A0A077Z9K8_TRITR Loading...

Ribosome assembly factor mrt4

Component of the ribosome assembly machinery. Nuclear paralog of the ribosomal protein P0, it binds pre-60S subunits at an early stage of assembly in the nucleolus, and is replaced by P0 in cytoplasmic pre-60S subunits and mature 80S ribosomes.

AlphaFold DB , UniProt , Accession A0A077Z9K8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 247 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.9Low70.8Confident235 Ų235164 Ų164100%1.15879%0.787SS**  0131.70-75177.4174.200108.8R3M1-R3 PolarHBondContact O-N 3.14Å
2P70.9Confident70.7Confident130 Ų130162.8 Ų162.884%0.84479%0.787SS**PPolyproline II helixtrans-61.4131.6174.7-16.529.1000110S4P2-S4 PolarHBondContact O-N 2.97Å
3R68.1Low70.5Confident237 Ų237159.1 Ų159.189%0.89478%0.78SS**PPolyproline II helixtrans-66.2127.5172.1-71.2-171.2-178.4-171.90.8108.8M1M1-R3 PolarHBondContact O-N 3.14Å
4S79.8Confident70.2Confident68 Ų68159.4 Ų159.448%0.47678%0.779SS.*PPolyproline II helixtrans-63.8135177.9172.50000110.1P2 R6 D7P2-S4 PolarHBondContact O-N 2.97Å; S4-R6 PolarHBondContact O-N 3.18Å; S4-R6 PolarHBondContact OG-N 3.27Å; S4-D7 VanDerWaalsContact O-CB 3.27Å; S4-D7 WeakPolarHBondContact O-CB 3.3Å; S4-D7 PolarHBondContact O-N 2.82Å
5K71.2Confident70Confident209 Ų209156.6 Ų156.691%0.90978%0.775SS**THydrogen-bonded Turntrans-57.6-18.4172.1-91.8-177.5176.1176.90113.4
6R74.4Confident70.1Confident233 Ų233159.1 Ų159.188%0.87978%0.78SS**THydrogen-bonded Turntrans-85-14.5176.2-61.5-175.8-178.7-179.31113S4 K8S4-R6 PolarHBondContact O-N 3.18Å; S4-R6 PolarHBondContact OG-N 3.27Å; R6-K8 PolarHBondContact O-N 3.48Å
7D71.4Confident70.1Confident130 Ų130161.8 Ų161.870%0.69579%0.786SS**  trans-81.265.8179.2-150.212.7000109.2S4S4-D7 VanDerWaalsContact O-CB 3.27Å; S4-D7 WeakPolarHBondContact O-CB 3.3Å; S4-D7 PolarHBondContact O-N 2.82Å
8K71Confident70Confident162 Ų162162.9 Ų162.970%0.70479%0.786SS**  trans-88.9125.8167.6-73.9-177.2178.8-178.90106.6R6 I10R6-K8 PolarHBondContact O-N 3.48Å; K8-I10 HydrophobicContact CB-CG1 4.33Å; K8-I10 WeakPolarHBondContact O-CG1 3.13Å; K8-I10 PolarHBondContact O-N 3.47Å
9E71.4Confident70.4Confident198 Ų198156.6 Ų156.693%0.92577%0.769SS**  trans-67.388.6168.4-169.4176.6-179.500108.1S11E9-S11 PolarHBondContact O-N 2.98Å
10I71.2Confident71Confident127 Ų127158.6 Ų158.665%0.65177%0.767SS**  trans-81.5111174.2-43.1173.1000105.5K8 L12K8-I10 HydrophobicContact CB-CG1 4.33Å; K8-I10 WeakPolarHBondContact O-CG1 3.13Å; K8-I10 PolarHBondContact O-N 3.47Å; I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 3.15Å
11S69.8Low71.9Confident75 Ų75153.6 Ų153.652%0.52475%0.752SS.*  trans-63.294.3171.5-175.30000109.3E9 T13E9-S11 PolarHBondContact O-N 2.98Å; S11-T13 PolarHBondContact O-N 3.47Å; S11-T13 VanDerWaalsContact O-N 3.15Å; S11-T13 PolarHBondContact OG-OG1 3.22Å
12L69.1Low73.2Confident150 Ų150143.6 Ų143.679%0.78571%0.707SS**THydrogen-bonded Turntrans-67.8-5.4177-64.2176.6000112.5I10I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 3.15Å
13T67.9Low74.1Confident114 Ų114140.6 Ų140.670%0.69968%0.683SS**THydrogen-bonded Turntrans-81.4-15.9-173.950.70000113.5S11 V15S11-T13 PolarHBondContact O-N 3.47Å; S11-T13 VanDerWaalsContact O-N 3.15Å; S11-T13 PolarHBondContact OG-OG1 3.22Å; T13-V15 PolarHBondContact O-N 3.12Å
14Q66.3Low75.3Confident164 Ų164133.8 Ų133.877%0.76666%0.662SS**  trans-78.567.2177.4-66.8-68.8-0.400111.5K16Q14-K16 PolarHBondContact O-N 3.06Å
15V68.2Low76Confident117 Ų117136.6 Ų136.671%0.70967%0.667SS**  trans-80.2115.4169.5-172.30000108T13 K17T13-V15 PolarHBondContact O-N 3.12Å; V15-K17 PolarHBondContact O-N 2.66Å; V15-K17 VanDerWaalsContact O-N 3.11Å
16K70.5Confident77.1Confident197 Ų197128 Ų12886%0.85763%0.632SS**  trans-53.1121.2173.6-70.3-174.3-179.5-178.80109.1Q14 K18Q14-K16 PolarHBondContact O-N 3.06Å; K16-K18 PolarHBondContact O-N 3.48Å; K16-K18 VanDerWaalsContact O-N 3.13Å
17K70.2Confident78.1Confident204 Ų204118 Ų11889%0.88760%0.596SS**  trans-59.4120174.4-67.6-179.9-178.7175.20107.8V15 G19V15-K17 PolarHBondContact O-N 2.66Å; V15-K17 VanDerWaalsContact O-N 3.11Å; K17-G19 PolarHBondContact O-N 3.34Å
18K68.9Low79.2Confident182 Ų182118.4 Ų118.479%0.79159%0.594SS**  trans-54.8-19.2178.1-74.7-172.2176.3-176.90113.7K16 A22K16-K18 PolarHBondContact O-N 3.48Å; K16-K18 VanDerWaalsContact O-N 3.13Å; K18-A22 HydrophobicContact CB-CB 3.66Å; K18-A22 HydrophobicContact CD-CB 4.45Å; K18-A22 WeakPolarHBondContact O-CB 3.4Å; K18-A22 PolarHBondContact O-N 3.33Å
19G76.7Confident80.5Confident44 Ų44116.3 Ų116.345%0.45459%0.585SS.*Hα-helixtrans67.7-164.5163.400000114.6K17K17-G19 PolarHBondContact O-N 3.34Å
20R83.4Confident81.7Confident196 Ų196106.9 Ų106.974%0.7454%0.541SS*.Hα-helixtrans-63.6-39.3179-178.2177.3168.6169.6-1.2112.2A22 N23 E24R20-A22 VanDerWaalsContact C-N 3.33Å; R20-A22 PolarHBondContact O-N 3.28Å; R20-N23 WeakPolarHBondContact O-CB 3.5Å; R20-N23 PolarHBondContact O-N 2.86Å; R20-E24 HydrophobicContact CG-CG 4.39Å; R20-E24 WeakPolarHBondContact CG-OE1 3.35Å; R20-E24 IonicContact CZ-OE1 3.54Å; R20-E24 IonicContact NE-OE1 2.76Å; R20-E24 PolarHBondContact NE-OE1 3.19Å; R20-E24 IonicContact NH2-OE1 3.49Å; R20-E24 PolarHBondContact NH2-OE1 3.02Å; R20-E24 PolarHBondContact O-N 2.99Å
21A88.7Confident82.9Confident53 Ų53105.1 Ų105.144%0.43853%0.526SS..Hα-helixtrans-56.3-41.7-179.600000113.3N23 E24 Q25A21-N23 VanDerWaalsContact C-N 3.32Å; A21-N23 PolarHBondContact O-N 2.85Å; A21-E24 PolarHBondContact O-N 3.47Å; A21-Q25 VanDerWaalsContact O-CG 3.31Å; A21-Q25 WeakPolarHBondContact O-CG 3.17Å; A21-Q25 PolarHBondContact O-N 3.28Å
22A88.3Confident84.2Confident26 Ų26108.1 Ų108.122%0.21553%0.53CS..Hα-helixtrans-69.5-29178.200000113.6K18 R20 L26K18-A22 HydrophobicContact CB-CB 3.66Å; K18-A22 HydrophobicContact CD-CB 4.45Å; K18-A22 WeakPolarHBondContact O-CB 3.4Å; K18-A22 PolarHBondContact O-N 3.33Å; R20-A22 VanDerWaalsContact C-N 3.33Å; R20-A22 PolarHBondContact O-N 3.28Å; A22-L26 PolarHBondContact O-N 3.07Å; A22-L26 VanDerWaalsContact O-N 3.1Å
23N90.6Very high85.5Confident66 Ų66101.4 Ų101.435%0.35350%0.495SS..Hα-helixtrans-73.1-39.2173.7-65.9-35.1000110.8R20 A21 L26 V27 V73R20-N23 WeakPolarHBondContact O-CB 3.5Å; R20-N23 PolarHBondContact O-N 2.86Å; A21-N23 VanDerWaalsContact C-N 3.32Å; A21-N23 PolarHBondContact O-N 2.85Å; N23-L26 WeakPolarHBondContact O-CB 3.33Å; N23-L26 PolarHBondContact O-N 3.32Å; N23-V27 WeakPolarHBondContact O-CG2 3.43Å; N23-V27 PolarHBondContact O-N 3.4Å; N23-V73 HydrophobicContact CB-CG1 4.06Å; N23-V73 HydrophobicContact CB-CG2 4.13Å
24E92.8Very high86.9Confident95 Ų9596.1 Ų96.144%0.44446%0.462SS..Hα-helixtrans-62.9-45174.7-71.4167.7171.600111.1R20 A21 L26 V27 E28R20-E24 HydrophobicContact CG-CG 4.39Å; R20-E24 WeakPolarHBondContact CG-OE1 3.35Å; R20-E24 IonicContact CZ-OE1 3.54Å; R20-E24 IonicContact NE-OE1 2.76Å; R20-E24 PolarHBondContact NE-OE1 3.19Å; R20-E24 IonicContact NH2-OE1 3.49Å; R20-E24 PolarHBondContact NH2-OE1 3.02Å; R20-E24 PolarHBondContact O-N 2.99Å; A21-E24 PolarHBondContact O-N 3.47Å; E24-L26 VanDerWaalsContact C-N 3.29Å; E24-L26 PolarHBondContact O-N 3.24Å; E24-V27 WeakPolarHBondContact O-CB 3.23Å; E24-V27 PolarHBondContact O-N 3.5Å; E24-V27 VanDerWaalsContact O-N 3.1Å; E24-E28 PolarHBondContact O-N 3.3Å
25Q93.7Very high88.3Confident126 Ų12692 Ų9259%0.58945%0.446SS*.Hα-helixtrans-59.2-38.3172.8-73.9173.6-300112.7A21 K29A21-Q25 VanDerWaalsContact O-CG 3.31Å; A21-Q25 WeakPolarHBondContact O-CG 3.17Å; A21-Q25 PolarHBondContact O-N 3.28Å; Q25-K29 VanDerWaalsContact O-CB 3.23Å; Q25-K29 WeakPolarHBondContact O-CB 3.44Å; Q25-K29 PolarHBondContact O-N 2.8Å
26L93.7Very high89.6Confident30 Ų3091 Ų9116%0.15743%0.433CS..Hα-helixtrans-65.6-42175.1177.864.7000111.2A22 N23 E24 K29 V30 V73 I74A22-L26 PolarHBondContact O-N 3.07Å; A22-L26 VanDerWaalsContact O-N 3.1Å; N23-L26 WeakPolarHBondContact O-CB 3.33Å; N23-L26 PolarHBondContact O-N 3.32Å; E24-L26 VanDerWaalsContact C-N 3.29Å; E24-L26 PolarHBondContact O-N 3.24Å; L26-K29 PolarHBondContact O-N 2.62Å; L26-V30 HydrophobicContact CD1-CG2 4.36Å; L26-V30 VanDerWaalsContact O-CG2 3.31Å; L26-V30 WeakPolarHBondContact O-CG2 3.32Å; L26-V30 PolarHBondContact O-N 3.05Å; L26-V73 HydrophobicContact CB-CG1 4.4Å; L26-V73 HydrophobicContact CD2-CB 4.27Å; L26-V73 HydrophobicContact CD2-CG1 3.89Å; L26-V73 HydrophobicContact CG-CG1 4.35Å; L26-I74 HydrophobicContact CD2-CG1 4.45Å
27V95.4Very high90.9Very high22 Ų2281.9 Ų81.913%0.13339%0.393CS..Hα-helixtrans-61.1-48.4176.7169.10000110.6N23 E24 K29 V30 R31 V73 A77N23-V27 WeakPolarHBondContact O-CG2 3.43Å; N23-V27 PolarHBondContact O-N 3.4Å; E24-V27 WeakPolarHBondContact O-CB 3.23Å; E24-V27 PolarHBondContact O-N 3.5Å; E24-V27 VanDerWaalsContact O-N 3.1Å; V27-K29 VanDerWaalsContact C-N 3.35Å; V27-K29 PolarHBondContact O-N 3.27Å; V27-V30 PolarHBondContact O-N 3.27Å; V27-R31 WeakPolarHBondContact O-CG 3.26Å; V27-R31 PolarHBondContact O-N 3.26Å; V27-V73 HydrophobicContact CG2-CG1 3.68Å; V27-A77 HydrophobicContact CB-CB 4.2Å; V27-A77 HydrophobicContact CG1-CB 4.01Å; V27-A77 HydrophobicContact CG2-CB 4.1Å
28E96.4Very high92Very high138 Ų13876.4 Ų76.465%0.64537%0.371SS*.Hα-helixtrans-60.4-44.6177.3-174178.8-170.100111.4E24 V30 R31 K32E24-E28 PolarHBondContact O-N 3.3Å; E28-V30 VanDerWaalsContact C-N 3.35Å; E28-V30 PolarHBondContact O-N 3.12Å; E28-R31 PolarHBondContact O-N 3.15Å; E28-K32 WeakPolarHBondContact O-CB 3.13Å; E28-K32 PolarHBondContact O-N 3.45Å
29K96.7Very high93.3Very high119 Ų11968.7 Ų68.752%0.51734%0.338SS..Hα-helixtrans-61.8-41.4177.4-169.1178.2-170.8-177.30112.4Q25 L26 V27 C33 L67Q25-K29 VanDerWaalsContact O-CB 3.23Å; Q25-K29 WeakPolarHBondContact O-CB 3.44Å; Q25-K29 PolarHBondContact O-N 2.8Å; L26-K29 PolarHBondContact O-N 2.62Å; V27-K29 VanDerWaalsContact C-N 3.35Å; V27-K29 PolarHBondContact O-N 3.27Å; K29-C33 PolarHBondContact O-N 2.84Å; K29-C33 VanDerWaalsContact O-N 3.08Å; K29-C33 PolarHBondContact O-SG 3.03Å; K29-L67 HydrophobicContact CD-CD1 4.39Å; K29-L67 HydrophobicContact CD-CD2 3.83Å; K29-L67 HydrophobicContact CG-CD1 4.09Å; K29-L67 HydrophobicContact CG-CD2 4.35Å
30V97.3Very high94.3Very high0 Ų066.6 Ų66.60%032%0.316CS..Hα-helixtrans-62.8-47.6175.91670000110.2L26 V27 E28 C33 I34 L67 A77 L78 L103 F105L26-V30 HydrophobicContact CD1-CG2 4.36Å; L26-V30 VanDerWaalsContact O-CG2 3.31Å; L26-V30 WeakPolarHBondContact O-CG2 3.32Å; L26-V30 PolarHBondContact O-N 3.05Å; V27-V30 PolarHBondContact O-N 3.27Å; E28-V30 VanDerWaalsContact C-N 3.35Å; E28-V30 PolarHBondContact O-N 3.12Å; V30-C33 PolarHBondContact O-N 2.7Å; V30-I34 HydrophobicContact CG1-CD1 3.78Å; V30-I34 HydrophobicContact CG1-CG1 4.46Å; V30-I34 VanDerWaalsContact O-CG1 3.29Å; V30-I34 WeakPolarHBondContact O-CG1 3.41Å; V30-I34 PolarHBondContact O-N 2.79Å; V30-L67 HydrophobicContact CB-CD1 4.48Å; V30-L67 HydrophobicContact CG2-CD1 3.74Å; V30-A77 HydrophobicContact CB-CB 3.77Å; V30-A77 HydrophobicContact CG1-CB 3.6Å; V30-A77 HydrophobicContact CG2-CB 4.34Å; V30-L78 HydrophobicContact CG1-CD2 4.13Å; V30-L103 HydrophobicContact CG1-CD1 4.3Å; V30-F105 HydrophobicContact CG1-CZ 4.14Å
31R96.7Very high94.9Very high89 Ų8957.3 Ų57.334%0.33628%0.281SS..Hα-helixtrans-61.3-46.5178.7-72.2176.8178.5178-2.2112.4V27 E28 C33 I34 D35 A77 Y86V27-R31 WeakPolarHBondContact O-CG 3.26Å; V27-R31 PolarHBondContact O-N 3.26Å; E28-R31 PolarHBondContact O-N 3.15Å; R31-C33 VanDerWaalsContact C-N 3.28Å; R31-C33 PolarHBondContact O-N 3.04Å; R31-I34 WeakPolarHBondContact O-CA 3.3Å; R31-I34 WeakPolarHBondContact O-CB 3.19Å; R31-I34 PolarHBondContact O-N 2.86Å; R31-D35 PolarHBondContact O-N 2.71Å; R31-A77 PolarHBondContact NE-O 2.93Å; R31-Y86 HydrophobicContact CB-CE1 4Å; R31-Y86 HydrophobicContact CB-CE2 4.21Å; R31-Y86 HydrophobicContact CG-CD1 4.14Å; R31-Y86 HydrophobicContact CG-CD2 3.96Å; R31-Y86 HydrophobicContact CG-CE1 4.09Å; R31-Y86 HydrophobicContact CG-CE2 3.91Å; R31-Y86 HydrophobicContact CG-CG 4.07Å
32K97.1Very high95.3Very high139 Ų13954.8 Ų54.860%0.60426%0.26SS*.Hα-helixtrans-54.6-43.7173.7-173.4178.4180176.90112.2E28 D35 E36E28-K32 WeakPolarHBondContact O-CB 3.13Å; E28-K32 PolarHBondContact O-N 3.45Å; K32-D35 PolarHBondContact O-N 3.01Å; K32-E36 WeakPolarHBondContact O-CB 3.43Å; K32-E36 PolarHBondContact O-N 3.25Å
33C96.9Very high95.6Very high9 Ų953.6 Ų53.66%0.06125%0.25CS..Hα-helixtrans-70.4-29.8176.5-67.50000113.3K29 V30 R31 D35 Y37 F105K29-C33 PolarHBondContact O-N 2.84Å; K29-C33 VanDerWaalsContact O-N 3.08Å; K29-C33 PolarHBondContact O-SG 3.03Å; V30-C33 PolarHBondContact O-N 2.7Å; R31-C33 VanDerWaalsContact C-N 3.28Å; R31-C33 PolarHBondContact O-N 3.04Å; C33-D35 VanDerWaalsContact C-N 3.27Å; C33-Y37 HydrophobicContact CB-CD2 4.18Å; C33-Y37 HydrophobicContact CB-CE2 4.49Å; C33-Y37 WeakPolarHBondContact O-CB 3.2Å; C33-Y37 VanDerWaalsContact O-CD2 3.3Å; C33-Y37 WeakPolarHBondContact O-CD2 3.3Å; C33-Y37 PolarHBondContact O-N 2.91Å; C33-Y37 VanDerWaalsContact O-N 3.14Å; C33-F105 HydrophobicContact CB-CB 4.1Å; C33-F105 HydrophobicContact CB-CD1 3.54Å; C33-F105 HydrophobicContact CB-CD2 3.76Å; C33-F105 HydrophobicContact CB-CE1 3.87Å; C33-F105 HydrophobicContact CB-CE2 4.07Å; C33-F105 HydrophobicContact CB-CG 3.5Å; C33-F105 HydrophobicContact CB-CZ 4.12Å
34I96.3Very high95.8Very high2 Ų252.2 Ų52.21%0.0124%0.244CC..Hα-helixtrans-65.7-36.9172.7-65.1158.2000110.3V30 R31 V40 L78 Y86 L90 F105 W227V30-I34 HydrophobicContact CG1-CD1 3.78Å; V30-I34 HydrophobicContact CG1-CG1 4.46Å; V30-I34 VanDerWaalsContact O-CG1 3.29Å; V30-I34 WeakPolarHBondContact O-CG1 3.41Å; V30-I34 PolarHBondContact O-N 2.79Å; R31-I34 WeakPolarHBondContact O-CA 3.3Å; R31-I34 WeakPolarHBondContact O-CB 3.19Å; R31-I34 PolarHBondContact O-N 2.86Å; I34-V40 HydrophobicContact CG1-CG2 4.12Å; I34-L78 HydrophobicContact CD1-CD2 3.84Å; I34-Y86 HydrophobicContact CB-CD1 4.26Å; I34-Y86 HydrophobicContact CB-CE1 4.24Å; I34-Y86 HydrophobicContact CD1-CD1 4Å; I34-Y86 HydrophobicContact CG2-CD1 3.97Å; I34-Y86 HydrophobicContact CG2-CE1 4.15Å; I34-L90 HydrophobicContact CD1-CD2 3.69Å; I34-L90 HydrophobicContact CG1-CD2 4.46Å; I34-L90 HydrophobicContact CG2-CD2 4.48Å; I34-F105 HydrophobicContact CG1-CD1 4.42Å; I34-F105 HydrophobicContact CG1-CE1 3.75Å; I34-W227 HydrophobicContact CG2-CH2 4.07Å; I34-W227 HydrophobicContact CG2-CZ3 4.17Å
35D95.6Very high95.8Very high78 Ų7848.3 Ų48.342%0.41723%0.228SC..Hα-helixtrans-73.5-37178.9-61.2-32.9000112R31 K32 C33 Y86 K229R31-D35 PolarHBondContact O-N 2.71Å; K32-D35 PolarHBondContact O-N 3.01Å; C33-D35 VanDerWaalsContact C-N 3.27Å; D35-Y86 VanDerWaalsContact OD1-CE1 3.31Å; D35-Y86 WeakPolarHBondContact OD1-CE1 3.46Å; D35-Y86 PolarHBondContact OD1-OH 3.33Å; D35-Y86 PolarHBondContact OD2-OH 3.23Å; D35-K229 PolarHBondContact O-NZ 3.01Å
36E96Very high95.7Very high96 Ų9645.7 Ų45.745%0.44922%0.218SC..Hα-helixtrans-79.2-29.6-175.7-173.217916700114.4K32K32-E36 WeakPolarHBondContact O-CB 3.43Å; K32-E36 PolarHBondContact O-N 3.25Å
37Y96.8Very high95.6Very high5 Ų546.6 Ų46.62%0.0222%0.223CC..  trans-115.3144.5-172.3-65.5-84.5000112.6C33 Q39 D63 R65 F105 Q107C33-Y37 HydrophobicContact CB-CD2 4.18Å; C33-Y37 HydrophobicContact CB-CE2 4.49Å; C33-Y37 WeakPolarHBondContact O-CB 3.2Å; C33-Y37 VanDerWaalsContact O-CD2 3.3Å; C33-Y37 WeakPolarHBondContact O-CD2 3.3Å; C33-Y37 PolarHBondContact O-N 2.91Å; C33-Y37 VanDerWaalsContact O-N 3.14Å; Y37-Q39 PolarHBondContact O-N 3.49Å; Y37-D63 VanDerWaalsContact CE1-O 3.23Å; Y37-D63 WeakPolarHBondContact CE1-O 3.46Å; Y37-R65 HydrophobicContact CE2-CB 4.29Å; Y37-R65 HydrophobicContact CE2-CG 3.76Å; Y37-R65 WeakPolarHBondContact OH-CG 3.31Å; Y37-F105 HydrophobicContact CD2-CB 3.54Å; Y37-F105 HydrophobicContact CE2-CB 4.25Å; Y37-F105 HydrophobicContact CG-CB 3.71Å; Y37-Q107 HydrophobicContact CD1-CG 3.89Å; Y37-Q107 HydrophobicContact CE1-CG 4.44Å
38E95.1Very high95.3Very high89 Ų8948.4 Ų48.442%0.41623%0.231SC..SBendtrans-74.4-24.6-177.5-72.4-56.7136.500113.8T106 K229E38-T106 PolarHBondContact N-O 3.38Å; E38-K229 VanDerWaalsContact O-CB 3.3Å; E38-K229 WeakPolarHBondContact O-CB 3.27Å; E38-K229 PolarHBondContact O-N 2.92Å
