWaalsContact O-N 3.09Å
666E23.8Very low24.5Very low183 Ų183147.7 Ų147.786%0.85578%0.784SS**  trans-66.6104.3159.7-69.2-175.9128.300108.7T668E666-T668 VanDerWaalsContact C-N 3.29Å; E666-T668 PolarHBondContact O-N 2.73Å
667N23.3Very low23.8Very low137 Ų137147.2 Ų147.273%0.73378%0.784SS**  trans-75.185.7171.4-84.4-10.4000109.3T665 V669T665-N667 PolarHBondContact O-N 2.78Å; T665-N667 VanDerWaalsContact O-N 3.09Å; N667-V669 VanDerWaalsContact C-N 3.28Å; N667-V669 PolarHBondContact O-N 2.94Å
668T24.6Very low23.9Very low107 Ų107153 Ų15366%0.65679%0.788SS**  trans-66.184172.8-52.90000110.5E666 H670E666-T668 VanDerWaalsContact C-N 3.29Å; E666-T668 PolarHBondContact O-N 2.73Å; T668-H670 PolarHBondContact O-N 3.49Å
669V23.7Very low23.8Very low125 Ų125156.5 Ų156.576%0.75880%0.797SS**  trans-73.594.5171-178.80000108.4N667 S671N667-V669 VanDerWaalsContact C-N 3.28Å; N667-V669 PolarHBondContact O-N 2.94Å; V669-S671 VanDerWaalsContact C-N 3.33Å; V669-S671 PolarHBondContact O-N 2.86Å
670H23.7Very low23.9Very low163 Ų163159.5 Ų159.576%0.75580%0.801SS**  trans-65.291.4166.5-92.3-52.8000110.1T668 Q672T668-H670 PolarHBondContact O-N 3.49Å; H670-Q672 VanDerWaalsContact C-N 3.34Å; H670-Q672 PolarHBondContact O-N 2.96Å
671S24.2Very low23.9Very low100 Ų100158.8 Ų158.870%0.69980%0.797SS**  trans-66.994.2161.957.10000108.9V669 L673V669-S671 VanDerWaalsContact C-N 3.33Å; V669-S671 PolarHBondContact O-N 2.86Å; S671-L673 PolarHBondContact O-N 2.82Å
672Q23.3Very low24.1Very low172 Ų172152 Ų15280%0.80479%0.785SS**  trans-65.896.4175.7-70.9-176.6-14.700110H670 R674H670-Q672 VanDerWaalsContact C-N 3.34Å; H670-Q672 PolarHBondContact O-N 2.96Å; Q672-R674 PolarHBondContact O-N 2.83Å
673L25.1Very low24.2Very low166 Ų166152.8 Ų152.887%0.86978%0.784SS**  trans-60100.4166.8-86159.7000108.9S671 V675S671-L673 PolarHBondContact O-N 2.82Å; L673-V675 PolarHBondContact O-N 3.49Å
674R24.3Very low24.5Very low221 Ų221155.4 Ų155.483%0.83479%0.789SS**  trans-67112.8176.6-77.8-174.9172.6-178.9-1.5109.5Q672 T676Q672-R674 PolarHBondContact O-N 2.83Å; R674-T676 PolarHBondContact O-N 3.48Å; R674-T676 VanDerWaalsContact O-N 3.1Å
675V24.1Very low24.7Very low135 Ų135151.4 Ų151.482%0.81879%0.788SS**  trans-68.6103.5171.2179.60000109.1L673 S677L673-V675 PolarHBondContact O-N 3.49Å; V675-S677 PolarHBondContact O-N 3Å
676T25.3Very low24.7Very low108 Ų108154.8 Ų154.866%0.66380%0.796SS**  trans-86.883.8171.648.40000110.4R674 Y678R674-T676 PolarHBondContact O-N 3.48Å; R674-T676 VanDerWaalsContact O-N 3.1Å; T676-Y678 HydrophobicContact CG2-CE2 4.34Å; T676-Y678 PolarHBondContact O-N 3.43Å
677S23.1Very low24.8Very low105 Ų105150.7 Ų150.773%0.73479%0.788SS**  trans-75.8104.9173.456.20000111V675V675-S677 PolarHBondContact O-N 3Å
678Y24.4Very low24.9Very low211 Ų211152 Ų15283%0.82779%0.79SS**  trans-11388.9174.3-78.8-77.1000112T676T676-Y678 HydrophobicContact CG2-CE2 4.34Å; T676-Y678 PolarHBondContact O-N 3.43Å
679L23.9Very low25Very low179 Ų179153.3 Ų153.394%0.93779%0.788SS**  trans-137.4103.3158.7-93172.9000107.7
680R25.3Very low25.1Very low246 Ų246154.9 Ų154.993%0.92879%0.787SS**  trans-150.6132.8161.7-156.6171.1-169.4171.83.1110.8
681T24.3Very low25.1Very low124 Ų124155.3 Ų155.376%0.76179%0.794SS**  trans-85.2143.9179.944.70000111.8
682S26.7Very low25.1Very low94 Ų94155.9 Ų155.966%0.65779%0.789SS**  trans24.7131.7145.559.70000120.7
683E25.3Very low25.8Very low188 Ų188153.5 Ų153.588%0.87979%0.789SS**  -171.4174.8104.6-102.1165.1-169.200112.6
684I30.3Very low26.1Very low157 Ų157151.8 Ų151.881%0.80578%0.78SS**  trans-127.4130.6-170.1-60.9165.2000109.6
685T26.2Very low26.3Very low145 Ų145146.3 Ų146.389%0.8978%0.776SS**  trans-168.9170.3147.81.80000112.9
686E23.1Very low26.4Very low185 Ų185147.8 Ų147.886%0.86477%0.774SS**  trans-95.4-179.8-165.4-72.4173.69100116.2
687S26.2Very low26.7Very low97 Ų97148.6 Ų148.668%0.67877%0.773SS**  trans-57.4160.4-178.559.70000117.5
688Q26.6Very low27.1Very low165 Ų165148.9 Ų148.977%0.77177%0.771SS**  -175.1160.2108.5-104.1-175.913.400117.1
689H26.7Very low27.6Very low134 Ų134145 Ų14562%0.6276%0.764SS**  trans63.7102.1156.3-84.8-86.3000124.6
690Q25Very low28.2Very low158 Ų158142.8 Ų142.874%0.73875%0.752SS**  53.4130.6120.1-70.6179.7-18.200123.3
691L24.2Very low28.7Very low172 Ų172136.9 Ų136.990%0.90174%0.739SS**  -165.9148.5101.2-101.8166.8000112.3
692N23.8Very low29.4Very low111 Ų111138.6 Ų138.659%0.59474%0.738SS**  trans-108.4165.6180-137.744.2000110.4D694N692-D694 PolarHBondContact ND2-OD1 3.32Å; N692-D694 PolarHBondContact ND2-OD2 3.24Å
693P38.6Very low29.9Very low123 Ų123139.2 Ų139.280%0.79973%0.734SS**  -151.8172.385.640-20.9000117.2
694D30.2Very low30.4Very low129 Ų129135.8 Ų135.869%0.6973%0.727SS**  trans-95.2177.3-167.9-45-93.8000115.6N692N692-D694 PolarHBondContact ND2-OD1 3.32Å; N692-D694 PolarHBondContact ND2-OD2 3.24Å
695S29.8Very low30.6Very low106 Ų106133 Ų13374%0.74171%0.713SS**  168155.4108.654.60000117.1
696H26.5Very low30.9Very low167 Ų167136.4 Ų136.477%0.77371%0.71SS**  trans68.6146.4163.5-82.2-92.6000121.4
697L30.9Very low31.2Very low125 Ų125132.5 Ų132.565%0.65470%0.703SS**  cis178.7136.3-44.4-108.5167.5000111.7
698T31.8Very low31.4Very low111 Ų111135.2 Ų135.268%0.68171%0.71SS**  trans53.2162.8146.245.90000122.7
699D33.8Very low32.6Very low128 Ų128133.7 Ų133.768%0.68471%0.714SS**  cis-166.2-179.32.8-126.7-33.7000116.7
700I36.3Very low33Very low134 Ų134134.2 Ų134.269%0.68772%0.722SS**  trans76.3142.9144.1-81.3163.1000120.2
701D36.4Very low34.1Very low122 Ų122132.4 Ų132.465%0.65272%0.724SS**  cis-169.9-174.6-1.6-109.6-8000109
702Q39.4Very low34.5Very low159 Ų159130.3 Ų130.374%0.74371%0.713SS**  cis-171.2170.9-16.9-110.8-177.175.500106.4
703D36.7Very low35.7Very low107 Ų107130.7 Ų130.757%0.57272%0.722SS**  cis-139-116.2-11.817714.7000107.6N705D703-N705 PolarHBondContact OD2-ND2 3.3Å
704T35.3Very low35.2Very low117 Ų117131.2 Ų131.272%0.71872%0.718SS**  cis-154.8109.7-5.2-11.80000113.5
705N34.6Very low36.3Very low97 Ų97130.3 Ų130.352%0.51972%0.719SS.*  trans31.7148.5141.7-55.5-60.2000123.2D703D703-N705 PolarHBondContact OD2-ND2 3.3Å
706R32.7Very low36.1Very low217 Ų217134.1 Ų134.182%0.81973%0.725SS**  cis-175.7179.20-109.7173.5-139.1-166.88.8109
707S30Very low36.1Very low104 Ų104134.9 Ų134.973%0.72773%0.729SS**  cis-167.9-161.6-3.947.60000112
708N30.6Very low35.9Very low154 Ų154137.1 Ų137.182%0.82474%0.736SS**  trans-106.2-162.4-163.4-49.7-5.4000113.6
709P52.5Low35.7Very low132 Ų132139.4 Ų139.486%0.85774%0.743SS**  cis-144.5-158.37.345.9-22.5000119
710D33.6Very low35.5Very low146 Ų146141.4 Ų141.478%0.78175%0.748SS**  trans-104.8177.3-165.5-157.319.2000114.9
711P49.3Very low35.5Very low120 Ų120140 Ų14078%0.77975%0.748SS**  -160.8-174.677.243.9-20.3000121
712N32Very low35Very low128 Ų128142.2 Ų142.268%0.68475%0.754SS**  trans-79-175.1-174.9-136.825.1000117D714N712-D714 PolarHBondContact ND2-OD2 2.96Å
713P48.4Very low34.3Very low118 Ų118143.6 Ų143.677%0.76676%0.761SS**  -153.5-169.751.444.8-20.6000120.9
714D28.9Very low33.8Very low134 Ų134142.3 Ų142.372%0.71777%0.772SS**  trans-79.2-165-170.3-55.6-83.5000117.6N712N712-D714 PolarHBondContact ND2-OD2 2.96Å
715P52.9Low33.3Very low110 Ų110145.7 Ų145.771%0.71478%0.78SS**  cis-151.7-164.714.148.5-25.8000121.4
716E26.4Very low32.9Very low187 Ų187148.5 Ų148.587%0.87479%0.792SS**  trans102.6166152.8-83167.8-143.400122.9
717Q26.4Very low32.7Very low182 Ų182143.1 Ų143.185%0.8579%0.788SS**  -153177.7-127-165.1173.3600116.1
718E25.8Very low32.5Very low173 Ų173144.5 Ų144.581%0.80879%0.787SS**  trans109.2-177.2159.3-56.1-155.3138.100120.3
719L27.1Very low33.1Very low159 Ų159146 Ų14683%0.83278%0.782SS**  trans-124.2171.7-132.3-76.8141.5000118.2
720E29.7Very low32.9Very low169 Ų169144.6 Ų144.679%0.7978%0.776SS**  trans-34.5164.8162.1-66.6-81.1151.200116.8
721P37.4Very low33.1Very low104 Ų104148.7 Ų148.768%0.67578%0.782SS**  cis-150.5-178.329.344.3-23.3000120.2
722E24.9Very low32.4Very low169 Ų169149.8 Ų149.879%0.7978%0.777SS**  trans78.1144.5138.8-97.1176.3-173.200126.2
723E25.1Very low32.4Very low189 Ų189152.5 Ų152.588%0.88379%0.785SS**  trans52.1130.3160.3-60.4-160.6151.100123.4
724G25.5Very low31.9Very low79 Ų79153.2 Ų153.281%0.81479%0.787SS**  trans169.2111.1166.300000115.1
725E26.1Very low32.3Very low189 Ų189155.6 Ų155.688%0.88379%0.794SS**  trans-61.7165.8173.7-45.6170.2119.900111.9
726M26.4Very low31.5Very low156 Ų156156.8 Ų156.877%0.76880%0.799SS**  cis-160.6152.420.3-174.155.6178.900109.9
727S27.9Very low31.9Very low104 Ų104158.1 Ų158.173%0.72780%0.796SS**  trans-95.8140.116256.20000110.4
728D26.1Very low32.7Very low132 Ų132155 Ų15571%0.70679%0.791SS**  trans-147.5135.7168.6-152.811.6000113.3S730D728-S730 PolarHBondContact O-N 2.82Å
729Y43.7Very low33.3Very low186 Ų186150.2 Ų150.273%0.72979%0.789SS**  trans-26.583.3-176.9-75.8-99000116.3E732Y729-E732 HydrophobicContact CD1-CG 4.34Å; Y729-E732 WeakPolarHBondContact CE1-OE1 3.07Å
730S48Very low33.7Very low103 Ų103154 Ų15472%0.7279%0.792SS**SBendtrans-140.599.7175.7166.20000109.7D728D728-S730 PolarHBondContact O-N 2.82Å
731Y37Very low34.4Very low232 Ų232150 Ų15091%0.9179%0.788SS**SBendtrans62.375.1178.2-136.6-73.6000113.6
732E35.3Very low34.7Very low142 Ų142154.2 Ų154.266%0.66480%0.799SS**PPolyproline II helixtrans-62.2141.1-179.7-70.6-166.7124.600113.6Y729Y729-E732 HydrophobicContact CD1-CG 4.34Å; Y729-E732 WeakPolarHBondContact CE1-OE1 3.07Å
733E31.1Very low36Very low185 Ų185152.5 Ų152.586%0.86479%0.791SS**PPolyproline II helixtrans-59.9138-166.3-61.6165.811600114.1
734V39.2Very low37.4Very low133 Ų133148.8 Ų148.881%0.80679%0.786SS**PPolyproline II helixtrans-85.6127.9149.4174.90000106.4V736V734-V736 PolarHBondContact O-N 3.35Å
735E35.9Very low38.7Very low185 Ų185151.1 Ų151.186%0.86478%0.778SS**  trans-47.9110.8-177.2-65.2177.8130.200112R737E735-R737 PolarHBondContact O-N 3.45Å
736V36.7Very low40.6Very low135 Ų135145.2 Ų145.282%0.81875%0.753SS**  trans-69.6104.2171.1177.90000107.2V734V734-V736 PolarHBondContact O-N 3.35Å
737R35.5Very low42.7Very low214 Ų214148.9 Ų148.981%0.80876%0.759SS**PPolyproline II helixtrans-49.7137.2166.7-73.7-177.1173.7-178.5-1.5108.4E735 G739E735-R737 PolarHBondContact O-N 3.45Å; R737-G739 PolarHBondContact O-N 3.16Å
738P42.2Very low44.5Very low116 Ų116152.2 Ų152.275%0.75376%0.763SS**PPolyproline II helixtrans-47.9131.4178.6-28.835000110.5W740P738-W740 PolarHBondContact O-N 2.7Å
739G38.1Very low46.7Very low74 Ų74151.4 Ų151.476%0.76375%0.75SS**PPolyproline II helixtrans-54.1116.8-17700000109.6R737 A741R737-G739 PolarHBondContact O-N 3.16Å; G739-A741 PolarHBondContact O-N 3.01Å; G739-A741 VanDerWaalsContact O-N 3.12Å
740W36.1Very low48Very low237 Ų237146.8 Ų146.890%0.89874%0.741SS**PPolyproline II helixtrans-59.3117.8156.8-71.644.2000104.2P738 E742P738-W740 PolarHBondContact O-N 2.7Å; W740-E742 PolarHBondContact O-N 2.79Å
741A44.2Very low49.3Very low86 Ų86146.8 Ų146.871%0.71173%0.728SS**PPolyproline II helixtrans-53.8129.5166.400000106.3G739 E743G739-A741 PolarHBondContact O-N 3.01Å; G739-A741 VanDerWaalsContact O-N 3.12Å; A741-E743 PolarHBondContact O-N 3.28Å
742E44.7Very low50.7Low192 Ų192138.8 Ų138.890%0.89771%0.706SS**  trans-64.495.7172.5-69.6-171137.900106.6W740 S744W740-E742 PolarHBondContact O-N 2.79Å; E742-S744 PolarHBondContact O-N 2.77Å
743E51.3Low51.9Low133 Ų133136.1 Ų136.162%0.62170%0.699SS**  trans-50.3112.9178.8-75.5-174.7171.300107.4A741 I745 R749A741-E743 PolarHBondContact O-N 3.28Å; E743-I745 PolarHBondContact O-N 3.36Å; E743-R749 IonicContact OE2-CZ 1.96Å; E743-R749 IonicContact OE2-NH1 2.66Å; E743-R749 PolarHBondContact OE2-NH1 3.23Å; E743-R749 IonicContact OE2-NH2 2.65Å
744S53.5Low53.1Low112 Ų112133 Ų13378%0.78369%0.689SS**  trans-56.2114.5-172.551.70000108.8E742 N746E742-S744 PolarHBondContact O-N 2.77Å; S744-N746 PolarHBondContact O-N 2.89Å
745I54.1Low54Low127 Ų127133 Ų13365%0.65169%0.692SS**  trans-45.8102.6-160.6-58.7175.8000111E743 W747E743-I745 PolarHBondContact O-N 3.36Å; I745-W747 HydrophobicContact CG2-CD2 4.07Å; I745-W747 HydrophobicContact CG2-CG 4.43Å; I745-W747 HydrophobicContact CG2-CH2 4.49Å; I745-W747 HydrophobicContact CG2-CZ2 3.92Å; I745-W747 PolarHBondContact O-N 3.14Å
746N65.8Low54.9Low66 Ų66127.9 Ų127.935%0.35367%0.668SS.*  trans-7991.5-178.1-177.1-8.7000108.9S744 Q748 R749S744-N746 PolarHBondContact O-N 2.89Å; N746-Q748 PolarHBondContact O-N 2.98Å; N746-Q748 VanDerWaalsContact O-N 3.12Å; N746-Q748 WeakPolarHBondContact OD1-CA 3.34Å; N746-Q748 WeakPolarHBondContact OD1-CB 3Å; N746-Q748 PolarHBondContact OD1-N 3.48Å; N746-R749 HydrophobicContact CB-CB 4.01Å; N746-R749 VanDerWaalsContact O-CB 3.3Å; N746-R749 WeakPolarHBondContact O-CB 3.48Å; N746-R749 PolarHBondContact O-N 3.47Å; N746-R749 PolarHBondContact OD1-N 3.05Å
747W69.8Low56.1Low233 Ų233125 Ų12588%0.88365%0.649SS**THydrogen-bonded Turntrans-64.8-7177.8-63.498000114.4I745I745-W747 HydrophobicContact CG2-CD2 4.07Å; I745-W747 HydrophobicContact CG2-CG 4.43Å; I745-W747 HydrophobicContact CG2-CH2 4.49Å; I745-W747 HydrophobicContact CG2-CZ2 3.92Å; I745-W747 PolarHBondContact O-N 3.14Å
748Q66.6Low57.4Low174 Ų174117.9 Ų117.981%0.81362%0.624SS**THydrogen-bonded Turntrans-98.2-7.6174.2-58.9178.7-75.300112.7N746 T750N746-Q748 PolarHBondContact O-N 2.98Å; N746-Q748 VanDerWaalsContact O-N 3.12Å; N746-Q748 WeakPolarHBondContact OD1-CA 3.34Å; N746-Q748 WeakPolarHBondContact OD1-CB 3Å; N746-Q748 PolarHBondContact OD1-N 3.48Å; Q748-T750 PolarHBondContact O-N 3.04Å
749R72.3Confident58.4Low114 Ų114113.1 Ų113.143%0.4359%0.591SS.*  trans-7394-176.3-162.1-175.9-160.8166.410.8111.4M420 E743 N746M420-R749 HydrophobicContact CE-CG 3.79Å; E743-R749 IonicContact OE2-CZ 1.96Å; E743-R749 IonicContact OE2-NH1 2.66Å; E743-R749 PolarHBondContact OE2-NH1 3.23Å; E743-R749 IonicContact OE2-NH2 2.65Å; N746-R749 HydrophobicContact CB-CB 4.01Å; N746-R749 VanDerWaalsContact O-CB 3.3Å; N746-R749 WeakPolarHBondContact O-CB 3.48Å; N746-R749 PolarHBondContact O-N 3.47Å; N746-R749 PolarHBondContact OD1-N 3.05Å
750T70.9Confident59.5Low90 Ų90113.6 Ų113.655%0.55258%0.576SS**  trans-78170.1175.551.60000112.3M420 D421 Q748M420-T750 WeakPolarHBondContact CE-O 3.44Å; D421-T750 PolarHBondContact N-O 3.17Å; D421-T750 WeakPolarHBondContact OD2-CB 3.4Å; D421-T750 PolarHBondContact OD2-OG1 3.38Å; Q748-T750 PolarHBondContact O-N 3.04Å
751F74.6Confident60.8Low102 Ų102107 Ų10745%0.44756%0.558SS.*EExtended strand (participates in β ladder)trans-144.8132.2174.359.6-87.8000110.7M418 K419 M420 D421 V753M418-F751 HydrophobicContact CB-CB 4.45Å; M418-F751 HydrophobicContact CB-CD2 4.05Å; M418-F751 HydrophobicContact CE-CB 4.44Å; M418-F751 HydrophobicContact CE-CD1 3.93Å; M418-F751 HydrophobicContact CE-CD2 3.62Å; M418-F751 HydrophobicContact CE-CE1 4.05Å; M418-F751 HydrophobicContact CE-CE2 3.75Å; M418-F751 HydrophobicContact CE-CG 3.73Å; M418-F751 HydrophobicContact CE-CZ 3.97Å; M418-F751 HydrophobicContact CG-CD2 3.81Å; M418-F751 HydrophobicContact CG-CE2 4.13Å; K419-F751 CarbonylContact O-C 3.6Å; K419-F751 VanDerWaalsContact O-CA 3.27Å; K419-F751 WeakPolarHBondContact O-CA 3.21Å; K419-F751 WeakPolarHBondContact O-CB 3.31Å; M420-F751 HydrophobicContact CE-CB 4.01Å; M420-F751 HydrophobicContact SD-CB 3.84Å; D421-F751 WeakPolarHBondContact OD2-CA 3.34Å; D421-F751 PolarHBondContact OD2-N 3.47Å; F751-V753 HydrophobicContact CD2-CG2 3.49Å; F751-V753 VanDerWaalsContact CD2-CG2 3.49Å; F751-V753 HydrophobicContact CE2-CG2 3.46Å; F751-V753 VanDerWaalsContact CE2-CG2 3.46Å
752S66.9Low61.7Low65 Ų65104.3 Ų104.346%0.45553%0.529SS..EExtended strand (participates in β ladder)trans-81.5122.8171.4-66.60000110.7K419 D421K419-S752 PolarHBondContact N-O 2.74Å; K419-S752 PolarHBondContact O-N 3.39Å; D421-S752 WeakPolarHBondContact OD1-CB 3.46Å; D421-S752 PolarHBondContact OD1-N 3.03Å; D421-S752 PolarHBondContact OD1-OG 3.12Å
753V60.9Low62.5Low85 Ų8597.7 Ų97.752%0.51550%0.504SS..EExtended strand (participates in β ladder)trans-103.4121.1173.3-175.60000109.7M418 F751M418-V753 HydrophobicContact CG-CG2 4.14Å; F751-V753 HydrophobicContact CD2-CG2 3.49Å; F751-V753 VanDerWaalsContact CD2-CG2 3.49Å; F751-V753 HydrophobicContact CE2-CG2 3.46Å; F751-V753 VanDerWaalsContact CE2-CG2 3.46Å
754N55.7Low63Low120 Ų12095 Ų9564%0.64249%0.494SS*.PPolyproline II helixtrans-67.8131.9168.3-77.3-33.1000109.2M756N754-M756 VanDerWaalsContact C-N 3.3Å; N754-M756 PolarHBondContact O-N 3.03Å
755P57.9Low63.4Low134 Ų13495.8 Ų95.887%0.8748%0.48SS*.  trans-6789.6178.327.6-34.3000110
756M55.6Low63.8Low76 Ų7691.5 Ų91.537%0.37446%0.458SS..  trans-97.9113.3-177-175.6145.8-70.800110Y417 N754 F758 L761Y417-M756 HydrophobicContact CD1-CE 4.27Å; Y417-M756 HydrophobicContact CD1-SD 3.32Å; Y417-M756 WeakPolarHBondContact CD1-SD 3.27Å; Y417-M756 HydrophobicContact CE1-CE 4.4Å; Y417-M756 HydrophobicContact CE1-SD 3.25Å; Y417-M756 WeakPolarHBondContact CE1-SD 3.31Å; Y417-M756 HydrophobicContact CG-SD 4.33Å; N754-M756 VanDerWaalsContact C-N 3.3Å; N754-M756 PolarHBondContact O-N 3.03Å; M756-F758 VanDerWaalsContact O-CD2 3.3Å; M756-F758 WeakPolarHBondContact O-CD2 3.36Å; M756-F758 PolarHBondContact O-N 3.35Å; M756-L761 HydrophobicContact CG-CD1 3.8Å; M756-L761 HydrophobicContact SD-CD1 3.56Å; M756-L761 VanDerWaalsContact SD-CD1 3.56Å
757D62.5Low63.9Low75 Ų7588.5 Ų88.540%0.40144%0.443SS..  trans-71.495.8168.5-173.74.5000109.9E759 L760D757-E759 PolarHBondContact O-N 3.02Å; D757-E759 VanDerWaalsContact O-N 3.15Å; D757-E759 WeakPolarHBondContact OD1-CA 3.27Å; D757-E759 WeakPolarHBondContact OD1-CB 3.49Å; D757-E759 PolarHBondContact OD1-N 3.07Å; D757-L760 HydrophobicContact CB-CD1 4.25Å; D757-L760 HydrophobicContact CB-CG 4.42Å; D757-L760 PolarHBondContact O-N 2.83Å
758F61.8Low63.7Low65 Ų6581.3 Ų81.329%0.28542%0.421SS..THydrogen-bonded Turntrans-59.6-18.2173.5-67.9-76.9000112.8F401 Y417 M756 L761F401-F758 HydrophobicContact CE1-CB 3.66Å; F401-F758 WeakPolarHBondContact CE1-O 3.33Å; F401-F758 HydrophobicContact CZ-CB 3.91Å; F401-F758 WeakPolarHBondContact CZ-O 3.24Å; Y417-F758 AromaticContact CD2-CE1 3.89Å; Y417-F758 HydrophobicContact CD2-CE1 3.89Å; Y417-F758 HydrophobicContact CD2-CZ 4.07Å; Y417-F758 AromaticContact CE2-CE1 3.87Å; Y417-F758 HydrophobicContact CE2-CE1 3.87Å; Y417-F758 HydrophobicContact CG-CE1 4.37Å; Y417-F758 HydrophobicContact CG-CZ 4.34Å; M756-F758 VanDerWaalsContact O-CD2 3.3Å; M756-F758 WeakPolarHBondContact O-CD2 3.36Å; M756-F758 PolarHBondContact O-N 3.35Å; F758-L761 PolarHBondContact O-N 2.86Å
759E62.9Low63.7Low16 Ų1681.5 Ų81.58%0.07541%0.414CS..THydrogen-bonded Turntrans-72.6-35.6179.5-152.5173.1134.200112.8R390 D757 L761 R762 Q777R390-E759 WeakPolarHBondContact CD-OE2 3.35Å; R390-E759 IonicContact CZ-OE2 3.91Å; R390-E759 IonicContact NE-OE2 3.71Å; R390-E759 IonicContact NH1-OE2 2.67Å; R390-E759 PolarHBondContact NH1-OE2 3.37Å; D757-E759 PolarHBondContact O-N 3.02Å; D757-E759 VanDerWaalsContact O-N 3.15Å; D757-E759 WeakPolarHBondContact OD1-CA 3.27Å; D757-E759 WeakPolarHBondContact OD1-CB 3.49Å; D757-E759 PolarHBondContact OD1-N 3.07Å; E759-L761 PolarHBondContact O-N 3.03Å; E759-R762 WeakPolarHBondContact O-CG 3.4Å; E759-R762 PolarHBondContact O-N 3Å; E759-R762 PolarHBondContact O-NE 2.77Å; E759-R762 IonicContact OE1-CZ 3.22Å; E759-R762 IonicContact OE1-NH2 3.84Å; E759-R762 PolarHBondContact OE1-NH2 3.37Å; E759-Q777 PolarHBondContact OE1-NE2 2.98Å
760L62.4Low63.9Low84 Ų8476.5 Ų76.544%0.4440%0.396SS..THydrogen-bonded Turntrans-69.5-12.4170.1-68.9173.5000113.3D757 Q777D757-L760 HydrophobicContact CB-CD1 4.25Å; D757-L760 HydrophobicContact CB-CG 4.42Å; D757-L760 PolarHBondContact O-N 2.83Å; L760-Q777 HydrophobicContact CD2-CB 3.97Å
761L61.5Low64.3Low99 Ų9974.8 Ų74.852%0.51838%0.384SS..THydrogen-bonded Turntrans-99.64.7178.4-60-179.4000113.5M756 F758 E759M756-L761 HydrophobicContact CG-CD1 3.8Å; M756-L761 HydrophobicContact SD-CD1 3.56Å; M756-L761 VanDerWaalsContact SD-CD1 3.56Å; F758-L761 PolarHBondContact O-N 2.86Å; E759-L761 PolarHBondContact O-N 3.03Å
762R64.2Low64.5Low28 Ų2869.9 Ų69.911%0.10636%0.363CS..  trans-64.7162.5174.3-69.8-171.7-68.4146.7-19.8111.8F401 E759 D767 S773 N775F401-R762 HydrophobicContact CE1-CG 4.24Å; F401-R762 HydrophobicContact CE2-CG 4.47Å; F401-R762 HydrophobicContact CZ-CG 3.77Å; E759-R762 WeakPolarHBondContact O-CG 3.4Å; E759-R762 PolarHBondContact O-N 3Å; E759-R762 PolarHBondContact O-NE 2.77Å; E759-R762 IonicContact OE1-CZ 3.22Å; E759-R762 IonicContact OE1-NH2 3.84Å; E759-R762 PolarHBondContact OE1-NH2 3.37Å; R762-D767 WeakPolarHBondContact CD-OD1 3.45Å; R762-D767 IonicContact CZ-OD1 2.66Å; R762-D767 IonicContact NE-OD1 3.31Å; R762-D767 IonicContact NH1-OD1 2.91Å; R762-D767 PolarHBondContact NH1-OD1 3.1Å; R762-D767 IonicContact NH1-OD2 3.25Å; R762-D767 PolarHBondContact NH1-OD2 3.48Å; R762-S773 PolarHBondContact NH1-O 2.9Å; R762-N775 PolarHBondContact NH1-O 2.74Å; R762-N775 VanDerWaalsContact NH1-O 3.16Å; R762-N775 PolarHBondContact NH2-O 3.04Å
763S61.8Low65Low54 Ų5467.2 Ų67.238%0.37834%0.344SS..  trans-128.4147176.373.50000110.6W765 N766 D767S763-W765 PolarHBondContact O-N 2.99Å; S763-N766 WeakPolarHBondContact O-CB 3.23Å; S763-N766 PolarHBondContact O-N 2.95Å; S763-D767 PolarHBondContact O-N 2.82Å
764D60.8Low65.9Low77 Ų7763.5 Ų63.541%0.41232%0.322SS..Hα-helixtrans-46.4-29.5177.2-53.216.2000113.1L768D764-L768 VanDerWaalsContact O-CB 3.29Å; D764-L768 WeakPolarHBondContact O-CB 3.28Å; D764-L768 WeakPolarHBondContact O-CD1 3.47Å; D764-L768 WeakPolarHBondContact O-CG 3.49Å; D764-L768 PolarHBondContact O-N 3.25Å; D764-L768 VanDerWaalsContact O-N 3.14Å
765W62.3Low67.1Low127 Ų12757.9 Ų57.948%0.48129%0.292SS..Hα-helixtrans-72.2-36.2178.2-174.5101.9000113.7S763 R769S763-W765 PolarHBondContact O-N 2.99Å; W765-R769 VanDerWaalsContact CE2-NE 3.26Å; W765-R769 WeakPolarHBondContact O-CG 3.41Å
766N63.7Low68.1Low37 Ų3751.8 Ų51.820%0.19825%0.253CS..Hα-helixtrans-67.8-49.1176.3-72.14.7000109.2S763 L768 R769 C770S763-N766 WeakPolarHBondContact O-CB 3.23Å; S763-N766 PolarHBondContact O-N 2.95Å; N766-L768 VanDerWaalsContact C-N 3.34Å; N766-L768 PolarHBondContact O-N 2.93Å; N766-R769 CarbonylContact O-C 3.52Å; N766-R769 PolarHBondContact O-N 3.35Å; N766-C770 WeakPolarHBondContact O-CB 3.32Å; N766-C770 PolarHBondContact O-N 2.79Å
767D65.9Low69.4Low4 Ų449.6 Ų49.62%0.02124%0.241CC..Hα-helixtrans-75.9-21.1-172-54.5-44.1000113.4L380 R762 S763 R769 S773 L776L380-D767 HydrophobicContact CD1-CB 4.42Å; R762-D767 WeakPolarHBondContact CD-OD1 3.45Å; R762-D767 IonicContact CZ-OD1 2.66Å; R762-D767 IonicContact NE-OD1 3.31Å; R762-D767 IonicContact NH1-OD1 2.91Å; R762-D767 PolarHBondContact NH1-OD1 3.1Å; R762-D767 IonicContact NH1-OD2 3.25Å; R762-D767 PolarHBondContact NH1-OD2 3.48Å; S763-D767 PolarHBondContact O-N 2.82Å; D767-R769 VanDerWaalsContact C-N 3.26Å; D767-S773 WeakPolarHBondContact OD1-CB 3.19Å; D767-S773 PolarHBondContact OD1-OG 2.79Å; D767-L776 WeakPolarHBondContact OD2-CD2 3.49Å
768L65.9Low70.6Confident82 Ų8246.2 Ų46.243%0.42922%0.223SC..THydrogen-bonded Turntrans-81.9-0.1168.4-70.8172.3000113.6L380 D764 N766 V1030L380-L768 HydrophobicContact CD1-CD2 4.07Å; L380-L768 HydrophobicContact CD1-CG 4.43Å; L380-L768 HydrophobicContact CD2-CD2 4.49Å; L380-L768 HydrophobicContact CG-CD2 4.07Å; D764-L768 VanDerWaalsContact O-CB 3.29Å; D764-L768 WeakPolarHBondContact O-CB 3.28Å; D764-L768 WeakPolarHBondContact O-CD1 3.47Å; D764-L768 WeakPolarHBondContact O-CG 3.49Å; D764-L768 PolarHBondContact O-N 3.25Å; D764-L768 VanDerWaalsContact O-N 3.14Å; N766-L768 VanDerWaalsContact C-N 3.34Å; N766-L768 PolarHBondContact O-N 2.93Å; L768-V1030 HydrophobicContact CD2-CG1 4.24Å
769R68Low71.8Confident178 Ų17845 Ų4567%0.67223%0.225SC*.THydrogen-bonded Turntrans-124.3-25.4178.6-70.2-179.9174.7-125.5-4.6113.5W765 N766 D767W765-R769 VanDerWaalsContact CE2-NE 3.26Å; W765-R769 WeakPolarHBondContact O-CG 3.41Å; N766-R769 CarbonylContact O-C 3.52Å; N766-R769 PolarHBondContact O-N 3.35Å; D767-R769 VanDerWaalsContact C-N 3.26Å
770C75.1Confident73.1Confident8 Ų849.6 Ų49.65%0.05425%0.247CC..  trans-85.5131.2170.7-177.10000110.1C400 N766 V772 S773C400-C770 HydrophobicContact CB-CB 3.68Å; C400-C770 WeakPolarHBondContact CB-SG 3.49Å; C400-C770 WeakPolarHBondContact SG-CB 3.25Å; C400-C770 CovalentContact SG-SG 2.02Å; C400-C770 PolarHBondContact SG-SG 2.82Å; N766-C770 WeakPolarHBondContact O-CB 3.32Å; N766-C770 PolarHBondContact O-N 2.79Å; C770-V772 WeakPolarHBondContact SG-CG2 3.37Å; C770-V772 PolarHBondContact SG-N 3.39Å; C770-V772 VanDerWaalsContact SG-N 3.35Å; C770-S773 PolarHBondContact O-OG 3Å; C770-S773 PolarHBondContact SG-N 2.89Å; C770-S773 VanDerWaalsContact SG-N 3.35Å
771N79.1Confident74.5Confident54 Ų5449.6 Ų49.629%0.28925%0.254SS..SBendtrans-98.48.6175.663.1-13.3000113.1Y1027 W1028N771-Y1027 HydrophobicContact CB-CD2 4.1Å; N771-Y1027 HydrophobicContact CB-CG 4.39Å; N771-Y1027 VanDerWaalsContact ND2-CB 3.31Å; N771-Y1027 WeakPolarHBondContact ND2-CB 3.49Å; N771-W1028 PolarHBondContact O-N 2.73Å
772V79.9Confident75.9Confident0 Ų047.2 Ų47.20%024%0.24CC..SBendtrans-120.4-2176.7-62.10000114.3L391 M394 E395 N398 C400 C770 G774L391-V772 HydrophobicContact CB-CB 4Å; L391-V772 HydrophobicContact CB-CG1 4.28Å; L391-V772 HydrophobicContact CD1-CB 4.42Å; L391-V772 HydrophobicContact CD1-CG1 4.18Å; L391-V772 PolarHBondContact N-O 2.95Å; M394-V772 HydrophobicContact CB-CG1 3.91Å; E395-V772 HydrophobicContact CG-CG2 4.44Å; N398-V772 HydrophobicContact CB-CG2 4.01Å; C400-V772 HydrophobicContact CB-CG2 4.4Å; C400-V772 WeakPolarHBondContact SG-CG2 3.32Å; C770-V772 WeakPolarHBondContact SG-CG2 3.37Å; C770-V772 PolarHBondContact SG-N 3.39Å; C770-V772 VanDerWaalsContact SG-N 3.35Å; V772-G774 PolarHBondContact O-N 3.1Å
773S76.2Confident77.3Confident9 Ų946 Ų466%0.06324%0.235CC..  trans-78.1-13-168.351.80000116.8R762 D767 C770R762-S773 PolarHBondContact NH1-O 2.9Å; D767-S773 WeakPolarHBondContact OD1-CB 3.19Å; D767-S773 PolarHBondContact OD1-OG 2.79Å; C770-S773 PolarHBondContact O-OG 3Å; C770-S773 PolarHBondContact SG-N 2.89Å; C770-S773 VanDerWaalsContact SG-N 3.35Å
774G80.1Confident78.9Confident6 Ų646.9 Ų46.96%0.06224%0.239CC..  trans67.6-165.7-174.100000114.2T389 V772T389-G774 WeakPolarHBondContact OG1-CA 3.32Å; V772-G774 PolarHBondContact O-N 3.1Å
775N81.1Confident80.4Confident2 Ų248.2 Ų48.21%0.01125%0.246CC..SBendtrans-64.3164.9173.5-80.9-46.9000112.5V383 D387 T389 R762 C1080 N1082V383-N775 HydrophobicContact CB-CB 4.49Å; V383-N775 HydrophobicContact CG2-CB 4.07Å; D387-N775 WeakPolarHBondContact OD2-CB 3.39Å; D387-N775 PolarHBondContact OD2-ND2 3.42Å; T389-N775 PolarHBondContact OG1-N 2.77Å; R762-N775 PolarHBondContact NH1-O 2.74Å; R762-N775 VanDerWaalsContact NH1-O 3.16Å; R762-N775 PolarHBondContact NH2-O 3.04Å; N775-C1080 PolarHBondContact ND2-O 3.02Å; N775-C1080 WeakPolarHBondContact OD1-CB 3.45Å; N775-C1080 PolarHBondContact OD1-N 2.99Å; N775-N1082 PolarHBondContact ND2-ND2 3Å; N775-N1082 PolarHBondContact ND2-OD1 3.25Å
776L79.3Confident81.9Confident7 Ų742.3 Ų42.34%0.03722%0.224CC..EExtended strand (participates in β ladder)trans-77.2135.6166.9-75.1154.5000110L380 F382 V383 D767L380-L776 HydrophobicContact CB-CD1 3.89Å; L380-L776 HydrophobicContact CD1-CD1 4.36Å; F382-L776 CarbonylContact C-O 3.53Å; F382-L776 VanDerWaalsContact CA-O 3.24Å; F382-L776 WeakPolarHBondContact CA-O 3.35Å; F382-L776 HydrophobicContact CB-CB 4.41Å; F382-L776 HydrophobicContact CD1-CB 3.6Å; F382-L776 HydrophobicContact CD1-CD1 4.35Å; F382-L776 HydrophobicContact CD1-CD2 4.48Å; F382-L776 HydrophobicContact CD1-CG 4.38Å; F382-L776 HydrophobicContact CE1-CB 3.93Å; F382-L776 HydrophobicContact CE1-CD1 4.02Å; F382-L776 HydrophobicContact CE1-CD2 3.99Å; F382-L776 HydrophobicContact CE1-CG 4.22Å; F382-L776 HydrophobicContact CE2-CD1 4.19Å; F382-L776 HydrophobicContact CG-CB 4.01Å; F382-L776 HydrophobicContact CZ-CD1 3.91Å; F382-L776 HydrophobicContact CZ-CD2 4.5Å; V383-L776 PolarHBondContact N-O 3.31Å; D767-L776 WeakPolarHBondContact OD2-CD2 3.49Å
777Q83.3Confident83.5Confident29 Ų2940.7 Ų40.714%0.13622%0.215CC..EExtended strand (participates in β ladder)trans-85.7144.5174.8-69.8-15635.300113.4F382 V383 N386 E759 L760F382-Q777 WeakPolarHBondContact CD1-O 3.14Å; V383-Q777 CarbonylContact O-C 3.58Å; V383-Q777 WeakPolarHBondContact O-CA 3.26Å; N386-Q777 PolarHBondContact ND2-NE2 3.02Å; N386-Q777 VanDerWaalsContact ND2-NE2 3.15Å; E759-Q777 PolarHBondContact OE1-NE2 2.98Å; L760-Q777 HydrophobicContact CD2-CB 3.97Å
778L87Confident84.9Confident5 Ų543.3 Ų43.33%0.02624%0.237CC..PPolyproline II helixtrans-100.4131.3173.5175.459.1000110.1F382 V383 Y384 E780 E782 V783 V810 K812 Y822F382-L778 HydrophobicContact CB-CB 3.99Å; V383-L778 PolarHBondContact O-N 3.09Å; Y384-L778 WeakPolarHBondContact CD2-O 3.46Å; L778-E780 PolarHBondContact O-N 3.36Å; L778-E782 HydrophobicContact CD1-CB 4.4Å; L778-V783 HydrophobicContact CD2-CG2 3.49Å; L778-V783 VanDerWaalsContact CD2-CG2 3.49Å; L778-V783 HydrophobicContact CG-CG2 3.72Å; L778-V810 HydrophobicContact CD2-CG1 4.02Å; L778-K812 HydrophobicContact CD1-CB 4.35Å; L778-K812 HydrophobicContact CD1-CD 3.47Å; L778-K812 VanDerWaalsContact CD1-CD 3.47Å; L778-K812 HydrophobicContact CD2-CB 3.75Å; L778-K812 HydrophobicContact CD2-CD 4.32Å; L778-Y822 HydrophobicContact CD2-CE1 4.41Å
779A87.8Confident86.2Confident39 Ų3943 Ų4332%0.32223%0.233SC..PPolyproline II helixtrans-61.9133.5178.300000112.4S781 E782 V783A779-S781 VanDerWaalsContact C-N 3.33Å; A779-S781 PolarHBondContact O-N 2.92Å; A779-E782 PolarHBondContact O-N 3.34Å; A779-V783 PolarHBondContact O-N 3.32Å
780E90.3Very high87.5Confident112 Ų11234.6 Ų34.652%0.52320%0.202SC..Hα-helixtrans-56.9-40.7-175.3-177.1162.9132.900113.6Y384 L778 E782 V783 V784Y384-E780 HydrophobicContact CD2-CB 4.43Å; Y384-E780 HydrophobicContact CE2-CB 3.67Å; Y384-E780 HydrophobicContact CE2-CG 3.85Å; Y384-E780 WeakPolarHBondContact CE2-OE2 3.38Å; Y384-E780 WeakPolarHBondContact OH-CG 3.43Å; Y384-E780 PolarHBondContact OH-OE2 2.94Å; L778-E780 PolarHBondContact O-N 3.36Å; E780-E782 VanDerWaalsContact C-N 3.32Å; E780-E782 PolarHBondContact O-N 2.73Å; E780-V783 WeakPolarHBondContact O-CA 3.46Å; E780-V783 WeakPolarHBondContact O-CB 3.23Å; E780-V783 PolarHBondContact O-N 2.92Å; E780-V784 HydrophobicContact CG-CG2 4.04Å; E780-V784 WeakPolarHBondContact O-CG2 3.08Å; E780-V784 PolarHBondContact O-N 3.42Å
781S90.6Very high88.5Confident85 Ų8535.1 Ų35.159%0.59420%0.204SC*.Hα-helixtrans-58-41.5-179.548.90000112.9A779 V783 V784 D785A779-S781 VanDerWaalsContact C-N 3.33Å; A779-S781 PolarHBondContact O-N 2.92Å; S781-V783 VanDerWaalsContact C-N 3.29Å; S781-V783 PolarHBondContact O-N 3.41Å; S781-V784 PolarHBondContact O-N 3.25Å; S781-D785 WeakPolarHBondContact O-CB 3.19Å; S781-D785 PolarHBondContact O-N 2.93Å
782E91.4Very high89.3Confident49 Ų4937.5 Ų37.523%0.22921%0.213CC..Hα-helixtrans-67.4-31.9176.3-167.8-175.1138.700111.9L778 A779 E780 V786 K812 Y822L778-E782 HydrophobicContact CD1-CB 4.4Å; A779-E782 PolarHBondContact O-N 3.34Å; E780-E782 VanDerWaalsContact C-N 3.32Å; E780-E782 PolarHBondContact O-N 2.73Å; E782-V786 WeakPolarHBondContact O-CB 3.28Å; E782-V786 VanDerWaalsContact O-CG2 3.31Å; E782-V786 WeakPolarHBondContact O-CG2 3.46Å; E782-V786 PolarHBondContact O-N 3.14Å; E782-K812 VanDerWaalsContact OE1-CD 3.26Å; E782-K812 WeakPolarHBondContact OE1-CD 3.42Å; E782-K812 WeakPolarHBondContact OE1-CE 3.35Å; E782-K812 IonicContact OE1-NZ 3.93Å; E782-K812 PolarHBondContact OE1-NZ 2.77Å; E782-K812 IonicContact OE2-NZ 3.81Å; E782-K812 PolarHBondContact OE2-NZ 3.49Å; E782-Y822 WeakPolarHBondContact OE1-CE1 3.45Å; E782-Y822 PolarHBondContact OE1-OH 3.19Å
