A0A077ZCG8_TRITR Loading...

Amiloride sensitive sodium channel family

AlphaFold DB , UniProt , Accession A0A077ZCG8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 487 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M52.1Low63.7Low198 Ų198115.5 Ų115.598%0.97559%0.593SS**  0-38.30-100.2175162.900113.1R5M1-R5 PolarHBondContact O-N 3.44Å
2S60.3Low65.1Low102 Ų102112 Ų11271%0.71357%0.572SS**Hα-helixtrans-64.6-45.5-179.557.90000114F4 R5 Y6S2-F4 VanDerWaalsContact C-N 3.33Å; S2-F4 PolarHBondContact O-N 2.89Å; S2-R5 PolarHBondContact O-N 3.3Å; S2-Y6 PolarHBondContact O-N 2.93Å
3A56.5Low66.6Low66 Ų66109.8 Ų109.855%0.54556%0.556SS.*Hα-helixtrans-60.9-38.5-179.400000113.2Y6 L7A3-Y6 PolarHBondContact O-N 3.39Å; A3-L7 WeakPolarHBondContact O-CB 3.37Å; A3-L7 PolarHBondContact O-N 3.27Å
4F58.8Low67.8Low157 Ų157109.1 Ų109.169%0.68955%0.547SS*.Hα-helixtrans-69.2-41.8177.2-162.3-91.3000111.9S2 Y6 L7 E8S2-F4 VanDerWaalsContact C-N 3.33Å; S2-F4 PolarHBondContact O-N 2.89Å; F4-Y6 VanDerWaalsContact C-N 3.32Å; F4-Y6 PolarHBondContact O-N 2.92Å; F4-L7 PolarHBondContact O-N 3.04Å; F4-E8 PolarHBondContact O-N 3.37Å
5R60.7Low69Low132 Ų132107.5 Ų107.550%0.49854%0.536SS..Hα-helixtrans-61.1-42.1172.8-73.9-176.2-179.3-174.90111.2M1 S2 E8 T9M1-R5 PolarHBondContact O-N 3.44Å; S2-R5 PolarHBondContact O-N 3.3Å; R5-E8 PolarHBondContact O-N 2.92Å; R5-T9 WeakPolarHBondContact O-CB 3.49Å; R5-T9 PolarHBondContact O-N 3.05Å; R5-T9 PolarHBondContact O-OG1 3.15Å
6Y61.3Low70.1Confident182 Ų182102.7 Ų102.771%0.71451%0.511SS*.Hα-helixtrans-62.4-44.4177.5-170.6-94.6000111.6S2 A3 F4 T9 S10S2-Y6 PolarHBondContact O-N 2.93Å; A3-Y6 PolarHBondContact O-N 3.39Å; F4-Y6 VanDerWaalsContact C-N 3.32Å; F4-Y6 PolarHBondContact O-N 2.92Å; Y6-T9 PolarHBondContact O-N 3.32Å; Y6-S10 VanDerWaalsContact O-CB 3.3Å; Y6-S10 WeakPolarHBondContact O-CB 3.42Å; Y6-S10 PolarHBondContact O-N 3.36Å; Y6-S10 PolarHBondContact O-OG 3.05Å
7L61.5Low71.2Confident116 Ų11696.7 Ų96.761%0.60748%0.481SS*.Hα-helixtrans-61.3-47.8175.2-104.3139.3000112.6A3 F4 T9 S10 L11A3-L7 WeakPolarHBondContact O-CB 3.37Å; A3-L7 PolarHBondContact O-N 3.27Å; F4-L7 PolarHBondContact O-N 3.04Å; L7-T9 PolarHBondContact O-N 2.96Å; L7-S10 WeakPolarHBondContact CA-OG 3.34Å; L7-S10 PolarHBondContact O-N 3.17Å; L7-S10 PolarHBondContact O-OG 2.91Å; L7-L11 WeakPolarHBondContact O-CB 3.35Å; L7-L11 PolarHBondContact O-N 3.15Å
8E67Low72Confident87 Ų8795.3 Ų95.341%0.40747%0.473SS..Hα-helixtrans-62.2-44.2178-165-171.4151.800111.7F4 R5 S10 L11 E12 K449F4-E8 PolarHBondContact O-N 3.37Å; R5-E8 PolarHBondContact O-N 2.92Å; E8-S10 VanDerWaalsContact C-N 3.32Å; E8-S10 PolarHBondContact O-N 2.93Å; E8-L11 PolarHBondContact O-N 3.38Å; E8-E12 WeakPolarHBondContact O-CB 3.3Å; E8-E12 WeakPolarHBondContact O-CG 3.45Å; E8-E12 PolarHBondContact O-N 3.5Å; E8-K449 IonicContact OE1-NZ 2.85Å; E8-K449 PolarHBondContact OE1-NZ 3.47Å
9T69.8Low72.7Confident82 Ų82100 Ų10050%0.50349%0.486SS..Hα-helixtrans-63.7-39.8176.5-43.50000111.1R5 Y6 L7 F13R5-T9 WeakPolarHBondContact O-CB 3.49Å; R5-T9 PolarHBondContact O-N 3.05Å; R5-T9 PolarHBondContact O-OG1 3.15Å; Y6-T9 PolarHBondContact O-N 3.32Å; L7-T9 PolarHBondContact O-N 2.96Å; T9-F13 VanDerWaalsContact O-CB 3.28Å; T9-F13 WeakPolarHBondContact O-CB 3.34Å; T9-F13 PolarHBondContact O-N 2.92Å
10S73.9Confident73.5Confident53 Ų5395.8 Ų95.837%0.37147%0.467SS..Hα-helixtrans-67.2-36.4177.775.40000112.9Y6 L7 E8 K14Y6-S10 VanDerWaalsContact O-CB 3.3Å; Y6-S10 WeakPolarHBondContact O-CB 3.42Å; Y6-S10 PolarHBondContact O-N 3.36Å; Y6-S10 PolarHBondContact O-OG 3.05Å; L7-S10 WeakPolarHBondContact CA-OG 3.34Å; L7-S10 PolarHBondContact O-N 3.17Å; L7-S10 PolarHBondContact O-OG 2.91Å; E8-S10 VanDerWaalsContact C-N 3.32Å; E8-S10 PolarHBondContact O-N 2.93Å; S10-K14 WeakPolarHBondContact O-CB 3.27Å; S10-K14 PolarHBondContact O-N 3Å
11L78.6Confident74.2Confident95 Ų9594.2 Ų94.250%0.49746%0.463SS..Hα-helixtrans-71.6-44.4178-176.667.6000111.3L7 E8 F13 K14 K15L7-L11 WeakPolarHBondContact O-CB 3.35Å; L7-L11 PolarHBondContact O-N 3.15Å; E8-L11 PolarHBondContact O-N 3.38Å; L11-F13 VanDerWaalsContact C-N 3.31Å; L11-F13 PolarHBondContact O-N 2.77Å; L11-K14 PolarHBondContact O-N 3.4Å; L11-K15 WeakPolarHBondContact O-CG 3.23Å; L11-K15 PolarHBondContact O-N 3.48Å
12E80.9Confident76Confident74 Ų7486.3 Ų86.335%0.34643%0.425SS..Hα-helixtrans-63.5-38.8176.4-71.2-67115.200111.4E8 K15 F16E8-E12 WeakPolarHBondContact O-CB 3.3Å; E8-E12 WeakPolarHBondContact O-CG 3.45Å; E8-E12 PolarHBondContact O-N 3.5Å; E12-K15 PolarHBondContact O-N 2.73Å; E12-K15 IonicContact OE1-NZ 3.08Å; E12-K15 PolarHBondContact OE1-NZ 2.88Å; E12-K15 VanDerWaalsContact OE1-NZ 3.08Å; E12-F16 WeakPolarHBondContact O-CB 3.3Å; E12-F16 PolarHBondContact O-N 2.88Å
13F83.8Confident77.4Confident83 Ų8387.8 Ų87.836%0.36442%0.42SS..Hα-helixtrans-66.3-41.2173.6-177.8-110.5000112.3T9 L11 F16 C17 W28 F442T9-F13 VanDerWaalsContact O-CB 3.28Å; T9-F13 WeakPolarHBondContact O-CB 3.34Å; T9-F13 PolarHBondContact O-N 2.92Å; L11-F13 VanDerWaalsContact C-N 3.31Å; L11-F13 PolarHBondContact O-N 2.77Å; F13-F16 WeakPolarHBondContact O-CB 3.38Å; F13-F16 PolarHBondContact O-N 2.96Å; F13-C17 PolarHBondContact O-N 2.87Å; F13-C17 PolarHBondContact O-SG 2.95Å; F13-W28 HydrophobicContact CE1-CH2 4.14Å; F13-W28 AromaticContact CE1-CZ3 3.77Å; F13-W28 HydrophobicContact CE1-CZ3 3.77Å; F13-W28 HydrophobicContact CZ-CZ3 4.15Å; F13-F442 HydrophobicContact CB-CZ 4.47Å; F13-F442 HydrophobicContact CD2-CE1 4.35Å; F13-F442 AromaticContact CD2-CZ 3.97Å; F13-F442 HydrophobicContact CD2-CZ 3.97Å
14K84.4Confident79.1Confident100 Ų10085 Ų8544%0.43540%0.398SS..Hα-helixtrans-62-45.2175.1-171.2176.8-178.1-1790111.6S10 L11 F16 C17 Q18S10-K14 WeakPolarHBondContact O-CB 3.27Å; S10-K14 PolarHBondContact O-N 3Å; L11-K14 PolarHBondContact O-N 3.4Å; K14-F16 VanDerWaalsContact C-N 3.31Å; K14-F16 PolarHBondContact O-N 2.84Å; K14-C17 PolarHBondContact O-N 2.98Å; K14-Q18 WeakPolarHBondContact O-CG 3.48Å; K14-Q18 PolarHBondContact O-N 3.49Å
15K85.4Confident80.6Confident86 Ų8678.8 Ų78.837%0.37437%0.372SS..Hα-helixtrans-59-44173.4-72.4176.3-173.3168.80111.3L11 E12 C17 Q18 Y19L11-K15 WeakPolarHBondContact O-CG 3.23Å; L11-K15 PolarHBondContact O-N 3.48Å; E12-K15 PolarHBondContact O-N 2.73Å; E12-K15 IonicContact OE1-NZ 3.08Å; E12-K15 PolarHBondContact OE1-NZ 2.88Å; E12-K15 VanDerWaalsContact OE1-NZ 3.08Å; K15-C17 VanDerWaalsContact C-N 3.34Å; K15-C17 PolarHBondContact O-N 2.99Å; K15-Q18 PolarHBondContact O-N 3.49Å; K15-Y19 HydrophobicContact CB-CD2 4.41Å; K15-Y19 HydrophobicContact CB-CE2 4.49Å; K15-Y19 WeakPolarHBondContact O-CD2 3.31Å; K15-Y19 PolarHBondContact O-N 3.37Å
16F87Confident82Confident30 Ų3075.3 Ų75.313%0.13236%0.363CS..Hα-helixtrans-58-47.4175.8176.3-96.7000111.1E12 F13 K14 Q18 Y19 S20 L25 L439 F442E12-F16 WeakPolarHBondContact O-CB 3.3Å; E12-F16 PolarHBondContact O-N 2.88Å; F13-F16 WeakPolarHBondContact O-CB 3.38Å; F13-F16 PolarHBondContact O-N 2.96Å; K14-F16 VanDerWaalsContact C-N 3.31Å; K14-F16 PolarHBondContact O-N 2.84Å; F16-Q18 VanDerWaalsContact C-N 3.3Å; F16-Q18 PolarHBondContact O-N 3.15Å; F16-Y19 PolarHBondContact O-N 3.42Å; F16-S20 WeakPolarHBondContact O-CA 3.45Å; F16-S20 WeakPolarHBondContact O-CB 3.47Å; F16-S20 PolarHBondContact O-N 3.07Å; F16-L25 HydrophobicContact CD1-CD2 4.13Å; F16-L25 HydrophobicContact CE1-CD2 3.8Å; F16-L439 HydrophobicContact CE1-CD2 3.9Å; F16-L439 HydrophobicContact CE2-CD2 4.44Å; F16-L439 HydrophobicContact CZ-CD2 3.43Å; F16-L439 VanDerWaalsContact CZ-CD2 3.43Å; F16-L439 HydrophobicContact CZ-CG 4.05Å; F16-F442 HydrophobicContact CB-CD2 3.88Å; F16-F442 HydrophobicContact CB-CE2 3.78Å; F16-F442 HydrophobicContact CB-CZ 4.42Å; F16-F442 HydrophobicContact CD2-CB 3.88Å; F16-F442 AromaticContact CD2-CD2 3.75Å; F16-F442 HydrophobicContact CD2-CD2 3.75Å; F16-F442 HydrophobicContact CD2-CE2 4.46Å; F16-F442 AromaticContact CD2-CG 3.8Å; F16-F442 HydrophobicContact CD2-CG 3.8Å; F16-F442 HydrophobicContact CE2-CB 3.89Å; F16-F442 HydrophobicContact CE2-CG 4.16Å; F16-F442 AromaticContact CG-CD2 3.85Å; F16-F442 HydrophobicContact CG-CD2 3.85Å; F16-F442 HydrophobicContact CG-CE2 4.1Å; F16-F442 HydrophobicContact CG-CG 4.08Å
17C87.8Confident83.4Confident1 Ų170.1 Ų70.11%0.00735%0.348CS..Hα-helixtrans-59.8-39.5178.4-63.20000112.5F13 K14 K15 L25F13-C17 PolarHBondContact O-N 2.87Å; F13-C17 PolarHBondContact O-SG 2.95Å; K14-C17 PolarHBondContact O-N 2.98Å; K15-C17 VanDerWaalsContact C-N 3.34Å; K15-C17 PolarHBondContact O-N 2.99Å; C17-L25 HydrophobicContact CB-CD2 4.26Å; C17-L25 HydrophobicContact CB-CG 3.96Å
18Q86.3Confident84.9Confident72 Ų7267.5 Ų67.534%0.33633%0.33SS..Hα-helixtrans-71.2-33.6179.9-72.6178-31.200113.6K14 K15 F16 E30K14-Q18 WeakPolarHBondContact O-CG 3.48Å; K14-Q18 PolarHBondContact O-N 3.49Å; K15-Q18 PolarHBondContact O-N 3.49Å; F16-Q18 VanDerWaalsContact C-N 3.3Å; F16-Q18 PolarHBondContact O-N 3.15Å; Q18-E30 PolarHBondContact NE2-OE1 3.31Å
19Y86.2Confident86Confident184 Ų18464.5 Ų64.572%0.72232%0.318SS*.Hα-helixtrans-99.1-2.8179.1-64.4-62.4000113.9K15 F16K15-Y19 HydrophobicContact CB-CD2 4.41Å; K15-Y19 HydrophobicContact CB-CE2 4.49Å; K15-Y19 WeakPolarHBondContact O-CD2 3.31Å; K15-Y19 PolarHBondContact O-N 3.37Å; F16-Y19 PolarHBondContact O-N 3.42Å
20S87.6Confident87Confident16 Ų1665.8 Ų65.811%0.11232%0.319CS..  trans-68142179.6-166.60000109.7F16 L22F16-S20 WeakPolarHBondContact O-CA 3.45Å; F16-S20 WeakPolarHBondContact O-CB 3.47Å; F16-S20 PolarHBondContact O-N 3.07Å; S20-L22 WeakPolarHBondContact OG-CB 3.44Å; S20-L22 PolarHBondContact OG-N 3.35Å
21T87.9Confident87.7Confident62 Ų6263.8 Ų63.838%0.3831%0.306SS..  trans-84.51.3169.847.40000112.2H23 T435 Q438T21-H23 PolarHBondContact O-N 3.02Å; T21-T435 VanDerWaalsContact OG1-CB 3.28Å; T21-T435 WeakPolarHBondContact OG1-CB 3.4Å; T21-T435 VanDerWaalsContact OG1-CG2 3.27Å; T21-T435 WeakPolarHBondContact OG1-CG2 3.15Å; T21-T435 PolarHBondContact OG1-OG1 3.44Å; T21-Q438 PolarHBondContact OG1-OE1 3.26Å; T21-Q438 VanDerWaalsContact OG1-OE1 3.06Å
22L89.9Confident88Confident32 Ų3264.1 Ų64.117%0.16832%0.322CS..SBendtrans-71.9122.6170.9-70.3169.9000110.6S20 L25 L429 T435 L439S20-L22 WeakPolarHBondContact OG-CB 3.44Å; S20-L22 PolarHBondContact OG-N 3.35Å; L22-L25 HydrophobicContact CB-CB 4.19Å; L22-L25 HydrophobicContact CB-CD2 4.43Å; L22-L25 HydrophobicContact CD1-CD2 4.18Å; L22-L25 PolarHBondContact O-N 3.45Å; L22-L429 HydrophobicContact CD2-CB 4.02Å; L22-T435 HydrophobicContact CD2-CG2 3.63Å; L22-T435 HydrophobicContact CG-CG2 3.55Å; L22-L439 HydrophobicContact CD1-CD1 4.17Å; L22-L439 HydrophobicContact CD1-CD2 4.11Å; L22-L439 HydrophobicContact CD1-CG 4.41Å
23H91.1Very high88.5Confident134 Ų13468.4 Ų68.462%0.6234%0.339SS*.THydrogen-bonded Turntrans-66.7143.4179.5-69.3-177.9000111.4T21 L25 L44 L429T21-H23 PolarHBondContact O-N 3.02Å; H23-L25 PolarHBondContact O-N 3.21Å; H23-L25 VanDerWaalsContact O-N 3.15Å; H23-L44 WeakPolarHBondContact O-CD2 3.49Å; H23-L429 PolarHBondContact N-O 3.05Å
24G90.5Very high88.7Confident8 Ų874.2 Ų74.28%0.08236%0.359CS..THydrogen-bonded Turntrans76.3-15.1-179.800000115.3D27 W28G24-D27 PolarHBondContact O-N 2.96Å; G24-W28 VanDerWaalsContact O-CB 3.3Å; G24-W28 WeakPolarHBondContact O-CB 3.43Å; G24-W28 PolarHBondContact O-N 2.9Å
25L90.6Very high89.1Confident26 Ų2672.6 Ų72.614%0.13636%0.359CS..Hα-helixtrans-69.9-40.8179.4-168.667.6000111.7F16 C17 L22 H23 W28 S29F16-L25 HydrophobicContact CD1-CD2 4.13Å; F16-L25 HydrophobicContact CE1-CD2 3.8Å; C17-L25 HydrophobicContact CB-CD2 4.26Å; C17-L25 HydrophobicContact CB-CG 3.96Å; L22-L25 HydrophobicContact CB-CB 4.19Å; L22-L25 HydrophobicContact CB-CD2 4.43Å; L22-L25 HydrophobicContact CD1-CD2 4.18Å; L22-L25 PolarHBondContact O-N 3.45Å; H23-L25 PolarHBondContact O-N 3.21Å; H23-L25 VanDerWaalsContact O-N 3.15Å; L25-W28 HydrophobicContact CD1-CE3 4.35Å; L25-S29 WeakPolarHBondContact O-CB 3.44Å; L25-S29 PolarHBondContact O-N 3.32Å; L25-S29 VanDerWaalsContact O-N 3.07Å
26N90.8Very high89.4Confident59 Ų5972.6 Ų72.632%0.31636%0.363SS..Hα-helixtrans-62.8-48.6173.4-176.238.9000110.9W28 S29 E30N26-W28 VanDerWaalsContact C-N 3.33Å; N26-W28 PolarHBondContact O-N 3.28Å; N26-S29 WeakPolarHBondContact O-CA 3.48Å; N26-S29 WeakPolarHBondContact O-CB 3.4Å; N26-S29 PolarHBondContact O-N 3.35Å; N26-S29 PolarHBondContact O-OG 3.36Å; N26-E30 PolarHBondContact O-N 2.88Å
27D91.5Very high89.7Confident73 Ų7375.4 Ų75.439%0.3938%0.375SS..Hα-helixtrans-60.8-40179.5-56-69.6000112.5G24 S29 E30 A31 W40G24-D27 PolarHBondContact O-N 2.96Å; D27-S29 VanDerWaalsContact C-N 3.32Å; D27-S29 PolarHBondContact O-N 3.39Å; D27-E30 PolarHBondContact O-N 3.24Å; D27-A31 WeakPolarHBondContact O-CB 3.49Å; D27-A31 PolarHBondContact O-N 3.49Å; D27-W40 HydrophobicContact CB-CD2 3.93Å; D27-W40 HydrophobicContact CB-CE3 4.38Å; D27-W40 HydrophobicContact CB-CG 4.41Å; D27-W40 HydrophobicContact CB-CH2 4.16Å; D27-W40 HydrophobicContact CB-CZ2 3.68Å; D27-W40 HydrophobicContact CB-CZ3 4.49Å
28W92.3Very high90Very high60 Ų6078.5 Ų78.523%0.22739%0.394CS..Hα-helixtrans-63.7-36.5172.8176.680000112.6F13 G24 L25 N26 W40 S41 L44F13-W28 HydrophobicContact CE1-CH2 4.14Å; F13-W28 AromaticContact CE1-CZ3 3.77Å; F13-W28 HydrophobicContact CE1-CZ3 3.77Å; F13-W28 HydrophobicContact CZ-CZ3 4.15Å; G24-W28 VanDerWaalsContact O-CB 3.3Å; G24-W28 WeakPolarHBondContact O-CB 3.43Å; G24-W28 PolarHBondContact O-N 2.9Å; L25-W28 HydrophobicContact CD1-CE3 4.35Å; N26-W28 VanDerWaalsContact C-N 3.33Å; N26-W28 PolarHBondContact O-N 3.28Å; W28-W40 HydrophobicContact CB-CB 3.95Å; W28-W40 HydrophobicContact CG-CB 4.43Å; W28-S41 PolarHBondContact NE1-OG 3.23Å; W28-L44 HydrophobicContact CB-CD1 3.81Å; W28-L44 HydrophobicContact CG-CD1 4.12Å
29S89.8Confident90.4Very high24 Ų2480.4 Ų80.417%0.16840%0.401CS..Hα-helixtrans-75.1-32.3179.883.70000113.5L25 N26 D27L25-S29 WeakPolarHBondContact O-CB 3.44Å; L25-S29 PolarHBondContact O-N 3.32Å; L25-S29 VanDerWaalsContact O-N 3.07Å; N26-S29 WeakPolarHBondContact O-CA 3.48Å; N26-S29 WeakPolarHBondContact O-CB 3.4Å; N26-S29 PolarHBondContact O-N 3.35Å; N26-S29 PolarHBondContact O-OG 3.36Å; D27-S29 VanDerWaalsContact C-N 3.32Å; D27-S29 PolarHBondContact O-N 3.39Å
30E90.2Very high90.8Very high109 Ų10974.8 Ų74.851%0.50938%0.379SS..Hα-helixtrans-84.2-17.8178.3-73.9-76.314000112.7Q18 N26 D27 A32Q18-E30 PolarHBondContact NE2-OE1 3.31Å; N26-E30 PolarHBondContact O-N 2.88Å; D27-E30 PolarHBondContact O-N 3.24Å; E30-A32 PolarHBondContact O-N 3.25Å
31A89.9Confident91.1Very high12 Ų1276.4 Ų76.410%0.09939%0.39CS..  trans-60.4102-179.400000112.8D27 L36 K37D27-A31 WeakPolarHBondContact O-CB 3.49Å; D27-A31 PolarHBondContact O-N 3.49Å; A31-L36 HydrophobicContact CB-CB 4.35Å; A31-L36 HydrophobicContact CB-CD2 4.14Å; A31-L36 HydrophobicContact CB-CG 4.03Å; A31-K37 HydrophobicContact CB-CB 4.08Å
32A84.7Confident91.4Very high102 Ų10278.8 Ų78.884%0.84340%0.4SS*.  trans-73.7-33-176.300000114.2E30E30-A32 PolarHBondContact O-N 3.25Å
33K90.3Very high91.7Very high163 Ų16379.8 Ų79.871%0.70941%0.408SS*.SBendtrans-101.8141.9-176.5-63.6-177.1-179.8177.70111L36 K37K33-L36 PolarHBondContact O-N 3.43Å; K33-K37 PolarHBondContact O-N 2.86Å; K33-K37 VanDerWaalsContact O-N 3.15Å
34W89.6Confident91.8Very high205 Ų20575.4 Ų75.478%0.77739%0.388SS*.Hα-helixtrans-54.3-39.2-178.379.1-88.1000115L36 K37 T38W34-L36 PolarHBondContact O-N 2.93Å; W34-K37 PolarHBondContact O-N 3.45Å; W34-T38 PolarHBondContact O-N 3.49Å; W34-T38 PolarHBondContact O-OG1 2.85Å
35P92.4Very high92.1Very high67 Ų6779.7 Ų79.744%0.43541%0.409SS..Hα-helixtrans-68.1-39.2-176.4-17.733.3000112T38 F39P35-T38 PolarHBondContact O-N 3.45Å; P35-F39 PolarHBondContact O-N 2.93Å
36L92.3Very high92.4Very high85 Ų8584.2 Ų84.245%0.44543%0.433SS..Hα-helixtrans-68.8-37.8177.3-175.162000111A31 K33 W34 F39 W40A31-L36 HydrophobicContact CB-CB 4.35Å; A31-L36 HydrophobicContact CB-CD2 4.14Å; A31-L36 HydrophobicContact CB-CG 4.03Å; K33-L36 PolarHBondContact O-N 3.43Å; W34-L36 PolarHBondContact O-N 2.93Å; L36-F39 HydrophobicContact CD1-CD1 4.46Å; L36-F39 WeakPolarHBondContact O-CB 3.29Å; L36-F39 PolarHBondContact O-N 3.47Å; L36-W40 VanDerWaalsContact O-CD1 3.27Å; L36-W40 PolarHBondContact O-N 3.19Å
37K92.5Very high92.6Very high89 Ų8982 Ų8239%0.38742%0.423SS..Hα-helixtrans-65.1-40.9174.9-163.8168.3-171.6169.20111.7A31 K33 W34 S41A31-K37 HydrophobicContact CB-CB 4.08Å; K33-K37 PolarHBondContact O-N 2.86Å; K33-K37 VanDerWaalsContact O-N 3.15Å; W34-K37 PolarHBondContact O-N 3.45Å; K37-S41 WeakPolarHBondContact O-CB 3.3Å; K37-S41 PolarHBondContact O-N 2.92Å; K37-S41 PolarHBondContact O-OG 3.33Å
38T93.9Very high92.8Very high66 Ų6683.4 Ų83.441%0.40543%0.429SS..Hα-helixtrans-62.3-43.8172.8-59.70000111.6W34 P35 S41 L42W34-T38 PolarHBondContact O-N 3.49Å; W34-T38 PolarHBondContact O-OG1 2.85Å; P35-T38 PolarHBondContact O-N 3.45Å; T38-S41 PolarHBondContact O-N 3.46Å; T38-L42 HydrophobicContact CG2-CD1 4.18Å; T38-L42 WeakPolarHBondContact O-CG 3.31Å; T38-L42 PolarHBondContact O-N 2.64Å
39F94.7Very high93Very high113 Ų11384.2 Ų84.250%0.49644%0.443SS..Hα-helixtrans-57.2-54.8175.6172.8-97000111.7P35 L36 S41 L42 T43P35-F39 PolarHBondContact O-N 2.93Å; L36-F39 HydrophobicContact CD1-CD1 4.46Å; L36-F39 WeakPolarHBondContact O-CB 3.29Å; L36-F39 PolarHBondContact O-N 3.47Å; F39-S41 VanDerWaalsContact C-N 3.31Å; F39-S41 PolarHBondContact O-N 2.9Å; F39-L42 PolarHBondContact O-N 2.87Å; F39-L42 VanDerWaalsContact O-N 3.15Å; F39-T43 PolarHBondContact O-N 3.42Å; F39-T43 PolarHBondContact O-OG1 3.48Å; F39-T43 VanDerWaalsContact O-OG1 3.05Å
40W94.1Very high93.3Very high65 Ų6584.1 Ų84.125%0.24644%0.444CS..Hα-helixtrans-63.5-35.7179.2-74.9118000113D27 W28 L36 T43 L44D27-W40 HydrophobicContact CB-CD2 3.93Å; D27-W40 HydrophobicContact CB-CE3 4.38Å; D27-W40 HydrophobicContact CB-CG 4.41Å; D27-W40 HydrophobicContact CB-CH2 4.16Å; D27-W40 HydrophobicContact CB-CZ2 3.68Å; D27-W40 HydrophobicContact CB-CZ3 4.49Å; W28-W40 HydrophobicContact CB-CB 3.95Å; W28-W40 HydrophobicContact CG-CB 4.43Å; L36-W40 VanDerWaalsContact O-CD1 3.27Å; L36-W40 PolarHBondContact O-N 3.19Å; W40-T43 PolarHBondContact O-N 2.97Å; W40-L44 VanDerWaalsContact O-CB 3.31Å; W40-L44 WeakPolarHBondContact O-CB 3.28Å; W40-L44 VanDerWaalsContact O-CG 3.27Å; W40-L44 WeakPolarHBondContact O-CG 3.35Å; W40-L44 PolarHBondContact O-N 2.98Å
41S93.5Very high93.6Very high51 Ų5179.1 Ų79.136%0.35742%0.422SS..Hα-helixtrans-60.6-44.1172.5-77.40000112.6W28 K37 T38 F39 L45W28-S41 PolarHBondContact NE1-OG 3.23Å; K37-S41 WeakPolarHBondContact O-CB 3.3Å; K37-S41 PolarHBondContact O-N 2.92Å; K37-S41 PolarHBondContact O-OG 3.33Å; T38-S41 PolarHBondContact O-N 3.46Å; F39-S41 VanDerWaalsContact C-N 3.31Å; F39-S41 PolarHBondContact O-N 2.9Å; S41-L45 VanDerWaalsContact O-CB 3.23Å; S41-L45 WeakPolarHBondContact O-CB 3.48Å; S41-L45 PolarHBondContact O-N 3.26Å
42L95.9Very high93.9Very high111 Ų11180.6 Ų80.658%0.58144%0.438SS*.Hα-helixtrans-67.5-41.7177.4-70.5173.5000111.6T38 F39 L45 L46T38-L42 HydrophobicContact CG2-CD1 4.18Å; T38-L42 WeakPolarHBondContact O-CG 3.31Å; T38-L42 PolarHBondContact O-N 2.64Å; F39-L42 PolarHBondContact O-N 2.87Å; F39-L42 VanDerWaalsContact O-N 3.15Å; L42-L45 PolarHBondContact O-N 2.9Å; L42-L46 WeakPolarHBondContact O-CB 3.47Å; L42-L46 PolarHBondContact O-N 3.48Å
43T94.9Very high94.5Very high54 Ų5483.8 Ų83.833%0.33143%0.429SS..Hα-helixtrans-63.5-47.1177.5-56.10000111.7F39 W40 L45 L46 A47F39-T43 PolarHBondContact O-N 3.42Å; F39-T43 PolarHBondContact O-OG1 3.48Å; F39-T43 VanDerWaalsContact O-OG1 3.05Å; W40-T43 PolarHBondContact O-N 2.97Å; T43-L45 VanDerWaalsContact C-N 3.35Å; T43-L45 PolarHBondContact O-N 3.31Å; T43-L46 PolarHBondContact O-N 2.95Å; T43-A47 WeakPolarHBondContact O-CB 3.44Å; T43-A47 PolarHBondContact O-N 2.91Å
44L94.5Very high94.8Very high41 Ų4176.5 Ų76.522%0.21540%0.4CS..Hα-helixtrans-64-39.3176.8-73.8171.4000111.9H23 W28 W40 A47 L48H23-L44 WeakPolarHBondContact O-CD2 3.49Å; W28-L44 HydrophobicContact CB-CD1 3.81Å; W28-L44 HydrophobicContact CG-CD1 4.12Å; W40-L44 VanDerWaalsContact O-CB 3.31Å; W40-L44 WeakPolarHBondContact O-CB 3.28Å; W40-L44 VanDerWaalsContact O-CG 3.27Å; W40-L44 WeakPolarHBondContact O-CG 3.35Å; W40-L44 PolarHBondContact O-N 2.98Å; L44-A47 PolarHBondContact O-N 3.19Å; L44-L48 VanDerWaalsContact O-CB 3.31Å; L44-L48 WeakPolarHBondContact O-CB 3.41Å; L44-L48 PolarHBondContact O-N 3.31Å
45L95.6Very high95.2Very high99 Ų9968.3 Ų68.352%0.51837%0.374SS..Hα-helixtrans-64.4-45.8175.9-177.564.9000111.1S41 L42 T43 L48 C49S41-L45 VanDerWaalsContact O-CB 3.23Å; S41-L45 WeakPolarHBondContact O-CB 3.48Å; S41-L45 PolarHBondContact O-N 3.26Å; L42-L45 PolarHBondContact O-N 2.9Å; T43-L45 VanDerWaalsContact C-N 3.35Å; T43-L45 PolarHBondContact O-N 3.31Å; L45-L48 PolarHBondContact O-N 3.13Å; L45-C49 WeakPolarHBondContact O-CB 3.45Å; L45-C49 PolarHBondContact O-N 3.17Å; L45-C49 PolarHBondContact O-SG 3.08Å; L45-C49 VanDerWaalsContact O-SG 3.32Å
46L96.3Very high95.4Very high121 Ų12171.9 Ų71.963%0.63438%0.38SS*.Hα-helixtrans-60.7-46.4176.4179.164.2000111.2L42 T43 L48 C49 A50L42-L46 WeakPolarHBondContact O-CB 3.47Å; L42-L46 PolarHBondContact O-N 3.48Å; T43-L46 PolarHBondContact O-N 2.95Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L46-L48 PolarHBondContact O-N 3.21Å; L46-C49 PolarHBondContact O-N 2.9Å; L46-A50 VanDerWaalsContact O-CB 3.3Å; L46-A50 WeakPolarHBondContact O-CB 3.12Å; L46-A50 PolarHBondContact O-N 3.46Å
47A96Very high95.6Very high13 Ų1369.4 Ų69.411%0.10737%0.369CS..Hα-helixtrans-60.1-43.7176.700000111.8T43 L44 A50 A51 W428 L429T43-A47 WeakPolarHBondContact O-CB 3.44Å; T43-A47 PolarHBondContact O-N 2.91Å; L44-A47 PolarHBondContact O-N 3.19Å; A47-A50 PolarHBondContact O-N 3.46Å; A47-A51 VanDerWaalsContact O-CB 3.29Å; A47-A51 WeakPolarHBondContact O-CB 3.42Å; A47-A51 PolarHBondContact O-N 2.79Å; A47-W428 HydrophobicContact CB-CB 4.43Å; A47-W428 WeakPolarHBondContact CB-O 3.19Å; A47-L429 HydrophobicContact CB-CD2 4.4Å
48L94.8Very high95.8Very high101 Ų10165.8 Ų65.853%0.52935%0.354SS..Hα-helixtrans-64.2-43.8176.3-178.264.9000112.1L44 L45 L46 G52 L429L44-L48 VanDerWaalsContact O-CB 3.31Å; L44-L48 WeakPolarHBondContact O-CB 3.41Å; L44-L48 PolarHBondContact O-N 3.31Å; L45-L48 PolarHBondContact O-N 3.13Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L46-L48 PolarHBondContact O-N 3.21Å; L48-G52 PolarHBondContact O-N 3.4Å; L48-L429 HydrophobicContact CD1-CD1 4.47Å
49C97.1Very high95.9Very high77 Ų7765.3 Ų65.352%0.5235%0.351SS..Hα-helixtrans-63.3-43.4176.1-72.90000111.7L45 L46 G52 Y53L45-C49 WeakPolarHBondContact O-CB 3.45Å; L45-C49 PolarHBondContact O-N 3.17Å; L45-C49 PolarHBondContact O-SG 3.08Å; L45-C49 VanDerWaalsContact O-SG 3.32Å; L46-C49 PolarHBondContact O-N 2.9Å; C49-G52 PolarHBondContact O-N 3.01Å; C49-Y53 WeakPolarHBondContact O-CB 3.15Å; C49-Y53 PolarHBondContact O-N 3.48Å
50A96.8Very high95.9Very high22 Ų2263.1 Ų63.118%0.18234%0.343CS..Hα-helixtrans-66.1-43.5178.100000111.9L46 A47 Y53 G54 W428L46-A50 VanDerWaalsContact O-CB 3.3Å; L46-A50 WeakPolarHBondContact O-CB 3.12Å; L46-A50 PolarHBondContact O-N 3.46Å; A47-A50 PolarHBondContact O-N 3.46Å; A50-Y53 PolarHBondContact O-N 3.31Å; A50-G54 PolarHBondContact O-N 2.97Å; A50-W428 HydrophobicContact CB-CD2 3.64Å; A50-W428 HydrophobicContact CB-CE3 3.72Å; A50-W428 HydrophobicContact CB-CG 4.36Å; A50-W428 HydrophobicContact CB-CH2 3.72Å; A50-W428 HydrophobicContact CB-CZ2 3.63Å; A50-W428 HydrophobicContact CB-CZ3 3.75Å
51A95.9Very high95.9Very high5 Ų564.7 Ų64.74%0.04135%0.353CS..Hα-helixtrans-60.2-45.9173.300000111.7A47 G54 C55 W428 L429A47-A51 VanDerWaalsContact O-CB 3.29Å; A47-A51 WeakPolarHBondContact O-CB 3.42Å; A47-A51 PolarHBondContact O-N 2.79Å; A51-G54 PolarHBondContact O-N 2.87Å; A51-C55 WeakPolarHBondContact O-CB 3.41Å; A51-C55 PolarHBondContact O-N 2.85Å; A51-C55 PolarHBondContact O-SG 2.89Å; A51-C55 VanDerWaalsContact O-SG 3.34Å; A51-W428 HydrophobicContact CB-CB 3.76Å; A51-W428 HydrophobicContact CB-CG 4.02Å; A51-L429 HydrophobicContact CB-CG 4.48Å
52G96.3Very high95.9Very high42 Ų4265.5 Ų65.543%0.43335%0.348SS..Hα-helixtrans-61.7-45.5178.100000112.5L48 C49 Y56L48-G52 PolarHBondContact O-N 3.4Å; C49-G52 PolarHBondContact O-N 3.01Å; G52-Y56 WeakPolarHBondContact O-CB 3.43Å; G52-Y56 PolarHBondContact O-N 3.09Å
53Y97.5Very high95.7Very high169 Ų16966 Ų6666%0.66335%0.35SS*.Hα-helixtrans-64.6-43.8176179.6-101.2000112.2C49 A50 Y56 S57C49-Y53 WeakPolarHBondContact O-CB 3.15Å; C49-Y53 PolarHBondContact O-N 3.48Å; A50-Y53 PolarHBondContact O-N 3.31Å; Y53-Y56 PolarHBondContact O-N 3.42Å; Y53-S57 PolarHBondContact O-N 3.38Å
54G97.1Very high95.4Very high10 Ų1069.2 Ų69.210%0.10336%0.36CS..Hα-helixtrans-60.4-47.9176.300000112.3A50 A51 S57 I58A50-G54 PolarHBondContact O-N 2.97Å; A51-G54 PolarHBondContact O-N 2.87Å; G54-S57 PolarHBondContact O-N 2.91Å; G54-I58 WeakPolarHBondContact O-CD1 3.41Å; G54-I58 WeakPolarHBondContact O-CG1 3.38Å; G54-I58 PolarHBondContact O-N 2.89Å
55C96.5Very high95Very high33 Ų3369.6 Ų69.622%0.22336%0.364CS..Hα-helixtrans-61.1-44.1174.7-73.70000112A51 S57 I58 V59 I421A51-C55 WeakPolarHBondContact O-CB 3.41Å; A51-C55 PolarHBondContact O-N 2.85Å; A51-C55 PolarHBondContact O-SG 2.89Å; A51-C55 VanDerWaalsContact O-SG 3.34Å; C55-S57 VanDerWaalsContact C-N 3.35Å; C55-S57 PolarHBondContact O-N 3.48Å; C55-I58 PolarHBondContact O-N 2.86Å; C55-V59 WeakPolarHBondContact O-CB 3.18Å; C55-V59 VanDerWaalsContact O-CG2 3.29Å; C55-V59 WeakPolarHBondContact O-CG2 3.29Å; C55-V59 PolarHBondContact O-N 3.5Å; C55-I421 HydrophobicContact CB-CD1 4.03Å
56Y97.2Very high94.7Very high142 Ų14267.7 Ų67.756%0.55736%0.358SS*.Hα-helixtrans-57.4-47.4175.2170.4-98.3000111.5G52 Y53 I58 V59 E60G52-Y56 WeakPolarHBondContact O-CB 3.43Å; G52-Y56 PolarHBondContact O-N 3.09Å; Y53-Y56 PolarHBondContact O-N 3.42Å; Y56-I58 VanDerWaalsContact C-N 3.33Å; Y56-I58 PolarHBondContact O-N 2.92Å; Y56-V59 PolarHBondContact O-N 3.47Å; Y56-E60 WeakPolarHBondContact O-CB 3.4Å; Y56-E60 PolarHBondContact O-N 3.24Å
57S96.7Very high94.4Very high33 Ų3364.5 Ų64.523%0.23134%0.34CS..Hα-helixtrans-61.5-39.4178.1-177.40000112.3Y53 G54 C55 Q61Y53-S57 PolarHBondContact O-N 3.38Å; G54-S57 PolarHBondContact O-N 2.91Å; C55-S57 VanDerWaalsContact C-N 3.35Å; C55-S57 PolarHBondContact O-N 3.48Å; S57-Q61 WeakPolarHBondContact O-CB 3.49Å; S57-Q61 VanDerWaalsContact O-CG 3.27Å; S57-Q61 WeakPolarHBondContact O-CG 3.48Å; S57-Q61 PolarHBondContact O-N 2.84Å
58I96.3Very high94.3Very high13 Ų1367.2 Ų67.27%0.06736%0.356CS..Hα-helixtrans-68.6-43.5177.7-68.4157.9000110.8G54 C55 Y56 E60 Q61 Y62 M412 F417 N420 I421 Q424G54-I58 WeakPolarHBondContact O-CD1 3.41Å; G54-I58 WeakPolarHBondContact O-CG1 3.38Å; G54-I58 PolarHBondContact O-N 2.89Å; C55-I58 PolarHBondContact O-N 2.86Å; Y56-I58 VanDerWaalsContact C-N 3.33Å; Y56-I58 PolarHBondContact O-N 2.92Å; I58-E60 VanDerWaalsContact C-N 3.35Å; I58-Q61 PolarHBondContact O-N 3Å; I58-Y62 WeakPolarHBondContact O-CB 3.47Å; I58-Y62 PolarHBondContact O-N 2.65Å; I58-M412 HydrophobicContact CG2-CE 4.35Å; I58-M412 HydrophobicContact CG2-SD 4.22Å; I58-F417 HydrophobicContact CG2-CD2 3.83Å; I58-F417 HydrophobicContact CG2-CE2 4.02Å; I58-N420 HydrophobicContact CD1-CB 3.81Å; I58-N420 WeakPolarHBondContact CD1-O 3.43Å; I58-N420 HydrophobicContact CG1-CB 4.21Å; I58-N420 HydrophobicContact CG2-CB 3.97Å; I58-I421 HydrophobicContact CB-CD1 3.93Å; I58-I421 HydrophobicContact CD1-CD1 4.33Å; I58-I421 HydrophobicContact CG2-CD1 3.75Å; I58-I421 HydrophobicContact CG2-CG1 4.03Å; I58-Q424 HydrophobicContact CD1-CG 3.44Å; I58-Q424 VanDerWaalsContact CD1-CG 3.44Å
59V96.3Very high94.3Very high56 Ų5665.6 Ų65.634%0.33935%0.35SS..Hα-helixtrans-61.6-44.5176.3170.50000110.5C55 Y56 Y62 I63 F417 I421C55-V59 WeakPolarHBondContact O-CB 3.18Å; C55-V59 VanDerWaalsContact O-CG2 3.29Å; C55-V59 WeakPolarHBondContact O-CG2 3.29Å; C55-V59 PolarHBondContact O-N 3.5Å; Y56-V59 PolarHBondContact O-N 3.47Å; V59-Y62 PolarHBondContact O-N 3.06Å; V59-I63 HydrophobicContact CG1-CD1 3.61Å; V59-I63 HydrophobicContact CG1-CG1 4.33Å; V59-I63 WeakPolarHBondContact O-CB 3.27Å; V59-I63 VanDerWaalsContact O-CG1 3.26Å; V59-I63 WeakPolarHBondContact O-CG1 3.28Å; V59-I63 PolarHBondContact O-N 3.4Å; V59-F417 HydrophobicContact CG2-CE2 4.04Å; V59-F417 HydrophobicContact CG2-CZ 4.21Å; V59-I421 HydrophobicContact CG2-CD1 4.15Å
60E95.4Very high94.2Very high68 Ų6862.6 Ų62.632%0.31833%0.332SS..Hα-helixtrans-61-45.8176.5-169.6-169.8-171.600111.6Y56 I58 Y62 I63 K64Y56-E60 WeakPolarHBondContact O-CB 3.4Å; Y56-E60 PolarHBondContact O-N 3.24Å; I58-E60 VanDerWaalsContact C-N 3.35Å; E60-Y62 VanDerWaalsContact C-N 3.34Å; E60-Y62 PolarHBondContact O-N 3.29Å; E60-I63 PolarHBondContact O-N 3.46Å; E60-K64 VanDerWaalsContact CD-NZ 3.31Å; E60-K64 HydrophobicContact CG-CD 4.35Å; E60-K64 WeakPolarHBondContact O-CG 3.25Å; E60-K64 PolarHBondContact O-N 3.21Å; E60-K64 VanDerWaalsContact OE1-CE 3.27Å; E60-K64 WeakPolarHBondContact OE1-CE 3.49Å; E60-K64 IonicContact OE1-NZ 2.66Å; E60-K64 PolarHBondContact OE1-NZ 3.46Å; E60-K64 IonicContact OE2-NZ 3.96Å
61Q92.8Very high94.1Very high98 Ų9869.3 Ų69.346%0.45835%0.354SS..Hα-helixtrans-61.5-41.5175.9-76.2176.610.200112.1S57 I58 K64 P66 M412S57-Q61 WeakPolarHBondContact O-CB 3.49Å; S57-Q61 VanDerWaalsContact O-CG 3.27Å; S57-Q61 WeakPolarHBondContact O-CG 3.48Å; S57-Q61 PolarHBondContact O-N 2.84Å; I58-Q61 PolarHBondContact O-N 3Å; Q61-K64 PolarHBondContact O-N 3.3Å; Q61-P66 WeakPolarHBondContact O-CD 3.34Å; Q61-M412 HydrophobicContact CB-CE 4.31Å
62Y93.3Very high94.1Very high67 Ų6773.2 Ų73.226%0.26337%0.37SS..Hα-helixtrans-65.8-43.3178.7-174.8-103.3000111.9I58 V59 E60 K64 T65 M412 F417I58-Y62 WeakPolarHBondContact O-CB 3.47Å; I58-Y62 PolarHBondContact O-N 2.65Å; V59-Y62 PolarHBondContact O-N 3.06Å; E60-Y62 VanDerWaalsContact C-N 3.34Å; E60-Y62 PolarHBondContact O-N 3.29Å; Y62-K64 VanDerWaalsContact C-N 3.34Å; Y62-K64 PolarHBondContact O-N 2.89Å; Y62-T65 PolarHBondContact O-N 3.1Å; Y62-T65 VanDerWaalsContact O-N 3.17Å; Y62-M412 HydrophobicContact CD2-CG 4.4Å; Y62-M412 HydrophobicContact CD2-SD 4.05Å; Y62-F417 HydrophobicContact CD1-CD2 4.1Å; Y62-F417 HydrophobicContact CD1-CE2 4.23Å; Y62-F417 HydrophobicContact CD1-CG 4.31Å; Y62-F417 HydrophobicContact CD2-CB 3.63Å; Y62-F417 AromaticContact CD2-CD2 3.8Å; Y62-F417 HydrophobicContact CD2-CD2 3.8Å; Y62-F417 AromaticContact CD2-CG 3.77Å; Y62-F417 HydrophobicContact CD2-CG 3.77Å; Y62-F417 HydrophobicContact CE2-CB 3.72Å; Y62-F417 HydrophobicContact CE2-CD2 4.48Å; Y62-F417 HydrophobicContact CE2-CG 4.02Å; Y62-F417 HydrophobicContact CG-CB 4.29Å; Y62-F417 AromaticContact CG-CD2 3.57Å; Y62-F417 HydrophobicContact CG-CD2 3.57Å; Y62-F417 HydrophobicContact CG-CE2 4.05Å; Y62-F417 AromaticContact CG-CG 3.92Å; Y62-F417 HydrophobicContact CG-CG 3.92Å
63I91.7Very high93.9Very high121 Ų12175.6 Ų75.662%0.62138%0.375SS*.Hα-helixtrans-65.7-35.8178.5-69.5169.3000111.8V59 E60 T65V59-I63 HydrophobicContact CG1-CD1 3.61Å; V59-I63 HydrophobicContact CG1-CG1 4.33Å; V59-I63 WeakPolarHBondContact O-CB 3.27Å; V59-I63 VanDerWaalsContact O-CG1 3.26Å; V59-I63 WeakPolarHBondContact O-CG1 3.28Å; V59-I63 PolarHBondContact O-N 3.4Å; E60-I63 PolarHBondContact O-N 3.46Å; I63-T65 PolarHBondContact O-N 2.99Å
64K88.9Confident93.6Very high122 Ų12271.1 Ų71.153%0.5336%0.36SS..THydrogen-bonded Turntrans-68.5-8.8176.6-75.3177.4-176.3168.90114E60 Q61 Y62 P66E60-K64 VanDerWaalsContact CD-NZ 3.31Å; E60-K64 HydrophobicContact CG-CD 4.35Å; E60-K64 WeakPolarHBondContact O-CG 3.25Å; E60-K64 PolarHBondContact O-N 3.21Å; E60-K64 VanDerWaalsContact OE1-CE 3.27Å; E60-K64 WeakPolarHBondContact OE1-CE 3.49Å; E60-K64 IonicContact OE1-NZ 2.66Å; E60-K64 PolarHBondContact OE1-NZ 3.46Å; E60-K64 IonicContact OE2-NZ 3.96Å; Q61-K64 PolarHBondContact O-N 3.3Å; Y62-K64 VanDerWaalsContact C-N 3.34Å; Y62-K64 PolarHBondContact O-N 2.89Å; K64-P66 VanDerWaalsContact C-CD 3.47Å
65T87.4Confident93Very high49 Ų4975.8 Ų75.830%0.30138%0.383SS..  trans42.451.2179.560.90000114.7Y62 I63 I67 N273Y62-T65 PolarHBondContact O-N 3.1Å; Y62-T65 VanDerWaalsContact O-N 3.17Å; I63-T65 PolarHBondContact O-N 2.99Å; T65-I67 PolarHBondContact O-N 2.9Å; T65-N273 PolarHBondContact OG1-ND2 3.28Å; T65-N273 PolarHBondContact OG1-OD1 3.01Å
66P88.6Confident92.2Very high60 Ų6079.3 Ų79.339%0.3941%0.408SS..  trans-56.9134.8179.224.4-33000110.5Q61 K64 A411Q61-P66 WeakPolarHBondContact O-CD 3.34Å; K64-P66 VanDerWaalsContact C-CD 3.47Å; P66-A411 HydrophobicContact CB-CB 4.14Å; P66-A411 HydrophobicContact CG-CB 3.91Å; P66-A411 WeakPolarHBondContact O-CB 3.47Å; P66-A411 PolarHBondContact O-N 3.3Å
67I90.7Very high91.6Very high53 Ų5374.3 Ų74.327%0.27239%0.392SS..EExtended strand (participates in β ladder)trans-100.2136.7179.4-65177.7000109T65 N273 H408 F409T65-I67 PolarHBondContact O-N 2.9Å; I67-N273 HydrophobicContact CD1-CB 3.7Å; I67-N273 WeakPolarHBondContact CD1-ND2 3.34Å; I67-H408 HydrophobicContact CG2-CB 3.66Å; I67-F409 CarbonylContact C-O 3.59Å; I67-F409 VanDerWaalsContact CA-O 3.29Å; I67-F409 WeakPolarHBondContact CA-O 3.48Å
68V92.9Very high91.2Very high71 Ų7179.3 Ų79.343%0.4342%0.416SS..EExtended strand (participates in β ladder)trans-108.2144.3165.9-64.60000109.5F409 A411V68-F409 HydrophobicContact CG2-CB 3.87Å; V68-F409 PolarHBondContact N-O 2.89Å; V68-F409 PolarHBondContact O-N 3.39Å; V68-A411 HydrophobicContact CG1-CB 3.71Å
69V94.5Very high91Very high66 Ų6684.7 Ų84.740%0.444%0.439SS..EExtended strand (participates in β ladder)trans-99.7118.3177-174.40000108.2Y71 I406V69-Y71 HydrophobicContact CB-CE2 4.27Å; V69-Y71 HydrophobicContact CG1-CD2 4.37Å; V69-Y71 HydrophobicContact CG1-CE2 3.77Å; V69-I406 HydrophobicContact CG1-CG2 3.55Å
70G95.1Very high90.8Very high14 Ų1483.1 Ų83.114%0.14443%0.432CS..EExtended strand (participates in β ladder)trans-92.6140.3170.800000111I406 K407G70-I406 WeakPolarHBondContact O-CA 3.44Å; G70-K407 PolarHBondContact N-O 2.96Å; G70-K407 PolarHBondContact O-N 3.4Å
71Y95.1Very high90.8Very high164 Ų16485.3 Ų85.364%0.64344%0.437SS*.EExtended strand (participates in β ladder)trans-115.5115.5173.2-66-94.6000107.7V69 I406V69-Y71 HydrophobicContact CB-CE2 4.27Å; V69-Y71 HydrophobicContact CG1-CD2 4.37Å; V69-Y71 HydrophobicContact CG1-CE2 3.77Å; Y71-I406 HydrophobicContact CD1-CD1 4.01Å; Y71-I406 HydrophobicContact CD1-CG1 3.74Å; Y71-I406 HydrophobicContact CE1-CD1 3.66Å; Y71-I406 HydrophobicContact CE1-CG1 3.82Å; Y71-I406 HydrophobicContact CE1-CG2 4.23Å