39Q95.6Very high95Very high21 Ų2144.7 Ų44.710%0.09821%0.211CC..EExtended strand (participates in β ladder)trans-130.3140.6-177.3-60.1-173.1-7.200112.3Y37 F105 T106 R108 W227Y37-Q39 PolarHBondContact O-N 3.49Å; Q39-F105 WeakPolarHBondContact O-CA 3.38Å; Q39-T106 HydrophobicContact CB-CG2 3.9Å; Q39-T106 PolarHBondContact N-O 3.4Å; Q39-T106 PolarHBondContact O-N 2.76Å; Q39-R108 PolarHBondContact OE1-O 2.84Å; Q39-W227 WeakPolarHBondContact CA-O 3.36Å
40V97.4Very high94.7Very high0 Ų044.1 Ų44.10%022%0.217CC..EExtended strand (participates in β ladder)trans-120.4123173.1-175.80000108.8I34 L93 L103 F105 W227I34-V40 HydrophobicContact CG1-CG2 4.12Å; V40-L93 HydrophobicContact CB-CD2 4.28Å; V40-L93 HydrophobicContact CG1-CD2 3.81Å; V40-L103 HydrophobicContact CG1-CD2 4.31Å; V40-F105 HydrophobicContact CB-CD1 4.49Å; V40-F105 HydrophobicContact CG1-CD1 4.22Å; V40-F105 HydrophobicContact CG1-CE1 3.85Å; V40-F105 HydrophobicContact CG1-CZ 4.5Å; V40-F105 HydrophobicContact CG2-CD1 3.8Å; V40-F105 HydrophobicContact CG2-CE1 3.93Å; V40-W227 HydrophobicContact CB-CB 4.38Å; V40-W227 HydrophobicContact CB-CE3 3.8Å; V40-W227 HydrophobicContact CG2-CE3 3.49Å; V40-W227 VanDerWaalsContact CG2-CE3 3.49Å; V40-W227 HydrophobicContact CG2-CZ3 3.72Å; V40-W227 PolarHBondContact N-O 3.39Å; V40-W227 PolarHBondContact O-N 3.28Å
41I96.4Very high94.4Very high0 Ų047.2 Ų47.20%024%0.239CC..EExtended strand (participates in β ladder)trans-119.6122.9-173.2-58176.4000108.6L103 M104 T106 I113 L223 L225 L226I41-L103 CarbonylContact O-C 3.26Å; I41-L103 WeakPolarHBondContact O-CA 3.17Å; I41-M104 HydrophobicContact CB-CB 4.16Å; I41-M104 HydrophobicContact CD1-SD 4.43Å; I41-M104 PolarHBondContact N-O 2.68Å; I41-M104 PolarHBondContact O-N 3.33Å; I41-T106 HydrophobicContact CD1-CG2 3.84Å; I41-I113 HydrophobicContact CD1-CB 3.96Å; I41-I113 HydrophobicContact CD1-CG1 3.96Å; I41-I113 HydrophobicContact CD1-CG2 3.38Å; I41-L223 HydrophobicContact CG2-CD1 3.91Å; I41-L223 HydrophobicContact CG2-CD2 4.45Å; I41-L223 HydrophobicContact CG2-CG 3.75Å; I41-L225 WeakPolarHBondContact CA-O 3.36Å; I41-L226 HydrophobicContact CD1-CD1 4.09Å; I41-L226 HydrophobicContact CD1-CG 4.48Å; I41-L226 HydrophobicContact CG1-CB 4.45Å; I41-L226 HydrophobicContact CG1-CD1 4.19Å; I41-L226 HydrophobicContact CG1-CG 4.04Å
42L96.7Very high94.1Very high1 Ų143.2 Ų43.21%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-91.4124.2169.5-179.866.8000108.6L93 I97 C101 L103 L224 L225L42-L93 HydrophobicContact CB-CD2 4.47Å; L42-L93 HydrophobicContact CB-CG 4.35Å; L42-I97 HydrophobicContact CD1-CG1 3.85Å; L42-I97 HydrophobicContact CD2-CG1 4.17Å; L42-C101 HydrophobicContact CD1-CB 4.02Å; L42-L103 HydrophobicContact CB-CD2 4.29Å; L42-L103 HydrophobicContact CD1-CD2 3.84Å; L42-L224 HydrophobicContact CD2-CB 4.46Å; L42-L224 HydrophobicContact CD2-CD1 4.31Å; L42-L224 HydrophobicContact CG-CB 4.36Å; L42-L224 HydrophobicContact CG-CD1 4.22Å; L42-L224 WeakPolarHBondContact O-CA 3.39Å; L42-L224 WeakPolarHBondContact O-CB 3.25Å; L42-L224 PolarHBondContact O-N 3.06Å; L42-L225 HydrophobicContact CB-CB 4.22Å; L42-L225 HydrophobicContact CD2-CD1 4.2Å; L42-L225 PolarHBondContact N-O 3.29Å; L42-L225 PolarHBondContact O-N 2.85Å
43F95.5Very high93.9Very high1 Ų136.7 Ų36.70%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-135.9160.8178.471.9-87.3000112.2M53 F66 F68 C101 G102 M104 F117 L221 H222F43-M53 HydrophobicContact CE2-CE 4.12Å; F43-F66 AromaticContact CE1-CD1 3.69Å; F43-F66 HydrophobicContact CE1-CD1 3.69Å; F43-F66 HydrophobicContact CE1-CE1 4.03Å; F43-F66 AromaticContact CZ-CD1 3.66Å; F43-F66 HydrophobicContact CZ-CD1 3.66Å; F43-F66 HydrophobicContact CZ-CE1 4.09Å; F43-F68 HydrophobicContact CE2-CE1 4.2Å; F43-F68 AromaticContact CE2-CZ 3.91Å; F43-F68 HydrophobicContact CE2-CZ 3.91Å; F43-F68 HydrophobicContact CZ-CE1 4.04Å; F43-F68 HydrophobicContact CZ-CE2 4.3Å; F43-F68 AromaticContact CZ-CZ 3.53Å; F43-F68 HydrophobicContact CZ-CZ 3.53Å; F43-C101 CarbonylContact O-C 3.57Å; F43-C101 VanDerWaalsContact O-CA 3.24Å; F43-C101 WeakPolarHBondContact O-CA 3.36Å; F43-C101 WeakPolarHBondContact O-CB 3.22Å; F43-G102 VanDerWaalsContact CD1-O 3.27Å; F43-G102 WeakPolarHBondContact CD1-O 3.09Å; F43-G102 VanDerWaalsContact CE1-C 3.48Å; F43-G102 PolarHBondContact N-O 2.84Å; F43-G102 PolarHBondContact O-N 3.44Å; F43-M104 HydrophobicContact CD1-CB 4.09Å; F43-M104 HydrophobicContact CE1-CB 3.91Å; F43-F117 HydrophobicContact CB-CD1 4.36Å; F43-F117 HydrophobicContact CB-CE1 3.57Å; F43-F117 HydrophobicContact CB-CZ 4.45Å; F43-F117 HydrophobicContact CD1-CE1 4.28Å; F43-F117 HydrophobicContact CD1-CZ 4.4Å; F43-F117 HydrophobicContact CD2-CE1 4.16Å; F43-F117 AromaticContact CG-CE1 3.76Å; F43-F117 HydrophobicContact CG-CE1 3.76Å; F43-F117 HydrophobicContact CG-CZ 4.3Å; F43-L221 HydrophobicContact CD2-CD2 4.06Å; F43-L221 HydrophobicContact CE2-CD2 4Å; F43-H222 CarbonylContact C-O 3.57Å; F43-H222 VanDerWaalsContact CA-O 3.24Å; F43-H222 WeakPolarHBondContact CA-O 3.47Å; F43-H222 VanDerWaalsContact CB-O 3.31Å; F43-H222 WeakPolarHBondContact CB-O 3.48Å
44T94.5Very high93.8Very high37 Ų3740 Ų4023%0.22721%0.214CC..EExtended strand (participates in β ladder)trans-121.2162.4168.2-177.40000109.1Q100 H222 L224T44-Q100 PolarHBondContact OG1-O 2.89Å; T44-H222 HydrophobicContact CG2-CB 3.71Å; T44-H222 PolarHBondContact N-O 2.97Å; T44-H222 PolarHBondContact O-N 3.07Å; T44-L224 HydrophobicContact CG2-CD1 4.25Å; T44-L224 HydrophobicContact CG2-CD2 4.01Å; T44-L224 HydrophobicContact CG2-CG 4.26Å
45A92.4Very high93.7Very high12 Ų1243.7 Ų43.710%0.09923%0.231CC..EExtended strand (participates in β ladder)trans-134.5134.4179.100000111.1M48 M53 F219 K220 L221A45-M48 HydrophobicContact CB-CB 4.17Å; A45-M48 HydrophobicContact CB-CG 4.45Å; A45-M48 HydrophobicContact CB-SD 4.4Å; A45-M53 HydrophobicContact CB-CE 4.39Å; A45-F219 HydrophobicContact CB-CE2 4.01Å; A45-K220 CarbonylContact C-O 3.27Å; A45-K220 VanDerWaalsContact CA-O 3.31Å; A45-K220 WeakPolarHBondContact CA-O 3.44Å; A45-L221 HydrophobicContact CB-CD2 3.83Å
46D92Very high93.7Very high72 Ų7240 Ų4039%0.38521%0.211SC..EExtended strand (participates in β ladder)trans-84.3142.4169.1-70.1-25.4000109.8M48 F219 K220 H222D46-M48 PolarHBondContact O-N 3.42Å; D46-M48 VanDerWaalsContact O-N 3.14Å; D46-F219 WeakPolarHBondContact O-CA 3.43Å; D46-F219 VanDerWaalsContact O-CD2 3.28Å; D46-F219 WeakPolarHBondContact O-CD2 3.4Å; D46-K220 PolarHBondContact N-O 3.13Å; D46-K220 PolarHBondContact O-N 3.33Å; D46-H222 IonicContact OD1-NE2 3.13Å; D46-H222 IonicContact OD2-CD2 3.66Å; D46-H222 IonicContact OD2-CE1 3.67Å; D46-H222 IonicContact OD2-NE2 2.72Å; D46-H222 PolarHBondContact OD2-NE2 2.59Å
47N90.9Very high93.7Very high48 Ų4839.4 Ų39.426%0.25721%0.205SC..THydrogen-bonded Turntrans51.538.5175.2-56.8-59.4000113.9R49 A217 T218N47-R49 PolarHBondContact O-N 2.9Å; N47-A217 HydrophobicContact CB-CB 4.39Å; N47-T218 PolarHBondContact ND2-O 3.23Å
48M89.6Confident93.6Very high61 Ų6141.2 Ų41.230%0.322%0.221SC..  trans-57.2124.5-176.8-171.3172.268.800112.3A45 D46 M53 F68 R127 F219A45-M48 HydrophobicContact CB-CB 4.17Å; A45-M48 HydrophobicContact CB-CG 4.45Å; A45-M48 HydrophobicContact CB-SD 4.4Å; D46-M48 PolarHBondContact O-N 3.42Å; D46-M48 VanDerWaalsContact O-N 3.14Å; M48-M53 HydrophobicContact CG-CE 3.99Å; M48-M53 HydrophobicContact SD-CE 3.68Å; M48-F68 HydrophobicContact CE-CE1 4.42Å; M48-F68 HydrophobicContact SD-CE1 3.78Å; M48-F68 HydrophobicContact SD-CZ 4.13Å; M48-R127 PolarHBondContact O-NH2 3.13Å; M48-R127 VanDerWaalsContact O-NH2 3.08Å; M48-F219 HydrophobicContact CB-CE2 4.33Å; M48-F219 HydrophobicContact CG-CE2 4.31Å
49R89.2Confident93.6Very high60 Ų6040.9 Ų40.923%0.22622%0.219CC..  trans-126.5149.3168-71.3-168.8-173.5-157.83.5109.9N47 S51 C52 M53 E124 Y125 R127N47-R49 PolarHBondContact O-N 2.9Å; R49-S51 PolarHBondContact O-N 3.48Å; R49-C52 PolarHBondContact O-N 2.79Å; R49-M53 PolarHBondContact O-N 2.79Å; R49-E124 VanDerWaalsContact CD-CD 3.48Å; R49-E124 VanDerWaalsContact CD-OE1 3.32Å; R49-E124 WeakPolarHBondContact CD-OE1 3.14Å; R49-E124 HydrophobicContact CG-CG 4.45Å; R49-E124 IonicContact CZ-OE1 2.79Å; R49-E124 IonicContact NE-OE1 3.14Å; R49-E124 PolarHBondContact NE-OE1 2.88Å; R49-E124 IonicContact NH1-OE1 3.3Å; R49-E124 PolarHBondContact NH1-OE1 3.44Å; R49-E124 IonicContact NH2-OE1 3.66Å; R49-E124 PolarHBondContact NH2-OE1 2.99Å; R49-Y125 PolarHBondContact NH2-O 2.85Å; R49-R127 VanDerWaalsContact CG-NH2 3.27Å
50T90.6Very high93.7Very high106 Ų10640 Ų4065%0.6522%0.215SC*.Hα-helixtrans-58.4-38.1179.3-51.40000111.7M53 N54T50-M53 PolarHBondContact O-N 3.3Å; T50-N54 VanDerWaalsContact O-CB 3.29Å; T50-N54 WeakPolarHBondContact O-CB 3.34Å; T50-N54 PolarHBondContact O-N 3.21Å; T50-N54 PolarHBondContact O-ND2 3.25Å; T50-N54 PolarHBondContact O-OD1 3.28Å
51S90.4Very high93.6Very high66 Ų6647.2 Ų47.246%0.46224%0.242SC..Hα-helixtrans-58.2-56.1176.447.80000112.2R49 M53 N54 E55R49-S51 PolarHBondContact O-N 3.48Å; S51-M53 VanDerWaalsContact C-N 3.34Å; S51-M53 PolarHBondContact O-N 3.29Å; S51-N54 PolarHBondContact O-N 3.31Å; S51-N54 VanDerWaalsContact O-N 3.12Å; S51-E55 PolarHBondContact O-N 2.85Å; S51-E55 VanDerWaalsContact O-N 3.14Å
52C91.1Very high93.4Very high4 Ų454.1 Ų54.13%0.02728%0.279CS..Hα-helixtrans-61.5-42.2179.7-52.60000111.8R49 N54 E55 V56 F219R49-C52 PolarHBondContact O-N 2.79Å; C52-N54 VanDerWaalsContact C-N 3.29Å; C52-N54 PolarHBondContact O-N 3Å; C52-E55 WeakPolarHBondContact O-CB 3.35Å; C52-E55 PolarHBondContact O-N 3.42Å; C52-V56 WeakPolarHBondContact O-CG2 3.28Å; C52-V56 PolarHBondContact O-N 2.95Å; C52-F219 HydrophobicContact CB-CB 4.27Å; C52-F219 HydrophobicContact CB-CD1 3.59Å; C52-F219 HydrophobicContact CB-CD2 3.97Å; C52-F219 HydrophobicContact CB-CE1 3.82Å; C52-F219 HydrophobicContact CB-CE2 4.18Å; C52-F219 HydrophobicContact CB-CG 3.65Å; C52-F219 HydrophobicContact CB-CZ 4.1Å
53M93.4Very high93.3Very high2 Ų255.5 Ų55.51%0.0129%0.286CS..Hα-helixtrans-67.6-30.9178-168.961.665.700112.2F43 A45 M48 R49 T50 S51 V56 R57 F68 F219 L221F43-M53 HydrophobicContact CE2-CE 4.12Å; A45-M53 HydrophobicContact CB-CE 4.39Å; M48-M53 HydrophobicContact CG-CE 3.99Å; M48-M53 HydrophobicContact SD-CE 3.68Å; R49-M53 PolarHBondContact O-N 2.79Å; T50-M53 PolarHBondContact O-N 3.3Å; S51-M53 VanDerWaalsContact C-N 3.34Å; S51-M53 PolarHBondContact O-N 3.29Å; M53-V56 PolarHBondContact O-N 2.96Å; M53-V56 HydrophobicContact SD-CB 4.49Å; M53-R57 VanDerWaalsContact CG-CZ 3.41Å; M53-R57 WeakPolarHBondContact O-CB 3.45Å; M53-R57 VanDerWaalsContact O-CG 3.27Å; M53-R57 WeakPolarHBondContact O-CG 3.48Å; M53-R57 PolarHBondContact O-N 2.98Å; M53-F68 HydrophobicContact CE-CE1 4.37Å; M53-F68 HydrophobicContact CE-CE2 4.41Å; M53-F68 HydrophobicContact CE-CZ 3.59Å; M53-F68 HydrophobicContact CG-CE2 4.18Å; M53-F68 HydrophobicContact CG-CZ 4.27Å; M53-F68 HydrophobicContact SD-CE2 4.15Å; M53-F68 HydrophobicContact SD-CZ 3.86Å; M53-F219 HydrophobicContact CE-CE2 4.24Å; M53-F219 HydrophobicContact CE-CZ 3.96Å; M53-L221 HydrophobicContact CE-CD2 4.01Å
54N94.7Very high93.4Very high80 Ų8055.6 Ų55.643%0.42829%0.287SS..Hα-helixtrans-70.1-33.9175.5-74.9-8.6000112.2T50 S51 C52 R57 A58T50-N54 VanDerWaalsContact O-CB 3.29Å; T50-N54 WeakPolarHBondContact O-CB 3.34Å; T50-N54 PolarHBondContact O-N 3.21Å; T50-N54 PolarHBondContact O-ND2 3.25Å; T50-N54 PolarHBondContact O-OD1 3.28Å; S51-N54 PolarHBondContact O-N 3.31Å; S51-N54 VanDerWaalsContact O-N 3.12Å; C52-N54 VanDerWaalsContact C-N 3.29Å; C52-N54 PolarHBondContact O-N 3Å; N54-R57 PolarHBondContact O-N 3.21Å; N54-R57 PolarHBondContact OD1-NH1 2.77Å; N54-A58 VanDerWaalsContact O-CB 3.28Å; N54-A58 WeakPolarHBondContact O-CB 3.3Å; N54-A58 PolarHBondContact O-N 3.28Å
55E93.8Very high93.5Very high78 Ų7859 Ų5936%0.36430%0.296SS..Hα-helixtrans-61.4-47.3170.1-69.2176.7-142.800111.1S51 C52 R57 A58 H59 Y120 R122S51-E55 PolarHBondContact O-N 2.85Å; S51-E55 VanDerWaalsContact O-N 3.14Å; C52-E55 WeakPolarHBondContact O-CB 3.35Å; C52-E55 PolarHBondContact O-N 3.42Å; E55-R57 PolarHBondContact O-N 2.87Å; E55-A58 WeakPolarHBondContact O-CB 3.34Å; E55-A58 PolarHBondContact O-N 3Å; E55-A58 VanDerWaalsContact O-N 3.17Å; E55-H59 PolarHBondContact O-N 2.93Å; E55-Y120 PolarHBondContact OE2-OH 3.22Å; E55-Y120 VanDerWaalsContact OE2-OH 3.13Å; E55-R122 IonicContact OE2-CZ 2.78Å; E55-R122 VanDerWaalsContact OE2-CZ 3.3Å; E55-R122 IonicContact OE2-NE 3.86Å; E55-R122 PolarHBondContact OE2-NE 2.96Å; E55-R122 IonicContact OE2-NH2 3.88Å; E55-R122 PolarHBondContact OE2-NH2 3.17Å
56V95.7Very high93.7Very high0 Ų059.5 Ų59.50%030%0.296CS..Hα-helixtrans-60.4-46.6176.6176.20000110.7C52 M53 A58 H59 F60 F66 Y116 Y120 F219 L221C52-V56 WeakPolarHBondContact O-CG2 3.28Å; C52-V56 PolarHBondContact O-N 2.95Å; M53-V56 PolarHBondContact O-N 2.96Å; M53-V56 HydrophobicContact SD-CB 4.49Å; V56-A58 VanDerWaalsContact C-N 3.27Å; V56-A58 PolarHBondContact O-N 3.13Å; V56-H59 WeakPolarHBondContact O-CB 3.42Å; V56-H59 PolarHBondContact O-N 2.87Å; V56-F60 HydrophobicContact CG1-CD2 4.03Å; V56-F60 HydrophobicContact CG1-CE2 4.08Å; V56-F60 VanDerWaalsContact O-CD2 3.3Å; V56-F60 WeakPolarHBondContact O-CD2 3.44Å; V56-F60 PolarHBondContact O-N 2.91Å; V56-F66 HydrophobicContact CG1-CE1 4.12Å; V56-F66 HydrophobicContact CG1-CE2 4.31Å; V56-F66 HydrophobicContact CG1-CZ 3.7Å; V56-Y116 HydrophobicContact CG1-CE1 4.32Å; V56-Y120 HydrophobicContact CG2-CD1 3.99Å; V56-Y120 HydrophobicContact CG2-CE1 3.46Å; V56-Y120 VanDerWaalsContact CG2-CE1 3.46Å; V56-F219 HydrophobicContact CG2-CE1 4.06Å; V56-L221 HydrophobicContact CG1-CD1 3.89Å; V56-L221 HydrophobicContact CG2-CD1 3.99Å
57R95.6Very high93.9Very high84 Ų8456.7 Ų56.732%0.31728%0.281SS..Hα-helixtrans-61.6-35.3176.1-73.9177.3-173123.80.7112.6M53 N54 E55 F60 R61 F66 F68M53-R57 VanDerWaalsContact CG-CZ 3.41Å; M53-R57 WeakPolarHBondContact O-CB 3.45Å; M53-R57 VanDerWaalsContact O-CG 3.27Å; M53-R57 WeakPolarHBondContact O-CG 3.48Å; M53-R57 PolarHBondContact O-N 2.98Å; N54-R57 PolarHBondContact O-N 3.21Å; N54-R57 PolarHBondContact OD1-NH1 2.77Å; E55-R57 PolarHBondContact O-N 2.87Å; R57-F60 CarbonylContact O-C 3.56Å; R57-R61 WeakPolarHBondContact O-CA 3.37Å; R57-R61 PolarHBondContact O-N 3.14Å; R57-R61 VanDerWaalsContact O-N 3.17Å; R57-F66 HydrophobicContact CG-CB 4.26Å; R57-F66 HydrophobicContact CG-CD2 3.74Å; R57-F66 HydrophobicContact CG-CE2 4.4Å; R57-F66 HydrophobicContact CG-CG 4.16Å; R57-F68 VanDerWaalsContact NH2-CD2 3.35Å
58A96.1Very high94Very high44 Ų4457.3 Ų57.336%0.36428%0.281SS..Hα-helixtrans-68.6-39.117700000111.5N54 E55 V56 F60 R61N54-A58 VanDerWaalsContact O-CB 3.28Å; N54-A58 WeakPolarHBondContact O-CB 3.3Å; N54-A58 PolarHBondContact O-N 3.28Å; E55-A58 WeakPolarHBondContact O-CB 3.34Å; E55-A58 PolarHBondContact O-N 3Å; E55-A58 VanDerWaalsContact O-N 3.17Å; V56-A58 VanDerWaalsContact C-N 3.27Å; V56-A58 PolarHBondContact O-N 3.13Å; A58-F60 VanDerWaalsContact C-N 3.29Å; A58-F60 PolarHBondContact O-N 3.02Å; A58-R61 WeakPolarHBondContact O-CB 3.38Å; A58-R61 PolarHBondContact O-N 3.5Å
59H95.2Very high94.1Very high82 Ų8255.9 Ų55.938%0.3828%0.283SS..Hα-helixtrans-62.7-33.4176.9174.6-95.6000113.4E55 V56 R108 Y116E55-H59 PolarHBondContact O-N 2.93Å; V56-H59 WeakPolarHBondContact O-CB 3.42Å; V56-H59 PolarHBondContact O-N 2.87Å; H59-R108 PolarHBondContact CE1-NH1 2.86Å; H59-R108 PolarHBondContact O-NH2 3.19Å; H59-Y116 AromaticContact CD2-CE2 3.87Å; H59-Y116 AromaticContact CE1-CD2 3.36Å; H59-Y116 WeakPolarHBondContact CE1-CD2 3.18Å; H59-Y116 AromaticContact CE1-CE2 3.18Å; H59-Y116 WeakPolarHBondContact CE1-CE2 3.32Å; H59-Y116 AromaticContact CE1-CZ 3.98Å; H59-Y116 AromaticContact CG-CE2 3.7Å; H59-Y116 AromaticContact CG-CZ 3.96Å; H59-Y116 AromaticContact ND1-CD2 3.83Å; H59-Y116 AromaticContact ND1-CE2 3.29Å; H59-Y116 VanDerWaalsContact ND1-CE2 3.29Å; H59-Y116 WeakPolarHBondContact ND1-CE2 3.47Å; H59-Y116 AromaticContact ND1-CZ 3.61Å; H59-Y116 AromaticContact NE2-CD2 3.92Å; H59-Y116 AromaticContact NE2-CE2 3.56Å