783V94.7Very high90.1Very high1 Ų140.6 Ų40.61%0.00623%0.227CC..Hα-helixtrans-69.9-49.3175.2177.90000110.4Y384 L778 A779 E780 S781 D785 V786 L787 I807 V810Y384-V783 HydrophobicContact CD1-CB 4.2Å; Y384-V783 HydrophobicContact CD1-CG1 3.8Å; Y384-V783 HydrophobicContact CD1-CG2 3.96Å; Y384-V783 HydrophobicContact CD2-CG2 4.38Å; Y384-V783 HydrophobicContact CE1-CG1 4.15Å; Y384-V783 HydrophobicContact CG-CB 4.42Å; Y384-V783 HydrophobicContact CG-CG1 4.46Å; Y384-V783 HydrophobicContact CG-CG2 3.77Å; L778-V783 HydrophobicContact CD2-CG2 3.49Å; L778-V783 VanDerWaalsContact CD2-CG2 3.49Å; L778-V783 HydrophobicContact CG-CG2 3.72Å; A779-V783 PolarHBondContact O-N 3.32Å; E780-V783 WeakPolarHBondContact O-CA 3.46Å; E780-V783 WeakPolarHBondContact O-CB 3.23Å; E780-V783 PolarHBondContact O-N 2.92Å; S781-V783 VanDerWaalsContact C-N 3.29Å; S781-V783 PolarHBondContact O-N 3.41Å; V783-D785 VanDerWaalsContact C-N 3.33Å; V783-D785 PolarHBondContact O-N 3.04Å; V783-V786 PolarHBondContact O-N 3.37Å; V783-L787 HydrophobicContact CG1-CD1 3.57Å; V783-L787 HydrophobicContact CG1-CG 3.95Å; V783-L787 WeakPolarHBondContact O-CB 3.44Å; V783-L787 VanDerWaalsContact O-CG 3.26Å; V783-L787 WeakPolarHBondContact O-CG 3.31Å; V783-L787 PolarHBondContact O-N 3.41Å; V783-I807 HydrophobicContact CG1-CD1 4.22Å; V783-V810 HydrophobicContact CG1-CB 4.28Å; V783-V810 HydrophobicContact CG1-CG1 4.35Å; V783-V810 HydrophobicContact CG1-CG2 3.88Å; V783-V810 HydrophobicContact CG2-CB 4.41Å; V783-V810 HydrophobicContact CG2-CG1 4.18Å
784V94.5Very high91Very high74 Ų7440.2 Ų40.245%0.44822%0.224SC..Hα-helixtrans-58.1-45.7178.1173.60000110.6E780 S781 V786 L787 A788E780-V784 HydrophobicContact CG-CG2 4.04Å; E780-V784 WeakPolarHBondContact O-CG2 3.08Å; E780-V784 PolarHBondContact O-N 3.42Å; S781-V784 PolarHBondContact O-N 3.25Å; V784-V786 PolarHBondContact O-N 3.14Å; V784-L787 PolarHBondContact O-N 3.13Å; V784-A788 WeakPolarHBondContact O-CB 3.29Å; V784-A788 PolarHBondContact O-N 3.33Å
785D92.5Very high91.8Very high104 Ų10441.6 Ų41.656%0.55623%0.229SC*.Hα-helixtrans-58.7-45.9177-80.2-15.2000112.8S781 V783 Q789S781-D785 WeakPolarHBondContact O-CB 3.19Å; S781-D785 PolarHBondContact O-N 2.93Å; V783-D785 VanDerWaalsContact C-N 3.33Å; V783-D785 PolarHBondContact O-N 3.04Å; D785-Q789 WeakPolarHBondContact O-CG 3.44Å; D785-Q789 PolarHBondContact O-NE2 2.77Å
786V94.1Very high92.5Very high3 Ų347.3 Ų47.32%0.01826%0.256CS..Hα-helixtrans-71.2-42.1-179.4169.10000111.4E782 V783 V784 Y790 Y822 L844 L879E782-V786 WeakPolarHBondContact O-CB 3.28Å; E782-V786 VanDerWaalsContact O-CG2 3.31Å; E782-V786 WeakPolarHBondContact O-CG2 3.46Å; E782-V786 PolarHBondContact O-N 3.14Å; V783-V786 PolarHBondContact O-N 3.37Å; V784-V786 PolarHBondContact O-N 3.14Å; V786-Y790 PolarHBondContact O-N 3.49Å; V786-Y790 VanDerWaalsContact O-N 3.14Å; V786-Y822 HydrophobicContact CG1-CD2 4.31Å; V786-Y822 HydrophobicContact CG1-CG 4.39Å; V786-Y822 HydrophobicContact CG2-CE1 4.38Å; V786-Y822 HydrophobicContact CG2-CE2 4.19Å; V786-L844 HydrophobicContact CG2-CD2 4.46Å; V786-L879 HydrophobicContact CG1-CD2 4.17Å; V786-L879 WeakPolarHBondContact O-CD1 3.14Å
787L96.2Very high93.3Very high4 Ų452.9 Ų52.92%0.02128%0.277CS..Hα-helixtrans-73.5-35.9-178.6-66.1-172.9000112.7V783 V784 Y790 M791 I807 V810 V824 L826V783-L787 HydrophobicContact CG1-CD1 3.57Å; V783-L787 HydrophobicContact CG1-CG 3.95Å; V783-L787 WeakPolarHBondContact O-CB 3.44Å; V783-L787 VanDerWaalsContact O-CG 3.26Å; V783-L787 WeakPolarHBondContact O-CG 3.31Å; V783-L787 PolarHBondContact O-N 3.41Å; V784-L787 PolarHBondContact O-N 3.13Å; L787-Y790 PolarHBondContact O-N 3.38Å; L787-M791 WeakPolarHBondContact O-CB 3.15Å; L787-M791 VanDerWaalsContact O-CG 3.32Å; L787-M791 WeakPolarHBondContact O-CG 3.11Å; L787-M791 PolarHBondContact O-N 3.4Å; L787-I807 HydrophobicContact CD1-CD1 3.57Å; L787-I807 HydrophobicContact CD1-CG1 3.67Å; L787-I807 HydrophobicContact CD1-CG2 4.08Å; L787-V810 HydrophobicContact CD1-CG2 4.25Å; L787-V810 HydrophobicContact CD2-CG2 4.45Å; L787-V824 HydrophobicContact CD2-CB 4.34Å; L787-V824 HydrophobicContact CD2-CG1 3.43Å; L787-V824 VanDerWaalsContact CD2-CG1 3.43Å; L787-V824 HydrophobicContact CD2-CG2 3.91Å; L787-L826 HydrophobicContact CD1-CD2 3.8Å; L787-L826 HydrophobicContact CD2-CD1 4.29Å; L787-L826 HydrophobicContact CD2-CD2 4.08Å
788A95Very high93.8Very high58 Ų5852.3 Ų52.348%0.47928%0.275SS..Hα-helixtrans-60.5-49176.700000111.2V784 Y790 M791 E792V784-A788 WeakPolarHBondContact O-CB 3.29Å; V784-A788 PolarHBondContact O-N 3.33Å; A788-Y790 VanDerWaalsContact C-N 3.34Å; A788-Y790 PolarHBondContact O-N 3.14Å; A788-M791 PolarHBondContact O-N 2.85Å; A788-E792 WeakPolarHBondContact O-CB 3.39Å; A788-E792 PolarHBondContact O-N 3.15Å
789Q94Very high94.2Very high76 Ų7655.2 Ų55.236%0.35531%0.306SS..Hα-helixtrans-61.6-39174.9-69.8171.181.200112.3D785 K793 L879D785-Q789 WeakPolarHBondContact O-CG 3.44Å; D785-Q789 PolarHBondContact O-NE2 2.77Å; Q789-K793 WeakPolarHBondContact O-CG 3.4Å; Q789-K793 PolarHBondContact O-N 3.11Å; Q789-L879 HydrophobicContact CB-CD1 3.49Å; Q789-L879 VanDerWaalsContact CB-CD1 3.49Å
790Y95.9Very high94.5Very high2 Ų255.9 Ų55.91%0.00832%0.316CS..Hα-helixtrans-68.6-43.5177-176.3-109.6000112.6V352 L353 V786 L787 A788 E792 K793 L794 L838 I842V352-Y790 HydrophobicContact CG1-CD2 4.4Å; V352-Y790 HydrophobicContact CG1-CE2 3.88Å; L353-Y790 HydrophobicContact CD1-CD2 3.82Å; L353-Y790 HydrophobicContact CD1-CE2 3.94Å; L353-Y790 HydrophobicContact CD2-CD2 4.26Å; L353-Y790 HydrophobicContact CG-CD2 4Å; L353-Y790 HydrophobicContact CG-CE2 4.04Å; V786-Y790 PolarHBondContact O-N 3.49Å; V786-Y790 VanDerWaalsContact O-N 3.14Å; L787-Y790 PolarHBondContact O-N 3.38Å; A788-Y790 VanDerWaalsContact C-N 3.34Å; A788-Y790 PolarHBondContact O-N 3.14Å; Y790-E792 VanDerWaalsContact C-N 3.34Å; Y790-K793 PolarHBondContact O-N 2.79Å; Y790-L794 WeakPolarHBondContact O-CB 3.2Å; Y790-L794 PolarHBondContact O-N 2.91Å; Y790-L838 HydrophobicContact CE1-CD1 3.75Å; Y790-L838 HydrophobicContact CE1-CD2 3.89Å; Y790-I842 HydrophobicContact CD1-CD1 4Å; Y790-I842 HydrophobicContact CD2-CD1 3.45Å; Y790-I842 VanDerWaalsContact CD2-CD1 3.45Å; Y790-I842 HydrophobicContact CD2-CG1 4.32Å; Y790-I842 HydrophobicContact CE1-CD1 4.24Å; Y790-I842 HydrophobicContact CE2-CD1 3.71Å; Y790-I842 HydrophobicContact CE2-CG1 4.29Å; Y790-I842 HydrophobicContact CG-CD1 3.58Å
791M96.5Very high94.7Very high19 Ų1952 Ų529%0.09430%0.299CS..Hα-helixtrans-67.4-33.4178-74-59.4-58.200112.4L787 A788 L794 N795 Y802 L804 L826 L828L787-M791 WeakPolarHBondContact O-CB 3.15Å; L787-M791 VanDerWaalsContact O-CG 3.32Å; L787-M791 WeakPolarHBondContact O-CG 3.11Å; L787-M791 PolarHBondContact O-N 3.4Å; A788-M791 PolarHBondContact O-N 2.85Å; M791-L794 HydrophobicContact CE-CD2 4.32Å; M791-L794 HydrophobicContact SD-CD2 3.96Å; M791-N795 WeakPolarHBondContact O-CB 3.27Å; M791-N795 PolarHBondContact O-N 2.93Å; M791-N795 PolarHBondContact O-ND2 2.77Å; M791-Y802 WeakPolarHBondContact CE-O 2.91Å; M791-L804 HydrophobicContact CE-CB 4.32Å; M791-L826 HydrophobicContact SD-CD1 4.27Å; M791-L828 HydrophobicContact CE-CD2 3.85Å; M791-L828 HydrophobicContact SD-CD2 3.74Å
792E95.5Very high95Very high103 Ų10348.1 Ų48.148%0.48127%0.271SS..Hα-helixtrans-56.3-56168.2-175.6-168.5-124.900109.9A788 Y790 L794 N795 E796A788-E792 WeakPolarHBondContact O-CB 3.39Å; A788-E792 PolarHBondContact O-N 3.15Å; Y790-E792 VanDerWaalsContact C-N 3.34Å; E792-L794 PolarHBondContact O-N 3.35Å; E792-N795 PolarHBondContact O-N 2.71Å; E792-N795 VanDerWaalsContact O-N 3.16Å; E792-E796 WeakPolarHBondContact O-CG 3.46Å; E792-E796 PolarHBondContact O-N 2.62Å
793K95.5Very high95.3Very high66 Ų6650 Ų5029%0.28729%0.286SS..Hα-helixtrans-67.7-33.8-177.9-59.9-42.1-179.8-147.20113.8V352 L353 Q789 Y790 N795 E796 R797V352-K793 HydrophobicContact CG1-CB 4.13Å; V352-K793 WeakPolarHBondContact O-CB 3.49Å; L353-K793 HydrophobicContact CD2-CB 4.31Å; L353-K793 HydrophobicContact CD2-CG 4.33Å; Q789-K793 WeakPolarHBondContact O-CG 3.4Å; Q789-K793 PolarHBondContact O-N 3.11Å; Y790-K793 PolarHBondContact O-N 2.79Å; K793-N795 VanDerWaalsContact C-N 3.29Å; K793-N795 PolarHBondContact O-N 3.48Å; K793-E796 WeakPolarHBondContact CD-OE2 3.31Å; K793-E796 VanDerWaalsContact NZ-CD 3.29Å; K793-E796 IonicContact NZ-OE1 2.8Å; K793-E796 PolarHBondContact NZ-OE1 3.14Å; K793-E796 IonicContact NZ-OE2 3.78Å; K793-E796 PolarHBondContact NZ-OE2 2.77Å; K793-R797 VanDerWaalsContact O-CB 3.3Å; K793-R797 WeakPolarHBondContact O-CB 3.19Å; K793-R797 PolarHBondContact O-N 2.85Å; K793-R797 VanDerWaalsContact O-N 3.09Å
794L96.6Very high95.4Very high0 Ų053 Ų530%030%0.302CS..Hα-helixtrans-62.3-39.1173.5-176.564.9000111.1L349 V352 Y790 M791 E792 N798 Y802 L828 L838L349-L794 HydrophobicContact CD2-CD1 4.11Å; V352-L794 HydrophobicContact CG1-CB 4.19Å; V352-L794 HydrophobicContact CG1-CD1 4.4Å; V352-L794 HydrophobicContact CG2-CD1 3.86Å; Y790-L794 WeakPolarHBondContact O-CB 3.2Å; Y790-L794 PolarHBondContact O-N 2.91Å; M791-L794 HydrophobicContact CE-CD2 4.32Å; M791-L794 HydrophobicContact SD-CD2 3.96Å; E792-L794 PolarHBondContact O-N 3.35Å; L794-N798 WeakPolarHBondContact O-CB 3.16Å; L794-N798 PolarHBondContact O-N 2.99Å; L794-N798 PolarHBondContact O-ND2 3.35Å; L794-Y802 HydrophobicContact CD1-CD2 4.46Å; L794-Y802 HydrophobicContact CD2-CD2 4.19Å; L794-Y802 HydrophobicContact CD2-CG 4.41Å; L794-Y802 HydrophobicContact CG-CD2 4.02Å; L794-L828 HydrophobicContact CD2-CD1 3.65Å; L794-L838 HydrophobicContact CD2-CD1 3.92Å
795N96.6Very high95.5Very high35 Ų3553.6 Ų53.619%0.18730%0.302CS..Hα-helixtrans-83-34.1179.8-83-48.4000114.2M791 E792 K793 R797 N798 G799 G800 I801 Y802M791-N795 WeakPolarHBondContact O-CB 3.27Å; M791-N795 PolarHBondContact O-N 2.93Å; M791-N795 PolarHBondContact O-ND2 2.77Å; E792-N795 PolarHBondContact O-N 2.71Å; E792-N795 VanDerWaalsContact O-N 3.16Å; K793-N795 VanDerWaalsContact C-N 3.29Å; K793-N795 PolarHBondContact O-N 3.48Å; N795-R797 PolarHBondContact O-N 2.95Å; N795-N798 PolarHBondContact O-N 3.26Å; N795-G799 PolarHBondContact O-N 3.13Å; N795-G800 PolarHBondContact O-N 2.95Å; N795-G800 VanDerWaalsContact OD1-CA 3.27Å; N795-G800 WeakPolarHBondContact OD1-CA 3.36Å; N795-I801 PolarHBondContact OD1-N 3.02Å; N795-Y802 PolarHBondContact ND2-O 2.86Å; N795-Y802 PolarHBondContact OD1-N 3.41Å; N795-Y802 PolarHBondContact OD1-O 2.8Å
796E95.7Very high95.6Very high122 Ų12253.5 Ų53.557%0.5729%0.294SS*.Hα-helixtrans-54.1-45.4166.4-77.8178.5-171.200110.5E792 K793E792-E796 WeakPolarHBondContact O-CG 3.46Å; E792-E796 PolarHBondContact O-N 2.62Å; K793-E796 WeakPolarHBondContact CD-OE2 3.31Å; K793-E796 VanDerWaalsContact NZ-CD 3.29Å; K793-E796 IonicContact NZ-OE1 2.8Å; K793-E796 PolarHBondContact NZ-OE1 3.14Å; K793-E796 IonicContact NZ-OE2 3.78Å; K793-E796 PolarHBondContact NZ-OE2 2.77Å
797R95.3Very high95.7Very high124 Ų12455.1 Ų55.147%0.46830%0.302SS..Hα-helixtrans-68.2-32.7179.6-178.858.7173.4168.15.4113.6Q350 V352 K793 N795Q350-R797 VanDerWaalsContact O-CZ 3.26Å; Q350-R797 PolarHBondContact O-NE 3.05Å; Q350-R797 PolarHBondContact O-NH2 2.74Å; Q350-R797 VanDerWaalsContact O-NH2 3.08Å; V352-R797 HydrophobicContact CG2-CB 4.04Å; V352-R797 HydrophobicContact CG2-CG 3.84Å; K793-R797 VanDerWaalsContact O-CB 3.3Å; K793-R797 WeakPolarHBondContact O-CB 3.19Å; K793-R797 PolarHBondContact O-N 2.85Å; K793-R797 VanDerWaalsContact O-N 3.09Å; N795-R797 PolarHBondContact O-N 2.95Å
798N95.4Very high95.7Very high18 Ų1855 Ų5510%0.09630%0.301CS..Hα-helixtrans-115.84.5-168.4-69.6-74000115.4R348 L794 N795 I801 Y802R348-N798 WeakPolarHBondContact CD-OD1 3.05Å; R348-N798 PolarHBondContact NH1-OD1 2.6Å; R348-N798 PolarHBondContact O-ND2 2.65Å; L794-N798 WeakPolarHBondContact O-CB 3.16Å; L794-N798 PolarHBondContact O-N 2.99Å; L794-N798 PolarHBondContact O-ND2 3.35Å; N795-N798 PolarHBondContact O-N 3.26Å; N798-I801 HydrophobicContact CB-CD1 4.26Å; N798-I801 HydrophobicContact CB-CG1 4.05Å; N798-Y802 HydrophobicContact CB-CD2 4.08Å; N798-Y802 HydrophobicContact CB-CE2 3.79Å
799G93.5Very high95.6Very high66 Ų6652.6 Ų52.668%0.6828%0.28SS*.THydrogen-bonded Turntrans7736.9176.600000114.2N795 I801N795-G799 PolarHBondContact O-N 3.13Å; G799-I801 VanDerWaalsContact C-N 3.3Å; G799-I801 PolarHBondContact O-N 3.35Å
800G94.4Very high95.7Very high52 Ų5249 Ų4954%0.53626%0.263SS..SBendtrans72.613.5174.300000116N795 Y802N795-G800 PolarHBondContact O-N 2.95Å; N795-G800 VanDerWaalsContact OD1-CA 3.27Å; N795-G800 WeakPolarHBondContact OD1-CA 3.36Å; G800-Y802 VanDerWaalsContact C-N 3.34Å; G800-Y802 PolarHBondContact O-N 3.35Å
801I95.3Very high95.6Very high32 Ų3249.1 Ų49.116%0.16426%0.264CS..  trans-79.8-6.1-171.468.1174.9000115.3N795 N798 G799 E830 R831N795-I801 PolarHBondContact OD1-N 3.02Å; N798-I801 HydrophobicContact CB-CD1 4.26Å; N798-I801 HydrophobicContact CB-CG1 4.05Å; G799-I801 VanDerWaalsContact C-N 3.3Å; G799-I801 PolarHBondContact O-N 3.35Å; I801-E830 CarbonylContact O-C 3.54Å; I801-E830 WeakPolarHBondContact O-CA 3.47Å; I801-R831 HydrophobicContact CB-CG 3.96Å; I801-R831 HydrophobicContact CG2-CG 4.2Å; I801-R831 PolarHBondContact O-N 2.81Å
802Y97.6Very high95.4Very high3 Ų349.2 Ų49.21%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-115.8117-176.1-63.9-64.5000112.3I344 R348 M791 L794 N795 N798 G800 L828 M829 E830 V836I344-Y802 HydrophobicContact CD1-CD1 4.41Å; I344-Y802 HydrophobicContact CD1-CD2 4.48Å; I344-Y802 HydrophobicContact CD1-CE1 3.9Å; I344-Y802 HydrophobicContact CD1-CE2 3.96Å; I344-Y802 HydrophobicContact CG1-CE1 4.34Å; R348-Y802 HydrophobicContact CB-CE2 4.45Å; R348-Y802 WeakPolarHBondContact CD-OH 3.37Å; R348-Y802 WeakPolarHBondContact CG-OH 3.44Å; M791-Y802 WeakPolarHBondContact CE-O 2.91Å; L794-Y802 HydrophobicContact CD1-CD2 4.46Å; L794-Y802 HydrophobicContact CD2-CD2 4.19Å; L794-Y802 HydrophobicContact CD2-CG 4.41Å; L794-Y802 HydrophobicContact CG-CD2 4.02Å; N795-Y802 PolarHBondContact ND2-O 2.86Å; N795-Y802 PolarHBondContact OD1-N 3.41Å; N795-Y802 PolarHBondContact OD1-O 2.8Å; N798-Y802 HydrophobicContact CB-CD2 4.08Å; N798-Y802 HydrophobicContact CB-CE2 3.79Å; G800-Y802 VanDerWaalsContact C-N 3.34Å; G800-Y802 PolarHBondContact O-N 3.35Å; Y802-L828 HydrophobicContact CD1-CB 4.36Å; Y802-L828 HydrophobicContact CD1-CD1 4.44Å; Y802-L828 HydrophobicContact CG-CD1 4.43Å; Y802-M829 WeakPolarHBondContact CA-O 3.47Å; Y802-E830 HydrophobicContact CD1-CB 3.98Å; Y802-E830 HydrophobicContact CD1-CG 4.26Å; Y802-E830 HydrophobicContact CE1-CB 3.67Å; Y802-E830 HydrophobicContact CE1-CG 3.62Å; Y802-E830 WeakPolarHBondContact CE1-OE1 3.13Å; Y802-E830 PolarHBondContact OH-OE1 2.8Å; Y802-V836 HydrophobicContact CD1-CG2 4.4Å; Y802-V836 HydrophobicContact CE1-CG2 4.13Å
803T96.8Very high95.1Very high89 Ų8944.6 Ų44.655%0.54624%0.242SC..EExtended strand (participates in β ladder)trans-102.1134.5170.2-50.30000109.6L805 L828 M829T803-L805 PolarHBondContact O-N 3.32Å; T803-L828 CarbonylContact O-C 3.54Å; T803-L828 WeakPolarHBondContact O-CA 3.35Å; T803-M829 PolarHBondContact N-O 2.73Å; T803-M829 PolarHBondContact O-N 2.96Å
804L97.1Very high94.7Very high64 Ų6448.1 Ų48.134%0.33525%0.254SS..EExtended strand (participates in β ladder)trans-66.2127.3172.6177.160.6000109.9M791 I807 L826 L828M791-L804 HydrophobicContact CE-CB 4.32Å; L804-I807 HydrophobicContact CD1-CG1 4.45Å; L804-I807 HydrophobicContact CD2-CG1 4.11Å; L804-L826 HydrophobicContact CD1-CB 4.12Å; L804-L826 HydrophobicContact CD1-CD1 4.34Å; L804-L826 HydrophobicContact CD1-CD2 3.98Å; L804-L826 HydrophobicContact CD1-CG 4.37Å; L804-L828 HydrophobicContact CB-CD2 4.39Å; L804-L828 HydrophobicContact CD1-CD2 3.95Å
805L95.6Very high94.3Very high86 Ų8648.4 Ų48.445%0.4526%0.256SS..EExtended strand (participates in β ladder)trans-99.2-50.3173.5-70.4171.1000111.6T803 E827 M829 V835T803-L805 PolarHBondContact O-N 3.32Å; L805-E827 HydrophobicContact CB-CB 4.41Å; L805-E827 WeakPolarHBondContact CB-O 3.43Å; L805-E827 PolarHBondContact N-O 2.63Å; L805-M829 HydrophobicContact CD1-CB 3.85Å; L805-M829 HydrophobicContact CD1-CE 4.15Å; L805-M829 HydrophobicContact CD2-CB 3.94Å; L805-M829 HydrophobicContact CD2-CE 4.27Å; L805-M829 HydrophobicContact CG-CB 3.8Å; L805-V835 HydrophobicContact CD1-CB 4.44Å; L805-V835 HydrophobicContact CD1-CG1 3.97Å; L805-V835 HydrophobicContact CD1-CG2 3.87Å
806R95.4Very high93.6Very high102 Ų10250.8 Ų50.839%0.38528%0.275SS..EExtended strand (participates in β ladder)trans-151.5135.1-172.1-174162.757.4161.86.3110.5I808 E827R806-I808 HydrophobicContact CB-CD1 4.39Å; R806-I808 HydrophobicContact CG-CD1 3.85Å; R806-E827 HydrophobicContact CB-CB 4.33Å; R806-E827 IonicContact CZ-OE1 3.79Å; R806-E827 IonicContact CZ-OE2 3.03Å; R806-E827 PolarHBondContact N-O 3.21Å; R806-E827 IonicContact NE-OE2 3.32Å; R806-E827 PolarHBondContact NE-OE2 2.96Å; R806-E827 IonicContact NH2-OE1 2.85Å; R806-E827 PolarHBondContact NH2-OE1 3.19Å; R806-E827 IonicContact NH2-OE2 2.62Å; R806-E827 PolarHBondContact NH2-OE2 3Å; R806-E827 PolarHBondContact O-N 3.21Å
807I96.7Very high93Very high36 Ų3648.2 Ų48.219%0.18528%0.275CS..EExtended strand (participates in β ladder)trans-84.8118.8168.5-56169000106.4Y384 V783 L787 L804 V810 L826Y384-I807 HydrophobicContact CD1-CG2 4.03Å; Y384-I807 HydrophobicContact CE1-CB 4.42Å; Y384-I807 HydrophobicContact CE1-CD1 3.96Å; Y384-I807 HydrophobicContact CE1-CG2 4.13Å; V783-I807 HydrophobicContact CG1-CD1 4.22Å; L787-I807 HydrophobicContact CD1-CD1 3.57Å; L787-I807 HydrophobicContact CD1-CG1 3.67Å; L787-I807 HydrophobicContact CD1-CG2 4.08Å; L804-I807 HydrophobicContact CD1-CG1 4.45Å; L804-I807 HydrophobicContact CD2-CG1 4.11Å; I807-V810 HydrophobicContact CG2-CG2 3.67Å; I807-L826 HydrophobicContact CB-CD2 4.39Å; I807-L826 HydrophobicContact CG1-CD2 4.23Å; I807-L826 HydrophobicContact CG2-CD2 4.2Å
808I94.8Very high92.5Very high2 Ų247.7 Ų47.71%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-96-45.6-175.7-59.1-70.9000110.3P334 R335 F338 R806 E825 E827P334-I808 HydrophobicContact CB-CD1 3.59Å; R335-I808 HydrophobicContact CG-CG2 3.8Å; R335-I808 PolarHBondContact NE-O 2.86Å; R335-I808 PolarHBondContact NH2-O 2.74Å; F338-I808 HydrophobicContact CB-CG2 4.13Å; F338-I808 HydrophobicContact CD1-CG2 4.36Å; F338-I808 HydrophobicContact CD2-CB 4.17Å; F338-I808 HydrophobicContact CD2-CD1 4.22Å; F338-I808 HydrophobicContact CD2-CG1 3.71Å; F338-I808 HydrophobicContact CD2-CG2 3.83Å; F338-I808 HydrophobicContact CE2-CB 4.16Å; F338-I808 HydrophobicContact CE2-CG1 3.72Å; F338-I808 HydrophobicContact CE2-CG2 4.24Å; F338-I808 HydrophobicContact CG-CG2 3.87Å; R806-I808 HydrophobicContact CB-CD1 4.39Å; R806-I808 HydrophobicContact CG-CD1 3.85Å; I808-E825 HydrophobicContact CB-CB 4.39Å; I808-E825 WeakPolarHBondContact CB-O 3.45Å; I808-E825 PolarHBondContact N-O 2.91Å; I808-E827 HydrophobicContact CD1-CG 4.02Å; I808-E827 HydrophobicContact CG1-CG 3.98Å
809N94.2Very high92.2Very high7 Ų746.9 Ų46.94%0.03727%0.268CS..EExtended strand (participates in β ladder)trans-157.6131.9-179.2-173.121.3000110.4Y384 E811 E825Y384-N809 CarbonylContact O-C 2.89Å; Y384-N809 WeakPolarHBondContact O-CA 3.41Å; N809-E811 WeakPolarHBondContact ND2-CG 3.49Å; N809-E811 PolarHBondContact ND2-OE1 3.32Å; N809-E811 WeakPolarHBondContact OD1-CG 3.47Å; N809-E825 HydrophobicContact CB-CB 3.92Å; N809-E825 HydrophobicContact CB-CG 4Å; N809-E825 PolarHBondContact N-O 2.02Å; N809-E825 VanDerWaalsContact N-O 3.12Å; N809-E825 PolarHBondContact ND2-OE2 2.93Å; N809-E825 PolarHBondContact O-N 2.82Å
810V95.5Very high92.1Very high0 Ų044.9 Ų44.90%024%0.242CC..EExtended strand (participates in β ladder)trans-130.799170.7179.40000109.1Y384 L778 V783 L787 I807 Y822 L823 V824Y384-V810 PolarHBondContact N-O 3.22Å; Y384-V810 PolarHBondContact O-N 3.1Å; L778-V810 HydrophobicContact CD2-CG1 4.02Å; V783-V810 HydrophobicContact CG1-CB 4.28Å; V783-V810 HydrophobicContact CG1-CG1 4.35Å; V783-V810 HydrophobicContact CG1-CG2 3.88Å; V783-V810 HydrophobicContact CG2-CB 4.41Å; V783-V810 HydrophobicContact CG2-CG1 4.18Å; L787-V810 HydrophobicContact CD1-CG2 4.25Å; L787-V810 HydrophobicContact CD2-CG2 4.45Å; I807-V810 HydrophobicContact CG2-CG2 3.67Å; V810-Y822 HydrophobicContact CG1-CD1 4.07Å; V810-L823 CarbonylContact C-O 3.46Å; V810-L823 WeakPolarHBondContact CA-O 3.08Å; V810-V824 HydrophobicContact CG1-CG2 4.21Å; V810-V824 HydrophobicContact CG2-CG2 4.34Å
811E93.6Very high92Very high6 Ų642.6 Ų42.63%0.02822%0.217CC..EExtended strand (participates in β ladder)trans-9698.4-176.4-52.2178.318000111.4F382 N809 Y822 L823 H1000 K1077F382-E811 CarbonylContact O-C 3.57Å; F382-E811 VanDerWaalsContact O-CA 3.28Å; F382-E811 WeakPolarHBondContact O-CA 3.48Å; N809-E811 WeakPolarHBondContact ND2-CG 3.49Å; N809-E811 PolarHBondContact ND2-OE1 3.32Å; N809-E811 WeakPolarHBondContact OD1-CG 3.47Å; E811-Y822 WeakPolarHBondContact O-CA 3.42Å; E811-L823 HydrophobicContact CB-CB 4.16Å; E811-L823 PolarHBondContact N-O 3.5Å; E811-L823 PolarHBondContact O-N 3.44Å; E811-H1000 IonicContact OE1-CE1 3.36Å; E811-H1000 PolarHBondContact OE1-CE1 2.94Å; E811-H1000 IonicContact OE1-NE2 3.45Å; E811-H1000 PolarHBondContact OE1-NE2 2.91Å; E811-H1000 IonicContact OE2-CD2 3.84Å; E811-H1000 IonicContact OE2-CE1 2.71Å; E811-H1000 IonicContact OE2-NE2 2.97Å; E811-H1000 PolarHBondContact OE2-NE2 2.96Å; E811-K1077 WeakPolarHBondContact OE2-CE 3.47Å; E811-K1077 IonicContact OE2-NZ 3.57Å; E811-K1077 PolarHBondContact OE2-NZ 2.84Å
812K92.3Very high92Very high20 Ų2041 Ų419%0.08721%0.209CC..EExtended strand (participates in β ladder)trans-79.7134.4174.6173.5-170.6-177.8176.70111.7F382 L778 E782 N820 R821 Y822F382-K812 HydrophobicContact CB-CB 4.23Å; F382-K812 PolarHBondContact N-O 3.15Å; F382-K812 PolarHBondContact O-N 3.3Å; L778-K812 HydrophobicContact CD1-CB 4.35Å; L778-K812 HydrophobicContact CD1-CD 3.47Å; L778-K812 VanDerWaalsContact CD1-CD 3.47Å; L778-K812 HydrophobicContact CD2-CB 3.75Å; L778-K812 HydrophobicContact CD2-CD 4.32Å; E782-K812 VanDerWaalsContact OE1-CD 3.26Å; E782-K812 WeakPolarHBondContact OE1-CD 3.42Å; E782-K812 WeakPolarHBondContact OE1-CE 3.35Å; E782-K812 IonicContact OE1-NZ 3.93Å; E782-K812 PolarHBondContact OE1-NZ 2.77Å; E782-K812 IonicContact OE2-NZ 3.81Å; E782-K812 PolarHBondContact OE2-NZ 3.49Å; K812-N820 WeakPolarHBondContact CE-ND2 3.45Å; K812-N820 HydrophobicContact CG-CB 4.48Å; K812-R821 CarbonylContact C-O 3.6Å; K812-R821 WeakPolarHBondContact CA-O 3.48Å; K812-Y822 HydrophobicContact CB-CD1 3.79Å; K812-Y822 HydrophobicContact CB-CE1 3.74Å; K812-Y822 HydrophobicContact CD-CE1 4Å; K812-Y822 HydrophobicContact CG-CD1 4.23Å; K812-Y822 HydrophobicContact CG-CE1 3.74Å
813R89.6Confident91.9Very high7 Ų741 Ų413%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-116.5108.3161-17951.3155.2-109.1-9.2109.8Y362 Y379 L380 R821Y362-R813 HydrophobicContact CE1-CG 4.05Å; Y362-R813 WeakPolarHBondContact OH-CG 3.38Å; Y379-R813 PolarHBondContact O-NH1 3.16Å; Y379-R813 PolarHBondContact O-NH2 3.16Å; L380-R813 PolarHBondContact O-NH1 2.76Å; R813-R821 PolarHBondContact N-O 3.01Å; R813-R821 PolarHBondContact O-N 3.45Å
814R86.6Confident91.8Very high139 Ų13936.7 Ų36.753%0.52518%0.183SC..  trans-64.2139.4-179.6-171.2178.1-176.6162.55.7112.3Y362 F382 S816 N820Y362-R814 WeakPolarHBondContact CE1-O 3.35Å; F382-R814 HydrophobicContact CE2-CB 4.47Å; R814-S816 PolarHBondContact NE-OG 3.23Å; R814-S816 VanDerWaalsContact NE-OG 3.12Å; R814-N820 WeakPolarHBondContact CA-OD1 3.39Å
815D88.1Confident91.8Very high7 Ų733.9 Ų33.94%0.03717%0.168CC..  trans-146.196.2161.9179.1-21.6000107.9P360 T361 Y362 A817 R818 G819 N820P360-D815 VanDerWaalsContact CA-OD2 3.28Å; P360-D815 WeakPolarHBondContact CA-OD2 3.03Å; T361-D815 PolarHBondContact N-OD2 3.34Å; T361-D815 PolarHBondContact OG1-OD1 2.94Å; T361-D815 PolarHBondContact OG1-OD2 3.1Å; T361-D815 VanDerWaalsContact OG1-OD2 3.05Å; Y362-D815 HydrophobicContact CD1-CB 4.44Å; Y362-D815 HydrophobicContact CE1-CB 4.08Å; D815-A817 PolarHBondContact O-N 3.07Å; D815-A817 PolarHBondContact OD1-N 2.81Å; D815-R818 PolarHBondContact O-N 3.26Å; D815-R818 PolarHBondContact OD1-N 3.25Å; D815-R818 VanDerWaalsContact OD1-N 3.12Å; D815-G819 WeakPolarHBondContact CB-O 3.44Å; D815-G819 CarbonylContact O-C 3.02Å; D815-G819 WeakPolarHBondContact O-CA 3.21Å; D815-G819 PolarHBondContact O-N 2.66Å; D815-N820 PolarHBondContact N-OD1 3.02Å; D815-N820 VanDerWaalsContact N-OD1 3.14Å
816S82.3Confident91.9Very high85 Ų8529.8 Ų29.859%0.59415%0.147SC*.THydrogen-bonded Turntrans-65.2-7.1-174.8-50.60000114.3R814R814-S816 PolarHBondContact NE-OG 3.23Å; R814-S816 VanDerWaalsContact NE-OG 3.12Å
817A83Confident92Very high68 Ų6825.7 Ų25.756%0.56213%0.132SC*.THydrogen-bonded Turntrans-110.3-18.4-174.900000114T361 D815T361-A817 HydrophobicContact CG2-CB 3.84Å; D815-A817 PolarHBondContact O-N 3.07Å; D815-A817 PolarHBondContact OD1-N 2.81Å
818R84.9Confident92.1Very high112 Ų11224 Ų2442%0.42312%0.123SC..THydrogen-bonded Turntrans-130.9-17.8177.3-69.9-179179.4177.11.2114.8S359 T361 D815 Y843 L846S359-R818 WeakPolarHBondContact O-CD 3.28Å; S359-R818 PolarHBondContact O-NH1 3.4Å; S359-R818 PolarHBondContact OG-NH1 3.01Å; T361-R818 HydrophobicContact CG2-CG 3.76Å; D815-R818 PolarHBondContact O-N 3.26Å; D815-R818 PolarHBondContact OD1-N 3.25Å; D815-R818 VanDerWaalsContact OD1-N 3.12Å; R818-Y843 WeakPolarHBondContact CB-OH 3.41Å; R818-Y843 PolarHBondContact O-OH 2.85Å; R818-L846 PolarHBondContact O-N 3.04Å
819G88.6Confident92.2Very high1 Ų126.1 Ų26.11%0.0113%0.134CC..EExtended strand (participates in β ladder)trans112159.8-179.300000113.1D815 Y843 L844D815-G819 WeakPolarHBondContact CB-O 3.44Å; D815-G819 CarbonylContact O-C 3.02Å; D815-G819 WeakPolarHBondContact O-CA 3.21Å; D815-G819 PolarHBondContact O-N 2.66Å; G819-Y843 WeakPolarHBondContact O-CE2 3.35Å; G819-Y843 PolarHBondContact O-OH 2.96Å; G819-L844 CarbonylContact C-O 3.19Å; G819-L844 WeakPolarHBondContact CA-O 3.34Å
820N91.6Very high92.3Very high25 Ų2527.5 Ų27.513%0.13414%0.14CC..EExtended strand (participates in β ladder)trans-89146.4-163.2-59-34.8000112.4K812 R814 D815 Y822 Y843 L844K812-N820 WeakPolarHBondContact CE-ND2 3.45Å; K812-N820 HydrophobicContact CG-CB 4.48Å; R814-N820 WeakPolarHBondContact CA-OD1 3.39Å; D815-N820 PolarHBondContact N-OD1 3.02Å; D815-N820 VanDerWaalsContact N-OD1 3.14Å; N820-Y822 HydrophobicContact CB-CE2 3.6Å; N820-Y822 VanDerWaalsContact CB-OH 3.31Å; N820-Y822 WeakPolarHBondContact CB-OH 3.43Å; N820-Y822 PolarHBondContact ND2-OH 2.95Å; N820-Y822 VanDerWaalsContact ND2-OH 3.09Å; N820-Y843 WeakPolarHBondContact O-CD2 3.35Å; N820-L844 PolarHBondContact N-O 3.42Å; N820-L844 VanDerWaalsContact N-O 3.15Å; N820-L844 PolarHBondContact O-N 3.24Å
821R92.7Very high92.2Very high3 Ų335 Ų351%0.01117%0.168CC..EExtended strand (participates in β ladder)trans-98.1141.3165.8-178.2-172.468.4-151.2-1.4109.9Y358 K812 R813 Y841 Y843 L885 Q1075Y358-R821 HydrophobicContact CE2-CB 3.88Å; Y358-R821 HydrophobicContact CE2-CG 4.36Å; Y358-R821 PolarHBondContact OH-NH1 2.72Å; Y358-R821 VanDerWaalsContact OH-NH1 3.09Å; K812-R821 CarbonylContact C-O 3.6Å; K812-R821 WeakPolarHBondContact CA-O 3.48Å; R813-R821 PolarHBondContact N-O 3.01Å; R813-R821 PolarHBondContact O-N 3.45Å; R821-Y841 HydrophobicContact CG-CD1 4.07Å; R821-Y843 HydrophobicContact CB-CD2 4.02Å; R821-Y843 HydrophobicContact CB-CE2 4.47Å; R821-L885 HydrophobicContact CG-CD1 4.29Å; R821-Q1075 VanDerWaalsContact NH2-NE2 3.17Å
822Y95.1Very high92.1Very high0 Ų037.5 Ų37.50%020%0.196CC..EExtended strand (participates in β ladder)trans-120.3142.2169.3-52-96.9000108.5L778 E782 V786 V810 E811 K812 N820 Y841 I842 L844L778-Y822 HydrophobicContact CD2-CE1 4.41Å; E782-Y822 WeakPolarHBondContact OE1-CE1 3.45Å; E782-Y822 PolarHBondContact OE1-OH 3.19Å; V786-Y822 HydrophobicContact CG1-CD2 4.31Å; V786-Y822 HydrophobicContact CG1-CG 4.39Å; V786-Y822 HydrophobicContact CG2-CE1 4.38Å; V786-Y822 HydrophobicContact CG2-CE2 4.19Å; V810-Y822 HydrophobicContact CG1-CD1 4.07Å; E811-Y822 WeakPolarHBondContact O-CA 3.42Å; K812-Y822 HydrophobicContact CB-CD1 3.79Å; K812-Y822 HydrophobicContact CB-CE1 3.74Å; K812-Y822 HydrophobicContact CD-CE1 4Å; K812-Y822 HydrophobicContact CG-CD1 4.23Å; K812-Y822 HydrophobicContact CG-CE1 3.74Å; N820-Y822 HydrophobicContact CB-CE2 3.6Å; N820-Y822 VanDerWaalsContact CB-OH 3.31Å; N820-Y822 WeakPolarHBondContact CB-OH 3.43Å; N820-Y822 PolarHBondContact ND2-OH 2.95Å; N820-Y822 VanDerWaalsContact ND2-OH 3.09Å; Y822-Y841 WeakPolarHBondContact O-CA 3.34Å; Y822-I842 PolarHBondContact N-O 3Å; Y822-I842 PolarHBondContact O-N 2.77Å; Y822-L844 HydrophobicContact CE2-CB 3.77Å; Y822-L844 HydrophobicContact CE2-CD2 4.27Å
823L94.9Very high92.1Very high1 Ų147.2 Ų47.21%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-100.2125.5153.8176.960.2000105.8V810 E811 E825 Y841 K999 H1000V810-L823 CarbonylContact C-O 3.46Å; V810-L823 WeakPolarHBondContact CA-O 3.08Å; E811-L823 HydrophobicContact CB-CB 4.16Å; E811-L823 PolarHBondContact N-O 3.5Å; E811-L823 PolarHBondContact O-N 3.44Å; L823-E825 HydrophobicContact CG-CG 4.41Å; L823-Y841 HydrophobicContact CB-CD1 3.93Å; L823-Y841 HydrophobicContact CB-CE1 3.69Å; L823-Y841 HydrophobicContact CD1-CD1 4.04Å; L823-Y841 HydrophobicContact CD1-CD2 4.23Å; L823-Y841 HydrophobicContact CD1-CE1 4.03Å; L823-Y841 HydrophobicContact CD1-CE2 4.24Å; L823-Y841 HydrophobicContact CD1-CG 4.14Å; L823-Y841 HydrophobicContact CD2-CE1 4.37Å; L823-Y841 HydrophobicContact CG-CE1 4.25Å; L823-K999 HydrophobicContact CD2-CD 3.7Å; L823-K999 HydrophobicContact CD2-CG 4.02Å; L823-H1000 WeakPolarHBondContact CD2-NE2 3.47Å
824V96.1Very high92.4Very high0 Ų048.9 Ų48.90%025%0.245CC..EExtended strand (participates in β ladder)trans-119119.2-172.5164.50000109.2L787 V810 L826 L838 S839 E840 I842L787-V824 HydrophobicContact CD2-CB 4.34Å; L787-V824 HydrophobicContact CD2-CG1 3.43Å; L787-V824 VanDerWaalsContact CD2-CG1 3.43Å; L787-V824 HydrophobicContact CD2-CG2 3.91Å; V810-V824 HydrophobicContact CG1-CG2 4.21Å; V810-V824 HydrophobicContact CG2-CG2 4.34Å; V824-L826 HydrophobicContact CG1-CD1 3.76Å; V824-L826 HydrophobicContact CG1-CD2 3.95Å; V824-L826 HydrophobicContact CG1-CG 3.63Å; V824-L838 HydrophobicContact CG1-CD2 4.49Å; V824-S839 VanDerWaalsContact O-CA 3.31Å; V824-S839 WeakPolarHBondContact O-CA 3.25Å; V824-E840 PolarHBondContact N-O 3.13Å; V824-E840 PolarHBondContact O-N 2.63Å; V824-I842 HydrophobicContact CB-CD1 4.05Å; V824-I842 HydrophobicContact CG1-CD1 4.4Å; V824-I842 HydrophobicContact CG2-CD1 3.96Å
