A0A087YIQ7_POEFO Loading...

Thrombospondin, type I, domain containing 1

AlphaFold DB , UniProt , Accession A0A087YIQ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 838 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
1N49.9Very low51Low182 Ų182137.8 Ų137.897%0.97368%0.682SS**  0-54.50-640.4000113.9S3 R4 F5N1-S3 PolarHBondContact O-N 3.41Å; N1-R4 PolarHBondContact O-N 2.9Å; N1-R4 VanDerWaalsContact O-N 3.09Å; N1-F5 PolarHBondContact O-N 3.29Å
2Y43.6Very low51.4Low219 Ų219136.9 Ų136.986%0.85967%0.671SS**Hα-helixtrans-47.4-47-177.5-93.7-87.7000116R4 F5 C6Y2-R4 PolarHBondContact O-N 2.9Å; Y2-F5 WeakPolarHBondContact O-CB 3.31Å; Y2-F5 PolarHBondContact O-N 3.41Å; Y2-F5 VanDerWaalsContact O-N 3.14Å; Y2-C6 PolarHBondContact O-N 3.02Å
3S46.2Very low51.9Low101 Ų101132.5 Ų132.571%0.70666%0.657SS**Hα-helixtrans-58.5-42.5178.6165.30000113.7N1 F5 C6 C7N1-S3 PolarHBondContact O-N 3.41Å; S3-F5 VanDerWaalsContact C-N 3.35Å; S3-F5 PolarHBondContact O-N 3.43Å; S3-C6 PolarHBondContact O-N 3.42Å; S3-C7 WeakPolarHBondContact O-CB 3.48Å; S3-C7 PolarHBondContact O-N 2.97Å
4R46.9Very low52.1Low213 Ų213133.3 Ų133.380%0.80466%0.655SS**Hα-helixtrans-67.1-35.5176.1-76.1-173.4176.6170.2-0.9112.1N1 Y2 C7 F8N1-R4 PolarHBondContact O-N 2.9Å; N1-R4 VanDerWaalsContact O-N 3.09Å; Y2-R4 PolarHBondContact O-N 2.9Å; R4-C7 PolarHBondContact O-N 2.99Å; R4-F8 PolarHBondContact O-N 2.96Å
5F52.1Low51.9Low150 Ų150129.5 Ų129.566%0.65865%0.646SS**Hα-helixtrans-66.4-44.3176.5-132.5-88.5000111.7N1 Y2 S3 F8 I9N1-F5 PolarHBondContact O-N 3.29Å; Y2-F5 WeakPolarHBondContact O-CB 3.31Å; Y2-F5 PolarHBondContact O-N 3.41Å; Y2-F5 VanDerWaalsContact O-N 3.14Å; S3-F5 VanDerWaalsContact C-N 3.35Å; S3-F5 PolarHBondContact O-N 3.43Å; F5-F8 PolarHBondContact O-N 3.34Å; F5-I9 HydrophobicContact CD1-CD1 3.94Å; F5-I9 HydrophobicContact CE1-CD1 4.41Å; F5-I9 WeakPolarHBondContact O-CG1 3.4Å; F5-I9 PolarHBondContact O-N 3.02Å
6C49.4Very low51.8Low75 Ų75127.8 Ų127.851%0.50764%0.637SS.*Hα-helixtrans-63-41.8175.8-169.20000111.7Y2 S3 F8 I9 L10Y2-C6 PolarHBondContact O-N 3.02Å; S3-C6 PolarHBondContact O-N 3.42Å; C6-F8 PolarHBondContact O-N 3.12Å; C6-I9 PolarHBondContact O-N 3.3Å; C6-L10 PolarHBondContact O-N 3.36Å
7C49.4Very low51.9Low81 Ų81125.1 Ų125.155%0.54763%0.632SS.*Hα-helixtrans-63.3-40175.4-165.40000112.7S3 R4 L10 L11S3-C7 WeakPolarHBondContact O-CB 3.48Å; S3-C7 PolarHBondContact O-N 2.97Å; R4-C7 PolarHBondContact O-N 2.99Å; C7-L10 PolarHBondContact O-N 3.34Å; C7-L11 PolarHBondContact O-N 3.02Å
8F52.9Low51.8Low159 Ų159125.2 Ų125.270%0.69763%0.634SS**Hα-helixtrans-68.3-38.2177.5-136.6-88000112.1R4 F5 C6 L11 F12R4-F8 PolarHBondContact O-N 2.96Å; F5-F8 PolarHBondContact O-N 3.34Å; C6-F8 PolarHBondContact O-N 3.12Å; F8-L11 PolarHBondContact O-N 3.46Å; F8-F12 WeakPolarHBondContact O-CB 3.31Å; F8-F12 PolarHBondContact O-N 2.91Å
9I56.8Low51.5Low95 Ų95123.2 Ų123.249%0.48763%0.633SS.*Hα-helixtrans-65.5-43.9173.6-70.1169.9000110.8F5 C6 L11 F12 V13F5-I9 HydrophobicContact CD1-CD1 3.94Å; F5-I9 HydrophobicContact CE1-CD1 4.41Å; F5-I9 WeakPolarHBondContact O-CG1 3.4Å; F5-I9 PolarHBondContact O-N 3.02Å; C6-I9 PolarHBondContact O-N 3.3Å; I9-L11 VanDerWaalsContact C-N 3.33Å; I9-L11 PolarHBondContact O-N 3.17Å; I9-F12 PolarHBondContact O-N 3.48Å; I9-V13 HydrophobicContact CG2-CG2 4.45Å; I9-V13 WeakPolarHBondContact O-CG2 3.49Å; I9-V13 PolarHBondContact O-N 3.46Å
10L57.3Low51.4Low121 Ų121121.1 Ų121.163%0.63463%0.626SS**Hα-helixtrans-60.1-44175-118.190.2000111.3C6 C7 F12 V13 F14C6-L10 PolarHBondContact O-N 3.36Å; C7-L10 PolarHBondContact O-N 3.34Å; L10-F12 VanDerWaalsContact C-N 3.34Å; L10-F12 PolarHBondContact O-N 3.45Å; L10-V13 PolarHBondContact O-N 3.01Å; L10-F14 VanDerWaalsContact O-CB 3.31Å; L10-F14 WeakPolarHBondContact O-CB 3.29Å; L10-F14 PolarHBondContact O-N 2.93Å
11L56.1Low51.4Low120 Ų120124.9 Ų124.963%0.62864%0.637SS**Hα-helixtrans-63.8-39.1178.1-137.380000112C7 F8 I9 F14 C15C7-L11 PolarHBondContact O-N 3.02Å; F8-L11 PolarHBondContact O-N 3.46Å; I9-L11 VanDerWaalsContact C-N 3.33Å; I9-L11 PolarHBondContact O-N 3.17Å; L11-F14 PolarHBondContact O-N 3.36Å; L11-C15 WeakPolarHBondContact O-CB 3.32Å; L11-C15 PolarHBondContact O-N 3.37Å
12F56.3Low51.7Low127 Ų127121.9 Ų121.956%0.55762%0.616SS**Hα-helixtrans-66.7-42.9177.3-165.1-94.7000111.9F8 I9 L10 M16F8-F12 WeakPolarHBondContact O-CB 3.31Å; F8-F12 PolarHBondContact O-N 2.91Å; I9-F12 PolarHBondContact O-N 3.48Å; L10-F12 VanDerWaalsContact C-N 3.34Å; L10-F12 PolarHBondContact O-N 3.45Å; F12-M16 HydrophobicContact CD1-CG 4.35Å; F12-M16 HydrophobicContact CE1-CE 3.78Å; F12-M16 HydrophobicContact CE1-CG 4.22Å; F12-M16 HydrophobicContact CZ-CE 3.76Å; F12-M16 WeakPolarHBondContact O-CB 3.35Å; F12-M16 WeakPolarHBondContact O-CG 3.38Å; F12-M16 PolarHBondContact O-N 2.87Å
13V58Low52.7Low79 Ų79112.6 Ų112.648%0.47958%0.58SS.*Hα-helixtrans-62.9-47.2173.4170.90000110.8I9 L10 C15 M16 C17I9-V13 HydrophobicContact CG2-CG2 4.45Å; I9-V13 WeakPolarHBondContact O-CG2 3.49Å; I9-V13 PolarHBondContact O-N 3.46Å; L10-V13 PolarHBondContact O-N 3.01Å; V13-C15 VanDerWaalsContact C-N 3.35Å; V13-C15 PolarHBondContact O-N 3.29Å; V13-M16 PolarHBondContact O-N 3.17Å; V13-C17 WeakPolarHBondContact O-CB 3.39Å; V13-C17 PolarHBondContact O-N 3.44Å; V13-C17 PolarHBondContact O-SG 3.05Å
14F54.8Low53.9Low144 Ų144115.1 Ų115.163%0.63257%0.574SS**Hα-helixtrans-65-37.4-179.3-148.1-101.4000112.4L10 L11 C17 L18L10-F14 VanDerWaalsContact O-CB 3.31Å; L10-F14 WeakPolarHBondContact O-CB 3.29Å; L10-F14 PolarHBondContact O-N 2.93Å; L11-F14 PolarHBondContact O-N 3.36Å; F14-C17 PolarHBondContact O-N 3Å; F14-L18 HydrophobicContact CD1-CD1 3.66Å; F14-L18 HydrophobicContact CE1-CD1 3.49Å; F14-L18 VanDerWaalsContact CE1-CD1 3.49Å; F14-L18 HydrophobicContact CZ-CD1 4.28Å; F14-L18 PolarHBondContact O-N 2.79Å
15C48.4Very low55.5Low77 Ų77105.6 Ų105.652%0.5254%0.539SS..Hα-helixtrans-68.5-41.7175.6-166.60000112.1L11 V13 L18 S19L11-C15 WeakPolarHBondContact O-CB 3.32Å; L11-C15 PolarHBondContact O-N 3.37Å; V13-C15 VanDerWaalsContact C-N 3.35Å; V13-C15 PolarHBondContact O-N 3.29Å; C15-L18 PolarHBondContact O-N 3.35Å; C15-S19 VanDerWaalsContact O-CB 3.27Å; C15-S19 WeakPolarHBondContact O-CB 3.45Å; C15-S19 PolarHBondContact O-N 3.4Å; C15-S19 VanDerWaalsContact O-N 3.15Å; C15-S19 PolarHBondContact O-OG 2.94Å
16M50.8Low56.9Low101 Ų10199.6 Ų99.650%0.49852%0.516SS..Hα-helixtrans-62-41172.1-77.7-70.2-166.400112.4F12 V13 L18F12-M16 HydrophobicContact CD1-CG 4.35Å; F12-M16 HydrophobicContact CE1-CE 3.78Å; F12-M16 HydrophobicContact CE1-CG 4.22Å; F12-M16 HydrophobicContact CZ-CE 3.76Å; F12-M16 WeakPolarHBondContact O-CB 3.35Å; F12-M16 WeakPolarHBondContact O-CG 3.38Å; F12-M16 PolarHBondContact O-N 2.87Å; V13-M16 PolarHBondContact O-N 3.17Å; M16-L18 VanDerWaalsContact C-N 3.26Å; M16-L18 PolarHBondContact O-N 3.03Å
17C52.5Low58.7Low82 Ų8296.6 Ų96.655%0.55450%0.495SS*.Hα-helixtrans-69.2-16.4179.7-730000114.8V13 F14V13-C17 WeakPolarHBondContact O-CB 3.39Å; V13-C17 PolarHBondContact O-N 3.44Å; V13-C17 PolarHBondContact O-SG 3.05Å; F14-C17 PolarHBondContact O-N 3Å
18L51.2Low60.2Low127 Ų127100.6 Ų100.667%0.66550%0.498SS*.Hα-helixtrans-116.1-11.7-175.6-70.5173.7000115.2F14 C15 M16F14-L18 HydrophobicContact CD1-CD1 3.66Å; F14-L18 HydrophobicContact CE1-CD1 3.49Å; F14-L18 VanDerWaalsContact CE1-CD1 3.49Å; F14-L18 HydrophobicContact CZ-CD1 4.28Å; F14-L18 PolarHBondContact O-N 2.79Å; C15-L18 PolarHBondContact O-N 3.35Å; M16-L18 VanDerWaalsContact C-N 3.26Å; M16-L18 PolarHBondContact O-N 3.03Å
19S44.8Very low61.8Low88 Ų8895.2 Ų95.262%0.61548%0.479SS*.Hα-helixtrans-106.2-13.8-170.5-50.90000115.4C15C15-S19 VanDerWaalsContact O-CB 3.27Å; C15-S19 WeakPolarHBondContact O-CB 3.45Å; C15-S19 PolarHBondContact O-N 3.4Å; C15-S19 VanDerWaalsContact O-N 3.15Å; C15-S19 PolarHBondContact O-OG 2.94Å
20V49.5Very low63Low81 Ų8194.5 Ų94.549%0.49148%0.483SS..SBendtrans-95.8132.7179.8-176.80000110.2F22V20-F22 HydrophobicContact CB-CD2 3.99Å; V20-F22 HydrophobicContact CB-CE2 3.76Å; V20-F22 HydrophobicContact CB-CZ 4.19Å; V20-F22 HydrophobicContact CG1-CD2 4.41Å; V20-F22 HydrophobicContact CG1-CE2 4.41Å; V20-F22 HydrophobicContact CG2-CE2 4.5Å; V20-F22 VanDerWaalsContact O-CD2 3.32Å; V20-F22 WeakPolarHBondContact O-CD2 3.46Å; V20-F22 PolarHBondContact O-N 3.48Å
21K53Low64.5Low201 Ų20193.2 Ų93.287%0.87447%0.472SS*.  trans-68.884.5166.8-68.1-179.9-178.4176.50108.6F23K21-F23 VanDerWaalsContact C-N 3.31Å; K21-F23 PolarHBondContact O-N 3.32Å
22F56.3Low66Low118 Ų11888 Ų8852%0.51844%0.444SS..  trans-66.987.3-178.5-84.1-78.1000111.6V20V20-F22 HydrophobicContact CB-CD2 3.99Å; V20-F22 HydrophobicContact CB-CE2 3.76Å; V20-F22 HydrophobicContact CB-CZ 4.19Å; V20-F22 HydrophobicContact CG1-CD2 4.41Å; V20-F22 HydrophobicContact CG1-CE2 4.41Å; V20-F22 HydrophobicContact CG2-CE2 4.5Å; V20-F22 VanDerWaalsContact O-CD2 3.32Å; V20-F22 WeakPolarHBondContact O-CD2 3.46Å; V20-F22 PolarHBondContact O-N 3.48Å
23F62.7Low67.5Low25 Ų2583.8 Ų83.811%0.1143%0.429CS..EExtended strand (participates in β ladder)trans-85136.4143.8179.5-81.8000108.3K21 L25 S45 A46 M56 A100 W114K21-F23 VanDerWaalsContact C-N 3.31Å; K21-F23 PolarHBondContact O-N 3.32Å; F23-L25 HydrophobicContact CE1-CD1 3.5Å; F23-L25 HydrophobicContact CZ-CD1 3.39Å; F23-S45 VanDerWaalsContact CA-O 3.3Å; F23-S45 WeakPolarHBondContact CA-O 3.41Å; F23-S45 VanDerWaalsContact CD2-O 3.3Å; F23-S45 WeakPolarHBondContact CD2-O 3.29Å; F23-A46 HydrophobicContact CD2-CB 3.76Å; F23-A46 HydrophobicContact CE2-CB 3.85Å; F23-M56 HydrophobicContact CE2-CE 3.41Å; F23-M56 VanDerWaalsContact CE2-CE 3.41Å; F23-M56 HydrophobicContact CE2-SD 3.87Å; F23-M56 HydrophobicContact CZ-CE 3.41Å; F23-M56 VanDerWaalsContact CZ-CE 3.41Å; F23-M56 HydrophobicContact CZ-SD 4.45Å; F23-A100 HydrophobicContact CE1-CB 3.79Å; F23-A100 HydrophobicContact CZ-CB 3.52Å; F23-W114 HydrophobicContact CB-CD2 3.99Å; F23-W114 HydrophobicContact CB-CE3 4.44Å; F23-W114 HydrophobicContact CB-CG 4.5Å; F23-W114 HydrophobicContact CB-CH2 4.04Å; F23-W114 HydrophobicContact CB-CZ2 3.56Å; F23-W114 HydrophobicContact CB-CZ3 4.46Å; F23-W114 HydrophobicContact CD1-CB 3.67Å; F23-W114 AromaticContact CD1-CD1 3.83Å; F23-W114 AromaticContact CD1-CD2 3.19Å; F23-W114 HydrophobicContact CD1-CD2 3.19Å; F23-W114 AromaticContact CD1-CE2 3.69Å; F23-W114 AromaticContact CD1-CE3 3.48Å; F23-W114 HydrophobicContact CD1-CE3 3.48Å; F23-W114 VanDerWaalsContact CD1-CE3 3.48Å; F23-W114 AromaticContact CD1-CG 3.29Å; F23-W114 HydrophobicContact CD1-CG 3.29Å; F23-W114 HydrophobicContact CD1-CZ2 4.34Å; F23-W114 HydrophobicContact CD1-CZ3 4.15Å; F23-W114 HydrophobicContact CD2-CD2 4.26Å; F23-W114 AromaticContact CD2-CE3 3.91Å; F23-W114 HydrophobicContact CD2-CE3 3.91Å; F23-W114 AromaticContact CD2-CH2 3.94Å; F23-W114 HydrophobicContact CD2-CH2 3.94Å; F23-W114 HydrophobicContact CD2-CZ2 4.32Å; F23-W114 AromaticContact CD2-CZ3 3.73Å; F23-W114 HydrophobicContact CD2-CZ3 3.73Å; F23-W114 HydrophobicContact CE1-CB 3.65Å; F23-W114 AromaticContact CE1-CD2 3.71Å; F23-W114 HydrophobicContact CE1-CD2 3.71Å; F23-W114 AromaticContact CE1-CE3 3.62Å; F23-W114 HydrophobicContact CE1-CE3 3.62Å; F23-W114 AromaticContact CE1-CG 3.76Å; F23-W114 HydrophobicContact CE1-CG 3.76Å; F23-W114 HydrophobicContact CE1-CZ3 4.4Å; F23-W114 HydrophobicContact CE2-CE3 4.03Å; F23-W114 HydrophobicContact CE2-CZ3 4.01Å; F23-W114 AromaticContact CG-CD2 3.53Å; F23-W114 HydrophobicContact CG-CD2 3.53Å; F23-W114 AromaticContact CG-CE2 3.62Å; F23-W114 AromaticContact CG-CE3 3.65Å; F23-W114 HydrophobicContact CG-CE3 3.65Å; F23-W114 HydrophobicContact CG-CG 4.08Å; F23-W114 AromaticContact CG-CH2 3.9Å; F23-W114 HydrophobicContact CG-CH2 3.9Å; F23-W114 AromaticContact CG-CZ2 3.81Å; F23-W114 HydrophobicContact CG-CZ2 3.81Å; F23-W114 AromaticContact CG-CZ3 3.83Å; F23-W114 HydrophobicContact CG-CZ3 3.83Å; F23-W114 HydrophobicContact CZ-CD2 4.43Å; F23-W114 AromaticContact CZ-CE3 3.9Å; F23-W114 HydrophobicContact CZ-CE3 3.9Å; F23-W114 HydrophobicContact CZ-CZ3 4.34Å
24W72.4Confident68.8Low153 Ų15380 Ų8058%0.5841%0.406SS*.EExtended strand (participates in β ladder)trans-145.3145.3180-17976.7000111.6S26 F44 S45W24-S26 WeakPolarHBondContact CH2-OG 3.43Å; W24-S26 VanDerWaalsContact CZ3-OG 3.24Å; W24-S26 WeakPolarHBondContact CZ3-OG 3.36Å; W24-F44 WeakPolarHBondContact O-CA 3.39Å; W24-S45 PolarHBondContact N-O 3.34Å; W24-S45 VanDerWaalsContact N-O 3.15Å; W24-S45 PolarHBondContact O-N 3.36Å
25L81Confident70.2Confident13 Ų1373.3 Ų73.37%0.06838%0.377CS..EExtended strand (participates in β ladder)trans-124.1130.7173-123.181.4000109.2F23 V42 D43 F44 L58 F98 A100F23-L25 HydrophobicContact CE1-CD1 3.5Å; F23-L25 HydrophobicContact CZ-CD1 3.39Å; L25-V42 HydrophobicContact CD2-CG1 3.55Å; L25-V42 HydrophobicContact CG-CG1 3.72Å; L25-D43 WeakPolarHBondContact CA-O 3.12Å; L25-F44 HydrophobicContact CD1-CB 3.62Å; L25-F44 HydrophobicContact CG-CB 4.45Å; L25-L58 HydrophobicContact CD2-CD1 3.87Å; L25-F98 HydrophobicContact CD2-CB 3.86Å; L25-A100 HydrophobicContact CD1-CB 3.93Å
26S82Confident72Confident25 Ų2570.5 Ų70.518%0.17536%0.358CS..EExtended strand (participates in β ladder)trans-119.4140.8159.554.40000111.4W24 V42 D43W24-S26 WeakPolarHBondContact CH2-OG 3.43Å; W24-S26 VanDerWaalsContact CZ3-OG 3.24Å; W24-S26 WeakPolarHBondContact CZ3-OG 3.36Å; S26-V42 WeakPolarHBondContact O-CA 3.17Å; S26-D43 PolarHBondContact N-O 3.01Å; S26-D43 PolarHBondContact O-N 3.16Å
27I87.3Confident73.7Confident12 Ų1269.6 Ų69.66%0.06236%0.355CS..EExtended strand (participates in β ladder)trans-96.3136.8168-44.7173.4000108.1P29 V40 F41 F98 S117 L119I27-P29 WeakPolarHBondContact CG2-O 3.32Å; I27-V40 HydrophobicContact CG2-CG1 3.33Å; I27-F41 WeakPolarHBondContact CA-O 3.08Å; I27-F98 HydrophobicContact CD1-CD2 3.62Å; I27-F98 HydrophobicContact CD1-CE2 3.87Å; I27-F98 HydrophobicContact CG1-CD2 3.81Å; I27-F98 HydrophobicContact CG1-CE2 4.07Å; I27-F98 HydrophobicContact CG2-CE2 3.98Å; I27-S117 WeakPolarHBondContact CD1-O 3.49Å; I27-L119 HydrophobicContact CD1-CB 3.89Å; I27-L119 HydrophobicContact CG2-CD1 4.38Å
28W80.6Confident75.2Confident165 Ų16567.1 Ų67.163%0.62534%0.344SS*.EExtended strand (participates in β ladder)trans-138.5124.3167.4-170.783.9000110.6F41W28-F41 HydrophobicContact CE3-CD2 4.03Å; W28-F41 HydrophobicContact CZ3-CD2 4.33Å; W28-F41 PolarHBondContact N-O 3.05Å; W28-F41 WeakPolarHBondContact O-CB 3.05Å; W28-F41 PolarHBondContact O-N 3.28Å
29P85.7Confident77Confident45 Ų4562.3 Ų62.329%0.29232%0.321SS..SBendcis-74.3160.6-4.833.1-37.2000113.3I27 F31I27-P29 WeakPolarHBondContact CG2-O 3.32Å; P29-F31 WeakPolarHBondContact CB-O 3.42Å; P29-F31 WeakPolarHBondContact CG-O 3.34Å; P29-F31 PolarHBondContact O-N 3.05Å
30S82.7Confident79.2Confident80 Ų8058.1 Ų58.156%0.55929%0.291SS*.SBendtrans-76.9-7.4172.753.30000114.4Q120S30-Q120 PolarHBondContact O-N 3.41Å
31F87.6Confident81Confident95 Ų9556.3 Ų56.342%0.41728%0.277SS..EExtended strand (participates in β ladder)trans-132.5136.4178.8171.4-96.6000109.5P29 V33 Q120 Q122P29-F31 WeakPolarHBondContact CB-O 3.42Å; P29-F31 WeakPolarHBondContact CG-O 3.34Å; P29-F31 PolarHBondContact O-N 3.05Å; F31-V33 HydrophobicContact CE1-CG2 3.7Å; F31-V33 HydrophobicContact CZ-CG2 3.98Å; F31-Q120 WeakPolarHBondContact CA-O 3.36Å; F31-Q122 HydrophobicContact CE2-CB 3.91Å; F31-Q122 HydrophobicContact CE2-CG 3.78Å; F31-Q122 HydrophobicContact CZ-CB 4.18Å
32H88.3Confident82.7Confident9 Ų946.7 Ų46.74%0.04224%0.235CC..EExtended strand (participates in β ladder)trans-139.4160.1179.2-177.774.4000111.4S36 G38 V40 F90 L119 Q120 V121 Q122H32-S36 PolarHBondContact CE1-OG 2.97Å; H32-G38 PolarHBondContact CE1-O 3.04Å; H32-G38 VanDerWaalsContact CE1-O 3.24Å; H32-V40 HydrophobicContact CB-CG2 3.97Å; H32-F90 AromaticContact CD2-CD2 3.76Å; H32-F90 AromaticContact CD2-CG 3.55Å; H32-F90 WeakPolarHBondContact NE2-CB 3.41Å; H32-F90 AromaticContact NE2-CD2 3.59Å; H32-F90 AromaticContact NE2-CG 3.69Å; H32-L119 HydrophobicContact CB-CD1 4.08Å; H32-Q120 PolarHBondContact N-O 2.92Å; H32-V121 HydrophobicContact CB-CG2 4.33Å; H32-V121 WeakPolarHBondContact O-CA 3.34Å; H32-Q122 PolarHBondContact O-N 2.8Å
33V87.9Confident84.1Confident39 Ų3942.9 Ų42.924%0.23622%0.22CC..EExtended strand (participates in β ladder)trans-115.2119.7-177.8-179.20000109.3F31 S36 Q122 P124 F150F31-V33 HydrophobicContact CE1-CG2 3.7Å; F31-V33 HydrophobicContact CZ-CG2 3.98Å; V33-S36 WeakPolarHBondContact O-CB 3.45Å; V33-S36 PolarHBondContact O-N 3.28Å; V33-S36 VanDerWaalsContact O-N 3.13Å; V33-S36 PolarHBondContact O-OG 3.39Å; V33-Q122 WeakPolarHBondContact CA-O 3.26Å; V33-P124 HydrophobicContact CG1-CB 3.69Å; V33-P124 HydrophobicContact CG1-CG 4.28Å; V33-F150 HydrophobicContact CG1-CD2 4.49Å; V33-F150 HydrophobicContact CG1-CE2 4.28Å
34A85.8Confident85.1Confident0 Ų042 Ų420%022%0.216CC..THydrogen-bonded Turntrans-54.4143.6-179.800000111.5S36 F90 V121 Q122 W123 P124A34-S36 PolarHBondContact O-N 2.84Å; A34-F90 WeakPolarHBondContact CA-O 3.45Å; A34-V121 HydrophobicContact CB-CG1 3.89Å; A34-Q122 PolarHBondContact N-O 3.21Å; A34-W123 HydrophobicContact CB-CD2 4.5Å; A34-W123 HydrophobicContact CB-CE3 3.78Å; A34-W123 HydrophobicContact CB-CZ3 4.04Å; A34-P124 WeakPolarHBondContact O-CD 3.4Å
35L84.3Confident85.3Confident3 Ų336.6 Ų36.62%0.01620%0.202CC..THydrogen-bonded Turntrans62.8-0.4-176.9-51.8169.9000115.6F90 L91 W123 F150 A152 C153 A160 L161 P191L35-F90 PolarHBondContact N-O 3.18Å; L35-L91 HydrophobicContact CD2-CB 4.4Å; L35-L91 HydrophobicContact CD2-CD2 4.1Å; L35-L91 WeakPolarHBondContact CD2-O 3.07Å; L35-W123 HydrophobicContact CD1-CZ3 4.17Å; L35-W123 HydrophobicContact CG-CZ3 4.45Å; L35-F150 HydrophobicContact CB-CZ 4.23Å; L35-A152 CarbonylContact O-C 3.57Å; L35-A152 WeakPolarHBondContact O-CA 3.25Å; L35-C153 PolarHBondContact O-N 2.74Å; L35-A160 HydrophobicContact CD1-CB 4.39Å; L35-A160 HydrophobicContact CD2-CB 3.54Å; L35-L161 HydrophobicContact CD1-CD1 3.7Å; L35-L161 HydrophobicContact CD1-CD2 4.39Å; L35-L161 HydrophobicContact CD1-CG 3.88Å; L35-P191 HydrophobicContact CD1-CB 4.37Å; L35-P191 HydrophobicContact CD1-CG 4.4Å
36S85.9Confident84.7Confident19 Ų1936.5 Ų36.513%0.13320%0.203CC..BIsolated β-bridgetrans-74.1153.9177.375.30000111.9H32 V33 A34 G38 C87 Q151H32-S36 PolarHBondContact CE1-OG 2.97Å; V33-S36 WeakPolarHBondContact O-CB 3.45Å; V33-S36 PolarHBondContact O-N 3.28Å; V33-S36 VanDerWaalsContact O-N 3.13Å; V33-S36 PolarHBondContact O-OG 3.39Å; A34-S36 PolarHBondContact O-N 2.84Å; S36-G38 PolarHBondContact O-N 2.99Å; S36-G38 VanDerWaalsContact O-N 3.13Å; S36-C87 WeakPolarHBondContact O-CB 3.4Å; S36-Q151 CarbonylContact C-O 3.55Å; S36-Q151 VanDerWaalsContact CA-O 3.28Å; S36-Q151 WeakPolarHBondContact CA-O 3.45Å
37N86.9Confident83.9Confident81 Ų8143.7 Ų43.743%0.43323%0.231SC..SBendtrans-75.912.5176.8-162.657.6000113.9Q151N37-Q151 HydrophobicContact CB-CB 4.18Å; N37-Q151 PolarHBondContact N-O 3.47Å
38G84.4Confident82.5Confident30 Ų3044.2 Ų44.231%0.30924%0.236SC..  trans-76.2147.9173.700000111.4H32 S36 C87H32-G38 PolarHBondContact CE1-O 3.04Å; H32-G38 VanDerWaalsContact CE1-O 3.24Å; S36-G38 PolarHBondContact O-N 2.99Å; S36-G38 VanDerWaalsContact O-N 3.13Å; G38-C87 WeakPolarHBondContact O-CB 3.36Å
39S88.2Confident81.3Confident26 Ų2643.5 Ų43.518%0.18224%0.244CC..  trans-99.4163165490000110.9F41 E84 F85S39-F41 WeakPolarHBondContact OG-CZ 3.42Å; S39-E84 WeakPolarHBondContact CB-OE1 3.35Å; S39-E84 PolarHBondContact OG-OE1 2.86Å; S39-F85 WeakPolarHBondContact CA-O 3.32Å; S39-F85 WeakPolarHBondContact CB-O 3.43Å
40V89.9Confident79.9Confident0 Ų047.2 Ų47.20%026%0.262CS..EExtended strand (participates in β ladder)trans-117.1127.6172.8177.80000108.7I27 H32 F85 F90 F98 L119I27-V40 HydrophobicContact CG2-CG1 3.33Å; H32-V40 HydrophobicContact CB-CG2 3.97Å; V40-F85 PolarHBondContact N-O 3.38Å; V40-F85 PolarHBondContact O-N 2.97Å; V40-F90 HydrophobicContact CB-CE2 3.78Å; V40-F90 HydrophobicContact CB-CZ 3.84Å; V40-F90 HydrophobicContact CG2-CD2 4.22Å; V40-F90 HydrophobicContact CG2-CE2 3.52Å; V40-F90 HydrophobicContact CG2-CZ 3.72Å; V40-F98 HydrophobicContact CG1-CE2 4.29Å; V40-F98 HydrophobicContact CG1-CZ 4.27Å; V40-L119 HydrophobicContact CG1-CD1 4.47Å; V40-L119 HydrophobicContact CG1-CD2 4.19Å; V40-L119 HydrophobicContact CG2-CD2 4.29Å
41F88.9Confident78.5Confident43 Ų4351.5 Ų51.519%0.18928%0.279CS..EExtended strand (participates in β ladder)trans-96.6136.9-179.8-58.6-81.5000110.5I27 W28 S39 R82 E83 E84I27-F41 WeakPolarHBondContact CA-O 3.08Å; W28-F41 HydrophobicContact CE3-CD2 4.03Å; W28-F41 HydrophobicContact CZ3-CD2 4.33Å; W28-F41 PolarHBondContact N-O 3.05Å; W28-F41 WeakPolarHBondContact O-CB 3.05Å; W28-F41 PolarHBondContact O-N 3.28Å; S39-F41 WeakPolarHBondContact OG-CZ 3.42Å; F41-R82 HydrophobicContact CB-CG 4.12Å; F41-R82 HydrophobicContact CD1-CG 3.9Å; F41-R82 HydrophobicContact CG-CG 4.43Å; F41-E83 CarbonylContact C-O 3.52Å; F41-E83 WeakPolarHBondContact CA-O 3.49Å; F41-E84 HydrophobicContact CD1-CB 3.94Å; F41-E84 HydrophobicContact CD1-CG 4.02Å; F41-E84 HydrophobicContact CE1-CB 3.78Å; F41-E84 VanDerWaalsContact CE1-CD 3.42Å; F41-E84 HydrophobicContact CE1-CG 3.52Å; F41-E84 HydrophobicContact CZ-CG 4.11Å
42V88.5Confident77Confident0 Ų049.1 Ų49.10%027%0.272CS..EExtended strand (participates in β ladder)trans-119107173.4-175.80000108.4L25 S26 L58 R82 E83 F85 F98L25-V42 HydrophobicContact CD2-CG1 3.55Å; L25-V42 HydrophobicContact CG-CG1 3.72Å; S26-V42 WeakPolarHBondContact O-CA 3.17Å; V42-L58 HydrophobicContact CB-CD2 4.08Å; V42-L58 HydrophobicContact CG1-CD1 4.25Å; V42-L58 HydrophobicContact CG1-CD2 3.94Å; V42-R82 WeakPolarHBondContact O-CA 3.08Å; V42-E83 PolarHBondContact N-O 3.07Å; V42-E83 PolarHBondContact O-N 2.98Å; V42-F85 HydrophobicContact CG2-CD2 4.07Å; V42-F85 HydrophobicContact CG2-CE2 4.02Å; V42-F98 HydrophobicContact CG2-CD1 3.82Å; V42-F98 HydrophobicContact CG2-CD2 3.72Å; V42-F98 HydrophobicContact CG2-CE1 3.65Å; V42-F98 HydrophobicContact CG2-CE2 3.55Å; V42-F98 HydrophobicContact CG2-CG 3.85Å; V42-F98 HydrophobicContact CG2-CZ 3.5Å; V42-F98 VanDerWaalsContact CG2-CZ 3.5Å
43D85.6Confident75.4Confident38 Ų3854.4 Ų54.420%0.20330%0.299CS..EExtended strand (participates in β ladder)trans-85.1125.6172.3-69.5-33.1000108.9L25 S26 G81 R82L25-D43 WeakPolarHBondContact CA-O 3.12Å; S26-D43 PolarHBondContact N-O 3.01Å; S26-D43 PolarHBondContact O-N 3.16Å; D43-G81 WeakPolarHBondContact CA-O 3.44Å; D43-R82 VanDerWaalsContact OD1-CB 3.24Å; D43-R82 WeakPolarHBondContact OD1-CB 3.08Å; D43-R82 WeakPolarHBondContact OD1-CG 3.17Å; D43-R82 IonicContact OD1-CZ 2.77Å; D43-R82 IonicContact OD1-NE 2.7Å; D43-R82 PolarHBondContact OD1-NE 2.87Å; D43-R82 IonicContact OD1-NH2 3.2Å; D43-R82 PolarHBondContact OD1-NH2 3.18Å; D43-R82 IonicContact OD2-CZ 2.81Å; D43-R82 IonicContact OD2-NE 3.04Å; D43-R82 IonicContact OD2-NH2 3.3Å; D43-R82 PolarHBondContact OD2-NH2 3.3Å
44F83.6Confident74.2Confident5 Ų553.3 Ų53.32%0.02229%0.293CS..EExtended strand (participates in β ladder)trans-125.5144.5179.768.6-88.6000111.3W24 L25 M56 L74 V80 G81 E83W24-F44 WeakPolarHBondContact O-CA 3.39Å; L25-F44 HydrophobicContact CD1-CB 3.62Å; L25-F44 HydrophobicContact CG-CB 4.45Å; F44-M56 HydrophobicContact CB-CE 4.26Å; F44-M56 HydrophobicContact CD2-CE 3.98Å; F44-M56 HydrophobicContact CD2-SD 4.27Å; F44-M56 HydrophobicContact CG-CE 4.23Å; F44-L74 HydrophobicContact CD1-CD1 4.23Å; F44-L74 HydrophobicContact CD1-CD2 4.48Å; F44-L74 HydrophobicContact CD2-CD1 4.15Å; F44-L74 HydrophobicContact CE1-CD1 3.97Å; F44-L74 HydrophobicContact CE1-CD2 3.67Å; F44-L74 HydrophobicContact CE1-CG 4.45Å; F44-L74 HydrophobicContact CE2-CD1 3.89Å; F44-L74 HydrophobicContact CG-CD1 4.31Å; F44-L74 HydrophobicContact CZ-CD1 3.81Å; F44-L74 HydrophobicContact CZ-CD2 3.78Å; F44-L74 HydrophobicContact CZ-CG 4.27Å; F44-V80 WeakPolarHBondContact O-CA 3.44Å; F44-G81 VanDerWaalsContact CD1-O 3.26Å; F44-G81 WeakPolarHBondContact CD1-O 3.39Å; F44-G81 VanDerWaalsContact CE1-C 3.46Å; F44-G81 PolarHBondContact N-O 3.47Å; F44-G81 PolarHBondContact O-N 3.48Å; F44-E83 HydrophobicContact CE1-CG 4.33Å
45S76.5Confident73.6Confident40 Ų4056.6 Ų56.628%0.2831%0.31SS..EExtended strand (participates in β ladder)trans-134122174.7-179.20000109.7F23 W24F23-S45 VanDerWaalsContact CA-O 3.3Å; F23-S45 WeakPolarHBondContact CA-O 3.41Å; F23-S45 VanDerWaalsContact CD2-O 3.3Å; F23-S45 WeakPolarHBondContact CD2-O 3.29Å; W24-S45 PolarHBondContact N-O 3.34Å; W24-S45 VanDerWaalsContact N-O 3.15Å; W24-S45 PolarHBondContact O-N 3.36Å
46A68.9Low73.3Confident11 Ų1157 Ų579%0.09131%0.312CS..EExtended strand (participates in β ladder)trans-128.681.4-173.200000110.7F23 S48 M56 L79F23-A46 HydrophobicContact CD2-CB 3.76Å; F23-A46 HydrophobicContact CE2-CB 3.85Å; A46-S48 PolarHBondContact O-N 2.88Å; A46-M56 HydrophobicContact CB-SD 4.29Å; A46-L79 PolarHBondContact N-O 3.41Å; A46-L79 WeakPolarHBondContact O-CD2 3.48Å
47K63.8Low73.2Confident176 Ų17657.6 Ų57.677%0.76532%0.316SS*.  trans-7386.8179.9-163.5173.3-174.8178.20111.8
48S59.4Low73.2Confident24 Ų2453.8 Ų53.817%0.16830%0.296CS..  trans-79.6145.2168.4-153.10000110.8A46 R102A46-S48 PolarHBondContact O-N 2.88Å; S48-R102 PolarHBondContact OG-NH1 2.04Å; S48-R102 PolarHBondContact OG-NH2 3.49Å; S48-R102 VanDerWaalsContact OG-NH2 3.16Å
49N54.2Low73.4Confident149 Ų14953 Ų5380%0.79729%0.286SS*.  trans-117.417.3-175.7-146.481.8000112.7
50N57.5Low73.6Confident123 Ų12351.8 Ų51.866%0.65828%0.277SS*.SBendtrans-152.8147.9-176.8-129.8-1.7000110.1T52N50-T52 PolarHBondContact O-N 3.27Å
51N51.9Low73.5Confident171 Ų17152.1 Ų52.191%0.91428%0.279SS*.  trans-79.728.2-175.5-66.22.1000113.8
52T57.2Low73.5Confident44 Ų4450.2 Ų50.227%0.2727%0.271SS..  trans-75.1140.7174.846.30000109.8N50 T54 S106N50-T52 PolarHBondContact O-N 3.27Å; T52-T54 PolarHBondContact O-N 2.94Å; T52-S106 WeakPolarHBondContact CG2-OG 3.18Å
53I54.7Low73.4Confident120 Ų12053.8 Ų53.862%0.61529%0.289SS*.  trans-69104177.3-60.1174.3000108.1
54T63.4Low73.4Confident16 Ų1659.2 Ų59.210%0.09831%0.313CS..EExtended strand (participates in β ladder)trans-88.2117.5175.560.20000109T52 S76 R102T52-T54 PolarHBondContact O-N 2.94Å; T54-S76 VanDerWaalsContact O-CB 3.3Å; T54-S76 WeakPolarHBondContact O-CB 3.33Å; T54-S76 PolarHBondContact O-OG 2.69Å; T54-R102 VanDerWaalsContact CG2-CZ 3.45Å
55N72.3Confident73.3Confident69 Ų6962.7 Ų62.737%0.36933%0.334SS..EExtended strand (participates in β ladder)trans-90.7117167.7-78.2-14.8000107.8S76 T103N55-S76 PolarHBondContact OD1-OG 2.75Å; N55-T103 PolarHBondContact N-O 2.94Å; N55-T103 VanDerWaalsContact N-O 3.11Å; N55-T103 PolarHBondContact O-N 3.48Å; N55-T103 PolarHBondContact O-OG1 3.19Å
56M77.1Confident73.8Confident12 Ų1266.7 Ų66.76%0.05935%0.353CS..EExtended strand (participates in β ladder)trans-115.7124.4179.9-172.5-175.815500108.6F23 F44 A46 L74 A100 N101F23-M56 HydrophobicContact CE2-CE 3.41Å; F23-M56 VanDerWaalsContact CE2-CE 3.41Å; F23-M56 HydrophobicContact CE2-SD 3.87Å; F23-M56 HydrophobicContact CZ-CE 3.41Å; F23-M56 VanDerWaalsContact CZ-CE 3.41Å; F23-M56 HydrophobicContact CZ-SD 4.45Å; F44-M56 HydrophobicContact CB-CE 4.26Å; F44-M56 HydrophobicContact CD2-CE 3.98Å; F44-M56 HydrophobicContact CD2-SD 4.27Å; F44-M56 HydrophobicContact CG-CE 4.23Å; A46-M56 HydrophobicContact CB-SD 4.29Å; M56-L74 HydrophobicContact CB-CB 4.39Å; M56-L74 HydrophobicContact CB-CD1 4.31Å; M56-L74 HydrophobicContact CE-CD1 3.43Å; M56-L74 VanDerWaalsContact CE-CD1 3.43Å; M56-L74 HydrophobicContact CG-CD1 3.88Å; M56-L74 PolarHBondContact O-N 2.93Å; M56-L74 HydrophobicContact SD-CD1 3.64Å; M56-A100 HydrophobicContact CE-CB 3.91Å; M56-N101 WeakPolarHBondContact CA-O 3.4Å
57S84.5Confident74.5Confident32 Ų3269.7 Ų69.722%0.22437%0.37CS..EExtended strand (participates in β ladder)trans-108.8145.6171.353.20000110.8R72 A100 N101S57-R72 CarbonylContact C-O 3.58Å; S57-R72 VanDerWaalsContact CA-O 3.31Å; S57-R72 WeakPolarHBondContact CA-O 3.47Å; S57-A100 WeakPolarHBondContact O-CA 2.99Å; S57-N101 PolarHBondContact N-O 3.22Å; S57-N101 PolarHBondContact O-N 2.81Å
58L87.6Confident75.5Confident0 Ų065.2 Ų65.20%036%0.361CS..EExtended strand (participates in β ladder)trans-124.3107.5179.217963.7000107.8L25 V42 R72 L74 E83 F85 F98 A100L25-L58 HydrophobicContact CD2-CD1 3.87Å; V42-L58 HydrophobicContact CB-CD2 4.08Å; V42-L58 HydrophobicContact CG1-CD1 4.25Å; V42-L58 HydrophobicContact CG1-CD2 3.94Å; L58-R72 PolarHBondContact N-O 2.78Å; L58-R72 PolarHBondContact O-N 2.88Å; L58-L74 HydrophobicContact CB-CD1 4.26Å; L58-E83 HydrophobicContact CD2-CB 4Å; L58-E83 HydrophobicContact CD2-CG 4.04Å; L58-F85 HydrophobicContact CD2-CE2 3.78Å; L58-F85 HydrophobicContact CD2-CZ 4.03Å; L58-F85 HydrophobicContact CG-CE2 4.33Å; L58-F85 HydrophobicContact CG-CZ 4.11Å; L58-F98 HydrophobicContact CD1-CB 3.91Å; L58-F98 HydrophobicContact CD1-CD1 4.43Å; L58-A100 HydrophobicContact CD1-CB 4.48Å
59S88.8Confident76.6Confident14 Ų1466.8 Ų66.810%0.09837%0.369CS..EExtended strand (participates in β ladder)trans-112.6134.9-179620000112.5L70 F98 L99S59-L70 CarbonylContact C-O 3.59Å; S59-L70 VanDerWaalsContact CA-O 3.24Å; S59-L70 WeakPolarHBondContact CA-O 3.39Å; S59-F98 CarbonylContact O-C 3.54Å; S59-F98 VanDerWaalsContact O-CA 3.3Å; S59-F98 WeakPolarHBondContact O-CA 3.4Å; S59-L99 PolarHBondContact N-O 3.35Å; S59-L99 PolarHBondContact O-N 3.27Å
60L90.6Very high78.1Confident0 Ų062.6 Ų62.60%035%0.347CS..EExtended strand (participates in β ladder)trans-82.9117171.2173.362.3000108.1S68 V69 L70 F85 C89 F90 F96 F98L60-S68 CarbonylContact O-C 3.51Å; L60-S68 WeakPolarHBondContact O-CA 3.49Å; L60-V69 HydrophobicContact CD2-CB 4.22Å; L60-V69 HydrophobicContact CD2-CG1 4.42Å; L60-V69 HydrophobicContact CG-CB 4.29Å; L60-V69 PolarHBondContact O-N 3.49Å; L60-L70 PolarHBondContact N-O 2.75Å; L60-F85 HydrophobicContact CB-CE1 4.23Å; L60-C89 HydrophobicContact CD2-CB 3.84Å; L60-F90 HydrophobicContact CD1-CE1 4.17Å; L60-F90 HydrophobicContact CD2-CD1 4.37Å; L60-F90 HydrophobicContact CD2-CE1 3.66Å; L60-F90 HydrophobicContact CD2-CZ 4.03Å; L60-F96 HydrophobicContact CD1-CB 3.8Å; L60-F96 HydrophobicContact CD1-CD1 3.94Å; L60-F96 HydrophobicContact CD1-CG 4.2Å; L60-F96 HydrophobicContact CG-CD1 4.22Å; L60-F98 HydrophobicContact CB-CD1 4.09Å; L60-F98 HydrophobicContact CB-CE1 3.9Å; L60-F98 HydrophobicContact CD1-CD1 4.17Å; L60-F98 HydrophobicContact CD1-CE1 3.77Å; L60-F98 HydrophobicContact CD1-CE2 4.26Å; L60-F98 HydrophobicContact CD1-CZ 3.83Å; L60-F98 HydrophobicContact CG-CE1 4.32Å
61V89.6Confident79.4Confident7 Ų760 Ų604%0.04234%0.338CS..EExtended strand (participates in β ladder)trans-114.6130.7-177.9-175.60000109.9T67 F96 R97 L99 W115V61-T67 WeakPolarHBondContact CA-O 3.08Å; V61-F96 WeakPolarHBondContact O-CA 3.46Å; V61-R97 PolarHBondContact N-O 3.49Å; V61-R97 PolarHBondContact O-N 2.88Å; V61-L99 HydrophobicContact CG2-CB 4.13Å; V61-W115 HydrophobicContact CB-CH2 4.4Å; V61-W115 HydrophobicContact CB-CZ3 4.12Å; V61-W115 HydrophobicContact CG1-CH2 4.39Å; V61-W115 HydrophobicContact CG2-CH2 4.32Å; V61-W115 HydrophobicContact CG2-CZ3 4.2Å
62N88.3Confident80.9Confident3 Ų355.1 Ų55.12%0.01631%0.307CS..EExtended strand (participates in β ladder)trans-78.6123.8167.1175.6-3.4000108.8E64 T65 N66 T67 Y92 F96N62-E64 VanDerWaalsContact C-N 3.35Å; N62-E64 PolarHBondContact O-N 2.96Å; N62-E64 WeakPolarHBondContact OD1-CB 3.36Å; N62-E64 PolarHBondContact OD1-N 3.26Å; N62-T65 WeakPolarHBondContact CB-OG1 3.02Å; N62-T65 PolarHBondContact ND2-OG1 3.33Å; N62-T65 VanDerWaalsContact ND2-OG1 3.15Å; N62-N66 WeakPolarHBondContact O-CA 3.49Å; N62-N66 PolarHBondContact O-N 2.96Å; N62-T67 PolarHBondContact N-O 3.12Å; N62-Y92 WeakPolarHBondContact ND2-CE2 3.06Å; N62-Y92 PolarHBondContact ND2-OH 2.03Å; N62-F96 HydrophobicContact CB-CD1 4.05Å; N62-F96 HydrophobicContact CB-CE1 3.87Å
63M86.8Confident82Confident75 Ų7559.6 Ų59.637%0.36933%0.328SS..THydrogen-bonded Turntrans-75.4-19.4-177.2-65.2-62.1-58.500114T95 R97 W115M63-T95 HydrophobicContact CB-CG2 3.91Å; M63-T95 WeakPolarHBondContact CB-O 3.41Å; M63-T95 HydrophobicContact CG-CG2 3.87Å; M63-T95 PolarHBondContact N-O 2.83Å; M63-R97 HydrophobicContact CG-CB 4.35Å; M63-R97 HydrophobicContact CG-CG 3.85Å; M63-R97 HydrophobicContact SD-CB 3.99Å; M63-R97 HydrophobicContact SD-CG 3.85Å; M63-W115 HydrophobicContact SD-CZ3 4.33Å
64E84.5Confident83.1Confident152 Ų15254.1 Ų54.171%0.7130%0.3SS*.THydrogen-bonded Turntrans-80-41179-172.9178-164.400111.7N62N62-E64 VanDerWaalsContact C-N 3.35Å; N62-E64 PolarHBondContact O-N 2.96Å; N62-E64 WeakPolarHBondContact OD1-CB 3.36Å; N62-E64 PolarHBondContact OD1-N 3.26Å
65T82.1Confident83.3Confident78 Ų7856.9 Ų56.948%0.47932%0.318SS..THydrogen-bonded Turntrans-97.3-11.8178.755.20000113.8N62 T67N62-T65 WeakPolarHBondContact CB-OG1 3.02Å; N62-T65 PolarHBondContact ND2-OG1 3.33Å; N62-T65 VanDerWaalsContact ND2-OG1 3.15Å; T65-T67 PolarHBondContact O-N 3.47Å; T65-T67 PolarHBondContact OG1-OG1 2.81Å
66N85.9Confident82.8Confident124 Ų12455.6 Ų55.666%0.66331%0.314SS*.THydrogen-bonded Turntrans51.735.4-170.3-161.123.3000113.7N62N62-N66 WeakPolarHBondContact O-CA 3.49Å; N62-N66 PolarHBondContact O-N 2.96Å
67T84.9Confident82Confident74 Ų7462.7 Ų62.745%0.45435%0.352SS..EExtended strand (participates in β ladder)trans-109.1139.317952.20000111.6V61 N62 T65V61-T67 WeakPolarHBondContact CA-O 3.08Å; N62-T67 PolarHBondContact N-O 3.12Å; T65-T67 PolarHBondContact O-N 3.47Å; T65-T67 PolarHBondContact OG1-OG1 2.81Å
68S83.6Confident81Confident82 Ų8265.8 Ų65.857%0.57336%0.363SS*.EExtended strand (participates in β ladder)trans-76.6121.9170.543.30000110.6L60L60-S68 CarbonylContact O-C 3.51Å; L60-S68 WeakPolarHBondContact O-CA 3.49Å
69V84.1Confident79.9Confident57 Ų5769.6 Ų69.635%0.34538%0.383SS..EExtended strand (participates in β ladder)trans-82.4-42.5179179.30000111.1L60 F96L60-V69 HydrophobicContact CD2-CB 4.22Å; L60-V69 HydrophobicContact CD2-CG1 4.42Å; L60-V69 HydrophobicContact CG-CB 4.29Å; L60-V69 PolarHBondContact O-N 3.49Å; V69-F96 HydrophobicContact CG2-CE1 4.09Å