72F95Very high90.8Very high87 Ų8780.7 Ų80.738%0.38242%0.416SS..EExtended strand (participates in β ladder)trans-120.8137.5177.5-49-89.6000109.2T404 L405 K407 F409F72-T404 CarbonylContact O-C 3.55Å; F72-T404 WeakPolarHBondContact O-CA 3.48Å; F72-L405 HydrophobicContact CB-CB 4.27Å; F72-L405 HydrophobicContact CD2-CB 4.48Å; F72-L405 HydrophobicContact CD2-CD2 4.22Å; F72-L405 HydrophobicContact CD2-CG 4.34Å; F72-L405 PolarHBondContact N-O 2.78Å; F72-L405 PolarHBondContact O-N 3.34Å; F72-K407 HydrophobicContact CE2-CB 4.35Å; F72-F409 AromaticContact CE2-CE2 3.53Å; F72-F409 HydrophobicContact CE2-CE2 3.53Å; F72-F409 AromaticContact CE2-CZ 3.55Å; F72-F409 HydrophobicContact CE2-CZ 3.55Å; F72-F409 AromaticContact CZ-CE2 3.7Å; F72-F409 HydrophobicContact CZ-CE2 3.7Å; F72-F409 AromaticContact CZ-CZ 3.61Å; F72-F409 HydrophobicContact CZ-CZ 3.61Å
73V93.9Very high90.9Very high91 Ų9177.5 Ų77.555%0.55240%0.404SS*.EExtended strand (participates in β ladder)trans-102.3115.8169.1-177.70000106.3D75V73-D75 WeakPolarHBondContact CG1-OD1 3.29Å
74H90.9Very high91Very high75 Ų7572.2 Ų72.235%0.34738%0.376SS..EExtended strand (participates in β ladder)trans-92.6102.8172.3-75.8-83.3000107.9S402 Y403H74-S402 WeakPolarHBondContact O-CA 3.45Å; H74-S402 WeakPolarHBondContact O-CB 3.49Å; H74-Y403 HydrophobicContact CB-CD1 4.02Å; H74-Y403 HydrophobicContact CB-CE1 3.58Å; H74-Y403 HydrophobicContact CB-CE2 4.2Å; H74-Y403 HydrophobicContact CB-CG 4.48Å; H74-Y403 AromaticContact CD2-CE2 3.68Å; H74-Y403 AromaticContact CD2-CZ 3.66Å; H74-Y403 AromaticContact CG-CZ 3.7Å; H74-Y403 PolarHBondContact N-O 2.9Å; H74-Y403 PolarHBondContact O-N 3.38Å; H74-Y403 VanDerWaalsContact O-N 3.11Å
75D84.3Confident91.2Very high109 Ų10966.4 Ų66.458%0.58335%0.351SS*.  trans-85.2157.6173.4-66.4-36.8000111.3V73 S402V73-D75 WeakPolarHBondContact CG1-OD1 3.29Å; D75-S402 WeakPolarHBondContact OD1-CB 3.5Å
76S78.7Confident91.6Very high107 Ų10764.1 Ų64.175%0.74834%0.337SS*.  trans59.150.5172.1-54.80000114.4D78 M401S76-D78 PolarHBondContact O-N 2.82Å; S76-M401 PolarHBondContact N-O 3.16Å
77V85.8Confident91.8Very high37 Ų3761.2 Ų61.222%0.22432%0.318CS..  trans-73.4120.9171-176.30000109.4K79 M401 Y403V77-K79 VanDerWaalsContact C-N 3.25Å; V77-K79 VanDerWaalsContact CG1-O 3.26Å; V77-K79 WeakPolarHBondContact CG1-O 3.33Å; V77-K79 PolarHBondContact O-N 3.17Å; V77-M401 PolarHBondContact N-O 2.83Å; V77-M401 VanDerWaalsContact O-CE 3.25Å; V77-M401 WeakPolarHBondContact O-CE 3.37Å; V77-Y403 HydrophobicContact CG2-CD1 3.68Å; V77-Y403 HydrophobicContact CG2-CE1 3.62Å
78D88.6Confident91.9Very high137 Ų13758.8 Ų58.873%0.73331%0.306SS*.SBendtrans-58.1-38-177.8-63.5-35.8000112.9S76 E204S76-D78 PolarHBondContact O-N 2.82Å; D78-E204 WeakPolarHBondContact O-CA 3.42Å
79K91.9Very high91.8Very high127 Ų12755.5 Ų55.555%0.55229%0.286SS*.  trans-144.9130.3-176.7-52.7-167.2-173.6-147.20111V77 V202 E204V77-K79 VanDerWaalsContact C-N 3.25Å; V77-K79 VanDerWaalsContact CG1-O 3.26Å; V77-K79 WeakPolarHBondContact CG1-O 3.33Å; V77-K79 PolarHBondContact O-N 3.17Å; K79-V202 HydrophobicContact CB-CG1 3.85Å; K79-V202 HydrophobicContact CD-CG1 4.32Å; K79-V202 HydrophobicContact CG-CG1 4.47Å; K79-E204 HydrophobicContact CD-CG 4.39Å; K79-E204 WeakPolarHBondContact CD-OE1 3.29Å; K79-E204 WeakPolarHBondContact CE-OE1 3.47Å; K79-E204 HydrophobicContact CG-CG 4.12Å; K79-E204 IonicContact NZ-OE1 3.84Å; K79-E204 PolarHBondContact NZ-OE1 3.17Å
80A92.4Very high91.5Very high22 Ų2253.4 Ų53.418%0.18227%0.273CS..EExtended strand (participates in β ladder)trans-129.6132.8175.900000109.9Q203 F398 M401A80-Q203 PolarHBondContact N-O 2.95Å; A80-Q203 PolarHBondContact O-N 2.87Å; A80-F398 HydrophobicContact CB-CD2 3.82Å; A80-F398 HydrophobicContact CB-CE2 3.6Å; A80-F398 HydrophobicContact CB-CZ 4.38Å; A80-M401 HydrophobicContact CB-CE 3.67Å; A80-M401 HydrophobicContact CB-SD 4.43Å
81R93.5Very high91.1Very high114 Ų11453 Ų5343%0.4327%0.267SS..EExtended strand (participates in β ladder)trans-86.9125.7175.2-177.8177.1-68.3-84.73.6109.7G200 V202 F398R81-G200 PolarHBondContact NH1-O 3.1Å; R81-V202 HydrophobicContact CB-CG2 4.43Å; R81-F398 WeakPolarHBondContact O-CZ 3.31Å
82L94.7Very high90.7Very high1 Ų146 Ų461%0.00524%0.239CC..PPolyproline II helixtrans-65.1152.3170.6-71.2165.7000110.4G200 A201 I212 L263 L396 F398L82-G200 WeakPolarHBondContact O-CA 3.35Å; L82-A201 PolarHBondContact N-O 3.45Å; L82-I212 HydrophobicContact CB-CD1 4.27Å; L82-I212 HydrophobicContact CD1-CB 4.38Å; L82-I212 HydrophobicContact CD1-CD1 3.95Å; L82-I212 HydrophobicContact CD1-CG1 3.77Å; L82-L263 HydrophobicContact CD2-CD1 3.84Å; L82-L396 HydrophobicContact CD2-CG 4.41Å; L82-F398 HydrophobicContact CD2-CD2 3.66Å; L82-F398 HydrophobicContact CD2-CE2 3.59Å; L82-F398 HydrophobicContact CD2-CG 4.18Å; L82-F398 HydrophobicContact CD2-CZ 4.04Å; L82-F398 HydrophobicContact CG-CD2 4.24Å; L82-F398 HydrophobicContact CG-CE2 3.96Å
83P94.7Very high90.5Very high1 Ų141.9 Ų41.91%0.00622%0.221CC..PPolyproline II helixtrans-64.4159.4171.927.6-32.8000111.4G200 L239 A240 L263 Y361 L396P83-G200 WeakPolarHBondContact O-CA 3.3Å; P83-L239 HydrophobicContact CB-CB 4.2Å; P83-L239 HydrophobicContact CG-CB 4.14Å; P83-L239 HydrophobicContact CG-CD1 4.27Å; P83-L239 HydrophobicContact CG-CD2 4.13Å; P83-L239 HydrophobicContact CG-CG 4.41Å; P83-A240 WeakPolarHBondContact CB-O 3.4Å; P83-L263 VanDerWaalsContact CD-CD1 3.41Å; P83-L263 HydrophobicContact CG-CD1 3.65Å; P83-Y361 HydrophobicContact CB-CD1 4.39Å; P83-Y361 HydrophobicContact CB-CD2 3.66Å; P83-Y361 HydrophobicContact CB-CE1 4.41Å; P83-Y361 HydrophobicContact CB-CE2 3.68Å; P83-Y361 HydrophobicContact CB-CG 4.01Å; P83-Y361 HydrophobicContact CG-CD1 4Å; P83-Y361 HydrophobicContact CG-CD2 4.01Å; P83-Y361 HydrophobicContact CG-CE1 4.31Å; P83-Y361 HydrophobicContact CG-CE2 4.32Å; P83-Y361 HydrophobicContact CG-CG 3.81Å; P83-L396 HydrophobicContact CG-CD2 4.23Å
84D93.6Very high90.5Very high9 Ų938 Ų385%0.04820%0.198CC..EExtended strand (participates in β ladder)trans-68.1143.9165.9-59.6-16.7000109.4R197 V198 P199 G200 L239 A240D84-R197 HydrophobicContact CB-CG 3.92Å; D84-R197 IonicContact OD2-CZ 3.75Å; D84-R197 IonicContact OD2-NE 2.71Å; D84-R197 PolarHBondContact OD2-NE 3.34Å; D84-R197 IonicContact OD2-NH2 3.96Å; D84-R197 PolarHBondContact OD2-NH2 2.05Å; D84-V198 CarbonylContact C-O 3.58Å; D84-V198 VanDerWaalsContact CA-O 3.31Å; D84-V198 WeakPolarHBondContact CA-O 3.37Å; D84-P199 WeakPolarHBondContact OD1-CA 3.4Å; D84-G200 PolarHBondContact OD1-N 2.94Å; D84-L239 WeakPolarHBondContact O-CA 3.39Å; D84-A240 PolarHBondContact N-O 3.24Å; D84-A240 PolarHBondContact O-N 2.84Å
85V93.9Very high90.5Very high1 Ų136.5 Ų36.51%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-108.7112.4-177.1-167.40000109.3I87 V198 I214 L237 L239 L396V85-I87 HydrophobicContact CG1-CD1 4.17Å; V85-I87 HydrophobicContact CG1-CG1 3.97Å; V85-V198 HydrophobicContact CB-CB 4.46Å; V85-V198 PolarHBondContact N-O 3.34Å; V85-V198 PolarHBondContact O-N 3.29Å; V85-I214 HydrophobicContact CB-CD1 4.12Å; V85-I214 HydrophobicContact CG1-CD1 4.23Å; V85-I214 HydrophobicContact CG2-CD1 4.27Å; V85-L237 HydrophobicContact CG1-CD1 3.68Å; V85-L237 HydrophobicContact CG1-CD2 4.09Å; V85-L237 HydrophobicContact CG1-CG 3.77Å; V85-L239 HydrophobicContact CG1-CD2 4.46Å; V85-L239 HydrophobicContact CG2-CD2 4.33Å; V85-L396 HydrophobicContact CG2-CD2 3.47Å; V85-L396 VanDerWaalsContact CG2-CD2 3.47Å
86V94Very high91Very high0 Ų036.3 Ų36.30%018%0.182CC..EExtended strand (participates in β ladder)trans-94.6111.9177.1-177.10000109V188 C195 F196 R197 L237 K238 V246V86-V188 HydrophobicContact CG1-CG2 4.08Å; V86-C195 HydrophobicContact CG1-CB 3.79Å; V86-F196 CarbonylContact C-O 3.03Å; V86-F196 WeakPolarHBondContact CA-O 3.15Å; V86-R197 HydrophobicContact CG2-CB 4.11Å; V86-R197 HydrophobicContact CG2-CG 3.96Å; V86-L237 CarbonylContact O-C 3.52Å; V86-L237 WeakPolarHBondContact O-CA 3.16Å; V86-K238 HydrophobicContact CB-CB 4.2Å; V86-K238 PolarHBondContact N-O 2.58Å; V86-K238 PolarHBondContact O-N 2.84Å; V86-V246 HydrophobicContact CG2-CG2 3.93Å
87I94.6Very high91.8Very high0 Ų032.8 Ų32.80%015%0.153CC..EExtended strand (participates in β ladder)trans-107.4128.2-176.8-67.3163.6000109.6V85 F169 C195 F196 V198 I214 L216 I235 L237V85-I87 HydrophobicContact CG1-CD1 4.17Å; V85-I87 HydrophobicContact CG1-CG1 3.97Å; I87-F169 HydrophobicContact CB-CZ 4.09Å; I87-F169 HydrophobicContact CD1-CE1 3.71Å; I87-F169 HydrophobicContact CD1-CZ 3.81Å; I87-F169 HydrophobicContact CG2-CZ 4.3Å; I87-C195 CarbonylContact O-C 3.52Å; I87-C195 VanDerWaalsContact O-CA 3.25Å; I87-C195 WeakPolarHBondContact O-CA 3.25Å; I87-C195 WeakPolarHBondContact O-CB 3.41Å; I87-F196 PolarHBondContact N-O 2.93Å; I87-F196 PolarHBondContact O-N 3.49Å; I87-V198 HydrophobicContact CD1-CG2 4.42Å; I87-I214 HydrophobicContact CD1-CD1 3.85Å; I87-I214 HydrophobicContact CD1-CG2 3.94Å; I87-L216 HydrophobicContact CD1-CD1 4.21Å; I87-L216 HydrophobicContact CD1-CD2 4.3Å; I87-L216 HydrophobicContact CG2-CD1 3.82Å; I87-I235 HydrophobicContact CG2-CB 4.36Å; I87-I235 HydrophobicContact CG2-CD1 3.93Å; I87-I235 HydrophobicContact CG2-CG2 4.24Å; I87-L237 HydrophobicContact CG1-CD1 4.47Å
88C91.7Very high92.2Very high1 Ų131.3 Ų31.31%0.00714%0.144CC..EExtended strand (participates in β ladder)trans-123.2108.5-176.7-61.10000110.3L90 T192 C195 I235 G236C88-L90 PolarHBondContact O-N 2.81Å; C88-T192 WeakPolarHBondContact CB-OG1 3.49Å; C88-C195 HydrophobicContact CB-CB 3.99Å; C88-C195 WeakPolarHBondContact CB-SG 3.48Å; C88-C195 WeakPolarHBondContact SG-CB 3.46Å; C88-C195 CovalentContact SG-SG 2.02Å; C88-C195 PolarHBondContact SG-SG 2.92Å; C88-I235 CarbonylContact O-C 3.57Å; C88-I235 VanDerWaalsContact O-CA 3.28Å; C88-I235 WeakPolarHBondContact O-CA 3.45Å; C88-G236 PolarHBondContact N-O 3.36Å; C88-G236 PolarHBondContact O-N 2.84Å
89P90.7Very high92.5Very high3 Ų330.9 Ų30.92%0.01914%0.136CC..EExtended strand (participates in β ladder)trans-57.6135.1166.2-17.730000109.7N91 L163 I168P89-N91 PolarHBondContact O-N 3.3Å; P89-L163 HydrophobicContact CB-CD1 4.34Å; P89-I168 HydrophobicContact CB-CD1 4.4Å; P89-I168 HydrophobicContact CG-CD1 3.31Å; P89-I168 HydrophobicContact CG-CG1 4.11Å
90L87.8Confident92.6Very high22 Ų2228.7 Ų28.712%0.11514%0.137CC..SBendtrans-71-24.1178.9-63.6179000112.4C88 T192 N229 S232 G234 F252C88-L90 PolarHBondContact O-N 2.81Å; L90-T192 HydrophobicContact CD2-CG2 3.88Å; L90-N229 PolarHBondContact O-OD1 2.88Å; L90-S232 VanDerWaalsContact CD1-CB 3.47Å; L90-G234 WeakPolarHBondContact CG-O 3.48Å; L90-G234 PolarHBondContact N-O 3.42Å; L90-F252 HydrophobicContact CD1-CD1 4.28Å; L90-F252 HydrophobicContact CD2-CD1 4.02Å; L90-F252 HydrophobicContact CD2-CE1 3.76Å
91N87.5Confident92.8Very high4 Ų430 Ų302%0.02114%0.139CC..  trans-84.9127.6170.1173.979000111.7P89 F93 Y223 S224 N229P89-N91 PolarHBondContact O-N 3.3Å; N91-F93 PolarHBondContact ND2-N 3.37Å; N91-F93 PolarHBondContact ND2-O 3.48Å; N91-Y223 HydrophobicContact CB-CD1 3.63Å; N91-Y223 HydrophobicContact CB-CD2 3.43Å; N91-Y223 VanDerWaalsContact CB-CD2 3.43Å; N91-Y223 HydrophobicContact CB-CE1 3.73Å; N91-Y223 HydrophobicContact CB-CE2 3.54Å; N91-Y223 HydrophobicContact CB-CG 3.45Å; N91-Y223 VanDerWaalsContact CB-CG 3.45Å; N91-Y223 VanDerWaalsContact CG-CD1 3.49Å; N91-Y223 VanDerWaalsContact ND2-CD1 3.26Å; N91-Y223 WeakPolarHBondContact ND2-CD1 3.32Å; N91-S224 PolarHBondContact OD1-N 2.78Å; N91-S224 PolarHBondContact OD1-O 2.9Å; N91-S224 VanDerWaalsContact OD1-O 3.12Å; N91-N229 WeakPolarHBondContact CA-OD1 3.21Å; N91-N229 PolarHBondContact OD1-ND2 2.78Å
92R87.2Confident92.8Very high18 Ų1831 Ų317%0.06815%0.153CC..  trans-82.5-37.9-173.2-68170.1-175.9166.1-4.6114.5Q112 F115 S162 S191 T192 N228R92-Q112 PolarHBondContact NH1-O 2.92Å; R92-F115 VanDerWaalsContact NH2-CB 3.3Å; R92-S162 WeakPolarHBondContact O-CA 3.46Å; R92-S191 PolarHBondContact NH2-O 3.38Å; R92-T192 WeakPolarHBondContact CG-O 3.16Å; R92-N228 PolarHBondContact NE-ND2 2.8Å; R92-N228 PolarHBondContact NH1-ND2 3.28Å
93F90.7Very high92.8Very high0 Ų031.8 Ų31.80%016%0.157CC..BIsolated β-bridgetrans-119.5143.6-166.4-62.4-34.4000114.5N91 L98 I111 Q112 F115 V158 A161N91-F93 PolarHBondContact ND2-N 3.37Å; N91-F93 PolarHBondContact ND2-O 3.48Å; F93-L98 HydrophobicContact CB-CD1 3.88Å; F93-L98 HydrophobicContact CB-CG 4.39Å; F93-L98 HydrophobicContact CD2-CD1 4.46Å; F93-I111 HydrophobicContact CE2-CB 4.16Å; F93-I111 HydrophobicContact CE2-CG2 3.84Å; F93-I111 HydrophobicContact CZ-CB 4.39Å; F93-I111 HydrophobicContact CZ-CG2 3.57Å; F93-Q112 HydrophobicContact CD2-CG 3.88Å; F93-Q112 HydrophobicContact CE2-CG 3.44Å; F93-Q112 VanDerWaalsContact CE2-CG 3.44Å; F93-Q112 HydrophobicContact CZ-CG 4.11Å; F93-F115 HydrophobicContact CZ-CE2 4.41Å; F93-V158 HydrophobicContact CE1-CG1 4.16Å; F93-V158 HydrophobicContact CZ-CG2 4.36Å; F93-A161 CarbonylContact C-O 3.56Å; F93-A161 VanDerWaalsContact CA-O 3.25Å; F93-A161 WeakPolarHBondContact CA-O 3.27Å; F93-A161 HydrophobicContact CD1-CB 3.83Å; F93-A161 HydrophobicContact CE1-CB 4.2Å; F93-A161 HydrophobicContact CG-CB 4.36Å
94D93Very high92.7Very high11 Ų1134.1 Ų34.16%0.05917%0.174CC..BIsolated β-bridgetrans-81.6112.4171.7-174.8-7.1000110.7R96 F97 L98 A161 L163D94-R96 PolarHBondContact O-N 3.18Å; D94-R96 VanDerWaalsContact OD1-CB 3.29Å; D94-R96 WeakPolarHBondContact OD1-CB 3.43Å; D94-R96 IonicContact OD1-CZ 3.16Å; D94-R96 PolarHBondContact OD1-N 3.46Å; D94-R96 IonicContact OD1-NE 3.3Å; D94-R96 PolarHBondContact OD1-NE 3.44Å; D94-R96 VanDerWaalsContact OD1-NE 3.17Å; D94-R96 IonicContact OD1-NH2 3.57Å; D94-R96 IonicContact OD2-CZ 3.46Å; D94-R96 VanDerWaalsContact OD2-CZ 3.31Å; D94-R96 IonicContact OD2-NE 3.72Å; D94-R96 PolarHBondContact OD2-NE 2.9Å; D94-R96 IonicContact OD2-NH2 2.69Å; D94-R96 PolarHBondContact OD2-NH2 3.07Å; D94-F97 HydrophobicContact CB-CB 4.31Å; D94-F97 PolarHBondContact O-N 2.94Å; D94-F97 VanDerWaalsContact O-N 3.1Å; D94-L98 WeakPolarHBondContact O-CG 3.4Å; D94-L98 PolarHBondContact O-N 3.44Å; D94-L98 VanDerWaalsContact O-N 3.12Å; D94-A161 PolarHBondContact N-O 3.39Å; D94-L163 HydrophobicContact CB-CD2 3.89Å
95Q91.9Very high92.6Very high43 Ų4338.1 Ų38.120%0.20120%0.195CC..Hα-helixtrans-61.3-26.3178.7-159-17340.300112.7L98 K99 H221 L222Q95-L98 PolarHBondContact O-N 3.42Å; Q95-K99 VanDerWaalsContact CD-CE 3.4Å; Q95-K99 HydrophobicContact CG-CD 3.98Å; Q95-K99 HydrophobicContact CG-CG 4.22Å; Q95-K99 VanDerWaalsContact O-CB 3.27Å; Q95-K99 WeakPolarHBondContact O-CB 3.27Å; Q95-K99 VanDerWaalsContact O-CG 3.28Å; Q95-K99 WeakPolarHBondContact O-CG 3.47Å; Q95-K99 PolarHBondContact O-N 2.96Å; Q95-H221 PolarHBondContact OE1-O 3.3Å; Q95-L222 VanDerWaalsContact CB-O 3.24Å; Q95-L222 WeakPolarHBondContact CB-O 3.18Å; Q95-L222 PolarHBondContact N-O 3.45Å
96R93.8Very high92.4Very high104 Ų10438.9 Ų38.939%0.39220%0.203SC..Hα-helixtrans-61.7-48.2173.5-70.5168-54.2-175.78.3110.6D94 K99 S100 D167 L222D94-R96 PolarHBondContact O-N 3.18Å; D94-R96 VanDerWaalsContact OD1-CB 3.29Å; D94-R96 WeakPolarHBondContact OD1-CB 3.43Å; D94-R96 IonicContact OD1-CZ 3.16Å; D94-R96 PolarHBondContact OD1-N 3.46Å; D94-R96 IonicContact OD1-NE 3.3Å; D94-R96 PolarHBondContact OD1-NE 3.44Å; D94-R96 VanDerWaalsContact OD1-NE 3.17Å; D94-R96 IonicContact OD1-NH2 3.57Å; D94-R96 IonicContact OD2-CZ 3.46Å; D94-R96 VanDerWaalsContact OD2-CZ 3.31Å; D94-R96 IonicContact OD2-NE 3.72Å; D94-R96 PolarHBondContact OD2-NE 2.9Å; D94-R96 IonicContact OD2-NH2 2.69Å; D94-R96 PolarHBondContact OD2-NH2 3.07Å; R96-K99 PolarHBondContact O-N 3.26Å; R96-S100 WeakPolarHBondContact O-CB 3.36Å; R96-S100 PolarHBondContact O-N 2.96Å; R96-S100 PolarHBondContact O-OG 3.26Å; R96-D167 IonicContact CZ-OD1 2.78Å; R96-D167 IonicContact NH1-OD1 3.71Å; R96-D167 PolarHBondContact NH1-OD1 3.38Å; R96-D167 IonicContact NH2-OD1 3.53Å; R96-D167 PolarHBondContact NH2-OD1 3.28Å; R96-D167 IonicContact NH2-OD2 3.89Å; R96-D167 PolarHBondContact NH2-OD2 2.99Å; R96-L222 VanDerWaalsContact CD-CD2 3.4Å; R96-L222 HydrophobicContact CG-CD2 3.51Å
97F95.2Very high92.4Very high33 Ų3339.1 Ų39.115%0.14521%0.205CC..Hα-helixtrans-64-44.1179.2-177.1-87.3000111.3D94 S100 H101 F157 A160 A161D94-F97 HydrophobicContact CB-CB 4.31Å; D94-F97 PolarHBondContact O-N 2.94Å; D94-F97 VanDerWaalsContact O-N 3.1Å; F97-S100 PolarHBondContact O-N 2.82Å; F97-S100 PolarHBondContact O-OG 3.47Å; F97-S100 VanDerWaalsContact O-OG 3.07Å; F97-H101 AromaticContact CD1-ND1 3.92Å; F97-H101 AromaticContact CD2-CE1 3.61Å; F97-H101 AromaticContact CD2-ND1 3.77Å; F97-H101 AromaticContact CE1-ND1 3.84Å; F97-H101 AromaticContact CE2-CE1 3.31Å; F97-H101 WeakPolarHBondContact CE2-CE1 3.34Å; F97-H101 AromaticContact CE2-ND1 3.68Å; F97-H101 AromaticContact CG-ND1 3.88Å; F97-H101 AromaticContact CZ-CE1 3.67Å; F97-H101 AromaticContact CZ-ND1 3.72Å; F97-H101 PolarHBondContact O-N 3Å; F97-H101 PolarHBondContact O-ND1 3.07Å; F97-F157 HydrophobicContact CE1-CD2 4.18Å; F97-F157 AromaticContact CE1-CE2 3.85Å; F97-F157 HydrophobicContact CE1-CE2 3.85Å; F97-F157 HydrophobicContact CE1-CZ 4.43Å; F97-A160 WeakPolarHBondContact CD2-O 3.45Å; F97-A160 HydrophobicContact CE1-CB 4.39Å; F97-A160 HydrophobicContact CE2-CB 3.72Å; F97-A160 HydrophobicContact CZ-CB 3.59Å; F97-A161 HydrophobicContact CD1-CB 3.63Å; F97-A161 HydrophobicContact CE1-CB 3.85Å; F97-A161 HydrophobicContact CG-CB 4.48Å
98L94.5Very high92.3Very high6 Ų639.1 Ų39.13%0.03121%0.205CC..Hα-helixtrans-61.8-46178-62.9-179.7000111.6F93 D94 Q95 H101 N102 V103 A108 F157 A161F93-L98 HydrophobicContact CB-CD1 3.88Å; F93-L98 HydrophobicContact CB-CG 4.39Å; F93-L98 HydrophobicContact CD2-CD1 4.46Å; D94-L98 WeakPolarHBondContact O-CG 3.4Å; D94-L98 PolarHBondContact O-N 3.44Å; D94-L98 VanDerWaalsContact O-N 3.12Å; Q95-L98 PolarHBondContact O-N 3.42Å; L98-H101 PolarHBondContact O-N 2.92Å; L98-N102 PolarHBondContact O-N 3.17Å; L98-V103 HydrophobicContact CB-CB 4.14Å; L98-V103 HydrophobicContact CD2-CB 4.01Å; L98-V103 HydrophobicContact CD2-CG1 4.01Å; L98-V103 HydrophobicContact CD2-CG2 4.16Å; L98-V103 WeakPolarHBondContact O-CB 3.37Å; L98-V103 PolarHBondContact O-N 3.13Å; L98-A108 HydrophobicContact CD1-CB 3.81Å; L98-F157 HydrophobicContact CD2-CZ 3.97Å; L98-A161 HydrophobicContact CD2-CB 4.31Å
99K94.8Very high92.2Very high128 Ų12839.8 Ų39.856%0.55721%0.208SC*.Hα-helixtrans-66.1-44.8178.5-76.1172.5172.3167.30112.2Q95 R96 H101 N102Q95-K99 VanDerWaalsContact CD-CE 3.4Å; Q95-K99 HydrophobicContact CG-CD 3.98Å; Q95-K99 HydrophobicContact CG-CG 4.22Å; Q95-K99 VanDerWaalsContact O-CB 3.27Å; Q95-K99 WeakPolarHBondContact O-CB 3.27Å; Q95-K99 VanDerWaalsContact O-CG 3.28Å; Q95-K99 WeakPolarHBondContact O-CG 3.47Å; Q95-K99 PolarHBondContact O-N 2.96Å; R96-K99 PolarHBondContact O-N 3.26Å; K99-H101 PolarHBondContact O-N 3.48Å; K99-N102 PolarHBondContact O-N 3.3Å; K99-N102 VanDerWaalsContact O-N 3.1Å
100S95.1Very high92.2Very high82 Ų8240 Ų4057%0.57321%0.208SC*.Hα-helixtrans-63.2-25-179.268.60000112.9R96 F97R96-S100 WeakPolarHBondContact O-CB 3.36Å; R96-S100 PolarHBondContact O-N 2.96Å; R96-S100 PolarHBondContact O-OG 3.26Å; F97-S100 PolarHBondContact O-N 2.82Å; F97-S100 PolarHBondContact O-OG 3.47Å; F97-S100 VanDerWaalsContact O-OG 3.07Å
101H95.3Very high92.5Very high49 Ų4938.9 Ų38.923%0.22720%0.203CC..THydrogen-bonded Turntrans-102.811.3177.9-63.295.1000113.9F97 L98 K99 V103 R149 L150F97-H101 AromaticContact CD1-ND1 3.92Å; F97-H101 AromaticContact CD2-CE1 3.61Å; F97-H101 AromaticContact CD2-ND1 3.77Å; F97-H101 AromaticContact CE1-ND1 3.84Å; F97-H101 AromaticContact CE2-CE1 3.31Å; F97-H101 WeakPolarHBondContact CE2-CE1 3.34Å; F97-H101 AromaticContact CE2-ND1 3.68Å; F97-H101 AromaticContact CG-ND1 3.88Å; F97-H101 AromaticContact CZ-CE1 3.67Å; F97-H101 AromaticContact CZ-ND1 3.72Å; F97-H101 PolarHBondContact O-N 3Å; F97-H101 PolarHBondContact O-ND1 3.07Å; L98-H101 PolarHBondContact O-N 2.92Å; K99-H101 PolarHBondContact O-N 3.48Å; H101-V103 VanDerWaalsContact C-N 3.3Å; H101-V103 HydrophobicContact CB-CG2 4.09Å; H101-V103 PolarHBondContact O-N 3.48Å; H101-R149 PolarHBondContact O-NH1 3.24Å; H101-R149 VanDerWaalsContact O-NH1 3.17Å; H101-R149 PolarHBondContact O-NH2 2.88Å; H101-L150 HydrophobicContact CB-CD1 4.32Å; H101-L150 HydrophobicContact CB-CD2 4.19Å; H101-L150 VanDerWaalsContact CD2-CD2 3.48Å; H101-L150 WeakPolarHBondContact CD2-CD2 3.37Å
102N95.1Very high92.6Very high136 Ų13638.8 Ų38.873%0.72720%0.202SC*.THydrogen-bonded Turntrans54.341.3-179.4-62.3-32.9000113.5L98 K99L98-N102 PolarHBondContact O-N 3.17Å; K99-N102 PolarHBondContact O-N 3.3Å; K99-N102 VanDerWaalsContact O-N 3.1Å
103V94.5Very high92.7Very high16 Ų1638.2 Ų38.210%0.09720%0.2CC..  trans-82.8123.2174.6-172.60000108.9L98 H101 V107 M146 F157L98-V103 HydrophobicContact CB-CB 4.14Å; L98-V103 HydrophobicContact CD2-CB 4.01Å; L98-V103 HydrophobicContact CD2-CG1 4.01Å; L98-V103 HydrophobicContact CD2-CG2 4.16Å; L98-V103 WeakPolarHBondContact O-CB 3.37Å; L98-V103 PolarHBondContact O-N 3.13Å; H101-V103 VanDerWaalsContact C-N 3.3Å; H101-V103 HydrophobicContact CB-CG2 4.09Å; H101-V103 PolarHBondContact O-N 3.48Å; V103-V107 HydrophobicContact CG1-CB 3.98Å; V103-V107 HydrophobicContact CG1-CG1 3.67Å; V103-M146 HydrophobicContact CB-SD 4.11Å; V103-M146 HydrophobicContact CG1-SD 3.66Å; V103-M146 HydrophobicContact CG2-CG 4.39Å; V103-M146 HydrophobicContact CG2-SD 3.49Å; V103-M146 WeakPolarHBondContact CG2-SD 3.38Å; V103-F157 HydrophobicContact CG1-CZ 4.44Å; V103-F157 HydrophobicContact CG2-CE2 4.12Å; V103-F157 HydrophobicContact CG2-CZ 4.12Å
104S92.9Very high92.7Very high50 Ų5038.2 Ų38.235%0.3520%0.2SC..  trans-71.115217875.50000111.1G106 V107 A108S104-G106 PolarHBondContact O-N 2.83Å; S104-V107 PolarHBondContact O-N 3.11Å; S104-V107 VanDerWaalsContact O-N 3.08Å; S104-V107 WeakPolarHBondContact OG-CG2 3.25Å; S104-V107 PolarHBondContact OG-N 2.66Å; S104-V107 VanDerWaalsContact OG-N 3.14Å; S104-A108 PolarHBondContact O-N 2.81Å
105D89.6Confident92.5Very high93 Ų9337.9 Ų37.950%0.49720%0.198SC..Hα-helixtrans-57-36.5175.1-67.7-24.8000111.4A108 H109D105-A108 PolarHBondContact O-N 2.87Å; D105-H109 WeakPolarHBondContact O-CB 3.41Å; D105-H109 PolarHBondContact O-N 3.35Å; D105-H109 PolarHBondContact O-ND1 3.03Å
106G91Very high92.1Very high18 Ų1837 Ų3719%0.18620%0.201CC..Hα-helixtrans-60.5-45.4175.400000112.8S104 H109 Y110 L139S104-G106 PolarHBondContact O-N 2.83Å; G106-H109 PolarHBondContact O-N 2.99Å; G106-Y110 WeakPolarHBondContact O-CB 3.39Å; G106-Y110 PolarHBondContact O-N 3.31Å; G106-L139 VanDerWaalsContact C-CD2 3.44Å
107V93.3Very high90.9Very high4 Ų435.6 Ų35.62%0.02420%0.201CC..Hα-helixtrans-65.4-43.9176.2168.30000110.4V103 S104 H109 Y110 I111 E142 M146V103-V107 HydrophobicContact CG1-CB 3.98Å; V103-V107 HydrophobicContact CG1-CG1 3.67Å; S104-V107 PolarHBondContact O-N 3.11Å; S104-V107 VanDerWaalsContact O-N 3.08Å; S104-V107 WeakPolarHBondContact OG-CG2 3.25Å; S104-V107 PolarHBondContact OG-N 2.66Å; S104-V107 VanDerWaalsContact OG-N 3.14Å; V107-H109 VanDerWaalsContact C-N 3.33Å; V107-H109 PolarHBondContact O-N 3.3Å; V107-Y110 WeakPolarHBondContact O-CB 3.47Å; V107-Y110 PolarHBondContact O-N 2.99Å; V107-Y110 VanDerWaalsContact O-N 3.15Å; V107-I111 HydrophobicContact CG1-CD1 3.74Å; V107-I111 HydrophobicContact CG1-CG1 4.29Å; V107-I111 VanDerWaalsContact O-CG1 3.29Å; V107-I111 WeakPolarHBondContact O-CG1 3.27Å; V107-I111 PolarHBondContact O-N 3.29Å; V107-E142 HydrophobicContact CG2-CB 3.58Å; V107-M146 HydrophobicContact CG1-CE 4.23Å; V107-M146 HydrophobicContact CG1-SD 3.8Å
108A92.3Very high89.2Confident0 Ų037.2 Ų37.20%022%0.22CC..Hα-helixtrans-61.3-40.5176.900000112.5L98 S104 D105 Q112L98-A108 HydrophobicContact CD1-CB 3.81Å; S104-A108 PolarHBondContact O-N 2.81Å; D105-A108 PolarHBondContact O-N 2.87Å; A108-Q112 WeakPolarHBondContact O-CG 3.24Å; A108-Q112 PolarHBondContact O-N 2.9Å; A108-Q112 PolarHBondContact O-NE2 3.38Å; A108-Q112 VanDerWaalsContact O-NE2 3.07Å
109H90Very high88Confident16 Ų1639 Ų397%0.07423%0.231CC..Hα-helixtrans-63.1-42.6173.1-67.3155.5000112.3D105 G106 V107 Q112 I132 L225D105-H109 WeakPolarHBondContact O-CB 3.41Å; D105-H109 PolarHBondContact O-N 3.35Å; D105-H109 PolarHBondContact O-ND1 3.03Å; G106-H109 PolarHBondContact O-N 2.99Å; V107-H109 VanDerWaalsContact C-N 3.33Å; V107-H109 PolarHBondContact O-N 3.3Å; H109-Q112 PolarHBondContact O-N 3.43Å; H109-I132 HydrophobicContact CB-CD1 3.69Å; H109-I132 HydrophobicContact CB-CG1 3.85Å; H109-L225 PolarHBondContact CD2-O 3.28Å; H109-L225 PolarHBondContact NE2-O 2.82Å
110Y92Very high87Confident6 Ų642.2 Ų42.22%0.02425%0.245CC..Hα-helixtrans-62.3-50.9179.3175-102.4000111G106 V107 Q112 L113 L136 L139 K140 T143 T322 N323G106-Y110 WeakPolarHBondContact O-CB 3.39Å; G106-Y110 PolarHBondContact O-N 3.31Å; V107-Y110 WeakPolarHBondContact O-CB 3.47Å; V107-Y110 PolarHBondContact O-N 2.99Å; V107-Y110 VanDerWaalsContact O-N 3.15Å; Y110-Q112 PolarHBondContact O-N 3.34Å; Y110-L113 VanDerWaalsContact O-CB 3.23Å; Y110-L113 WeakPolarHBondContact O-CB 3.4Å; Y110-L113 WeakPolarHBondContact O-CG 3.45Å; Y110-L113 PolarHBondContact O-N 3.4Å; Y110-L136 HydrophobicContact CD2-CD2 3.97Å; Y110-L136 HydrophobicContact CE2-CD2 3.9Å; Y110-L139 HydrophobicContact CD2-CB 3.98Å; Y110-L139 HydrophobicContact CG-CB 3.9Å; Y110-K140 HydrophobicContact CE1-CB 4.42Å; Y110-K140 HydrophobicContact CE2-CB 4.48Å; Y110-T143 HydrophobicContact CD1-CG2 4.37Å; Y110-T143 VanDerWaalsContact CD1-OG1 3.22Å; Y110-T143 WeakPolarHBondContact CD1-OG1 3.34Å; Y110-T143 HydrophobicContact CE1-CG2 4.37Å; Y110-T322 HydrophobicContact CD1-CG2 4.02Å; Y110-T322 HydrophobicContact CD2-CG2 3.8Å; Y110-T322 VanDerWaalsContact CE1-CB 3.5Å; Y110-T322 HydrophobicContact CE1-CG2 3.72Å; Y110-T322 HydrophobicContact CE2-CG2 3.46Å; Y110-T322 VanDerWaalsContact CE2-CG2 3.46Å; Y110-T322 HydrophobicContact CG-CG2 4.07Å; Y110-T322 VanDerWaalsContact CZ-CG2 3.4Å; Y110-T322 VanDerWaalsContact O-CG2 3.26Å; Y110-T322 WeakPolarHBondContact O-CG2 3.48Å; Y110-T322 PolarHBondContact O-OG1 2.85Å; Y110-N323 WeakPolarHBondContact OH-CB 3.35Å; Y110-N323 PolarHBondContact OH-N 3.47Å
111I92.7Very high86.4Confident0 Ų043.8 Ų43.80%024%0.243CC..Hα-helixtrans-56.3-37.5-180-66.4173.4000111.7F93 V107 L113 A114 T143 M146 F154 F157 V158 T322F93-I111 HydrophobicContact CE2-CB 4.16Å; F93-I111 HydrophobicContact CE2-CG2 3.84Å; F93-I111 HydrophobicContact CZ-CB 4.39Å; F93-I111 HydrophobicContact CZ-CG2 3.57Å; V107-I111 HydrophobicContact CG1-CD1 3.74Å; V107-I111 HydrophobicContact CG1-CG1 4.29Å; V107-I111 VanDerWaalsContact O-CG1 3.29Å; V107-I111 WeakPolarHBondContact O-CG1 3.27Å; V107-I111 PolarHBondContact O-N 3.29Å; I111-L113 PolarHBondContact O-N 3.25Å; I111-L113 VanDerWaalsContact O-N 3.16Å; I111-A114 WeakPolarHBondContact O-CB 3.29Å; I111-A114 PolarHBondContact O-N 2.87Å; I111-A114 VanDerWaalsContact O-N 3.13Å; I111-T143 HydrophobicContact CD1-CG2 4.05Å; I111-T143 HydrophobicContact CG1-CG2 3.92Å; I111-M146 HydrophobicContact CD1-CE 3.81Å; I111-F154 HydrophobicContact CB-CE2 4.33Å; I111-F154 HydrophobicContact CB-CZ 4.49Å; I111-F154 HydrophobicContact CG1-CE2 4.13Å; I111-F154 HydrophobicContact CG2-CE2 3.78Å; I111-F154 HydrophobicContact CG2-CZ 3.7Å; I111-F157 HydrophobicContact CD1-CD1 3.91Å; I111-F157 HydrophobicContact CD1-CE1 3.34Å; I111-F157 HydrophobicContact CD1-CZ 3.96Å; I111-F157 HydrophobicContact CG2-CE1 4.36Å; I111-V158 HydrophobicContact CG2-CG2 3.85Å; I111-T322 WeakPolarHBondContact CA-OG1 3.47Å; I111-T322 PolarHBondContact O-OG1 3.33Å
112Q89.7Confident86Confident1 Ų146 Ų461%0.00526%0.262CS..G310 helixtrans-63.6-18.7178.1-75.8177.885.900113.8R92 F93 A108 H109 Y110 A114 F115 A226 N228R92-Q112 PolarHBondContact NH1-O 2.92Å; F93-Q112 HydrophobicContact CD2-CG 3.88Å; F93-Q112 HydrophobicContact CE2-CG 3.44Å; F93-Q112 VanDerWaalsContact CE2-CG 3.44Å; F93-Q112 HydrophobicContact CZ-CG 4.11Å; A108-Q112 WeakPolarHBondContact O-CG 3.24Å; A108-Q112 PolarHBondContact O-N 2.9Å; A108-Q112 PolarHBondContact O-NE2 3.38Å; A108-Q112 VanDerWaalsContact O-NE2 3.07Å; H109-Q112 PolarHBondContact O-N 3.43Å; Y110-Q112 PolarHBondContact O-N 3.34Å; Q112-A114 PolarHBondContact O-N 3.22Å; Q112-F115 PolarHBondContact O-N 2.92Å; Q112-A226 VanDerWaalsContact CD-CB 3.47Å; Q112-N228 PolarHBondContact OE1-ND2 2.94Å; Q112-N228 PolarHBondContact OE1-OD1 3.46Å; Q112-N228 VanDerWaalsContact OE1-OD1 3.09Å
113L89.5Confident85.5Confident6 Ų646.6 Ų46.63%0.03126%0.255CS..G310 helixtrans-66.7-22.6175.6-60.1-168.5000112.8Y110 I111 F115 G116 L117 M128 I132 L136 T322 F325 L326Y110-L113 VanDerWaalsContact O-CB 3.23Å; Y110-L113 WeakPolarHBondContact O-CB 3.4Å; Y110-L113 WeakPolarHBondContact O-CG 3.45Å; Y110-L113 PolarHBondContact O-N 3.4Å; I111-L113 PolarHBondContact O-N 3.25Å; I111-L113 VanDerWaalsContact O-N 3.16Å; L113-F115 PolarHBondContact O-N 2.88Å; L113-G116 PolarHBondContact O-N 3.44Å; L113-L117 HydrophobicContact CD2-CD2 3.5Å; L113-L117 VanDerWaalsContact CD2-CD2 3.5Å; L113-L117 HydrophobicContact CD2-CG 4.34Å; L113-M128 HydrophobicContact CD2-CE 4.42Å; L113-I132 HydrophobicContact CD1-CG2 3.7Å; L113-I132 HydrophobicContact CG-CG2 4.37Å; L113-L136 HydrophobicContact CD1-CD2 4.32Å; L113-T322 HydrophobicContact CB-CG2 3.81Å; L113-F325 WeakPolarHBondContact O-CD1 3.27Å; L113-F325 WeakPolarHBondContact O-CE1 3.41Å; L113-L326 HydrophobicContact CB-CD1 4.43Å; L113-L326 HydrophobicContact CB-CD2 4.47Å; L113-L326 HydrophobicContact CD1-CD1 3.9Å
114A91.4Very high84.9Confident0 Ų046.1 Ų46.10%025%0.252CS..G310 helixtrans-64.2-16.8178.300000114.5I111 Q112 F154 M309I111-A114 WeakPolarHBondContact O-CB 3.29Å; I111-A114 PolarHBondContact O-N 2.87Å; I111-A114 VanDerWaalsContact O-N 3.13Å; Q112-A114 PolarHBondContact O-N 3.22Å; A114-F154 HydrophobicContact CB-CE1 3.74Å; A114-F154 HydrophobicContact CB-CZ 3.57Å; A114-M309 HydrophobicContact CB-CB 4.48Å
115F88.6Confident84.5Confident5 Ų551.6 Ų51.62%0.02227%0.265CS..G310 helixtrans-89.3-4.2176.3-69.2-93.1000113.5R92 F93 Q112 L113 V158 M189 T190 M309 A310R92-F115 VanDerWaalsContact NH2-CB 3.3Å; F93-F115 HydrophobicContact CZ-CE2 4.41Å; Q112-F115 PolarHBondContact O-N 2.92Å; L113-F115 PolarHBondContact O-N 2.88Å; F115-V158 HydrophobicContact CE2-CG1 4.02Å; F115-V158 HydrophobicContact CZ-CG1 3.57Å; F115-M189 HydrophobicContact CE1-CG 3.8Å; F115-M189 HydrophobicContact CE1-SD 3.62Å; F115-M189 HydrophobicContact CZ-CG 4.49Å; F115-M189 HydrophobicContact CZ-SD 3.94Å; F115-T190 VanDerWaalsContact CD1-O 3.3Å; F115-T190 WeakPolarHBondContact CD1-O 3.49Å; F115-M309 HydrophobicContact CD1-CG 4.09Å; F115-M309 HydrophobicContact CD2-CG 4.4Å; F115-M309 HydrophobicContact CE1-CG 3.69Å; F115-M309 HydrophobicContact CE2-CG 4.04Å; F115-M309 HydrophobicContact CG-CG 4.44Å; F115-M309 HydrophobicContact CZ-CG 3.68Å; F115-A310 HydrophobicContact CD1-CB 4.23Å
116G83.7Confident84.4Confident25 Ų2556.6 Ų56.626%0.25828%0.277SS..  trans106.2162.7-175.500000114.9L113L113-G116 PolarHBondContact O-N 3.44Å
117L67.2Low84.2Confident74 Ų7458 Ų5839%0.38728%0.278SS..  trans-117.1119.7-173.2-75.9160.1000109.7L113 M128 L326L113-L117 HydrophobicContact CD2-CD2 3.5Å; L113-L117 VanDerWaalsContact CD2-CD2 3.5Å; L113-L117 HydrophobicContact CD2-CG 4.34Å; L117-M128 HydrophobicContact CD2-CE 3.28Å; L117-M128 HydrophobicContact CD2-SD 3.54Å; L117-M128 VanDerWaalsContact CD2-SD 3.54Å; L117-L326 HydrophobicContact CD1-CD2 3.85Å
118A59.8Low83.8Confident66 Ų6658.5 Ų58.555%0.54528%0.28SS..  trans-137.176.3168.400000110.4K120 N231A118-K120 PolarHBondContact O-N 3.49Å; A118-N231 PolarHBondContact O-ND2 3.32Å
119T70.5Confident83.7Confident45 Ų4562.3 Ų62.328%0.27630%0.299SS..  trans-90.6100.3167.650.60000109.3M124 M128T119-M124 HydrophobicContact CG2-CB 3.84Å; T119-M128 HydrophobicContact CG2-CE 3.24Å; T119-M128 HydrophobicContact CG2-SD 3.76Å
120K73Confident83.6Confident194 Ų19468 Ų6884%0.84332%0.324SS*.  trans-86-32.4176.3-64.2-174.8179.6-1800112.4A118A118-K120 PolarHBondContact O-N 3.49Å
121H83.1Confident83.4Confident116 Ų11670.1 Ų70.154%0.53733%0.334SS..SBendtrans-95.3137.4-175.6-165.4-100.7000112.7Y123 M124 R125H121-Y123 VanDerWaalsContact C-N 3.27Å; H121-Y123 VanDerWaalsContact ND1-CB 3.28Å; H121-Y123 WeakPolarHBondContact ND1-CB 3.26Å; H121-Y123 PolarHBondContact ND1-N 3.36Å; H121-Y123 PolarHBondContact O-N 3.24Å; H121-M124 HydrophobicContact CB-CE 3.52Å; H121-M124 VanDerWaalsContact N-CE 3.3Å; H121-M124 PolarHBondContact O-N 3.3Å; H121-M124 VanDerWaalsContact O-N 3.1Å; H121-R125 PolarHBondContact O-N 3.47Å
122P86.4Confident83.2Confident94 Ų9470.1 Ų70.161%0.6133%0.334SS*.Hα-helixtrans-55.4-36-179.8-28.335.4000114.7M124 R125 R126P122-M124 PolarHBondContact O-N 3.43Å; P122-R125 PolarHBondContact O-N 2.93Å; P122-R126 PolarHBondContact O-N 3.46Å
123Y84.1Confident83.1Confident149 Ų14973.3 Ų73.358%0.58435%0.351SS*.Hα-helixtrans-57.3-47.6176.4175.7-98.3000111.8H121 R126 F127H121-Y123 VanDerWaalsContact C-N 3.27Å; H121-Y123 VanDerWaalsContact ND1-CB 3.28Å; H121-Y123 WeakPolarHBondContact ND1-CB 3.26Å; H121-Y123 PolarHBondContact ND1-N 3.36Å; H121-Y123 PolarHBondContact O-N 3.24Å; Y123-R126 WeakPolarHBondContact O-CB 3.35Å; Y123-R126 PolarHBondContact O-N 3.47Å; Y123-F127 PolarHBondContact O-N 3.44Å
124M82Confident83.3Confident7 Ų777 Ų773%0.03438%0.377CS..Hα-helixtrans-67.8-38.5179.8-62.3-174-75.700111.6T119 H121 P122 R126 F127 M128 F230 N231T119-M124 HydrophobicContact CG2-CB 3.84Å; H121-M124 HydrophobicContact CB-CE 3.52Å; H121-M124 VanDerWaalsContact N-CE 3.3Å; H121-M124 PolarHBondContact O-N 3.3Å; H121-M124 VanDerWaalsContact O-N 3.1Å; P122-M124 PolarHBondContact O-N 3.43Å; M124-R126 VanDerWaalsContact C-N 3.31Å; M124-R126 PolarHBondContact O-N 3.4Å; M124-F127 PolarHBondContact O-N 3.47Å; M124-M128 WeakPolarHBondContact O-CB 3.35Å; M124-M128 PolarHBondContact O-N 3.28Å; M124-F230 HydrophobicContact CG-CB 4.33Å; M124-F230 HydrophobicContact CG-CD2 4.45Å; M124-F230 HydrophobicContact SD-CB 4.28Å; M124-N231 WeakPolarHBondContact CE-OD1 3.04Å; M124-N231 VanDerWaalsContact SD-CG 3.53Å; M124-N231 PolarHBondContact SD-OD1 2.75Å
125R84.6Confident83.4Confident165 Ų16581 Ų8162%0.62339%0.394SS*.Hα-helixtrans-59.3-44.9174.9-175.1178.7178-174.50.2110.7H121 P122 M128 I129H121-R125 PolarHBondContact O-N 3.47Å; P122-R125 PolarHBondContact O-N 2.93Å; R125-M128 PolarHBondContact O-N 2.88Å; R125-I129 HydrophobicContact CG-CD1 3.93Å; R125-I129 WeakPolarHBondContact O-CB 3.35Å; R125-I129 VanDerWaalsContact O-CG1 3.25Å; R125-I129 WeakPolarHBondContact O-CG1 3.37Å; R125-I129 PolarHBondContact O-N 3.03Å