825E96.4Very high92.9Very high4 Ų445.1 Ų45.12%0.01924%0.237CC..EExtended strand (participates in β ladder)trans-120.5119.3178.6-44.5-164.182.900109.9F338 I808 N809 L823 L838 S839 K999F338-E825 HydrophobicContact CE1-CB 3.89Å; F338-E825 HydrophobicContact CE1-CG 4.45Å; F338-E825 WeakPolarHBondContact CE1-OE1 3.5Å; F338-E825 HydrophobicContact CZ-CB 3.82Å; I808-E825 HydrophobicContact CB-CB 4.39Å; I808-E825 WeakPolarHBondContact CB-O 3.45Å; I808-E825 PolarHBondContact N-O 2.91Å; N809-E825 HydrophobicContact CB-CB 3.92Å; N809-E825 HydrophobicContact CB-CG 4Å; N809-E825 PolarHBondContact N-O 2.02Å; N809-E825 VanDerWaalsContact N-O 3.12Å; N809-E825 PolarHBondContact ND2-OE2 2.93Å; N809-E825 PolarHBondContact O-N 2.82Å; L823-E825 HydrophobicContact CG-CG 4.41Å; E825-L838 CarbonylContact C-O 3.34Å; E825-L838 VanDerWaalsContact CA-O 3.23Å; E825-L838 WeakPolarHBondContact CA-O 3.26Å; E825-S839 PolarHBondContact OE1-OG 3.13Å; E825-S839 VanDerWaalsContact OE1-OG 3.07Å; E825-K999 IonicContact OE1-NZ 2.72Å; E825-K999 PolarHBondContact OE1-NZ 3.28Å; E825-K999 IonicContact OE2-NZ 3.24Å; E825-K999 PolarHBondContact OE2-NZ 3.27Å
826L97.8Very high93.3Very high0 Ų045.3 Ų45.30%024%0.239CC..EExtended strand (participates in β ladder)trans-135.4149.5-170.5-52.5173.6000110.9L787 M791 L804 I807 V824 L828 R837 L838L787-L826 HydrophobicContact CD1-CD2 3.8Å; L787-L826 HydrophobicContact CD2-CD1 4.29Å; L787-L826 HydrophobicContact CD2-CD2 4.08Å; M791-L826 HydrophobicContact SD-CD1 4.27Å; L804-L826 HydrophobicContact CD1-CB 4.12Å; L804-L826 HydrophobicContact CD1-CD1 4.34Å; L804-L826 HydrophobicContact CD1-CD2 3.98Å; L804-L826 HydrophobicContact CD1-CG 4.37Å; I807-L826 HydrophobicContact CB-CD2 4.39Å; I807-L826 HydrophobicContact CG1-CD2 4.23Å; I807-L826 HydrophobicContact CG2-CD2 4.2Å; V824-L826 HydrophobicContact CG1-CD1 3.76Å; V824-L826 HydrophobicContact CG1-CD2 3.95Å; V824-L826 HydrophobicContact CG1-CG 3.63Å; L826-L828 HydrophobicContact CB-CD2 4.03Å; L826-L828 HydrophobicContact CB-CG 4.42Å; L826-L828 HydrophobicContact CD1-CD2 4.26Å; L826-R837 WeakPolarHBondContact O-CA 3.13Å; L826-L838 HydrophobicContact CD1-CD2 4.47Å; L826-L838 PolarHBondContact N-O 3.36Å; L826-L838 PolarHBondContact O-N 3.44Å
827E97.6Very high94Very high16 Ų1642.1 Ų42.18%0.07521%0.213CC..EExtended strand (participates in β ladder)trans-101.2131.3159.5-72.8173.6159.700110F338 L805 R806 I808 V835F338-E827 HydrophobicContact CD2-CG 4.27Å; F338-E827 HydrophobicContact CE2-CG 4.13Å; L805-E827 HydrophobicContact CB-CB 4.41Å; L805-E827 WeakPolarHBondContact CB-O 3.43Å; L805-E827 PolarHBondContact N-O 2.63Å; R806-E827 HydrophobicContact CB-CB 4.33Å; R806-E827 IonicContact CZ-OE1 3.79Å; R806-E827 IonicContact CZ-OE2 3.03Å; R806-E827 PolarHBondContact N-O 3.21Å; R806-E827 IonicContact NE-OE2 3.32Å; R806-E827 PolarHBondContact NE-OE2 2.96Å; R806-E827 IonicContact NH2-OE1 2.85Å; R806-E827 PolarHBondContact NH2-OE1 3.19Å; R806-E827 IonicContact NH2-OE2 2.62Å; R806-E827 PolarHBondContact NH2-OE2 3Å; R806-E827 PolarHBondContact O-N 3.21Å; I808-E827 HydrophobicContact CD1-CG 4.02Å; I808-E827 HydrophobicContact CG1-CG 3.98Å; E827-V835 HydrophobicContact CB-CG1 4.41Å
828L97.8Very high94.6Very high0 Ų038.9 Ų38.90%019%0.187CC..EExtended strand (participates in β ladder)trans-123.6139.4-176-53.1179.6000109.8I344 M791 L794 Y802 T803 L804 L826 V835 V836 L838I344-L828 HydrophobicContact CD1-CD1 4.42Å; M791-L828 HydrophobicContact CE-CD2 3.85Å; M791-L828 HydrophobicContact SD-CD2 3.74Å; L794-L828 HydrophobicContact CD2-CD1 3.65Å; Y802-L828 HydrophobicContact CD1-CB 4.36Å; Y802-L828 HydrophobicContact CD1-CD1 4.44Å; Y802-L828 HydrophobicContact CG-CD1 4.43Å; T803-L828 CarbonylContact O-C 3.54Å; T803-L828 WeakPolarHBondContact O-CA 3.35Å; L804-L828 HydrophobicContact CB-CD2 4.39Å; L804-L828 HydrophobicContact CD1-CD2 3.95Å; L826-L828 HydrophobicContact CB-CD2 4.03Å; L826-L828 HydrophobicContact CB-CG 4.42Å; L826-L828 HydrophobicContact CD1-CD2 4.26Å; L828-V835 WeakPolarHBondContact O-CA 3.35Å; L828-V836 HydrophobicContact CB-CG2 4.1Å; L828-V836 PolarHBondContact N-O 2.92Å; L828-V836 PolarHBondContact O-N 3.12Å; L828-L838 HydrophobicContact CD1-CB 4.17Å; L828-L838 HydrophobicContact CD1-CD1 3.92Å
829M97.3Very high95.1Very high47 Ų4733.7 Ų33.723%0.23217%0.168CC..EExtended strand (participates in β ladder)trans-86.1111.3167.1-176.562.177.800109Y802 T803 L805 G832 R833 V835Y802-M829 WeakPolarHBondContact CA-O 3.47Å; T803-M829 PolarHBondContact N-O 2.73Å; T803-M829 PolarHBondContact O-N 2.96Å; L805-M829 HydrophobicContact CD1-CB 3.85Å; L805-M829 HydrophobicContact CD1-CE 4.15Å; L805-M829 HydrophobicContact CD2-CB 3.94Å; L805-M829 HydrophobicContact CD2-CE 4.27Å; L805-M829 HydrophobicContact CG-CB 3.8Å; M829-G832 VanDerWaalsContact SD-C 3.58Å; M829-R833 PolarHBondContact SD-N 3.19Å; M829-R833 VanDerWaalsContact SD-N 3.37Å; M829-V835 HydrophobicContact CE-CG2 4.2Å
830E96.1Very high95.3Very high36 Ų3634.6 Ų34.617%0.16817%0.172CC..EExtended strand (participates in β ladder)trans-82.9122.8170.2-177.3177.1-119.500110.4I801 Y802 G832 R833 S834 V836I801-E830 CarbonylContact O-C 3.54Å; I801-E830 WeakPolarHBondContact O-CA 3.47Å; Y802-E830 HydrophobicContact CD1-CB 3.98Å; Y802-E830 HydrophobicContact CD1-CG 4.26Å; Y802-E830 HydrophobicContact CE1-CB 3.67Å; Y802-E830 HydrophobicContact CE1-CG 3.62Å; Y802-E830 WeakPolarHBondContact CE1-OE1 3.13Å; Y802-E830 PolarHBondContact OH-OE1 2.8Å; E830-G832 PolarHBondContact O-N 2.75Å; E830-R833 PolarHBondContact O-N 3.15Å; E830-S834 PolarHBondContact N-O 2.83Å; E830-S834 PolarHBondContact O-N 2.91Å; E830-S834 VanDerWaalsContact O-N 3.1Å; E830-S834 PolarHBondContact OE2-OG 2.87Å; E830-S834 VanDerWaalsContact OE2-OG 3.05Å; E830-V836 HydrophobicContact CB-CG1 4.48Å; E830-V836 HydrophobicContact CB-CG2 4.38Å
831R93.1Very high95.5Very high157 Ų15733.5 Ų33.559%0.59217%0.166SC*.THydrogen-bonded Turntrans53.421.1173.8-58.4172.4-171-166.64.6114.9I801 R833I801-R831 HydrophobicContact CB-CG 3.96Å; I801-R831 HydrophobicContact CG2-CG 4.2Å; I801-R831 PolarHBondContact O-N 2.81Å; R831-R833 VanDerWaalsContact C-N 3.3Å; R831-R833 PolarHBondContact O-N 2.86Å
832G91.8Very high95.6Very high60 Ų6033.4 Ų33.462%0.61917%0.165SC*.THydrogen-bonded Turntrans68.622.2-173.600000114.5M829 E830M829-G832 VanDerWaalsContact SD-C 3.58Å; E830-G832 PolarHBondContact O-N 2.75Å
833R92.6Very high95.5Very high224 Ų22433.6 Ų33.685%0.84517%0.166SC*.THydrogen-bonded Turntrans-137.2-46.4-173.7-63.2-176.8-174.6-164.8-0.4115M829 E830 R831M829-R833 PolarHBondContact SD-N 3.19Å; M829-R833 VanDerWaalsContact SD-N 3.37Å; E830-R833 PolarHBondContact O-N 3.15Å; R831-R833 VanDerWaalsContact C-N 3.3Å; R831-R833 PolarHBondContact O-N 2.86Å
834S95.5Very high95.4Very high42 Ų4234.6 Ų34.629%0.29417%0.171SC..EExtended strand (participates in β ladder)trans-106127.5-175.413.60000110.2E830E830-S834 PolarHBondContact N-O 2.83Å; E830-S834 PolarHBondContact O-N 2.91Å; E830-S834 VanDerWaalsContact O-N 3.1Å; E830-S834 PolarHBondContact OE2-OG 2.87Å; E830-S834 VanDerWaalsContact OE2-OG 3.05Å
835V97.1Very high94.9Very high60 Ų6037.2 Ų37.236%0.36419%0.185SC..EExtended strand (participates in β ladder)trans-82.3125.3165-176.70000107.9T341 L805 E827 L828 M829T341-V835 HydrophobicContact CG2-CG1 3.97Å; L805-V835 HydrophobicContact CD1-CB 4.44Å; L805-V835 HydrophobicContact CD1-CG1 3.97Å; L805-V835 HydrophobicContact CD1-CG2 3.87Å; E827-V835 HydrophobicContact CB-CG1 4.41Å; L828-V835 WeakPolarHBondContact O-CA 3.35Å; M829-V835 HydrophobicContact CE-CG2 4.2Å
836V97.4Very high94.2Very high11 Ų1141 Ų417%0.06721%0.205CC..EExtended strand (participates in β ladder)trans-128.5151.1176.6-59.50000110.6P342 I344 Y802 L828 E830P342-V836 CarbonylContact O-C 3.5Å; P342-V836 VanDerWaalsContact O-CA 3.23Å; P342-V836 WeakPolarHBondContact O-CA 3.46Å; I344-V836 HydrophobicContact CB-CB 4.45Å; I344-V836 HydrophobicContact CB-CG2 4.21Å; I344-V836 HydrophobicContact CG1-CG2 4.39Å; Y802-V836 HydrophobicContact CD1-CG2 4.4Å; Y802-V836 HydrophobicContact CE1-CG2 4.13Å; L828-V836 HydrophobicContact CB-CG2 4.1Å; L828-V836 PolarHBondContact N-O 2.92Å; L828-V836 PolarHBondContact O-N 3.12Å; E830-V836 HydrophobicContact CB-CG1 4.48Å; E830-V836 HydrophobicContact CB-CG2 4.38Å
837R96Very high92.5Very high17 Ų1745.7 Ų45.76%0.06423%0.227CC..EExtended strand (participates in β ladder)trans-104.5143.8176.469.8-177.5-17998.5-7.7113.3F338 Y339 T341 P342 V343 I344 L826 E995F338-R837 HydrophobicContact CD2-CB 4.22Å; F338-R837 HydrophobicContact CE2-CB 3.43Å; F338-R837 VanDerWaalsContact CE2-CB 3.43Å; F338-R837 HydrophobicContact CE2-CG 4.32Å; F338-R837 HydrophobicContact CZ-CB 3.63Å; F338-R837 HydrophobicContact CZ-CG 4.23Å; F338-R837 WeakPolarHBondContact O-CD 3.44Å; F338-R837 PolarHBondContact O-NE 2.82Å; Y339-R837 PolarHBondContact O-NE 3.13Å; Y339-R837 PolarHBondContact O-NH2 3.23Å; T341-R837 HydrophobicContact CG2-CB 3.87Å; T341-R837 HydrophobicContact CG2-CG 4.32Å; T341-R837 WeakPolarHBondContact O-CD 3.46Å; T341-R837 WeakPolarHBondContact O-CG 3.34Å; T341-R837 PolarHBondContact O-NE 2.84Å; P342-R837 PolarHBondContact O-N 3.34Å; V343-R837 HydrophobicContact CG2-CG 4.25Å; I344-R837 WeakPolarHBondContact CG2-O 3.44Å; I344-R837 PolarHBondContact N-O 3.23Å; L826-R837 WeakPolarHBondContact O-CA 3.13Å; R837-E995 IonicContact CZ-OE1 3.85Å; R837-E995 VanDerWaalsContact CZ-OE1 3.24Å; R837-E995 IonicContact CZ-OE2 3.57Å; R837-E995 IonicContact NH1-OE1 3.55Å; R837-E995 PolarHBondContact NH1-OE1 3.33Å; R837-E995 IonicContact NH1-OE2 2.95Å; R837-E995 PolarHBondContact NH1-OE2 2.96Å; R837-E995 IonicContact NH2-OE1 2.81Å; R837-E995 PolarHBondContact NH2-OE1 2.69Å; R837-E995 IonicContact NH2-OE2 3.29Å; R837-E995 PolarHBondContact NH2-OE2 3.07Å
838L96.1Very high90.4Very high0 Ų056.1 Ų56.10%027%0.265CS..EExtended strand (participates in β ladder)trans-120.6135.5175.1-175.2152.3000108I344 L349 Y790 L794 V824 E825 L826 L828 E840I344-L838 HydrophobicContact CD1-CD1 4.46Å; I344-L838 HydrophobicContact CG2-CB 4.26Å; I344-L838 HydrophobicContact CG2-CG 4.44Å; L349-L838 HydrophobicContact CD2-CD1 3.69Å; L349-L838 HydrophobicContact CD2-CG 4.28Å; Y790-L838 HydrophobicContact CE1-CD1 3.75Å; Y790-L838 HydrophobicContact CE1-CD2 3.89Å; L794-L838 HydrophobicContact CD2-CD1 3.92Å; V824-L838 HydrophobicContact CG1-CD2 4.49Å; E825-L838 CarbonylContact C-O 3.34Å; E825-L838 VanDerWaalsContact CA-O 3.23Å; E825-L838 WeakPolarHBondContact CA-O 3.26Å; L826-L838 HydrophobicContact CD1-CD2 4.47Å; L826-L838 PolarHBondContact N-O 3.36Å; L826-L838 PolarHBondContact O-N 3.44Å; L828-L838 HydrophobicContact CD1-CB 4.17Å; L828-L838 HydrophobicContact CD1-CD1 3.92Å; L838-E840 HydrophobicContact CD2-CB 4.09Å; L838-E840 HydrophobicContact CD2-CG 4.24Å; L838-E840 HydrophobicContact CG-CG 4.49Å
839S95.3Very high87.6Confident3 Ų359.5 Ų59.52%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-146.196.3175.3168.50000109.8V824 E825 W887 R889V824-S839 VanDerWaalsContact O-CA 3.31Å; V824-S839 WeakPolarHBondContact O-CA 3.25Å; E825-S839 PolarHBondContact OE1-OG 3.13Å; E825-S839 VanDerWaalsContact OE1-OG 3.07Å; S839-W887 PolarHBondContact O-NE1 3.3Å; S839-R889 PolarHBondContact O-NH2 3.13Å
840E94.1Very high84.7Confident20 Ų2066.7 Ų66.79%0.09333%0.325CS..EExtended strand (participates in β ladder)trans-137.7148.9-168.9-76-60.7145.200113.4L349 V824 L838 Q881 R889L349-E840 HydrophobicContact CD1-CG 3.9Å; V824-E840 PolarHBondContact N-O 3.13Å; V824-E840 PolarHBondContact O-N 2.63Å; L838-E840 HydrophobicContact CD2-CB 4.09Å; L838-E840 HydrophobicContact CD2-CG 4.24Å; L838-E840 HydrophobicContact CG-CG 4.49Å; E840-Q881 PolarHBondContact OE2-NE2 3.42Å; E840-Q881 VanDerWaalsContact OE2-NE2 3.08Å; E840-R889 IonicContact OE1-CZ 3.58Å; E840-R889 IonicContact OE1-NH1 2.75Å; E840-R889 PolarHBondContact OE1-NH1 3Å; E840-R889 IonicContact OE1-NH2 3.51Å; E840-R889 PolarHBondContact OE1-NH2 2.85Å
841Y94.8Very high81.9Confident3 Ų374.3 Ų74.31%0.01236%0.36CS..EExtended strand (participates in β ladder)trans-84.5131.7172.7-82.3-68.2000111.1R821 Y822 L823 Q881 P882 L885 K999 L1006R821-Y841 HydrophobicContact CG-CD1 4.07Å; Y822-Y841 WeakPolarHBondContact O-CA 3.34Å; L823-Y841 HydrophobicContact CB-CD1 3.93Å; L823-Y841 HydrophobicContact CB-CE1 3.69Å; L823-Y841 HydrophobicContact CD1-CD1 4.04Å; L823-Y841 HydrophobicContact CD1-CD2 4.23Å; L823-Y841 HydrophobicContact CD1-CE1 4.03Å; L823-Y841 HydrophobicContact CD1-CE2 4.24Å; L823-Y841 HydrophobicContact CD1-CG 4.14Å; L823-Y841 HydrophobicContact CD2-CE1 4.37Å; L823-Y841 HydrophobicContact CG-CE1 4.25Å; Y841-Q881 PolarHBondContact O-NE2 2.92Å; Y841-Q881 PolarHBondContact O-OE1 3.15Å; Y841-P882 VanDerWaalsContact O-CD 3.23Å; Y841-P882 WeakPolarHBondContact O-CD 3.21Å; Y841-L885 HydrophobicContact CD1-CD1 4.39Å; Y841-L885 HydrophobicContact CD2-CB 3.98Å; Y841-L885 WeakPolarHBondContact CD2-O 3.42Å; Y841-L885 HydrophobicContact CG-CB 4.15Å; Y841-L885 HydrophobicContact CG-CD1 4.38Å; Y841-K999 WeakPolarHBondContact CE2-O 3.3Å; Y841-K999 PolarHBondContact OH-O 3.03Å; Y841-L1006 HydrophobicContact CE2-CD1 4.47Å
842I94.9Very high79.2Confident0 Ų070.2 Ų70.20%037%0.367CS..EExtended strand (participates in β ladder)trans-125.4143.9178.9-58.5177.4000109.1L353 Y790 Y822 V824 L879L353-I842 HydrophobicContact CD1-CG1 4.28Å; L353-I842 HydrophobicContact CD1-CG2 3.84Å; Y790-I842 HydrophobicContact CD1-CD1 4Å; Y790-I842 HydrophobicContact CD2-CD1 3.45Å; Y790-I842 VanDerWaalsContact CD2-CD1 3.45Å; Y790-I842 HydrophobicContact CD2-CG1 4.32Å; Y790-I842 HydrophobicContact CE1-CD1 4.24Å; Y790-I842 HydrophobicContact CE2-CD1 3.71Å; Y790-I842 HydrophobicContact CE2-CG1 4.29Å; Y790-I842 HydrophobicContact CG-CD1 3.58Å; Y822-I842 PolarHBondContact N-O 3Å; Y822-I842 PolarHBondContact O-N 2.77Å; V824-I842 HydrophobicContact CB-CD1 4.05Å; V824-I842 HydrophobicContact CG1-CD1 4.4Å; V824-I842 HydrophobicContact CG2-CD1 3.96Å; I842-L879 HydrophobicContact CG2-CB 4.48Å; I842-L879 HydrophobicContact CG2-CD2 3.75Å
843Y93.8Very high76.4Confident4 Ų473.7 Ų73.72%0.01637%0.367CS..EExtended strand (participates in β ladder)trans-124125.4177.4-166.4-125.4000111.5Y358 R818 G819 N820 R821 L845 L879 C880Y358-Y843 HydrophobicContact CD2-CD1 4.37Å; Y358-Y843 AromaticContact CD2-CD2 3.71Å; Y358-Y843 HydrophobicContact CD2-CD2 3.71Å; Y358-Y843 HydrophobicContact CD2-CE1 4.37Å; Y358-Y843 AromaticContact CD2-CE2 3.74Å; Y358-Y843 HydrophobicContact CD2-CE2 3.74Å; Y358-Y843 HydrophobicContact CD2-CG 4.07Å; Y358-Y843 AromaticContact CE2-CD2 3.66Å; Y358-Y843 HydrophobicContact CE2-CD2 3.66Å; Y358-Y843 AromaticContact CE2-CE2 3.5Å; Y358-Y843 HydrophobicContact CE2-CE2 3.5Å; Y358-Y843 VanDerWaalsContact CE2-CE2 3.5Å; Y358-Y843 HydrophobicContact CE2-CG 4.47Å; R818-Y843 WeakPolarHBondContact CB-OH 3.41Å; R818-Y843 PolarHBondContact O-OH 2.85Å; G819-Y843 WeakPolarHBondContact O-CE2 3.35Å; G819-Y843 PolarHBondContact O-OH 2.96Å; N820-Y843 WeakPolarHBondContact O-CD2 3.35Å; R821-Y843 HydrophobicContact CB-CD2 4.02Å; R821-Y843 HydrophobicContact CB-CE2 4.47Å; Y843-L845 HydrophobicContact CD1-CD1 4.48Å; Y843-L845 HydrophobicContact CE1-CB 4.5Å; Y843-L845 HydrophobicContact CE1-CD1 3.81Å; Y843-L879 CarbonylContact O-C 3.56Å; Y843-L879 WeakPolarHBondContact O-CA 3.32Å; Y843-C880 PolarHBondContact N-O 3.2Å; Y843-C880 PolarHBondContact O-N 3.31Å; Y843-C880 PolarHBondContact O-SG 3.33Å
844L91.7Very high73.5Confident23 Ų2372.3 Ų72.312%0.1237%0.37CS..EExtended strand (participates in β ladder)trans-9896.3176.7-177.772000108.6V786 G819 N820 Y822 P877 L879V786-L844 HydrophobicContact CG2-CD2 4.46Å; G819-L844 CarbonylContact C-O 3.19Å; G819-L844 WeakPolarHBondContact CA-O 3.34Å; N820-L844 PolarHBondContact N-O 3.42Å; N820-L844 VanDerWaalsContact N-O 3.15Å; N820-L844 PolarHBondContact O-N 3.24Å; Y822-L844 HydrophobicContact CE2-CB 3.77Å; Y822-L844 HydrophobicContact CE2-CD2 4.27Å; L844-P877 HydrophobicContact CD1-CB 3.55Å; L844-P877 HydrophobicContact CG-CB 4.16Å; L844-L879 HydrophobicContact CB-CD2 3.95Å; L844-L879 HydrophobicContact CD1-CD2 3.51Å; L844-L879 HydrophobicContact CD1-CG 4.1Å; L844-L879 HydrophobicContact CG-CD2 4.34Å
845L86.1Confident70.7Confident54 Ų5476.1 Ų76.128%0.28339%0.393SS..EExtended strand (participates in β ladder)trans-78.3125.1-174.5-176.171.6000111.6Y843 H847 L878Y843-L845 HydrophobicContact CD1-CD1 4.48Å; Y843-L845 HydrophobicContact CE1-CB 4.5Å; Y843-L845 HydrophobicContact CE1-CD1 3.81Å; L845-H847 PolarHBondContact O-N 3.17Å; L845-L878 PolarHBondContact N-O 2.02Å; L845-L878 PolarHBondContact O-N 2.71Å
846L80.9Confident67.5Low83 Ų8378 Ų7844%0.43541%0.409SS..  trans-81.5112.5169.5-69.3173.7000109.8R818 R848R818-L846 PolarHBondContact O-N 3.04Å; L846-R848 PolarHBondContact O-N 2.97Å; L846-R848 VanDerWaalsContact O-N 3.08Å
847H62.1Low64.7Low100 Ų10084 Ų8446%0.46345%0.448SS..  trans-70.7101.7177.3-89.183.4000111.4L845 G849 A875L845-H847 PolarHBondContact O-N 3.17Å; H847-G849 PolarHBondContact O-N 3.2Å; H847-A875 HydrophobicContact CB-CB 3.74Å
848R53.3Low61.8Low235 Ų23587.8 Ų87.889%0.88748%0.478SS*.  trans-79.7115.9167.8-158.7176.2-164.6-173.64.9109.4L846 R850L846-R848 PolarHBondContact O-N 2.97Å; L846-R848 VanDerWaalsContact O-N 3.08Å; R848-R850 PolarHBondContact O-N 3.11Å
849G40.1Very low58.7Low71 Ų7194.4 Ų94.473%0.73252%0.518SS*.  trans-54.7127.6178.500000112.2H847 Q851H847-G849 PolarHBondContact O-N 3.2Å; G849-Q851 PolarHBondContact O-N 2.95Å
850R35.9Very low56Low198 Ų198106 Ų10675%0.74756%0.561SS**  trans-80.672.2-170.7-168.4-177.6-175.4175-1.2112.2R848 E853R848-R850 PolarHBondContact O-N 3.11Å; R850-E853 IonicContact CZ-OE1 3.27Å; R850-E853 IonicContact CZ-OE2 2.68Å; R850-E853 IonicContact NE-OE1 3.78Å; R850-E853 PolarHBondContact NE-OE1 2.96Å; R850-E853 IonicContact NE-OE2 3.54Å; R850-E853 IonicContact NH2-OE1 2.91Å; R850-E853 PolarHBondContact NH2-OE1 2.68Å; R850-E853 IonicContact NH2-OE2 3.48Å; R850-E853 PolarHBondContact NH2-OE2 3.43Å
851Q37.9Very low53Low195 Ų195110 Ų11091%0.91159%0.592SS**  trans-77.6129.2154.8-77.9-169.7-10.400108.9G849G849-Q851 PolarHBondContact O-N 2.95Å
852G35.9Very low50.2Low71 Ų71115.3 Ų115.373%0.73263%0.63SS**  trans139.315.3171.200000118.7
853E32.9Very low47.2Very low134 Ų134121.6 Ų121.663%0.62667%0.668SS**  trans-123.4120.2169-86.9162-130.900110.3R850 P855R850-E853 IonicContact CZ-OE1 3.27Å; R850-E853 IonicContact CZ-OE2 2.68Å; R850-E853 IonicContact NE-OE1 3.78Å; R850-E853 PolarHBondContact NE-OE1 2.96Å; R850-E853 IonicContact NE-OE2 3.54Å; R850-E853 IonicContact NH2-OE1 2.91Å; R850-E853 PolarHBondContact NH2-OE1 2.68Å; R850-E853 IonicContact NH2-OE2 3.48Å; R850-E853 PolarHBondContact NH2-OE2 3.43Å; E853-P855 WeakPolarHBondContact O-CD 3.3Å
854H32.5Very low44.2Very low195 Ų195133 Ų13390%0.90371%0.711SS**PPolyproline II helixtrans-85.9122179.9-78.4-89000111.2
855P35.9Very low41.6Very low121 Ų121137.9 Ų137.979%0.78674%0.744SS**PPolyproline II helixtrans-76.9142.9165.4-11.829.4000111.2E853E853-P855 WeakPolarHBondContact O-CD 3.3Å
856S30.9Very low39.3Very low100 Ų100139.2 Ų139.270%0.69977%0.77SS**PPolyproline II helixtrans-72.1146.617450.80000112.6S858S856-S858 PolarHBondContact O-N 3.25Å; S856-S858 VanDerWaalsContact O-N 3.08Å
857P38.2Very low36.9Very low136 Ų136139.9 Ų139.988%0.88379%0.788SS**  trans-84.386.1-168.933.6-36.8000113.9
858S34.3Very low35.7Very low98 Ų98141.4 Ų141.469%0.68581%0.805SS**  trans-156.697.7165.359.90000114.5S856S856-S858 PolarHBondContact O-N 3.25Å; S856-S858 VanDerWaalsContact O-N 3.08Å
859T32.2Very low35Very low139 Ų139136 Ų13685%0.85380%0.8SS**  169.4141.3118.5-64.50000109.3
860R38.1Very low34.7Very low245 Ų245144.4 Ų144.493%0.92581%0.81SS**  trans-89.5129.8176.4-77.4177167.1173.2-5.4111.5
861S31.6Very low34.5Very low104 Ų104139.8 Ų139.873%0.72781%0.808SS**  trans-156.2123.3154.757.90000112.7
862S35.2Very low34.5Very low116 Ų116136.7 Ų136.781%0.81180%0.803SS**  trans32113.7153.757.40000120.3
863V31.7Very low34.7Very low132 Ų132137 Ų13780%0.880%0.799SS**  trans-71.4144.6163.71750000111.2
864R30.9Very low35.1Very low243 Ų243141.5 Ų141.592%0.91781%0.811SS**  trans-118.9120.4148.6-81.4-172.3172.7-167.6-1.9108.2
865P37.7Very low36.1Very low125 Ų125135 Ų13581%0.81279%0.791SS**  trans-83.8125.5173.332.5-29000109.4
866G37.9Very low37.1Very low82 Ų82138.2 Ų138.285%0.84579%0.793SS**  trans171.141.4-174.100000116.5
867A30.6Very low38.9Very low98 Ų98136.6 Ų136.681%0.8178%0.78SS**  trans-157.1136.4166.700000110.2
868T35.1Very low41Very low131 Ų131133.7 Ų133.780%0.80476%0.757SS**  trans-80.4135.7176.436.90000111.4W870T868-W870 PolarHBondContact O-N 3.39Å
869P40.2Very low43.8Very low123 Ų123129.5 Ų129.580%0.79973%0.727SS**SBendtrans-84.645.5-174.535.9-37.6000113.7
870W34Very low46.7Very low246 Ų246123 Ų12393%0.93269%0.687SS**  trans-13560.1174.7-101.9-54.5000113.3T868T868-W870 PolarHBondContact O-N 3.39Å
871S31.4Very low49.3Very low101 Ų101112.8 Ų112.871%0.70665%0.65SS**  trans-145.784.2154.5-168.40000110.4A873S871-A873 PolarHBondContact O-N 3.16Å
872T37Very low52.2Low131 Ų131107.8 Ų107.880%0.80462%0.615SS**  trans-69.979.1156440000107.7Y874T872-Y874 PolarHBondContact O-N 3.32Å
873A39.6Very low54.7Low78 Ų78105.5 Ų105.565%0.64560%0.596SS**  trans-55.8115.7178.500000109.5S871 A875S871-A873 PolarHBondContact O-N 3.16Å; A873-A875 VanDerWaalsContact C-N 3.34Å; A873-A875 PolarHBondContact O-N 2.84Å
874Y42.4Very low57.3Low227 Ų227101.5 Ų101.589%0.8957%0.569SS**  trans-61.5100.7165.8-73.5-86.4000107.2T872 K876T872-Y874 PolarHBondContact O-N 3.32Å; Y874-K876 PolarHBondContact O-N 3.34Å
875A53.5Low60.1Low59 Ų5990 Ų9049%0.48853%0.526SS..PPolyproline II helixtrans-56.6124.3-179.900000108.8H847 A873H847-A875 HydrophobicContact CB-CB 3.74Å; A873-A875 VanDerWaalsContact C-N 3.34Å; A873-A875 PolarHBondContact O-N 2.84Å
876K57Low62.4Low188 Ų18890 Ų9082%0.81752%0.515SS*.PPolyproline II helixtrans-51.5137.7-174.6-73.2-170174.4-171.50110.2Y874 L878Y874-K876 PolarHBondContact O-N 3.34Å; K876-L878 PolarHBondContact O-N 3.43Å
877P67.6Low64.9Low67 Ų6787 Ų8744%0.43548%0.478SS..PPolyproline II helixtrans-51.8138173.3-26.535.5000110.9L844L844-P877 HydrophobicContact CD1-CB 3.55Å; L844-P877 HydrophobicContact CG-CB 4.16Å
878L82.7Confident67.7Low74 Ų7487.5 Ų87.539%0.38746%0.459SS..EExtended strand (participates in β ladder)trans-111.7118.3-178-179.665.6000110.1P354 L845 K876P354-L878 HydrophobicContact CG-CD1 4.45Å; L845-L878 PolarHBondContact N-O 2.02Å; L845-L878 PolarHBondContact O-N 2.71Å; K876-L878 PolarHBondContact O-N 3.43Å
879L92.7Very high70.3Confident10 Ų1083.9 Ų83.95%0.05243%0.43CS..EExtended strand (participates in β ladder)trans-74.6133.4165.9-67.3-179.2000110.4L353 V786 Q789 I842 Y843 L844L353-L879 HydrophobicContact CD1-CB 4.3Å; L353-L879 HydrophobicContact CD2-CB 3.99Å; V786-L879 HydrophobicContact CG1-CD2 4.17Å; V786-L879 WeakPolarHBondContact O-CD1 3.14Å; Q789-L879 HydrophobicContact CB-CD1 3.49Å; Q789-L879 VanDerWaalsContact CB-CD1 3.49Å; I842-L879 HydrophobicContact CG2-CB 4.48Å; I842-L879 HydrophobicContact CG2-CD2 3.75Å; Y843-L879 CarbonylContact O-C 3.56Å; Y843-L879 WeakPolarHBondContact O-CA 3.32Å; L844-L879 HydrophobicContact CB-CD2 3.95Å; L844-L879 HydrophobicContact CD1-CD2 3.51Å; L844-L879 HydrophobicContact CD1-CG 4.1Å; L844-L879 HydrophobicContact CG-CD2 4.34Å
880C92.9Very high72.7Confident2 Ų284 Ų841%0.01442%0.424CS..EExtended strand (participates in β ladder)trans-147.3154.5-178.968.30000111.6P354 C356 Y843 P882P354-C880 HydrophobicContact CG-CB 4.14Å; P354-C880 CarbonylContact O-C 3.49Å; P354-C880 VanDerWaalsContact O-CA 3.26Å; P354-C880 WeakPolarHBondContact O-CA 3.23Å; P354-C880 VanDerWaalsContact O-CB 3.24Å; P354-C880 WeakPolarHBondContact O-CB 3.39Å; C356-C880 HydrophobicContact CB-CB 3.56Å; C356-C880 WeakPolarHBondContact CB-SG 3.31Å; C356-C880 WeakPolarHBondContact SG-CB 3.07Å; C356-C880 CovalentContact SG-SG 2.03Å; C356-C880 PolarHBondContact SG-SG 2.95Å; Y843-C880 PolarHBondContact N-O 3.2Å; Y843-C880 PolarHBondContact O-N 3.31Å; Y843-C880 PolarHBondContact O-SG 3.33Å; C880-P882 WeakPolarHBondContact O-CD 3.21Å
881Q93.7Very high75.6Confident31 Ų3172.4 Ų72.415%0.14538%0.381CS..EExtended strand (participates in β ladder)trans-83.1116.3176.6-165.6749.900109.7L353 P354 C356 E840 Y841 V883L353-Q881 HydrophobicContact CB-CB 4.21Å; P354-Q881 PolarHBondContact O-N 3.31Å; C356-Q881 PolarHBondContact N-O 3.05Å; C356-Q881 PolarHBondContact SG-O 2.8Å; E840-Q881 PolarHBondContact OE2-NE2 3.42Å; E840-Q881 VanDerWaalsContact OE2-NE2 3.08Å; Y841-Q881 PolarHBondContact O-NE2 2.92Å; Y841-Q881 PolarHBondContact O-OE1 3.15Å; Q881-V883 PolarHBondContact O-N 2.89Å
882P93Very high78.8Confident0 Ų069.4 Ų69.40%036%0.356CS..EExtended strand (participates in β ladder)trans-73.791175.830.4-32.6000109.9Y358 Y841 C880 M884 L885Y358-P882 HydrophobicContact CD2-CB 4.46Å; Y358-P882 HydrophobicContact CG-CB 4.33Å; Y841-P882 VanDerWaalsContact O-CD 3.23Å; Y841-P882 WeakPolarHBondContact O-CD 3.21Å; C880-P882 WeakPolarHBondContact O-CD 3.21Å; P882-M884 PolarHBondContact O-N 2.82Å; P882-L885 HydrophobicContact CB-CB 4.28Å; P882-L885 HydrophobicContact CB-CD1 4.05Å; P882-L885 HydrophobicContact CB-CG 4.2Å; P882-L885 HydrophobicContact CG-CB 4.16Å; P882-L885 HydrophobicContact CG-CD1 4.06Å; P882-L885 HydrophobicContact CG-CG 4.45Å; P882-L885 PolarHBondContact O-N 2.7Å
883V87.1Confident81.7Confident68 Ų6863.2 Ų63.241%0.41232%0.318SS..G310 helixtrans-52.8-36.4-172.5-173.90000112.6A355 C356 Q881 L885 Q886A355-V883 HydrophobicContact CB-CG2 3.58Å; C356-V883 PolarHBondContact O-N 3.41Å; Q881-V883 PolarHBondContact O-N 2.89Å; V883-L885 PolarHBondContact O-N 3.17Å; V883-Q886 PolarHBondContact O-N 2.74Å
884M86Confident84.5Confident48 Ų4860.6 Ų60.624%0.23629%0.293CS..G310 helixtrans-77.98.3-179.7-56.3-177.2-61.500113.9L357 Y358 P882 R1005L357-M884 HydrophobicContact CB-CE 4.36Å; L357-M884 HydrophobicContact CD2-CE 3.63Å; L357-M884 HydrophobicContact CD2-SD 3.8Å; Y358-M884 WeakPolarHBondContact O-CE 3.5Å; P882-M884 PolarHBondContact O-N 2.82Å; M884-R1005 WeakPolarHBondContact O-CG 3.41Å; M884-R1005 PolarHBondContact SD-NH1 2.99Å; M884-R1005 VanDerWaalsContact SD-NH1 3.35Å; M884-R1005 PolarHBondContact SD-NH2 3.47Å
885L89.8Confident87.2Confident2 Ų249.8 Ų49.81%0.0125%0.25CS..G310 helixtrans-120.415.6174.5-62.3-176000113.1Y358 R821 Y841 P882 V883 W887 R1005 L1006Y358-L885 HydrophobicContact CD1-CD1 3.62Å; Y358-L885 HydrophobicContact CD1-CD2 4Å; Y358-L885 HydrophobicContact CD1-CG 3.89Å; Y358-L885 HydrophobicContact CD2-CD1 4.35Å; Y358-L885 HydrophobicContact CE1-CD1 3.77Å; Y358-L885 HydrophobicContact CE1-CD2 4.3Å; Y358-L885 HydrophobicContact CE1-CG 4.4Å; Y358-L885 HydrophobicContact CE2-CD1 4.49Å; Y358-L885 HydrophobicContact CG-CD1 3.91Å; Y358-L885 HydrophobicContact CG-CG 4.27Å; R821-L885 HydrophobicContact CG-CD1 4.29Å; Y841-L885 HydrophobicContact CD1-CD1 4.39Å; Y841-L885 HydrophobicContact CD2-CB 3.98Å; Y841-L885 WeakPolarHBondContact CD2-O 3.42Å; Y841-L885 HydrophobicContact CG-CB 4.15Å; Y841-L885 HydrophobicContact CG-CD1 4.38Å; P882-L885 HydrophobicContact CB-CB 4.28Å; P882-L885 HydrophobicContact CB-CD1 4.05Å; P882-L885 HydrophobicContact CB-CG 4.2Å; P882-L885 HydrophobicContact CG-CB 4.16Å; P882-L885 HydrophobicContact CG-CD1 4.06Å; P882-L885 HydrophobicContact CG-CG 4.45Å; P882-L885 PolarHBondContact O-N 2.7Å; V883-L885 PolarHBondContact O-N 3.17Å; L885-W887 PolarHBondContact O-N 2.81Å; L885-R1005 HydrophobicContact CD2-CB 4.36Å; L885-L1006 HydrophobicContact CD2-CD1 3.93Å; L885-L1006 HydrophobicContact CD2-CD2 4.49Å; L885-L1006 HydrophobicContact CD2-CG 4.01Å
886Q86.5Confident89.3Confident125 Ų12547 Ų4758%0.58423%0.227SC*.  trans-62.8119.1170.7-72.2179.5-19.200109.8V883V883-Q886 PolarHBondContact O-N 2.74Å
887W90.1Very high91.2Very high17 Ų1738.1 Ų38.16%0.06419%0.188CC..  trans-96.4157.2177.266.6-79.2000110.4S839 L885 R889 E995 R998 K999 V1002S839-W887 PolarHBondContact O-NE1 3.3Å; L885-W887 PolarHBondContact O-N 2.81Å; W887-R889 HydrophobicContact CE3-CG 3.97Å; W887-R889 HydrophobicContact CH2-CG 3.54Å; W887-R889 HydrophobicContact CZ2-CG 4.09Å; W887-R889 HydrophobicContact CZ3-CB 4.3Å; W887-R889 HydrophobicContact CZ3-CG 3.46Å; W887-R889 VanDerWaalsContact CZ3-CG 3.46Å; W887-E995 HydrophobicContact CH2-CG 4.12Å; W887-E995 HydrophobicContact CZ3-CG 4.4Å; W887-R998 HydrophobicContact CE3-CB 4.19Å; W887-R998 HydrophobicContact CZ3-CB 4.19Å; W887-K999 HydrophobicContact CD2-CB 4.09Å; W887-K999 HydrophobicContact CE3-CB 4.07Å; W887-K999 HydrophobicContact CH2-CB 4.21Å; W887-K999 HydrophobicContact CZ2-CB 4.25Å; W887-K999 HydrophobicContact CZ3-CB 4.12Å; W887-V1002 HydrophobicContact CB-CG2 4.26Å
888R90.3Very high92.5Very high109 Ų10935.4 Ų35.441%0.41117%0.171SC..  trans-109.8128.8-178.3-73.9-172.9-73.5140.1-4.9109.5V891 H977 E1003R888-V891 HydrophobicContact CB-CG2 3.27Å; R888-V891 HydrophobicContact CG-CG2 4.35Å; R888-H977 PolarHBondContact NH1-O 3.26Å; R888-H977 PolarHBondContact NH2-O 3.46Å; R888-E1003 IonicContact NH2-OE2 3.74Å
889R88.6Confident93Very high55 Ų5532 Ų3221%0.20815%0.154CC..THydrogen-bonded Turntrans-78.7-27.3-171.5-75.1168.2178.7111.96.4113.7S839 E840 W887 R998S839-R889 PolarHBondContact O-NH2 3.13Å; E840-R889 IonicContact OE1-CZ 3.58Å; E840-R889 IonicContact OE1-NH1 2.75Å; E840-R889 PolarHBondContact OE1-NH1 3Å; E840-R889 IonicContact OE1-NH2 3.51Å; E840-R889 PolarHBondContact OE1-NH2 2.85Å; W887-R889 HydrophobicContact CE3-CG 3.97Å; W887-R889 HydrophobicContact CH2-CG 3.54Å; W887-R889 HydrophobicContact CZ2-CG 4.09Å; W887-R889 HydrophobicContact CZ3-CB 4.3Å; W887-R889 HydrophobicContact CZ3-CG 3.46Å; W887-R889 VanDerWaalsContact CZ3-CG 3.46Å; R889-R998 WeakPolarHBondContact O-CD 3.26Å; R889-R998 PolarHBondContact O-NE 3.09Å; R889-R998 PolarHBondContact O-NH1 3.43Å
890D90.4Very high92.9Very high125 Ų12533.1 Ų33.167%0.66816%0.158SC*.THydrogen-bonded Turntrans-112.231.3-169.9-40.3-70.8000113
891V96.2Very high92.7Very high4 Ų434.8 Ų34.82%0.02417%0.167CC..  trans-84134.3-177.6-177.40000111.2R888 V893 I979 R998 Y1039R888-V891 HydrophobicContact CB-CG2 3.27Å; R888-V891 HydrophobicContact CG-CG2 4.35Å; V891-V893 PolarHBondContact O-N 3.03Å; V891-I979 HydrophobicContact CB-CD1 4.2Å; V891-I979 HydrophobicContact CG1-CD1 3.92Å; V891-I979 HydrophobicContact CG1-CG1 3.91Å; V891-R998 PolarHBondContact O-NE 3.33Å; V891-Y1039 HydrophobicContact CG1-CE1 4.05Å
892M97.8Very high92.4Very high38 Ų3833.7 Ų33.719%0.18716%0.162CC..  trans-57.5122.9172-170.359.155.300111.2H894 N924 F925 K950 S978 I979M892-H894 WeakPolarHBondContact CG-CE1 3.23Å; M892-H894 WeakPolarHBondContact CG-NE2 3.07Å; M892-N924 WeakPolarHBondContact CA-O 3.47Å; M892-N924 VanDerWaalsContact SD-C 3.58Å; M892-F925 VanDerWaalsContact SD-C 3.54Å; M892-F925 VanDerWaalsContact SD-CA 3.59Å; M892-K950 HydrophobicContact CE-CD 3.77Å; M892-K950 HydrophobicContact SD-CD 4.11Å; M892-S978 WeakPolarHBondContact O-CB 3.21Å; M892-I979 PolarHBondContact O-N 3.27Å
893V98.4Very high92.3Very high0 Ų033.8 Ų33.80%016%0.162CC..EExtended strand (participates in β ladder)trans-105.3116.4173.3-178.90000109.5V891 F895 N924 F925 S926 I979 F981 L994 I997 R998V891-V893 PolarHBondContact O-N 3.03Å; V893-F895 HydrophobicContact CB-CE2 4.49Å; V893-F895 HydrophobicContact CG1-CD2 4.2Å; V893-F895 HydrophobicContact CG1-CE2 3.77Å; V893-F895 HydrophobicContact CG1-CZ 4.27Å; V893-N924 PolarHBondContact N-O 2.89Å; V893-F925 HydrophobicContact CB-CB 4.26Å; V893-F925 CarbonylContact O-C 3.53Å; V893-F925 WeakPolarHBondContact O-CA 3.49Å; V893-F925 WeakPolarHBondContact O-CB 2.97Å; V893-S926 PolarHBondContact O-N 3.4Å; V893-I979 CarbonylContact C-O 3.54Å; V893-I979 WeakPolarHBondContact CA-O 2.98Å; V893-I979 HydrophobicContact CG2-CB 4.49Å; V893-F981 HydrophobicContact CG1-CB 4.23Å; V893-L994 HydrophobicContact CB-CD2 4.34Å; V893-I997 HydrophobicContact CG1-CD1 3.96Å; V893-I997 HydrophobicContact CG1-CG2 3.97Å; V893-I997 HydrophobicContact CG2-CG2 4.1Å; V893-R998 HydrophobicContact CG2-CG 3.95Å