70L85.6Confident79.2Confident62 Ų6273.5 Ų73.533%0.32541%0.406SS..EExtended strand (participates in β ladder)trans-145.9146.9175.5-177.362.3000109S59 L60 R72 F85S59-L70 CarbonylContact C-O 3.59Å; S59-L70 VanDerWaalsContact CA-O 3.24Å; S59-L70 WeakPolarHBondContact CA-O 3.39Å; L60-L70 PolarHBondContact N-O 2.75Å; L70-R72 HydrophobicContact CD2-CG 4.44Å; L70-F85 HydrophobicContact CD2-CD1 4.03Å; L70-F85 HydrophobicContact CD2-CE1 4.03Å; L70-F85 HydrophobicContact CG-CE1 4.43Å
71S84.4Confident78.6Confident67 Ų6774 Ų7447%0.46941%0.411SS..EExtended strand (participates in β ladder)trans-128128.9169.3-170.20000109.2
72R83Confident78.3Confident70 Ų7080 Ų8026%0.26443%0.433SS..EExtended strand (participates in β ladder)trans-109.5142.4171.6-67-169.4175.6-166.43.4109.6S57 L58 L70 E83 E84 F85 D86S57-R72 CarbonylContact C-O 3.58Å; S57-R72 VanDerWaalsContact CA-O 3.31Å; S57-R72 WeakPolarHBondContact CA-O 3.47Å; L58-R72 PolarHBondContact N-O 2.78Å; L58-R72 PolarHBondContact O-N 2.88Å; L70-R72 HydrophobicContact CD2-CG 4.44Å; R72-E83 WeakPolarHBondContact CD-OE2 3.47Å; R72-E83 IonicContact CZ-OE2 2.73Å; R72-E83 IonicContact NE-OE2 3.78Å; R72-E83 IonicContact NH1-OE2 2.68Å; R72-E83 PolarHBondContact NH1-OE2 3.14Å; R72-E84 PolarHBondContact NH1-O 2.97Å; R72-E84 PolarHBondContact NH2-O 2.87Å; R72-F85 HydrophobicContact CG-CZ 4.43Å; R72-D86 IonicContact NH2-OD1 3.13Å
73I81.1Confident78.2Confident138 Ų13881.7 Ų81.771%0.70844%0.441SS*.EExtended strand (participates in β ladder)trans-99.3124.1171.7-57.4175.1000106.9
74L76.6Confident78.3Confident5 Ų582.4 Ų82.43%0.02644%0.443CS..EExtended strand (participates in β ladder)trans-85.4141.8-178.8-64168.7000110.3F44 M56 L58 S76 E83F44-L74 HydrophobicContact CD1-CD1 4.23Å; F44-L74 HydrophobicContact CD1-CD2 4.48Å; F44-L74 HydrophobicContact CD2-CD1 4.15Å; F44-L74 HydrophobicContact CE1-CD1 3.97Å; F44-L74 HydrophobicContact CE1-CD2 3.67Å; F44-L74 HydrophobicContact CE1-CG 4.45Å; F44-L74 HydrophobicContact CE2-CD1 3.89Å; F44-L74 HydrophobicContact CG-CD1 4.31Å; F44-L74 HydrophobicContact CZ-CD1 3.81Å; F44-L74 HydrophobicContact CZ-CD2 3.78Å; F44-L74 HydrophobicContact CZ-CG 4.27Å; M56-L74 HydrophobicContact CB-CB 4.39Å; M56-L74 HydrophobicContact CB-CD1 4.31Å; M56-L74 HydrophobicContact CE-CD1 3.43Å; M56-L74 VanDerWaalsContact CE-CD1 3.43Å; M56-L74 HydrophobicContact CG-CD1 3.88Å; M56-L74 PolarHBondContact O-N 2.93Å; M56-L74 HydrophobicContact SD-CD1 3.64Å; L58-L74 HydrophobicContact CB-CD1 4.26Å; L74-S76 PolarHBondContact O-N 2.99Å; L74-E83 HydrophobicContact CD2-CG 3.41Å; L74-E83 VanDerWaalsContact CD2-CG 3.41Å
75P68.6Low78.4Confident74 Ų7475.2 Ų75.248%0.48141%0.409SS..PPolyproline II helixtrans-68.7125178.527.7-33.4000110.7N77 Q78P75-N77 PolarHBondContact O-N 2.91Å; P75-Q78 HydrophobicContact CG-CB 4.35Å; P75-Q78 PolarHBondContact O-N 2.04Å
76S61.2Low78.6Confident41 Ų4173.4 Ų73.429%0.28740%0.397SS..THydrogen-bonded Turntrans-56.7-13.8-173.6-50.30000116.1T54 N55 L74T54-S76 VanDerWaalsContact O-CB 3.3Å; T54-S76 WeakPolarHBondContact O-CB 3.33Å; T54-S76 PolarHBondContact O-OG 2.69Å; N55-S76 PolarHBondContact OD1-OG 2.75Å; L74-S76 PolarHBondContact O-N 2.99Å
77N60.5Low78.5Confident161 Ų16167.8 Ų67.886%0.86137%0.367SS*.THydrogen-bonded Turntrans-84-12.1179-64.6-9.7000113.5P75P75-N77 PolarHBondContact O-N 2.91Å
78Q63.3Low78.5Confident97 Ų9767 Ų6745%0.45336%0.364SS..  trans-106.295.6-173.8-173.5160.34.500112.2P75 V80 G81P75-Q78 HydrophobicContact CG-CB 4.35Å; P75-Q78 PolarHBondContact O-N 2.04Å; Q78-V80 VanDerWaalsContact C-N 3.33Å; Q78-V80 WeakPolarHBondContact CG-O 2.98Å; Q78-V80 PolarHBondContact NE2-O 3.27Å; Q78-V80 PolarHBondContact O-N 2.8Å; Q78-G81 VanDerWaalsContact NE2-CA 3.34Å
79L64.9Low78.5Confident80 Ų8063.4 Ų63.442%0.41934%0.34SS..SBendtrans-76.2-16.1-179.6-59177000114A46A46-L79 PolarHBondContact N-O 3.41Å; A46-L79 WeakPolarHBondContact O-CD2 3.48Å
80V74.2Confident78.6Confident97 Ų9760.7 Ų60.759%0.58832%0.323SS*.EExtended strand (participates in β ladder)trans-141.5128.9172.9-177.10000108.5F44 Q78F44-V80 WeakPolarHBondContact O-CA 3.44Å; Q78-V80 VanDerWaalsContact C-N 3.33Å; Q78-V80 WeakPolarHBondContact CG-O 2.98Å; Q78-V80 PolarHBondContact NE2-O 3.27Å; Q78-V80 PolarHBondContact O-N 2.8Å
81G78.1Confident78.5Confident9 Ų959.3 Ų59.39%0.09332%0.316CS..EExtended strand (participates in β ladder)trans-160.1172.3-176.300000114.4D43 F44 Q78D43-G81 WeakPolarHBondContact CA-O 3.44Å; F44-G81 VanDerWaalsContact CD1-O 3.26Å; F44-G81 WeakPolarHBondContact CD1-O 3.39Å; F44-G81 VanDerWaalsContact CE1-C 3.46Å; F44-G81 PolarHBondContact N-O 3.47Å; F44-G81 PolarHBondContact O-N 3.48Å; Q78-G81 VanDerWaalsContact NE2-CA 3.34Å
82R82.9Confident78.5Confident134 Ų13457.5 Ų57.551%0.50630%0.299SS..EExtended strand (participates in β ladder)trans-125.5113.6176.5175.2170-72.8-166.7-5.3108.2F41 V42 D43F41-R82 HydrophobicContact CB-CG 4.12Å; F41-R82 HydrophobicContact CD1-CG 3.9Å; F41-R82 HydrophobicContact CG-CG 4.43Å; V42-R82 WeakPolarHBondContact O-CA 3.08Å; D43-R82 VanDerWaalsContact OD1-CB 3.24Å; D43-R82 WeakPolarHBondContact OD1-CB 3.08Å; D43-R82 WeakPolarHBondContact OD1-CG 3.17Å; D43-R82 IonicContact OD1-CZ 2.77Å; D43-R82 IonicContact OD1-NE 2.7Å; D43-R82 PolarHBondContact OD1-NE 2.87Å; D43-R82 IonicContact OD1-NH2 3.2Å; D43-R82 PolarHBondContact OD1-NH2 3.18Å; D43-R82 IonicContact OD2-CZ 2.81Å; D43-R82 IonicContact OD2-NE 3.04Å; D43-R82 IonicContact OD2-NH2 3.3Å; D43-R82 PolarHBondContact OD2-NH2 3.3Å
83E86.4Confident78.8Confident39 Ų3955 Ų5518%0.18229%0.294CS..EExtended strand (participates in β ladder)trans-89.8141.8167.1-81.1-6213400110.6F41 V42 F44 L58 R72 L74 F85F41-E83 CarbonylContact C-O 3.52Å; F41-E83 WeakPolarHBondContact CA-O 3.49Å; V42-E83 PolarHBondContact N-O 3.07Å; V42-E83 PolarHBondContact O-N 2.98Å; F44-E83 HydrophobicContact CE1-CG 4.33Å; L58-E83 HydrophobicContact CD2-CB 4Å; L58-E83 HydrophobicContact CD2-CG 4.04Å; R72-E83 WeakPolarHBondContact CD-OE2 3.47Å; R72-E83 IonicContact CZ-OE2 2.73Å; R72-E83 IonicContact NE-OE2 3.78Å; R72-E83 IonicContact NH1-OE2 2.68Å; R72-E83 PolarHBondContact NH1-OE2 3.14Å; L74-E83 HydrophobicContact CD2-CG 3.41Å; L74-E83 VanDerWaalsContact CD2-CG 3.41Å; E83-F85 HydrophobicContact CB-CD2 4.45Å; E83-F85 HydrophobicContact CB-CE2 3.97Å
84E87.5Confident79.1Confident90 Ų9049.3 Ų49.342%0.42127%0.269SS..EExtended strand (participates in β ladder)trans-107.4120.1173.5-176.3170.5-168.100110.1S39 F41 R72S39-E84 WeakPolarHBondContact CB-OE1 3.35Å; S39-E84 PolarHBondContact OG-OE1 2.86Å; F41-E84 HydrophobicContact CD1-CB 3.94Å; F41-E84 HydrophobicContact CD1-CG 4.02Å; F41-E84 HydrophobicContact CE1-CB 3.78Å; F41-E84 VanDerWaalsContact CE1-CD 3.42Å; F41-E84 HydrophobicContact CE1-CG 3.52Å; F41-E84 HydrophobicContact CZ-CG 4.11Å; R72-E84 PolarHBondContact NH1-O 2.97Å; R72-E84 PolarHBondContact NH2-O 2.87Å
85F87.5Confident79.7Confident0 Ų051.3 Ų51.30%028%0.281CS..EExtended strand (participates in β ladder)trans-96.3105.7172.2-74-103.1000109.3S39 V40 V42 L58 L60 L70 R72 E83 F90 F98S39-F85 WeakPolarHBondContact CA-O 3.32Å; S39-F85 WeakPolarHBondContact CB-O 3.43Å; V40-F85 PolarHBondContact N-O 3.38Å; V40-F85 PolarHBondContact O-N 2.97Å; V42-F85 HydrophobicContact CG2-CD2 4.07Å; V42-F85 HydrophobicContact CG2-CE2 4.02Å; L58-F85 HydrophobicContact CD2-CE2 3.78Å; L58-F85 HydrophobicContact CD2-CZ 4.03Å; L58-F85 HydrophobicContact CG-CE2 4.33Å; L58-F85 HydrophobicContact CG-CZ 4.11Å; L60-F85 HydrophobicContact CB-CE1 4.23Å; L70-F85 HydrophobicContact CD2-CD1 4.03Å; L70-F85 HydrophobicContact CD2-CE1 4.03Å; L70-F85 HydrophobicContact CG-CE1 4.43Å; R72-F85 HydrophobicContact CG-CZ 4.43Å; E83-F85 HydrophobicContact CB-CD2 4.45Å; E83-F85 HydrophobicContact CB-CE2 3.97Å; F85-F90 HydrophobicContact CB-CE2 4.06Å; F85-F90 HydrophobicContact CB-CZ 4.2Å; F85-F98 AromaticContact CD1-CE1 3.89Å; F85-F98 HydrophobicContact CD1-CE1 3.89Å; F85-F98 AromaticContact CD2-CE1 3.65Å; F85-F98 HydrophobicContact CD2-CE1 3.65Å; F85-F98 HydrophobicContact CD2-CZ 4.14Å; F85-F98 HydrophobicContact CE1-CD1 4.39Å; F85-F98 AromaticContact CE1-CE1 3.81Å; F85-F98 HydrophobicContact CE1-CE1 3.81Å; F85-F98 HydrophobicContact CE2-CD1 4.06Å; F85-F98 AromaticContact CE2-CE1 3.56Å; F85-F98 HydrophobicContact CE2-CE1 3.56Å; F85-F98 HydrophobicContact CE2-CZ 4.43Å; F85-F98 AromaticContact CG-CE1 3.83Å; F85-F98 HydrophobicContact CG-CE1 3.83Å; F85-F98 HydrophobicContact CG-CZ 4.26Å; F85-F98 AromaticContact CZ-CD1 3.98Å; F85-F98 HydrophobicContact CZ-CD1 3.98Å; F85-F98 AromaticContact CZ-CE1 3.66Å; F85-F98 HydrophobicContact CZ-CE1 3.66Å
86D87Confident80.8Confident40 Ų4047.8 Ų47.821%0.21426%0.258CS..  trans-49.9152.8172.7-69.160.6000112.7R72 S88 C89 R155R72-D86 IonicContact NH2-OD1 3.13Å; D86-S88 PolarHBondContact O-N 2.87Å; D86-C89 WeakPolarHBondContact O-CB 3.42Å; D86-C89 PolarHBondContact O-N 2.94Å; D86-C89 PolarHBondContact O-SG 2.9Å; D86-R155 IonicContact OD2-CZ 3.89Å; D86-R155 IonicContact OD2-NH1 3.15Å; D86-R155 PolarHBondContact OD2-NH1 2.9Å
87C83.9Confident82.2Confident7 Ų749.6 Ų49.65%0.04726%0.259CS..G310 helixtrans-53.9-21.317657.40000115.6S36 G38 C89 F90 C153S36-C87 WeakPolarHBondContact O-CB 3.4Å; G38-C87 WeakPolarHBondContact O-CB 3.36Å; C87-C89 PolarHBondContact O-N 2.97Å; C87-F90 PolarHBondContact O-N 3.43Å; C87-F90 VanDerWaalsContact O-N 3.09Å; C87-C153 HydrophobicContact CB-CB 3.54Å; C87-C153 WeakPolarHBondContact CB-SG 3.25Å; C87-C153 VanDerWaalsContact SG-CA 3.55Å; C87-C153 WeakPolarHBondContact SG-CB 3.19Å; C87-C153 CovalentContact SG-SG 2.03Å; C87-C153 PolarHBondContact SG-SG 2.04Å
88S83.9Confident83.6Confident56 Ų5641.9 Ų41.939%0.39222%0.218SC..G310 helixtrans-63.4-17173.9540000113.5D86 F90 C153D86-S88 PolarHBondContact O-N 2.87Å; S88-F90 VanDerWaalsContact C-N 3.34Å; S88-C153 PolarHBondContact N-SG 3.47Å
89C83.9Confident84.8Confident8 Ų839.1 Ų39.15%0.05421%0.205CC..G310 helixtrans-76.1-20.5174.2-54.20000113.1L60 D86 C87L60-C89 HydrophobicContact CD2-CB 3.84Å; D86-C89 WeakPolarHBondContact O-CB 3.42Å; D86-C89 PolarHBondContact O-N 2.94Å; D86-C89 PolarHBondContact O-SG 2.9Å; C87-C89 PolarHBondContact O-N 2.97Å
90F86.3Confident85.8Confident0 Ų035.3 Ų35.30%019%0.185CC..  trans-11951.8-166-55.4-66.2000112.2H32 A34 L35 V40 L60 F85 C87 S88 Y92 F98 L119 V121H32-F90 AromaticContact CD2-CD2 3.76Å; H32-F90 AromaticContact CD2-CG 3.55Å; H32-F90 WeakPolarHBondContact NE2-CB 3.41Å; H32-F90 AromaticContact NE2-CD2 3.59Å; H32-F90 AromaticContact NE2-CG 3.69Å; A34-F90 WeakPolarHBondContact CA-O 3.45Å; L35-F90 PolarHBondContact N-O 3.18Å; V40-F90 HydrophobicContact CB-CE2 3.78Å; V40-F90 HydrophobicContact CB-CZ 3.84Å; V40-F90 HydrophobicContact CG2-CD2 4.22Å; V40-F90 HydrophobicContact CG2-CE2 3.52Å; V40-F90 HydrophobicContact CG2-CZ 3.72Å; L60-F90 HydrophobicContact CD1-CE1 4.17Å; L60-F90 HydrophobicContact CD2-CD1 4.37Å; L60-F90 HydrophobicContact CD2-CE1 3.66Å; L60-F90 HydrophobicContact CD2-CZ 4.03Å; F85-F90 HydrophobicContact CB-CE2 4.06Å; F85-F90 HydrophobicContact CB-CZ 4.2Å; C87-F90 PolarHBondContact O-N 3.43Å; C87-F90 VanDerWaalsContact O-N 3.09Å; S88-F90 VanDerWaalsContact C-N 3.34Å; F90-Y92 PolarHBondContact O-N 3.29Å; F90-F98 HydrophobicContact CZ-CZ 4.42Å; F90-L119 HydrophobicContact CD1-CD2 4.44Å; F90-L119 HydrophobicContact CE1-CD2 3.59Å; F90-L119 HydrophobicContact CZ-CD2 3.95Å; F90-V121 HydrophobicContact CD1-CG2 3.94Å; F90-V121 HydrophobicContact CE1-CG2 4.44Å
91L83.2Confident86.2Confident32 Ų3233.1 Ų33.117%0.16817%0.171CC..SBendtrans-72.8-11.2-179.5-58.6-179.7000114.2L35 T157L35-L91 HydrophobicContact CD2-CB 4.4Å; L35-L91 HydrophobicContact CD2-CD2 4.1Å; L35-L91 WeakPolarHBondContact CD2-O 3.07Å; L91-T157 HydrophobicContact CD1-CG2 4.07Å; L91-T157 HydrophobicContact CD2-CG2 4.12Å
92Y85.4Confident86.1Confident30 Ų3034.6 Ų34.612%0.11817%0.173CC..SBendtrans-147.3157.4-178.662.6-86.6000113.3N62 F90 F96 V121 W123 H219 T220N62-Y92 WeakPolarHBondContact ND2-CE2 3.06Å; N62-Y92 PolarHBondContact ND2-OH 2.03Å; F90-Y92 PolarHBondContact O-N 3.29Å; Y92-F96 HydrophobicContact CD2-CZ 4.01Å; Y92-F96 HydrophobicContact CE1-CZ 4.46Å; Y92-F96 HydrophobicContact CE2-CE1 4.06Å; Y92-F96 HydrophobicContact CE2-CE2 4.44Å; Y92-F96 AromaticContact CE2-CZ 3.48Å; Y92-F96 HydrophobicContact CE2-CZ 3.48Å; Y92-F96 VanDerWaalsContact CE2-CZ 3.48Å; Y92-F96 AromaticContact CZ-CE1 3.93Å; Y92-F96 AromaticContact CZ-CZ 3.73Å; Y92-V121 WeakPolarHBondContact O-CG1 3.41Å; Y92-W123 VanDerWaalsContact CA-CH2 3.43Å; Y92-H219 HydrophobicContact CD1-CB 3.75Å; Y92-H219 HydrophobicContact CE1-CB 4.46Å; Y92-H219 HydrophobicContact CG-CB 4.15Å; Y92-T220 HydrophobicContact CD2-CG2 3.81Å; Y92-T220 HydrophobicContact CG-CG2 3.96Å
93A87.8Confident85.5Confident18 Ų1831.3 Ų31.315%0.14917%0.168CC..  trans-79.4147.8176.100000112V121 W123A93-V121 CarbonylContact C-O 3.57Å; A93-V121 VanDerWaalsContact CA-O 3.28Å; A93-V121 WeakPolarHBondContact CA-O 3.49Å; A93-V121 WeakPolarHBondContact CB-O 3.36Å; A93-W123 HydrophobicContact CB-CB 4.38Å; A93-W123 VanDerWaalsContact CB-CD1 3.44Å; A93-W123 HydrophobicContact CB-CD2 3.71Å; A93-W123 HydrophobicContact CB-CG 3.58Å; A93-W123 HydrophobicContact CB-CZ2 4.4Å
94G87.7Confident84.6Confident18 Ų1831 Ų3119%0.18617%0.168CC..EExtended strand (participates in β ladder)trans164.4-179.8-178.500000112.3F96 V121G94-F96 WeakPolarHBondContact O-CD2 3.41Å; G94-V121 PolarHBondContact N-O 3.49Å; G94-V121 PolarHBondContact O-N 3.39Å
95T90.5Very high83.2Confident46 Ų4632 Ų3228%0.28218%0.18SC..EExtended strand (participates in β ladder)trans-96.2122.2172.8-75.60000109.7M63 E118M63-T95 HydrophobicContact CB-CG2 3.91Å; M63-T95 WeakPolarHBondContact CB-O 3.41Å; M63-T95 HydrophobicContact CG-CG2 3.87Å; M63-T95 PolarHBondContact N-O 2.83Å; T95-E118 HydrophobicContact CG2-CG 3.51Å; T95-E118 WeakPolarHBondContact CG2-OE1 3.3Å; T95-E118 PolarHBondContact OG1-OE1 2.77Å
96F90.9Very high81.8Confident0 Ų035.8 Ų35.80%021%0.206CC..EExtended strand (participates in β ladder)trans-120.7152.1-179.4-62.7-96.7000111.4L60 V61 N62 V69 Y92 G94 L119 V121L60-F96 HydrophobicContact CD1-CB 3.8Å; L60-F96 HydrophobicContact CD1-CD1 3.94Å; L60-F96 HydrophobicContact CD1-CG 4.2Å; L60-F96 HydrophobicContact CG-CD1 4.22Å; V61-F96 WeakPolarHBondContact O-CA 3.46Å; N62-F96 HydrophobicContact CB-CD1 4.05Å; N62-F96 HydrophobicContact CB-CE1 3.87Å; V69-F96 HydrophobicContact CG2-CE1 4.09Å; Y92-F96 HydrophobicContact CD2-CZ 4.01Å; Y92-F96 HydrophobicContact CE1-CZ 4.46Å; Y92-F96 HydrophobicContact CE2-CE1 4.06Å; Y92-F96 HydrophobicContact CE2-CE2 4.44Å; Y92-F96 AromaticContact CE2-CZ 3.48Å; Y92-F96 HydrophobicContact CE2-CZ 3.48Å; Y92-F96 VanDerWaalsContact CE2-CZ 3.48Å; Y92-F96 AromaticContact CZ-CE1 3.93Å; Y92-F96 AromaticContact CZ-CZ 3.73Å; G94-F96 WeakPolarHBondContact O-CD2 3.41Å; F96-L119 HydrophobicContact CB-CB 4.35Å; F96-L119 HydrophobicContact CB-CD2 4.41Å; F96-L119 PolarHBondContact N-O 3.05Å; F96-L119 PolarHBondContact O-N 3.31Å; F96-V121 HydrophobicContact CD2-CB 4Å; F96-V121 HydrophobicContact CD2-CG2 3.45Å; F96-V121 VanDerWaalsContact CD2-CG2 3.45Å; F96-V121 HydrophobicContact CE2-CB 3.82Å; F96-V121 HydrophobicContact CE2-CG2 3.65Å; F96-V121 HydrophobicContact CG-CG2 4.45Å
97R91.1Very high79.9Confident79 Ų7937 Ų3730%0.29822%0.218SC..EExtended strand (participates in β ladder)trans-138.5150.5168.6-63.8-172.5-174.6-176.40.7109.7V61 M63 W115 E118V61-R97 PolarHBondContact N-O 3.49Å; V61-R97 PolarHBondContact O-N 2.88Å; M63-R97 HydrophobicContact CG-CB 4.35Å; M63-R97 HydrophobicContact CG-CG 3.85Å; M63-R97 HydrophobicContact SD-CB 3.99Å; M63-R97 HydrophobicContact SD-CG 3.85Å; R97-W115 HydrophobicContact CB-CE3 3.79Å; R97-W115 HydrophobicContact CB-CZ3 4.08Å; R97-E118 IonicContact CZ-OE2 3.26Å; R97-E118 IonicContact NE-OE2 2.72Å; R97-E118 PolarHBondContact NE-OE2 2.81Å; R97-E118 IonicContact NH2-OE2 3.15Å; R97-E118 PolarHBondContact NH2-OE2 3.3Å
98F89.5Confident78.4Confident0 Ų043.2 Ų43.20%026%0.256CS..EExtended strand (participates in β ladder)trans-92.8130.3170.4-62.6-90.7000109.5L25 I27 V40 V42 L58 S59 L60 F85 F90 S116 L119L25-F98 HydrophobicContact CD2-CB 3.86Å; I27-F98 HydrophobicContact CD1-CD2 3.62Å; I27-F98 HydrophobicContact CD1-CE2 3.87Å; I27-F98 HydrophobicContact CG1-CD2 3.81Å; I27-F98 HydrophobicContact CG1-CE2 4.07Å; I27-F98 HydrophobicContact CG2-CE2 3.98Å; V40-F98 HydrophobicContact CG1-CE2 4.29Å; V40-F98 HydrophobicContact CG1-CZ 4.27Å; V42-F98 HydrophobicContact CG2-CD1 3.82Å; V42-F98 HydrophobicContact CG2-CD2 3.72Å; V42-F98 HydrophobicContact CG2-CE1 3.65Å; V42-F98 HydrophobicContact CG2-CE2 3.55Å; V42-F98 HydrophobicContact CG2-CG 3.85Å; V42-F98 HydrophobicContact CG2-CZ 3.5Å; V42-F98 VanDerWaalsContact CG2-CZ 3.5Å; L58-F98 HydrophobicContact CD1-CB 3.91Å; L58-F98 HydrophobicContact CD1-CD1 4.43Å; S59-F98 CarbonylContact O-C 3.54Å; S59-F98 VanDerWaalsContact O-CA 3.3Å; S59-F98 WeakPolarHBondContact O-CA 3.4Å; L60-F98 HydrophobicContact CB-CD1 4.09Å; L60-F98 HydrophobicContact CB-CE1 3.9Å; L60-F98 HydrophobicContact CD1-CD1 4.17Å; L60-F98 HydrophobicContact CD1-CE1 3.77Å; L60-F98 HydrophobicContact CD1-CE2 4.26Å; L60-F98 HydrophobicContact CD1-CZ 3.83Å; L60-F98 HydrophobicContact CG-CE1 4.32Å; F85-F98 AromaticContact CD1-CE1 3.89Å; F85-F98 HydrophobicContact CD1-CE1 3.89Å; F85-F98 AromaticContact CD2-CE1 3.65Å; F85-F98 HydrophobicContact CD2-CE1 3.65Å; F85-F98 HydrophobicContact CD2-CZ 4.14Å; F85-F98 HydrophobicContact CE1-CD1 4.39Å; F85-F98 AromaticContact CE1-CE1 3.81Å; F85-F98 HydrophobicContact CE1-CE1 3.81Å; F85-F98 HydrophobicContact CE2-CD1 4.06Å; F85-F98 AromaticContact CE2-CE1 3.56Å; F85-F98 HydrophobicContact CE2-CE1 3.56Å; F85-F98 HydrophobicContact CE2-CZ 4.43Å; F85-F98 AromaticContact CG-CE1 3.83Å; F85-F98 HydrophobicContact CG-CE1 3.83Å; F85-F98 HydrophobicContact CG-CZ 4.26Å; F85-F98 AromaticContact CZ-CD1 3.98Å; F85-F98 HydrophobicContact CZ-CD1 3.98Å; F85-F98 AromaticContact CZ-CE1 3.66Å; F85-F98 HydrophobicContact CZ-CE1 3.66Å; F90-F98 HydrophobicContact CZ-CZ 4.42Å; F98-S116 PolarHBondContact N-OG 2.81Å; F98-S116 PolarHBondContact O-N 2.86Å; F98-S116 PolarHBondContact O-OG 2.86Å; F98-L119 HydrophobicContact CE2-CD2 4.21Å
99L88Confident77Confident38 Ų3849.7 Ų49.720%0.19928%0.28CS..EExtended strand (participates in β ladder)trans-102.2111.4172.5176.859.3000108.2S59 V61 W115S59-L99 PolarHBondContact N-O 3.35Å; S59-L99 PolarHBondContact O-N 3.27Å; V61-L99 HydrophobicContact CG2-CB 4.13Å; L99-W115 HydrophobicContact CB-CE3 4.04Å; L99-W115 HydrophobicContact CB-CH2 4.06Å; L99-W115 HydrophobicContact CB-CZ3 3.76Å; L99-W115 HydrophobicContact CD1-CD2 4.04Å; L99-W115 HydrophobicContact CD1-CE3 4.33Å; L99-W115 HydrophobicContact CD1-CH2 4.3Å; L99-W115 HydrophobicContact CD1-CZ2 3.97Å; L99-W115 HydrophobicContact CD1-CZ3 4.46Å; L99-W115 HydrophobicContact CD2-CH2 4.08Å; L99-W115 HydrophobicContact CD2-CZ2 4.2Å; L99-W115 HydrophobicContact CG-CH2 4.39Å; L99-W115 HydrophobicContact CG-CZ2 4.49Å
100A85.3Confident75.6Confident0 Ų052.2 Ų52.20%030%0.297CS..EExtended strand (participates in β ladder)trans-85.2128164.600000108.8F23 L25 M56 S57 L58 S113 W114F23-A100 HydrophobicContact CE1-CB 3.79Å; F23-A100 HydrophobicContact CZ-CB 3.52Å; L25-A100 HydrophobicContact CD1-CB 3.93Å; M56-A100 HydrophobicContact CE-CB 3.91Å; S57-A100 WeakPolarHBondContact O-CA 2.99Å; L58-A100 HydrophobicContact CD1-CB 4.48Å; A100-S113 CarbonylContact O-C 3.56Å; A100-S113 VanDerWaalsContact O-CA 3.23Å; A100-S113 WeakPolarHBondContact O-CA 3.19Å; A100-W114 HydrophobicContact CB-CB 4.49Å; A100-W114 HydrophobicContact CB-CE3 4.28Å; A100-W114 PolarHBondContact N-O 2.9Å; A100-W114 PolarHBondContact O-N 2.92Å
101N82.8Confident74.5Confident52 Ų5256.3 Ų56.328%0.27833%0.326SS..EExtended strand (participates in β ladder)trans-128.4123.3175.1-174.914.4000109.8M56 S57M56-N101 WeakPolarHBondContact CA-O 3.4Å; S57-N101 PolarHBondContact N-O 3.22Å; S57-N101 PolarHBondContact O-N 2.81Å
102R76.5Confident73.9Confident40 Ų4056.4 Ų56.415%0.15133%0.332CS..EExtended strand (participates in β ladder)trans-105.9124.6178.1169.5177.1167150.9-1.9109.9S48 T54 D104 S111 A112 W114S48-R102 PolarHBondContact OG-NH1 2.04Å; S48-R102 PolarHBondContact OG-NH2 3.49Å; S48-R102 VanDerWaalsContact OG-NH2 3.16Å; T54-R102 VanDerWaalsContact CG2-CZ 3.45Å; R102-D104 WeakPolarHBondContact CG-OD1 3.08Å; R102-D104 IonicContact CZ-OD1 3.37Å; R102-D104 IonicContact CZ-OD2 3.71Å; R102-D104 IonicContact NE-OD1 2.71Å; R102-D104 PolarHBondContact NE-OD1 2.92Å; R102-D104 IonicContact NE-OD2 3.44Å; R102-D104 PolarHBondContact NE-OD2 3.49Å; R102-D104 IonicContact NH2-OD1 3.29Å; R102-D104 PolarHBondContact NH2-OD1 3.47Å; R102-D104 IonicContact NH2-OD2 2.67Å; R102-D104 PolarHBondContact NH2-OD2 2.9Å; R102-S111 WeakPolarHBondContact O-CA 2.9Å; R102-A112 PolarHBondContact N-O 3.38Å; R102-A112 PolarHBondContact O-N 3.17Å; R102-W114 HydrophobicContact CB-CH2 4.11Å; R102-W114 HydrophobicContact CB-CZ3 3.73Å
103T71Confident73.7Confident64 Ų6458.3 Ų58.339%0.39335%0.349SS..EExtended strand (participates in β ladder)trans-111.1117170.852.10000110.4N55N55-T103 PolarHBondContact N-O 2.94Å; N55-T103 VanDerWaalsContact N-O 3.11Å; N55-T103 PolarHBondContact O-N 3.48Å; N55-T103 PolarHBondContact O-OG1 3.19Å
104D66.6Low73.5Confident34 Ų3461.1 Ų61.118%0.18236%0.356CS..EExtended strand (participates in β ladder)trans-95.2117.5175.3-76.915.1000108.9R102 S106R102-D104 WeakPolarHBondContact CG-OD1 3.08Å; R102-D104 IonicContact CZ-OD1 3.37Å; R102-D104 IonicContact CZ-OD2 3.71Å; R102-D104 IonicContact NE-OD1 2.71Å; R102-D104 PolarHBondContact NE-OD1 2.92Å; R102-D104 IonicContact NE-OD2 3.44Å; R102-D104 PolarHBondContact NE-OD2 3.49Å; R102-D104 IonicContact NH2-OD1 3.29Å; R102-D104 PolarHBondContact NH2-OD1 3.47Å; R102-D104 IonicContact NH2-OD2 2.67Å; R102-D104 PolarHBondContact NH2-OD2 2.9Å; D104-S106 PolarHBondContact O-N 3.39Å
105V59.1Low73.4Confident111 Ų11165.8 Ų65.867%0.67337%0.368SS*.THydrogen-bonded Turntrans-72.2-13.9-169.9-175.80000113.3
106S57.3Low73.2Confident79 Ų7964.1 Ų64.155%0.55236%0.358SS*.THydrogen-bonded Turntrans-100.21.8-164.4570000116.6T52 D104T52-S106 WeakPolarHBondContact CG2-OG 3.18Å; D104-S106 PolarHBondContact O-N 3.39Å
107S47.2Very low73Confident65 Ų6567.1 Ų67.146%0.45538%0.379SS..SBendtrans-159.7144.4-179.3510000112.6E109S107-E109 PolarHBondContact O-N 2.94Å
108T51.8Low72.9Confident137 Ų13766.5 Ų66.584%0.8438%0.38SS*.THydrogen-bonded Turntrans-55125.4175.443.90000112.3
109E54.8Low72.9Confident193 Ų19366.5 Ų66.590%0.90238%0.38SS*.THydrogen-bonded Turntrans53.263.6162.2-56.8-165.4137.500116.9S107S107-E109 PolarHBondContact O-N 2.94Å
110S54Low73.1Confident60 Ų6069.1 Ų69.142%0.4239%0.391SS..  trans-128.951.2158.159.50000112.8A112S110-A112 PolarHBondContact O-N 2.79Å; S110-A112 VanDerWaalsContact O-N 3.11Å
111S63.3Low73.3Confident87 Ų8769.4 Ų69.461%0.60839%0.393SS*.  trans-67.4104.3168.543.10000110.4R102R102-S111 WeakPolarHBondContact O-CA 2.9Å
112A72.1Confident73.6Confident34 Ų3471.8 Ų71.828%0.28140%0.402SS..EExtended strand (participates in β ladder)trans-95124.8178.100000109.6R102 S110 W114R102-A112 PolarHBondContact N-O 3.38Å; R102-A112 PolarHBondContact O-N 3.17Å; S110-A112 PolarHBondContact O-N 2.79Å; S110-A112 VanDerWaalsContact O-N 3.11Å; A112-W114 HydrophobicContact CB-CH2 3.4Å; A112-W114 HydrophobicContact CB-CZ2 3.56Å; A112-W114 HydrophobicContact CB-CZ3 3.99Å; A112-W114 WeakPolarHBondContact O-CZ3 3.3Å
113S79.7Confident74.1Confident70 Ų7071.9 Ų71.949%0.4940%0.403SS..EExtended strand (participates in β ladder)trans-124.6143.8179.664.90000112A100A100-S113 CarbonylContact O-C 3.56Å; A100-S113 VanDerWaalsContact O-CA 3.23Å; A100-S113 WeakPolarHBondContact O-CA 3.19Å
114W84.7Confident74.8Confident76 Ų7669.3 Ų69.329%0.28839%0.387SS..EExtended strand (participates in β ladder)trans-139.9137.6-175.5-56-87.4000110.7F23 A100 R102 A112F23-W114 HydrophobicContact CB-CD2 3.99Å; F23-W114 HydrophobicContact CB-CE3 4.44Å; F23-W114 HydrophobicContact CB-CG 4.5Å; F23-W114 HydrophobicContact CB-CH2 4.04Å; F23-W114 HydrophobicContact CB-CZ2 3.56Å; F23-W114 HydrophobicContact CB-CZ3 4.46Å; F23-W114 HydrophobicContact CD1-CB 3.67Å; F23-W114 AromaticContact CD1-CD1 3.83Å; F23-W114 AromaticContact CD1-CD2 3.19Å; F23-W114 HydrophobicContact CD1-CD2 3.19Å; F23-W114 AromaticContact CD1-CE2 3.69Å; F23-W114 AromaticContact CD1-CE3 3.48Å; F23-W114 HydrophobicContact CD1-CE3 3.48Å; F23-W114 VanDerWaalsContact CD1-CE3 3.48Å; F23-W114 AromaticContact CD1-CG 3.29Å; F23-W114 HydrophobicContact CD1-CG 3.29Å; F23-W114 HydrophobicContact CD1-CZ2 4.34Å; F23-W114 HydrophobicContact CD1-CZ3 4.15Å; F23-W114 HydrophobicContact CD2-CD2 4.26Å; F23-W114 AromaticContact CD2-CE3 3.91Å; F23-W114 HydrophobicContact CD2-CE3 3.91Å; F23-W114 AromaticContact CD2-CH2 3.94Å; F23-W114 HydrophobicContact CD2-CH2 3.94Å; F23-W114 HydrophobicContact CD2-CZ2 4.32Å; F23-W114 AromaticContact CD2-CZ3 3.73Å; F23-W114 HydrophobicContact CD2-CZ3 3.73Å; F23-W114 HydrophobicContact CE1-CB 3.65Å; F23-W114 AromaticContact CE1-CD2 3.71Å; F23-W114 HydrophobicContact CE1-CD2 3.71Å; F23-W114 AromaticContact CE1-CE3 3.62Å; F23-W114 HydrophobicContact CE1-CE3 3.62Å; F23-W114 AromaticContact CE1-CG 3.76Å; F23-W114 HydrophobicContact CE1-CG 3.76Å; F23-W114 HydrophobicContact CE1-CZ3 4.4Å; F23-W114 HydrophobicContact CE2-CE3 4.03Å; F23-W114 HydrophobicContact CE2-CZ3 4.01Å; F23-W114 AromaticContact CG-CD2 3.53Å; F23-W114 HydrophobicContact CG-CD2 3.53Å; F23-W114 AromaticContact CG-CE2 3.62Å; F23-W114 AromaticContact CG-CE3 3.65Å; F23-W114 HydrophobicContact CG-CE3 3.65Å; F23-W114 HydrophobicContact CG-CG 4.08Å; F23-W114 AromaticContact CG-CH2 3.9Å; F23-W114 HydrophobicContact CG-CH2 3.9Å; F23-W114 AromaticContact CG-CZ2 3.81Å; F23-W114 HydrophobicContact CG-CZ2 3.81Å; F23-W114 AromaticContact CG-CZ3 3.83Å; F23-W114 HydrophobicContact CG-CZ3 3.83Å; F23-W114 HydrophobicContact CZ-CD2 4.43Å; F23-W114 AromaticContact CZ-CE3 3.9Å; F23-W114 HydrophobicContact CZ-CE3 3.9Å; F23-W114 HydrophobicContact CZ-CZ3 4.34Å; A100-W114 HydrophobicContact CB-CB 4.49Å; A100-W114 HydrophobicContact CB-CE3 4.28Å; A100-W114 PolarHBondContact N-O 2.9Å; A100-W114 PolarHBondContact O-N 2.92Å; R102-W114 HydrophobicContact CB-CH2 4.11Å; R102-W114 HydrophobicContact CB-CZ3 3.73Å; A112-W114 HydrophobicContact CB-CH2 3.4Å; A112-W114 HydrophobicContact CB-CZ2 3.56Å; A112-W114 HydrophobicContact CB-CZ3 3.99Å; A112-W114 WeakPolarHBondContact O-CZ3 3.3Å
115W85.6Confident75.7Confident117 Ų11771.4 Ų71.444%0.44340%0.401SS..EExtended strand (participates in β ladder)trans-96.7141174.4-66.898.1000110.7V61 M63 R97 L99V61-W115 HydrophobicContact CB-CH2 4.4Å; V61-W115 HydrophobicContact CB-CZ3 4.12Å; V61-W115 HydrophobicContact CG1-CH2 4.39Å; V61-W115 HydrophobicContact CG2-CH2 4.32Å; V61-W115 HydrophobicContact CG2-CZ3 4.2Å; M63-W115 HydrophobicContact SD-CZ3 4.33Å; R97-W115 HydrophobicContact CB-CE3 3.79Å; R97-W115 HydrophobicContact CB-CZ3 4.08Å; L99-W115 HydrophobicContact CB-CE3 4.04Å; L99-W115 HydrophobicContact CB-CH2 4.06Å; L99-W115 HydrophobicContact CB-CZ3 3.76Å; L99-W115 HydrophobicContact CD1-CD2 4.04Å; L99-W115 HydrophobicContact CD1-CE3 4.33Å; L99-W115 HydrophobicContact CD1-CH2 4.3Å; L99-W115 HydrophobicContact CD1-CZ2 3.97Å; L99-W115 HydrophobicContact CD1-CZ3 4.46Å; L99-W115 HydrophobicContact CD2-CH2 4.08Å; L99-W115 HydrophobicContact CD2-CZ2 4.2Å; L99-W115 HydrophobicContact CG-CH2 4.39Å; L99-W115 HydrophobicContact CG-CZ2 4.49Å
116S86.8Confident77Confident10 Ų1066.6 Ų66.67%0.0737%0.371CS..  trans-67.2174.8166.965.90000112.7F98F98-S116 PolarHBondContact N-OG 2.81Å; F98-S116 PolarHBondContact O-N 2.86Å; F98-S116 PolarHBondContact O-OG 2.86Å
117S86.4Confident78.3Confident63 Ų6367.8 Ų67.844%0.44137%0.368SS..PPolyproline II helixtrans-55.9169.7153.855.30000111.7I27I27-S117 WeakPolarHBondContact CD1-O 3.49Å
118E89.3Confident80.2Confident66 Ų6666.7 Ų66.731%0.30836%0.356SS..PPolyproline II helixtrans-80.2134.2177-165.9164119.200112T95 R97T95-E118 HydrophobicContact CG2-CG 3.51Å; T95-E118 WeakPolarHBondContact CG2-OE1 3.3Å; T95-E118 PolarHBondContact OG1-OE1 2.77Å; R97-E118 IonicContact CZ-OE2 3.26Å; R97-E118 IonicContact NE-OE2 2.72Å; R97-E118 PolarHBondContact NE-OE2 2.81Å; R97-E118 IonicContact NH2-OE2 3.15Å; R97-E118 PolarHBondContact NH2-OE2 3.3Å
119L89.7Confident81.8Confident0 Ų062.5 Ų62.50%033%0.332CS..EExtended strand (participates in β ladder)trans-101.2117.3168.1175.166.3000108.6I27 H32 V40 F90 F96 F98 V121I27-L119 HydrophobicContact CD1-CB 3.89Å; I27-L119 HydrophobicContact CG2-CD1 4.38Å; H32-L119 HydrophobicContact CB-CD1 4.08Å; V40-L119 HydrophobicContact CG1-CD1 4.47Å; V40-L119 HydrophobicContact CG1-CD2 4.19Å; V40-L119 HydrophobicContact CG2-CD2 4.29Å; F90-L119 HydrophobicContact CD1-CD2 4.44Å; F90-L119 HydrophobicContact CE1-CD2 3.59Å; F90-L119 HydrophobicContact CZ-CD2 3.95Å; F96-L119 HydrophobicContact CB-CB 4.35Å; F96-L119 HydrophobicContact CB-CD2 4.41Å; F96-L119 PolarHBondContact N-O 3.05Å; F96-L119 PolarHBondContact O-N 3.31Å; F98-L119 HydrophobicContact CE2-CD2 4.21Å; L119-V121 HydrophobicContact CD2-CG2 4.07Å; L119-V121 HydrophobicContact CG-CG2 4.03Å
120Q90.4Very high83.5Confident94 Ų9453.9 Ų53.944%0.43929%0.293SS..EExtended strand (participates in β ladder)trans-93.5116.8172.4-66.8-169.5-1000109.8S30 F31 H32S30-Q120 PolarHBondContact O-N 3.41Å; F31-Q120 WeakPolarHBondContact CA-O 3.36Å; H32-Q120 PolarHBondContact N-O 2.92Å
121V90.2Very high85.1Confident5 Ų555.6 Ų55.63%0.0330%0.295CS..EExtended strand (participates in β ladder)trans-103.8120.6173.7-174.60000108.3H32 A34 F90 Y92 A93 G94 F96 L119H32-V121 HydrophobicContact CB-CG2 4.33Å; H32-V121 WeakPolarHBondContact O-CA 3.34Å; A34-V121 HydrophobicContact CB-CG1 3.89Å; F90-V121 HydrophobicContact CD1-CG2 3.94Å; F90-V121 HydrophobicContact CE1-CG2 4.44Å; Y92-V121 WeakPolarHBondContact O-CG1 3.41Å; A93-V121 CarbonylContact C-O 3.57Å; A93-V121 VanDerWaalsContact CA-O 3.28Å; A93-V121 WeakPolarHBondContact CA-O 3.49Å; A93-V121 WeakPolarHBondContact CB-O 3.36Å; G94-V121 PolarHBondContact N-O 3.49Å; G94-V121 PolarHBondContact O-N 3.39Å; F96-V121 HydrophobicContact CD2-CB 4Å; F96-V121 HydrophobicContact CD2-CG2 3.45Å; F96-V121 VanDerWaalsContact CD2-CG2 3.45Å; F96-V121 HydrophobicContact CE2-CB 3.82Å; F96-V121 HydrophobicContact CE2-CG2 3.65Å; F96-V121 HydrophobicContact CG-CG2 4.45Å; L119-V121 HydrophobicContact CD2-CG2 4.07Å; L119-V121 HydrophobicContact CG-CG2 4.03Å
122Q89.4Confident86.1Confident102 Ų10254.2 Ų54.248%0.47728%0.277SS..EExtended strand (participates in β ladder)trans-110.8154177.5-71.1-177.512.700112.1F31 H32 V33 A34F31-Q122 HydrophobicContact CE2-CB 3.91Å; F31-Q122 HydrophobicContact CE2-CG 3.78Å; F31-Q122 HydrophobicContact CZ-CB 4.18Å; H32-Q122 PolarHBondContact O-N 2.8Å; V33-Q122 WeakPolarHBondContact CA-O 3.26Å; A34-Q122 PolarHBondContact N-O 3.21Å
123W86.5Confident86.4Confident43 Ų4353 Ų5316%0.16327%0.268CS..  trans-66.9142170.9-68.9119.6000110.1A34 L35 Y92 A93 L161 T220 V224A34-W123 HydrophobicContact CB-CD2 4.5Å; A34-W123 HydrophobicContact CB-CE3 3.78Å; A34-W123 HydrophobicContact CB-CZ3 4.04Å; L35-W123 HydrophobicContact CD1-CZ3 4.17Å; L35-W123 HydrophobicContact CG-CZ3 4.45Å; Y92-W123 VanDerWaalsContact CA-CH2 3.43Å; A93-W123 HydrophobicContact CB-CB 4.38Å; A93-W123 VanDerWaalsContact CB-CD1 3.44Å; A93-W123 HydrophobicContact CB-CD2 3.71Å; A93-W123 HydrophobicContact CB-CG 3.58Å; A93-W123 HydrophobicContact CB-CZ2 4.4Å; W123-L161 HydrophobicContact CH2-CD2 4.3Å; W123-L161 HydrophobicContact CZ3-CD2 4.16Å; W123-T220 HydrophobicContact CZ2-CG2 4.09Å; W123-V224 HydrophobicContact CB-CG1 4.19Å; W123-V224 HydrophobicContact CD2-CB 4.36Å; W123-V224 HydrophobicContact CD2-CG1 3.65Å; W123-V224 HydrophobicContact CD2-CG2 4.18Å; W123-V224 HydrophobicContact CE3-CG1 3.94Å; W123-V224 HydrophobicContact CE3-CG2 4.46Å; W123-V224 HydrophobicContact CG-CG1 3.76Å; W123-V224 HydrophobicContact CH2-CG2 4Å; W123-V224 HydrophobicContact CZ2-CG2 3.69Å; W123-V224 HydrophobicContact CZ3-CG2 4.38Å
124P86.4Confident85.9Confident10 Ų1052.2 Ų52.27%0.06527%0.271CS..  trans-64.4154.2173.726.1-31.2000110.7V33 A34 F126 F150V33-P124 HydrophobicContact CG1-CB 3.69Å; V33-P124 HydrophobicContact CG1-CG 4.28Å; A34-P124 WeakPolarHBondContact O-CD 3.4Å; P124-F126 HydrophobicContact CG-CE1 4.27Å; P124-F126 HydrophobicContact CG-CE2 3.78Å; P124-F126 HydrophobicContact CG-CZ 3.59Å; P124-F126 WeakPolarHBondContact O-CD2 3.47Å; P124-F126 WeakPolarHBondContact O-CE2 3.44Å; P124-F126 PolarHBondContact O-N 3.34Å; P124-F150 HydrophobicContact CB-CD2 3.75Å; P124-F150 HydrophobicContact CB-CE2 3.7Å; P124-F150 HydrophobicContact CB-CZ 4.45Å; P124-F150 HydrophobicContact CG-CD2 4.32Å; P124-F150 HydrophobicContact CG-CE2 3.77Å; P124-F150 HydrophobicContact CG-CZ 4.13Å
125T85.4Confident85Confident78 Ų7854 Ų5448%0.47929%0.285SS..  trans-73.6102.1-175.8-29.40000110.5N147T125-N147 WeakPolarHBondContact CB-ND2 3.49Å; T125-N147 WeakPolarHBondContact CB-OD1 3.45Å; T125-N147 PolarHBondContact OG1-ND2 2.84Å
126F85.5Confident83.9Confident9 Ų954.8 Ų54.84%0.03929%0.294CS..EExtended strand (participates in β ladder)trans-87.3128.2177.1-63.8-76.3000111.8P124 T146 L161 F189 L215 V224 K225P124-F126 HydrophobicContact CG-CE1 4.27Å; P124-F126 HydrophobicContact CG-CE2 3.78Å; P124-F126 HydrophobicContact CG-CZ 3.59Å; P124-F126 WeakPolarHBondContact O-CD2 3.47Å; P124-F126 WeakPolarHBondContact O-CE2 3.44Å; P124-F126 PolarHBondContact O-N 3.34Å; F126-T146 HydrophobicContact CD1-CG2 3.57Å; F126-T146 HydrophobicContact CE1-CG2 3.62Å; F126-L161 HydrophobicContact CE1-CD1 4.21Å; F126-L161 HydrophobicContact CE2-CD1 4.33Å; F126-L161 HydrophobicContact CZ-CD1 3.6Å; F126-F189 HydrophobicContact CD1-CE1 4.48Å; F126-F189 AromaticContact CE1-CE1 3.93Å; F126-F189 HydrophobicContact CE1-CE1 3.93Å; F126-L215 HydrophobicContact CB-CD2 4.27Å; F126-L215 HydrophobicContact CD1-CD2 3.76Å; F126-L215 HydrophobicContact CD2-CD2 3.56Å; F126-L215 HydrophobicContact CE1-CD2 3.91Å; F126-L215 HydrophobicContact CE2-CD2 3.7Å; F126-L215 HydrophobicContact CG-CD2 3.58Å; F126-L215 HydrophobicContact CZ-CD2 3.86Å; F126-V224 HydrophobicContact CD2-CG1 3.85Å; F126-V224 HydrophobicContact CE2-CG1 3.44Å; F126-V224 VanDerWaalsContact CE2-CG1 3.44Å; F126-V224 HydrophobicContact CZ-CG1 4.41Å; F126-K225 HydrophobicContact CB-CD 4.34Å; F126-K225 PolarHBondContact O-NZ 2.9Å