126R87.4Confident83.6Confident197 Ų19782 Ų8274%0.74340%0.4SS*.Hα-helixtrans-60.8-47.9176-177.3-178.6178.6-174.60.2111.8P122 Y123 M124 I129 K130P122-R126 PolarHBondContact O-N 3.46Å; Y123-R126 WeakPolarHBondContact O-CB 3.35Å; Y123-R126 PolarHBondContact O-N 3.47Å; M124-R126 VanDerWaalsContact C-N 3.31Å; M124-R126 PolarHBondContact O-N 3.4Å; R126-I129 PolarHBondContact O-N 2.91Å; R126-K130 WeakPolarHBondContact O-CB 3.42Å; R126-K130 PolarHBondContact O-N 3.15Å; R126-K130 VanDerWaalsContact O-N 3.13Å
127F86.3Confident84.1Confident49 Ų4986.7 Ų86.722%0.21542%0.419CS..Hα-helixtrans-58.9-50.3176.9179.4-83.8000111.3Y123 M124 I129 K130 E131 P227 F230Y123-F127 PolarHBondContact O-N 3.44Å; M124-F127 PolarHBondContact O-N 3.47Å; F127-I129 PolarHBondContact O-N 2.82Å; F127-K130 PolarHBondContact O-N 3.45Å; F127-E131 HydrophobicContact CD1-CB 4.46Å; F127-E131 HydrophobicContact CD1-CG 4.47Å; F127-E131 HydrophobicContact CD2-CG 4.19Å; F127-E131 HydrophobicContact CE1-CB 4.11Å; F127-E131 HydrophobicContact CE1-CG 4.21Å; F127-E131 HydrophobicContact CE2-CG 3.9Å; F127-E131 HydrophobicContact CG-CG 4.47Å; F127-E131 HydrophobicContact CZ-CB 4.23Å; F127-E131 HydrophobicContact CZ-CG 3.92Å; F127-E131 WeakPolarHBondContact O-CB 3.26Å; F127-E131 PolarHBondContact O-N 3.09Å; F127-P227 HydrophobicContact CD1-CB 4.48Å; F127-P227 HydrophobicContact CD1-CG 3.88Å; F127-P227 HydrophobicContact CE1-CG 3.87Å; F127-F230 AromaticContact CD1-CE2 3.6Å; F127-F230 HydrophobicContact CD1-CE2 3.6Å; F127-F230 HydrophobicContact CD1-CZ 4.3Å; F127-F230 HydrophobicContact CD2-CE2 4.03Å; F127-F230 HydrophobicContact CD2-CZ 4.47Å; F127-F230 AromaticContact CE1-CE2 3.65Å; F127-F230 HydrophobicContact CE1-CE2 3.65Å; F127-F230 AromaticContact CE1-CZ 3.89Å; F127-F230 HydrophobicContact CE1-CZ 3.89Å; F127-F230 HydrophobicContact CE2-CE2 4.07Å; F127-F230 HydrophobicContact CE2-CZ 4.07Å; F127-F230 AromaticContact CG-CE2 3.8Å; F127-F230 HydrophobicContact CG-CE2 3.8Å; F127-F230 AromaticContact CZ-CE2 3.88Å; F127-F230 HydrophobicContact CZ-CE2 3.88Å; F127-F230 AromaticContact CZ-CZ 3.76Å; F127-F230 HydrophobicContact CZ-CZ 3.76Å
128M86.4Confident85.5Confident14 Ų1489.4 Ų89.47%0.06943%0.428CS..Hα-helixtrans-59.2-43.6-180175.3-178.7-78.200112.3L113 L117 T119 M124 R125 I132 L133 P227L113-M128 HydrophobicContact CD2-CE 4.42Å; L117-M128 HydrophobicContact CD2-CE 3.28Å; L117-M128 HydrophobicContact CD2-SD 3.54Å; L117-M128 VanDerWaalsContact CD2-SD 3.54Å; T119-M128 HydrophobicContact CG2-CE 3.24Å; T119-M128 HydrophobicContact CG2-SD 3.76Å; M124-M128 WeakPolarHBondContact O-CB 3.35Å; M124-M128 PolarHBondContact O-N 3.28Å; R125-M128 PolarHBondContact O-N 2.88Å; M128-I132 HydrophobicContact CG-CD1 4.44Å; M128-I132 WeakPolarHBondContact O-CA 3.46Å; M128-I132 WeakPolarHBondContact O-CB 3Å; M128-I132 PolarHBondContact O-N 3.34Å; M128-L133 HydrophobicContact CG-CD1 4.09Å; M128-L133 HydrophobicContact CG-CG 4.01Å; M128-L133 PolarHBondContact O-N 3.2Å; M128-L133 HydrophobicContact SD-CD1 4.43Å; M128-P227 HydrophobicContact CE-CB 4.12Å; M128-P227 HydrophobicContact CE-CG 4.46Å
129I88.6Confident87.2Confident79 Ų7986.5 Ų86.541%0.40540%0.403SS..Hα-helixtrans-59.4-49.7176.6-72.2165.9000110.5R125 R126 F127 L133 S134R125-I129 HydrophobicContact CG-CD1 3.93Å; R125-I129 WeakPolarHBondContact O-CB 3.35Å; R125-I129 VanDerWaalsContact O-CG1 3.25Å; R125-I129 WeakPolarHBondContact O-CG1 3.37Å; R125-I129 PolarHBondContact O-N 3.03Å; R126-I129 PolarHBondContact O-N 2.91Å; F127-I129 PolarHBondContact O-N 2.82Å; I129-L133 HydrophobicContact CG1-CD1 3.96Å; I129-L133 PolarHBondContact O-N 3.17Å; I129-S134 WeakPolarHBondContact O-CB 3.46Å; I129-S134 PolarHBondContact O-N 2.84Å; I129-S134 PolarHBondContact O-OG 3.49Å
130K89Confident88.4Confident136 Ų13687.1 Ų87.159%0.59140%0.402SS*.Hα-helixtrans-70.6-43.2-174-176.3-170.9171.8-157.90113.2R126 F127 S134R126-K130 WeakPolarHBondContact O-CB 3.42Å; R126-K130 PolarHBondContact O-N 3.15Å; R126-K130 VanDerWaalsContact O-N 3.13Å; F127-K130 PolarHBondContact O-N 3.45Å; K130-S134 PolarHBondContact O-OG 2.89Å; K130-S134 VanDerWaalsContact O-OG 3.04Å
131E86.7Confident89.5Confident50 Ų5081.8 Ų81.823%0.23438%0.383CS..Hα-helixtrans-94.4-21.2-170.7-61.3-51.515000113.5F127 K135F127-E131 HydrophobicContact CD1-CB 4.46Å; F127-E131 HydrophobicContact CD1-CG 4.47Å; F127-E131 HydrophobicContact CD2-CG 4.19Å; F127-E131 HydrophobicContact CE1-CB 4.11Å; F127-E131 HydrophobicContact CE1-CG 4.21Å; F127-E131 HydrophobicContact CE2-CG 3.9Å; F127-E131 HydrophobicContact CG-CG 4.47Å; F127-E131 HydrophobicContact CZ-CB 4.23Å; F127-E131 HydrophobicContact CZ-CG 3.92Å; F127-E131 WeakPolarHBondContact O-CB 3.26Å; F127-E131 PolarHBondContact O-N 3.09Å; E131-K135 IonicContact OE2-NZ 3.99Å; E131-K135 PolarHBondContact OE2-NZ 2.74Å; E131-K135 VanDerWaalsContact OE2-NZ 3.11Å
132I88.8Confident90.2Very high0 Ų079.2 Ų79.20%037%0.371CS..THydrogen-bonded Turntrans-125-62.7-174.2-47.2171.9000111.3H109 L113 M128 S134 K135 L136 L139 P227H109-I132 HydrophobicContact CB-CD1 3.69Å; H109-I132 HydrophobicContact CB-CG1 3.85Å; L113-I132 HydrophobicContact CD1-CG2 3.7Å; L113-I132 HydrophobicContact CG-CG2 4.37Å; M128-I132 HydrophobicContact CG-CD1 4.44Å; M128-I132 WeakPolarHBondContact O-CA 3.46Å; M128-I132 WeakPolarHBondContact O-CB 3Å; M128-I132 PolarHBondContact O-N 3.34Å; I132-S134 VanDerWaalsContact C-N 3.31Å; I132-S134 PolarHBondContact O-N 3.42Å; I132-K135 CarbonylContact O-C 3.54Å; I132-K135 PolarHBondContact O-N 3Å; I132-L136 HydrophobicContact CG2-CD2 4.32Å; I132-L136 PolarHBondContact O-N 3.45Å; I132-L139 HydrophobicContact CG2-CD1 4.2Å; I132-P227 HydrophobicContact CD1-CG 3.51Å
133L88.4Confident90.6Very high69 Ų6975 Ų7536%0.36134%0.344SS..G310 helixtrans-64.8-34.8-168.7-58.3177.1000112.7M128 I129 K135 L136M128-L133 HydrophobicContact CG-CD1 4.09Å; M128-L133 HydrophobicContact CG-CG 4.01Å; M128-L133 PolarHBondContact O-N 3.2Å; M128-L133 HydrophobicContact SD-CD1 4.43Å; I129-L133 HydrophobicContact CG1-CD1 3.96Å; I129-L133 PolarHBondContact O-N 3.17Å; L133-K135 PolarHBondContact O-N 3.33Å; L133-L136 HydrophobicContact CD2-CD1 4.09Å; L133-L136 HydrophobicContact CD2-CD2 4.36Å; L133-L136 WeakPolarHBondContact O-CG 3.35Å
134S92.7Very high91.2Very high84 Ų8471.5 Ų71.559%0.58733%0.333SS*.G310 helixtrans-73.2-5.1176.473.40000114.1I129 K130 I132I129-S134 WeakPolarHBondContact O-CB 3.46Å; I129-S134 PolarHBondContact O-N 2.84Å; I129-S134 PolarHBondContact O-OG 3.49Å; K130-S134 PolarHBondContact O-OG 2.89Å; K130-S134 VanDerWaalsContact O-OG 3.04Å; I132-S134 VanDerWaalsContact C-N 3.31Å; I132-S134 PolarHBondContact O-N 3.42Å
135K93.9Very high91.9Very high82 Ų8276.3 Ų76.336%0.35736%0.355SS..G310 helixtrans-127.215-175.1-59.4174.7-169.9164.40112.4E131 I132 L133 D137 K138 L139E131-K135 IonicContact OE2-NZ 3.99Å; E131-K135 PolarHBondContact OE2-NZ 2.74Å; E131-K135 VanDerWaalsContact OE2-NZ 3.11Å; I132-K135 CarbonylContact O-C 3.54Å; I132-K135 PolarHBondContact O-N 3Å; L133-K135 PolarHBondContact O-N 3.33Å; K135-D137 PolarHBondContact O-N 2.96Å; K135-K138 PolarHBondContact O-N 2.83Å; K135-K138 VanDerWaalsContact O-N 3.16Å; K135-L139 HydrophobicContact CB-CD1 4.04Å; K135-L139 HydrophobicContact CB-CG 4.08Å; K135-L139 WeakPolarHBondContact O-CG 3.42Å; K135-L139 PolarHBondContact O-N 2.95Å
136L93.4Very high92.4Very high26 Ų2669 Ų6914%0.13633%0.328CS..Hα-helixtrans-53.2-50.3-170.8-74.5168.7000113.5Y110 L113 I132 L133 K138 L139 K140 L326Y110-L136 HydrophobicContact CD2-CD2 3.97Å; Y110-L136 HydrophobicContact CE2-CD2 3.9Å; L113-L136 HydrophobicContact CD1-CD2 4.32Å; I132-L136 HydrophobicContact CG2-CD2 4.32Å; I132-L136 PolarHBondContact O-N 3.45Å; L133-L136 HydrophobicContact CD2-CD1 4.09Å; L133-L136 HydrophobicContact CD2-CD2 4.36Å; L133-L136 WeakPolarHBondContact O-CG 3.35Å; L136-K138 VanDerWaalsContact C-N 3.31Å; L136-K138 PolarHBondContact O-N 2.88Å; L136-L139 PolarHBondContact O-N 2.93Å; L136-K140 VanDerWaalsContact O-CB 3.3Å; L136-K140 WeakPolarHBondContact O-CB 3.29Å; L136-K140 PolarHBondContact O-N 2.94Å; L136-L326 HydrophobicContact CD2-CD1 4.21Å
137D94.6Very high92.9Very high125 Ų12560.8 Ų60.867%0.66830%0.299SS*.Hα-helixtrans-63.4-38.9-177.6-63.6-34.7000112.3K135 N141K135-D137 PolarHBondContact O-N 2.96Å; D137-N141 PolarHBondContact O-N 2.92Å; D137-N141 VanDerWaalsContact O-N 3.15Å
138K96.3Very high93.3Very high131 Ų13168 Ų6857%0.5732%0.324SS*.Hα-helixtrans-64.1-50.8175.5177.4177.6171.5175.90110.7K135 L136 K140 N141 E142K135-K138 PolarHBondContact O-N 2.83Å; K135-K138 VanDerWaalsContact O-N 3.16Å; L136-K138 VanDerWaalsContact C-N 3.31Å; L136-K138 PolarHBondContact O-N 2.88Å; K138-K140 VanDerWaalsContact C-N 3.31Å; K138-K140 PolarHBondContact O-N 2.79Å; K138-N141 PolarHBondContact O-N 3.08Å; K138-E142 WeakPolarHBondContact CE-OE1 3.41Å; K138-E142 IonicContact NZ-OE1 2.84Å; K138-E142 WeakPolarHBondContact O-CG 3.48Å; K138-E142 PolarHBondContact O-N 3.46Å
139L95.3Very high93.8Very high5 Ų573.6 Ų73.63%0.02635%0.345CS..Hα-helixtrans-65.3-35.4-178-66.1176.3000112.1G106 Y110 I132 K135 L136 T143G106-L139 VanDerWaalsContact C-CD2 3.44Å; Y110-L139 HydrophobicContact CD2-CB 3.98Å; Y110-L139 HydrophobicContact CG-CB 3.9Å; I132-L139 HydrophobicContact CG2-CD1 4.2Å; K135-L139 HydrophobicContact CB-CD1 4.04Å; K135-L139 HydrophobicContact CB-CG 4.08Å; K135-L139 WeakPolarHBondContact O-CG 3.42Å; K135-L139 PolarHBondContact O-N 2.95Å; L136-L139 PolarHBondContact O-N 2.93Å; L139-T143 WeakPolarHBondContact O-CB 3.38Å; L139-T143 PolarHBondContact O-N 3.16Å; L139-T143 PolarHBondContact O-OG1 2.8Å
140K95.8Very high94.2Very high57 Ų5771.3 Ų71.325%0.24833%0.333CS..Hα-helixtrans-57.8-54.4171.3176.6-174.9175.3173.50111.4Y110 L136 K138 E142 T143 E144 N323Y110-K140 HydrophobicContact CE1-CB 4.42Å; Y110-K140 HydrophobicContact CE2-CB 4.48Å; L136-K140 VanDerWaalsContact O-CB 3.3Å; L136-K140 WeakPolarHBondContact O-CB 3.29Å; L136-K140 PolarHBondContact O-N 2.94Å; K138-K140 VanDerWaalsContact C-N 3.31Å; K138-K140 PolarHBondContact O-N 2.79Å; K140-E142 VanDerWaalsContact C-N 3.35Å; K140-E142 PolarHBondContact O-N 2.92Å; K140-T143 WeakPolarHBondContact O-CB 3.37Å; K140-T143 PolarHBondContact O-N 3.26Å; K140-T143 VanDerWaalsContact O-N 3.12Å; K140-E144 WeakPolarHBondContact CE-OE1 3.44Å; K140-E144 PolarHBondContact O-N 2.88Å; K140-N323 HydrophobicContact CD-CB 4.16Å; K140-N323 WeakPolarHBondContact CD-OD1 3.49Å; K140-N323 WeakPolarHBondContact CE-OD1 3.22Å; K140-N323 HydrophobicContact CG-CB 4.45Å; K140-N323 VanDerWaalsContact NZ-CG 3.33Å; K140-N323 PolarHBondContact NZ-ND2 2.83Å; K140-N323 PolarHBondContact NZ-OD1 3.16Å
141N96.5Very high94.5Very high83 Ų8372 Ų7244%0.44434%0.344SS..Hα-helixtrans-61.9-42.4-179.2-173.421.2000111.7D137 K138 T143 E144 Q145D137-N141 PolarHBondContact O-N 2.92Å; D137-N141 VanDerWaalsContact O-N 3.15Å; K138-N141 PolarHBondContact O-N 3.08Å; N141-T143 VanDerWaalsContact C-N 3.3Å; N141-T143 PolarHBondContact O-N 2.78Å; N141-E144 PolarHBondContact O-N 2.72Å; N141-Q145 PolarHBondContact ND2-NE2 3.08Å; N141-Q145 WeakPolarHBondContact O-CB 3.48Å; N141-Q145 VanDerWaalsContact O-CG 3.28Å; N141-Q145 WeakPolarHBondContact O-CG 3.44Å; N141-Q145 PolarHBondContact O-N 3.11Å; N141-Q145 PolarHBondContact OD1-NE2 2.04Å
142E96.6Very high94.9Very high62 Ų6272.4 Ų72.429%0.2935%0.346SS..Hα-helixtrans-60.1-39.8174.2-72.5179.3-175.100112V107 K138 K140 M146V107-E142 HydrophobicContact CG2-CB 3.58Å; K138-E142 WeakPolarHBondContact CE-OE1 3.41Å; K138-E142 IonicContact NZ-OE1 2.84Å; K138-E142 WeakPolarHBondContact O-CG 3.48Å; K138-E142 PolarHBondContact O-N 3.46Å; K140-E142 VanDerWaalsContact C-N 3.35Å; K140-E142 PolarHBondContact O-N 2.92Å; E142-M146 VanDerWaalsContact O-CB 3.27Å; E142-M146 WeakPolarHBondContact O-CB 3.33Å; E142-M146 PolarHBondContact O-N 2.86Å
143T96.3Very high95.2Very high6 Ų676.5 Ų76.54%0.03737%0.368CS..Hα-helixtrans-66-45.9176.8-56.10000111.5Y110 I111 L139 K140 N141 Q145 M146 L147Y110-T143 HydrophobicContact CD1-CG2 4.37Å; Y110-T143 VanDerWaalsContact CD1-OG1 3.22Å; Y110-T143 WeakPolarHBondContact CD1-OG1 3.34Å; Y110-T143 HydrophobicContact CE1-CG2 4.37Å; I111-T143 HydrophobicContact CD1-CG2 4.05Å; I111-T143 HydrophobicContact CG1-CG2 3.92Å; L139-T143 WeakPolarHBondContact O-CB 3.38Å; L139-T143 PolarHBondContact O-N 3.16Å; L139-T143 PolarHBondContact O-OG1 2.8Å; K140-T143 WeakPolarHBondContact O-CB 3.37Å; K140-T143 PolarHBondContact O-N 3.26Å; K140-T143 VanDerWaalsContact O-N 3.12Å; N141-T143 VanDerWaalsContact C-N 3.3Å; N141-T143 PolarHBondContact O-N 2.78Å; T143-Q145 PolarHBondContact O-N 3.18Å; T143-M146 HydrophobicContact CG2-CE 4.34Å; T143-M146 WeakPolarHBondContact O-CB 3.49Å; T143-M146 PolarHBondContact O-N 3.43Å; T143-L147 HydrophobicContact CG2-CD1 4.12Å; T143-L147 HydrophobicContact CG2-CG 4.45Å; T143-L147 WeakPolarHBondContact O-CG 3.32Å; T143-L147 PolarHBondContact O-N 3.49Å
144E95.9Very high95.5Very high74 Ų7473.9 Ų73.935%0.34635%0.354SS..Hα-helixtrans-62.6-42.4178-71.8176.7-166.700111.7K140 N141 L147 R148K140-E144 WeakPolarHBondContact CE-OE1 3.44Å; K140-E144 PolarHBondContact O-N 2.88Å; N141-E144 PolarHBondContact O-N 2.72Å; E144-L147 PolarHBondContact O-N 3.22Å; E144-R148 WeakPolarHBondContact O-CB 3.39Å; E144-R148 VanDerWaalsContact O-CG 3.28Å; E144-R148 WeakPolarHBondContact O-CG 3.31Å; E144-R148 PolarHBondContact O-N 2.86Å
145Q95.8Very high95.5Very high109 Ų10970.4 Ų70.451%0.50933%0.331SS..Hα-helixtrans-63.9-41.5174.9-71.217522.400111.8N141 T143 R148 R149N141-Q145 PolarHBondContact ND2-NE2 3.08Å; N141-Q145 WeakPolarHBondContact O-CB 3.48Å; N141-Q145 VanDerWaalsContact O-CG 3.28Å; N141-Q145 WeakPolarHBondContact O-CG 3.44Å; N141-Q145 PolarHBondContact O-N 3.11Å; N141-Q145 PolarHBondContact OD1-NE2 2.04Å; T143-Q145 PolarHBondContact O-N 3.18Å; Q145-R148 PolarHBondContact O-N 3.29Å; Q145-R149 WeakPolarHBondContact O-CB 3.32Å; Q145-R149 PolarHBondContact O-N 3.02Å
146M96.5Very high95.5Very high10 Ų1070.7 Ų70.75%0.04934%0.336CS..Hα-helixtrans-61.2-49.4175.9179-158.172.300111.4V103 V107 I111 E142 T143 R148 R149 L150 F157V103-M146 HydrophobicContact CB-SD 4.11Å; V103-M146 HydrophobicContact CG1-SD 3.66Å; V103-M146 HydrophobicContact CG2-CG 4.39Å; V103-M146 HydrophobicContact CG2-SD 3.49Å; V103-M146 WeakPolarHBondContact CG2-SD 3.38Å; V107-M146 HydrophobicContact CG1-CE 4.23Å; V107-M146 HydrophobicContact CG1-SD 3.8Å; I111-M146 HydrophobicContact CD1-CE 3.81Å; E142-M146 VanDerWaalsContact O-CB 3.27Å; E142-M146 WeakPolarHBondContact O-CB 3.33Å; E142-M146 PolarHBondContact O-N 2.86Å; T143-M146 HydrophobicContact CG2-CE 4.34Å; T143-M146 WeakPolarHBondContact O-CB 3.49Å; T143-M146 PolarHBondContact O-N 3.43Å; M146-R148 VanDerWaalsContact C-N 3.35Å; M146-R148 PolarHBondContact O-N 3.09Å; M146-R149 PolarHBondContact O-N 2.82Å; M146-L150 HydrophobicContact CG-CD1 4.04Å; M146-L150 WeakPolarHBondContact O-CG 3.29Å; M146-L150 PolarHBondContact O-N 2.83Å; M146-F157 HydrophobicContact CE-CD1 4.3Å; M146-F157 HydrophobicContact CE-CD2 3.79Å; M146-F157 HydrophobicContact CE-CE1 4.08Å; M146-F157 HydrophobicContact CE-CE2 3.5Å; M146-F157 VanDerWaalsContact CE-CE2 3.5Å; M146-F157 HydrophobicContact CE-CG 4.17Å; M146-F157 HydrophobicContact CE-CZ 3.67Å; M146-F157 HydrophobicContact SD-CE2 3.79Å; M146-F157 HydrophobicContact SD-CZ 3.95Å
147L96.7Very high95.6Very high25 Ų2569.5 Ų69.513%0.13133%0.33CS..Hα-helixtrans-62-41.5179.8-70.1173000111.8T143 E144 L150 N151 M152 F154 F157T143-L147 HydrophobicContact CG2-CD1 4.12Å; T143-L147 HydrophobicContact CG2-CG 4.45Å; T143-L147 WeakPolarHBondContact O-CG 3.32Å; T143-L147 PolarHBondContact O-N 3.49Å; E144-L147 PolarHBondContact O-N 3.22Å; L147-L150 PolarHBondContact O-N 2.9Å; L147-N151 PolarHBondContact O-N 3.41Å; L147-M152 PolarHBondContact O-N 2.97Å; L147-F154 HydrophobicContact CD1-CB 4.4Å; L147-F154 HydrophobicContact CD1-CD2 4.24Å; L147-F157 HydrophobicContact CD2-CB 3.62Å; L147-F157 HydrophobicContact CD2-CD2 4.24Å; L147-F157 HydrophobicContact CD2-CG 3.91Å
148R96.2Very high95.5Very high200 Ų20063.5 Ų63.576%0.75530%0.298SS*.Hα-helixtrans-61.5-43.5173.6-72.6175.8-171.2-128.84.7112.3E144 Q145 M146 L150 N151E144-R148 WeakPolarHBondContact O-CB 3.39Å; E144-R148 VanDerWaalsContact O-CG 3.28Å; E144-R148 WeakPolarHBondContact O-CG 3.31Å; E144-R148 PolarHBondContact O-N 2.86Å; Q145-R148 PolarHBondContact O-N 3.29Å; M146-R148 VanDerWaalsContact C-N 3.35Å; M146-R148 PolarHBondContact O-N 3.09Å; R148-L150 VanDerWaalsContact C-N 3.31Å; R148-L150 PolarHBondContact O-N 3.37Å; R148-N151 PolarHBondContact O-N 3.12Å
149R96.4Very high95.4Very high133 Ų13361 Ų6150%0.50229%0.288SS..Hα-helixtrans-63.1-37.5177.8177176.45887.5-1.4112.3H101 Q145 M146 N151H101-R149 PolarHBondContact O-NH1 3.24Å; H101-R149 VanDerWaalsContact O-NH1 3.17Å; H101-R149 PolarHBondContact O-NH2 2.88Å; Q145-R149 WeakPolarHBondContact O-CB 3.32Å; Q145-R149 PolarHBondContact O-N 3.02Å; M146-R149 PolarHBondContact O-N 2.82Å; R149-N151 VanDerWaalsContact C-N 3.34Å
150L95.6Very high95.3Very high30 Ų3062.8 Ų62.816%0.15730%0.304CS..Hα-helixtrans-83.6-10.8178.9-63.6179.3000113.3H101 M146 L147 R148 M152 F157H101-L150 HydrophobicContact CB-CD1 4.32Å; H101-L150 HydrophobicContact CB-CD2 4.19Å; H101-L150 VanDerWaalsContact CD2-CD2 3.48Å; H101-L150 WeakPolarHBondContact CD2-CD2 3.37Å; M146-L150 HydrophobicContact CG-CD1 4.04Å; M146-L150 WeakPolarHBondContact O-CG 3.29Å; M146-L150 PolarHBondContact O-N 2.83Å; L147-L150 PolarHBondContact O-N 2.9Å; R148-L150 VanDerWaalsContact C-N 3.31Å; R148-L150 PolarHBondContact O-N 3.37Å; L150-M152 HydrophobicContact CB-CB 4.37Å; L150-M152 HydrophobicContact CB-CG 4.11Å; L150-M152 HydrophobicContact CB-SD 4.12Å; L150-M152 HydrophobicContact CD1-SD 4.41Å; L150-M152 PolarHBondContact O-N 3.02Å; L150-F157 HydrophobicContact CD1-CD2 3.89Å; L150-F157 HydrophobicContact CD1-CE2 3.95Å
151N96.5Very high95.3Very high151 Ų15160.1 Ų60.181%0.80729%0.292SS*.THydrogen-bonded Turntrans52.143.3-172.3-166.147.8000112.4L147 R148 R149L147-N151 PolarHBondContact O-N 3.41Å; R148-N151 PolarHBondContact O-N 3.12Å; R149-N151 VanDerWaalsContact C-N 3.34Å
152M95.3Very high95.1Very high59 Ų5956.4 Ų56.429%0.29127%0.273SS..  trans-119.3144.6-179.7-70.2176.7178.300110.3L147 L150 D156 F157L147-M152 PolarHBondContact O-N 2.97Å; L150-M152 HydrophobicContact CB-CB 4.37Å; L150-M152 HydrophobicContact CB-CG 4.11Å; L150-M152 HydrophobicContact CB-SD 4.12Å; L150-M152 HydrophobicContact CD1-SD 4.41Å; L150-M152 PolarHBondContact O-N 3.02Å; M152-D156 HydrophobicContact CB-CB 4.48Å; M152-F157 HydrophobicContact CB-CB 4.42Å; M152-F157 HydrophobicContact SD-CD2 4.5Å
153N94.6Very high94.9Very high85 Ų8553.7 Ų53.746%0.45526%0.261SS..  trans-75.4167.6164.278.543.2000109.9G155 D156 F157N153-G155 VanDerWaalsContact C-N 3.35Å; N153-G155 PolarHBondContact O-N 3.31Å; N153-G155 WeakPolarHBondContact OD1-CA 2.85Å; N153-G155 PolarHBondContact OD1-N 3.24Å; N153-D156 PolarHBondContact ND2-OD1 2.85Å; N153-D156 PolarHBondContact ND2-OD2 3.37Å; N153-D156 PolarHBondContact O-N 2.94Å; N153-D156 PolarHBondContact OD1-N 2.76Å; N153-D156 PolarHBondContact OD1-OD1 3.37Å; N153-F157 PolarHBondContact O-N 3.47Å
154F94.3Very high94.8Very high15 Ų1559.9 Ų59.97%0.06628%0.283CS..Hα-helixtrans-61.5-41.1-177.7-176.1-93.3000112.8I111 A114 L147 F157 V158 M309 C320 D321I111-F154 HydrophobicContact CB-CE2 4.33Å; I111-F154 HydrophobicContact CB-CZ 4.49Å; I111-F154 HydrophobicContact CG1-CE2 4.13Å; I111-F154 HydrophobicContact CG2-CE2 3.78Å; I111-F154 HydrophobicContact CG2-CZ 3.7Å; A114-F154 HydrophobicContact CB-CE1 3.74Å; A114-F154 HydrophobicContact CB-CZ 3.57Å; L147-F154 HydrophobicContact CD1-CB 4.4Å; L147-F154 HydrophobicContact CD1-CD2 4.24Å; F154-F157 PolarHBondContact O-N 2.78Å; F154-V158 HydrophobicContact CD1-CG2 4.21Å; F154-V158 HydrophobicContact CE1-CG2 3.85Å; F154-V158 HydrophobicContact CZ-CG2 4.11Å; F154-V158 WeakPolarHBondContact O-CG2 3.15Å; F154-V158 PolarHBondContact O-N 2.96Å; F154-M309 HydrophobicContact CD1-SD 4.45Å; F154-M309 HydrophobicContact CE1-SD 4.23Å; F154-C320 WeakPolarHBondContact CE1-O 3.11Å; F154-D321 HydrophobicContact CB-CB 4.2Å; F154-D321 HydrophobicContact CD1-CB 4.45Å; F154-D321 HydrophobicContact CD2-CB 3.81Å; F154-D321 HydrophobicContact CE2-CB 4.29Å; F154-D321 HydrophobicContact CG-CB 3.9Å
155G92.8Very high94.8Very high10 Ų1057 Ų5710%0.10327%0.271CS..Hα-helixtrans-65-47.817900000112.7N153 F157 V158 E159N153-G155 VanDerWaalsContact C-N 3.35Å; N153-G155 PolarHBondContact O-N 3.31Å; N153-G155 WeakPolarHBondContact OD1-CA 2.85Å; N153-G155 PolarHBondContact OD1-N 3.24Å; G155-F157 VanDerWaalsContact C-N 3.29Å; G155-F157 PolarHBondContact O-N 3.48Å; G155-V158 PolarHBondContact O-N 2.98Å; G155-V158 VanDerWaalsContact O-N 3.15Å; G155-E159 WeakPolarHBondContact O-CB 3.09Å; G155-E159 PolarHBondContact O-N 2.92Å
156D93.8Very high94.7Very high89 Ų8955.6 Ų55.648%0.47627%0.273SS..Hα-helixtrans-60.1-40.9177.8-60-10.9000110.9M152 N153 E159 A160M152-D156 HydrophobicContact CB-CB 4.48Å; N153-D156 PolarHBondContact ND2-OD1 2.85Å; N153-D156 PolarHBondContact ND2-OD2 3.37Å; N153-D156 PolarHBondContact O-N 2.94Å; N153-D156 PolarHBondContact OD1-N 2.76Å; N153-D156 PolarHBondContact OD1-OD1 3.37Å; D156-E159 PolarHBondContact O-N 3.45Å; D156-A160 VanDerWaalsContact O-CB 3.25Å; D156-A160 WeakPolarHBondContact O-CB 3.21Å; D156-A160 PolarHBondContact O-N 3Å
157F95.5Very high94.6Very high0 Ų056.2 Ų56.20%028%0.277CS..Hα-helixtrans-62.2-47.8175174.2-88.4000111.3F97 L98 V103 I111 M146 L147 L150 M152 N153 F154 G155 E159 A160 A161F97-F157 HydrophobicContact CE1-CD2 4.18Å; F97-F157 AromaticContact CE1-CE2 3.85Å; F97-F157 HydrophobicContact CE1-CE2 3.85Å; F97-F157 HydrophobicContact CE1-CZ 4.43Å; L98-F157 HydrophobicContact CD2-CZ 3.97Å; V103-F157 HydrophobicContact CG1-CZ 4.44Å; V103-F157 HydrophobicContact CG2-CE2 4.12Å; V103-F157 HydrophobicContact CG2-CZ 4.12Å; I111-F157 HydrophobicContact CD1-CD1 3.91Å; I111-F157 HydrophobicContact CD1-CE1 3.34Å; I111-F157 HydrophobicContact CD1-CZ 3.96Å; I111-F157 HydrophobicContact CG2-CE1 4.36Å; M146-F157 HydrophobicContact CE-CD1 4.3Å; M146-F157 HydrophobicContact CE-CD2 3.79Å; M146-F157 HydrophobicContact CE-CE1 4.08Å; M146-F157 HydrophobicContact CE-CE2 3.5Å; M146-F157 VanDerWaalsContact CE-CE2 3.5Å; M146-F157 HydrophobicContact CE-CG 4.17Å; M146-F157 HydrophobicContact CE-CZ 3.67Å; M146-F157 HydrophobicContact SD-CE2 3.79Å; M146-F157 HydrophobicContact SD-CZ 3.95Å; L147-F157 HydrophobicContact CD2-CB 3.62Å; L147-F157 HydrophobicContact CD2-CD2 4.24Å; L147-F157 HydrophobicContact CD2-CG 3.91Å; L150-F157 HydrophobicContact CD1-CD2 3.89Å; L150-F157 HydrophobicContact CD1-CE2 3.95Å; M152-F157 HydrophobicContact CB-CB 4.42Å; M152-F157 HydrophobicContact SD-CD2 4.5Å; N153-F157 PolarHBondContact O-N 3.47Å; F154-F157 PolarHBondContact O-N 2.78Å; G155-F157 VanDerWaalsContact C-N 3.29Å; G155-F157 PolarHBondContact O-N 3.48Å; F157-E159 VanDerWaalsContact C-N 3.3Å; F157-E159 PolarHBondContact O-N 3.28Å; F157-A160 PolarHBondContact O-N 2.9Å; F157-A161 HydrophobicContact CD1-CB 4.48Å; F157-A161 HydrophobicContact CE1-CB 4.07Å; F157-A161 HydrophobicContact CZ-CB 4.24Å; F157-A161 WeakPolarHBondContact O-CB 3.22Å; F157-A161 PolarHBondContact O-N 3.11Å
158V93.8Very high94.5Very high0 Ų055.1 Ų55.10%027%0.271CS..Hα-helixtrans-62.4-41-180167.90000111F93 I111 F115 F154 G155 A161 S162 M189 M309F93-V158 HydrophobicContact CE1-CG1 4.16Å; F93-V158 HydrophobicContact CZ-CG2 4.36Å; I111-V158 HydrophobicContact CG2-CG2 3.85Å; F115-V158 HydrophobicContact CE2-CG1 4.02Å; F115-V158 HydrophobicContact CZ-CG1 3.57Å; F154-V158 HydrophobicContact CD1-CG2 4.21Å; F154-V158 HydrophobicContact CE1-CG2 3.85Å; F154-V158 HydrophobicContact CZ-CG2 4.11Å; F154-V158 WeakPolarHBondContact O-CG2 3.15Å; F154-V158 PolarHBondContact O-N 2.96Å; G155-V158 PolarHBondContact O-N 2.98Å; G155-V158 VanDerWaalsContact O-N 3.15Å; V158-A161 PolarHBondContact O-N 3.41Å; V158-S162 PolarHBondContact O-N 3.25Å; V158-S162 VanDerWaalsContact O-N 3.11Å; V158-S162 PolarHBondContact O-OG 3.41Å; V158-M189 HydrophobicContact CG1-CE 4.32Å; V158-M309 HydrophobicContact CB-CE 3.85Å; V158-M309 HydrophobicContact CB-SD 4.3Å; V158-M309 HydrophobicContact CG1-CE 3.34Å; V158-M309 HydrophobicContact CG1-CG 4.5Å; V158-M309 HydrophobicContact CG1-SD 4.08Å; V158-M309 HydrophobicContact CG2-SD 4.37Å
159E92.6Very high94.4Very high77 Ų7746.4 Ų46.436%0.3624%0.239SC..Hα-helixtrans-64.1-46.6177-175.461.6-162.400111.5G155 D156 F157 S162 M189 K194G155-E159 WeakPolarHBondContact O-CB 3.09Å; G155-E159 PolarHBondContact O-N 2.92Å; D156-E159 PolarHBondContact O-N 3.45Å; F157-E159 VanDerWaalsContact C-N 3.3Å; F157-E159 PolarHBondContact O-N 3.28Å; E159-S162 WeakPolarHBondContact O-CB 3.06Å; E159-S162 PolarHBondContact O-N 2.86Å; E159-M189 WeakPolarHBondContact OE2-CE 3.11Å; E159-K194 WeakPolarHBondContact OE1-CE 3.42Å; E159-K194 IonicContact OE1-NZ 2.59Å; E159-K194 PolarHBondContact OE1-NZ 2.6Å; E159-K194 IonicContact OE2-NZ 2.72Å
160A94.5Very high94.4Very high44 Ų4444.2 Ų44.236%0.36424%0.24SC..Hα-helixtrans-69.1-33178.200000113.2F97 D156 F157 S162F97-A160 WeakPolarHBondContact CD2-O 3.45Å; F97-A160 HydrophobicContact CE1-CB 4.39Å; F97-A160 HydrophobicContact CE2-CB 3.72Å; F97-A160 HydrophobicContact CZ-CB 3.59Å; D156-A160 VanDerWaalsContact O-CB 3.25Å; D156-A160 WeakPolarHBondContact O-CB 3.21Å; D156-A160 PolarHBondContact O-N 3Å; F157-A160 PolarHBondContact O-N 2.9Å; A160-S162 VanDerWaalsContact C-N 3.29Å
161A94.4Very high94.4Very high0 Ų044.3 Ų44.30%025%0.245CC..Hα-helixtrans-78.9-10.8177.100000113.2F93 D94 F97 L98 F157 V158F93-A161 CarbonylContact C-O 3.56Å; F93-A161 VanDerWaalsContact CA-O 3.25Å; F93-A161 WeakPolarHBondContact CA-O 3.27Å; F93-A161 HydrophobicContact CD1-CB 3.83Å; F93-A161 HydrophobicContact CE1-CB 4.2Å; F93-A161 HydrophobicContact CG-CB 4.36Å; D94-A161 PolarHBondContact N-O 3.39Å; F97-A161 HydrophobicContact CD1-CB 3.63Å; F97-A161 HydrophobicContact CE1-CB 3.85Å; F97-A161 HydrophobicContact CG-CB 4.48Å; L98-A161 HydrophobicContact CD2-CB 4.31Å; F157-A161 HydrophobicContact CD1-CB 4.48Å; F157-A161 HydrophobicContact CE1-CB 4.07Å; F157-A161 HydrophobicContact CZ-CB 4.24Å; F157-A161 WeakPolarHBondContact O-CB 3.22Å; F157-A161 PolarHBondContact O-N 3.11Å; V158-A161 PolarHBondContact O-N 3.41Å
162S93.7Very high94.4Very high6 Ų637.2 Ų37.24%0.04221%0.207CC..BIsolated β-bridgetrans-74.4151.2179.8-67.60000112.1R92 V158 E159 A160R92-S162 WeakPolarHBondContact O-CA 3.46Å; V158-S162 PolarHBondContact O-N 3.25Å; V158-S162 VanDerWaalsContact O-N 3.11Å; V158-S162 PolarHBondContact O-OG 3.41Å; E159-S162 WeakPolarHBondContact O-CB 3.06Å; E159-S162 PolarHBondContact O-N 2.86Å; A160-S162 VanDerWaalsContact C-N 3.29Å
163L92.8Very high94.5Very high5 Ų538.3 Ų38.33%0.02621%0.211CC..PPolyproline II helixtrans-60.8146.6173-69.5167.5000110.6P89 D94 I168 F196 P219 L222 Y223P89-L163 HydrophobicContact CB-CD1 4.34Å; D94-L163 HydrophobicContact CB-CD2 3.89Å; L163-I168 HydrophobicContact CB-CD1 3.86Å; L163-I168 HydrophobicContact CB-CG1 4.5Å; L163-I168 HydrophobicContact CD1-CD1 4.38Å; L163-F196 WeakPolarHBondContact O-CZ 3.38Å; L163-P219 HydrophobicContact CD1-CG 4.45Å; L163-P219 HydrophobicContact CD2-CG 4.18Å; L163-L222 HydrophobicContact CD2-CB 4.13Å; L163-L222 HydrophobicContact CD2-CD1 4.17Å; L163-Y223 HydrophobicContact CD1-CD1 4.3Å; L163-Y223 HydrophobicContact CD1-CE1 3.78Å
164R93.9Very high94.5Very high136 Ų13635 Ų3551%0.51320%0.197SC..PPolyproline II helixtrans-90.2157.3175.7-52.6169.1-63.4172.66.3110.2S166 D167R164-S166 VanDerWaalsContact C-N 3.28Å; R164-S166 PolarHBondContact O-N 2.93Å; R164-D167 VanDerWaalsContact CB-OD2 3.26Å; R164-D167 WeakPolarHBondContact CB-OD2 3.19Å; R164-D167 IonicContact CZ-OD1 2.83Å; R164-D167 IonicContact CZ-OD2 2.82Å; R164-D167 PolarHBondContact N-OD2 3.03Å; R164-D167 IonicContact NE-OD1 2.75Å; R164-D167 IonicContact NE-OD2 3.17Å; R164-D167 PolarHBondContact NE-OD2 2.71Å; R164-D167 IonicContact NH2-OD1 3.79Å; R164-D167 PolarHBondContact NH2-OD1 3.49Å; R164-D167 IonicContact NH2-OD2 3.06Å; R164-D167 PolarHBondContact NH2-OD2 2.85Å; R164-D167 WeakPolarHBondContact O-CB 3.29Å; R164-D167 PolarHBondContact O-N 2.94Å
165C94.8Very high94.4Very high12 Ų1236.6 Ų36.68%0.08121%0.209CC..G310 helixtrans-54.4-45.2177.4-177.80000112D167 I168 F169 C182 I185 F196C165-D167 PolarHBondContact O-N 3.42Å; C165-D167 VanDerWaalsContact O-N 3.15Å; C165-I168 PolarHBondContact O-N 2.99Å; C165-F169 HydrophobicContact CB-CD2 4.43Å; C165-F169 WeakPolarHBondContact O-CD2 3.32Å; C165-F169 PolarHBondContact O-N 2.94Å; C165-F169 WeakPolarHBondContact SG-CD2 3.44Å; C165-C182 HydrophobicContact CB-CB 3.74Å; C165-C182 WeakPolarHBondContact CB-SG 3.3Å; C165-C182 WeakPolarHBondContact SG-CA 3.21Å; C165-C182 WeakPolarHBondContact SG-CB 3.43Å; C165-C182 CovalentContact SG-SG 2.03Å; C165-C182 PolarHBondContact SG-SG 2.81Å; C165-I185 HydrophobicContact CB-CG2 4.07Å; C165-F196 HydrophobicContact CB-CD1 3.79Å; C165-F196 HydrophobicContact CB-CE1 3.69Å; C165-F196 HydrophobicContact CB-CG 4.38Å; C165-F196 HydrophobicContact CB-CZ 4.22Å
166S94.2Very high94.3Very high80 Ų8043.9 Ų43.956%0.55925%0.246SC*.G310 helixtrans-66.1-15.418055.10000114.7R164 I168R164-S166 VanDerWaalsContact C-N 3.28Å; R164-S166 PolarHBondContact O-N 2.93Å; S166-I168 VanDerWaalsContact C-N 3.32Å
167D93.7Very high94.2Very high24 Ų2441 Ų4113%0.12824%0.237CC..G310 helixtrans-81.3-14.9174.5-60.4-57.4000112.1R96 R164 C165 P219R96-D167 IonicContact CZ-OD1 2.78Å; R96-D167 IonicContact NH1-OD1 3.71Å; R96-D167 PolarHBondContact NH1-OD1 3.38Å; R96-D167 IonicContact NH2-OD1 3.53Å; R96-D167 PolarHBondContact NH2-OD1 3.28Å; R96-D167 IonicContact NH2-OD2 3.89Å; R96-D167 PolarHBondContact NH2-OD2 2.99Å; R164-D167 VanDerWaalsContact CB-OD2 3.26Å; R164-D167 WeakPolarHBondContact CB-OD2 3.19Å; R164-D167 IonicContact CZ-OD1 2.83Å; R164-D167 IonicContact CZ-OD2 2.82Å; R164-D167 PolarHBondContact N-OD2 3.03Å; R164-D167 IonicContact NE-OD1 2.75Å; R164-D167 IonicContact NE-OD2 3.17Å; R164-D167 PolarHBondContact NE-OD2 2.71Å; R164-D167 IonicContact NH2-OD1 3.79Å; R164-D167 PolarHBondContact NH2-OD1 3.49Å; R164-D167 IonicContact NH2-OD2 3.06Å; R164-D167 PolarHBondContact NH2-OD2 2.85Å; R164-D167 WeakPolarHBondContact O-CB 3.29Å; R164-D167 PolarHBondContact O-N 2.94Å; C165-D167 PolarHBondContact O-N 3.42Å; C165-D167 VanDerWaalsContact O-N 3.15Å; D167-P219 HydrophobicContact CB-CG 4.41Å; D167-P219 WeakPolarHBondContact O-CD 3.44Å; D167-P219 WeakPolarHBondContact O-CG 3.45Å
168I94.3Very high94.2Very high1 Ų146.1 Ų46.11%0.00527%0.27CS..THydrogen-bonded Turntrans-117.1-46.2-171.3-62.4149000111.8P89 L163 C165 S166 F196 L216 S217 L218P89-I168 HydrophobicContact CB-CD1 4.4Å; P89-I168 HydrophobicContact CG-CD1 3.31Å; P89-I168 HydrophobicContact CG-CG1 4.11Å; L163-I168 HydrophobicContact CB-CD1 3.86Å; L163-I168 HydrophobicContact CB-CG1 4.5Å; L163-I168 HydrophobicContact CD1-CD1 4.38Å; C165-I168 PolarHBondContact O-N 2.99Å; S166-I168 VanDerWaalsContact C-N 3.32Å; I168-F196 HydrophobicContact CD1-CD2 4.25Å; I168-F196 HydrophobicContact CD1-CE2 3.56Å; I168-F196 HydrophobicContact CD1-CZ 4.4Å; I168-L216 HydrophobicContact CG2-CB 4.39Å; I168-L216 HydrophobicContact CG2-CD2 4.17Å; I168-L216 CarbonylContact O-C 3.56Å; I168-L216 VanDerWaalsContact O-CA 3.29Å; I168-L216 WeakPolarHBondContact O-CA 3.17Å; I168-S217 PolarHBondContact O-N 2.91Å; I168-L218 HydrophobicContact CG2-CD2 4.33Å
169F96Very high94.2Very high17 Ų1749.4 Ų49.48%0.07528%0.284CS..EExtended strand (participates in β ladder)trans-83.6129-175.3-72.2-97.7000110.8I87 C165 C181 F196 V198 I214 L216I87-F169 HydrophobicContact CB-CZ 4.09Å; I87-F169 HydrophobicContact CD1-CE1 3.71Å; I87-F169 HydrophobicContact CD1-CZ 3.81Å; I87-F169 HydrophobicContact CG2-CZ 4.3Å; C165-F169 HydrophobicContact CB-CD2 4.43Å; C165-F169 WeakPolarHBondContact O-CD2 3.32Å; C165-F169 PolarHBondContact O-N 2.94Å; C165-F169 WeakPolarHBondContact SG-CD2 3.44Å; F169-C181 HydrophobicContact CB-CB 3.83Å; F169-C181 HydrophobicContact CD1-CB 3.62Å; F169-C181 HydrophobicContact CE1-CB 4.41Å; F169-C181 HydrophobicContact CG-CB 3.88Å; F169-F196 HydrophobicContact CE2-CB 3.77Å; F169-F196 AromaticContact CE2-CD2 3.93Å; F169-F196 HydrophobicContact CE2-CD2 3.93Å; F169-F196 AromaticContact CE2-CG 3.98Å; F169-F196 HydrophobicContact CE2-CG 3.98Å; F169-F196 HydrophobicContact CZ-CB 4.02Å; F169-V198 HydrophobicContact CE1-CG2 3.53Å; F169-V198 HydrophobicContact CZ-CG2 3.81Å; F169-I214 HydrophobicContact CD1-CG2 3.84Å; F169-I214 HydrophobicContact CE1-CG2 3.7Å; F169-L216 HydrophobicContact CB-CD2 4.45Å; F169-L216 HydrophobicContact CD1-CD2 3.28Å; F169-L216 HydrophobicContact CD2-CD2 4.19Å; F169-L216 HydrophobicContact CE1-CD2 3.39Å; F169-L216 HydrophobicContact CE2-CD2 4.28Å; F169-L216 HydrophobicContact CG-CD2 3.73Å; F169-L216 HydrophobicContact CZ-CD2 3.91Å
170V95.7Very high94.2Very high88 Ų8848.9 Ų48.953%0.53329%0.289SS..EExtended strand (participates in β ladder)trans-99.5-50.6178.1178.90000110.4V215V170-V215 HydrophobicContact CB-CB 4.39Å; V170-V215 HydrophobicContact CB-CG1 4.12Å; V170-V215 WeakPolarHBondContact CB-O 3.09Å; V170-V215 HydrophobicContact CG1-CG1 4.46Å; V170-V215 PolarHBondContact N-O 2.9Å
171A96Very high94.2Very high31 Ų3147.4 Ų47.426%0.25628%0.276SS..EExtended strand (participates in β ladder)trans-155.7148.4-178.400000111.2V215A171-V215 HydrophobicContact CB-CB 4.37Å; A171-V215 PolarHBondContact N-O 3.14Å; A171-V215 PolarHBondContact O-N 3.49Å
172C96.5Very high94.2Very high2 Ų249.4 Ų49.41%0.01429%0.29CS..EExtended strand (participates in β ladder)trans-128.7134.5170.1-66.30000109.3P178 F179 C181 S213C172-P178 WeakPolarHBondContact O-CA 3.4Å; C172-F179 HydrophobicContact CB-CD1 4.16Å; C172-F179 HydrophobicContact CB-CD2 3.91Å; C172-F179 HydrophobicContact CB-CE1 3.8Å; C172-F179 HydrophobicContact CB-CE2 3.51Å; C172-F179 HydrophobicContact CB-CG 4.23Å; C172-F179 HydrophobicContact CB-CZ 3.46Å; C172-F179 VanDerWaalsContact CB-CZ 3.46Å; C172-F179 PolarHBondContact O-N 2.87Å; C172-C181 HydrophobicContact CB-CB 4.17Å; C172-C181 WeakPolarHBondContact CB-SG 3.47Å; C172-C181 PolarHBondContact N-SG 2.8Å; C172-C181 WeakPolarHBondContact SG-CB 3.29Å; C172-C181 CovalentContact SG-SG 2.02Å; C172-C181 PolarHBondContact SG-SG 2.83Å; C172-S213 CarbonylContact C-O 3.59Å; C172-S213 WeakPolarHBondContact CA-O 3.29Å
173H96.1Very high94Very high83 Ų8355.8 Ų55.838%0.38432%0.319SS..EExtended strand (participates in β ladder)trans-125.6137.8175.8-55.988.6000108.9F179 I212 S213H173-F179 VanDerWaalsContact C-CE1 3.46Å; H173-I212 CarbonylContact O-C 3.59Å; H173-I212 WeakPolarHBondContact O-CA 3.28Å; H173-S213 PolarHBondContact N-O 3.18Å; H173-S213 PolarHBondContact O-N 3.32Å