894H98.6Very high92.4Very high24 Ų2430.9 Ų30.911%0.11114%0.144CC..EExtended strand (participates in β ladder)trans-99109.5177.7-55.6-85.3000110.2M892 S926 I928 I973 S978 I979 F981M892-H894 WeakPolarHBondContact CG-CE1 3.23Å; M892-H894 WeakPolarHBondContact CG-NE2 3.07Å; H894-S926 WeakPolarHBondContact CA-O 3.26Å; H894-S926 PolarHBondContact ND1-OG 2.62Å; H894-I928 HydrophobicContact CB-CD1 4.11Å; H894-I973 HydrophobicContact CB-CD1 3.59Å; H894-I973 HydrophobicContact CB-CG1 4.36Å; H894-S978 PolarHBondContact CD2-OG 3.26Å; H894-S978 VanDerWaalsContact NE2-CB 3.3Å; H894-S978 WeakPolarHBondContact NE2-CB 3.26Å; H894-S978 PolarHBondContact NE2-OG 3.19Å; H894-I979 PolarHBondContact N-O 2.96Å; H894-F981 PolarHBondContact O-N 2.77Å
895F98.4Very high92.7Very high0 Ų029.7 Ų29.70%014%0.137CC..EExtended strand (participates in β ladder)trans-79.4123.2170.2-67.8-101.8000108.8V893 F909 M913 F925 S926 I927 I928 F981 F989 I993 L994 I997V893-F895 HydrophobicContact CB-CE2 4.49Å; V893-F895 HydrophobicContact CG1-CD2 4.2Å; V893-F895 HydrophobicContact CG1-CE2 3.77Å; V893-F895 HydrophobicContact CG1-CZ 4.27Å; F895-F909 HydrophobicContact CB-CZ 4.36Å; F895-M913 HydrophobicContact CD1-CE 3.67Å; F895-M913 HydrophobicContact CD2-CE 4.39Å; F895-M913 HydrophobicContact CE1-CE 3.77Å; F895-M913 HydrophobicContact CE2-CE 4.47Å; F895-M913 HydrophobicContact CG-CE 4.01Å; F895-M913 HydrophobicContact CZ-CE 4.18Å; F895-F925 HydrophobicContact CD2-CD2 4.23Å; F895-F925 HydrophobicContact CE2-CB 4.4Å; F895-F925 HydrophobicContact CE2-CD2 4.16Å; F895-S926 PolarHBondContact N-O 3.26Å; F895-I927 HydrophobicContact CB-CG2 4.29Å; F895-I928 PolarHBondContact O-N 2.74Å; F895-F981 WeakPolarHBondContact CA-O 3.39Å; F895-F981 HydrophobicContact CD1-CB 4.45Å; F895-F981 AromaticContact CD1-CD1 3.64Å; F895-F981 HydrophobicContact CD1-CD1 3.64Å; F895-F981 HydrophobicContact CD1-CE1 4.37Å; F895-F981 HydrophobicContact CD1-CG 4.41Å; F895-F981 AromaticContact CE1-CD1 3.71Å; F895-F981 HydrophobicContact CE1-CD1 3.71Å; F895-F981 HydrophobicContact CE1-CE1 4.19Å; F895-F981 HydrophobicContact CE1-CG 4.38Å; F895-F989 HydrophobicContact CD1-CE1 4.3Å; F895-F989 HydrophobicContact CD1-CZ 4.27Å; F895-F989 HydrophobicContact CE1-CD1 4.2Å; F895-F989 AromaticContact CE1-CE1 3.83Å; F895-F989 HydrophobicContact CE1-CE1 3.83Å; F895-F989 HydrophobicContact CE1-CZ 4.26Å; F895-I993 HydrophobicContact CZ-CG2 4.42Å; F895-L994 HydrophobicContact CE2-CD2 3.59Å; F895-L994 HydrophobicContact CZ-CD2 3.85Å; F895-I997 HydrophobicContact CE1-CD1 4.14Å; F895-I997 HydrophobicContact CZ-CD1 3.88Å
896V98.2Very high92.9Very high0 Ų029.7 Ų29.70%014%0.136CC..EExtended strand (participates in β ladder)trans-116.2118.9-176.8-171.70000109.9I928 L966 V970 I973 V980 F981 L982 C983V896-I928 HydrophobicContact CG2-CB 4.37Å; V896-I928 HydrophobicContact CG2-CD1 4.38Å; V896-L966 HydrophobicContact CB-CD2 4.46Å; V896-L966 HydrophobicContact CG1-CD2 4.24Å; V896-L966 WeakPolarHBondContact O-CD2 3.18Å; V896-V970 HydrophobicContact CG2-CG2 4.09Å; V896-I973 HydrophobicContact CG2-CD1 4.42Å; V896-V980 HydrophobicContact CG2-CG1 4.14Å; V896-F981 PolarHBondContact N-O 3.19Å; V896-L982 HydrophobicContact CB-CD2 4.45Å; V896-C983 PolarHBondContact O-N 3.07Å
897V96.1Very high93.2Very high1 Ų125.4 Ų25.41%0.00612%0.116CC..EExtended strand (participates in β ladder)trans-134.2118.6-175-170.60000111.5V899 F909 I928 I929 V930 C983 L985V897-V899 HydrophobicContact CG1-CG1 4.04Å; V897-F909 HydrophobicContact CG2-CE1 4.42Å; V897-F909 HydrophobicContact CG2-CE2 3.97Å; V897-F909 HydrophobicContact CG2-CZ 3.79Å; V897-I928 PolarHBondContact N-O 2.71Å; V897-I929 WeakPolarHBondContact O-CA 3.45Å; V897-V930 PolarHBondContact O-N 2.71Å; V897-C983 VanDerWaalsContact CG2-SG 3.54Å; V897-L985 HydrophobicContact CG1-CB 3.86Å; V897-L985 HydrophobicContact CG1-CD1 3.77Å; V897-L985 HydrophobicContact CG1-CG 4.41Å
898P94.4Very high93.2Very high11 Ų1126.1 Ų26.17%0.07112%0.12CC..EExtended strand (participates in β ladder)trans-83140.8169.633.9-33.6000111.1V930 F932 F960 R962 L966P898-V930 CarbonylContact C-O 3.48Å; P898-V930 VanDerWaalsContact CA-O 3.3Å; P898-V930 WeakPolarHBondContact CA-O 3.45Å; P898-F932 HydrophobicContact CB-CE2 4.05Å; P898-F960 HydrophobicContact CB-CE2 3.86Å; P898-F960 HydrophobicContact CB-CZ 4.03Å; P898-F960 HydrophobicContact CG-CE2 4.31Å; P898-F960 HydrophobicContact CG-CZ 4.01Å; P898-R962 HydrophobicContact CG-CG 4.11Å; P898-L966 HydrophobicContact CG-CD2 4.35Å; P898-L966 HydrophobicContact CG-CG 4.19Å
899V93.3Very high93.5Very high3 Ų321 Ų212%0.01810%0.102CC..EExtended strand (participates in β ladder)trans-139153.7-175.9-52.50000112.5V897 V906 I929 V930 D931 F932 L985V897-V899 HydrophobicContact CG1-CG1 4.04Å; V899-V906 HydrophobicContact CB-CG2 4.13Å; V899-V906 HydrophobicContact CG1-CG2 3.87Å; V899-V906 HydrophobicContact CG2-CG2 4.37Å; V899-I929 HydrophobicContact CB-CG2 4.48Å; V899-I929 HydrophobicContact CG1-CG2 4Å; V899-I929 HydrophobicContact CG2-CG2 3.59Å; V899-V930 PolarHBondContact N-O 2.79Å; V899-D931 HydrophobicContact CG2-CB 3.84Å; V899-F932 PolarHBondContact O-N 3.41Å; V899-L985 HydrophobicContact CG1-CD1 4.05Å; V899-L985 HydrophobicContact CG1-CD2 4.03Å
900K91Very high93.8Very high32 Ų3218.5 Ų18.514%0.1399%0.092CC..SBendtrans-160.2120.3165.9-175.1176.4-177.789.90109.9Q902 F932 S934 G958 F960 L1100K900-Q902 VanDerWaalsContact C-N 3.32Å; K900-Q902 WeakPolarHBondContact O-CG 3.29Å; K900-Q902 PolarHBondContact O-N 3.08Å; K900-F932 HydrophobicContact CB-CB 4.11Å; K900-F932 HydrophobicContact CD-CB 4.12Å; K900-F932 WeakPolarHBondContact CD-O 3.37Å; K900-F932 HydrophobicContact CG-CB 4.31Å; K900-F932 WeakPolarHBondContact CG-O 3.19Å; K900-F932 PolarHBondContact NZ-O 3.4Å; K900-S934 WeakPolarHBondContact CA-OG 3.17Å; K900-G958 PolarHBondContact NZ-O 2.94Å; K900-F960 HydrophobicContact CB-CB 4.19Å; K900-F960 HydrophobicContact CB-CD2 3.83Å; K900-F960 HydrophobicContact CB-CG 4.41Å; K900-F960 HydrophobicContact CD-CB 3.94Å; K900-L1100 HydrophobicContact CB-CD2 3.89Å; K900-L1100 HydrophobicContact CD-CD2 4.4Å; K900-L1100 HydrophobicContact CG-CD2 4.43Å
901N89.1Confident93.9Very high38 Ų3815.1 Ų15.120%0.2038%0.078CC..SBendtrans50.249.6179.4-60.4-34.1000112.6S934 E935 D936 E1099N901-S934 PolarHBondContact N-OG 3.43Å; N901-S934 WeakPolarHBondContact OD1-CA 3.46Å; N901-E935 PolarHBondContact OD1-N 3.45Å; N901-D936 WeakPolarHBondContact CA-OD2 3.35Å; N901-E1099 HydrophobicContact CB-CB 4.18Å; N901-E1099 PolarHBondContact ND2-O 2.78Å; N901-E1099 VanDerWaalsContact ND2-O 3.12Å
902Q87.4Confident93.8Very high8 Ų815.5 Ų15.54%0.0378%0.08CC..  trans-130.631.3179.4-67.6-60.5-59.400111.2K900 R904 W905 V906 D936 L985 E1099K900-Q902 VanDerWaalsContact C-N 3.32Å; K900-Q902 WeakPolarHBondContact O-CG 3.29Å; K900-Q902 PolarHBondContact O-N 3.08Å; Q902-R904 PolarHBondContact O-N 3.48Å; Q902-W905 PolarHBondContact O-N 3.22Å; Q902-W905 VanDerWaalsContact OE1-CD1 3.29Å; Q902-V906 PolarHBondContact O-N 2.96Å; Q902-D936 PolarHBondContact N-OD2 2.87Å; Q902-L985 HydrophobicContact CB-CD2 3.63Å; Q902-L985 HydrophobicContact CG-CD2 4.42Å; Q902-E1099 PolarHBondContact NE2-OE2 3.43Å
903A90Very high93.7Very high1 Ų113.7 Ų13.71%0.0087%0.071CC..Hα-helixtrans-53.2-30.7-169.100000114.5M292 V906 Q907 D936 M937M292-A903 HydrophobicContact CB-CB 4.25Å; M292-A903 HydrophobicContact CE-CB 3.9Å; M292-A903 HydrophobicContact CG-CB 4.42Å; M292-A903 HydrophobicContact SD-CB 3.5Å; M292-A903 VanDerWaalsContact SD-CB 3.5Å; A903-V906 PolarHBondContact O-N 2.97Å; A903-Q907 VanDerWaalsContact O-CB 3.28Å; A903-Q907 WeakPolarHBondContact O-CB 3.42Å; A903-Q907 PolarHBondContact O-N 3.35Å; A903-D936 HydrophobicContact CB-CB 4.08Å; A903-D936 WeakPolarHBondContact CB-OD2 3.27Å; A903-D936 PolarHBondContact N-OD2 3.02Å; A903-M937 HydrophobicContact CB-CB 3.35Å; A903-M937 HydrophobicContact CB-CE 4.03Å; A903-M937 HydrophobicContact CB-CG 4.3Å; A903-M937 HydrophobicContact CB-SD 4.1Å
904R89.8Confident93.5Very high7 Ų715.6 Ų15.63%0.0268%0.08CC..Hα-helixtrans-61.3-49.1179.4-63174.1-77.6123.2-6.1110Y148 H150 M292 Q902 Q908 E1099Y148-R904 WeakPolarHBondContact O-CD 3.33Å; H150-R904 VanDerWaalsContact CD2-CZ 3.42Å; H150-R904 PolarHBondContact CD2-NH1 3.47Å; H150-R904 PolarHBondContact CD2-NH2 3.13Å; H150-R904 PolarHBondContact CE1-NH1 3.49Å; H150-R904 PolarHBondContact ND1-NH1 2.95Å; H150-R904 PolarHBondContact NE2-NH1 2.99Å; M292-R904 HydrophobicContact CG-CG 3.85Å; M292-R904 WeakPolarHBondContact SD-CA 3.43Å; M292-R904 HydrophobicContact SD-CB 3.9Å; M292-R904 HydrophobicContact SD-CG 3.19Å; M292-R904 WeakPolarHBondContact SD-CG 3.26Å; M292-R904 PolarHBondContact SD-N 3.39Å; Q902-R904 PolarHBondContact O-N 3.48Å; R904-Q908 PolarHBondContact O-N 2.86Å; R904-Q908 VanDerWaalsContact O-N 3.1Å; R904-E1099 IonicContact CZ-OE1 2.75Å; R904-E1099 IonicContact NH2-OE1 3.92Å; R904-E1099 PolarHBondContact NH2-OE1 3.23Å; R904-E1099 IonicContact NH2-OE2 3.88Å; R904-E1099 PolarHBondContact NH2-OE2 2.9Å
905W91.3Very high93.3Very high24 Ų2417.6 Ų17.69%0.0919%0.092CC..Hα-helixtrans-74.3-30.9175.3-60.4114.6000113.4H144 Q902 Q908 F909 L985 H986 L1089 F1091H144-W905 AromaticContact CE1-CD2 3.61Å; H144-W905 AromaticContact CE1-CE2 3.59Å; H144-W905 AromaticContact CE1-CE3 3.65Å; H144-W905 AromaticContact CE1-CH2 3.71Å; H144-W905 AromaticContact CE1-CZ2 3.68Å; H144-W905 AromaticContact CE1-CZ3 3.67Å; H144-W905 AromaticContact NE2-CE3 3.93Å; Q902-W905 PolarHBondContact O-N 3.22Å; Q902-W905 VanDerWaalsContact OE1-CD1 3.29Å; W905-Q908 PolarHBondContact O-N 3.04Å; W905-F909 VanDerWaalsContact O-CB 3.24Å; W905-F909 WeakPolarHBondContact O-CB 3.23Å; W905-F909 PolarHBondContact O-N 3Å; W905-L985 HydrophobicContact CB-CD2 3.5Å; W905-L985 VanDerWaalsContact CB-CD2 3.5Å; W905-L985 HydrophobicContact CB-CG 3.75Å; W905-H986 AromaticContact CD1-CD2 3.68Å; W905-H986 AromaticContact CD1-NE2 3.31Å; W905-H986 VanDerWaalsContact CD1-NE2 3.31Å; W905-H986 AromaticContact CD2-CD2 3.52Å; W905-H986 AromaticContact CE2-CD2 3.35Å; W905-H986 AromaticContact CE2-NE2 3.72Å; W905-H986 AromaticContact CG-CD2 3.72Å; W905-H986 AromaticContact CG-NE2 3.75Å; W905-H986 AromaticContact CZ2-CD2 3.83Å; W905-H986 AromaticContact NE1-CD2 3.45Å; W905-H986 PolarHBondContact NE1-CD2 2.28Å; W905-H986 AromaticContact NE1-NE2 3.27Å; W905-H986 PolarHBondContact NE1-NE2 2.74Å; W905-L1089 HydrophobicContact CH2-CB 3.87Å; W905-L1089 HydrophobicContact CH2-CD1 4.36Å; W905-L1089 HydrophobicContact CZ3-CB 3.93Å; W905-L1089 HydrophobicContact CZ3-CD1 3.63Å; W905-L1089 HydrophobicContact CZ3-CG 4.4Å; W905-F1091 HydrophobicContact CZ2-CB 4.24Å
906V94.1Very high93.1Very high1 Ų117.6 Ų17.61%0.0069%0.092CC..Hα-helixtrans-66.1-43.6172.5-179.50000111.3V899 Q902 A903 Q908 F909 I910 I929 M937 V939 L985V899-V906 HydrophobicContact CB-CG2 4.13Å; V899-V906 HydrophobicContact CG1-CG2 3.87Å; V899-V906 HydrophobicContact CG2-CG2 4.37Å; Q902-V906 PolarHBondContact O-N 2.96Å; A903-V906 PolarHBondContact O-N 2.97Å; V906-Q908 VanDerWaalsContact C-N 3.34Å; V906-Q908 PolarHBondContact O-N 2.88Å; V906-F909 PolarHBondContact O-N 2.71Å; V906-I910 HydrophobicContact CG1-CD1 4.01Å; V906-I910 WeakPolarHBondContact O-CG1 3.43Å; V906-I910 PolarHBondContact O-N 3.48Å; V906-I929 HydrophobicContact CG1-CD1 4.1Å; V906-M937 HydrophobicContact CB-CE 3.65Å; V906-M937 HydrophobicContact CG1-CE 3.51Å; V906-V939 HydrophobicContact CG1-CG1 4.06Å; V906-V939 HydrophobicContact CG1-CG2 4.41Å; V906-L985 HydrophobicContact CG2-CD1 4.07Å; V906-L985 HydrophobicContact CG2-CD2 3.77Å
907Q93.1Very high93Very high35 Ų3519.5 Ų19.516%0.16410%0.1CC..Hα-helixtrans-64.8-38.8176.7-174.662.477.500111.6Y148 M292 A903 S911 M937Y148-Q907 HydrophobicContact CE1-CG 3.89Å; M292-Q907 HydrophobicContact CE-CB 4Å; M292-Q907 HydrophobicContact CE-CG 4.42Å; A903-Q907 VanDerWaalsContact O-CB 3.28Å; A903-Q907 WeakPolarHBondContact O-CB 3.42Å; A903-Q907 PolarHBondContact O-N 3.35Å; Q907-S911 WeakPolarHBondContact O-CB 3.3Å; Q907-S911 PolarHBondContact O-N 3.13Å; Q907-S911 VanDerWaalsContact O-N 3.07Å; Q907-M937 HydrophobicContact CB-SD 4.45Å
908Q91.6Very high92.9Very high32 Ų3223.7 Ų23.715%0.1512%0.12CC..Hα-helixtrans-65.4-47.5172.8-17162.751.600111.8L143 R904 W905 V906 I910 S911 D912L143-Q908 HydrophobicContact CD2-CG 3.8Å; R904-Q908 PolarHBondContact O-N 2.86Å; R904-Q908 VanDerWaalsContact O-N 3.1Å; W905-Q908 PolarHBondContact O-N 3.04Å; V906-Q908 VanDerWaalsContact C-N 3.34Å; V906-Q908 PolarHBondContact O-N 2.88Å; Q908-I910 VanDerWaalsContact C-N 3.32Å; Q908-I910 PolarHBondContact O-N 2.83Å; Q908-S911 WeakPolarHBondContact O-CB 3.32Å; Q908-S911 PolarHBondContact O-N 3.17Å; Q908-S911 VanDerWaalsContact O-N 3.1Å; Q908-D912 PolarHBondContact NE2-OD1 2.99Å; Q908-D912 PolarHBondContact O-N 2.77Å
909F94.7Very high92.9Very high3 Ų327.7 Ų27.71%0.01314%0.138CC..Hα-helixtrans-59-41.1178.3173.6-95.1000112.4F895 V897 W905 V906 M913 I927 I929 L985 F989F895-F909 HydrophobicContact CB-CZ 4.36Å; V897-F909 HydrophobicContact CG2-CE1 4.42Å; V897-F909 HydrophobicContact CG2-CE2 3.97Å; V897-F909 HydrophobicContact CG2-CZ 3.79Å; W905-F909 VanDerWaalsContact O-CB 3.24Å; W905-F909 WeakPolarHBondContact O-CB 3.23Å; W905-F909 PolarHBondContact O-N 3Å; V906-F909 PolarHBondContact O-N 2.71Å; F909-M913 HydrophobicContact CD2-CE 4.31Å; F909-M913 HydrophobicContact CE1-CG 4.34Å; F909-M913 HydrophobicContact CE2-CE 3.57Å; F909-M913 HydrophobicContact CE2-CG 4.33Å; F909-M913 HydrophobicContact CZ-CE 3.91Å; F909-M913 HydrophobicContact CZ-CG 4.18Å; F909-M913 WeakPolarHBondContact O-CB 3.22Å; F909-M913 WeakPolarHBondContact O-CG 3.25Å; F909-M913 PolarHBondContact O-N 3.43Å; F909-M913 VanDerWaalsContact O-N 3.08Å; F909-I927 HydrophobicContact CE1-CB 4.02Å; F909-I927 HydrophobicContact CE1-CD1 4.15Å; F909-I927 HydrophobicContact CE1-CG2 3.88Å; F909-I927 HydrophobicContact CZ-CB 4.36Å; F909-I927 HydrophobicContact CZ-CG2 3.93Å; F909-I929 HydrophobicContact CD1-CD1 4.37Å; F909-I929 HydrophobicContact CE1-CD1 4.37Å; F909-L985 HydrophobicContact CB-CD1 3.84Å; F909-L985 HydrophobicContact CD1-CD1 4.46Å; F909-L985 HydrophobicContact CD2-CD1 4.49Å; F909-L985 HydrophobicContact CG-CD1 4.04Å; F909-F989 HydrophobicContact CD2-CE2 4.05Å; F909-F989 AromaticContact CE2-CE2 3.84Å; F909-F989 HydrophobicContact CE2-CE2 3.84Å
910I95.7Very high92.8Very high1 Ų129 Ų291%0.00515%0.145CC..Hα-helixtrans-62.1-49173.1-68.6168.8000109.9V906 Q908 D912 M913 E914 I927 A942 L943 V948V906-I910 HydrophobicContact CG1-CD1 4.01Å; V906-I910 WeakPolarHBondContact O-CG1 3.43Å; V906-I910 PolarHBondContact O-N 3.48Å; Q908-I910 VanDerWaalsContact C-N 3.32Å; Q908-I910 PolarHBondContact O-N 2.83Å; I910-D912 PolarHBondContact O-N 2.83Å; I910-M913 PolarHBondContact O-N 2.82Å; I910-M913 VanDerWaalsContact O-N 3.15Å; I910-E914 HydrophobicContact CG2-CG 4.38Å; I910-E914 WeakPolarHBondContact O-CG 3.36Å; I910-E914 PolarHBondContact O-N 2.82Å; I910-I927 HydrophobicContact CG1-CD1 4.43Å; I910-A942 HydrophobicContact CD1-CB 4.02Å; I910-L943 HydrophobicContact CD1-CD2 3.85Å; I910-L943 HydrophobicContact CD1-CG 4.13Å; I910-L943 HydrophobicContact CG1-CD2 4.03Å; I910-V948 HydrophobicContact CG2-CG2 4.41Å
911S93.6Very high93Very high54 Ų5434.1 Ų34.138%0.37817%0.168SC..Hα-helixtrans-62.1-38.3179.9-169.10000113.4Q907 Q908 N915Q907-S911 WeakPolarHBondContact O-CB 3.3Å; Q907-S911 PolarHBondContact O-N 3.13Å; Q907-S911 VanDerWaalsContact O-N 3.07Å; Q908-S911 WeakPolarHBondContact O-CB 3.32Å; Q908-S911 PolarHBondContact O-N 3.17Å; Q908-S911 VanDerWaalsContact O-N 3.1Å; S911-N915 WeakPolarHBondContact O-CB 3.46Å; S911-N915 PolarHBondContact O-N 2.89Å
912D92.7Very high93.2Very high13 Ų1333.7 Ų33.77%0.0717%0.165CC..Hα-helixtrans-64-42174.6-8630.9000110.8Q908 I910 N915 L916 H988Q908-D912 PolarHBondContact NE2-OD1 2.99Å; Q908-D912 PolarHBondContact O-N 2.77Å; I910-D912 PolarHBondContact O-N 2.83Å; D912-N915 PolarHBondContact O-N 2.85Å; D912-L916 WeakPolarHBondContact O-CB 3.38Å; D912-L916 PolarHBondContact O-N 3.15Å; D912-H988 IonicContact OD1-ND1 3.49Å; D912-H988 IonicContact OD2-CE1 3.6Å; D912-H988 IonicContact OD2-CG 2.74Å; D912-H988 IonicContact OD2-ND1 2.74Å; D912-H988 PolarHBondContact OD2-ND1 3.19Å
913M95.5Very high93.6Very high0 Ų037.5 Ų37.50%019%0.186CC..Hα-helixtrans-73.3-32.6178.7-68.6-70.8170.200112.8F895 F909 I910 L916 H917 F925 I927 V948 F989F895-M913 HydrophobicContact CD1-CE 3.67Å; F895-M913 HydrophobicContact CD2-CE 4.39Å; F895-M913 HydrophobicContact CE1-CE 3.77Å; F895-M913 HydrophobicContact CE2-CE 4.47Å; F895-M913 HydrophobicContact CG-CE 4.01Å; F895-M913 HydrophobicContact CZ-CE 4.18Å; F909-M913 HydrophobicContact CD2-CE 4.31Å; F909-M913 HydrophobicContact CE1-CG 4.34Å; F909-M913 HydrophobicContact CE2-CE 3.57Å; F909-M913 HydrophobicContact CE2-CG 4.33Å; F909-M913 HydrophobicContact CZ-CE 3.91Å; F909-M913 HydrophobicContact CZ-CG 4.18Å; F909-M913 WeakPolarHBondContact O-CB 3.22Å; F909-M913 WeakPolarHBondContact O-CG 3.25Å; F909-M913 PolarHBondContact O-N 3.43Å; F909-M913 VanDerWaalsContact O-N 3.08Å; I910-M913 PolarHBondContact O-N 2.82Å; I910-M913 VanDerWaalsContact O-N 3.15Å; M913-L916 HydrophobicContact SD-CD2 3.84Å; M913-H917 PolarHBondContact O-N 2.86Å; M913-F925 HydrophobicContact CB-CE2 4.4Å; M913-F925 HydrophobicContact SD-CE2 3.97Å; M913-I927 HydrophobicContact CB-CG2 4.37Å; M913-I927 HydrophobicContact CG-CG2 3.94Å; M913-I927 HydrophobicContact SD-CG2 4.2Å; M913-V948 HydrophobicContact CB-CG2 4.1Å; M913-F989 HydrophobicContact CE-CB 4.44Å; M913-F989 HydrophobicContact CE-CD1 4.36Å; M913-F989 HydrophobicContact CE-CD2 3.53Å; M913-F989 HydrophobicContact CE-CE2 3.74Å; M913-F989 HydrophobicContact CE-CG 3.86Å; M913-F989 HydrophobicContact CE-CZ 4.24Å
914E95.8Very high93.9Very high40 Ų4040 Ų4019%0.18720%0.2CC..Hα-helixtrans-63.1-45.5168.2-73-173.1107.800111.4I910 H917 Q918 S946 R947 V948I910-E914 HydrophobicContact CG2-CG 4.38Å; I910-E914 WeakPolarHBondContact O-CG 3.36Å; I910-E914 PolarHBondContact O-N 2.82Å; E914-H917 PolarHBondContact O-N 2.94Å; E914-Q918 VanDerWaalsContact O-CB 3.27Å; E914-Q918 WeakPolarHBondContact O-CB 3.5Å; E914-Q918 PolarHBondContact O-N 2.91Å; E914-S946 WeakPolarHBondContact OE1-CA 3.32Å; E914-R947 HydrophobicContact CG-CB 4.17Å; E914-R947 WeakPolarHBondContact OE1-CB 3.46Å; E914-R947 WeakPolarHBondContact OE1-CG 3.36Å; E914-R947 PolarHBondContact OE1-N 3.2Å; E914-V948 HydrophobicContact CG-CG2 3.77Å
915N93.9Very high94.3Very high66 Ų6639.7 Ų39.735%0.35320%0.198SC..Hα-helixtrans-64-44.5175.8-177.240.7000111.1S911 D912 H917 Q918 Q919S911-N915 WeakPolarHBondContact O-CB 3.46Å; S911-N915 PolarHBondContact O-N 2.89Å; D912-N915 PolarHBondContact O-N 2.85Å; N915-H917 VanDerWaalsContact C-N 3.34Å; N915-H917 PolarHBondContact O-N 3.1Å; N915-Q918 CarbonylContact O-C 3.56Å; N915-Q918 WeakPolarHBondContact O-CA 3.43Å; N915-Q918 PolarHBondContact O-N 3.14Å; N915-Q919 WeakPolarHBondContact O-CG 3.5Å; N915-Q919 PolarHBondContact O-N 3.25Å; N915-Q919 WeakPolarHBondContact OD1-CG 3.22Å; N915-Q919 PolarHBondContact OD1-NE2 3.08Å
916L93.7Very high94.6Very high0 Ų039 Ų390%020%0.197CC..Hα-helixtrans-53.4-49.6175.5-179.864.2000111.4D912 M913 T920 L991 I993 L994D912-L916 WeakPolarHBondContact O-CB 3.38Å; D912-L916 PolarHBondContact O-N 3.15Å; M913-L916 HydrophobicContact SD-CD2 3.84Å; L916-T920 HydrophobicContact CD1-CG2 3.92Å; L916-T920 WeakPolarHBondContact O-CB 3.43Å; L916-T920 VanDerWaalsContact O-CG2 3.32Å; L916-T920 WeakPolarHBondContact O-CG2 3.49Å; L916-T920 PolarHBondContact O-N 3.28Å; L916-T920 PolarHBondContact O-OG1 2.88Å; L916-L991 HydrophobicContact CD1-CD2 4.35Å; L916-L991 WeakPolarHBondContact CD1-O 3Å; L916-I993 HydrophobicContact CD1-CG2 4.07Å; L916-I993 HydrophobicContact CD2-CG2 3.86Å; L916-L994 HydrophobicContact CD2-CD1 4.32Å; L916-L994 HydrophobicContact CD2-CD2 4.34Å; L916-L994 HydrophobicContact CD2-CG 4.17Å; L916-L994 HydrophobicContact CG-CD1 4.44Å
917H95.5Very high94.8Very high39 Ų3939 Ų3918%0.18120%0.197CC..Hα-helixtrans-64.5-42173.8178.368.1000112.2M913 E914 N915 Q919 K921 D922 D923 F925M913-H917 PolarHBondContact O-N 2.86Å; E914-H917 PolarHBondContact O-N 2.94Å; N915-H917 VanDerWaalsContact C-N 3.34Å; N915-H917 PolarHBondContact O-N 3.1Å; H917-Q919 VanDerWaalsContact C-N 3.33Å; H917-Q919 PolarHBondContact O-N 3.3Å; H917-K921 WeakPolarHBondContact O-CA 3.46Å; H917-K921 PolarHBondContact O-N 2.91Å; H917-D922 PolarHBondContact ND1-O 2.67Å; H917-D923 IonicContact CE1-OD1 4Å; H917-D923 PolarHBondContact CE1-OD1 3.14Å; H917-F925 HydrophobicContact CB-CE1 3.89Å; H917-F925 HydrophobicContact CB-CZ 3.95Å
918Q95.4Very high95Very high89 Ų8937.5 Ų37.542%0.41619%0.19SC..Hα-helixtrans-61.2-38.2-179.4-174.4172.7-6700112.7E914 N915 K921E914-Q918 VanDerWaalsContact O-CB 3.27Å; E914-Q918 WeakPolarHBondContact O-CB 3.5Å; E914-Q918 PolarHBondContact O-N 2.91Å; N915-Q918 CarbonylContact O-C 3.56Å; N915-Q918 WeakPolarHBondContact O-CA 3.43Å; N915-Q918 PolarHBondContact O-N 3.14Å; Q918-K921 VanDerWaalsContact O-CE 3.27Å; Q918-K921 WeakPolarHBondContact O-CE 3.47Å; Q918-K921 PolarHBondContact O-NZ 2.93Å
919Q93.4Very high95.4Very high95 Ų9536 Ų3644%0.44418%0.183SC..Hα-helixtrans-84.1-41.7178.9-54.2-58.9-16.700112.9N915 H917 L991N915-Q919 WeakPolarHBondContact O-CG 3.5Å; N915-Q919 PolarHBondContact O-N 3.25Å; N915-Q919 WeakPolarHBondContact OD1-CG 3.22Å; N915-Q919 PolarHBondContact OD1-NE2 3.08Å; H917-Q919 VanDerWaalsContact C-N 3.33Å; H917-Q919 PolarHBondContact O-N 3.3Å; Q919-L991 HydrophobicContact CB-CD1 3.96Å; Q919-L991 HydrophobicContact CB-CD2 3.97Å; Q919-L991 HydrophobicContact CG-CD1 3.96Å; Q919-L991 HydrophobicContact CG-CD2 3.88Å
920T92.6Very high95.5Very high30 Ų3035.9 Ų35.918%0.18418%0.183CC..Hα-helixtrans-85.6-26.6-173.562.10000114.2Y339 L916 D922 L991Y339-T920 HydrophobicContact CD2-CG2 4.34Å; Y339-T920 HydrophobicContact CE2-CG2 3.95Å; L916-T920 HydrophobicContact CD1-CG2 3.92Å; L916-T920 WeakPolarHBondContact O-CB 3.43Å; L916-T920 VanDerWaalsContact O-CG2 3.32Å; L916-T920 WeakPolarHBondContact O-CG2 3.49Å; L916-T920 PolarHBondContact O-N 3.28Å; L916-T920 PolarHBondContact O-OG1 2.88Å; T920-D922 PolarHBondContact O-N 2.97Å; T920-D922 PolarHBondContact OG1-N 2.85Å; T920-L991 VanDerWaalsContact CG2-O 3.31Å; T920-L991 WeakPolarHBondContact CG2-O 3.45Å
921K93.6Very high95.5Very high141 Ų14136 Ų3661%0.61318%0.183SC*.  trans56.424.1-167.5-51.1-50.6-170.8-164.20114.2H917 Q918H917-K921 WeakPolarHBondContact O-CA 3.46Å; H917-K921 PolarHBondContact O-N 2.91Å; Q918-K921 VanDerWaalsContact O-CE 3.27Å; Q918-K921 WeakPolarHBondContact O-CE 3.47Å; Q918-K921 PolarHBondContact O-NZ 2.93Å
922D94Very high95.5Very high28 Ų2833.8 Ų33.815%0.1517%0.167CC..  trans-80.3120.3177.1-161.5-41.8000110.5H917 T920 N924 F925 L994 R998H917-D922 PolarHBondContact ND1-O 2.67Å; T920-D922 PolarHBondContact O-N 2.97Å; T920-D922 PolarHBondContact OG1-N 2.85Å; D922-N924 WeakPolarHBondContact OD1-CA 3.47Å; D922-N924 WeakPolarHBondContact OD1-CB 3.4Å; D922-N924 PolarHBondContact OD1-N 2.75Å; D922-F925 WeakPolarHBondContact O-CD1 3.39Å; D922-F925 WeakPolarHBondContact O-CE1 3.18Å; D922-L994 HydrophobicContact CB-CD1 3.58Å; D922-R998 VanDerWaalsContact CG-NH2 3.27Å; D922-R998 IonicContact OD1-CZ 3.78Å; D922-R998 IonicContact OD1-NH1 3.88Å; D922-R998 IonicContact OD1-NH2 2.63Å; D922-R998 PolarHBondContact OD1-NH2 3.09Å; D922-R998 IonicContact OD2-CZ 2.78Å; D922-R998 VanDerWaalsContact OD2-CZ 3.25Å; D922-R998 IonicContact OD2-NH1 3.47Å; D922-R998 PolarHBondContact OD2-NH1 2.97Å; D922-R998 IonicContact OD2-NH2 3.14Å; D922-R998 PolarHBondContact OD2-NH2 2.85Å
923D95.8Very high95.5Very high88 Ų8835.8 Ų35.847%0.47118%0.176SC..  trans-92.4-8.7174.4-79.4-44.3000113H917 F925 K950H917-D923 IonicContact CE1-OD1 4Å; H917-D923 PolarHBondContact CE1-OD1 3.14Å; D923-F925 VanDerWaalsContact C-N 3.27Å; D923-F925 PolarHBondContact O-N 2.75Å; D923-K950 PolarHBondContact O-NZ 2.91Å
924N96.7Very high95.3Very high55 Ų5536.4 Ų36.429%0.29418%0.18SC..SBendtrans-94.644.6-172.8-64.7-49.6000111.8M892 V893 D922 R998M892-N924 WeakPolarHBondContact CA-O 3.47Å; M892-N924 VanDerWaalsContact SD-C 3.58Å; V893-N924 PolarHBondContact N-O 2.89Å; D922-N924 WeakPolarHBondContact OD1-CA 3.47Å; D922-N924 WeakPolarHBondContact OD1-CB 3.4Å; D922-N924 PolarHBondContact OD1-N 2.75Å; N924-R998 PolarHBondContact O-NH2 2.75Å
925F97.7Very high95Very high0 Ų041.8 Ų41.80%021%0.205CC..EExtended strand (participates in β ladder)trans-141.5165.216582.3-82.9000111.7M892 V893 F895 M913 H917 D922 D923 I927 V948 P949 L994M892-F925 VanDerWaalsContact SD-C 3.54Å; M892-F925 VanDerWaalsContact SD-CA 3.59Å; V893-F925 HydrophobicContact CB-CB 4.26Å; V893-F925 CarbonylContact O-C 3.53Å; V893-F925 WeakPolarHBondContact O-CA 3.49Å; V893-F925 WeakPolarHBondContact O-CB 2.97Å; F895-F925 HydrophobicContact CD2-CD2 4.23Å; F895-F925 HydrophobicContact CE2-CB 4.4Å; F895-F925 HydrophobicContact CE2-CD2 4.16Å; M913-F925 HydrophobicContact CB-CE2 4.4Å; M913-F925 HydrophobicContact SD-CE2 3.97Å; H917-F925 HydrophobicContact CB-CE1 3.89Å; H917-F925 HydrophobicContact CB-CZ 3.95Å; D922-F925 WeakPolarHBondContact O-CD1 3.39Å; D922-F925 WeakPolarHBondContact O-CE1 3.18Å; D923-F925 VanDerWaalsContact C-N 3.27Å; D923-F925 PolarHBondContact O-N 2.75Å; F925-I927 HydrophobicContact CE2-CG2 4.5Å; F925-V948 HydrophobicContact CE2-CG1 4.1Å; F925-V948 HydrophobicContact CZ-CG1 4.39Å; F925-P949 HydrophobicContact CD1-CG 4.07Å; F925-P949 HydrophobicContact CE1-CG 3.64Å; F925-P949 HydrophobicContact CZ-CG 3.97Å; F925-L994 HydrophobicContact CB-CD1 4.36Å; F925-L994 HydrophobicContact CB-CD2 3.72Å; F925-L994 HydrophobicContact CD1-CD1 3.73Å; F925-L994 HydrophobicContact CD1-CD2 4.41Å; F925-L994 HydrophobicContact CE1-CD1 4.28Å; F925-L994 HydrophobicContact CG-CD1 4.2Å; F925-L994 HydrophobicContact CG-CD2 4.03Å
926S97.8Very high94.7Very high10 Ų1040.4 Ų40.47%0.0720%0.198CC..EExtended strand (participates in β ladder)trans-149.5153.8172.2700000111.5V893 H894 F895 K950V893-S926 PolarHBondContact O-N 3.4Å; H894-S926 WeakPolarHBondContact CA-O 3.26Å; H894-S926 PolarHBondContact ND1-OG 2.62Å; F895-S926 PolarHBondContact N-O 3.26Å; S926-K950 WeakPolarHBondContact CA-O 3.01Å; S926-K950 WeakPolarHBondContact CB-O 3.33Å
927I98.1Very high94.6Very high0 Ų040.7 Ų40.70%020%0.199CC..EExtended strand (participates in β ladder)trans-104.7136.7170.764.3-178.3000111.6F895 F909 I910 M913 F925 L943 V948 K950 Y951 E952F895-I927 HydrophobicContact CB-CG2 4.29Å; F909-I927 HydrophobicContact CE1-CB 4.02Å; F909-I927 HydrophobicContact CE1-CD1 4.15Å; F909-I927 HydrophobicContact CE1-CG2 3.88Å; F909-I927 HydrophobicContact CZ-CB 4.36Å; F909-I927 HydrophobicContact CZ-CG2 3.93Å; I910-I927 HydrophobicContact CG1-CD1 4.43Å; M913-I927 HydrophobicContact CB-CG2 4.37Å; M913-I927 HydrophobicContact CG-CG2 3.94Å; M913-I927 HydrophobicContact SD-CG2 4.2Å; F925-I927 HydrophobicContact CE2-CG2 4.5Å; I927-L943 HydrophobicContact CD1-CD2 3.46Å; I927-L943 VanDerWaalsContact CD1-CD2 3.46Å; I927-L943 HydrophobicContact CG1-CD2 4.11Å; I927-V948 HydrophobicContact CD1-CB 4.32Å; I927-V948 HydrophobicContact CD1-CG1 3.91Å; I927-V948 HydrophobicContact CD1-CG2 4.09Å; I927-V948 HydrophobicContact CG1-CG1 4.01Å; I927-V948 HydrophobicContact CG2-CG1 4.35Å; I927-K950 PolarHBondContact N-O 3.42Å; I927-K950 VanDerWaalsContact N-O 3.15Å; I927-Y951 CarbonylContact O-C 3.5Å; I927-Y951 WeakPolarHBondContact O-CA 3.48Å; I927-E952 PolarHBondContact O-N 2.96Å
928I98.4Very high94.5Very high3 Ų342.8 Ų42.82%0.01521%0.212CC..EExtended strand (participates in β ladder)trans-121.7109.5177.9-53.9-177.3000107.7H894 F895 V896 V897 V930 E952 L954 G969 I973H894-I928 HydrophobicContact CB-CD1 4.11Å; F895-I928 PolarHBondContact O-N 2.74Å; V896-I928 HydrophobicContact CG2-CB 4.37Å; V896-I928 HydrophobicContact CG2-CD1 4.38Å; V897-I928 PolarHBondContact N-O 2.71Å; I928-V930 HydrophobicContact CG2-CG2 4.48Å; I928-E952 WeakPolarHBondContact CA-O 3.5Å; I928-E952 HydrophobicContact CG1-CB 4.26Å; I928-E952 HydrophobicContact CG2-CB 4.31Å; I928-L954 HydrophobicContact CG2-CD1 4.2Å; I928-G969 WeakPolarHBondContact CD1-O 3.41Å; I928-I973 HydrophobicContact CD1-CD1 3.91Å; I928-I973 HydrophobicContact CD1-CG1 3.66Å
929I98.1Very high94.5Very high1 Ų138.6 Ų38.61%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-104.8122.7-178.1-56.2-170.4000109.6V897 V899 V906 F909 V939 L943 E952 L954V897-I929 WeakPolarHBondContact O-CA 3.45Å; V899-I929 HydrophobicContact CB-CG2 4.48Å; V899-I929 HydrophobicContact CG1-CG2 4Å; V899-I929 HydrophobicContact CG2-CG2 3.59Å; V906-I929 HydrophobicContact CG1-CD1 4.1Å; F909-I929 HydrophobicContact CD1-CD1 4.37Å; F909-I929 HydrophobicContact CE1-CD1 4.37Å; I929-V939 HydrophobicContact CD1-CG1 4.35Å; I929-V939 HydrophobicContact CG2-CG1 4.05Å; I929-L943 HydrophobicContact CD1-CD1 4.21Å; I929-L943 HydrophobicContact CD1-CD2 4.02Å; I929-L943 HydrophobicContact CD1-CG 4.46Å; I929-E952 PolarHBondContact N-O 3.45Å; I929-L954 PolarHBondContact O-N 2.96Å
930V97.4Very high94.6Very high0 Ų037.1 Ų37.10%019%0.185CC..EExtended strand (participates in β ladder)trans-109101.7179.6-169.10000109.3V897 P898 V899 I928 F932 L954 R956 G965 I968V897-V930 PolarHBondContact O-N 2.71Å; P898-V930 CarbonylContact C-O 3.48Å; P898-V930 VanDerWaalsContact CA-O 3.3Å; P898-V930 WeakPolarHBondContact CA-O 3.45Å; V899-V930 PolarHBondContact N-O 2.79Å; I928-V930 HydrophobicContact CG2-CG2 4.48Å; V930-F932 HydrophobicContact CG1-CE2 4.36Å; V930-L954 CarbonylContact C-O 3.51Å; V930-L954 WeakPolarHBondContact CA-O 3.11Å; V930-L954 HydrophobicContact CG1-CB 4.3Å; V930-L954 HydrophobicContact CG2-CB 4.33Å; V930-L954 HydrophobicContact CG2-CD1 4.14Å; V930-R956 HydrophobicContact CG1-CG 4Å; V930-G965 WeakPolarHBondContact CG2-O 3.35Å; V930-I968 HydrophobicContact CG1-CB 4.4Å; V930-I968 HydrophobicContact CG1-CG2 3.84Å; V930-I968 HydrophobicContact CG2-CG2 4.47Å
931D96.1Very high94.7Very high3 Ų339.9 Ų39.92%0.01620%0.196CC..EExtended strand (participates in β ladder)trans-101.3113.3-166.8172.331000111.5V899 E933 S934 Y953 L954 R955 R956V899-D931 HydrophobicContact CG2-CB 3.84Å; D931-E933 PolarHBondContact O-N 3.13Å; D931-E933 PolarHBondContact OD1-N 3.01Å; D931-S934 WeakPolarHBondContact OD1-CB 3.3Å; D931-S934 PolarHBondContact OD1-N 3.31Å; D931-S934 PolarHBondContact OD1-OG 2.82Å; D931-Y953 HydrophobicContact CB-CD2 4.37Å; D931-Y953 HydrophobicContact CB-CE2 3.45Å; D931-Y953 VanDerWaalsContact CB-CE2 3.45Å; D931-Y953 PolarHBondContact OD2-OH 3Å; D931-L954 PolarHBondContact N-O 2.88Å; D931-R955 CarbonylContact O-C 3.44Å; D931-R955 WeakPolarHBondContact O-CA 3.45Å; D931-R956 PolarHBondContact O-N 3.31Å