127H85.8Confident83Confident104 Ų10456.5 Ų56.548%0.48131%0.306SS..EExtended strand (participates in β ladder)trans-100.5143.7166.2-69.3-100.5000109.6L144 S145H127-L144 WeakPolarHBondContact O-CA 3.48Å; H127-S145 PolarHBondContact N-O 3.08Å; H127-S145 PolarHBondContact O-N 2.97Å; H127-S145 VanDerWaalsContact O-N 3.09Å
128I86.6Confident82.5Confident43 Ų4359.3 Ų59.322%0.22131%0.312CS..EExtended strand (participates in β ladder)trans-132116.7-179.1-52-177.4000107.1V142 V143 L144 V213 K225I128-V142 HydrophobicContact CG2-CG1 3.85Å; I128-V143 WeakPolarHBondContact CA-O 3.42Å; I128-L144 HydrophobicContact CD1-CD2 4.18Å; I128-L144 HydrophobicContact CG1-CD2 3.83Å; I128-V213 HydrophobicContact CD1-CG1 4.27Å; I128-V213 HydrophobicContact CG2-CG1 4.15Å; I128-K225 HydrophobicContact CD1-CD 4.03Å; I128-K225 HydrophobicContact CG1-CD 4.35Å
129S86.1Confident82.3Confident48 Ų4860.9 Ų60.934%0.33632%0.316SS..EExtended strand (participates in β ladder)trans-117.1164.6169.346.60000110.2E131 V143S129-E131 PolarHBondContact OG-OE1 2.85Å; S129-V143 PolarHBondContact N-O 3.34Å; S129-V143 PolarHBondContact O-N 3.35Å; S129-V143 WeakPolarHBondContact OG-CB 3.39Å
130V88.8Confident82.2Confident13 Ų1360.9 Ų60.98%0.07932%0.316CS..EExtended strand (participates in β ladder)trans-125.2130.2172.6-174.10000107.5F140 Q141 L230 L232 F236V130-F140 HydrophobicContact CG1-CB 4.44Å; V130-F140 HydrophobicContact CG1-CD2 3.94Å; V130-Q141 WeakPolarHBondContact CA-O 3.03Å; V130-L230 HydrophobicContact CG2-CD1 3.83Å; V130-L232 HydrophobicContact CG1-CD2 4.09Å; V130-F236 HydrophobicContact CB-CE2 4.47Å; V130-F236 HydrophobicContact CG1-CE2 3.99Å; V130-F236 HydrophobicContact CG1-CZ 4.14Å; V130-F236 WeakPolarHBondContact O-CZ 3.36Å
131E88.3Confident82.2Confident96 Ų9658.8 Ų58.845%0.44931%0.306SS..EExtended strand (participates in β ladder)trans-128.9158.1-174.8-66.9175.1-148.900109.5S129 Q141 V143S129-E131 PolarHBondContact OG-OE1 2.85Å; E131-Q141 PolarHBondContact N-O 2.96Å; E131-Q141 PolarHBondContact O-N 3.02Å; E131-V143 HydrophobicContact CB-CG2 4.41Å; E131-V143 HydrophobicContact CG-CG2 4.2Å
132K84.1Confident82.2Confident57 Ų5758.5 Ų58.525%0.24831%0.305CS..EExtended strand (participates in β ladder)trans-84.3132.7-177.9-170.2-175.9170.7-173.20110.2G134 N135 H136 F236K132-G134 VanDerWaalsContact C-N 3.26Å; K132-G134 VanDerWaalsContact CD-O 3.27Å; K132-G134 WeakPolarHBondContact CD-O 3.09Å; K132-G134 WeakPolarHBondContact CE-O 3.42Å; K132-G134 WeakPolarHBondContact CG-O 3.41Å; K132-G134 PolarHBondContact O-N 3.29Å; K132-N135 PolarHBondContact NZ-O 2.86Å; K132-H136 WeakPolarHBondContact CE-O 3.33Å; K132-F236 HydrophobicContact CB-CE1 4.29Å
133A78.6Confident82.1Confident10 Ų1054.3 Ų54.38%0.08329%0.286CS..  trans-71.276.6172.300000111.6Y139 Q141 E198A133-Y139 VanDerWaalsContact CB-CB 3.45Å; A133-Y139 WeakPolarHBondContact CB-O 3.35Å; A133-Q141 HydrophobicContact CB-CG 4.15Å; A133-E198 WeakPolarHBondContact CB-OE1 2.96Å
134G70.5Confident82.2Confident53 Ų5352.2 Ų52.255%0.54628%0.278SS..THydrogen-bonded Turntrans60.4-136.5179.100000113.5K132K132-G134 VanDerWaalsContact C-N 3.26Å; K132-G134 VanDerWaalsContact CD-O 3.27Å; K132-G134 WeakPolarHBondContact CD-O 3.09Å; K132-G134 WeakPolarHBondContact CE-O 3.42Å; K132-G134 WeakPolarHBondContact CG-O 3.41Å; K132-G134 PolarHBondContact O-N 3.29Å
135N64.6Low82.1Confident112 Ų11253.3 Ų53.360%0.59929%0.286SS*.THydrogen-bonded Turntrans-87.1-28-174.5-79.4-30.2000114.3K132K132-N135 PolarHBondContact NZ-O 2.86Å
136H62.7Low82.1Confident134 Ų13450.1 Ų50.162%0.6227%0.266SS*.  trans-73.3154.4-176.7-56.6-84.9000111.5K132K132-H136 WeakPolarHBondContact CE-O 3.33Å
137S68.3Low81.9Confident46 Ų4653.2 Ų53.232%0.32228%0.283SS..SBendtrans-96.2-6.9-179.744.50000113.5C201 C265S137-C201 PolarHBondContact O-SG 2.81Å; S137-C201 VanDerWaalsContact O-SG 3.35Å; S137-C265 PolarHBondContact O-N 2.86Å
138E75.9Confident81Confident122 Ų12254.5 Ų54.557%0.5729%0.289SS*.SBendtrans-81.5-13.4-171.9-59.5-179.316300114.6C201E138-C201 WeakPolarHBondContact O-CB 3.44Å; E138-C201 PolarHBondContact O-N 3.04Å; E138-C201 PolarHBondContact O-SG 2.83Å
139Y84.6Confident80.3Confident100 Ų10060.9 Ų60.939%0.39232%0.318SS..EExtended strand (participates in β ladder)trans-133.4154.2-177-64-94.3000110.9A133 E198 L199 P200A133-Y139 VanDerWaalsContact CB-CB 3.45Å; A133-Y139 WeakPolarHBondContact CB-O 3.35Å; Y139-E198 HydrophobicContact CD1-CG 4.06Å; Y139-E198 HydrophobicContact CG-CG 4.45Å; Y139-L199 WeakPolarHBondContact CA-O 3.42Å; Y139-P200 HydrophobicContact CD1-CB 4.02Å; Y139-P200 HydrophobicContact CE1-CB 3.71Å
140F88.1Confident80Confident0 Ų059.9 Ų59.90%031%0.307CS..EExtended strand (participates in β ladder)trans-137.9153.8168.763.3-80.1000109.5V130 V142 V165 Y167 L199 L211 P264V130-F140 HydrophobicContact CG1-CB 4.44Å; V130-F140 HydrophobicContact CG1-CD2 3.94Å; F140-V142 HydrophobicContact CD2-CG2 4.01Å; F140-V142 HydrophobicContact CE2-CG2 3.74Å; F140-V165 HydrophobicContact CZ-CG1 4.43Å; F140-Y167 HydrophobicContact CE1-CE1 4.15Å; F140-Y167 HydrophobicContact CZ-CE1 4.24Å; F140-Y167 WeakPolarHBondContact CZ-OH 3.07Å; F140-L199 HydrophobicContact CD1-CB 4.37Å; F140-L199 WeakPolarHBondContact CD1-O 3.14Å; F140-L199 HydrophobicContact CD2-CB 4.45Å; F140-L199 HydrophobicContact CE1-CB 3.87Å; F140-L199 HydrophobicContact CE2-CB 3.98Å; F140-L199 HydrophobicContact CE2-CD1 3.79Å; F140-L199 HydrophobicContact CE2-CG 4.48Å; F140-L199 HydrophobicContact CZ-CB 3.67Å; F140-L199 HydrophobicContact CZ-CD1 3.92Å; F140-L199 HydrophobicContact CZ-CG 4.46Å; F140-L199 PolarHBondContact N-O 3.45Å; F140-L199 PolarHBondContact O-N 3.05Å; F140-L211 HydrophobicContact CD2-CD1 4.12Å; F140-L211 HydrophobicContact CE1-CD1 4.45Å; F140-L211 HydrophobicContact CE2-CD1 3.47Å; F140-L211 VanDerWaalsContact CE2-CD1 3.47Å; F140-L211 HydrophobicContact CZ-CD1 3.66Å; F140-L211 HydrophobicContact CZ-CD2 4.04Å; F140-P264 HydrophobicContact CB-CB 3.99Å; F140-P264 HydrophobicContact CB-CG 4.1Å
141Q90.3Very high79.6Confident49 Ų4965.9 Ų65.923%0.22934%0.335CS..EExtended strand (participates in β ladder)trans-109.4124.8177.5-61.9-170.17.700109.2V130 E131 A133 V197 E198V130-Q141 WeakPolarHBondContact CA-O 3.03Å; E131-Q141 PolarHBondContact N-O 2.96Å; E131-Q141 PolarHBondContact O-N 3.02Å; A133-Q141 HydrophobicContact CB-CG 4.15Å; Q141-V197 WeakPolarHBondContact CA-O 3.13Å; Q141-E198 HydrophobicContact CG-CB 4.11Å; Q141-E198 HydrophobicContact CG-CG 4.19Å; Q141-E198 PolarHBondContact NE2-OE1 3.12Å
142V89.3Confident79.2Confident0 Ų062.8 Ų62.80%033%0.326CS..EExtended strand (participates in β ladder)trans-90.5117.4167.3178.90000106.9I128 F140 L144 L163 V197 L199 V213I128-V142 HydrophobicContact CG2-CG1 3.85Å; F140-V142 HydrophobicContact CD2-CG2 4.01Å; F140-V142 HydrophobicContact CE2-CG2 3.74Å; V142-L144 HydrophobicContact CG1-CD1 4.37Å; V142-L163 HydrophobicContact CB-CD2 4.28Å; V142-L163 HydrophobicContact CG1-CD2 4.12Å; V142-V197 PolarHBondContact N-O 3.1Å; V142-V197 PolarHBondContact O-N 2.59Å; V142-L199 HydrophobicContact CG2-CD1 3.84Å; V142-V213 HydrophobicContact CG1-CG1 4.34Å
143V88.4Confident79Confident13 Ų1360.9 Ų60.98%0.07932%0.319CS..EExtended strand (participates in β ladder)trans-97.8124178.8177.30000108.5I128 S129 E131I128-V143 WeakPolarHBondContact CA-O 3.42Å; S129-V143 PolarHBondContact N-O 3.34Å; S129-V143 PolarHBondContact O-N 3.35Å; S129-V143 WeakPolarHBondContact OG-CB 3.39Å; E131-V143 HydrophobicContact CB-CG2 4.41Å; E131-V143 HydrophobicContact CG-CG2 4.2Å
144L87.6Confident78.6Confident0 Ų065.8 Ų65.80%035%0.353CS..EExtended strand (participates in β ladder)trans-113119.8176.6-79.3137.4000108.5H127 I128 V142 L163 F189 S194 Q195H127-L144 WeakPolarHBondContact O-CA 3.48Å; I128-L144 HydrophobicContact CD1-CD2 4.18Å; I128-L144 HydrophobicContact CG1-CD2 3.83Å; V142-L144 HydrophobicContact CG1-CD1 4.37Å; L144-L163 HydrophobicContact CD1-CD1 3.74Å; L144-L163 HydrophobicContact CD1-CD2 3.73Å; L144-L163 HydrophobicContact CD1-CG 4.19Å; L144-L163 HydrophobicContact CD2-CD1 4.39Å; L144-F189 HydrophobicContact CB-CD2 4.26Å; L144-F189 HydrophobicContact CB-CE2 3.43Å; L144-F189 VanDerWaalsContact CB-CE2 3.43Å; L144-F189 HydrophobicContact CB-CZ 3.8Å; L144-F189 HydrophobicContact CD1-CD2 3.82Å; L144-F189 HydrophobicContact CD1-CE2 3.88Å; L144-F189 HydrophobicContact CG-CE2 4.14Å; L144-S194 CarbonylContact O-C 3.55Å; L144-S194 WeakPolarHBondContact O-CA 3.25Å; L144-Q195 PolarHBondContact N-O 2.66Å; L144-Q195 PolarHBondContact O-N 3.04Å
145S85.5Confident78.4Confident33 Ų3371.6 Ų71.623%0.23136%0.358CS..EExtended strand (participates in β ladder)trans-125.1151.5177.7530000111.8H127 R193H127-S145 PolarHBondContact N-O 3.08Å; H127-S145 PolarHBondContact O-N 2.97Å; H127-S145 VanDerWaalsContact O-N 3.09Å; S145-R193 VanDerWaalsContact CA-O 3.29Å; S145-R193 WeakPolarHBondContact CA-O 3.35Å; S145-R193 WeakPolarHBondContact CB-O 3.33Å
146T84.9Confident78Confident10 Ų1069.7 Ų69.76%0.06137%0.365CS..EExtended strand (participates in β ladder)trans-118.9165.2175.952.50000109.8F126 F150 L192 R193F126-T146 HydrophobicContact CD1-CG2 3.57Å; F126-T146 HydrophobicContact CE1-CG2 3.62Å; T146-F150 HydrophobicContact CG2-CD1 4.35Å; T146-L192 PolarHBondContact OG1-O 2.83Å; T146-R193 PolarHBondContact N-O 3.19Å; T146-R193 WeakPolarHBondContact OG1-CA 3.27Å
147N80.1Confident77.7Confident74 Ų7466 Ų6640%0.39635%0.352SS..  trans-54.1144.8178.9-63.5-18.6000111.6T125 H149 F150T125-N147 WeakPolarHBondContact CB-ND2 3.49Å; T125-N147 WeakPolarHBondContact CB-OD1 3.45Å; T125-N147 PolarHBondContact OG1-ND2 2.84Å; N147-H149 PolarHBondContact O-N 2.79Å; N147-F150 VanDerWaalsContact O-CB 3.29Å; N147-F150 WeakPolarHBondContact O-CB 3.5Å; N147-F150 PolarHBondContact O-N 3.3Å
148E66.9Low77.1Confident131 Ų13170.1 Ų70.161%0.61237%0.37SS*.THydrogen-bonded Turntrans-59.3-22.2-169.6-55-154.8104.300115.7R193E148-R193 VanDerWaalsContact CD-NH2 3.35Å; E148-R193 IonicContact OE1-CZ 3.51Å; E148-R193 IonicContact OE1-NH2 3.47Å; E148-R193 PolarHBondContact OE1-NH2 2.8Å
149H71.9Confident76.3Confident177 Ų17765.4 Ų65.482%0.81935%0.351SS*.THydrogen-bonded Turntrans-950.1-179.9-58.889.7000113.4N147 Q151N147-H149 PolarHBondContact O-N 2.79Å; H149-Q151 PolarHBondContact O-N 2.8Å
150F80.5Confident75.5Confident27 Ų2760.9 Ų60.912%0.11833%0.334CS..  trans-75119.3-179.3-179.1-96.5000111.1V33 L35 P124 T146 N147 A152 P191V33-F150 HydrophobicContact CG1-CD2 4.49Å; V33-F150 HydrophobicContact CG1-CE2 4.28Å; L35-F150 HydrophobicContact CB-CZ 4.23Å; P124-F150 HydrophobicContact CB-CD2 3.75Å; P124-F150 HydrophobicContact CB-CE2 3.7Å; P124-F150 HydrophobicContact CB-CZ 4.45Å; P124-F150 HydrophobicContact CG-CD2 4.32Å; P124-F150 HydrophobicContact CG-CE2 3.77Å; P124-F150 HydrophobicContact CG-CZ 4.13Å; T146-F150 HydrophobicContact CG2-CD1 4.35Å; N147-F150 VanDerWaalsContact O-CB 3.29Å; N147-F150 WeakPolarHBondContact O-CB 3.5Å; N147-F150 PolarHBondContact O-N 3.3Å; F150-A152 HydrophobicContact CE1-CB 3.97Å; F150-A152 HydrophobicContact CZ-CB 4.41Å; F150-P191 HydrophobicContact CE1-CB 4.07Å; F150-P191 HydrophobicContact CZ-CB 4.42Å
151Q80.1Confident75.3Confident140 Ų14060.9 Ų60.965%0.65433%0.334SS*.  trans-111.7128.5170.2-64.4-177.4-5.200108.6S36 N37 H149S36-Q151 CarbonylContact C-O 3.55Å; S36-Q151 VanDerWaalsContact CA-O 3.28Å; S36-Q151 WeakPolarHBondContact CA-O 3.45Å; N37-Q151 HydrophobicContact CB-CB 4.18Å; N37-Q151 PolarHBondContact N-O 3.47Å; H149-Q151 PolarHBondContact O-N 2.8Å
152A80.3Confident75Confident31 Ų3162.3 Ų62.326%0.25634%0.339SS..BIsolated β-bridgetrans-83.7148.5-178.800000113.1L35 F150 S154 P191L35-A152 CarbonylContact O-C 3.57Å; L35-A152 WeakPolarHBondContact O-CA 3.25Å; F150-A152 HydrophobicContact CE1-CB 3.97Å; F150-A152 HydrophobicContact CZ-CB 4.41Å; A152-S154 PolarHBondContact O-N 3.34Å; A152-S154 VanDerWaalsContact O-N 3.16Å; A152-P191 HydrophobicContact CB-CB 4.47Å; A152-P191 HydrophobicContact CB-CG 4.04Å; A152-P191 VanDerWaalsContact CB-O 3.24Å; A152-P191 WeakPolarHBondContact CB-O 3.49Å
153C81Confident75Confident17 Ų1762.4 Ų62.412%0.11534%0.34CS..  trans-61.6111.2172.3-172.20000111.2L35 C87 S88 R155L35-C153 PolarHBondContact O-N 2.74Å; C87-C153 HydrophobicContact CB-CB 3.54Å; C87-C153 WeakPolarHBondContact CB-SG 3.25Å; C87-C153 VanDerWaalsContact SG-CA 3.55Å; C87-C153 WeakPolarHBondContact SG-CB 3.19Å; C87-C153 CovalentContact SG-SG 2.03Å; C87-C153 PolarHBondContact SG-SG 2.04Å; S88-C153 PolarHBondContact N-SG 3.47Å; C153-R155 VanDerWaalsContact C-N 3.3Å; C153-R155 PolarHBondContact O-N 2.77Å
154S69Low75Confident113 Ų11362.1 Ų62.179%0.7934%0.338SS*.  trans-77.9-13.7179.8-60.30000113.8A152 G156A152-S154 PolarHBondContact O-N 3.34Å; A152-S154 VanDerWaalsContact O-N 3.16Å; S154-G156 PolarHBondContact O-N 2.78Å
155R66.6Low75.1Confident175 Ų17562.2 Ų62.266%0.6634%0.339SS*.SBendtrans-89.982.3-178.8-73.4-178.1170.5176.4-2.3111.9D86 C153D86-R155 IonicContact OD2-CZ 3.89Å; D86-R155 IonicContact OD2-NH1 3.15Å; D86-R155 PolarHBondContact OD2-NH1 2.9Å; C153-R155 VanDerWaalsContact C-N 3.3Å; C153-R155 PolarHBondContact O-N 2.77Å
156G56.5Low75.2Confident71 Ų7161.1 Ų61.173%0.73233%0.331SS*.SBendtrans110.522.914500000120.4S154S154-G156 PolarHBondContact O-N 2.78Å
157T55.1Low75.3Confident57 Ų5760.7 Ų60.735%0.3533%0.328SS..  trans-135.3116.3166.446.50000114.1L91 S159 A160L91-T157 HydrophobicContact CD1-CG2 4.07Å; L91-T157 HydrophobicContact CD2-CG2 4.12Å; T157-S159 PolarHBondContact O-N 2.88Å; T157-A160 HydrophobicContact CG2-CB 4.35Å
158D55.8Low75.4Confident132 Ų13257.4 Ų57.471%0.70631%0.31SS*.SBendtrans-73.7105.6159.4-97.5-56.4000109.2K190D158-K190 WeakPolarHBondContact OD1-CE 3.4Å; D158-K190 IonicContact OD1-NZ 2.66Å; D158-K190 PolarHBondContact OD1-NZ 2.91Å
159S58.9Low76.1Confident24 Ų2453.4 Ų53.417%0.16829%0.292CS..  trans5474.2178.949.60000114.9T157 L161 P188 F189T157-S159 PolarHBondContact O-N 2.88Å; S159-L161 PolarHBondContact O-N 2.84Å; S159-P188 VanDerWaalsContact CB-CB 3.49Å; S159-P188 VanDerWaalsContact OG-CB 3.24Å; S159-P188 WeakPolarHBondContact OG-CB 3.03Å; S159-F189 VanDerWaalsContact CA-O 3.3Å; S159-F189 WeakPolarHBondContact CA-O 3.34Å; S159-F189 WeakPolarHBondContact CB-O 3.49Å
160A68.2Low76Confident4 Ų448.1 Ų48.13%0.03327%0.265CS..SBendtrans-60.5-6.6172.700000115.2L35 T157 P218L35-A160 HydrophobicContact CD1-CB 4.39Å; L35-A160 HydrophobicContact CD2-CB 3.54Å; T157-A160 HydrophobicContact CG2-CB 4.35Å; A160-P218 WeakPolarHBondContact O-CD 3.49Å
161L83.5Confident75.4Confident0 Ų048.3 Ų48.30%027%0.267CS..EExtended strand (participates in β ladder)trans-137.2152.2-176.8-67178.9000111.1L35 W123 F126 S159 F189 L215 V224L35-L161 HydrophobicContact CD1-CD1 3.7Å; L35-L161 HydrophobicContact CD1-CD2 4.39Å; L35-L161 HydrophobicContact CD1-CG 3.88Å; W123-L161 HydrophobicContact CH2-CD2 4.3Å; W123-L161 HydrophobicContact CZ3-CD2 4.16Å; F126-L161 HydrophobicContact CE1-CD1 4.21Å; F126-L161 HydrophobicContact CE2-CD1 4.33Å; F126-L161 HydrophobicContact CZ-CD1 3.6Å; S159-L161 PolarHBondContact O-N 2.84Å; L161-F189 HydrophobicContact CB-CB 4.42Å; L161-F189 HydrophobicContact CB-CD1 4.04Å; L161-F189 HydrophobicContact CD1-CD1 4.11Å; L161-F189 HydrophobicContact CD1-CE1 4.38Å; L161-F189 PolarHBondContact O-N 2.83Å; L161-L215 HydrophobicContact CB-CD1 4.16Å; L161-L215 HydrophobicContact CD1-CD1 4.33Å; L161-L215 HydrophobicContact CD1-CD2 4.17Å; L161-L215 HydrophobicContact CD1-CG 4.32Å; L161-V224 HydrophobicContact CD2-CG2 3.88Å
162F85.8Confident74.5Confident79 Ų7947.1 Ų47.135%0.34626%0.262SS..EExtended strand (participates in β ladder)trans-120.8130.2174.6-62.4-81.7000110.5K187 P188 R216 P218F162-K187 WeakPolarHBondContact CA-O 3.29Å; F162-P188 HydrophobicContact CD1-CB 4.45Å; F162-P188 HydrophobicContact CE1-CB 4.27Å; F162-R216 PolarHBondContact N-O 2.97Å; F162-R216 PolarHBondContact O-N 3.43Å; F162-P218 HydrophobicContact CE2-CB 4.17Å; F162-P218 HydrophobicContact CE2-CG 4.19Å
163L88.1Confident73.6Confident2 Ų250.3 Ų50.31%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-82.8119167.3-174.367.2000108.6V142 L144 V165 R186 K187 V197 V213V142-L163 HydrophobicContact CB-CD2 4.28Å; V142-L163 HydrophobicContact CG1-CD2 4.12Å; L144-L163 HydrophobicContact CD1-CD1 3.74Å; L144-L163 HydrophobicContact CD1-CD2 3.73Å; L144-L163 HydrophobicContact CD1-CG 4.19Å; L144-L163 HydrophobicContact CD2-CD1 4.39Å; L163-V165 HydrophobicContact CD2-CG2 4.04Å; L163-V165 HydrophobicContact CG-CG2 3.96Å; L163-R186 WeakPolarHBondContact O-CA 3.08Å; L163-K187 PolarHBondContact N-O 2.81Å; L163-K187 PolarHBondContact O-N 2.77Å; L163-V197 HydrophobicContact CD2-CB 4.27Å; L163-V197 HydrophobicContact CD2-CG1 4.42Å; L163-V197 HydrophobicContact CD2-CG2 4.38Å; L163-V213 HydrophobicContact CD1-CG1 3.54Å; L163-V213 HydrophobicContact CG-CG1 4.46Å
164E88.9Confident72.9Confident8 Ų853.2 Ų53.24%0.03731%0.306CS..EExtended strand (participates in β ladder)trans-109.1110.2175.8-177.3164.6-124.400109.9Q184 R186 A214 R216E164-Q184 HydrophobicContact CG-CG 4.08Å; E164-Q184 PolarHBondContact OE1-NE2 2.88Å; E164-Q184 VanDerWaalsContact OE1-NE2 3.12Å; E164-Q184 PolarHBondContact OE1-OE1 3.48Å; E164-Q184 VanDerWaalsContact OE1-OE1 3.06Å; E164-R186 HydrophobicContact CB-CG 4.43Å; E164-R186 HydrophobicContact CG-CG 4.23Å; E164-R186 IonicContact OE1-CZ 2.75Å; E164-R186 IonicContact OE1-NE 3.62Å; E164-R186 PolarHBondContact OE1-NE 2.91Å; E164-R186 IonicContact OE1-NH2 3.14Å; E164-R186 PolarHBondContact OE1-NH2 3.45Å; E164-A214 PolarHBondContact N-O 3.39Å; E164-A214 PolarHBondContact O-N 3.15Å; E164-R216 VanDerWaalsContact OE2-CD 3.27Å; E164-R216 WeakPolarHBondContact OE2-CD 3.28Å; E164-R216 IonicContact OE2-CZ 2.69Å; E164-R216 IonicContact OE2-NE 2.95Å; E164-R216 PolarHBondContact OE2-NE 3.49Å; E164-R216 IonicContact OE2-NH1 3.22Å; E164-R216 PolarHBondContact OE2-NH1 3.03Å
165V89.1Confident72.5Confident2 Ų260.3 Ų60.31%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-106.5108.8178.4-177.80000108.6F140 L163 Y167 Q184 T185 L199 L211 V213F140-V165 HydrophobicContact CZ-CG1 4.43Å; L163-V165 HydrophobicContact CD2-CG2 4.04Å; L163-V165 HydrophobicContact CG-CG2 3.96Å; V165-Y167 HydrophobicContact CG1-CE2 4.03Å; V165-Q184 WeakPolarHBondContact O-CA 3.37Å; V165-T185 PolarHBondContact N-O 3.14Å; V165-T185 PolarHBondContact O-N 2.76Å; V165-L199 HydrophobicContact CB-CD1 4.09Å; V165-L199 HydrophobicContact CG1-CD1 4.16Å; V165-L199 HydrophobicContact CG2-CD1 3.6Å; V165-L211 HydrophobicContact CG1-CD2 3.79Å; V165-V213 HydrophobicContact CG1-CG2 4.25Å; V165-V213 HydrophobicContact CG2-CG1 4.35Å; V165-V213 HydrophobicContact CG2-CG2 4.11Å
166S87.5Confident71.7Confident10 Ų1055 Ų557%0.0731%0.305CS..EExtended strand (participates in β ladder)trans-104.6128.5178.5-550000109.9Q184 R212S166-Q184 PolarHBondContact OG-NE2 2.84Å; S166-R212 PolarHBondContact N-O 3.38Å; S166-R212 PolarHBondContact O-N 2.97Å
167Y86.9Confident72Confident0 Ų055.3 Ų55.30%029%0.293CS..EExtended strand (participates in β ladder)trans-93.9109.2-176.5-63.2-114.4000108F140 V165 R182 A183 P200 A202 F203 F205 L211F140-Y167 HydrophobicContact CE1-CE1 4.15Å; F140-Y167 HydrophobicContact CZ-CE1 4.24Å; F140-Y167 WeakPolarHBondContact CZ-OH 3.07Å; V165-Y167 HydrophobicContact CG1-CE2 4.03Å; Y167-R182 PolarHBondContact O-N 3.33Å; Y167-A183 HydrophobicContact CD2-CB 3.96Å; Y167-A183 HydrophobicContact CG-CB 4.11Å; Y167-A183 PolarHBondContact N-O 2.77Å; Y167-P200 PolarHBondContact OH-O 2.67Å; Y167-A202 HydrophobicContact CD1-CB 4.04Å; Y167-A202 HydrophobicContact CE1-CB 3.91Å; Y167-A202 HydrophobicContact CG-CB 4.44Å; Y167-F203 VanDerWaalsContact CB-CE1 3.48Å; Y167-F203 HydrophobicContact CD1-CE1 4.11Å; Y167-F203 HydrophobicContact CD1-CZ 4.36Å; Y167-F203 HydrophobicContact CG-CE1 4.12Å; Y167-F203 HydrophobicContact CG-CZ 4.44Å; Y167-F205 AromaticContact CD1-CE2 3.75Å; Y167-F205 HydrophobicContact CD1-CE2 3.75Å; Y167-F205 AromaticContact CD1-CZ 3.58Å; Y167-F205 HydrophobicContact CD1-CZ 3.58Å; Y167-F205 HydrophobicContact CE1-CE2 4.14Å; Y167-F205 HydrophobicContact CE1-CZ 4.18Å; Y167-F205 HydrophobicContact CG-CZ 4.5Å; Y167-L211 HydrophobicContact CD1-CD2 3.72Å; Y167-L211 HydrophobicContact CD2-CD2 4.43Å; Y167-L211 HydrophobicContact CE1-CD2 3.8Å; Y167-L211 HydrophobicContact CG-CD2 4.02Å
168M83.1Confident72.5Confident6 Ų656.5 Ų56.53%0.0330%0.296CS..EExtended strand (participates in β ladder)trans-97.7123.7-170.5-51.7-56.4-57.100111.5D179 K180 V181 F210 R212M168-D179 HydrophobicContact CE-CB 3.55Å; M168-K180 WeakPolarHBondContact CA-O 3.17Å; M168-V181 HydrophobicContact CE-CG2 3.83Å; M168-V181 HydrophobicContact SD-CG2 3.79Å; M168-F210 HydrophobicContact CB-CD1 4Å; M168-F210 HydrophobicContact CB-CD2 4.01Å; M168-F210 HydrophobicContact CB-CE1 3.78Å; M168-F210 HydrophobicContact CB-CE2 3.81Å; M168-F210 HydrophobicContact CB-CG 4.11Å; M168-F210 HydrophobicContact CB-CZ 3.69Å; M168-F210 VanDerWaalsContact CB-O 3.3Å; M168-F210 WeakPolarHBondContact CB-O 3.22Å; M168-F210 HydrophobicContact CG-CD2 3.92Å; M168-F210 HydrophobicContact CG-CE1 4.45Å; M168-F210 HydrophobicContact CG-CE2 3.58Å; M168-F210 HydrophobicContact CG-CZ 3.88Å; M168-F210 PolarHBondContact N-O 2.89Å; M168-F210 PolarHBondContact O-N 3.38Å; M168-R212 HydrophobicContact CG-CB 3.79Å; M168-R212 HydrophobicContact SD-CB 4.11Å
169E81.4Confident73.2Confident46 Ų4653 Ų5322%0.21528%0.278CS..EExtended strand (participates in β ladder)trans-94.5117.5172.8-171.3-165148.500110.5N171 K180 R182 D209E169-N171 WeakPolarHBondContact CG-ND2 3.35Å; E169-N171 PolarHBondContact O-N 2.86Å; E169-N171 VanDerWaalsContact O-N 3.11Å; E169-N171 PolarHBondContact O-ND2 2.8Å; E169-N171 PolarHBondContact OE1-ND2 3.4Å; E169-K180 HydrophobicContact CB-CB 4.47Å; E169-K180 PolarHBondContact N-O 3.43Å; E169-K180 PolarHBondContact O-N 3.03Å; E169-K180 VanDerWaalsContact O-N 3.13Å; E169-R182 HydrophobicContact CB-CB 4.28Å; E169-R182 IonicContact OE1-NH2 2.59Å; E169-R182 PolarHBondContact OE1-NH2 2.58Å; E169-R182 IonicContact OE2-CZ 2.74Å; E169-R182 IonicContact OE2-NE 3.88Å; E169-R182 PolarHBondContact OE2-NE 3.28Å; E169-R182 IonicContact OE2-NH2 3.39Å; E169-R182 PolarHBondContact OE2-NH2 2.9Å; E169-D209 WeakPolarHBondContact CA-OD1 3.31Å
170Y69.9Low74.2Confident67 Ų6756.3 Ų56.326%0.26329%0.289SS..EExtended strand (participates in β ladder)trans-81.992.8-173.2-178.6-102.3000112.6Q172 T177 R208 D209Y170-Q172 HydrophobicContact CD1-CG 4.49Å; Y170-Q172 HydrophobicContact CE1-CG 3.65Å; Y170-Q172 PolarHBondContact OH-NE2 3.02Å; Y170-T177 HydrophobicContact CE2-CG2 3.6Å; Y170-T177 VanDerWaalsContact OH-CG2 3.24Å; Y170-T177 WeakPolarHBondContact OH-CG2 3.34Å; Y170-R208 WeakPolarHBondContact CB-O 3.46Å; Y170-R208 HydrophobicContact CD1-CB 3.89Å; Y170-R208 HydrophobicContact CD1-CG 4.42Å; Y170-R208 HydrophobicContact CG-CB 4.29Å; Y170-D209 PolarHBondContact N-OD1 2.87Å; Y170-D209 VanDerWaalsContact N-OD1 3.17Å
171N67.6Low74.9Confident31 Ų3160 Ų6017%0.16631%0.311CS..EExtended strand (participates in β ladder)trans-96.2120.6177.7-77.3-118.3000111.4E169 I178 K180E169-N171 WeakPolarHBondContact CG-ND2 3.35Å; E169-N171 PolarHBondContact O-N 2.86Å; E169-N171 VanDerWaalsContact O-N 3.11Å; E169-N171 PolarHBondContact O-ND2 2.8Å; E169-N171 PolarHBondContact OE1-ND2 3.4Å; N171-I178 WeakPolarHBondContact CB-O 3.11Å; N171-I178 PolarHBondContact O-N 3.07Å; N171-K180 PolarHBondContact OD1-NZ 3.04Å
172Q61.7Low74.8Confident114 Ų11466.1 Ų66.153%0.53333%0.334SS..EExtended strand (participates in β ladder)trans-93.9124.2165-72.2179.7-12.100109.8Y170 T177Y170-Q172 HydrophobicContact CD1-CG 4.49Å; Y170-Q172 HydrophobicContact CE1-CG 3.65Å; Y170-Q172 PolarHBondContact OH-NE2 3.02Å; Q172-T177 HydrophobicContact CG-CG2 4.26Å
173I61.4Low74.6Confident99 Ų9963.7 Ų63.751%0.50833%0.329SS..EExtended strand (participates in β ladder)trans-123.1103.7170.2-60-177.9000107.6R175 S176 I178I173-R175 PolarHBondContact O-N 2.98Å; I173-S176 PolarHBondContact N-O 2.82Å; I173-S176 PolarHBondContact O-N 3.5Å; I173-S176 VanDerWaalsContact O-N 3.12Å; I173-S176 PolarHBondContact O-OG 2.04Å; I173-I178 HydrophobicContact CD1-CD1 4.38Å
174G65Low74.6Confident77 Ų7767.9 Ų67.979%0.79435%0.348SS*.THydrogen-bonded Turntrans63.3-121.1-172.800000111.5
175R62Low74.4Confident262 Ų26269.3 Ų69.399%0.98936%0.357SS*.THydrogen-bonded Turntrans-92.6-7.3173.7-80.1-172.2176.2-176-0.7114.4I173I173-R175 PolarHBondContact O-N 2.98Å
176S48.9Very low74.3Confident64 Ų6476.7 Ų76.745%0.44839%0.385SS..EExtended strand (participates in β ladder)trans-97.4125.5179.845.80000111.9I173I173-S176 PolarHBondContact N-O 2.82Å; I173-S176 PolarHBondContact O-N 3.5Å; I173-S176 VanDerWaalsContact O-N 3.12Å; I173-S176 PolarHBondContact O-OG 2.04Å
177T62.4Low74.2Confident78 Ų7880.3 Ų80.348%0.47940%0.4SS..EExtended strand (participates in β ladder)trans-79.9127.3164.847.80000109.5Y170 Q172Y170-T177 HydrophobicContact CE2-CG2 3.6Å; Y170-T177 VanDerWaalsContact OH-CG2 3.24Å; Y170-T177 WeakPolarHBondContact OH-CG2 3.34Å; Q172-T177 HydrophobicContact CG-CG2 4.26Å
178I65.3Low74Confident82 Ų8283.8 Ų83.842%0.42142%0.422SS..EExtended strand (participates in β ladder)trans-122.992.2175.5-57.5179.6000107N171 I173 K180N171-I178 WeakPolarHBondContact CB-O 3.11Å; N171-I178 PolarHBondContact O-N 3.07Å; I173-I178 HydrophobicContact CD1-CD1 4.38Å; I178-K180 HydrophobicContact CG2-CG 4.48Å; I178-K180 PolarHBondContact O-N 3.14Å
179D72Confident73.8Confident59 Ų5983.5 Ų83.532%0.31642%0.421SS..EExtended strand (participates in β ladder)trans-67.9112.5176-54.3-26.9000108.9M168 F210 R212M168-D179 HydrophobicContact CE-CB 3.55Å; D179-F210 HydrophobicContact CB-CZ 4.33Å; D179-R212 IonicContact OD2-NH2 3.2Å
180K78.7Confident73.6Confident93 Ų9386 Ų8640%0.40443%0.431SS..EExtended strand (participates in β ladder)trans-92.8130.8177.9-65.4176.1-173.7158.10109.7M168 E169 N171 I178 R182M168-K180 WeakPolarHBondContact CA-O 3.17Å; E169-K180 HydrophobicContact CB-CB 4.47Å; E169-K180 PolarHBondContact N-O 3.43Å; E169-K180 PolarHBondContact O-N 3.03Å; E169-K180 VanDerWaalsContact O-N 3.13Å; N171-K180 PolarHBondContact OD1-NZ 3.04Å; I178-K180 HydrophobicContact CG2-CG 4.48Å; I178-K180 PolarHBondContact O-N 3.14Å; K180-R182 PolarHBondContact O-N 2.89Å
181V83.1Confident73.6Confident82 Ų8283.7 Ų83.750%0.49742%0.424SS..EExtended strand (participates in β ladder)trans-70.9107.6164.6-177.30000107.1M168 A183 Q184M168-V181 HydrophobicContact CE-CG2 3.83Å; M168-V181 HydrophobicContact SD-CG2 3.79Å; V181-A183 WeakPolarHBondContact CG1-O 3.38Å; V181-Q184 HydrophobicContact CG1-CB 4.19Å
182R81.1Confident73.8Confident127 Ų12786.3 Ų86.348%0.47944%0.438SS..EExtended strand (participates in β ladder)trans-87.6-33.2178.6-179.1-175-86.5-165.7-5.4111.7Y167 E169 K180 F203Y167-R182 PolarHBondContact O-N 3.33Å; E169-R182 HydrophobicContact CB-CB 4.28Å; E169-R182 IonicContact OE1-NH2 2.59Å; E169-R182 PolarHBondContact OE1-NH2 2.58Å; E169-R182 IonicContact OE2-CZ 2.74Å; E169-R182 IonicContact OE2-NE 3.88Å; E169-R182 PolarHBondContact OE2-NE 3.28Å; E169-R182 IonicContact OE2-NH2 3.39Å; E169-R182 PolarHBondContact OE2-NH2 2.9Å; K180-R182 PolarHBondContact O-N 2.89Å; R182-F203 HydrophobicContact CB-CE1 3.72Å; R182-F203 HydrophobicContact CB-CZ 3.92Å; R182-F203 VanDerWaalsContact CD-CD1 3.48Å; R182-F203 HydrophobicContact CG-CD1 4Å; R182-F203 HydrophobicContact CG-CE1 3.64Å; R182-F203 HydrophobicContact CG-CZ 4.11Å
183A83.1Confident74.5Confident28 Ų2887.6 Ų87.623%0.23144%0.438CS..EExtended strand (participates in β ladder)trans-146.2158171.100000110.1Y167 V181 A202 F203Y167-A183 HydrophobicContact CD2-CB 3.96Å; Y167-A183 HydrophobicContact CG-CB 4.11Å; Y167-A183 PolarHBondContact N-O 2.77Å; V181-A183 WeakPolarHBondContact CG1-O 3.38Å; A183-A202 HydrophobicContact CB-CB 3.79Å; A183-F203 HydrophobicContact CB-CE1 4.21Å
184Q87.9Confident75.4Confident91 Ų9186.4 Ų86.443%0.42544%0.438SS..EExtended strand (participates in β ladder)trans-142135.1174.2-177.3172.483.800109.8E164 V165 S166 V181E164-Q184 HydrophobicContact CG-CG 4.08Å; E164-Q184 PolarHBondContact OE1-NE2 2.88Å; E164-Q184 VanDerWaalsContact OE1-NE2 3.12Å; E164-Q184 PolarHBondContact OE1-OE1 3.48Å; E164-Q184 VanDerWaalsContact OE1-OE1 3.06Å; V165-Q184 WeakPolarHBondContact O-CA 3.37Å; S166-Q184 PolarHBondContact OG-NE2 2.84Å; V181-Q184 HydrophobicContact CG1-CB 4.19Å
185T85.2Confident76.4Confident37 Ų3785.2 Ų85.223%0.22741%0.412CS..EExtended strand (participates in β ladder)trans-124.2131.6175.5-51.40000108.9V165 K187 L199V165-T185 PolarHBondContact N-O 3.14Å; V165-T185 PolarHBondContact O-N 2.76Å; T185-K187 HydrophobicContact CG2-CG 4.33Å; T185-L199 HydrophobicContact CG2-CD2 4Å
186R86.8Confident77.5Confident157 Ų15775.8 Ų75.859%0.59239%0.386SS*.EExtended strand (participates in β ladder)trans-110.6134.5170.9-66.2178.7-180169.61108.9L163 E164L163-R186 WeakPolarHBondContact O-CA 3.08Å; E164-R186 HydrophobicContact CB-CG 4.43Å; E164-R186 HydrophobicContact CG-CG 4.23Å; E164-R186 IonicContact OE1-CZ 2.75Å; E164-R186 IonicContact OE1-NE 3.62Å; E164-R186 PolarHBondContact OE1-NE 2.91Å; E164-R186 IonicContact OE1-NH2 3.14Å; E164-R186 PolarHBondContact OE1-NH2 3.45Å
187K84.9Confident79.4Confident87 Ų8773.4 Ų73.438%0.37837%0.369SS..EExtended strand (participates in β ladder)trans-129.6136.5173.7-67.7-67.4-171173.10109.9F162 L163 T185 V197 L199F162-K187 WeakPolarHBondContact CA-O 3.29Å; L163-K187 PolarHBondContact N-O 2.81Å; L163-K187 PolarHBondContact O-N 2.77Å; T185-K187 HydrophobicContact CG2-CG 4.33Å; K187-V197 HydrophobicContact CB-CG1 4.02Å; K187-V197 HydrophobicContact CG-CG1 3.86Å; K187-L199 HydrophobicContact CG-CD2 3.91Å
188P82.4Confident80.6Confident73 Ų7374.4 Ų74.447%0.47437%0.368SS..EExtended strand (participates in β ladder)trans-63.1134.7170.126.1-32000109.8S159 F162S159-P188 VanDerWaalsContact CB-CB 3.49Å; S159-P188 VanDerWaalsContact OG-CB 3.24Å; S159-P188 WeakPolarHBondContact OG-CB 3.03Å; F162-P188 HydrophobicContact CD1-CB 4.45Å; F162-P188 HydrophobicContact CE1-CB 4.27Å
189F78.3Confident81.6Confident0 Ų070.5 Ų70.50%035%0.348CS..EExtended strand (participates in β ladder)trans-115.8131178.2174.8-107.4000109.4F126 L144 S159 L161 P191 Q195 L215F126-F189 HydrophobicContact CD1-CE1 4.48Å; F126-F189 AromaticContact CE1-CE1 3.93Å; F126-F189 HydrophobicContact CE1-CE1 3.93Å; L144-F189 HydrophobicContact CB-CD2 4.26Å; L144-F189 HydrophobicContact CB-CE2 3.43Å; L144-F189 VanDerWaalsContact CB-CE2 3.43Å; L144-F189 HydrophobicContact CB-CZ 3.8Å; L144-F189 HydrophobicContact CD1-CD2 3.82Å; L144-F189 HydrophobicContact CD1-CE2 3.88Å; L144-F189 HydrophobicContact CG-CE2 4.14Å; S159-F189 VanDerWaalsContact CA-O 3.3Å; S159-F189 WeakPolarHBondContact CA-O 3.34Å; S159-F189 WeakPolarHBondContact CB-O 3.49Å; L161-F189 HydrophobicContact CB-CB 4.42Å; L161-F189 HydrophobicContact CB-CD1 4.04Å; L161-F189 HydrophobicContact CD1-CD1 4.11Å; L161-F189 HydrophobicContact CD1-CE1 4.38Å; L161-F189 PolarHBondContact O-N 2.83Å; F189-P191 HydrophobicContact CE1-CB 4.47Å; F189-Q195 VanDerWaalsContact CD2-OE1 3.32Å; F189-Q195 HydrophobicContact CE2-CB 4.05Å; F189-L215 HydrophobicContact CD1-CD1 4.17Å
190K77.5Confident82.3Confident98 Ų9870.7 Ų70.743%0.42635%0.352SS..  trans-97.9129.8171.4-69-166.3174.5-1680107.9D158 L192 Q195D158-K190 WeakPolarHBondContact OD1-CE 3.4Å; D158-K190 IonicContact OD1-NZ 2.66Å; D158-K190 PolarHBondContact OD1-NZ 2.91Å; K190-L192 VanDerWaalsContact C-N 3.32Å; K190-L192 HydrophobicContact CB-CD1 4.37Å; K190-L192 HydrophobicContact CB-CG 4.31Å; K190-L192 PolarHBondContact O-N 2.91Å; K190-Q195 PolarHBondContact O-OE1 2.93Å
191P69.6Low82.6Confident18 Ų1867.7 Ų67.712%0.11734%0.343CS..  trans-70.587.5-175.829.3-35.2000110.7L35 F150 A152 F189L35-P191 HydrophobicContact CD1-CB 4.37Å; L35-P191 HydrophobicContact CD1-CG 4.4Å; F150-P191 HydrophobicContact CE1-CB 4.07Å; F150-P191 HydrophobicContact CZ-CB 4.42Å; A152-P191 HydrophobicContact CB-CB 4.47Å; A152-P191 HydrophobicContact CB-CG 4.04Å; A152-P191 VanDerWaalsContact CB-O 3.24Å; A152-P191 WeakPolarHBondContact CB-O 3.49Å; F189-P191 HydrophobicContact CE1-CB 4.47Å
192L72Confident82.4Confident87 Ų8766.5 Ų66.546%0.45534%0.342SS..  trans-108.5165.3-179.6-65.5170.6000110.7T146 K190 S194 Q195T146-L192 PolarHBondContact OG1-O 2.83Å; K190-L192 VanDerWaalsContact C-N 3.32Å; K190-L192 HydrophobicContact CB-CD1 4.37Å; K190-L192 HydrophobicContact CB-CG 4.31Å; K190-L192 PolarHBondContact O-N 2.91Å; L192-S194 VanDerWaalsContact C-N 3.27Å; L192-S194 PolarHBondContact O-N 2.7Å; L192-Q195 HydrophobicContact CD1-CB 4.35Å
193R76.5Confident82.3Confident141 Ų14161.6 Ų61.653%0.53232%0.324SS..SBendtrans-59-40.3175.3-177.1171.6171.8175.7-4.9111.8S145 T146 E148S145-R193 VanDerWaalsContact CA-O 3.29Å; S145-R193 WeakPolarHBondContact CA-O 3.35Å; S145-R193 WeakPolarHBondContact CB-O 3.33Å; T146-R193 PolarHBondContact N-O 3.19Å; T146-R193 WeakPolarHBondContact OG1-CA 3.27Å; E148-R193 VanDerWaalsContact CD-NH2 3.35Å; E148-R193 IonicContact OE1-CZ 3.51Å; E148-R193 IonicContact OE1-NH2 3.47Å; E148-R193 PolarHBondContact OE1-NH2 2.8Å
194S80.9Confident82.1Confident73 Ų7364.2 Ų64.251%0.5134%0.338SS..EExtended strand (participates in β ladder)trans-150139.3166.5-1710000109.7L144 L192L144-S194 CarbonylContact O-C 3.55Å; L144-S194 WeakPolarHBondContact O-CA 3.25Å; L192-S194 VanDerWaalsContact C-N 3.27Å; L192-S194 PolarHBondContact O-N 2.7Å
195Q85.4Confident81.5Confident53 Ų5360.6 Ų60.625%0.24832%0.321CS..EExtended strand (participates in β ladder)trans-142127.9169.7-178.4179.615.900108.9L144 F189 K190 L192 V197L144-Q195 PolarHBondContact N-O 2.66Å; L144-Q195 PolarHBondContact O-N 3.04Å; F189-Q195 VanDerWaalsContact CD2-OE1 3.32Å; F189-Q195 HydrophobicContact CE2-CB 4.05Å; K190-Q195 PolarHBondContact O-OE1 2.93Å; L192-Q195 HydrophobicContact CD1-CB 4.35Å; Q195-V197 HydrophobicContact CG-CG2 4.48Å
196S86.5Confident81Confident63 Ų6362.7 Ų62.744%0.44133%0.334SS..EExtended strand (participates in β ladder)trans-86.5141.9164.4570000110.4