60F96.3Very high94.2Very high1 Ų161.5 Ų61.50%0.00430%0.304CS..THydrogen-bonded Turntrans-109.928.7179.6-61.2-75.9000112.9V56 R57 A58 D62 D63 S64 F66 M104 R108 I113 Y116V56-F60 HydrophobicContact CG1-CD2 4.03Å; V56-F60 HydrophobicContact CG1-CE2 4.08Å; V56-F60 VanDerWaalsContact O-CD2 3.3Å; V56-F60 WeakPolarHBondContact O-CD2 3.44Å; V56-F60 PolarHBondContact O-N 2.91Å; R57-F60 CarbonylContact O-C 3.56Å; A58-F60 VanDerWaalsContact C-N 3.29Å; A58-F60 PolarHBondContact O-N 3.02Å; F60-D62 VanDerWaalsContact C-N 3.3Å; F60-D62 PolarHBondContact O-N 3.5Å; F60-D63 WeakPolarHBondContact CA-OD1 3.29Å; F60-S64 WeakPolarHBondContact O-CB 3.41Å; F60-S64 PolarHBondContact O-N 3.11Å; F60-S64 VanDerWaalsContact O-N 3.11Å; F60-S64 VanDerWaalsContact O-O 3.11Å; F60-F66 HydrophobicContact CB-CE2 3.99Å; F60-F66 AromaticContact CD2-CE2 3.97Å; F60-F66 HydrophobicContact CD2-CE2 3.97Å; F60-F66 AromaticContact CD2-CZ 3.73Å; F60-F66 HydrophobicContact CD2-CZ 3.73Å; F60-F66 HydrophobicContact CE2-CZ 4.31Å; F60-F66 HydrophobicContact CG-CE2 4.35Å; F60-F66 HydrophobicContact CG-CZ 4.4Å; F60-M104 HydrophobicContact CB-CE 4.37Å; F60-M104 HydrophobicContact CD1-CE 3.75Å; F60-M104 HydrophobicContact CD2-CE 3.99Å; F60-M104 HydrophobicContact CE1-CE 3.91Å; F60-M104 HydrophobicContact CE2-CE 4.12Å; F60-M104 HydrophobicContact CG-CE 3.81Å; F60-M104 HydrophobicContact CZ-CE 4.08Å; F60-R108 VanDerWaalsContact CD1-CZ 3.46Å; F60-I113 HydrophobicContact CD1-CD1 4.33Å; F60-I113 HydrophobicContact CE1-CD1 3.58Å; F60-I113 HydrophobicContact CZ-CD1 4.03Å; F60-Y116 AromaticContact CE2-CD1 3.54Å; F60-Y116 HydrophobicContact CE2-CD1 3.54Å; F60-Y116 HydrophobicContact CE2-CD2 4.45Å; F60-Y116 AromaticContact CE2-CE1 3.4Å; F60-Y116 HydrophobicContact CE2-CE1 3.4Å; F60-Y116 HydrophobicContact CE2-CE2 4.32Å; F60-Y116 HydrophobicContact CE2-CG 4.07Å; F60-Y116 AromaticContact CE2-CZ 3.79Å; F60-Y116 AromaticContact CZ-CD1 3.46Å; F60-Y116 HydrophobicContact CZ-CD1 3.46Å; F60-Y116 VanDerWaalsContact CZ-CD1 3.46Å; F60-Y116 AromaticContact CZ-CD2 3.99Å; F60-Y116 HydrophobicContact CZ-CD2 3.99Å; F60-Y116 AromaticContact CZ-CE1 3.8Å; F60-Y116 HydrophobicContact CZ-CE1 3.8Å; F60-Y116 HydrophobicContact CZ-CE2 4.27Å; F60-Y116 AromaticContact CZ-CG 3.55Å; F60-Y116 HydrophobicContact CZ-CG 3.55Å
61R94.7Very high94.4Very high153 Ų15358.6 Ų58.658%0.57728%0.284SS*.THydrogen-bonded Turntrans-63.7-35.8-173.4-178.8-176.4-65.5142.2-0.5112.5R57 A58 R65R57-R61 WeakPolarHBondContact O-CA 3.37Å; R57-R61 PolarHBondContact O-N 3.14Å; R57-R61 VanDerWaalsContact O-N 3.17Å; A58-R61 WeakPolarHBondContact O-CB 3.38Å; A58-R61 PolarHBondContact O-N 3.5Å; R61-R65 PolarHBondContact O-NH1 3.05Å
62D94.2Very high94.5Very high145 Ų14557.7 Ų57.778%0.77528%0.278SS*.THydrogen-bonded Turntrans-87.4-26.3-168.1-56-35.7000112.4F60F60-D62 VanDerWaalsContact C-N 3.3Å; F60-D62 PolarHBondContact O-N 3.5Å
63D94.2Very high94.6Very high29 Ų2958 Ų5816%0.15528%0.28CS..THydrogen-bonded Turntrans-122.4-6.4-168.951.234.8000114.5Y37 F60 T106 Q107 R108Y37-D63 VanDerWaalsContact CE1-O 3.23Å; Y37-D63 WeakPolarHBondContact CE1-O 3.46Å; F60-D63 WeakPolarHBondContact CA-OD1 3.29Å; D63-T106 WeakPolarHBondContact O-CA 3.49Å; D63-Q107 PolarHBondContact O-N 3.26Å; D63-Q107 VanDerWaalsContact O-N 3.11Å; D63-R108 HydrophobicContact CB-CG 4.36Å; D63-R108 IonicContact OD1-NE 2.91Å; D63-R108 IonicContact OD1-NH2 3.25Å; D63-R108 IonicContact OD2-CZ 2.7Å; D63-R108 IonicContact OD2-NE 2.63Å; D63-R108 PolarHBondContact OD2-NE 3.13Å; D63-R108 IonicContact OD2-NH2 3.85Å; D63-R108 PolarHBondContact OD2-NH2 3.19Å
64S97Very high94.7Very high3 Ų358 Ų582%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-143.8158.4-172.3-420000114.2F60 M104 F105 T106F60-S64 WeakPolarHBondContact O-CB 3.41Å; F60-S64 PolarHBondContact O-N 3.11Å; F60-S64 VanDerWaalsContact O-N 3.11Å; F60-S64 VanDerWaalsContact O-O 3.11Å; S64-M104 WeakPolarHBondContact OG-CE 3.48Å; S64-F105 CarbonylContact C-O 3.58Å; S64-F105 WeakPolarHBondContact CA-O 3.26Å; S64-F105 WeakPolarHBondContact CB-O 3.48Å; S64-T106 VanDerWaalsContact OG-CB 3.26Å; S64-T106 WeakPolarHBondContact OG-CB 3.44Å; S64-T106 PolarHBondContact OG-OG1 3.24Å
65R97.1Very high94.8Very high109 Ų10954.8 Ų54.841%0.41126%0.264SS..EExtended strand (participates in β ladder)trans-132.9139175.7-62.8-70.3172.8-107.32.4110.2Y37 R61 M104 F105Y37-R65 HydrophobicContact CE2-CB 4.29Å; Y37-R65 HydrophobicContact CE2-CG 3.76Å; Y37-R65 WeakPolarHBondContact OH-CG 3.31Å; R61-R65 PolarHBondContact O-NH1 3.05Å; R65-M104 CarbonylContact O-C 3.54Å; R65-M104 WeakPolarHBondContact O-CA 3.25Å; R65-F105 PolarHBondContact N-O 3.17Å; R65-F105 PolarHBondContact O-N 3.37Å
66F96.9Very high94.8Very high23 Ų2354.7 Ų54.710%0.10127%0.265CS..EExtended strand (participates in β ladder)trans-111125.3176.1-67.1-96.1000109.8F43 V56 R57 F60 F68 L103 M104F43-F66 AromaticContact CE1-CD1 3.69Å; F43-F66 HydrophobicContact CE1-CD1 3.69Å; F43-F66 HydrophobicContact CE1-CE1 4.03Å; F43-F66 AromaticContact CZ-CD1 3.66Å; F43-F66 HydrophobicContact CZ-CD1 3.66Å; F43-F66 HydrophobicContact CZ-CE1 4.09Å; V56-F66 HydrophobicContact CG1-CE1 4.12Å; V56-F66 HydrophobicContact CG1-CE2 4.31Å; V56-F66 HydrophobicContact CG1-CZ 3.7Å; R57-F66 HydrophobicContact CG-CB 4.26Å; R57-F66 HydrophobicContact CG-CD2 3.74Å; R57-F66 HydrophobicContact CG-CE2 4.4Å; R57-F66 HydrophobicContact CG-CG 4.16Å; F60-F66 HydrophobicContact CB-CE2 3.99Å; F60-F66 AromaticContact CD2-CE2 3.97Å; F60-F66 HydrophobicContact CD2-CE2 3.97Å; F60-F66 AromaticContact CD2-CZ 3.73Å; F60-F66 HydrophobicContact CD2-CZ 3.73Å; F60-F66 HydrophobicContact CE2-CZ 4.31Å; F60-F66 HydrophobicContact CG-CE2 4.35Å; F60-F66 HydrophobicContact CG-CZ 4.4Å; F66-F68 HydrophobicContact CB-CE2 4.19Å; F66-L103 CarbonylContact C-O 3.54Å; F66-L103 WeakPolarHBondContact CA-O 3.23Å; F66-M104 HydrophobicContact CD1-CB 3.88Å; F66-M104 HydrophobicContact CD1-CG 4.21Å; F66-M104 HydrophobicContact CE1-CB 3.73Å; F66-M104 HydrophobicContact CE1-CG 3.73Å; F66-M104 HydrophobicContact CE1-SD 3.59Å; F66-M104 VanDerWaalsContact CE1-SD 3.59Å; F66-M104 HydrophobicContact CE2-CE 4.42Å; F66-M104 HydrophobicContact CE2-CG 4.43Å; F66-M104 HydrophobicContact CE2-SD 4.43Å; F66-M104 HydrophobicContact CZ-CB 4.37Å; F66-M104 HydrophobicContact CZ-CE 3.86Å; F66-M104 HydrophobicContact CZ-CG 3.85Å; F66-M104 HydrophobicContact CZ-SD 3.48Å; F66-M104 WeakPolarHBondContact CZ-SD 3.44Å
67L95.6Very high94.8Very high12 Ų1254.7 Ų54.76%0.06327%0.266CS..EExtended strand (participates in β ladder)trans-116.6135174-60.1-176.6000110.8K29 V30 L103 F105K29-L67 HydrophobicContact CD-CD1 4.39Å; K29-L67 HydrophobicContact CD-CD2 3.83Å; K29-L67 HydrophobicContact CG-CD1 4.09Å; K29-L67 HydrophobicContact CG-CD2 4.35Å; V30-L67 HydrophobicContact CB-CD1 4.48Å; V30-L67 HydrophobicContact CG2-CD1 3.74Å; L67-L103 PolarHBondContact N-O 3.48Å; L67-L103 PolarHBondContact O-N 2.87Å; L67-F105 HydrophobicContact CB-CE2 4.02Å; L67-F105 HydrophobicContact CD1-CD2 4.31Å; L67-F105 HydrophobicContact CD1-CE2 3.55Å; L67-F105 HydrophobicContact CD1-CZ 4.16Å; L67-F105 HydrophobicContact CG-CD2 4.26Å; L67-F105 HydrophobicContact CG-CE2 3.72Å
68F93.4Very high94.8Very high61 Ų6150.7 Ų50.727%0.26825%0.251SS..  trans-124.2145.3171.4-65.7-92.5000107.9F43 M48 M53 R57 F66F43-F68 HydrophobicContact CE2-CE1 4.2Å; F43-F68 AromaticContact CE2-CZ 3.91Å; F43-F68 HydrophobicContact CE2-CZ 3.91Å; F43-F68 HydrophobicContact CZ-CE1 4.04Å; F43-F68 HydrophobicContact CZ-CE2 4.3Å; F43-F68 AromaticContact CZ-CZ 3.53Å; F43-F68 HydrophobicContact CZ-CZ 3.53Å; M48-F68 HydrophobicContact CE-CE1 4.42Å; M48-F68 HydrophobicContact SD-CE1 3.78Å; M48-F68 HydrophobicContact SD-CZ 4.13Å; M53-F68 HydrophobicContact CE-CE1 4.37Å; M53-F68 HydrophobicContact CE-CE2 4.41Å; M53-F68 HydrophobicContact CE-CZ 3.59Å; M53-F68 HydrophobicContact CG-CE2 4.18Å; M53-F68 HydrophobicContact CG-CZ 4.27Å; M53-F68 HydrophobicContact SD-CE2 4.15Å; M53-F68 HydrophobicContact SD-CZ 3.86Å; R57-F68 VanDerWaalsContact NH2-CD2 3.35Å; F66-F68 HydrophobicContact CB-CE2 4.19Å
69G90.9Very high94.8Very high32 Ų3248.7 Ų48.733%0.3323%0.234SC..  trans-176.8-179.3-176.800000111.3N71G69-N71 PolarHBondContact O-N 2.93Å
70R91.3Very high94.6Very high177 Ų17750 Ų5067%0.66824%0.236SC*.  trans-66.1122.7178.4-169.8179.2-177.9167.82.1109.2S72 V73 I74R70-S72 WeakPolarHBondContact CD-OG 2.9Å; R70-S72 WeakPolarHBondContact CG-OG 3.41Å; R70-S72 PolarHBondContact NE-OG 3.2Å; R70-S72 PolarHBondContact O-N 3.37Å; R70-V73 HydrophobicContact CB-CB 4.4Å; R70-V73 HydrophobicContact CB-CG2 4.01Å; R70-V73 HydrophobicContact CG-CG2 4.49Å; R70-V73 WeakPolarHBondContact O-CA 3.29Å; R70-V73 WeakPolarHBondContact O-CB 3.43Å; R70-V73 PolarHBondContact O-N 2.85Å; R70-I74 PolarHBondContact O-N 3.4Å
71N94.2Very high94.4Very high46 Ų4654.6 Ų54.625%0.24626%0.257CS..Hα-helixtrans-46.6-42.3-179.1-69.21.3000113.4G69 V73 I74 A75 I97 G99 C101G69-N71 PolarHBondContact O-N 2.93Å; N71-V73 VanDerWaalsContact C-N 3.31Å; N71-V73 PolarHBondContact O-N 2.65Å; N71-I74 PolarHBondContact O-N 3.36Å; N71-A75 VanDerWaalsContact O-CB 3.29Å; N71-A75 WeakPolarHBondContact O-CB 3.49Å; N71-A75 PolarHBondContact O-N 3.03Å; N71-I97 HydrophobicContact CB-CG2 3.42Å; N71-I97 VanDerWaalsContact CB-CG2 3.42Å; N71-I97 VanDerWaalsContact CG-CG2 3.46Å; N71-G99 PolarHBondContact ND2-N 3.09Å; N71-G99 PolarHBondContact ND2-O 3.42Å; N71-C101 PolarHBondContact OD1-SG 3.28Å
72S92.6Very high94.2Very high47 Ų4750.6 Ų50.633%0.32925%0.251SS..Hα-helixtrans-64.5-32.7179.161.90000113.8R70 I76R70-S72 WeakPolarHBondContact CD-OG 2.9Å; R70-S72 WeakPolarHBondContact CG-OG 3.41Å; R70-S72 PolarHBondContact NE-OG 3.2Å; R70-S72 PolarHBondContact O-N 3.37Å; S72-I76 WeakPolarHBondContact O-CD1 3.47Å; S72-I76 VanDerWaalsContact O-CG1 3.28Å; S72-I76 WeakPolarHBondContact O-CG1 3.46Å; S72-I76 PolarHBondContact O-N 3.32Å
73V93.8Very high94.1Very high10 Ų1047.6 Ų47.66%0.06125%0.254CS..Hα-helixtrans-79.6-42.7179-179.30000109.9N23 L26 V27 R70 N71 A75 I76 A77N23-V73 HydrophobicContact CB-CG1 4.06Å; N23-V73 HydrophobicContact CB-CG2 4.13Å; L26-V73 HydrophobicContact CB-CG1 4.4Å; L26-V73 HydrophobicContact CD2-CB 4.27Å; L26-V73 HydrophobicContact CD2-CG1 3.89Å; L26-V73 HydrophobicContact CG-CG1 4.35Å; V27-V73 HydrophobicContact CG2-CG1 3.68Å; R70-V73 HydrophobicContact CB-CB 4.4Å; R70-V73 HydrophobicContact CB-CG2 4.01Å; R70-V73 HydrophobicContact CG-CG2 4.49Å; R70-V73 WeakPolarHBondContact O-CA 3.29Å; R70-V73 WeakPolarHBondContact O-CB 3.43Å; R70-V73 PolarHBondContact O-N 2.85Å; N71-V73 VanDerWaalsContact C-N 3.31Å; N71-V73 PolarHBondContact O-N 2.65Å; V73-A75 VanDerWaalsContact C-N 3.29Å; V73-A75 PolarHBondContact O-N 3.43Å; V73-I76 WeakPolarHBondContact O-CB 3.34Å; V73-I76 PolarHBondContact O-N 3.03Å; V73-I76 VanDerWaalsContact O-N 3.13Å; V73-A77 PolarHBondContact O-N 3.04Å
74I95.8Very high93.9Very high2 Ų251.7 Ų51.71%0.0127%0.272CS..Hα-helixtrans-60.4-42.9173.9-60.8178000110.3L26 R70 N71 I76 A77 L78 I97 L103L26-I74 HydrophobicContact CD2-CG1 4.45Å; R70-I74 PolarHBondContact O-N 3.4Å; N71-I74 PolarHBondContact O-N 3.36Å; I74-I76 VanDerWaalsContact C-N 3.27Å; I74-I76 PolarHBondContact O-N 2.91Å; I74-A77 WeakPolarHBondContact O-CB 3.4Å; I74-A77 PolarHBondContact O-N 3.1Å; I74-L78 HydrophobicContact CG2-CD1 4.21Å; I74-L78 HydrophobicContact CG2-CG 4.4Å; I74-L78 WeakPolarHBondContact O-CG 3.36Å; I74-L78 PolarHBondContact O-N 2.99Å; I74-I97 HydrophobicContact CB-CD1 4.09Å; I74-I97 HydrophobicContact CG2-CD1 3.52Å; I74-L103 HydrophobicContact CG2-CD1 3.42Å; I74-L103 VanDerWaalsContact CG2-CD1 3.42Å; I74-L103 HydrophobicContact CG2-CG 4.02Å
75A95.4Very high93.6Very high13 Ų1354 Ų5411%0.10728%0.283CS..Hα-helixtrans-62.3-32.2176.600000113.2N71 V73 G79 R80N71-A75 VanDerWaalsContact O-CB 3.29Å; N71-A75 WeakPolarHBondContact O-CB 3.49Å; N71-A75 PolarHBondContact O-N 3.03Å; V73-A75 VanDerWaalsContact C-N 3.29Å; V73-A75 PolarHBondContact O-N 3.43Å; A75-G79 CarbonylContact O-C 3.51Å; A75-G79 VanDerWaalsContact O-C 3.26Å; A75-G79 WeakPolarHBondContact O-CA 3.37Å; A75-G79 PolarHBondContact O-N 3.31Å; A75-R80 HydrophobicContact CB-CG 4.4Å
76I94.6Very high93.3Very high75 Ų7553 Ų5339%0.38528%0.28SS..Hα-helixtrans-69.5-41.6171.6-68.5162.5000110.5S72 V73 I74 L78 G79 R80S72-I76 WeakPolarHBondContact O-CD1 3.47Å; S72-I76 VanDerWaalsContact O-CG1 3.28Å; S72-I76 WeakPolarHBondContact O-CG1 3.46Å; S72-I76 PolarHBondContact O-N 3.32Å; V73-I76 WeakPolarHBondContact O-CB 3.34Å; V73-I76 PolarHBondContact O-N 3.03Å; V73-I76 VanDerWaalsContact O-N 3.13Å; I74-I76 VanDerWaalsContact C-N 3.27Å; I74-I76 PolarHBondContact O-N 2.91Å; I76-L78 VanDerWaalsContact C-N 3.31Å; I76-L78 PolarHBondContact O-N 3.3Å; I76-G79 PolarHBondContact O-N 3.34Å; I76-R80 VanDerWaalsContact CG1-NH2 3.31Å
77A95.3Very high93.1Very high1 Ų153.8 Ų53.81%0.00829%0.288CS..Hα-helixtrans-62-39.6-178.900000112.6V27 V30 R31 V73 I74V27-A77 HydrophobicContact CB-CB 4.2Å; V27-A77 HydrophobicContact CG1-CB 4.01Å; V27-A77 HydrophobicContact CG2-CB 4.1Å; V30-A77 HydrophobicContact CB-CB 3.77Å; V30-A77 HydrophobicContact CG1-CB 3.6Å; V30-A77 HydrophobicContact CG2-CB 4.34Å; R31-A77 PolarHBondContact NE-O 2.93Å; V73-A77 PolarHBondContact O-N 3.04Å; I74-A77 WeakPolarHBondContact O-CB 3.4Å; I74-A77 PolarHBondContact O-N 3.1Å
78L96Very high92.9Very high0 Ų059.8 Ų59.80%031%0.313CS..Hα-helixtrans-78.3-28.7176.2-59.7-179.9000113.3V30 I34 I74 I76 Y86 L90 L93 I97 L103V30-L78 HydrophobicContact CG1-CD2 4.13Å; I34-L78 HydrophobicContact CD1-CD2 3.84Å; I74-L78 HydrophobicContact CG2-CD1 4.21Å; I74-L78 HydrophobicContact CG2-CG 4.4Å; I74-L78 WeakPolarHBondContact O-CG 3.36Å; I74-L78 PolarHBondContact O-N 2.99Å; I76-L78 VanDerWaalsContact C-N 3.31Å; I76-L78 PolarHBondContact O-N 3.3Å; L78-Y86 PolarHBondContact O-N 2.86Å; L78-Y86 VanDerWaalsContact O-N 3.15Å; L78-L90 HydrophobicContact CB-CD2 4.13Å; L78-L90 HydrophobicContact CB-CG 4.05Å; L78-L90 HydrophobicContact CD2-CD1 4.14Å; L78-L90 HydrophobicContact CD2-CD2 3.63Å; L78-L90 HydrophobicContact CD2-CG 3.79Å; L78-L90 HydrophobicContact CG-CD2 4.48Å; L78-L90 HydrophobicContact CG-CG 4.42Å; L78-L93 HydrophobicContact CD1-CB 3.94Å; L78-I97 HydrophobicContact CD1-CD1 3.81Å; L78-L103 HydrophobicContact CD1-CD1 4.37Å; L78-L103 HydrophobicContact CD2-CD1 4.2Å
79G95.2Very high93Very high1 Ų158.5 Ų58.51%0.0131%0.31CS..  trans95.3135.2-169.800000112.6A75 I76 E84 H91 S94A75-G79 CarbonylContact O-C 3.51Å; A75-G79 VanDerWaalsContact O-C 3.26Å; A75-G79 WeakPolarHBondContact O-CA 3.37Å; A75-G79 PolarHBondContact O-N 3.31Å; I76-G79 PolarHBondContact O-N 3.34Å; G79-E84 WeakPolarHBondContact CA-O 3.3Å; G79-H91 WeakPolarHBondContact O-CA 3.31Å; G79-H91 WeakPolarHBondContact O-CB 3.42Å; G79-S94 WeakPolarHBondContact O-CB 3.44Å; G79-S94 PolarHBondContact O-OG 3.35Å
80R92.4Very high93.1Very high111 Ų11157 Ų5742%0.41929%0.294SS..SBendtrans-88.1-27.8-173.9-65.3176.8176.8173.3-1113.4A75 I76A75-R80 HydrophobicContact CB-CG 4.4Å; I76-R80 VanDerWaalsContact CG1-NH2 3.31Å
81Q92.8Very high93.3Very high96 Ų9649.3 Ų49.345%0.44927%0.265SS..SBendtrans-130.5161.4-176.9-60-62.3-11.200109.2G83 E84 E85Q81-G83 PolarHBondContact O-N 3.34Å; Q81-G83 VanDerWaalsContact O-N 3.14Å; Q81-E84 PolarHBondContact O-N 3.26Å; Q81-E85 PolarHBondContact O-N 2.94Å
82P90.4Very high93.2Very high70 Ų7051.3 Ų51.346%0.45527%0.272SS..G310 helixtrans-52.4-34.3176.2-26.533.3000114E84 E85P82-E84 VanDerWaalsContact C-N 3.33Å; P82-E84 PolarHBondContact O-N 3.1Å; P82-E85 VanDerWaalsContact O-CG 3.3Å; P82-E85 WeakPolarHBondContact O-CG 3.49Å
83G90.8Very high93.3Very high82 Ų8249.1 Ų49.185%0.84526%0.256SS*.G310 helixtrans-76.9-13.7178.500000115.4Q81Q81-G83 PolarHBondContact O-N 3.34Å; Q81-G83 VanDerWaalsContact O-N 3.14Å
84E90.4Very high93.3Very high114 Ų11449 Ų4953%0.53326%0.257SS..G310 helixtrans-108.31.8179.2-64.9175.9-165.600112G79 Q81 P82 Y86G79-E84 WeakPolarHBondContact CA-O 3.3Å; Q81-E84 PolarHBondContact O-N 3.26Å; P82-E84 VanDerWaalsContact C-N 3.33Å; P82-E84 PolarHBondContact O-N 3.1Å; E84-Y86 PolarHBondContact O-N 2.89Å
85E91.2Very high93.1Very high52 Ų5255.7 Ų55.724%0.24328%0.282CS..  trans-70.1133-172.577.5-175.1173.700111.6Q81 P82 S87 K88 N89 L90 H91Q81-E85 PolarHBondContact O-N 2.94Å; P82-E85 VanDerWaalsContact O-CG 3.3Å; P82-E85 WeakPolarHBondContact O-CG 3.49Å; E85-S87 VanDerWaalsContact C-N 3.25Å; E85-S87 VanDerWaalsContact CD-O 3.24Å; E85-S87 VanDerWaalsContact CG-O 3.23Å; E85-S87 WeakPolarHBondContact CG-O 3.16Å; E85-S87 PolarHBondContact O-N 2.83Å; E85-K88 WeakPolarHBondContact OE1-CA 3.45Å; E85-N89 VanDerWaalsContact CD-N 3.28Å; E85-N89 PolarHBondContact OE1-N 3.42Å; E85-N89 VanDerWaalsContact OE2-CA 3.26Å; E85-N89 WeakPolarHBondContact OE2-CA 3.39Å; E85-N89 PolarHBondContact OE2-N 2.95Å; E85-L90 PolarHBondContact OE2-N 2.95Å; E85-H91 HydrophobicContact CB-CB 4.27Å; E85-H91 IonicContact OE2-CE1 3.56Å; E85-H91 IonicContact OE2-CG 3.66Å; E85-H91 IonicContact OE2-ND1 2.66Å; E85-H91 PolarHBondContact OE2-ND1 2.83Å