932F93.3Very high94.8Very high8 Ų833.5 Ų33.54%0.03517%0.17CC..SBendtrans-83.355178.8-68.1-99.5000111.6P898 V899 K900 V930 R956 N959 F960 E961P898-F932 HydrophobicContact CB-CE2 4.05Å; V899-F932 PolarHBondContact O-N 3.41Å; K900-F932 HydrophobicContact CB-CB 4.11Å; K900-F932 HydrophobicContact CD-CB 4.12Å; K900-F932 WeakPolarHBondContact CD-O 3.37Å; K900-F932 HydrophobicContact CG-CB 4.31Å; K900-F932 WeakPolarHBondContact CG-O 3.19Å; K900-F932 PolarHBondContact NZ-O 3.4Å; V930-F932 HydrophobicContact CG1-CE2 4.36Å; F932-R956 CarbonylContact C-O 3.57Å; F932-R956 WeakPolarHBondContact CA-O 3.44Å; F932-R956 HydrophobicContact CD1-CB 4.06Å; F932-R956 HydrophobicContact CE1-CB 4.3Å; F932-R956 HydrophobicContact CG-CB 4.49Å; F932-N959 WeakPolarHBondContact CD1-O 3.38Å; F932-N959 WeakPolarHBondContact CE1-O 3.35Å; F932-F960 HydrophobicContact CB-CD2 4.49Å; F932-F960 AromaticContact CD2-CD2 3.68Å; F932-F960 HydrophobicContact CD2-CD2 3.68Å; F932-F960 HydrophobicContact CD2-CE2 4.19Å; F932-F960 HydrophobicContact CD2-CG 4.44Å; F932-F960 HydrophobicContact CE2-CD2 4.16Å; F932-F960 HydrophobicContact CE2-CE2 4.39Å; F932-F960 HydrophobicContact CG-CD2 4.27Å; F932-E961 HydrophobicContact CE1-CB 4.13Å; F932-E961 HydrophobicContact CZ-CB 4.14Å; F932-E961 WeakPolarHBondContact CZ-O 3.32Å
933E92.1Very high94.9Very high56 Ų5632.1 Ų32.126%0.26216%0.162SC..  trans55.368-177.1-49.4-165.397.500114D931 R955 R956 E957D931-E933 PolarHBondContact O-N 3.13Å; D931-E933 PolarHBondContact OD1-N 3.01Å; E933-R955 HydrophobicContact CG-CG 4.34Å; E933-R955 IonicContact OE1-CZ 2.77Å; E933-R955 IonicContact OE1-NE 3.93Å; E933-R955 PolarHBondContact OE1-NE 2.82Å; E933-R955 IonicContact OE1-NH2 3.61Å; E933-R955 PolarHBondContact OE1-NH2 3.06Å; E933-R956 WeakPolarHBondContact CG-O 3Å; E933-E957 WeakPolarHBondContact OE2-CA 3.42Å
934S91.1Very high94.9Very high12 Ų1235.1 Ų35.18%0.08417%0.167CC..  trans-68.3134.4166.6-56.90000111.2K900 N901 D931 D936K900-S934 WeakPolarHBondContact CA-OG 3.17Å; N901-S934 PolarHBondContact N-OG 3.43Å; N901-S934 WeakPolarHBondContact OD1-CA 3.46Å; D931-S934 WeakPolarHBondContact OD1-CB 3.3Å; D931-S934 PolarHBondContact OD1-N 3.31Å; D931-S934 PolarHBondContact OD1-OG 2.82Å; S934-D936 WeakPolarHBondContact CB-OD1 3.26Å
935E89.8Confident94.8Very high154 Ų15439 Ų3972%0.7218%0.183SC*.SBendtrans-102.6-11.2176.3-68.1-164.7178.100113.6K291 N901K291-E935 WeakPolarHBondContact CE-O 3.16Å; K291-E935 PolarHBondContact NZ-O 2.93Å; N901-E935 PolarHBondContact OD1-N 3.45Å
936D88.1Confident94.7Very high36 Ų3640 Ų4019%0.19319%0.19CC..SBendtrans-81.9-24-172.756.2-10.6000114.4M292 N901 Q902 A903 S934M292-D936 WeakPolarHBondContact CB-O 3.48Å; M292-D936 PolarHBondContact N-O 3.39Å; N901-D936 WeakPolarHBondContact CA-OD2 3.35Å; Q902-D936 PolarHBondContact N-OD2 2.87Å; A903-D936 HydrophobicContact CB-CB 4.08Å; A903-D936 WeakPolarHBondContact CB-OD2 3.27Å; A903-D936 PolarHBondContact N-OD2 3.02Å; S934-D936 WeakPolarHBondContact CB-OD1 3.26Å
937M91.8Very high94.6Very high7 Ų747.7 Ų47.73%0.03422%0.218CC..  trans-151.1149.3178.5175.1169.278.400112.4M292 N293 A903 V906 Q907 V939 A942M292-M937 HydrophobicContact CE-SD 3.97Å; N293-M937 HydrophobicContact CB-CG 4.05Å; N293-M937 HydrophobicContact CB-SD 3.62Å; A903-M937 HydrophobicContact CB-CB 3.35Å; A903-M937 HydrophobicContact CB-CE 4.03Å; A903-M937 HydrophobicContact CB-CG 4.3Å; A903-M937 HydrophobicContact CB-SD 4.1Å; V906-M937 HydrophobicContact CB-CE 3.65Å; V906-M937 HydrophobicContact CG1-CE 3.51Å; Q907-M937 HydrophobicContact CB-SD 4.45Å; M937-V939 HydrophobicContact CE-CG2 3.96Å; M937-V939 PolarHBondContact O-N 2.63Å; M937-A942 HydrophobicContact CE-CB 4.33Å; M937-A942 HydrophobicContact SD-CB 4.16Å
938D93.8Very high94.5Very high82 Ų8248 Ų4844%0.43922%0.22SC..  trans-79.297.5161.5-168.5-37.6000109.4E940 Q941 A942D938-E940 VanDerWaalsContact C-N 3.34Å; D938-E940 PolarHBondContact OD1-N 2.95Å; D938-E940 VanDerWaalsContact OD1-N 3.11Å; D938-Q941 HydrophobicContact CB-CB 3.96Å; D938-Q941 PolarHBondContact OD1-N 3.04Å; D938-A942 PolarHBondContact O-N 3.16Å; D938-A942 VanDerWaalsContact O-N 3.13Å
939V94.7Very high94.3Very high1 Ų149.7 Ų49.71%0.00623%0.231CC..Hα-helixtrans-67.9-33.5-178.5178.30000111.6V906 I929 M937 A942 L943 Y953V906-V939 HydrophobicContact CG1-CG1 4.06Å; V906-V939 HydrophobicContact CG1-CG2 4.41Å; I929-V939 HydrophobicContact CD1-CG1 4.35Å; I929-V939 HydrophobicContact CG2-CG1 4.05Å; M937-V939 HydrophobicContact CE-CG2 3.96Å; M937-V939 PolarHBondContact O-N 2.63Å; V939-A942 PolarHBondContact O-N 3.22Å; V939-L943 HydrophobicContact CG1-CD1 4.2Å; V939-L943 WeakPolarHBondContact O-CG 3.35Å; V939-L943 PolarHBondContact O-N 3.04Å; V939-Y953 HydrophobicContact CB-CD2 4.25Å; V939-Y953 HydrophobicContact CB-CE2 3.77Å; V939-Y953 HydrophobicContact CG1-CD2 3.86Å; V939-Y953 HydrophobicContact CG1-CE2 3.83Å
940E95.5Very high94.2Very high65 Ų6553.7 Ų53.730%0.30425%0.248SC..Hα-helixtrans-72.1-39.6-179.8-155.9-165.7169.200110.9D938 L943 R944 Y953D938-E940 VanDerWaalsContact C-N 3.34Å; D938-E940 PolarHBondContact OD1-N 2.95Å; D938-E940 VanDerWaalsContact OD1-N 3.11Å; E940-L943 PolarHBondContact O-N 3.03Å; E940-R944 VanDerWaalsContact CD-CZ 3.45Å; E940-R944 WeakPolarHBondContact O-CB 3.33Å; E940-R944 WeakPolarHBondContact O-CD 3.33Å; E940-R944 WeakPolarHBondContact O-CG 3.44Å; E940-R944 PolarHBondContact O-N 3.1Å; E940-R944 IonicContact OE1-CZ 2.81Å; E940-R944 VanDerWaalsContact OE1-CZ 3.29Å; E940-R944 IonicContact OE1-NE 3.34Å; E940-R944 PolarHBondContact OE1-NE 3.14Å; E940-R944 IonicContact OE1-NH2 3.7Å; E940-R944 PolarHBondContact OE1-NH2 3.29Å; E940-R944 IonicContact OE2-CZ 2.68Å; E940-R944 IonicContact OE2-NH2 2.79Å; E940-R944 PolarHBondContact OE2-NH2 3.4Å; E940-Y953 HydrophobicContact CB-CD1 3.73Å; E940-Y953 HydrophobicContact CB-CE1 3.92Å; E940-Y953 HydrophobicContact CB-CG 4.1Å; E940-Y953 HydrophobicContact CG-CD1 3.63Å; E940-Y953 HydrophobicContact CG-CE1 4.27Å; E940-Y953 HydrophobicContact CG-CG 4Å
941Q95Very high94.3Very high87 Ų8758 Ų5841%0.40727%0.265SS..Hα-helixtrans-61.6-46.2171.9-175.3176.1-8.500111.4D938 L943 R944 E945D938-Q941 HydrophobicContact CB-CB 3.96Å; D938-Q941 PolarHBondContact OD1-N 3.04Å; Q941-L943 VanDerWaalsContact C-N 3.29Å; Q941-L943 PolarHBondContact O-N 3Å; Q941-R944 PolarHBondContact O-N 3.38Å; Q941-R944 VanDerWaalsContact O-N 3.13Å; Q941-E945 HydrophobicContact CG-CG 4.41Å; Q941-E945 WeakPolarHBondContact CG-OE1 3.38Å; Q941-E945 PolarHBondContact NE2-OE1 3.28Å; Q941-E945 WeakPolarHBondContact O-CG 3.33Å; Q941-E945 PolarHBondContact O-N 3.22Å
942A95.4Very high94.3Very high7 Ų761.1 Ų61.16%0.05828%0.28CS..Hα-helixtrans-58.8-39.7177.900000112.4I910 M937 D938 V939 S946I910-A942 HydrophobicContact CD1-CB 4.02Å; M937-A942 HydrophobicContact CE-CB 4.33Å; M937-A942 HydrophobicContact SD-CB 4.16Å; D938-A942 PolarHBondContact O-N 3.16Å; D938-A942 VanDerWaalsContact O-N 3.13Å; V939-A942 PolarHBondContact O-N 3.22Å; A942-S946 WeakPolarHBondContact O-CB 3.5Å; A942-S946 PolarHBondContact O-N 3.13Å
943L96.3Very high94.6Very high0 Ų062.9 Ų62.90%029%0.286CS..Hα-helixtrans-66.9-42.1173.9-72168.7000112.6I910 I927 I929 V939 E940 Q941 E945 S946 Y951 Y953I910-L943 HydrophobicContact CD1-CD2 3.85Å; I910-L943 HydrophobicContact CD1-CG 4.13Å; I910-L943 HydrophobicContact CG1-CD2 4.03Å; I927-L943 HydrophobicContact CD1-CD2 3.46Å; I927-L943 VanDerWaalsContact CD1-CD2 3.46Å; I927-L943 HydrophobicContact CG1-CD2 4.11Å; I929-L943 HydrophobicContact CD1-CD1 4.21Å; I929-L943 HydrophobicContact CD1-CD2 4.02Å; I929-L943 HydrophobicContact CD1-CG 4.46Å; V939-L943 HydrophobicContact CG1-CD1 4.2Å; V939-L943 WeakPolarHBondContact O-CG 3.35Å; V939-L943 PolarHBondContact O-N 3.04Å; E940-L943 PolarHBondContact O-N 3.03Å; Q941-L943 VanDerWaalsContact C-N 3.29Å; Q941-L943 PolarHBondContact O-N 3Å; L943-E945 VanDerWaalsContact C-N 3.3Å; L943-E945 PolarHBondContact O-N 3.24Å; L943-S946 WeakPolarHBondContact O-CB 3.11Å; L943-S946 PolarHBondContact O-N 3.43Å; L943-S946 PolarHBondContact O-OG 3.23Å; L943-Y951 HydrophobicContact CB-CD1 4.26Å; L943-Y951 HydrophobicContact CB-CD2 3.82Å; L943-Y951 HydrophobicContact CB-CE1 4.29Å; L943-Y951 HydrophobicContact CB-CE2 3.87Å; L943-Y951 HydrophobicContact CB-CG 4.04Å; L943-Y951 HydrophobicContact CD1-CD2 4.06Å; L943-Y951 HydrophobicContact CD2-CG 4.22Å; L943-Y951 HydrophobicContact CG-CD2 4.37Å; L943-Y951 VanDerWaalsContact O-CE1 3.28Å; L943-Y951 WeakPolarHBondContact O-CE1 3.37Å; L943-Y953 HydrophobicContact CD1-CD2 4.31Å; L943-Y953 HydrophobicContact CD1-CG 4.48Å
944R96.2Very high94.8Very high151 Ų15161.6 Ų61.657%0.5728%0.281SS*.Hα-helixtrans-65-29.7177.8-72.4164.6179-177.73.1113.8E940 Q941 Y951E940-R944 VanDerWaalsContact CD-CZ 3.45Å; E940-R944 WeakPolarHBondContact O-CB 3.33Å; E940-R944 WeakPolarHBondContact O-CD 3.33Å; E940-R944 WeakPolarHBondContact O-CG 3.44Å; E940-R944 PolarHBondContact O-N 3.1Å; E940-R944 IonicContact OE1-CZ 2.81Å; E940-R944 VanDerWaalsContact OE1-CZ 3.29Å; E940-R944 IonicContact OE1-NE 3.34Å; E940-R944 PolarHBondContact OE1-NE 3.14Å; E940-R944 IonicContact OE1-NH2 3.7Å; E940-R944 PolarHBondContact OE1-NH2 3.29Å; E940-R944 IonicContact OE2-CZ 2.68Å; E940-R944 IonicContact OE2-NH2 2.79Å; E940-R944 PolarHBondContact OE2-NH2 3.4Å; Q941-R944 PolarHBondContact O-N 3.38Å; Q941-R944 VanDerWaalsContact O-N 3.13Å; R944-Y951 WeakPolarHBondContact CA-OH 3.35Å; R944-Y951 VanDerWaalsContact CG-OH 3.23Å; R944-Y951 WeakPolarHBondContact CG-OH 3.5Å
945E94.9Very high95Very high135 Ų13568 Ų6863%0.63130%0.304SS*.Hα-helixtrans-86.7-13.9177.2-69.4176.3-173.400112.9Q941 L943Q941-E945 HydrophobicContact CG-CG 4.41Å; Q941-E945 WeakPolarHBondContact CG-OE1 3.38Å; Q941-E945 PolarHBondContact NE2-OE1 3.28Å; Q941-E945 WeakPolarHBondContact O-CG 3.33Å; Q941-E945 PolarHBondContact O-N 3.22Å; L943-E945 VanDerWaalsContact C-N 3.3Å; L943-E945 PolarHBondContact O-N 3.24Å
946S95.8Very high95.2Very high21 Ų2166.1 Ų66.115%0.14729%0.29CS..SBendtrans-76.6161.1-179.281.40000114.3E914 A942 L943 V948E914-S946 WeakPolarHBondContact OE1-CA 3.32Å; A942-S946 WeakPolarHBondContact O-CB 3.5Å; A942-S946 PolarHBondContact O-N 3.13Å; L943-S946 WeakPolarHBondContact O-CB 3.11Å; L943-S946 PolarHBondContact O-N 3.43Å; L943-S946 PolarHBondContact O-OG 3.23Å; S946-V948 PolarHBondContact OG-N 3.1Å
947R95.2Very high95.4Very high172 Ų17272.6 Ų72.665%0.64932%0.319SS*.  trans-93.611.1174.1-56.4172.8-173.3170.35.5113.5E914E914-R947 HydrophobicContact CG-CB 4.17Å; E914-R947 WeakPolarHBondContact OE1-CB 3.46Å; E914-R947 WeakPolarHBondContact OE1-CG 3.36Å; E914-R947 PolarHBondContact OE1-N 3.2Å
948V95.6Very high95.1Very high8 Ų873.9 Ų73.95%0.04833%0.334CS..  trans-67.2127.8178.2-176.20000108.6I910 M913 E914 F925 I927 S946 K950I910-V948 HydrophobicContact CG2-CG2 4.41Å; M913-V948 HydrophobicContact CB-CG2 4.1Å; E914-V948 HydrophobicContact CG-CG2 3.77Å; F925-V948 HydrophobicContact CE2-CG1 4.1Å; F925-V948 HydrophobicContact CZ-CG1 4.39Å; I927-V948 HydrophobicContact CD1-CB 4.32Å; I927-V948 HydrophobicContact CD1-CG1 3.91Å; I927-V948 HydrophobicContact CD1-CG2 4.09Å; I927-V948 HydrophobicContact CG1-CG1 4.01Å; I927-V948 HydrophobicContact CG2-CG1 4.35Å; S946-V948 PolarHBondContact OG-N 3.1Å; V948-K950 VanDerWaalsContact C-N 3.26Å; V948-K950 PolarHBondContact O-N 3.28Å; V948-K950 VanDerWaalsContact O-N 3.14Å
949P93.8Very high94.7Very high37 Ų3775.5 Ų75.524%0.2434%0.343CS..SBendtrans-65.2-26.7-164.923.3-35.1000114F925F925-P949 HydrophobicContact CD1-CG 4.07Å; F925-P949 HydrophobicContact CE1-CG 3.64Å; F925-P949 HydrophobicContact CZ-CG 3.97Å
950K97.3Very high94.3Very high85 Ų8577.4 Ų77.437%0.3735%0.351SS..  trans-151.7136.9179.1-60.7176.4-177.4610109.7M892 D923 S926 I927 V948M892-K950 HydrophobicContact CE-CD 3.77Å; M892-K950 HydrophobicContact SD-CD 4.11Å; D923-K950 PolarHBondContact O-NZ 2.91Å; S926-K950 WeakPolarHBondContact CA-O 3.01Å; S926-K950 WeakPolarHBondContact CB-O 3.33Å; I927-K950 PolarHBondContact N-O 3.42Å; I927-K950 VanDerWaalsContact N-O 3.15Å; V948-K950 VanDerWaalsContact C-N 3.26Å; V948-K950 PolarHBondContact O-N 3.28Å; V948-K950 VanDerWaalsContact O-N 3.14Å
951Y97.9Very high94Very high91 Ų9176.1 Ų76.136%0.35735%0.345SS..EExtended strand (participates in β ladder)trans-145163.6171.764.4-96.8000112.6I927 L943 R944I927-Y951 CarbonylContact O-C 3.5Å; I927-Y951 WeakPolarHBondContact O-CA 3.48Å; L943-Y951 HydrophobicContact CB-CD1 4.26Å; L943-Y951 HydrophobicContact CB-CD2 3.82Å; L943-Y951 HydrophobicContact CB-CE1 4.29Å; L943-Y951 HydrophobicContact CB-CE2 3.87Å; L943-Y951 HydrophobicContact CB-CG 4.04Å; L943-Y951 HydrophobicContact CD1-CD2 4.06Å; L943-Y951 HydrophobicContact CD2-CG 4.22Å; L943-Y951 HydrophobicContact CG-CD2 4.37Å; L943-Y951 VanDerWaalsContact O-CE1 3.28Å; L943-Y951 WeakPolarHBondContact O-CE1 3.37Å; R944-Y951 WeakPolarHBondContact CA-OH 3.35Å; R944-Y951 VanDerWaalsContact CG-OH 3.23Å; R944-Y951 WeakPolarHBondContact CG-OH 3.5Å
952E97.7Very high93.7Very high68 Ų6872.8 Ų72.832%0.31833%0.329SS..EExtended strand (participates in β ladder)trans-137.2139.7165.9-172.8168.7-152.200109.4I927 I928 I929 L954 T972I927-E952 PolarHBondContact O-N 2.96Å; I928-E952 WeakPolarHBondContact CA-O 3.5Å; I928-E952 HydrophobicContact CG1-CB 4.26Å; I928-E952 HydrophobicContact CG2-CB 4.31Å; I929-E952 PolarHBondContact N-O 3.45Å; E952-L954 HydrophobicContact CG-CD2 4.14Å; E952-L954 HydrophobicContact CG-CG 4.29Å; E952-T972 WeakPolarHBondContact OE1-CB 3.3Å; E952-T972 WeakPolarHBondContact OE2-CB 3.22Å; E952-T972 PolarHBondContact OE2-OG1 2.93Å
953Y97.9Very high93.6Very high45 Ų4572.6 Ų72.618%0.17633%0.327CS..EExtended strand (participates in β ladder)trans-122.6128.1179.9170.1-102.4000109.8D931 V939 E940 L943 R955D931-Y953 HydrophobicContact CB-CD2 4.37Å; D931-Y953 HydrophobicContact CB-CE2 3.45Å; D931-Y953 VanDerWaalsContact CB-CE2 3.45Å; D931-Y953 PolarHBondContact OD2-OH 3Å; V939-Y953 HydrophobicContact CB-CD2 4.25Å; V939-Y953 HydrophobicContact CB-CE2 3.77Å; V939-Y953 HydrophobicContact CG1-CD2 3.86Å; V939-Y953 HydrophobicContact CG1-CE2 3.83Å; E940-Y953 HydrophobicContact CB-CD1 3.73Å; E940-Y953 HydrophobicContact CB-CE1 3.92Å; E940-Y953 HydrophobicContact CB-CG 4.1Å; E940-Y953 HydrophobicContact CG-CD1 3.63Å; E940-Y953 HydrophobicContact CG-CE1 4.27Å; E940-Y953 HydrophobicContact CG-CG 4Å; L943-Y953 HydrophobicContact CD1-CD2 4.31Å; L943-Y953 HydrophobicContact CD1-CG 4.48Å; Y953-R955 HydrophobicContact CE1-CB 3.98Å
954L97.6Very high93.4Very high29 Ų2973.2 Ų73.215%0.15233%0.332CS..EExtended strand (participates in β ladder)trans-129.695.3-174.3-58.8175.8000110.7I928 I929 V930 D931 E952 I968 T972I928-L954 HydrophobicContact CG2-CD1 4.2Å; I929-L954 PolarHBondContact O-N 2.96Å; V930-L954 CarbonylContact C-O 3.51Å; V930-L954 WeakPolarHBondContact CA-O 3.11Å; V930-L954 HydrophobicContact CG1-CB 4.3Å; V930-L954 HydrophobicContact CG2-CB 4.33Å; V930-L954 HydrophobicContact CG2-CD1 4.14Å; D931-L954 PolarHBondContact N-O 2.88Å; E952-L954 HydrophobicContact CG-CD2 4.14Å; E952-L954 HydrophobicContact CG-CG 4.29Å; L954-I968 HydrophobicContact CD1-CG2 3.99Å; L954-T972 HydrophobicContact CD1-CG2 3.57Å; L954-T972 HydrophobicContact CD2-CG2 4.06Å; L954-T972 HydrophobicContact CG-CG2 4.45Å
955R96Very high93.3Very high148 Ų14866 Ų6656%0.55831%0.305SS*.EExtended strand (participates in β ladder)trans-70.3138172.8-172.2174171.5138.8-0.7111.6D931 E933 Y953D931-R955 CarbonylContact O-C 3.44Å; D931-R955 WeakPolarHBondContact O-CA 3.45Å; E933-R955 HydrophobicContact CG-CG 4.34Å; E933-R955 IonicContact OE1-CZ 2.77Å; E933-R955 IonicContact OE1-NE 3.93Å; E933-R955 PolarHBondContact OE1-NE 2.82Å; E933-R955 IonicContact OE1-NH2 3.61Å; E933-R955 PolarHBondContact OE1-NH2 3.06Å; Y953-R955 HydrophobicContact CE1-CB 3.98Å
956R93.9Very high93.4Very high113 Ų11359.6 Ų59.643%0.42628%0.275SS..  trans-138.1126.6179.6-68.2-61.3-178168.62.9112V930 D931 F932 E933 I968V930-R956 HydrophobicContact CG1-CG 4Å; D931-R956 PolarHBondContact O-N 3.31Å; F932-R956 CarbonylContact C-O 3.57Å; F932-R956 WeakPolarHBondContact CA-O 3.44Å; F932-R956 HydrophobicContact CD1-CB 4.06Å; F932-R956 HydrophobicContact CE1-CB 4.3Å; F932-R956 HydrophobicContact CG-CB 4.49Å; E933-R956 WeakPolarHBondContact CG-O 3Å; R956-I968 HydrophobicContact CG-CD1 4.34Å
957E90.3Very high93.4Very high172 Ų17259.9 Ų59.980%0.80427%0.274SS*.  trans-72.1141.4-179.9-60.6177.8-17900112.5E933E933-E957 WeakPolarHBondContact OE2-CA 3.42Å
958G85.8Confident93.5Very high35 Ų3553.4 Ų53.436%0.36125%0.252SS..SBendtrans107.8-146.8167.900000117.1K900K900-G958 PolarHBondContact NZ-O 2.94Å
959N85.8Confident93.6Very high115 Ų11553 Ų5362%0.61525%0.25SC*.SBendtrans-77.2151.3-178.2-72.32000111F932 E961F932-N959 WeakPolarHBondContact CD1-O 3.38Å; F932-N959 WeakPolarHBondContact CE1-O 3.35Å; N959-E961 PolarHBondContact O-N 3.22Å
960F87.3Confident93.8Very high41 Ų4151.3 Ų51.318%0.1824%0.238CC..  trans-71.8126.1174.6177.3-86.1000111.3P898 K900 F932 R962 W1058 L1100P898-F960 HydrophobicContact CB-CE2 3.86Å; P898-F960 HydrophobicContact CB-CZ 4.03Å; P898-F960 HydrophobicContact CG-CE2 4.31Å; P898-F960 HydrophobicContact CG-CZ 4.01Å; K900-F960 HydrophobicContact CB-CB 4.19Å; K900-F960 HydrophobicContact CB-CD2 3.83Å; K900-F960 HydrophobicContact CB-CG 4.41Å; K900-F960 HydrophobicContact CD-CB 3.94Å; F932-F960 HydrophobicContact CB-CD2 4.49Å; F932-F960 AromaticContact CD2-CD2 3.68Å; F932-F960 HydrophobicContact CD2-CD2 3.68Å; F932-F960 HydrophobicContact CD2-CE2 4.19Å; F932-F960 HydrophobicContact CD2-CG 4.44Å; F932-F960 HydrophobicContact CE2-CD2 4.16Å; F932-F960 HydrophobicContact CE2-CE2 4.39Å; F932-F960 HydrophobicContact CG-CD2 4.27Å; F960-R962 HydrophobicContact CE1-CB 3.85Å; F960-R962 HydrophobicContact CZ-CB 4.24Å; F960-W1058 HydrophobicContact CD1-CZ3 4.47Å; F960-W1058 HydrophobicContact CE1-CE3 4.43Å; F960-W1058 HydrophobicContact CE1-CH2 4.46Å; F960-W1058 AromaticContact CE1-CZ3 3.66Å; F960-W1058 HydrophobicContact CE1-CZ3 3.66Å; F960-W1058 HydrophobicContact CZ-CZ3 4.38Å; F960-L1100 HydrophobicContact CB-CD2 3.89Å; F960-L1100 HydrophobicContact CD1-CD2 4.39Å; F960-L1100 HydrophobicContact CD2-CD2 4.29Å; F960-L1100 HydrophobicContact CG-CD2 3.93Å
961E89.1Confident93.8Very high39 Ų3951.9 Ų51.918%0.18225%0.245CC..  trans-129.996.1-179.7-67.4176.6-157.500109.7F932 N959 S963 A964 G965 K1055F932-E961 HydrophobicContact CE1-CB 4.13Å; F932-E961 HydrophobicContact CZ-CB 4.14Å; F932-E961 WeakPolarHBondContact CZ-O 3.32Å; N959-E961 PolarHBondContact O-N 3.22Å; E961-S963 PolarHBondContact O-N 2.71Å; E961-A964 HydrophobicContact CB-CB 3.77Å; E961-A964 PolarHBondContact O-N 2.89Å; E961-G965 PolarHBondContact O-N 3.09Å; E961-K1055 HydrophobicContact CG-CG 4.19Å; E961-K1055 WeakPolarHBondContact OE1-CE 3.13Å; E961-K1055 IonicContact OE1-NZ 3.95Å; E961-K1055 WeakPolarHBondContact OE2-CE 3.22Å; E961-K1055 WeakPolarHBondContact OE2-CG 3.43Å
962R89Confident93.8Very high17 Ų1749.1 Ų49.16%0.06424%0.238CC..Hα-helixtrans-51.6-51.5-173-169.2-179.4-175.5-88.8-6.9112.2P898 F960 G965 L966 D984 G1034 W1058 E1061P898-R962 HydrophobicContact CG-CG 4.11Å; F960-R962 HydrophobicContact CE1-CB 3.85Å; F960-R962 HydrophobicContact CZ-CB 4.24Å; R962-G965 PolarHBondContact O-N 3.37Å; R962-L966 HydrophobicContact CG-CD1 4.13Å; R962-L966 WeakPolarHBondContact O-CB 3.48Å; R962-L966 WeakPolarHBondContact O-CG 3.32Å; R962-L966 PolarHBondContact O-N 2.93Å; R962-D984 IonicContact CZ-OD1 3.57Å; R962-D984 VanDerWaalsContact CZ-OD1 3.31Å; R962-D984 IonicContact NE-OD1 2.71Å; R962-D984 PolarHBondContact NE-OD1 2.79Å; R962-D984 VanDerWaalsContact NE-OD1 3.09Å; R962-D984 IonicContact NH2-OD1 3.81Å; R962-D984 PolarHBondContact NH2-OD1 3.26Å; R962-D984 IonicContact NH2-OD2 3.54Å; R962-G1034 PolarHBondContact NH2-O 3.48Å; R962-G1034 VanDerWaalsContact NH2-O 3.07Å; R962-W1058 HydrophobicContact CB-CZ3 4.47Å; R962-E1061 WeakPolarHBondContact CD-OE1 3.41Å; R962-E1061 IonicContact CZ-OE1 3.76Å; R962-E1061 IonicContact NE-OE1 3.82Å; R962-E1061 IonicContact NH1-OE1 2.71Å; R962-E1061 PolarHBondContact NH1-OE1 3.13Å
963S91.8Very high93.8Very high2 Ų246.5 Ų46.51%0.01423%0.226CC..Hα-helixtrans-65.3-40.3-176.6-51.30000112.6E961 Q967 M1049 F1054E961-S963 PolarHBondContact O-N 2.71Å; S963-Q967 WeakPolarHBondContact O-CB 3.36Å; S963-Q967 PolarHBondContact O-N 3.13Å; S963-M1049 WeakPolarHBondContact O-CB 3.36Å; S963-F1054 WeakPolarHBondContact CB-O 3.43Å; S963-F1054 WeakPolarHBondContact OG-CB 3.44Å; S963-F1054 PolarHBondContact OG-O 3.22Å
964A93.2Very high93.7Very high13 Ų1353.8 Ų53.811%0.10726%0.259CS..Hα-helixtrans-71.1-41.1177.400000111.4E961 Q967 I968 T1051E961-A964 HydrophobicContact CB-CB 3.77Å; E961-A964 PolarHBondContact O-N 2.89Å; A964-Q967 PolarHBondContact O-N 3.02Å; A964-I968 VanDerWaalsContact O-CB 3.29Å; A964-I968 WeakPolarHBondContact O-CB 3.3Å; A964-I968 WeakPolarHBondContact O-CD1 3.43Å; A964-I968 WeakPolarHBondContact O-CG1 3.24Å; A964-I968 PolarHBondContact O-N 2.77Å; A964-T1051 HydrophobicContact CB-CG2 4.27Å
965G93.9Very high93.7Very high0 Ų056 Ų560%027%0.271CS..Hα-helixtrans-61.3-45.7175.700000112.5V930 E961 R962 I968 G969V930-G965 WeakPolarHBondContact CG2-O 3.35Å; E961-G965 PolarHBondContact O-N 3.09Å; R962-G965 PolarHBondContact O-N 3.37Å; G965-I968 PolarHBondContact O-N 3.33Å; G965-G969 PolarHBondContact O-N 3.05Å
966L95.6Very high93.8Very high0 Ų051.3 Ų51.30%026%0.26CS..Hα-helixtrans-60-46.4173.1-72.3171.9000111.8V896 P898 R962 I968 G969 V970 L982 M1049V896-L966 HydrophobicContact CB-CD2 4.46Å; V896-L966 HydrophobicContact CG1-CD2 4.24Å; V896-L966 WeakPolarHBondContact O-CD2 3.18Å; P898-L966 HydrophobicContact CG-CD2 4.35Å; P898-L966 HydrophobicContact CG-CG 4.19Å; R962-L966 HydrophobicContact CG-CD1 4.13Å; R962-L966 WeakPolarHBondContact O-CB 3.48Å; R962-L966 WeakPolarHBondContact O-CG 3.32Å; R962-L966 PolarHBondContact O-N 2.93Å; L966-I968 PolarHBondContact O-N 2.74Å; L966-G969 PolarHBondContact O-N 3.27Å; L966-V970 VanDerWaalsContact O-CG2 3.3Å; L966-V970 WeakPolarHBondContact O-CG2 3.49Å; L966-V970 PolarHBondContact O-N 3.15Å; L966-L982 HydrophobicContact CB-CD2 4.45Å; L966-L982 HydrophobicContact CD2-CB 4.25Å; L966-L982 HydrophobicContact CD2-CD2 4.06Å; L966-M1049 HydrophobicContact CB-CG 4.11Å; L966-M1049 HydrophobicContact CD1-CE 4.2Å
967Q96.9Very high93.9Very high28 Ų2850 Ų5013%0.13126%0.259CS..Hα-helixtrans-60.3-47.3177-175.358.344.200111.9S963 A964 G969 V970 D971 M1049 T1051S963-Q967 WeakPolarHBondContact O-CB 3.36Å; S963-Q967 PolarHBondContact O-N 3.13Å; A964-Q967 PolarHBondContact O-N 3.02Å; Q967-G969 VanDerWaalsContact C-N 3.34Å; Q967-G969 PolarHBondContact O-N 3.18Å; Q967-V970 PolarHBondContact O-N 2.84Å; Q967-V970 VanDerWaalsContact O-N 3.07Å; Q967-D971 VanDerWaalsContact NE2-CG 3.31Å; Q967-D971 PolarHBondContact NE2-OD1 2.98Å; Q967-D971 PolarHBondContact NE2-OD2 2.93Å; Q967-D971 VanDerWaalsContact O-CG 3.31Å; Q967-D971 PolarHBondContact O-N 2.85Å; Q967-M1049 HydrophobicContact CB-CB 4.19Å; Q967-M1049 HydrophobicContact CB-CG 4.29Å; Q967-T1051 HydrophobicContact CB-CG2 3.84Å; Q967-T1051 HydrophobicContact CG-CG2 4.23Å
968I96.7Very high94.3Very high36 Ų3641.9 Ų41.919%0.18522%0.221CC..Hα-helixtrans-58.5-43.3179.4-77.2163.7000111.9V930 L954 R956 A964 G965 L966 V970 D971V930-I968 HydrophobicContact CG1-CB 4.4Å; V930-I968 HydrophobicContact CG1-CG2 3.84Å; V930-I968 HydrophobicContact CG2-CG2 4.47Å; L954-I968 HydrophobicContact CD1-CG2 3.99Å; R956-I968 HydrophobicContact CG-CD1 4.34Å; A964-I968 VanDerWaalsContact O-CB 3.29Å; A964-I968 WeakPolarHBondContact O-CB 3.3Å; A964-I968 WeakPolarHBondContact O-CD1 3.43Å; A964-I968 WeakPolarHBondContact O-CG1 3.24Å; A964-I968 PolarHBondContact O-N 2.77Å; G965-I968 PolarHBondContact O-N 3.33Å; L966-I968 PolarHBondContact O-N 2.74Å; I968-V970 VanDerWaalsContact C-N 3.3Å; I968-D971 PolarHBondContact O-N 3.11Å
969G97.5Very high94.9Very high0 Ų040.2 Ų40.20%020%0.204CC..Hα-helixtrans-73.8-19.9177.500000113.7I928 G965 L966 Q967 T972I928-G969 WeakPolarHBondContact CD1-O 3.41Å; G965-G969 PolarHBondContact O-N 3.05Å; L966-G969 PolarHBondContact O-N 3.27Å; Q967-G969 VanDerWaalsContact C-N 3.34Å; Q967-G969 PolarHBondContact O-N 3.18Å; G969-T972 PolarHBondContact O-OG1 3.12Å
970V98.1Very high95.5Very high0 Ų034.7 Ų34.70%017%0.174CC..Hα-helixtrans-82.1-35.9170.2175.50000111.4V896 L966 Q967 I968 T972 I973 V980 L982 K1040 F1043V896-V970 HydrophobicContact CG2-CG2 4.09Å; L966-V970 VanDerWaalsContact O-CG2 3.3Å; L966-V970 WeakPolarHBondContact O-CG2 3.49Å; L966-V970 PolarHBondContact O-N 3.15Å; Q967-V970 PolarHBondContact O-N 2.84Å; Q967-V970 VanDerWaalsContact O-N 3.07Å; I968-V970 VanDerWaalsContact C-N 3.3Å; V970-T972 PolarHBondContact O-N 2.93Å; V970-T972 VanDerWaalsContact O-N 3.17Å; V970-I973 VanDerWaalsContact O-CB 3.31Å; V970-I973 WeakPolarHBondContact O-CB 3.41Å; V970-I973 PolarHBondContact O-N 3.45Å; V970-V980 HydrophobicContact CG1-CG2 4.02Å; V970-V980 HydrophobicContact CG2-CG1 3.54Å; V970-V980 HydrophobicContact CG2-CG2 4.31Å; V970-L982 HydrophobicContact CG2-CD2 3.82Å; V970-K1040 HydrophobicContact CG1-CD 3.53Å; V970-K1040 WeakPolarHBondContact O-CE 3.47Å; V970-F1043 HydrophobicContact CB-CE1 3.92Å; V970-F1043 HydrophobicContact CB-CZ 4.41Å; V970-F1043 HydrophobicContact CG1-CD1 3.56Å; V970-F1043 HydrophobicContact CG1-CE1 3.44Å; V970-F1043 VanDerWaalsContact CG1-CE1 3.44Å; V970-F1043 HydrophobicContact CG1-CG 4.46Å; V970-F1043 HydrophobicContact CG1-CZ 4.28Å; V970-F1043 HydrophobicContact CG2-CE1 4.23Å; V970-F1043 HydrophobicContact CG2-CZ 4.29Å
971D97.7Very high96Very high98 Ų9832.8 Ų32.852%0.52417%0.166SC..Hα-helixtrans-65.6-17.1-176.7-75.3-29.2000114.5Q967 I968Q967-D971 VanDerWaalsContact NE2-CG 3.31Å; Q967-D971 PolarHBondContact NE2-OD1 2.98Å; Q967-D971 PolarHBondContact NE2-OD2 2.93Å; Q967-D971 VanDerWaalsContact O-CG 3.31Å; Q967-D971 PolarHBondContact O-N 2.85Å; I968-D971 PolarHBondContact O-N 3.11Å
972T97.6Very high96.3Very high33 Ų3331.1 Ų31.120%0.20216%0.158CC..THydrogen-bonded Turntrans-79.3-18.1172.6620000113.7E952 L954 G969 V970 K974E952-T972 WeakPolarHBondContact OE1-CB 3.3Å; E952-T972 WeakPolarHBondContact OE2-CB 3.22Å; E952-T972 PolarHBondContact OE2-OG1 2.93Å; L954-T972 HydrophobicContact CD1-CG2 3.57Å; L954-T972 HydrophobicContact CD2-CG2 4.06Å; L954-T972 HydrophobicContact CG-CG2 4.45Å; G969-T972 PolarHBondContact O-OG1 3.12Å; V970-T972 PolarHBondContact O-N 2.93Å; V970-T972 VanDerWaalsContact O-N 3.17Å; T972-K974 PolarHBondContact O-N 3.2Å; T972-K974 VanDerWaalsContact O-N 3.11Å
973I97.9Very high96.5Very high12 Ų1230.3 Ų30.36%0.06216%0.155CC..  trans-73.2104-177.9-58.3170.6000109.7H894 V896 I928 V970 S978 V980 K1040H894-I973 HydrophobicContact CB-CD1 3.59Å; H894-I973 HydrophobicContact CB-CG1 4.36Å; V896-I973 HydrophobicContact CG2-CD1 4.42Å; I928-I973 HydrophobicContact CD1-CD1 3.91Å; I928-I973 HydrophobicContact CD1-CG1 3.66Å; V970-I973 VanDerWaalsContact O-CB 3.31Å; V970-I973 WeakPolarHBondContact O-CB 3.41Å; V970-I973 PolarHBondContact O-N 3.45Å; I973-S978 VanDerWaalsContact CG2-OG 3.27Å; I973-S978 WeakPolarHBondContact CG2-OG 3.27Å; I973-V980 HydrophobicContact CD1-CG2 3.83Å; I973-K1040 HydrophobicContact CB-CD 4.14Å; I973-K1040 HydrophobicContact CB-CG 4.5Å; I973-K1040 HydrophobicContact CG2-CB 4.39Å; I973-K1040 HydrophobicContact CG2-CD 4.23Å; I973-K1040 HydrophobicContact CG2-CG 4.1Å; I973-K1040 WeakPolarHBondContact O-CE 3.46Å
974K96.6Very high96.2Very high199 Ų19931.8 Ų31.887%0.86516%0.163SC*.  trans-81.3-25.3-175.7-68.5159.2-162.2165.50114.2T972 S976T972-K974 PolarHBondContact O-N 3.2Å; T972-K974 VanDerWaalsContact O-N 3.11Å; K974-S976 PolarHBondContact O-N 3.36Å
975D97.6Very high96.1Very high76 Ų7631.8 Ų31.841%0.40616%0.161SC..  trans-82.8114.3175.5-178.217.8000110.1H977 S978 K1040D975-H977 PolarHBondContact O-N 2.88Å; D975-H977 WeakPolarHBondContact OD1-CA 3.32Å; D975-H977 WeakPolarHBondContact OD1-CB 3.13Å; D975-H977 PolarHBondContact OD1-N 3.07Å; D975-S978 PolarHBondContact O-OG 2.93Å; D975-S978 VanDerWaalsContact O-OG 3.12Å; D975-S978 PolarHBondContact OD2-N 3.25Å; D975-K1040 WeakPolarHBondContact O-CB 3.17Å
976S97Very high95.9Very high48 Ų4832.4 Ų32.434%0.33616%0.164SC..THydrogen-bonded Turntrans-67.6-20.2173.956.70000112.8K974 S1041K974-S976 PolarHBondContact O-N 3.36Å; S976-S1041 VanDerWaalsContact O-CB 3.27Å; S976-S1041 WeakPolarHBondContact O-CB 3.34Å; S976-S1041 PolarHBondContact O-N 3.17Å
977H97Very high95.6Very high87 Ų8732.6 Ų32.640%0.40317%0.165SC..THydrogen-bonded Turntrans-98.713.1-176-63.3-63.3000113.9R888 D975 E1003 Y1039R888-H977 PolarHBondContact NH1-O 3.26Å; R888-H977 PolarHBondContact NH2-O 3.46Å; D975-H977 PolarHBondContact O-N 2.88Å; D975-H977 WeakPolarHBondContact OD1-CA 3.32Å; D975-H977 WeakPolarHBondContact OD1-CB 3.13Å; D975-H977 PolarHBondContact OD1-N 3.07Å; H977-E1003 IonicContact CE1-OE1 3.43Å; H977-E1003 PolarHBondContact CE1-OE1 3.36Å; H977-E1003 IonicContact CE1-OE2 2.61Å; H977-E1003 IonicContact CG-OE2 3.93Å; H977-E1003 VanDerWaalsContact ND1-CD 3.3Å; H977-E1003 IonicContact ND1-OE1 2.69Å; H977-E1003 PolarHBondContact ND1-OE1 3.13Å; H977-E1003 IonicContact ND1-OE2 3.22Å; H977-E1003 PolarHBondContact ND1-OE2 3.12Å; H977-Y1039 WeakPolarHBondContact O-CE1 3.28Å
978S98Very high95.1Very high0 Ų033.5 Ų33.50%017%0.169CC..SBendtrans-90.8167.4167.472.60000112.2M892 H894 I973 D975 Y1039 K1040M892-S978 WeakPolarHBondContact O-CB 3.21Å; H894-S978 PolarHBondContact CD2-OG 3.26Å; H894-S978 VanDerWaalsContact NE2-CB 3.3Å; H894-S978 WeakPolarHBondContact NE2-CB 3.26Å; H894-S978 PolarHBondContact NE2-OG 3.19Å; I973-S978 VanDerWaalsContact CG2-OG 3.27Å; I973-S978 WeakPolarHBondContact CG2-OG 3.27Å; D975-S978 PolarHBondContact O-OG 2.93Å; D975-S978 VanDerWaalsContact O-OG 3.12Å; D975-S978 PolarHBondContact OD2-N 3.25Å; S978-Y1039 WeakPolarHBondContact O-CA 3.47Å; S978-Y1039 VanDerWaalsContact O-CD1 3.24Å; S978-Y1039 WeakPolarHBondContact O-CD1 3.12Å; S978-K1040 PolarHBondContact O-N 2.64Å
979I98.6Very high94.7Very high0 Ų032.1 Ų32.10%016%0.162CC..EExtended strand (participates in β ladder)trans-102.2127.4175.5-63.3159.3000109.1V891 M892 V893 H894 I997 R998 C1001 Y1039V891-I979 HydrophobicContact CB-CD1 4.2Å; V891-I979 HydrophobicContact CG1-CD1 3.92Å; V891-I979 HydrophobicContact CG1-CG1 3.91Å; M892-I979 PolarHBondContact O-N 3.27Å; V893-I979 CarbonylContact C-O 3.54Å; V893-I979 WeakPolarHBondContact CA-O 2.98Å; V893-I979 HydrophobicContact CG2-CB 4.49Å; H894-I979 PolarHBondContact N-O 2.96Å; I979-I997 HydrophobicContact CD1-CG2 4.48Å; I979-I997 HydrophobicContact CG2-CG2 3.62Å; I979-R998 HydrophobicContact CD1-CG 4.12Å; I979-C1001 HydrophobicContact CD1-CB 3.77Å; I979-C1001 HydrophobicContact CG1-CB 4.02Å; I979-C1001 HydrophobicContact CG2-CB 4.26Å; I979-Y1039 HydrophobicContact CD1-CE1 4.34Å; I979-Y1039 HydrophobicContact CD1-CE2 4.19Å; I979-Y1039 HydrophobicContact CG1-CD1 4Å; I979-Y1039 HydrophobicContact CG1-CD2 4.16Å; I979-Y1039 HydrophobicContact CG1-CE1 3.68Å; I979-Y1039 HydrophobicContact CG1-CE2 3.87Å; I979-Y1039 HydrophobicContact CG1-CG 4.23Å
980V98.3Very high94.3Very high0 Ų032.3 Ų32.30%016%0.163CC..EExtended strand (participates in β ladder)trans-84.7133.8165-179.30000108.3V896 V970 I973 L982 G1037 I1038 K1040V896-V980 HydrophobicContact CG2-CG1 4.14Å; V970-V980 HydrophobicContact CG1-CG2 4.02Å; V970-V980 HydrophobicContact CG2-CG1 3.54Å; V970-V980 HydrophobicContact CG2-CG2 4.31Å; I973-V980 HydrophobicContact CD1-CG2 3.83Å; V980-L982 HydrophobicContact CG1-CD2 3.52Å; V980-L982 HydrophobicContact CG1-CG 4.11Å; V980-G1037 CarbonylContact O-C 3.41Å; V980-G1037 VanDerWaalsContact O-CA 3.28Å; V980-G1037 WeakPolarHBondContact O-CA 3.22Å; V980-I1038 HydrophobicContact CB-CG2 4.39Å; V980-I1038 PolarHBondContact N-O 2.75Å; V980-I1038 PolarHBondContact O-N 2.96Å; V980-K1040 HydrophobicContact CG2-CB 4.19Å; V980-K1040 HydrophobicContact CG2-CD 4.07Å