197V87.1Confident80.2Confident15 Ų1560.6 Ų60.69%0.09133%0.331CS..EExtended strand (participates in β ladder)trans-122.9112172.1-178.60000107.9Q141 V142 L163 K187 Q195 L199Q141-V197 WeakPolarHBondContact CA-O 3.13Å; V142-V197 PolarHBondContact N-O 3.1Å; V142-V197 PolarHBondContact O-N 2.59Å; L163-V197 HydrophobicContact CD2-CB 4.27Å; L163-V197 HydrophobicContact CD2-CG1 4.42Å; L163-V197 HydrophobicContact CD2-CG2 4.38Å; K187-V197 HydrophobicContact CB-CG1 4.02Å; K187-V197 HydrophobicContact CG-CG1 3.86Å; Q195-V197 HydrophobicContact CG-CG2 4.48Å; V197-L199 HydrophobicContact CG1-CD2 4.16Å; V197-L199 HydrophobicContact CG1-CG 4.34Å
198E88.3Confident79.7Confident98 Ų9863.4 Ų63.446%0.45834%0.339SS..EExtended strand (participates in β ladder)trans-78.6133.9176.9-170.2154.7-111.100111.2A133 Y139 Q141A133-E198 WeakPolarHBondContact CB-OE1 2.96Å; Y139-E198 HydrophobicContact CD1-CG 4.06Å; Y139-E198 HydrophobicContact CG-CG 4.45Å; Q141-E198 HydrophobicContact CG-CB 4.11Å; Q141-E198 HydrophobicContact CG-CG 4.19Å; Q141-E198 PolarHBondContact NE2-OE1 3.12Å
199L86.6Confident79.6Confident1 Ų160.3 Ų60.31%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-134.4131.1-173.8-65.3174.8000110.3Y139 F140 V142 V165 T185 K187 V197Y139-L199 WeakPolarHBondContact CA-O 3.42Å; F140-L199 HydrophobicContact CD1-CB 4.37Å; F140-L199 WeakPolarHBondContact CD1-O 3.14Å; F140-L199 HydrophobicContact CD2-CB 4.45Å; F140-L199 HydrophobicContact CE1-CB 3.87Å; F140-L199 HydrophobicContact CE2-CB 3.98Å; F140-L199 HydrophobicContact CE2-CD1 3.79Å; F140-L199 HydrophobicContact CE2-CG 4.48Å; F140-L199 HydrophobicContact CZ-CB 3.67Å; F140-L199 HydrophobicContact CZ-CD1 3.92Å; F140-L199 HydrophobicContact CZ-CG 4.46Å; F140-L199 PolarHBondContact N-O 3.45Å; F140-L199 PolarHBondContact O-N 3.05Å; V142-L199 HydrophobicContact CG2-CD1 3.84Å; V165-L199 HydrophobicContact CB-CD1 4.09Å; V165-L199 HydrophobicContact CG1-CD1 4.16Å; V165-L199 HydrophobicContact CG2-CD1 3.6Å; T185-L199 HydrophobicContact CG2-CD2 4Å; K187-L199 HydrophobicContact CG-CD2 3.91Å; V197-L199 HydrophobicContact CG1-CD2 4.16Å; V197-L199 HydrophobicContact CG1-CG 4.34Å
200P86.7Confident80Confident63 Ų6360.6 Ų60.641%0.40932%0.32SS..EExtended strand (participates in β ladder)trans-74.7147.3175.630.9-34.5000111.4Y139 Y167 A202Y139-P200 HydrophobicContact CD1-CB 4.02Å; Y139-P200 HydrophobicContact CE1-CB 3.71Å; Y167-P200 PolarHBondContact OH-O 2.67Å; P200-A202 PolarHBondContact O-N 2.72Å; P200-A202 VanDerWaalsContact O-N 3.11Å
201C83.9Confident80.4Confident30 Ų3056 Ų5620%0.20330%0.3CS..  trans-70.6101173.3-65.60000111.3S137 E138 F203 C265S137-C201 PolarHBondContact O-SG 2.81Å; S137-C201 VanDerWaalsContact O-SG 3.35Å; E138-C201 WeakPolarHBondContact O-CB 3.44Å; E138-C201 PolarHBondContact O-N 3.04Å; E138-C201 PolarHBondContact O-SG 2.83Å; C201-F203 PolarHBondContact O-N 2.87Å; C201-F203 VanDerWaalsContact O-N 3.17Å; C201-C265 VanDerWaalsContact CA-SG 3.57Å; C201-C265 HydrophobicContact CB-CB 3.58Å; C201-C265 WeakPolarHBondContact CB-SG 3.48Å; C201-C265 WeakPolarHBondContact SG-CA 3.49Å; C201-C265 WeakPolarHBondContact SG-CB 3.43Å; C201-C265 PolarHBondContact SG-N 2.84Å; C201-C265 CovalentContact SG-SG 2.03Å; C201-C265 PolarHBondContact SG-SG 3.13Å
202A80.7Confident81.3Confident57 Ų5759.6 Ų59.647%0.47131%0.311SS..SBendtrans-61.4-23.3-179.300000114.6Y167 A183 P200Y167-A202 HydrophobicContact CD1-CB 4.04Å; Y167-A202 HydrophobicContact CE1-CB 3.91Å; Y167-A202 HydrophobicContact CG-CB 4.44Å; A183-A202 HydrophobicContact CB-CB 3.79Å; P200-A202 PolarHBondContact O-N 2.72Å; P200-A202 VanDerWaalsContact O-N 3.11Å
203F77.4Confident82.1Confident23 Ų2355.6 Ų55.610%0.10129%0.29CS..SBendtrans-164.8161.117451.1-92.9000110.1Y167 R182 A183 C201 F205Y167-F203 VanDerWaalsContact CB-CE1 3.48Å; Y167-F203 HydrophobicContact CD1-CE1 4.11Å; Y167-F203 HydrophobicContact CD1-CZ 4.36Å; Y167-F203 HydrophobicContact CG-CE1 4.12Å; Y167-F203 HydrophobicContact CG-CZ 4.44Å; R182-F203 HydrophobicContact CB-CE1 3.72Å; R182-F203 HydrophobicContact CB-CZ 3.92Å; R182-F203 VanDerWaalsContact CD-CD1 3.48Å; R182-F203 HydrophobicContact CG-CD1 4Å; R182-F203 HydrophobicContact CG-CE1 3.64Å; R182-F203 HydrophobicContact CG-CZ 4.11Å; A183-F203 HydrophobicContact CB-CE1 4.21Å; C201-F203 PolarHBondContact O-N 2.87Å; C201-F203 VanDerWaalsContact O-N 3.17Å; F203-F205 HydrophobicContact CD2-CD2 4.42Å; F203-F205 HydrophobicContact CE2-CD2 4.32Å; F203-F205 HydrophobicContact CE2-CE2 4.3Å; F203-F205 WeakPolarHBondContact O-CD2 3.38Å; F203-F205 PolarHBondContact O-N 3Å
204P78.6Confident82.6Confident83 Ų8349.1 Ų49.154%0.53927%0.267SS..PPolyproline II helixtrans-67.7125.6170.627.2-34.3000111.4C265 H267P204-C265 CarbonylContact C-O 3.58Å; P204-C265 VanDerWaalsContact CA-O 3.28Å; P204-C265 WeakPolarHBondContact CA-O 3.38Å; P204-H267 HydrophobicContact CB-CB 4.29Å
205F76.3Confident82.9Confident15 Ų1545.6 Ų45.67%0.06624%0.243CC..PPolyproline II helixtrans-78.7140.3179.3-81.6-116.7000111.7Y167 F203 D209 L211 L232 C265Y167-F205 AromaticContact CD1-CE2 3.75Å; Y167-F205 HydrophobicContact CD1-CE2 3.75Å; Y167-F205 AromaticContact CD1-CZ 3.58Å; Y167-F205 HydrophobicContact CD1-CZ 3.58Å; Y167-F205 HydrophobicContact CE1-CE2 4.14Å; Y167-F205 HydrophobicContact CE1-CZ 4.18Å; Y167-F205 HydrophobicContact CG-CZ 4.5Å; F203-F205 HydrophobicContact CD2-CD2 4.42Å; F203-F205 HydrophobicContact CE2-CD2 4.32Å; F203-F205 HydrophobicContact CE2-CE2 4.3Å; F203-F205 WeakPolarHBondContact O-CD2 3.38Å; F203-F205 PolarHBondContact O-N 3Å; F205-D209 HydrophobicContact CB-CB 4.46Å; F205-D209 HydrophobicContact CD1-CB 3.63Å; F205-D209 HydrophobicContact CE1-CB 4.25Å; F205-D209 HydrophobicContact CG-CB 4.31Å; F205-L211 HydrophobicContact CE1-CD2 4.27Å; F205-L211 HydrophobicContact CE1-CG 4.1Å; F205-L211 HydrophobicContact CZ-CD2 3.65Å; F205-L211 HydrophobicContact CZ-CG 3.91Å; F205-L232 HydrophobicContact CD1-CD1 4.17Å; F205-L232 HydrophobicContact CD2-CD1 4.3Å; F205-L232 HydrophobicContact CE1-CD1 4.14Å; F205-L232 HydrophobicContact CE2-CD1 4.25Å; F205-L232 HydrophobicContact CG-CD1 4.27Å; F205-L232 HydrophobicContact CZ-CD1 4.17Å; F205-C265 HydrophobicContact CD2-CB 3.43Å; F205-C265 VanDerWaalsContact CD2-CB 3.43Å; F205-C265 HydrophobicContact CE2-CB 3.87Å; F205-C265 HydrophobicContact CG-CB 4.33Å; F205-C265 PolarHBondContact N-O 3.35Å
206T73.8Confident83Confident82 Ų8247.7 Ų47.750%0.50325%0.248SC..PPolyproline II helixtrans-86.7169.6163.374.50000111R208 D209T206-R208 PolarHBondContact O-N 3.34Å; T206-R208 PolarHBondContact OG1-N 3.03Å; T206-D209 VanDerWaalsContact CB-OD2 3.29Å; T206-D209 WeakPolarHBondContact CB-OD2 3.44Å; T206-D209 WeakPolarHBondContact CG2-OD2 3.42Å; T206-D209 PolarHBondContact N-OD2 2.92Å; T206-D209 PolarHBondContact O-N 3.43Å; T206-D209 VanDerWaalsContact OG1-CG 3.22Å; T206-D209 PolarHBondContact OG1-OD2 2.84Å
207E70.4Confident82.9Confident112 Ų11245.1 Ų45.152%0.52323%0.23SC..THydrogen-bonded Turntrans-56.9-21.1178.2-64-174.9156.600114.5S233E207-S233 PolarHBondContact O-OG 3.14Å
208R74.3Confident82.6Confident147 Ų14748.1 Ų48.156%0.55525%0.25SC*.THydrogen-bonded Turntrans-99.5-17.2-174.7-57.7-175.3-177.3-168.5-1114Y170 T206Y170-R208 WeakPolarHBondContact CB-O 3.46Å; Y170-R208 HydrophobicContact CD1-CB 3.89Å; Y170-R208 HydrophobicContact CD1-CG 4.42Å; Y170-R208 HydrophobicContact CG-CB 4.29Å; T206-R208 PolarHBondContact O-N 3.34Å; T206-R208 PolarHBondContact OG1-N 3.03Å
209D81.3Confident81.9Confident7 Ų747.7 Ų47.74%0.03725%0.248CC..  trans-76.6151.4-178.1-59.5-44.4000110.7E169 Y170 F205 T206E169-D209 WeakPolarHBondContact CA-OD1 3.31Å; Y170-D209 PolarHBondContact N-OD1 2.87Å; Y170-D209 VanDerWaalsContact N-OD1 3.17Å; F205-D209 HydrophobicContact CB-CB 4.46Å; F205-D209 HydrophobicContact CD1-CB 3.63Å; F205-D209 HydrophobicContact CE1-CB 4.25Å; F205-D209 HydrophobicContact CG-CB 4.31Å; T206-D209 VanDerWaalsContact CB-OD2 3.29Å; T206-D209 WeakPolarHBondContact CB-OD2 3.44Å; T206-D209 WeakPolarHBondContact CG2-OD2 3.42Å; T206-D209 PolarHBondContact N-OD2 2.92Å; T206-D209 PolarHBondContact O-N 3.43Å; T206-D209 VanDerWaalsContact OG1-CG 3.22Å; T206-D209 PolarHBondContact OG1-OD2 2.84Å
210F85.3Confident81.3Confident7 Ų749 Ų493%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-145.6149.9-175.363.6-83.1000112.7M168 D179 P229 Y231M168-F210 HydrophobicContact CB-CD1 4Å; M168-F210 HydrophobicContact CB-CD2 4.01Å; M168-F210 HydrophobicContact CB-CE1 3.78Å; M168-F210 HydrophobicContact CB-CE2 3.81Å; M168-F210 HydrophobicContact CB-CG 4.11Å; M168-F210 HydrophobicContact CB-CZ 3.69Å; M168-F210 VanDerWaalsContact CB-O 3.3Å; M168-F210 WeakPolarHBondContact CB-O 3.22Å; M168-F210 HydrophobicContact CG-CD2 3.92Å; M168-F210 HydrophobicContact CG-CE1 4.45Å; M168-F210 HydrophobicContact CG-CE2 3.58Å; M168-F210 HydrophobicContact CG-CZ 3.88Å; M168-F210 PolarHBondContact N-O 2.89Å; M168-F210 PolarHBondContact O-N 3.38Å; D179-F210 HydrophobicContact CB-CZ 4.33Å; F210-P229 HydrophobicContact CD2-CB 3.53Å; F210-P229 HydrophobicContact CE2-CB 3.75Å; F210-P229 HydrophobicContact CG-CB 4.28Å; F210-Y231 HydrophobicContact CB-CD1 3.76Å; F210-Y231 HydrophobicContact CB-CE1 3.73Å; F210-Y231 HydrophobicContact CB-CG 4.19Å; F210-Y231 AromaticContact CD1-CE1 3.93Å; F210-Y231 HydrophobicContact CD1-CE1 3.93Å; F210-Y231 HydrophobicContact CG-CE1 4.09Å
211L87.8Confident80.5Confident0 Ų053.3 Ų53.30%028%0.281CS..EExtended strand (participates in β ladder)trans-82.5134.5169-69.5170.8000109.1F140 V165 Y167 F205 V213 L230 L232F140-L211 HydrophobicContact CD2-CD1 4.12Å; F140-L211 HydrophobicContact CE1-CD1 4.45Å; F140-L211 HydrophobicContact CE2-CD1 3.47Å; F140-L211 VanDerWaalsContact CE2-CD1 3.47Å; F140-L211 HydrophobicContact CZ-CD1 3.66Å; F140-L211 HydrophobicContact CZ-CD2 4.04Å; V165-L211 HydrophobicContact CG1-CD2 3.79Å; Y167-L211 HydrophobicContact CD1-CD2 3.72Å; Y167-L211 HydrophobicContact CD2-CD2 4.43Å; Y167-L211 HydrophobicContact CE1-CD2 3.8Å; Y167-L211 HydrophobicContact CG-CD2 4.02Å; F205-L211 HydrophobicContact CE1-CD2 4.27Å; F205-L211 HydrophobicContact CE1-CG 4.1Å; F205-L211 HydrophobicContact CZ-CD2 3.65Å; F205-L211 HydrophobicContact CZ-CG 3.91Å; L211-V213 HydrophobicContact CB-CG2 4.41Å; L211-L230 HydrophobicContact CB-CB 4.24Å; L211-L230 PolarHBondContact N-O 3Å; L211-L230 PolarHBondContact O-N 2.95Å; L211-L232 HydrophobicContact CD1-CD1 4.11Å; L211-L232 HydrophobicContact CD1-CD2 3.91Å; L211-L232 HydrophobicContact CD1-CG 4.11Å
212R88.1Confident79.8Confident94 Ų9458.7 Ų58.736%0.35530%0.303SS..EExtended strand (participates in β ladder)trans-107.5105.3166.5-173.4-174.2-67.8-143.6-0.2107.4S166 M168 D179 P227S166-R212 PolarHBondContact N-O 3.38Å; S166-R212 PolarHBondContact O-N 2.97Å; M168-R212 HydrophobicContact CG-CB 3.79Å; M168-R212 HydrophobicContact SD-CB 4.11Å; D179-R212 IonicContact OD2-NH2 3.2Å; R212-P227 HydrophobicContact CG-CB 3.54Å; R212-P227 HydrophobicContact CG-CG 4.36Å
213V88.9Confident79.5Confident3 Ų358.9 Ų58.92%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-101.7115.8179.9179.70000108.8I128 V142 L163 V165 L211 P227 L230I128-V213 HydrophobicContact CD1-CG1 4.27Å; I128-V213 HydrophobicContact CG2-CG1 4.15Å; V142-V213 HydrophobicContact CG1-CG1 4.34Å; L163-V213 HydrophobicContact CD1-CG1 3.54Å; L163-V213 HydrophobicContact CG-CG1 4.46Å; V165-V213 HydrophobicContact CG1-CG2 4.25Å; V165-V213 HydrophobicContact CG2-CG1 4.35Å; V165-V213 HydrophobicContact CG2-CG2 4.11Å; L211-V213 HydrophobicContact CB-CG2 4.41Å; V213-P227 WeakPolarHBondContact O-CA 3.45Å; V213-L230 HydrophobicContact CB-CD1 4.18Å; V213-L230 HydrophobicContact CG2-CD1 3.81Å
214A87.1Confident79.5Confident5 Ų558.5 Ų58.54%0.04129%0.294CS..EExtended strand (participates in β ladder)trans-115.3145175.300000110.3E164 P227E164-A214 PolarHBondContact N-O 3.39Å; E164-A214 PolarHBondContact O-N 3.15Å; A214-P227 HydrophobicContact CB-CB 4.19Å
215L87.3Confident79.5Confident0 Ų057.7 Ų57.70%028%0.281CS..EExtended strand (participates in β ladder)trans-107126.2168.8-17262.9000107.8F126 L161 F189 V224F126-L215 HydrophobicContact CB-CD2 4.27Å; F126-L215 HydrophobicContact CD1-CD2 3.76Å; F126-L215 HydrophobicContact CD2-CD2 3.56Å; F126-L215 HydrophobicContact CE1-CD2 3.91Å; F126-L215 HydrophobicContact CE2-CD2 3.7Å; F126-L215 HydrophobicContact CG-CD2 3.58Å; F126-L215 HydrophobicContact CZ-CD2 3.86Å; L161-L215 HydrophobicContact CB-CD1 4.16Å; L161-L215 HydrophobicContact CD1-CD1 4.33Å; L161-L215 HydrophobicContact CD1-CD2 4.17Å; L161-L215 HydrophobicContact CD1-CG 4.32Å; F189-L215 HydrophobicContact CD1-CD1 4.17Å; L215-V224 HydrophobicContact CB-CB 4.23Å; L215-V224 HydrophobicContact CD2-CB 4.34Å; L215-V224 HydrophobicContact CD2-CG1 3.88Å; L215-V224 HydrophobicContact CG-CB 4.1Å; L215-V224 HydrophobicContact CG-CG1 4.16Å; L215-V224 WeakPolarHBondContact O-CB 3.15Å; L215-V224 PolarHBondContact O-N 3.42Å
216R86.7Confident79.1Confident96 Ų9661.3 Ų61.336%0.36231%0.309SS..EExtended strand (participates in β ladder)trans-131.4145.3-174.9-71.2178.9168.9-165.5-14.9110.6F162 E164 E223F162-R216 PolarHBondContact N-O 2.97Å; F162-R216 PolarHBondContact O-N 3.43Å; E164-R216 VanDerWaalsContact OE2-CD 3.27Å; E164-R216 WeakPolarHBondContact OE2-CD 3.28Å; E164-R216 IonicContact OE2-CZ 2.69Å; E164-R216 IonicContact OE2-NE 2.95Å; E164-R216 PolarHBondContact OE2-NE 3.49Å; E164-R216 IonicContact OE2-NH1 3.22Å; E164-R216 PolarHBondContact OE2-NH1 3.03Å; R216-E223 HydrophobicContact CG-CG 4.35Å; R216-E223 IonicContact CZ-OE1 2.79Å; R216-E223 IonicContact NE-OE1 3.49Å; R216-E223 PolarHBondContact NE-OE1 3.01Å; R216-E223 IonicContact NH2-OE1 3.3Å; R216-E223 PolarHBondContact NH2-OE1 2.96Å
217S84.3Confident79.3Confident10 Ų1059 Ų597%0.0730%0.295CS..  trans-99.6156.1170.496.20000109.8H219 T220S217-H219 PolarHBondContact OG-N 2.78Å; S217-H219 VanDerWaalsContact OG-N 3.07Å; S217-T220 PolarHBondContact OG-N 3.05Å; S217-T220 PolarHBondContact OG-OG1 2.93Å
218P80.4Confident79.6Confident77 Ų7757.2 Ų57.250%0.529%0.292SS..SBendtrans-77.6-9.3169.533-33.3000112.7A160 F162A160-P218 WeakPolarHBondContact O-CD 3.49Å; F162-P218 HydrophobicContact CE2-CB 4.17Å; F162-P218 HydrophobicContact CE2-CG 4.19Å
219H74.9Confident80.1Confident90 Ų9053.4 Ų53.442%0.41729%0.286SS..SBendtrans-99.3-13.7-174.7-55.5-59.5000113.4Y92 S217Y92-H219 HydrophobicContact CD1-CB 3.75Å; Y92-H219 HydrophobicContact CE1-CB 4.46Å; Y92-H219 HydrophobicContact CG-CB 4.15Å; S217-H219 PolarHBondContact OG-N 2.78Å; S217-H219 VanDerWaalsContact OG-N 3.07Å
220T73.9Confident80.2Confident27 Ų2754.5 Ų54.517%0.16629%0.292CS..  trans-132.1132.7-177.559.10000111.2Y92 W123 S217 Q222Y92-T220 HydrophobicContact CD2-CG2 3.81Å; Y92-T220 HydrophobicContact CG-CG2 3.96Å; W123-T220 HydrophobicContact CZ2-CG2 4.09Å; S217-T220 PolarHBondContact OG-N 3.05Å; S217-T220 PolarHBondContact OG-OG1 2.93Å; T220-Q222 PolarHBondContact O-N 2.6Å; T220-Q222 PolarHBondContact OG1-O 3.42Å; T220-Q222 VanDerWaalsContact OG1-O 3.08Å
221V68.5Low80.1Confident155 Ų15556.6 Ų56.694%0.93930%0.3SS*.SBendtrans-70.1-26.7170.6-176.50000111
222Q69.4Low79.9Confident142 Ų14256.7 Ų56.766%0.66430%0.3SS*.SBendtrans-71.6139.5174.4-163.6178.747.300111.6T220T220-Q222 PolarHBondContact O-N 2.6Å; T220-Q222 PolarHBondContact OG1-O 3.42Å; T220-Q222 VanDerWaalsContact OG1-O 3.08Å
223E74.1Confident79.3Confident62 Ų6254.1 Ų54.129%0.2930%0.296SS..  trans-73.6132.8178.8-54.2-172.3125.400111R216 K225 P227R216-E223 HydrophobicContact CG-CG 4.35Å; R216-E223 IonicContact CZ-OE1 2.79Å; R216-E223 IonicContact NE-OE1 3.49Å; R216-E223 PolarHBondContact NE-OE1 3.01Å; R216-E223 IonicContact NH2-OE1 3.3Å; R216-E223 PolarHBondContact NH2-OE1 2.96Å; E223-K225 VanDerWaalsContact C-N 3.27Å; E223-K225 PolarHBondContact O-N 3.08Å; E223-P227 WeakPolarHBondContact OE2-CD 3.47Å
224V77.3Confident79Confident15 Ų1563 Ų639%0.09133%0.33CS..SBendtrans-65.7-33.9-175.3176.90000111.6W123 F126 L161 L215W123-V224 HydrophobicContact CB-CG1 4.19Å; W123-V224 HydrophobicContact CD2-CB 4.36Å; W123-V224 HydrophobicContact CD2-CG1 3.65Å; W123-V224 HydrophobicContact CD2-CG2 4.18Å; W123-V224 HydrophobicContact CE3-CG1 3.94Å; W123-V224 HydrophobicContact CE3-CG2 4.46Å; W123-V224 HydrophobicContact CG-CG1 3.76Å; W123-V224 HydrophobicContact CH2-CG2 4Å; W123-V224 HydrophobicContact CZ2-CG2 3.69Å; W123-V224 HydrophobicContact CZ3-CG2 4.38Å; F126-V224 HydrophobicContact CD2-CG1 3.85Å; F126-V224 HydrophobicContact CE2-CG1 3.44Å; F126-V224 VanDerWaalsContact CE2-CG1 3.44Å; F126-V224 HydrophobicContact CZ-CG1 4.41Å; L161-V224 HydrophobicContact CD2-CG2 3.88Å; L215-V224 HydrophobicContact CB-CB 4.23Å; L215-V224 HydrophobicContact CD2-CB 4.34Å; L215-V224 HydrophobicContact CD2-CG1 3.88Å; L215-V224 HydrophobicContact CG-CB 4.1Å; L215-V224 HydrophobicContact CG-CG1 4.16Å; L215-V224 WeakPolarHBondContact O-CB 3.15Å; L215-V224 PolarHBondContact O-N 3.42Å
225K79.1Confident78.8Confident65 Ų6566.2 Ų66.228%0.28335%0.346SS..EExtended strand (participates in β ladder)trans-142.4134.4170.2-175.8171.7179179.70108.8F126 I128 E223F126-K225 HydrophobicContact CB-CD 4.34Å; F126-K225 PolarHBondContact O-NZ 2.9Å; I128-K225 HydrophobicContact CD1-CD 4.03Å; I128-K225 HydrophobicContact CG1-CD 4.35Å; E223-K225 VanDerWaalsContact C-N 3.27Å; E223-K225 PolarHBondContact O-N 3.08Å
226S69.4Low78.7Confident91 Ų9168.1 Ų68.164%0.63635%0.354SS*.EExtended strand (participates in β ladder)trans-61135.5-179.550.80000111.6V228S226-V228 PolarHBondContact O-N 3.44Å
227P77.4Confident78.5Confident34 Ų3468 Ų6822%0.22137%0.368CS..EExtended strand (participates in β ladder)trans-70.7115.9-175.623-31.9000112.2R212 V213 A214 E223R212-P227 HydrophobicContact CG-CB 3.54Å; R212-P227 HydrophobicContact CG-CG 4.36Å; V213-P227 WeakPolarHBondContact O-CA 3.45Å; A214-P227 HydrophobicContact CB-CB 4.19Å; E223-P227 WeakPolarHBondContact OE2-CD 3.47Å
228V76.6Confident78.6Confident75 Ų7569.1 Ų69.146%0.45537%0.371SS..EExtended strand (participates in β ladder)trans-85.5135.1173.8-179.10000109.4S226 L230S226-V228 PolarHBondContact O-N 3.44Å; V228-L230 HydrophobicContact CG1-CD2 4.16Å; V228-L230 PolarHBondContact O-N 2.71Å
229P83.3Confident79Confident66 Ų6671.3 Ų71.343%0.42937%0.372SS..EExtended strand (participates in β ladder)trans-75115.1172.429.7-33.4000110.8F210 Y231F210-P229 HydrophobicContact CD2-CB 3.53Å; F210-P229 HydrophobicContact CE2-CB 3.75Å; F210-P229 HydrophobicContact CG-CB 4.28Å; P229-Y231 HydrophobicContact CB-CE2 4.15Å
230L84.1Confident79.8Confident30 Ų3067.2 Ų67.216%0.15735%0.353CS..EExtended strand (participates in β ladder)trans-105.4101.9-175.8-63.8172.7000110.2V130 L211 V213 V228 L232 I235V130-L230 HydrophobicContact CG2-CD1 3.83Å; L211-L230 HydrophobicContact CB-CB 4.24Å; L211-L230 PolarHBondContact N-O 3Å; L211-L230 PolarHBondContact O-N 2.95Å; V213-L230 HydrophobicContact CB-CD1 4.18Å; V213-L230 HydrophobicContact CG2-CD1 3.81Å; V228-L230 HydrophobicContact CG1-CD2 4.16Å; V228-L230 PolarHBondContact O-N 2.71Å; L230-L232 PolarHBondContact O-N 3.48Å; L230-I235 HydrophobicContact CB-CD1 3.92Å; L230-I235 HydrophobicContact CD2-CD1 4.04Å
231Y84.4Confident80.6Confident52 Ų5268.3 Ų68.320%0.20436%0.36CS..  trans-83.1105175.8-63.1-86.3000110F210 P229 S233 R234 I235F210-Y231 HydrophobicContact CB-CD1 3.76Å; F210-Y231 HydrophobicContact CB-CE1 3.73Å; F210-Y231 HydrophobicContact CB-CG 4.19Å; F210-Y231 AromaticContact CD1-CE1 3.93Å; F210-Y231 HydrophobicContact CD1-CE1 3.93Å; F210-Y231 HydrophobicContact CG-CE1 4.09Å; P229-Y231 HydrophobicContact CB-CE2 4.15Å; Y231-S233 PolarHBondContact O-N 3.01Å; Y231-R234 PolarHBondContact O-N 3.43Å; Y231-I235 WeakPolarHBondContact O-CG1 3.29Å; Y231-I235 PolarHBondContact O-N 3.39Å; Y231-I235 VanDerWaalsContact O-N 3.08Å
232L82.1Confident81.8Confident2 Ų261.5 Ų61.51%0.0132%0.319CS..Hα-helixtrans-55.8-36.2179.1-66.7176.5000112.1V130 F205 L211 L230 R234 I235 F236 P264 C265V130-L232 HydrophobicContact CG1-CD2 4.09Å; F205-L232 HydrophobicContact CD1-CD1 4.17Å; F205-L232 HydrophobicContact CD2-CD1 4.3Å; F205-L232 HydrophobicContact CE1-CD1 4.14Å; F205-L232 HydrophobicContact CE2-CD1 4.25Å; F205-L232 HydrophobicContact CG-CD1 4.27Å; F205-L232 HydrophobicContact CZ-CD1 4.17Å; L211-L232 HydrophobicContact CD1-CD1 4.11Å; L211-L232 HydrophobicContact CD1-CD2 3.91Å; L211-L232 HydrophobicContact CD1-CG 4.11Å; L230-L232 PolarHBondContact O-N 3.48Å; L232-R234 PolarHBondContact O-N 2.95Å; L232-I235 PolarHBondContact O-N 3.2Å; L232-F236 HydrophobicContact CD2-CD2 4.23Å; L232-F236 HydrophobicContact CD2-CE2 3.92Å; L232-F236 PolarHBondContact O-N 3.09Å; L232-P264 HydrophobicContact CD2-CG 4.2Å; L232-C265 HydrophobicContact CD1-CB 4.24Å
233S76.8Confident82.9Confident39 Ų3959 Ų5927%0.27331%0.307SS..Hα-helixtrans-64.2-13.3174.7560000115.5E207 Y231 F236E207-S233 PolarHBondContact O-OG 3.14Å; Y231-S233 PolarHBondContact O-N 3.01Å; S233-F236 CarbonylContact C-O 3.58Å
234R81.5Confident83.6Confident190 Ų19061.6 Ų61.672%0.71732%0.323SS*.Hα-helixtrans-109.1-31176.6-59.2-176-173.4175.42.6112.9Y231 L232Y231-R234 PolarHBondContact O-N 3.43Å; L232-R234 PolarHBondContact O-N 2.95Å
235I83.9Confident84.1Confident73 Ų7362.3 Ų62.337%0.37433%0.331SS..Hα-helixtrans-73.3-44.5176.8-63.8165.2000109.7L230 Y231 L232L230-I235 HydrophobicContact CB-CD1 3.92Å; L230-I235 HydrophobicContact CD2-CD1 4.04Å; Y231-I235 WeakPolarHBondContact O-CG1 3.29Å; Y231-I235 PolarHBondContact O-N 3.39Å; Y231-I235 VanDerWaalsContact O-N 3.08Å; L232-I235 PolarHBondContact O-N 3.2Å
236F84.4Confident84.5Confident39 Ų3964.6 Ų64.617%0.17135%0.346CS..SBendtrans-109.7125.5175.9-53.2-81.1000108.8V130 K132 L232 S233 P263 P264V130-F236 HydrophobicContact CB-CE2 4.47Å; V130-F236 HydrophobicContact CG1-CE2 3.99Å; V130-F236 HydrophobicContact CG1-CZ 4.14Å; V130-F236 WeakPolarHBondContact O-CZ 3.36Å; K132-F236 HydrophobicContact CB-CE1 4.29Å; L232-F236 HydrophobicContact CD2-CD2 4.23Å; L232-F236 HydrophobicContact CD2-CE2 3.92Å; L232-F236 PolarHBondContact O-N 3.09Å; S233-F236 CarbonylContact C-O 3.58Å; F236-P263 HydrophobicContact CB-CB 3.9Å; F236-P263 HydrophobicContact CB-CG 4.16Å; F236-P263 WeakPolarHBondContact O-CG 3.35Å; F236-P264 VanDerWaalsContact CD2-CD 3.4Å; F236-P264 HydrophobicContact CD2-CG 3.85Å; F236-P264 HydrophobicContact CE2-CG 3.72Å; F236-P264 HydrophobicContact CZ-CG 4.33Å
237S82.9Confident85.3Confident94 Ų9462.7 Ų62.766%0.65734%0.335SS*.  trans-91.9147.6169.851.20000110.6
238Y85.5Confident85.8Confident34 Ų3462.2 Ų62.213%0.13333%0.329CS..  trans-63.6134.4168.6-66.7-86.8000109.6M260 I261 P263 F322 P330 A331Y238-M260 HydrophobicContact CD1-CE 3.68Å; Y238-M260 HydrophobicContact CG-CE 4.11Å; Y238-I261 CarbonylContact C-O 3.51Å; Y238-I261 WeakPolarHBondContact CA-O 3.47Å; Y238-P263 VanDerWaalsContact CD1-CD 3.49Å; Y238-P263 HydrophobicContact CD2-CG 4.39Å; Y238-P263 HydrophobicContact CE1-CG 4.33Å; Y238-P263 HydrophobicContact CE2-CG 4.15Å; Y238-F322 HydrophobicContact CD2-CZ 4.49Å; Y238-F322 HydrophobicContact CE1-CE1 4.5Å; Y238-F322 HydrophobicContact CE1-CZ 4.26Å; Y238-F322 AromaticContact CE2-CZ 3.86Å; Y238-F322 HydrophobicContact CE2-CZ 3.86Å; Y238-F322 AromaticContact CZ-CZ 3.72Å; Y238-P330 HydrophobicContact CD2-CB 3.73Å; Y238-P330 HydrophobicContact CD2-CG 3.94Å; Y238-P330 HydrophobicContact CG-CB 4.15Å; Y238-P330 HydrophobicContact CG-CG 4.06Å; Y238-A331 WeakPolarHBondContact O-CB 3.27Å
239K88.9Confident86.3Confident122 Ų12262.9 Ų62.953%0.5333%0.326SS..EExtended strand (participates in β ladder)trans-141.8125.5-176.4-179.9-177.3177.9-175.10111.2V241 I261K239-V241 HydrophobicContact CD-CG2 4.24Å; K239-V241 HydrophobicContact CG-CG2 4.15Å; K239-I261 HydrophobicContact CB-CB 4.3Å; K239-I261 PolarHBondContact N-O 3.03Å; K239-I261 WeakPolarHBondContact O-CB 3.33Å; K239-I261 PolarHBondContact O-N 2.8Å
240L91.5Very high86.1Confident4 Ų465.6 Ų65.62%0.02134%0.337CS..EExtended strand (participates in β ladder)trans-84.7131.3169.5-73.7167.7000110.1V258 K259 M260 I272 F318 F320 A331 T333L240-V258 HydrophobicContact CD2-CG1 3.98Å; L240-K259 WeakPolarHBondContact CA-O 3.41Å; L240-M260 HydrophobicContact CD2-CB 4.38Å; L240-M260 HydrophobicContact CD2-SD 3.42Å; L240-M260 WeakPolarHBondContact CD2-SD 3.18Å; L240-M260 HydrophobicContact CG-SD 3.82Å; L240-I272 HydrophobicContact CD2-CD1 3.55Å; L240-I272 HydrophobicContact CD2-CG1 3.92Å; L240-F318 HydrophobicContact CD1-CB 4.17Å; L240-F318 WeakPolarHBondContact CD1-O 3.34Å; L240-F320 HydrophobicContact CD1-CB 4.07Å; L240-F320 HydrophobicContact CG-CB 4.42Å; L240-A331 HydrophobicContact CD1-CB 4.33Å; L240-A331 HydrophobicContact CG-CB 3.99Å; L240-T333 HydrophobicContact CB-CG2 3.51Å; L240-T333 WeakPolarHBondContact O-CB 3.29Å
241V92.1Very high86.1Confident50 Ų5065 Ų6530%0.30334%0.339SS..EExtended strand (participates in β ladder)trans-126.5130.3174.7178.50000108K239 K259 I261K239-V241 HydrophobicContact CD-CG2 4.24Å; K239-V241 HydrophobicContact CG-CG2 4.15Å; V241-K259 PolarHBondContact N-O 3.23Å; V241-K259 WeakPolarHBondContact O-CA 3.39Å; V241-K259 PolarHBondContact O-N 2.85Å; V241-I261 HydrophobicContact CG2-CD1 3.63Å; V241-I261 HydrophobicContact CG2-CG1 4.3Å
242V93.1Very high86.2Confident12 Ų1262.9 Ų62.97%0.07333%0.331CS..EExtended strand (participates in β ladder)trans-90.7122.8171.9171.10000107.4A245 Y248 M256 V258 F318 T333 L335V242-A245 HydrophobicContact CB-CB 4.09Å; V242-A245 HydrophobicContact CG1-CB 3.93Å; V242-Y248 HydrophobicContact CG1-CD2 3.89Å; V242-Y248 HydrophobicContact CG1-CE2 3.92Å; V242-M256 HydrophobicContact CB-CE 4.45Å; V242-M256 HydrophobicContact CG1-CE 3.48Å; V242-M256 VanDerWaalsContact CG1-CE 3.48Å; V242-M256 HydrophobicContact CG2-CE 4.13Å; V242-V258 HydrophobicContact CG2-CG1 4.35Å; V242-V258 HydrophobicContact CG2-CG2 4.3Å; V242-F318 HydrophobicContact CG2-CD2 4.28Å; V242-F318 HydrophobicContact CG2-CE2 4.31Å; V242-T333 HydrophobicContact CG2-CG2 4.1Å; V242-L335 HydrophobicContact CB-CD2 4.36Å; V242-L335 HydrophobicContact CG1-CD1 4.11Å; V242-L335 HydrophobicContact CG1-CD2 4.43Å; V242-L335 HydrophobicContact CG2-CD2 3.78Å
243E91.9Very high86.1Confident91 Ų9169 Ų6943%0.42536%0.361SS..THydrogen-bonded Turntrans-64.9146.2175.4-176.9164.9-132.700109.9A245 Y248 T257E243-A245 PolarHBondContact O-N 2.8Å; E243-Y248 WeakPolarHBondContact O-CE2 3.27Å; E243-T257 PolarHBondContact N-O 2.87Å; E243-T257 VanDerWaalsContact N-O 3.14Å
244N88.9Confident86.5Confident115 Ų11569.8 Ų69.862%0.61538%0.376SS*.THydrogen-bonded Turntrans47.732.4177.1-67.1-37.7000115.2N246 A247N244-N246 PolarHBondContact O-N 2.82Å; N244-A247 HydrophobicContact CB-CB 4.41Å; N244-A247 WeakPolarHBondContact O-CB 3.46Å; N244-A247 PolarHBondContact O-N 3.31Å
245A88.4Confident87Confident31 Ų3163.1 Ų63.126%0.25636%0.356SS..THydrogen-bonded Turntrans-56.3-9.6-173.200000116.5V242 E243 K249 L335V242-A245 HydrophobicContact CB-CB 4.09Å; V242-A245 HydrophobicContact CG1-CB 3.93Å; E243-A245 PolarHBondContact O-N 2.8Å; A245-K249 WeakPolarHBondContact O-CE 3.37Å; A245-L335 HydrophobicContact CB-CD1 4.15Å
246N87Confident87.3Confident112 Ų11259.6 Ų59.660%0.59934%0.338SS*.THydrogen-bonded Turntrans-83.9-31.6170.4-71.5-25.3000113N244 K249N244-N246 PolarHBondContact O-N 2.82Å; N246-K249 WeakPolarHBondContact O-CB 3.22Å; N246-K249 PolarHBondContact O-N 2.87Å; N246-K249 PolarHBondContact OD1-NZ 2.88Å
247A86.1Confident87.7Confident51 Ų5158.7 Ų58.742%0.42134%0.336SS..Hα-helixtrans-60.6-48.5175.900000110.7N244 K249 N250 G251N244-A247 HydrophobicContact CB-CB 4.41Å; N244-A247 WeakPolarHBondContact O-CB 3.46Å; N244-A247 PolarHBondContact O-N 3.31Å; A247-K249 PolarHBondContact O-N 2.73Å; A247-K249 VanDerWaalsContact O-N 3.08Å; A247-N250 CarbonylContact O-C 3.57Å; A247-N250 WeakPolarHBondContact O-CA 3.49Å; A247-N250 WeakPolarHBondContact O-CB 3.44Å; A247-N250 PolarHBondContact O-N 3.13Å; A247-G251 PolarHBondContact O-N 2.89Å
248Y88.8Confident88.2Confident24 Ų2454.2 Ų54.29%0.09431%0.305CS..Hα-helixtrans-64.2-16.3-179.7-52.3-52.6000114.6V242 E243 C252 T255 M256 V337 Y338V242-Y248 HydrophobicContact CG1-CD2 3.89Å; V242-Y248 HydrophobicContact CG1-CE2 3.92Å; E243-Y248 WeakPolarHBondContact O-CE2 3.27Å; Y248-C252 HydrophobicContact CD1-CB 4.23Å; Y248-T255 PolarHBondContact OH-O 2.92Å; Y248-M256 HydrophobicContact CD2-CE 3.91Å; Y248-M256 HydrophobicContact CD2-CG 3.93Å; Y248-M256 HydrophobicContact CD2-SD 4.16Å; Y248-M256 HydrophobicContact CE1-CB 4.18Å; Y248-M256 HydrophobicContact CE1-CG 4.27Å; Y248-M256 HydrophobicContact CE2-CB 4.31Å; Y248-M256 HydrophobicContact CE2-CE 4.4Å; Y248-M256 HydrophobicContact CE2-CG 3.63Å; Y248-M256 HydrophobicContact CE2-SD 4.46Å; Y248-M256 HydrophobicContact CG-CE 4.43Å; Y248-M256 HydrophobicContact CG-CG 4.38Å; Y248-M256 HydrophobicContact CG-SD 4.3Å; Y248-M256 WeakPolarHBondContact OH-CA 2.94Å; Y248-V337 CarbonylContact O-C 3.57Å; Y248-V337 WeakPolarHBondContact O-CA 3.14Å; Y248-Y338 PolarHBondContact O-N 2.63Å
249K85.9Confident88.5Confident89 Ų8955.2 Ų55.239%0.38731%0.309SS..Hα-helixtrans-74.9-27.5169.7-61.6170.1-170.6167.10112.4A245 N246 A247 Y338A245-K249 WeakPolarHBondContact O-CE 3.37Å; N246-K249 WeakPolarHBondContact O-CB 3.22Å; N246-K249 PolarHBondContact O-N 2.87Å; N246-K249 PolarHBondContact OD1-NZ 2.88Å; A247-K249 PolarHBondContact O-N 2.73Å; A247-K249 VanDerWaalsContact O-N 3.08Å; K249-Y338 VanDerWaalsContact O-CB 3.26Å; K249-Y338 WeakPolarHBondContact O-CB 3.31Å
250N80.8Confident88.4Confident124 Ų12449.5 Ų49.566%0.66329%0.285SS*.Hα-helixtrans-99-22-178-62.1-8.6000112.2A247 Y338A247-N250 CarbonylContact O-C 3.57Å; A247-N250 WeakPolarHBondContact O-CA 3.49Å; A247-N250 WeakPolarHBondContact O-CB 3.44Å; A247-N250 PolarHBondContact O-N 3.13Å; N250-Y338 WeakPolarHBondContact O-CD1 3.49Å
251G83.2Confident88.3Confident18 Ų1852.3 Ų52.319%0.18630%0.299CS..  trans169.5133.116900000112.6A247 Y338A247-G251 PolarHBondContact O-N 2.89Å; G251-Y338 CarbonylContact C-O 3.46Å; G251-Y338 WeakPolarHBondContact CA-O 3.33Å
252C85.8Confident87.9Confident7 Ų750.3 Ų50.35%0.04729%0.288CS..  trans-97.5118167.5-156.50000109.7Y248 C306 V337 Y338Y248-C252 HydrophobicContact CD1-CB 4.23Å; C252-C306 VanDerWaalsContact CA-SG 3.5Å; C252-C306 HydrophobicContact CB-CB 3.81Å; C252-C306 WeakPolarHBondContact CB-SG 3.48Å; C252-C306 WeakPolarHBondContact SG-CB 3.47Å; C252-C306 CovalentContact SG-SG 2.04Å; C252-C306 PolarHBondContact SG-SG 3.09Å; C252-V337 HydrophobicContact CB-CG1 3.65Å; C252-Y338 PolarHBondContact N-O 3.43Å
253M80.9Confident87.5Confident129 Ų12949.8 Ų49.864%0.63528%0.284SS*.  trans-137.5147169.7-63.9-175.47200108.4C306M253-C306 PolarHBondContact N-SG 2.85Å
254G86.1Confident87.2Confident56 Ų5645.4 Ų45.458%0.57726%0.264SS*.SBendtrans72.3-126.1-171.800000112C306G254-C306 VanDerWaalsContact O-CB 3.25Å; G254-C306 WeakPolarHBondContact O-CB 3.45Å; G254-C306 PolarHBondContact O-N 2.93Å; G254-C306 PolarHBondContact O-SG 2.93Å
255T90.3Very high86.8Confident50 Ų5040.3 Ų40.331%0.30724%0.237SC..EExtended strand (participates in β ladder)trans-115.6169-177.7500000112.9Y248 E303 F304Y248-T255 PolarHBondContact OH-O 2.92Å; T255-E303 WeakPolarHBondContact CB-OE2 3.41Å; T255-E303 HydrophobicContact CG2-CB 4.41Å; T255-E303 WeakPolarHBondContact CG2-OE2 3.1Å; T255-E303 PolarHBondContact OG1-OE2 2.89Å; T255-F304 CarbonylContact C-O 3.6Å
256M91.6Very high86.4Confident0 Ų039.5 Ų39.50%023%0.229CC..EExtended strand (participates in β ladder)trans-132.9106.1-175.6176.9173179.800110.7V242 Y248 F304 F309 F318 L335 V337V242-M256 HydrophobicContact CB-CE 4.45Å; V242-M256 HydrophobicContact CG1-CE 3.48Å; V242-M256 VanDerWaalsContact CG1-CE 3.48Å; V242-M256 HydrophobicContact CG2-CE 4.13Å; Y248-M256 HydrophobicContact CD2-CE 3.91Å; Y248-M256 HydrophobicContact CD2-CG 3.93Å; Y248-M256 HydrophobicContact CD2-SD 4.16Å; Y248-M256 HydrophobicContact CE1-CB 4.18Å; Y248-M256 HydrophobicContact CE1-CG 4.27Å; Y248-M256 HydrophobicContact CE2-CB 4.31Å; Y248-M256 HydrophobicContact CE2-CE 4.4Å; Y248-M256 HydrophobicContact CE2-CG 3.63Å; Y248-M256 HydrophobicContact CE2-SD 4.46Å; Y248-M256 HydrophobicContact CG-CE 4.43Å; Y248-M256 HydrophobicContact CG-CG 4.38Å; Y248-M256 HydrophobicContact CG-SD 4.3Å; Y248-M256 WeakPolarHBondContact OH-CA 2.94Å; M256-F304 HydrophobicContact CB-CB 4.49Å; M256-F304 WeakPolarHBondContact CB-O 3.29Å; M256-F304 PolarHBondContact N-O 2.84Å; M256-F304 PolarHBondContact O-N 2.9Å; M256-F309 HydrophobicContact CB-CE2 4.26Å; M256-F309 HydrophobicContact CB-CZ 4.48Å; M256-F309 HydrophobicContact CG-CZ 4.46Å; M256-F309 HydrophobicContact SD-CE1 4.16Å; M256-F309 HydrophobicContact SD-CE2 3.55Å; M256-F309 VanDerWaalsContact SD-CE2 3.55Å; M256-F309 HydrophobicContact SD-CZ 3.25Å; M256-F309 WeakPolarHBondContact SD-CZ 3.16Å; M256-F318 HydrophobicContact CE-CE2 3.64Å; M256-F318 HydrophobicContact CE-CZ 3.55Å; M256-F318 HydrophobicContact SD-CZ 3.91Å; M256-L335 HydrophobicContact CE-CD1 3.81Å; M256-L335 HydrophobicContact CE-CD2 3.83Å; M256-L335 HydrophobicContact CE-CG 4.25Å; M256-V337 HydrophobicContact CE-CG2 4.04Å; M256-V337 HydrophobicContact SD-CG2 4.12Å
257T92.9Very high85.9Confident20 Ų2038.1 Ų38.112%0.12322%0.219CC..EExtended strand (participates in β ladder)trans-79.5128.7-175.7-40.90000112E243 E301 E303E243-T257 PolarHBondContact N-O 2.87Å; E243-T257 VanDerWaalsContact N-O 3.14Å; T257-E301 HydrophobicContact CG2-CB 4.27Å; T257-E301 HydrophobicContact CG2-CG 4.24Å; T257-E303 HydrophobicContact CG2-CG 4.44Å
258V93.3Very high85.6Confident0 Ų036.2 Ų36.20%020%0.202CC..EExtended strand (participates in β ladder)trans-122.4110.7179.4-171.20000109.3L240 V242 I272 E301 T302 F304 F318L240-V258 HydrophobicContact CD2-CG1 3.98Å; V242-V258 HydrophobicContact CG2-CG1 4.35Å; V242-V258 HydrophobicContact CG2-CG2 4.3Å; V258-I272 HydrophobicContact CB-CD1 4.48Å; V258-I272 HydrophobicContact CG1-CD1 4.11Å; V258-E301 WeakPolarHBondContact O-CA 3.4Å; V258-T302 PolarHBondContact N-O 3.01Å; V258-T302 PolarHBondContact O-N 3.35Å; V258-F304 HydrophobicContact CB-CD2 4.47Å; V258-F304 HydrophobicContact CB-CE2 4.4Å; V258-F304 HydrophobicContact CG2-CD2 3.71Å; V258-F304 HydrophobicContact CG2-CE2 4.01Å; V258-F318 HydrophobicContact CG1-CB 4.49Å; V258-F318 HydrophobicContact CG1-CD1 4.35Å; V258-F318 HydrophobicContact CG1-CG 4.43Å; V258-F318 HydrophobicContact CG2-CD1 3.84Å; V258-F318 HydrophobicContact CG2-CE1 3.69Å; V258-F318 HydrophobicContact CG2-CG 4.44Å; V258-F318 HydrophobicContact CG2-CZ 4.19Å