174G94.5Very high93.7Very high15 Ų1562.7 Ų62.716%0.15536%0.356CS..EExtended strand (participates in β ladder)trans-123.5-172.7171.100000110.6N176 G177G174-N176 PolarHBondContact O-N 2.87Å; G174-N176 VanDerWaalsContact O-N 3.14Å; G174-G177 PolarHBondContact N-O 3.34Å; G174-G177 PolarHBondContact O-N 2.76Å
175P92Very high93.5Very high48 Ų4857.7 Ų57.731%0.31234%0.339SS..THydrogen-bonded Turntrans-63.5-24.8-176.3-26.439.6000113.6A201 V202 M210 G211P175-A201 HydrophobicContact CG-CB 4.46Å; P175-V202 WeakPolarHBondContact CG-O 3.36Å; P175-M210 VanDerWaalsContact CG-O 3.29Å; P175-M210 WeakPolarHBondContact CG-O 3.45Å; P175-G211 VanDerWaalsContact CD-O 3.31Å; P175-G211 WeakPolarHBondContact CD-O 3.34Å
176N90.8Very high93.2Very high164 Ų16462.3 Ų62.388%0.87736%0.363SS*.THydrogen-bonded Turntrans-94.910.4178.1-62.5-33.4000113.5G174G174-N176 PolarHBondContact O-N 2.87Å; G174-N176 VanDerWaalsContact O-N 3.14Å
177G92.9Very high93.1Very high28 Ų2861 Ų6129%0.28935%0.354SS..EExtended strand (participates in β ladder)trans104.8-165-177.600000114G174G174-G177 PolarHBondContact N-O 3.34Å; G174-G177 PolarHBondContact O-N 2.76Å
178P94.8Very high92.8Very high107 Ų10761.3 Ų61.370%0.69536%0.356SS*.EExtended strand (participates in β ladder)trans-68.1143.9-177.228.1-33.9000111.9C172C172-P178 WeakPolarHBondContact O-CA 3.4Å
179F93.9Very high92.6Very high69 Ų6962.2 Ų62.230%0.30336%0.361SS..EExtended strand (participates in β ladder)trans-137159.6173.766.9-91.1000111.1C172 H173 C181 V198 I212C172-F179 HydrophobicContact CB-CD1 4.16Å; C172-F179 HydrophobicContact CB-CD2 3.91Å; C172-F179 HydrophobicContact CB-CE1 3.8Å; C172-F179 HydrophobicContact CB-CE2 3.51Å; C172-F179 HydrophobicContact CB-CG 4.23Å; C172-F179 HydrophobicContact CB-CZ 3.46Å; C172-F179 VanDerWaalsContact CB-CZ 3.46Å; C172-F179 PolarHBondContact O-N 2.87Å; H173-F179 VanDerWaalsContact C-CE1 3.46Å; F179-C181 PolarHBondContact O-N 2.87Å; F179-V198 HydrophobicContact CE2-CG1 3.94Å; F179-V198 HydrophobicContact CZ-CG1 4.11Å; F179-I212 HydrophobicContact CE1-CG2 4.22Å; F179-I212 HydrophobicContact CZ-CG2 4.04Å
180S94Very high92.1Very high67 Ų6762 Ų6247%0.46936%0.361SS..  trans-73.8117.3178.4-175.50000110.7C182 E183S180-C182 VanDerWaalsContact C-N 3.29Å; S180-C182 PolarHBondContact O-N 2.75Å; S180-E183 VanDerWaalsContact OG-CB 3.31Å; S180-E183 WeakPolarHBondContact OG-CB 3.31Å; S180-E183 PolarHBondContact OG-N 2.9Å
181C92.7Very high91.5Very high12 Ų1261.1 Ų61.18%0.08136%0.358CS..SBendtrans-64.5-34.3176.1-510000112.7F169 C172 F179 I185F169-C181 HydrophobicContact CB-CB 3.83Å; F169-C181 HydrophobicContact CD1-CB 3.62Å; F169-C181 HydrophobicContact CE1-CB 4.41Å; F169-C181 HydrophobicContact CG-CB 3.88Å; C172-C181 HydrophobicContact CB-CB 4.17Å; C172-C181 WeakPolarHBondContact CB-SG 3.47Å; C172-C181 PolarHBondContact N-SG 2.8Å; C172-C181 WeakPolarHBondContact SG-CB 3.29Å; C172-C181 CovalentContact SG-SG 2.02Å; C172-C181 PolarHBondContact SG-SG 2.83Å; F179-C181 PolarHBondContact O-N 2.87Å; C181-I185 WeakPolarHBondContact O-CD1 3.25Å
182C94.4Very high90.8Very high43 Ų4360.4 Ų60.429%0.29135%0.351SS..SBendtrans-109.4-0.4-164.5-620000114C165 S180 N184 I185C165-C182 HydrophobicContact CB-CB 3.74Å; C165-C182 WeakPolarHBondContact CB-SG 3.3Å; C165-C182 WeakPolarHBondContact SG-CA 3.21Å; C165-C182 WeakPolarHBondContact SG-CB 3.43Å; C165-C182 CovalentContact SG-SG 2.03Å; C165-C182 PolarHBondContact SG-SG 2.81Å; S180-C182 VanDerWaalsContact C-N 3.29Å; S180-C182 PolarHBondContact O-N 2.75Å; C182-N184 PolarHBondContact O-N 3.32Å; C182-I185 HydrophobicContact CB-CG2 4.48Å
183E90.9Very high90.3Very high139 Ų13960.3 Ų60.365%0.6535%0.351SS*.THydrogen-bonded Turntrans-76.3117.1176.9-176.2172.3-168.900109.5S180 I185S180-E183 VanDerWaalsContact OG-CB 3.31Å; S180-E183 WeakPolarHBondContact OG-CB 3.31Å; S180-E183 PolarHBondContact OG-N 2.9Å; E183-I185 PolarHBondContact O-N 3.28Å
184N84.9Confident90.1Very high150 Ų15058.1 Ų58.180%0.80234%0.34SS*.THydrogen-bonded Turntrans53.235.2-176.4-55.5-41.2000113.9C182 D186C182-N184 PolarHBondContact O-N 3.32Å; N184-D186 PolarHBondContact O-N 2.68Å
185I90.3Very high90.1Very high31 Ų3157.4 Ų57.416%0.15933%0.333CS..  trans-71.5125.4177.5-172.6143.5000110.9C165 C181 C182 E183 F196 R197 V198C165-I185 HydrophobicContact CB-CG2 4.07Å; C181-I185 WeakPolarHBondContact O-CD1 3.25Å; C182-I185 HydrophobicContact CB-CG2 4.48Å; E183-I185 PolarHBondContact O-N 3.28Å; I185-F196 HydrophobicContact CD1-CB 3.65Å; I185-F196 HydrophobicContact CG1-CB 4.06Å; I185-F196 HydrophobicContact CG1-CD1 4.49Å; I185-F196 HydrophobicContact CG2-CD1 4.28Å; I185-R197 WeakPolarHBondContact CG1-O 3.21Å; I185-V198 HydrophobicContact CD1-CG2 3.9Å
186D89.5Confident90.2Very high110 Ų11055.4 Ų55.459%0.58832%0.319SS*.EExtended strand (participates in β ladder)trans-69.2135.6169.7-67.3-32.3000109.5N184 R197N184-D186 PolarHBondContact O-N 2.68Å; D186-R197 HydrophobicContact CB-CB 4.24Å; D186-R197 PolarHBondContact O-N 3.35Å
187S90.6Very high90.3Very high53 Ų5348.9 Ų48.937%0.37128%0.282SS..EExtended strand (participates in β ladder)trans-116.4141.4172.763.90000111.5K194 C195S187-K194 VanDerWaalsContact CB-CE 3.47Å; S187-K194 VanDerWaalsContact OG-CE 3.31Å; S187-K194 WeakPolarHBondContact OG-CE 3.42Å; S187-C195 CarbonylContact C-O 3.56Å; S187-C195 WeakPolarHBondContact CA-O 3.37Å; S187-C195 WeakPolarHBondContact CB-O 3.44Å
188V88.4Confident90.4Very high29 Ų2947.5 Ų47.518%0.17627%0.268CS..EExtended strand (participates in β ladder)trans-129.1144178.7-64.60000110.2V86 T190 C195V86-V188 HydrophobicContact CG1-CG2 4.08Å; V188-T190 HydrophobicContact CG2-CG2 4.16Å; V188-C195 HydrophobicContact CG2-CB 4.05Å; V188-C195 PolarHBondContact N-O 2.87Å; V188-C195 PolarHBondContact O-N 3.38Å
189M89.1Confident90.3Very high21 Ų2146 Ų4610%0.10326%0.258CS..EExtended strand (participates in β ladder)trans-86.9134.6174.1-156.263.163.800109.8F115 V158 E159 G193 K194 M309 A311 S312F115-M189 HydrophobicContact CE1-CG 3.8Å; F115-M189 HydrophobicContact CE1-SD 3.62Å; F115-M189 HydrophobicContact CZ-CG 4.49Å; F115-M189 HydrophobicContact CZ-SD 3.94Å; V158-M189 HydrophobicContact CG1-CE 4.32Å; E159-M189 WeakPolarHBondContact OE2-CE 3.11Å; M189-G193 VanDerWaalsContact SD-C 3.5Å; M189-K194 HydrophobicContact CE-CB 4.16Å; M189-K194 HydrophobicContact SD-CB 4.16Å; M189-K194 PolarHBondContact SD-N 3.49Å; M189-M309 HydrophobicContact CE-CE 3.74Å; M189-M309 HydrophobicContact CG-CE 3.79Å; M189-M309 HydrophobicContact CG-CG 4.43Å; M189-M309 WeakPolarHBondContact CG-O 3.38Å; M189-M309 HydrophobicContact SD-CE 4.08Å; M189-A311 CarbonylContact O-C 3.48Å; M189-S312 WeakPolarHBondContact O-CA 3.26Å; M189-S312 PolarHBondContact O-N 2.81Å
190T86.7Confident90.2Very high12 Ų1243 Ų437%0.07425%0.246CC..EExtended strand (participates in β ladder)trans-138-179179.1720000110.3F115 V188 T192 G193 C195 A310F115-T190 VanDerWaalsContact CD1-O 3.3Å; F115-T190 WeakPolarHBondContact CD1-O 3.49Å; V188-T190 HydrophobicContact CG2-CG2 4.16Å; T190-T192 PolarHBondContact O-N 2.62Å; T190-T192 VanDerWaalsContact O-N 3.16Å; T190-T192 PolarHBondContact OG1-N 2.99Å; T190-T192 PolarHBondContact OG1-OG1 3.34Å; T190-G193 PolarHBondContact N-O 2.74Å; T190-G193 PolarHBondContact O-N 2.89Å; T190-G193 PolarHBondContact OG1-O 2.04Å; T190-C195 HydrophobicContact CG2-CB 4.42Å; T190-C195 VanDerWaalsContact CG2-SG 3.53Å; T190-C195 PolarHBondContact OG1-SG 2.85Å; T190-A310 VanDerWaalsContact C-CB 3.4Å; T190-A310 WeakPolarHBondContact O-CB 3.21Å
191S82.7Confident90.1Very high69 Ų6940.8 Ų40.848%0.48323%0.232SC..THydrogen-bonded Turntrans-63.8-18.9177.158.10000113.1R92R92-S191 PolarHBondContact NH2-O 3.38Å
192T81.5Confident90.2Very high17 Ų1742.4 Ų42.410%0.10424%0.242CC..THydrogen-bonded Turntrans-86.8-13.4173.150.80000113.1C88 L90 R92 T190C88-T192 WeakPolarHBondContact CB-OG1 3.49Å; L90-T192 HydrophobicContact CD2-CG2 3.88Å; R92-T192 WeakPolarHBondContact CG-O 3.16Å; T190-T192 PolarHBondContact O-N 2.62Å; T190-T192 VanDerWaalsContact O-N 3.16Å; T190-T192 PolarHBondContact OG1-N 2.99Å; T190-T192 PolarHBondContact OG1-OG1 3.34Å
193G86.6Confident90.1Very high0 Ų040.4 Ų40.40%023%0.228CC..EExtended strand (participates in β ladder)trans118.5-155.4-172.400000112.3M189 T190M189-G193 VanDerWaalsContact SD-C 3.5Å; T190-G193 PolarHBondContact N-O 2.74Å; T190-G193 PolarHBondContact O-N 2.89Å; T190-G193 PolarHBondContact OG1-O 2.04Å
194K91.9Very high90.3Very high37 Ų3738.6 Ų38.616%0.16122%0.22CC..EExtended strand (participates in β ladder)trans-72125176.2-172.5172.3-178.7172.80110.6E159 S187 M189 F196E159-K194 WeakPolarHBondContact OE1-CE 3.42Å; E159-K194 IonicContact OE1-NZ 2.59Å; E159-K194 PolarHBondContact OE1-NZ 2.6Å; E159-K194 IonicContact OE2-NZ 2.72Å; S187-K194 VanDerWaalsContact CB-CE 3.47Å; S187-K194 VanDerWaalsContact OG-CE 3.31Å; S187-K194 WeakPolarHBondContact OG-CE 3.42Å; M189-K194 HydrophobicContact CE-CB 4.16Å; M189-K194 HydrophobicContact SD-CB 4.16Å; M189-K194 PolarHBondContact SD-N 3.49Å; K194-F196 HydrophobicContact CD-CZ 4.38Å; K194-F196 HydrophobicContact CG-CZ 4.35Å
195C93Very high90.7Very high0 Ų034.8 Ų34.80%020%0.202CC..EExtended strand (participates in β ladder)trans-115.5160.7177.5-52.20000110.8V86 I87 C88 S187 V188 T190V86-C195 HydrophobicContact CG1-CB 3.79Å; I87-C195 CarbonylContact O-C 3.52Å; I87-C195 VanDerWaalsContact O-CA 3.25Å; I87-C195 WeakPolarHBondContact O-CA 3.25Å; I87-C195 WeakPolarHBondContact O-CB 3.41Å; C88-C195 HydrophobicContact CB-CB 3.99Å; C88-C195 WeakPolarHBondContact CB-SG 3.48Å; C88-C195 WeakPolarHBondContact SG-CB 3.46Å; C88-C195 CovalentContact SG-SG 2.02Å; C88-C195 PolarHBondContact SG-SG 2.92Å; S187-C195 CarbonylContact C-O 3.56Å; S187-C195 WeakPolarHBondContact CA-O 3.37Å; S187-C195 WeakPolarHBondContact CB-O 3.44Å; V188-C195 HydrophobicContact CG2-CB 4.05Å; V188-C195 PolarHBondContact N-O 2.87Å; V188-C195 PolarHBondContact O-N 3.38Å; T190-C195 HydrophobicContact CG2-CB 4.42Å; T190-C195 VanDerWaalsContact CG2-SG 3.53Å; T190-C195 PolarHBondContact OG1-SG 2.85Å
196F94.5Very high90.8Very high6 Ų636.1 Ų36.13%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-122.8128.7-176.2-59.5-77.3000110V86 I87 L163 C165 I168 F169 I185 K194V86-F196 CarbonylContact C-O 3.03Å; V86-F196 WeakPolarHBondContact CA-O 3.15Å; I87-F196 PolarHBondContact N-O 2.93Å; I87-F196 PolarHBondContact O-N 3.49Å; L163-F196 WeakPolarHBondContact O-CZ 3.38Å; C165-F196 HydrophobicContact CB-CD1 3.79Å; C165-F196 HydrophobicContact CB-CE1 3.69Å; C165-F196 HydrophobicContact CB-CG 4.38Å; C165-F196 HydrophobicContact CB-CZ 4.22Å; I168-F196 HydrophobicContact CD1-CD2 4.25Å; I168-F196 HydrophobicContact CD1-CE2 3.56Å; I168-F196 HydrophobicContact CD1-CZ 4.4Å; F169-F196 HydrophobicContact CE2-CB 3.77Å; F169-F196 AromaticContact CE2-CD2 3.93Å; F169-F196 HydrophobicContact CE2-CD2 3.93Å; F169-F196 AromaticContact CE2-CG 3.98Å; F169-F196 HydrophobicContact CE2-CG 3.98Å; F169-F196 HydrophobicContact CZ-CB 4.02Å; I185-F196 HydrophobicContact CD1-CB 3.65Å; I185-F196 HydrophobicContact CG1-CB 4.06Å; I185-F196 HydrophobicContact CG1-CD1 4.49Å; I185-F196 HydrophobicContact CG2-CD1 4.28Å; K194-F196 HydrophobicContact CD-CZ 4.38Å; K194-F196 HydrophobicContact CG-CZ 4.35Å
197R93.5Very high91Very high26 Ų2631.8 Ų31.810%0.09819%0.194CC..EExtended strand (participates in β ladder)trans-98.8101.5-178.3-178176.3-175.2125.61.5110.3D84 V86 I185 D186 P199 E241 K244D84-R197 HydrophobicContact CB-CG 3.92Å; D84-R197 IonicContact OD2-CZ 3.75Å; D84-R197 IonicContact OD2-NE 2.71Å; D84-R197 PolarHBondContact OD2-NE 3.34Å; D84-R197 IonicContact OD2-NH2 3.96Å; D84-R197 PolarHBondContact OD2-NH2 2.05Å; V86-R197 HydrophobicContact CG2-CB 4.11Å; V86-R197 HydrophobicContact CG2-CG 3.96Å; I185-R197 WeakPolarHBondContact CG1-O 3.21Å; D186-R197 HydrophobicContact CB-CB 4.24Å; D186-R197 PolarHBondContact O-N 3.35Å; R197-P199 WeakPolarHBondContact O-CD 3.27Å; R197-E241 PolarHBondContact NH2-O 3.18Å; R197-K244 PolarHBondContact NH1-O 3.38Å; R197-K244 PolarHBondContact NH2-O 3.44Å
198V94.1Very high91.1Very high0 Ų035.3 Ų35.30%020%0.2CC..EExtended strand (participates in β ladder)trans-80.1122.7174.5-177.30000109D84 V85 I87 F169 F179 I185 I214D84-V198 CarbonylContact C-O 3.58Å; D84-V198 VanDerWaalsContact CA-O 3.31Å; D84-V198 WeakPolarHBondContact CA-O 3.37Å; V85-V198 HydrophobicContact CB-CB 4.46Å; V85-V198 PolarHBondContact N-O 3.34Å; V85-V198 PolarHBondContact O-N 3.29Å; I87-V198 HydrophobicContact CD1-CG2 4.42Å; F169-V198 HydrophobicContact CE1-CG2 3.53Å; F169-V198 HydrophobicContact CZ-CG2 3.81Å; F179-V198 HydrophobicContact CE2-CG1 3.94Å; F179-V198 HydrophobicContact CZ-CG1 4.11Å; I185-V198 HydrophobicContact CD1-CG2 3.9Å; V198-I214 HydrophobicContact CB-CD1 4.21Å; V198-I214 HydrophobicContact CG1-CD1 4.12Å; V198-I214 HydrophobicContact CG2-CD1 4.25Å
199P92.4Very high91.3Very high75 Ų7536.3 Ų36.349%0.48722%0.216SC..PPolyproline II helixtrans-61.7143179.1-24.134.5000113D84 R197D84-P199 WeakPolarHBondContact OD1-CA 3.4Å; R197-P199 WeakPolarHBondContact O-CD 3.27Å
200G92.1Very high91.6Very high5 Ų539 Ų395%0.05223%0.229CC..PPolyproline II helixtrans-71.7144.1174.500000113R81 L82 P83 D84R81-G200 PolarHBondContact NH1-O 3.1Å; L82-G200 WeakPolarHBondContact O-CA 3.35Å; P83-G200 WeakPolarHBondContact O-CA 3.3Å; D84-G200 PolarHBondContact OD1-N 2.94Å
201A92.5Very high92Very high21 Ų2138.6 Ų38.617%0.17423%0.228CC..PPolyproline II helixtrans-99.4159.3178.800000111.8L82 P175 I212L82-A201 PolarHBondContact N-O 3.45Å; P175-A201 HydrophobicContact CG-CB 4.46Å; A201-I212 HydrophobicContact CB-CD1 3.7Å; A201-I212 HydrophobicContact CB-CG1 3.59Å
202V94Very high92.7Very high47 Ų4735.4 Ų35.429%0.28521%0.205SC..EExtended strand (participates in β ladder)trans-84.3119173.3179.30000108.8K79 R81 P175K79-V202 HydrophobicContact CB-CG1 3.85Å; K79-V202 HydrophobicContact CD-CG1 4.32Å; K79-V202 HydrophobicContact CG-CG1 4.47Å; R81-V202 HydrophobicContact CB-CG2 4.43Å; P175-V202 WeakPolarHBondContact CG-O 3.36Å
203Q93.8Very high93.4Very high0 Ų035.4 Ų35.40%021%0.206CC..EExtended strand (participates in β ladder)trans-98.6135.1174176169.9-11.800108.9A80 V205 M210 F398 M401A80-Q203 PolarHBondContact N-O 2.95Å; A80-Q203 PolarHBondContact O-N 2.87Å; Q203-V205 WeakPolarHBondContact CG-O 3.22Å; Q203-V205 PolarHBondContact NE2-O 3.1Å; Q203-M210 VanDerWaalsContact CG-O 3.28Å; Q203-M210 WeakPolarHBondContact CG-O 3.47Å; Q203-F398 HydrophobicContact CB-CD2 4.42Å; Q203-F398 PolarHBondContact NE2-O 3.03Å; Q203-M401 HydrophobicContact CG-SD 4.05Å; Q203-M401 WeakPolarHBondContact O-CE 3.29Å
204E93.6Very high93.9Very high101 Ų10135.5 Ų35.547%0.47221%0.206SC..  trans-111.9-18.3-179.9-53.3-167.6158.400112.3D78 K79D78-E204 WeakPolarHBondContact O-CA 3.42Å; K79-E204 HydrophobicContact CD-CG 4.39Å; K79-E204 WeakPolarHBondContact CD-OE1 3.29Å; K79-E204 WeakPolarHBondContact CE-OE1 3.47Å; K79-E204 HydrophobicContact CG-CG 4.12Å; K79-E204 IonicContact NZ-OE1 3.84Å; K79-E204 PolarHBondContact NZ-OE1 3.17Å
205V93Very high94.2Very high70 Ų7035.1 Ų35.142%0.42421%0.207SC..SBendtrans-129.1136.3-177.3-178.90000108.3Q203 M210Q203-V205 WeakPolarHBondContact CG-O 3.22Å; Q203-V205 PolarHBondContact NE2-O 3.1Å; V205-M210 HydrophobicContact CB-CB 4.37Å; V205-M210 HydrophobicContact CB-CE 3.59Å; V205-M210 HydrophobicContact CB-CG 4.13Å; V205-M210 HydrophobicContact CG1-CE 4Å; V205-M210 HydrophobicContact CG1-CG 4.08Å; V205-M210 HydrophobicContact CG2-CE 3.88Å; V205-M210 WeakPolarHBondContact O-CB 3.33Å
206P93.9Very high94.4Very high60 Ų6035.1 Ų35.139%0.3921%0.207SC..  trans-72.4161.1179.528.4-29.2000112.1M401P206-M401 HydrophobicContact CB-CG 3.89Å; P206-M401 VanDerWaalsContact CD-CG 3.45Å; P206-M401 HydrophobicContact CG-CG 3.97Å
207G93Very high94.4Very high19 Ų1935.5 Ų35.520%0.19621%0.211CC..SBendtrans100.1177.9166.200000116.2M210 Y397 F398G207-M210 PolarHBondContact O-N 3.16Å; G207-Y397 WeakPolarHBondContact O-CB 3.47Å; G207-Y397 VanDerWaalsContact O-CD2 3.3Å; G207-Y397 WeakPolarHBondContact O-CD2 3.46Å; G207-F398 PolarHBondContact N-O 3.4Å
208Y93.7Very high94.4Very high127 Ų12734.3 Ų34.350%0.49821%0.206SC..THydrogen-bonded Turntrans-61137.1-174.5177.5-103000111.9M210 H258 L260 E395 Y397Y208-M210 PolarHBondContact O-N 3.44Å; Y208-H258 PolarHBondContact OH-CE1 3.26Å; Y208-L260 HydrophobicContact CD2-CD2 3.85Å; Y208-L260 HydrophobicContact CE2-CD2 3.43Å; Y208-L260 VanDerWaalsContact CE2-CD2 3.43Å; Y208-E395 HydrophobicContact CE2-CB 4.06Å; Y208-E395 HydrophobicContact CE2-CG 3.79Å; Y208-Y397 AromaticContact CD2-CE1 3.9Å; Y208-Y397 HydrophobicContact CD2-CE1 3.9Å
209G92.5Very high94.3Very high50 Ų5034.9 Ų34.952%0.51521%0.21SC..THydrogen-bonded Turntrans79.4-9.4-178.500000115.1
210M94.8Very high94.2Very high77 Ų7734.1 Ų34.138%0.37920%0.199SC..SBendtrans-95.70.8179.2-54.7-52-69.100113.6P175 Q203 V205 G207 Y208P175-M210 VanDerWaalsContact CG-O 3.29Å; P175-M210 WeakPolarHBondContact CG-O 3.45Å; Q203-M210 VanDerWaalsContact CG-O 3.28Å; Q203-M210 WeakPolarHBondContact CG-O 3.47Å; V205-M210 HydrophobicContact CB-CB 4.37Å; V205-M210 HydrophobicContact CB-CE 3.59Å; V205-M210 HydrophobicContact CB-CG 4.13Å; V205-M210 HydrophobicContact CG1-CE 4Å; V205-M210 HydrophobicContact CG1-CG 4.08Å; V205-M210 HydrophobicContact CG2-CE 3.88Å; V205-M210 WeakPolarHBondContact O-CB 3.33Å; G207-M210 PolarHBondContact O-N 3.16Å; Y208-M210 PolarHBondContact O-N 3.44Å
211G95.6Very high94Very high4 Ų440.6 Ų40.64%0.04123%0.228CC..SBendtrans-106.6-133.7179.300000113.1P175 L396P175-G211 VanDerWaalsContact CD-O 3.31Å; P175-G211 WeakPolarHBondContact CD-O 3.34Å; G211-L396 CarbonylContact C-O 3.57Å; G211-L396 WeakPolarHBondContact CA-O 3.26Å
212I96.1Very high93.9Very high1 Ų139.9 Ų39.91%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-109.1132.5175.5-62.3165.1000109.7L82 H173 F179 A201 I214 L396L82-I212 HydrophobicContact CB-CD1 4.27Å; L82-I212 HydrophobicContact CD1-CB 4.38Å; L82-I212 HydrophobicContact CD1-CD1 3.95Å; L82-I212 HydrophobicContact CD1-CG1 3.77Å; H173-I212 CarbonylContact O-C 3.59Å; H173-I212 WeakPolarHBondContact O-CA 3.28Å; F179-I212 HydrophobicContact CE1-CG2 4.22Å; F179-I212 HydrophobicContact CZ-CG2 4.04Å; A201-I212 HydrophobicContact CB-CD1 3.7Å; A201-I212 HydrophobicContact CB-CG1 3.59Å; I212-I214 HydrophobicContact CG2-CD1 4.17Å; I212-I214 HydrophobicContact CG2-CG1 3.7Å; I212-L396 PolarHBondContact N-O 3.31Å; I212-L396 PolarHBondContact O-N 2.75Å
213S97.3Very high93.6Very high17 Ų1739.4 Ų39.412%0.11921%0.214CC..EExtended strand (participates in β ladder)trans-110.9123.9169.1-177.50000109.8C172 H173 V394 E395C172-S213 CarbonylContact C-O 3.59Å; C172-S213 WeakPolarHBondContact CA-O 3.29Å; H173-S213 PolarHBondContact N-O 3.18Å; H173-S213 PolarHBondContact O-N 3.32Å; S213-V394 CarbonylContact C-O 3.49Å; S213-V394 WeakPolarHBondContact CA-O 3.36Å; S213-E395 WeakPolarHBondContact CB-OE1 3.36Å; S213-E395 WeakPolarHBondContact CB-OE2 3.42Å; S213-E395 VanDerWaalsContact OG-CD 3.31Å; S213-E395 PolarHBondContact OG-OE1 3.27Å
214I97.4Very high93.1Very high2 Ų239.5 Ų39.51%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-118.9120.2179.2-52.6177.3000108.4V85 I87 F169 V198 I212 L216 V394V85-I214 HydrophobicContact CB-CD1 4.12Å; V85-I214 HydrophobicContact CG1-CD1 4.23Å; V85-I214 HydrophobicContact CG2-CD1 4.27Å; I87-I214 HydrophobicContact CD1-CD1 3.85Å; I87-I214 HydrophobicContact CD1-CG2 3.94Å; F169-I214 HydrophobicContact CD1-CG2 3.84Å; F169-I214 HydrophobicContact CE1-CG2 3.7Å; V198-I214 HydrophobicContact CB-CD1 4.21Å; V198-I214 HydrophobicContact CG1-CD1 4.12Å; V198-I214 HydrophobicContact CG2-CD1 4.25Å; I212-I214 HydrophobicContact CG2-CD1 4.17Å; I212-I214 HydrophobicContact CG2-CG1 3.7Å; I214-L216 HydrophobicContact CG2-CD2 3.63Å; I214-L216 HydrophobicContact CG2-CG 4.1Å; I214-V394 HydrophobicContact CB-CB 4.37Å; I214-V394 PolarHBondContact N-O 3.29Å; I214-V394 PolarHBondContact O-N 3.33Å
215V97.3Very high92.3Very high29 Ų2940.3 Ų40.318%0.17622%0.222CC..EExtended strand (participates in β ladder)trans-105.4120.7175.9-173.10000109V170 A171 T391 I393V170-V215 HydrophobicContact CB-CB 4.39Å; V170-V215 HydrophobicContact CB-CG1 4.12Å; V170-V215 WeakPolarHBondContact CB-O 3.09Å; V170-V215 HydrophobicContact CG1-CG1 4.46Å; V170-V215 PolarHBondContact N-O 2.9Å; A171-V215 HydrophobicContact CB-CB 4.37Å; A171-V215 PolarHBondContact N-O 3.14Å; A171-V215 PolarHBondContact O-N 3.49Å; V215-T391 HydrophobicContact CG1-CG2 3.84Å; V215-I393 HydrophobicContact CG1-CG1 4.45Å; V215-I393 HydrophobicContact CG2-CG1 4.47Å
216L96.9Very high91.4Very high0 Ų037 Ų370%020%0.202CC..EExtended strand (participates in β ladder)trans-115.3147.4178.4-48.4170.8000108.9I87 I168 F169 I214 I235 T391 I392I87-L216 HydrophobicContact CD1-CD1 4.21Å; I87-L216 HydrophobicContact CD1-CD2 4.3Å; I87-L216 HydrophobicContact CG2-CD1 3.82Å; I168-L216 HydrophobicContact CG2-CB 4.39Å; I168-L216 HydrophobicContact CG2-CD2 4.17Å; I168-L216 CarbonylContact O-C 3.56Å; I168-L216 VanDerWaalsContact O-CA 3.29Å; I168-L216 WeakPolarHBondContact O-CA 3.17Å; F169-L216 HydrophobicContact CB-CD2 4.45Å; F169-L216 HydrophobicContact CD1-CD2 3.28Å; F169-L216 HydrophobicContact CD2-CD2 4.19Å; F169-L216 HydrophobicContact CE1-CD2 3.39Å; F169-L216 HydrophobicContact CE2-CD2 4.28Å; F169-L216 HydrophobicContact CG-CD2 3.73Å; F169-L216 HydrophobicContact CZ-CD2 3.91Å; I214-L216 HydrophobicContact CG2-CD2 3.63Å; I214-L216 HydrophobicContact CG2-CG 4.1Å; L216-I235 HydrophobicContact CD1-CD1 3.63Å; L216-I235 HydrophobicContact CD1-CG2 4.25Å; L216-T391 CarbonylContact O-C 3.58Å; L216-T391 WeakPolarHBondContact O-CA 3.45Å; L216-T391 WeakPolarHBondContact O-CG2 3.26Å; L216-I392 HydrophobicContact CB-CB 4.39Å; L216-I392 PolarHBondContact N-O 3.1Å; L216-I392 PolarHBondContact O-N 3.31Å
217S95.2Very high90.1Very high15 Ų1534.3 Ų34.311%0.10518%0.184CC..EExtended strand (participates in β ladder)trans-127.8104.1170.1162.50000108.1I168 P219I168-S217 PolarHBondContact O-N 2.91Å; S217-P219 VanDerWaalsContact O-CD 3.31Å; S217-P219 WeakPolarHBondContact O-CD 3.16Å
218L93.9Very high88.8Confident1 Ų135.3 Ų35.31%0.00519%0.185CC..  trans-65.9119.5-177.1-61.9-171.3000110.8I168 K220 Y223 I235 N390 I392I168-L218 HydrophobicContact CG2-CD2 4.33Å; L218-K220 HydrophobicContact CB-CG 4.43Å; L218-K220 PolarHBondContact O-N 3.22Å; L218-Y223 WeakPolarHBondContact CB-OH 3.07Å; L218-I235 HydrophobicContact CD1-CG2 4.46Å; L218-I235 HydrophobicContact CD2-CG2 3.77Å; L218-N390 HydrophobicContact CB-CB 4.37Å; L218-N390 PolarHBondContact N-O 3.28Å; L218-N390 WeakPolarHBondContact O-CB 3.36Å; L218-N390 PolarHBondContact O-ND2 3.01Å; L218-I392 HydrophobicContact CD1-CD1 3.87Å; L218-I392 HydrophobicContact CG-CD1 4.19Å
219P91.9Very high87.5Confident11 Ų1130.7 Ų30.77%0.07117%0.169CC..  trans-82.268.9-175.535.6-38000110.2L163 D167 S217 H221 L222 Y223L163-P219 HydrophobicContact CD1-CG 4.45Å; L163-P219 HydrophobicContact CD2-CG 4.18Å; D167-P219 HydrophobicContact CB-CG 4.41Å; D167-P219 WeakPolarHBondContact O-CD 3.44Å; D167-P219 WeakPolarHBondContact O-CG 3.45Å; S217-P219 VanDerWaalsContact O-CD 3.31Å; S217-P219 WeakPolarHBondContact O-CD 3.16Å; P219-H221 PolarHBondContact O-N 3.49Å; P219-L222 HydrophobicContact CB-CB 4.32Å; P219-L222 HydrophobicContact CB-CD1 3.7Å; P219-L222 HydrophobicContact CB-CG 3.93Å; P219-L222 HydrophobicContact CG-CB 4.47Å; P219-L222 HydrophobicContact CG-CD1 4.02Å; P219-L222 HydrophobicContact CG-CG 4.48Å; P219-L222 WeakPolarHBondContact O-CA 3.41Å; P219-L222 VanDerWaalsContact O-CB 3.29Å; P219-L222 WeakPolarHBondContact O-CB 3.21Å; P219-L222 PolarHBondContact O-N 3.18Å; P219-Y223 HydrophobicContact CG-CE1 4.16Å; P219-Y223 WeakPolarHBondContact O-CD1 3.38Å
220K88.8Confident86.4Confident59 Ų5931.9 Ų31.926%0.25716%0.16SC..G310 helixtrans-57.2-27.4-172.7-62.7-170.4-172.9171.50114.3L218 L222 Y223 D233 S255 N390L218-K220 HydrophobicContact CB-CG 4.43Å; L218-K220 PolarHBondContact O-N 3.22Å; K220-L222 PolarHBondContact O-N 2.68Å; K220-Y223 HydrophobicContact CG-CD2 4.44Å; K220-Y223 HydrophobicContact CG-CE2 4.3Å; K220-Y223 WeakPolarHBondContact O-CB 3.26Å; K220-Y223 PolarHBondContact O-N 3.46Å; K220-Y223 VanDerWaalsContact O-N 3.1Å; K220-D233 WeakPolarHBondContact CE-OD1 3.28Å; K220-D233 WeakPolarHBondContact CE-OD2 3.02Å; K220-D233 IonicContact NZ-OD1 3.52Å; K220-D233 PolarHBondContact NZ-OD1 3Å; K220-D233 IonicContact NZ-OD2 3.96Å; K220-D233 PolarHBondContact NZ-OD2 2.73Å; K220-S255 PolarHBondContact NZ-OG 3.05Å; K220-N390 WeakPolarHBondContact CD-OD1 2.95Å; K220-N390 VanDerWaalsContact CE-CG 3.48Å; K220-N390 WeakPolarHBondContact CE-OD1 2.98Å; K220-N390 PolarHBondContact NZ-OD1 2.71Å
221H87.9Confident84.9Confident142 Ų14231.8 Ų31.866%0.65716%0.161SC*.G310 helixtrans-66.4-16.8174.168.2-82.1000113.5Q95 P219Q95-H221 PolarHBondContact OE1-O 3.3Å; P219-H221 PolarHBondContact O-N 3.49Å
222L90.3Very high83.7Confident6 Ų634.5 Ų34.53%0.03118%0.179CC..G310 helixtrans-95.9-1.8174.4-54.4-175.5000112.7Q95 R96 L163 P219 K220Q95-L222 VanDerWaalsContact CB-O 3.24Å; Q95-L222 WeakPolarHBondContact CB-O 3.18Å; Q95-L222 PolarHBondContact N-O 3.45Å; R96-L222 VanDerWaalsContact CD-CD2 3.4Å; R96-L222 HydrophobicContact CG-CD2 3.51Å; L163-L222 HydrophobicContact CD2-CB 4.13Å; L163-L222 HydrophobicContact CD2-CD1 4.17Å; P219-L222 HydrophobicContact CB-CB 4.32Å; P219-L222 HydrophobicContact CB-CD1 3.7Å; P219-L222 HydrophobicContact CB-CG 3.93Å; P219-L222 HydrophobicContact CG-CB 4.47Å; P219-L222 HydrophobicContact CG-CD1 4.02Å; P219-L222 HydrophobicContact CG-CG 4.48Å; P219-L222 WeakPolarHBondContact O-CA 3.41Å; P219-L222 VanDerWaalsContact O-CB 3.29Å; P219-L222 WeakPolarHBondContact O-CB 3.21Å; P219-L222 PolarHBondContact O-N 3.18Å; K220-L222 PolarHBondContact O-N 2.68Å
223Y88.2Confident83.1Confident36 Ų3637.9 Ų37.914%0.14120%0.198CC..BIsolated β-bridgetrans-75.5136.9-174.5-74.39.2000110.7N91 L163 L218 P219 K220N91-Y223 HydrophobicContact CB-CD1 3.63Å; N91-Y223 HydrophobicContact CB-CD2 3.43Å; N91-Y223 VanDerWaalsContact CB-CD2 3.43Å; N91-Y223 HydrophobicContact CB-CE1 3.73Å; N91-Y223 HydrophobicContact CB-CE2 3.54Å; N91-Y223 HydrophobicContact CB-CG 3.45Å; N91-Y223 VanDerWaalsContact CB-CG 3.45Å; N91-Y223 VanDerWaalsContact CG-CD1 3.49Å; N91-Y223 VanDerWaalsContact ND2-CD1 3.26Å; N91-Y223 WeakPolarHBondContact ND2-CD1 3.32Å; L163-Y223 HydrophobicContact CD1-CD1 4.3Å; L163-Y223 HydrophobicContact CD1-CE1 3.78Å; L218-Y223 WeakPolarHBondContact CB-OH 3.07Å; P219-Y223 HydrophobicContact CG-CE1 4.16Å; P219-Y223 WeakPolarHBondContact O-CD1 3.38Å; K220-Y223 HydrophobicContact CG-CD2 4.44Å; K220-Y223 HydrophobicContact CG-CE2 4.3Å; K220-Y223 WeakPolarHBondContact O-CB 3.26Å; K220-Y223 PolarHBondContact O-N 3.46Å; K220-Y223 VanDerWaalsContact O-N 3.1Å
224S83.6Confident82.9Confident2 Ų237.1 Ų37.11%0.01419%0.192CC..PPolyproline II helixtrans-81.1124.4168.2178.70000107.3N91 A226 N229N91-S224 PolarHBondContact OD1-N 2.78Å; N91-S224 PolarHBondContact OD1-O 2.9Å; N91-S224 VanDerWaalsContact OD1-O 3.12Å; S224-A226 PolarHBondContact O-N 2.87Å; S224-N229 PolarHBondContact O-ND2 2.85Å
225L77.3Confident82.7Confident119 Ų11937 Ų3762%0.62319%0.192SC*.PPolyproline II helixtrans-59.3133.7170.8-67.1172.9000107.7H109H109-L225 PolarHBondContact CD2-O 3.28Å; H109-L225 PolarHBondContact NE2-O 2.82Å
226A73.4Confident82.4Confident0 Ų035.7 Ų35.70%018%0.184CC..  trans-161.6150.6179.300000110.9Q112 S224 N228 N229 F230Q112-A226 VanDerWaalsContact CD-CB 3.47Å; S224-A226 PolarHBondContact O-N 2.87Å; A226-N228 WeakPolarHBondContact CB-OD1 3.44Å; A226-N228 PolarHBondContact O-N 2.92Å; A226-N228 VanDerWaalsContact O-N 3.16Å; A226-N229 WeakPolarHBondContact O-CB 3.01Å; A226-N229 PolarHBondContact O-N 3.07Å; A226-F230 VanDerWaalsContact O-CD1 3.3Å; A226-F230 WeakPolarHBondContact O-CD1 3.44Å; A226-F230 WeakPolarHBondContact O-CE1 3.09Å; A226-F230 PolarHBondContact O-N 2.91Å
227P67.6Low82.3Confident4 Ų435.7 Ų35.73%0.02618%0.184CC..G310 helixtrans-55.2-36.1-179.1-21.728.2000114.2F127 M128 I132 N229 F230F127-P227 HydrophobicContact CD1-CB 4.48Å; F127-P227 HydrophobicContact CD1-CG 3.88Å; F127-P227 HydrophobicContact CE1-CG 3.87Å; M128-P227 HydrophobicContact CE-CB 4.12Å; M128-P227 HydrophobicContact CE-CG 4.46Å; I132-P227 HydrophobicContact CD1-CG 3.51Å; P227-N229 VanDerWaalsContact C-N 3.3Å; P227-N229 PolarHBondContact O-N 3.07Å; P227-F230 HydrophobicContact CB-CD2 4.49Å; P227-F230 WeakPolarHBondContact O-CB 3.33Å; P227-F230 PolarHBondContact O-N 2.64Å
228N64Low82.1Confident40 Ų4036.4 Ų36.421%0.21419%0.185CC..G310 helixtrans-65.1-32.7176.449-57.3000112.5R92 Q112 A226 F230R92-N228 PolarHBondContact NE-ND2 2.8Å; R92-N228 PolarHBondContact NH1-ND2 3.28Å; Q112-N228 PolarHBondContact OE1-ND2 2.94Å; Q112-N228 PolarHBondContact OE1-OD1 3.46Å; Q112-N228 VanDerWaalsContact OE1-OD1 3.09Å; A226-N228 WeakPolarHBondContact CB-OD1 3.44Å; A226-N228 PolarHBondContact O-N 2.92Å; A226-N228 VanDerWaalsContact O-N 3.16Å; N228-F230 VanDerWaalsContact C-N 3.27Å; N228-F230 PolarHBondContact O-N 2.82Å
229N67.9Low82Confident29 Ų2937.3 Ų37.316%0.15519%0.19CC..G310 helixtrans-80.3-10.2-179.4-58.8-17.2000112.3L90 N91 S224 A226 P227 N231L90-N229 PolarHBondContact O-OD1 2.88Å; N91-N229 WeakPolarHBondContact CA-OD1 3.21Å; N91-N229 PolarHBondContact OD1-ND2 2.78Å; S224-N229 PolarHBondContact O-ND2 2.85Å; A226-N229 WeakPolarHBondContact O-CB 3.01Å; A226-N229 PolarHBondContact O-N 3.07Å; P227-N229 VanDerWaalsContact C-N 3.3Å; P227-N229 PolarHBondContact O-N 3.07Å; N229-N231 VanDerWaalsContact C-N 3.28Å
230F69.8Low81.9Confident75 Ų7537 Ų3733%0.32919%0.188SC..G310 helixtrans-76.6-18.4175.1-56.8-20.9000112.9M124 F127 A226 P227 N228M124-F230 HydrophobicContact CG-CB 4.33Å; M124-F230 HydrophobicContact CG-CD2 4.45Å; M124-F230 HydrophobicContact SD-CB 4.28Å; F127-F230 AromaticContact CD1-CE2 3.6Å; F127-F230 HydrophobicContact CD1-CE2 3.6Å; F127-F230 HydrophobicContact CD1-CZ 4.3Å; F127-F230 HydrophobicContact CD2-CE2 4.03Å; F127-F230 HydrophobicContact CD2-CZ 4.47Å; F127-F230 AromaticContact CE1-CE2 3.65Å; F127-F230 HydrophobicContact CE1-CE2 3.65Å; F127-F230 AromaticContact CE1-CZ 3.89Å; F127-F230 HydrophobicContact CE1-CZ 3.89Å; F127-F230 HydrophobicContact CE2-CE2 4.07Å; F127-F230 HydrophobicContact CE2-CZ 4.07Å; F127-F230 AromaticContact CG-CE2 3.8Å; F127-F230 HydrophobicContact CG-CE2 3.8Å; F127-F230 AromaticContact CZ-CE2 3.88Å; F127-F230 HydrophobicContact CZ-CE2 3.88Å; F127-F230 AromaticContact CZ-CZ 3.76Å; F127-F230 HydrophobicContact CZ-CZ 3.76Å; A226-F230 VanDerWaalsContact O-CD1 3.3Å; A226-F230 WeakPolarHBondContact O-CD1 3.44Å; A226-F230 WeakPolarHBondContact O-CE1 3.09Å; A226-F230 PolarHBondContact O-N 2.91Å; P227-F230 HydrophobicContact CB-CD2 4.49Å; P227-F230 WeakPolarHBondContact O-CB 3.33Å; P227-F230 PolarHBondContact O-N 2.64Å; N228-F230 VanDerWaalsContact C-N 3.27Å; N228-F230 PolarHBondContact O-N 2.82Å
231N63.2Low81.9Confident76 Ų7636.3 Ų36.341%0.40619%0.186SC..SBendtrans-72.6-34.4-175.6-84.6-46.2000113A118 M124 N229A118-N231 PolarHBondContact O-ND2 3.32Å; M124-N231 WeakPolarHBondContact CE-OD1 3.04Å; M124-N231 VanDerWaalsContact SD-CG 3.53Å; M124-N231 PolarHBondContact SD-OD1 2.75Å; N229-N231 VanDerWaalsContact C-N 3.28Å
232S70.2Confident81.8Confident60 Ų6034.2 Ų34.242%0.4218%0.176SC..  trans-166.1140.8-169-69.30000110.3L90L90-S232 VanDerWaalsContact CD1-CB 3.47Å
233D84Confident81.2Confident73 Ų7337.4 Ų37.439%0.3920%0.199SC..SBendtrans-108.8119.6173.1-176.66.4000108.2K220 P254 S255K220-D233 WeakPolarHBondContact CE-OD1 3.28Å; K220-D233 WeakPolarHBondContact CE-OD2 3.02Å; K220-D233 IonicContact NZ-OD1 3.52Å; K220-D233 PolarHBondContact NZ-OD1 3Å; K220-D233 IonicContact NZ-OD2 3.96Å; K220-D233 PolarHBondContact NZ-OD2 2.73Å; D233-P254 VanDerWaalsContact O-CA 3.27Å; D233-P254 WeakPolarHBondContact O-CA 3.46Å; D233-S255 PolarHBondContact O-N 2.86Å; D233-S255 VanDerWaalsContact O-N 3.1Å; D233-S255 PolarHBondContact OD2-OG 3.44Å; D233-S255 VanDerWaalsContact OD2-OG 3.11Å
234G91.9Very high81Confident1 Ų137.1 Ų37.11%0.0120%0.199CC..EExtended strand (participates in β ladder)trans147.6-151.5-171.500000113.8L90 I253L90-G234 WeakPolarHBondContact CG-O 3.48Å; L90-G234 PolarHBondContact N-O 3.42Å; G234-I253 CarbonylContact C-O 3.55Å; G234-I253 WeakPolarHBondContact CA-O 3.2Å
235I93.5Very high80.9Confident0 Ų037.9 Ų37.90%021%0.207CC..EExtended strand (participates in β ladder)trans-126.6153.9177.861.4165.2000111.3I87 C88 L216 L218 F252 I253 I392 V394I87-I235 HydrophobicContact CG2-CB 4.36Å; I87-I235 HydrophobicContact CG2-CD1 3.93Å; I87-I235 HydrophobicContact CG2-CG2 4.24Å; C88-I235 CarbonylContact O-C 3.57Å; C88-I235 VanDerWaalsContact O-CA 3.28Å; C88-I235 WeakPolarHBondContact O-CA 3.45Å; L216-I235 HydrophobicContact CD1-CD1 3.63Å; L216-I235 HydrophobicContact CD1-CG2 4.25Å; L218-I235 HydrophobicContact CD1-CG2 4.46Å; L218-I235 HydrophobicContact CD2-CG2 3.77Å; I235-F252 WeakPolarHBondContact O-CA 3.19Å; I235-I253 HydrophobicContact CD1-CB 4.34Å; I235-I253 HydrophobicContact CD1-CD1 4.34Å; I235-I253 HydrophobicContact CG1-CB 3.86Å; I235-I253 PolarHBondContact N-O 3.23Å; I235-I253 PolarHBondContact O-N 2.73Å; I235-I392 HydrophobicContact CG1-CD1 4.04Å; I235-I392 HydrophobicContact CG2-CD1 4.04Å; I235-V394 HydrophobicContact CD1-CG2 4.4Å
236G91.9Very high80.9Confident0 Ų032.5 Ų32.50%018%0.179CC..EExtended strand (participates in β ladder)trans-87.4139.4153.600000110C88 M251C88-G236 PolarHBondContact N-O 3.36Å; C88-G236 PolarHBondContact O-N 2.84Å; G236-M251 CarbonylContact C-O 3.54Å; G236-M251 WeakPolarHBondContact CA-O 3.27Å
237L93.5Very high81Confident0 Ų036.2 Ų36.20%020%0.198CC..EExtended strand (participates in β ladder)trans-127.5133.6175.9-173.2151.5000109.6V85 V86 I87 L239 M251 I253 L261 V394V85-L237 HydrophobicContact CG1-CD1 3.68Å; V85-L237 HydrophobicContact CG1-CD2 4.09Å; V85-L237 HydrophobicContact CG1-CG 3.77Å; V86-L237 CarbonylContact O-C 3.52Å; V86-L237 WeakPolarHBondContact O-CA 3.16Å; I87-L237 HydrophobicContact CG1-CD1 4.47Å; L237-L239 HydrophobicContact CD2-CD2 3.84Å; L237-L239 HydrophobicContact CD2-CG 4.3Å; L237-M251 HydrophobicContact CD2-CE 3.41Å; L237-M251 VanDerWaalsContact CD2-CE 3.41Å; L237-M251 PolarHBondContact N-O 3.42Å; L237-M251 PolarHBondContact O-N 3.48Å; L237-I253 HydrophobicContact CB-CD1 4.24Å; L237-I253 HydrophobicContact CD1-CD1 3.82Å; L237-L261 HydrophobicContact CD1-CD2 4.31Å; L237-L261 HydrophobicContact CD2-CD2 3.79Å; L237-V394 HydrophobicContact CD1-CG1 3.69Å; L237-V394 HydrophobicContact CD1-CG2 4.37Å