86Y91.2Very high92.9Very high88 Ų8857 Ų5735%0.34529%0.289SS..SBendtrans-68.4-31.9177.7-173.2-112000111.6R31 I34 D35 L78 E84R31-Y86 HydrophobicContact CB-CE1 4Å; R31-Y86 HydrophobicContact CB-CE2 4.21Å; R31-Y86 HydrophobicContact CG-CD1 4.14Å; R31-Y86 HydrophobicContact CG-CD2 3.96Å; R31-Y86 HydrophobicContact CG-CE1 4.09Å; R31-Y86 HydrophobicContact CG-CE2 3.91Å; R31-Y86 HydrophobicContact CG-CG 4.07Å; I34-Y86 HydrophobicContact CB-CD1 4.26Å; I34-Y86 HydrophobicContact CB-CE1 4.24Å; I34-Y86 HydrophobicContact CD1-CD1 4Å; I34-Y86 HydrophobicContact CG2-CD1 3.97Å; I34-Y86 HydrophobicContact CG2-CE1 4.15Å; D35-Y86 VanDerWaalsContact OD1-CE1 3.31Å; D35-Y86 WeakPolarHBondContact OD1-CE1 3.46Å; D35-Y86 PolarHBondContact OD1-OH 3.33Å; D35-Y86 PolarHBondContact OD2-OH 3.23Å; L78-Y86 PolarHBondContact O-N 2.86Å; L78-Y86 VanDerWaalsContact O-N 3.15Å; E84-Y86 PolarHBondContact O-N 2.89Å
87S91.7Very high92.8Very high39 Ų3954.3 Ų54.327%0.27328%0.276SS..SBendtrans-148.4162.1173.3-169.50000110.6E85 N89 L90 W227E85-S87 VanDerWaalsContact C-N 3.25Å; E85-S87 VanDerWaalsContact CD-O 3.24Å; E85-S87 VanDerWaalsContact CG-O 3.23Å; E85-S87 WeakPolarHBondContact CG-O 3.16Å; E85-S87 PolarHBondContact O-N 2.83Å; S87-N89 PolarHBondContact O-N 3.31Å; S87-L90 WeakPolarHBondContact O-CB 3.21Å; S87-L90 PolarHBondContact O-N 2.9Å; S87-W227 WeakPolarHBondContact OG-CZ2 3.46Å
88K92.2Very high92.5Very high138 Ų13856.7 Ų56.760%0.629%0.293SS*.THydrogen-bonded Turntrans-53.1129-171.2-171.5178.2-179.5-178.90111.8E85 L90 W227E85-K88 WeakPolarHBondContact OE1-CA 3.45Å; K88-L90 PolarHBondContact O-N 2.93Å; K88-W227 PolarHBondContact O-NE1 3.24Å
89N94.6Very high92.2Very high35 Ų3559.4 Ų59.419%0.18732%0.32CS..THydrogen-bonded Turntrans62.67-178.7-63.7-55.6000116.4E85 S87 H91 K92 G232 V234E85-N89 VanDerWaalsContact CD-N 3.28Å; E85-N89 PolarHBondContact OE1-N 3.42Å; E85-N89 VanDerWaalsContact OE2-CA 3.26Å; E85-N89 WeakPolarHBondContact OE2-CA 3.39Å; E85-N89 PolarHBondContact OE2-N 2.95Å; S87-N89 PolarHBondContact O-N 3.31Å; N89-H91 PolarHBondContact O-N 2.81Å; N89-K92 HydrophobicContact CB-CD 4.08Å; N89-K92 HydrophobicContact CB-CG 4.48Å; N89-K92 WeakPolarHBondContact O-CB 3.46Å; N89-K92 WeakPolarHBondContact O-CG 3.5Å; N89-K92 PolarHBondContact O-N 2.83Å; N89-K92 WeakPolarHBondContact OD1-CE 3.47Å; N89-K92 PolarHBondContact OD1-NZ 3.4Å; N89-G232 VanDerWaalsContact CB-O 3.3Å; N89-G232 WeakPolarHBondContact CB-O 3.4Å; N89-G232 PolarHBondContact ND2-O 3.08Å; N89-V234 HydrophobicContact CB-CG2 4Å
90L93.8Very high91.9Very high0 Ų065.8 Ų65.80%035%0.35CS..THydrogen-bonded Turntrans-68.6-24.7-177.3-161.567.4000112.1I34 L78 E85 S87 K88 K92 L93 S94 W227I34-L90 HydrophobicContact CD1-CD2 3.69Å; I34-L90 HydrophobicContact CG1-CD2 4.46Å; I34-L90 HydrophobicContact CG2-CD2 4.48Å; L78-L90 HydrophobicContact CB-CD2 4.13Å; L78-L90 HydrophobicContact CB-CG 4.05Å; L78-L90 HydrophobicContact CD2-CD1 4.14Å; L78-L90 HydrophobicContact CD2-CD2 3.63Å; L78-L90 HydrophobicContact CD2-CG 3.79Å; L78-L90 HydrophobicContact CG-CD2 4.48Å; L78-L90 HydrophobicContact CG-CG 4.42Å; E85-L90 PolarHBondContact OE2-N 2.95Å; S87-L90 WeakPolarHBondContact O-CB 3.21Å; S87-L90 PolarHBondContact O-N 2.9Å; K88-L90 PolarHBondContact O-N 2.93Å; L90-K92 PolarHBondContact O-N 2.72Å; L90-K92 VanDerWaalsContact O-N 3.12Å; L90-L93 HydrophobicContact CD1-CD2 4.22Å; L90-L93 WeakPolarHBondContact O-CB 3.23Å; L90-L93 PolarHBondContact O-N 2.71Å; L90-S94 PolarHBondContact O-N 3.11Å; L90-W227 HydrophobicContact CD1-CB 4.4Å; L90-W227 HydrophobicContact CD1-CD2 3.73Å; L90-W227 HydrophobicContact CD1-CE3 4.18Å; L90-W227 HydrophobicContact CD1-CG 3.83Å
91H94.4Very high91.9Very high15 Ų1560.8 Ų60.87%0.06933%0.332CS..Hα-helixtrans-59.8-20.9171.975-84.2000113.6G79 E85 N89 L93 S94 R95G79-H91 WeakPolarHBondContact O-CA 3.31Å; G79-H91 WeakPolarHBondContact O-CB 3.42Å; E85-H91 HydrophobicContact CB-CB 4.27Å; E85-H91 IonicContact OE2-CE1 3.56Å; E85-H91 IonicContact OE2-CG 3.66Å; E85-H91 IonicContact OE2-ND1 2.66Å; E85-H91 PolarHBondContact OE2-ND1 2.83Å; N89-H91 PolarHBondContact O-N 2.81Å; H91-L93 VanDerWaalsContact C-N 3.29Å; H91-L93 PolarHBondContact O-N 2.93Å; H91-S94 WeakPolarHBondContact CA-OG 3.38Å; H91-S94 PolarHBondContact O-N 3.06Å; H91-S94 PolarHBondContact O-OG 2.88Å; H91-R95 WeakPolarHBondContact O-CG 3.36Å; H91-R95 PolarHBondContact O-N 3.3Å; H91-R95 VanDerWaalsContact O-N 3.12Å
92K93.6Very high92Very high89 Ų8956.3 Ų56.339%0.38731%0.311SS..Hα-helixtrans-67.2-33.8175.6-62-177.7-176.6170.70111.5N89 L90 S96 V234N89-K92 HydrophobicContact CB-CD 4.08Å; N89-K92 HydrophobicContact CB-CG 4.48Å; N89-K92 WeakPolarHBondContact O-CB 3.46Å; N89-K92 WeakPolarHBondContact O-CG 3.5Å; N89-K92 PolarHBondContact O-N 2.83Å; N89-K92 WeakPolarHBondContact OD1-CE 3.47Å; N89-K92 PolarHBondContact OD1-NZ 3.4Å; L90-K92 PolarHBondContact O-N 2.72Å; L90-K92 VanDerWaalsContact O-N 3.12Å; K92-S96 PolarHBondContact O-OG 2.63Å; K92-V234 HydrophobicContact CB-CG2 4.35Å; K92-V234 HydrophobicContact CD-CB 4.4Å; K92-V234 HydrophobicContact CD-CG2 4.24Å
93L94.1Very high92.3Very high0 Ų053 Ų530%029%0.29CS..Hα-helixtrans-67.6-48.5173.1-85.663.6000109.6V40 L42 L78 L90 H91 R95 S96 I97 L225 W227 V234V40-L93 HydrophobicContact CB-CD2 4.28Å; V40-L93 HydrophobicContact CG1-CD2 3.81Å; L42-L93 HydrophobicContact CB-CD2 4.47Å; L42-L93 HydrophobicContact CB-CG 4.35Å; L78-L93 HydrophobicContact CD1-CB 3.94Å; L90-L93 HydrophobicContact CD1-CD2 4.22Å; L90-L93 WeakPolarHBondContact O-CB 3.23Å; L90-L93 PolarHBondContact O-N 2.71Å; H91-L93 VanDerWaalsContact C-N 3.29Å; H91-L93 PolarHBondContact O-N 2.93Å; L93-R95 VanDerWaalsContact C-N 3.32Å; L93-R95 PolarHBondContact O-N 3.46Å; L93-S96 WeakPolarHBondContact O-CA 3.27Å; L93-S96 WeakPolarHBondContact O-CB 3.31Å; L93-S96 PolarHBondContact O-N 3.43Å; L93-I97 WeakPolarHBondContact O-CG1 3.31Å; L93-I97 PolarHBondContact O-N 3.08Å; L93-L225 HydrophobicContact CD1-CB 4.14Å; L93-L225 HydrophobicContact CD1-CD1 4.12Å; L93-L225 HydrophobicContact CG-CB 4.17Å; L93-L225 HydrophobicContact CG-CD1 4.14Å; L93-W227 HydrophobicContact CD1-CB 3.79Å; L93-W227 HydrophobicContact CD2-CB 3.97Å; L93-V234 HydrophobicContact CD1-CG1 3.82Å; L93-V234 HydrophobicContact CD1-CG2 3.92Å
94S93.6Very high92.6Very high9 Ų949.1 Ų49.16%0.06325%0.25CC..Hα-helixtrans-58.7-40.2-176.575.20000113.1G79 L90 H91 S96 I97G79-S94 WeakPolarHBondContact O-CB 3.44Å; G79-S94 PolarHBondContact O-OG 3.35Å; L90-S94 PolarHBondContact O-N 3.11Å; H91-S94 WeakPolarHBondContact CA-OG 3.38Å; H91-S94 PolarHBondContact O-N 3.06Å; H91-S94 PolarHBondContact O-OG 2.88Å; S94-S96 PolarHBondContact O-N 3.01Å; S94-I97 WeakPolarHBondContact O-CB 3.24Å; S94-I97 PolarHBondContact O-N 3.34Å
95R92.3Very high93Very high142 Ų14243.7 Ų43.754%0.53622%0.224SC..Hα-helixtrans-64.3-23.5175.3-70.9177.2179180-0.3113.8H91 L93H91-R95 WeakPolarHBondContact O-CG 3.36Å; H91-R95 PolarHBondContact O-N 3.3Å; H91-R95 VanDerWaalsContact O-N 3.12Å; L93-R95 VanDerWaalsContact C-N 3.32Å; L93-R95 PolarHBondContact O-N 3.46Å
96S91.4Very high93.3Very high39 Ų3941.2 Ų41.227%0.27321%0.213SC..Hα-helixtrans-92.1-13-178.8-600000113.2K92 L93 S94 S98 L225K92-S96 PolarHBondContact O-OG 2.63Å; L93-S96 WeakPolarHBondContact O-CA 3.27Å; L93-S96 WeakPolarHBondContact O-CB 3.31Å; L93-S96 PolarHBondContact O-N 3.43Å; S94-S96 PolarHBondContact O-N 3.01Å; S96-S98 PolarHBondContact O-N 2.78Å; S96-L225 WeakPolarHBondContact OG-CD1 3.24Å
97I92.5Very high93.5Very high19 Ų1942.2 Ų42.210%0.09722%0.22CC..  trans-63.3119.3176.5-64.3-179.6000110L42 N71 I74 L78 L93 S94 C101L42-I97 HydrophobicContact CD1-CG1 3.85Å; L42-I97 HydrophobicContact CD2-CG1 4.17Å; N71-I97 HydrophobicContact CB-CG2 3.42Å; N71-I97 VanDerWaalsContact CB-CG2 3.42Å; N71-I97 VanDerWaalsContact CG-CG2 3.46Å; I74-I97 HydrophobicContact CB-CD1 4.09Å; I74-I97 HydrophobicContact CG2-CD1 3.52Å; L78-I97 HydrophobicContact CD1-CD1 3.81Å; L93-I97 WeakPolarHBondContact O-CG1 3.31Å; L93-I97 PolarHBondContact O-N 3.08Å; S94-I97 WeakPolarHBondContact O-CB 3.24Å; S94-I97 PolarHBondContact O-N 3.34Å; I97-C101 WeakPolarHBondContact CG2-SG 3.38Å
98S88.6Confident93.7Very high52 Ų5243.5 Ų43.536%0.36422%0.219SC..  trans-164.1154.7173.261.70000110.7S96 K240S96-S98 PolarHBondContact O-N 2.78Å; S98-K240 WeakPolarHBondContact OG-CE 3.49Å; S98-K240 PolarHBondContact OG-NZ 3.24Å
99G89.6Confident93.7Very high56 Ų5639.4 Ų39.458%0.57721%0.208SC*.SBendtrans63.8-144.7-179.700000112.2N71 C101N71-G99 PolarHBondContact ND2-N 3.09Å; N71-G99 PolarHBondContact ND2-O 3.42Å; G99-C101 PolarHBondContact O-N 3.04Å
100Q88.7Confident93.6Very high135 Ų13538.4 Ų38.463%0.63121%0.205SC*.SBendtrans-86.890.4177.2-67.7-63.9-57.200110.2T44T44-Q100 PolarHBondContact OG1-O 2.89Å
101C92.5Very high93.6Very high7 Ų744.3 Ų44.35%0.04724%0.237CC..EExtended strand (participates in β ladder)trans-119.3152176.855.80000112.1L42 F43 N71 I97 G99L42-C101 HydrophobicContact CD1-CB 4.02Å; F43-C101 CarbonylContact O-C 3.57Å; F43-C101 VanDerWaalsContact O-CA 3.24Å; F43-C101 WeakPolarHBondContact O-CA 3.36Å; F43-C101 WeakPolarHBondContact O-CB 3.22Å; N71-C101 PolarHBondContact OD1-SG 3.28Å; I97-C101 WeakPolarHBondContact CG2-SG 3.38Å; G99-C101 PolarHBondContact O-N 3.04Å
102G94.5Very high93.6Very high1 Ų148 Ų481%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-126.6158.7173.300000111F43F43-G102 VanDerWaalsContact CD1-O 3.27Å; F43-G102 WeakPolarHBondContact CD1-O 3.09Å; F43-G102 VanDerWaalsContact CE1-C 3.48Å; F43-G102 PolarHBondContact N-O 2.84Å; F43-G102 PolarHBondContact O-N 3.44Å
103L97.3Very high93.7Very high1 Ų143.7 Ų43.71%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-104.5134.3167.5-66.9-177.9000109.4V30 V40 I41 L42 F66 L67 I74 L78 F105V30-L103 HydrophobicContact CG1-CD1 4.3Å; V40-L103 HydrophobicContact CG1-CD2 4.31Å; I41-L103 CarbonylContact O-C 3.26Å; I41-L103 WeakPolarHBondContact O-CA 3.17Å; L42-L103 HydrophobicContact CB-CD2 4.29Å; L42-L103 HydrophobicContact CD1-CD2 3.84Å; F66-L103 CarbonylContact C-O 3.54Å; F66-L103 WeakPolarHBondContact CA-O 3.23Å; L67-L103 PolarHBondContact N-O 3.48Å; L67-L103 PolarHBondContact O-N 2.87Å; I74-L103 HydrophobicContact CG2-CD1 3.42Å; I74-L103 VanDerWaalsContact CG2-CD1 3.42Å; I74-L103 HydrophobicContact CG2-CG 4.02Å; L78-L103 HydrophobicContact CD1-CD1 4.37Å; L78-L103 HydrophobicContact CD2-CD1 4.2Å; L103-F105 HydrophobicContact CB-CE2 3.63Å; L103-F105 HydrophobicContact CB-CZ 3.78Å; L103-F105 HydrophobicContact CD1-CE2 4.34Å; L103-F105 HydrophobicContact CD1-CZ 3.71Å; L103-F105 HydrophobicContact CG-CZ 4.4Å
104M97.3Very high93.7Very high0 Ų045.6 Ų45.60%025%0.249CC..EExtended strand (participates in β ladder)trans-112.7128.1167.5172.4-179.8-176.900108.2I41 F43 F60 S64 R65 F66 T106 I113 F117I41-M104 HydrophobicContact CB-CB 4.16Å; I41-M104 HydrophobicContact CD1-SD 4.43Å; I41-M104 PolarHBondContact N-O 2.68Å; I41-M104 PolarHBondContact O-N 3.33Å; F43-M104 HydrophobicContact CD1-CB 4.09Å; F43-M104 HydrophobicContact CE1-CB 3.91Å; F60-M104 HydrophobicContact CB-CE 4.37Å; F60-M104 HydrophobicContact CD1-CE 3.75Å; F60-M104 HydrophobicContact CD2-CE 3.99Å; F60-M104 HydrophobicContact CE1-CE 3.91Å; F60-M104 HydrophobicContact CE2-CE 4.12Å; F60-M104 HydrophobicContact CG-CE 3.81Å; F60-M104 HydrophobicContact CZ-CE 4.08Å; S64-M104 WeakPolarHBondContact OG-CE 3.48Å; R65-M104 CarbonylContact O-C 3.54Å; R65-M104 WeakPolarHBondContact O-CA 3.25Å; F66-M104 HydrophobicContact CD1-CB 3.88Å; F66-M104 HydrophobicContact CD1-CG 4.21Å; F66-M104 HydrophobicContact CE1-CB 3.73Å; F66-M104 HydrophobicContact CE1-CG 3.73Å; F66-M104 HydrophobicContact CE1-SD 3.59Å; F66-M104 VanDerWaalsContact CE1-SD 3.59Å; F66-M104 HydrophobicContact CE2-CE 4.42Å; F66-M104 HydrophobicContact CE2-CG 4.43Å; F66-M104 HydrophobicContact CE2-SD 4.43Å; F66-M104 HydrophobicContact CZ-CB 4.37Å; F66-M104 HydrophobicContact CZ-CE 3.86Å; F66-M104 HydrophobicContact CZ-CG 3.85Å; F66-M104 HydrophobicContact CZ-SD 3.48Å; F66-M104 WeakPolarHBondContact CZ-SD 3.44Å; M104-T106 HydrophobicContact CE-CG2 4.26Å; M104-I113 HydrophobicContact CE-CD1 3.47Å; M104-I113 VanDerWaalsContact CE-CD1 3.47Å; M104-I113 HydrophobicContact CE-CG1 4.49Å; M104-I113 HydrophobicContact SD-CD1 4.43Å; M104-I113 HydrophobicContact SD-CG2 4.38Å; M104-F117 HydrophobicContact SD-CE2 3.68Å; M104-F117 HydrophobicContact SD-CZ 3.74Å
105F98.2Very high93.8Very high0 Ų048 Ų480%027%0.266CS..EExtended strand (participates in β ladder)trans-108.5128.2174.3-55.3-91.7000106.7V30 C33 I34 Y37 Q39 V40 S64 R65 L67 L103V30-F105 HydrophobicContact CG1-CZ 4.14Å; C33-F105 HydrophobicContact CB-CB 4.1Å; C33-F105 HydrophobicContact CB-CD1 3.54Å; C33-F105 HydrophobicContact CB-CD2 3.76Å; C33-F105 HydrophobicContact CB-CE1 3.87Å; C33-F105 HydrophobicContact CB-CE2 4.07Å; C33-F105 HydrophobicContact CB-CG 3.5Å; C33-F105 HydrophobicContact CB-CZ 4.12Å; I34-F105 HydrophobicContact CG1-CD1 4.42Å; I34-F105 HydrophobicContact CG1-CE1 3.75Å; Y37-F105 HydrophobicContact CD2-CB 3.54Å; Y37-F105 HydrophobicContact CE2-CB 4.25Å; Y37-F105 HydrophobicContact CG-CB 3.71Å; Q39-F105 WeakPolarHBondContact O-CA 3.38Å; V40-F105 HydrophobicContact CB-CD1 4.49Å; V40-F105 HydrophobicContact CG1-CD1 4.22Å; V40-F105 HydrophobicContact CG1-CE1 3.85Å; V40-F105 HydrophobicContact CG1-CZ 4.5Å; V40-F105 HydrophobicContact CG2-CD1 3.8Å; V40-F105 HydrophobicContact CG2-CE1 3.93Å; S64-F105 CarbonylContact C-O 3.58Å; S64-F105 WeakPolarHBondContact CA-O 3.26Å; S64-F105 WeakPolarHBondContact CB-O 3.48Å; R65-F105 PolarHBondContact N-O 3.17Å; R65-F105 PolarHBondContact O-N 3.37Å; L67-F105 HydrophobicContact CB-CE2 4.02Å; L67-F105 HydrophobicContact CD1-CD2 4.31Å; L67-F105 HydrophobicContact CD1-CE2 3.55Å; L67-F105 HydrophobicContact CD1-CZ 4.16Å; L67-F105 HydrophobicContact CG-CD2 4.26Å; L67-F105 HydrophobicContact CG-CE2 3.72Å; L103-F105 HydrophobicContact CB-CE2 3.63Å; L103-F105 HydrophobicContact CB-CZ 3.78Å; L103-F105 HydrophobicContact CD1-CE2 4.34Å; L103-F105 HydrophobicContact CD1-CZ 3.71Å; L103-F105 HydrophobicContact CG-CZ 4.4Å
106T97.6Very high93.9Very high0 Ų042.9 Ų42.90%025%0.247CC..EExtended strand (participates in β ladder)trans-150.4150-171.6-171.60000112.7E38 Q39 I41 D63 S64 M104 R108 I113E38-T106 PolarHBondContact N-O 3.38Å; Q39-T106 HydrophobicContact CB-CG2 3.9Å; Q39-T106 PolarHBondContact N-O 3.4Å; Q39-T106 PolarHBondContact O-N 2.76Å; I41-T106 HydrophobicContact CD1-CG2 3.84Å; D63-T106 WeakPolarHBondContact O-CA 3.49Å; S64-T106 VanDerWaalsContact OG-CB 3.26Å; S64-T106 WeakPolarHBondContact OG-CB 3.44Å; S64-T106 PolarHBondContact OG-OG1 3.24Å; M104-T106 HydrophobicContact CE-CG2 4.26Å; T106-R108 PolarHBondContact OG1-N 2.81Å; T106-R108 VanDerWaalsContact OG1-N 3.08Å; T106-I113 HydrophobicContact CG2-CD1 4.27Å; T106-I113 HydrophobicContact CG2-CG1 4.06Å
107Q96.1Very high94.1Very high109 Ų10941.3 Ų41.351%0.50924%0.235SC..SBendtrans-95.7-2.3168.7-76.2155.6-4.400112.5Y37 D63Y37-Q107 HydrophobicContact CD1-CG 3.89Å; Y37-Q107 HydrophobicContact CE1-CG 4.44Å; D63-Q107 PolarHBondContact O-N 3.26Å; D63-Q107 VanDerWaalsContact O-N 3.11Å
108R94.3Very high94.2Very high66 Ų6647.8 Ų47.825%0.24926%0.263CS..SBendtrans-71.4160.6177.7-69.8-158.2-175.4-179.38.8112.4Q39 H59 F60 D63 T106 I113Q39-R108 PolarHBondContact OE1-O 2.84Å; H59-R108 PolarHBondContact CE1-NH1 2.86Å; H59-R108 PolarHBondContact O-NH2 3.19Å; F60-R108 VanDerWaalsContact CD1-CZ 3.46Å; D63-R108 HydrophobicContact CB-CG 4.36Å; D63-R108 IonicContact OD1-NE 2.91Å; D63-R108 IonicContact OD1-NH2 3.25Å; D63-R108 IonicContact OD2-CZ 2.7Å; D63-R108 IonicContact OD2-NE 2.63Å; D63-R108 PolarHBondContact OD2-NE 3.13Å; D63-R108 IonicContact OD2-NH2 3.85Å; D63-R108 PolarHBondContact OD2-NH2 3.19Å; T106-R108 PolarHBondContact OG1-N 2.81Å; T106-R108 VanDerWaalsContact OG1-N 3.08Å; R108-I113 HydrophobicContact CB-CD1 3.81Å; R108-I113 HydrophobicContact CB-CG1 4.09Å; R108-I113 HydrophobicContact CG-CD1 4.38Å