981F97.9Very high93.9Very high0 Ų034.9 Ų34.90%018%0.176CC..EExtended strand (participates in β ladder)trans-119.6103.2164.8-167.2-100.4000108.9V893 H894 F895 V896 C983 F989 I997 F1008 P1010 L1035 F1036V893-F981 HydrophobicContact CG1-CB 4.23Å; H894-F981 PolarHBondContact O-N 2.77Å; F895-F981 WeakPolarHBondContact CA-O 3.39Å; F895-F981 HydrophobicContact CD1-CB 4.45Å; F895-F981 AromaticContact CD1-CD1 3.64Å; F895-F981 HydrophobicContact CD1-CD1 3.64Å; F895-F981 HydrophobicContact CD1-CE1 4.37Å; F895-F981 HydrophobicContact CD1-CG 4.41Å; F895-F981 AromaticContact CE1-CD1 3.71Å; F895-F981 HydrophobicContact CE1-CD1 3.71Å; F895-F981 HydrophobicContact CE1-CE1 4.19Å; F895-F981 HydrophobicContact CE1-CG 4.38Å; V896-F981 PolarHBondContact N-O 3.19Å; F981-C983 HydrophobicContact CD1-CB 3.84Å; F981-C983 HydrophobicContact CE1-CB 3.69Å; F981-F989 HydrophobicContact CE1-CE1 4.04Å; F981-I997 HydrophobicContact CB-CD1 4.12Å; F981-I997 HydrophobicContact CD1-CD1 4.14Å; F981-I997 HydrophobicContact CD2-CD1 3.47Å; F981-I997 VanDerWaalsContact CD2-CD1 3.47Å; F981-I997 HydrophobicContact CD2-CG1 3.71Å; F981-I997 HydrophobicContact CD2-CG2 4.45Å; F981-I997 HydrophobicContact CE1-CD1 4.44Å; F981-I997 HydrophobicContact CE2-CD1 3.85Å; F981-I997 HydrophobicContact CE2-CG1 3.87Å; F981-I997 HydrophobicContact CG-CD1 3.64Å; F981-I997 HydrophobicContact CG-CG1 4.38Å; F981-I997 HydrophobicContact CZ-CD1 4.31Å; F981-F1008 HydrophobicContact CE2-CD1 4.42Å; F981-P1010 HydrophobicContact CE2-CG 4.3Å; F981-P1010 HydrophobicContact CZ-CG 4.08Å; F981-L1035 HydrophobicContact CZ-CB 4.3Å; F981-F1036 WeakPolarHBondContact CA-O 3.44Å
982L96Very high93.5Very high5 Ų530.7 Ų30.73%0.02615%0.154CC..EExtended strand (participates in β ladder)trans-73.4129.5172-49.9178.6000107.7V896 L966 V970 V980 L1035 F1036 F1043 M1049 L1065V896-L982 HydrophobicContact CB-CD2 4.45Å; L966-L982 HydrophobicContact CB-CD2 4.45Å; L966-L982 HydrophobicContact CD2-CB 4.25Å; L966-L982 HydrophobicContact CD2-CD2 4.06Å; V970-L982 HydrophobicContact CG2-CD2 3.82Å; V980-L982 HydrophobicContact CG1-CD2 3.52Å; V980-L982 HydrophobicContact CG1-CG 4.11Å; L982-L1035 CarbonylContact O-C 3.57Å; L982-L1035 WeakPolarHBondContact O-CA 3.27Å; L982-F1036 HydrophobicContact CB-CB 4.34Å; L982-F1036 HydrophobicContact CD1-CB 4.36Å; L982-F1036 PolarHBondContact N-O 3.14Å; L982-F1036 PolarHBondContact O-N 3.43Å; L982-F1043 HydrophobicContact CD1-CE2 4.13Å; L982-M1049 HydrophobicContact CD1-SD 4.01Å; L982-L1065 HydrophobicContact CD1-CD2 4.02Å
983C92.4Very high93.2Very high0 Ų029.1 Ų29.10%014%0.144CC..  trans-150.3159.3178.153.90000114.1V896 V897 F981 F989 L1035V896-C983 PolarHBondContact O-N 3.07Å; V897-C983 VanDerWaalsContact CG2-SG 3.54Å; F981-C983 HydrophobicContact CD1-CB 3.84Å; F981-C983 HydrophobicContact CE1-CB 3.69Å; C983-F989 HydrophobicContact CB-CZ 4.19Å; C983-L1035 HydrophobicContact CB-CD2 3.77Å
984D86.7Confident93Very high33 Ų3328.7 Ų28.718%0.17614%0.142CC..  trans-82.3157.2169.4-64-50.9000111.1R962 H986 I987 L1035R962-D984 IonicContact CZ-OD1 3.57Å; R962-D984 VanDerWaalsContact CZ-OD1 3.31Å; R962-D984 IonicContact NE-OD1 2.71Å; R962-D984 PolarHBondContact NE-OD1 2.79Å; R962-D984 VanDerWaalsContact NE-OD1 3.09Å; R962-D984 IonicContact NH2-OD1 3.81Å; R962-D984 PolarHBondContact NH2-OD1 3.26Å; R962-D984 IonicContact NH2-OD2 3.54Å; D984-H986 VanDerWaalsContact C-N 3.33Å; D984-H986 PolarHBondContact O-N 3.42Å; D984-I987 HydrophobicContact CB-CG1 4.28Å; D984-I987 WeakPolarHBondContact O-CG1 3.47Å; D984-L1035 HydrophobicContact CB-CD2 4.4Å
985L89.6Confident92.8Very high13 Ų1320 Ų207%0.06811%0.105CC..SBendtrans-72.2-24.6-179.4-168.768.9000113.5V897 V899 Q902 W905 V906 F909 I987V897-L985 HydrophobicContact CG1-CB 3.86Å; V897-L985 HydrophobicContact CG1-CD1 3.77Å; V897-L985 HydrophobicContact CG1-CG 4.41Å; V899-L985 HydrophobicContact CG1-CD1 4.05Å; V899-L985 HydrophobicContact CG1-CD2 4.03Å; Q902-L985 HydrophobicContact CB-CD2 3.63Å; Q902-L985 HydrophobicContact CG-CD2 4.42Å; W905-L985 HydrophobicContact CB-CD2 3.5Å; W905-L985 VanDerWaalsContact CB-CD2 3.5Å; W905-L985 HydrophobicContact CB-CG 3.75Å; V906-L985 HydrophobicContact CG2-CD1 4.07Å; V906-L985 HydrophobicContact CG2-CD2 3.77Å; F909-L985 HydrophobicContact CB-CD1 3.84Å; F909-L985 HydrophobicContact CD1-CD1 4.46Å; F909-L985 HydrophobicContact CD2-CD1 4.49Å; F909-L985 HydrophobicContact CG-CD1 4.04Å; L985-I987 PolarHBondContact O-N 2.63Å; L985-I987 VanDerWaalsContact O-N 3.14Å
986H89.4Confident92.5Very high12 Ų1216.6 Ų16.66%0.0569%0.086CC..SBendtrans-87.832-170.1-6092.6000113.6W905 D984 H1088 L1089 F1091W905-H986 AromaticContact CD1-CD2 3.68Å; W905-H986 AromaticContact CD1-NE2 3.31Å; W905-H986 VanDerWaalsContact CD1-NE2 3.31Å; W905-H986 AromaticContact CD2-CD2 3.52Å; W905-H986 AromaticContact CE2-CD2 3.35Å; W905-H986 AromaticContact CE2-NE2 3.72Å; W905-H986 AromaticContact CG-CD2 3.72Å; W905-H986 AromaticContact CG-NE2 3.75Å; W905-H986 AromaticContact CZ2-CD2 3.83Å; W905-H986 AromaticContact NE1-CD2 3.45Å; W905-H986 PolarHBondContact NE1-CD2 2.28Å; W905-H986 AromaticContact NE1-NE2 3.27Å; W905-H986 PolarHBondContact NE1-NE2 2.74Å; D984-H986 VanDerWaalsContact C-N 3.33Å; D984-H986 PolarHBondContact O-N 3.42Å; H986-H1088 CarbonylContact O-C 3.59Å; H986-H1088 WeakPolarHBondContact O-CA 3.46Å; H986-L1089 PolarHBondContact O-N 2.75Å; H986-F1091 HydrophobicContact CB-CD1 3.75Å; H986-F1091 HydrophobicContact CB-CE1 4.03Å; H986-F1091 AromaticContact CD2-CD1 3.32Å; H986-F1091 WeakPolarHBondContact CD2-CD1 3.35Å; H986-F1091 AromaticContact CD2-CG 3.67Å; H986-F1091 AromaticContact CE1-CD1 3.74Å; H986-F1091 AromaticContact CE1-CE1 3.8Å; H986-F1091 AromaticContact CG-CD1 3.25Å; H986-F1091 AromaticContact CG-CE1 3.58Å; H986-F1091 AromaticContact ND1-CD1 3.53Å; H986-F1091 AromaticContact ND1-CE1 3.41Å; H986-F1091 WeakPolarHBondContact ND1-CE1 3.47Å; H986-F1091 AromaticContact NE2-CD1 3.63Å; H986-F1091 AromaticContact NE2-CG 3.64Å
987I89.2Confident92.4Very high4 Ų414.3 Ų14.32%0.0217%0.07CC..EExtended strand (participates in β ladder)trans-115.8125.1-171.1-54.4-60.4000109.4D984 L985 F989 V1012 L1035 F1086 H1088D984-I987 HydrophobicContact CB-CG1 4.28Å; D984-I987 WeakPolarHBondContact O-CG1 3.47Å; L985-I987 PolarHBondContact O-N 2.63Å; L985-I987 VanDerWaalsContact O-N 3.14Å; I987-F989 HydrophobicContact CB-CD2 4.32Å; I987-F989 HydrophobicContact CB-CE1 4.48Å; I987-F989 HydrophobicContact CB-CE2 3.7Å; I987-F989 HydrophobicContact CB-CZ 3.8Å; I987-F989 HydrophobicContact CG2-CD1 4.12Å; I987-F989 HydrophobicContact CG2-CD2 4.12Å; I987-F989 HydrophobicContact CG2-CE1 3.78Å; I987-F989 HydrophobicContact CG2-CE2 3.78Å; I987-F989 HydrophobicContact CG2-CG 4.3Å; I987-F989 HydrophobicContact CG2-CZ 3.61Å; I987-F989 VanDerWaalsContact O-CD2 3.29Å; I987-F989 WeakPolarHBondContact O-CD2 3.44Å; I987-F989 WeakPolarHBondContact O-CE2 3.3Å; I987-V1012 HydrophobicContact CD1-CG2 4.5Å; I987-L1035 HydrophobicContact CD1-CD1 4.01Å; I987-L1035 HydrophobicContact CD1-CD2 4.15Å; I987-L1035 HydrophobicContact CG1-CD1 4.4Å; I987-L1035 HydrophobicContact CG1-CD2 4.02Å; I987-F1086 HydrophobicContact CG2-CD2 4.19Å; I987-F1086 HydrophobicContact CG2-CE2 3.58Å; I987-F1086 HydrophobicContact CG2-CZ 4.32Å; I987-H1088 HydrophobicContact CD1-CB 3.69Å
988H87.6Confident92.3Very high47 Ų4710.7 Ų10.722%0.2185%0.053CC..EExtended strand (participates in β ladder)trans-84.2126167.1-175.843.6000109.4D912 T1085 T1087 L1089D912-H988 IonicContact OD1-ND1 3.49Å; D912-H988 IonicContact OD2-CE1 3.6Å; D912-H988 IonicContact OD2-CG 2.74Å; D912-H988 IonicContact OD2-ND1 2.74Å; D912-H988 PolarHBondContact OD2-ND1 3.19Å; H988-T1085 PolarHBondContact CD2-O 2.66Å; H988-T1087 PolarHBondContact N-O 3.42Å; H988-L1089 HydrophobicContact CB-CD1 4.26Å; H988-L1089 HydrophobicContact CB-CG 4.48Å
989F88.3Confident92Very high8 Ų811 Ų114%0.0356%0.055CC..PPolyproline II helixtrans-102.7121.7-170.3-75.3-80.1000113.2F895 F909 M913 F981 C983 I987 I993 F1086F895-F989 HydrophobicContact CD1-CE1 4.3Å; F895-F989 HydrophobicContact CD1-CZ 4.27Å; F895-F989 HydrophobicContact CE1-CD1 4.2Å; F895-F989 AromaticContact CE1-CE1 3.83Å; F895-F989 HydrophobicContact CE1-CE1 3.83Å; F895-F989 HydrophobicContact CE1-CZ 4.26Å; F909-F989 HydrophobicContact CD2-CE2 4.05Å; F909-F989 AromaticContact CE2-CE2 3.84Å; F909-F989 HydrophobicContact CE2-CE2 3.84Å; M913-F989 HydrophobicContact CE-CB 4.44Å; M913-F989 HydrophobicContact CE-CD1 4.36Å; M913-F989 HydrophobicContact CE-CD2 3.53Å; M913-F989 HydrophobicContact CE-CE2 3.74Å; M913-F989 HydrophobicContact CE-CG 3.86Å; M913-F989 HydrophobicContact CE-CZ 4.24Å; F981-F989 HydrophobicContact CE1-CE1 4.04Å; C983-F989 HydrophobicContact CB-CZ 4.19Å; I987-F989 HydrophobicContact CB-CD2 4.32Å; I987-F989 HydrophobicContact CB-CE1 4.48Å; I987-F989 HydrophobicContact CB-CE2 3.7Å; I987-F989 HydrophobicContact CB-CZ 3.8Å; I987-F989 HydrophobicContact CG2-CD1 4.12Å; I987-F989 HydrophobicContact CG2-CD2 4.12Å; I987-F989 HydrophobicContact CG2-CE1 3.78Å; I987-F989 HydrophobicContact CG2-CE2 3.78Å; I987-F989 HydrophobicContact CG2-CG 4.3Å; I987-F989 HydrophobicContact CG2-CZ 3.61Å; I987-F989 VanDerWaalsContact O-CD2 3.29Å; I987-F989 WeakPolarHBondContact O-CD2 3.44Å; I987-F989 WeakPolarHBondContact O-CE2 3.3Å; F989-I993 HydrophobicContact CD1-CG1 4.15Å; F989-F1086 HydrophobicContact CD1-CE2 4.2Å; F989-F1086 HydrophobicContact CE1-CE2 4.25Å
990P88.6Confident91.8Very high4 Ų411.1 Ų11.13%0.0266%0.055CC..PPolyproline II helixtrans-79.4157.9178.735.7-42.4000112.6N992 I993 L1083 F1086P990-N992 PolarHBondContact O-N 2.83Å; P990-I993 HydrophobicContact CG-CB 4.32Å; P990-I993 WeakPolarHBondContact O-CB 3.37Å; P990-I993 VanDerWaalsContact O-CG2 3.23Å; P990-I993 WeakPolarHBondContact O-CG2 3.32Å; P990-I993 PolarHBondContact O-N 3.17Å; P990-L1083 HydrophobicContact CB-CB 3.79Å; P990-L1083 HydrophobicContact CB-CD1 4.06Å; P990-L1083 HydrophobicContact CB-CD2 3.68Å; P990-L1083 HydrophobicContact CB-CG 4.01Å; P990-L1083 HydrophobicContact CG-CB 3.64Å; P990-L1083 HydrophobicContact CG-CD1 3.3Å; P990-L1083 HydrophobicContact CG-CD2 3.94Å; P990-L1083 HydrophobicContact CG-CG 3.76Å; P990-F1086 VanDerWaalsContact CD-CD2 3.47Å; P990-F1086 HydrophobicContact CG-CB 3.99Å; P990-F1086 HydrophobicContact CG-CD2 4.1Å; P990-F1086 HydrophobicContact CG-CG 4.34Å
991L89.7Confident91.6Very high53 Ų5311.1 Ų11.128%0.2776%0.055SC..THydrogen-bonded Turntrans-66-31-167.1-58-178.6000115.1Y339 L916 Q919 T920 I993Y339-L991 HydrophobicContact CE1-CB 3.68Å; L916-L991 HydrophobicContact CD1-CD2 4.35Å; L916-L991 WeakPolarHBondContact CD1-O 3Å; Q919-L991 HydrophobicContact CB-CD1 3.96Å; Q919-L991 HydrophobicContact CB-CD2 3.97Å; Q919-L991 HydrophobicContact CG-CD1 3.96Å; Q919-L991 HydrophobicContact CG-CD2 3.88Å; T920-L991 VanDerWaalsContact CG2-O 3.31Å; T920-L991 WeakPolarHBondContact CG2-O 3.45Å; L991-I993 VanDerWaalsContact C-N 3.29Å; L991-I993 PolarHBondContact O-N 3.47Å
992N88.8Confident91.4Very high10 Ų1011.4 Ų11.45%0.0536%0.057CC..THydrogen-bonded Turntrans-82.10.4179.59521.1000114.5R335 Y339 P990 L994 E995 S996 L1083R335-N992 PolarHBondContact O-ND2 3.32Å; Y339-N992 HydrophobicContact CD1-CB 3.94Å; P990-N992 PolarHBondContact O-N 2.83Å; N992-L994 VanDerWaalsContact C-N 3.27Å; N992-L994 PolarHBondContact O-N 3.44Å; N992-L994 VanDerWaalsContact O-N 3.1Å; N992-E995 PolarHBondContact O-N 3.4Å; N992-S996 PolarHBondContact O-N 3.21Å; N992-S996 PolarHBondContact OD1-OG 3.21Å; N992-L1083 HydrophobicContact CB-CD2 4.14Å; N992-L1083 VanDerWaalsContact ND2-CD2 3.26Å; N992-L1083 WeakPolarHBondContact ND2-CD2 3.36Å; N992-L1083 WeakPolarHBondContact OD1-CD1 3.32Å; N992-L1083 WeakPolarHBondContact OD1-CD2 3.45Å
993I92.1Very high91.3Very high0 Ų013.9 Ų13.90%07%0.069CC..Hα-helixtrans-54.6-37.5-168.5-170.461.5000114F895 L916 F989 P990 L991 S996 I997 L1081F895-I993 HydrophobicContact CZ-CG2 4.42Å; L916-I993 HydrophobicContact CD1-CG2 4.07Å; L916-I993 HydrophobicContact CD2-CG2 3.86Å; F989-I993 HydrophobicContact CD1-CG1 4.15Å; P990-I993 HydrophobicContact CG-CB 4.32Å; P990-I993 WeakPolarHBondContact O-CB 3.37Å; P990-I993 VanDerWaalsContact O-CG2 3.23Å; P990-I993 WeakPolarHBondContact O-CG2 3.32Å; P990-I993 PolarHBondContact O-N 3.17Å; L991-I993 VanDerWaalsContact C-N 3.29Å; L991-I993 PolarHBondContact O-N 3.47Å; I993-S996 PolarHBondContact O-N 2.79Å; I993-I997 HydrophobicContact CD1-CD1 4.35Å; I993-I997 HydrophobicContact CD1-CG1 4.34Å; I993-I997 HydrophobicContact CG1-CD1 3.89Å; I993-I997 HydrophobicContact CG1-CG1 4.34Å; I993-I997 VanDerWaalsContact O-CG1 3.32Å; I993-I997 WeakPolarHBondContact O-CG1 3.44Å; I993-I997 PolarHBondContact O-N 2.67Å; I993-L1081 HydrophobicContact CD1-CD1 3.67Å
994L94.1Very high91.2Very high3 Ų315.6 Ų15.62%0.0169%0.086CC..Hα-helixtrans-62.5-45.8179.7-61.7177.7000111.7V893 F895 L916 D922 F925 N992 I997 R998V893-L994 HydrophobicContact CB-CD2 4.34Å; F895-L994 HydrophobicContact CE2-CD2 3.59Å; F895-L994 HydrophobicContact CZ-CD2 3.85Å; L916-L994 HydrophobicContact CD2-CD1 4.32Å; L916-L994 HydrophobicContact CD2-CD2 4.34Å; L916-L994 HydrophobicContact CD2-CG 4.17Å; L916-L994 HydrophobicContact CG-CD1 4.44Å; D922-L994 HydrophobicContact CB-CD1 3.58Å; F925-L994 HydrophobicContact CB-CD1 4.36Å; F925-L994 HydrophobicContact CB-CD2 3.72Å; F925-L994 HydrophobicContact CD1-CD1 3.73Å; F925-L994 HydrophobicContact CD1-CD2 4.41Å; F925-L994 HydrophobicContact CE1-CD1 4.28Å; F925-L994 HydrophobicContact CG-CD1 4.2Å; F925-L994 HydrophobicContact CG-CD2 4.03Å; N992-L994 VanDerWaalsContact C-N 3.27Å; N992-L994 PolarHBondContact O-N 3.44Å; N992-L994 VanDerWaalsContact O-N 3.1Å; L994-I997 PolarHBondContact O-N 2.92Å; L994-R998 WeakPolarHBondContact O-CG 3.43Å; L994-R998 PolarHBondContact O-N 2.83Å
995E91.7Very high91.3Very high18 Ų1819 Ų198%0.08410%0.096CC..Hα-helixtrans-70.2-35.9176.5-176.8159.6-116.300111.6R837 W887 N992 R998 K999R837-E995 IonicContact CZ-OE1 3.85Å; R837-E995 VanDerWaalsContact CZ-OE1 3.24Å; R837-E995 IonicContact CZ-OE2 3.57Å; R837-E995 IonicContact NH1-OE1 3.55Å; R837-E995 PolarHBondContact NH1-OE1 3.33Å; R837-E995 IonicContact NH1-OE2 2.95Å; R837-E995 PolarHBondContact NH1-OE2 2.96Å; R837-E995 IonicContact NH2-OE1 2.81Å; R837-E995 PolarHBondContact NH2-OE1 2.69Å; R837-E995 IonicContact NH2-OE2 3.29Å; R837-E995 PolarHBondContact NH2-OE2 3.07Å; W887-E995 HydrophobicContact CH2-CG 4.12Å; W887-E995 HydrophobicContact CZ3-CG 4.4Å; N992-E995 PolarHBondContact O-N 3.4Å; E995-R998 PolarHBondContact O-N 3.02Å; E995-K999 WeakPolarHBondContact O-CB 3.44Å; E995-K999 WeakPolarHBondContact O-CG 3.43Å; E995-K999 PolarHBondContact O-N 3.1Å
996S91.8Very high91.4Very high3 Ų318.5 Ų18.52%0.0219%0.093CC..Hα-helixtrans-62.8-37.9172.4-74.80000113.1N992 I993 H1000N992-S996 PolarHBondContact O-N 3.21Å; N992-S996 PolarHBondContact OD1-OG 3.21Å; I993-S996 PolarHBondContact O-N 2.79Å; S996-H1000 WeakPolarHBondContact O-CB 3.32Å; S996-H1000 PolarHBondContact O-N 3.04Å; S996-H1000 PolarHBondContact O-ND1 3.12Å
997I94.6Very high91.5Very high0 Ų017.9 Ų17.90%09%0.091CC..Hα-helixtrans-67.2-49.1171.6-69.5165000110.7V893 F895 I979 F981 I993 L994 H1000 C1001 F1008V893-I997 HydrophobicContact CG1-CD1 3.96Å; V893-I997 HydrophobicContact CG1-CG2 3.97Å; V893-I997 HydrophobicContact CG2-CG2 4.1Å; F895-I997 HydrophobicContact CE1-CD1 4.14Å; F895-I997 HydrophobicContact CZ-CD1 3.88Å; I979-I997 HydrophobicContact CD1-CG2 4.48Å; I979-I997 HydrophobicContact CG2-CG2 3.62Å; F981-I997 HydrophobicContact CB-CD1 4.12Å; F981-I997 HydrophobicContact CD1-CD1 4.14Å; F981-I997 HydrophobicContact CD2-CD1 3.47Å; F981-I997 VanDerWaalsContact CD2-CD1 3.47Å; F981-I997 HydrophobicContact CD2-CG1 3.71Å; F981-I997 HydrophobicContact CD2-CG2 4.45Å; F981-I997 HydrophobicContact CE1-CD1 4.44Å; F981-I997 HydrophobicContact CE2-CD1 3.85Å; F981-I997 HydrophobicContact CE2-CG1 3.87Å; F981-I997 HydrophobicContact CG-CD1 3.64Å; F981-I997 HydrophobicContact CG-CG1 4.38Å; F981-I997 HydrophobicContact CZ-CD1 4.31Å; I993-I997 HydrophobicContact CD1-CD1 4.35Å; I993-I997 HydrophobicContact CD1-CG1 4.34Å; I993-I997 HydrophobicContact CG1-CD1 3.89Å; I993-I997 HydrophobicContact CG1-CG1 4.34Å; I993-I997 VanDerWaalsContact O-CG1 3.32Å; I993-I997 WeakPolarHBondContact O-CG1 3.44Å; I993-I997 PolarHBondContact O-N 2.67Å; L994-I997 PolarHBondContact O-N 2.92Å; I997-H1000 PolarHBondContact O-N 3.18Å; I997-C1001 WeakPolarHBondContact O-CB 3.2Å; I997-C1001 PolarHBondContact O-N 2.84Å; I997-C1001 PolarHBondContact O-SG 2.99Å; I997-F1008 HydrophobicContact CG1-CD1 4.22Å; I997-F1008 HydrophobicContact CG1-CE1 4.32Å
998R95.4Very high91.7Very high12 Ų1217.7 Ų17.75%0.0459%0.09CC..Hα-helixtrans-67-36.1-176.5-69.8-177.9-163.813112.6113.6W887 R889 V891 V893 D922 N924 I979 L994 E995 H1000W887-R998 HydrophobicContact CE3-CB 4.19Å; W887-R998 HydrophobicContact CZ3-CB 4.19Å; R889-R998 WeakPolarHBondContact O-CD 3.26Å; R889-R998 PolarHBondContact O-NE 3.09Å; R889-R998 PolarHBondContact O-NH1 3.43Å; V891-R998 PolarHBondContact O-NE 3.33Å; V893-R998 HydrophobicContact CG2-CG 3.95Å; D922-R998 VanDerWaalsContact CG-NH2 3.27Å; D922-R998 IonicContact OD1-CZ 3.78Å; D922-R998 IonicContact OD1-NH1 3.88Å; D922-R998 IonicContact OD1-NH2 2.63Å; D922-R998 PolarHBondContact OD1-NH2 3.09Å; D922-R998 IonicContact OD2-CZ 2.78Å; D922-R998 VanDerWaalsContact OD2-CZ 3.25Å; D922-R998 IonicContact OD2-NH1 3.47Å; D922-R998 PolarHBondContact OD2-NH1 2.97Å; D922-R998 IonicContact OD2-NH2 3.14Å; D922-R998 PolarHBondContact OD2-NH2 2.85Å; N924-R998 PolarHBondContact O-NH2 2.75Å; I979-R998 HydrophobicContact CD1-CG 4.12Å; L994-R998 WeakPolarHBondContact O-CG 3.43Å; L994-R998 PolarHBondContact O-N 2.83Å; E995-R998 PolarHBondContact O-N 3.02Å; R998-H1000 VanDerWaalsContact C-N 3.34Å
999K92.3Very high91.9Very high6 Ų615.5 Ų15.53%0.0268%0.079CC..Hα-helixtrans-73.7-24.9179.284.1-179.897.2-174.10112.8L823 E825 Y841 W887 E995L823-K999 HydrophobicContact CD2-CD 3.7Å; L823-K999 HydrophobicContact CD2-CG 4.02Å; E825-K999 IonicContact OE1-NZ 2.72Å; E825-K999 PolarHBondContact OE1-NZ 3.28Å; E825-K999 IonicContact OE2-NZ 3.24Å; E825-K999 PolarHBondContact OE2-NZ 3.27Å; Y841-K999 WeakPolarHBondContact CE2-O 3.3Å; Y841-K999 PolarHBondContact OH-O 3.03Å; W887-K999 HydrophobicContact CD2-CB 4.09Å; W887-K999 HydrophobicContact CE3-CB 4.07Å; W887-K999 HydrophobicContact CH2-CB 4.21Å; W887-K999 HydrophobicContact CZ2-CB 4.25Å; W887-K999 HydrophobicContact CZ3-CB 4.12Å; E995-K999 WeakPolarHBondContact O-CB 3.44Å; E995-K999 WeakPolarHBondContact O-CG 3.43Å; E995-K999 PolarHBondContact O-N 3.1Å
1000H92.9Very high91.9Very high2 Ų215.3 Ų15.31%0.0098%0.079CC..Hα-helixtrans-105-11.3-177.2-63.8129.1000115.1E811 L823 S996 I997 R998 L1006 F1008 K1077 I1079E811-H1000 IonicContact OE1-CE1 3.36Å; E811-H1000 PolarHBondContact OE1-CE1 2.94Å; E811-H1000 IonicContact OE1-NE2 3.45Å; E811-H1000 PolarHBondContact OE1-NE2 2.91Å; E811-H1000 IonicContact OE2-CD2 3.84Å; E811-H1000 IonicContact OE2-CE1 2.71Å; E811-H1000 IonicContact OE2-NE2 2.97Å; E811-H1000 PolarHBondContact OE2-NE2 2.96Å; L823-H1000 WeakPolarHBondContact CD2-NE2 3.47Å; S996-H1000 WeakPolarHBondContact O-CB 3.32Å; S996-H1000 PolarHBondContact O-N 3.04Å; S996-H1000 PolarHBondContact O-ND1 3.12Å; I997-H1000 PolarHBondContact O-N 3.18Å; R998-H1000 VanDerWaalsContact C-N 3.34Å; H1000-L1006 VanDerWaalsContact O-CB 3.26Å; H1000-L1006 WeakPolarHBondContact O-CB 3.42Å; H1000-F1008 HydrophobicContact CB-CB 3.91Å; H1000-F1008 HydrophobicContact CB-CD1 4.38Å; H1000-F1008 HydrophobicContact CB-CD2 3.4Å; H1000-F1008 VanDerWaalsContact CB-CD2 3.4Å; H1000-F1008 HydrophobicContact CB-CE2 3.99Å; H1000-F1008 HydrophobicContact CB-CG 3.63Å; H1000-F1008 AromaticContact CG-CD2 3.92Å; H1000-F1008 AromaticContact ND1-CE2 3.66Å; H1000-F1008 AromaticContact ND1-CZ 3.99Å; H1000-K1077 HydrophobicContact CB-CG 4.03Å; H1000-K1077 VanDerWaalsContact CD2-CE 3.4Å; H1000-K1077 WeakPolarHBondContact CD2-CE 3.36Å; H1000-K1077 VanDerWaalsContact NE2-CE 3.33Å; H1000-K1077 WeakPolarHBondContact NE2-CE 3.18Å; H1000-I1079 WeakPolarHBondContact CE1-CD1 3.29Å
1001C94.6Very high91.8Very high0 Ų015.2 Ų15.20%08%0.079CC..  trans-93.4126.3166.6-61.60000110.5I979 I997 L1006 G1037 Y1039I979-C1001 HydrophobicContact CD1-CB 3.77Å; I979-C1001 HydrophobicContact CG1-CB 4.02Å; I979-C1001 HydrophobicContact CG2-CB 4.26Å; I997-C1001 WeakPolarHBondContact O-CB 3.2Å; I997-C1001 PolarHBondContact O-N 2.84Å; I997-C1001 PolarHBondContact O-SG 2.99Å; C1001-L1006 WeakPolarHBondContact CA-O 3.48Å; C1001-G1037 VanDerWaalsContact SG-C 3.55Å; C1001-Y1039 HydrophobicContact CB-CD2 4.18Å; C1001-Y1039 HydrophobicContact CB-CE2 3.9Å; C1001-Y1039 WeakPolarHBondContact O-CE2 3.15Å
1002V93.9Very high91.7Very high7 Ų713.1 Ų13.14%0.0427%0.068CC..BIsolated β-bridgetrans-136.7124.9174.2178.80000109.3W887 G1004 R1005 L1006W887-V1002 HydrophobicContact CB-CG2 4.26Å; V1002-G1004 PolarHBondContact O-N 3.35Å; V1002-R1005 HydrophobicContact CB-CB 4.14Å; V1002-R1005 HydrophobicContact CG1-CB 3.96Å; V1002-R1005 HydrophobicContact CG1-CG 4.19Å; V1002-R1005 WeakPolarHBondContact O-CA 3.46Å; V1002-R1005 PolarHBondContact O-N 2.81Å; V1002-L1006 HydrophobicContact CB-CB 3.98Å; V1002-L1006 HydrophobicContact CB-CD1 4.31Å; V1002-L1006 HydrophobicContact CB-CG 4.14Å; V1002-L1006 HydrophobicContact CG2-CB 4.32Å; V1002-L1006 HydrophobicContact CG2-CD1 3.92Å; V1002-L1006 HydrophobicContact CG2-CG 4.3Å; V1002-L1006 PolarHBondContact N-O 3.16Å; V1002-L1006 PolarHBondContact O-N 3.38Å
1003E93.6Very high91.6Very high57 Ų5712.7 Ų12.727%0.2667%0.065SC..THydrogen-bonded Turntrans-63.3129.5-170.3-163.8174.7170.900112.7R888 H977 R1005 Y1039 S1041R888-E1003 IonicContact NH2-OE2 3.74Å; H977-E1003 IonicContact CE1-OE1 3.43Å; H977-E1003 PolarHBondContact CE1-OE1 3.36Å; H977-E1003 IonicContact CE1-OE2 2.61Å; H977-E1003 IonicContact CG-OE2 3.93Å; H977-E1003 VanDerWaalsContact ND1-CD 3.3Å; H977-E1003 IonicContact ND1-OE1 2.69Å; H977-E1003 PolarHBondContact ND1-OE1 3.13Å; H977-E1003 IonicContact ND1-OE2 3.22Å; H977-E1003 PolarHBondContact ND1-OE2 3.12Å; E1003-R1005 VanDerWaalsContact C-N 3.26Å; E1003-R1005 PolarHBondContact O-N 2.87Å; E1003-Y1039 HydrophobicContact CB-CD1 4.12Å; E1003-Y1039 HydrophobicContact CB-CD2 3.74Å; E1003-Y1039 HydrophobicContact CB-CE1 4.37Å; E1003-Y1039 HydrophobicContact CB-CE2 4.01Å; E1003-Y1039 HydrophobicContact CB-CG 3.79Å; E1003-Y1039 HydrophobicContact CG-CD1 4.19Å; E1003-Y1039 HydrophobicContact CG-CD2 4.32Å; E1003-Y1039 HydrophobicContact CG-CG 3.9Å; E1003-Y1039 VanDerWaalsContact N-CE2 3.31Å; E1003-S1041 WeakPolarHBondContact OE1-CB 3.3Å; E1003-S1041 PolarHBondContact OE1-OG 2.97Å
1004G90.6Very high91.4Very high35 Ų3516.1 Ų16.136%0.3618%0.079SC..THydrogen-bonded Turntrans73.95-172.900000114.9V1002 D1042V1002-G1004 PolarHBondContact O-N 3.35Å; G1004-D1042 VanDerWaalsContact CA-OD2 3.29Å; G1004-D1042 WeakPolarHBondContact CA-OD2 3.38Å; G1004-D1042 PolarHBondContact N-OD2 3.06Å
1005R88.9Confident91.1Very high106 Ų10616.1 Ų16.140%0.48%0.079SC..THydrogen-bonded Turntrans-139.1-58.2-163-57.9-67.7168.8158.51.1115.1M884 L885 V1002 E1003 Q1075M884-R1005 WeakPolarHBondContact O-CG 3.41Å; M884-R1005 PolarHBondContact SD-NH1 2.99Å; M884-R1005 VanDerWaalsContact SD-NH1 3.35Å; M884-R1005 PolarHBondContact SD-NH2 3.47Å; L885-R1005 HydrophobicContact CD2-CB 4.36Å; V1002-R1005 HydrophobicContact CB-CB 4.14Å; V1002-R1005 HydrophobicContact CG1-CB 3.96Å; V1002-R1005 HydrophobicContact CG1-CG 4.19Å; V1002-R1005 WeakPolarHBondContact O-CA 3.46Å; V1002-R1005 PolarHBondContact O-N 2.81Å; E1003-R1005 VanDerWaalsContact C-N 3.26Å; E1003-R1005 PolarHBondContact O-N 2.87Å; R1005-Q1075 PolarHBondContact O-N 2.96Å
1006L91Very high90.9Very high1 Ų117.8 Ų17.81%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-124.2132.6-174-58.8-178.3000111.4Y841 L885 H1000 C1001 V1002 Q1075Y841-L1006 HydrophobicContact CE2-CD1 4.47Å; L885-L1006 HydrophobicContact CD2-CD1 3.93Å; L885-L1006 HydrophobicContact CD2-CD2 4.49Å; L885-L1006 HydrophobicContact CD2-CG 4.01Å; H1000-L1006 VanDerWaalsContact O-CB 3.26Å; H1000-L1006 WeakPolarHBondContact O-CB 3.42Å; C1001-L1006 WeakPolarHBondContact CA-O 3.48Å; V1002-L1006 HydrophobicContact CB-CB 3.98Å; V1002-L1006 HydrophobicContact CB-CD1 4.31Å; V1002-L1006 HydrophobicContact CB-CG 4.14Å; V1002-L1006 HydrophobicContact CG2-CB 4.32Å; V1002-L1006 HydrophobicContact CG2-CD1 3.92Å; V1002-L1006 HydrophobicContact CG2-CG 4.3Å; V1002-L1006 PolarHBondContact N-O 3.16Å; V1002-L1006 PolarHBondContact O-N 3.38Å; L1006-Q1075 WeakPolarHBondContact CA-O 3.36Å; L1006-Q1075 HydrophobicContact CD2-CB 3.75Å; L1006-Q1075 HydrophobicContact CD2-CG 3.63Å
1007A92.6Very high90.5Very high0 Ų019.1 Ų19.10%010%0.101CC..EExtended strand (participates in β ladder)trans-120159161.800000108.3F1036 G1037 I1038 Y1069 Q1075 L1076 K1077A1007-F1036 HydrophobicContact CB-CE1 4.16Å; A1007-F1036 HydrophobicContact CB-CZ 4.03Å; A1007-G1037 CarbonylContact C-O 3.52Å; A1007-G1037 WeakPolarHBondContact CA-O 3Å; A1007-G1037 WeakPolarHBondContact CB-O 3.42Å; A1007-I1038 HydrophobicContact CB-CB 4.09Å; A1007-I1038 HydrophobicContact CB-CD1 4.29Å; A1007-I1038 HydrophobicContact CB-CG1 4.13Å; A1007-Y1069 HydrophobicContact CB-CD2 4.26Å; A1007-Y1069 HydrophobicContact CB-CE1 4.2Å; A1007-Y1069 HydrophobicContact CB-CE2 3.39Å; A1007-Y1069 VanDerWaalsContact CB-OH 3.3Å; A1007-Y1069 WeakPolarHBondContact CB-OH 3.31Å; A1007-Y1069 PolarHBondContact N-OH 2.7Å; A1007-Q1075 PolarHBondContact N-O 3.32Å; A1007-L1076 HydrophobicContact CB-CD1 4.12Å; A1007-K1077 PolarHBondContact O-N 3Å
1008F92.6Very high89.8Confident0 Ų020 Ų200%011%0.11CC..EExtended strand (participates in β ladder)trans-122.7125.3-165.4179.5-128000111.2F981 I997 H1000 P1010 G1037 K1077 I1079 L1081F981-F1008 HydrophobicContact CE2-CD1 4.42Å; I997-F1008 HydrophobicContact CG1-CD1 4.22Å; I997-F1008 HydrophobicContact CG1-CE1 4.32Å; H1000-F1008 HydrophobicContact CB-CB 3.91Å; H1000-F1008 HydrophobicContact CB-CD1 4.38Å; H1000-F1008 HydrophobicContact CB-CD2 3.4Å; H1000-F1008 VanDerWaalsContact CB-CD2 3.4Å; H1000-F1008 HydrophobicContact CB-CE2 3.99Å; H1000-F1008 HydrophobicContact CB-CG 3.63Å; H1000-F1008 AromaticContact CG-CD2 3.92Å; H1000-F1008 AromaticContact ND1-CE2 3.66Å; H1000-F1008 AromaticContact ND1-CZ 3.99Å; F1008-P1010 HydrophobicContact CE1-CB 3.96Å; F1008-P1010 HydrophobicContact CE1-CG 4.01Å; F1008-P1010 HydrophobicContact CE2-CB 4.35Å; F1008-P1010 HydrophobicContact CZ-CB 3.66Å; F1008-P1010 HydrophobicContact CZ-CG 4.21Å; F1008-G1037 PolarHBondContact N-O 3.29Å; F1008-G1037 PolarHBondContact O-N 2.78Å; F1008-K1077 HydrophobicContact CD2-CG 4.32Å; F1008-I1079 HydrophobicContact CE2-CD1 3.73Å; F1008-I1079 HydrophobicContact CE2-CG1 4.04Å; F1008-L1081 HydrophobicContact CE1-CD1 4.03Å; F1008-L1081 HydrophobicContact CE2-CD2 4.46Å; F1008-L1081 HydrophobicContact CZ-CD1 3.69Å; F1008-L1081 HydrophobicContact CZ-CD2 3.75Å; F1008-L1081 HydrophobicContact CZ-CG 3.72Å
1009A91.3Very high89.2Confident0 Ų020.1 Ų20.10%011%0.112CC..EExtended strand (participates in β ladder)trans-125.798.6172.600000108.3F1033 F1036 L1076 K1077 K1078A1009-F1033 HydrophobicContact CB-CD1 3.88Å; A1009-F1033 HydrophobicContact CB-CE1 4.32Å; A1009-F1036 HydrophobicContact CB-CD2 4.3Å; A1009-L1076 HydrophobicContact CB-CD1 4.12Å; A1009-L1076 HydrophobicContact CB-CD2 3.93Å; A1009-L1076 HydrophobicContact CB-CG 4.28Å; A1009-K1077 PolarHBondContact N-O 3.37Å; A1009-K1078 WeakPolarHBondContact O-CA 3.18Å; A1009-K1078 WeakPolarHBondContact O-CG 3.41Å
1010P89.4Confident88.6Confident5 Ų520.6 Ų20.63%0.03212%0.117CC..EExtended strand (participates in β ladder)trans-70.1144.8175.930.7-34.2000110.2F981 F1008 L1035 L1081 F1086F981-P1010 HydrophobicContact CE2-CG 4.3Å; F981-P1010 HydrophobicContact CZ-CG 4.08Å; F1008-P1010 HydrophobicContact CE1-CB 3.96Å; F1008-P1010 HydrophobicContact CE1-CG 4.01Å; F1008-P1010 HydrophobicContact CE2-CB 4.35Å; F1008-P1010 HydrophobicContact CZ-CB 3.66Å; F1008-P1010 HydrophobicContact CZ-CG 4.21Å; P1010-L1035 HydrophobicContact CG-CB 4.23Å; P1010-L1081 HydrophobicContact CB-CD1 3.79Å; P1010-L1081 HydrophobicContact CB-CG 4Å; P1010-F1086 HydrophobicContact CB-CE1 3.79Å; P1010-F1086 HydrophobicContact CB-CZ 4.28Å; P1010-F1086 HydrophobicContact CG-CE1 4.03Å; P1010-F1086 HydrophobicContact CG-CZ 4.05Å
1011I86Confident88.1Confident2 Ų221.7 Ų21.71%0.0112%0.124CC..EExtended strand (participates in β ladder)trans-85.4134.3163.8-58.7167.1000107.2L380 W1028 V1030 K1078 I1079 C1080L380-I1011 HydrophobicContact CD2-CD1 3.85Å; I1011-W1028 HydrophobicContact CG2-CB 4Å; I1011-W1028 HydrophobicContact CG2-CE3 4.16Å; I1011-V1030 HydrophobicContact CD1-CG1 4.44Å; I1011-V1030 HydrophobicContact CG2-CG2 4.49Å; I1011-K1078 HydrophobicContact CD1-CD 4.31Å; I1011-K1078 HydrophobicContact CD1-CG 3.99Å; I1011-K1078 HydrophobicContact CG1-CD 4.24Å; I1011-K1078 HydrophobicContact CG1-CG 3.87Å; I1011-I1079 PolarHBondContact N-O 3.02Å; I1011-C1080 HydrophobicContact CB-CB 4.46Å
1012V87.4Confident87.4Confident9 Ų927.6 Ų27.66%0.05516%0.155CC..  trans-112.7147.4179.968.70000109.5I987 R1014 E1029 L1035 F1086 H1088I987-V1012 HydrophobicContact CD1-CG2 4.5Å; V1012-R1014 PolarHBondContact O-N 3.09Å; V1012-E1029 HydrophobicContact CG1-CB 4.16Å; V1012-E1029 PolarHBondContact O-N 2.86Å; V1012-L1035 HydrophobicContact CB-CD1 4.09Å; V1012-L1035 HydrophobicContact CG1-CD1 4.1Å; V1012-F1086 HydrophobicContact CB-CD1 3.99Å; V1012-F1086 HydrophobicContact CB-CE1 3.63Å; V1012-F1086 HydrophobicContact CB-CZ 4.23Å; V1012-F1086 HydrophobicContact CG2-CD1 3.85Å; V1012-F1086 HydrophobicContact CG2-CD2 4.48Å; V1012-F1086 HydrophobicContact CG2-CE1 3.78Å; V1012-F1086 HydrophobicContact CG2-CE2 4.46Å; V1012-F1086 HydrophobicContact CG2-CG 4.22Å; V1012-F1086 HydrophobicContact CG2-CZ 4.13Å; V1012-F1086 WeakPolarHBondContact CG2-O 3.4Å; V1012-H1088 HydrophobicContact CG1-CB 4.02Å; V1012-H1088 HydrophobicContact CG2-CB 4.02Å; V1012-H1088 VanDerWaalsContact CG2-N 3.28Å
1013M87.3Confident86.7Confident0 Ų030.5 Ų30.50%017%0.168CC..EExtended strand (participates in β ladder)trans-79.9116.9168.3-178.7180-172.100108.9M329 L391 L1015 P1024 Y1027 W1028 F1086 T1087 H1088M329-M1013 HydrophobicContact CE-SD 3.66Å; M329-M1013 HydrophobicContact SD-CE 4.39Å; M329-M1013 HydrophobicContact SD-SD 3.52Å; L391-M1013 HydrophobicContact CD1-CE 3.7Å; L391-M1013 HydrophobicContact CD1-SD 4.36Å; L391-M1013 HydrophobicContact CD2-CE 4.07Å; L391-M1013 HydrophobicContact CD2-SD 4.11Å; M1013-L1015 HydrophobicContact CE-CD2 4.16Å; M1013-L1015 HydrophobicContact SD-CD2 4.21Å; M1013-P1024 HydrophobicContact CE-CB 4.01Å; M1013-P1024 WeakPolarHBondContact CE-O 3.43Å; M1013-P1024 HydrophobicContact SD-CB 3.93Å; M1013-Y1027 CarbonylContact C-O 3.52Å; M1013-Y1027 WeakPolarHBondContact CA-O 3.42Å; M1013-W1028 HydrophobicContact CB-CD2 4.36Å; M1013-W1028 HydrophobicContact CB-CE3 3.82Å; M1013-W1028 HydrophobicContact CB-CH2 4.05Å; M1013-W1028 HydrophobicContact CB-CZ3 3.67Å; M1013-F1086 PolarHBondContact N-O 2.94Å; M1013-T1087 HydrophobicContact CB-CG2 4.23Å; M1013-T1087 CarbonylContact O-C 3.43Å; M1013-T1087 VanDerWaalsContact O-CA 3.28Å; M1013-T1087 WeakPolarHBondContact O-CA 3.3Å; M1013-H1088 PolarHBondContact O-N 2.96Å