238K91.8Very high81.1Confident31 Ų3141.9 Ų41.914%0.13522%0.22CC..EExtended strand (participates in β ladder)trans-129.1152.8173.1-47.4-168.7155.6-164.60110.5V86 V246 D247 D249 L250V86-K238 HydrophobicContact CB-CB 4.2Å; V86-K238 PolarHBondContact N-O 2.58Å; V86-K238 PolarHBondContact O-N 2.84Å; K238-V246 HydrophobicContact CB-CG1 3.88Å; K238-V246 HydrophobicContact CD-CG1 3.29Å; K238-V246 HydrophobicContact CG-CG1 4.23Å; K238-D247 PolarHBondContact NZ-O 3.4Å; K238-D249 WeakPolarHBondContact CB-O 3.15Å; K238-D249 WeakPolarHBondContact CD-O 3.43Å; K238-D249 WeakPolarHBondContact CG-O 3.43Å; K238-L250 HydrophobicContact CD-CD1 4.44Å; K238-L250 HydrophobicContact CG-CD1 3.89Å
239L92.1Very high81.5Confident20 Ų2044.6 Ų44.611%0.10524%0.235CC..EExtended strand (participates in β ladder)trans-109.1139.2174.9-56.7178.7000108.9P83 D84 V85 L237 M251 L263 P363 L396P83-L239 HydrophobicContact CB-CB 4.2Å; P83-L239 HydrophobicContact CG-CB 4.14Å; P83-L239 HydrophobicContact CG-CD1 4.27Å; P83-L239 HydrophobicContact CG-CD2 4.13Å; P83-L239 HydrophobicContact CG-CG 4.41Å; D84-L239 WeakPolarHBondContact O-CA 3.39Å; V85-L239 HydrophobicContact CG1-CD2 4.46Å; V85-L239 HydrophobicContact CG2-CD2 4.33Å; L237-L239 HydrophobicContact CD2-CD2 3.84Å; L237-L239 HydrophobicContact CD2-CG 4.3Å; L239-M251 HydrophobicContact CD1-CE 4.25Å; L239-M251 HydrophobicContact CG-CE 4.08Å; L239-L263 HydrophobicContact CD1-CD2 3.68Å; L239-P363 HydrophobicContact CD1-CB 4.08Å; L239-P363 HydrophobicContact CD1-CG 3.98Å; L239-L396 HydrophobicContact CD1-CD1 4.42Å; L239-L396 HydrophobicContact CD2-CD1 4.03Å; L239-L396 HydrophobicContact CD2-CD2 4.13Å
240A89.4Confident82.2Confident5 Ų546.1 Ų46.14%0.04124%0.242CC..EExtended strand (participates in β ladder)trans-140.1138.3177.200000110.7P83 D84P83-A240 WeakPolarHBondContact CB-O 3.4Å; D84-A240 PolarHBondContact N-O 3.24Å; D84-A240 PolarHBondContact O-N 2.84Å
241E89Confident83.2Confident43 Ų4343.9 Ų43.920%0.20123%0.233CC..  trans-66.1144.9170.5-172.9170.3-157.300109.7R197 S243 K244 T359 Y361R197-E241 PolarHBondContact NH2-O 3.18Å; E241-S243 PolarHBondContact O-N 3Å; E241-K244 HydrophobicContact CB-CB 4.35Å; E241-K244 HydrophobicContact CB-CD 4.08Å; E241-K244 HydrophobicContact CB-CG 4.41Å; E241-K244 HydrophobicContact CG-CD 4.23Å; E241-K244 PolarHBondContact O-N 2.73Å; E241-K244 VanDerWaalsContact O-N 3.07Å; E241-K244 IonicContact OE1-NZ 3.37Å; E241-K244 VanDerWaalsContact OE2-CD 3.3Å; E241-K244 WeakPolarHBondContact OE2-CD 3.33Å; E241-K244 VanDerWaalsContact OE2-CE 3.29Å; E241-K244 WeakPolarHBondContact OE2-CE 3.42Å; E241-K244 IonicContact OE2-NZ 3.04Å; E241-K244 PolarHBondContact OE2-NZ 3.14Å; E241-T359 WeakPolarHBondContact OE1-CB 3.06Å; E241-T359 PolarHBondContact OE1-OG1 3.28Å; E241-T359 PolarHBondContact OE2-N 3.48Å; E241-Y361 HydrophobicContact CB-CE2 4.17Å
242Q84.8Confident84.6Confident99 Ų9945.3 Ų45.346%0.46324%0.236SC..THydrogen-bonded Turntrans-54.7138.3-178.9-169.1178.116.200110.9K244Q242-K244 PolarHBondContact O-N 2.9Å
243S78.3Confident85.8Confident72 Ų7242.6 Ų42.650%0.50322%0.217SC..THydrogen-bonded Turntrans62.68.5-178.7-49.90000115.4E241 G285E241-S243 PolarHBondContact O-N 3Å; S243-G285 PolarHBondContact O-N 2.87Å
244K84.4Confident86.3Confident31 Ų3141.3 Ų41.314%0.13521%0.213CC..SBendtrans-111.4151.6173.2-62.3-171.5-177.7171.80110.9R197 E241 Q242 Y355 E357 Y358R197-K244 PolarHBondContact NH1-O 3.38Å; R197-K244 PolarHBondContact NH2-O 3.44Å; E241-K244 HydrophobicContact CB-CB 4.35Å; E241-K244 HydrophobicContact CB-CD 4.08Å; E241-K244 HydrophobicContact CB-CG 4.41Å; E241-K244 HydrophobicContact CG-CD 4.23Å; E241-K244 PolarHBondContact O-N 2.73Å; E241-K244 VanDerWaalsContact O-N 3.07Å; E241-K244 IonicContact OE1-NZ 3.37Å; E241-K244 VanDerWaalsContact OE2-CD 3.3Å; E241-K244 WeakPolarHBondContact OE2-CD 3.33Å; E241-K244 VanDerWaalsContact OE2-CE 3.29Å; E241-K244 WeakPolarHBondContact OE2-CE 3.42Å; E241-K244 IonicContact OE2-NZ 3.04Å; E241-K244 PolarHBondContact OE2-NZ 3.14Å; Q242-K244 PolarHBondContact O-N 2.9Å; K244-Y355 HydrophobicContact CD-CD2 3.97Å; K244-Y355 HydrophobicContact CD-CE2 3.63Å; K244-Y355 HydrophobicContact CG-CE2 4.07Å; K244-E357 PolarHBondContact NZ-O 3.21Å; K244-Y358 VanDerWaalsContact NZ-CA 3.3Å; K244-Y358 VanDerWaalsContact NZ-CB 3.3Å
245G80.5Confident86.4Confident18 Ų1842.4 Ų42.419%0.18622%0.22CC..  trans-67.2172.6177.500000112.4Y286 S287G245-Y286 PolarHBondContact N-O 3.06Å; G245-S287 VanDerWaalsContact CA-CB 3.46Å
246V78.9Confident86.4Confident6 Ų643 Ų434%0.03623%0.226CC..  trans-84.1139.4-176.1-171.40000110.2V86 K238 S287V86-V246 HydrophobicContact CG2-CG2 3.93Å; K238-V246 HydrophobicContact CB-CG1 3.88Å; K238-V246 HydrophobicContact CD-CG1 3.29Å; K238-V246 HydrophobicContact CG-CG1 4.23Å; V246-S287 PolarHBondContact O-OG 2.7Å
247D74.6Confident86.7Confident77 Ų7743.1 Ų43.141%0.41223%0.227SC..  trans-87.4179.5176.8-145.5-44000111.6K238 D249 V289K238-D247 PolarHBondContact NZ-O 3.4Å; D247-D249 VanDerWaalsContact C-N 3.27Å; D247-D249 PolarHBondContact O-N 2.87Å; D247-V289 HydrophobicContact CB-CG2 4.49Å; D247-V289 WeakPolarHBondContact OD1-CG2 3.37Å
248Y69.2Low86.9Confident124 Ų12445.4 Ų45.449%0.48624%0.237SC..SBendtrans-74.9-14.7176.4-72.4-60.9000113.5L250 V289 D293Y248-L250 PolarHBondContact O-N 3.28Å; Y248-L250 VanDerWaalsContact O-N 3.14Å; Y248-V289 HydrophobicContact CD1-CG1 3.69Å; Y248-V289 HydrophobicContact CD2-CB 4.05Å; Y248-V289 HydrophobicContact CD2-CG1 3.74Å; Y248-V289 HydrophobicContact CD2-CG2 3.25Å; Y248-V289 HydrophobicContact CE1-CG1 3.42Å; Y248-V289 VanDerWaalsContact CE1-CG1 3.42Å; Y248-V289 HydrophobicContact CE2-CB 3.87Å; Y248-V289 HydrophobicContact CE2-CG1 3.49Å; Y248-V289 VanDerWaalsContact CE2-CG1 3.49Å; Y248-V289 HydrophobicContact CE2-CG2 3.42Å; Y248-V289 VanDerWaalsContact CE2-CG2 3.42Å; Y248-V289 HydrophobicContact CG-CG1 3.83Å; Y248-V289 HydrophobicContact CG-CG2 3.93Å; Y248-D293 PolarHBondContact OH-OD1 2.82Å
249D73Confident87.1Confident96 Ų9643.9 Ų43.951%0.51323%0.231SC..  trans-58.3118.2179.5-66.9-22000110.4K238 D247K238-D249 WeakPolarHBondContact CB-O 3.15Å; K238-D249 WeakPolarHBondContact CD-O 3.43Å; K238-D249 WeakPolarHBondContact CG-O 3.43Å; D247-D249 VanDerWaalsContact C-N 3.27Å; D247-D249 PolarHBondContact O-N 2.87Å
250L83.1Confident87.4Confident61 Ų6145 Ų4532%0.31924%0.237SC..  trans-133.9119.7-178.3-179.664.3000109.3K238 Y248 F252K238-L250 HydrophobicContact CD-CD1 4.44Å; K238-L250 HydrophobicContact CG-CD1 3.89Å; Y248-L250 PolarHBondContact O-N 3.28Å; Y248-L250 VanDerWaalsContact O-N 3.14Å; L250-F252 HydrophobicContact CD2-CE1 4.07Å; L250-F252 HydrophobicContact CD2-CE2 3.92Å; L250-F252 HydrophobicContact CD2-CZ 3.46Å; L250-F252 VanDerWaalsContact CD2-CZ 3.46Å; L250-F252 HydrophobicContact CG-CE1 4.48Å; L250-F252 HydrophobicContact CG-CE2 4.2Å; L250-F252 HydrophobicContact CG-CZ 4.06Å
251M91.1Very high87.7Confident28 Ų2844.8 Ų44.814%0.13824%0.235CC..EExtended strand (participates in β ladder)trans-104.3142172-70.1172.5-79.800109.5G236 L237 L239 L261 P363 L365G236-M251 CarbonylContact C-O 3.54Å; G236-M251 WeakPolarHBondContact CA-O 3.27Å; L237-M251 HydrophobicContact CD2-CE 3.41Å; L237-M251 VanDerWaalsContact CD2-CE 3.41Å; L237-M251 PolarHBondContact N-O 3.42Å; L237-M251 PolarHBondContact O-N 3.48Å; L239-M251 HydrophobicContact CD1-CE 4.25Å; L239-M251 HydrophobicContact CG-CE 4.08Å; M251-L261 HydrophobicContact CE-CD2 3.96Å; M251-L261 HydrophobicContact SD-CD2 4.01Å; M251-P363 HydrophobicContact CE-CB 4.29Å; M251-P363 HydrophobicContact CE-CG 3.73Å; M251-P363 HydrophobicContact SD-CB 4.06Å; M251-P363 HydrophobicContact SD-CG 3.65Å; M251-L365 HydrophobicContact CB-CD2 4.06Å; M251-L365 HydrophobicContact CG-CD2 4.25Å; M251-L365 HydrophobicContact SD-CB 4.2Å; M251-L365 HydrophobicContact SD-CD2 4.33Å
252F91.8Very high88.1Confident107 Ų10743.7 Ų43.747%0.46923%0.232SC..EExtended strand (participates in β ladder)trans-106130.9172.7-67.2-78.4000109.7L90 I235 L250L90-F252 HydrophobicContact CD1-CD1 4.28Å; L90-F252 HydrophobicContact CD2-CD1 4.02Å; L90-F252 HydrophobicContact CD2-CE1 3.76Å; I235-F252 WeakPolarHBondContact O-CA 3.19Å; L250-F252 HydrophobicContact CD2-CE1 4.07Å; L250-F252 HydrophobicContact CD2-CE2 3.92Å; L250-F252 HydrophobicContact CD2-CZ 3.46Å; L250-F252 VanDerWaalsContact CD2-CZ 3.46Å; L250-F252 HydrophobicContact CG-CE1 4.48Å; L250-F252 HydrophobicContact CG-CE2 4.2Å; L250-F252 HydrophobicContact CG-CZ 4.06Å
253I95Very high88.6Confident2 Ų239 Ų391%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-121.2119.9177.4-59.8174.2000107.8G234 I235 L237 S257 A259 L261 L365 I392 V394G234-I253 CarbonylContact C-O 3.55Å; G234-I253 WeakPolarHBondContact CA-O 3.2Å; I235-I253 HydrophobicContact CD1-CB 4.34Å; I235-I253 HydrophobicContact CD1-CD1 4.34Å; I235-I253 HydrophobicContact CG1-CB 3.86Å; I235-I253 PolarHBondContact N-O 3.23Å; I235-I253 PolarHBondContact O-N 2.73Å; L237-I253 HydrophobicContact CB-CD1 4.24Å; L237-I253 HydrophobicContact CD1-CD1 3.82Å; I253-S257 WeakPolarHBondContact CG2-OG 3.4Å; I253-A259 HydrophobicContact CD1-CB 3.88Å; I253-A259 HydrophobicContact CG1-CB 4.32Å; I253-A259 HydrophobicContact CG2-CB 3.83Å; I253-L261 HydrophobicContact CD1-CD1 4.35Å; I253-L365 HydrophobicContact CD1-CD1 4.33Å; I253-L365 HydrophobicContact CG1-CD1 4.29Å; I253-I392 HydrophobicContact CG2-CG2 3.52Å; I253-V394 HydrophobicContact CD1-CG2 4.01Å
254P94.1Very high89.4Confident47 Ų4741 Ų4131%0.30521%0.209SC..EExtended strand (participates in β ladder)trans-71.9154.6-176.129.3-33.8000111.8D233 S257 F367D233-P254 VanDerWaalsContact O-CA 3.27Å; D233-P254 WeakPolarHBondContact O-CA 3.46Å; P254-S257 WeakPolarHBondContact O-CB 3.47Å; P254-S257 PolarHBondContact O-OG 2.94Å; P254-F367 HydrophobicContact CG-CD2 4.3Å; P254-F367 HydrophobicContact CG-CE2 4.14Å
255S93.9Very high89.8Confident24 Ų2440 Ų4017%0.16821%0.207CC..SBendtrans-60.2146.517075.20000111.4K220 D233K220-S255 PolarHBondContact NZ-OG 3.05Å; D233-S255 PolarHBondContact O-N 2.86Å; D233-S255 VanDerWaalsContact O-N 3.1Å; D233-S255 PolarHBondContact OD2-OG 3.44Å; D233-S255 VanDerWaalsContact OD2-OG 3.11Å
256G95.3Very high90.5Very high12 Ų1240.3 Ų40.312%0.12421%0.205CC..SBendtrans72.943.417900000111.8F370 K389 T391G256-F370 CarbonylContact C-O 3.49Å; G256-F370 WeakPolarHBondContact CA-O 3.31Å; G256-F370 PolarHBondContact O-N 2.81Å; G256-K389 WeakPolarHBondContact CA-O 3.23Å; G256-K389 PolarHBondContact N-O 3.05Å; G256-T391 WeakPolarHBondContact CA-O 3.25Å; G256-T391 PolarHBondContact N-O 3.39Å
257S96.6Very high91.2Very high2 Ų244.3 Ų44.31%0.01422%0.22CC..EExtended strand (participates in β ladder)trans-136.6148.3-178.869.10000112.9I253 P254 N368 T391 I392 I393I253-S257 WeakPolarHBondContact CG2-OG 3.4Å; P254-S257 WeakPolarHBondContact O-CB 3.47Å; P254-S257 PolarHBondContact O-OG 2.94Å; S257-N368 CarbonylContact C-O 3.57Å; S257-N368 VanDerWaalsContact CA-O 3.25Å; S257-N368 WeakPolarHBondContact CA-O 3.43Å; S257-T391 PolarHBondContact N-O 3.47Å; S257-I392 CarbonylContact O-C 3.53Å; S257-I392 VanDerWaalsContact O-CA 3.31Å; S257-I392 WeakPolarHBondContact O-CA 3.31Å; S257-I393 PolarHBondContact O-N 3.38Å
258H97.3Very high92.2Very high48 Ų4842.5 Ų42.522%0.22221%0.207CC..EExtended strand (participates in β ladder)trans-107.1105.3166.5-177.6-173.8000107.4Y208 F367 N368 F370 I393 E395Y208-H258 PolarHBondContact OH-CE1 3.26Å; H258-F367 CarbonylContact O-C 3.56Å; H258-F367 WeakPolarHBondContact O-CA 3.25Å; H258-N368 PolarHBondContact N-O 3.29Å; H258-N368 PolarHBondContact O-N 3.33Å; H258-F370 HydrophobicContact CB-CB 4.2Å; H258-I393 CarbonylContact C-O 3.55Å; H258-I393 WeakPolarHBondContact CA-O 3.4Å; H258-I393 HydrophobicContact CB-CB 4.37Å; H258-E395 WeakPolarHBondContact NE2-CG 3.48Å
259A97.7Very high93.4Very high0 Ų038.2 Ų38.20%019%0.192CC..EExtended strand (participates in β ladder)trans-99.1130.2-176.100000111.4I253 L261 L365 S366 F367 I393 E395I253-A259 HydrophobicContact CD1-CB 3.88Å; I253-A259 HydrophobicContact CG1-CB 4.32Å; I253-A259 HydrophobicContact CG2-CB 3.83Å; A259-L261 HydrophobicContact CB-CD1 4.05Å; A259-L365 HydrophobicContact CB-CD1 4.21Å; A259-S366 CarbonylContact C-O 3.47Å; A259-S366 WeakPolarHBondContact CA-O 3.41Å; A259-F367 HydrophobicContact CB-CB 4.07Å; A259-I393 PolarHBondContact N-O 3.26Å; A259-E395 PolarHBondContact O-N 3.49Å
260L97.2Very high94.4Very high44 Ų4435.1 Ų35.123%0.2317%0.174CC..EExtended strand (participates in β ladder)trans-107.6130.5173.9-55.3-177.6000109.5Y208 S366 E395Y208-L260 HydrophobicContact CD2-CD2 3.85Å; Y208-L260 HydrophobicContact CE2-CD2 3.43Å; Y208-L260 VanDerWaalsContact CE2-CD2 3.43Å; L260-S366 PolarHBondContact N-O 2.84Å; L260-S366 PolarHBondContact O-N 3.46Å; L260-E395 HydrophobicContact CD2-CB 3.65Å; L260-E395 HydrophobicContact CD2-CG 3.93Å
261L96.6Very high94.8Very high0 Ų035 Ų350%017%0.172CC..EExtended strand (participates in β ladder)trans-127.676.7178.2-68.579.1000109.8L237 M251 I253 A259 L263 L365 V394 E395 L396 Y397L237-L261 HydrophobicContact CD1-CD2 4.31Å; L237-L261 HydrophobicContact CD2-CD2 3.79Å; M251-L261 HydrophobicContact CE-CD2 3.96Å; M251-L261 HydrophobicContact SD-CD2 4.01Å; I253-L261 HydrophobicContact CD1-CD1 4.35Å; A259-L261 HydrophobicContact CB-CD1 4.05Å; L261-L263 PolarHBondContact O-N 3.38Å; L261-L365 HydrophobicContact CD1-CD1 3.58Å; L261-L365 HydrophobicContact CD2-CD1 4.38Å; L261-L365 HydrophobicContact CG-CD1 3.76Å; L261-V394 HydrophobicContact CD1-CG1 3.8Å; L261-E395 PolarHBondContact N-O 2.92Å; L261-L396 HydrophobicContact CB-CD1 3.56Å; L261-L396 HydrophobicContact CD2-CD1 4.1Å; L261-L396 HydrophobicContact CG-CD1 4.47Å; L261-Y397 PolarHBondContact O-N 3.47Å
262P96.7Very high94.8Very high20 Ų2037.6 Ų37.613%0.1319%0.187CC..EExtended strand (participates in β ladder)trans-62.3132.8165.4-10.925.9000109.8P363 T364 Y397 E399P262-P363 WeakPolarHBondContact O-CA 3.37Å; P262-T364 WeakPolarHBondContact CD-O 3.4Å; P262-T364 PolarHBondContact O-N 2.97Å; P262-Y397 CarbonylContact C-O 3.57Å; P262-Y397 WeakPolarHBondContact CA-O 3.41Å; P262-Y397 HydrophobicContact CB-CE2 3.97Å; P262-Y397 HydrophobicContact CG-CE1 4.46Å; P262-Y397 HydrophobicContact CG-CE2 4.28Å; P262-E399 HydrophobicContact CB-CB 4.29Å
263L95.7Very high94.7Very high1 Ų134 Ų341%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-110.1142.6-177.6-62.1-172.8000112.2L82 P83 L239 L261 Y361 P363 L396 Y397 F398 E399L82-L263 HydrophobicContact CD2-CD1 3.84Å; P83-L263 VanDerWaalsContact CD-CD1 3.41Å; P83-L263 HydrophobicContact CG-CD1 3.65Å; L239-L263 HydrophobicContact CD1-CD2 3.68Å; L261-L263 PolarHBondContact O-N 3.38Å; L263-Y361 HydrophobicContact CD1-CD1 4.4Å; L263-P363 HydrophobicContact CD2-CB 3.61Å; L263-L396 HydrophobicContact CD1-CD1 3.66Å; L263-L396 HydrophobicContact CD1-CD2 4.17Å; L263-L396 HydrophobicContact CD1-CG 3.84Å; L263-L396 HydrophobicContact CD2-CD1 3.66Å; L263-L396 HydrophobicContact CG-CD1 3.67Å; L263-L396 HydrophobicContact CG-CG 4.2Å; L263-Y397 PolarHBondContact N-O 2.96Å; L263-F398 HydrophobicContact CB-CD1 3.8Å; L263-F398 HydrophobicContact CB-CE1 4.05Å; L263-F398 HydrophobicContact CD1-CE1 4.34Å; L263-E399 PolarHBondContact O-N 3.28Å; L263-E399 VanDerWaalsContact O-N 3.12Å
264K94.6Very high94.3Very high113 Ų11337.4 Ų37.449%0.49120%0.195SC..EExtended strand (participates in β ladder)trans-113.1135.8159.4-64.9-178.5-175.9-178.20109.5T362 E399K264-T362 PolarHBondContact N-O 2.95Å; K264-T362 VanDerWaalsContact N-O 3.09Å; K264-T362 PolarHBondContact O-N 3.27Å; K264-E399 WeakPolarHBondContact CE-OE2 3.32Å; K264-E399 IonicContact NZ-OE2 3.54Å
265A93.9Very high93.7Very high11 Ų1140.6 Ų40.69%0.09122%0.215CC..EExtended strand (participates in β ladder)trans-100.8131.8176.500000110.9T359 Y361 F398 Y403 T404A265-T359 HydrophobicContact CB-CG2 4.17Å; A265-Y361 HydrophobicContact CB-CD1 4.4Å; A265-Y361 HydrophobicContact CB-CE1 4.41Å; A265-F398 HydrophobicContact CB-CE1 3.96Å; A265-Y403 WeakPolarHBondContact O-CA 3.39Å; A265-Y403 WeakPolarHBondContact O-CB 3.38Å; A265-T404 PolarHBondContact O-N 2.93Å; A265-T404 VanDerWaalsContact O-N 3.08Å
266T94.7Very high93.2Very high24 Ų2446.3 Ų46.315%0.14724%0.239CC..EExtended strand (participates in β ladder)trans-120.4115.3167-56.90000108.5Y268 Q360 T404 I406T266-Y268 HydrophobicContact CG2-CD2 4.34Å; T266-Y268 HydrophobicContact CG2-CE1 4.26Å; T266-Y268 HydrophobicContact CG2-CE2 3.75Å; T266-Q360 PolarHBondContact N-O 2.94Å; T266-Q360 PolarHBondContact O-N 3.24Å; T266-T404 CarbonylContact C-O 3.5Å; T266-T404 VanDerWaalsContact CA-O 3.29Å; T266-T404 WeakPolarHBondContact CA-O 3.31Å; T266-I406 HydrophobicContact CG2-CD1 3.7Å; T266-I406 HydrophobicContact CG2-CG1 4.05Å
267R94Very high92.8Very high89 Ų8948.4 Ų48.434%0.33625%0.245SC..EExtended strand (participates in β ladder)trans-93.2131.8176-174.7174.1177161.23109.2E269 E357 Y403 T404 L405 I406R267-E269 IonicContact CZ-OE1 3.59Å; R267-E269 IonicContact NE-OE1 3.67Å; R267-E269 PolarHBondContact NE-OE1 3.46Å; R267-E269 IonicContact NH2-OE1 3.04Å; R267-E357 IonicContact NH2-OE2 3.52Å; R267-Y403 HydrophobicContact CB-CD2 3.86Å; R267-Y403 HydrophobicContact CB-CE2 4.14Å; R267-T404 PolarHBondContact N-O 3.36Å; R267-L405 HydrophobicContact CB-CD1 4.15Å; R267-L405 HydrophobicContact CG-CD1 4.04Å; R267-L405 CarbonylContact O-C 3.56Å; R267-L405 WeakPolarHBondContact O-CA 3.34Å; R267-I406 PolarHBondContact O-N 2.75Å
268Y94.6Very high92.6Very high39 Ų3951 Ų5115%0.15326%0.259CS..EExtended strand (participates in β ladder)trans-108132.5175.5-64.2-87.5000109.7T266 F270 E357 Y358 Q360 I406T266-Y268 HydrophobicContact CG2-CD2 4.34Å; T266-Y268 HydrophobicContact CG2-CE1 4.26Å; T266-Y268 HydrophobicContact CG2-CE2 3.75Å; Y268-F270 AromaticContact CD1-CE1 3.77Å; Y268-F270 HydrophobicContact CD1-CE1 3.77Å; Y268-F270 AromaticContact CD1-CE2 3.87Å; Y268-F270 HydrophobicContact CD1-CE2 3.87Å; Y268-F270 AromaticContact CD1-CZ 3.22Å; Y268-F270 HydrophobicContact CD1-CZ 3.22Å; Y268-F270 AromaticContact CE1-CZ 3.93Å; Y268-F270 HydrophobicContact CE1-CZ 3.93Å; Y268-F270 HydrophobicContact CG-CE2 4.19Å; Y268-F270 AromaticContact CG-CZ 3.96Å; Y268-F270 HydrophobicContact CG-CZ 3.96Å; Y268-E357 VanDerWaalsContact O-CA 3.31Å; Y268-E357 WeakPolarHBondContact O-CA 3.46Å; Y268-Y358 AromaticContact CD2-CD2 3.8Å; Y268-Y358 HydrophobicContact CD2-CD2 3.8Å; Y268-Y358 HydrophobicContact CD2-CE1 4.14Å; Y268-Y358 AromaticContact CD2-CE2 3.19Å; Y268-Y358 HydrophobicContact CD2-CE2 3.19Å; Y268-Y358 HydrophobicContact CD2-CG 4.47Å; Y268-Y358 AromaticContact CD2-CZ 3.39Å; Y268-Y358 HydrophobicContact CE2-CD2 4.48Å; Y268-Y358 AromaticContact CE2-CE2 3.64Å; Y268-Y358 HydrophobicContact CE2-CE2 3.64Å; Y268-Y358 AromaticContact CE2-CZ 3.98Å; Y268-Y358 AromaticContact CG-CE1 3.99Å; Y268-Y358 HydrophobicContact CG-CE1 3.99Å; Y268-Y358 AromaticContact CG-CE2 3.89Å; Y268-Y358 HydrophobicContact CG-CE2 3.89Å; Y268-Y358 AromaticContact CG-CZ 3.57Å; Y268-Y358 PolarHBondContact N-O 2.95Å; Y268-Y358 PolarHBondContact O-N 3.13Å; Y268-Q360 HydrophobicContact CD2-CB 4.44Å; Y268-Q360 HydrophobicContact CE2-CB 3.79Å; Y268-Q360 PolarHBondContact OH-OE1 2.97Å; Y268-I406 WeakPolarHBondContact CA-O 3.38Å; Y268-I406 HydrophobicContact CD1-CB 3.75Å; Y268-I406 HydrophobicContact CD1-CD1 4.19Å; Y268-I406 HydrophobicContact CD1-CG1 4.44Å; Y268-I406 HydrophobicContact CD1-CG2 4.03Å; Y268-I406 HydrophobicContact CE1-CB 4.01Å; Y268-I406 HydrophobicContact CE1-CD1 3.54Å; Y268-I406 HydrophobicContact CE1-CG1 4.26Å; Y268-I406 HydrophobicContact CE1-CG2 4.23Å
269E95.1Very high92.4Very high34 Ų3448.9 Ų48.916%0.15925%0.249CC..EExtended strand (participates in β ladder)trans-128.585.1172.8-73.7-177.1-162.800108.9R267 E357 L405 I406 K407 H408R267-E269 IonicContact CZ-OE1 3.59Å; R267-E269 IonicContact NE-OE1 3.67Å; R267-E269 PolarHBondContact NE-OE1 3.46Å; R267-E269 IonicContact NH2-OE1 3.04Å; E269-E357 HydrophobicContact CG-CG 4.3Å; E269-L405 HydrophobicContact CB-CD1 4.24Å; E269-L405 HydrophobicContact CG-CD1 3.8Å; E269-I406 PolarHBondContact N-O 3.11Å; E269-K407 HydrophobicContact CB-CB 4.2Å; E269-K407 HydrophobicContact CB-CD 4.22Å; E269-K407 HydrophobicContact CB-CG 3.96Å; E269-K407 WeakPolarHBondContact O-CA 3.43Å; E269-K407 VanDerWaalsContact OE2-CD 3.32Å; E269-K407 WeakPolarHBondContact OE2-CD 3.05Å; E269-K407 VanDerWaalsContact OE2-CE 3.31Å; E269-K407 WeakPolarHBondContact OE2-CE 3.02Å; E269-K407 IonicContact OE2-NZ 2.72Å; E269-K407 PolarHBondContact OE2-NZ 3.15Å; E269-H408 PolarHBondContact O-N 3.43Å
270F94.6Very high92Very high31 Ų3150.5 Ų50.514%0.13626%0.258CS..  trans-93.1144.3-179-60.9-35.8000112Y268 F277 C356 Y358 I406 H408Y268-F270 AromaticContact CD1-CE1 3.77Å; Y268-F270 HydrophobicContact CD1-CE1 3.77Å; Y268-F270 AromaticContact CD1-CE2 3.87Å; Y268-F270 HydrophobicContact CD1-CE2 3.87Å; Y268-F270 AromaticContact CD1-CZ 3.22Å; Y268-F270 HydrophobicContact CD1-CZ 3.22Å; Y268-F270 AromaticContact CE1-CZ 3.93Å; Y268-F270 HydrophobicContact CE1-CZ 3.93Å; Y268-F270 HydrophobicContact CG-CE2 4.19Å; Y268-F270 AromaticContact CG-CZ 3.96Å; Y268-F270 HydrophobicContact CG-CZ 3.96Å; F270-F277 HydrophobicContact CB-CD1 4.13Å; F270-F277 HydrophobicContact CB-CE1 3.44Å; F270-F277 VanDerWaalsContact CB-CE1 3.44Å; F270-F277 HydrophobicContact CB-CZ 4.11Å; F270-F277 AromaticContact CD2-CE1 3.78Å; F270-F277 HydrophobicContact CD2-CE1 3.78Å; F270-F277 AromaticContact CD2-CZ 3.52Å; F270-F277 HydrophobicContact CD2-CZ 3.52Å; F270-F277 HydrophobicContact CE2-CZ 4.18Å; F270-F277 AromaticContact CG-CE1 3.92Å; F270-F277 HydrophobicContact CG-CE1 3.92Å; F270-F277 HydrophobicContact CG-CZ 4.08Å; F270-C356 PolarHBondContact N-O 3.29Å; F270-C356 WeakPolarHBondContact O-CB 3.27Å; F270-Y358 HydrophobicContact CD2-CE1 4.12Å; F270-Y358 AromaticContact CE2-CE1 3.9Å; F270-Y358 HydrophobicContact CE2-CE1 3.9Å; F270-I406 HydrophobicContact CE1-CG2 4.08Å; F270-H408 AromaticContact CD1-CD2 3.52Å; F270-H408 AromaticContact CD1-CE1 3.49Å; F270-H408 VanDerWaalsContact CD1-CE1 3.49Å; F270-H408 WeakPolarHBondContact CD1-CE1 3.45Å; F270-H408 AromaticContact CD1-CG 3.8Å; F270-H408 AromaticContact CD1-ND1 3.79Å; F270-H408 AromaticContact CD1-NE2 3.33Å; F270-H408 VanDerWaalsContact CD1-NE2 3.33Å; F270-H408 WeakPolarHBondContact CD1-NE2 3.33Å; F270-H408 AromaticContact CE1-CD2 3.96Å; F270-H408 AromaticContact CE1-NE2 3.57Å; F270-H408 AromaticContact CG-CE1 3.89Å
271M91.2Very high91.4Very high58 Ų5854 Ų5429%0.28628%0.281SS..  trans-85.8130.8173.1-67.2-179.76800110.3N273 F277 H408 R410M271-N273 PolarHBondContact O-N 3.2Å; M271-N273 VanDerWaalsContact O-N 3.16Å; M271-F277 WeakPolarHBondContact O-CD1 3.37Å; M271-H408 HydrophobicContact CB-CB 4.03Å; M271-H408 HydrophobicContact CG-CB 3.8Å; M271-H408 HydrophobicContact SD-CB 4.32Å; M271-R410 HydrophobicContact CE-CG 3.96Å; M271-R410 HydrophobicContact SD-CG 4.35Å
272N91.3Very high90.4Very high84 Ų8461.2 Ų61.245%0.44931%0.314SS..  trans-67.8108.6166.3-167.832.1000109N278 C279N272-N278 VanDerWaalsContact OD1-CA 3.32Å; N272-N278 WeakPolarHBondContact OD1-CA 3.38Å; N272-C279 PolarHBondContact OD1-N 3.48Å; N272-C279 VanDerWaalsContact OD1-N 3.08Å
273N88.1Confident89.4Confident30 Ų3064.7 Ų64.716%0.1633%0.329CS..BIsolated β-bridgetrans-138.376.2-177.6-170.732.9000111.2T65 I67 M271 H276 F277T65-N273 PolarHBondContact OG1-ND2 3.28Å; T65-N273 PolarHBondContact OG1-OD1 3.01Å; I67-N273 HydrophobicContact CD1-CB 3.7Å; I67-N273 WeakPolarHBondContact CD1-ND2 3.34Å; M271-N273 PolarHBondContact O-N 3.2Å; M271-N273 VanDerWaalsContact O-N 3.16Å; N273-H276 PolarHBondContact O-N 3.2Å; N273-F277 CarbonylContact C-O 2.93Å; N273-F277 PolarHBondContact N-O 3.45Å; N273-F277 PolarHBondContact O-N 3.1Å
274P86.3Confident88.4Confident75 Ų7569.4 Ų69.449%0.48736%0.362SS..THydrogen-bonded Turntrans-61.2143.2173.8-13.324.3000111.3N278P274-N278 VanDerWaalsContact CB-OD1 3.27Å; P274-N278 WeakPolarHBondContact CB-OD1 3.32Å; P274-N278 VanDerWaalsContact CG-OD1 3.22Å; P274-N278 WeakPolarHBondContact CG-OD1 3.47Å
275P83.2Confident87.6Confident113 Ų11366.4 Ų66.473%0.73436%0.364SS*.THydrogen-bonded Turncis-87-0.62.635.7-36.1000114.1
276H82.5Confident87.3Confident145 Ų14567.6 Ų67.667%0.67137%0.366SS*.THydrogen-bonded Turntrans-74.5-41.6-171.2-64-66.3000113.5N273N273-H276 PolarHBondContact O-N 3.2Å
277F88.1Confident86.9Confident56 Ų5666.8 Ų66.825%0.24636%0.362CS..BIsolated β-bridgetrans-149.8121.3-179.4-170.3-102.7000110.6F270 M271 N273 C279 P354F270-F277 HydrophobicContact CB-CD1 4.13Å; F270-F277 HydrophobicContact CB-CE1 3.44Å; F270-F277 VanDerWaalsContact CB-CE1 3.44Å; F270-F277 HydrophobicContact CB-CZ 4.11Å; F270-F277 AromaticContact CD2-CE1 3.78Å; F270-F277 HydrophobicContact CD2-CE1 3.78Å; F270-F277 AromaticContact CD2-CZ 3.52Å; F270-F277 HydrophobicContact CD2-CZ 3.52Å; F270-F277 HydrophobicContact CE2-CZ 4.18Å; F270-F277 AromaticContact CG-CE1 3.92Å; F270-F277 HydrophobicContact CG-CE1 3.92Å; F270-F277 HydrophobicContact CG-CZ 4.08Å; M271-F277 WeakPolarHBondContact O-CD1 3.37Å; N273-F277 CarbonylContact C-O 2.93Å; N273-F277 PolarHBondContact N-O 3.45Å; N273-F277 PolarHBondContact O-N 3.1Å; F277-C279 HydrophobicContact CD1-CB 4.24Å; F277-C279 HydrophobicContact CE1-CB 3.62Å; F277-C279 HydrophobicContact CZ-CB 4.35Å; F277-P354 HydrophobicContact CE2-CG 4.25Å; F277-P354 HydrophobicContact CZ-CG 3.77Å
278N91.3Very high86.6Confident56 Ų5668 Ų6830%0.29937%0.366SS..  trans-109131.8175.4-60.2-60.8000109.5N272 P274 Q353N272-N278 VanDerWaalsContact OD1-CA 3.32Å; N272-N278 WeakPolarHBondContact OD1-CA 3.38Å; P274-N278 VanDerWaalsContact CB-OD1 3.27Å; P274-N278 WeakPolarHBondContact CB-OD1 3.32Å; P274-N278 VanDerWaalsContact CG-OD1 3.22Å; P274-N278 WeakPolarHBondContact CG-OD1 3.47Å; N278-Q353 HydrophobicContact CB-CG 4.17Å
279C93.1Very high86.3Confident4 Ų466.6 Ų66.63%0.02736%0.362CS..  trans-144.5154.8176.761.20000111.9N272 F277 P354 C356N272-C279 PolarHBondContact OD1-N 3.48Å; N272-C279 VanDerWaalsContact OD1-N 3.08Å; F277-C279 HydrophobicContact CD1-CB 4.24Å; F277-C279 HydrophobicContact CE1-CB 3.62Å; F277-C279 HydrophobicContact CZ-CB 4.35Å; C279-P354 CarbonylContact C-O 3.21Å; C279-P354 WeakPolarHBondContact CA-O 3.17Å; C279-P354 HydrophobicContact CB-CG 4.48Å; C279-P354 VanDerWaalsContact CB-O 3.29Å; C279-P354 WeakPolarHBondContact CB-O 3.31Å; C279-C356 HydrophobicContact CB-CB 3.96Å; C279-C356 WeakPolarHBondContact CB-SG 3.36Å; C279-C356 PolarHBondContact O-SG 3.13Å; C279-C356 VanDerWaalsContact O-SG 3.38Å; C279-C356 WeakPolarHBondContact SG-CA 3.38Å; C279-C356 WeakPolarHBondContact SG-CB 3.5Å; C279-C356 CovalentContact SG-SG 2.04Å; C279-C356 PolarHBondContact SG-SG 3.04Å
280L89.9Confident85.9Confident33 Ų3365.4 Ų65.417%0.17336%0.357CS..BIsolated β-bridgetrans-89138.4-179.1-61.8170.7000111.3Y286 Q353 P354 Y355 C356L280-Y286 HydrophobicContact CD1-CD1 4.23Å; L280-Y286 HydrophobicContact CD1-CD2 4.42Å; L280-Y286 HydrophobicContact CD1-CE1 3.83Å; L280-Y286 HydrophobicContact CD1-CE2 4.04Å; L280-Q353 HydrophobicContact CD1-CB 4.29Å; L280-Q353 HydrophobicContact CD2-CB 4.42Å; L280-Q353 HydrophobicContact CG-CB 3.88Å; L280-P354 PolarHBondContact N-O 2.77Å; L280-Y355 HydrophobicContact CB-CD1 4.4Å; L280-C356 PolarHBondContact O-N 3.39Å
281T84.7Confident85.8Confident118 Ų11865 Ų6572%0.72436%0.358SS*.  trans-87.9106168.553.80000109.1
282H75.1Confident85.8Confident151 Ų15163.9 Ų63.970%0.69935%0.353SS*.  trans32.997.8170.6-165-81.5000117.4
283E75.4Confident85.7Confident93 Ų9361.9 Ų61.944%0.43534%0.342SS..  trans-118117.1170.4-69.7-176.1-179.900109G285 Y286 Y355E283-G285 PolarHBondContact O-N 2.79Å; E283-Y286 PolarHBondContact O-N 2.8Å; E283-Y355 HydrophobicContact CB-CE1 4.34Å; E283-Y355 PolarHBondContact O-OH 3.28Å
284S75.4Confident85.9Confident100 Ų10062.4 Ų62.470%0.69935%0.345SS*.THydrogen-bonded Turntrans-65.6135.1-179.854.50000111.6Y286S284-Y286 PolarHBondContact O-N 3.35Å
285G78.2Confident86.2Confident51 Ų5159.5 Ų59.553%0.52633%0.326SS..THydrogen-bonded Turntrans81.2-11.3177.800000114.8S243 E283S243-G285 PolarHBondContact O-N 2.87Å; E283-G285 PolarHBondContact O-N 2.79Å
286Y85.9Confident86.6Confident35 Ų3555.2 Ų55.214%0.13730%0.298CS..  trans-69.2140.4176.9173.9-83.5000110.9G245 L280 E283 S284 R288 C291 C352 Q353 Y355G245-Y286 PolarHBondContact N-O 3.06Å; L280-Y286 HydrophobicContact CD1-CD1 4.23Å; L280-Y286 HydrophobicContact CD1-CD2 4.42Å; L280-Y286 HydrophobicContact CD1-CE1 3.83Å; L280-Y286 HydrophobicContact CD1-CE2 4.04Å; E283-Y286 PolarHBondContact O-N 2.8Å; S284-Y286 PolarHBondContact O-N 3.35Å; Y286-R288 HydrophobicContact CE1-CB 4.36Å; Y286-C291 HydrophobicContact CD2-CB 4.43Å; Y286-C291 HydrophobicContact CE2-CB 3.52Å; Y286-C352 WeakPolarHBondContact OH-CA 3.29Å; Y286-Q353 WeakPolarHBondContact CE1-O 3.41Å; Y286-Q353 PolarHBondContact OH-N 3.28Å; Y286-Q353 PolarHBondContact OH-O 3.34Å; Y286-Y355 VanDerWaalsContact C-OH 3.25Å; Y286-Y355 WeakPolarHBondContact CA-OH 2.99Å; Y286-Y355 WeakPolarHBondContact CB-OH 3.03Å; Y286-Y355 HydrophobicContact CD1-CE1 4Å; Y286-Y355 AromaticContact CD1-CE2 3.81Å; Y286-Y355 HydrophobicContact CD1-CE2 3.81Å; Y286-Y355 AromaticContact CD1-CZ 3.53Å; Y286-Y355 PolarHBondContact N-OH 3.37Å; Y286-Y355 PolarHBondContact O-OH 3.46Å
287S86.4Confident87Confident8 Ų850 Ų506%0.05627%0.273CS..  trans-135.5137.5164.8159.60000107.2G245 V246 V289 S290 C291G245-S287 VanDerWaalsContact CA-CB 3.46Å; V246-S287 PolarHBondContact O-OG 2.7Å; S287-V289 PolarHBondContact O-N 3.45Å; S287-V289 PolarHBondContact OG-N 2.85Å; S287-S290 PolarHBondContact O-N 2.8Å; S287-S290 VanDerWaalsContact O-N 3.16Å; S287-S290 PolarHBondContact OG-N 2.96Å; S287-C291 PolarHBondContact O-N 3.4Å
288R87.9Confident87.2Confident114 Ų11449 Ų4943%0.4327%0.272SS..Hα-helixtrans-57.7-37.4176.2-173.6179.4177.9-148.9-0.9110.9Y286 C291 L292 C352Y286-R288 HydrophobicContact CE1-CB 4.36Å; R288-C291 PolarHBondContact O-N 2.81Å; R288-L292 HydrophobicContact CG-CD1 4.23Å; R288-L292 WeakPolarHBondContact O-CB 3.38Å; R288-L292 WeakPolarHBondContact O-CG 3.32Å; R288-L292 PolarHBondContact O-N 3.32Å; R288-C352 HydrophobicContact CG-CB 4.46Å; R288-C352 PolarHBondContact NE-O 3.43Å
289V88Confident87.3Confident10 Ų1050.3 Ų50.36%0.06128%0.275CS..Hα-helixtrans-64.3-50.8175.3166.80000111.4D247 Y248 S287 C291 L292 D293D247-V289 HydrophobicContact CB-CG2 4.49Å; D247-V289 WeakPolarHBondContact OD1-CG2 3.37Å; Y248-V289 HydrophobicContact CD1-CG1 3.69Å; Y248-V289 HydrophobicContact CD2-CB 4.05Å; Y248-V289 HydrophobicContact CD2-CG1 3.74Å; Y248-V289 HydrophobicContact CD2-CG2 3.25Å; Y248-V289 HydrophobicContact CE1-CG1 3.42Å; Y248-V289 VanDerWaalsContact CE1-CG1 3.42Å; Y248-V289 HydrophobicContact CE2-CB 3.87Å; Y248-V289 HydrophobicContact CE2-CG1 3.49Å; Y248-V289 VanDerWaalsContact CE2-CG1 3.49Å; Y248-V289 HydrophobicContact CE2-CG2 3.42Å; Y248-V289 VanDerWaalsContact CE2-CG2 3.42Å; Y248-V289 HydrophobicContact CG-CG1 3.83Å; Y248-V289 HydrophobicContact CG-CG2 3.93Å; S287-V289 PolarHBondContact O-N 3.45Å; S287-V289 PolarHBondContact OG-N 2.85Å; V289-C291 VanDerWaalsContact C-N 3.28Å; V289-C291 PolarHBondContact O-N 3.32Å; V289-L292 PolarHBondContact O-N 2.82Å; V289-L292 VanDerWaalsContact O-N 3.1Å; V289-D293 PolarHBondContact O-N 2.59Å
290S88.2Confident87.3Confident8 Ų850.2 Ų50.26%0.05627%0.274CS..Hα-helixtrans-55.4-45.6176.4-64.10000111.6S287 D293 D294 Y313S287-S290 PolarHBondContact O-N 2.8Å; S287-S290 VanDerWaalsContact O-N 3.16Å; S287-S290 PolarHBondContact OG-N 2.96Å; S290-D293 PolarHBondContact O-N 3.1Å; S290-D294 PolarHBondContact O-N 2.85Å; S290-Y313 VanDerWaalsContact CA-CE1 3.48Å; S290-Y313 VanDerWaalsContact CB-CE1 3.49Å; S290-Y313 WeakPolarHBondContact O-CE1 3.15Å; S290-Y313 PolarHBondContact O-OH 2.9Å; S290-Y313 WeakPolarHBondContact OG-CD1 2.93Å
291C91.3Very high87.5Confident24 Ų2448.6 Ų48.616%0.16227%0.266CS..Hα-helixtrans-61.2-44.6176.3177.80000112.5Y286 S287 R288 V289 D293 D294 C295 C352Y286-C291 HydrophobicContact CD2-CB 4.43Å; Y286-C291 HydrophobicContact CE2-CB 3.52Å; S287-C291 PolarHBondContact O-N 3.4Å; R288-C291 PolarHBondContact O-N 2.81Å; V289-C291 VanDerWaalsContact C-N 3.28Å; V289-C291 PolarHBondContact O-N 3.32Å; C291-D293 VanDerWaalsContact C-N 3.35Å; C291-D294 PolarHBondContact O-N 2.02Å; C291-D294 VanDerWaalsContact O-N 3.1Å; C291-C295 WeakPolarHBondContact O-CB 3.23Å; C291-C295 PolarHBondContact O-N 2.86Å; C291-C352 HydrophobicContact CB-CB 3.74Å; C291-C352 WeakPolarHBondContact CB-SG 3.16Å; C291-C352 PolarHBondContact O-SG 2.97Å; C291-C352 WeakPolarHBondContact SG-CA 3.43Å; C291-C352 WeakPolarHBondContact SG-CB 3.39Å; C291-C352 CovalentContact SG-SG 2.05Å; C291-C352 PolarHBondContact SG-SG 2.92Å
292L91.5Very high88.1Confident34 Ų3450 Ų5018%0.17826%0.262CS..Hα-helixtrans-62.5-45.2178.6-75169.5000110.8R288 V289 D294 C295 V296 C348 R349 C352R288-L292 HydrophobicContact CG-CD1 4.23Å; R288-L292 WeakPolarHBondContact O-CB 3.38Å; R288-L292 WeakPolarHBondContact O-CG 3.32Å; R288-L292 PolarHBondContact O-N 3.32Å; V289-L292 PolarHBondContact O-N 2.82Å; V289-L292 VanDerWaalsContact O-N 3.1Å; L292-D294 PolarHBondContact O-N 3.11Å; L292-C295 PolarHBondContact O-N 2.86Å; L292-V296 WeakPolarHBondContact O-CB 3.35Å; L292-V296 VanDerWaalsContact O-CG2 3.26Å; L292-V296 WeakPolarHBondContact O-CG2 3.42Å; L292-V296 PolarHBondContact O-N 2.69Å; L292-C348 HydrophobicContact CD2-CB 4.21Å; L292-R349 HydrophobicContact CD2-CG 4.29Å; L292-C352 HydrophobicContact CD2-CB 3.81Å; L292-C352 HydrophobicContact CG-CB 3.87Å; L292-C352 PolarHBondContact N-SG 2.04Å; L292-C352 VanDerWaalsContact N-SG 3.38Å
293D89.6Confident89Confident42 Ų4247.8 Ų47.823%0.22525%0.252CS..Hα-helixtrans-61.6-32.3173.5-75.1-15.3000111.7Y248 V289 S290 C291 Y297 Y313 R315Y248-D293 PolarHBondContact OH-OD1 2.82Å; V289-D293 PolarHBondContact O-N 2.59Å; S290-D293 PolarHBondContact O-N 3.1Å; C291-D293 VanDerWaalsContact C-N 3.35Å; D293-Y297 WeakPolarHBondContact O-CB 3.27Å; D293-Y297 WeakPolarHBondContact O-CD2 3.5Å; D293-Y297 PolarHBondContact O-N 2.84Å; D293-Y313 VanDerWaalsContact C-OH 3.32Å; D293-Y313 HydrophobicContact CB-CE1 4.4Å; D293-R315 PolarHBondContact O-NH1 3.46Å; D293-R315 PolarHBondContact O-NH2 2.75Å; D293-R315 VanDerWaalsContact O-NH2 3.13Å