109S93.5Very high94.5Very high52 Ų5250.6 Ų50.636%0.36427%0.274SS..  trans-64.5150.6173.981.90000111.2D111 D112 I113S109-D111 PolarHBondContact O-N 2.96Å; S109-D112 PolarHBondContact O-N 3.11Å; S109-D112 WeakPolarHBondContact OG-CB 3.31Å; S109-D112 PolarHBondContact OG-N 3.42Å; S109-D112 PolarHBondContact OG-OD2 3.47Å; S109-I113 WeakPolarHBondContact O-CG1 3.26Å; S109-I113 PolarHBondContact O-N 3.13Å
110A92.3Very high94.7Very high15 Ų1549.5 Ų49.512%0.12425%0.252CS..Hα-helixtrans-60.8-37179.100000111.6I113 V114 L226A110-I113 PolarHBondContact O-N 3.25Å; A110-V114 WeakPolarHBondContact O-CB 3.44Å; A110-V114 WeakPolarHBondContact O-CG2 3.3Å; A110-V114 PolarHBondContact O-N 2.87Å; A110-L226 HydrophobicContact CB-CD1 3.63Å; A110-L226 HydrophobicContact CB-CD2 4.39Å
111D94.2Very high95Very high124 Ų12446 Ų4666%0.66324%0.243SC*.Hα-helixtrans-69.4-39.3-177-63.5-28.1000111.6S109 I113 V114 S115S109-D111 PolarHBondContact O-N 2.96Å; D111-I113 VanDerWaalsContact C-N 3.32Å; D111-I113 PolarHBondContact O-N 3.03Å; D111-V114 PolarHBondContact O-N 3.12Å; D111-S115 WeakPolarHBondContact O-CB 3.42Å; D111-S115 PolarHBondContact O-N 3.14Å
112D94.4Very high95Very high91 Ų9150.9 Ų50.949%0.48726%0.26SS..Hα-helixtrans-60.9-43.3174.5-66.8-35.9000111.3S109 Y116S109-D112 PolarHBondContact O-N 3.11Å; S109-D112 WeakPolarHBondContact OG-CB 3.31Å; S109-D112 PolarHBondContact OG-N 3.42Å; S109-D112 PolarHBondContact OG-OD2 3.47Å; D112-Y116 VanDerWaalsContact O-CB 3.31Å; D112-Y116 WeakPolarHBondContact O-CB 3.45Å; D112-Y116 PolarHBondContact O-N 3.41Å
113I94.2Very high94.8Very high0 Ų054.6 Ų54.60%028%0.284CS..Hα-helixtrans-68.9-44.8180-58.2-56.9000111.3I41 F60 M104 T106 R108 S109 A110 D111 S115 Y116 F117 L223I41-I113 HydrophobicContact CD1-CB 3.96Å; I41-I113 HydrophobicContact CD1-CG1 3.96Å; I41-I113 HydrophobicContact CD1-CG2 3.38Å; F60-I113 HydrophobicContact CD1-CD1 4.33Å; F60-I113 HydrophobicContact CE1-CD1 3.58Å; F60-I113 HydrophobicContact CZ-CD1 4.03Å; M104-I113 HydrophobicContact CE-CD1 3.47Å; M104-I113 VanDerWaalsContact CE-CD1 3.47Å; M104-I113 HydrophobicContact CE-CG1 4.49Å; M104-I113 HydrophobicContact SD-CD1 4.43Å; M104-I113 HydrophobicContact SD-CG2 4.38Å; T106-I113 HydrophobicContact CG2-CD1 4.27Å; T106-I113 HydrophobicContact CG2-CG1 4.06Å; R108-I113 HydrophobicContact CB-CD1 3.81Å; R108-I113 HydrophobicContact CB-CG1 4.09Å; R108-I113 HydrophobicContact CG-CD1 4.38Å; S109-I113 WeakPolarHBondContact O-CG1 3.26Å; S109-I113 PolarHBondContact O-N 3.13Å; A110-I113 PolarHBondContact O-N 3.25Å; D111-I113 VanDerWaalsContact C-N 3.32Å; D111-I113 PolarHBondContact O-N 3.03Å; I113-S115 VanDerWaalsContact C-N 3.32Å; I113-S115 PolarHBondContact O-N 3.39Å; I113-Y116 PolarHBondContact O-N 2.94Å; I113-F117 HydrophobicContact CG2-CD2 3.59Å; I113-F117 HydrophobicContact CG2-CE2 3.59Å; I113-F117 HydrophobicContact CG2-CG 4.46Å; I113-F117 HydrophobicContact CG2-CZ 4.46Å; I113-F117 WeakPolarHBondContact O-CB 3.36Å; I113-F117 VanDerWaalsContact O-CD2 3.25Å; I113-F117 WeakPolarHBondContact O-CD2 3.28Å; I113-F117 PolarHBondContact O-N 3.4Å; I113-L223 HydrophobicContact CG2-CD1 3.95Å
114V94.6Very high94.5Very high39 Ų3955.1 Ų55.124%0.23629%0.287CS..Hα-helixtrans-60.6-45.3177.7171.70000110.5A110 D111 K118 L223 F237A110-V114 WeakPolarHBondContact O-CB 3.44Å; A110-V114 WeakPolarHBondContact O-CG2 3.3Å; A110-V114 PolarHBondContact O-N 2.87Å; D111-V114 PolarHBondContact O-N 3.12Å; V114-K118 VanDerWaalsContact O-CB 3.26Å; V114-K118 WeakPolarHBondContact O-CB 3.31Å; V114-K118 PolarHBondContact O-N 2.77Å; V114-L223 HydrophobicContact CG2-CD1 4.06Å; V114-F237 HydrophobicContact CB-CE1 4.27Å; V114-F237 HydrophobicContact CG1-CD1 4.32Å; V114-F237 HydrophobicContact CG1-CE1 3.93Å; V114-F237 HydrophobicContact CG2-CD1 4.08Å; V114-F237 HydrophobicContact CG2-CE1 3.26Å; V114-F237 HydrophobicContact CG2-CE2 4.32Å; V114-F237 HydrophobicContact CG2-CZ 3.39Å
115S95.6Very high94.1Very high59 Ų5956.6 Ų56.641%0.41329%0.292SS..Hα-helixtrans-60.2-48.4176-176.90000111.4D111 I113 K118 N119D111-S115 WeakPolarHBondContact O-CB 3.42Å; D111-S115 PolarHBondContact O-N 3.14Å; I113-S115 VanDerWaalsContact C-N 3.32Å; I113-S115 PolarHBondContact O-N 3.39Å; S115-K118 PolarHBondContact O-N 2.83Å; S115-N119 WeakPolarHBondContact O-CB 3.5Å; S115-N119 VanDerWaalsContact O-CG 3.32Å; S115-N119 PolarHBondContact O-N 3.28Å; S115-N119 VanDerWaalsContact O-N 3.09Å; S115-N119 PolarHBondContact O-ND2 3.19Å; S115-N119 PolarHBondContact OG-ND2 3.48Å
116Y95.8Very high93.7Very high36 Ų3656.6 Ų56.614%0.14129%0.293CS..Hα-helixtrans-61.4-49.2179.1-175-87.3000112.1V56 H59 F60 D112 I113 K118 N119 Y120V56-Y116 HydrophobicContact CG1-CE1 4.32Å; H59-Y116 AromaticContact CD2-CE2 3.87Å; H59-Y116 AromaticContact CE1-CD2 3.36Å; H59-Y116 WeakPolarHBondContact CE1-CD2 3.18Å; H59-Y116 AromaticContact CE1-CE2 3.18Å; H59-Y116 WeakPolarHBondContact CE1-CE2 3.32Å; H59-Y116 AromaticContact CE1-CZ 3.98Å; H59-Y116 AromaticContact CG-CE2 3.7Å; H59-Y116 AromaticContact CG-CZ 3.96Å; H59-Y116 AromaticContact ND1-CD2 3.83Å; H59-Y116 AromaticContact ND1-CE2 3.29Å; H59-Y116 VanDerWaalsContact ND1-CE2 3.29Å; H59-Y116 WeakPolarHBondContact ND1-CE2 3.47Å; H59-Y116 AromaticContact ND1-CZ 3.61Å; H59-Y116 AromaticContact NE2-CD2 3.92Å; H59-Y116 AromaticContact NE2-CE2 3.56Å; F60-Y116 AromaticContact CE2-CD1 3.54Å; F60-Y116 HydrophobicContact CE2-CD1 3.54Å; F60-Y116 HydrophobicContact CE2-CD2 4.45Å; F60-Y116 AromaticContact CE2-CE1 3.4Å; F60-Y116 HydrophobicContact CE2-CE1 3.4Å; F60-Y116 HydrophobicContact CE2-CE2 4.32Å; F60-Y116 HydrophobicContact CE2-CG 4.07Å; F60-Y116 AromaticContact CE2-CZ 3.79Å; F60-Y116 AromaticContact CZ-CD1 3.46Å; F60-Y116 HydrophobicContact CZ-CD1 3.46Å; F60-Y116 VanDerWaalsContact CZ-CD1 3.46Å; F60-Y116 AromaticContact CZ-CD2 3.99Å; F60-Y116 HydrophobicContact CZ-CD2 3.99Å; F60-Y116 AromaticContact CZ-CE1 3.8Å; F60-Y116 HydrophobicContact CZ-CE1 3.8Å; F60-Y116 HydrophobicContact CZ-CE2 4.27Å; F60-Y116 AromaticContact CZ-CG 3.55Å; F60-Y116 HydrophobicContact CZ-CG 3.55Å; D112-Y116 VanDerWaalsContact O-CB 3.31Å; D112-Y116 WeakPolarHBondContact O-CB 3.45Å; D112-Y116 PolarHBondContact O-N 3.41Å; I113-Y116 PolarHBondContact O-N 2.94Å; Y116-K118 VanDerWaalsContact C-N 3.27Å; Y116-K118 PolarHBondContact O-N 2.95Å; Y116-N119 PolarHBondContact O-N 2.87Å; Y116-Y120 HydrophobicContact CE1-CD1 4.37Å; Y116-Y120 HydrophobicContact CE1-CD2 4.12Å; Y116-Y120 AromaticContact CE1-CG 3.8Å; Y116-Y120 HydrophobicContact CE1-CG 3.8Å; Y116-Y120 HydrophobicContact CE2-CD2 4.12Å; Y116-Y120 AromaticContact CZ-CD2 3.6Å; Y116-Y120 AromaticContact CZ-CG 3.79Å; Y116-Y120 WeakPolarHBondContact O-CB 3.39Å; Y116-Y120 PolarHBondContact O-N 3.44Å; Y116-Y120 VanDerWaalsContact OH-CD2 3.32Å; Y116-Y120 WeakPolarHBondContact OH-CD2 3.18Å; Y116-Y120 WeakPolarHBondContact OH-CE2 3.29Å
117F94.5Very high93.4Very high5 Ų562.4 Ų62.42%0.02231%0.314CS..Hα-helixtrans-64.3-33.7-178.8-86.3-120.4000112.2F43 M104 I113 L221 L223F43-F117 HydrophobicContact CB-CD1 4.36Å; F43-F117 HydrophobicContact CB-CE1 3.57Å; F43-F117 HydrophobicContact CB-CZ 4.45Å; F43-F117 HydrophobicContact CD1-CE1 4.28Å; F43-F117 HydrophobicContact CD1-CZ 4.4Å; F43-F117 HydrophobicContact CD2-CE1 4.16Å; F43-F117 AromaticContact CG-CE1 3.76Å; F43-F117 HydrophobicContact CG-CE1 3.76Å; F43-F117 HydrophobicContact CG-CZ 4.3Å; M104-F117 HydrophobicContact SD-CE2 3.68Å; M104-F117 HydrophobicContact SD-CZ 3.74Å; I113-F117 HydrophobicContact CG2-CD2 3.59Å; I113-F117 HydrophobicContact CG2-CE2 3.59Å; I113-F117 HydrophobicContact CG2-CG 4.46Å; I113-F117 HydrophobicContact CG2-CZ 4.46Å; I113-F117 WeakPolarHBondContact O-CB 3.36Å; I113-F117 VanDerWaalsContact O-CD2 3.25Å; I113-F117 WeakPolarHBondContact O-CD2 3.28Å; I113-F117 PolarHBondContact O-N 3.4Å; F117-L221 HydrophobicContact CD1-CB 3.57Å; F117-L221 HydrophobicContact CD1-CD1 4.31Å; F117-L221 HydrophobicContact CE1-CB 3.83Å; F117-L221 HydrophobicContact CE1-CD1 4.06Å; F117-L221 HydrophobicContact CE1-CG 4.45Å; F117-L221 HydrophobicContact CE2-CD1 4.37Å; F117-L221 HydrophobicContact CG-CB 4.21Å; F117-L221 HydrophobicContact CZ-CD1 4.11Å; F117-L223 HydrophobicContact CB-CB 4.28Å; F117-L223 HydrophobicContact CD1-CB 3.9Å; F117-L223 HydrophobicContact CG-CB 4.3Å; F117-L223 HydrophobicContact CG-CD1 4.43Å
118K93.7Very high93.3Very high156 Ų15660.3 Ų60.368%0.67831%0.312SS*.Hα-helixtrans-67.6-42.1176.9-174.6179.8179.3-176.20112V114 S115 Y116V114-K118 VanDerWaalsContact O-CB 3.26Å; V114-K118 WeakPolarHBondContact O-CB 3.31Å; V114-K118 PolarHBondContact O-N 2.77Å; S115-K118 PolarHBondContact O-N 2.83Å; Y116-K118 VanDerWaalsContact C-N 3.27Å; Y116-K118 PolarHBondContact O-N 2.95Å
119N95.3Very high93.2Very high111 Ų11159.4 Ų59.459%0.59432%0.323SS*.Hα-helixtrans-94.6-28.2-169.5-63.6-33.2000113.4S115 Y116 S121S115-N119 WeakPolarHBondContact O-CB 3.5Å; S115-N119 VanDerWaalsContact O-CG 3.32Å; S115-N119 PolarHBondContact O-N 3.28Å; S115-N119 VanDerWaalsContact O-N 3.09Å; S115-N119 PolarHBondContact O-ND2 3.19Å; S115-N119 PolarHBondContact OG-ND2 3.48Å; Y116-N119 PolarHBondContact O-N 2.87Å; N119-S121 PolarHBondContact O-N 3.36Å
120Y94.4Very high93.2Very high32 Ų3258.9 Ų58.913%0.12532%0.316CS..  trans-74.1118.7-178.3-172.2-90.9000111.3E55 V56 Y116 R122 F219E55-Y120 PolarHBondContact OE2-OH 3.22Å; E55-Y120 VanDerWaalsContact OE2-OH 3.13Å; V56-Y120 HydrophobicContact CG2-CD1 3.99Å; V56-Y120 HydrophobicContact CG2-CE1 3.46Å; V56-Y120 VanDerWaalsContact CG2-CE1 3.46Å; Y116-Y120 HydrophobicContact CE1-CD1 4.37Å; Y116-Y120 HydrophobicContact CE1-CD2 4.12Å; Y116-Y120 AromaticContact CE1-CG 3.8Å; Y116-Y120 HydrophobicContact CE1-CG 3.8Å; Y116-Y120 HydrophobicContact CE2-CD2 4.12Å; Y116-Y120 AromaticContact CZ-CD2 3.6Å; Y116-Y120 AromaticContact CZ-CG 3.79Å; Y116-Y120 WeakPolarHBondContact O-CB 3.39Å; Y116-Y120 PolarHBondContact O-N 3.44Å; Y116-Y120 VanDerWaalsContact OH-CD2 3.32Å; Y116-Y120 WeakPolarHBondContact OH-CD2 3.18Å; Y116-Y120 WeakPolarHBondContact OH-CE2 3.29Å; Y120-R122 HydrophobicContact CE1-CG 4.09Å; Y120-R122 WeakPolarHBondContact OH-CG 3.27Å; Y120-F219 HydrophobicContact CD1-CD1 4.48Å; Y120-F219 HydrophobicContact CD1-CE1 4.23Å; Y120-F219 AromaticContact CE1-CD1 3.9Å; Y120-F219 HydrophobicContact CE1-CD1 3.9Å; Y120-F219 AromaticContact CE1-CE1 3.69Å; Y120-F219 HydrophobicContact CE1-CE1 3.69Å
121S94Very high93.3Very high61 Ų6161.8 Ų61.843%0.42733%0.332SS..EExtended strand (participates in β ladder)trans-148.5155.3168.3650000110.3N119 F219N119-S121 PolarHBondContact O-N 3.36Å; S121-F219 CarbonylContact C-O 3.56Å; S121-F219 VanDerWaalsContact CA-O 3.23Å; S121-F219 WeakPolarHBondContact CA-O 3.32Å; S121-F219 WeakPolarHBondContact CB-O 3.31Å
122R93Very high93.1Very high111 Ų11156 Ų5642%0.41930%0.302SS..EExtended strand (participates in β ladder)trans-133.8133.4177.3-72.6-65.2-154.4-174.80.4110.6E55 Y120 T218 F219E55-R122 IonicContact OE2-CZ 2.78Å; E55-R122 VanDerWaalsContact OE2-CZ 3.3Å; E55-R122 IonicContact OE2-NE 3.86Å; E55-R122 PolarHBondContact OE2-NE 2.96Å; E55-R122 IonicContact OE2-NH2 3.88Å; E55-R122 PolarHBondContact OE2-NH2 3.17Å; Y120-R122 HydrophobicContact CE1-CG 4.09Å; Y120-R122 WeakPolarHBondContact OH-CG 3.27Å; R122-T218 CarbonylContact O-C 3.07Å; R122-T218 WeakPolarHBondContact O-CA 3.45Å; R122-F219 HydrophobicContact CB-CB 4.24Å; R122-F219 HydrophobicContact CB-CD1 4.48Å; R122-F219 PolarHBondContact N-O 2.73Å; R122-F219 PolarHBondContact O-N 3.13Å
123P90.9Very high93Very high78 Ų7855.4 Ų55.451%0.50630%0.301SS..EExtended strand (participates in β ladder)trans-60.3138.6167.3-21.233000110.3K215P123-K215 HydrophobicContact CB-CB 3.84Å; P123-K215 HydrophobicContact CB-CD 3.8Å; P123-K215 HydrophobicContact CB-CG 4.47Å; P123-K215 WeakPolarHBondContact O-CD 3.44Å
124E90.6Very high92.8Very high13 Ų1360.2 Ų60.26%0.06132%0.319CS..EExtended strand (participates in β ladder)trans-137.3156176.5-125.5-41-6700111.8R49 K215 L216 A217R49-E124 VanDerWaalsContact CD-CD 3.48Å; R49-E124 VanDerWaalsContact CD-OE1 3.32Å; R49-E124 WeakPolarHBondContact CD-OE1 3.14Å; R49-E124 HydrophobicContact CG-CG 4.45Å; R49-E124 IonicContact CZ-OE1 2.79Å; R49-E124 IonicContact NE-OE1 3.14Å; R49-E124 PolarHBondContact NE-OE1 2.88Å; R49-E124 IonicContact NH1-OE1 3.3Å; R49-E124 PolarHBondContact NH1-OE1 3.44Å; R49-E124 IonicContact NH2-OE1 3.66Å; R49-E124 PolarHBondContact NH2-OE1 2.99Å; E124-K215 CarbonylContact O-C 3.45Å; E124-K215 VanDerWaalsContact O-C 3.27Å; E124-K215 WeakPolarHBondContact O-CA 3.32Å; E124-K215 WeakPolarHBondContact O-CB 3.45Å; E124-L216 PolarHBondContact O-N 2.86Å; E124-A217 HydrophobicContact CB-CB 4.35Å; E124-A217 PolarHBondContact N-O 3.04Å; E124-A217 CarbonylContact O-C 3.53Å; E124-A217 WeakPolarHBondContact O-CA 3.44Å; E124-A217 WeakPolarHBondContact O-CB 3.39Å; E124-A217 PolarHBondContact O-N 2.9Å; E124-A217 VanDerWaalsContact O-O 3.08Å
125Y89.8Confident92.5Very high30 Ų3062 Ų6212%0.11833%0.331CS..  trans-64.9134.2168.4-51.1-73.3000110.6R49 V192 R193 D213 K215R49-Y125 PolarHBondContact NH2-O 2.85Å; Y125-V192 HydrophobicContact CD1-CG2 4.45Å; Y125-V192 HydrophobicContact CG-CB 4.49Å; Y125-V192 HydrophobicContact CG-CG2 4.04Å; Y125-R193 HydrophobicContact CE1-CB 4.04Å; Y125-R193 WeakPolarHBondContact OH-CB 3.19Å; Y125-D213 VanDerWaalsContact CE1-OD1 3.27Å; Y125-D213 WeakPolarHBondContact CE1-OD1 3.45Å; Y125-D213 VanDerWaalsContact CZ-OD1 3.24Å; Y125-D213 PolarHBondContact OH-OD1 3.3Å; Y125-K215 HydrophobicContact CD1-CG 3.91Å; Y125-K215 HydrophobicContact CE1-CG 3.87Å; Y125-K215 HydrophobicContact CG-CG 4.39Å
126A89.6Confident92.1Very high1 Ų159.5 Ų59.51%0.00831%0.313CS..  trans-67.7153.1174.400000111.6N130 L183 L216 A217A126-N130 HydrophobicContact CB-CB 3.96Å; A126-L183 HydrophobicContact CB-CD1 3.35Å; A126-L216 HydrophobicContact CB-CB 3.91Å; A126-A217 HydrophobicContact CB-CB 4.33Å
127R91.3Very high91.7Very high121 Ų12160.9 Ų60.946%0.45733%0.328SS..  trans-107.9167.5171.3-61.3-178.6-174.1163.67.7108.8M48 R49 G129 N130M48-R127 PolarHBondContact O-NH2 3.13Å; M48-R127 VanDerWaalsContact O-NH2 3.08Å; R49-R127 VanDerWaalsContact CG-NH2 3.27Å; R127-G129 PolarHBondContact O-N 2.85Å; R127-N130 PolarHBondContact N-OD1 3.31Å; R127-N130 VanDerWaalsContact O-CB 3.32Å; R127-N130 WeakPolarHBondContact O-CB 3.48Å; R127-N130 PolarHBondContact O-N 2.83Å; R127-N130 PolarHBondContact O-OD1 3.4Å
128S92.8Very high91.2Very high65 Ų6560.8 Ų60.846%0.45533%0.328SS..THydrogen-bonded Turntrans-52.4138.7170.2-175.50000111N130 L183 P185S128-N130 VanDerWaalsContact C-N 3.26Å; S128-N130 PolarHBondContact O-N 3.45Å; S128-L183 CarbonylContact C-O 3.58Å; S128-L183 WeakPolarHBondContact CA-O 3.36Å; S128-L183 PolarHBondContact OG-O 2.48Å; S128-P185 WeakPolarHBondContact OG-CD 3.48Å; S128-P185 WeakPolarHBondContact OG-CG 3.23Å
129G92.8Very high90.9Very high47 Ų4758.8 Ų58.849%0.48532%0.324SS..THydrogen-bonded Turntrans83.4-12.6-177.600000114.7R127 L183R127-G129 PolarHBondContact O-N 2.85Å; G129-L183 PolarHBondContact N-O 3.35Å
130N93.8Very high90.6Very high42 Ų4255.8 Ų55.823%0.22532%0.315CS..PPolyproline II helixtrans-66.9152167.8-71.9138.8000110.5A126 R127 S128 L183A126-N130 HydrophobicContact CB-CB 3.96Å; R127-N130 PolarHBondContact N-OD1 3.31Å; R127-N130 VanDerWaalsContact O-CB 3.32Å; R127-N130 WeakPolarHBondContact O-CB 3.48Å; R127-N130 PolarHBondContact O-N 2.83Å; R127-N130 PolarHBondContact O-OD1 3.4Å; S128-N130 VanDerWaalsContact C-N 3.26Å; S128-N130 PolarHBondContact O-N 3.45Å; N130-L183 PolarHBondContact O-N 2.79Å
131V94.1Very high90.3Very high76 Ų7655.2 Ų55.246%0.46132%0.319SS..BIsolated β-bridgetrans-89.8128.7175.8176.30000109T133 D181 K182V131-T133 PolarHBondContact O-N 3.39Å; V131-D181 CarbonylContact C-O 3.58Å; V131-D181 VanDerWaalsContact CA-O 3.32Å; V131-D181 WeakPolarHBondContact CA-O 3.48Å; V131-K182 HydrophobicContact CG2-CG 4.27Å
132A90.9Very high89.9Confident2 Ų256.1 Ų56.12%0.01732%0.324CS..PPolyproline II helixtrans-63.6121.6176.800000110.7R134 C177 K178 G180 D181 L183 L216A132-R134 VanDerWaalsContact C-N 3.32Å; A132-C177 HydrophobicContact CB-CB 4.3Å; A132-K178 WeakPolarHBondContact CB-O 3.39Å; A132-G180 PolarHBondContact O-N 3.48Å; A132-D181 PolarHBondContact N-O 2.84Å; A132-L183 HydrophobicContact CB-CD2 4.12Å; A132-L183 HydrophobicContact CB-CG 4.45Å; A132-L216 HydrophobicContact CB-CD1 4.08Å