259K90.9Very high85.3Confident54 Ų5438.3 Ų38.324%0.23522%0.215CC..EExtended strand (participates in β ladder)trans-92.9133.2-177.6-170.1163.6-162.3141.50111.7L240 V241 N300 E301L240-K259 WeakPolarHBondContact CA-O 3.41Å; V241-K259 PolarHBondContact N-O 3.23Å; V241-K259 WeakPolarHBondContact O-CA 3.39Å; V241-K259 PolarHBondContact O-N 2.85Å; K259-N300 CarbonylContact C-O 3.56Å; K259-N300 WeakPolarHBondContact CA-O 3.21Å; K259-E301 HydrophobicContact CB-CG 3.78Å; K259-E301 HydrophobicContact CD-CG 4.19Å; K259-E301 WeakPolarHBondContact CD-OE1 3.08Å; K259-E301 WeakPolarHBondContact CE-OE1 3.42Å; K259-E301 HydrophobicContact CG-CG 3.74Å; K259-E301 IonicContact NZ-OE1 2.79Å; K259-E301 PolarHBondContact NZ-OE1 3.15Å
260M88.2Confident85.3Confident3 Ų334.1 Ų34.12%0.01520%0.196CC..EExtended strand (participates in β ladder)trans-102.3106.5177.3-171.364.1-177.500109.5Y238 L240 S262 V268 L295 N300 F320 A331Y238-M260 HydrophobicContact CD1-CE 3.68Å; Y238-M260 HydrophobicContact CG-CE 4.11Å; L240-M260 HydrophobicContact CD2-CB 4.38Å; L240-M260 HydrophobicContact CD2-SD 3.42Å; L240-M260 WeakPolarHBondContact CD2-SD 3.18Å; L240-M260 HydrophobicContact CG-SD 3.82Å; M260-S262 PolarHBondContact O-N 2.83Å; M260-V268 HydrophobicContact CG-CG1 4.23Å; M260-L295 HydrophobicContact CB-CD1 3.95Å; M260-L295 HydrophobicContact CB-CD2 4.34Å; M260-L295 HydrophobicContact CG-CD1 4.06Å; M260-N300 WeakPolarHBondContact CB-O 3.44Å; M260-N300 PolarHBondContact N-O 2.03Å; M260-F320 HydrophobicContact CE-CB 3.85Å; M260-F320 HydrophobicContact CE-CD1 3.41Å; M260-F320 VanDerWaalsContact CE-CD1 3.41Å; M260-F320 HydrophobicContact CE-CD2 3.89Å; M260-F320 HydrophobicContact CE-CE1 3.86Å; M260-F320 HydrophobicContact CE-CE2 4.29Å; M260-F320 HydrophobicContact CE-CG 3.42Å; M260-F320 VanDerWaalsContact CE-CG 3.42Å; M260-F320 HydrophobicContact CE-CZ 4.28Å; M260-F320 HydrophobicContact SD-CB 4.03Å; M260-F320 HydrophobicContact SD-CD2 4.07Å; M260-F320 HydrophobicContact SD-CG 3.95Å; M260-A331 HydrophobicContact CE-CB 4.03Å; M260-A331 HydrophobicContact SD-CB 4.38Å
261I87.7Confident85.8Confident62 Ų6231.2 Ų31.232%0.31818%0.178SC..EExtended strand (participates in β ladder)trans-85.4107.6170.7-55.9178.3000107.3Y238 K239 V241Y238-I261 CarbonylContact C-O 3.51Å; Y238-I261 WeakPolarHBondContact CA-O 3.47Å; K239-I261 HydrophobicContact CB-CB 4.3Å; K239-I261 PolarHBondContact N-O 3.03Å; K239-I261 WeakPolarHBondContact O-CB 3.33Å; K239-I261 PolarHBondContact O-N 2.8Å; V241-I261 HydrophobicContact CG2-CD1 3.63Å; V241-I261 HydrophobicContact CG2-CG1 4.3Å
262S84.1Confident86.2Confident9 Ų930.3 Ų30.36%0.06317%0.169CC..PPolyproline II helixtrans-95.2162.4171.460.60000112.1M260 T266M260-S262 PolarHBondContact O-N 2.83Å; S262-T266 WeakPolarHBondContact CB-OG1 3.47Å
263P85.7Confident86.5Confident0 Ų031.5 Ų31.50%018%0.175CC..PPolyproline II helixtrans-56.9148.1164.8-2333.9000111.5F236 Y238 T266F236-P263 HydrophobicContact CB-CB 3.9Å; F236-P263 HydrophobicContact CB-CG 4.16Å; F236-P263 WeakPolarHBondContact O-CG 3.35Å; Y238-P263 VanDerWaalsContact CD1-CD 3.49Å; Y238-P263 HydrophobicContact CD2-CG 4.39Å; Y238-P263 HydrophobicContact CE1-CG 4.33Å; Y238-P263 HydrophobicContact CE2-CG 4.15Å; P263-T266 HydrophobicContact CB-CG2 3.79Å; P263-T266 WeakPolarHBondContact CD-OG1 3.24Å; P263-T266 HydrophobicContact CG-CG2 4.2Å; P263-T266 PolarHBondContact O-N 2.94Å; P263-T266 PolarHBondContact O-OG1 3.19Å
264P84.1Confident87Confident0 Ų025.4 Ų25.40%014%0.144CC..THydrogen-bonded Turntrans-58.2151.7171.428.5-34.6000110.3F140 L232 F236 T266F140-P264 HydrophobicContact CB-CB 3.99Å; F140-P264 HydrophobicContact CB-CG 4.1Å; L232-P264 HydrophobicContact CD2-CG 4.2Å; F236-P264 VanDerWaalsContact CD2-CD 3.4Å; F236-P264 HydrophobicContact CD2-CG 3.85Å; F236-P264 HydrophobicContact CE2-CG 3.72Å; F236-P264 HydrophobicContact CZ-CG 4.33Å; P264-T266 PolarHBondContact O-N 2.7Å
265C81.6Confident87.3Confident7 Ų724.1 Ų24.15%0.04712%0.123CC..THydrogen-bonded Turntrans59.617.9-176.6-41.50000115.7S137 C201 P204 F205 L232S137-C265 PolarHBondContact O-N 2.86Å; C201-C265 VanDerWaalsContact CA-SG 3.57Å; C201-C265 HydrophobicContact CB-CB 3.58Å; C201-C265 WeakPolarHBondContact CB-SG 3.48Å; C201-C265 WeakPolarHBondContact SG-CA 3.49Å; C201-C265 WeakPolarHBondContact SG-CB 3.43Å; C201-C265 PolarHBondContact SG-N 2.84Å; C201-C265 CovalentContact SG-SG 2.03Å; C201-C265 PolarHBondContact SG-SG 3.13Å; P204-C265 CarbonylContact C-O 3.58Å; P204-C265 VanDerWaalsContact CA-O 3.28Å; P204-C265 WeakPolarHBondContact CA-O 3.38Å; F205-C265 HydrophobicContact CD2-CB 3.43Å; F205-C265 VanDerWaalsContact CD2-CB 3.43Å; F205-C265 HydrophobicContact CE2-CB 3.87Å; F205-C265 HydrophobicContact CG-CB 4.33Å; F205-C265 PolarHBondContact N-O 3.35Å; L232-C265 HydrophobicContact CD1-CB 4.24Å
266T79.9Confident87.2Confident14 Ų1422.3 Ų22.39%0.08611%0.111CC..  trans-106.8138.2175.161.50000112.4S262 P263 P264S262-T266 WeakPolarHBondContact CB-OG1 3.47Å; P263-T266 HydrophobicContact CB-CG2 3.79Å; P263-T266 WeakPolarHBondContact CD-OG1 3.24Å; P263-T266 HydrophobicContact CG-CG2 4.2Å; P263-T266 PolarHBondContact O-N 2.94Å; P263-T266 PolarHBondContact O-OG1 3.19Å; P264-T266 PolarHBondContact O-N 2.7Å
267H77.4Confident86.7Confident83 Ų8323.3 Ų23.338%0.38412%0.119SC..  trans-86.3114.4174.8-171.8-62.9000110.3P204 N269 Q297P204-H267 HydrophobicContact CB-CB 4.29Å; H267-N269 PolarHBondContact O-N 2.73Å; H267-Q297 VanDerWaalsContact NE2-CG 3.27Å; H267-Q297 WeakPolarHBondContact NE2-CG 3.44Å
268V77.9Confident85.4Confident12 Ų1224.9 Ų24.97%0.07314%0.14CC..  trans-75.9119.8175.1-175.70000108.9M260 L295 F320M260-V268 HydrophobicContact CG-CG1 4.23Å; V268-L295 HydrophobicContact CG1-CB 4.14Å; V268-L295 HydrophobicContact CG1-CD1 3.86Å; V268-L295 HydrophobicContact CG1-CG 4.5Å; V268-F320 HydrophobicContact CG1-CE2 3.91Å; V268-F320 HydrophobicContact CG1-CZ 3.96Å
269N83Confident83.6Confident68 Ų6830.7 Ų30.736%0.36417%0.17SC..  trans-145.499.6175.4-169.8-14.5000108.8H267 N323H267-N269 PolarHBondContact O-N 2.73Å; N269-N323 PolarHBondContact O-N 3.23Å; N269-N323 PolarHBondContact OD1-ND2 3.44Å
270G87.1Confident81.7Confident0 Ų031.4 Ų31.40%019%0.186CC..EExtended strand (participates in β ladder)trans-177.6-176.9-167.400000112.5L295 V321 N323G270-L295 PolarHBondContact O-N 2.7Å; G270-V321 CarbonylContact C-O 3.54Å; G270-V321 WeakPolarHBondContact CA-O 3.46Å; G270-N323 VanDerWaalsContact CA-OD1 3.29Å; G270-N323 WeakPolarHBondContact CA-OD1 3.41Å
271K89.6Confident79.4Confident63 Ų6336.8 Ų36.827%0.27422%0.224SC..EExtended strand (participates in β ladder)trans-128.1145.6174.257.3-178174-177.70112L273 N293 W294 V321K271-L273 HydrophobicContact CD-CD2 3.92Å; K271-L273 HydrophobicContact CG-CD2 3.98Å; K271-N293 CarbonylContact C-O 3.49Å; K271-N293 VanDerWaalsContact CA-O 3.22Å; K271-N293 WeakPolarHBondContact CA-O 3.2Å; K271-N293 VanDerWaalsContact CB-O 3.31Å; K271-N293 WeakPolarHBondContact CB-O 3.47Å; K271-W294 HydrophobicContact CB-CD2 4.07Å; K271-W294 HydrophobicContact CB-CE3 4.01Å; K271-W294 HydrophobicContact CB-CG 4.4Å; K271-W294 HydrophobicContact CD-CD2 4.41Å; K271-W294 HydrophobicContact CD-CE3 4.3Å; K271-W294 HydrophobicContact CD-CH2 4.01Å; K271-W294 HydrophobicContact CD-CZ2 4.07Å; K271-W294 HydrophobicContact CD-CZ3 4.13Å; K271-W294 HydrophobicContact CG-CE3 4.46Å; K271-V321 PolarHBondContact N-O 2.92Å; K271-V321 PolarHBondContact O-N 2.82Å
272I92.1Very high77.2Confident0 Ų036.7 Ų36.70%024%0.238CC..EExtended strand (participates in β ladder)trans-92.3119.8170.3-65.1169.1000107.4L240 V258 S292 N293 L295 T302 F304 F318 F320L240-I272 HydrophobicContact CD2-CD1 3.55Å; L240-I272 HydrophobicContact CD2-CG1 3.92Å; V258-I272 HydrophobicContact CB-CD1 4.48Å; V258-I272 HydrophobicContact CG1-CD1 4.11Å; I272-S292 VanDerWaalsContact O-CA 3.28Å; I272-S292 WeakPolarHBondContact O-CA 3.19Å; I272-N293 PolarHBondContact N-O 3.01Å; I272-N293 PolarHBondContact O-N 3.47Å; I272-N293 VanDerWaalsContact O-N 3.13Å; I272-L295 HydrophobicContact CD1-CD1 3.76Å; I272-L295 HydrophobicContact CD1-CG 4.31Å; I272-L295 HydrophobicContact CG1-CD1 3.92Å; I272-T302 WeakPolarHBondContact CD1-OG1 3.36Å; I272-F304 HydrophobicContact CB-CE2 4.33Å; I272-F304 HydrophobicContact CB-CZ 4.1Å; I272-F304 HydrophobicContact CG2-CE2 3.91Å; I272-F304 HydrophobicContact CG2-CZ 3.79Å; I272-F318 HydrophobicContact CG2-CB 3.97Å; I272-F318 HydrophobicContact CG2-CD1 4.01Å; I272-F320 HydrophobicContact CG1-CD2 4.15Å
273L91.6Very high75Confident32 Ų3243.5 Ų43.517%0.16827%0.269CS..EExtended strand (participates in β ladder)trans-93.4126.7174.6-51.9-177000109.5K271 V289 F318 R319 V321K271-L273 HydrophobicContact CD-CD2 3.92Å; K271-L273 HydrophobicContact CG-CD2 3.98Å; L273-V289 HydrophobicContact CB-CG1 4.33Å; L273-V289 HydrophobicContact CD1-CG2 4.41Å; L273-V289 HydrophobicContact CD2-CG1 4.28Å; L273-F318 CarbonylContact O-C 3.54Å; L273-F318 WeakPolarHBondContact O-CA 3.34Å; L273-R319 PolarHBondContact N-O 2.03Å; L273-R319 PolarHBondContact O-N 3.21Å; L273-V321 HydrophobicContact CD1-CG2 3.76Å; L273-V321 HydrophobicContact CG-CG2 4.18Å
274L93.1Very high73Confident0 Ų053.4 Ų53.40%032%0.315CS..EExtended strand (participates in β ladder)trans-101130.8172165.860.1000110V289 L290 A291 F304 V308 F309 Y316 F318L274-V289 CarbonylContact O-C 3.57Å; L274-L290 HydrophobicContact CG-CB 4.42Å; L274-L290 PolarHBondContact O-N 3.49Å; L274-A291 HydrophobicContact CD2-CB 4.48Å; L274-A291 PolarHBondContact N-O 3.31Å; L274-F304 HydrophobicContact CB-CD1 3.99Å; L274-F304 HydrophobicContact CB-CE1 3.67Å; L274-F304 HydrophobicContact CB-CZ 4.35Å; L274-F304 HydrophobicContact CD2-CD1 3.67Å; L274-F304 HydrophobicContact CD2-CE1 4.24Å; L274-F304 HydrophobicContact CD2-CG 4.3Å; L274-F304 HydrophobicContact CG-CD1 4.49Å; L274-V308 HydrophobicContact CD2-CB 4.43Å; L274-V308 HydrophobicContact CD2-CG1 3.78Å; L274-F309 HydrophobicContact CD1-CE1 3.85Å; L274-F309 HydrophobicContact CD2-CD1 4.27Å; L274-F309 HydrophobicContact CD2-CE1 3.5Å; L274-F309 VanDerWaalsContact CD2-CE1 3.5Å; L274-F309 HydrophobicContact CD2-CZ 3.96Å; L274-F309 HydrophobicContact CG-CE1 4.32Å; L274-Y316 HydrophobicContact CD1-CD1 3.88Å; L274-Y316 HydrophobicContact CD1-CG 4.13Å; L274-F318 HydrophobicContact CB-CD1 4.21Å; L274-F318 HydrophobicContact CB-CE1 4.15Å; L274-F318 HydrophobicContact CD1-CD1 4.22Å; L274-F318 HydrophobicContact CD1-CE1 3.78Å; L274-F318 HydrophobicContact CD1-CE2 4.2Å; L274-F318 HydrophobicContact CD1-CZ 3.77Å; L274-F318 HydrophobicContact CD2-CE1 4.22Å; L274-F318 HydrophobicContact CG-CE1 4.26Å
275Y90.8Very high70.9Confident30 Ų3060.3 Ų60.312%0.11835%0.348CS..EExtended strand (participates in β ladder)trans-143.5155.4175.359.6-79000112.4S287 C317 R319 Q332Y275-S287 WeakPolarHBondContact CD2-OG 3.4Å; Y275-C317 HydrophobicContact CD1-CB 4.27Å; Y275-C317 WeakPolarHBondContact CD1-O 3.44Å; Y275-C317 HydrophobicContact CD2-CB 4.21Å; Y275-C317 HydrophobicContact CE1-CB 3.66Å; Y275-C317 HydrophobicContact CE2-CB 3.64Å; Y275-C317 PolarHBondContact N-O 2.94Å; Y275-C317 PolarHBondContact O-N 3.07Å; Y275-R319 HydrophobicContact CE1-CB 3.85Å; Y275-Q332 VanDerWaalsContact OH-CD 3.31Å; Y275-Q332 PolarHBondContact OH-NE2 2.94Å; Y275-Q332 VanDerWaalsContact OH-NE2 3.14Å
276N88.3Confident69.3Low11 Ų1165.5 Ų65.56%0.05938%0.384CS..EExtended strand (participates in β ladder)trans-81.6119.1174.1-172.65.2000110.2G278 L279 L290 K315 Y316N276-G278 PolarHBondContact OD1-N 3.43Å; N276-L279 HydrophobicContact CB-CD1 4.44Å; N276-L290 HydrophobicContact CB-CD1 4.11Å; N276-K315 PolarHBondContact OD1-O 2.72Å; N276-Y316 HydrophobicContact CB-CD1 4.28Å; N276-Y316 HydrophobicContact CB-CE1 3.88Å
277A82.4Confident68.3Low21 Ų2167.1 Ų67.117%0.17440%0.396CS..G310 helixtrans-87.2-6.9174.700000113.1L279 A280 K315A277-L279 VanDerWaalsContact C-N 3.27Å; A277-L279 PolarHBondContact O-N 2.92Å; A277-A280 PolarHBondContact O-N 3.2Å; A277-K315 HydrophobicContact CB-CB 4.46Å; A277-K315 HydrophobicContact CB-CD 4.03Å; A277-K315 HydrophobicContact CB-CG 4.08Å; A277-K315 WeakPolarHBondContact CB-O 3.43Å; A277-K315 PolarHBondContact N-O 3.13Å
278G65.7Low68.1Low54 Ų5466.7 Ų66.756%0.55740%0.403SS*.G310 helixtrans-72.2-14.2175.600000114.9N276N276-G278 PolarHBondContact OD1-N 3.43Å
279L55.3Low68.4Low121 Ų12169.8 Ų69.863%0.63442%0.421SS*.G310 helixtrans-91.9-8.9176.5-72.9164000113.4N276 A277 S281N276-L279 HydrophobicContact CB-CD1 4.44Å; A277-L279 VanDerWaalsContact C-N 3.27Å; A277-L279 PolarHBondContact O-N 2.92Å; L279-S281 VanDerWaalsContact C-N 3.31Å; L279-S281 PolarHBondContact O-N 2.74Å; L279-S281 VanDerWaalsContact O-N 3.1Å
280A49.6Very low68.7Low70 Ų7068.7 Ų68.758%0.57942%0.415SS*.  trans-88.558-174.300000112.5A277 G282A277-A280 PolarHBondContact O-N 3.2Å; A280-G282 PolarHBondContact O-N 3.41Å
281S39.8Very low68.8Low116 Ų11669.8 Ų69.881%0.81142%0.424SS*.SBendtrans-9962.4176.463.50000111.9L279L279-S281 VanDerWaalsContact C-N 3.31Å; L279-S281 PolarHBondContact O-N 2.74Å; L279-S281 VanDerWaalsContact O-N 3.1Å
282G42.9Very low68.9Low60 Ų6069 Ų6962%0.61943%0.427SS*.SBendtrans116.7135.3-178.200000112.6A280A280-G282 PolarHBondContact O-N 3.41Å
283E36.2Very low68.9Low151 Ų15171.1 Ų71.171%0.70644%0.438SS*.SBendtrans62.1153179.5-56.7-168.1165.100117.3Q285E283-Q285 HydrophobicContact CB-CG 4.01Å; E283-Q285 PolarHBondContact O-N 3.38Å; E283-Q285 PolarHBondContact OE2-NE2 2.96Å
284E44.4Very low68.7Low208 Ų20876.1 Ų76.197%0.97246%0.455SS*.  trans-80.437.2175.6-64.6-170.9107.900112.2S286E284-S286 PolarHBondContact O-N 3.25Å
285Q40.4Very low68.4Low145 Ų14576.3 Ų76.368%0.67846%0.456SS*.  trans-69.7121.7175.4-63.9-171.418.200108.9E283 S287E283-Q285 HydrophobicContact CB-CG 4.01Å; E283-Q285 PolarHBondContact O-N 3.38Å; E283-Q285 PolarHBondContact OE2-NE2 2.96Å; Q285-S287 PolarHBondContact O-N 3.43Å
286S48.6Very low67.5Low117 Ų11778.7 Ų78.782%0.81847%0.473SS*.  trans-49.1100.9-16854.40000113.1E284 S288E284-S286 PolarHBondContact O-N 3.25Å; S286-S288 PolarHBondContact O-N 3.37Å
287S59Low66.5Low47 Ų4786.3 Ų86.333%0.32951%0.509SS..  trans-57113.8172.357.90000108.7Y275 Q285 V289Y275-S287 WeakPolarHBondContact CD2-OG 3.4Å; Q285-S287 PolarHBondContact O-N 3.43Å; S287-V289 PolarHBondContact O-N 2.91Å
288S72.8Confident65.7Low75 Ų7588.5 Ų88.552%0.52453%0.533SS..  trans-57.4131.3-172.745.70000111S286 L290S286-S288 PolarHBondContact O-N 3.37Å; S288-L290 PolarHBondContact O-N 3.01Å
289V84.1Confident66.2Low77 Ų7790.4 Ų90.447%0.46753%0.527SS..EExtended strand (participates in β ladder)trans-69113.9176178.20000107.3L273 L274 S287 A291L273-V289 HydrophobicContact CB-CG1 4.33Å; L273-V289 HydrophobicContact CD1-CG2 4.41Å; L273-V289 HydrophobicContact CD2-CG1 4.28Å; L274-V289 CarbonylContact O-C 3.57Å; S287-V289 PolarHBondContact O-N 2.91Å; V289-A291 VanDerWaalsContact CG1-O 3.25Å; V289-A291 WeakPolarHBondContact CG1-O 3.28Å
290L88.3Confident67.6Low44 Ų4487.3 Ų87.323%0.2351%0.511CS..EExtended strand (participates in β ladder)trans-77.1-35.6-178.3-62.2178.9000111.8L274 N276 S288 V308 Y310 Y316L274-L290 HydrophobicContact CG-CB 4.42Å; L274-L290 PolarHBondContact O-N 3.49Å; N276-L290 HydrophobicContact CB-CD1 4.11Å; S288-L290 PolarHBondContact O-N 3.01Å; L290-V308 HydrophobicContact CB-CG1 3.87Å; L290-Y310 HydrophobicContact CD1-CE2 4.28Å; L290-Y310 HydrophobicContact CD2-CE2 4.1Å; L290-Y316 HydrophobicContact CD1-CD1 4.08Å; L290-Y316 HydrophobicContact CD1-CE1 3.59Å
291A89.6Confident69.5Low23 Ų2387 Ų8719%0.1950%0.498CS..EExtended strand (participates in β ladder)trans-156.2158.1172.600000109.8L274 V289 F304 V308L274-A291 HydrophobicContact CD2-CB 4.48Å; L274-A291 PolarHBondContact N-O 3.31Å; V289-A291 VanDerWaalsContact CG1-O 3.25Å; V289-A291 WeakPolarHBondContact CG1-O 3.28Å; A291-F304 HydrophobicContact CB-CD1 4.05Å; A291-F304 HydrophobicContact CB-CE1 4.05Å; A291-V308 HydrophobicContact CB-CG1 3.89Å; A291-V308 HydrophobicContact CB-CG2 4.34Å
292S91.8Very high72Confident47 Ų4782 Ų8233%0.32946%0.463SS..EExtended strand (participates in β ladder)trans-142122169.262.70000111I272I272-S292 VanDerWaalsContact O-CA 3.28Å; I272-S292 WeakPolarHBondContact O-CA 3.19Å
293N91.5Very high74.4Confident44 Ų4484.3 Ų84.324%0.23546%0.457CS..EExtended strand (participates in β ladder)trans-102.2141.7174.5-67.9-2.4000109.4K271 I272 T302 E303 F304K271-N293 CarbonylContact C-O 3.49Å; K271-N293 VanDerWaalsContact CA-O 3.22Å; K271-N293 WeakPolarHBondContact CA-O 3.2Å; K271-N293 VanDerWaalsContact CB-O 3.31Å; K271-N293 WeakPolarHBondContact CB-O 3.47Å; I272-N293 PolarHBondContact N-O 3.01Å; I272-N293 PolarHBondContact O-N 3.47Å; I272-N293 VanDerWaalsContact O-N 3.13Å; N293-T302 HydrophobicContact CB-CG2 3.99Å; N293-E303 PolarHBondContact ND2-O 3.48Å; N293-F304 HydrophobicContact CB-CE1 4.32Å; N293-F304 HydrophobicContact CB-CE2 4.23Å; N293-F304 HydrophobicContact CB-CZ 3.85Å
294W89.1Confident77Confident138 Ų13877.2 Ų77.252%0.52342%0.424SS..EExtended strand (participates in β ladder)trans-88.1140.3172.5-54.182.7000108.7K271 T302 N323K271-W294 HydrophobicContact CB-CD2 4.07Å; K271-W294 HydrophobicContact CB-CE3 4.01Å; K271-W294 HydrophobicContact CB-CG 4.4Å; K271-W294 HydrophobicContact CD-CD2 4.41Å; K271-W294 HydrophobicContact CD-CE3 4.3Å; K271-W294 HydrophobicContact CD-CH2 4.01Å; K271-W294 HydrophobicContact CD-CZ2 4.07Å; K271-W294 HydrophobicContact CD-CZ3 4.13Å; K271-W294 HydrophobicContact CG-CE3 4.46Å; W294-T302 WeakPolarHBondContact O-CG2 3.46Å; W294-N323 WeakPolarHBondContact CZ3-OD1 3Å
295L86.6Confident79.3Confident4 Ų471.7 Ų71.72%0.02140%0.401CS..EExtended strand (participates in β ladder)trans-84.8114.5163.4-76.8146.4000106M260 V268 G270 I272 T302 F320M260-L295 HydrophobicContact CB-CD1 3.95Å; M260-L295 HydrophobicContact CB-CD2 4.34Å; M260-L295 HydrophobicContact CG-CD1 4.06Å; V268-L295 HydrophobicContact CG1-CB 4.14Å; V268-L295 HydrophobicContact CG1-CD1 3.86Å; V268-L295 HydrophobicContact CG1-CG 4.5Å; G270-L295 PolarHBondContact O-N 2.7Å; I272-L295 HydrophobicContact CD1-CD1 3.76Å; I272-L295 HydrophobicContact CD1-CG 4.31Å; I272-L295 HydrophobicContact CG1-CD1 3.92Å; L295-T302 HydrophobicContact CD2-CG2 3.79Å; L295-T302 HydrophobicContact CG-CG2 3.77Å; L295-F320 HydrophobicContact CD1-CD2 3.78Å; L295-F320 HydrophobicContact CD1-CE2 3.63Å
296T71.7Confident81.5Confident80 Ų8065 Ų6549%0.49137%0.371SS..  trans-79.6-177.3-178.482.90000111G298 E299T296-G298 PolarHBondContact O-N 3.47Å; T296-E299 VanDerWaalsContact CB-OE2 3.22Å; T296-E299 WeakPolarHBondContact CB-OE2 3.46Å; T296-E299 VanDerWaalsContact CG2-OE2 3.31Å; T296-E299 WeakPolarHBondContact CG2-OE2 3.38Å; T296-E299 PolarHBondContact N-OE2 3.3Å; T296-E299 PolarHBondContact O-N 3.16Å; T296-E299 VanDerWaalsContact O-N 3.15Å; T296-E299 PolarHBondContact OG1-OE2 2.57Å
297Q66.1Low83.3Confident171 Ų17163.2 Ų63.280%0.79936%0.358SS*.THydrogen-bonded Turntrans-74.283.5-159.3-163.8-179.4-28.900113.4H267H267-Q297 VanDerWaalsContact NE2-CG 3.27Å; H267-Q297 WeakPolarHBondContact NE2-CG 3.44Å
298G66Low84.7Confident66 Ų6663 Ų6368%0.6836%0.355SS*.THydrogen-bonded Turntrans122.1-14.2-17900000113.6T296T296-G298 PolarHBondContact O-N 3.47Å
299E76.5Confident85.4Confident94 Ų9459.5 Ų59.544%0.43933%0.33SS..  trans-71.4141.9176.8-69.1174.6151.600111.7T296T296-E299 VanDerWaalsContact CB-OE2 3.22Å; T296-E299 WeakPolarHBondContact CB-OE2 3.46Å; T296-E299 VanDerWaalsContact CG2-OE2 3.31Å; T296-E299 WeakPolarHBondContact CG2-OE2 3.38Å; T296-E299 PolarHBondContact N-OE2 3.3Å; T296-E299 PolarHBondContact O-N 3.16Å; T296-E299 VanDerWaalsContact O-N 3.15Å; T296-E299 PolarHBondContact OG1-OE2 2.57Å
300N85.1Confident85.4Confident56 Ų5661 Ų6130%0.29933%0.328SS..  trans-114.95.5174.86412000112.6K259 M260K259-N300 CarbonylContact C-O 3.56Å; K259-N300 WeakPolarHBondContact CA-O 3.21Å; M260-N300 WeakPolarHBondContact CB-O 3.44Å; M260-N300 PolarHBondContact N-O 2.03Å
301E89.4Confident85.1Confident64 Ų6462.2 Ų62.230%0.29934%0.339SS..EExtended strand (participates in β ladder)trans-136.6153.2-176-81162.9-150.800111.2T257 V258 K259T257-E301 HydrophobicContact CG2-CB 4.27Å; T257-E301 HydrophobicContact CG2-CG 4.24Å; V258-E301 WeakPolarHBondContact O-CA 3.4Å; K259-E301 HydrophobicContact CB-CG 3.78Å; K259-E301 HydrophobicContact CD-CG 4.19Å; K259-E301 WeakPolarHBondContact CD-OE1 3.08Å; K259-E301 WeakPolarHBondContact CE-OE1 3.42Å; K259-E301 HydrophobicContact CG-CG 3.74Å; K259-E301 IonicContact NZ-OE1 2.79Å; K259-E301 PolarHBondContact NZ-OE1 3.15Å
302T91.4Very high84.6Confident11 Ų1161.9 Ų61.97%0.06734%0.337CS..EExtended strand (participates in β ladder)trans-145.8148.7171.555.30000110.6V258 I272 N293 W294 L295V258-T302 PolarHBondContact N-O 3.01Å; V258-T302 PolarHBondContact O-N 3.35Å; I272-T302 WeakPolarHBondContact CD1-OG1 3.36Å; N293-T302 HydrophobicContact CB-CG2 3.99Å; W294-T302 WeakPolarHBondContact O-CG2 3.46Å; L295-T302 HydrophobicContact CD2-CG2 3.79Å; L295-T302 HydrophobicContact CG-CG2 3.77Å
303E92.9Very high84.3Confident108 Ų10868.3 Ų68.351%0.50535%0.354SS..EExtended strand (participates in β ladder)trans-109.1122.2-178.7-74.5-173.2-130.700113T255 T257 N293T255-E303 WeakPolarHBondContact CB-OE2 3.41Å; T255-E303 HydrophobicContact CG2-CB 4.41Å; T255-E303 WeakPolarHBondContact CG2-OE2 3.1Å; T255-E303 PolarHBondContact OG1-OE2 2.89Å; T257-E303 HydrophobicContact CG2-CG 4.44Å; N293-E303 PolarHBondContact ND2-O 3.48Å
304F92.6Very high84.1Confident2 Ų268.2 Ų68.21%0.00935%0.353CS..EExtended strand (participates in β ladder)trans-97.2122.8172.5-70.6-96.8000109.8T255 M256 V258 I272 L274 A291 N293 C306 F309 F318T255-F304 CarbonylContact C-O 3.6Å; M256-F304 HydrophobicContact CB-CB 4.49Å; M256-F304 WeakPolarHBondContact CB-O 3.29Å; M256-F304 PolarHBondContact N-O 2.84Å; M256-F304 PolarHBondContact O-N 2.9Å; V258-F304 HydrophobicContact CB-CD2 4.47Å; V258-F304 HydrophobicContact CB-CE2 4.4Å; V258-F304 HydrophobicContact CG2-CD2 3.71Å; V258-F304 HydrophobicContact CG2-CE2 4.01Å; I272-F304 HydrophobicContact CB-CE2 4.33Å; I272-F304 HydrophobicContact CB-CZ 4.1Å; I272-F304 HydrophobicContact CG2-CE2 3.91Å; I272-F304 HydrophobicContact CG2-CZ 3.79Å; L274-F304 HydrophobicContact CB-CD1 3.99Å; L274-F304 HydrophobicContact CB-CE1 3.67Å; L274-F304 HydrophobicContact CB-CZ 4.35Å; L274-F304 HydrophobicContact CD2-CD1 3.67Å; L274-F304 HydrophobicContact CD2-CE1 4.24Å; L274-F304 HydrophobicContact CD2-CG 4.3Å; L274-F304 HydrophobicContact CG-CD1 4.49Å; A291-F304 HydrophobicContact CB-CD1 4.05Å; A291-F304 HydrophobicContact CB-CE1 4.05Å; N293-F304 HydrophobicContact CB-CE1 4.32Å; N293-F304 HydrophobicContact CB-CE2 4.23Å; N293-F304 HydrophobicContact CB-CZ 3.85Å; F304-C306 PolarHBondContact O-N 2.89Å; F304-F309 HydrophobicContact CB-CZ 4.35Å; F304-F318 HydrophobicContact CD1-CE1 4.39Å; F304-F318 HydrophobicContact CD2-CD1 4.23Å; F304-F318 AromaticContact CD2-CE1 3.74Å; F304-F318 HydrophobicContact CD2-CE1 3.74Å; F304-F318 HydrophobicContact CE2-CD1 4Å; F304-F318 AromaticContact CE2-CE1 3.98Å; F304-F318 HydrophobicContact CE2-CE1 3.98Å; F304-F318 AromaticContact CG-CE1 3.96Å; F304-F318 HydrophobicContact CG-CE1 3.96Å; F304-F318 HydrophobicContact CZ-CD1 4.29Å; F304-F318 HydrophobicContact CZ-CE1 4.4Å
305N90.8Very high84.2Confident92 Ų9266.7 Ų66.749%0.49235%0.351SS..EExtended strand (participates in β ladder)trans-59.6134.2174.7-81-73.5000111S307 V308N305-S307 VanDerWaalsContact CB-OG 3.29Å; N305-S307 WeakPolarHBondContact CB-OG 3.01Å; N305-S307 PolarHBondContact O-N 3.33Å; N305-V308 WeakPolarHBondContact O-CG2 3.41Å; N305-V308 PolarHBondContact O-N 2.7Å
306C88.5Confident84.4Confident6 Ų666.5 Ų66.54%0.04135%0.35CS..G310 helixtrans-61.1-13.5174.4-70.10000112.8C252 M253 G254 F304 V308 F309 R339C252-C306 VanDerWaalsContact CA-SG 3.5Å; C252-C306 HydrophobicContact CB-CB 3.81Å; C252-C306 WeakPolarHBondContact CB-SG 3.48Å; C252-C306 WeakPolarHBondContact SG-CB 3.47Å; C252-C306 CovalentContact SG-SG 2.04Å; C252-C306 PolarHBondContact SG-SG 3.09Å; M253-C306 PolarHBondContact N-SG 2.85Å; G254-C306 VanDerWaalsContact O-CB 3.25Å; G254-C306 WeakPolarHBondContact O-CB 3.45Å; G254-C306 PolarHBondContact O-N 2.93Å; G254-C306 PolarHBondContact O-SG 2.93Å; F304-C306 PolarHBondContact O-N 2.89Å; C306-V308 PolarHBondContact O-N 2.9Å; C306-F309 HydrophobicContact CB-CD2 4.42Å; C306-F309 PolarHBondContact O-N 2.89Å; C306-R339 WeakPolarHBondContact O-CD 3.03Å
307S84.9Confident85.4Confident78 Ų7862.9 Ų62.955%0.54533%0.328SS..G310 helixtrans-63.7-20.3171.863.20000114.4N305 R339N305-S307 VanDerWaalsContact CB-OG 3.29Å; N305-S307 WeakPolarHBondContact CB-OG 3.01Å; N305-S307 PolarHBondContact O-N 3.33Å; S307-R339 VanDerWaalsContact C-NH1 3.29Å; S307-R339 PolarHBondContact O-NH1 3.31Å
308V88.3Confident86.7Confident43 Ų4354.8 Ų54.826%0.26129%0.29SS..G310 helixtrans-79.3-26.8-179.6-178.40000112.6L274 L290 A291 N305 C306L274-V308 HydrophobicContact CD2-CB 4.43Å; L274-V308 HydrophobicContact CD2-CG1 3.78Å; L290-V308 HydrophobicContact CB-CG1 3.87Å; A291-V308 HydrophobicContact CB-CG1 3.89Å; A291-V308 HydrophobicContact CB-CG2 4.34Å; N305-V308 WeakPolarHBondContact O-CG2 3.41Å; N305-V308 PolarHBondContact O-N 2.7Å; C306-V308 PolarHBondContact O-N 2.9Å
309F88.6Confident87.9Confident2 Ų256.4 Ų56.41%0.00928%0.275CS..SBendtrans-78.3140.8-179.2-51.2-66.9000111.4M256 L274 F304 C306 Y316 F318 V337 R339M256-F309 HydrophobicContact CB-CE2 4.26Å; M256-F309 HydrophobicContact CB-CZ 4.48Å; M256-F309 HydrophobicContact CG-CZ 4.46Å; M256-F309 HydrophobicContact SD-CE1 4.16Å; M256-F309 HydrophobicContact SD-CE2 3.55Å; M256-F309 VanDerWaalsContact SD-CE2 3.55Å; M256-F309 HydrophobicContact SD-CZ 3.25Å; M256-F309 WeakPolarHBondContact SD-CZ 3.16Å; L274-F309 HydrophobicContact CD1-CE1 3.85Å; L274-F309 HydrophobicContact CD2-CD1 4.27Å; L274-F309 HydrophobicContact CD2-CE1 3.5Å; L274-F309 VanDerWaalsContact CD2-CE1 3.5Å; L274-F309 HydrophobicContact CD2-CZ 3.96Å; L274-F309 HydrophobicContact CG-CE1 4.32Å; F304-F309 HydrophobicContact CB-CZ 4.35Å; C306-F309 HydrophobicContact CB-CD2 4.42Å; C306-F309 PolarHBondContact O-N 2.89Å; F309-Y316 HydrophobicContact CB-CE2 3.86Å; F309-Y316 AromaticContact CD1-CD1 3.92Å; F309-Y316 HydrophobicContact CD1-CD1 3.92Å; F309-Y316 AromaticContact CD1-CD2 3.53Å; F309-Y316 HydrophobicContact CD1-CD2 3.53Å; F309-Y316 AromaticContact CD1-CE1 3.98Å; F309-Y316 HydrophobicContact CD1-CE1 3.98Å; F309-Y316 AromaticContact CD1-CE2 3.55Å; F309-Y316 HydrophobicContact CD1-CE2 3.55Å; F309-Y316 AromaticContact CD1-CG 3.72Å; F309-Y316 HydrophobicContact CD1-CG 3.72Å; F309-Y316 AromaticContact CD1-CZ 3.81Å; F309-Y316 HydrophobicContact CE1-CD1 4.35Å; F309-Y316 HydrophobicContact CE1-CD2 4.13Å; F309-Y316 HydrophobicContact CE1-CG 4.01Å; F309-Y316 HydrophobicContact CG-CD2 4.36Å; F309-Y316 HydrophobicContact CG-CE2 4.06Å; F309-F318 HydrophobicContact CE1-CZ 4.16Å; F309-F318 HydrophobicContact CZ-CZ 4.14Å; F309-V337 HydrophobicContact CB-CG1 4.38Å; F309-V337 HydrophobicContact CD1-CG2 4.45Å; F309-V337 HydrophobicContact CD2-CG1 3.98Å; F309-V337 HydrophobicContact CE1-CG2 4.41Å; F309-V337 HydrophobicContact CG-CB 4.48Å; F309-V337 HydrophobicContact CG-CG1 4.03Å; F309-R339 WeakPolarHBondContact O-CD 3.45Å; F309-R339 PolarHBondContact O-NH1 2.99Å
310Y84.2Confident88.6Confident108 Ų10852 Ų5242%0.42425%0.254SS..PPolyproline II helixtrans-68.9145.5172.9-62.5-58.6000110.6L290 N314 Y316L290-Y310 HydrophobicContact CD1-CE2 4.28Å; L290-Y310 HydrophobicContact CD2-CE2 4.1Å; Y310-N314 PolarHBondContact O-ND2 3.24Å; Y310-N314 VanDerWaalsContact O-ND2 3.12Å; Y310-Y316 WeakPolarHBondContact CB-OH 3.46Å; Y310-Y316 WeakPolarHBondContact CD2-OH 3.38Å; Y310-Y316 PolarHBondContact N-OH 3.06Å
311P82.4Confident88.7Confident70 Ų7051.2 Ų51.246%0.45525%0.252SS..SBendtrans-59.9154.8175.726.5-35000112.5N314 A341P311-N314 PolarHBondContact O-ND2 3.32Å; P311-A341 HydrophobicContact CB-CB 3.53Å; P311-A341 HydrophobicContact CG-CB 4.41Å
312G79.1Confident88.4Confident15 Ų1549.8 Ų49.816%0.15525%0.245CC..EExtended strand (participates in β ladder)trans89.3-164.7-172.200000112.5Y338 R339G312-Y338 WeakPolarHBondContact O-CA 3.43Å; G312-Y338 WeakPolarHBondContact O-CD2 3.48Å; G312-R339 PolarHBondContact N-O 2.85Å; G312-R339 PolarHBondContact O-N 2.89Å
313R85.6Confident87.9Confident183 Ų18351.7 Ų51.769%0.69126%0.255SS*.EExtended strand (participates in β ladder)trans-102.897.2-178-70.3-174.7172.5175.5-2110V336 Y338R313-V336 HydrophobicContact CB-CG1 4.09Å; R313-Y338 HydrophobicContact CG-CD2 3.45Å; R313-Y338 VanDerWaalsContact CG-CD2 3.45Å; R313-Y338 HydrophobicContact CG-CE2 4.25Å; R313-Y338 HydrophobicContact CG-CG 3.98Å
314N86.6Confident86.7Confident41 Ų4155.6 Ų55.622%0.21927%0.27CS..EExtended strand (participates in β ladder)trans-116145-174.4-67-66.3000110.9Y310 P311 Y316 V336 V337Y310-N314 PolarHBondContact O-ND2 3.24Å; Y310-N314 VanDerWaalsContact O-ND2 3.12Å; P311-N314 PolarHBondContact O-ND2 3.32Å; N314-Y316 HydrophobicContact CB-CD2 4.35Å; N314-Y316 HydrophobicContact CB-CE2 3.45Å; N314-Y316 VanDerWaalsContact CB-CE2 3.45Å; N314-Y316 WeakPolarHBondContact CB-OH 3Å; N314-Y316 WeakPolarHBondContact O-CD2 3.24Å; N314-V336 WeakPolarHBondContact O-CA 3.28Å; N314-V337 PolarHBondContact N-O 3.49Å; N314-V337 PolarHBondContact O-N 3.01Å
315K91.2Very high85.3Confident107 Ų10758 Ų5847%0.46529%0.287SS..EExtended strand (participates in β ladder)trans-89117.2178.5-176.1-172.9171.6-172.70109.8N276 A277 L335 V336N276-K315 PolarHBondContact OD1-O 2.72Å; A277-K315 HydrophobicContact CB-CB 4.46Å; A277-K315 HydrophobicContact CB-CD 4.03Å; A277-K315 HydrophobicContact CB-CG 4.08Å; A277-K315 WeakPolarHBondContact CB-O 3.43Å; A277-K315 PolarHBondContact N-O 3.13Å; K315-L335 WeakPolarHBondContact CA-O 3.44Å; K315-V336 HydrophobicContact CB-CG2 4.47Å
316Y91.6Very high83.7Confident0 Ų063.3 Ų63.30%031%0.309CS..EExtended strand (participates in β ladder)trans-108.8150177-66.2-75.2000111.5L274 N276 L290 F309 Y310 N314 C334 L335 V337L274-Y316 HydrophobicContact CD1-CD1 3.88Å; L274-Y316 HydrophobicContact CD1-CG 4.13Å; N276-Y316 HydrophobicContact CB-CD1 4.28Å; N276-Y316 HydrophobicContact CB-CE1 3.88Å; L290-Y316 HydrophobicContact CD1-CD1 4.08Å; L290-Y316 HydrophobicContact CD1-CE1 3.59Å; F309-Y316 HydrophobicContact CB-CE2 3.86Å; F309-Y316 AromaticContact CD1-CD1 3.92Å; F309-Y316 HydrophobicContact CD1-CD1 3.92Å; F309-Y316 AromaticContact CD1-CD2 3.53Å; F309-Y316 HydrophobicContact CD1-CD2 3.53Å; F309-Y316 AromaticContact CD1-CE1 3.98Å; F309-Y316 HydrophobicContact CD1-CE1 3.98Å; F309-Y316 AromaticContact CD1-CE2 3.55Å; F309-Y316 HydrophobicContact CD1-CE2 3.55Å; F309-Y316 AromaticContact CD1-CG 3.72Å; F309-Y316 HydrophobicContact CD1-CG 3.72Å; F309-Y316 AromaticContact CD1-CZ 3.81Å; F309-Y316 HydrophobicContact CE1-CD1 4.35Å; F309-Y316 HydrophobicContact CE1-CD2 4.13Å; F309-Y316 HydrophobicContact CE1-CG 4.01Å; F309-Y316 HydrophobicContact CG-CD2 4.36Å; F309-Y316 HydrophobicContact CG-CE2 4.06Å; Y310-Y316 WeakPolarHBondContact CB-OH 3.46Å; Y310-Y316 WeakPolarHBondContact CD2-OH 3.38Å; Y310-Y316 PolarHBondContact N-OH 3.06Å; N314-Y316 HydrophobicContact CB-CD2 4.35Å; N314-Y316 HydrophobicContact CB-CE2 3.45Å; N314-Y316 VanDerWaalsContact CB-CE2 3.45Å; N314-Y316 WeakPolarHBondContact CB-OH 3Å; N314-Y316 WeakPolarHBondContact O-CD2 3.24Å; Y316-C334 CarbonylContact O-C 3.6Å; Y316-C334 WeakPolarHBondContact O-CA 3.46Å; Y316-C334 WeakPolarHBondContact O-CB 3.45Å; Y316-L335 PolarHBondContact N-O 3.24Å; Y316-L335 PolarHBondContact O-N 3.27Å; Y316-V337 HydrophobicContact CD2-CB 3.74Å; Y316-V337 HydrophobicContact CD2-CG2 3.79Å; Y316-V337 HydrophobicContact CE2-CB 4.05Å
317C92.6Very high82.3Confident4 Ų465 Ų653%0.02732%0.321CS..EExtended strand (participates in β ladder)trans-127.2141.1173.2-70.80000110Y275 T333 C334Y275-C317 HydrophobicContact CD1-CB 4.27Å; Y275-C317 WeakPolarHBondContact CD1-O 3.44Å; Y275-C317 HydrophobicContact CD2-CB 4.21Å; Y275-C317 HydrophobicContact CE1-CB 3.66Å; Y275-C317 HydrophobicContact CE2-CB 3.64Å; Y275-C317 PolarHBondContact N-O 2.94Å; Y275-C317 PolarHBondContact O-N 3.07Å; C317-T333 CarbonylContact C-O 3.59Å; C317-T333 WeakPolarHBondContact CA-O 3.17Å; C317-C334 HydrophobicContact CB-CB 4.1Å; C317-C334 WeakPolarHBondContact CB-SG 3.33Å; C317-C334 WeakPolarHBondContact SG-CB 3.44Å; C317-C334 CovalentContact SG-SG 2.04Å; C317-C334 PolarHBondContact SG-SG 3.23Å
318F92.9Very high81.4Confident0 Ų066.6 Ų66.60%033%0.33CS..EExtended strand (participates in β ladder)trans-114.2128.7176-61.1-95.9000107.6L240 V242 M256 V258 I272 L273 L274 F304 F309 Q332 T333 L335L240-F318 HydrophobicContact CD1-CB 4.17Å; L240-F318 WeakPolarHBondContact CD1-O 3.34Å; V242-F318 HydrophobicContact CG2-CD2 4.28Å; V242-F318 HydrophobicContact CG2-CE2 4.31Å; M256-F318 HydrophobicContact CE-CE2 3.64Å; M256-F318 HydrophobicContact CE-CZ 3.55Å; M256-F318 HydrophobicContact SD-CZ 3.91Å; V258-F318 HydrophobicContact CG1-CB 4.49Å; V258-F318 HydrophobicContact CG1-CD1 4.35Å; V258-F318 HydrophobicContact CG1-CG 4.43Å; V258-F318 HydrophobicContact CG2-CD1 3.84Å; V258-F318 HydrophobicContact CG2-CE1 3.69Å; V258-F318 HydrophobicContact CG2-CG 4.44Å; V258-F318 HydrophobicContact CG2-CZ 4.19Å; I272-F318 HydrophobicContact CG2-CB 3.97Å; I272-F318 HydrophobicContact CG2-CD1 4.01Å; L273-F318 CarbonylContact O-C 3.54Å; L273-F318 WeakPolarHBondContact O-CA 3.34Å; L274-F318 HydrophobicContact CB-CD1 4.21Å; L274-F318 HydrophobicContact CB-CE1 4.15Å; L274-F318 HydrophobicContact CD1-CD1 4.22Å; L274-F318 HydrophobicContact CD1-CE1 3.78Å; L274-F318 HydrophobicContact CD1-CE2 4.2Å; L274-F318 HydrophobicContact CD1-CZ 3.77Å; L274-F318 HydrophobicContact CD2-CE1 4.22Å; L274-F318 HydrophobicContact CG-CE1 4.26Å; F304-F318 HydrophobicContact CD1-CE1 4.39Å; F304-F318 HydrophobicContact CD2-CD1 4.23Å; F304-F318 AromaticContact CD2-CE1 3.74Å; F304-F318 HydrophobicContact CD2-CE1 3.74Å; F304-F318 HydrophobicContact CE2-CD1 4Å; F304-F318 AromaticContact CE2-CE1 3.98Å; F304-F318 HydrophobicContact CE2-CE1 3.98Å; F304-F318 AromaticContact CG-CE1 3.96Å; F304-F318 HydrophobicContact CG-CE1 3.96Å; F304-F318 HydrophobicContact CZ-CD1 4.29Å; F304-F318 HydrophobicContact CZ-CE1 4.4Å; F309-F318 HydrophobicContact CE1-CZ 4.16Å; F309-F318 HydrophobicContact CZ-CZ 4.14Å; F318-Q332 CarbonylContact O-C 3.5Å; F318-Q332 VanDerWaalsContact O-CA 3.27Å; F318-Q332 WeakPolarHBondContact O-CA 3.24Å; F318-T333 HydrophobicContact CB-CG2 4.1Å; F318-T333 HydrophobicContact CD2-CG2 4.44Å; F318-T333 PolarHBondContact N-O 3.28Å; F318-T333 PolarHBondContact O-N 2.87Å; F318-L335 HydrophobicContact CD2-CD2 4.14Å; F318-L335 HydrophobicContact CE2-CD2 3.73Å