294D91Very high90Very high40 Ų4044 Ų4421%0.21424%0.235CC..Hα-helixtrans-71.9-47.1178.6-173.160.3000109.8S290 C291 L292 V296 Y297 S298 Y313 R315 R316S290-D294 PolarHBondContact O-N 2.85Å; C291-D294 PolarHBondContact O-N 2.02Å; C291-D294 VanDerWaalsContact O-N 3.1Å; L292-D294 PolarHBondContact O-N 3.11Å; D294-V296 PolarHBondContact O-N 3.26Å; D294-Y297 PolarHBondContact O-N 2.96Å; D294-S298 WeakPolarHBondContact O-CA 3.14Å; D294-S298 VanDerWaalsContact O-CB 3.27Å; D294-S298 WeakPolarHBondContact O-CB 3.24Å; D294-S298 PolarHBondContact O-N 2.84Å; D294-Y313 WeakPolarHBondContact CA-OH 3.24Å; D294-Y313 HydrophobicContact CB-CE2 3.97Å; D294-Y313 WeakPolarHBondContact CB-OH 3.47Å; D294-Y313 PolarHBondContact N-OH 2.83Å; D294-R315 IonicContact OD1-NH1 3.72Å; D294-R316 PolarHBondContact O-NH2 2.78Å; D294-R316 IonicContact OD1-CZ 3.6Å; D294-R316 IonicContact OD1-NE 3.97Å; D294-R316 IonicContact OD1-NH2 2.62Å; D294-R316 PolarHBondContact OD1-NH2 3.31Å; D294-R316 IonicContact OD2-CZ 2.68Å; D294-R316 IonicContact OD2-NE 3.31Å; D294-R316 IonicContact OD2-NH2 2.74Å; D294-R316 PolarHBondContact OD2-NH2 3.46Å
295C92.9Very high91Very high14 Ų1444.1 Ų44.110%0.09523%0.228CC..Hα-helixtrans-62.8-45-179-175.10000111.9C291 L292 Y297 S298 C348C291-C295 WeakPolarHBondContact O-CB 3.23Å; C291-C295 PolarHBondContact O-N 2.86Å; L292-C295 PolarHBondContact O-N 2.86Å; C295-Y297 VanDerWaalsContact C-N 3.34Å; C295-Y297 PolarHBondContact O-N 3.07Å; C295-S298 WeakPolarHBondContact O-CB 3.43Å; C295-S298 PolarHBondContact O-N 2.79Å; C295-C348 HydrophobicContact CB-CB 3.7Å; C295-C348 WeakPolarHBondContact CB-SG 3.17Å; C295-C348 WeakPolarHBondContact SG-CA 3.47Å; C295-C348 WeakPolarHBondContact SG-CB 3.44Å; C295-C348 CovalentContact SG-SG 2.04Å; C295-C348 PolarHBondContact SG-SG 3.26Å
296V91.4Very high91.8Very high23 Ų2341.7 Ų41.714%0.13920%0.203CC..Hα-helixtrans-63.8-40.8-179.7168.20000111.2L292 D294 L333 F344 F345L292-V296 WeakPolarHBondContact O-CB 3.35Å; L292-V296 VanDerWaalsContact O-CG2 3.26Å; L292-V296 WeakPolarHBondContact O-CG2 3.42Å; L292-V296 PolarHBondContact O-N 2.69Å; D294-V296 PolarHBondContact O-N 3.26Å; V296-L333 HydrophobicContact CG1-CD1 3.67Å; V296-F344 HydrophobicContact CG2-CE1 4.37Å; V296-F345 HydrophobicContact CG2-CD1 4.37Å; V296-F345 HydrophobicContact CG2-CE1 4.19Å
297Y92.4Very high92.2Very high37 Ų3740.1 Ų40.115%0.14520%0.198CC..Hα-helixtrans-83.9-22.6-178.9-81-105.6000113.6D293 D294 C295 K299 A300 E301 H308 L329 L333D293-Y297 WeakPolarHBondContact O-CB 3.27Å; D293-Y297 WeakPolarHBondContact O-CD2 3.5Å; D293-Y297 PolarHBondContact O-N 2.84Å; D294-Y297 PolarHBondContact O-N 2.96Å; C295-Y297 VanDerWaalsContact C-N 3.34Å; C295-Y297 PolarHBondContact O-N 3.07Å; Y297-K299 VanDerWaalsContact C-N 3.29Å; Y297-K299 PolarHBondContact O-N 2.85Å; Y297-A300 WeakPolarHBondContact O-CA 3.02Å; Y297-A300 PolarHBondContact O-N 3.12Å; Y297-E301 HydrophobicContact CD1-CG 4.5Å; Y297-E301 WeakPolarHBondContact O-CG 3.37Å; Y297-E301 PolarHBondContact O-N 2.9Å; Y297-H308 HydrophobicContact CD1-CB 3.97Å; Y297-H308 HydrophobicContact CE1-CB 3.67Å; Y297-H308 AromaticContact CE1-CG 3.84Å; Y297-H308 AromaticContact CE1-ND1 3.88Å; Y297-H308 AromaticContact CZ-ND1 3.82Å; Y297-H308 PolarHBondContact OH-ND1 3Å; Y297-L329 HydrophobicContact CD1-CD1 4.32Å; Y297-L329 HydrophobicContact CD1-CD2 4.05Å; Y297-L329 HydrophobicContact CD1-CG 4.36Å; Y297-L329 HydrophobicContact CE1-CD2 4Å; Y297-L329 HydrophobicContact CE1-CG 4.47Å; Y297-L333 HydrophobicContact CD1-CD2 4.25Å; Y297-L333 HydrophobicContact CD2-CD2 4.47Å; Y297-L333 HydrophobicContact CE1-CD2 3.62Å; Y297-L333 HydrophobicContact CE2-CD2 3.9Å; Y297-L333 VanDerWaalsContact CZ-CD2 3.43Å
298S92.6Very high92.5Very high34 Ų3440.7 Ų40.724%0.23820%0.199CC..Hα-helixtrans-44.2-46.8-172.7-179.90000114.6D294 C295 K302 R316D294-S298 WeakPolarHBondContact O-CA 3.14Å; D294-S298 VanDerWaalsContact O-CB 3.27Å; D294-S298 WeakPolarHBondContact O-CB 3.24Å; D294-S298 PolarHBondContact O-N 2.84Å; C295-S298 WeakPolarHBondContact O-CB 3.43Å; C295-S298 PolarHBondContact O-N 2.79Å; S298-K302 VanDerWaalsContact O-CB 3.22Å; S298-K302 WeakPolarHBondContact O-CB 3Å; S298-K302 PolarHBondContact O-N 3.17Å; S298-R316 VanDerWaalsContact CB-NH2 3.31Å; S298-R316 PolarHBondContact OG-NH1 3.49Å; S298-R316 PolarHBondContact OG-NH2 2.83Å
299K91.8Very high92.6Very high84 Ų8436 Ų3637%0.36518%0.182SC..Hα-helixtrans-69.7-43179.4-74179.9178.9173.10112.3Y297 H303 L336 E340 F344Y297-K299 VanDerWaalsContact C-N 3.29Å; Y297-K299 PolarHBondContact O-N 2.85Å; K299-H303 PolarHBondContact O-N 3.21Å; K299-H303 VanDerWaalsContact O-N 3.14Å; K299-L336 HydrophobicContact CB-CD1 3.71Å; K299-L336 HydrophobicContact CB-CD2 4.5Å; K299-L336 HydrophobicContact CD-CD1 4.49Å; K299-L336 HydrophobicContact CD-CD2 3.97Å; K299-E340 IonicContact NZ-OE1 3.62Å; K299-E340 PolarHBondContact NZ-OE1 3.45Å; K299-E340 IonicContact NZ-OE2 3.11Å; K299-E340 PolarHBondContact NZ-OE2 3.04Å; K299-F344 HydrophobicContact CD-CE2 4.15Å
300A93.9Very high92.5Very high1 Ų136.3 Ų36.31%0.00819%0.186CC..Hα-helixtrans-69.4-43.418000000111Y297 K302 H303 C304 L329 R332 L333 L336Y297-A300 WeakPolarHBondContact O-CA 3.02Å; Y297-A300 PolarHBondContact O-N 3.12Å; A300-K302 PolarHBondContact O-N 3.3Å; A300-H303 PolarHBondContact O-N 2.95Å; A300-C304 WeakPolarHBondContact O-CB 3.12Å; A300-C304 PolarHBondContact O-N 3.14Å; A300-C304 PolarHBondContact O-SG 3.24Å; A300-C304 VanDerWaalsContact O-SG 3.36Å; A300-L329 HydrophobicContact CB-CD1 3.78Å; A300-R332 HydrophobicContact CB-CB 4.05Å; A300-L333 HydrophobicContact CB-CB 4.44Å; A300-L336 HydrophobicContact CB-CD1 4.16Å
301E95.1Very high92.3Very high0 Ų036.6 Ų36.60%019%0.189CC..Hα-helixtrans-63.1-43.3177.4-67.1-175.5154.900111.4Y297 H303 C304 N305 C306 S307 H308 R315 Y317 L329Y297-E301 HydrophobicContact CD1-CG 4.5Å; Y297-E301 WeakPolarHBondContact O-CG 3.37Å; Y297-E301 PolarHBondContact O-N 2.9Å; E301-H303 VanDerWaalsContact C-N 3.29Å; E301-H303 PolarHBondContact O-N 3.32Å; E301-C304 PolarHBondContact O-N 3.08Å; E301-N305 WeakPolarHBondContact O-CA 2.99Å; E301-N305 PolarHBondContact O-N 2.92Å; E301-C306 VanDerWaalsContact CA-O 3.27Å; E301-C306 WeakPolarHBondContact CA-O 2.84Å; E301-C306 VanDerWaalsContact CB-O 3.3Å; E301-C306 WeakPolarHBondContact CB-O 3.33Å; E301-C306 WeakPolarHBondContact CG-O 3.16Å; E301-C306 PolarHBondContact O-N 3.44Å; E301-S307 WeakPolarHBondContact OE1-CA 3.38Å; E301-S307 VanDerWaalsContact OE1-CB 3.29Å; E301-S307 WeakPolarHBondContact OE1-CB 3.28Å; E301-H308 PolarHBondContact OE1-N 3.38Å; E301-H308 VanDerWaalsContact OE1-N 3.1Å; E301-R315 VanDerWaalsContact CD-NH1 3.33Å; E301-R315 IonicContact OE1-CZ 2.73Å; E301-R315 IonicContact OE1-NE 2.73Å; E301-R315 IonicContact OE1-NH1 3.69Å; E301-R315 PolarHBondContact OE1-NH1 2.86Å; E301-R315 IonicContact OE2-NH1 2.73Å; E301-R315 PolarHBondContact OE2-NH1 3.05Å; E301-Y317 HydrophobicContact CB-CD2 4Å; E301-Y317 HydrophobicContact CB-CE2 4.25Å; E301-L329 HydrophobicContact CB-CD1 4.5Å; E301-L329 HydrophobicContact CG-CD1 3.77Å
302K95.5Very high91.7Very high146 Ų14636.8 Ų36.864%0.63519%0.191SC*.Hα-helixtrans-61.9-35.2174.5-176.8176.2-179179.50112.8S298 A300 N305S298-K302 VanDerWaalsContact O-CB 3.22Å; S298-K302 WeakPolarHBondContact O-CB 3Å; S298-K302 PolarHBondContact O-N 3.17Å; A300-K302 PolarHBondContact O-N 3.3Å; K302-N305 PolarHBondContact O-OD1 3.45Å
303H95.2Very high91.2Very high106 Ų10637.6 Ų37.649%0.49119%0.192SC..Hα-helixtrans-72.9-39177.2-176.279.4000112.1K299 A300 E301 R332K299-H303 PolarHBondContact O-N 3.21Å; K299-H303 VanDerWaalsContact O-N 3.14Å; A300-H303 PolarHBondContact O-N 2.95Å; E301-H303 VanDerWaalsContact C-N 3.29Å; E301-H303 PolarHBondContact O-N 3.32Å; H303-R332 PolarHBondContact CD2-NE 3.16Å; H303-R332 PolarHBondContact NE2-NE 3.09Å; H303-R332 PolarHBondContact NE2-NH2 3.22Å
304C96.2Very high90.8Very high12 Ų1243.3 Ų43.38%0.08122%0.222CC..Hα-helixtrans-90.8-9-176.2-59.70000113.9A300 E301 C306 C328 L329A300-C304 WeakPolarHBondContact O-CB 3.12Å; A300-C304 PolarHBondContact O-N 3.14Å; A300-C304 PolarHBondContact O-SG 3.24Å; A300-C304 VanDerWaalsContact O-SG 3.36Å; E301-C304 PolarHBondContact O-N 3.08Å; C304-C306 PolarHBondContact O-N 3.41Å; C304-C328 VanDerWaalsContact CA-SG 3.51Å; C304-C328 HydrophobicContact CB-CB 3.94Å; C304-C328 WeakPolarHBondContact CB-SG 3.29Å; C304-C328 WeakPolarHBondContact SG-CB 3.16Å; C304-C328 CovalentContact SG-SG 2.04Å; C304-C328 PolarHBondContact SG-SG 3.37Å; C304-L329 PolarHBondContact SG-N 2.91Å; C304-L329 VanDerWaalsContact SG-N 3.38Å
305N96.2Very high90.5Very high103 Ų10343.2 Ų43.255%0.55122%0.219SC*.THydrogen-bonded Turntrans52.334-173.6-68.2-37.8000113.7E301 K302E301-N305 WeakPolarHBondContact O-CA 2.99Å; E301-N305 PolarHBondContact O-N 2.92Å; K302-N305 PolarHBondContact O-OD1 3.45Å
306C95.5Very high90.3Very high1 Ų148.6 Ų48.61%0.00724%0.237CC..  trans-151.9155.9178.970.90000110.1E301 C304 P318 C320E301-C306 VanDerWaalsContact CA-O 3.27Å; E301-C306 WeakPolarHBondContact CA-O 2.84Å; E301-C306 VanDerWaalsContact CB-O 3.3Å; E301-C306 WeakPolarHBondContact CB-O 3.33Å; E301-C306 WeakPolarHBondContact CG-O 3.16Å; E301-C306 PolarHBondContact O-N 3.44Å; C304-C306 PolarHBondContact O-N 3.41Å; C306-P318 CarbonylContact C-O 3.58Å; C306-P318 WeakPolarHBondContact CA-O 3.18Å; C306-C320 HydrophobicContact CB-CB 3.8Å; C306-C320 WeakPolarHBondContact CB-SG 3.41Å; C306-C320 VanDerWaalsContact SG-CA 3.58Å; C306-C320 WeakPolarHBondContact SG-CB 3.15Å; C306-C320 CovalentContact SG-SG 2.03Å; C306-C320 PolarHBondContact SG-SG 3.17Å
307S94.5Very high90.4Very high2 Ų250.6 Ų50.61%0.01424%0.243CC..BIsolated β-bridgetrans-109.3155.3-178.7-47.90000112.3E301 M309 R315 Y317 P318 P319 C320E301-S307 WeakPolarHBondContact OE1-CA 3.38Å; E301-S307 VanDerWaalsContact OE1-CB 3.29Å; E301-S307 WeakPolarHBondContact OE1-CB 3.28Å; S307-M309 PolarHBondContact O-N 2.94Å; S307-R315 VanDerWaalsContact CB-CB 3.44Å; S307-R315 VanDerWaalsContact OG-CB 3.24Å; S307-R315 WeakPolarHBondContact OG-CB 3.38Å; S307-Y317 WeakPolarHBondContact CB-O 3.25Å; S307-Y317 WeakPolarHBondContact OG-CA 3.47Å; S307-Y317 WeakPolarHBondContact OG-CB 3.33Å; S307-Y317 PolarHBondContact OG-N 2.9Å; S307-Y317 VanDerWaalsContact OG-N 3.15Å; S307-Y317 PolarHBondContact OG-O 3.43Å; S307-P318 PolarHBondContact N-O 3.41Å; S307-P319 CarbonylContact O-C 3.5Å; S307-P319 WeakPolarHBondContact O-CA 3.39Å; S307-C320 PolarHBondContact O-N 2.81Å; S307-C320 PolarHBondContact O-SG 3.3Å
308H92.1Very high90.5Very high20 Ų2053.1 Ų53.19%0.09326%0.264CS..  trans-61.9134176.6-169.9-152.2000111.6Y297 E301 A310 F325 L329Y297-H308 HydrophobicContact CD1-CB 3.97Å; Y297-H308 HydrophobicContact CE1-CB 3.67Å; Y297-H308 AromaticContact CE1-CG 3.84Å; Y297-H308 AromaticContact CE1-ND1 3.88Å; Y297-H308 AromaticContact CZ-ND1 3.82Å; Y297-H308 PolarHBondContact OH-ND1 3Å; E301-H308 PolarHBondContact OE1-N 3.38Å; E301-H308 VanDerWaalsContact OE1-N 3.1Å; H308-A310 PolarHBondContact O-N 3.44Å; H308-F325 AromaticContact CD2-CD2 3.67Å; H308-F325 AromaticContact CD2-CE2 3.33Å; H308-F325 WeakPolarHBondContact CD2-CE2 3.25Å; H308-F325 AromaticContact NE2-CE2 3.34Å; H308-F325 VanDerWaalsContact NE2-CE2 3.34Å; H308-F325 WeakPolarHBondContact NE2-CE2 3.12Å; H308-F325 AromaticContact NE2-CZ 3.87Å; H308-L329 HydrophobicContact CB-CD2 3.86Å
309M89.6Confident90.5Very high14 Ų1454 Ų547%0.06927%0.268CS..SBendtrans-60.4-35.6-179.8-173.372.9-142.300112.3A114 F115 F154 V158 M189 S307 A311 P319A114-M309 HydrophobicContact CB-CB 4.48Å; F115-M309 HydrophobicContact CD1-CG 4.09Å; F115-M309 HydrophobicContact CD2-CG 4.4Å; F115-M309 HydrophobicContact CE1-CG 3.69Å; F115-M309 HydrophobicContact CE2-CG 4.04Å; F115-M309 HydrophobicContact CG-CG 4.44Å; F115-M309 HydrophobicContact CZ-CG 3.68Å; F154-M309 HydrophobicContact CD1-SD 4.45Å; F154-M309 HydrophobicContact CE1-SD 4.23Å; V158-M309 HydrophobicContact CB-CE 3.85Å; V158-M309 HydrophobicContact CB-SD 4.3Å; V158-M309 HydrophobicContact CG1-CE 3.34Å; V158-M309 HydrophobicContact CG1-CG 4.5Å; V158-M309 HydrophobicContact CG1-SD 4.08Å; V158-M309 HydrophobicContact CG2-SD 4.37Å; M189-M309 HydrophobicContact CE-CE 3.74Å; M189-M309 HydrophobicContact CG-CE 3.79Å; M189-M309 HydrophobicContact CG-CG 4.43Å; M189-M309 WeakPolarHBondContact CG-O 3.38Å; M189-M309 HydrophobicContact SD-CE 4.08Å; S307-M309 PolarHBondContact O-N 2.94Å; M309-A311 VanDerWaalsContact C-N 3.26Å; M309-A311 PolarHBondContact O-N 3.17Å; M309-A311 VanDerWaalsContact O-N 3.07Å; M309-P319 HydrophobicContact SD-CB 3.6Å; M309-P319 VanDerWaalsContact SD-CB 3.6Å; M309-P319 HydrophobicContact SD-CG 4.16Å
310A87.1Confident90.7Very high17 Ų1750 Ų5014%0.1425%0.251CS..  trans-85.755.8-177.900000112.5F115 T190 H308F115-A310 HydrophobicContact CD1-CB 4.23Å; T190-A310 VanDerWaalsContact C-CB 3.4Å; T190-A310 WeakPolarHBondContact O-CB 3.21Å; H308-A310 PolarHBondContact O-N 3.44Å
311A83.4Confident90.7Very high15 Ų1552.2 Ų52.212%0.12426%0.263CS..  trans-110.6124.4176.600000111.1M189 M309 Y313 R315M189-A311 CarbonylContact O-C 3.48Å; M309-A311 VanDerWaalsContact C-N 3.26Å; M309-A311 PolarHBondContact O-N 3.17Å; M309-A311 VanDerWaalsContact O-N 3.07Å; A311-Y313 PolarHBondContact O-N 3.5Å; A311-R315 HydrophobicContact CB-CG 3.6Å
312S77.7Confident90.7Very high28 Ų2852.2 Ų52.220%0.19626%0.263CS..SBendtrans-83.720-179.361.80000113.7M189M189-S312 WeakPolarHBondContact O-CA 3.26Å; M189-S312 PolarHBondContact O-N 2.81Å
313Y80.9Confident90.6Very high50 Ų5046.9 Ų46.920%0.19624%0.241CC..SBendtrans-160.1161.8-17760.3-84.6000109.6S290 D293 D294 A311 R315S290-Y313 VanDerWaalsContact CA-CE1 3.48Å; S290-Y313 VanDerWaalsContact CB-CE1 3.49Å; S290-Y313 WeakPolarHBondContact O-CE1 3.15Å; S290-Y313 PolarHBondContact O-OH 2.9Å; S290-Y313 WeakPolarHBondContact OG-CD1 2.93Å; D293-Y313 VanDerWaalsContact C-OH 3.32Å; D293-Y313 HydrophobicContact CB-CE1 4.4Å; D294-Y313 WeakPolarHBondContact CA-OH 3.24Å; D294-Y313 HydrophobicContact CB-CE2 3.97Å; D294-Y313 WeakPolarHBondContact CB-OH 3.47Å; D294-Y313 PolarHBondContact N-OH 2.83Å; A311-Y313 PolarHBondContact O-N 3.5Å; Y313-R315 HydrophobicContact CE2-CG 4.27Å; Y313-R315 VanDerWaalsContact CZ-CZ 3.47Å; Y313-R315 PolarHBondContact O-N 3.36Å; Y313-R315 PolarHBondContact OH-NE 3.14Å; Y313-R315 VanDerWaalsContact OH-NE 3.12Å; Y313-R315 PolarHBondContact OH-NH1 2.82Å; Y313-R315 PolarHBondContact OH-NH2 2.84Å
314D81.4Confident90.6Very high163 Ų16344.9 Ų44.987%0.87223%0.232SC*.  trans-66.9125.7-178.1-65.1-27.6000111.6
315R85.5Confident90.6Very high38 Ų3844.8 Ų44.814%0.14323%0.231CC..  trans-102159.8-179.7-68.1-79.8-168.1153.6-2.8111.4D293 D294 E301 S307 A311 Y313 Y317D293-R315 PolarHBondContact O-NH1 3.46Å; D293-R315 PolarHBondContact O-NH2 2.75Å; D293-R315 VanDerWaalsContact O-NH2 3.13Å; D294-R315 IonicContact OD1-NH1 3.72Å; E301-R315 VanDerWaalsContact CD-NH1 3.33Å; E301-R315 IonicContact OE1-CZ 2.73Å; E301-R315 IonicContact OE1-NE 2.73Å; E301-R315 IonicContact OE1-NH1 3.69Å; E301-R315 PolarHBondContact OE1-NH1 2.86Å; E301-R315 IonicContact OE2-NH1 2.73Å; E301-R315 PolarHBondContact OE2-NH1 3.05Å; S307-R315 VanDerWaalsContact CB-CB 3.44Å; S307-R315 VanDerWaalsContact OG-CB 3.24Å; S307-R315 WeakPolarHBondContact OG-CB 3.38Å; A311-R315 HydrophobicContact CB-CG 3.6Å; Y313-R315 HydrophobicContact CE2-CG 4.27Å; Y313-R315 VanDerWaalsContact CZ-CZ 3.47Å; Y313-R315 PolarHBondContact O-N 3.36Å; Y313-R315 PolarHBondContact OH-NE 3.14Å; Y313-R315 VanDerWaalsContact OH-NE 3.12Å; Y313-R315 PolarHBondContact OH-NH1 2.82Å; Y313-R315 PolarHBondContact OH-NH2 2.84Å; R315-Y317 VanDerWaalsContact C-N 3.33Å; R315-Y317 PolarHBondContact O-N 2.93Å
316R88.9Confident90.4Very high126 Ų12641 Ų4148%0.47521%0.21SC..SBendtrans-67.2-29.2-176.6-74.1166.4-79.6-179-8.5114.3D294 S298D294-R316 PolarHBondContact O-NH2 2.78Å; D294-R316 IonicContact OD1-CZ 3.6Å; D294-R316 IonicContact OD1-NE 3.97Å; D294-R316 IonicContact OD1-NH2 2.62Å; D294-R316 PolarHBondContact OD1-NH2 3.31Å; D294-R316 IonicContact OD2-CZ 2.68Å; D294-R316 IonicContact OD2-NE 3.31Å; D294-R316 IonicContact OD2-NH2 2.74Å; D294-R316 PolarHBondContact OD2-NH2 3.46Å; S298-R316 VanDerWaalsContact CB-NH2 3.31Å; S298-R316 PolarHBondContact OG-NH1 3.49Å; S298-R316 PolarHBondContact OG-NH2 2.83Å
317Y93.7Very high90.4Very high65 Ų6546.4 Ų46.426%0.25523%0.231SC..SBendtrans-120.7155.7-176.3-56.5-84.9000110.6E301 S307 R315E301-Y317 HydrophobicContact CB-CD2 4Å; E301-Y317 HydrophobicContact CB-CE2 4.25Å; S307-Y317 WeakPolarHBondContact CB-O 3.25Å; S307-Y317 WeakPolarHBondContact OG-CA 3.47Å; S307-Y317 WeakPolarHBondContact OG-CB 3.33Å; S307-Y317 PolarHBondContact OG-N 2.9Å; S307-Y317 VanDerWaalsContact OG-N 3.15Å; S307-Y317 PolarHBondContact OG-O 3.43Å; R315-Y317 VanDerWaalsContact C-N 3.33Å; R315-Y317 PolarHBondContact O-N 2.93Å
318P93.5Very high90.4Very high91 Ų9147.8 Ų47.859%0.59124%0.241SC*.PPolyproline II helixtrans-58.9157.4173.226.1-35.8000111.7C306 S307 C320C306-P318 CarbonylContact C-O 3.58Å; C306-P318 WeakPolarHBondContact CA-O 3.18Å; S307-P318 PolarHBondContact N-O 3.41Å; P318-C320 PolarHBondContact O-N 3.06Å
319P93.7Very high90.6Very high51 Ų5146.9 Ų46.933%0.33124%0.237SC..BIsolated β-bridgetrans-57.5134.5179.2-24.233.9000112.3S307 M309 D321S307-P319 CarbonylContact O-C 3.5Å; S307-P319 WeakPolarHBondContact O-CA 3.39Å; M309-P319 HydrophobicContact SD-CB 3.6Å; M309-P319 VanDerWaalsContact SD-CB 3.6Å; M309-P319 HydrophobicContact SD-CG 4.16Å; P319-D321 PolarHBondContact O-N 3.1Å
320C94.9Very high90.7Very high1 Ų149.1 Ų49.11%0.00725%0.249CC..PPolyproline II helixtrans-61.6132.5172.1-62.20000109.8F154 C306 S307 P318 Q324 F325F154-C320 WeakPolarHBondContact CE1-O 3.11Å; C306-C320 HydrophobicContact CB-CB 3.8Å; C306-C320 WeakPolarHBondContact CB-SG 3.41Å; C306-C320 VanDerWaalsContact SG-CA 3.58Å; C306-C320 WeakPolarHBondContact SG-CB 3.15Å; C306-C320 CovalentContact SG-SG 2.03Å; C306-C320 PolarHBondContact SG-SG 3.17Å; S307-C320 PolarHBondContact O-N 2.81Å; S307-C320 PolarHBondContact O-SG 3.3Å; P318-C320 PolarHBondContact O-N 3.06Å; C320-Q324 HydrophobicContact CB-CB 4.01Å; C320-F325 HydrophobicContact CB-CB 4.26Å
321D95Very high91.1Very high47 Ų4751.9 Ų51.925%0.25126%0.26SS..PPolyproline II helixtrans-64.7169.1163.274.143.9000110.5F154 P319 N323 Q324 F325F154-D321 HydrophobicContact CB-CB 4.2Å; F154-D321 HydrophobicContact CD1-CB 4.45Å; F154-D321 HydrophobicContact CD2-CB 3.81Å; F154-D321 HydrophobicContact CE2-CB 4.29Å; F154-D321 HydrophobicContact CG-CB 3.9Å; P319-D321 PolarHBondContact O-N 3.1Å; D321-N323 VanDerWaalsContact C-N 3.28Å; D321-N323 PolarHBondContact O-N 3.04Å; D321-N323 VanDerWaalsContact OD1-CA 3.32Å; D321-N323 WeakPolarHBondContact OD1-CA 3.27Å; D321-N323 VanDerWaalsContact OD1-CB 3.31Å; D321-N323 WeakPolarHBondContact OD1-CB 3.47Å; D321-N323 PolarHBondContact OD1-N 3.09Å; D321-Q324 VanDerWaalsContact N-OE1 3.09Å; D321-Q324 PolarHBondContact O-N 3.04Å; D321-Q324 PolarHBondContact OD1-N 2.71Å; D321-F325 WeakPolarHBondContact O-CB 3.48Å; D321-F325 PolarHBondContact O-N 2.72Å
322T94.3Very high91.5Very high1 Ų155.7 Ų55.71%0.00627%0.271CS..Hα-helixtrans-58.8-38.6-179.1-62.40000113.4Y110 I111 L113 F325 L326Y110-T322 HydrophobicContact CD1-CG2 4.02Å; Y110-T322 HydrophobicContact CD2-CG2 3.8Å; Y110-T322 VanDerWaalsContact CE1-CB 3.5Å; Y110-T322 HydrophobicContact CE1-CG2 3.72Å; Y110-T322 HydrophobicContact CE2-CG2 3.46Å; Y110-T322 VanDerWaalsContact CE2-CG2 3.46Å; Y110-T322 HydrophobicContact CG-CG2 4.07Å; Y110-T322 VanDerWaalsContact CZ-CG2 3.4Å; Y110-T322 VanDerWaalsContact O-CG2 3.26Å; Y110-T322 WeakPolarHBondContact O-CG2 3.48Å; Y110-T322 PolarHBondContact O-OG1 2.85Å; I111-T322 WeakPolarHBondContact CA-OG1 3.47Å; I111-T322 PolarHBondContact O-OG1 3.33Å; L113-T322 HydrophobicContact CB-CG2 3.81Å; T322-F325 PolarHBondContact O-N 3.42Å; T322-L326 HydrophobicContact CG2-CD1 3.8Å; T322-L326 HydrophobicContact CG2-CG 4.28Å; T322-L326 WeakPolarHBondContact O-CB 3.44Å; T322-L326 VanDerWaalsContact O-CG 3.25Å; T322-L326 WeakPolarHBondContact O-CG 3.3Å; T322-L326 PolarHBondContact O-N 3.12Å
323N94.2Very high92.2Very high33 Ų3355.3 Ų55.318%0.17627%0.267CS..Hα-helixtrans-69.3-45.3-179.1177.887.9000110.7Y110 K140 D321 F325 L326 Y327Y110-N323 WeakPolarHBondContact OH-CB 3.35Å; Y110-N323 PolarHBondContact OH-N 3.47Å; K140-N323 HydrophobicContact CD-CB 4.16Å; K140-N323 WeakPolarHBondContact CD-OD1 3.49Å; K140-N323 WeakPolarHBondContact CE-OD1 3.22Å; K140-N323 HydrophobicContact CG-CB 4.45Å; K140-N323 VanDerWaalsContact NZ-CG 3.33Å; K140-N323 PolarHBondContact NZ-ND2 2.83Å; K140-N323 PolarHBondContact NZ-OD1 3.16Å; D321-N323 VanDerWaalsContact C-N 3.28Å; D321-N323 PolarHBondContact O-N 3.04Å; D321-N323 VanDerWaalsContact OD1-CA 3.32Å; D321-N323 WeakPolarHBondContact OD1-CA 3.27Å; D321-N323 VanDerWaalsContact OD1-CB 3.31Å; D321-N323 WeakPolarHBondContact OD1-CB 3.47Å; D321-N323 PolarHBondContact OD1-N 3.09Å; N323-F325 VanDerWaalsContact C-N 3.32Å; N323-L326 PolarHBondContact O-N 3.47Å; N323-Y327 WeakPolarHBondContact O-CB 3.27Å; N323-Y327 WeakPolarHBondContact O-CD2 3.46Å; N323-Y327 PolarHBondContact O-N 3.39Å; N323-Y327 VanDerWaalsContact OD1-CD2 3.27Å; N323-Y327 WeakPolarHBondContact OD1-CD2 3.2Å
324Q95.3Very high92.7Very high65 Ų6555.5 Ų55.530%0.30428%0.279SS..Hα-helixtrans-60.6-42.5174.3-69.4179.3-49.500111.3C320 D321 C328 L329C320-Q324 HydrophobicContact CB-CB 4.01Å; D321-Q324 VanDerWaalsContact N-OE1 3.09Å; D321-Q324 PolarHBondContact O-N 3.04Å; D321-Q324 PolarHBondContact OD1-N 2.71Å; Q324-C328 CarbonylContact O-C 3.54Å; Q324-C328 WeakPolarHBondContact O-CA 3.1Å; Q324-C328 VanDerWaalsContact O-CB 3.25Å; Q324-C328 WeakPolarHBondContact O-CB 3.34Å; Q324-C328 PolarHBondContact O-N 3.07Å; Q324-L329 PolarHBondContact O-N 2.94Å
325F95Very high93.1Very high9 Ų951.1 Ų51.14%0.03925%0.253CS..Iπ-helixtrans-60.3-52.2176.2176.2-103.3000111.4L113 H308 C320 D321 T322 N323 L329 N330L113-F325 WeakPolarHBondContact O-CD1 3.27Å; L113-F325 WeakPolarHBondContact O-CE1 3.41Å; H308-F325 AromaticContact CD2-CD2 3.67Å; H308-F325 AromaticContact CD2-CE2 3.33Å; H308-F325 WeakPolarHBondContact CD2-CE2 3.25Å; H308-F325 AromaticContact NE2-CE2 3.34Å; H308-F325 VanDerWaalsContact NE2-CE2 3.34Å; H308-F325 WeakPolarHBondContact NE2-CE2 3.12Å; H308-F325 AromaticContact NE2-CZ 3.87Å; C320-F325 HydrophobicContact CB-CB 4.26Å; D321-F325 WeakPolarHBondContact O-CB 3.48Å; D321-F325 PolarHBondContact O-N 2.72Å; T322-F325 PolarHBondContact O-N 3.42Å; N323-F325 VanDerWaalsContact C-N 3.32Å; F325-L329 HydrophobicContact CD2-CB 4.46Å; F325-L329 HydrophobicContact CD2-CD2 3.96Å; F325-L329 HydrophobicContact CE2-CD2 4.37Å; F325-N330 HydrophobicContact CE2-CB 4.47Å; F325-N330 HydrophobicContact CZ-CB 4.32Å; F325-N330 WeakPolarHBondContact O-CB 3.21Å; F325-N330 PolarHBondContact O-N 2.89Å
326L93Very high93.2Very high23 Ų2350.7 Ų50.712%0.1225%0.254CS..Iπ-helixtrans-69.6-46.2-175.1-69.1174.8000113.2L113 L117 L136 T322 N323 I331L113-L326 HydrophobicContact CB-CD1 4.43Å; L113-L326 HydrophobicContact CB-CD2 4.47Å; L113-L326 HydrophobicContact CD1-CD1 3.9Å; L117-L326 HydrophobicContact CD1-CD2 3.85Å; L136-L326 HydrophobicContact CD2-CD1 4.21Å; T322-L326 HydrophobicContact CG2-CD1 3.8Å; T322-L326 HydrophobicContact CG2-CG 4.28Å; T322-L326 WeakPolarHBondContact O-CB 3.44Å; T322-L326 VanDerWaalsContact O-CG 3.25Å; T322-L326 WeakPolarHBondContact O-CG 3.3Å; T322-L326 PolarHBondContact O-N 3.12Å; N323-L326 PolarHBondContact O-N 3.47Å; L326-I331 WeakPolarHBondContact O-CG1 3.34Å
327Y94.2Very high93Very high116 Ų11648.1 Ų48.146%0.45525%0.252SS..Iπ-helixtrans-100.4-8.5-169.5-65-68.7000114.5N323N323-Y327 WeakPolarHBondContact O-CB 3.27Å; N323-Y327 WeakPolarHBondContact O-CD2 3.46Å; N323-Y327 PolarHBondContact O-N 3.39Å; N323-Y327 VanDerWaalsContact OD1-CD2 3.27Å; N323-Y327 WeakPolarHBondContact OD1-CD2 3.2Å
328C96.2Very high92.7Very high31 Ų3154.2 Ų54.221%0.20928%0.275CS..Iπ-helixtrans-123.4-68.8175.3-167.70000111.1C304 Q324 N330 I331 R332C304-C328 VanDerWaalsContact CA-SG 3.51Å; C304-C328 HydrophobicContact CB-CB 3.94Å; C304-C328 WeakPolarHBondContact CB-SG 3.29Å; C304-C328 WeakPolarHBondContact SG-CB 3.16Å; C304-C328 CovalentContact SG-SG 2.04Å; C304-C328 PolarHBondContact SG-SG 3.37Å; Q324-C328 CarbonylContact O-C 3.54Å; Q324-C328 WeakPolarHBondContact O-CA 3.1Å; Q324-C328 VanDerWaalsContact O-CB 3.25Å; Q324-C328 WeakPolarHBondContact O-CB 3.34Å; Q324-C328 PolarHBondContact O-N 3.07Å; C328-N330 PolarHBondContact O-N 3.36Å; C328-I331 PolarHBondContact O-N 3.2Å; C328-R332 WeakPolarHBondContact O-CB 3.33Å; C328-R332 VanDerWaalsContact O-CG 3.27Å; C328-R332 WeakPolarHBondContact O-CG 3.24Å; C328-R332 PolarHBondContact O-N 2.97Å
329L95.1Very high92Very high1 Ų155 Ų551%0.00527%0.274CS..Iπ-helixtrans-62.1-51.4-167.8-171.473.2000111.8Y297 A300 E301 C304 H308 Q324 F325 R332 L333Y297-L329 HydrophobicContact CD1-CD1 4.32Å; Y297-L329 HydrophobicContact CD1-CD2 4.05Å; Y297-L329 HydrophobicContact CD1-CG 4.36Å; Y297-L329 HydrophobicContact CE1-CD2 4Å; Y297-L329 HydrophobicContact CE1-CG 4.47Å; A300-L329 HydrophobicContact CB-CD1 3.78Å; E301-L329 HydrophobicContact CB-CD1 4.5Å; E301-L329 HydrophobicContact CG-CD1 3.77Å; C304-L329 PolarHBondContact SG-N 2.91Å; C304-L329 VanDerWaalsContact SG-N 3.38Å; H308-L329 HydrophobicContact CB-CD2 3.86Å; Q324-L329 PolarHBondContact O-N 2.94Å; F325-L329 HydrophobicContact CD2-CB 4.46Å; F325-L329 HydrophobicContact CD2-CD2 3.96Å; F325-L329 HydrophobicContact CE2-CD2 4.37Å; L329-R332 PolarHBondContact O-N 3.28Å; L329-L333 VanDerWaalsContact O-CB 3.23Å; L329-L333 WeakPolarHBondContact O-CB 3.48Å; L329-L333 PolarHBondContact O-N 3.19Å
330N92.8Very high90.9Very high61 Ų6155.2 Ų55.233%0.32627%0.27SS..Hα-helixtrans-66.1-42.9-177-171.78.7000111.8F325 C328 L333 A334F325-N330 HydrophobicContact CE2-CB 4.47Å; F325-N330 HydrophobicContact CZ-CB 4.32Å; F325-N330 WeakPolarHBondContact O-CB 3.21Å; F325-N330 PolarHBondContact O-N 2.89Å; C328-N330 PolarHBondContact O-N 3.36Å; N330-L333 PolarHBondContact O-N 3.44Å; N330-A334 VanDerWaalsContact O-CB 3.32Å; N330-A334 WeakPolarHBondContact O-CB 3.49Å; N330-A334 PolarHBondContact O-N 3.4Å
331I93.8Very high89.5Confident75 Ų7558.5 Ų58.539%0.38529%0.293SS..Hα-helixtrans-62.4-48.5177.3-65.7178.6000110.5L326 C328 L333 A334 E335L326-I331 WeakPolarHBondContact O-CG1 3.34Å; C328-I331 PolarHBondContact O-N 3.2Å; I331-L333 PolarHBondContact O-N 2.87Å; I331-A334 PolarHBondContact O-N 3.38Å; I331-E335 WeakPolarHBondContact O-CG 3.3Å; I331-E335 PolarHBondContact O-N 2.83Å
332R93.6Very high88.8Confident94 Ų9464.3 Ų64.336%0.35531%0.313SS..Hα-helixtrans-64.5-40.5179-69.4-55.3-171.6-159.6-3.2112.3A300 H303 C328 L329 E335 L336A300-R332 HydrophobicContact CB-CB 4.05Å; H303-R332 PolarHBondContact CD2-NE 3.16Å; H303-R332 PolarHBondContact NE2-NE 3.09Å; H303-R332 PolarHBondContact NE2-NH2 3.22Å; C328-R332 WeakPolarHBondContact O-CB 3.33Å; C328-R332 VanDerWaalsContact O-CG 3.27Å; C328-R332 WeakPolarHBondContact O-CG 3.24Å; C328-R332 PolarHBondContact O-N 2.97Å; L329-R332 PolarHBondContact O-N 3.28Å; R332-E335 WeakPolarHBondContact CD-OE2 3.08Å; R332-E335 IonicContact CZ-OE2 3.62Å; R332-E335 IonicContact NE-OE2 2.88Å; R332-E335 IonicContact NH1-OE1 3.05Å; R332-E335 IonicContact NH1-OE2 3.48Å; R332-E335 PolarHBondContact NH1-OE2 2.87Å; R332-E335 PolarHBondContact O-N 3.02Å; R332-L336 WeakPolarHBondContact O-CB 3.37Å; R332-L336 VanDerWaalsContact O-CG 3.24Å; R332-L336 WeakPolarHBondContact O-CG 3.3Å; R332-L336 PolarHBondContact O-N 3.42Å
333L92.2Very high88.3Confident21 Ų2170.7 Ų70.711%0.1134%0.342CS..Hα-helixtrans-61.8-46.5174.8-178.662.5000111V296 Y297 A300 L329 N330 I331 E335 L336 V337V296-L333 HydrophobicContact CG1-CD1 3.67Å; Y297-L333 HydrophobicContact CD1-CD2 4.25Å; Y297-L333 HydrophobicContact CD2-CD2 4.47Å; Y297-L333 HydrophobicContact CE1-CD2 3.62Å; Y297-L333 HydrophobicContact CE2-CD2 3.9Å; Y297-L333 VanDerWaalsContact CZ-CD2 3.43Å; A300-L333 HydrophobicContact CB-CB 4.44Å; L329-L333 VanDerWaalsContact O-CB 3.23Å; L329-L333 WeakPolarHBondContact O-CB 3.48Å; L329-L333 PolarHBondContact O-N 3.19Å; N330-L333 PolarHBondContact O-N 3.44Å; I331-L333 PolarHBondContact O-N 2.87Å; L333-E335 VanDerWaalsContact C-N 3.35Å; L333-E335 PolarHBondContact O-N 2.95Å; L333-L336 PolarHBondContact O-N 3.11Å; L333-V337 HydrophobicContact CD1-CG2 4.17Å; L333-V337 HydrophobicContact CG-CG2 4.39Å; L333-V337 VanDerWaalsContact O-CG2 3.24Å; L333-V337 WeakPolarHBondContact O-CG2 3.09Å; L333-V337 PolarHBondContact O-N 3.44Å
334A91Very high87.9Confident54 Ų5469.7 Ų69.745%0.44634%0.337SS..Hα-helixtrans-62.2-40.1177.500000112.6N330 I331 R338N330-A334 VanDerWaalsContact O-CB 3.32Å; N330-A334 WeakPolarHBondContact O-CB 3.49Å; N330-A334 PolarHBondContact O-N 3.4Å; I331-A334 PolarHBondContact O-N 3.38Å; A334-R338 VanDerWaalsContact O-CB 3.26Å; A334-R338 WeakPolarHBondContact O-CB 3.47Å; A334-R338 PolarHBondContact O-N 3.19Å
335E89.9Confident87.6Confident70 Ų7070 Ų7033%0.32734%0.337SS..Hα-helixtrans-61.9-44.4173.5-75.2175.4173.100112I331 R332 L333 R338 N339I331-E335 WeakPolarHBondContact O-CG 3.3Å; I331-E335 PolarHBondContact O-N 2.83Å; R332-E335 WeakPolarHBondContact CD-OE2 3.08Å; R332-E335 IonicContact CZ-OE2 3.62Å; R332-E335 IonicContact NE-OE2 2.88Å; R332-E335 IonicContact NH1-OE1 3.05Å; R332-E335 IonicContact NH1-OE2 3.48Å; R332-E335 PolarHBondContact NH1-OE2 2.87Å; R332-E335 PolarHBondContact O-N 3.02Å; L333-E335 VanDerWaalsContact C-N 3.35Å; L333-E335 PolarHBondContact O-N 2.95Å; E335-R338 PolarHBondContact O-N 2.86Å; E335-N339 WeakPolarHBondContact O-CB 3.49Å; E335-N339 VanDerWaalsContact O-CG 3.31Å; E335-N339 PolarHBondContact O-N 3.22Å
336L86.3Confident87.3Confident29 Ų2971.3 Ų71.315%0.15235%0.347CS..Hα-helixtrans-63.7-46.9177.3-72.6167.9000111.4K299 A300 R332 L333 R338 E340K299-L336 HydrophobicContact CB-CD1 3.71Å; K299-L336 HydrophobicContact CB-CD2 4.5Å; K299-L336 HydrophobicContact CD-CD1 4.49Å; K299-L336 HydrophobicContact CD-CD2 3.97Å; A300-L336 HydrophobicContact CB-CD1 4.16Å; R332-L336 WeakPolarHBondContact O-CB 3.37Å; R332-L336 VanDerWaalsContact O-CG 3.24Å; R332-L336 WeakPolarHBondContact O-CG 3.3Å; R332-L336 PolarHBondContact O-N 3.42Å; L333-L336 PolarHBondContact O-N 3.11Å; L336-R338 VanDerWaalsContact C-N 3.26Å; L336-R338 PolarHBondContact O-N 3.49Å; L336-E340 HydrophobicContact CD2-CG 4.05Å; L336-E340 WeakPolarHBondContact CD2-OE1 3.15Å; L336-E340 WeakPolarHBondContact O-CA 3.05Å; L336-E340 WeakPolarHBondContact O-CB 3.38Å; L336-E340 WeakPolarHBondContact O-CG 3.33Å; L336-E340 PolarHBondContact O-N 2.96Å
337V86.4Confident87.2Confident72 Ų7277.8 Ų77.844%0.43637%0.37SS..Hα-helixtrans-63.8-33.4179.1173.50000111.6L333 F345L333-V337 HydrophobicContact CD1-CG2 4.17Å; L333-V337 HydrophobicContact CG-CG2 4.39Å; L333-V337 VanDerWaalsContact O-CG2 3.24Å; L333-V337 WeakPolarHBondContact O-CG2 3.09Å; L333-V337 PolarHBondContact O-N 3.44Å; V337-F345 HydrophobicContact CB-CZ 4.38Å; V337-F345 HydrophobicContact CG1-CZ 4.11Å; V337-F345 HydrophobicContact CG2-CZ 4.05Å
338R85.8Confident87.1Confident194 Ų19472.3 Ų72.373%0.73235%0.349SS*.Hα-helixtrans-81.2-40.7-180-170.7-175.469.1136.70.3113.3A334 E335 L336A334-R338 VanDerWaalsContact O-CB 3.26Å; A334-R338 WeakPolarHBondContact O-CB 3.47Å; A334-R338 PolarHBondContact O-N 3.19Å; E335-R338 PolarHBondContact O-N 2.86Å; L336-R338 VanDerWaalsContact C-N 3.26Å; L336-R338 PolarHBondContact O-N 3.49Å
339N80.3Confident86.9Confident108 Ų10876.2 Ų76.258%0.57836%0.359SS*.Hα-helixtrans-92.8-32.2-173.2-66.3-8.6000112.4E335 S341E335-N339 WeakPolarHBondContact O-CB 3.49Å; E335-N339 VanDerWaalsContact O-CG 3.31Å; E335-N339 PolarHBondContact O-N 3.22Å; N339-S341 PolarHBondContact O-N 3.19Å
340E69.5Low86.6Confident55 Ų5580.5 Ų80.526%0.25739%0.385SS..SBendtrans-79125.6179.7-58.3-154.6161.800111.1K299 L336 F344K299-E340 IonicContact NZ-OE1 3.62Å; K299-E340 PolarHBondContact NZ-OE1 3.45Å; K299-E340 IonicContact NZ-OE2 3.11Å; K299-E340 PolarHBondContact NZ-OE2 3.04Å; L336-E340 HydrophobicContact CD2-CG 4.05Å; L336-E340 WeakPolarHBondContact CD2-OE1 3.15Å; L336-E340 WeakPolarHBondContact O-CA 3.05Å; L336-E340 WeakPolarHBondContact O-CB 3.38Å; L336-E340 WeakPolarHBondContact O-CG 3.33Å; L336-E340 PolarHBondContact O-N 2.96Å; E340-F344 HydrophobicContact CB-CB 3.77Å; E340-F344 HydrophobicContact CB-CG 4.27Å; E340-F344 WeakPolarHBondContact OE2-CB 3.25Å; E340-F344 WeakPolarHBondContact OE2-CD2 3.18Å; E340-F344 WeakPolarHBondContact OE2-CG 2.96Å
341S66.9Low86.5Confident69 Ų6983.3 Ų83.348%0.48340%0.397SS..  trans-69.4167.3-179.655.50000111.1N339 E343 F344N339-S341 PolarHBondContact O-N 3.19Å; S341-E343 PolarHBondContact O-N 3.11Å; S341-F344 PolarHBondContact O-N 2.91Å
342Y78.5Confident86.5Confident169 Ų16979.8 Ų79.866%0.66338%0.378SS*.Hα-helixtrans-33.1-31.8170.8176.3-96.6000115.1F344 S346Y342-F344 PolarHBondContact O-N 2.84Å; Y342-S346 WeakPolarHBondContact O-CB 3.38Å; Y342-S346 PolarHBondContact O-N 2.96Å
343E84Confident86.4Confident135 Ų13577.6 Ų77.663%0.63137%0.372SS*.Hα-helixtrans-57.8-40.8176.3-62.6-175.5179.700115.1S341 S346 R347S341-E343 PolarHBondContact O-N 3.11Å; E343-S346 PolarHBondContact O-N 3.4Å; E343-R347 WeakPolarHBondContact O-CB 3.46Å; E343-R347 PolarHBondContact O-N 3.49Å
344F87.4Confident86.3Confident13 Ų1377.8 Ų77.86%0.05738%0.375CS..Hα-helixtrans-65.1-52.8-179.5172.3-111.9000111.4V296 K299 E340 S341 Y342 S346 R347 C348V296-F344 HydrophobicContact CG2-CE1 4.37Å; K299-F344 HydrophobicContact CD-CE2 4.15Å; E340-F344 HydrophobicContact CB-CB 3.77Å; E340-F344 HydrophobicContact CB-CG 4.27Å; E340-F344 WeakPolarHBondContact OE2-CB 3.25Å; E340-F344 WeakPolarHBondContact OE2-CD2 3.18Å; E340-F344 WeakPolarHBondContact OE2-CG 2.96Å; S341-F344 PolarHBondContact O-N 2.91Å; Y342-F344 PolarHBondContact O-N 2.84Å; F344-S346 VanDerWaalsContact C-N 3.26Å; F344-S346 PolarHBondContact O-N 2.89Å; F344-R347 WeakPolarHBondContact O-CB 3.39Å; F344-R347 PolarHBondContact O-N 3.37Å; F344-R347 VanDerWaalsContact O-N 3.11Å; F344-C348 PolarHBondContact O-N 2.95Å
345F87.2Confident86.3Confident71 Ų7176.1 Ų76.131%0.31136%0.357SS..Hα-helixtrans-64.6-32.5175.8-66.3-72.9000111.9V296 V337 R349V296-F345 HydrophobicContact CG2-CD1 4.37Å; V296-F345 HydrophobicContact CG2-CE1 4.19Å; V337-F345 HydrophobicContact CB-CZ 4.38Å; V337-F345 HydrophobicContact CG1-CZ 4.11Å; V337-F345 HydrophobicContact CG2-CZ 4.05Å; F345-R349 WeakPolarHBondContact O-CB 3.49Å; F345-R349 VanDerWaalsContact O-CG 3.25Å; F345-R349 WeakPolarHBondContact O-CG 3.41Å; F345-R349 PolarHBondContact O-N 3.14Å; F345-R349 PolarHBondContact O-NE 2.02Å