133T92.2Very high89.4Confident78 Ų7851.9 Ų51.948%0.47931%0.309SS..SBendtrans-77.6-19.1-179.351.80000113.2V131 K179 L216V131-T133 PolarHBondContact O-N 3.39Å; T133-K179 WeakPolarHBondContact O-CE 3.48Å; T133-K179 WeakPolarHBondContact O-CG 3.4Å; T133-L216 WeakPolarHBondContact CG2-O 3.49Å
134R89.8Confident88.6Confident101 Ų10153.4 Ų53.438%0.38131%0.31SS..SBendtrans-151.3162.1174.755.3-171151.291.26.7110.6A132 E214 L216A132-R134 VanDerWaalsContact C-N 3.32Å; R134-E214 IonicContact CZ-OE2 2.73Å; R134-E214 IonicContact NH1-OE1 2.83Å; R134-E214 PolarHBondContact NH1-OE1 3.08Å; R134-E214 IonicContact NH1-OE2 3.4Å; R134-E214 PolarHBondContact NH1-OE2 2.95Å; R134-E214 IonicContact NH2-OE2 2.59Å; R134-E214 PolarHBondContact NH2-OE2 3.29Å; R134-L216 HydrophobicContact CG-CD2 3.65Å
135T88.6Confident87.8Confident77 Ų7753.7 Ų53.747%0.47231%0.312SS..  trans-72136.9172.3-59.40000109.2T175 C177 K178 K179T135-T175 HydrophobicContact CG2-CG2 4.08Å; T135-C177 CarbonylContact C-O 3.57Å; T135-C177 VanDerWaalsContact CA-O 3.28Å; T135-C177 WeakPolarHBondContact CA-O 3.47Å; T135-C177 WeakPolarHBondContact CG2-O 3.5Å; T135-K178 HydrophobicContact CG2-CG 4.44Å; T135-K178 WeakPolarHBondContact OG1-CA 3.17Å; T135-K179 PolarHBondContact OG1-N 3.1Å
136V87.5Confident87.3Confident6 Ų652.8 Ų52.84%0.03631%0.309CS..EExtended strand (participates in β ladder)trans-124.6123174.8-179.30000107.9V176 C177 L191 E214 L216V136-V176 PolarHBondContact O-N 3.03Å; V136-C177 PolarHBondContact N-O 2.95Å; V136-C177 PolarHBondContact O-N 3.34Å; V136-L191 HydrophobicContact CB-CD2 3.94Å; V136-L191 HydrophobicContact CG1-CD2 3.72Å; V136-L191 HydrophobicContact CG2-CD2 3.95Å; V136-E214 HydrophobicContact CG1-CG 4.12Å; V136-E214 HydrophobicContact CG2-CG 4.39Å; V136-L216 HydrophobicContact CG2-CD1 4.06Å; V136-L216 HydrophobicContact CG2-CD2 4.2Å
137S86.9Confident87Confident65 Ų6554.8 Ų54.846%0.45532%0.322SS..EExtended strand (participates in β ladder)trans-128.7156.3176.151.40000110.3H174S137-H174 CarbonylContact C-O 3.55Å; S137-H174 WeakPolarHBondContact CA-O 3.36Å
138V84.4Confident86.7Confident4 Ų455.3 Ų55.32%0.02433%0.328CS..EExtended strand (participates in β ladder)trans-124.3128.3178.6-173.30000108.3L170 D173 H174 V176 I211V138-L170 HydrophobicContact CB-CD2 3.88Å; V138-L170 HydrophobicContact CG1-CD2 3.58Å; V138-D173 CarbonylContact O-C 3.54Å; V138-D173 VanDerWaalsContact O-CA 3.31Å; V138-D173 WeakPolarHBondContact O-CA 3.47Å; V138-H174 PolarHBondContact N-O 2.83Å; V138-H174 PolarHBondContact O-N 3.31Å; V138-V176 HydrophobicContact CG2-CG2 4.01Å; V138-I211 HydrophobicContact CB-CG1 4.41Å; V138-I211 HydrophobicContact CB-CG2 4.47Å; V138-I211 HydrophobicContact CG1-CD1 3.35Å; V138-I211 HydrophobicContact CG1-CG1 3.72Å; V138-I211 HydrophobicContact CG1-CG2 4.18Å; V138-I211 HydrophobicContact CG2-CB 4.33Å; V138-I211 HydrophobicContact CG2-CG1 4.06Å; V138-I211 HydrophobicContact CG2-CG2 3.44Å; V138-I211 VanDerWaalsContact CG2-CG2 3.44Å
139D85.7Confident86.4Confident113 Ų11357 Ų5760%0.60433%0.332SS*.  trans-78.5148.6-179.2-58.9-16.5000111.1L170D139-L170 WeakPolarHBondContact O-CD2 3.29Å
140A88.9Confident86.1Confident48 Ų4857 Ų5740%0.39732%0.319SS..SBendtrans-58.7142.8175.400000111D173A140-D173 WeakPolarHBondContact CB-OD1 3.41Å; A140-D173 PolarHBondContact N-OD1 2.95Å
141G88.1Confident85.9Confident21 Ų2155.3 Ų55.322%0.21631%0.311CS..EExtended strand (participates in β ladder)trans143.6179.6176.500000115L143 I169 L170G141-L143 PolarHBondContact O-N 3.48Å; G141-I169 WeakPolarHBondContact O-CA 3.29Å; G141-L170 PolarHBondContact N-O 2.81Å; G141-L170 PolarHBondContact O-N 2.94Å
142P86Confident85.7Confident80 Ų8055 Ų5552%0.51931%0.31SS..EExtended strand (participates in β ladder)trans-71.9123.2-178.729.3-33.6000112M144 I167 I169P142-M144 VanDerWaalsContact C-N 3.31Å; P142-M144 HydrophobicContact CB-CG 4.35Å; P142-M144 HydrophobicContact CB-SD 4.04Å; P142-M144 PolarHBondContact O-N 3.07Å; P142-M144 VanDerWaalsContact O-N 3.11Å; P142-I167 HydrophobicContact CB-CG2 3.83Å; P142-I169 HydrophobicContact CB-CG1 4.37Å
143L82.3Confident85.7Confident21 Ų2158.5 Ų58.511%0.1132%0.323CS..  trans-86.269.1174.1-57.3-179000110G141 Q145 I146 L154 V161 V168 I211G141-L143 PolarHBondContact O-N 3.48Å; L143-Q145 PolarHBondContact O-N 2.85Å; L143-I146 HydrophobicContact CB-CB 4.15Å; L143-I146 HydrophobicContact CB-CG1 3.77Å; L143-I146 HydrophobicContact CD1-CG1 4.26Å; L143-I146 PolarHBondContact O-N 3.38Å; L143-L154 HydrophobicContact CD1-CD1 4.37Å; L143-V161 HydrophobicContact CD1-CG1 4.02Å; L143-V168 HydrophobicContact CB-CB 4.39Å; L143-V168 HydrophobicContact CD1-CG1 4.23Å; L143-V168 PolarHBondContact N-O 3.39Å; L143-I211 HydrophobicContact CD2-CD1 4.03Å
144M74.8Confident85.5Confident110 Ų11054.8 Ų54.854%0.54230%0.3SS..THydrogen-bonded Turntrans-55-20.2-170.3-70.2-54.5-47.700116P142 I167P142-M144 VanDerWaalsContact C-N 3.31Å; P142-M144 HydrophobicContact CB-CG 4.35Å; P142-M144 HydrophobicContact CB-SD 4.04Å; P142-M144 PolarHBondContact O-N 3.07Å; P142-M144 VanDerWaalsContact O-N 3.11Å; M144-I167 HydrophobicContact CE-CD1 4.17Å; M144-I167 HydrophobicContact CE-CG1 4.39Å; M144-I167 HydrophobicContact SD-CD1 3.97Å; M144-I167 HydrophobicContact SD-CG1 4.35Å; M144-I167 HydrophobicContact SD-CG2 3.71Å
145Q73.9Confident85.7Confident19 Ų1956.1 Ų56.19%0.08931%0.305CS..THydrogen-bonded Turntrans-99.9-6.5-177.3-61-118.80.600113.4L143 L208L143-Q145 PolarHBondContact O-N 2.85Å; Q145-L208 HydrophobicContact CB-CD2 3.5Å; Q145-L208 HydrophobicContact CB-CG 4.37Å; Q145-L208 HydrophobicContact CG-CD1 4.11Å; Q145-L208 HydrophobicContact CG-CD2 3.29Å; Q145-L208 HydrophobicContact CG-CG 3.6Å
146I79.3Confident85.9Confident12 Ų1261.1 Ų61.16%0.06232%0.321CS..SBendtrans-85.9120.9174.7-59.2-58.5000107.7L143 M150 L154 V168 F196 F212L143-I146 HydrophobicContact CB-CB 4.15Å; L143-I146 HydrophobicContact CB-CG1 3.77Å; L143-I146 HydrophobicContact CD1-CG1 4.26Å; L143-I146 PolarHBondContact O-N 3.38Å; I146-M150 HydrophobicContact CG2-CB 3.79Å; I146-L154 HydrophobicContact CB-CD1 4.49Å; I146-L154 HydrophobicContact CG1-CD1 4.26Å; I146-L154 HydrophobicContact CG2-CD1 3.62Å; I146-V168 HydrophobicContact CB-CB 4.41Å; I146-V168 HydrophobicContact CB-CG2 4.35Å; I146-V168 HydrophobicContact CG2-CB 4.34Å; I146-V168 HydrophobicContact CG2-CG1 4.48Å; I146-V168 HydrophobicContact CG2-CG2 3.95Å; I146-F196 HydrophobicContact CD1-CB 3.89Å; I146-F196 HydrophobicContact CD1-CD1 3.79Å; I146-F196 HydrophobicContact CD1-CD2 3.23Å; I146-F196 HydrophobicContact CD1-CE1 4.05Å; I146-F196 HydrophobicContact CD1-CE2 3.49Å; I146-F196 VanDerWaalsContact CD1-CE2 3.49Å; I146-F196 HydrophobicContact CD1-CG 3.39Å; I146-F196 HydrophobicContact CD1-CZ 3.92Å; I146-F212 HydrophobicContact CD1-CD2 4.11Å; I146-F212 HydrophobicContact CD1-CE2 3.58Å; I146-F212 HydrophobicContact CD1-CZ 4Å; I146-F212 HydrophobicContact CG1-CE2 4.13Å
147P83.6Confident86Confident43 Ų4361.6 Ų61.628%0.27932%0.323SS..  trans-66.1143.5175.829-33.8000110N149 M150P147-N149 VanDerWaalsContact CB-OD1 3.3Å; P147-N149 WeakPolarHBondContact CB-OD1 3.48Å; P147-N149 WeakPolarHBondContact CG-OD1 3.28Å; P147-N149 PolarHBondContact O-N 2.77Å; P147-M150 HydrophobicContact CG-CB 4.39Å; P147-M150 HydrophobicContact CG-CG 3.7Å; P147-M150 WeakPolarHBondContact O-CB 3.4Å; P147-M150 PolarHBondContact O-N 2.91Å
148F85.1Confident86.2Confident131 Ų13160.7 Ų60.758%0.57532%0.324SS*.G310 helixtrans-53.3-31.6-173.264.1-91.6000114.1M150 E151 L163F148-M150 PolarHBondContact O-N 2.79Å; F148-E151 WeakPolarHBondContact O-CB 3.5Å; F148-E151 PolarHBondContact O-N 3.31Å; F148-L163 HydrophobicContact CB-CD1 3.59Å; F148-L163 HydrophobicContact CB-CD2 4.25Å
149N85.8Confident86.4Confident102 Ų10260.8 Ų60.855%0.54532%0.324SS..G310 helixtrans-69.8-14.8-179.769-31.2000113.7P147P147-N149 VanDerWaalsContact CB-OD1 3.3Å; P147-N149 WeakPolarHBondContact CB-OD1 3.48Å; P147-N149 WeakPolarHBondContact CG-OD1 3.28Å; P147-N149 PolarHBondContact O-N 2.77Å
150M86Confident86.8Confident45 Ų4556.5 Ų56.522%0.22230%0.302CS..G310 helixtrans-87.6-10.9177.7-68.3-61.6-6900112.9I146 P147 F148 Y153 L154 F196I146-M150 HydrophobicContact CG2-CB 3.79Å; P147-M150 HydrophobicContact CG-CB 4.39Å; P147-M150 HydrophobicContact CG-CG 3.7Å; P147-M150 WeakPolarHBondContact O-CB 3.4Å; P147-M150 PolarHBondContact O-N 2.91Å; F148-M150 PolarHBondContact O-N 2.79Å; M150-Y153 HydrophobicContact CE-CD1 3.38Å; M150-Y153 HydrophobicContact CE-CE1 3.92Å; M150-Y153 HydrophobicContact CE-CG 3.97Å; M150-Y153 WeakPolarHBondContact O-CB 3.47Å; M150-Y153 PolarHBondContact O-N 3.33Å; M150-L154 PolarHBondContact O-N 3.28Å; M150-F196 HydrophobicContact CB-CE1 4.27Å; M150-F196 HydrophobicContact CE-CE1 3.57Å; M150-F196 HydrophobicContact CE-CZ 4.09Å; M150-F196 HydrophobicContact CG-CD1 4.47Å; M150-F196 HydrophobicContact CG-CE1 3.92Å; M150-F196 HydrophobicContact SD-CE1 4.48Å
151E89.9Confident86.9Confident8 Ų854.5 Ų54.54%0.03729%0.286CS..Hα-helixtrans-53.9-48.5179.3-172.9-76.1144.700112.8F148 Y153 L154 R155 V161 L163 V168F148-E151 WeakPolarHBondContact O-CB 3.5Å; F148-E151 PolarHBondContact O-N 3.31Å; E151-Y153 VanDerWaalsContact C-N 3.25Å; E151-Y153 PolarHBondContact O-N 3.38Å; E151-L154 PolarHBondContact O-N 3.43Å; E151-R155 VanDerWaalsContact CD-CZ 3.48Å; E151-R155 PolarHBondContact O-N 2.85Å; E151-R155 IonicContact OE1-CZ 2.63Å; E151-R155 IonicContact OE1-NE 3.1Å; E151-R155 PolarHBondContact OE1-NE 2.84Å; E151-R155 VanDerWaalsContact OE1-NE 3.13Å; E151-R155 IonicContact OE1-NH1 2.86Å; E151-R155 IonicContact OE1-NH2 3.94Å; E151-R155 PolarHBondContact OE1-NH2 3.27Å; E151-R155 IonicContact OE2-CZ 2.72Å; E151-R155 VanDerWaalsContact OE2-CZ 3.25Å; E151-R155 IonicContact OE2-NH1 2.93Å; E151-R155 PolarHBondContact OE2-NH1 3.27Å; E151-R155 IonicContact OE2-NH2 2.95Å; E151-R155 PolarHBondContact OE2-NH2 2.81Å; E151-V161 HydrophobicContact CG-CB 4.39Å; E151-V161 HydrophobicContact CG-CG2 4.03Å; E151-L163 HydrophobicContact CG-CB 4.06Å; E151-V168 HydrophobicContact CB-CG1 4.13Å; E151-V168 HydrophobicContact CB-CG2 3.83Å; E151-V168 HydrophobicContact CG-CG1 3.95Å; E151-V168 HydrophobicContact CG-CG2 4.35Å
152P91.1Very high87.2Confident69 Ų6955.1 Ų55.145%0.44829%0.285SS..Hα-helixtrans-63.1-32.1178-23.134.9000113.2K156P152-K156 WeakPolarHBondContact O-CB 3.35Å; P152-K156 PolarHBondContact O-N 3.14Å
153Y89.5Confident87.5Confident75 Ų7554.7 Ų54.729%0.29428%0.278SS..Hα-helixtrans-68.8-46176.2173.4-103.5000111.3M150 E151 K156 L157M150-Y153 HydrophobicContact CE-CD1 3.38Å; M150-Y153 HydrophobicContact CE-CE1 3.92Å; M150-Y153 HydrophobicContact CE-CG 3.97Å; M150-Y153 WeakPolarHBondContact O-CB 3.47Å; M150-Y153 PolarHBondContact O-N 3.33Å; E151-Y153 VanDerWaalsContact C-N 3.25Å; E151-Y153 PolarHBondContact O-N 3.38Å; Y153-K156 WeakPolarHBondContact O-CB 3.35Å; Y153-K156 PolarHBondContact O-N 3.07Å; Y153-L157 HydrophobicContact CD1-CD1 4.09Å; Y153-L157 HydrophobicContact CE1-CD1 3.47Å; Y153-L157 VanDerWaalsContact CE1-CD1 3.47Å; Y153-L157 HydrophobicContact CE1-CG 4.24Å; Y153-L157 HydrophobicContact CE2-CD1 4.43Å; Y153-L157 HydrophobicContact CE2-CD2 4.45Å; Y153-L157 HydrophobicContact CE2-CG 4.44Å; Y153-L157 WeakPolarHBondContact O-CG 3.32Å; Y153-L157 PolarHBondContact O-N 2.83Å
154L89Confident88Confident0 Ų060.2 Ų60.20%030%0.297CS..Hα-helixtrans-63.5-42.1176.8-66.7-179.9000111.7L143 I146 M150 E151 K156 L157 G158 L159 V161 V168 F196 F212L143-L154 HydrophobicContact CD1-CD1 4.37Å; I146-L154 HydrophobicContact CB-CD1 4.49Å; I146-L154 HydrophobicContact CG1-CD1 4.26Å; I146-L154 HydrophobicContact CG2-CD1 3.62Å; M150-L154 PolarHBondContact O-N 3.28Å; E151-L154 PolarHBondContact O-N 3.43Å; L154-K156 VanDerWaalsContact C-N 3.29Å; L154-K156 PolarHBondContact O-N 3.03Å; L154-L157 WeakPolarHBondContact O-CB 3.49Å; L154-L157 PolarHBondContact O-N 2.94Å; L154-L157 VanDerWaalsContact O-N 3.07Å; L154-G158 PolarHBondContact O-N 3.15Å; L154-L159 HydrophobicContact CB-CB 4.39Å; L154-L159 HydrophobicContact CB-CD1 3.96Å; L154-L159 HydrophobicContact CD2-CD1 3.71Å; L154-L159 HydrophobicContact CG-CD1 4.27Å; L154-L159 PolarHBondContact O-N 2.87Å; L154-L159 VanDerWaalsContact O-N 3.16Å; L154-V161 HydrophobicContact CB-CG2 3.84Å; L154-V168 HydrophobicContact CD1-CG1 4.42Å; L154-F196 HydrophobicContact CD2-CZ 4.35Å; L154-F212 HydrophobicContact CD2-CE1 4.15Å; L154-F212 HydrophobicContact CD2-CZ 4.18Å
155R92.6Very high88.7Confident129 Ų12965.3 Ų65.349%0.48732%0.317SS..Hα-helixtrans-57.5-43173.3-167.4-168.7-61.5125.4-9.3111.4E151 L157 G158 V161E151-R155 VanDerWaalsContact CD-CZ 3.48Å; E151-R155 PolarHBondContact O-N 2.85Å; E151-R155 IonicContact OE1-CZ 2.63Å; E151-R155 IonicContact OE1-NE 3.1Å; E151-R155 PolarHBondContact OE1-NE 2.84Å; E151-R155 VanDerWaalsContact OE1-NE 3.13Å; E151-R155 IonicContact OE1-NH1 2.86Å; E151-R155 IonicContact OE1-NH2 3.94Å; E151-R155 PolarHBondContact OE1-NH2 3.27Å; E151-R155 IonicContact OE2-CZ 2.72Å; E151-R155 VanDerWaalsContact OE2-CZ 3.25Å; E151-R155 IonicContact OE2-NH1 2.93Å; E151-R155 PolarHBondContact OE2-NH1 3.27Å; E151-R155 IonicContact OE2-NH2 2.95Å; E151-R155 PolarHBondContact OE2-NH2 2.81Å; R155-L157 VanDerWaalsContact C-N 3.29Å; R155-L157 PolarHBondContact O-N 2.84Å; R155-G158 PolarHBondContact O-N 3.31Å; R155-V161 HydrophobicContact CB-CG2 4.04Å
156K92.9Very high89.3Confident183 Ų18366.6 Ų66.680%0.79633%0.334SS*.Hα-helixtrans-64.6-30.2176.4-175177.2-179176.10113.1P152 Y153 L154 G158P152-K156 WeakPolarHBondContact O-CB 3.35Å; P152-K156 PolarHBondContact O-N 3.14Å; Y153-K156 WeakPolarHBondContact O-CB 3.35Å; Y153-K156 PolarHBondContact O-N 3.07Å; L154-K156 VanDerWaalsContact C-N 3.29Å; L154-K156 PolarHBondContact O-N 3.03Å; K156-G158 PolarHBondContact O-N 3.18Å
157L90.4Very high89.7Confident15 Ų1568.9 Ų68.98%0.07935%0.346CS..THydrogen-bonded Turntrans-75.3-7.4173.3-65.2179.8000113.1Y153 L154 R155 E186 K189 I190Y153-L157 HydrophobicContact CD1-CD1 4.09Å; Y153-L157 HydrophobicContact CE1-CD1 3.47Å; Y153-L157 VanDerWaalsContact CE1-CD1 3.47Å; Y153-L157 HydrophobicContact CE1-CG 4.24Å; Y153-L157 HydrophobicContact CE2-CD1 4.43Å; Y153-L157 HydrophobicContact CE2-CD2 4.45Å; Y153-L157 HydrophobicContact CE2-CG 4.44Å; Y153-L157 WeakPolarHBondContact O-CG 3.32Å; Y153-L157 PolarHBondContact O-N 2.83Å; L154-L157 WeakPolarHBondContact O-CB 3.49Å; L154-L157 PolarHBondContact O-N 2.94Å; L154-L157 VanDerWaalsContact O-N 3.07Å; R155-L157 VanDerWaalsContact C-N 3.29Å; R155-L157 PolarHBondContact O-N 2.84Å; L157-E186 HydrophobicContact CD2-CB 4.29Å; L157-E186 HydrophobicContact CD2-CG 4.37Å; L157-K189 HydrophobicContact CD1-CB 4.12Å; L157-K189 HydrophobicContact CD2-CB 3.99Å; L157-K189 HydrophobicContact CD2-CD 3.79Å; L157-I190 HydrophobicContact CB-CD1 3.97Å; L157-I190 HydrophobicContact CB-CG1 3.81Å; L157-I190 HydrophobicContact CD1-CG1 3.83Å; L157-I190 HydrophobicContact CG-CG1 4.43Å
158G89.9Confident89.8Confident46 Ų4666.9 Ų66.947%0.47433%0.333SS..THydrogen-bonded Turntrans100.55.4177.700000114.8L154 R155 K156 H174L154-G158 PolarHBondContact O-N 3.15Å; R155-G158 PolarHBondContact O-N 3.31Å; K156-G158 PolarHBondContact O-N 3.18Å; G158-H174 PolarHBondContact O-CE1 2.81Å
159L90.6Very high90.1Very high6 Ų662.6 Ų62.63%0.03132%0.316CS..  trans-73.7133174-74.4157.9000110.3L154 V161 L170 I190L154-L159 HydrophobicContact CB-CB 4.39Å; L154-L159 HydrophobicContact CB-CD1 3.96Å; L154-L159 HydrophobicContact CD2-CD1 3.71Å; L154-L159 HydrophobicContact CG-CD1 4.27Å; L154-L159 PolarHBondContact O-N 2.87Å; L154-L159 VanDerWaalsContact O-N 3.16Å; L159-V161 HydrophobicContact CB-CG1 4.09Å; L159-V161 PolarHBondContact O-N 3.31Å; L159-L170 HydrophobicContact CB-CD1 4.32Å; L159-L170 HydrophobicContact CD2-CD1 4.12Å; L159-I190 HydrophobicContact CD1-CD1 4.2Å; L159-I190 HydrophobicContact CD1-CG1 4.09Å; L159-I190 HydrophobicContact CD1-CG2 4.18Å; L159-I190 HydrophobicContact CG-CD1 3.98Å; L159-I190 HydrophobicContact CG-CG1 4.43Å