319R91.6Very high80.2Confident101 Ų10166 Ų6638%0.38133%0.327SS..EExtended strand (participates in β ladder)trans-132.9120.7-174.4-179.6-179.9-167.6-173.33.9110L273 Y275 V321 S329 Q332L273-R319 PolarHBondContact N-O 2.03Å; L273-R319 PolarHBondContact O-N 3.21Å; Y275-R319 HydrophobicContact CE1-CB 3.85Å; R319-V321 HydrophobicContact CG-CG2 4.49Å; R319-S329 VanDerWaalsContact NE-CB 3.32Å; R319-S329 PolarHBondContact NE-OG 3.29Å; R319-S329 PolarHBondContact NH2-OG 2.8Å; R319-Q332 HydrophobicContact CB-CG 4.48Å
320F90Very high79.4Confident0 Ų068.1 Ų68.10%034%0.341CS..EExtended strand (participates in β ladder)trans-84.7136178.8175.9-96.8000110.8L240 M260 V268 I272 L295 F322 S329 P330 A331L240-F320 HydrophobicContact CD1-CB 4.07Å; L240-F320 HydrophobicContact CG-CB 4.42Å; M260-F320 HydrophobicContact CE-CB 3.85Å; M260-F320 HydrophobicContact CE-CD1 3.41Å; M260-F320 VanDerWaalsContact CE-CD1 3.41Å; M260-F320 HydrophobicContact CE-CD2 3.89Å; M260-F320 HydrophobicContact CE-CE1 3.86Å; M260-F320 HydrophobicContact CE-CE2 4.29Å; M260-F320 HydrophobicContact CE-CG 3.42Å; M260-F320 VanDerWaalsContact CE-CG 3.42Å; M260-F320 HydrophobicContact CE-CZ 4.28Å; M260-F320 HydrophobicContact SD-CB 4.03Å; M260-F320 HydrophobicContact SD-CD2 4.07Å; M260-F320 HydrophobicContact SD-CG 3.95Å; V268-F320 HydrophobicContact CG1-CE2 3.91Å; V268-F320 HydrophobicContact CG1-CZ 3.96Å; I272-F320 HydrophobicContact CG1-CD2 4.15Å; L295-F320 HydrophobicContact CD1-CD2 3.78Å; L295-F320 HydrophobicContact CD1-CE2 3.63Å; F320-F322 AromaticContact CE1-CD1 3.65Å; F320-F322 HydrophobicContact CE1-CD1 3.65Å; F320-F322 HydrophobicContact CE1-CD2 4.34Å; F320-F322 AromaticContact CE1-CE1 3.62Å; F320-F322 HydrophobicContact CE1-CE1 3.62Å; F320-F322 HydrophobicContact CE1-CE2 4.33Å; F320-F322 HydrophobicContact CE1-CG 4.03Å; F320-F322 AromaticContact CE1-CZ 3.97Å; F320-F322 HydrophobicContact CE1-CZ 3.97Å; F320-F322 AromaticContact CZ-CD1 3.93Å; F320-F322 HydrophobicContact CZ-CD1 3.93Å; F320-F322 HydrophobicContact CZ-CE1 4.09Å; F320-S329 WeakPolarHBondContact O-CA 3.35Å; F320-S329 WeakPolarHBondContact O-CB 3.02Å; F320-P330 HydrophobicContact CD1-CG 3.86Å; F320-P330 HydrophobicContact CE1-CG 4.32Å; F320-A331 HydrophobicContact CB-CB 4.3Å; F320-A331 PolarHBondContact N-O 2.83Å
321V87.5Confident79.5Confident41 Ų4163.2 Ų63.225%0.24832%0.323CS..EExtended strand (participates in β ladder)trans-134.2129.7178.9-175.40000109.3G270 K271 L273 R319G270-V321 CarbonylContact C-O 3.54Å; G270-V321 WeakPolarHBondContact CA-O 3.46Å; K271-V321 PolarHBondContact N-O 2.92Å; K271-V321 PolarHBondContact O-N 2.82Å; L273-V321 HydrophobicContact CD1-CG2 3.76Å; L273-V321 HydrophobicContact CG-CG2 4.18Å; R319-V321 HydrophobicContact CG-CG2 4.49Å
322F84.2Confident79.9Confident34 Ų3464.8 Ų64.815%0.14932%0.324CS..EExtended strand (participates in β ladder)trans-70.7151175.3-66.7-73.7000112Y238 F320 F324 P330Y238-F322 HydrophobicContact CD2-CZ 4.49Å; Y238-F322 HydrophobicContact CE1-CE1 4.5Å; Y238-F322 HydrophobicContact CE1-CZ 4.26Å; Y238-F322 AromaticContact CE2-CZ 3.86Å; Y238-F322 HydrophobicContact CE2-CZ 3.86Å; Y238-F322 AromaticContact CZ-CZ 3.72Å; F320-F322 AromaticContact CE1-CD1 3.65Å; F320-F322 HydrophobicContact CE1-CD1 3.65Å; F320-F322 HydrophobicContact CE1-CD2 4.34Å; F320-F322 AromaticContact CE1-CE1 3.62Å; F320-F322 HydrophobicContact CE1-CE1 3.62Å; F320-F322 HydrophobicContact CE1-CE2 4.33Å; F320-F322 HydrophobicContact CE1-CG 4.03Å; F320-F322 AromaticContact CE1-CZ 3.97Å; F320-F322 HydrophobicContact CE1-CZ 3.97Å; F320-F322 AromaticContact CZ-CD1 3.93Å; F320-F322 HydrophobicContact CZ-CD1 3.93Å; F320-F322 HydrophobicContact CZ-CE1 4.09Å; F322-F324 PolarHBondContact O-N 2.89Å; F322-P330 HydrophobicContact CD2-CG 4.42Å; F322-P330 HydrophobicContact CE2-CB 4.49Å; F322-P330 HydrophobicContact CE2-CG 3.65Å; F322-P330 HydrophobicContact CZ-CG 4.05Å
323N79Confident80.5Confident51 Ų5165.9 Ų65.927%0.27333%0.328SS..SBendtrans-73.4-24.5-176.7-69.9-13.9000114.6N269 G270 W294N269-N323 PolarHBondContact O-N 3.23Å; N269-N323 PolarHBondContact OD1-ND2 3.44Å; G270-N323 VanDerWaalsContact CA-OD1 3.29Å; G270-N323 WeakPolarHBondContact CA-OD1 3.41Å; W294-N323 WeakPolarHBondContact CZ3-OD1 3Å
324F67.8Low80.8Confident190 Ų19059.5 Ų59.583%0.83331%0.311SS*.SBendtrans-127.49.6-172.2-57.2-72.2000114.3F322F322-F324 PolarHBondContact O-N 2.89Å
325S63.6Low81.1Confident51 Ų5158.4 Ų58.436%0.35731%0.305SS..  trans-113.3141.5-177.2-166.10000112.8S327S325-S327 VanDerWaalsContact C-N 3.33Å; S325-S327 WeakPolarHBondContact OG-CB 3.25Å; S325-S327 PolarHBondContact OG-N 3Å; S325-S327 PolarHBondContact OG-OG 2.86Å
326Q57.7Low81.1Confident204 Ų20456.5 Ų56.595%0.95330%0.302SS*.  trans-90.12.2166.1-59.9178.313.200112
327S59.9Low81Confident43 Ų4356.5 Ų56.530%0.30130%0.302SS..SBendtrans-65.2145.7177.259.60000111.5S325 S329S325-S327 VanDerWaalsContact C-N 3.33Å; S325-S327 WeakPolarHBondContact OG-CB 3.25Å; S325-S327 PolarHBondContact OG-N 3Å; S325-S327 PolarHBondContact OG-OG 2.86Å; S327-S329 PolarHBondContact O-N 3.03Å
328P64.6Low80.8Confident111 Ų11157.6 Ų57.672%0.72131%0.306SS*.  trans-59.6137.3176.824.9-34.2000110.5P330P328-P330 VanDerWaalsContact O-N 3.16Å
329S63.6Low80.4Confident29 Ų2961.3 Ų61.320%0.20332%0.32CS..  trans-40.4116.1178.553.40000112.6R319 F320 S327 A331R319-S329 VanDerWaalsContact NE-CB 3.32Å; R319-S329 PolarHBondContact NE-OG 3.29Å; R319-S329 PolarHBondContact NH2-OG 2.8Å; F320-S329 WeakPolarHBondContact O-CA 3.35Å; F320-S329 WeakPolarHBondContact O-CB 3.02Å; S327-S329 PolarHBondContact O-N 3.03Å; S329-A331 VanDerWaalsContact C-N 3.29Å; S329-A331 PolarHBondContact O-N 3.31Å
330P71.3Confident79.5Confident47 Ų4761.1 Ų61.131%0.30532%0.319SS..SBendtrans-79.2-13.2-17035.2-41000113.1Y238 F320 F322 P328Y238-P330 HydrophobicContact CD2-CB 3.73Å; Y238-P330 HydrophobicContact CD2-CG 3.94Å; Y238-P330 HydrophobicContact CG-CB 4.15Å; Y238-P330 HydrophobicContact CG-CG 4.06Å; F320-P330 HydrophobicContact CD1-CG 3.86Å; F320-P330 HydrophobicContact CE1-CG 4.32Å; F322-P330 HydrophobicContact CD2-CG 4.42Å; F322-P330 HydrophobicContact CE2-CB 4.49Å; F322-P330 HydrophobicContact CE2-CG 3.65Å; F322-P330 HydrophobicContact CZ-CG 4.05Å; P328-P330 VanDerWaalsContact O-N 3.16Å
331A86.2Confident78.2Confident5 Ų562 Ų624%0.04133%0.326CS..EExtended strand (participates in β ladder)trans-140.1134.6-179.900000111.9Y238 L240 M260 F320 S329Y238-A331 WeakPolarHBondContact O-CB 3.27Å; L240-A331 HydrophobicContact CD1-CB 4.33Å; L240-A331 HydrophobicContact CG-CB 3.99Å; M260-A331 HydrophobicContact CE-CB 4.03Å; M260-A331 HydrophobicContact SD-CB 4.38Å; F320-A331 HydrophobicContact CB-CB 4.3Å; F320-A331 PolarHBondContact N-O 2.83Å; S329-A331 VanDerWaalsContact C-N 3.29Å; S329-A331 PolarHBondContact O-N 3.31Å
332Q90.9Very high77.1Confident104 Ų10462.8 Ų62.849%0.48633%0.327SS..EExtended strand (participates in β ladder)trans-141.1142.7169.7-177.1-177.1-32.900109.2Y275 F318 R319 C334Y275-Q332 VanDerWaalsContact OH-CD 3.31Å; Y275-Q332 PolarHBondContact OH-NE2 2.94Å; Y275-Q332 VanDerWaalsContact OH-NE2 3.14Å; F318-Q332 CarbonylContact O-C 3.5Å; F318-Q332 VanDerWaalsContact O-CA 3.27Å; F318-Q332 WeakPolarHBondContact O-CA 3.24Å; R319-Q332 HydrophobicContact CB-CG 4.48Å; Q332-C334 PolarHBondContact NE2-SG 3.38Å
333T92.6Very high76.3Confident37 Ų3764 Ų6423%0.22734%0.339CS..EExtended strand (participates in β ladder)trans-139.1152.6169.8-167.20000110.2L240 V242 C317 F318L240-T333 HydrophobicContact CB-CG2 3.51Å; L240-T333 WeakPolarHBondContact O-CB 3.29Å; V242-T333 HydrophobicContact CG2-CG2 4.1Å; C317-T333 CarbonylContact C-O 3.59Å; C317-T333 WeakPolarHBondContact CA-O 3.17Å; F318-T333 HydrophobicContact CB-CG2 4.1Å; F318-T333 HydrophobicContact CD2-CG2 4.44Å; F318-T333 PolarHBondContact N-O 3.28Å; F318-T333 PolarHBondContact O-N 2.87Å
334C92.5Very high76.1Confident49 Ų4964.2 Ų64.233%0.33134%0.337SS..EExtended strand (participates in β ladder)trans-143.4144.8-177.8-53.50000111.6Y316 C317 Q332Y316-C334 CarbonylContact O-C 3.6Å; Y316-C334 WeakPolarHBondContact O-CA 3.46Å; Y316-C334 WeakPolarHBondContact O-CB 3.45Å; C317-C334 HydrophobicContact CB-CB 4.1Å; C317-C334 WeakPolarHBondContact CB-SG 3.33Å; C317-C334 WeakPolarHBondContact SG-CB 3.44Å; C317-C334 CovalentContact SG-SG 2.04Å; C317-C334 PolarHBondContact SG-SG 3.23Å; Q332-C334 PolarHBondContact NE2-SG 3.38Å
335L92.6Very high76.5Confident19 Ų1955.7 Ų55.710%0.09930%0.302CS..EExtended strand (participates in β ladder)trans-149.9166.7175.765.4159.3000111.3V242 A245 M256 K315 Y316 F318 V337V242-L335 HydrophobicContact CB-CD2 4.36Å; V242-L335 HydrophobicContact CG1-CD1 4.11Å; V242-L335 HydrophobicContact CG1-CD2 4.43Å; V242-L335 HydrophobicContact CG2-CD2 3.78Å; A245-L335 HydrophobicContact CB-CD1 4.15Å; M256-L335 HydrophobicContact CE-CD1 3.81Å; M256-L335 HydrophobicContact CE-CD2 3.83Å; M256-L335 HydrophobicContact CE-CG 4.25Å; K315-L335 WeakPolarHBondContact CA-O 3.44Å; Y316-L335 PolarHBondContact N-O 3.24Å; Y316-L335 PolarHBondContact O-N 3.27Å; F318-L335 HydrophobicContact CD2-CD2 4.14Å; F318-L335 HydrophobicContact CE2-CD2 3.73Å; L335-V337 HydrophobicContact CD1-CG2 4.28Å; L335-V337 HydrophobicContact CG-CG2 4.23Å
336V90.4Very high77.3Confident66 Ų6658.6 Ų58.640%0.432%0.32SS..EExtended strand (participates in β ladder)trans-88.1125.6166.8-179.90000108.2R313 N314 K315R313-V336 HydrophobicContact CB-CG1 4.09Å; N314-V336 WeakPolarHBondContact O-CA 3.28Å; K315-V336 HydrophobicContact CB-CG2 4.47Å
337V90.4Very high78.7Confident0 Ų052.4 Ų52.40%029%0.288CS..EExtended strand (participates in β ladder)trans-104.2131.6170-178.90000107.9Y248 C252 M256 F309 N314 Y316 L335Y248-V337 CarbonylContact O-C 3.57Å; Y248-V337 WeakPolarHBondContact O-CA 3.14Å; C252-V337 HydrophobicContact CB-CG1 3.65Å; M256-V337 HydrophobicContact CE-CG2 4.04Å; M256-V337 HydrophobicContact SD-CG2 4.12Å; F309-V337 HydrophobicContact CB-CG1 4.38Å; F309-V337 HydrophobicContact CD1-CG2 4.45Å; F309-V337 HydrophobicContact CD2-CG1 3.98Å; F309-V337 HydrophobicContact CE1-CG2 4.41Å; F309-V337 HydrophobicContact CG-CB 4.48Å; F309-V337 HydrophobicContact CG-CG1 4.03Å; N314-V337 PolarHBondContact N-O 3.49Å; N314-V337 PolarHBondContact O-N 3.01Å; Y316-V337 HydrophobicContact CD2-CB 3.74Å; Y316-V337 HydrophobicContact CD2-CG2 3.79Å; Y316-V337 HydrophobicContact CE2-CB 4.05Å; L335-V337 HydrophobicContact CD1-CG2 4.28Å; L335-V337 HydrophobicContact CG-CG2 4.23Å
338Y87.3Confident80.2Confident28 Ų2855 Ų5511%0.1130%0.295CS..EExtended strand (participates in β ladder)trans-99.3113167.8179.5-130.1000109.2Y248 K249 N250 G251 C252 G312 R313 R340Y248-Y338 PolarHBondContact O-N 2.63Å; K249-Y338 VanDerWaalsContact O-CB 3.26Å; K249-Y338 WeakPolarHBondContact O-CB 3.31Å; N250-Y338 WeakPolarHBondContact O-CD1 3.49Å; G251-Y338 CarbonylContact C-O 3.46Å; G251-Y338 WeakPolarHBondContact CA-O 3.33Å; C252-Y338 PolarHBondContact N-O 3.43Å; G312-Y338 WeakPolarHBondContact O-CA 3.43Å; G312-Y338 WeakPolarHBondContact O-CD2 3.48Å; R313-Y338 HydrophobicContact CG-CD2 3.45Å; R313-Y338 VanDerWaalsContact CG-CD2 3.45Å; R313-Y338 HydrophobicContact CG-CE2 4.25Å; R313-Y338 HydrophobicContact CG-CG 3.98Å; Y338-R340 HydrophobicContact CD1-CG 4.45Å; Y338-R340 HydrophobicContact CE1-CG 3.75Å
339R84.6Confident81.4Confident78 Ų7855.1 Ų55.129%0.29430%0.296SS..EExtended strand (participates in β ladder)trans-104127166.1-175.4-176178.5179.92.1108.6C306 S307 F309 G312 A341C306-R339 WeakPolarHBondContact O-CD 3.03Å; S307-R339 VanDerWaalsContact C-NH1 3.29Å; S307-R339 PolarHBondContact O-NH1 3.31Å; F309-R339 WeakPolarHBondContact O-CD 3.45Å; F309-R339 PolarHBondContact O-NH1 2.99Å; G312-R339 PolarHBondContact N-O 2.85Å; G312-R339 PolarHBondContact O-N 2.89Å; R339-A341 PolarHBondContact O-N 3.47Å
340R72.7Confident82.7Confident97 Ų9757 Ų5737%0.36630%0.299SS..  trans-70128.6173.6-56.5-177.1-157.81476.8109.1Y338 E342Y338-R340 HydrophobicContact CD1-CG 4.45Å; Y338-R340 HydrophobicContact CE1-CG 3.75Å; R340-E342 VanDerWaalsContact C-N 3.32Å; R340-E342 HydrophobicContact CB-CG 4.2Å; R340-E342 WeakPolarHBondContact CD-OE1 3.43Å; R340-E342 IonicContact NE-OE1 2.62Å; R340-E342 IonicContact NH1-OE1 3.64Å; R340-E342 PolarHBondContact NH1-OE1 3.46Å; R340-E342 PolarHBondContact O-N 3.38Å
341A62.8Low83.7Confident18 Ų1857.3 Ų57.315%0.14930%0.302CS..  trans-84.886158.700000107.3P311 R339 P371P311-A341 HydrophobicContact CB-CB 3.53Å; P311-A341 HydrophobicContact CG-CB 4.41Å; R339-A341 PolarHBondContact O-N 3.47Å; A341-P371 HydrophobicContact CB-CG 4.08Å
342E65.3Low83.9Confident57 Ų5763.3 Ų63.327%0.26634%0.338SS..  trans-103.573.4162.4-72.1174.4-128.700106.9R340R340-E342 VanDerWaalsContact C-N 3.32Å; R340-E342 HydrophobicContact CB-CG 4.2Å; R340-E342 WeakPolarHBondContact CD-OE1 3.43Å; R340-E342 IonicContact NE-OE1 2.62Å; R340-E342 IonicContact NH1-OE1 3.64Å; R340-E342 PolarHBondContact NH1-OE1 3.46Å; R340-E342 PolarHBondContact O-N 3.38Å
343S65.6Low83.9Confident59 Ų5960.1 Ų60.141%0.41333%0.326SS..EExtended strand (participates in β ladder)trans-109122.7172480000109L369S343-L369 VanDerWaalsContact O-CB 3.3Å; S343-L369 WeakPolarHBondContact O-CB 3.3Å; S343-L369 PolarHBondContact O-N 3Å
344W76.1Confident83.8Confident56 Ų5662.7 Ų62.721%0.21235%0.346CS..EExtended strand (participates in β ladder)trans-62.5137.8168.2-72.8109.2000110.4R366 C368 C379 I380 G381 M383W344-R366 HydrophobicContact CD2-CG 4.15Å; W344-R366 HydrophobicContact CE3-CB 4.35Å; W344-R366 HydrophobicContact CE3-CG 3.5Å; W344-R366 HydrophobicContact CZ3-CG 3.84Å; W344-C368 HydrophobicContact CZ3-CB 4.31Å; W344-C379 HydrophobicContact CD2-CB 3.81Å; W344-C379 VanDerWaalsContact CE2-CB 3.47Å; W344-C379 HydrophobicContact CE3-CB 4.05Å; W344-C379 HydrophobicContact CH2-CB 3.76Å; W344-C379 HydrophobicContact CZ2-CB 3.46Å; W344-C379 VanDerWaalsContact CZ2-CB 3.46Å; W344-C379 WeakPolarHBondContact CZ2-O 3.26Å; W344-C379 HydrophobicContact CZ3-CB 4.04Å; W344-I380 PolarHBondContact NE1-O 3.2Å; W344-G381 WeakPolarHBondContact CZ2-O 3.42Å; W344-M383 HydrophobicContact CH2-CB 3.99Å; W344-M383 HydrophobicContact CZ3-CB 4.24Å; W344-M383 HydrophobicContact CZ3-CG 4.46Å
345G76.2Confident83.5Confident11 Ų1162.5 Ų62.511%0.11335%0.348CS..EExtended strand (participates in β ladder)trans-67.9172.4165.400000111.7E367G345-E367 PolarHBondContact N-O 2.96Å
346P79.4Confident83Confident113 Ų11368.1 Ų68.173%0.73438%0.383SS*.EExtended strand (participates in β ladder)trans-56.8147.3168.428-34.8000109.9H348P346-H348 PolarHBondContact O-N 2.92Å
347W86.9Confident82.7Confident74 Ų7466.8 Ų66.828%0.2838%0.376SS..EExtended strand (participates in β ladder)trans-61.8136.2167.6-72109.6000109.9R364 V365 R366 E385W347-R364 HydrophobicContact CD2-CG 4.02Å; W347-R364 HydrophobicContact CE3-CB 4.16Å; W347-R364 HydrophobicContact CE3-CG 3.54Å; W347-R364 HydrophobicContact CZ3-CG 3.89Å; W347-V365 VanDerWaalsContact CE3-C 3.48Å; W347-R366 HydrophobicContact CD2-CB 3.98Å; W347-R366 HydrophobicContact CD2-CG 4.05Å; W347-R366 HydrophobicContact CE3-CB 3.61Å; W347-R366 HydrophobicContact CE3-CG 3.62Å; W347-R366 HydrophobicContact CH2-CG 3.79Å; W347-R366 HydrophobicContact CZ2-CG 4.21Å; W347-R366 HydrophobicContact CZ3-CB 3.99Å; W347-R366 HydrophobicContact CZ3-CG 3.49Å; W347-R366 VanDerWaalsContact CZ3-CG 3.49Å; W347-E385 HydrophobicContact CH2-CB 3.58Å; W347-E385 HydrophobicContact CZ2-CB 4.19Å; W347-E385 WeakPolarHBondContact CZ2-OE2 3.5Å; W347-E385 HydrophobicContact CZ3-CB 3.93Å
348H91.5Very high82.4Confident97 Ų9767.3 Ų67.345%0.44938%0.381SS..PPolyproline II helixtrans-60.1156.2161-72-81.1000110P346 V365P346-H348 PolarHBondContact O-N 2.92Å; H348-V365 WeakPolarHBondContact CB-O 3.1Å; H348-V365 PolarHBondContact CD2-O 3.27Å; H348-V365 VanDerWaalsContact CD2-O 3.27Å; H348-V365 PolarHBondContact N-O 3.23Å
349P89.9Confident82.4Confident114 Ų11474.3 Ų74.374%0.7442%0.415SS*.PPolyproline II helixtrans-53.4150.4168.225-35.2000110.6
350W92.3Very high82.7Confident69 Ų6970.8 Ų70.826%0.26140%0.403SS..PPolyproline II helixtrans-58.7145.9171.8-66.1100.3000110.6R362 E363 R364 E385 S387W350-R362 HydrophobicContact CB-CG 4.48Å; W350-R362 HydrophobicContact CD2-CG 4.2Å; W350-R362 HydrophobicContact CE3-CB 4.39Å; W350-R362 HydrophobicContact CE3-CG 3.77Å; W350-R362 HydrophobicContact CZ3-CG 4.38Å; W350-E363 CarbonylContact C-O 3.54Å; W350-E363 WeakPolarHBondContact CA-O 3.13Å; W350-R364 HydrophobicContact CD2-CB 3.96Å; W350-R364 HydrophobicContact CD2-CG 4.03Å; W350-R364 HydrophobicContact CE3-CB 3.75Å; W350-R364 HydrophobicContact CE3-CG 3.78Å; W350-R364 HydrophobicContact CG-CB 4.45Å; W350-R364 HydrophobicContact CH2-CG 3.75Å; W350-R364 HydrophobicContact CZ2-CG 4.02Å; W350-R364 HydrophobicContact CZ3-CB 4.1Å; W350-R364 HydrophobicContact CZ3-CG 3.63Å; W350-E385 HydrophobicContact CH2-CG 4.04Å; W350-S387 WeakPolarHBondContact CH2-OG 3.3Å; W350-S387 WeakPolarHBondContact CZ2-OG 3.3Å; W350-S387 WeakPolarHBondContact CZ3-OG 3.49Å
351S91.8Very high83.6Confident52 Ų5268.6 Ų68.636%0.36440%0.4SS..PPolyproline II helixtrans-59.8164.7165.9720000111.2E363S351-E363 PolarHBondContact N-O 2.88Å; S351-E363 PolarHBondContact OG-N 2.92Å
352V90.3Very high85Confident132 Ų13272 Ų7280%0.841%0.409SS*.PPolyproline II helixtrans-56.4153.6153.7-73.30000110.2
353C91.5Very high86.3Confident36 Ų3672.2 Ų72.224%0.24341%0.41CS..PPolyproline II helixtrans-68151.9177.5-50.60000110.8A355 A360 V361 C389 L391C353-A355 PolarHBondContact O-N 3.41Å; C353-A360 HydrophobicContact CB-CB 3.85Å; C353-V361 CarbonylContact C-O 3.5Å; C353-V361 WeakPolarHBondContact CA-O 3.43Å; C353-C389 HydrophobicContact CB-CB 3.71Å; C353-C389 WeakPolarHBondContact CB-SG 3.33Å; C353-C389 WeakPolarHBondContact SG-CB 3.46Å; C353-C389 CovalentContact SG-SG 2.04Å; C353-C389 PolarHBondContact SG-SG 2.86Å; C353-L391 HydrophobicContact CB-CD1 4.09Å
354S90.4Very high87.6Confident92 Ų9272.3 Ų72.364%0.64340%0.401SS*.SBendtrans-66.5-17.1-174.460.90000115.4V361S354-V361 WeakPolarHBondContact CB-O 3.44Å; S354-V361 PolarHBondContact N-O 2.94Å; S354-V361 PolarHBondContact OG-N 3.45Å
355A85.8Confident88.2Confident44 Ų4472.1 Ų72.136%0.36441%0.406SS..SBendtrans-135.8168.9173.500000109.3C353 A360 L391C353-A355 PolarHBondContact O-N 3.41Å; A355-A360 HydrophobicContact CB-CB 4.1Å; A355-L391 WeakPolarHBondContact O-CD1 3.42Å
356T83Confident88.7Confident137 Ų13773.7 Ų73.784%0.8441%0.409SS*.SBendtrans-98.4-8.1-179.4500000114.2L391T356-L391 VanDerWaalsContact C-CD1 3.5Å
357C82.4Confident88.8Confident39 Ų3974.1 Ų74.126%0.26440%0.401SS..SBendtrans-149.1159.5177.856.90000109.7E392 C394C357-E392 CarbonylContact C-O 3.57Å; C357-E392 WeakPolarHBondContact CA-O 3.29Å; C357-E392 WeakPolarHBondContact CB-O 3.31Å; C357-C394 HydrophobicContact CB-CB 3.95Å; C357-C394 WeakPolarHBondContact CB-SG 3.2Å; C357-C394 PolarHBondContact O-SG 2.86Å; C357-C394 VanDerWaalsContact SG-CA 3.59Å; C357-C394 WeakPolarHBondContact SG-CB 3.44Å; C357-C394 CovalentContact SG-SG 2.04Å; C357-C394 PolarHBondContact SG-SG 2.89Å
358G84.2Confident88.2Confident10 Ų1072.2 Ų72.210%0.10340%0.399CS..SBendtrans67.7-156.3179.800000115.1L391 E392G358-L391 PolarHBondContact O-N 3.43Å; G358-E392 PolarHBondContact N-O 2.62Å
359E88.4Confident87.2Confident176 Ų17671.9 Ų71.982%0.82240%0.399SS*.EExtended strand (participates in β ladder)trans-72.4127175.1-64.5-167.8158.500111.5
360A89.8Confident85.9Confident4 Ų469.6 Ų69.63%0.03338%0.381CS..EExtended strand (participates in β ladder)trans-140.4169.5-179.400000111.5C353 A355 L388 C389C353-A360 HydrophobicContact CB-CB 3.85Å; A355-A360 HydrophobicContact CB-CB 4.1Å; A360-L388 CarbonylContact O-C 3.45Å; A360-L388 WeakPolarHBondContact O-CA 3.34Å; A360-C389 HydrophobicContact CB-CB 4.21Å; A360-C389 PolarHBondContact N-O 2.96Å; A360-C389 PolarHBondContact O-N 2.77Å
361V91.9Very high84.2Confident50 Ų5068.2 Ų68.230%0.30338%0.381SS..EExtended strand (participates in β ladder)trans-116.8137.1176-178.60000109.7C353 S354 Q386 L388C353-V361 CarbonylContact C-O 3.5Å; C353-V361 WeakPolarHBondContact CA-O 3.43Å; S354-V361 WeakPolarHBondContact CB-O 3.44Å; S354-V361 PolarHBondContact N-O 2.94Å; S354-V361 PolarHBondContact OG-N 3.45Å; V361-Q386 HydrophobicContact CG1-CB 3.9Å; V361-Q386 HydrophobicContact CG1-CG 4.09Å; V361-L388 HydrophobicContact CG2-CD2 4.22Å
362R91.8Very high82.2Confident89 Ų8972.2 Ų72.234%0.33641%0.408SS..EExtended strand (participates in β ladder)trans-116152.8165.361.1176.3-172.2-174.5-4.5110.4W350 Q386 S387 C389W350-R362 HydrophobicContact CB-CG 4.48Å; W350-R362 HydrophobicContact CD2-CG 4.2Å; W350-R362 HydrophobicContact CE3-CB 4.39Å; W350-R362 HydrophobicContact CE3-CG 3.77Å; W350-R362 HydrophobicContact CZ3-CG 4.38Å; R362-Q386 WeakPolarHBondContact O-CA 3.33Å; R362-S387 WeakPolarHBondContact CG-O 3.49Å; R362-S387 WeakPolarHBondContact CG-OG 3.41Å; R362-S387 PolarHBondContact N-O 2.9Å; R362-S387 PolarHBondContact NE-OG 2.88Å; R362-S387 PolarHBondContact O-N 2.89Å; R362-C389 VanDerWaalsContact CG-SG 3.55Å
363E93.1Very high80.4Confident62 Ų6269.8 Ų69.829%0.2941%0.41SS..EExtended strand (participates in β ladder)trans-127.2142.9-170.7-42.2-163.9110.700110.6W350 S351 K384 E385 Q386W350-E363 CarbonylContact C-O 3.54Å; W350-E363 WeakPolarHBondContact CA-O 3.13Å; S351-E363 PolarHBondContact N-O 2.88Å; S351-E363 PolarHBondContact OG-N 2.92Å; E363-K384 WeakPolarHBondContact OE1-CE 3.5Å; E363-K384 IonicContact OE1-NZ 2.75Å; E363-K384 PolarHBondContact OE1-NZ 2.86Å; E363-K384 WeakPolarHBondContact OE2-CE 3.06Å; E363-K384 IonicContact OE2-NZ 2.69Å; E363-K384 PolarHBondContact OE2-NZ 3.02Å; E363-E385 CarbonylContact C-O 3.52Å; E363-E385 WeakPolarHBondContact CA-O 3.39Å; E363-Q386 HydrophobicContact CG-CG 4.19Å; E363-Q386 PolarHBondContact OE1-NE2 3Å
364R93.4Very high78.4Confident62 Ų6270.2 Ų70.223%0.23441%0.412CS..EExtended strand (participates in β ladder)trans-127.1149.6167.165.5176.3-179.2-163.5-7.7110.7W347 W350 K384 E385W347-R364 HydrophobicContact CD2-CG 4.02Å; W347-R364 HydrophobicContact CE3-CB 4.16Å; W347-R364 HydrophobicContact CE3-CG 3.54Å; W347-R364 HydrophobicContact CZ3-CG 3.89Å; W350-R364 HydrophobicContact CD2-CB 3.96Å; W350-R364 HydrophobicContact CD2-CG 4.03Å; W350-R364 HydrophobicContact CE3-CB 3.75Å; W350-R364 HydrophobicContact CE3-CG 3.78Å; W350-R364 HydrophobicContact CG-CB 4.45Å; W350-R364 HydrophobicContact CH2-CG 3.75Å; W350-R364 HydrophobicContact CZ2-CG 4.02Å; W350-R364 HydrophobicContact CZ3-CB 4.1Å; W350-R364 HydrophobicContact CZ3-CG 3.63Å; R364-K384 CarbonylContact O-C 3.53Å; R364-K384 WeakPolarHBondContact O-CA 3.32Å; R364-E385 HydrophobicContact CG-CB 3.94Å; R364-E385 IonicContact CZ-OE1 2.73Å; R364-E385 IonicContact CZ-OE2 2.7Å; R364-E385 PolarHBondContact N-O 3.17Å; R364-E385 VanDerWaalsContact NE-CD 3.31Å; R364-E385 IonicContact NE-OE1 3.31Å; R364-E385 IonicContact NE-OE2 2.7Å; R364-E385 PolarHBondContact NE-OE2 3.03Å; R364-E385 IonicContact NH2-OE1 3.6Å; R364-E385 PolarHBondContact NH2-OE1 3.15Å; R364-E385 IonicContact NH2-OE2 3.8Å; R364-E385 PolarHBondContact NH2-OE2 2.96Å; R364-E385 PolarHBondContact O-N 3.11Å
365V89Confident76.2Confident52 Ų5277.8 Ų77.832%0.31543%0.426SS..EExtended strand (participates in β ladder)trans-122.6152.9-179.61800000108.7W347 H348 M383 K384W347-V365 VanDerWaalsContact CE3-C 3.48Å; H348-V365 WeakPolarHBondContact CB-O 3.1Å; H348-V365 PolarHBondContact CD2-O 3.27Å; H348-V365 VanDerWaalsContact CD2-O 3.27Å; H348-V365 PolarHBondContact N-O 3.23Å; V365-M383 WeakPolarHBondContact CA-O 3.5Å; V365-M383 HydrophobicContact CG1-CE 4.14Å; V365-M383 HydrophobicContact CG1-CG 4.37Å; V365-K384 HydrophobicContact CG2-CB 4.45Å; V365-K384 HydrophobicContact CG2-CG 4.16Å
366R86.3Confident74.5Confident44 Ų4479.6 Ų79.617%0.16645%0.449CS..EExtended strand (participates in β ladder)trans-137.1143.1169.756.6179.2177.2178-3110.3W344 W347 M382 M383W344-R366 HydrophobicContact CD2-CG 4.15Å; W344-R366 HydrophobicContact CE3-CB 4.35Å; W344-R366 HydrophobicContact CE3-CG 3.5Å; W344-R366 HydrophobicContact CZ3-CG 3.84Å; W347-R366 HydrophobicContact CD2-CB 3.98Å; W347-R366 HydrophobicContact CD2-CG 4.05Å; W347-R366 HydrophobicContact CE3-CB 3.61Å; W347-R366 HydrophobicContact CE3-CG 3.62Å; W347-R366 HydrophobicContact CH2-CG 3.79Å; W347-R366 HydrophobicContact CZ2-CG 4.21Å; W347-R366 HydrophobicContact CZ3-CB 3.99Å; W347-R366 HydrophobicContact CZ3-CG 3.49Å; W347-R366 VanDerWaalsContact CZ3-CG 3.49Å; R366-M382 VanDerWaalsContact CZ-O 3.26Å; R366-M382 PolarHBondContact NE-O 3.09Å; R366-M382 PolarHBondContact NH2-O 2.89Å; R366-M383 PolarHBondContact N-O 2.95Å
367E80.3Confident73Confident122 Ų12275.4 Ų75.457%0.5742%0.424SS*.EExtended strand (participates in β ladder)trans-87.4153.9177-60.3-168.5152.100111.5G345G345-E367 PolarHBondContact N-O 2.96Å
368C75.2Confident71.9Confident34 Ų3480.8 Ų80.823%0.2345%0.445CS..EExtended strand (participates in β ladder)trans-90.7115.3173.6179.80000109W344 L370 C379W344-C368 HydrophobicContact CZ3-CB 4.31Å; C368-L370 VanDerWaalsContact C-N 3.3Å; C368-L370 PolarHBondContact O-N 3.25Å; C368-C379 VanDerWaalsContact CA-SG 3.52Å; C368-C379 HydrophobicContact CB-CB 3.74Å; C368-C379 WeakPolarHBondContact CB-SG 3.18Å; C368-C379 WeakPolarHBondContact SG-CB 3.36Å; C368-C379 PolarHBondContact SG-N 2.97Å; C368-C379 CovalentContact SG-SG 2.03Å; C368-C379 PolarHBondContact SG-SG 2.98Å
369L71.1Confident71.1Confident89 Ų8980.5 Ų80.547%0.46644%0.441SS..EExtended strand (participates in β ladder)trans-77.881.3-178.3-60.1176.9000110.4S343S343-L369 VanDerWaalsContact O-CB 3.3Å; S343-L369 WeakPolarHBondContact O-CB 3.3Å; S343-L369 PolarHBondContact O-N 3Å
370L62.1Low70.1Confident66 Ų6678.2 Ų78.235%0.34643%0.433SS..PPolyproline II helixtrans-78.6142178-68.4171.8000111.9C368 S372 T377C368-L370 VanDerWaalsContact C-N 3.3Å; C368-L370 PolarHBondContact O-N 3.25Å; L370-S372 PolarHBondContact O-N 2.87Å; L370-T377 WeakPolarHBondContact CD2-O 3.33Å; L370-T377 WeakPolarHBondContact CD2-OG1 3.24Å
371P57.1Low69.1Low41 Ų4180.6 Ų80.627%0.26646%0.458SS..PPolyproline II helixtrans-71.3130.5172.130.3-31.9000110A341 G373 V374A341-P371 HydrophobicContact CB-CG 4.08Å; P371-G373 PolarHBondContact O-N 3.06Å; P371-V374 HydrophobicContact CG-CG2 4.18Å; P371-V374 PolarHBondContact O-N 2.8Å
372S48.7Very low68.2Low135 Ų13584.7 Ų84.794%0.94448%0.476SS*.THydrogen-bonded Turntrans-49118.6-174.6-56.60000113L370L370-S372 PolarHBondContact O-N 2.87Å
373G52.8Low67.7Low81 Ų8185.1 Ų85.184%0.83548%0.483SS*.THydrogen-bonded Turntrans118.1-17.7179.100000114.8P371 R375P371-G373 PolarHBondContact O-N 3.06Å; G373-R375 PolarHBondContact O-N 2.92Å
374V48.8Very low67.4Low46 Ų4686.9 Ų86.928%0.27949%0.489SS..  trans-89.8103.1174.9-173.80000110.3P371 T377P371-V374 HydrophobicContact CG-CG2 4.18Å; P371-V374 PolarHBondContact O-N 2.8Å; V374-T377 HydrophobicContact CG1-CG2 4.21Å; V374-T377 WeakPolarHBondContact CG1-OG1 3.39Å
375R44.2Very low67.4Low250 Ų25086.6 Ų86.694%0.94349%0.491SS*.  trans-93.7130.9163.2-76.2-169.9-77.2-152.7-2.5109.4G373G373-R375 PolarHBondContact O-N 2.92Å
376G50Low67.6Low82 Ų8290.1 Ų90.185%0.84550%0.503SS*.SBendtrans113.70.1166.700000117.7
377T51.7Low67.8Low50 Ų5089.4 Ų89.431%0.30751%0.505SS..  trans-104.4122.3172.350.20000110.6L370 V374L370-T377 WeakPolarHBondContact CD2-O 3.33Å; L370-T377 WeakPolarHBondContact CD2-OG1 3.24Å; V374-T377 HydrophobicContact CG1-CG2 4.21Å; V374-T377 WeakPolarHBondContact CG1-OG1 3.39Å
378Q59.8Low68.2Low151 Ų15189.7 Ų89.771%0.70651%0.51SS*.PPolyproline II helixtrans-97.9133.3176.1-169.6167.97.900109.4
379C68.6Low68.8Low4 Ų488.8 Ų88.83%0.02750%0.504CS..PPolyproline II helixtrans-58.8138.4178.6-75.50000110.9W344 C368 G381W344-C379 HydrophobicContact CD2-CB 3.81Å; W344-C379 VanDerWaalsContact CE2-CB 3.47Å; W344-C379 HydrophobicContact CE3-CB 4.05Å; W344-C379 HydrophobicContact CH2-CB 3.76Å; W344-C379 HydrophobicContact CZ2-CB 3.46Å; W344-C379 VanDerWaalsContact CZ2-CB 3.46Å; W344-C379 WeakPolarHBondContact CZ2-O 3.26Å; W344-C379 HydrophobicContact CZ3-CB 4.04Å; C368-C379 VanDerWaalsContact CA-SG 3.52Å; C368-C379 HydrophobicContact CB-CB 3.74Å; C368-C379 WeakPolarHBondContact CB-SG 3.18Å; C368-C379 WeakPolarHBondContact SG-CB 3.36Å; C368-C379 PolarHBondContact SG-N 2.97Å; C368-C379 CovalentContact SG-SG 2.03Å; C368-C379 PolarHBondContact SG-SG 2.98Å; C379-G381 PolarHBondContact O-N 3.33Å
380I66.1Low69.3Low129 Ų12989.7 Ų89.766%0.66252%0.518SS*.SBendtrans-68.7124.2178.3-62.8168.6000110.7W344W344-I380 PolarHBondContact NE1-O 3.2Å
381G68.5Low70.2Confident53 Ų5389.4 Ų89.455%0.54652%0.516SS..SBendtrans124.6178.3178.900000113.1W344 C379 M383W344-G381 WeakPolarHBondContact CZ2-O 3.42Å; C379-G381 PolarHBondContact O-N 3.33Å; G381-M383 PolarHBondContact O-N 2.84Å
382M74.2Confident71.3Confident137 Ų13795.9 Ų95.968%0.67554%0.543SS*.  trans-70.4127.3178.1-61.1-174.5-17500111.3R366R366-M382 VanDerWaalsContact CZ-O 3.26Å; R366-M382 PolarHBondContact NE-O 3.09Å; R366-M382 PolarHBondContact NH2-O 2.89Å
383M81.3Confident72.5Confident98 Ų9896.3 Ų96.348%0.48354%0.535SS..SBendtrans-75.4-28.6170.5178.1179.6171.300112.2W344 V365 R366 G381W344-M383 HydrophobicContact CH2-CB 3.99Å; W344-M383 HydrophobicContact CZ3-CB 4.24Å; W344-M383 HydrophobicContact CZ3-CG 4.46Å; V365-M383 WeakPolarHBondContact CA-O 3.5Å; V365-M383 HydrophobicContact CG1-CE 4.14Å; V365-M383 HydrophobicContact CG1-CG 4.37Å; R366-M383 PolarHBondContact N-O 2.95Å; G381-M383 PolarHBondContact O-N 2.84Å
384K86.9Confident73.6Confident98 Ų9895.1 Ų95.143%0.42651%0.513SS..EExtended strand (participates in β ladder)trans-128.8135.5-176.4-175.7-178.9-173.7-171.20108.8E363 R364 V365E363-K384 WeakPolarHBondContact OE1-CE 3.5Å; E363-K384 IonicContact OE1-NZ 2.75Å; E363-K384 PolarHBondContact OE1-NZ 2.86Å; E363-K384 WeakPolarHBondContact OE2-CE 3.06Å; E363-K384 IonicContact OE2-NZ 2.69Å; E363-K384 PolarHBondContact OE2-NZ 3.02Å; R364-K384 CarbonylContact O-C 3.53Å; R364-K384 WeakPolarHBondContact O-CA 3.32Å; V365-K384 HydrophobicContact CG2-CB 4.45Å; V365-K384 HydrophobicContact CG2-CG 4.16Å
385E92.6Very high74.6Confident57 Ų57101.1 Ų101.127%0.26654%0.543SS..EExtended strand (participates in β ladder)trans-125.2138.5178.4-176.5-173.1150.700108.8W347 W350 E363 R364W347-E385 HydrophobicContact CH2-CB 3.58Å; W347-E385 HydrophobicContact CZ2-CB 4.19Å; W347-E385 WeakPolarHBondContact CZ2-OE2 3.5Å; W347-E385 HydrophobicContact CZ3-CB 3.93Å; W350-E385 HydrophobicContact CH2-CG 4.04Å; E363-E385 CarbonylContact C-O 3.52Å; E363-E385 WeakPolarHBondContact CA-O 3.39Å; R364-E385 HydrophobicContact CG-CB 3.94Å; R364-E385 IonicContact CZ-OE1 2.73Å; R364-E385 IonicContact CZ-OE2 2.7Å; R364-E385 PolarHBondContact N-O 3.17Å; R364-E385 VanDerWaalsContact NE-CD 3.31Å; R364-E385 IonicContact NE-OE1 3.31Å; R364-E385 IonicContact NE-OE2 2.7Å; R364-E385 PolarHBondContact NE-OE2 3.03Å; R364-E385 IonicContact NH2-OE1 3.6Å; R364-E385 PolarHBondContact NH2-OE1 3.15Å; R364-E385 IonicContact NH2-OE2 3.8Å; R364-E385 PolarHBondContact NH2-OE2 2.96Å; R364-E385 PolarHBondContact O-N 3.11Å
386Q92.8Very high74.9Confident125 Ų12597.5 Ų97.558%0.58454%0.539SS*.EExtended strand (participates in β ladder)trans-111.3142.2176.7-69.9177.7-31.900109V361 R362 E363V361-Q386 HydrophobicContact CG1-CB 3.9Å; V361-Q386 HydrophobicContact CG1-CG 4.09Å; R362-Q386 WeakPolarHBondContact O-CA 3.33Å; E363-Q386 HydrophobicContact CG-CG 4.19Å; E363-Q386 PolarHBondContact OE1-NE2 3Å
387S91.2Very high74.8Confident29 Ų29101.6 Ų101.620%0.20354%0.541CS..EExtended strand (participates in β ladder)trans-136.8150.4167.760.10000110.3W350 R362W350-S387 WeakPolarHBondContact CH2-OG 3.3Å; W350-S387 WeakPolarHBondContact CZ2-OG 3.3Å; W350-S387 WeakPolarHBondContact CZ3-OG 3.49Å; R362-S387 WeakPolarHBondContact CG-O 3.49Å; R362-S387 WeakPolarHBondContact CG-OG 3.41Å; R362-S387 PolarHBondContact N-O 2.9Å; R362-S387 PolarHBondContact NE-OG 2.88Å; R362-S387 PolarHBondContact O-N 2.89Å
388L89.6Confident74.3Confident129 Ų129103.9 Ų103.968%0.67556%0.559SS**EExtended strand (participates in β ladder)trans-69.8140.7175.2-66.5167.8000110.4A360 V361A360-L388 CarbonylContact O-C 3.45Å; A360-L388 WeakPolarHBondContact O-CA 3.34Å; V361-L388 HydrophobicContact CG2-CD2 4.22Å
389C87.7Confident73.4Confident14 Ų14102.1 Ų102.110%0.09556%0.564CS.*EExtended strand (participates in β ladder)trans-101.6134.7155.7-57.30000107.7C353 A360 R362 L391C353-C389 HydrophobicContact CB-CB 3.71Å; C353-C389 WeakPolarHBondContact CB-SG 3.33Å; C353-C389 WeakPolarHBondContact SG-CB 3.46Å; C353-C389 CovalentContact SG-SG 2.04Å; C353-C389 PolarHBondContact SG-SG 2.86Å; A360-C389 HydrophobicContact CB-CB 4.21Å; A360-C389 PolarHBondContact N-O 2.96Å; A360-C389 PolarHBondContact O-N 2.77Å; R362-C389 VanDerWaalsContact CG-SG 3.55Å; C389-L391 HydrophobicContact CB-CG 4.45Å
390S81.4Confident72.2Confident109 Ų109107.4 Ų107.476%0.76260%0.598SS**EExtended strand (participates in β ladder)trans-96.5124.1152.5176.30000106.7
391L79.6Confident70.9Confident59 Ų59106.8 Ų106.831%0.30961%0.605SS.*  trans-110.2169.7166.4-61.9178.4000108.5C353 A355 T356 G358 C389 D393C353-L391 HydrophobicContact CB-CD1 4.09Å; A355-L391 WeakPolarHBondContact O-CD1 3.42Å; T356-L391 VanDerWaalsContact C-CD1 3.5Å; G358-L391 PolarHBondContact O-N 3.43Å; C389-L391 HydrophobicContact CB-CG 4.45Å; L391-D393 PolarHBondContact O-N 3.42Å