346S88.8Confident86.5Confident36 Ų3673.3 Ų73.325%0.25235%0.345SS..Hα-helixtrans-63.3-43.6171.7-164.80000111.5Y342 E343 F344 R349 T350Y342-S346 WeakPolarHBondContact O-CB 3.38Å; Y342-S346 PolarHBondContact O-N 2.96Å; E343-S346 PolarHBondContact O-N 3.4Å; F344-S346 VanDerWaalsContact C-N 3.26Å; F344-S346 PolarHBondContact O-N 2.89Å; S346-R349 PolarHBondContact O-N 2.86Å; S346-T350 PolarHBondContact O-N 3.33Å; S346-T350 PolarHBondContact O-OG1 3.2Å
347R91.7Very high86.8Confident160 Ų16077.2 Ų77.260%0.60436%0.362SS*.Hα-helixtrans-62.1-46.3177.2-170.5-177-56.6-1803.3111.7E343 F344 R349 T350 Q351E343-R347 WeakPolarHBondContact O-CB 3.46Å; E343-R347 PolarHBondContact O-N 3.49Å; F344-R347 WeakPolarHBondContact O-CB 3.39Å; F344-R347 PolarHBondContact O-N 3.37Å; F344-R347 VanDerWaalsContact O-N 3.11Å; R347-R349 VanDerWaalsContact C-N 3.33Å; R347-R349 PolarHBondContact O-N 3.28Å; R347-T350 PolarHBondContact O-N 3.22Å; R347-Q351 WeakPolarHBondContact O-CB 3.37Å; R347-Q351 PolarHBondContact O-N 3.28Å
348C92.9Very high87Confident1 Ų176.5 Ų76.51%0.00735%0.353CS..Hα-helixtrans-61.2-41175.6-68.80000112L292 C295 F344 Q351 C352L292-C348 HydrophobicContact CD2-CB 4.21Å; C295-C348 HydrophobicContact CB-CB 3.7Å; C295-C348 WeakPolarHBondContact CB-SG 3.17Å; C295-C348 WeakPolarHBondContact SG-CA 3.47Å; C295-C348 WeakPolarHBondContact SG-CB 3.44Å; C295-C348 CovalentContact SG-SG 2.04Å; C295-C348 PolarHBondContact SG-SG 3.26Å; F344-C348 PolarHBondContact O-N 2.95Å; C348-Q351 PolarHBondContact O-N 3.43Å; C348-C352 VanDerWaalsContact O-CB 3.27Å; C348-C352 WeakPolarHBondContact O-CB 3.4Å; C348-C352 PolarHBondContact O-N 3.08Å; C348-C352 PolarHBondContact O-SG 3.06Å; C348-C352 VanDerWaalsContact O-SG 3.39Å
349R90.4Very high87.2Confident113 Ų11368.6 Ų68.643%0.42633%0.326SS..Hα-helixtrans-64.5-38.3175.5-74.9-178.5-64.8160.91.6113.1L292 F345 S346 R347L292-R349 HydrophobicContact CD2-CG 4.29Å; F345-R349 WeakPolarHBondContact O-CB 3.49Å; F345-R349 VanDerWaalsContact O-CG 3.25Å; F345-R349 WeakPolarHBondContact O-CG 3.41Å; F345-R349 PolarHBondContact O-N 3.14Å; F345-R349 PolarHBondContact O-NE 2.02Å; S346-R349 PolarHBondContact O-N 2.86Å; R347-R349 VanDerWaalsContact C-N 3.33Å; R347-R349 PolarHBondContact O-N 3.28Å
350T89.5Confident87.7Confident91 Ų9167.1 Ų67.156%0.55832%0.315SS*.Hα-helixtrans-72.3-35.2177.6-56.90000112S346 R347S346-T350 PolarHBondContact O-N 3.33Å; S346-T350 PolarHBondContact O-OG1 3.2Å; R347-T350 PolarHBondContact O-N 3.22Å
351Q91.7Very high88.8Confident120 Ų12065.9 Ų65.956%0.56131%0.309SS*.Hα-helixtrans-71.6-42.5175.5-177.4179.7-11.300111.8R347 C348 Q353R347-Q351 WeakPolarHBondContact O-CB 3.37Å; R347-Q351 PolarHBondContact O-N 3.28Å; C348-Q351 PolarHBondContact O-N 3.43Å; Q351-Q353 PolarHBondContact O-N 2.96Å; Q351-Q353 VanDerWaalsContact O-N 3.17Å
352C92.6Very high90.1Very high0 Ų065.7 Ų65.70%030%0.304CS..SBendtrans-89.679.8-178.1-60.40000111.5Y286 R288 C291 L292 C348Y286-C352 WeakPolarHBondContact OH-CA 3.29Å; R288-C352 HydrophobicContact CG-CB 4.46Å; R288-C352 PolarHBondContact NE-O 3.43Å; C291-C352 HydrophobicContact CB-CB 3.74Å; C291-C352 WeakPolarHBondContact CB-SG 3.16Å; C291-C352 PolarHBondContact O-SG 2.97Å; C291-C352 WeakPolarHBondContact SG-CA 3.43Å; C291-C352 WeakPolarHBondContact SG-CB 3.39Å; C291-C352 CovalentContact SG-SG 2.05Å; C291-C352 PolarHBondContact SG-SG 2.92Å; L292-C352 HydrophobicContact CD2-CB 3.81Å; L292-C352 HydrophobicContact CG-CB 3.87Å; L292-C352 PolarHBondContact N-SG 2.04Å; L292-C352 VanDerWaalsContact N-SG 3.38Å; C348-C352 VanDerWaalsContact O-CB 3.27Å; C348-C352 WeakPolarHBondContact O-CB 3.4Å; C348-C352 PolarHBondContact O-N 3.08Å; C348-C352 PolarHBondContact O-SG 3.06Å; C348-C352 VanDerWaalsContact O-SG 3.39Å
353Q91.5Very high90.8Very high48 Ų4859.4 Ų59.422%0.22428%0.284CS..PPolyproline II helixtrans-72.7143.4-179.8-66.5176.61.200111.7N278 L280 Y286 Q351N278-Q353 HydrophobicContact CB-CG 4.17Å; L280-Q353 HydrophobicContact CD1-CB 4.29Å; L280-Q353 HydrophobicContact CD2-CB 4.42Å; L280-Q353 HydrophobicContact CG-CB 3.88Å; Y286-Q353 WeakPolarHBondContact CE1-O 3.41Å; Y286-Q353 PolarHBondContact OH-N 3.28Å; Y286-Q353 PolarHBondContact OH-O 3.34Å; Q351-Q353 PolarHBondContact O-N 2.96Å; Q351-Q353 VanDerWaalsContact O-N 3.17Å
354P90.7Very high91.4Very high26 Ų2657 Ų5717%0.16928%0.279CS..PPolyproline II helixtrans-67.6163.1168.632.3-35.6000110.7F277 C279 L280F277-P354 HydrophobicContact CE2-CG 4.25Å; F277-P354 HydrophobicContact CZ-CG 3.77Å; C279-P354 CarbonylContact C-O 3.21Å; C279-P354 WeakPolarHBondContact CA-O 3.17Å; C279-P354 HydrophobicContact CB-CG 4.48Å; C279-P354 VanDerWaalsContact CB-O 3.29Å; C279-P354 WeakPolarHBondContact CB-O 3.31Å; L280-P354 PolarHBondContact N-O 2.77Å
355Y91.3Very high91.7Very high18 Ų1859 Ų597%0.07129%0.29CS..BIsolated β-bridgetrans-67.4148.6165.9-68.8-69.8000111K244 L280 E283 Y286 E357 Y358K244-Y355 HydrophobicContact CD-CD2 3.97Å; K244-Y355 HydrophobicContact CD-CE2 3.63Å; K244-Y355 HydrophobicContact CG-CE2 4.07Å; L280-Y355 HydrophobicContact CB-CD1 4.4Å; E283-Y355 HydrophobicContact CB-CE1 4.34Å; E283-Y355 PolarHBondContact O-OH 3.28Å; Y286-Y355 VanDerWaalsContact C-OH 3.25Å; Y286-Y355 WeakPolarHBondContact CA-OH 2.99Å; Y286-Y355 WeakPolarHBondContact CB-OH 3.03Å; Y286-Y355 HydrophobicContact CD1-CE1 4Å; Y286-Y355 AromaticContact CD1-CE2 3.81Å; Y286-Y355 HydrophobicContact CD1-CE2 3.81Å; Y286-Y355 AromaticContact CD1-CZ 3.53Å; Y286-Y355 PolarHBondContact N-OH 3.37Å; Y286-Y355 PolarHBondContact O-OH 3.46Å; Y355-E357 WeakPolarHBondContact CB-O 3.49Å; Y355-Y358 WeakPolarHBondContact O-CD1 3.25Å
356C93.1Very high92.1Very high11 Ų1158.5 Ų58.57%0.07430%0.295CS..SBendtrans-67.6-32.5168.1-60.20000111F270 C279 L280F270-C356 PolarHBondContact N-O 3.29Å; F270-C356 WeakPolarHBondContact O-CB 3.27Å; C279-C356 HydrophobicContact CB-CB 3.96Å; C279-C356 WeakPolarHBondContact CB-SG 3.36Å; C279-C356 PolarHBondContact O-SG 3.13Å; C279-C356 VanDerWaalsContact O-SG 3.38Å; C279-C356 WeakPolarHBondContact SG-CA 3.38Å; C279-C356 WeakPolarHBondContact SG-CB 3.5Å; C279-C356 CovalentContact SG-SG 2.04Å; C279-C356 PolarHBondContact SG-SG 3.04Å; L280-C356 PolarHBondContact O-N 3.39Å
357E91.6Very high92.4Very high111 Ų11161.8 Ų61.852%0.51931%0.305SS..EExtended strand (participates in β ladder)trans-125.2120.7178.8-61.9-174.1-158.600111.2K244 R267 Y268 E269 Y355K244-E357 PolarHBondContact NZ-O 3.21Å; R267-E357 IonicContact NH2-OE2 3.52Å; Y268-E357 VanDerWaalsContact O-CA 3.31Å; Y268-E357 WeakPolarHBondContact O-CA 3.46Å; E269-E357 HydrophobicContact CG-CG 4.3Å; Y355-E357 WeakPolarHBondContact CB-O 3.49Å
358Y90.7Very high92.6Very high58 Ų5860 Ų6023%0.22731%0.307CS..EExtended strand (participates in β ladder)trans-156.8156.1174.865.7-82.7000112.8K244 Y268 F270 Y355 Q360K244-Y358 VanDerWaalsContact NZ-CA 3.3Å; K244-Y358 VanDerWaalsContact NZ-CB 3.3Å; Y268-Y358 AromaticContact CD2-CD2 3.8Å; Y268-Y358 HydrophobicContact CD2-CD2 3.8Å; Y268-Y358 HydrophobicContact CD2-CE1 4.14Å; Y268-Y358 AromaticContact CD2-CE2 3.19Å; Y268-Y358 HydrophobicContact CD2-CE2 3.19Å; Y268-Y358 HydrophobicContact CD2-CG 4.47Å; Y268-Y358 AromaticContact CD2-CZ 3.39Å; Y268-Y358 HydrophobicContact CE2-CD2 4.48Å; Y268-Y358 AromaticContact CE2-CE2 3.64Å; Y268-Y358 HydrophobicContact CE2-CE2 3.64Å; Y268-Y358 AromaticContact CE2-CZ 3.98Å; Y268-Y358 AromaticContact CG-CE1 3.99Å; Y268-Y358 HydrophobicContact CG-CE1 3.99Å; Y268-Y358 AromaticContact CG-CE2 3.89Å; Y268-Y358 HydrophobicContact CG-CE2 3.89Å; Y268-Y358 AromaticContact CG-CZ 3.57Å; Y268-Y358 PolarHBondContact N-O 2.95Å; Y268-Y358 PolarHBondContact O-N 3.13Å; F270-Y358 HydrophobicContact CD2-CE1 4.12Å; F270-Y358 AromaticContact CE2-CE1 3.9Å; F270-Y358 HydrophobicContact CE2-CE1 3.9Å; Y355-Y358 WeakPolarHBondContact O-CD1 3.25Å; Y358-Q360 HydrophobicContact CE2-CB 4.5Å
359T91.2Very high92.8Very high28 Ų2865.9 Ų65.917%0.17233%0.333CS..EExtended strand (participates in β ladder)trans-109.2120.5175.9-48.10000109.4E241 A265 Y361E241-T359 WeakPolarHBondContact OE1-CB 3.06Å; E241-T359 PolarHBondContact OE1-OG1 3.28Å; E241-T359 PolarHBondContact OE2-N 3.48Å; A265-T359 HydrophobicContact CB-CG2 4.17Å; T359-Y361 HydrophobicContact CG2-CD1 4.37Å; T359-Y361 HydrophobicContact CG2-CE1 3.79Å; T359-Y361 HydrophobicContact CG2-CE2 4.01Å
360Q91.1Very high93Very high76 Ų7663.3 Ų63.336%0.35533%0.325SS..EExtended strand (participates in β ladder)trans-94.4127.9170.4-173.7179.8-21.300109.2T266 Y268 Y358T266-Q360 PolarHBondContact N-O 2.94Å; T266-Q360 PolarHBondContact O-N 3.24Å; Y268-Q360 HydrophobicContact CD2-CB 4.44Å; Y268-Q360 HydrophobicContact CE2-CB 3.79Å; Y268-Q360 PolarHBondContact OH-OE1 2.97Å; Y358-Q360 HydrophobicContact CE2-CB 4.5Å
361Y92.3Very high93.2Very high30 Ų3059.2 Ų59.212%0.11830%0.3CS..EExtended strand (participates in β ladder)trans-102.7122.8176.7-58.5-82.4000109P83 E241 L263 A265 T359 P363 F398P83-Y361 HydrophobicContact CB-CD1 4.39Å; P83-Y361 HydrophobicContact CB-CD2 3.66Å; P83-Y361 HydrophobicContact CB-CE1 4.41Å; P83-Y361 HydrophobicContact CB-CE2 3.68Å; P83-Y361 HydrophobicContact CB-CG 4.01Å; P83-Y361 HydrophobicContact CG-CD1 4Å; P83-Y361 HydrophobicContact CG-CD2 4.01Å; P83-Y361 HydrophobicContact CG-CE1 4.31Å; P83-Y361 HydrophobicContact CG-CE2 4.32Å; P83-Y361 HydrophobicContact CG-CG 3.81Å; E241-Y361 HydrophobicContact CB-CE2 4.17Å; L263-Y361 HydrophobicContact CD1-CD1 4.4Å; A265-Y361 HydrophobicContact CB-CD1 4.4Å; A265-Y361 HydrophobicContact CB-CE1 4.41Å; T359-Y361 HydrophobicContact CG2-CD1 4.37Å; T359-Y361 HydrophobicContact CG2-CE1 3.79Å; T359-Y361 HydrophobicContact CG2-CE2 4.01Å; Y361-P363 VanDerWaalsContact O-CD 3.29Å; Y361-P363 WeakPolarHBondContact O-CD 3.05Å; Y361-F398 HydrophobicContact CD1-CE1 4.02Å; Y361-F398 HydrophobicContact CD1-CZ 4.26Å; Y361-F398 HydrophobicContact CE1-CE1 4.03Å; Y361-F398 AromaticContact CE1-CZ 3.84Å; Y361-F398 HydrophobicContact CE1-CZ 3.84Å
362T93.9Very high93.3Very high64 Ų6457.1 Ų57.139%0.39330%0.296SS..EExtended strand (participates in β ladder)trans-105.6104177.7-56.20000109K264K264-T362 PolarHBondContact N-O 2.95Å; K264-T362 VanDerWaalsContact N-O 3.09Å; K264-T362 PolarHBondContact O-N 3.27Å
363P94Very high93.3Very high37 Ų3761.7 Ų61.724%0.2432%0.32CS..EExtended strand (participates in β ladder)trans-82.5144.3176.631.7-33.2000112.1L239 M251 P262 L263 Y361L239-P363 HydrophobicContact CD1-CB 4.08Å; L239-P363 HydrophobicContact CD1-CG 3.98Å; M251-P363 HydrophobicContact CE-CB 4.29Å; M251-P363 HydrophobicContact CE-CG 3.73Å; M251-P363 HydrophobicContact SD-CB 4.06Å; M251-P363 HydrophobicContact SD-CG 3.65Å; P262-P363 WeakPolarHBondContact O-CA 3.37Å; L263-P363 HydrophobicContact CD2-CB 3.61Å; Y361-P363 VanDerWaalsContact O-CD 3.29Å; Y361-P363 WeakPolarHBondContact O-CD 3.05Å
364T95.3Very high93.4Very high84 Ų8465.5 Ų65.552%0.51534%0.342SS..  trans-107.582.8167.7-550000109.9P262 S366P262-T364 WeakPolarHBondContact CD-O 3.4Å; P262-T364 PolarHBondContact O-N 2.97Å; T364-S366 PolarHBondContact O-N 3.41Å
365L94.5Very high93.4Very high56 Ų5666.4 Ų66.429%0.29335%0.347SS..  trans-66.9128.4-175.1178.566.1000112.2M251 I253 A259 L261 F367M251-L365 HydrophobicContact CB-CD2 4.06Å; M251-L365 HydrophobicContact CG-CD2 4.25Å; M251-L365 HydrophobicContact SD-CB 4.2Å; M251-L365 HydrophobicContact SD-CD2 4.33Å; I253-L365 HydrophobicContact CD1-CD1 4.33Å; I253-L365 HydrophobicContact CG1-CD1 4.29Å; A259-L365 HydrophobicContact CB-CD1 4.21Å; L261-L365 HydrophobicContact CD1-CD1 3.58Å; L261-L365 HydrophobicContact CD2-CD1 4.38Å; L261-L365 HydrophobicContact CG-CD1 3.76Å; L365-F367 HydrophobicContact CG-CD1 4.5Å
366S96.1Very high93.4Very high60 Ų6070 Ų7042%0.4237%0.366SS..EExtended strand (participates in β ladder)trans-139.3157.5165.760.80000109.7A259 L260 T364A259-S366 CarbonylContact C-O 3.47Å; A259-S366 WeakPolarHBondContact CA-O 3.41Å; L260-S366 PolarHBondContact N-O 2.84Å; L260-S366 PolarHBondContact O-N 3.46Å; T364-S366 PolarHBondContact O-N 3.41Å
367F95Very high93.5Very high105 Ų10573.5 Ų73.546%0.46140%0.396SS..EExtended strand (participates in β ladder)trans-152.4151.2178.553.7-95.4000112P254 H258 A259 L365P254-F367 HydrophobicContact CG-CD2 4.3Å; P254-F367 HydrophobicContact CG-CE2 4.14Å; H258-F367 CarbonylContact O-C 3.56Å; H258-F367 WeakPolarHBondContact O-CA 3.25Å; A259-F367 HydrophobicContact CB-CB 4.07Å; L365-F367 HydrophobicContact CG-CD1 4.5Å
368N95.5Very high93.5Very high122 Ų12277.7 Ų77.765%0.65241%0.408SS*.EExtended strand (participates in β ladder)trans-117.8159.4172.1-75.3-32000110.6S257 H258S257-N368 CarbonylContact C-O 3.57Å; S257-N368 VanDerWaalsContact CA-O 3.25Å; S257-N368 WeakPolarHBondContact CA-O 3.43Å; H258-N368 PolarHBondContact N-O 3.29Å; H258-N368 PolarHBondContact O-N 3.33Å
369K95.9Very high93.6Very high126 Ų12675.9 Ų75.955%0.54841%0.406SS..EExtended strand (participates in β ladder)trans-63.3134.4173.6-179.6-179.2172-178.30110.2D373K369-D373 IonicContact NZ-OD1 2.61Å; K369-D373 PolarHBondContact NZ-OD1 3.3Å; K369-D373 IonicContact NZ-OD2 4Å; K369-D373 PolarHBondContact NZ-OD2 3.43Å
370F94.7Very high93.7Very high59 Ų5979.9 Ų79.926%0.25943%0.434SS..SBendtrans-138.4136.6173177.7-89.9000110.7G256 H258 L388 T391 I393G256-F370 CarbonylContact C-O 3.49Å; G256-F370 WeakPolarHBondContact CA-O 3.31Å; G256-F370 PolarHBondContact O-N 2.81Å; H258-F370 HydrophobicContact CB-CB 4.2Å; F370-L388 HydrophobicContact CE1-CD2 4.4Å; F370-L388 HydrophobicContact CZ-CD2 4.43Å; F370-T391 HydrophobicContact CD1-CG2 4.14Å; F370-T391 HydrophobicContact CE1-CG2 3.69Å; F370-I393 HydrophobicContact CD1-CD1 4.31Å; F370-I393 HydrophobicContact CD2-CD1 4.01Å; F370-I393 HydrophobicContact CE1-CD1 4.15Å; F370-I393 HydrophobicContact CE2-CD1 3.82Å; F370-I393 HydrophobicContact CG-CD1 4.26Å; F370-I393 HydrophobicContact CZ-CD1 3.9Å
371P94.6Very high93.9Very high4 Ų478.9 Ų78.93%0.02644%0.436CS..SBendcis-70.7171.3-16.834.9-39.8000111.2V375 W385 L388P371-V375 HydrophobicContact CB-CB 3.84Å; P371-V375 HydrophobicContact CB-CG1 4.08Å; P371-V375 HydrophobicContact CB-CG2 3.84Å; P371-W385 HydrophobicContact CB-CZ3 4.27Å; P371-W385 HydrophobicContact CG-CE3 4.23Å; P371-W385 HydrophobicContact CG-CH2 3.8Å; P371-W385 HydrophobicContact CG-CZ3 3.38Å; P371-L388 WeakPolarHBondContact CD-O 3.38Å; P371-L388 HydrophobicContact CG-CB 3.89Å
372T93.9Very high93.8Very high77 Ų7782.1 Ų82.147%0.47246%0.463SS..  trans-68.4156.1162.357.80000109.9D374 V375T372-D374 PolarHBondContact O-N 2.86Å; T372-V375 WeakPolarHBondContact O-CB 3.36Å; T372-V375 PolarHBondContact O-N 2.03Å
373D92.4Very high93.7Very high95 Ų9585 Ų8551%0.50848%0.476SS..G310 helixtrans-62.9-28.7-177.2-62.9-45.1000112K369 V375 I376K369-D373 IonicContact NZ-OD1 2.61Å; K369-D373 PolarHBondContact NZ-OD1 3.3Å; K369-D373 IonicContact NZ-OD2 4Å; K369-D373 PolarHBondContact NZ-OD2 3.43Å; D373-V375 PolarHBondContact O-N 3.01Å; D373-I376 WeakPolarHBondContact O-CB 3.01Å; D373-I376 WeakPolarHBondContact O-CG2 3.08Å; D373-I376 PolarHBondContact O-N 3.16Å
374D93.1Very high93.6Very high128 Ų12886.8 Ų86.868%0.68448%0.481SS*.G310 helixtrans-63.9-23.7178.6-55-43.8000113.8T372 I376 A377T372-D374 PolarHBondContact O-N 2.86Å; D374-I376 PolarHBondContact O-N 3.27Å; D374-I376 VanDerWaalsContact O-N 3.12Å; D374-A377 WeakPolarHBondContact O-CB 3.32Å; D374-A377 PolarHBondContact O-N 3.41Å; D374-A377 VanDerWaalsContact O-N 3.17Å
375V91.7Very high93.5Very high46 Ų4684.2 Ų84.228%0.27946%0.462SS..G310 helixtrans-63.1-19.6178.2176.90000111.7P371 T372 D373 A377 Y378 A379 W385 L388P371-V375 HydrophobicContact CB-CB 3.84Å; P371-V375 HydrophobicContact CB-CG1 4.08Å; P371-V375 HydrophobicContact CB-CG2 3.84Å; T372-V375 WeakPolarHBondContact O-CB 3.36Å; T372-V375 PolarHBondContact O-N 2.03Å; D373-V375 PolarHBondContact O-N 3.01Å; V375-A377 PolarHBondContact O-N 3.31Å; V375-A377 VanDerWaalsContact O-N 3.14Å; V375-Y378 PolarHBondContact O-N 3.13Å; V375-A379 PolarHBondContact O-N 2.91Å; V375-W385 HydrophobicContact CB-CZ3 4.19Å; V375-L388 HydrophobicContact CG1-CD1 4Å
376I91.8Very high93.4Very high93 Ų9385.9 Ų85.948%0.47747%0.469SS..G310 helixtrans-55.8-31.2175.2-161.5173.4000112.6D373 D374 Y378 A379 W385D373-I376 WeakPolarHBondContact O-CB 3.01Å; D373-I376 WeakPolarHBondContact O-CG2 3.08Å; D373-I376 PolarHBondContact O-N 3.16Å; D374-I376 PolarHBondContact O-N 3.27Å; D374-I376 VanDerWaalsContact O-N 3.12Å; I376-Y378 PolarHBondContact O-N 3.17Å; I376-A379 PolarHBondContact O-N 2.79Å; I376-W385 HydrophobicContact CB-CD2 4.11Å; I376-W385 HydrophobicContact CB-CE3 4.05Å; I376-W385 HydrophobicContact CB-CH2 4.24Å; I376-W385 HydrophobicContact CB-CZ2 4.26Å; I376-W385 HydrophobicContact CB-CZ3 4.12Å; I376-W385 HydrophobicContact CD1-CD2 4.28Å; I376-W385 HydrophobicContact CD1-CG 4.32Å; I376-W385 HydrophobicContact CD1-CZ2 4.48Å; I376-W385 HydrophobicContact CG1-CD2 3.91Å; I376-W385 HydrophobicContact CG1-CE3 4.29Å; I376-W385 HydrophobicContact CG1-CG 4.07Å
377A93.3Very high93.2Very high84 Ų8490.9 Ų90.969%0.69448%0.479SS*.G310 helixtrans-64.9-19.7178.300000113.2D374 V375D374-A377 WeakPolarHBondContact O-CB 3.32Å; D374-A377 PolarHBondContact O-N 3.41Å; D374-A377 VanDerWaalsContact O-N 3.17Å; V375-A377 PolarHBondContact O-N 3.31Å; V375-A377 VanDerWaalsContact O-N 3.14Å
378Y92.9Very high93.2Very high199 Ų19987.8 Ų87.878%0.7847%0.467SS*.G310 helixtrans-106.6-7.1179.9-59.7-81.2000113.1V375 I376 S380V375-Y378 PolarHBondContact O-N 3.13Å; I376-Y378 PolarHBondContact O-N 3.17Å; Y378-S380 PolarHBondContact O-N 3.4Å
379A92.7Very high93.1Very high21 Ų2185.4 Ų85.417%0.17445%0.451CS..  trans-73124.7175.700000109.6V375 I376 S381 W385V375-A379 PolarHBondContact O-N 2.91Å; I376-A379 PolarHBondContact O-N 2.79Å; A379-S381 PolarHBondContact O-N 2.87Å; A379-W385 HydrophobicContact CB-CB 4.03Å
380S93.3Very high93Very high111 Ų11180.2 Ų80.278%0.77643%0.429SS*.SBendtrans-70.7-21.2-179.3-51.30000112.1Y378 E384Y378-S380 PolarHBondContact O-N 3.4Å; S380-E384 VanDerWaalsContact CB-OE2 3.26Å; S380-E384 WeakPolarHBondContact CB-OE2 3.48Å; S380-E384 PolarHBondContact N-OE2 2.78Å; S380-E384 PolarHBondContact OG-OE2 3.2Å
381S94.4Very high93.1Very high56 Ų5678.1 Ų78.139%0.39242%0.421SS..SBendtrans-151.8159-178.365.10000112.3A379 D383 E384 W385A379-S381 PolarHBondContact O-N 2.87Å; S381-D383 PolarHBondContact O-N 2.68Å; S381-E384 PolarHBondContact O-N 3.15Å; S381-E384 WeakPolarHBondContact OG-CB 3.32Å; S381-E384 PolarHBondContact OG-N 3.41Å; S381-E384 VanDerWaalsContact OG-N 3.1Å; S381-W385 PolarHBondContact O-N 2.95Å; S381-W385 VanDerWaalsContact O-N 3.08Å
382S91.4Very high93.3Very high98 Ų9877.9 Ų77.969%0.68542%0.42SS*.Hα-helixtrans-58.9-32.8171-58.30000112.5W385 M386S382-W385 PolarHBondContact O-N 3.44Å; S382-M386 VanDerWaalsContact O-CG 3.31Å; S382-M386 WeakPolarHBondContact O-CG 3.39Å; S382-M386 PolarHBondContact O-N 3.33Å
383D91.1Very high93.5Very high125 Ų12575.4 Ų75.467%0.66840%0.404SS*.Hα-helixtrans-69.2-42178.3-70.8-25.8000111.6S381 W385 M386 R387S381-D383 PolarHBondContact O-N 2.68Å; D383-W385 VanDerWaalsContact C-N 3.34Å; D383-M386 PolarHBondContact O-N 3.32Å; D383-R387 WeakPolarHBondContact O-CG 3.46Å; D383-R387 PolarHBondContact O-N 3.12Å
384E92.2Very high93.7Very high73 Ų7371 Ų7134%0.34138%0.38SS..Hα-helixtrans-60.4-45.6172.8-176.6177.7-169.100111S380 S381 M386 R387 L388S380-E384 VanDerWaalsContact CB-OE2 3.26Å; S380-E384 WeakPolarHBondContact CB-OE2 3.48Å; S380-E384 PolarHBondContact N-OE2 2.78Å; S380-E384 PolarHBondContact OG-OE2 3.2Å; S381-E384 PolarHBondContact O-N 3.15Å; S381-E384 WeakPolarHBondContact OG-CB 3.32Å; S381-E384 PolarHBondContact OG-N 3.41Å; S381-E384 VanDerWaalsContact OG-N 3.1Å; E384-M386 VanDerWaalsContact C-N 3.31Å; E384-M386 PolarHBondContact O-N 2.78Å; E384-R387 PolarHBondContact O-N 3.46Å; E384-R387 VanDerWaalsContact O-N 3.14Å; E384-L388 HydrophobicContact CG-CD1 4.33Å; E384-L388 WeakPolarHBondContact O-CG 3.32Å; E384-L388 PolarHBondContact O-N 2.71Å
385W93.7Very high93.9Very high31 Ų3165.7 Ų65.712%0.11735%0.351CS..Hα-helixtrans-58.2-42.6175.2176.4-127.3000112.6P371 V375 I376 A379 S381 S382 D383 L388 K389P371-W385 HydrophobicContact CB-CZ3 4.27Å; P371-W385 HydrophobicContact CG-CE3 4.23Å; P371-W385 HydrophobicContact CG-CH2 3.8Å; P371-W385 HydrophobicContact CG-CZ3 3.38Å; V375-W385 HydrophobicContact CB-CZ3 4.19Å; I376-W385 HydrophobicContact CB-CD2 4.11Å; I376-W385 HydrophobicContact CB-CE3 4.05Å; I376-W385 HydrophobicContact CB-CH2 4.24Å; I376-W385 HydrophobicContact CB-CZ2 4.26Å; I376-W385 HydrophobicContact CB-CZ3 4.12Å; I376-W385 HydrophobicContact CD1-CD2 4.28Å; I376-W385 HydrophobicContact CD1-CG 4.32Å; I376-W385 HydrophobicContact CD1-CZ2 4.48Å; I376-W385 HydrophobicContact CG1-CD2 3.91Å; I376-W385 HydrophobicContact CG1-CE3 4.29Å; I376-W385 HydrophobicContact CG1-CG 4.07Å; A379-W385 HydrophobicContact CB-CB 4.03Å; S381-W385 PolarHBondContact O-N 2.95Å; S381-W385 VanDerWaalsContact O-N 3.08Å; S382-W385 PolarHBondContact O-N 3.44Å; D383-W385 VanDerWaalsContact C-N 3.34Å; W385-L388 PolarHBondContact O-N 3.03Å; W385-K389 HydrophobicContact CD2-CD 4.36Å; W385-K389 HydrophobicContact CD2-CG 4.38Å; W385-K389 HydrophobicContact CH2-CG 4.34Å; W385-K389 HydrophobicContact CZ2-CD 3.78Å; W385-K389 HydrophobicContact CZ2-CG 4.05Å; W385-K389 WeakPolarHBondContact O-CG 3.41Å; W385-K389 PolarHBondContact O-N 2.8Å; W385-K389 VanDerWaalsContact O-N 3.11Å
386M91.6Very high94.2Very high90 Ų9063.7 Ų63.744%0.44334%0.338SS..Hα-helixtrans-66.4-38.8175.7-72.5-60-62.800112.4S382 D383 E384 K389 N390S382-M386 VanDerWaalsContact O-CG 3.31Å; S382-M386 WeakPolarHBondContact O-CG 3.39Å; S382-M386 PolarHBondContact O-N 3.33Å; D383-M386 PolarHBondContact O-N 3.32Å; E384-M386 VanDerWaalsContact C-N 3.31Å; E384-M386 PolarHBondContact O-N 2.78Å; M386-K389 PolarHBondContact O-N 2.87Å; M386-K389 WeakPolarHBondContact SD-CE 3.38Å; M386-K389 PolarHBondContact SD-NZ 3.27Å; M386-N390 PolarHBondContact O-N 2.85Å; M386-N390 PolarHBondContact O-ND2 3.15Å; M386-N390 PolarHBondContact O-OD1 2.03Å
387R92.8Very high94.4Very high166 Ų16660.5 Ų60.563%0.62632%0.321SS*.Hα-helixtrans-62.6-46.7175.2-72.3177.784.1164.55.4111D383 E384 K389 N390 T391D383-R387 WeakPolarHBondContact O-CG 3.46Å; D383-R387 PolarHBondContact O-N 3.12Å; E384-R387 PolarHBondContact O-N 3.46Å; E384-R387 VanDerWaalsContact O-N 3.14Å; R387-K389 VanDerWaalsContact C-N 3.35Å; R387-K389 PolarHBondContact O-N 3.47Å; R387-N390 CarbonylContact O-C 3.5Å; R387-N390 WeakPolarHBondContact O-CA 3.46Å; R387-N390 WeakPolarHBondContact O-CB 3.42Å; R387-N390 PolarHBondContact O-N 2.81Å; R387-T391 PolarHBondContact O-N 3.44Å; R387-T391 VanDerWaalsContact O-N 3.07Å; R387-T391 PolarHBondContact O-OG1 3.32Å; R387-T391 VanDerWaalsContact O-OG1 3.06Å
388L93.9Very high94.5Very high39 Ų3956.9 Ų56.920%0.20429%0.289CS..Hα-helixtrans-58.1-44.8177.1-70.7169.8000112.1F370 P371 V375 E384 W385 N390 T391F370-L388 HydrophobicContact CE1-CD2 4.4Å; F370-L388 HydrophobicContact CZ-CD2 4.43Å; P371-L388 WeakPolarHBondContact CD-O 3.38Å; P371-L388 HydrophobicContact CG-CB 3.89Å; V375-L388 HydrophobicContact CG1-CD1 4Å; E384-L388 HydrophobicContact CG-CD1 4.33Å; E384-L388 WeakPolarHBondContact O-CG 3.32Å; E384-L388 PolarHBondContact O-N 2.71Å; W385-L388 PolarHBondContact O-N 3.03Å; L388-N390 PolarHBondContact O-N 3.02Å; L388-T391 VanDerWaalsContact O-CB 3.25Å; L388-T391 WeakPolarHBondContact O-CB 3.26Å; L388-T391 PolarHBondContact O-N 3.22Å; L388-T391 PolarHBondContact O-OG1 3.1Å
389K93.9Very high94.6Very high73 Ų7351.2 Ų51.232%0.31727%0.27SS..Hα-helixtrans-63.9-18.9175.1-73.3-174.7-64.1-1780114.3G256 W385 M386 R387G256-K389 WeakPolarHBondContact CA-O 3.23Å; G256-K389 PolarHBondContact N-O 3.05Å; W385-K389 HydrophobicContact CD2-CD 4.36Å; W385-K389 HydrophobicContact CD2-CG 4.38Å; W385-K389 HydrophobicContact CH2-CG 4.34Å; W385-K389 HydrophobicContact CZ2-CD 3.78Å; W385-K389 HydrophobicContact CZ2-CG 4.05Å; W385-K389 WeakPolarHBondContact O-CG 3.41Å; W385-K389 PolarHBondContact O-N 2.8Å; W385-K389 VanDerWaalsContact O-N 3.11Å; M386-K389 PolarHBondContact O-N 2.87Å; M386-K389 WeakPolarHBondContact SD-CE 3.38Å; M386-K389 PolarHBondContact SD-NZ 3.27Å; R387-K389 VanDerWaalsContact C-N 3.35Å; R387-K389 PolarHBondContact O-N 3.47Å
390N94.6Very high94.7Very high16 Ų1655.3 Ų55.39%0.08629%0.286CS..THydrogen-bonded Turntrans-97.1-3.2176-60.7-18.4000112.3L218 K220 M386 R387 L388L218-N390 HydrophobicContact CB-CB 4.37Å; L218-N390 PolarHBondContact N-O 3.28Å; L218-N390 WeakPolarHBondContact O-CB 3.36Å; L218-N390 PolarHBondContact O-ND2 3.01Å; K220-N390 WeakPolarHBondContact CD-OD1 2.95Å; K220-N390 VanDerWaalsContact CE-CG 3.48Å; K220-N390 WeakPolarHBondContact CE-OD1 2.98Å; K220-N390 PolarHBondContact NZ-OD1 2.71Å; M386-N390 PolarHBondContact O-N 2.85Å; M386-N390 PolarHBondContact O-ND2 3.15Å; M386-N390 PolarHBondContact O-OD1 2.03Å; R387-N390 CarbonylContact O-C 3.5Å; R387-N390 WeakPolarHBondContact O-CA 3.46Å; R387-N390 WeakPolarHBondContact O-CB 3.42Å; R387-N390 PolarHBondContact O-N 2.81Å; L388-N390 PolarHBondContact O-N 3.02Å
391T96.9Very high94.7Very high15 Ų1550.9 Ų50.99%0.09225%0.253CS..EExtended strand (participates in β ladder)trans-74.8139.6-179.8-62.30000110.5V215 L216 G256 S257 F370 R387 L388 I393V215-T391 HydrophobicContact CG1-CG2 3.84Å; L216-T391 CarbonylContact O-C 3.58Å; L216-T391 WeakPolarHBondContact O-CA 3.45Å; L216-T391 WeakPolarHBondContact O-CG2 3.26Å; G256-T391 WeakPolarHBondContact CA-O 3.25Å; G256-T391 PolarHBondContact N-O 3.39Å; S257-T391 PolarHBondContact N-O 3.47Å; F370-T391 HydrophobicContact CD1-CG2 4.14Å; F370-T391 HydrophobicContact CE1-CG2 3.69Å; R387-T391 PolarHBondContact O-N 3.44Å; R387-T391 VanDerWaalsContact O-N 3.07Å; R387-T391 PolarHBondContact O-OG1 3.32Å; R387-T391 VanDerWaalsContact O-OG1 3.06Å; L388-T391 VanDerWaalsContact O-CB 3.25Å; L388-T391 WeakPolarHBondContact O-CB 3.26Å; L388-T391 PolarHBondContact O-N 3.22Å; L388-T391 PolarHBondContact O-OG1 3.1Å; T391-I393 HydrophobicContact CG2-CG1 4.16Å
392I97.7Very high94.7Very high0 Ų049.5 Ų49.50%024%0.243CC..EExtended strand (participates in β ladder)trans-123.5129.6169.8-57.2176.8000107.1L216 L218 I235 I253 S257 V394L216-I392 HydrophobicContact CB-CB 4.39Å; L216-I392 PolarHBondContact N-O 3.1Å; L216-I392 PolarHBondContact O-N 3.31Å; L218-I392 HydrophobicContact CD1-CD1 3.87Å; L218-I392 HydrophobicContact CG-CD1 4.19Å; I235-I392 HydrophobicContact CG1-CD1 4.04Å; I235-I392 HydrophobicContact CG2-CD1 4.04Å; I253-I392 HydrophobicContact CG2-CG2 3.52Å; S257-I392 CarbonylContact O-C 3.53Å; S257-I392 VanDerWaalsContact O-CA 3.31Å; S257-I392 WeakPolarHBondContact O-CA 3.31Å; I392-V394 HydrophobicContact CG2-CG2 3.87Å
393I97.5Very high94.8Very high25 Ų2547.6 Ų47.613%0.12822%0.221CC..EExtended strand (participates in β ladder)trans-109.5123.9173-56.1173.1000106.7V215 S257 H258 A259 F370 T391 E395V215-I393 HydrophobicContact CG1-CG1 4.45Å; V215-I393 HydrophobicContact CG2-CG1 4.47Å; S257-I393 PolarHBondContact O-N 3.38Å; H258-I393 CarbonylContact C-O 3.55Å; H258-I393 WeakPolarHBondContact CA-O 3.4Å; H258-I393 HydrophobicContact CB-CB 4.37Å; A259-I393 PolarHBondContact N-O 3.26Å; F370-I393 HydrophobicContact CD1-CD1 4.31Å; F370-I393 HydrophobicContact CD2-CD1 4.01Å; F370-I393 HydrophobicContact CE1-CD1 4.15Å; F370-I393 HydrophobicContact CE2-CD1 3.82Å; F370-I393 HydrophobicContact CG-CD1 4.26Å; F370-I393 HydrophobicContact CZ-CD1 3.9Å; T391-I393 HydrophobicContact CG2-CG1 4.16Å; I393-E395 HydrophobicContact CG2-CG 4.3Å
394V97.6Very high95.1Very high1 Ų144 Ų441%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-116.9120.6179.4-178.30000108.8S213 I214 I235 L237 I253 L261 I392S213-V394 CarbonylContact C-O 3.49Å; S213-V394 WeakPolarHBondContact CA-O 3.36Å; I214-V394 HydrophobicContact CB-CB 4.37Å; I214-V394 PolarHBondContact N-O 3.29Å; I214-V394 PolarHBondContact O-N 3.33Å; I235-V394 HydrophobicContact CD1-CG2 4.4Å; L237-V394 HydrophobicContact CD1-CG1 3.69Å; L237-V394 HydrophobicContact CD1-CG2 4.37Å; I253-V394 HydrophobicContact CD1-CG2 4.01Å; L261-V394 HydrophobicContact CD1-CG1 3.8Å; I392-V394 HydrophobicContact CG2-CG2 3.87Å
395E97.1Very high95.3Very high18 Ų1841 Ų418%0.08419%0.19CC..EExtended strand (participates in β ladder)trans-113.5112.9179.8-65.4-74.2168.200109.2Y208 S213 H258 A259 L260 L261 I393Y208-E395 HydrophobicContact CE2-CB 4.06Å; Y208-E395 HydrophobicContact CE2-CG 3.79Å; S213-E395 WeakPolarHBondContact CB-OE1 3.36Å; S213-E395 WeakPolarHBondContact CB-OE2 3.42Å; S213-E395 VanDerWaalsContact OG-CD 3.31Å; S213-E395 PolarHBondContact OG-OE1 3.27Å; H258-E395 WeakPolarHBondContact NE2-CG 3.48Å; A259-E395 PolarHBondContact O-N 3.49Å; L260-E395 HydrophobicContact CD2-CB 3.65Å; L260-E395 HydrophobicContact CD2-CG 3.93Å; L261-E395 PolarHBondContact N-O 2.92Å; I393-E395 HydrophobicContact CG2-CG 4.3Å
396L96.9Very high95.4Very high3 Ų340.5 Ų40.52%0.01619%0.19CC..EExtended strand (participates in β ladder)trans-117.8122.3-177.4-174.179.3000109.6L82 P83 V85 G211 I212 L239 L261 L263L82-L396 HydrophobicContact CD2-CG 4.41Å; P83-L396 HydrophobicContact CG-CD2 4.23Å; V85-L396 HydrophobicContact CG2-CD2 3.47Å; V85-L396 VanDerWaalsContact CG2-CD2 3.47Å; G211-L396 CarbonylContact C-O 3.57Å; G211-L396 WeakPolarHBondContact CA-O 3.26Å; I212-L396 PolarHBondContact N-O 3.31Å; I212-L396 PolarHBondContact O-N 2.75Å; L239-L396 HydrophobicContact CD1-CD1 4.42Å; L239-L396 HydrophobicContact CD2-CD1 4.03Å; L239-L396 HydrophobicContact CD2-CD2 4.13Å; L261-L396 HydrophobicContact CB-CD1 3.56Å; L261-L396 HydrophobicContact CD2-CD1 4.1Å; L261-L396 HydrophobicContact CG-CD1 4.47Å; L263-L396 HydrophobicContact CD1-CD1 3.66Å; L263-L396 HydrophobicContact CD1-CD2 4.17Å; L263-L396 HydrophobicContact CD1-CG 3.84Å; L263-L396 HydrophobicContact CD2-CD1 3.66Å; L263-L396 HydrophobicContact CG-CD1 3.67Å; L263-L396 HydrophobicContact CG-CG 4.2Å
397Y96.7Very high95.6Very high27 Ų2739.4 Ų39.411%0.10618%0.182CC..EExtended strand (participates in β ladder)trans-155.4157.3-177.558.8-87.8000111.2G207 Y208 L261 P262 L263G207-Y397 WeakPolarHBondContact O-CB 3.47Å; G207-Y397 VanDerWaalsContact O-CD2 3.3Å; G207-Y397 WeakPolarHBondContact O-CD2 3.46Å; Y208-Y397 AromaticContact CD2-CE1 3.9Å; Y208-Y397 HydrophobicContact CD2-CE1 3.9Å; L261-Y397 PolarHBondContact O-N 3.47Å; P262-Y397 CarbonylContact C-O 3.57Å; P262-Y397 WeakPolarHBondContact CA-O 3.41Å; P262-Y397 HydrophobicContact CB-CE2 3.97Å; P262-Y397 HydrophobicContact CG-CE1 4.46Å; P262-Y397 HydrophobicContact CG-CE2 4.28Å; L263-Y397 PolarHBondContact N-O 2.96Å
398F96.4Very high95.7Very high8 Ų832.8 Ų32.84%0.03516%0.158CC..EExtended strand (participates in β ladder)trans-75129.3168.3-69.9-65.6000111A80 R81 L82 Q203 G207 L263 A265 Y361 Q400A80-F398 HydrophobicContact CB-CD2 3.82Å; A80-F398 HydrophobicContact CB-CE2 3.6Å; A80-F398 HydrophobicContact CB-CZ 4.38Å; R81-F398 WeakPolarHBondContact O-CZ 3.31Å; L82-F398 HydrophobicContact CD2-CD2 3.66Å; L82-F398 HydrophobicContact CD2-CE2 3.59Å; L82-F398 HydrophobicContact CD2-CG 4.18Å; L82-F398 HydrophobicContact CD2-CZ 4.04Å; L82-F398 HydrophobicContact CG-CD2 4.24Å; L82-F398 HydrophobicContact CG-CE2 3.96Å; Q203-F398 HydrophobicContact CB-CD2 4.42Å; Q203-F398 PolarHBondContact NE2-O 3.03Å; G207-F398 PolarHBondContact N-O 3.4Å; L263-F398 HydrophobicContact CB-CD1 3.8Å; L263-F398 HydrophobicContact CB-CE1 4.05Å; L263-F398 HydrophobicContact CD1-CE1 4.34Å; A265-F398 HydrophobicContact CB-CE1 3.96Å; Y361-F398 HydrophobicContact CD1-CE1 4.02Å; Y361-F398 HydrophobicContact CD1-CZ 4.26Å; Y361-F398 HydrophobicContact CE1-CE1 4.03Å; Y361-F398 AromaticContact CE1-CZ 3.84Å; Y361-F398 HydrophobicContact CE1-CZ 3.84Å; F398-Q400 VanDerWaalsContact C-N 3.26Å; F398-Q400 PolarHBondContact O-N 2.93Å
399E94.4Very high95.7Very high80 Ų8034.5 Ų34.537%0.37416%0.164SC..EExtended strand (participates in β ladder)trans-62.4-38.8175.5-173.8-171.2158.800110.9P262 L263 K264P262-E399 HydrophobicContact CB-CB 4.29Å; L263-E399 PolarHBondContact O-N 3.28Å; L263-E399 VanDerWaalsContact O-N 3.12Å; K264-E399 WeakPolarHBondContact CE-OE2 3.32Å; K264-E399 IonicContact NZ-OE2 3.54Å
400Q94.1Very high95.5Very high107 Ų10736.9 Ų36.950%0.517%0.171SC..EExtended strand (participates in β ladder)trans-139147.3179.2-62.3-179.7-2.700108.8F398 S402F398-Q400 VanDerWaalsContact C-N 3.26Å; F398-Q400 PolarHBondContact O-N 2.93Å; Q400-S402 PolarHBondContact O-N 3.27Å
401M94Very high95.4Very high18 Ų1838.8 Ų38.89%0.08919%0.189CC..EExtended strand (participates in β ladder)trans-80.757.1172.7-66.6-57.3-6700110.1S76 V77 A80 Q203 P206S76-M401 PolarHBondContact N-O 3.16Å; V77-M401 PolarHBondContact N-O 2.83Å; V77-M401 VanDerWaalsContact O-CE 3.25Å; V77-M401 WeakPolarHBondContact O-CE 3.37Å; A80-M401 HydrophobicContact CB-CE 3.67Å; A80-M401 HydrophobicContact CB-SD 4.43Å; Q203-M401 HydrophobicContact CG-SD 4.05Å; Q203-M401 WeakPolarHBondContact O-CE 3.29Å; P206-M401 HydrophobicContact CB-CG 3.89Å; P206-M401 VanDerWaalsContact CD-CG 3.45Å; P206-M401 HydrophobicContact CG-CG 3.97Å
402S93.2Very high95.2Very high26 Ų2639.2 Ų39.218%0.18219%0.19CC..EExtended strand (participates in β ladder)trans-142.1156.4179.564.10000110.3H74 D75 Q400H74-S402 WeakPolarHBondContact O-CA 3.45Å; H74-S402 WeakPolarHBondContact O-CB 3.49Å; D75-S402 WeakPolarHBondContact OD1-CB 3.5Å; Q400-S402 PolarHBondContact O-N 3.27Å
403Y94.6Very high95Very high59 Ų5942 Ų4223%0.23121%0.209CC..EExtended strand (participates in β ladder)trans-139.9151.9171.166.4-84.7000110.5H74 V77 A265 R267 L405H74-Y403 HydrophobicContact CB-CD1 4.02Å; H74-Y403 HydrophobicContact CB-CE1 3.58Å; H74-Y403 HydrophobicContact CB-CE2 4.2Å; H74-Y403 HydrophobicContact CB-CG 4.48Å; H74-Y403 AromaticContact CD2-CE2 3.68Å; H74-Y403 AromaticContact CD2-CZ 3.66Å; H74-Y403 AromaticContact CG-CZ 3.7Å; H74-Y403 PolarHBondContact N-O 2.9Å; H74-Y403 PolarHBondContact O-N 3.38Å; H74-Y403 VanDerWaalsContact O-N 3.11Å; V77-Y403 HydrophobicContact CG2-CD1 3.68Å; V77-Y403 HydrophobicContact CG2-CE1 3.62Å; A265-Y403 WeakPolarHBondContact O-CA 3.39Å; A265-Y403 WeakPolarHBondContact O-CB 3.38Å; R267-Y403 HydrophobicContact CB-CD2 3.86Å; R267-Y403 HydrophobicContact CB-CE2 4.14Å; Y403-L405 HydrophobicContact CD2-CB 4.35Å; Y403-L405 HydrophobicContact CE2-CB 3.99Å