1014R88.4Confident86.2Confident73 Ų7327.8 Ų27.828%0.27516%0.155SC..EExtended strand (participates in β ladder)trans-83.5120.1168.3179.1168.4-93.7165.6-12.6109.2V1012 G1026 Y1027 E1029 H1088V1012-R1014 PolarHBondContact O-N 3.09Å; R1014-G1026 CarbonylContact O-C 3.05Å; R1014-G1026 VanDerWaalsContact O-CA 3.29Å; R1014-G1026 WeakPolarHBondContact O-CA 3.5Å; R1014-Y1027 HydrophobicContact CB-CE1 4.3Å; R1014-Y1027 HydrophobicContact CB-CE2 4.43Å; R1014-Y1027 VanDerWaalsContact CD-OH 3.3Å; R1014-Y1027 WeakPolarHBondContact CD-OH 3.2Å; R1014-Y1027 HydrophobicContact CG-CE1 4.3Å; R1014-Y1027 PolarHBondContact N-O 3.16Å; R1014-Y1027 PolarHBondContact O-N 3.3Å; R1014-E1029 IonicContact CZ-OE2 2.67Å; R1014-E1029 IonicContact NE-OE2 3.26Å; R1014-E1029 IonicContact NH1-OE2 2.71Å; R1014-E1029 PolarHBondContact NH1-OE2 2.85Å; R1014-H1088 HydrophobicContact CB-CB 4.36Å; R1014-H1088 PolarHBondContact NH2-CE1 3.29Å; R1014-H1088 PolarHBondContact NH2-NE2 3.46Å
1015L87.8Confident86.1Confident3 Ų328.6 Ų28.62%0.01615%0.152CC..EExtended strand (participates in β ladder)trans-77.6144.2-179.6-70.4169.7000111.5M1013 P1021 P1024 T1087 H1088 L1089M1013-L1015 HydrophobicContact CE-CD2 4.16Å; M1013-L1015 HydrophobicContact SD-CD2 4.21Å; L1015-P1021 HydrophobicContact CD1-CG 4.28Å; L1015-P1024 HydrophobicContact CD2-CB 3.89Å; L1015-T1087 HydrophobicContact CD1-CG2 3.98Å; L1015-T1087 HydrophobicContact CD2-CG2 4.3Å; L1015-T1087 HydrophobicContact CG-CG2 4.08Å; L1015-H1088 PolarHBondContact N-O 3.49Å; L1015-L1089 HydrophobicContact CD1-CD2 4Å
1016S86.3Confident86Confident52 Ų5223.8 Ų23.836%0.36414%0.135SC..PPolyproline II helixtrans-71.8158.6170.5-73.70000111.2G1018 S1019 N1025S1016-G1018 PolarHBondContact O-N 3.28Å; S1016-S1019 WeakPolarHBondContact O-CB 3.25Å; S1016-S1019 PolarHBondContact O-N 2.95Å; S1016-S1019 PolarHBondContact O-OG 2.8Å; S1016-N1025 PolarHBondContact N-O 2.93Å
1017C83.7Confident85.8Confident32 Ų3227.3 Ų27.322%0.21615%0.149CC..THydrogen-bonded Turntrans-58.5135.7178.9-167.40000111.8C132 S1019 Y1090C132-C1017 HydrophobicContact CB-CB 3.7Å; C132-C1017 WeakPolarHBondContact CB-SG 3.17Å; C132-C1017 PolarHBondContact N-SG 2.89Å; C132-C1017 WeakPolarHBondContact SG-CB 3.24Å; C132-C1017 CovalentContact SG-SG 2.02Å; C132-C1017 PolarHBondContact SG-SG 3.07Å; C1017-S1019 PolarHBondContact O-N 2.91Å; C1017-Y1090 HydrophobicContact CB-CD1 3.9Å; C1017-Y1090 HydrophobicContact CB-CD2 3.85Å; C1017-Y1090 HydrophobicContact CB-CE1 3.74Å; C1017-Y1090 HydrophobicContact CB-CE2 3.67Å; C1017-Y1090 HydrophobicContact CB-CG 3.96Å; C1017-Y1090 WeakPolarHBondContact SG-CE1 3.43Å
1018G79.3Confident85.5Confident18 Ų1827.7 Ų27.719%0.18615%0.15CC..THydrogen-bonded Turntrans72.83.1-175.800000115.3S1016S1016-G1018 PolarHBondContact O-N 3.28Å
1019S83.8Confident85.1Confident14 Ų1429.4 Ų29.410%0.09816%0.158CC..  trans-92.1163.1173.8-50.40000111S1016 C1017 N1025S1016-S1019 WeakPolarHBondContact O-CB 3.25Å; S1016-S1019 PolarHBondContact O-N 2.95Å; S1016-S1019 PolarHBondContact O-OG 2.8Å; C1017-S1019 PolarHBondContact O-N 2.91Å; S1019-N1025 WeakPolarHBondContact CB-O 3.25Å; S1019-N1025 PolarHBondContact OG-O 2.96Å
1020S79.8Confident84.5Confident16 Ų1630.3 Ų30.311%0.11216%0.164CC..BIsolated β-bridgetrans-140.1166.8-177.873.90000111.7L1022 E1023 P1024S1020-L1022 PolarHBondContact O-N 3.38Å; S1020-L1022 VanDerWaalsContact O-N 3.13Å; S1020-L1022 PolarHBondContact OG-N 3.23Å; S1020-E1023 PolarHBondContact N-O 2.79Å; S1020-E1023 CarbonylContact O-C 3.56Å; S1020-E1023 PolarHBondContact O-N 2.84Å; S1020-E1023 VanDerWaalsContact O-O 3.08Å; S1020-E1023 PolarHBondContact OG-N 3.5Å; S1020-E1023 VanDerWaalsContact OG-N 3.14Å; S1020-P1024 WeakPolarHBondContact O-CA 3.29Å
1021P82.1Confident84.1Confident26 Ų2634.6 Ų34.617%0.16919%0.186CC..THydrogen-bonded Turntrans-60.3-19.7173.8-24.235.1000114.2L330 L1015 L1089L330-P1021 WeakPolarHBondContact CD2-O 3.42Å; L1015-P1021 HydrophobicContact CD1-CG 4.28Å; P1021-L1089 HydrophobicContact CG-CD2 3.76Å
1022L78.8Confident83.9Confident124 Ų12435.6 Ų35.665%0.64920%0.197SC*.THydrogen-bonded Turntrans-92-17.4176-61.2175.5000113.2L330 S1020L330-L1022 WeakPolarHBondContact CD1-O 3.49Å; S1020-L1022 PolarHBondContact O-N 3.38Å; S1020-L1022 VanDerWaalsContact O-N 3.13Å; S1020-L1022 PolarHBondContact OG-N 3.23Å
1023E79.4Confident83.9Confident67 Ų6735.5 Ų35.531%0.31320%0.196SC..BIsolated β-bridgetrans-13570.1176.1-65.2-179.1173.100108.5K141 S1020 N1025K141-E1023 VanDerWaalsContact CD-OE2 3.32Å; K141-E1023 WeakPolarHBondContact CD-OE2 3.34Å; K141-E1023 IonicContact NZ-OE1 2.8Å; K141-E1023 PolarHBondContact NZ-OE1 3Å; K141-E1023 IonicContact NZ-OE2 3.2Å; K141-E1023 PolarHBondContact NZ-OE2 3.49Å; S1020-E1023 PolarHBondContact N-O 2.79Å; S1020-E1023 CarbonylContact O-C 3.56Å; S1020-E1023 PolarHBondContact O-N 2.84Å; S1020-E1023 VanDerWaalsContact O-O 3.08Å; S1020-E1023 PolarHBondContact OG-N 3.5Å; S1020-E1023 VanDerWaalsContact OG-N 3.14Å; E1023-N1025 PolarHBondContact O-N 3.36Å; E1023-N1025 VanDerWaalsContact O-N 3.09Å
1024P84.6Confident83.9Confident0 Ų036.1 Ų36.10%020%0.202CC..  trans-82.691.4-164.832.8-37.1000111.8A327 M329 L330 H393 M1013 L1015 S1020A327-P1024 HydrophobicContact CB-CG 4.03Å; M329-P1024 HydrophobicContact CG-CG 4.06Å; M329-P1024 HydrophobicContact SD-CB 3.87Å; M329-P1024 HydrophobicContact SD-CG 3.74Å; L330-P1024 HydrophobicContact CD1-CG 4.16Å; L330-P1024 HydrophobicContact CD2-CG 3.97Å; L330-P1024 HydrophobicContact CG-CG 4.03Å; H393-P1024 PolarHBondContact NE2-O 3.14Å; M1013-P1024 HydrophobicContact CE-CB 4.01Å; M1013-P1024 WeakPolarHBondContact CE-O 3.43Å; M1013-P1024 HydrophobicContact SD-CB 3.93Å; L1015-P1024 HydrophobicContact CD2-CB 3.89Å; S1020-P1024 WeakPolarHBondContact O-CA 3.29Å
1025N87Confident84Confident53 Ų5333.2 Ų33.228%0.28319%0.192SC..  trans-102.6138163.7-55.1-54.1000108.7H393 M394 S1016 S1019 E1023H393-N1025 PolarHBondContact CD2-OD1 2.76Å; H393-N1025 VanDerWaalsContact CD2-OD1 3.26Å; H393-N1025 PolarHBondContact NE2-OD1 2.85Å; M394-N1025 HydrophobicContact CE-CB 4.4Å; M394-N1025 HydrophobicContact SD-CB 3.91Å; M394-N1025 PolarHBondContact SD-OD1 2.71Å; M394-N1025 VanDerWaalsContact SD-OD1 3.4Å; S1016-N1025 PolarHBondContact N-O 2.93Å; S1019-N1025 WeakPolarHBondContact CB-O 3.25Å; S1019-N1025 PolarHBondContact OG-O 2.96Å; E1023-N1025 PolarHBondContact O-N 3.36Å; E1023-N1025 VanDerWaalsContact O-N 3.09Å
1026G87.7Confident84.3Confident5 Ų533.2 Ų33.25%0.05219%0.192CC..EExtended strand (participates in β ladder)trans153.3-156.5-167.100000112.1R1014R1014-G1026 CarbonylContact O-C 3.05Å; R1014-G1026 VanDerWaalsContact O-CA 3.29Å; R1014-G1026 WeakPolarHBondContact O-CA 3.5Å
1027Y86.3Confident84.7Confident74 Ų7430.7 Ų30.729%0.2918%0.175SC..EExtended strand (participates in β ladder)trans-151.9158.8-17670.4-91.6000113.3N771 M1013 R1014 E1029N771-Y1027 HydrophobicContact CB-CD2 4.1Å; N771-Y1027 HydrophobicContact CB-CG 4.39Å; N771-Y1027 VanDerWaalsContact ND2-CB 3.31Å; N771-Y1027 WeakPolarHBondContact ND2-CB 3.49Å; M1013-Y1027 CarbonylContact C-O 3.52Å; M1013-Y1027 WeakPolarHBondContact CA-O 3.42Å; R1014-Y1027 HydrophobicContact CB-CE1 4.3Å; R1014-Y1027 HydrophobicContact CB-CE2 4.43Å; R1014-Y1027 VanDerWaalsContact CD-OH 3.3Å; R1014-Y1027 WeakPolarHBondContact CD-OH 3.2Å; R1014-Y1027 HydrophobicContact CG-CE1 4.3Å; R1014-Y1027 PolarHBondContact N-O 3.16Å; R1014-Y1027 PolarHBondContact O-N 3.3Å; Y1027-E1029 HydrophobicContact CE2-CB 4.48Å; Y1027-E1029 WeakPolarHBondContact CE2-OE2 3.42Å; Y1027-E1029 PolarHBondContact OH-OE2 2.78Å
1028W86Confident85.4Confident8 Ų829.2 Ų29.23%0.0316%0.164CC..EExtended strand (participates in β ladder)trans-77.1123.1174.2-64.3110000111.6M329 T389 L391 N771 I1011 M1013 V1030M329-W1028 HydrophobicContact CE-CH2 4.12Å; M329-W1028 HydrophobicContact CE-CZ2 4.33Å; T389-W1028 HydrophobicContact CG2-CH2 4.14Å; T389-W1028 HydrophobicContact CG2-CZ2 4.03Å; T389-W1028 VanDerWaalsContact O-CE2 3.25Å; T389-W1028 VanDerWaalsContact O-CZ2 3.27Å; T389-W1028 WeakPolarHBondContact O-CZ2 3.18Å; T389-W1028 PolarHBondContact O-NE1 3.28Å; L391-W1028 HydrophobicContact CD2-CZ2 4.1Å; N771-W1028 PolarHBondContact O-N 2.73Å; I1011-W1028 HydrophobicContact CG2-CB 4Å; I1011-W1028 HydrophobicContact CG2-CE3 4.16Å; M1013-W1028 HydrophobicContact CB-CD2 4.36Å; M1013-W1028 HydrophobicContact CB-CE3 3.82Å; M1013-W1028 HydrophobicContact CB-CH2 4.05Å; M1013-W1028 HydrophobicContact CB-CZ3 3.67Å; W1028-V1030 HydrophobicContact CB-CG2 4.12Å; W1028-V1030 PolarHBondContact O-N 2.8Å
1029E84.6Confident86.2Confident36 Ų3628.5 Ų28.517%0.16816%0.156CC..  trans-8061.6-177.4-166.659.2-90.700111.2V1012 R1014 Y1027 N1031 G1032V1012-E1029 HydrophobicContact CG1-CB 4.16Å; V1012-E1029 PolarHBondContact O-N 2.86Å; R1014-E1029 IonicContact CZ-OE2 2.67Å; R1014-E1029 IonicContact NE-OE2 3.26Å; R1014-E1029 IonicContact NH1-OE2 2.71Å; R1014-E1029 PolarHBondContact NH1-OE2 2.85Å; Y1027-E1029 HydrophobicContact CE2-CB 4.48Å; Y1027-E1029 WeakPolarHBondContact CE2-OE2 3.42Å; Y1027-E1029 PolarHBondContact OH-OE2 2.78Å; E1029-N1031 PolarHBondContact O-N 2.93Å; E1029-N1031 VanDerWaalsContact O-N 3.14Å; E1029-G1032 PolarHBondContact O-N 2.7Å
1030V79.5Confident86.9Confident19 Ų1928.5 Ų28.512%0.11515%0.154CC..THydrogen-bonded Turntrans-57.6-31.9-170.9-178.50000112.4L768 I1011 W1028 K1078L768-V1030 HydrophobicContact CD2-CG1 4.24Å; I1011-V1030 HydrophobicContact CD1-CG1 4.44Å; I1011-V1030 HydrophobicContact CG2-CG2 4.49Å; W1028-V1030 HydrophobicContact CB-CG2 4.12Å; W1028-V1030 PolarHBondContact O-N 2.8Å; V1030-K1078 WeakPolarHBondContact O-CE 3.25Å; V1030-K1078 PolarHBondContact O-NZ 2.81Å
1031N79.5Confident87.7Confident96 Ų9628.6 Ų28.651%0.51316%0.155SC..THydrogen-bonded Turntrans-91.4-2-179.2-67.4-48.8000114.6E1029 F1033 W1063E1029-N1031 PolarHBondContact O-N 2.93Å; E1029-N1031 VanDerWaalsContact O-N 3.14Å; N1031-F1033 VanDerWaalsContact O-CD2 3.28Å; N1031-F1033 WeakPolarHBondContact O-CD2 3.19Å; N1031-F1033 WeakPolarHBondContact O-CE2 3.47Å; N1031-W1063 HydrophobicContact CB-CZ2 4.38Å; N1031-W1063 PolarHBondContact O-NE1 2.79Å
1032G83.6Confident88.4Confident23 Ų2327.4 Ų27.424%0.23715%0.147CC..  trans-76.5139.4175.200000112.9E1029 K1078E1029-G1032 PolarHBondContact O-N 2.7Å; G1032-K1078 PolarHBondContact O-NZ 3.5Å
1033F86.9Confident89.3Confident7 Ų721.5 Ų21.53%0.03112%0.116CC..  trans-131.76.3170.2-63.5-94.5000112.5L375 V378 A1009 N1031 L1035 D1062 W1063 L1066 L1076 K1078L375-F1033 HydrophobicContact CD2-CD2 3.95Å; L375-F1033 HydrophobicContact CD2-CE2 3.31Å; L375-F1033 HydrophobicContact CD2-CZ 3.94Å; V378-F1033 HydrophobicContact CG1-CE1 4.35Å; V378-F1033 HydrophobicContact CG1-CZ 4.24Å; V378-F1033 HydrophobicContact CG2-CE1 4.04Å; V378-F1033 HydrophobicContact CG2-CZ 4Å; A1009-F1033 HydrophobicContact CB-CD1 3.88Å; A1009-F1033 HydrophobicContact CB-CE1 4.32Å; N1031-F1033 VanDerWaalsContact O-CD2 3.28Å; N1031-F1033 WeakPolarHBondContact O-CD2 3.19Å; N1031-F1033 WeakPolarHBondContact O-CE2 3.47Å; F1033-L1035 PolarHBondContact O-N 3Å; F1033-L1035 VanDerWaalsContact O-N 3.1Å; F1033-D1062 VanDerWaalsContact CA-OD2 3.3Å; F1033-D1062 WeakPolarHBondContact CA-OD2 3.37Å; F1033-D1062 HydrophobicContact CB-CB 3.9Å; F1033-D1062 WeakPolarHBondContact CB-OD2 3.25Å; F1033-D1062 PolarHBondContact N-OD2 3.29Å; F1033-W1063 AromaticContact CD2-CD1 3.82Å; F1033-W1063 AromaticContact CD2-NE1 3.87Å; F1033-L1066 HydrophobicContact CD1-CD2 4.04Å; F1033-L1066 HydrophobicContact CD2-CD2 4.25Å; F1033-L1066 HydrophobicContact CE1-CD2 3.91Å; F1033-L1066 HydrophobicContact CE2-CD2 4.17Å; F1033-L1066 HydrophobicContact CG-CD2 4.21Å; F1033-L1066 HydrophobicContact CZ-CD2 3.98Å; F1033-L1076 HydrophobicContact CD1-CD2 3.95Å; F1033-L1076 HydrophobicContact CE1-CD2 3.59Å; F1033-K1078 HydrophobicContact CE1-CD 3.76Å; F1033-K1078 HydrophobicContact CZ-CD 3.81Å
1034G85.9Confident90.1Very high13 Ų1321.8 Ų21.813%0.13412%0.12CC..SBendtrans-61.4-13175.700000115.4R962 D1062R962-G1034 PolarHBondContact NH2-O 3.48Å; R962-G1034 VanDerWaalsContact NH2-O 3.07Å; G1034-D1062 PolarHBondContact N-OD2 2.83Å; G1034-D1062 VanDerWaalsContact N-OD2 3.15Å
1035L91.5Very high90.5Very high11 Ų1127.1 Ų27.16%0.05814%0.143CC..SBendtrans-102.7115.2166.5-49.9-174.9000109F981 L982 C983 D984 I987 P1010 V1012 F1033 F1086F981-L1035 HydrophobicContact CZ-CB 4.3Å; L982-L1035 CarbonylContact O-C 3.57Å; L982-L1035 WeakPolarHBondContact O-CA 3.27Å; C983-L1035 HydrophobicContact CB-CD2 3.77Å; D984-L1035 HydrophobicContact CB-CD2 4.4Å; I987-L1035 HydrophobicContact CD1-CD1 4.01Å; I987-L1035 HydrophobicContact CD1-CD2 4.15Å; I987-L1035 HydrophobicContact CG1-CD1 4.4Å; I987-L1035 HydrophobicContact CG1-CD2 4.02Å; P1010-L1035 HydrophobicContact CG-CB 4.23Å; V1012-L1035 HydrophobicContact CB-CD1 4.09Å; V1012-L1035 HydrophobicContact CG1-CD1 4.1Å; F1033-L1035 PolarHBondContact O-N 3Å; F1033-L1035 VanDerWaalsContact O-N 3.1Å; L1035-F1086 HydrophobicContact CD1-CE1 4.32Å; L1035-F1086 HydrophobicContact CD1-CZ 3.74Å
1036F93.8Very high90.9Very high3 Ų325.1 Ų25.11%0.01313%0.132CC..EExtended strand (participates in β ladder)trans-149.2112.8-167.3-159.9-96.1000113.9F981 L982 A1007 A1009 I1038 L1065 Y1069 L1076F981-F1036 WeakPolarHBondContact CA-O 3.44Å; L982-F1036 HydrophobicContact CB-CB 4.34Å; L982-F1036 HydrophobicContact CD1-CB 4.36Å; L982-F1036 PolarHBondContact N-O 3.14Å; L982-F1036 PolarHBondContact O-N 3.43Å; A1007-F1036 HydrophobicContact CB-CE1 4.16Å; A1007-F1036 HydrophobicContact CB-CZ 4.03Å; A1009-F1036 HydrophobicContact CB-CD2 4.3Å; F1036-I1038 HydrophobicContact CD1-CB 4.1Å; F1036-I1038 HydrophobicContact CD1-CG2 3.9Å; F1036-I1038 HydrophobicContact CE1-CB 3.84Å; F1036-I1038 HydrophobicContact CE1-CD1 3.92Å; F1036-I1038 HydrophobicContact CE1-CG1 4.45Å; F1036-I1038 HydrophobicContact CE1-CG2 3.97Å; F1036-L1065 HydrophobicContact CD1-CD2 4.2Å; F1036-L1065 HydrophobicContact CE1-CD2 4.33Å; F1036-Y1069 HydrophobicContact CZ-CD2 4.26Å; F1036-Y1069 HydrophobicContact CZ-CG 4.24Å; F1036-L1076 HydrophobicContact CD2-CD1 4.36Å; F1036-L1076 HydrophobicContact CE2-CD1 3.46Å; F1036-L1076 VanDerWaalsContact CE2-CD1 3.46Å; F1036-L1076 HydrophobicContact CZ-CD1 3.89Å
1037G96Very high91.1Very high0 Ų027.7 Ų27.70%016%0.158CC..EExtended strand (participates in β ladder)trans-93.3125.7173.700000112.8V980 C1001 A1007 F1008V980-G1037 CarbonylContact O-C 3.41Å; V980-G1037 VanDerWaalsContact O-CA 3.28Å; V980-G1037 WeakPolarHBondContact O-CA 3.22Å; C1001-G1037 VanDerWaalsContact SG-C 3.55Å; A1007-G1037 CarbonylContact C-O 3.52Å; A1007-G1037 WeakPolarHBondContact CA-O 3Å; A1007-G1037 WeakPolarHBondContact CB-O 3.42Å; F1008-G1037 PolarHBondContact N-O 3.29Å; F1008-G1037 PolarHBondContact O-N 2.78Å
1038I96.6Very high91.5Very high0 Ų024.3 Ų24.30%015%0.146CC..EExtended strand (participates in β ladder)trans-154.7146.8-179.7-174.5165.2000111.1V980 A1007 F1036 D1042 F1043 I1046 Y1069V980-I1038 HydrophobicContact CB-CG2 4.39Å; V980-I1038 PolarHBondContact N-O 2.75Å; V980-I1038 PolarHBondContact O-N 2.96Å; A1007-I1038 HydrophobicContact CB-CB 4.09Å; A1007-I1038 HydrophobicContact CB-CD1 4.29Å; A1007-I1038 HydrophobicContact CB-CG1 4.13Å; F1036-I1038 HydrophobicContact CD1-CB 4.1Å; F1036-I1038 HydrophobicContact CD1-CG2 3.9Å; F1036-I1038 HydrophobicContact CE1-CB 3.84Å; F1036-I1038 HydrophobicContact CE1-CD1 3.92Å; F1036-I1038 HydrophobicContact CE1-CG1 4.45Å; F1036-I1038 HydrophobicContact CE1-CG2 3.97Å; I1038-D1042 HydrophobicContact CD1-CB 3.99Å; I1038-D1042 HydrophobicContact CG1-CB 3.76Å; I1038-F1043 HydrophobicContact CD1-CB 4.45Å; I1038-F1043 HydrophobicContact CG2-CB 4.04Å; I1038-F1043 HydrophobicContact CG2-CD2 4.15Å; I1038-I1046 HydrophobicContact CD1-CD1 4.29Å; I1038-Y1069 HydrophobicContact CD1-CD2 3.64Å; I1038-Y1069 HydrophobicContact CD1-CE2 3.69Å
1039Y97.6Very high91.9Very high4 Ų424.4 Ų24.42%0.01615%0.147CC..EExtended strand (participates in β ladder)trans-62.7140.9172-85.8-85.2000111.7V891 H977 S978 I979 C1001 E1003 S1041 D1042 F1043V891-Y1039 HydrophobicContact CG1-CE1 4.05Å; H977-Y1039 WeakPolarHBondContact O-CE1 3.28Å; S978-Y1039 WeakPolarHBondContact O-CA 3.47Å; S978-Y1039 VanDerWaalsContact O-CD1 3.24Å; S978-Y1039 WeakPolarHBondContact O-CD1 3.12Å; I979-Y1039 HydrophobicContact CD1-CE1 4.34Å; I979-Y1039 HydrophobicContact CD1-CE2 4.19Å; I979-Y1039 HydrophobicContact CG1-CD1 4Å; I979-Y1039 HydrophobicContact CG1-CD2 4.16Å; I979-Y1039 HydrophobicContact CG1-CE1 3.68Å; I979-Y1039 HydrophobicContact CG1-CE2 3.87Å; I979-Y1039 HydrophobicContact CG1-CG 4.23Å; C1001-Y1039 HydrophobicContact CB-CD2 4.18Å; C1001-Y1039 HydrophobicContact CB-CE2 3.9Å; C1001-Y1039 WeakPolarHBondContact O-CE2 3.15Å; E1003-Y1039 HydrophobicContact CB-CD1 4.12Å; E1003-Y1039 HydrophobicContact CB-CD2 3.74Å; E1003-Y1039 HydrophobicContact CB-CE1 4.37Å; E1003-Y1039 HydrophobicContact CB-CE2 4.01Å; E1003-Y1039 HydrophobicContact CB-CG 3.79Å; E1003-Y1039 HydrophobicContact CG-CD1 4.19Å; E1003-Y1039 HydrophobicContact CG-CD2 4.32Å; E1003-Y1039 HydrophobicContact CG-CG 3.9Å; E1003-Y1039 VanDerWaalsContact N-CE2 3.31Å; Y1039-S1041 VanDerWaalsContact C-N 3.31Å; Y1039-S1041 PolarHBondContact O-N 2.96Å; Y1039-D1042 WeakPolarHBondContact O-CA 3.47Å; Y1039-D1042 WeakPolarHBondContact O-CB 3.25Å; Y1039-D1042 PolarHBondContact O-N 2.97Å; Y1039-F1043 PolarHBondContact O-N 2.93Å
1040K98.1Very high92.4Very high14 Ų1424.6 Ų24.66%0.06115%0.149CC..Hα-helixtrans-53.5-48.3178.4178.763169.779.90111.4V970 I973 D975 S978 V980 D1042 F1043 D1044V970-K1040 HydrophobicContact CG1-CD 3.53Å; V970-K1040 WeakPolarHBondContact O-CE 3.47Å; I973-K1040 HydrophobicContact CB-CD 4.14Å; I973-K1040 HydrophobicContact CB-CG 4.5Å; I973-K1040 HydrophobicContact CG2-CB 4.39Å; I973-K1040 HydrophobicContact CG2-CD 4.23Å; I973-K1040 HydrophobicContact CG2-CG 4.1Å; I973-K1040 WeakPolarHBondContact O-CE 3.46Å; D975-K1040 WeakPolarHBondContact O-CB 3.17Å; S978-K1040 PolarHBondContact O-N 2.64Å; V980-K1040 HydrophobicContact CG2-CB 4.19Å; V980-K1040 HydrophobicContact CG2-CD 4.07Å; K1040-D1042 PolarHBondContact O-N 3.09Å; K1040-D1042 VanDerWaalsContact O-N 3.08Å; K1040-F1043 PolarHBondContact O-N 2.91Å; K1040-D1044 IonicContact NZ-OD1 3.28Å; K1040-D1044 PolarHBondContact NZ-OD1 2.83Å; K1040-D1044 IonicContact NZ-OD2 3.81Å; K1040-D1044 PolarHBondContact NZ-OD2 2.74Å; K1040-D1044 PolarHBondContact O-N 2.78Å
1041S97.3Very high92.9Very high17 Ų1726.1 Ų26.112%0.11916%0.159CC..Hα-helixtrans-59-24.1175.985.90000113.2S976 E1003 Y1039 K1045S976-S1041 VanDerWaalsContact O-CB 3.27Å; S976-S1041 WeakPolarHBondContact O-CB 3.34Å; S976-S1041 PolarHBondContact O-N 3.17Å; E1003-S1041 WeakPolarHBondContact OE1-CB 3.3Å; E1003-S1041 PolarHBondContact OE1-OG 2.97Å; Y1039-S1041 VanDerWaalsContact C-N 3.31Å; Y1039-S1041 PolarHBondContact O-N 2.96Å; S1041-K1045 WeakPolarHBondContact O-CD 3.36Å; S1041-K1045 VanDerWaalsContact O-CE 3.28Å; S1041-K1045 WeakPolarHBondContact O-CE 3.38Å; S1041-K1045 WeakPolarHBondContact O-CG 3.29Å; S1041-K1045 PolarHBondContact O-N 2.8Å; S1041-K1045 PolarHBondContact O-NZ 3.37Å; S1041-K1045 PolarHBondContact OG-NZ 3.13Å
1042D96.2Very high93.4Very high1 Ų130.2 Ų30.21%0.00518%0.175CC..Hα-helixtrans-90.5-29.9-179.1-90.7-23.6000114.3G1004 I1038 Y1039 K1040 K1045 I1046 K1074G1004-D1042 VanDerWaalsContact CA-OD2 3.29Å; G1004-D1042 WeakPolarHBondContact CA-OD2 3.38Å; G1004-D1042 PolarHBondContact N-OD2 3.06Å; I1038-D1042 HydrophobicContact CD1-CB 3.99Å; I1038-D1042 HydrophobicContact CG1-CB 3.76Å; Y1039-D1042 WeakPolarHBondContact O-CA 3.47Å; Y1039-D1042 WeakPolarHBondContact O-CB 3.25Å; Y1039-D1042 PolarHBondContact O-N 2.97Å; K1040-D1042 PolarHBondContact O-N 3.09Å; K1040-D1042 VanDerWaalsContact O-N 3.08Å; D1042-K1045 IonicContact OD1-NZ 2.97Å; D1042-K1045 PolarHBondContact OD1-NZ 2.61Å; D1042-I1046 PolarHBondContact O-N 3.06Å; D1042-K1074 VanDerWaalsContact CG-NZ 3.26Å; D1042-K1074 PolarHBondContact O-NZ 3.11Å; D1042-K1074 IonicContact OD1-NZ 3.48Å; D1042-K1074 PolarHBondContact OD1-NZ 2.72Å
1043F96.6Very high93.6Very high0 Ų031.9 Ų31.90%018%0.176CC..Hα-helixtrans-66.1-45169.1-179.3-97.9000110.6V970 L982 I1038 Y1039 K1040 K1045 I1046 G1047 G1048 M1049 L1065V970-F1043 HydrophobicContact CB-CE1 3.92Å; V970-F1043 HydrophobicContact CB-CZ 4.41Å; V970-F1043 HydrophobicContact CG1-CD1 3.56Å; V970-F1043 HydrophobicContact CG1-CE1 3.44Å; V970-F1043 VanDerWaalsContact CG1-CE1 3.44Å; V970-F1043 HydrophobicContact CG1-CG 4.46Å; V970-F1043 HydrophobicContact CG1-CZ 4.28Å; V970-F1043 HydrophobicContact CG2-CE1 4.23Å; V970-F1043 HydrophobicContact CG2-CZ 4.29Å; L982-F1043 HydrophobicContact CD1-CE2 4.13Å; I1038-F1043 HydrophobicContact CD1-CB 4.45Å; I1038-F1043 HydrophobicContact CG2-CB 4.04Å; I1038-F1043 HydrophobicContact CG2-CD2 4.15Å; Y1039-F1043 PolarHBondContact O-N 2.93Å; K1040-F1043 PolarHBondContact O-N 2.91Å; F1043-K1045 PolarHBondContact O-N 3.35Å; F1043-I1046 WeakPolarHBondContact O-CG1 3.41Å; F1043-I1046 PolarHBondContact O-N 2.88Å; F1043-I1046 VanDerWaalsContact O-N 3.17Å; F1043-G1047 PolarHBondContact O-N 3.3Å; F1043-G1048 VanDerWaalsContact CE1-CA 3.44Å; F1043-G1048 PolarHBondContact O-N 3.5Å; F1043-G1048 VanDerWaalsContact O-N 3.12Å; F1043-M1049 HydrophobicContact CE2-CG 4.43Å; F1043-M1049 HydrophobicContact CE2-SD 4.06Å; F1043-M1049 HydrophobicContact CZ-CG 4.01Å; F1043-M1049 HydrophobicContact CZ-SD 4.25Å; F1043-L1065 HydrophobicContact CE2-CD1 4.36Å
1044D96.3Very high93.5Very high73 Ų7331.7 Ų31.739%0.3918%0.176SC..Hα-helixtrans-62.5-43.3177.1-62.3-15.7000111.5K1040 I1046 G1047K1040-D1044 IonicContact NZ-OD1 3.28Å; K1040-D1044 PolarHBondContact NZ-OD1 2.83Å; K1040-D1044 IonicContact NZ-OD2 3.81Å; K1040-D1044 PolarHBondContact NZ-OD2 2.74Å; K1040-D1044 PolarHBondContact O-N 2.78Å; D1044-I1046 PolarHBondContact O-N 2.31Å; D1044-G1047 PolarHBondContact O-N 3Å
1045K94.6Very high93.3Very high113 Ų11335.5 Ų35.549%0.49119%0.188SC..Hα-helixtrans-59.4-26.2176.3-78.9176.4-142.599.10114S1041 D1042 F1043S1041-K1045 WeakPolarHBondContact O-CD 3.36Å; S1041-K1045 VanDerWaalsContact O-CE 3.28Å; S1041-K1045 WeakPolarHBondContact O-CE 3.38Å; S1041-K1045 WeakPolarHBondContact O-CG 3.29Å; S1041-K1045 PolarHBondContact O-N 2.8Å; S1041-K1045 PolarHBondContact O-NZ 3.37Å; S1041-K1045 PolarHBondContact OG-NZ 3.13Å; D1042-K1045 IonicContact OD1-NZ 2.97Å; D1042-K1045 PolarHBondContact OD1-NZ 2.61Å; F1043-K1045 PolarHBondContact O-N 3.35Å
1046I93.4Very high92.5Very high11 Ų1139.5 Ų39.56%0.05621%0.21CC..Hα-helixtrans-96.4-2.1178.266.7170.7000113.2I1038 D1042 F1043 D1044 L1065 R1068 Y1069 N1072I1038-I1046 HydrophobicContact CD1-CD1 4.29Å; D1042-I1046 PolarHBondContact O-N 3.06Å; F1043-I1046 WeakPolarHBondContact O-CG1 3.41Å; F1043-I1046 PolarHBondContact O-N 2.88Å; F1043-I1046 VanDerWaalsContact O-N 3.17Å; D1044-I1046 PolarHBondContact O-N 2.31Å; I1046-L1065 HydrophobicContact CD1-CD1 3.69Å; I1046-L1065 HydrophobicContact CD1-CG 4.36Å; I1046-R1068 PolarHBondContact O-NH1 3.4Å; I1046-Y1069 HydrophobicContact CD1-CD2 4.27Å; I1046-N1072 HydrophobicContact CG2-CB 4Å
1047G93.6Very high91.3Very high58 Ų5846.6 Ų46.660%0.59824%0.236SC*.THydrogen-bonded Turntrans89.821.3176.900000115.6F1043 D1044F1043-G1047 PolarHBondContact O-N 3.3Å; D1044-G1047 PolarHBondContact O-N 3Å
1048G94.6Very high90.1Very high3 Ų351 Ų513%0.03125%0.253CS..SBendtrans65.7-152.5173.700000115.6F1043 L1065 R1068F1043-G1048 VanDerWaalsContact CE1-CA 3.44Å; F1043-G1048 PolarHBondContact O-N 3.5Å; F1043-G1048 VanDerWaalsContact O-N 3.12Å; G1048-L1065 WeakPolarHBondContact O-CD1 3.03Å; G1048-R1068 VanDerWaalsContact O-CZ 3.28Å; G1048-R1068 PolarHBondContact O-NH1 3.01Å; G1048-R1068 PolarHBondContact O-NH2 2.97Å
1049M94.8Very high89.2Confident11 Ų1151.9 Ų51.95%0.05426%0.262CS..  trans-79.2144.1172-59.5-54.8-69.200111.4S963 L966 Q967 L982 F1043 T1051 E1061 L1065S963-M1049 WeakPolarHBondContact O-CB 3.36Å; L966-M1049 HydrophobicContact CB-CG 4.11Å; L966-M1049 HydrophobicContact CD1-CE 4.2Å; Q967-M1049 HydrophobicContact CB-CB 4.19Å; Q967-M1049 HydrophobicContact CB-CG 4.29Å; L982-M1049 HydrophobicContact CD1-SD 4.01Å; F1043-M1049 HydrophobicContact CE2-CG 4.43Å; F1043-M1049 HydrophobicContact CE2-SD 4.06Å; F1043-M1049 HydrophobicContact CZ-CG 4.01Å; F1043-M1049 HydrophobicContact CZ-SD 4.25Å; M1049-T1051 VanDerWaalsContact C-N 3.33Å; M1049-T1051 HydrophobicContact CB-CG2 4.19Å; M1049-T1051 PolarHBondContact O-N 2.85Å; M1049-E1061 HydrophobicContact CE-CB 4.3Å; M1049-E1061 HydrophobicContact CE-CG 3.83Å; M1049-L1065 HydrophobicContact SD-CD1 4.43Å; M1049-L1065 HydrophobicContact SD-CD2 4.01Å
1050N93.3Very high88.6Confident39 Ų3952 Ų5221%0.20926%0.264CS..  trans-78.882.2169.4180-9.7000109.9E1052 E1053 F1054 E1064N1050-E1052 VanDerWaalsContact C-N 3.34Å; N1050-E1053 WeakPolarHBondContact OD1-CB 3.33Å; N1050-E1053 PolarHBondContact OD1-N 2.94Å; N1050-F1054 HydrophobicContact CB-CD2 4.08Å; N1050-F1054 HydrophobicContact CB-CE2 4.4Å; N1050-F1054 PolarHBondContact O-N 2.94Å; N1050-E1064 WeakPolarHBondContact CB-OE2 3.4Å
1051T91.6Very high88.1Confident51 Ų5151.7 Ų51.731%0.31326%0.263SS..THydrogen-bonded Turntrans-73.9-21.7-17859.70000113.5A964 Q967 M1049 K1055A964-T1051 HydrophobicContact CB-CG2 4.27Å; Q967-T1051 HydrophobicContact CB-CG2 3.84Å; Q967-T1051 HydrophobicContact CG-CG2 4.23Å; M1049-T1051 VanDerWaalsContact C-N 3.33Å; M1049-T1051 HydrophobicContact CB-CG2 4.19Å; M1049-T1051 PolarHBondContact O-N 2.85Å; T1051-K1055 WeakPolarHBondContact O-CB 3.26Å
1052E90.2Very high87.7Confident183 Ų18351.9 Ų51.986%0.85526%0.263SS*.THydrogen-bonded Turntrans-74.9-41.2179.4-64.9-169.9167.900112.5N1050N1050-E1052 VanDerWaalsContact C-N 3.34Å
1053E86.8Confident87.5Confident58 Ų5855.2 Ų55.227%0.27128%0.275SS..THydrogen-bonded Turntrans-84.1-37.4-179.8-159.5-167.7151.200112.8R371 N1050 K1055 R1057R371-E1053 IonicContact CZ-OE1 2.92Å; R371-E1053 VanDerWaalsContact CZ-OE1 3.24Å; R371-E1053 IonicContact CZ-OE2 2.79Å; R371-E1053 VanDerWaalsContact NH1-CD 3.25Å; R371-E1053 IonicContact NH1-OE1 3.13Å; R371-E1053 PolarHBondContact NH1-OE1 2.76Å; R371-E1053 IonicContact NH1-OE2 2.74Å; R371-E1053 PolarHBondContact NH1-OE2 2.95Å; R371-E1053 IonicContact NH2-OE1 2.73Å; R371-E1053 PolarHBondContact NH2-OE1 2.98Å; R371-E1053 IonicContact NH2-OE2 3.64Å; N1050-E1053 WeakPolarHBondContact OD1-CB 3.33Å; N1050-E1053 PolarHBondContact OD1-N 2.94Å; E1053-K1055 VanDerWaalsContact C-N 3.34Å; E1053-K1055 PolarHBondContact O-N 3.09Å; E1053-R1057 IonicContact OE1-NH1 2.75Å; E1053-R1057 PolarHBondContact OE1-NH1 3.49Å
1054F85.9Confident87.3Confident3 Ų356.4 Ų56.41%0.01328%0.281CS..SBendtrans-102.941.3-176.4-59.3-85.9000112.1R371 S963 N1050 R1057 G1059 G1060 E1061 E1064R371-F1054 VanDerWaalsContact NH2-CZ 3.33Å; S963-F1054 WeakPolarHBondContact CB-O 3.43Å; S963-F1054 WeakPolarHBondContact OG-CB 3.44Å; S963-F1054 PolarHBondContact OG-O 3.22Å; N1050-F1054 HydrophobicContact CB-CD2 4.08Å; N1050-F1054 HydrophobicContact CB-CE2 4.4Å; N1050-F1054 PolarHBondContact O-N 2.94Å; F1054-R1057 HydrophobicContact CD1-CB 4.44Å; F1054-G1059 WeakPolarHBondContact CE1-O 3.41Å; F1054-G1060 VanDerWaalsContact CE1-C 3.48Å; F1054-G1060 WeakPolarHBondContact CZ-O 3.07Å; F1054-E1061 HydrophobicContact CB-CB 3.92Å; F1054-E1061 HydrophobicContact CD1-CB 3.73Å; F1054-E1061 HydrophobicContact CD2-CB 3.78Å; F1054-E1061 HydrophobicContact CE1-CB 4.11Å; F1054-E1061 VanDerWaalsContact CE1-N 3.33Å; F1054-E1061 HydrophobicContact CE2-CB 4.16Å; F1054-E1061 HydrophobicContact CG-CB 3.54Å; F1054-E1061 HydrophobicContact CZ-CB 4.29Å; F1054-E1064 HydrophobicContact CE2-CB 3.88Å; F1054-E1064 HydrophobicContact CE2-CG 4.03Å; F1054-E1064 HydrophobicContact CZ-CB 4.08Å
1055K80.8Confident87.1Confident93 Ų9353.1 Ų53.140%0.40426%0.263SS..SBendtrans-74.8-77.5171.8-165.3-167.5177.7-1670110.1E961 T1051 E1053 R1057E961-K1055 HydrophobicContact CG-CG 4.19Å; E961-K1055 WeakPolarHBondContact OE1-CE 3.13Å; E961-K1055 IonicContact OE1-NZ 3.95Å; E961-K1055 WeakPolarHBondContact OE2-CE 3.22Å; E961-K1055 WeakPolarHBondContact OE2-CG 3.43Å; T1051-K1055 WeakPolarHBondContact O-CB 3.26Å; E1053-K1055 VanDerWaalsContact C-N 3.34Å; E1053-K1055 PolarHBondContact O-N 3.09Å; K1055-R1057 PolarHBondContact O-N 2.97Å
1056D73.6Confident86.9Confident94 Ų9447.8 Ų47.850%0.50324%0.24SC..SBendtrans-90.639.7178.5-41.9-80.3000111.2F1104D1056-F1104 HydrophobicContact CB-CE1 4.33Å; D1056-F1104 VanDerWaalsContact O-CE1 3.28Å; D1056-F1104 WeakPolarHBondContact O-CE1 3.29Å
1057R69.3Low86.7Confident152 Ų15247.8 Ų47.857%0.57424%0.24SC*.  trans-148.4127.4-177.6-66.3-174.7179.7166.93.2112.4E1053 F1054 K1055E1053-R1057 IonicContact OE1-NH1 2.75Å; E1053-R1057 PolarHBondContact OE1-NH1 3.49Å; F1054-R1057 HydrophobicContact CD1-CB 4.44Å; K1055-R1057 PolarHBondContact O-N 2.97Å
1058W70.9Confident86.6Confident93 Ų9347 Ų4735%0.35222%0.219SC..  trans-94.2134.8169.3-166.1-70.7000110.9F960 R962F960-W1058 HydrophobicContact CD1-CZ3 4.47Å; F960-W1058 HydrophobicContact CE1-CE3 4.43Å; F960-W1058 HydrophobicContact CE1-CH2 4.46Å; F960-W1058 AromaticContact CE1-CZ3 3.66Å; F960-W1058 HydrophobicContact CE1-CZ3 3.66Å; F960-W1058 HydrophobicContact CZ-CZ3 4.38Å; R962-W1058 HydrophobicContact CB-CZ3 4.47Å
1059G77.8Confident86.3Confident18 Ų1846.9 Ų46.919%0.18622%0.218CC..SBendtrans95.7132.7166.300000115.1F1054 E1061F1054-G1059 WeakPolarHBondContact CE1-O 3.41Å; G1059-E1061 VanDerWaalsContact C-OE2 3.24Å; G1059-E1061 WeakPolarHBondContact CA-OE2 3.2Å; G1059-E1061 PolarHBondContact N-OE2 3.45Å; G1059-E1061 VanDerWaalsContact N-OE2 3.11Å
1060G84.4Confident85.8Confident6 Ų646.9 Ų46.96%0.06222%0.217CC..SBendtrans91.3-2.1-179.800000114.3Y372 F1054 D1062 W1063 E1064Y372-G1060 WeakPolarHBondContact CE1-O 3.4Å; F1054-G1060 VanDerWaalsContact CE1-C 3.48Å; F1054-G1060 WeakPolarHBondContact CZ-O 3.07Å; G1060-D1062 VanDerWaalsContact C-N 3.27Å; G1060-W1063 PolarHBondContact O-N 2.9Å; G1060-E1064 WeakPolarHBondContact O-CB 3.45Å; G1060-E1064 PolarHBondContact O-N 3.38Å
1061E89Confident85.4Confident8 Ų849.4 Ų49.44%0.03723%0.228CC..Hα-helixtrans-67.5-31.5170.377.9-74.2-175.400111.6R962 M1049 F1054 G1059 L1065R962-E1061 WeakPolarHBondContact CD-OE1 3.41Å; R962-E1061 IonicContact CZ-OE1 3.76Å; R962-E1061 IonicContact NE-OE1 3.82Å; R962-E1061 IonicContact NH1-OE1 2.71Å; R962-E1061 PolarHBondContact NH1-OE1 3.13Å; M1049-E1061 HydrophobicContact CE-CB 4.3Å; M1049-E1061 HydrophobicContact CE-CG 3.83Å; F1054-E1061 HydrophobicContact CB-CB 3.92Å; F1054-E1061 HydrophobicContact CD1-CB 3.73Å; F1054-E1061 HydrophobicContact CD2-CB 3.78Å; F1054-E1061 HydrophobicContact CE1-CB 4.11Å; F1054-E1061 VanDerWaalsContact CE1-N 3.33Å; F1054-E1061 HydrophobicContact CE2-CB 4.16Å; F1054-E1061 HydrophobicContact CG-CB 3.54Å; F1054-E1061 HydrophobicContact CZ-CB 4.29Å; G1059-E1061 VanDerWaalsContact C-OE2 3.24Å; G1059-E1061 WeakPolarHBondContact CA-OE2 3.2Å; G1059-E1061 PolarHBondContact N-OE2 3.45Å; G1059-E1061 VanDerWaalsContact N-OE2 3.11Å; E1061-L1065 WeakPolarHBondContact O-CB 3.3Å; E1061-L1065 PolarHBondContact O-N 2.75Å