392E81.1Confident70Confident178 Ų178109.7 Ų109.783%0.83261%0.614SS**SBendtrans-55.1138175.4-64.3172141.800110.2C357 G358C357-E392 CarbonylContact C-O 3.57Å; C357-E392 WeakPolarHBondContact CA-O 3.29Å; C357-E392 WeakPolarHBondContact CB-O 3.31Å; G358-E392 PolarHBondContact N-O 2.62Å
393D73.5Confident68.1Low143 Ų143108.5 Ų108.577%0.76562%0.619SS**PPolyproline II helixtrans-60.8143.8-172.9-71-57.2000112.3L391 D395L391-D393 PolarHBondContact O-N 3.42Å; D393-D395 PolarHBondContact O-N 3Å
394C76Confident66Low57 Ų57111.6 Ų111.639%0.38564%0.637SS.*PPolyproline II helixtrans-71.8116.1179.5-56.90000110.9C357 M396C357-C394 HydrophobicContact CB-CB 3.95Å; C357-C394 WeakPolarHBondContact CB-SG 3.2Å; C357-C394 PolarHBondContact O-SG 2.86Å; C357-C394 VanDerWaalsContact SG-CA 3.59Å; C357-C394 WeakPolarHBondContact SG-CB 3.44Å; C357-C394 CovalentContact SG-SG 2.04Å; C357-C394 PolarHBondContact SG-SG 2.89Å; C394-M396 PolarHBondContact O-N 2.95Å
395D69.4Low64Low171 Ų171112 Ų11291%0.91465%0.65SS**  trans-60.395.7175-88.7-39.3000112.1D393 L397D393-D395 PolarHBondContact O-N 3Å; D395-L397 PolarHBondContact O-N 2.89Å
396M51.8Low61.3Low175 Ų175114.3 Ų114.386%0.86267%0.672SS**  trans-90.888.3-176.5-82.3-75.4-15900112.2C394 S398C394-M396 PolarHBondContact O-N 2.95Å; M396-S398 PolarHBondContact O-N 3.37Å
397L46.8Very low58.4Low167 Ų167115.1 Ų115.187%0.87469%0.685SS**  trans-74.687.5165.7-80173.7000111.7D395D395-L397 PolarHBondContact O-N 2.89Å
398S41.5Very low56Low98 Ų98119.6 Ų119.669%0.68571%0.714SS**  trans44.3104.8150620000119.9M396M396-S398 PolarHBondContact O-N 3.37Å
399S40.5Very low53.2Low115 Ų115122.8 Ų122.880%0.80473%0.725SS**  50.5147.2116.8-1430000120.8
400P43.5Very low50.6Low114 Ų114125.8 Ų125.874%0.7476%0.759SS**  cis-137.1176.715.742.6-25.1000116.6
401S39.8Very low48.2Very low117 Ų117124.9 Ų124.982%0.81876%0.758SS**  trans-84.6150.1164.2-53.30000111.8
402P47.9Very low46.6Very low113 Ų113127.7 Ų127.773%0.73478%0.782SS**  -146.9152.9117.936.6-21.1000117
403S36.2Very low45Very low113 Ų113124.1 Ų124.179%0.7978%0.775SS**  trans17.1140154.558.50000124.7
404L36.8Very low43.4Very low162 Ų162125.6 Ų125.685%0.84878%0.782SS**  trans-46.5168.3150.8-81.8116.5000114.6
405P43.9Very low42.2Very low107 Ų107127.1 Ų127.170%0.69581%0.806SS**  cis-141.7179.221.141.3-21.8000119
406S36.3Very low41.5Very low106 Ų106122.1 Ų122.174%0.74180%0.795SS**  trans63.3128.1150.2600000122.1
407V32.6Very low42Very low141 Ų141119.5 Ų119.586%0.85579%0.785SS**  trans-144145.3169.61770000108.6
408P40Very low42.6Very low124 Ų124118.6 Ų118.681%0.80578%0.778SS**  trans-98.6-167.2-165.840.3-38.7000115.9
409E30.8Very low43.5Very low195 Ų195121 Ų12191%0.91178%0.782SS**  trans-76.5150.4-170.9-61.1168.191.200116.4
410G34.1Very low44.5Very low78 Ų78119.4 Ų119.480%0.80477%0.767SS**  trans95.5148.6153.200000117.6
411A30Very low45.6Very low89 Ų89118.6 Ų118.674%0.73676%0.76SS**  cis-163.6138.4-1300000112.8
412S45.7Very low47Very low118 Ų118118.6 Ų118.683%0.82575%0.75SS**  trans64.2175.5160.684.50000117.5
413P47.5Very low48.1Very low104 Ų104115.1 Ų115.168%0.67574%0.735SS**  cis-126.5153.2-14.738.3-24.9000114
414L40.8Very low50.1Low174 Ų174114.6 Ų114.691%0.91172%0.722SS**  -169.4109.1128-129.468.2000111
415G50.4Low51.9Low88 Ų88110.5 Ų110.591%0.90771%0.707SS**  trans-85.2118.3172.300000110.8
416G54.8Low53.8Low66 Ų66111.2 Ų111.268%0.6870%0.704SS**  trans175.873.4179.100000114.7
417N63.1Low55.8Low121 Ų121109.6 Ų109.665%0.64769%0.692SS**SBendtrans173.5-6.9148.3-92.1-29.7000114.9I419 V420 V421N417-I419 PolarHBondContact O-N 2.9Å; N417-I419 VanDerWaalsContact O-N 3.12Å; N417-V420 PolarHBondContact O-N 2.83Å; N417-V421 PolarHBondContact O-N 3.15Å
418M57.8Low58.3Low148 Ų148107.8 Ų107.873%0.72968%0.677SS**Hα-helixtrans-53.9-33.7176.9-73.7-69.3-8200113.7V420 V421 L422M418-V420 VanDerWaalsContact C-N 3.31Å; M418-V420 PolarHBondContact O-N 2.93Å; M418-V421 PolarHBondContact O-N 3.37Å; M418-L422 WeakPolarHBondContact O-CB 3.28Å; M418-L422 PolarHBondContact O-N 3.31Å
419I61.8Low60.3Low149 Ų149104.6 Ų104.676%0.76466%0.661SS**Hα-helixtrans-62.4-36.8177.3-62.7170.2000111.6N417 G423N417-I419 PolarHBondContact O-N 2.9Å; N417-I419 VanDerWaalsContact O-N 3.12Å; I419-G423 PolarHBondContact O-N 2.91Å
420V61.5Low63.1Low80 Ų8099.3 Ų99.349%0.48564%0.642SS.*Hα-helixtrans-71.1-42.2-179.4-176.40000110.7N417 M418 G423 I424N417-V420 PolarHBondContact O-N 2.83Å; M418-V420 VanDerWaalsContact C-N 3.31Å; M418-V420 PolarHBondContact O-N 2.93Å; V420-G423 PolarHBondContact O-N 2.71Å; V420-I424 HydrophobicContact CG1-CD1 3.99Å; V420-I424 WeakPolarHBondContact O-CG1 3.43Å; V420-I424 PolarHBondContact O-N 3.41Å
421V64.9Low65.6Low98 Ų9899.7 Ų99.759%0.59463%0.625SS**Hα-helixtrans-65.8-43.2177.6-1780000111.1N417 M418 I424 S425N417-V421 PolarHBondContact O-N 3.15Å; M418-V421 PolarHBondContact O-N 3.37Å; V421-I424 PolarHBondContact O-N 3.3Å; V421-S425 WeakPolarHBondContact O-CB 3.42Å; V421-S425 PolarHBondContact O-N 3.48Å
422L69.2Low68.1Low117 Ų117101.4 Ų101.461%0.61362%0.619SS**Hα-helixtrans-61.5-42.4172.4-84.1161.3000112.1M418 S425 L426M418-L422 WeakPolarHBondContact O-CB 3.28Å; M418-L422 PolarHBondContact O-N 3.31Å; L422-S425 PolarHBondContact O-N 3.44Å; L422-L426 VanDerWaalsContact O-CB 3.31Å; L422-L426 WeakPolarHBondContact O-CB 3.32Å; L422-L426 PolarHBondContact O-N 2.92Å
423G72.8Confident69.7Low40 Ų4098.3 Ų98.341%0.41260%0.601SS.*Hα-helixtrans-62.4-43.1177.300000113.5I419 V420 C427I419-G423 PolarHBondContact O-N 2.91Å; V420-G423 PolarHBondContact O-N 2.71Å; G423-C427 VanDerWaalsContact O-CB 3.31Å; G423-C427 WeakPolarHBondContact O-CB 3.34Å; G423-C427 PolarHBondContact O-N 2.87Å
424I77.3Confident71.3Confident101 Ų10197.1 Ų97.152%0.51859%0.591SS.*Hα-helixtrans-66.2-44.7176.4-67.1165.8000110.6V420 V421 C427 L428V420-I424 HydrophobicContact CG1-CD1 3.99Å; V420-I424 WeakPolarHBondContact O-CG1 3.43Å; V420-I424 PolarHBondContact O-N 3.41Å; V421-I424 PolarHBondContact O-N 3.3Å; I424-C427 PolarHBondContact O-N 2.87Å; I424-L428 HydrophobicContact CG2-CD1 4.21Å; I424-L428 WeakPolarHBondContact O-CG 3.3Å; I424-L428 PolarHBondContact O-N 2.9Å
425S74.9Confident73.3Confident77 Ų7792.4 Ų92.454%0.53857%0.57SS.*Hα-helixtrans-59.3-47.5176.9-174.80000112V421 L422 C427 L428 A429V421-S425 WeakPolarHBondContact O-CB 3.42Å; V421-S425 PolarHBondContact O-N 3.48Å; L422-S425 PolarHBondContact O-N 3.44Å; S425-C427 PolarHBondContact O-N 2.84Å; S425-L428 PolarHBondContact O-N 3.17Å; S425-A429 PolarHBondContact O-N 2.74Å
426L83.8Confident74.6Confident122 Ų12292 Ų9264%0.63955%0.549SS*.Hα-helixtrans-62.5-40.8177.5-170.969.8000112L422 A429 V430L422-L426 VanDerWaalsContact O-CB 3.31Å; L422-L426 WeakPolarHBondContact O-CB 3.32Å; L422-L426 PolarHBondContact O-N 2.92Å; L426-A429 PolarHBondContact O-N 3.49Å; L426-V430 WeakPolarHBondContact O-CG2 3.27Å; L426-V430 PolarHBondContact O-N 3.01Å
427C79.1Confident75.6Confident72 Ų7292.4 Ų92.449%0.48654%0.538SS..Hα-helixtrans-62.4-45.7177.8-169.80000111.9G423 I424 S425 A429 V430 I431G423-C427 VanDerWaalsContact O-CB 3.31Å; G423-C427 WeakPolarHBondContact O-CB 3.34Å; G423-C427 PolarHBondContact O-N 2.87Å; I424-C427 PolarHBondContact O-N 2.87Å; S425-C427 PolarHBondContact O-N 2.84Å; C427-A429 PolarHBondContact O-N 2.89Å; C427-V430 PolarHBondContact O-N 2.82Å; C427-I431 WeakPolarHBondContact O-CG1 3.33Å; C427-I431 PolarHBondContact O-N 3.24Å
428L84.5Confident76.1Confident103 Ų10390.9 Ų90.954%0.53953%0.534SS..Hα-helixtrans-64.1-39176.3-66.7173.7000112.1I424 S425 I431 M432I424-L428 HydrophobicContact CG2-CD1 4.21Å; I424-L428 WeakPolarHBondContact O-CG 3.3Å; I424-L428 PolarHBondContact O-N 2.9Å; S425-L428 PolarHBondContact O-N 3.17Å; L428-I431 PolarHBondContact O-N 2.95Å; L428-M432 WeakPolarHBondContact O-CG 3.06Å; L428-M432 PolarHBondContact O-N 3.49Å
429A82.8Confident76.9Confident57 Ų5787.5 Ų87.547%0.47152%0.521SS..Hα-helixtrans-62.1-42.7175.100000112.5S425 L426 C427 M432 A433S425-A429 PolarHBondContact O-N 2.74Å; L426-A429 PolarHBondContact O-N 3.49Å; C427-A429 PolarHBondContact O-N 2.89Å; A429-M432 PolarHBondContact O-N 3.07Å; A429-A433 WeakPolarHBondContact O-CB 3.18Å; A429-A433 PolarHBondContact O-N 2.68Å
430V88.3Confident77.2Confident84 Ų8488.6 Ų88.651%0.50952%0.516SS..Hα-helixtrans-64.5-42.5175.7171.80000111.4L426 C427 A433 T434L426-V430 WeakPolarHBondContact O-CG2 3.27Å; L426-V430 PolarHBondContact O-N 3.01Å; C427-V430 PolarHBondContact O-N 2.82Å; V430-A433 PolarHBondContact O-N 3.26Å; V430-T434 WeakPolarHBondContact O-CG2 3.37Å; V430-T434 PolarHBondContact O-N 3.12Å; V430-T434 PolarHBondContact O-OG1 2.84Å
431I87Confident77.3Confident86 Ų8693.5 Ų93.544%0.44153%0.526SS..Hα-helixtrans-59.1-50.8176.2-68.2164.6000110.2C427 L428 A433 T434 V435C427-I431 WeakPolarHBondContact O-CG1 3.33Å; C427-I431 PolarHBondContact O-N 3.24Å; L428-I431 PolarHBondContact O-N 2.95Å; I431-A433 VanDerWaalsContact C-N 3.33Å; I431-A433 PolarHBondContact O-N 2.72Å; I431-T434 PolarHBondContact O-N 2.94Å; I431-T434 VanDerWaalsContact O-N 3.17Å; I431-T434 PolarHBondContact O-OG1 2.76Å; I431-V435 PolarHBondContact O-N 3.08Å
432M81.9Confident77Confident125 Ų12597.6 Ų97.662%0.61654%0.535SS*.Hα-helixtrans-59.5-41.8177.3-70.2-61.3-68.800112.4L428 A429 T434 V435 V436L428-M432 WeakPolarHBondContact O-CG 3.06Å; L428-M432 PolarHBondContact O-N 3.49Å; A429-M432 PolarHBondContact O-N 3.07Å; M432-T434 PolarHBondContact O-N 2.84Å; M432-V435 PolarHBondContact O-N 2.73Å; M432-V436 WeakPolarHBondContact O-CG2 3.47Å; M432-V436 PolarHBondContact O-N 2.92Å
433A80.5Confident76.5Confident53 Ų5398.7 Ų98.744%0.43854%0.541SS..Hα-helixtrans-61.6-41.5175.900000112.4A429 V430 I431 V436 V437A429-A433 WeakPolarHBondContact O-CB 3.18Å; A429-A433 PolarHBondContact O-N 2.68Å; V430-A433 PolarHBondContact O-N 3.26Å; I431-A433 VanDerWaalsContact C-N 3.33Å; I431-A433 PolarHBondContact O-N 2.72Å; A433-V436 PolarHBondContact O-N 3.06Å; A433-V437 WeakPolarHBondContact O-CB 3.3Å; A433-V437 WeakPolarHBondContact O-CG2 3.41Å; A433-V437 PolarHBondContact O-N 2.69Å
434T80.7Confident75.5Confident78 Ų78100.4 Ų100.448%0.47955%0.546SS..Hα-helixtrans-67.5-34.5176.2590000113.2V430 I431 M432 T438V430-T434 WeakPolarHBondContact O-CG2 3.37Å; V430-T434 PolarHBondContact O-N 3.12Å; V430-T434 PolarHBondContact O-OG1 2.84Å; I431-T434 PolarHBondContact O-N 2.94Å; I431-T434 VanDerWaalsContact O-N 3.17Å; I431-T434 PolarHBondContact O-OG1 2.76Å; M432-T434 PolarHBondContact O-N 2.84Å; T434-T438 WeakPolarHBondContact O-CB 3.27Å; T434-T438 WeakPolarHBondContact O-CG2 3.37Å; T434-T438 PolarHBondContact O-N 2.89Å; T434-T438 PolarHBondContact O-OG1 2.85Å
435V82.4Confident74.1Confident76 Ų76103.7 Ų103.746%0.46156%0.559SS.*Hα-helixtrans-64.5-47.2172.1174.10000110.5I431 M432 V437 T438 V439I431-V435 PolarHBondContact O-N 3.08Å; M432-V435 PolarHBondContact O-N 2.73Å; V435-V437 PolarHBondContact O-N 2.95Å; V435-T438 PolarHBondContact O-N 2.82Å; V435-T438 PolarHBondContact O-OG1 2.96Å; V435-V439 WeakPolarHBondContact O-CB 3.35Å; V435-V439 WeakPolarHBondContact O-CG2 3.24Å; V435-V439 PolarHBondContact O-N 2.96Å
436V78.2Confident72.7Confident79 Ų79105.9 Ų105.948%0.47957%0.57SS.*Hα-helixtrans-61.1-46.2176.7173.10000111.4M432 A433 T438 V439 W440M432-V436 WeakPolarHBondContact O-CG2 3.47Å; M432-V436 PolarHBondContact O-N 2.92Å; A433-V436 PolarHBondContact O-N 3.06Å; V436-T438 PolarHBondContact O-N 2.89Å; V436-V439 PolarHBondContact O-N 3.15Å; V436-W440 HydrophobicContact CG1-CE3 4.37Å; V436-W440 VanDerWaalsContact O-CB 3.29Å; V436-W440 WeakPolarHBondContact O-CB 3.47Å; V436-W440 PolarHBondContact O-N 3.17Å
437V75.9Confident71Confident74 Ų74105.8 Ų105.845%0.44858%0.576SS.*Hα-helixtrans-66-37.1179.41700000112.4A433 V435 R441A433-V437 WeakPolarHBondContact O-CB 3.3Å; A433-V437 WeakPolarHBondContact O-CG2 3.41Å; A433-V437 PolarHBondContact O-N 2.69Å; V435-V437 PolarHBondContact O-N 2.95Å; V437-R441 HydrophobicContact CG1-CG 4.44Å; V437-R441 WeakPolarHBondContact O-CB 3.45Å; V437-R441 WeakPolarHBondContact O-CG 3.46Å; V437-R441 PolarHBondContact O-N 3.18Å
438T73.9Confident68.8Low89 Ų89111.5 Ų111.555%0.54660%0.596SS.*Hα-helixtrans-71.4-37.8176.949.40000112.2T434 V435 V436 K442T434-T438 WeakPolarHBondContact O-CB 3.27Å; T434-T438 WeakPolarHBondContact O-CG2 3.37Å; T434-T438 PolarHBondContact O-N 2.89Å; T434-T438 PolarHBondContact O-OG1 2.85Å; V435-T438 PolarHBondContact O-N 2.82Å; V435-T438 PolarHBondContact O-OG1 2.96Å; V436-T438 PolarHBondContact O-N 2.89Å; T438-K442 PolarHBondContact O-N 3.13Å; T438-K442 VanDerWaalsContact O-N 3.16Å
439V74Confident66.5Low77 Ų77112.1 Ų112.147%0.46761%0.608SS.*Hα-helixtrans-64.3-46.4171.4169.80000111.1V435 V436 K442 L443V435-V439 WeakPolarHBondContact O-CB 3.35Å; V435-V439 WeakPolarHBondContact O-CG2 3.24Å; V435-V439 PolarHBondContact O-N 2.96Å; V436-V439 PolarHBondContact O-N 3.15Å; V439-K442 WeakPolarHBondContact O-CB 3.39Å; V439-K442 PolarHBondContact O-N 2.92Å; V439-K442 VanDerWaalsContact O-N 3.07Å; V439-L443 HydrophobicContact CG1-CD1 3.72Å; V439-L443 PolarHBondContact O-N 3.35Å
440W66.8Low64.2Low173 Ų173114.9 Ų114.966%0.65562%0.623SS**Hα-helixtrans-63.3-43.7179.1-157.2-57.2000111.9V436 K442 L443 C444V436-W440 HydrophobicContact CG1-CE3 4.37Å; V436-W440 VanDerWaalsContact O-CB 3.29Å; V436-W440 WeakPolarHBondContact O-CB 3.47Å; V436-W440 PolarHBondContact O-N 3.17Å; W440-K442 PolarHBondContact O-N 2.75Å; W440-L443 PolarHBondContact O-N 2.79Å; W440-C444 PolarHBondContact NE1-SG 3.3Å; W440-C444 WeakPolarHBondContact O-CB 3.46Å; W440-C444 PolarHBondContact O-N 3.11Å
441R63.6Low61.7Low183 Ų183115.6 Ų115.669%0.69163%0.632SS**Hα-helixtrans-60.8-29.2172.9-78.6-177.4180-172.31.8112.9V437V437-R441 HydrophobicContact CG1-CG 4.44Å; V437-R441 WeakPolarHBondContact O-CB 3.45Å; V437-R441 WeakPolarHBondContact O-CG 3.46Å; V437-R441 PolarHBondContact O-N 3.18Å
442K59.5Low59.2Low183 Ų183117.9 Ų117.980%0.79665%0.649SS**Hα-helixtrans-81.2-23.6177.1-128.7-171-179-169.70113.9T438 V439 W440T438-K442 PolarHBondContact O-N 3.13Å; T438-K442 VanDerWaalsContact O-N 3.16Å; V439-K442 WeakPolarHBondContact O-CB 3.39Å; V439-K442 PolarHBondContact O-N 2.92Å; V439-K442 VanDerWaalsContact O-N 3.07Å; W440-K442 PolarHBondContact O-N 2.75Å
443L57.8Low56.7Low141 Ų141118.9 Ų118.974%0.73865%0.652SS**Hα-helixtrans-99.2-21.3-177.3-73.6167.6000114V439 W440V439-L443 HydrophobicContact CG1-CD1 3.72Å; V439-L443 PolarHBondContact O-N 3.35Å; W440-L443 PolarHBondContact O-N 2.79Å
444C51.8Low54.4Low75 Ų75126.6 Ų126.651%0.50767%0.67SS.*  trans-10715.5-177.9-64.80000115.1W440 T446W440-C444 PolarHBondContact NE1-SG 3.3Å; W440-C444 WeakPolarHBondContact O-CB 3.46Å; W440-C444 PolarHBondContact O-N 3.11Å; C444-T446 PolarHBondContact O-N 2.87Å
445Q48.2Very low51.9Low170 Ų170126 Ų12679%0.79468%0.68SS**  trans-80.790.7167.4-81.4-172.5-900110.7
446T46.5Very low49.4Very low124 Ų124127.5 Ų127.576%0.76169%0.694SS**PPolyproline II helixtrans-72.7134.8168.145.60000110.3C444 Q448C444-T446 PolarHBondContact O-N 2.87Å; T446-Q448 PolarHBondContact O-N 2.94Å
447P47.9Very low47.2Very low120 Ų120130.2 Ų130.278%0.77970%0.704SS**PPolyproline II helixtrans-76.1120.4176.629.5-32.6000110.6
448Q33.6Very low45.2Very low191 Ų191134.8 Ų134.889%0.89372%0.72SS**PPolyproline II helixtrans-69.3143.9164.1-75.5-174.6-32.300110.3T446T446-Q448 PolarHBondContact O-N 2.94Å
449C35.1Very low43.9Very low117 Ų117136.2 Ų136.279%0.79173%0.734SS**  trans-88.9175.2172.9-640000111.7
450S35.7Very low42.5Very low115 Ų115138.6 Ų138.680%0.80475%0.751SS**  trans74.3148.8-179.4830000115
451S35.6Very low40.9Very low99 Ų99133.8 Ų133.869%0.69276%0.755SS**  cis-169.4152.4-19.646.60000112
452V32.8Very low39.5Very low133 Ų133128.8 Ų128.881%0.80676%0.76SS**  trans66.6115.8140.7168.30000120.3
453H30.4Very low38.5Very low146 Ų146131.7 Ų131.768%0.67677%0.766SS**  trans97152.7141.6-116.628.9000124.2
454R31.1Very low37.3Very low216 Ų216133.4 Ų133.482%0.81577%0.768SS**  trans10.2134.9159.4-69.4173.4168144.1-10.3117.7
455G29.9Very low36.4Very low66 Ų66136.3 Ų136.368%0.6878%0.777SS**  cis139.6-160.532.300000108.9
456S29.8Very low35.7Very low107 Ų107132.1 Ų132.175%0.74877%0.767SS**  trans68.6104.6-176.6-1400000113.9
457I30.6Very low35.4Very low136 Ų136132.9 Ų132.970%0.69777%0.766SS**  62101.973.6-51.4159000112.3
458H33.8Very low34.8Very low170 Ų170136.2 Ų136.279%0.78777%0.771SS**  -179.4131.6112.8-98.9-67.5000112.1
459S46.5Very low34.7Very low119 Ų119130.8 Ų130.883%0.83276%0.759SS**  trans-112.5137.9157.6-61.30000108.9
460P44.7Very low34.6Very low127 Ų127129.7 Ų129.783%0.82575%0.753SS**  trans-133.5157.6136.437-27000112
461G34Very low34.5Very low72 Ų72131.2 Ų131.274%0.74275%0.75SS**  cis147.4116.8-6.800000113.4
462G35.1Very low34.4Very low77 Ų77132.7 Ų132.779%0.79476%0.759SS**  trans79.9168.6178.100000114.2
463R38.6Very low34.4Very low245 Ų245129.7 Ų129.793%0.92576%0.755SS**  cis-148.11604.2-61.3174179.7165.1-1.6106.7
464K31.4Very low34.4Very low177 Ų177131.1 Ų131.177%0.7776%0.762SS**  cis-155.9-172.42.3-125.3179.4155.4-1520105.2
465L32.8Very low34.5Very low135 Ų135125 Ų12571%0.70775%0.753SS**  cis-156155.15.7-131.5169.2000108.8
466S33.9Very low34.7Very low82 Ų82129 Ų12957%0.57376%0.757SS**  trans-72.4179153.6-83.90000111.8
467D40.4Very low34.7Very low140 Ų140131.4 Ų131.475%0.74976%0.757SS**  cis-165.6154.9-24.8-83.6-27.7000104.8
468E35.5Very low34.5Very low190 Ų190136 Ų13689%0.88877%0.765SS**  trans-162.4157.8160.5-154.647.4-92.100114.6
469A31.8Very low34.7Very low77 Ų77133.3 Ų133.364%0.63676%0.763SS**  trans-81.1177.6-178.500000114.9
470S32.4Very low33.7Very low95 Ų95132.1 Ų132.166%0.66476%0.755SS**  cis-176.2-171.8-17.157.60000111.1
471I32.6Very low32.8Very low146 Ų146133.5 Ų133.575%0.74975%0.754SS**  trans74.6106.7158.5-67.1163.8000116.6
472C34.1Very low32.5Very low130 Ų130134.4 Ų134.488%0.87875%0.749SS**  76.3144.880.8-65.90000115.2
473G31.9Very low32Very low70 Ų70137.2 Ų137.272%0.72275%0.746SS**  cis-147.9-166.8-3.700000109.5
474H31.2Very low31.4Very low176 Ų176130.6 Ų130.682%0.81574%0.737SS**  cis-139.3149.124.6-9649.5000110.1
475S32.9Very low31.2Very low89 Ų89131 Ų13162%0.62274%0.741SS**  60.212485.6128.20000113.5
476L34.9Very low31.2Very low148 Ų148130.1 Ų130.178%0.77575%0.745SS**  cis-148.4-175.99.6-93.8158.4000108.7
477Q28.7Very low31.5Very low159 Ų159131.8 Ų131.874%0.74375%0.754SS**  cis-141.3-129.513.5-168.9110.1-33.800111.4
478R26.5Very low31Very low233 Ų233131.2 Ų131.288%0.87976%0.761SS**  trans-178-177-170.3-107.8-175.7-171142.71.7108.4
479P38.7Very low30.5Very low113 Ų113125.8 Ų125.873%0.73476%0.757SS**  cis-120.9-164.2-2.836.2-15.3000111.6
480S25.3Very low30.3Very low94 Ų94126.7 Ų126.766%0.65776%0.764SS**  cis-150.5141.36.5-23.50000109.3
481L26.4Very low30Very low155 Ų155129 Ų12981%0.81277%0.773SS**  54.8104.8102.4-61171.3000114.7
482S27.2Very low29.8Very low92 Ų92128.1 Ų128.164%0.64378%0.775SS**  95.5165.58185.80000111.3
483D25Very low30.2Very low136 Ų136127.2 Ų127.273%0.72777%0.767SS**  cis-157.2154.311-131.3-40.4000114.6
484S25.9Very low29.9Very low106 Ų106132.2 Ų132.274%0.74177%0.772SS**  trans78.7-177.5134.182.90000123.9
485H26.2Very low29.7Very low185 Ų185131.7 Ų131.786%0.85677%0.767SS**  trans-109.9162.9-153.8-94.2-105.8000115.1
486C33.3Very low29.3Very low116 Ų116135.3 Ų135.378%0.78477%0.774SS**  trans-89.2143.6169.2178.80000112.6
487P40.6Very low28.9Very low117 Ų117138.3 Ų138.376%0.7678%0.775SS**  trans-123.8176160.736.1-22.1000114.3
488S29Very low29.2Very low128 Ų128136.5 Ų136.590%0.89578%0.777SS**  trans-121.5165.1-153.4-46.40000117
489G25.3Very low29.1Very low77 Ų77128.9 Ų128.979%0.79476%0.76SS**  trans111.8160.4154.800000116.4
490A28.8Very low28.6Very low96 Ų96131.9 Ų131.979%0.79377%0.768SS**  cis-170.4-173.3-14.900000110.3
491V25.9Very low28.5Very low142 Ų142131 Ų13186%0.86178%0.775SS**  trans94.2148.8165.8-172.30000118
492V28.9Very low28.5Very low128 Ų128128.7 Ų128.778%0.77678%0.778SS**  trans-142.4151.6-170178.60000109.8
493P41.8Very low28.5Very low111 Ų111133.1 Ų133.172%0.72179%0.788SS**  trans-144.9145.4136.835.7-20.1000117
494Q26.5Very low29.5Very low175 Ų175131.1 Ų131.182%0.81878%0.783SS**  trans64127.5152.9-68.1-173.4-5.100120
495K25.2Very low29.5Very low166 Ų166134.1 Ų134.172%0.72279%0.79SS**  81.7125.375.6-144-148173.4-155.60110.1
496E24.5Very low29.7Very low164 Ų164130.1 Ų130.177%0.76678%0.783SS**  cis-147.2-170.246-76.7-174.415300115.6
497R27.3Very low30.4Very low212 Ų212129.2 Ų129.280%0.878%0.775SS**  trans-147145.1-175.2-153.5-158.5-166.7179.34.7109.9
498P35.4Very low29.9Very low120 Ų120132.6 Ų132.678%0.77978%0.781SS**  -144.8168.39538.7-23.9000113.4
499S24.7Very low29.9Very low73 Ų73130.8 Ų130.851%0.5177%0.774SS.*  cis10051-3.890.60000122.2
500L27.7Very low29.9Very low176 Ų176135.6 Ų135.692%0.92178%0.78SS**  trans-105.9151.2138.7-93.266000107.1
501G23.8Very low29.9Very low77 Ų77136.8 Ų136.879%0.79478%0.778SS**  cis118.8123.514.700000109.2
502A26.4Very low29.7Very low106 Ų106140 Ų14088%0.87678%0.78SS**  cis-154.3178.7-1.300000111.9
503Q26.7Very low29.4Very low184 Ų184138.6 Ų138.686%0.8678%0.776SS**  trans-101.4-176.3170.2-122.2-167.63.700109.5
504P46.7Very low28.7Very low95 Ų95141.2 Ų141.262%0.61778%0.783SS**  cis-133.4-177.2-15.838.9-21.6000113.7
505L24.5Very low28.6Very low169 Ų169137.6 Ų137.689%0.88578%0.777SS**  176.8148.7123.5-96.4163.6000112.8
506S31.4Very low28.6Very low101 Ų101139 Ų13971%0.70679%0.786SS**  trans-133.3166.7160.266.50000107.9
507P47Very low28.7Very low97 Ų97138.3 Ų138.363%0.6379%0.787SS**  -156.5156.49938.8-20.4000117.5
508Q31.1Very low29.5Very low187 Ų187133.1 Ų133.187%0.87478%0.781SS**  trans61.6171.5144.8-67164.740.600119.9
509A28.4Very low29Very low90 Ų90135.5 Ų135.574%0.74478%0.782SS**  -174135.5-51.100000110.1
510L25.8Very low29.1Very low178 Ų178142.3 Ų142.393%0.93280%0.797SS**  trans-162.3155.4145.4-158.754.8000112.4
511V27.4Very low29.3Very low122 Ų122141.6 Ų141.674%0.73979%0.792SS**  trans-124.2142.3178.9170.70000109.9
512K22Very low29.7Very low210 Ų210143.1 Ų143.191%0.91379%0.79SS**  trans-154.8156.6146-140.7157.2-170.9173.90113.2
513S23.9Very low30.7Very low98 Ų98142.9 Ų142.969%0.68578%0.78SS**  trans-158.4160.3-169.651.60000113.7
514L26.6Very low30.9Very low165 Ų165140.9 Ų140.986%0.86478%0.781SS**  trans82.8159.1151.4-141.471000120.8
515S23.9Very low30.1Very low100 Ų100140.1 Ų140.170%0.69979%0.79SS**  trans83.9137173.174.30000117.1
516Q24.9Very low30.5Very low195 Ų195141.5 Ų141.591%0.91179%0.792SS**  cis-155.8164.7-10.9-129.9161.7-43.900112.6
517D26.3Very low30.4Very low149 Ų149146.2 Ų146.280%0.79780%0.8SS**  trans-104.2-171.9-178.6-128.8-19000110.5
518P45.7Very low29.9Very low103 Ų103148 Ų14867%0.66981%0.809SS**  cis-134.7-171.7-29.841.4-25.4000113
519E24.8Very low30.3Very low170 Ų170146.4 Ų146.479%0.79481%0.805SS**  trans-170151.5142.5-118.5-69.6106.100115.7
520R27Very low30.7Very low217 Ų217147.4 Ų147.482%0.81980%0.804SS**  trans77.9117.7166.2-162.4170.9-69.1-157.30.6120.9
521I31.5Very low31.7Very low160 Ų160144.2 Ų144.282%0.82179%0.794SS**  trans-135.9149.7174.4-65.4163.8000108.8
522S31.8Very low33.1Very low109 Ų109145.3 Ų145.376%0.76279%0.794SS**  trans153.1162.7144.8-77.10000114.2
523P46.8Very low34.2Very low102 Ų102143.9 Ų143.966%0.66279%0.788SS**  cis-143.8179.9-48.341.9-24.8000114.4
524T31.7Very low35.4Very low142 Ų142141.5 Ų141.587%0.87178%0.779SS**  trans70.4143.1166.970.80000118.5
525G29.4Very low36.8Very low79 Ų79141.4 Ų141.481%0.81477%0.768SS**  cis14295.1-12.500000114.9
526Q32.2Very low38.4Very low197 Ų197145.5 Ų145.592%0.92177%0.768SS**  trans-124.6143.2166.5-110.1-178.3-1.900111.2
527K31.3Very low40.5Very low200 Ų200141.4 Ų141.487%0.8775%0.752SS**  trans-86.6128.6-175.1-66.1176.4178.1177.60110.9
528V34.4Very low42.4Very low135 Ų135136.3 Ų136.382%0.81873%0.731SS**  trans-120.3129.8161.6-178.80000107.5
529L39.8Very low43.7Very low153 Ų153136.5 Ų136.580%0.80172%0.723SS**PPolyproline II helixtrans-81.9128174-84.172.7000109.3
530P37.9Very low46.2Very low111 Ų111134.3 Ų134.372%0.72171%0.713SS**PPolyproline II helixtrans-76.7153.7170.832.3-34.2000111.4
531P46.2Very low47.8Very low111 Ų111129.5 Ų129.572%0.72170%0.699SS**PPolyproline II helixtrans-70.4152.5-178.728.4-34.8000113.3F533 G534P531-F533 PolarHBondContact O-N 3.32Å; P531-G534 PolarHBondContact O-N 2.88Å
532I57.1Low49.7Very low145 Ų145127.8 Ų127.874%0.74469%0.691SS**THydrogen-bonded Turntrans-60.6-19.1-163.7-65.7169.4000114.6G534 Y535I532-G534 VanDerWaalsContact C-N 3.32Å; I532-G534 PolarHBondContact O-N 3.12Å; I532-Y535 PolarHBondContact O-N 3.48Å
533F45.7Very low51.9Low181 Ų181130.6 Ų130.679%0.79469%0.69SS**Hα-helixtrans-64.9-29-179.5-83.8-88.8000114.5P531 Y535P531-F533 PolarHBondContact O-N 3.32Å; F533-Y535 VanDerWaalsContact C-N 3.25Å; F533-Y535 PolarHBondContact O-N 3.37Å
534G49.4Very low53.2Low47 Ų47131.2 Ų131.249%0.48568%0.684SS.*Hα-helixtrans-64.5-29.8175.600000113.4P531 I532 R536 L537 A538P531-G534 PolarHBondContact O-N 2.88Å; I532-G534 VanDerWaalsContact C-N 3.32Å; I532-G534 PolarHBondContact O-N 3.12Å; G534-R536 PolarHBondContact O-N 2.98Å; G534-L537 PolarHBondContact O-N 2.86Å; G534-A538 WeakPolarHBondContact O-CB 3.3Å; G534-A538 PolarHBondContact O-N 2.86Å
535Y54.9Low54.6Low163 Ų163130.7 Ų130.764%0.63967%0.673SS**Hα-helixtrans-70.3-35.9-172.4-157.5-108.4000112.9I532 F533 Q539I532-Y535 PolarHBondContact O-N 3.48Å; F533-Y535 VanDerWaalsContact C-N 3.25Å; F533-Y535 PolarHBondContact O-N 3.37Å; Y535-Q539 HydrophobicContact CD1-CG 4.27Å; Y535-Q539 HydrophobicContact CE1-CG 4.22Å; Y535-Q539 VanDerWaalsContact CE1-NE2 3.31Å; Y535-Q539 WeakPolarHBondContact O-CB 3.44Å; Y535-Q539 VanDerWaalsContact O-CG 3.3Å; Y535-Q539 WeakPolarHBondContact O-CG 3.31Å; Y535-Q539 PolarHBondContact O-N 3.16Å
536R58.1Low56.4Low186 Ų186135.6 Ų135.670%0.70267%0.672SS**Hα-helixtrans-68.1-40.5175.9-72.8-173.6178.6178.70.8112.1G534 Q539 Q540G534-R536 PolarHBondContact O-N 2.98Å; R536-Q539 PolarHBondContact O-N 3.27Å; R536-Q540 WeakPolarHBondContact O-CB 3.44Å; R536-Q540 PolarHBondContact O-N 2.85Å
537L68.8Low58.3Low110 Ų110134.9 Ų134.958%0.57667%0.666SS**Hα-helixtrans-65.5-45.7178-166.770.2000110.9G534 Q539 Q540 Q541G534-L537 PolarHBondContact O-N 2.86Å; L537-Q539 PolarHBondContact O-N 2.88Å; L537-Q540 PolarHBondContact O-N 2.93Å; L537-Q541 WeakPolarHBondContact O-CG 3.24Å; L537-Q541 PolarHBondContact O-N 2.88Å
538A66.1Low59.7Low42 Ų42133 Ų13335%0.34766%0.66SS.*Hα-helixtrans-61.5-41174.700000112.6G534 Q541 L542G534-A538 WeakPolarHBondContact O-CB 3.3Å; G534-A538 PolarHBondContact O-N 2.86Å; A538-Q541 PolarHBondContact O-N 2.86Å; A538-L542 WeakPolarHBondContact O-CB 3.36Å; A538-L542 PolarHBondContact O-N 2.88Å
539Q72.8Confident60.7Low107 Ų107129 Ų12950%0.565%0.647SS.*Hα-helixtrans-65.2-36.3174-79.2-174.5-30.400112.8Y535 R536 L537 K543Y535-Q539 HydrophobicContact CD1-CG 4.27Å; Y535-Q539 HydrophobicContact CE1-CG 4.22Å; Y535-Q539 VanDerWaalsContact CE1-NE2 3.31Å; Y535-Q539 WeakPolarHBondContact O-CB 3.44Å; Y535-Q539 VanDerWaalsContact O-CG 3.3Å; Y535-Q539 WeakPolarHBondContact O-CG 3.31Å; Y535-Q539 PolarHBondContact O-N 3.16Å; R536-Q539 PolarHBondContact O-N 3.27Å; L537-Q539 PolarHBondContact O-N 2.88Å; Q539-K543 WeakPolarHBondContact O-CB 3.23Å; Q539-K543 PolarHBondContact O-N 2.88Å
540Q76.5Confident61.1Low124 Ų124129 Ų12958%0.57965%0.647SS**Hα-helixtrans-68.3-44.2176.7-171.7162.9-20.300111.2R536 L537 K543 E544R536-Q540 WeakPolarHBondContact O-CB 3.44Å; R536-Q540 PolarHBondContact O-N 2.85Å; L537-Q540 PolarHBondContact O-N 2.93Å; Q540-K543 WeakPolarHBondContact O-CB 3.33Å; Q540-K543 PolarHBondContact O-N 2.78Å; Q540-K543 VanDerWaalsContact O-N 3.14Å; Q540-E544 PolarHBondContact O-N 2.97Å
541Q62.4Low61.6Low115 Ų115132.5 Ų132.554%0.53765%0.65SS.*Hα-helixtrans-59.4-46.2171.7-71.9174.9-36.500112.1L537 A538 K543 E544 M545L537-Q541 WeakPolarHBondContact O-CG 3.24Å; L537-Q541 PolarHBondContact O-N 2.88Å; A538-Q541 PolarHBondContact O-N 2.86Å; Q541-K543 PolarHBondContact O-N 2.74Å; Q541-E544 PolarHBondContact O-N 3.39Å; Q541-M545 WeakPolarHBondContact O-CG 3.38Å; Q541-M545 PolarHBondContact O-N 2.88Å
542L70.2Confident61.5Low124 Ų124136.2 Ų136.265%0.64966%0.658SS**Hα-helixtrans-60-35.6174.7-113.3110.8000112.4A538 K546A538-L542 WeakPolarHBondContact O-CB 3.36Å; A538-L542 PolarHBondContact O-N 2.88Å; L542-K546 WeakPolarHBondContact O-CB 3.33Å; L542-K546 PolarHBondContact O-N 2.93Å
543K78.2Confident60.5Low168 Ų168133.8 Ų133.873%0.7366%0.66SS**Hα-helixtrans-71.4-33.1178.4-160.8175-174.3-179.70111.9Q539 Q540 Q541 K547Q539-K543 WeakPolarHBondContact O-CB 3.23Å; Q539-K543 PolarHBondContact O-N 2.88Å; Q540-K543 WeakPolarHBondContact O-CB 3.33Å; Q540-K543 PolarHBondContact O-N 2.78Å; Q540-K543 VanDerWaalsContact O-N 3.14Å; Q541-K543 PolarHBondContact O-N 2.74Å; K543-K547 VanDerWaalsContact O-CB 3.29Å; K543-K547 WeakPolarHBondContact O-CB 3.45Å; K543-K547 PolarHBondContact O-N 3.03Å; K543-K547 VanDerWaalsContact O-N 3.12Å
544E74.5Confident60.1Low115 Ų115132.4 Ų132.454%0.53767%0.666SS.*Hα-helixtrans-75.8-44.5173-69.1-167.2147.200112.6Q540 Q541 K546 K547 Q548Q540-E544 PolarHBondContact O-N 2.97Å; Q541-E544 PolarHBondContact O-N 3.39Å; E544-K546 VanDerWaalsContact C-N 3.28Å; E544-K546 PolarHBondContact O-N 2.73Å; E544-K547 CarbonylContact O-C 3.58Å; E544-K547 WeakPolarHBondContact O-CA 3.43Å; E544-K547 WeakPolarHBondContact O-CB 3.15Å; E544-K547 PolarHBondContact O-N 3.28Å; E544-Q548 PolarHBondContact O-N 2.71Å
545M60.8Low59.4Low131 Ų131138.3 Ų138.365%0.64568%0.681SS**Hα-helixtrans-59.4-39.4174-67.7-177.378.400111.6Q541 K547 Q548 G549Q541-M545 WeakPolarHBondContact O-CG 3.38Å; Q541-M545 PolarHBondContact O-N 2.88Å; M545-K547 VanDerWaalsContact C-N 3.31Å; M545-K547 PolarHBondContact O-N 3.5Å; M545-Q548 PolarHBondContact O-N 3.29Å; M545-G549 PolarHBondContact O-N 3.11Å
546K67.4Low58.2Low182 Ų182138.3 Ų138.379%0.79169%0.692SS**Hα-helixtrans-72.1-21174-165.2168.6-174.7174.80113.5L542 E544L542-K546 WeakPolarHBondContact O-CB 3.33Å; L542-K546 PolarHBondContact O-N 2.93Å; E544-K546 VanDerWaalsContact C-N 3.28Å; E544-K546 PolarHBondContact O-N 2.73Å
547K71Confident56.8Low183 Ų183139.5 Ų139.580%0.79670%0.698SS**Hα-helixtrans-82.2-27.4172.4-173.4-176.1177-168.90112.4K543 E544 M545K543-K547 VanDerWaalsContact O-CB 3.29Å; K543-K547 WeakPolarHBondContact O-CB 3.45Å; K543-K547 PolarHBondContact O-N 3.03Å; K543-K547 VanDerWaalsContact O-N 3.12Å; E544-K547 CarbonylContact O-C 3.58Å; E544-K547 WeakPolarHBondContact O-CA 3.43Å; E544-K547 WeakPolarHBondContact O-CB 3.15Å; E544-K547 PolarHBondContact O-N 3.28Å; M545-K547 VanDerWaalsContact C-N 3.31Å; M545-K547 PolarHBondContact O-N 3.5Å
548Q61.4Low55Low160 Ų160142 Ų14275%0.74871%0.706SS**Hα-helixtrans-85.4-8.8175.4-72.5-171.8-15.500114.3E544 M545E544-Q548 PolarHBondContact O-N 2.71Å; M545-Q548 PolarHBondContact O-N 3.29Å
549G55.7Low53.2Low52 Ų52146.8 Ų146.854%0.53673%0.73SS.*THydrogen-bonded Turntrans70.239.1155.700000116.5M545 K551M545-G549 PolarHBondContact O-N 3.11Å; G549-K551 PolarHBondContact O-N 2.86Å
550L48.5Very low51.1Low153 Ų153146.5 Ų146.580%0.80174%0.74SS**  trans-60.9127.1170.4-91.769.6000110.9
551K47.9Very low48.9Very low184 Ų184145.6 Ų145.680%0.875%0.747SS**  trans-95.4139.2165.7-63.8-175.4-179.2-177.50109.5G549G549-K551 PolarHBondContact O-N 2.86Å
552E44.2Very low47.3Very low188 Ų188145.2 Ų145.288%0.87976%0.758SS**  trans36.2113.4151.2-59.6175.8140.200119
553A36.4Very low46.1Very low95 Ų95144.8 Ų144.879%0.78576%0.762SS**  166.3122.499.100000113.6
554T35.9Very low43.7Very low151 Ų151142.5 Ų142.593%0.92676%0.762SS**  trans-161.9147139.519.80000108.3
555Q36.4Very low41.6Very low171 Ų171144.4 Ų144.480%0.79977%0.771SS**  trans-92.8154.8-165.2-68.8156.9-44.900113.2Y557Q555-Y557 PolarHBondContact O-N 3.23Å
556L29Very low40.1Very low164 Ų164144.1 Ų144.186%0.85977%0.772SS**  trans-72.1122.6164.5-68.6100000109.6H558L556-H558 PolarHBondContact O-N 3.11Å
557Y28.9Very low38.5Very low211 Ų211141.4 Ų141.483%0.82777%0.771SS**  trans-79.3111.9163.3-83.6-86000109.7Q555Q555-Y557 PolarHBondContact O-N 3.23Å
558H30.6Very low36.6Very low163 Ų163138.5 Ų138.576%0.75577%0.768SS**  trans-106.798.4178.8-152.3-82.1000108.8L556L556-H558 PolarHBondContact O-N 3.11Å
559V29.1Very low35.1Very low141 Ų141136.2 Ų136.286%0.85577%0.765SS**  trans-94.797.9178.3-177.80000109.2
560S28.7Very low33.8Very low102 Ų102141.8 Ų141.871%0.71378%0.777SS**  trans-98.6139.7169.248.90000110.7
561S30.5Very low32.8Very low104 Ų104140.1 Ų140.173%0.72777%0.773SS**  trans-95.3164.3-173.659.20000114.4
562S28.2Very low31.8Very low108 Ų108136.9 Ų136.976%0.75577%0.772SS**  trans81.1159.3158.4-510000117.1
563P44Very low31.1Very low115 Ų115132.6 Ų132.675%0.74777%0.769SS**  cis-138.7-153-33.533.8-12.4000113.2
564V29.2Very low30.9Very low119 Ų119133.5 Ų133.572%0.72177%0.769SS**  trans99100.1159.1-167.20000117.9
565H29.2Very low31.1Very low156 Ų156132.6 Ų132.672%0.72277%0.766SS**  36.7153.1106.2-67.1-74.7000120.3
566D29.5Very low30.7Very low124 Ų124130.6 Ų130.666%0.66377%0.766SS**  cis-165.8-1767.5-124.7-2.7000113.8
567T33.6Very low30.4Very low126 Ų126129 Ų12977%0.77376%0.764SS**  trans70150.6151.4560000119.7
568V31.3Very low30.3Very low122 Ų122123.8 Ų123.874%0.73976%0.758SS**  cis-160.5144.57.3102.20000114.1
569V30.8Very low31Very low111 Ų111120.8 Ų120.867%0.67375%0.752SS**  trans67.1152.2149.8168.40000118.7
570E27.5Very low30.7Very low170 Ų170121.5 Ų121.579%0.79475%0.75SS**  cis-148.2133.520.7-150.8131.9-13300116.4
571T28.8Very low31.5Very low117 Ų117122.3 Ų122.372%0.71875%0.753SS**  45132.7128.8-49.30000127.2
572C25.1Very low31.1Very low116 Ų116122.5 Ų122.578%0.78475%0.754SS**  trans66.6116148.1-77.60000127
573A29.5Very low32.3Very low99 Ų99122.4 Ų122.482%0.81875%0.751SS**  64.2149.3112.100000124.7
574S32.2Very low31.4Very low113 Ų113123.2 Ų123.279%0.7975%0.754SS**  trans-77.6170.1-173.4-32.90000116
575P41.6Very low31.2Very low132 Ų132124.4 Ų124.486%0.85775%0.751SS**  -150.8-167.79641.7-23.9000116.5
576T26.5Very low31.1Very low130 Ų130125 Ų12580%0.79875%0.752SS**  trans-106.7165.8-167.7-45.10000113.8