160P93.4Very high90.3Very high23 Ų2357.8 Ų57.815%0.14929%0.29CS..  trans-76.666.3176.832.6-37.3000111.2L170 E171 R172 H174P160-L170 HydrophobicContact CG-CD1 3.79Å; P160-L170 HydrophobicContact CG-CG 4.26Å; P160-E171 PolarHBondContact O-N 2.89Å; P160-R172 HydrophobicContact CB-CG 4.2Å; P160-R172 HydrophobicContact CG-CG 3.94Å; P160-H174 WeakPolarHBondContact CD-ND1 3.16Å; P160-H174 HydrophobicContact CG-CB 3.99Å
161V91.3Very high90.6Very high7 Ų760.9 Ų60.94%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-99.9149.6-180-67.80000112.7L143 E151 L154 R155 L159 V168 I169 L170L143-V161 HydrophobicContact CD1-CG1 4.02Å; E151-V161 HydrophobicContact CG-CB 4.39Å; E151-V161 HydrophobicContact CG-CG2 4.03Å; L154-V161 HydrophobicContact CB-CG2 3.84Å; R155-V161 HydrophobicContact CB-CG2 4.04Å; L159-V161 HydrophobicContact CB-CG1 4.09Å; L159-V161 PolarHBondContact O-N 3.31Å; V161-V168 HydrophobicContact CB-CG1 3.9Å; V161-V168 HydrophobicContact CG1-CG1 3.97Å; V161-V168 HydrophobicContact CG2-CG1 4.5Å; V161-I169 CarbonylContact C-O 3.52Å; V161-I169 VanDerWaalsContact CA-O 3.25Å; V161-I169 WeakPolarHBondContact CA-O 3.32Å; V161-L170 HydrophobicContact CG1-CD1 3.66Å
162V93.6Very high90.6Very high33 Ų3368.8 Ų68.820%0.233%0.333CS..EExtended strand (participates in β ladder)trans-135.3146172.866.10000109.9R164 I169 E171V162-R164 HydrophobicContact CG1-CG 4.11Å; V162-R164 HydrophobicContact CG2-CG 4.27Å; V162-I169 HydrophobicContact CG1-CB 4.1Å; V162-I169 PolarHBondContact N-O 3.41Å; V162-I169 PolarHBondContact O-N 2.98Å; V162-E171 HydrophobicContact CB-CG 4.06Å; V162-E171 HydrophobicContact CG1-CG 3.5Å
163L92.8Very high90.5Very high72 Ų7270.8 Ų70.838%0.37734%0.34SS..EExtended strand (participates in β ladder)trans-93.9116.8173.5-170.368.5000109.9F148 E151 V168F148-L163 HydrophobicContact CB-CD1 3.59Å; F148-L163 HydrophobicContact CB-CD2 4.25Å; E151-L163 HydrophobicContact CG-CB 4.06Å; L163-V168 HydrophobicContact CD1-CG2 4.04Å
164R91.8Very high90.4Very high137 Ų13769.3 Ų69.352%0.51734%0.336SS..EExtended strand (participates in β ladder)trans-126.9124.6174.5-59.6-173.5-170.2176.93.6109.9V162 G166 I167 I169 E171V162-R164 HydrophobicContact CG1-CG 4.11Å; V162-R164 HydrophobicContact CG2-CG 4.27Å; R164-G166 PolarHBondContact O-N 2.98Å; R164-G166 VanDerWaalsContact O-N 3.17Å; R164-I167 PolarHBondContact N-O 3.42Å; R164-I167 PolarHBondContact O-N 3.09Å; R164-I169 HydrophobicContact CB-CD1 3.87Å; R164-I169 HydrophobicContact CG-CD1 4.21Å; R164-E171 IonicContact NH2-OE1 3.01Å; R164-E171 PolarHBondContact NH2-OE1 3.31Å
165K90.2Very high90.5Very high217 Ų21772.7 Ų72.794%0.94336%0.357SS*.THydrogen-bonded Turntrans50.138.5-178.7-59.2-178.2177.6-179.50113.4I167K165-I167 VanDerWaalsContact C-N 3.28Å; K165-I167 PolarHBondContact O-N 2.71Å
166G86.1Confident90.3Very high45 Ų4566.7 Ų66.746%0.46434%0.335SS..THydrogen-bonded Turntrans78.60.6-179.400000115.6R164R164-G166 PolarHBondContact O-N 2.98Å; R164-G166 VanDerWaalsContact O-N 3.17Å
167I87.5Confident90.2Very high60 Ų6058.1 Ų58.131%0.30830%0.298SS..EExtended strand (participates in β ladder)trans-105.1132177.4-58.6170.9000109.1P142 M144 R164 K165 I169P142-I167 HydrophobicContact CB-CG2 3.83Å; M144-I167 HydrophobicContact CE-CD1 4.17Å; M144-I167 HydrophobicContact CE-CG1 4.39Å; M144-I167 HydrophobicContact SD-CD1 3.97Å; M144-I167 HydrophobicContact SD-CG1 4.35Å; M144-I167 HydrophobicContact SD-CG2 3.71Å; R164-I167 PolarHBondContact N-O 3.42Å; R164-I167 PolarHBondContact O-N 3.09Å; K165-I167 VanDerWaalsContact C-N 3.28Å; K165-I167 PolarHBondContact O-N 2.71Å; I167-I169 HydrophobicContact CG2-CG1 4.24Å
168V86.7Confident90.3Very high1 Ų163.5 Ų63.51%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-77123.7172.7-173.50000108.4L143 I146 E151 L154 V161 L163L143-V168 HydrophobicContact CB-CB 4.39Å; L143-V168 HydrophobicContact CD1-CG1 4.23Å; L143-V168 PolarHBondContact N-O 3.39Å; I146-V168 HydrophobicContact CB-CB 4.41Å; I146-V168 HydrophobicContact CB-CG2 4.35Å; I146-V168 HydrophobicContact CG2-CB 4.34Å; I146-V168 HydrophobicContact CG2-CG1 4.48Å; I146-V168 HydrophobicContact CG2-CG2 3.95Å; E151-V168 HydrophobicContact CB-CG1 4.13Å; E151-V168 HydrophobicContact CB-CG2 3.83Å; E151-V168 HydrophobicContact CG-CG1 3.95Å; E151-V168 HydrophobicContact CG-CG2 4.35Å; L154-V168 HydrophobicContact CD1-CG1 4.42Å; V161-V168 HydrophobicContact CB-CG1 3.9Å; V161-V168 HydrophobicContact CG1-CG1 3.97Å; V161-V168 HydrophobicContact CG2-CG1 4.5Å; L163-V168 HydrophobicContact CD1-CG2 4.04Å
169I90.5Very high90.5Very high41 Ų4168.6 Ų68.621%0.2133%0.33CS..EExtended strand (participates in β ladder)trans-121129.6-177.9-58178.7000108.6G141 P142 V161 V162 R164 I167G141-I169 WeakPolarHBondContact O-CA 3.29Å; P142-I169 HydrophobicContact CB-CG1 4.37Å; V161-I169 CarbonylContact C-O 3.52Å; V161-I169 VanDerWaalsContact CA-O 3.25Å; V161-I169 WeakPolarHBondContact CA-O 3.32Å; V162-I169 HydrophobicContact CG1-CB 4.1Å; V162-I169 PolarHBondContact N-O 3.41Å; V162-I169 PolarHBondContact O-N 2.98Å; R164-I169 HydrophobicContact CB-CD1 3.87Å; R164-I169 HydrophobicContact CG-CD1 4.21Å; I167-I169 HydrophobicContact CG2-CG1 4.24Å
170L89.6Confident90.6Very high2 Ų270.6 Ų70.61%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-79.8117.4166.9-163.576000108.7V138 D139 G141 L159 P160 V161 R172 H174V138-L170 HydrophobicContact CB-CD2 3.88Å; V138-L170 HydrophobicContact CG1-CD2 3.58Å; D139-L170 WeakPolarHBondContact O-CD2 3.29Å; G141-L170 PolarHBondContact N-O 2.81Å; G141-L170 PolarHBondContact O-N 2.94Å; L159-L170 HydrophobicContact CB-CD1 4.32Å; L159-L170 HydrophobicContact CD2-CD1 4.12Å; P160-L170 HydrophobicContact CG-CD1 3.79Å; P160-L170 HydrophobicContact CG-CG 4.26Å; V161-L170 HydrophobicContact CG1-CD1 3.66Å; L170-R172 VanDerWaalsContact C-N 3.31Å; L170-R172 WeakPolarHBondContact CD2-O 3.36Å; L170-R172 WeakPolarHBondContact CG-O 3.35Å; L170-R172 PolarHBondContact O-N 2.72Å; L170-H174 HydrophobicContact CD2-CB 4.2Å
171E92.8Very high90.6Very high110 Ų11072.6 Ų72.651%0.51436%0.361SS..  trans-72.3-25.3-171.1-65.7-164.5124.500113.8P160 V162 R164P160-E171 PolarHBondContact O-N 2.89Å; V162-E171 HydrophobicContact CB-CG 4.06Å; V162-E171 HydrophobicContact CG1-CG 3.5Å; R164-E171 IonicContact NH2-OE1 3.01Å; R164-E171 PolarHBondContact NH2-OE1 3.31Å
172R91.1Very high90.8Very high173 Ų17380.1 Ų80.165%0.65339%0.393SS*.SBendtrans-153.4158-179.261.5-179.9178-179.7-0.9110.2P160 L170 H174P160-R172 HydrophobicContact CB-CG 4.2Å; P160-R172 HydrophobicContact CG-CG 3.94Å; L170-R172 VanDerWaalsContact C-N 3.31Å; L170-R172 WeakPolarHBondContact CD2-O 3.36Å; L170-R172 WeakPolarHBondContact CG-O 3.35Å; L170-R172 PolarHBondContact O-N 2.72Å; R172-H174 PolarHBondContact O-N 2.63Å
173D88.8Confident90.8Very high111 Ų11178.7 Ų78.759%0.59438%0.384SS*.  trans-54.3137.4172.9-58.5-6000109.8V138 A140V138-D173 CarbonylContact O-C 3.54Å; V138-D173 VanDerWaalsContact O-CA 3.31Å; V138-D173 WeakPolarHBondContact O-CA 3.47Å; A140-D173 WeakPolarHBondContact CB-OD1 3.41Å; A140-D173 PolarHBondContact N-OD1 2.95Å
174H87.8Confident90.8Very high44 Ų4478 Ų7820%0.20438%0.383CS..EExtended strand (participates in β ladder)trans-133.9118.3-175.1-173.877.2000110.7S137 V138 G158 P160 L170 R172 V176S137-H174 CarbonylContact C-O 3.55Å; S137-H174 WeakPolarHBondContact CA-O 3.36Å; V138-H174 PolarHBondContact N-O 2.83Å; V138-H174 PolarHBondContact O-N 3.31Å; G158-H174 PolarHBondContact O-CE1 2.81Å; P160-H174 WeakPolarHBondContact CD-ND1 3.16Å; P160-H174 HydrophobicContact CG-CB 3.99Å; L170-H174 HydrophobicContact CD2-CB 4.2Å; R172-H174 PolarHBondContact O-N 2.63Å; H174-V176 PolarHBondContact O-N 3.1Å
175T90Very high90.9Very high71 Ų7174.3 Ų74.344%0.43638%0.377SS..EExtended strand (participates in β ladder)trans-81.9113.4171-58.60000109.5T135 K178T135-T175 HydrophobicContact CG2-CG2 4.08Å; T175-K178 HydrophobicContact CG2-CG 4.05Å
176V89.2Confident90.9Very high4 Ų467.7 Ų67.72%0.02435%0.349CS..EExtended strand (participates in β ladder)trans-69.6-48.5177.4179.30000109.8V136 V138 H174 Q187 I190 L191V136-V176 PolarHBondContact O-N 3.03Å; V138-V176 HydrophobicContact CG2-CG2 4.01Å; H174-V176 PolarHBondContact O-N 3.1Å; V176-Q187 HydrophobicContact CG1-CB 4.17Å; V176-Q187 HydrophobicContact CG1-CG 4.22Å; V176-Q187 VanDerWaalsContact O-CD 3.32Å; V176-Q187 VanDerWaalsContact O-CG 3.31Å; V176-Q187 WeakPolarHBondContact O-CG 3.42Å; V176-Q187 PolarHBondContact O-NE2 2.91Å; V176-I190 HydrophobicContact CG1-CB 4.16Å; V176-I190 HydrophobicContact CG1-CD1 4.42Å; V176-I190 HydrophobicContact CG1-CG2 4Å; V176-I190 HydrophobicContact CG2-CG2 3.85Å; V176-L191 HydrophobicContact CG1-CD2 4.07Å; V176-L191 HydrophobicContact CG1-CG 4.14Å
177C89.7Confident91.1Very high2 Ų267.5 Ų67.51%0.01434%0.336CS..EExtended strand (participates in β ladder)trans-156.1152.8176.659.80000111.1A132 T135 V136 L183A132-C177 HydrophobicContact CB-CB 4.3Å; T135-C177 CarbonylContact C-O 3.57Å; T135-C177 VanDerWaalsContact CA-O 3.28Å; T135-C177 WeakPolarHBondContact CA-O 3.47Å; T135-C177 WeakPolarHBondContact CG2-O 3.5Å; V136-C177 PolarHBondContact N-O 2.95Å; V136-C177 PolarHBondContact O-N 3.34Å; C177-L183 HydrophobicContact CB-CD2 3.54Å
178K92.4Very high91.2Very high129 Ų12965 Ų6556%0.56132%0.324SS*.  trans-97153.6170.5-60.2-178.6-178.8-179.50110.7A132 T135 T175 G180 D181A132-K178 WeakPolarHBondContact CB-O 3.39Å; T135-K178 HydrophobicContact CG2-CG 4.44Å; T135-K178 WeakPolarHBondContact OG1-CA 3.17Å; T175-K178 HydrophobicContact CG2-CG 4.05Å; K178-G180 PolarHBondContact O-N 2.74Å; K178-D181 WeakPolarHBondContact CA-OD2 3.31Å; K178-D181 WeakPolarHBondContact CB-OD2 3.2Å; K178-D181 PolarHBondContact N-OD2 3.36Å; K178-D181 VanDerWaalsContact O-CB 3.29Å; K178-D181 WeakPolarHBondContact O-CB 3.22Å; K178-D181 VanDerWaalsContact O-CG 3.27Å; K178-D181 PolarHBondContact O-N 3.44Å
179K93.7Very high91.3Very high153 Ų15369.3 Ų69.367%0.66534%0.343SS*.THydrogen-bonded Turntrans-53128.4172.3-177.4175.8179.3-175.90110.3T133 T135T133-K179 WeakPolarHBondContact O-CE 3.48Å; T133-K179 WeakPolarHBondContact O-CG 3.4Å; T135-K179 PolarHBondContact OG1-N 3.1Å
180G93.9Very high91.1Very high47 Ų4767.5 Ų67.549%0.48533%0.334SS..THydrogen-bonded Turntrans94.3-12.4-17900000114.7A132 K178A132-G180 PolarHBondContact O-N 3.48Å; K178-G180 PolarHBondContact O-N 2.74Å
181D93.2Very high90.9Very high65 Ų6567.5 Ų67.535%0.34833%0.334SS..PPolyproline II helixtrans-69.1141.3178.4-67.6-11.3000111.4V131 A132 K178V131-D181 CarbonylContact C-O 3.58Å; V131-D181 VanDerWaalsContact CA-O 3.32Å; V131-D181 WeakPolarHBondContact CA-O 3.48Å; A132-D181 PolarHBondContact N-O 2.84Å; K178-D181 WeakPolarHBondContact CA-OD2 3.31Å; K178-D181 WeakPolarHBondContact CB-OD2 3.2Å; K178-D181 PolarHBondContact N-OD2 3.36Å; K178-D181 VanDerWaalsContact O-CB 3.29Å; K178-D181 WeakPolarHBondContact O-CB 3.22Å; K178-D181 VanDerWaalsContact O-CG 3.27Å; K178-D181 PolarHBondContact O-N 3.44Å
182K95.7Very high90.4Very high166 Ų16664 Ų6472%0.72232%0.32SS*.BIsolated β-bridgetrans-77.7119.6165.3-71-176.7-177.2174.70108.9V131 T184V131-K182 HydrophobicContact CG2-CG 4.27Å; K182-T184 PolarHBondContact O-N 3.08Å
183L92.4Very high89.3Confident3 Ų361.9 Ų61.92%0.01631%0.312CS..PPolyproline II helixtrans-69.8130.1-175.1-64.6173.2000112.3A126 S128 G129 N130 A132 C177 Q187 L191 L216A126-L183 HydrophobicContact CB-CD1 3.35Å; S128-L183 CarbonylContact C-O 3.58Å; S128-L183 WeakPolarHBondContact CA-O 3.36Å; S128-L183 PolarHBondContact OG-O 2.48Å; G129-L183 PolarHBondContact N-O 3.35Å; N130-L183 PolarHBondContact O-N 2.79Å; A132-L183 HydrophobicContact CB-CD2 4.12Å; A132-L183 HydrophobicContact CB-CG 4.45Å; C177-L183 HydrophobicContact CB-CD2 3.54Å; L183-Q187 HydrophobicContact CD2-CB 4.11Å; L183-L191 HydrophobicContact CD1-CD1 3.87Å; L183-L191 HydrophobicContact CD2-CD1 3.98Å; L183-L216 HydrophobicContact CD1-CD1 4.44Å
184T94.4Very high87.8Confident57 Ų5758.7 Ų58.735%0.3529%0.293SS..PPolyproline II helixtrans-70.9161.1168.1600000111.1K182 E186 Q187 A188K182-T184 PolarHBondContact O-N 3.08Å; T184-E186 PolarHBondContact O-N 2.82Å; T184-Q187 PolarHBondContact O-N 3.01Å; T184-Q187 WeakPolarHBondContact OG1-CB 3.49Å; T184-Q187 VanDerWaalsContact OG1-CD 3.24Å; T184-Q187 WeakPolarHBondContact OG1-CG 3.45Å; T184-Q187 PolarHBondContact OG1-N 3.42Å; T184-Q187 PolarHBondContact OG1-OE1 3.32Å; T184-A188 WeakPolarHBondContact O-CB 3.46Å; T184-A188 PolarHBondContact O-N 3.39Å
185P92.5Very high86Confident59 Ų5964.1 Ų64.138%0.38332%0.324SS..Hα-helixtrans-54.7-36.4172.4-24.634.2000113.4S128 K189S128-P185 WeakPolarHBondContact OG-CD 3.48Å; S128-P185 WeakPolarHBondContact OG-CG 3.23Å; P185-K189 WeakPolarHBondContact O-CD 3.27Å; P185-K189 VanDerWaalsContact O-CG 3.22Å; P185-K189 WeakPolarHBondContact O-CG 3.28Å; P185-K189 PolarHBondContact O-N 3.05Å; P185-K189 VanDerWaalsContact O-N 3.09Å
186E91.7Very high84.1Confident78 Ų7861.6 Ų61.636%0.36431%0.307SS..Hα-helixtrans-69.7-50.4-179.9-66.564.4-14100110.8L157 T184 A188 K189 I190L157-E186 HydrophobicContact CD2-CB 4.29Å; L157-E186 HydrophobicContact CD2-CG 4.37Å; T184-E186 PolarHBondContact O-N 2.82Å; E186-A188 VanDerWaalsContact C-N 3.35Å; E186-A188 PolarHBondContact O-N 2.8Å; E186-K189 WeakPolarHBondContact O-CB 3.18Å; E186-K189 PolarHBondContact O-N 3.07Å; E186-K189 VanDerWaalsContact O-N 3.1Å; E186-I190 WeakPolarHBondContact O-CG1 2.88Å; E186-I190 PolarHBondContact O-N 3.21Å
187Q90.3Very high81.7Confident41 Ų4165.1 Ų65.119%0.19233%0.331CS..Hα-helixtrans-59.7-44.4176.1-70.9164.9-3800111.7V176 L183 T184 K189 I190 L191V176-Q187 HydrophobicContact CG1-CB 4.17Å; V176-Q187 HydrophobicContact CG1-CG 4.22Å; V176-Q187 VanDerWaalsContact O-CD 3.32Å; V176-Q187 VanDerWaalsContact O-CG 3.31Å; V176-Q187 WeakPolarHBondContact O-CG 3.42Å; V176-Q187 PolarHBondContact O-NE2 2.91Å; L183-Q187 HydrophobicContact CD2-CB 4.11Å; T184-Q187 PolarHBondContact O-N 3.01Å; T184-Q187 WeakPolarHBondContact OG1-CB 3.49Å; T184-Q187 VanDerWaalsContact OG1-CD 3.24Å; T184-Q187 WeakPolarHBondContact OG1-CG 3.45Å; T184-Q187 PolarHBondContact OG1-N 3.42Å; T184-Q187 PolarHBondContact OG1-OE1 3.32Å; Q187-K189 VanDerWaalsContact C-N 3.26Å; Q187-K189 PolarHBondContact O-N 3.43Å; Q187-I190 PolarHBondContact O-N 3.16Å; Q187-I190 VanDerWaalsContact O-N 3.1Å; Q187-L191 VanDerWaalsContact O-CG 3.32Å; Q187-L191 WeakPolarHBondContact O-CG 3.42Å; Q187-L191 PolarHBondContact O-N 3.24Å
188A89.1Confident79.3Confident7 Ų768.3 Ų68.36%0.05835%0.35CS..Hα-helixtrans-61.4-35.8176.900000111.9T184 E186 V192T184-A188 WeakPolarHBondContact O-CB 3.46Å; T184-A188 PolarHBondContact O-N 3.39Å; E186-A188 VanDerWaalsContact C-N 3.35Å; E186-A188 PolarHBondContact O-N 2.8Å; A188-V192 WeakPolarHBondContact O-CG2 3.32Å; A188-V192 PolarHBondContact O-N 2.72Å
189K88.6Confident76.7Confident93 Ų9371.9 Ų71.940%0.40437%0.365SS..Hα-helixtrans-68.7-38173.3-74166.9-172.7170.20112L157 P185 E186 Q187 L191 V192 H194L157-K189 HydrophobicContact CD1-CB 4.12Å; L157-K189 HydrophobicContact CD2-CB 3.99Å; L157-K189 HydrophobicContact CD2-CD 3.79Å; P185-K189 WeakPolarHBondContact O-CD 3.27Å; P185-K189 VanDerWaalsContact O-CG 3.22Å; P185-K189 WeakPolarHBondContact O-CG 3.28Å; P185-K189 PolarHBondContact O-N 3.05Å; P185-K189 VanDerWaalsContact O-N 3.09Å; E186-K189 WeakPolarHBondContact O-CB 3.18Å; E186-K189 PolarHBondContact O-N 3.07Å; E186-K189 VanDerWaalsContact O-N 3.1Å; Q187-K189 VanDerWaalsContact C-N 3.26Å; Q187-K189 PolarHBondContact O-N 3.43Å; K189-L191 VanDerWaalsContact C-N 3.35Å; K189-V192 PolarHBondContact O-N 2.81Å; K189-H194 PolarHBondContact O-NE2 3.17Å
190I86.5Confident74.4Confident3 Ų369.8 Ų69.82%0.01536%0.357CS..Hα-helixtrans-62.7-42.9177-66.2166.8000110.6L157 L159 V176 E186 Q187 V192 F212L157-I190 HydrophobicContact CB-CD1 3.97Å; L157-I190 HydrophobicContact CB-CG1 3.81Å; L157-I190 HydrophobicContact CD1-CG1 3.83Å; L157-I190 HydrophobicContact CG-CG1 4.43Å; L159-I190 HydrophobicContact CD1-CD1 4.2Å; L159-I190 HydrophobicContact CD1-CG1 4.09Å; L159-I190 HydrophobicContact CD1-CG2 4.18Å; L159-I190 HydrophobicContact CG-CD1 3.98Å; L159-I190 HydrophobicContact CG-CG1 4.43Å; V176-I190 HydrophobicContact CG1-CB 4.16Å; V176-I190 HydrophobicContact CG1-CD1 4.42Å; V176-I190 HydrophobicContact CG1-CG2 4Å; V176-I190 HydrophobicContact CG2-CG2 3.85Å; E186-I190 WeakPolarHBondContact O-CG1 2.88Å; E186-I190 PolarHBondContact O-N 3.21Å; Q187-I190 PolarHBondContact O-N 3.16Å; Q187-I190 VanDerWaalsContact O-N 3.1Å; I190-V192 VanDerWaalsContact C-N 3.29Å; I190-V192 PolarHBondContact O-N 2.9Å; I190-F212 HydrophobicContact CG2-CE1 4.4Å; I190-F212 WeakPolarHBondContact O-CD1 3.36Å