1062D88.6Confident84.9Confident21 Ų2151 Ų5111%0.11223%0.234CC..Hα-helixtrans-72.5-39.1175.367.8-32.2000111.9F1033 G1034 G1060 L1066F1033-D1062 VanDerWaalsContact CA-OD2 3.3Å; F1033-D1062 WeakPolarHBondContact CA-OD2 3.37Å; F1033-D1062 HydrophobicContact CB-CB 3.9Å; F1033-D1062 WeakPolarHBondContact CB-OD2 3.25Å; F1033-D1062 PolarHBondContact N-OD2 3.29Å; G1034-D1062 PolarHBondContact N-OD2 2.83Å; G1034-D1062 VanDerWaalsContact N-OD2 3.15Å; G1060-D1062 VanDerWaalsContact C-N 3.27Å; D1062-L1066 VanDerWaalsContact O-CB 3.3Å; D1062-L1066 WeakPolarHBondContact O-CB 3.48Å; D1062-L1066 PolarHBondContact O-N 3.15Å
1063W90.9Very high84.1Confident72 Ų7243.5 Ų43.527%0.27321%0.207SC..Hα-helixtrans-69.4-34.3173.1-66.57.7000112.3Y372 L375 N1031 F1033 G1060 L1066 D1067Y372-W1063 HydrophobicContact CD1-CB 3.49Å; Y372-W1063 VanDerWaalsContact CD1-CB 3.49Å; Y372-W1063 HydrophobicContact CD1-CE3 4.17Å; Y372-W1063 AromaticContact CD2-CE3 3.68Å; Y372-W1063 HydrophobicContact CD2-CE3 3.68Å; Y372-W1063 HydrophobicContact CD2-CZ3 4.17Å; Y372-W1063 HydrophobicContact CE1-CB 3.86Å; Y372-W1063 HydrophobicContact CE2-CE3 4.13Å; Y372-W1063 HydrophobicContact CG-CB 4.13Å; Y372-W1063 AromaticContact CG-CE3 3.69Å; Y372-W1063 HydrophobicContact CG-CE3 3.69Å; L375-W1063 HydrophobicContact CD1-CD2 3.81Å; L375-W1063 HydrophobicContact CD1-CE3 3.87Å; L375-W1063 HydrophobicContact CD1-CG 4.36Å; L375-W1063 HydrophobicContact CD1-CH2 4.24Å; L375-W1063 HydrophobicContact CD1-CZ2 4.19Å; L375-W1063 HydrophobicContact CD1-CZ3 4.09Å; L375-W1063 HydrophobicContact CD2-CD2 4.4Å; L375-W1063 HydrophobicContact CD2-CG 4.3Å; L375-W1063 HydrophobicContact CG-CD2 4.49Å; N1031-W1063 HydrophobicContact CB-CZ2 4.38Å; N1031-W1063 PolarHBondContact O-NE1 2.79Å; F1033-W1063 AromaticContact CD2-CD1 3.82Å; F1033-W1063 AromaticContact CD2-NE1 3.87Å; G1060-W1063 PolarHBondContact O-N 2.9Å; W1063-L1066 WeakPolarHBondContact O-CB 3.24Å; W1063-L1066 PolarHBondContact O-N 3.13Å; W1063-D1067 PolarHBondContact O-N 3.17Å
1064E92.9Very high83.4Confident25 Ų2541.5 Ų41.512%0.11720%0.197CC..Hα-helixtrans-71.7-42.5175.1-169.1-80.1158.600112Y372 N1050 F1054 G1060 L1066 D1067 R1068Y372-E1064 HydrophobicContact CE1-CB 4.43Å; N1050-E1064 WeakPolarHBondContact CB-OE2 3.4Å; F1054-E1064 HydrophobicContact CE2-CB 3.88Å; F1054-E1064 HydrophobicContact CE2-CG 4.03Å; F1054-E1064 HydrophobicContact CZ-CB 4.08Å; G1060-E1064 WeakPolarHBondContact O-CB 3.45Å; G1060-E1064 PolarHBondContact O-N 3.38Å; E1064-L1066 VanDerWaalsContact C-N 3.26Å; E1064-L1066 PolarHBondContact O-N 3.43Å; E1064-D1067 WeakPolarHBondContact O-CB 3.31Å; E1064-D1067 PolarHBondContact O-N 2.88Å; E1064-R1068 VanDerWaalsContact CD-NE 3.29Å; E1064-R1068 PolarHBondContact O-N 3.22Å; E1064-R1068 VanDerWaalsContact O-N 3.16Å; E1064-R1068 WeakPolarHBondContact OE1-CD 3.35Å; E1064-R1068 IonicContact OE1-CZ 2.88Å; E1064-R1068 IonicContact OE1-NE 3.72Å; E1064-R1068 PolarHBondContact OE1-NE 3.44Å; E1064-R1068 IonicContact OE1-NH2 2.82Å; E1064-R1068 IonicContact OE2-CZ 3.66Å; E1064-R1068 IonicContact OE2-NE 3.35Å; E1064-R1068 PolarHBondContact OE2-NE 3.34Å; E1064-R1068 VanDerWaalsContact OE2-NE 3.14Å; E1064-R1068 IonicContact OE2-NH2 3.02Å; E1064-R1068 PolarHBondContact OE2-NH2 3.34Å
1065L92Very high82.7Confident4 Ų441.8 Ų41.82%0.02120%0.199CC..Hα-helixtrans-59.2-40171.2-174.270000111L982 F1036 F1043 I1046 G1048 M1049 E1061 R1068 Y1069L982-L1065 HydrophobicContact CD1-CD2 4.02Å; F1036-L1065 HydrophobicContact CD1-CD2 4.2Å; F1036-L1065 HydrophobicContact CE1-CD2 4.33Å; F1043-L1065 HydrophobicContact CE2-CD1 4.36Å; I1046-L1065 HydrophobicContact CD1-CD1 3.69Å; I1046-L1065 HydrophobicContact CD1-CG 4.36Å; G1048-L1065 WeakPolarHBondContact O-CD1 3.03Å; M1049-L1065 HydrophobicContact SD-CD1 4.43Å; M1049-L1065 HydrophobicContact SD-CD2 4.01Å; E1061-L1065 WeakPolarHBondContact O-CB 3.3Å; E1061-L1065 PolarHBondContact O-N 2.75Å; L1065-R1068 PolarHBondContact O-N 3.06Å; L1065-Y1069 VanDerWaalsContact O-CB 3.26Å; L1065-Y1069 WeakPolarHBondContact O-CB 3.43Å; L1065-Y1069 PolarHBondContact O-N 3.34Å
1066L90.4Very high82Confident0 Ų037.4 Ų37.40%018%0.18CC..Hα-helixtrans-62.7-43.1175175.963.6000112.5L375 V378 F1033 D1062 W1063 E1064 Y1069 K1070 L1076L375-L1066 HydrophobicContact CD2-CD2 3.77Å; L375-L1066 HydrophobicContact CG-CD2 4.31Å; V378-L1066 HydrophobicContact CG2-CD1 4.25Å; V378-L1066 HydrophobicContact CG2-CD2 3.97Å; F1033-L1066 HydrophobicContact CD1-CD2 4.04Å; F1033-L1066 HydrophobicContact CD2-CD2 4.25Å; F1033-L1066 HydrophobicContact CE1-CD2 3.91Å; F1033-L1066 HydrophobicContact CE2-CD2 4.17Å; F1033-L1066 HydrophobicContact CG-CD2 4.21Å; F1033-L1066 HydrophobicContact CZ-CD2 3.98Å; D1062-L1066 VanDerWaalsContact O-CB 3.3Å; D1062-L1066 WeakPolarHBondContact O-CB 3.48Å; D1062-L1066 PolarHBondContact O-N 3.15Å; W1063-L1066 WeakPolarHBondContact O-CB 3.24Å; W1063-L1066 PolarHBondContact O-N 3.13Å; E1064-L1066 VanDerWaalsContact C-N 3.26Å; E1064-L1066 PolarHBondContact O-N 3.43Å; L1066-Y1069 PolarHBondContact O-N 3.24Å; L1066-K1070 HydrophobicContact CD1-CD 4.48Å; L1066-K1070 HydrophobicContact CD1-CG 3.89Å; L1066-K1070 HydrophobicContact CG-CG 4.33Å; L1066-K1070 WeakPolarHBondContact O-CB 3.21Å; L1066-K1070 WeakPolarHBondContact O-CG 3.31Å; L1066-K1070 PolarHBondContact O-N 2.78Å; L1066-L1076 HydrophobicContact CD1-CD2 3.8Å
1067D90.1Very high81.7Confident11 Ų1133 Ų336%0.05916%0.156CC..Hα-helixtrans-57.1-53.5175.5-68-35000110.7I369 R371 Y372 Q373 G374 W1063 E1064 Y1069 K1070 Q1071I369-D1067 HydrophobicContact CG2-CB 4.23Å; R371-D1067 WeakPolarHBondContact CA-OD2 3.29Å; Y372-D1067 WeakPolarHBondContact CA-OD1 3.46Å; Y372-D1067 WeakPolarHBondContact CA-OD2 3.26Å; Y372-D1067 PolarHBondContact N-OD1 3.29Å; Y372-D1067 PolarHBondContact N-OD2 2.79Å; Q373-D1067 PolarHBondContact N-OD1 2.7Å; G374-D1067 WeakPolarHBondContact CA-OD1 3.39Å; G374-D1067 PolarHBondContact N-OD1 3.05Å; W1063-D1067 PolarHBondContact O-N 3.17Å; E1064-D1067 WeakPolarHBondContact O-CB 3.31Å; E1064-D1067 PolarHBondContact O-N 2.88Å; D1067-Y1069 VanDerWaalsContact C-N 3.33Å; D1067-Y1069 PolarHBondContact O-N 2.95Å; D1067-K1070 PolarHBondContact O-N 2.88Å; D1067-Q1071 WeakPolarHBondContact O-CB 3.08Å; D1067-Q1071 PolarHBondContact O-N 2.88Å
1068R90.6Very high81.8Confident42 Ų4226 Ų2616%0.15813%0.13CC..Hα-helixtrans-61.6-39.6179.5-74.3-171.2-74.4118.40.6112.3I1046 G1048 E1064 L1065 N1072I1046-R1068 PolarHBondContact O-NH1 3.4Å; G1048-R1068 VanDerWaalsContact O-CZ 3.28Å; G1048-R1068 PolarHBondContact O-NH1 3.01Å; G1048-R1068 PolarHBondContact O-NH2 2.97Å; E1064-R1068 VanDerWaalsContact CD-NE 3.29Å; E1064-R1068 PolarHBondContact O-N 3.22Å; E1064-R1068 VanDerWaalsContact O-N 3.16Å; E1064-R1068 WeakPolarHBondContact OE1-CD 3.35Å; E1064-R1068 IonicContact OE1-CZ 2.88Å; E1064-R1068 IonicContact OE1-NE 3.72Å; E1064-R1068 PolarHBondContact OE1-NE 3.44Å; E1064-R1068 IonicContact OE1-NH2 2.82Å; E1064-R1068 IonicContact OE2-CZ 3.66Å; E1064-R1068 IonicContact OE2-NE 3.35Å; E1064-R1068 PolarHBondContact OE2-NE 3.34Å; E1064-R1068 VanDerWaalsContact OE2-NE 3.14Å; E1064-R1068 IonicContact OE2-NH2 3.02Å; E1064-R1068 PolarHBondContact OE2-NH2 3.34Å; L1065-R1068 PolarHBondContact O-N 3.06Å; R1068-N1072 PolarHBondContact O-N 2.82Å; R1068-N1072 PolarHBondContact O-ND2 2.79Å
1069Y88.4Confident81.1Confident0 Ų021.6 Ų21.60%011%0.113CC..Hα-helixtrans-61.9-46.2175.2178.9-89000112.3A1007 F1036 I1038 I1046 L1065 L1066 D1067 N1072 K1074 Q1075 L1076A1007-Y1069 HydrophobicContact CB-CD2 4.26Å; A1007-Y1069 HydrophobicContact CB-CE1 4.2Å; A1007-Y1069 HydrophobicContact CB-CE2 3.39Å; A1007-Y1069 VanDerWaalsContact CB-OH 3.3Å; A1007-Y1069 WeakPolarHBondContact CB-OH 3.31Å; A1007-Y1069 PolarHBondContact N-OH 2.7Å; F1036-Y1069 HydrophobicContact CZ-CD2 4.26Å; F1036-Y1069 HydrophobicContact CZ-CG 4.24Å; I1038-Y1069 HydrophobicContact CD1-CD2 3.64Å; I1038-Y1069 HydrophobicContact CD1-CE2 3.69Å; I1046-Y1069 HydrophobicContact CD1-CD2 4.27Å; L1065-Y1069 VanDerWaalsContact O-CB 3.26Å; L1065-Y1069 WeakPolarHBondContact O-CB 3.43Å; L1065-Y1069 PolarHBondContact O-N 3.34Å; L1066-Y1069 PolarHBondContact O-N 3.24Å; D1067-Y1069 VanDerWaalsContact C-N 3.33Å; D1067-Y1069 PolarHBondContact O-N 2.95Å; Y1069-N1072 PolarHBondContact O-N 3.4Å; Y1069-K1074 HydrophobicContact CD1-CB 4.3Å; Y1069-K1074 HydrophobicContact CD2-CB 4.33Å; Y1069-K1074 HydrophobicContact CD2-CD 4.1Å; Y1069-K1074 HydrophobicContact CE1-CB 3.63Å; Y1069-K1074 HydrophobicContact CE2-CB 3.68Å; Y1069-K1074 HydrophobicContact CE2-CD 3.64Å; Y1069-K1074 HydrophobicContact CE2-CG 4.27Å; Y1069-K1074 VanDerWaalsContact OH-CB 3.3Å; Y1069-K1074 WeakPolarHBondContact OH-CB 3.29Å; Y1069-Q1075 PolarHBondContact OH-O 3.28Å; Y1069-Q1075 VanDerWaalsContact OH-O 3.07Å; Y1069-L1076 HydrophobicContact CE1-CB 4.16Å; Y1069-L1076 HydrophobicContact CE1-CD1 4.39Å
1070K84.8Confident79.9Confident11 Ų1121 Ų215%0.04811%0.106CC..Hα-helixtrans-67-41178.7-70.5-76.6-177.7174.20112.1I369 F377 L1066 D1067 N1072 G1073I369-K1070 HydrophobicContact CD1-CB 3.34Å; F377-K1070 HydrophobicContact CB-CD 4.17Å; F377-K1070 PolarHBondContact O-NZ 2.82Å; L1066-K1070 HydrophobicContact CD1-CD 4.48Å; L1066-K1070 HydrophobicContact CD1-CG 3.89Å; L1066-K1070 HydrophobicContact CG-CG 4.33Å; L1066-K1070 WeakPolarHBondContact O-CB 3.21Å; L1066-K1070 WeakPolarHBondContact O-CG 3.31Å; L1066-K1070 PolarHBondContact O-N 2.78Å; D1067-K1070 PolarHBondContact O-N 2.88Å; K1070-N1072 PolarHBondContact O-N 3.44Å; K1070-G1073 PolarHBondContact O-N 3.2Å; K1070-G1073 VanDerWaalsContact O-N 3.08Å
1071Q84.4Confident78.2Confident93 Ų9321 Ų2144%0.43510%0.104SC..Hα-helixtrans-63.5-27.9179.3-169.8177.713.400112.3I369 D1067 G1073I369-Q1071 HydrophobicContact CD1-CB 4.24Å; I369-Q1071 HydrophobicContact CG1-CB 4.42Å; D1067-Q1071 WeakPolarHBondContact O-CB 3.08Å; D1067-Q1071 PolarHBondContact O-N 2.88Å; Q1071-G1073 PolarHBondContact O-N 3.48Å
1072N81.9Confident76.2Confident83 Ų8321.2 Ų21.244%0.44411%0.106SC..THydrogen-bonded Turntrans-7811.7174.5-85.3-91.6000114.3I1046 R1068 Y1069 K1070 K1074I1046-N1072 HydrophobicContact CG2-CB 4Å; R1068-N1072 PolarHBondContact O-N 2.82Å; R1068-N1072 PolarHBondContact O-ND2 2.79Å; Y1069-N1072 PolarHBondContact O-N 3.4Å; K1070-N1072 PolarHBondContact O-N 3.44Å; N1072-K1074 VanDerWaalsContact C-N 3.32Å; N1072-K1074 HydrophobicContact CB-CG 4.33Å; N1072-K1074 PolarHBondContact O-N 2.86Å
1073G72.1Confident74.5Confident27 Ų2720.5 Ų20.528%0.27810%0.102SC..THydrogen-bonded Turntrans69.525.3174.400000115V363 V364 K1070 Q1071V363-G1073 WeakPolarHBondContact CG1-O 3.44Å; V364-G1073 VanDerWaalsContact O-CA 3.27Å; V364-G1073 WeakPolarHBondContact O-CA 3.49Å; K1070-G1073 PolarHBondContact O-N 3.2Å; K1070-G1073 VanDerWaalsContact O-N 3.08Å; Q1071-G1073 PolarHBondContact O-N 3.48Å
1074K73.4Confident72.7Confident16 Ų1618.6 Ų18.67%0.0710%0.1CC..PPolyproline II helixtrans-101.8150179.7-49.3-172.5-168.5-174.90111.2D1042 Y1069 N1072D1042-K1074 VanDerWaalsContact CG-NZ 3.26Å; D1042-K1074 PolarHBondContact O-NZ 3.11Å; D1042-K1074 IonicContact OD1-NZ 3.48Å; D1042-K1074 PolarHBondContact OD1-NZ 2.72Å; Y1069-K1074 HydrophobicContact CD1-CB 4.3Å; Y1069-K1074 HydrophobicContact CD2-CB 4.33Å; Y1069-K1074 HydrophobicContact CD2-CD 4.1Å; Y1069-K1074 HydrophobicContact CE1-CB 3.63Å; Y1069-K1074 HydrophobicContact CE2-CB 3.68Å; Y1069-K1074 HydrophobicContact CE2-CD 3.64Å; Y1069-K1074 HydrophobicContact CE2-CG 4.27Å; Y1069-K1074 VanDerWaalsContact OH-CB 3.3Å; Y1069-K1074 WeakPolarHBondContact OH-CB 3.29Å; N1072-K1074 VanDerWaalsContact C-N 3.32Å; N1072-K1074 HydrophobicContact CB-CG 4.33Å; N1072-K1074 PolarHBondContact O-N 2.86Å
1075Q69.8Low71.3Confident9 Ų919.2 Ų19.24%0.04211%0.106CC..EExtended strand (participates in β ladder)trans-96.8120.2-178.8168.7179.617.200111.3Y362 V363 R821 R1005 L1006 A1007 Y1069Y362-Q1075 HydrophobicContact CE2-CG 4.19Å; Y362-Q1075 PolarHBondContact OH-NE2 3.4Å; V363-Q1075 HydrophobicContact CG2-CB 4.03Å; R821-Q1075 VanDerWaalsContact NH2-NE2 3.17Å; R1005-Q1075 PolarHBondContact O-N 2.96Å; L1006-Q1075 WeakPolarHBondContact CA-O 3.36Å; L1006-Q1075 HydrophobicContact CD2-CB 3.75Å; L1006-Q1075 HydrophobicContact CD2-CG 3.63Å; A1007-Q1075 PolarHBondContact N-O 3.32Å; Y1069-Q1075 PolarHBondContact OH-O 3.28Å; Y1069-Q1075 VanDerWaalsContact OH-O 3.07Å
1076L66.1Low71Confident1 Ų119.1 Ų19.11%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-78.3131.6165.6-165.277.5000110.8V378 A1007 A1009 F1033 F1036 L1066 Y1069V378-L1076 HydrophobicContact CG2-CD2 4.11Å; A1007-L1076 HydrophobicContact CB-CD1 4.12Å; A1009-L1076 HydrophobicContact CB-CD1 4.12Å; A1009-L1076 HydrophobicContact CB-CD2 3.93Å; A1009-L1076 HydrophobicContact CB-CG 4.28Å; F1033-L1076 HydrophobicContact CD1-CD2 3.95Å; F1033-L1076 HydrophobicContact CE1-CD2 3.59Å; F1036-L1076 HydrophobicContact CD2-CD1 4.36Å; F1036-L1076 HydrophobicContact CE2-CD1 3.46Å; F1036-L1076 VanDerWaalsContact CE2-CD1 3.46Å; F1036-L1076 HydrophobicContact CZ-CD1 3.89Å; L1066-L1076 HydrophobicContact CD1-CD2 3.8Å; Y1069-L1076 HydrophobicContact CE1-CB 4.16Å; Y1069-L1076 HydrophobicContact CE1-CD1 4.39Å
1077K67.9Low70.8Confident2 Ų219.1 Ų19.11%0.00911%0.105CC..EExtended strand (participates in β ladder)trans-96.9112.9165.8177.957.7161150.20108.1S381 E811 H1000 A1007 F1008 A1009 I1079S381-K1077 PolarHBondContact OG-NZ 2.8Å; E811-K1077 WeakPolarHBondContact OE2-CE 3.47Å; E811-K1077 IonicContact OE2-NZ 3.57Å; E811-K1077 PolarHBondContact OE2-NZ 2.84Å; H1000-K1077 HydrophobicContact CB-CG 4.03Å; H1000-K1077 VanDerWaalsContact CD2-CE 3.4Å; H1000-K1077 WeakPolarHBondContact CD2-CE 3.36Å; H1000-K1077 VanDerWaalsContact NE2-CE 3.33Å; H1000-K1077 WeakPolarHBondContact NE2-CE 3.18Å; A1007-K1077 PolarHBondContact O-N 3Å; F1008-K1077 HydrophobicContact CD2-CG 4.32Å; A1009-K1077 PolarHBondContact N-O 3.37Å; K1077-I1079 HydrophobicContact CD-CD1 4.07Å; K1077-I1079 HydrophobicContact CD-CG1 3.93Å; K1077-I1079 VanDerWaalsContact CE-CD1 3.45Å; K1077-I1079 HydrophobicContact CG-CD1 4.01Å; K1077-I1079 HydrophobicContact CG-CG1 4.03Å
1078K70.4Confident70.7Confident3 Ų319 Ų191%0.01310%0.104CC..EExtended strand (participates in β ladder)trans-116.1138.4171.6-168.4172.3-177.382.50108.9V378 S381 A1009 I1011 V1030 G1032 F1033V378-K1078 HydrophobicContact CG1-CB 3.98Å; V378-K1078 HydrophobicContact CG1-CD 3.54Å; V378-K1078 HydrophobicContact CG1-CG 4.39Å; S381-K1078 PolarHBondContact OG-O 2.95Å; A1009-K1078 WeakPolarHBondContact O-CA 3.18Å; A1009-K1078 WeakPolarHBondContact O-CG 3.41Å; I1011-K1078 HydrophobicContact CD1-CD 4.31Å; I1011-K1078 HydrophobicContact CD1-CG 3.99Å; I1011-K1078 HydrophobicContact CG1-CD 4.24Å; I1011-K1078 HydrophobicContact CG1-CG 3.87Å; V1030-K1078 WeakPolarHBondContact O-CE 3.25Å; V1030-K1078 PolarHBondContact O-NZ 2.81Å; G1032-K1078 PolarHBondContact O-NZ 3.5Å; F1033-K1078 HydrophobicContact CE1-CD 3.76Å; F1033-K1078 HydrophobicContact CZ-CD 3.81Å
1079I56.6Low70.5Confident1 Ų117.6 Ų17.61%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-156146.4-172.3-23171.6000106.3H1000 F1008 I1011 K1077 L1081H1000-I1079 WeakPolarHBondContact CE1-CD1 3.29Å; F1008-I1079 HydrophobicContact CE2-CD1 3.73Å; F1008-I1079 HydrophobicContact CE2-CG1 4.04Å; I1011-I1079 PolarHBondContact N-O 3.02Å; K1077-I1079 HydrophobicContact CD-CD1 4.07Å; K1077-I1079 HydrophobicContact CD-CG1 3.93Å; K1077-I1079 VanDerWaalsContact CE-CD1 3.45Å; K1077-I1079 HydrophobicContact CG-CD1 4.01Å; K1077-I1079 HydrophobicContact CG-CG1 4.03Å; I1079-L1081 PolarHBondContact O-N 3.12Å
1080C52.2Low70.1Confident6 Ų621.3 Ų21.34%0.04111%0.114CC..EExtended strand (participates in β ladder)trans-71.3119.4149.7-56.60000105.8T389 N775 I1011 N1082T389-C1080 HydrophobicContact CG2-CB 4.25Å; N775-C1080 PolarHBondContact ND2-O 3.02Å; N775-C1080 WeakPolarHBondContact OD1-CB 3.45Å; N775-C1080 PolarHBondContact OD1-N 2.99Å; I1011-C1080 HydrophobicContact CB-CB 4.46Å; C1080-N1082 PolarHBondContact O-N 3.28Å; C1080-N1082 PolarHBondContact O-OD1 2.96Å
1081L48.9Very low69.5Low5 Ų522.7 Ų22.73%0.02612%0.12CC..  trans-67.7126.6172.4-84.2178.9000107.9I993 F1008 P1010 I1079 L1083I993-L1081 HydrophobicContact CD1-CD1 3.67Å; F1008-L1081 HydrophobicContact CE1-CD1 4.03Å; F1008-L1081 HydrophobicContact CE2-CD2 4.46Å; F1008-L1081 HydrophobicContact CZ-CD1 3.69Å; F1008-L1081 HydrophobicContact CZ-CD2 3.75Å; F1008-L1081 HydrophobicContact CZ-CG 3.72Å; P1010-L1081 HydrophobicContact CB-CD1 3.79Å; P1010-L1081 HydrophobicContact CB-CG 4Å; I1079-L1081 PolarHBondContact O-N 3.12Å; L1081-L1083 HydrophobicContact CB-CB 4.36Å; L1081-L1083 HydrophobicContact CB-CD1 3.86Å; L1081-L1083 HydrophobicContact CB-CG 4.3Å; L1081-L1083 HydrophobicContact CD1-CD1 3.73Å; L1081-L1083 HydrophobicContact CD2-CD1 4.46Å; L1081-L1083 HydrophobicContact CG-CD1 4.24Å; L1081-L1083 PolarHBondContact O-N 3.09Å
1082N47.4Very low68.5Low14 Ų1418.9 Ų18.98%0.07510%0.104CC..  trans-80.874.9176.2-60.9-26.1000107.7D387 T389 N775 C1080D387-N1082 HydrophobicContact CB-CB 3.92Å; D387-N1082 WeakPolarHBondContact CB-ND2 3.45Å; D387-N1082 WeakPolarHBondContact CB-OD1 3.18Å; D387-N1082 VanDerWaalsContact CG-ND2 3.28Å; D387-N1082 PolarHBondContact OD2-ND2 2.61Å; D387-N1082 PolarHBondContact OD2-OD1 3.4Å; T389-N1082 WeakPolarHBondContact CG2-OD1 3.31Å; N775-N1082 PolarHBondContact ND2-ND2 3Å; N775-N1082 PolarHBondContact ND2-OD1 3.25Å; C1080-N1082 PolarHBondContact O-N 3.28Å; C1080-N1082 PolarHBondContact O-OD1 2.96Å
1083L53.4Low67.1Low5 Ų519.9 Ų19.93%0.02610%0.104CC..  trans-135101-178.6-80.2166.4000104.6D336 P990 N992 L1081 T1085 F1086D336-L1083 WeakPolarHBondContact OD1-CD2 3.41Å; P990-L1083 HydrophobicContact CB-CB 3.79Å; P990-L1083 HydrophobicContact CB-CD1 4.06Å; P990-L1083 HydrophobicContact CB-CD2 3.68Å; P990-L1083 HydrophobicContact CB-CG 4.01Å; P990-L1083 HydrophobicContact CG-CB 3.64Å; P990-L1083 HydrophobicContact CG-CD1 3.3Å; P990-L1083 HydrophobicContact CG-CD2 3.94Å; P990-L1083 HydrophobicContact CG-CG 3.76Å; N992-L1083 HydrophobicContact CB-CD2 4.14Å; N992-L1083 VanDerWaalsContact ND2-CD2 3.26Å; N992-L1083 WeakPolarHBondContact ND2-CD2 3.36Å; N992-L1083 WeakPolarHBondContact OD1-CD1 3.32Å; N992-L1083 WeakPolarHBondContact OD1-CD2 3.45Å; L1081-L1083 HydrophobicContact CB-CB 4.36Å; L1081-L1083 HydrophobicContact CB-CD1 3.86Å; L1081-L1083 HydrophobicContact CB-CG 4.3Å; L1081-L1083 HydrophobicContact CD1-CD1 3.73Å; L1081-L1083 HydrophobicContact CD2-CD1 4.46Å; L1081-L1083 HydrophobicContact CG-CD1 4.24Å; L1081-L1083 PolarHBondContact O-N 3.09Å; L1083-T1085 PolarHBondContact O-N 2.83Å; L1083-F1086 HydrophobicContact CB-CB 3.99Å; L1083-F1086 PolarHBondContact O-N 2.8Å; L1083-F1086 VanDerWaalsContact O-N 3.14Å
1084S52.9Low65.9Low32 Ų3227.8 Ų27.822%0.22413%0.126CC..THydrogen-bonded Turntrans-48.2140.8161.668.10000107.2M329 D336 F1086M329-S1084 VanDerWaalsContact O-CB 3.26Å; M329-S1084 WeakPolarHBondContact O-CB 3.47Å; D336-S1084 WeakPolarHBondContact OD2-CB 3.17Å; D336-S1084 PolarHBondContact OD2-OG 3.08Å; S1084-F1086 PolarHBondContact O-N 2.9Å
1085T63.6Low64.3Low39 Ų3927.4 Ų27.424%0.23913%0.125CC..THydrogen-bonded Turntrans74.2-9.1-174.281.10000119.5H988 L1083 T1087H988-T1085 PolarHBondContact CD2-O 2.66Å; L1083-T1085 PolarHBondContact O-N 2.83Å; T1085-T1087 WeakPolarHBondContact O-CB 3.46Å; T1085-T1087 PolarHBondContact O-N 2.86Å; T1085-T1087 PolarHBondContact O-OG1 2.77Å
1086F84.7Confident63Low1 Ų127.3 Ų27.30%0.00413%0.126CC..  trans-68.892.4178.1-171.2-125.8000112.4I987 F989 P990 P1010 V1012 M1013 L1035 L1083 S1084I987-F1086 HydrophobicContact CG2-CD2 4.19Å; I987-F1086 HydrophobicContact CG2-CE2 3.58Å; I987-F1086 HydrophobicContact CG2-CZ 4.32Å; F989-F1086 HydrophobicContact CD1-CE2 4.2Å; F989-F1086 HydrophobicContact CE1-CE2 4.25Å; P990-F1086 VanDerWaalsContact CD-CD2 3.47Å; P990-F1086 HydrophobicContact CG-CB 3.99Å; P990-F1086 HydrophobicContact CG-CD2 4.1Å; P990-F1086 HydrophobicContact CG-CG 4.34Å; P1010-F1086 HydrophobicContact CB-CE1 3.79Å; P1010-F1086 HydrophobicContact CB-CZ 4.28Å; P1010-F1086 HydrophobicContact CG-CE1 4.03Å; P1010-F1086 HydrophobicContact CG-CZ 4.05Å; V1012-F1086 HydrophobicContact CB-CD1 3.99Å; V1012-F1086 HydrophobicContact CB-CE1 3.63Å; V1012-F1086 HydrophobicContact CB-CZ 4.23Å; V1012-F1086 HydrophobicContact CG2-CD1 3.85Å; V1012-F1086 HydrophobicContact CG2-CD2 4.48Å; V1012-F1086 HydrophobicContact CG2-CE1 3.78Å; V1012-F1086 HydrophobicContact CG2-CE2 4.46Å; V1012-F1086 HydrophobicContact CG2-CG 4.22Å; V1012-F1086 HydrophobicContact CG2-CZ 4.13Å; V1012-F1086 WeakPolarHBondContact CG2-O 3.4Å; M1013-F1086 PolarHBondContact N-O 2.94Å; L1035-F1086 HydrophobicContact CD1-CE1 4.32Å; L1035-F1086 HydrophobicContact CD1-CZ 3.74Å; L1083-F1086 HydrophobicContact CB-CB 3.99Å; L1083-F1086 PolarHBondContact O-N 2.8Å; L1083-F1086 VanDerWaalsContact O-N 3.14Å; S1084-F1086 PolarHBondContact O-N 2.9Å
1087T86Confident61.7Low1 Ų128.2 Ų28.21%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-133.2134.6-163.546.50000111.2H988 M1013 L1015 T1085 L1089H988-T1087 PolarHBondContact N-O 3.42Å; M1013-T1087 HydrophobicContact CB-CG2 4.23Å; M1013-T1087 CarbonylContact O-C 3.43Å; M1013-T1087 VanDerWaalsContact O-CA 3.28Å; M1013-T1087 WeakPolarHBondContact O-CA 3.3Å; L1015-T1087 HydrophobicContact CD1-CG2 3.98Å; L1015-T1087 HydrophobicContact CD2-CG2 4.3Å; L1015-T1087 HydrophobicContact CG-CG2 4.08Å; T1085-T1087 WeakPolarHBondContact O-CB 3.46Å; T1085-T1087 PolarHBondContact O-N 2.86Å; T1085-T1087 PolarHBondContact O-OG1 2.77Å; T1087-L1089 PolarHBondContact O-N 3.25Å
1088H89.3Confident60.2Low8 Ų833.1 Ų33.14%0.03716%0.163CC..EExtended strand (participates in β ladder)trans-85.1107.5163176.2-46.3000106.1H986 I987 V1012 M1013 R1014 L1015 F1091H986-H1088 CarbonylContact O-C 3.59Å; H986-H1088 WeakPolarHBondContact O-CA 3.46Å; I987-H1088 HydrophobicContact CD1-CB 3.69Å; V1012-H1088 HydrophobicContact CG1-CB 4.02Å; V1012-H1088 HydrophobicContact CG2-CB 4.02Å; V1012-H1088 VanDerWaalsContact CG2-N 3.28Å; M1013-H1088 PolarHBondContact O-N 2.96Å; R1014-H1088 HydrophobicContact CB-CB 4.36Å; R1014-H1088 PolarHBondContact NH2-CE1 3.29Å; R1014-H1088 PolarHBondContact NH2-NE2 3.46Å; L1015-H1088 PolarHBondContact N-O 3.49Å; H1088-F1091 AromaticContact CE1-CD1 3.59Å; H1088-F1091 AromaticContact CE1-CE1 3.38Å; H1088-F1091 WeakPolarHBondContact CE1-CE1 3.45Å; H1088-F1091 AromaticContact NE2-CE1 3.68Å
1089L85.2Confident58.8Low13 Ų1334.8 Ų34.87%0.06817%0.171CC..  trans-62.9148.5-179.3-66.2164.1000110L143 W905 H986 H988 L1015 P1021 T1087 F1091L143-L1089 HydrophobicContact CD2-CD1 4.04Å; W905-L1089 HydrophobicContact CH2-CB 3.87Å; W905-L1089 HydrophobicContact CH2-CD1 4.36Å; W905-L1089 HydrophobicContact CZ3-CB 3.93Å; W905-L1089 HydrophobicContact CZ3-CD1 3.63Å; W905-L1089 HydrophobicContact CZ3-CG 4.4Å; H986-L1089 PolarHBondContact O-N 2.75Å; H988-L1089 HydrophobicContact CB-CD1 4.26Å; H988-L1089 HydrophobicContact CB-CG 4.48Å; L1015-L1089 HydrophobicContact CD1-CD2 4Å; P1021-L1089 HydrophobicContact CG-CD2 3.76Å; T1087-L1089 PolarHBondContact O-N 3.25Å; L1089-F1091 PolarHBondContact O-N 2.65Å
1090Y81.9Confident58.2Low77 Ų7737 Ų3730%0.30218%0.183SC..  trans-69.2126.7178-179.1-89.9000110.3C1017C1017-Y1090 HydrophobicContact CB-CD1 3.9Å; C1017-Y1090 HydrophobicContact CB-CD2 3.85Å; C1017-Y1090 HydrophobicContact CB-CE1 3.74Å; C1017-Y1090 HydrophobicContact CB-CE2 3.67Å; C1017-Y1090 HydrophobicContact CB-CG 3.96Å; C1017-Y1090 WeakPolarHBondContact SG-CE1 3.43Å
1091F72.2Confident57.3Low40 Ų4038.5 Ų38.518%0.17520%0.199CC..  trans-129.5150.1160.974.6-94.3000108.8W905 H986 H1088 L1089 N1096W905-F1091 HydrophobicContact CZ2-CB 4.24Å; H986-F1091 HydrophobicContact CB-CD1 3.75Å; H986-F1091 HydrophobicContact CB-CE1 4.03Å; H986-F1091 AromaticContact CD2-CD1 3.32Å; H986-F1091 WeakPolarHBondContact CD2-CD1 3.35Å; H986-F1091 AromaticContact CD2-CG 3.67Å; H986-F1091 AromaticContact CE1-CD1 3.74Å; H986-F1091 AromaticContact CE1-CE1 3.8Å; H986-F1091 AromaticContact CG-CD1 3.25Å; H986-F1091 AromaticContact CG-CE1 3.58Å; H986-F1091 AromaticContact ND1-CD1 3.53Å; H986-F1091 AromaticContact ND1-CE1 3.41Å; H986-F1091 WeakPolarHBondContact ND1-CE1 3.47Å; H986-F1091 AromaticContact NE2-CD1 3.63Å; H986-F1091 AromaticContact NE2-CG 3.64Å; H1088-F1091 AromaticContact CE1-CD1 3.59Å; H1088-F1091 AromaticContact CE1-CE1 3.38Å; H1088-F1091 WeakPolarHBondContact CE1-CE1 3.45Å; H1088-F1091 AromaticContact NE2-CE1 3.68Å; L1089-F1091 PolarHBondContact O-N 2.65Å; F1091-N1096 VanDerWaalsContact CD2-OD1 3.24Å; F1091-N1096 WeakPolarHBondContact CD2-OD1 3.38Å; F1091-N1096 WeakPolarHBondContact CE2-ND2 3.47Å
1092S63.2Low56.5Low13 Ų1345.1 Ų45.19%0.09123%0.234CC..  trans-85.8144.4-179.4174.80000111.6D130 R1094D130-S1092 WeakPolarHBondContact OD1-CB 3.24Å; D130-S1092 PolarHBondContact OD1-OG 3.12Å; D130-S1092 WeakPolarHBondContact OD2-CB 3.29Å; D130-S1092 PolarHBondContact OD2-OG 3.3Å; D130-S1092 VanDerWaalsContact OD2-OG 3.14Å; S1092-R1094 PolarHBondContact O-N 3.15Å; S1092-R1094 PolarHBondContact OG-N 3.3Å; S1092-R1094 VanDerWaalsContact OG-N 3.14Å
1093K52.7Low55.8Low104 Ų10452.4 Ų52.445%0.45227%0.268SS..THydrogen-bonded Turntrans-64.2-7.8171.9-61.3-178.6168177.20112.4I1105 I1108K1093-I1105 HydrophobicContact CB-CB 4.28Å; K1093-I1105 HydrophobicContact CB-CG2 3.83Å; K1093-I1105 HydrophobicContact CD-CG2 4.06Å; K1093-I1105 HydrophobicContact CG-CG2 3.67Å; K1093-I1108 PolarHBondContact NZ-O 2.85Å
1094R45.9Very low54.9Low193 Ų19356.7 Ų56.773%0.72829%0.287SS*.THydrogen-bonded Turntrans-90.5-55.3178.4-116-177.6-171.5165.83.1114.1S1092 N1096 A1097 T1098S1092-R1094 PolarHBondContact O-N 3.15Å; S1092-R1094 PolarHBondContact OG-N 3.3Å; S1092-R1094 VanDerWaalsContact OG-N 3.14Å; R1094-N1096 VanDerWaalsContact C-N 3.28Å; R1094-N1096 PolarHBondContact O-N 2.72Å; R1094-A1097 WeakPolarHBondContact O-CA 3.33Å; R1094-A1097 WeakPolarHBondContact O-CB 3.41Å; R1094-A1097 PolarHBondContact O-N 2.91Å; R1094-T1098 PolarHBondContact O-N 2.88Å; R1094-T1098 VanDerWaalsContact O-N 3.09Å; R1094-T1098 PolarHBondContact O-OG1 2.81Å
1095A40.8Very low53.9Low8 Ų856.3 Ų56.37%0.06628%0.282CS..Hα-helixtrans-45.4-53.1176.100000112D130 A1097 T1098 E1099D130-A1095 PolarHBondContact OD2-N 3.42Å; D130-A1095 VanDerWaalsContact OD2-N 3.14Å; A1095-A1097 VanDerWaalsContact C-N 3.29Å; A1095-A1097 PolarHBondContact O-N 2.92Å; A1095-T1098 PolarHBondContact O-N 2.85Å; A1095-T1098 VanDerWaalsContact O-N 3.14Å; A1095-T1098 PolarHBondContact O-OG1 2.79Å; A1095-E1099 WeakPolarHBondContact O-CB 3.31Å; A1095-E1099 WeakPolarHBondContact O-CG 3.47Å; A1095-E1099 PolarHBondContact O-N 2.82Å
1096N42.5Very low52.1Low8 Ų861.5 Ų61.54%0.04331%0.307CS..Hα-helixtrans-61.6-29.7176.4-67.748.9000114F1091 R1094 E1099 L1100 I1105F1091-N1096 VanDerWaalsContact CD2-OD1 3.24Å; F1091-N1096 WeakPolarHBondContact CD2-OD1 3.38Å; F1091-N1096 WeakPolarHBondContact CE2-ND2 3.47Å; R1094-N1096 VanDerWaalsContact C-N 3.28Å; R1094-N1096 PolarHBondContact O-N 2.72Å; N1096-E1099 PolarHBondContact O-N 3.05Å; N1096-L1100 HydrophobicContact CB-CD1 4.21Å; N1096-L1100 WeakPolarHBondContact O-CB 3.46Å; N1096-L1100 WeakPolarHBondContact O-CG 3.43Å; N1096-L1100 PolarHBondContact O-N 3.02Å; N1096-I1105 HydrophobicContact CB-CD1 3.35Å
1097A37.2Very low49.2Very low19 Ų1970.3 Ų70.316%0.15735%0.346CS..Hα-helixtrans-71.9-37.817600000111.5R1094 A1095 G1101 D1102R1094-A1097 WeakPolarHBondContact O-CA 3.33Å; R1094-A1097 WeakPolarHBondContact O-CB 3.41Å; R1094-A1097 PolarHBondContact O-N 2.91Å; A1095-A1097 VanDerWaalsContact C-N 3.29Å; A1095-A1097 PolarHBondContact O-N 2.92Å; A1097-G1101 CarbonylContact O-C 3.5Å; A1097-G1101 VanDerWaalsContact O-CA 3.25Å; A1097-G1101 WeakPolarHBondContact O-CA 3.48Å; A1097-G1101 PolarHBondContact O-N 3.34Å; A1097-D1102 PolarHBondContact O-N 2.77Å
1098T37.3Very low46.3Very low105 Ų10578.4 Ų78.464%0.64439%0.387SS*.Hα-helixtrans-70-31.9170.929.70000113.4R1094 A1095R1094-T1098 PolarHBondContact O-N 2.88Å; R1094-T1098 VanDerWaalsContact O-N 3.09Å; R1094-T1098 PolarHBondContact O-OG1 2.81Å; A1095-T1098 PolarHBondContact O-N 2.85Å; A1095-T1098 VanDerWaalsContact O-N 3.14Å; A1095-T1098 PolarHBondContact O-OG1 2.79Å
1099E40.9Very low44.2Very low39 Ų3981.9 Ų81.918%0.18241%0.405CS..Hα-helixtrans-86.8-26.1-177.9-70.7171.2140.500113.7N901 Q902 R904 A1095 N1096N901-E1099 HydrophobicContact CB-CB 4.18Å; N901-E1099 PolarHBondContact ND2-O 2.78Å; N901-E1099 VanDerWaalsContact ND2-O 3.12Å; Q902-E1099 PolarHBondContact NE2-OE2 3.43Å; R904-E1099 IonicContact CZ-OE1 2.75Å; R904-E1099 IonicContact NH2-OE1 3.92Å; R904-E1099 PolarHBondContact NH2-OE1 3.23Å; R904-E1099 IonicContact NH2-OE2 3.88Å; R904-E1099 PolarHBondContact NH2-OE2 2.9Å; A1095-E1099 WeakPolarHBondContact O-CB 3.31Å; A1095-E1099 WeakPolarHBondContact O-CG 3.47Å; A1095-E1099 PolarHBondContact O-N 2.82Å; N1096-E1099 PolarHBondContact O-N 3.05Å
1100L42.9Very low42Very low47 Ų4785.5 Ų85.525%0.24642%0.422CS..Hα-helixtrans-101.9-15.5177.4-59.1172000114.2K900 F960 N1096 I1105K900-L1100 HydrophobicContact CB-CD2 3.89Å; K900-L1100 HydrophobicContact CD-CD2 4.4Å; K900-L1100 HydrophobicContact CG-CD2 4.43Å; F960-L1100 HydrophobicContact CB-CD2 3.89Å; F960-L1100 HydrophobicContact CD1-CD2 4.39Å; F960-L1100 HydrophobicContact CD2-CD2 4.29Å; F960-L1100 HydrophobicContact CG-CD2 3.93Å; N1096-L1100 HydrophobicContact CB-CD1 4.21Å; N1096-L1100 WeakPolarHBondContact O-CB 3.46Å; N1096-L1100 WeakPolarHBondContact O-CG 3.43Å; N1096-L1100 PolarHBondContact O-N 3.02Å; L1100-I1105 HydrophobicContact CD1-CD1 4.42Å
1101G34.9Very low39.8Very low38 Ų3886 Ų8639%0.39243%0.429SS..  trans97.7143.2-171.600000113.3A1097 E1103A1097-G1101 CarbonylContact O-C 3.5Å; A1097-G1101 VanDerWaalsContact O-CA 3.25Å; A1097-G1101 WeakPolarHBondContact O-CA 3.48Å; A1097-G1101 PolarHBondContact O-N 3.34Å; G1101-E1103 PolarHBondContact O-N 3.27Å
1102D31.4Very low37.9Very low143 Ų14388.7 Ų88.777%0.76544%0.444SS*.THydrogen-bonded Turntrans-61.5105.1-175.8-73.7-57.9000113A1097A1097-D1102 PolarHBondContact O-N 2.77Å
1103E32Very low36.3Very low168 Ų16893.4 Ų93.479%0.78547%0.466SS*.THydrogen-bonded Turntrans-178.4-22.9134.3-105.5-175.3162.200114.5G1101G1101-E1103 PolarHBondContact O-N 3.27Å
1104F34.9Very low35.2Very low94 Ų9492.7 Ų92.741%0.41247%0.467SS..  trans-89.6-7.4-148.8-70.4-73.9000120D1056D1056-F1104 HydrophobicContact CB-CE1 4.33Å; D1056-F1104 VanDerWaalsContact O-CE1 3.28Å; D1056-F1104 WeakPolarHBondContact O-CE1 3.29Å
1105I32.1Very low34.5Very low25 Ų2585.6 Ų85.613%0.12845%0.448CS..  trans-111.946.8-169.8-39.5-176.2000113.5K1093 N1096 L1100K1093-I1105 HydrophobicContact CB-CB 4.28Å; K1093-I1105 HydrophobicContact CB-CG2 3.83Å; K1093-I1105 HydrophobicContact CD-CG2 4.06Å; K1093-I1105 HydrophobicContact CG-CG2 3.67Å; N1096-I1105 HydrophobicContact CB-CD1 3.35Å; L1100-I1105 HydrophobicContact CD1-CD1 4.42Å
1106L25.6Very low34Very low147 Ų14791.5 Ų91.577%0.7748%0.478SS*.  trans-133.760.8171.1-76.3178.1000113.3
1107K25.3Very low33.3Very low187 Ų18798.5 Ų98.581%0.81351%0.514SS*.  trans-168.388.4150.5-102.1144-168.7165.80113
1108I24.7Very low32.9Very low170 Ų170105.7 Ų105.787%0.87255%0.546SS*.  trans-159.90132.4-87.5150.9000103.2K1093K1093-I1108 PolarHBondContact NZ-O 2.85Å

Retrieved 1,108 of 1,108 residues in 1539.2 ms (Link to these results)

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