577T24.7Very low31.1Very low131 Ų131123.3 Ų123.380%0.80476%0.756SS**  trans118.3153.6147.5-37.60000117.3
578S25.2Very low30.7Very low101 Ų101123.1 Ų123.171%0.70676%0.758SS**  trans-100.3-159.8-175.556.50000111.6
579P45.6Very low30.6Very low99 Ų99122.1 Ų122.164%0.64376%0.757SS**  cis-147.3171.20.644.3-25.2000119.7
580I23.9Very low30.4Very low156 Ų156121.5 Ų121.580%0.876%0.763SS**  trans63.6159.9142-72.2166.4000118.9
581P43.8Very low30.4Very low120 Ų120121.4 Ų121.478%0.77977%0.767SS**  cis-123.3-165-5.830.6-7.2000116.1
582S23.4Very low31.5Very low107 Ų107121.4 Ų121.475%0.74877%0.769SS**  trans-103.7-152.917760.90000111.8
583P52.2Low31.6Very low107 Ų107123.9 Ų123.970%0.69577%0.774SS**  cis-143.6175.74.844.6-25.3000119.3
584T26.2Very low31.8Very low131 Ų131122.7 Ų122.780%0.80476%0.764SS**  trans147.8148.9143.541.90000111.9
585E25Very low31.4Very low144 Ų144123.8 Ų123.867%0.67377%0.766SS**  cis-160.6164-31.5-156.3171.3-171.100110.3
586F27.2Very low31.5Very low168 Ų168122.3 Ų122.374%0.73776%0.756SS**  trans63.7120.1175.1-52-73.1000118.2
587A28.6Very low31.6Very low89 Ų89124 Ų12474%0.73676%0.759SS**  cis84.5140.335.400000113.4
588C25.6Very low31.7Very low122 Ų122123.1 Ų123.182%0.82476%0.759SS**  cis-159.2173.510.5-112.80000109
589S30.2Very low31.6Very low102 Ų102121.2 Ų121.271%0.71376%0.756SS**  cis179.7140.8-25.150.70000111.7
590A25.4Very low30.5Very low98 Ų98123.4 Ų123.481%0.8177%0.767SS**  trans-161.7134.5149.500000109.1
591L27.1Very low30.5Very low168 Ų168124 Ų12488%0.8877%0.771SS**  trans-147.3171.3-165.6-86.3176.5000113
592P52.8Low29.6Very low116 Ų116122 Ų12275%0.75377%0.772SS**  trans-103.5-139.8-168.543.3-37.6000112
593L26.8Very low29.5Very low169 Ų169123.1 Ų123.189%0.88577%0.774SS**  trans124164.7152.4-152.864.2000114.5
594A33.2Very low28.2Very low73 Ų73125 Ų12560%0.60378%0.784SS**  trans-129.8-174.6-177.700000111.1
595T25.2Very low28.1Very low137 Ų137124.1 Ų124.184%0.8478%0.783SS**  trans73.8170.4-176.781.60000112.4
596P43.9Very low28Very low100 Ų100123.4 Ų123.465%0.64978%0.784SS**  cis-145.8-170.121.544.6-23.5000118.4
597L27.5Very low27.9Very low165 Ų165125.1 Ų125.186%0.86479%0.786SS**  trans67.9168.7162.2-60.6171.2000117.1
598S26.1Very low27.7Very low113 Ų113128.3 Ų128.379%0.7979%0.789SS**  cis-165.5161.5-42.2-171.30000107.2
599G24.4Very low27.7Very low62 Ų62127.4 Ų127.464%0.63979%0.785SS**  trans-115163.2-173.700000115.5
600T23Very low27.9Very low144 Ų144128 Ų12888%0.88379%0.786SS**  trans-176.5148.2153.5-79.40000112.4
601L22.7Very low27.8Very low168 Ų168134.3 Ų134.388%0.8879%0.789SS**  trans-10.1150.8168.8-97.760.9000122
602G24.4Very low27.7Very low78 Ų78131.6 Ų131.680%0.80478%0.779SS**  trans177.972.416400000118.2
603V22.8Very low26.3Very low132 Ų132134 Ų13480%0.878%0.78SS**  trans-56.9134.7-178.61740000115.8
604T24.1Very low26.2Very low146 Ų146132.4 Ų132.490%0.89677%0.771SS**  -172.7165.3124.318.90000112.6
605S24.5Very low25.9Very low112 Ų112135.6 Ų135.678%0.78378%0.783SS**  trans-124.8143-175.7153.10000110.3
606D22.9Very low25.9Very low130 Ų130136.9 Ų136.970%0.69578%0.783SS**  trans-152.9152.8148.3-141.9-0.5000117.1
607R25.5Very low25Very low204 Ų204135.5 Ų135.577%0.7779%0.788SS**  trans3.5116.2166.6-76.3152.8173.4165.5-7.1123.4
608L23.6Very low25.9Very low155 Ų155133.5 Ų133.581%0.81279%0.785SS**  19.2116.2106.4-69.9167.2000120.4
609S25.8Very low27.3Very low104 Ų104133.3 Ų133.373%0.72778%0.781SS**  67.9159.9129.9-47.70000119.6
610P33.5Very low28.2Very low113 Ų113135.7 Ų135.773%0.73479%0.785SS**  -141.1162.881.838-22.6000116.1
611R24.8Very low28.6Very low232 Ų232135.2 Ų135.288%0.87578%0.781SS**  trans68.3122.6164.7-72.7175.5175.8167.9-1.6117.2
612V23.8Very low28.8Very low110 Ų110132.8 Ų132.867%0.66778%0.779SS**  cis64.3121.811.4-1670000112.1I614V612-I614 HydrophobicContact CG1-CD1 4.47Å
613E24.4Very low28.9Very low167 Ų167132.4 Ų132.478%0.7878%0.775SS**  -150.3124.251.9-145.2139.6-120.700111.5
614I25Very low29.2Very low135 Ų135138 Ų13869%0.69278%0.781SS**  59122.4101.9-55.8176.3000116.6V612V612-I614 HydrophobicContact CG1-CD1 4.47Å
615V25.7Very low29.4Very low141 Ų141136 Ų13686%0.85577%0.773SS**  -170.3153.3126.4141.70000111.4
616L26Very low29.8Very low163 Ų163134.7 Ų134.785%0.85376%0.764SS**  trans-90.1153.8-168.4-55.5129.5000114.5
617G23.9Very low29.9Very low72 Ų72137.6 Ų137.674%0.74277%0.771SS**  trans91.1143.6131.500000120.4
618P46.3Very low29.9Very low123 Ų123138.1 Ų138.180%0.79977%0.773SS**  trans-103.4-162.1168.244.4-37000110.8
619P56.7Low30.2Very low109 Ų109137.3 Ų137.371%0.70876%0.764SS**  cis-119.2-143.6-12.833.2-9.1000110.6
620P43.2Very low30.3Very low111 Ų111138.4 Ų138.472%0.72176%0.762SS**  -144.7145.661.942-21.9000116.6
621V31.6Very low30Very low135 Ų135144.8 Ų144.882%0.81877%0.772SS**  68133.8106.7-179.60000115.5
622S27.5Very low30.2Very low117 Ų117140.6 Ų140.682%0.81877%0.772SS**  cis-140.6168.524.154.10000114.1
623G26.4Very low30.3Very low70 Ų70139.9 Ų139.972%0.72278%0.778SS**  cis164.3136.2-16.100000116.4
624R28.7Very low30.4Very low248 Ų248138.9 Ų138.994%0.93678%0.778SS**  trans67.3139.2155.6-140.2164.5176.9178.5-0.9117.3
625S27.4Very low30.3Very low104 Ų104143.2 Ų143.273%0.72779%0.786SS**  cis-145.1161.129.8-164.60000116.2
626S32.3Very low30.5Very low85 Ų85142.3 Ų142.359%0.59478%0.78SS**  trans-83.1169.1177.854.40000113.4
627K26.7Very low30.6Very low192 Ų192142.2 Ų142.284%0.83578%0.775SS**  cis-148.8143.749-86-175171.8-176.10111.6
628W24.6Very low30.6Very low214 Ų214145.7 Ų145.781%0.81177%0.774SS**  84.1114.558.6-90.671.2000116
629H29.2Very low29.6Very low138 Ų138145.5 Ų145.564%0.63977%0.77SS**  trans129125.4139.4-46.7-102.9000116.4
630D29Very low28.2Very low127 Ų127146.3 Ų146.368%0.67976%0.764SS**  trans-73.2162.2167.1-44.7-87.5000113.2
631R27.1Very low27.4Very low248 Ų248150.9 Ų150.994%0.93677%0.767SS**  -176.6151.1113.9-101.6169.3-176.8-178.2-0.2114
632T28.6Very low27.1Very low144 Ų144150.4 Ų150.488%0.88377%0.77SS**  trans-91.2128.9164.9-50.40000109.4
633A26.3Very low27Very low95 Ų95154.7 Ų154.779%0.78577%0.774SS**  trans-164.7127.315500000112.3
634D25.7Very low27.3Very low146 Ų146159.6 Ų159.678%0.78178%0.78SS**  trans-13179.2148.6-119.2-44.7000123.5
635W24.2Very low27.4Very low226 Ų226153.3 Ų153.386%0.85677%0.772SS**  trans94.893.3167.5-67.699000120.2
636V28.3Very low27.5Very low121 Ų121151.8 Ų151.873%0.73377%0.772SS**  trans-30.6131141.2175.30000114.4
637E28.3Very low27.5Very low162 Ų162156.6 Ų156.676%0.75779%0.79SS**  -164.7169.7123.3-118.1-168.7177.100116.7
638M24Very low27.5Very low145 Ų145158.9 Ų158.971%0.71479%0.794SS**  trans-40.6168.6168.6-71.5-171.5-77.800117.4
639V25.7Very low27.9Very low119 Ų119156.3 Ų156.372%0.72180%0.796SS**  cis-154.8-176.21.1107.90000112.1
640E26.7Very low28.7Very low125 Ų125153.9 Ų153.958%0.58479%0.792SS**  trans-40.2163.9174.5-45.6173.685.600119.6
641R26.4Very low29Very low207 Ų207154.7 Ų154.778%0.78180%0.797SS**  trans72.8114.3153.7-70.3-178.2-174.182.226.1119.5
642S26.1Very low29.2Very low126 Ų126151.2 Ų151.288%0.88179%0.789SS**  trans-136.2150.5132.664.80000110.7
643K26.2Very low29.4Very low206 Ų206154.1 Ų154.190%0.89678%0.784SS**PPolyproline II helixtrans-95.8144.4-176.4-85.7176.7172.8173.20111.5
644M32.3Very low29.8Very low173 Ų173160.6 Ų160.685%0.85279%0.788SS**PPolyproline II helixtrans-69.4138.3160-78.6-72.4-68.200111.8
645P30.7Very low30.1Very low117 Ų117159.3 Ų159.376%0.7679%0.785SS**PPolyproline II helixtrans-98.7135.5147.534.2-26.6000110.1
646G29.9Very low30.3Very low72 Ų72153.4 Ų153.474%0.74278%0.778SS**  trans-114.8151.1177.900000112.8
647L30.4Very low30.4Very low185 Ų185152.7 Ų152.797%0.96978%0.779SS**  trans-90.9150.9167.4-108.680.1000111.8
648R28.2Very low30.7Very low240 Ų240154.7 Ų154.791%0.90679%0.786SS**  trans-75.5151.1-173.6-76172.5154.6-163.8-3.3113.9
649N32.9Very low31.1Very low160 Ų160152.6 Ų152.686%0.85679%0.785SS**  trans-123.6129.3147.9-167.216.1000107.9
650P45.3Very low31.4Very low87 Ų87154.5 Ų154.557%0.56579%0.791SS**  trans-99.9130.2-17034.9-31.4000114.4
651N35.6Very low31.5Very low145 Ų145155.5 Ų155.578%0.77581%0.806SS**  171.5161111.2-86.7-44.3000114.2
652F30.5Very low31.6Very low174 Ų174154.3 Ų154.376%0.76381%0.807SS**  trans69.481168.7-74.2-75.5000122.3
653R33.4Very low31.7Very low206 Ų206154.9 Ų154.978%0.77780%0.799SS**  47115.5122.8-66.6-177.5173.3-175.8-1.2122.6
654R34.2Very low31.8Very low230 Ų230152.2 Ų152.287%0.86879%0.794SS**  trans62.3153.8131.1-57.6-176.1176.7173-2.3118.5
655T31.9Very low31.6Very low119 Ų119148.3 Ų148.373%0.7378%0.784SS**  cis-140.4160.717.848.90000113.6
656S29.3Very low31.3Very low102 Ų102149 Ų14971%0.71379%0.786SS**  trans33.9146.214361.80000123.4
657S30.6Very low31.1Very low107 Ų107151.2 Ų151.275%0.74879%0.79SS**  cis-175.3160.6-12.647.80000111.7
658F33.5Very low31Very low204 Ų204147.5 Ų147.590%0.89578%0.779SS**  trans-22.8160.6159.5-80.8-95.1000119.5
659S33.6Very low31Very low101 Ų101140.4 Ų140.471%0.70677%0.772SS**  cis-157155.61543.30000114.9
660D31.9Very low30.8Very low158 Ų158141.5 Ų141.585%0.84577%0.772SS**  trans-70.4162.9158.8-70.1-64.4000113.9
661T27.8Very low29.9Very low146 Ų146142.3 Ų142.390%0.89678%0.78SS**  trans-142.1161.5154.121.60000111.5
662K29.3Very low29.7Very low183 Ų183142.4 Ų142.480%0.79679%0.786SS**  trans-153.2146.3-164.5-178.5-168.2-177.5-175.90109.6
663L27.5Very low29.8Very low137 Ų137142.9 Ų142.972%0.71779%0.79SS**  trans149.5142134.3-79.8164.9000116.2
664L29.9Very low29.5Very low151 Ų151142.6 Ų142.679%0.79180%0.795SS**  trans70.1-178.1142.5-72165.6000121.1
665S26.6Very low29.3Very low91 Ų91140.9 Ų140.964%0.63679%0.789SS**  trans-145.7165.9-130.5-48.80000115.4
666T25.1Very low29.3Very low131 Ų131140.9 Ų140.980%0.80478%0.78SS**  trans72.3122.8150410000122.5
667S26.5Very low29.3Very low118 Ų118145.8 Ų145.883%0.82578%0.783SS**  trans97.7147.4136.180.70000122
668S26.6Very low29.5Very low108 Ų108145 Ų14576%0.75578%0.778SS**  trans72.688.8150.1-164.30000122.8
669A28.3Very low29.4Very low91 Ų91143.7 Ų143.775%0.75278%0.776SS**  67155.1119.700000124.5
670Q29.1Very low29.4Very low182 Ų182145.5 Ų145.585%0.8578%0.783SS**  trans74.896.2160-72.8-176-5.300122.1
671S27.5Very low29.8Very low104 Ų104146.5 Ų146.573%0.72778%0.783SS**  47.4128.5123.862.30000123.3
672T30.2Very low30Very low148 Ų148146.9 Ų146.991%0.90879%0.785SS**  -160.8161.1125.67.70000111.5
673Q32.9Very low30.1Very low183 Ų183141.4 Ų141.486%0.85578%0.781SS**  trans-128.2134.8178.1-64.9178.3-56.600111.4
674F27.8Very low30.3Very low201 Ų201140.4 Ų140.488%0.88279%0.785SS**  trans-155.8130.7150.6-88.8-82000106.2
675R30Very low30.3Very low194 Ų194144.3 Ų144.373%0.73279%0.789SS**  cis79.1121.931.5-160.3-175.5-175.9149.618112
676E31Very low30.5Very low119 Ų119146.4 Ų146.456%0.55680%0.798SS**  cis-173.9173.1-4.9-178.1-173.9-161.300109.1
677R29.7Very low30.7Very low205 Ų205147.8 Ų147.877%0.77480%0.8SS**  trans81.2153.4161.8-50.8-174.1-176.3-165.5-3.6118.6
678S34Very low31.5Very low91 Ų91147.5 Ų147.564%0.63680%0.795SS**  cis-174.9137.3-27.255.50000113.4
679M32.9Very low31.5Very low175 Ų175151.6 Ų151.686%0.86280%0.802SS**  trans59.4158.9157.6-88.3178.4-8000118.2
680T33.3Very low31.5Very low139 Ų139150.8 Ų150.885%0.85380%0.803SS**  cis-140.4-179.742.549.20000115.6
681Q40Very low31.5Very low179 Ų179148 Ų14884%0.83680%0.803SS**  trans-99.4149.4-179.7-53.4164-2400112.5
682V31.8Very low31.6Very low155 Ų155147.7 Ų147.794%0.93980%0.801SS**  trans-154.7152.7142.3-174.50000108.5
683G31.6Very low31.5Very low68 Ų68151.6 Ų151.670%0.70180%0.8SS**  trans178.9146.2158.400000115.8
684S31Very low31.4Very low115 Ų115149 Ų14980%0.80480%0.797SS**  trans-178.3145.9161.9560000112.8
685R29.4Very low31.4Very low234 Ų234149.2 Ų149.288%0.88380%0.797SS**  trans15.2150.7148.1-47.9-178.6175.2-174.3-3.1119.8
686T30.8Very low31.3Very low134 Ų134144.1 Ų144.182%0.82281%0.805SS**  cis-165.6175.637.6-320000112.4
687L31Very low31.1Very low160 Ų160147.3 Ų147.384%0.83881%0.812SS**  trans-71.8176.2167.2-74.3164000112.5
688P42.9Very low30.9Very low112 Ų112150.2 Ų150.273%0.72782%0.823SS**  cis-147.316821.944.7-24.3000120.8
689E26.6Very low30.7Very low195 Ų195151.4 Ų151.491%0.91182%0.818SS**  trans36.4127.2132.4-151.8152.5-137.500124.2
690G27.2Very low30.4Very low74 Ų74154.9 Ų154.976%0.76382%0.822SS**  trans163.2126.916300000118.5
691S30.2Very low30.3Very low122 Ų122156.5 Ų156.585%0.85382%0.82SS**  trans-35.8160.4169.944.30000119.7
692S28.7Very low30.4Very low99 Ų99152.9 Ų152.969%0.69281%0.812SS**  cis-166.2149.21042.60000114.5
693W28.4Very low30.5Very low230 Ų230154.2 Ų154.287%0.87181%0.807SS**  trans42.3128.4147.7-68.470000120.6
694T30.3Very low30.7Very low129 Ų129156.3 Ų156.379%0.79181%0.809SS**  -159.5148.768.331.80000115.2
695K29.2Very low30.5Very low204 Ų204156.1 Ų156.189%0.88781%0.807SS**  trans29.3115.6160.5-79.5-177.4173.2175.80120.4
696G27.6Very low30.3Very low87 Ų87156 Ų15690%0.89781%0.809SS**  trans166.853.8156.500000117.2
697R26.1Very low30.5Very low187 Ų187155.2 Ų155.271%0.70681%0.806SS**  trans-145.1127.7-178.9-154.7172.2-148-124.4-3.2114.5E699R697-E699 HydrophobicContact CG-CB 4.42Å; R697-E699 IonicContact CZ-OE1 3.48Å; R697-E699 IonicContact CZ-OE2 3.86Å; R697-E699 IonicContact NE-OE1 3.41Å; R697-E699 VanDerWaalsContact NH1-CD 3.34Å; R697-E699 IonicContact NH1-OE1 2.71Å; R697-E699 IonicContact NH1-OE2 3.7Å; R697-E699 PolarHBondContact NH1-OE2 3.23Å; R697-E699 IonicContact NH2-OE1 3.62Å; R697-E699 PolarHBondContact NH2-OE1 3.28Å; R697-E699 IonicContact NH2-OE2 2.77Å; R697-E699 PolarHBondContact NH2-OE2 3.35Å
698W25.2Very low30.7Very low265 Ų265155.1 Ų155.1100%1.00480%0.804SS**  trans-123.1122.2153.4-82.283.1000106.9
699E30Very low30.2Very low117 Ų117155.1 Ų155.155%0.54781%0.805SS.*  trans-141.6141.2176.4-171.2168.3-85.100108.2R697R697-E699 HydrophobicContact CG-CB 4.42Å; R697-E699 IonicContact CZ-OE1 3.48Å; R697-E699 IonicContact CZ-OE2 3.86Å; R697-E699 IonicContact NE-OE1 3.41Å; R697-E699 VanDerWaalsContact NH1-CD 3.34Å; R697-E699 IonicContact NH1-OE1 2.71Å; R697-E699 IonicContact NH1-OE2 3.7Å; R697-E699 PolarHBondContact NH1-OE2 3.23Å; R697-E699 IonicContact NH2-OE1 3.62Å; R697-E699 PolarHBondContact NH2-OE1 3.28Å; R697-E699 IonicContact NH2-OE2 2.77Å; R697-E699 PolarHBondContact NH2-OE2 3.35Å
700R27.1Very low30.3Very low247 Ų247154.2 Ų154.293%0.93280%0.8SS**  trans-119.9122173.3-90.9-167.1-81.5-174-6109.5
701Q31.8Very low30.3Very low174 Ų174160.2 Ų160.281%0.81381%0.808SS**  trans-100.3168.2170.2-100-155.1-7.100111.6
702P40.6Very low30Very low103 Ų103165.4 Ų165.467%0.66981%0.809SS**  trans-92.2160.1-165.935.9-36.3000115.8
703H35.3Very low30.1Very low182 Ų182166 Ų16684%0.84381%0.808SS**  trans19.4147.3145.4-61.2-36.5000121.8
704P36.5Very low30Very low113 Ų113160 Ų16073%0.73480%0.801SS**  cis-149-171.640.943.2-23000118.6
705S25.2Very low29.8Very low110 Ų110160.7 Ų160.777%0.76980%0.8SS**  trans81.3139.3164.977.30000119.3
706Y26.8Very low29.6Very low232 Ų232162.7 Ų162.791%0.9180%0.802SS**  trans-153.4129.7174.7-91.2-74.5000110.4
707P34.9Very low29.5Very low118 Ų118164 Ų16477%0.76680%0.798SS**  trans-108.2176.7158.235.7-26.1000112.6
708I35.2Very low29.6Very low157 Ų157159.7 Ų159.781%0.80580%0.802SS**  trans-77.9149.4-173.5-61156.3000112
709P32Very low29.7Very low113 Ų113153.7 Ų153.773%0.73480%0.795SS**  trans-115.8133.2146.434.6-26.2000112.4
710E27.3Very low29.6Very low176 Ų176157.6 Ų157.682%0.82281%0.81SS**  trans-72.7155.7165.8-52.7176140.600110.2
711H28.6Very low30Very low199 Ų199151.8 Ų151.892%0.92180%0.804SS**  trans-133.5134.5160.1-102.429.3000111.4
712R24.3Very low29.8Very low231 Ų231152.9 Ų152.987%0.87281%0.809SS**  trans-129.3145.7-168.7-168.2-175.4-158.1177.57.8108.8
713V30Very low29.2Very low112 Ų112159.3 Ų159.368%0.67982%0.82SS**  trans8.3121.8161.7-1750000117.2
714S26.6Very low28.9Very low104 Ų104158.9 Ų158.973%0.72782%0.823SS**  trans-106.394.9163.5610000110.9
715D25.4Very low28.4Very low144 Ų144157.3 Ų157.377%0.7783%0.827SS**  trans-65.5153.5164.7-71.1-60.3000110.9
716W24.8Very low28.4Very low246 Ų246155.5 Ų155.593%0.93283%0.825SS**  trans-123.9108.7177-99.350.2000111.1
717S25.6Very low29.2Very low114 Ų114150.6 Ų150.680%0.79782%0.822SS**  trans-133.596175.3630000112.5
718A28.4Very low28.9Very low97 Ų97148.7 Ų148.780%0.80281%0.811SS**  trans21.5129.9155.100000121.7
719T26.3Very low28.5Very low139 Ų139150.5 Ų150.585%0.85381%0.814SS**  trans-151.6110.5131.6-28.90000114.9
720K28.1Very low28.3Very low199 Ų199151.3 Ų151.387%0.86582%0.817SS**  trans49.3157.9152.1-75.4-176.1174.2176.60123.4
721P36.5Very low28.1Very low124 Ų124151 Ų15181%0.80582%0.815SS**  trans-120.2-177.1-167.744.2-31.3000115
722Q28.1Very low28.6Very low197 Ų197146.8 Ų146.892%0.92181%0.805SS**  trans-118.3157.3166.5-149.9165.78.200111.2
723R26.7Very low28.6Very low239 Ų239145.8 Ų145.890%0.90280%0.802SS**  trans-82.9154.9-162.6-59.4174176.3169.2-3.4114.8
724I29.9Very low28.2Very low173 Ų173146 Ų14689%0.88781%0.808SS**  -169.4139123.4-95.2150.4000109.2
725G25.3Very low28.2Very low80 Ų80148.5 Ų148.583%0.82581%0.808SS**  trans78.3137.4162.100000118.8
726G25.3Very low28.1Very low71 Ų71150.2 Ų150.273%0.73281%0.811SS**  trans-154.2-158.2166.300000108.6
727P44.3Very low28.2Very low129 Ų129143.6 Ų143.684%0.83880%0.798SS**  cis-111.6-141.7-720.56.1000109.3
728S27.4Very low28.2Very low78 Ų78144 Ų14455%0.54579%0.791SS.*  cis-161.11485.5-37.70000111.5
729F27.8Very low28.2Very low196 Ų196146.5 Ų146.586%0.8679%0.786SS**  trans60.7152.6159.3-54.7-59.5000118.2
730T26.8Very low28.2Very low130 Ų130148.1 Ų148.180%0.79879%0.789SS**  cis-150.2162.1-3.8-6.30000111.1
731H23Very low28.1Very low168 Ų168142 Ų14278%0.77878%0.782SS**  trans-101.8-177.2166.9-89.8-59.4000110.4
732P39.7Very low28.2Very low111 Ų111143 Ų14372%0.72179%0.785SS**  cis-134.7176-522.73000117
733W24Very low28.5Very low211 Ų211140.6 Ų140.680%0.79978%0.779SS**  trans-7.7148.2149.1-6377.2000123.1
734S23.2Very low28.8Very low117 Ų117139.5 Ų139.582%0.81878%0.775SS**  trans-155.8174.6137.557.10000111.9
735H25Very low28.8Very low156 Ų156135.8 Ų135.872%0.72277%0.77SS**  trans-114.6-178.4-170.3-99-128.1000112.8
736E25Very low29.3Very low180 Ų180141.3 Ų141.384%0.84178%0.775SS**  trans78.2152.5160.1-57.7-152104.100117.5
737V26.9Very low29.7Very low106 Ų106147.7 Ų147.764%0.64278%0.776SS**  cis-160.7153.5-12.3122.90000111.8
738N25.7Very low29.2Very low122 Ų122144.8 Ų144.865%0.65276%0.764SS**  trans50.8134.4157.9-77.5-27.3000125.5
739Q27.2Very low29.5Very low150 Ų150149.9 Ų149.970%0.70178%0.779SS**  trans54.7116.3130.9-58.9171.53300121.4
740L26.2Very low29.9Very low174 Ų174149.4 Ų149.491%0.91178%0.779SS**  173.2164.498.2-104.8139.3000112.1
741G27.3Very low30.3Very low70 Ų70149 Ų14972%0.72277%0.772SS**  trans99.390.2158.600000117.3D743G741-D743 PolarHBondContact O-N 3.13Å
742V37.8Very low30.7Very low144 Ų144152 Ų15287%0.87378%0.777SS**  trans-75.6112.4153.7173.80000107.6
743D34.2Very low30.7Very low148 Ų148154.5 Ų154.579%0.79178%0.784SS**  trans176.376.3151.6-99.9-13.6000112.7G741G741-D743 PolarHBondContact O-N 3.13Å
744R32.3Very low31.7Very low215 Ų215155.1 Ų155.181%0.81179%0.786SS**  trans-157.9-3.2166.3-127.1175.5-174.7114.20.9119E746R744-E746 PolarHBondContact O-N 2.91Å
745A31.8Very low32.5Very low96 Ų96161 Ų16179%0.79379%0.791SS**G310 helixtrans-66.5-38.3-173.600000114R747A745-R747 PolarHBondContact O-N 3.24Å; A745-R747 VanDerWaalsContact O-N 3.13Å
746E34.5Very low33.9Very low196 Ų196156.4 Ų156.492%0.91679%0.785SS**G310 helixtrans-74.91.3-175.1-67.3-164.2127.300115.6R744R744-E746 PolarHBondContact O-N 2.91Å
747R33.6Very low34.9Very low204 Ų204151.6 Ų151.677%0.7777%0.769SS**G310 helixtrans-108.413.6-176.2-151.5168.4-75.8118.9-3.7114.2A745A745-R747 PolarHBondContact O-N 3.24Å; A745-R747 VanDerWaalsContact O-N 3.13Å
748A33.9Very low35.8Very low69 Ų69149.3 Ų149.357%0.5776%0.758SS**SBendtrans-97.2-32.5-176.100000115.2
749E34.2Very low37Very low184 Ų184148.3 Ų148.386%0.8676%0.758SS**G310 helixtrans-93.4-13.6-168.6-62.8-146.6128.200115.9N751E749-N751 VanDerWaalsContact C-N 3.26Å; E749-N751 PolarHBondContact O-N 3.39Å
750Q36.8Very low38Very low187 Ų187147 Ų14787%0.87476%0.755SS**G310 helixtrans-78.52.1-179.5-69.5-169.6-6.500115.1
751N33.8Very low39.1Very low120 Ų120144.1 Ų144.164%0.64274%0.737SS**G310 helixtrans-119.215.2-167-147.92.5000116.3E749E749-N751 VanDerWaalsContact C-N 3.26Å; E749-N751 PolarHBondContact O-N 3.39Å
752W32.7Very low40.2Very low232 Ų232148.7 Ų148.788%0.87973%0.732SS**SBendtrans-84.1-23.3172.3-92.765.6000114R754W752-R754 PolarHBondContact O-N 3.48Å
753N39.5Very low40.9Very low163 Ų163147.2 Ų147.287%0.87272%0.719SS**THydrogen-bonded Turntrans-76.622.1-176.4-69.9-17.4000115.1
754R44Very low42.3Very low224 Ų224144.9 Ų144.985%0.84571%0.706SS**THydrogen-bonded Turntrans-133.829.1-178.4-75.3-164.5174.2-155.31.1115.6W752W752-R754 PolarHBondContact O-N 3.48Å
755R40Very low43.2Very low242 Ų242140 Ų14091%0.91370%0.695SS**  trans-121107.8164.8-64.2-168.8-172.3-146.52.7111.3
756G53.7Low44.3Very low59 Ų59138 Ų13861%0.60868%0.679SS**PPolyproline II helixtrans-71.1163.9170.500000112.5
757P46.1Very low45.1Very low78 Ų78136.5 Ų136.551%0.50667%0.665SS.*PPolyproline II helixtrans-61.3150.5-17824.9-34.7000112.7Q761P757-Q761 HydrophobicContact CB-CB 4.34Å
758S47.5Very low45.9Very low58 Ų58133.4 Ų133.441%0.40666%0.657SS.*PPolyproline II helixtrans-67.2159-171.173.30000112.9I760 Q761S758-I760 PolarHBondContact O-N 3.02Å; S758-Q761 PolarHBondContact O-N 3.16Å
759P49.5Very low46.6Very low102 Ų102135.1 Ų135.166%0.66266%0.656SS**Hα-helixtrans-56.1-27.1-175.9-27.636000114.7
760I48.1Very low46.9Very low123 Ų123134.3 Ų134.363%0.63165%0.65SS**Hα-helixtrans-70.5-40179.7-63.4172.2000111.1S758 R762 N763 I764S758-I760 PolarHBondContact O-N 3.02Å; I760-R762 PolarHBondContact O-N 3.49Å; I760-N763 PolarHBondContact O-N 3.02Å; I760-I764 HydrophobicContact CG2-CD1 4.32Å; I760-I764 PolarHBondContact O-N 3.4Å
761Q49.2Very low47.3Very low112 Ų112130.3 Ų130.352%0.52363%0.631SS.*Hα-helixtrans-67.2-37.6-179.7-74.1176.7-47.300112.3P757 S758 N763 I764 L765P757-Q761 HydrophobicContact CB-CB 4.34Å; S758-Q761 PolarHBondContact O-N 3.16Å; Q761-N763 VanDerWaalsContact C-N 3.35Å; Q761-N763 PolarHBondContact O-N 3.13Å; Q761-I764 PolarHBondContact O-N 3.43Å; Q761-L765 PolarHBondContact O-N 3.38Å; Q761-L765 VanDerWaalsContact O-N 3.08Å
762R51.5Low47.8Very low167 Ų167128.3 Ų128.363%0.6363%0.631SS**Hα-helixtrans-60.6-41.2177.2-70.6-174.1-179.3175.3-0.3112.5I760 I764 L765 A766I760-R762 PolarHBondContact O-N 3.49Å; R762-I764 PolarHBondContact O-N 3.14Å; R762-L765 PolarHBondContact O-N 2.78Å; R762-A766 VanDerWaalsContact O-CB 3.28Å; R762-A766 WeakPolarHBondContact O-CB 3.47Å; R762-A766 PolarHBondContact O-N 3.04Å
763N52Low48.2Very low113 Ų113124.6 Ų124.660%0.60462%0.623SS**Hα-helixtrans-66.2-34.9178.7-90.6-53.1000113.2I760 Q761 R767I760-N763 PolarHBondContact O-N 3.02Å; Q761-N763 VanDerWaalsContact C-N 3.35Å; Q761-N763 PolarHBondContact O-N 3.13Å; N763-R767 WeakPolarHBondContact O-CB 3.37Å; N763-R767 PolarHBondContact O-N 3.28Å
764I64.1Low48Very low99 Ų99121.2 Ų121.251%0.50861%0.612SS.*Hα-helixtrans-70.6-43.3176.8-63.1169.4000110.5I760 Q761 R762 R767 K768I760-I764 HydrophobicContact CG2-CD1 4.32Å; I760-I764 PolarHBondContact O-N 3.4Å; Q761-I764 PolarHBondContact O-N 3.43Å; R762-I764 PolarHBondContact O-N 3.14Å; I764-R767 PolarHBondContact O-N 3.43Å; I764-K768 PolarHBondContact O-N 3.48Å
765L51.4Low47.6Very low111 Ų111116.3 Ų116.358%0.58161%0.611SS**Hα-helixtrans-67.7-40.6179.5-141.2165.8000111.5Q761 R762 R767 K768 L769Q761-L765 PolarHBondContact O-N 3.38Å; Q761-L765 VanDerWaalsContact O-N 3.08Å; R762-L765 PolarHBondContact O-N 2.78Å; L765-R767 PolarHBondContact O-N 3.31Å; L765-K768 PolarHBondContact O-N 3.43Å; L765-L769 HydrophobicContact CD2-CD1 3.76Å; L765-L769 HydrophobicContact CD2-CG 4.29Å; L765-L769 PolarHBondContact O-N 3.3Å
766A54Low47.3Very low56 Ų56109.7 Ų109.746%0.46360%0.602SS.*Hα-helixtrans-63.4-37.517300000112.8R762 K770R762-A766 VanDerWaalsContact O-CB 3.28Å; R762-A766 WeakPolarHBondContact O-CB 3.47Å; R762-A766 PolarHBondContact O-N 3.04Å; A766-K770 WeakPolarHBondContact O-CB 3.45Å; A766-K770 PolarHBondContact O-N 2.99Å; A766-K770 VanDerWaalsContact O-N 3.16Å
767R52Low46.3Very low164 Ų164111 Ų11162%0.61962%0.615SS**Hα-helixtrans-65.5-47.5174.6-171.8176-65.5161.7-0.4111.4N763 I764 L765 L769 K770 E771N763-R767 WeakPolarHBondContact O-CB 3.37Å; N763-R767 PolarHBondContact O-N 3.28Å; I764-R767 PolarHBondContact O-N 3.43Å; L765-R767 PolarHBondContact O-N 3.31Å; R767-L769 PolarHBondContact O-N 3.08Å; R767-K770 PolarHBondContact O-N 3.31Å; R767-K770 VanDerWaalsContact O-N 3.13Å; R767-E771 WeakPolarHBondContact CG-OE1 3.28Å; R767-E771 WeakPolarHBondContact O-CG 3.4Å; R767-E771 PolarHBondContact O-N 3.07Å
768K50.3Low45.6Very low139 Ų139112.3 Ų112.360%0.60463%0.633SS**Hα-helixtrans-57.1-44.1176-81.9-76.6-176.7-178.90113.4I764 L765 K770 E771 A772I764-K768 PolarHBondContact O-N 3.48Å; L765-K768 PolarHBondContact O-N 3.43Å; K768-K770 VanDerWaalsContact C-N 3.33Å; K768-E771 PolarHBondContact O-N 3.41Å; K768-A772 PolarHBondContact O-N 3.42Å; K768-A772 VanDerWaalsContact O-N 3.14Å
769L47.6Very low44.9Very low104 Ų104120.1 Ų120.155%0.54566%0.66SS.*Hα-helixtrans-66.4-34.6176.7-83.5164.3000112.6L765 R767 A772 Q773L765-L769 HydrophobicContact CD2-CD1 3.76Å; L765-L769 HydrophobicContact CD2-CG 4.29Å; L765-L769 PolarHBondContact O-N 3.3Å; R767-L769 PolarHBondContact O-N 3.08Å; L769-A772 PolarHBondContact O-N 3.41Å; L769-Q773 PolarHBondContact O-N 3.49Å
770K41.9Very low44Very low168 Ų168119.1 Ų119.173%0.7367%0.668SS**Hα-helixtrans-73.1-32.4179.3-155.1169.4-170.7175.40112.8A766 R767 K768A766-K770 WeakPolarHBondContact O-CB 3.45Å; A766-K770 PolarHBondContact O-N 2.99Å; A766-K770 VanDerWaalsContact O-N 3.16Å; R767-K770 PolarHBondContact O-N 3.31Å; R767-K770 VanDerWaalsContact O-N 3.13Å; K768-K770 VanDerWaalsContact C-N 3.33Å
771E44.4Very low43.2Very low103 Ų103124.8 Ų124.848%0.48168%0.681SS.*Hα-helixtrans-68.7-38.9170.9-70.6162.6-179.300111.7R767 K768 Q773 S774R767-E771 WeakPolarHBondContact CG-OE1 3.28Å; R767-E771 WeakPolarHBondContact O-CG 3.4Å; R767-E771 PolarHBondContact O-N 3.07Å; K768-E771 PolarHBondContact O-N 3.41Å; E771-Q773 VanDerWaalsContact C-N 3.27Å; E771-Q773 PolarHBondContact O-N 3.49Å; E771-S774 PolarHBondContact O-N 3.46Å; E771-S774 PolarHBondContact O-OG 3.02Å
772A44.1Very low42.4Very low77 Ų77126.8 Ų126.864%0.63669%0.69SS**Hα-helixtrans-66-24.4178.900000114.1K768 L769K768-A772 PolarHBondContact O-N 3.42Å; K768-A772 VanDerWaalsContact O-N 3.14Å; L769-A772 PolarHBondContact O-N 3.41Å
773Q42.5Very low41.2Very low155 Ų155128.8 Ų128.872%0.72470%0.698SS**THydrogen-bonded Turntrans-91.8-4.8179.3-70.7-177.2-2800114.2L769 E771 C775L769-Q773 PolarHBondContact O-N 3.49Å; E771-Q773 VanDerWaalsContact C-N 3.27Å; E771-Q773 PolarHBondContact O-N 3.49Å; Q773-C775 VanDerWaalsContact C-N 3.33Å; Q773-C775 PolarHBondContact O-N 2.95Å
774S34.4Very low40.1Very low91 Ų91127.8 Ų127.864%0.63670%0.7SS**THydrogen-bonded Turntrans-832.6-179.541.20000115.9E771E771-S774 PolarHBondContact O-N 3.46Å; E771-S774 PolarHBondContact O-OG 3.02Å
775C35.1Very low38.4Very low122 Ų122128.2 Ų128.282%0.82471%0.712SS**THydrogen-bonded Turntrans-108.231.5-177.3-68.10000114.9Q773Q773-C775 VanDerWaalsContact C-N 3.33Å; Q773-C775 PolarHBondContact O-N 2.95Å
776S35Very low37.3Very low103 Ų103127.3 Ų127.372%0.7271%0.714SS**  trans-141.8121.1163.158.90000110.2
777G31.1Very low35.9Very low86 Ų86133.8 Ų133.889%0.88773%0.733SS**  trans-113.4114.3-169.200000114.7
778A31.7Very low34.7Very low106 Ų106132.7 Ų132.788%0.87674%0.739SS**  trans-149.4148.6156.600000109.3
779K33.9Very low33.5Very low222 Ų222132.8 Ų132.897%0.96575%0.751SS**  trans-106.6135.8-173.8-68.8171.4-1801680111.5
780G29.1Very low32.5Very low81 Ų81132.3 Ų132.384%0.83576%0.756SS**  trans-155.1120.5164.400000110.4
781R32.7Very low31.8Very low241 Ų241128.7 Ų128.791%0.90975%0.752SS**  trans-110.2136.1176.7-67.9174.3168.4177.9-5.3108.9
782Q30.7Very low31.1Very low154 Ų154129.4 Ų129.472%0.7277%0.768SS**  172139.4103.3-94-14627.400115.1
783R26.4Very low30.4Very low210 Ų210131.9 Ų131.979%0.79277%0.771SS**  trans60.7132.6139.7-116.7176.7-175.5147.9-5.3123.3
784S29Very low29.7Very low91 Ų91133 Ų13364%0.63677%0.769SS**  trans50.8106.7135.660.20000118.8
785S28.8Very low29.3Very low109 Ų109137.7 Ų137.776%0.76277%0.773SS**  90.8138.88971.30000111.8
786S28.4Very low29.1Very low91 Ų91139.5 Ų139.564%0.63677%0.766SS**  cis173.8171.23.240.50000106.8
787F25.7Very low28.9Very low192 Ų192139.5 Ų139.584%0.84276%0.758SS**  trans83.8163.7174-73.1-81.5000118.6
788N25.5Very low28.8Very low141 Ų141146.2 Ų146.275%0.75476%0.757SS**  trans-120.7-166.6-151.8-60-35.2000111.6
789V25.9Very low28.7Very low142 Ų142145.7 Ų145.786%0.86175%0.746SS**  trans82.2141.3163.6-172.40000114.5
790S25.6Very low28.6Very low93 Ų93141.5 Ų141.565%0.6573%0.734SS**  cis-168.9154-32.2-176.50000109.4
791S27.9Very low28.7Very low92 Ų92142.7 Ų142.764%0.64373%0.729SS**  trans39.8123146.9580000122.5
792S29.8Very low28.4Very low118 Ų118138.8 Ų138.883%0.82573%0.726SS**  trans69.6159.3139.577.30000118.1
793D28.6Very low29.6Very low130 Ų130136.5 Ų136.570%0.69572%0.724SS**  cis-151.4170-2.9-159.57.7000111.8
794R27.3Very low29.6Very low178 Ų178134.7 Ų134.767%0.67273%0.727SS**  trans45.9120.9147.2-85.7173.7174.9-163.6-2.3123.8
795R27.8Very low29.5Very low190 Ų190135.1 Ų135.172%0.71773%0.73SS**  77.5131121.2-78.3179.6173.9-167.9-2.1123.5
796K30.1Very low29.5Very low160 Ų160139.7 Ų139.770%0.69673%0.73SS**  trans69.2155.2140.2-66.6-175.9153-83.20118.8
797D30.5Very low29.5Very low103 Ų103139.9 Ų139.955%0.55172%0.724SS**  cis-165.1158.5-24.1-96.9-13000110.2
798W28.6Very low29.8Very low226 Ų226138.2 Ų138.286%0.85672%0.719SS**  trans65.7127.5150.2-78.4-26000125.3
799C29.8Very low29.8Very low95 Ų95136 Ų13664%0.64272%0.715SS**  67155.7128.3-65.70000121.9
800N31.4Very low29.9Very low134 Ų134134.5 Ų134.572%0.71771%0.71SS**  cis-165.6159.8-9.2-107.7-3.5000111.8
801S32.3Very low30.1Very low106 Ų106136.3 Ų136.374%0.74172%0.723SS**  trans62.5160.515057.50000121.8
802L27.2Very low30Very low159 Ų159135.6 Ų135.683%0.83273%0.73SS**  cis-152.4-135.7-22.8-99.9170.5000110.5
803P55Low29.9Very low106 Ų106134.1 Ų134.169%0.68873%0.733SS**  -134.1-155.9-116.144.1-22.4000118
804M26Very low30Very low173 Ų173133.3 Ų133.385%0.85274%0.738SS**  trans90.3150.6169.7-56.3-163.780.600117.9
805S27.4Very low31Very low99 Ų99129.2 Ų129.269%0.69274%0.735SS**  cis-165.6-176.5-22.359.30000112.9
806R29.1Very low31.1Very low205 Ų205130.5 Ų130.577%0.77474%0.741SS**  trans-26.4167.6169.2-85.2165.858.9167.2-2.8119.3
807D28.3Very low31.2Very low96 Ų96134.1 Ų134.151%0.51375%0.75SS.*  cis-167.8161.929.9-130.2-30.6000114.4
808Q30.9Very low31.4Very low157 Ų157137.4 Ų137.473%0.73477%0.767SS**  trans49.2161.4144.4-79.6165.170.700123.2
809S26.7Very low31.7Very low95 Ų95131.3 Ų131.366%0.66476%0.759SS**  cis-165.3166.4-950.30000114.4
810S27.9Very low32.1Very low109 Ų109135.2 Ų135.276%0.76277%0.768SS**  trans83118.1143.371.60000125.8
811S28.9Very low32.7Very low132 Ų132132.8 Ų132.892%0.92377%0.766SS**  trans78.3135.2130-151.70000124.5
812G27.2Very low33.2Very low76 Ų76137.5 Ų137.578%0.78478%0.776SS**  trans143.296.3147.300000120.3
813G26.2Very low34.1Very low87 Ų87138 Ų13890%0.89777%0.774SS**  trans100.7138.2144.300000121.7
814S31Very low33.3Very low113 Ų113143.6 Ų143.679%0.7978%0.782SS**  trans-149.4170.9159.875.40000107.8
815P48.6Very low33.6Very low93 Ų93144.5 Ų144.560%0.60479%0.786SS**  -157.2-174.870.534.1-8.2000117.7
816Y29.7Very low33.8Very low217 Ų217148 Ų14885%0.85180%0.796SS**  trans61.3125.3168.3-53.3-68.4000118.7
817R33.3Very low33.8Very low236 Ų236146 Ų14689%0.89180%0.801SS**  cis89.4109.211.2-157.1-171.7-166.8-1653.9117.6
818L33Very low34.1Very low172 Ų172149.6 Ų149.690%0.90182%0.819SS**  trans174.2155150.4-94.4170.7000106.9
819S36.7Very low34Very low98 Ų98149.6 Ų149.669%0.68582%0.824SS**  cis-151.7167.9-8.966.60000111.5
820E38Very low34.2Very low177 Ų177153 Ų15383%0.82783%0.834SS**  trans-10384.5-169-174.6178.8164.200110.9
821A44.1Very low34.2Very low82 Ų82154.2 Ų154.268%0.67884%0.837SS**  trans-138.6-30-17400000115.9
822E42.9Very low34.8Very low205 Ų205153.2 Ų153.296%0.95883%0.828SS**SBendtrans-99.922.7-172.7-60.7-176.5133.300113.5
823Q45.2Very low34.9Very low169 Ų169156.3 Ų156.379%0.7983%0.831SS**  trans-109.224.1-167-151.8170.2-1.100114.8
824R37.9Very low35.1Very low224 Ų224161.3 Ų161.385%0.84583%0.828SS**  trans-148.9105.3170.9-66.7-169.4-175.398.96.5112.6
825M32.4Very low35.2Very low193 Ų193162.2 Ų162.295%0.95183%0.829SS**  trans179.197140.1-103.8-177-65.600110.8
826L31.1Very low34.3Very low171 Ų171164.6 Ų164.690%0.89583%0.832SS**  trans-16090.6155.8-107.5178.9000107
827D30.6Very low34.6Very low163 Ų163161.5 Ų161.587%0.87283%0.825SS**  trans-178.5124.5160.9-102.2-20.7000108.1
828L33.3Very low34.7Very low173 Ų173162.6 Ų162.691%0.90684%0.836SS**  trans-170.294.3156.2-114.4172.1000108.8
829D29Very low34.7Very low156 Ų156162.1 Ų162.183%0.83483%0.833SS**  trans-77.7153.2175.3-133.2-24.1000111.1
830L30.8Very low34.6Very low167 Ų167165.5 Ų165.587%0.87484%0.841SS**  trans-85.4125.9178.7-79.5162000111.1
831T29.3Very low34.4Very low134 Ų134164.8 Ų164.882%0.82284%0.842SS**  trans-129.6148161.944.90000112
832P41.3Very low33.9Very low112 Ų112169.7 Ų169.773%0.72785%0.851SS**  trans-100.6168.9-156.239.2-37.5000114.8
833V28.6Very low33.3Very low140 Ų140167.5 Ų167.585%0.84884%0.844SS**  trans-116.4123.5163.8176.60000109.5
834F30.8Very low32.5Very low192 Ų192167.4 Ų167.484%0.84285%0.848SS**  trans-82.4145168.1-103.3-97.7000110.6
835V32.7Very low32.1Very low132 Ų132163.4 Ų163.480%0.885%0.848SS**  trans-133.991.9149.6-176.10000109.6
836Q30.2Very low32.1Very low143 Ų143161.1 Ų161.167%0.66884%0.84SS**  trans51.5114134.6-160.81660.200121.5
837E35.4Very low32.2Very low153 Ų153160.3 Ų160.372%0.71584%0.836SS**  trans57.4139.4146.7-63.5177.1101.500119.9
838K34.5Very low32.4Very low258 Ų258160 Ų160100%1.12283%0.833SS**  cis-148017.8-158.7171.8-170.8165.80112.9

Retrieved 838 of 838 residues in 538.6 ms (Link to these results)

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