404T96.1Very high94.8Very high48 Ų4846 Ų4629%0.29423%0.228SC..EExtended strand (participates in β ladder)trans-89.1122.7170.4-57.90000108.9F72 A265 T266 R267 I406F72-T404 CarbonylContact O-C 3.55Å; F72-T404 WeakPolarHBondContact O-CA 3.48Å; A265-T404 PolarHBondContact O-N 2.93Å; A265-T404 VanDerWaalsContact O-N 3.08Å; T266-T404 CarbonylContact C-O 3.5Å; T266-T404 VanDerWaalsContact CA-O 3.29Å; T266-T404 WeakPolarHBondContact CA-O 3.31Å; R267-T404 PolarHBondContact N-O 3.36Å; T404-I406 HydrophobicContact CG2-CG1 4.22Å
405L96.4Very high94.7Very high12 Ų1252.3 Ų52.36%0.06326%0.257CS..EExtended strand (participates in β ladder)trans-95.9119.7171.1177.863.2000109.7F72 R267 E269 Y403 K407F72-L405 HydrophobicContact CB-CB 4.27Å; F72-L405 HydrophobicContact CD2-CB 4.48Å; F72-L405 HydrophobicContact CD2-CD2 4.22Å; F72-L405 HydrophobicContact CD2-CG 4.34Å; F72-L405 PolarHBondContact N-O 2.78Å; F72-L405 PolarHBondContact O-N 3.34Å; R267-L405 HydrophobicContact CB-CD1 4.15Å; R267-L405 HydrophobicContact CG-CD1 4.04Å; R267-L405 CarbonylContact O-C 3.56Å; R267-L405 WeakPolarHBondContact O-CA 3.34Å; E269-L405 HydrophobicContact CB-CD1 4.24Å; E269-L405 HydrophobicContact CG-CD1 3.8Å; Y403-L405 HydrophobicContact CD2-CB 4.35Å; Y403-L405 HydrophobicContact CE2-CB 3.99Å; L405-K407 HydrophobicContact CD2-CD 4.45Å; L405-K407 HydrophobicContact CG-CB 4.27Å
406I96.9Very high94.5Very high20 Ų2052.4 Ų52.410%0.10326%0.263CS..EExtended strand (participates in β ladder)trans-107111.4172.1-59.8179.9000107.7V69 G70 Y71 T266 R267 Y268 E269 F270 T404V69-I406 HydrophobicContact CG1-CG2 3.55Å; G70-I406 WeakPolarHBondContact O-CA 3.44Å; Y71-I406 HydrophobicContact CD1-CD1 4.01Å; Y71-I406 HydrophobicContact CD1-CG1 3.74Å; Y71-I406 HydrophobicContact CE1-CD1 3.66Å; Y71-I406 HydrophobicContact CE1-CG1 3.82Å; Y71-I406 HydrophobicContact CE1-CG2 4.23Å; T266-I406 HydrophobicContact CG2-CD1 3.7Å; T266-I406 HydrophobicContact CG2-CG1 4.05Å; R267-I406 PolarHBondContact O-N 2.75Å; Y268-I406 WeakPolarHBondContact CA-O 3.38Å; Y268-I406 HydrophobicContact CD1-CB 3.75Å; Y268-I406 HydrophobicContact CD1-CD1 4.19Å; Y268-I406 HydrophobicContact CD1-CG1 4.44Å; Y268-I406 HydrophobicContact CD1-CG2 4.03Å; Y268-I406 HydrophobicContact CE1-CB 4.01Å; Y268-I406 HydrophobicContact CE1-CD1 3.54Å; Y268-I406 HydrophobicContact CE1-CG1 4.26Å; Y268-I406 HydrophobicContact CE1-CG2 4.23Å; E269-I406 PolarHBondContact N-O 3.11Å; F270-I406 HydrophobicContact CE1-CG2 4.08Å; T404-I406 HydrophobicContact CG2-CG1 4.22Å
407K96.3Very high94.5Very high67 Ų6754.6 Ų54.629%0.29127%0.273SS..EExtended strand (participates in β ladder)trans-127.1137.3-170.4-178.4165.3-175.4151.70112.7G70 F72 E269 L405 F409G70-K407 PolarHBondContact N-O 2.96Å; G70-K407 PolarHBondContact O-N 3.4Å; F72-K407 HydrophobicContact CE2-CB 4.35Å; E269-K407 HydrophobicContact CB-CB 4.2Å; E269-K407 HydrophobicContact CB-CD 4.22Å; E269-K407 HydrophobicContact CB-CG 3.96Å; E269-K407 WeakPolarHBondContact O-CA 3.43Å; E269-K407 VanDerWaalsContact OE2-CD 3.32Å; E269-K407 WeakPolarHBondContact OE2-CD 3.05Å; E269-K407 VanDerWaalsContact OE2-CE 3.31Å; E269-K407 WeakPolarHBondContact OE2-CE 3.02Å; E269-K407 IonicContact OE2-NZ 2.72Å; E269-K407 PolarHBondContact OE2-NZ 3.15Å; L405-K407 HydrophobicContact CD2-CD 4.45Å; L405-K407 HydrophobicContact CG-CB 4.27Å; K407-F409 HydrophobicContact CB-CE2 3.75Å; K407-F409 HydrophobicContact CB-CZ 3.97Å; K407-F409 HydrophobicContact CD-CE1 3.87Å; K407-F409 HydrophobicContact CD-CE2 4.13Å; K407-F409 HydrophobicContact CD-CZ 3.5Å; K407-F409 HydrophobicContact CG-CD2 4.33Å; K407-F409 HydrophobicContact CG-CE1 4.14Å; K407-F409 HydrophobicContact CG-CE2 3.71Å; K407-F409 HydrophobicContact CG-CZ 3.62Å; K407-F409 WeakPolarHBondContact O-CD2 3.31Å
408H94.9Very high94.3Very high27 Ų2759 Ų5913%0.12530%0.297CS..EExtended strand (participates in β ladder)trans-83.1132.8171-75.1-179.1000111I67 E269 F270 M271I67-H408 HydrophobicContact CG2-CB 3.66Å; E269-H408 PolarHBondContact O-N 3.43Å; F270-H408 AromaticContact CD1-CD2 3.52Å; F270-H408 AromaticContact CD1-CE1 3.49Å; F270-H408 VanDerWaalsContact CD1-CE1 3.49Å; F270-H408 WeakPolarHBondContact CD1-CE1 3.45Å; F270-H408 AromaticContact CD1-CG 3.8Å; F270-H408 AromaticContact CD1-ND1 3.79Å; F270-H408 AromaticContact CD1-NE2 3.33Å; F270-H408 VanDerWaalsContact CD1-NE2 3.33Å; F270-H408 WeakPolarHBondContact CD1-NE2 3.33Å; F270-H408 AromaticContact CE1-CD2 3.96Å; F270-H408 AromaticContact CE1-NE2 3.57Å; F270-H408 AromaticContact CG-CE1 3.89Å; M271-H408 HydrophobicContact CB-CB 4.03Å; M271-H408 HydrophobicContact CG-CB 3.8Å; M271-H408 HydrophobicContact SD-CB 4.32Å
409F92.4Very high94.3Very high75 Ų7561.7 Ų61.733%0.32932%0.32SS..EExtended strand (participates in β ladder)trans-125.6153169.3-55.2-94.1000110I67 V68 F72 K407 A411I67-F409 CarbonylContact C-O 3.59Å; I67-F409 VanDerWaalsContact CA-O 3.29Å; I67-F409 WeakPolarHBondContact CA-O 3.48Å; V68-F409 HydrophobicContact CG2-CB 3.87Å; V68-F409 PolarHBondContact N-O 2.89Å; V68-F409 PolarHBondContact O-N 3.39Å; F72-F409 AromaticContact CE2-CE2 3.53Å; F72-F409 HydrophobicContact CE2-CE2 3.53Å; F72-F409 AromaticContact CE2-CZ 3.55Å; F72-F409 HydrophobicContact CE2-CZ 3.55Å; F72-F409 AromaticContact CZ-CE2 3.7Å; F72-F409 HydrophobicContact CZ-CE2 3.7Å; F72-F409 AromaticContact CZ-CZ 3.61Å; F72-F409 HydrophobicContact CZ-CZ 3.61Å; K407-F409 HydrophobicContact CB-CE2 3.75Å; K407-F409 HydrophobicContact CB-CZ 3.97Å; K407-F409 HydrophobicContact CD-CE1 3.87Å; K407-F409 HydrophobicContact CD-CE2 4.13Å; K407-F409 HydrophobicContact CD-CZ 3.5Å; K407-F409 HydrophobicContact CG-CD2 4.33Å; K407-F409 HydrophobicContact CG-CE1 4.14Å; K407-F409 HydrophobicContact CG-CE2 3.71Å; K407-F409 HydrophobicContact CG-CZ 3.62Å; K407-F409 WeakPolarHBondContact O-CD2 3.31Å; F409-A411 PolarHBondContact O-N 2.92Å
410R91.5Very high94.4Very high123 Ų12361.4 Ų61.446%0.46432%0.321SS..EExtended strand (participates in β ladder)trans-67130.2163.9-61.6-178.6-178.2168.52.8108.1M271 M412M271-R410 HydrophobicContact CE-CG 3.96Å; M271-R410 HydrophobicContact SD-CG 4.35Å; R410-M412 PolarHBondContact O-N 3.44Å; R410-M412 VanDerWaalsContact O-N 3.15Å
411A91.9Very high94.4Very high55 Ų5558.4 Ų58.446%0.45531%0.308SS..SBendtrans-59.6-27.1179.100000112.2P66 V68 F409P66-A411 HydrophobicContact CB-CB 4.14Å; P66-A411 HydrophobicContact CG-CB 3.91Å; P66-A411 WeakPolarHBondContact O-CB 3.47Å; P66-A411 PolarHBondContact O-N 3.3Å; V68-A411 HydrophobicContact CG1-CB 3.71Å; F409-A411 PolarHBondContact O-N 2.92Å
412M93Very high94.5Very high24 Ų2459.3 Ų59.312%0.11832%0.322CS..SBendtrans-123.6120.5175.3-167.4179.3-54.600109.3I58 Q61 Y62 R410 F417I58-M412 HydrophobicContact CG2-CE 4.35Å; I58-M412 HydrophobicContact CG2-SD 4.22Å; Q61-M412 HydrophobicContact CB-CE 4.31Å; Y62-M412 HydrophobicContact CD2-CG 4.4Å; Y62-M412 HydrophobicContact CD2-SD 4.05Å; R410-M412 PolarHBondContact O-N 3.44Å; R410-M412 VanDerWaalsContact O-N 3.15Å; M412-F417 HydrophobicContact CG-CB 4.22Å; M412-F417 VanDerWaalsContact SD-CA 3.53Å; M412-F417 HydrophobicContact SD-CB 3.78Å; M412-F417 HydrophobicContact SD-CD2 4.1Å; M412-F417 HydrophobicContact SD-CG 4.47Å
413S93.2Very high94.6Very high58 Ų5859.8 Ų59.841%0.40633%0.331SS..  trans-73.6164.5169.866.50000110.9Q415 G416 F417S413-Q415 PolarHBondContact O-N 3.23Å; S413-Q415 PolarHBondContact OG-OE1 3.33Å; S413-G416 PolarHBondContact O-N 2.84Å; S413-G416 VanDerWaalsContact O-N 3.09Å; S413-G416 PolarHBondContact OG-N 3.4Å; S413-F417 PolarHBondContact O-N 3.08Å
414E92.7Very high94.6Very high109 Ų10959.2 Ų59.251%0.50933%0.331SS..Hα-helixtrans-58.9-38.8175-62.7177.817700111.2F417 I418E414-F417 PolarHBondContact O-N 3.14Å; E414-I418 WeakPolarHBondContact O-CG1 3.31Å; E414-I418 PolarHBondContact O-N 3.07Å
415Q94.9Very high94.4Very high135 Ų13559.3 Ų59.363%0.63133%0.326SS*.Hα-helixtrans-67.4-40.8174.8-57.678.822.100111.3S413 F417 I418 A419S413-Q415 PolarHBondContact O-N 3.23Å; S413-Q415 PolarHBondContact OG-OE1 3.33Å; Q415-F417 VanDerWaalsContact C-N 3.33Å; Q415-F417 PolarHBondContact O-N 3.49Å; Q415-I418 PolarHBondContact O-N 2.76Å; Q415-A419 WeakPolarHBondContact O-CB 3.42Å; Q415-A419 PolarHBondContact O-N 3.5Å
416G94.5Very high94.4Very high20 Ų2062 Ų6221%0.20635%0.345CS..Hα-helixtrans-62.8-37.7176.100000112.7S413 A419 N420S413-G416 PolarHBondContact O-N 2.84Å; S413-G416 VanDerWaalsContact O-N 3.09Å; S413-G416 PolarHBondContact OG-N 3.4Å; G416-A419 PolarHBondContact O-N 3.07Å; G416-N420 WeakPolarHBondContact O-CB 3.26Å; G416-N420 PolarHBondContact O-N 2.95Å; G416-N420 PolarHBondContact O-ND2 3.35Å
417F95.3Very high94.3Very high49 Ų4967.2 Ų67.222%0.21537%0.373CS..Hα-helixtrans-60.5-51.5174.1171.2-108.4000111.8I58 V59 Y62 M412 S413 E414 Q415 A419 N420 I421I58-F417 HydrophobicContact CG2-CD2 3.83Å; I58-F417 HydrophobicContact CG2-CE2 4.02Å; V59-F417 HydrophobicContact CG2-CE2 4.04Å; V59-F417 HydrophobicContact CG2-CZ 4.21Å; Y62-F417 HydrophobicContact CD1-CD2 4.1Å; Y62-F417 HydrophobicContact CD1-CE2 4.23Å; Y62-F417 HydrophobicContact CD1-CG 4.31Å; Y62-F417 HydrophobicContact CD2-CB 3.63Å; Y62-F417 AromaticContact CD2-CD2 3.8Å; Y62-F417 HydrophobicContact CD2-CD2 3.8Å; Y62-F417 AromaticContact CD2-CG 3.77Å; Y62-F417 HydrophobicContact CD2-CG 3.77Å; Y62-F417 HydrophobicContact CE2-CB 3.72Å; Y62-F417 HydrophobicContact CE2-CD2 4.48Å; Y62-F417 HydrophobicContact CE2-CG 4.02Å; Y62-F417 HydrophobicContact CG-CB 4.29Å; Y62-F417 AromaticContact CG-CD2 3.57Å; Y62-F417 HydrophobicContact CG-CD2 3.57Å; Y62-F417 HydrophobicContact CG-CE2 4.05Å; Y62-F417 AromaticContact CG-CG 3.92Å; Y62-F417 HydrophobicContact CG-CG 3.92Å; M412-F417 HydrophobicContact CG-CB 4.22Å; M412-F417 VanDerWaalsContact SD-CA 3.53Å; M412-F417 HydrophobicContact SD-CB 3.78Å; M412-F417 HydrophobicContact SD-CD2 4.1Å; M412-F417 HydrophobicContact SD-CG 4.47Å; S413-F417 PolarHBondContact O-N 3.08Å; E414-F417 PolarHBondContact O-N 3.14Å; Q415-F417 VanDerWaalsContact C-N 3.33Å; Q415-F417 PolarHBondContact O-N 3.49Å; F417-A419 VanDerWaalsContact C-N 3.32Å; F417-A419 PolarHBondContact O-N 2.91Å; F417-N420 PolarHBondContact O-N 3.49Å; F417-I421 HydrophobicContact CD2-CG1 4.28Å; F417-I421 HydrophobicContact CE2-CD1 4.17Å; F417-I421 HydrophobicContact CE2-CG1 3.85Å; F417-I421 HydrophobicContact CZ-CD1 4.48Å; F417-I421 HydrophobicContact CZ-CG1 3.99Å; F417-I421 WeakPolarHBondContact O-CG1 3.45Å; F417-I421 PolarHBondContact O-N 2.9Å
418I94.3Very high94.2Very high119 Ų11969.1 Ų69.161%0.6138%0.378SS*.Hα-helixtrans-61.2-43.7178.7-64168.9000110.6E414 Q415 N420 I421 G422E414-I418 WeakPolarHBondContact O-CG1 3.31Å; E414-I418 PolarHBondContact O-N 3.07Å; Q415-I418 PolarHBondContact O-N 2.76Å; I418-N420 PolarHBondContact O-N 2.81Å; I418-I421 PolarHBondContact O-N 3.45Å; I418-G422 PolarHBondContact O-N 3.11Å
419A95.7Very high94.1Very high64 Ų6469.2 Ų69.253%0.52938%0.379SS..Hα-helixtrans-62-42.5178.800000112.3Q415 G416 F417 G422 G423Q415-A419 WeakPolarHBondContact O-CB 3.42Å; Q415-A419 PolarHBondContact O-N 3.5Å; G416-A419 PolarHBondContact O-N 3.07Å; F417-A419 VanDerWaalsContact C-N 3.32Å; F417-A419 PolarHBondContact O-N 2.91Å; A419-G422 PolarHBondContact O-N 3.43Å; A419-G423 PolarHBondContact O-N 3.15Å
420N96.1Very high94Very high74 Ų7466.5 Ų66.540%0.39637%0.373SS..Hα-helixtrans-68-41.8179.6-74.6-25.4000112.3I58 G416 F417 I418 G423 Q424I58-N420 HydrophobicContact CD1-CB 3.81Å; I58-N420 WeakPolarHBondContact CD1-O 3.43Å; I58-N420 HydrophobicContact CG1-CB 4.21Å; I58-N420 HydrophobicContact CG2-CB 3.97Å; G416-N420 WeakPolarHBondContact O-CB 3.26Å; G416-N420 PolarHBondContact O-N 2.95Å; G416-N420 PolarHBondContact O-ND2 3.35Å; F417-N420 PolarHBondContact O-N 3.49Å; I418-N420 PolarHBondContact O-N 2.81Å; N420-G423 PolarHBondContact O-N 3.39Å; N420-Q424 PolarHBondContact O-N 2.79Å; N420-Q424 VanDerWaalsContact O-N 3.07Å
421I95.2Very high93.8Very high45 Ų4560.8 Ų60.823%0.23135%0.353CS..Hα-helixtrans-62.7-46.7174-66.4-65000110.5C55 I58 V59 F417 I418 G423 Q424 Y425C55-I421 HydrophobicContact CB-CD1 4.03Å; I58-I421 HydrophobicContact CB-CD1 3.93Å; I58-I421 HydrophobicContact CD1-CD1 4.33Å; I58-I421 HydrophobicContact CG2-CD1 3.75Å; I58-I421 HydrophobicContact CG2-CG1 4.03Å; V59-I421 HydrophobicContact CG2-CD1 4.15Å; F417-I421 HydrophobicContact CD2-CG1 4.28Å; F417-I421 HydrophobicContact CE2-CD1 4.17Å; F417-I421 HydrophobicContact CE2-CG1 3.85Å; F417-I421 HydrophobicContact CZ-CD1 4.48Å; F417-I421 HydrophobicContact CZ-CG1 3.99Å; F417-I421 WeakPolarHBondContact O-CG1 3.45Å; F417-I421 PolarHBondContact O-N 2.9Å; I418-I421 PolarHBondContact O-N 3.45Å; I421-G423 VanDerWaalsContact C-N 3.27Å; I421-G423 PolarHBondContact O-N 3.47Å; I421-Q424 PolarHBondContact O-N 2.89Å; I421-Y425 PolarHBondContact O-N 3.1Å; I421-Y425 VanDerWaalsContact O-N 3.09Å
422G94.7Very high93.8Very high36 Ų3660.8 Ų60.837%0.37135%0.349SS..Hα-helixtrans-58.4-39.1174.700000112.5I418 A419 Y425 S426I418-G422 PolarHBondContact O-N 3.11Å; A419-G422 PolarHBondContact O-N 3.43Å; G422-Y425 PolarHBondContact O-N 3.12Å; G422-S426 VanDerWaalsContact O-CB 3.29Å; G422-S426 WeakPolarHBondContact O-CB 3.31Å; G422-S426 PolarHBondContact O-N 3.21Å
423G95.5Very high93.7Very high36 Ų3665.2 Ų65.237%0.37138%0.377SS..Hα-helixtrans-62.2-45.3176.300000113.2A419 N420 I421 S426 L427A419-G423 PolarHBondContact O-N 3.15Å; N420-G423 PolarHBondContact O-N 3.39Å; I421-G423 VanDerWaalsContact C-N 3.27Å; I421-G423 PolarHBondContact O-N 3.47Å; G423-S426 PolarHBondContact O-N 3.36Å; G423-L427 WeakPolarHBondContact O-CB 3.39Å; G423-L427 PolarHBondContact O-N 2.77Å
424Q95.1Very high93.6Very high48 Ų4868.4 Ų68.422%0.22439%0.389CS..Hα-helixtrans-62.9-44.8175-67.2-61-34.300111.6I58 N420 I421 W428I58-Q424 HydrophobicContact CD1-CG 3.44Å; I58-Q424 VanDerWaalsContact CD1-CG 3.44Å; N420-Q424 PolarHBondContact O-N 2.79Å; N420-Q424 VanDerWaalsContact O-N 3.07Å; I421-Q424 PolarHBondContact O-N 2.89Å; Q424-W428 PolarHBondContact O-N 3.31Å
425Y92.7Very high93.5Very high50 Ų5063.3 Ų63.320%0.19637%0.365CS..Hα-helixtrans-63.1-44.2179.2179.6-111.1000112.3I421 G422 L429 G431 S432 T435I421-Y425 PolarHBondContact O-N 3.1Å; I421-Y425 VanDerWaalsContact O-N 3.09Å; G422-Y425 PolarHBondContact O-N 3.12Å; Y425-L429 HydrophobicContact CD2-CB 4.47Å; Y425-L429 HydrophobicContact CD2-CD1 3.8Å; Y425-L429 HydrophobicContact CE2-CB 4.39Å; Y425-L429 HydrophobicContact CE2-CD1 3.77Å; Y425-L429 WeakPolarHBondContact O-CB 3.4Å; Y425-L429 PolarHBondContact O-N 2.61Å; Y425-L429 VanDerWaalsContact O-N 3.13Å; Y425-G431 WeakPolarHBondContact CD1-O 3.34Å; Y425-G431 VanDerWaalsContact CE1-CA 3.41Å; Y425-S432 WeakPolarHBondContact CE1-O 3.22Å; Y425-T435 WeakPolarHBondContact OH-CB 3.34Å; Y425-T435 WeakPolarHBondContact OH-CG2 3.3Å
426S94.7Very high93.2Very high68 Ų6861 Ų6148%0.47636%0.357SS..Hα-helixtrans-68.7-42.7178.7-176.80000112.3G422 G423 G430 G431G422-S426 VanDerWaalsContact O-CB 3.29Å; G422-S426 WeakPolarHBondContact O-CB 3.31Å; G422-S426 PolarHBondContact O-N 3.21Å; G423-S426 PolarHBondContact O-N 3.36Å; S426-G430 WeakPolarHBondContact O-CA 3.32Å; S426-G430 PolarHBondContact O-N 2.88Å; S426-G431 WeakPolarHBondContact CA-O 3.41Å
427L94.8Very high93.1Very high129 Ų12963.3 Ų63.368%0.67537%0.367SS*.Hα-helixtrans-64.6-49.3-177.7178.463.6000112.7G423G423-L427 WeakPolarHBondContact O-CB 3.39Å; G423-L427 PolarHBondContact O-N 2.77Å
428W95.1Very high92.8Very high107 Ų10764.5 Ų64.541%0.40537%0.373SS..Hα-helixtrans-86.9-36-172.1-66.5109.8000113.1A47 A50 A51 Q424A47-W428 HydrophobicContact CB-CB 4.43Å; A47-W428 WeakPolarHBondContact CB-O 3.19Å; A50-W428 HydrophobicContact CB-CD2 3.64Å; A50-W428 HydrophobicContact CB-CE3 3.72Å; A50-W428 HydrophobicContact CB-CG 4.36Å; A50-W428 HydrophobicContact CB-CH2 3.72Å; A50-W428 HydrophobicContact CB-CZ2 3.63Å; A50-W428 HydrophobicContact CB-CZ3 3.75Å; A51-W428 HydrophobicContact CB-CB 3.76Å; A51-W428 HydrophobicContact CB-CG 4.02Å; Q424-W428 PolarHBondContact O-N 3.31Å
429L92.5Very high92.5Very high29 Ų2960.4 Ų60.415%0.15235%0.352CS..Hα-helixtrans-108.9-7.6-173.8-57.7178.8000113.4L22 H23 A47 L48 A51 Y425 G431L22-L429 HydrophobicContact CD2-CB 4.02Å; H23-L429 PolarHBondContact N-O 3.05Å; A47-L429 HydrophobicContact CB-CD2 4.4Å; L48-L429 HydrophobicContact CD1-CD1 4.47Å; A51-L429 HydrophobicContact CB-CG 4.48Å; Y425-L429 HydrophobicContact CD2-CB 4.47Å; Y425-L429 HydrophobicContact CD2-CD1 3.8Å; Y425-L429 HydrophobicContact CE2-CB 4.39Å; Y425-L429 HydrophobicContact CE2-CD1 3.77Å; Y425-L429 WeakPolarHBondContact O-CB 3.4Å; Y425-L429 PolarHBondContact O-N 2.61Å; Y425-L429 VanDerWaalsContact O-N 3.13Å; L429-G431 PolarHBondContact O-N 3.48Å
430G90.6Very high92.3Very high18 Ų1862.6 Ų62.619%0.18636%0.355CS..  trans68.39.4-17500000114S426S426-G430 WeakPolarHBondContact O-CA 3.32Å; S426-G430 PolarHBondContact O-N 2.88Å
431G87.5Confident92.1Very high4 Ų464.2 Ų64.24%0.04136%0.363CS..  trans-84.8161.2-171.300000113.6Y425 S426 L429 T435Y425-G431 WeakPolarHBondContact CD1-O 3.34Å; Y425-G431 VanDerWaalsContact CE1-CA 3.41Å; S426-G431 WeakPolarHBondContact CA-O 3.41Å; L429-G431 PolarHBondContact O-N 3.48Å; G431-T435 WeakPolarHBondContact CA-OG1 3.45Å
432S91.5Very high91.7Very high55 Ų5564.2 Ų64.239%0.38536%0.361SS..  trans-126178.1166.2690000111.2Y425 L434 T435 L436Y425-S432 WeakPolarHBondContact CE1-O 3.22Å; S432-L434 PolarHBondContact O-N 2.72Å; S432-L434 VanDerWaalsContact O-N 3.17Å; S432-L434 PolarHBondContact OG-N 3.17Å; S432-T435 PolarHBondContact N-OG1 3.18Å; S432-T435 WeakPolarHBondContact O-CA 3.32Å; S432-T435 VanDerWaalsContact O-CB 3.25Å; S432-T435 WeakPolarHBondContact O-CB 3.5Å; S432-T435 PolarHBondContact O-N 2.82Å; S432-T435 PolarHBondContact O-OG1 3.26Å; S432-T435 PolarHBondContact OG-OG1 3.15Å; S432-L436 PolarHBondContact O-N 3.06Å; S432-L436 VanDerWaalsContact O-N 3.13Å
433V90.5Very high91.4Very high116 Ų11667.9 Ų67.970%0.70337%0.367SS*.Hα-helixtrans-53.1-35.5170.5177.50000111.2T435 L436 V437V433-T435 PolarHBondContact O-N 2.83Å; V433-L436 WeakPolarHBondContact O-CB 3.41Å; V433-L436 PolarHBondContact O-N 3.43Å; V433-V437 WeakPolarHBondContact O-CG2 3.29Å; V433-V437 PolarHBondContact O-N 2.9Å
434L91.1Very high91.2Very high126 Ų12667.9 Ų67.966%0.6637%0.367SS*.Hα-helixtrans-65.5-38176.3-62177.6000112.2S432 L436 V437 Q438S432-L434 PolarHBondContact O-N 2.72Å; S432-L434 VanDerWaalsContact O-N 3.17Å; S432-L434 PolarHBondContact OG-N 3.17Å; L434-L436 VanDerWaalsContact C-N 3.31Å; L434-L436 PolarHBondContact O-N 2.92Å; L434-V437 PolarHBondContact O-N 3.26Å; L434-Q438 WeakPolarHBondContact O-CG 3.26Å; L434-Q438 PolarHBondContact O-N 3.3Å
435T90.8Very high90.9Very high1 Ų172.9 Ų72.91%0.00639%0.388CS..Hα-helixtrans-62.1-40.5174.3-45.10000111.4T21 L22 Y425 G431 S432 V433 Q438 L439T21-T435 VanDerWaalsContact OG1-CB 3.28Å; T21-T435 WeakPolarHBondContact OG1-CB 3.4Å; T21-T435 VanDerWaalsContact OG1-CG2 3.27Å; T21-T435 WeakPolarHBondContact OG1-CG2 3.15Å; T21-T435 PolarHBondContact OG1-OG1 3.44Å; L22-T435 HydrophobicContact CD2-CG2 3.63Å; L22-T435 HydrophobicContact CG-CG2 3.55Å; Y425-T435 WeakPolarHBondContact OH-CB 3.34Å; Y425-T435 WeakPolarHBondContact OH-CG2 3.3Å; G431-T435 WeakPolarHBondContact CA-OG1 3.45Å; S432-T435 PolarHBondContact N-OG1 3.18Å; S432-T435 WeakPolarHBondContact O-CA 3.32Å; S432-T435 VanDerWaalsContact O-CB 3.25Å; S432-T435 WeakPolarHBondContact O-CB 3.5Å; S432-T435 PolarHBondContact O-N 2.82Å; S432-T435 PolarHBondContact O-OG1 3.26Å; S432-T435 PolarHBondContact OG-OG1 3.15Å; V433-T435 PolarHBondContact O-N 2.83Å; T435-Q438 WeakPolarHBondContact O-CB 3.25Å; T435-Q438 PolarHBondContact O-N 2.98Å; T435-L439 WeakPolarHBondContact O-CG 3.03Å; T435-L439 PolarHBondContact O-N 3.48Å
436L89.2Confident90.5Very high88 Ų8872.6 Ų72.646%0.46139%0.393SS..Hα-helixtrans-64.2-42.9175.3-177.564.5000111.2S432 V433 L434 Q438 L439 L440S432-L436 PolarHBondContact O-N 3.06Å; S432-L436 VanDerWaalsContact O-N 3.13Å; V433-L436 WeakPolarHBondContact O-CB 3.41Å; V433-L436 PolarHBondContact O-N 3.43Å; L434-L436 VanDerWaalsContact C-N 3.31Å; L434-L436 PolarHBondContact O-N 2.92Å; L436-Q438 VanDerWaalsContact C-N 3.35Å; L436-Q438 PolarHBondContact O-N 3.12Å; L436-L439 WeakPolarHBondContact O-CB 3.29Å; L436-L439 PolarHBondContact O-N 2.67Å; L436-L440 HydrophobicContact CG-CD1 4.29Å; L436-L440 WeakPolarHBondContact O-CG 3.24Å; L436-L440 PolarHBondContact O-N 2.91Å
437V91.8Very high90.1Very high68 Ų6874.1 Ų74.141%0.41240%0.395SS..Hα-helixtrans-60.7-43.6173.9172.90000111V433 L434 L439 L440 L441V433-V437 WeakPolarHBondContact O-CG2 3.29Å; V433-V437 PolarHBondContact O-N 2.9Å; L434-V437 PolarHBondContact O-N 3.26Å; V437-L439 PolarHBondContact O-N 2.83Å; V437-L440 PolarHBondContact O-N 3.27Å; V437-L441 HydrophobicContact CG1-CD1 3.98Å; V437-L441 HydrophobicContact CG1-CG 4.34Å; V437-L441 WeakPolarHBondContact O-CB 2.81Å; V437-L441 VanDerWaalsContact O-CG 3.27Å; V437-L441 WeakPolarHBondContact O-CG 3.41Å; V437-L441 PolarHBondContact O-N 3.04Å
438Q89.4Confident89.8Confident73 Ų7377.1 Ų77.134%0.34140%0.398SS..Hα-helixtrans-59.3-44.3175.6-73.3172.7-1600112T21 L434 T435 L436 L441 F442T21-Q438 PolarHBondContact OG1-OE1 3.26Å; T21-Q438 VanDerWaalsContact OG1-OE1 3.06Å; L434-Q438 WeakPolarHBondContact O-CG 3.26Å; L434-Q438 PolarHBondContact O-N 3.3Å; T435-Q438 WeakPolarHBondContact O-CB 3.25Å; T435-Q438 PolarHBondContact O-N 2.98Å; L436-Q438 VanDerWaalsContact C-N 3.35Å; L436-Q438 PolarHBondContact O-N 3.12Å; Q438-L441 PolarHBondContact O-N 3.07Å; Q438-F442 WeakPolarHBondContact O-CB 3.35Å; Q438-F442 PolarHBondContact O-N 3.23Å
439L88.4Confident89.3Confident33 Ų3376.8 Ų76.817%0.17340%0.399CS..Hα-helixtrans-61-47.8175.1-78.1165.9000111.8F16 L22 T435 L436 V437 L441 F442 F443F16-L439 HydrophobicContact CE1-CD2 3.9Å; F16-L439 HydrophobicContact CE2-CD2 4.44Å; F16-L439 HydrophobicContact CZ-CD2 3.43Å; F16-L439 VanDerWaalsContact CZ-CD2 3.43Å; F16-L439 HydrophobicContact CZ-CG 4.05Å; L22-L439 HydrophobicContact CD1-CD1 4.17Å; L22-L439 HydrophobicContact CD1-CD2 4.11Å; L22-L439 HydrophobicContact CD1-CG 4.41Å; T435-L439 WeakPolarHBondContact O-CG 3.03Å; T435-L439 PolarHBondContact O-N 3.48Å; L436-L439 WeakPolarHBondContact O-CB 3.29Å; L436-L439 PolarHBondContact O-N 2.67Å; V437-L439 PolarHBondContact O-N 2.83Å; L439-L441 VanDerWaalsContact C-N 3.33Å; L439-L441 PolarHBondContact O-N 2.88Å; L439-F442 WeakPolarHBondContact O-CB 3.33Å; L439-F442 PolarHBondContact O-N 3.43Å; L439-F443 HydrophobicContact CD2-CE2 4.19Å; L439-F443 WeakPolarHBondContact O-CD2 3.46Å; L439-F443 PolarHBondContact O-N 3.43Å
440L91.9Very high88.7Confident111 Ų11178.4 Ų78.458%0.58141%0.413SS*.Hα-helixtrans-62-40.8178.9-71.8173.4000111.7L436 V437 G444L436-L440 HydrophobicContact CG-CD1 4.29Å; L436-L440 WeakPolarHBondContact O-CG 3.24Å; L436-L440 PolarHBondContact O-N 2.91Å; V437-L440 PolarHBondContact O-N 3.27Å; L440-G444 PolarHBondContact O-N 2.91Å
441L90.9Very high88.4Confident108 Ų10881.9 Ų81.957%0.56543%0.427SS*.Hα-helixtrans-64.6-40.1174.2-71.7173000111.9V437 Q438 L439 K445V437-L441 HydrophobicContact CG1-CD1 3.98Å; V437-L441 HydrophobicContact CG1-CG 4.34Å; V437-L441 WeakPolarHBondContact O-CB 2.81Å; V437-L441 VanDerWaalsContact O-CG 3.27Å; V437-L441 WeakPolarHBondContact O-CG 3.41Å; V437-L441 PolarHBondContact O-N 3.04Å; Q438-L441 PolarHBondContact O-N 3.07Å; L439-L441 VanDerWaalsContact C-N 3.33Å; L439-L441 PolarHBondContact O-N 2.88Å; L441-K445 WeakPolarHBondContact O-CB 3.49Å; L441-K445 WeakPolarHBondContact O-CG 3.43Å; L441-K445 PolarHBondContact O-N 3.26Å
442F87.7Confident88.2Confident45 Ų4584.2 Ų84.220%0.19745%0.445CS..Hα-helixtrans-63.3-51.2176.5175.3-99.3000111.5F13 F16 Q438 L439 G444 K445 S446F13-F442 HydrophobicContact CB-CZ 4.47Å; F13-F442 HydrophobicContact CD2-CE1 4.35Å; F13-F442 AromaticContact CD2-CZ 3.97Å; F13-F442 HydrophobicContact CD2-CZ 3.97Å; F16-F442 HydrophobicContact CB-CD2 3.88Å; F16-F442 HydrophobicContact CB-CE2 3.78Å; F16-F442 HydrophobicContact CB-CZ 4.42Å; F16-F442 HydrophobicContact CD2-CB 3.88Å; F16-F442 AromaticContact CD2-CD2 3.75Å; F16-F442 HydrophobicContact CD2-CD2 3.75Å; F16-F442 HydrophobicContact CD2-CE2 4.46Å; F16-F442 AromaticContact CD2-CG 3.8Å; F16-F442 HydrophobicContact CD2-CG 3.8Å; F16-F442 HydrophobicContact CE2-CB 3.89Å; F16-F442 HydrophobicContact CE2-CG 4.16Å; F16-F442 AromaticContact CG-CD2 3.85Å; F16-F442 HydrophobicContact CG-CD2 3.85Å; F16-F442 HydrophobicContact CG-CE2 4.1Å; F16-F442 HydrophobicContact CG-CG 4.08Å; Q438-F442 WeakPolarHBondContact O-CB 3.35Å; Q438-F442 PolarHBondContact O-N 3.23Å; L439-F442 WeakPolarHBondContact O-CB 3.33Å; L439-F442 PolarHBondContact O-N 3.43Å; F442-G444 PolarHBondContact O-N 3.5Å; F442-K445 PolarHBondContact O-N 2.85Å; F442-S446 WeakPolarHBondContact O-CB 3.5Å; F442-S446 PolarHBondContact O-N 3.5Å
443F88Confident87.5Confident112 Ų11283.3 Ų83.349%0.49144%0.441SS..Hα-helixtrans-63.4-41.7176.6-73.4-61.4000111.9L439 K445 S446 I447L439-F443 HydrophobicContact CD2-CE2 4.19Å; L439-F443 WeakPolarHBondContact O-CD2 3.46Å; L439-F443 PolarHBondContact O-N 3.43Å; F443-K445 PolarHBondContact O-N 2.84Å; F443-S446 PolarHBondContact O-N 2.95Å; F443-I447 WeakPolarHBondContact O-CB 3.25Å; F443-I447 VanDerWaalsContact O-CG1 3.25Å; F443-I447 WeakPolarHBondContact O-CG1 3.28Å; F443-I447 PolarHBondContact O-N 2.97Å
444G90.8Very high86.7Confident37 Ų3784.7 Ų84.738%0.38144%0.444SS..Hα-helixtrans-57.9-46175.400000112.4L440 F442 W448L440-G444 PolarHBondContact O-N 2.91Å; F442-G444 PolarHBondContact O-N 3.5Å; G444-W448 VanDerWaalsContact O-CB 3.26Å; G444-W448 WeakPolarHBondContact O-CB 3.35Å; G444-W448 PolarHBondContact O-N 2.89Å
445K88.3Confident85.5Confident153 Ų15383.8 Ų83.867%0.66545%0.447SS*.Hα-helixtrans-62.9-42.2173.7-77.3-179.6178.8-178.70112.5L441 F442 F443 W448 K449L441-K445 WeakPolarHBondContact O-CB 3.49Å; L441-K445 WeakPolarHBondContact O-CG 3.43Å; L441-K445 PolarHBondContact O-N 3.26Å; F442-K445 PolarHBondContact O-N 2.85Å; F443-K445 PolarHBondContact O-N 2.84Å; K445-W448 PolarHBondContact O-N 3.07Å; K445-K449 WeakPolarHBondContact O-CG 3.27Å; K445-K449 PolarHBondContact O-N 3.41Å
446S84.3Confident83.8Confident43 Ų4386.2 Ų86.230%0.30147%0.473SS..Hα-helixtrans-65.6-43.8179.9-172.70000112.1F442 F443 K449 S450F442-S446 WeakPolarHBondContact O-CB 3.5Å; F442-S446 PolarHBondContact O-N 3.5Å; F443-S446 PolarHBondContact O-N 2.95Å; S446-K449 PolarHBondContact O-N 3.34Å; S446-S450 WeakPolarHBondContact O-CB 3.38Å; S446-S450 PolarHBondContact O-N 2.94Å; S446-S450 PolarHBondContact O-OG 2.72Å
447I87.2Confident81.6Confident100 Ų10087.9 Ų87.951%0.51349%0.488SS..Hα-helixtrans-63.9-46.4174.7-68.2166.2000109.7F443 K449 S450 L451F443-I447 WeakPolarHBondContact O-CB 3.25Å; F443-I447 VanDerWaalsContact O-CG1 3.25Å; F443-I447 WeakPolarHBondContact O-CG1 3.28Å; F443-I447 PolarHBondContact O-N 2.97Å; I447-K449 PolarHBondContact O-N 3.34Å; I447-S450 WeakPolarHBondContact O-CB 3.41Å; I447-S450 PolarHBondContact O-N 3.49Å; I447-S450 VanDerWaalsContact O-N 3.1Å; I447-L451 HydrophobicContact CG2-CD1 3.73Å; I447-L451 HydrophobicContact CG2-CG 4.14Å; I447-L451 WeakPolarHBondContact O-CB 3.31Å; I447-L451 WeakPolarHBondContact O-CG 3.28Å; I447-L451 PolarHBondContact O-N 3.2Å
448W87.7Confident79.1Confident193 Ų19388.3 Ų88.373%0.73151%0.507SS*.Hα-helixtrans-57.4-47.4176.9-177.9-93.6000112.3G444 K445 S450 L451 A452G444-W448 VanDerWaalsContact O-CB 3.26Å; G444-W448 WeakPolarHBondContact O-CB 3.35Å; G444-W448 PolarHBondContact O-N 2.89Å; K445-W448 PolarHBondContact O-N 3.07Å; W448-S450 VanDerWaalsContact C-N 3.29Å; W448-S450 PolarHBondContact O-N 3.03Å; W448-L451 PolarHBondContact O-N 2.96Å; W448-A452 VanDerWaalsContact O-CB 3.24Å; W448-A452 WeakPolarHBondContact O-CB 3.47Å; W448-A452 PolarHBondContact O-N 2.95Å
449K84.9Confident76.6Confident100 Ų10095.7 Ų95.744%0.43553%0.532SS..Hα-helixtrans-60-39.8175-76.6-171.4177.1-168.60111.9E8 K445 S446 I447 A453E8-K449 IonicContact OE1-NZ 2.85Å; E8-K449 PolarHBondContact OE1-NZ 3.47Å; K445-K449 WeakPolarHBondContact O-CG 3.27Å; K445-K449 PolarHBondContact O-N 3.41Å; S446-K449 PolarHBondContact O-N 3.34Å; I447-K449 PolarHBondContact O-N 3.34Å; K449-A453 VanDerWaalsContact O-CB 3.29Å; K449-A453 WeakPolarHBondContact O-CB 3.35Å; K449-A453 PolarHBondContact O-N 2.93Å
450S81Confident73.9Confident63 Ų63104.3 Ų104.344%0.44157%0.568SS.*Hα-helixtrans-68.7-42.7179.3-58.80000112.1S446 I447 W448 A453 L454S446-S450 WeakPolarHBondContact O-CB 3.38Å; S446-S450 PolarHBondContact O-N 2.94Å; S446-S450 PolarHBondContact O-OG 2.72Å; I447-S450 WeakPolarHBondContact O-CB 3.41Å; I447-S450 PolarHBondContact O-N 3.49Å; I447-S450 VanDerWaalsContact O-N 3.1Å; W448-S450 VanDerWaalsContact C-N 3.29Å; W448-S450 PolarHBondContact O-N 3.03Å; S450-A453 WeakPolarHBondContact O-CB 3.49Å; S450-A453 PolarHBondContact O-N 3.44Å; S450-L454 WeakPolarHBondContact O-CD1 3.37Å; S450-L454 WeakPolarHBondContact O-CG 3.28Å; S450-L454 PolarHBondContact O-N 3.33Å; S450-L454 VanDerWaalsContact O-N 3.11Å
451L84.4Confident71.3Confident91 Ų91105.6 Ų105.648%0.47657%0.574SS.*Hα-helixtrans-66.9-44.1174.8-70.9174.2000111.6I447 W448 A453 L454 C455I447-L451 HydrophobicContact CG2-CD1 3.73Å; I447-L451 HydrophobicContact CG2-CG 4.14Å; I447-L451 WeakPolarHBondContact O-CB 3.31Å; I447-L451 WeakPolarHBondContact O-CG 3.28Å; I447-L451 PolarHBondContact O-N 3.2Å; W448-L451 PolarHBondContact O-N 2.96Å; L451-A453 PolarHBondContact O-N 3.37Å; L451-L454 PolarHBondContact O-N 3.46Å; L451-C455 PolarHBondContact O-N 3.22Å
452A83.1Confident68.5Low52 Ų52110.2 Ų110.243%0.4359%0.589SS.*Hα-helixtrans-60-33.4174.200000111.8W448 G456W448-A452 VanDerWaalsContact O-CB 3.24Å; W448-A452 WeakPolarHBondContact O-CB 3.47Å; W448-A452 PolarHBondContact O-N 2.95Å; A452-G456 WeakPolarHBondContact O-CA 3.27Å; A452-G456 PolarHBondContact O-N 3.25Å
453A76.8Confident66.1Low37 Ų37112.4 Ų112.431%0.30661%0.61SS.*Hα-helixtrans-75.1-20.5174.600000114.2K449 S450 L451K449-A453 VanDerWaalsContact O-CB 3.29Å; K449-A453 WeakPolarHBondContact O-CB 3.35Å; K449-A453 PolarHBondContact O-N 2.93Å; S450-A453 WeakPolarHBondContact O-CB 3.49Å; S450-A453 PolarHBondContact O-N 3.44Å; L451-A453 PolarHBondContact O-N 3.37Å
454L72.9Confident63.6Low144 Ų144116.5 Ų116.575%0.75463%0.631SS**Hα-helixtrans-92-33.1176.9-75161000112.4S450 L451S450-L454 WeakPolarHBondContact O-CD1 3.37Å; S450-L454 WeakPolarHBondContact O-CG 3.28Å; S450-L454 PolarHBondContact O-N 3.33Å; S450-L454 VanDerWaalsContact O-N 3.11Å; L451-L454 PolarHBondContact O-N 3.46Å
455C66.5Low61.1Low107 Ų107122.5 Ų122.572%0.72365%0.652SS**Hα-helixtrans-99.9-0.3-179.4-65.70000114L451 P457L451-C455 PolarHBondContact O-N 3.22Å; C455-P457 WeakPolarHBondContact O-CD 3.48Å
456G54.6Low58.5Low53 Ų53118.3 Ų118.355%0.54665%0.653SS.*  trans-102.2103.9-175.900000113.7A452A452-G456 WeakPolarHBondContact O-CA 3.27Å; A452-G456 PolarHBondContact O-N 3.25Å
457P43.2Very low56Low122 Ų122123.1 Ų123.179%0.79268%0.681SS**  trans-92.3169-17513.56.8000112.5C455 R459C455-P457 WeakPolarHBondContact O-CD 3.48Å; P457-R459 PolarHBondContact O-N 3.36Å
458G39.1Very low53.5Low78 Ų78127.4 Ų127.480%0.80470%0.696SS**  trans-51124.7-178.300000115
459R36.4Very low50.9Low227 Ų227128 Ų12886%0.85770%0.704SS**  trans-165.5106.4145-105.9170.9-162.2174.75.2108.5P457 I461P457-R459 PolarHBondContact O-N 3.36Å; R459-I461 PolarHBondContact O-N 3.1Å
460K31.9Very low48.6Very low215 Ų215129 Ų12994%0.93572%0.718SS**  trans-65.5108.4161.3-79179.6176176.20106.9
461I37.6Very low46.4Very low137 Ų137134.4 Ų134.470%0.70374%0.736SS**  trans-113.5103.6160.3-67.9176.4000106.3R459R459-I461 PolarHBondContact O-N 3.1Å
462K31.9Very low44Very low205 Ų205136.3 Ų136.389%0.89176%0.757SS**  trans-64.6126.2155.9-82-178.5169.9-172.90106.6
463S37.8Very low41.7Very low92 Ų92137.3 Ų137.364%0.64377%0.772SS**  trans-139.298.6154.565.70000109I465S463-I465 PolarHBondContact O-N 3.17Å
464E35.1Very low39.5Very low198 Ų198146.5 Ų146.593%0.92580%0.799SS**  trans-65100.1152.6-73.5172.5139.200108.4
465I37.6Very low37.8Very low162 Ų162147.6 Ų147.683%0.83180%0.8SS**  trans-145.2115.9156.9-69.2160.8000101.9S463S463-I465 PolarHBondContact O-N 3.17Å
466G33.8Very low36.3Very low66 Ų66149.7 Ų149.768%0.6880%0.802SS**  cis145.8107.233.900000103.9K468G466-K468 PolarHBondContact O-N 3.19Å
467T33Very low35.4Very low144 Ų144152.2 Ų152.288%0.88381%0.807SS**  trans-54.6119.2166.940.10000109.8
468K33.7Very low35.2Very low190 Ų190153 Ų15383%0.82681%0.81SS**  trans163.8113146.4-95.4171.2-176.4-175.70107.9G466G466-K468 PolarHBondContact O-N 3.19Å
469F34.5Very low35.1Very low205 Ų205158.4 Ų158.490%0.89981%0.811SS**  trans-174.592131.7-104.6-74.4000108.4
470V36.4Very low34.9Very low120 Ų120150.8 Ų150.873%0.72780%0.804SS**  trans-88.8142.4158.7164.40000106.8
471H33.3Very low35.2Very low178 Ų178147.8 Ų147.882%0.82480%0.796SS**  trans72.8108.5170.3-72.2-46.2000119.2
472S33.8Very low35.2Very low131 Ų131150.2 Ų150.292%0.91681%0.807SS**  163.3131105.8-169.90000109.6
473G35.1Very low35.7Very low73 Ų73149.3 Ų149.375%0.75381%0.805SS**  trans148.469.217300000115
474R31.5Very low35.7Very low230 Ų230152.3 Ų152.387%0.86881%0.814SS**  trans-68.5156.3155.9-89.3178.4173169.5-2.7109.1
475H36Very low35.8Very low166 Ų166146.1 Ų146.177%0.76980%0.803SS**  trans95.9109.2165.9-75.1-78.8000117.8
476I37Very low36.1Very low151 Ų151146.5 Ų146.577%0.77481%0.807SS**  153.495.5116.5-79.4144.3000109.4
477T35.4Very low36.3Very low107 Ų107153.9 Ų153.966%0.65684%0.838SS**  89.5102.194.6-37.60000112.6
478V37.7Very low36.5Very low139 Ų139154.4 Ų154.484%0.84284%0.836SS**  trans-83.3117.3165.9174.20000107.7G480V478-G480 PolarHBondContact O-N 3.22Å
479F36.7Very low36.6Very low191 Ų191152.5 Ų152.584%0.83884%0.836SS**  trans-79.2102.7166.9-100.5-92000108.8
480G34.1Very low36.7Very low67 Ų67149.6 Ų149.669%0.69183%0.833SS**  trans-99.1123.4159.200000108.5V478V478-G480 PolarHBondContact O-N 3.22Å
481I38.3Very low36.7Very low151 Ų151151.3 Ų151.377%0.77484%0.839SS**  trans-96.9101.8169.3-62.5173.8000106
482M36.7Very low37Very low188 Ų188149.6 Ų149.693%0.92684%0.84SS**  trans-113.2122.7154.6-86-171.417700106.5
483H41.7Very low37.2Very low186 Ų186150.9 Ų150.986%0.86184%0.835SS**  trans-98.2113.6169.2-127.1-68.3000106.5
484D38.3Very low37.3Very low156 Ų156156.4 Ų156.483%0.83484%0.841SS**  trans-103.5137.7166.9-112.8-21.6000109.3
485G37Very low37.8Very low67 Ų67150.8 Ų150.869%0.69184%0.839SS**  trans44121.5143.800000121.5
486N43.4Very low37.9Very low170 Ų170149.5 Ų149.591%0.90985%0.845SS**  -150.9133.9125.1-105.1-20.3000110.5
487V38.6Very low38Very low221 Ų221149.4 Ų149.4100%1.33985%0.851SS**  trans85.90-172.1-168.40000115.8

Retrieved 487 of 487 residues in 392 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).