191L85.4Confident72.3Confident1 Ų174.3 Ų74.31%0.00537%0.37CS..Hα-helixtrans-72.2-19.1-176.5-64.5168.7000114.3V136 V176 L183 Q187 K189 E214 L216V136-L191 HydrophobicContact CB-CD2 3.94Å; V136-L191 HydrophobicContact CG1-CD2 3.72Å; V136-L191 HydrophobicContact CG2-CD2 3.95Å; V176-L191 HydrophobicContact CG1-CD2 4.07Å; V176-L191 HydrophobicContact CG1-CG 4.14Å; L183-L191 HydrophobicContact CD1-CD1 3.87Å; L183-L191 HydrophobicContact CD2-CD1 3.98Å; Q187-L191 VanDerWaalsContact O-CG 3.32Å; Q187-L191 WeakPolarHBondContact O-CG 3.42Å; Q187-L191 PolarHBondContact O-N 3.24Å; K189-L191 VanDerWaalsContact C-N 3.35Å; L191-E214 HydrophobicContact CB-CB 4.31Å; L191-E214 HydrophobicContact CD2-CB 3.75Å; L191-E214 HydrophobicContact CD2-CG 4.41Å; L191-E214 PolarHBondContact O-N 3.24Å; L191-E214 VanDerWaalsContact O-N 3.08Å; L191-L216 HydrophobicContact CD1-CD1 3.59Å; L191-L216 HydrophobicContact CD1-CG 4.33Å; L191-L216 HydrophobicContact CD2-CD1 4.39Å
192V81Confident70.2Confident38 Ų3876.2 Ų76.223%0.2338%0.38CS..SBendtrans-77.5140.5180169.50000110.2Y125 A188 K189 I190 H194 F212Y125-V192 HydrophobicContact CD1-CG2 4.45Å; Y125-V192 HydrophobicContact CG-CB 4.49Å; Y125-V192 HydrophobicContact CG-CG2 4.04Å; A188-V192 WeakPolarHBondContact O-CG2 3.32Å; A188-V192 PolarHBondContact O-N 2.72Å; K189-V192 PolarHBondContact O-N 2.81Å; I190-V192 VanDerWaalsContact C-N 3.29Å; I190-V192 PolarHBondContact O-N 2.9Å; V192-H194 PolarHBondContact O-CD2 2.91Å; V192-H194 VanDerWaalsContact O-CD2 3.24Å; V192-H194 PolarHBondContact O-N 3.05Å; V192-F212 CarbonylContact C-O 3.56Å
193R68.3Low67.9Low128 Ų12874.6 Ų74.648%0.48338%0.383SS..  trans-65.4100.8170.2-174.5174.6176.8169.5-1109.5Y125 F212 D213Y125-R193 HydrophobicContact CE1-CB 4.04Å; Y125-R193 WeakPolarHBondContact OH-CB 3.19Å; R193-F212 WeakPolarHBondContact CA-O 3.44Å; R193-F212 WeakPolarHBondContact CB-O 3.46Å; R193-F212 PolarHBondContact N-O 2.76Å; R193-D213 IonicContact NH1-OD2 3.73Å
194H58.6Low65.5Low44 Ų4478.7 Ų78.720%0.20441%0.405CS..  trans-74.1151.4159-57-80.1000107.9K189 V192 F196K189-H194 PolarHBondContact O-NE2 3.17Å; V192-H194 PolarHBondContact O-CD2 2.91Å; V192-H194 VanDerWaalsContact O-CD2 3.24Å; V192-H194 PolarHBondContact O-N 3.05Å; H194-F196 HydrophobicContact CB-CD1 3.95Å; H194-F196 HydrophobicContact CB-CD2 3.66Å; H194-F196 HydrophobicContact CB-CE1 3.64Å; H194-F196 HydrophobicContact CB-CE2 3.37Å; H194-F196 HydrophobicContact CB-CG 3.96Å; H194-F196 HydrophobicContact CB-CZ 3.33Å; H194-F196 AromaticContact CD2-CE2 3.53Å; H194-F196 AromaticContact CD2-CZ 3.57Å; H194-F196 AromaticContact CG-CE2 3.73Å; H194-F196 AromaticContact CG-CZ 3.54Å; H194-F196 PolarHBondContact O-N 3.38Å
195N48.9Very low63Low157 Ų15783.4 Ų83.484%0.8442%0.416SS*.SBendtrans-69.958.9175-103.64.2000110.9C197N195-C197 PolarHBondContact O-N 3.2Å
196F51.5Low60.7Low18 Ų1890.5 Ų90.58%0.07944%0.436CS..  trans-78.2-0.8176.9-62.7-47.2000112.9I146 M150 L154 H194 V198 F212I146-F196 HydrophobicContact CD1-CB 3.89Å; I146-F196 HydrophobicContact CD1-CD1 3.79Å; I146-F196 HydrophobicContact CD1-CD2 3.23Å; I146-F196 HydrophobicContact CD1-CE1 4.05Å; I146-F196 HydrophobicContact CD1-CE2 3.49Å; I146-F196 VanDerWaalsContact CD1-CE2 3.49Å; I146-F196 HydrophobicContact CD1-CG 3.39Å; I146-F196 HydrophobicContact CD1-CZ 3.92Å; M150-F196 HydrophobicContact CB-CE1 4.27Å; M150-F196 HydrophobicContact CE-CE1 3.57Å; M150-F196 HydrophobicContact CE-CZ 4.09Å; M150-F196 HydrophobicContact CG-CD1 4.47Å; M150-F196 HydrophobicContact CG-CE1 3.92Å; M150-F196 HydrophobicContact SD-CE1 4.48Å; L154-F196 HydrophobicContact CD2-CZ 4.35Å; H194-F196 HydrophobicContact CB-CD1 3.95Å; H194-F196 HydrophobicContact CB-CD2 3.66Å; H194-F196 HydrophobicContact CB-CE1 3.64Å; H194-F196 HydrophobicContact CB-CE2 3.37Å; H194-F196 HydrophobicContact CB-CG 3.96Å; H194-F196 HydrophobicContact CB-CZ 3.33Å; H194-F196 AromaticContact CD2-CE2 3.53Å; H194-F196 AromaticContact CD2-CZ 3.57Å; H194-F196 AromaticContact CG-CE2 3.73Å; H194-F196 AromaticContact CG-CZ 3.54Å; H194-F196 PolarHBondContact O-N 3.38Å; F196-V198 VanDerWaalsContact C-N 3.34Å; F196-V198 PolarHBondContact O-N 3.25Å; F196-F212 HydrophobicContact CD2-CB 4.39Å; F196-F212 HydrophobicContact CD2-CD1 4.21Å; F196-F212 HydrophobicContact CD2-CD2 4.03Å; F196-F212 HydrophobicContact CD2-CE2 4.4Å; F196-F212 AromaticContact CD2-CG 3.94Å; F196-F212 HydrophobicContact CD2-CG 3.94Å; F196-F212 AromaticContact CE2-CD1 3.63Å; F196-F212 HydrophobicContact CE2-CD1 3.63Å; F196-F212 HydrophobicContact CE2-CD2 4.14Å; F196-F212 AromaticContact CE2-CE1 3.74Å; F196-F212 HydrophobicContact CE2-CE1 3.74Å; F196-F212 HydrophobicContact CE2-CE2 4.25Å; F196-F212 AromaticContact CE2-CG 3.85Å; F196-F212 HydrophobicContact CE2-CG 3.85Å; F196-F212 HydrophobicContact CE2-CZ 4.05Å
197C39Very low58.4Low78 Ų7890.9 Ų90.953%0.52745%0.453SS..  trans-72.789.5-176.8-139.70000110.6N195N195-C197 PolarHBondContact O-N 3.2Å
198V38.6Very low56.1Low69 Ų6991.8 Ų91.842%0.41846%0.459SS..  trans-65.2126.1150.9-162.40000105.4F196 F200F196-V198 VanDerWaalsContact C-N 3.34Å; F196-V198 PolarHBondContact O-N 3.25Å; V198-F200 HydrophobicContact CB-CD2 4.09Å; V198-F200 HydrophobicContact CB-CE2 3.77Å; V198-F200 HydrophobicContact CG1-CD2 4.4Å; V198-F200 HydrophobicContact CG1-CE2 3.88Å; V198-F200 HydrophobicContact CG1-CZ 4.38Å; V198-F200 PolarHBondContact O-N 2.94Å
199K37.7Very low54.2Low204 Ų20498.8 Ų98.889%0.88749%0.488SS*.  trans-61.9109.3177.1-68.1-171.6178.8-177.10107.8
200F45.9Very low52.4Low110 Ų110100.9 Ų100.948%0.48250%0.5SS..  trans-114.5148.8162.8-76.1-77.2000108.5V198 I204V198-F200 HydrophobicContact CB-CD2 4.09Å; V198-F200 HydrophobicContact CB-CE2 3.77Å; V198-F200 HydrophobicContact CG1-CD2 4.4Å; V198-F200 HydrophobicContact CG1-CE2 3.88Å; V198-F200 HydrophobicContact CG1-CZ 4.38Å; V198-F200 PolarHBondContact O-N 2.94Å; F200-I204 HydrophobicContact CB-CD1 4.11Å; F200-I204 HydrophobicContact CG-CD1 4.4Å
201D49.1Very low51.1Low142 Ų142102.5 Ų102.576%0.75951%0.508SS*.  trans-50.3148.3179.6-61.6-49.8000111.5V203 I204D201-V203 PolarHBondContact O-N 3.07Å; D201-I204 PolarHBondContact O-N 2.85Å
202D50Low50.3Low105 Ų105103.5 Ų103.556%0.56151%0.512SS*.G310 helixtrans-54.4-11.4-159.4-70-53.7000116.4R205D202-R205 IonicContact OD1-CZ 2.94Å; D202-R205 IonicContact OD1-NE 2.94Å; D202-R205 IonicContact OD1-NH1 2.62Å; D202-R205 PolarHBondContact OD1-NH1 3.42Å; D202-R205 IonicContact OD1-NH2 2.98Å; D202-R205 PolarHBondContact OD1-NH2 3.42Å
203V45.7Very low50.2Low131 Ų131103.7 Ų103.779%0.79451%0.512SS*.G310 helixtrans-76.1-26.2-177.2-170.10000113D201 R205D201-V203 PolarHBondContact O-N 3.07Å; V203-R205 VanDerWaalsContact C-N 3.3Å; V203-R205 PolarHBondContact O-N 3.36Å
204I42.3Very low50.8Low90 Ų9099.2 Ų99.246%0.46250%0.496SS..G310 helixtrans-86.94.5-175.9-48.5-176.9000112.7F200 D201 Y206F200-I204 HydrophobicContact CB-CD1 4.11Å; F200-I204 HydrophobicContact CG-CD1 4.4Å; D201-I204 PolarHBondContact O-N 2.85Å; I204-Y206 VanDerWaalsContact C-N 3.34Å; I204-Y206 PolarHBondContact O-N 2.9Å
205R42.5Very low52.1Low155 Ų155100.7 Ų100.759%0.58550%0.502SS*.G310 helixtrans-69.7-20.8-173.5-81.8-173.2176.6139.314.9115.8D202 V203D202-R205 IonicContact OD1-CZ 2.94Å; D202-R205 IonicContact OD1-NE 2.94Å; D202-R205 IonicContact OD1-NH1 2.62Å; D202-R205 PolarHBondContact OD1-NH1 3.42Å; D202-R205 IonicContact OD1-NH2 2.98Å; D202-R205 PolarHBondContact OD1-NH2 3.42Å; V203-R205 VanDerWaalsContact C-N 3.3Å; V203-R205 PolarHBondContact O-N 3.36Å
206Y44.3Very low53.9Low208 Ų20893.4 Ų93.482%0.81646%0.463SS*.SBendtrans-80.5-46.1-166-80.5-83.3000114.9I204 L208I204-Y206 VanDerWaalsContact C-N 3.34Å; I204-Y206 PolarHBondContact O-N 2.9Å; Y206-L208 PolarHBondContact O-N 2.96Å
207A44Very low55.8Low87 Ų8792.9 Ų92.972%0.71946%0.462SS*.G310 helixtrans-72.2-14.8-178.800000113.8
208L41.8Very low58.4Low60 Ų6092.4 Ų92.431%0.31446%0.457SS..G310 helixtrans-76.7-31.6-170.4-115.4179.1000115Q145 Y206 E210Q145-L208 HydrophobicContact CB-CD2 3.5Å; Q145-L208 HydrophobicContact CB-CG 4.37Å; Q145-L208 HydrophobicContact CG-CD1 4.11Å; Q145-L208 HydrophobicContact CG-CD2 3.29Å; Q145-L208 HydrophobicContact CG-CG 3.6Å; Y206-L208 PolarHBondContact O-N 2.96Å; L208-E210 PolarHBondContact O-N 2.81Å; L208-E210 VanDerWaalsContact O-N 3.17Å
209K47.6Very low61Low154 Ų15489.1 Ų89.167%0.6744%0.437SS*.G310 helixtrans-71.3-12.8-165.1-154176.9-177.6-179.20111.6
210E52.4Low63.7Low137 Ų13783.1 Ų83.164%0.6441%0.411SS*.G310 helixtrans-86.1-24.8-160.1-60.4-16415300114.8L208L208-E210 PolarHBondContact O-N 2.81Å; L208-E210 VanDerWaalsContact O-N 3.17Å
211I58.2Low65.9Low36 Ų3678 Ų7819%0.18539%0.389CS..THydrogen-bonded Turntrans-102.2-53-171.5-57.9159.8000113.1V138 L143V138-I211 HydrophobicContact CB-CG1 4.41Å; V138-I211 HydrophobicContact CB-CG2 4.47Å; V138-I211 HydrophobicContact CG1-CD1 3.35Å; V138-I211 HydrophobicContact CG1-CG1 3.72Å; V138-I211 HydrophobicContact CG1-CG2 4.18Å; V138-I211 HydrophobicContact CG2-CB 4.33Å; V138-I211 HydrophobicContact CG2-CG1 4.06Å; V138-I211 HydrophobicContact CG2-CG2 3.44Å; V138-I211 VanDerWaalsContact CG2-CG2 3.44Å; L143-I211 HydrophobicContact CD2-CD1 4.03Å
212F69.6Low68.1Low23 Ų2373.9 Ų73.910%0.10137%0.365CS..SBendtrans-97.45.5-165.8-67.7-74.2000113.9I146 L154 I190 V192 R193 F196I146-F212 HydrophobicContact CD1-CD2 4.11Å; I146-F212 HydrophobicContact CD1-CE2 3.58Å; I146-F212 HydrophobicContact CD1-CZ 4Å; I146-F212 HydrophobicContact CG1-CE2 4.13Å; L154-F212 HydrophobicContact CD2-CE1 4.15Å; L154-F212 HydrophobicContact CD2-CZ 4.18Å; I190-F212 HydrophobicContact CG2-CE1 4.4Å; I190-F212 WeakPolarHBondContact O-CD1 3.36Å; V192-F212 CarbonylContact C-O 3.56Å; R193-F212 WeakPolarHBondContact CA-O 3.44Å; R193-F212 WeakPolarHBondContact CB-O 3.46Å; R193-F212 PolarHBondContact N-O 2.76Å; F196-F212 HydrophobicContact CD2-CB 4.39Å; F196-F212 HydrophobicContact CD2-CD1 4.21Å; F196-F212 HydrophobicContact CD2-CD2 4.03Å; F196-F212 HydrophobicContact CD2-CE2 4.4Å; F196-F212 AromaticContact CD2-CG 3.94Å; F196-F212 HydrophobicContact CD2-CG 3.94Å; F196-F212 AromaticContact CE2-CD1 3.63Å; F196-F212 HydrophobicContact CE2-CD1 3.63Å; F196-F212 HydrophobicContact CE2-CD2 4.14Å; F196-F212 AromaticContact CE2-CE1 3.74Å; F196-F212 HydrophobicContact CE2-CE1 3.74Å; F196-F212 HydrophobicContact CE2-CE2 4.25Å; F196-F212 AromaticContact CE2-CG 3.85Å; F196-F212 HydrophobicContact CE2-CG 3.85Å; F196-F212 HydrophobicContact CE2-CZ 4.05Å
213D78.1Confident70.2Confident42 Ų4269.6 Ų69.623%0.22534%0.341CS..  trans-11536-177.8-158.911.8000112.4Y125 R193 K215Y125-D213 VanDerWaalsContact CE1-OD1 3.27Å; Y125-D213 WeakPolarHBondContact CE1-OD1 3.45Å; Y125-D213 VanDerWaalsContact CZ-OD1 3.24Å; Y125-D213 PolarHBondContact OH-OD1 3.3Å; R193-D213 IonicContact NH1-OD2 3.73Å; D213-K215 PolarHBondContact O-N 3.37Å
214E80.3Confident72.5Confident33 Ų3364.6 Ų64.615%0.15431%0.31CS..  trans-90.7102.5-165.6-73.7-67.3-159.100114.4R134 V136 L191 L216R134-E214 IonicContact CZ-OE2 2.73Å; R134-E214 IonicContact NH1-OE1 2.83Å; R134-E214 PolarHBondContact NH1-OE1 3.08Å; R134-E214 IonicContact NH1-OE2 3.4Å; R134-E214 PolarHBondContact NH1-OE2 2.95Å; R134-E214 IonicContact NH2-OE2 2.59Å; R134-E214 PolarHBondContact NH2-OE2 3.29Å; V136-E214 HydrophobicContact CG1-CG 4.12Å; V136-E214 HydrophobicContact CG2-CG 4.39Å; L191-E214 HydrophobicContact CB-CB 4.31Å; L191-E214 HydrophobicContact CD2-CB 3.75Å; L191-E214 HydrophobicContact CD2-CG 4.41Å; L191-E214 PolarHBondContact O-N 3.24Å; L191-E214 VanDerWaalsContact O-N 3.08Å; E214-L216 PolarHBondContact O-N 2.7Å
215K86.9Confident75Confident76 Ų7660.7 Ų60.733%0.3329%0.29SS..  trans-90.290-178-65.3-177176.9-171.10110.9P123 E124 Y125 D213P123-K215 HydrophobicContact CB-CB 3.84Å; P123-K215 HydrophobicContact CB-CD 3.8Å; P123-K215 HydrophobicContact CB-CG 4.47Å; P123-K215 WeakPolarHBondContact O-CD 3.44Å; E124-K215 CarbonylContact O-C 3.45Å; E124-K215 VanDerWaalsContact O-C 3.27Å; E124-K215 WeakPolarHBondContact O-CA 3.32Å; E124-K215 WeakPolarHBondContact O-CB 3.45Å; Y125-K215 HydrophobicContact CD1-CG 3.91Å; Y125-K215 HydrophobicContact CE1-CG 3.87Å; Y125-K215 HydrophobicContact CG-CG 4.39Å; D213-K215 PolarHBondContact O-N 3.37Å
216L87Confident77.6Confident3 Ų353.5 Ų53.52%0.01626%0.264CS..  trans-94.32.6178.7-56.6-171.8000114.2E124 A126 A132 T133 R134 V136 L183 L191 E214E124-L216 PolarHBondContact O-N 2.86Å; A126-L216 HydrophobicContact CB-CB 3.91Å; A132-L216 HydrophobicContact CB-CD1 4.08Å; T133-L216 WeakPolarHBondContact CG2-O 3.49Å; R134-L216 HydrophobicContact CG-CD2 3.65Å; V136-L216 HydrophobicContact CG2-CD1 4.06Å; V136-L216 HydrophobicContact CG2-CD2 4.2Å; L183-L216 HydrophobicContact CD1-CD1 4.44Å; L191-L216 HydrophobicContact CD1-CD1 3.59Å; L191-L216 HydrophobicContact CD1-CG 4.33Å; L191-L216 HydrophobicContact CD2-CD1 4.39Å; E214-L216 PolarHBondContact O-N 2.7Å
217A91.1Very high80.1Confident7 Ų743.7 Ų43.76%0.05823%0.225CC..EExtended strand (participates in β ladder)trans-115.4164.2173.400000111.1N47 E124 A126N47-A217 HydrophobicContact CB-CB 4.39Å; E124-A217 HydrophobicContact CB-CB 4.35Å; E124-A217 PolarHBondContact N-O 3.04Å; E124-A217 CarbonylContact O-C 3.53Å; E124-A217 WeakPolarHBondContact O-CA 3.44Å; E124-A217 WeakPolarHBondContact O-CB 3.39Å; E124-A217 PolarHBondContact O-N 2.9Å; E124-A217 VanDerWaalsContact O-O 3.08Å; A126-A217 HydrophobicContact CB-CB 4.33Å
218T93.2Very high82.5Confident68 Ų6840.7 Ų40.742%0.41720%0.199SC..EExtended strand (participates in β ladder)trans-131.2120.5176.3-52.50000109.2N47 R122N47-T218 PolarHBondContact ND2-O 3.23Å; R122-T218 CarbonylContact O-C 3.07Å; R122-T218 WeakPolarHBondContact O-CA 3.45Å
219F94Very high84.9Confident0 Ų041.6 Ų41.60%020%0.2CC..EExtended strand (participates in β ladder)trans-71.6124165.4174.9-102.3000108.8A45 D46 M48 C52 M53 V56 Y120 S121 R122 L221A45-F219 HydrophobicContact CB-CE2 4.01Å; D46-F219 WeakPolarHBondContact O-CA 3.43Å; D46-F219 VanDerWaalsContact O-CD2 3.28Å; D46-F219 WeakPolarHBondContact O-CD2 3.4Å; M48-F219 HydrophobicContact CB-CE2 4.33Å; M48-F219 HydrophobicContact CG-CE2 4.31Å; C52-F219 HydrophobicContact CB-CB 4.27Å; C52-F219 HydrophobicContact CB-CD1 3.59Å; C52-F219 HydrophobicContact CB-CD2 3.97Å; C52-F219 HydrophobicContact CB-CE1 3.82Å; C52-F219 HydrophobicContact CB-CE2 4.18Å; C52-F219 HydrophobicContact CB-CG 3.65Å; C52-F219 HydrophobicContact CB-CZ 4.1Å; M53-F219 HydrophobicContact CE-CE2 4.24Å; M53-F219 HydrophobicContact CE-CZ 3.96Å; V56-F219 HydrophobicContact CG2-CE1 4.06Å; Y120-F219 HydrophobicContact CD1-CD1 4.48Å; Y120-F219 HydrophobicContact CD1-CE1 4.23Å; Y120-F219 AromaticContact CE1-CD1 3.9Å; Y120-F219 HydrophobicContact CE1-CD1 3.9Å; Y120-F219 AromaticContact CE1-CE1 3.69Å; Y120-F219 HydrophobicContact CE1-CE1 3.69Å; S121-F219 CarbonylContact C-O 3.56Å; S121-F219 VanDerWaalsContact CA-O 3.23Å; S121-F219 WeakPolarHBondContact CA-O 3.32Å; S121-F219 WeakPolarHBondContact CB-O 3.31Å; R122-F219 HydrophobicContact CB-CB 4.24Å; R122-F219 HydrophobicContact CB-CD1 4.48Å; R122-F219 PolarHBondContact N-O 2.73Å; R122-F219 PolarHBondContact O-N 3.13Å; F219-L221 HydrophobicContact CE1-CD2 4.18Å; F219-L221 HydrophobicContact CE1-CG 4.15Å; F219-L221 HydrophobicContact CE2-CD2 4.33Å; F219-L221 HydrophobicContact CZ-CD2 3.6Å; F219-L221 HydrophobicContact CZ-CG 4.08Å
220K93.3Very high86.9Confident79 Ų7938.3 Ų38.334%0.34320%0.196SC..EExtended strand (participates in β ladder)trans-143.7138.5177.9-172.6168.2-177.8171.40110.1A45 D46A45-K220 CarbonylContact C-O 3.27Å; A45-K220 VanDerWaalsContact CA-O 3.31Å; A45-K220 WeakPolarHBondContact CA-O 3.44Å; D46-K220 PolarHBondContact N-O 3.13Å; D46-K220 PolarHBondContact O-N 3.33Å
221L93.1Very high88.7Confident2 Ų236.6 Ų36.61%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-91.5140.4171.9-61.1174.6000109.3F43 A45 M53 V56 F117 F219F43-L221 HydrophobicContact CD2-CD2 4.06Å; F43-L221 HydrophobicContact CE2-CD2 4Å; A45-L221 HydrophobicContact CB-CD2 3.83Å; M53-L221 HydrophobicContact CE-CD2 4.01Å; V56-L221 HydrophobicContact CG1-CD1 3.89Å; V56-L221 HydrophobicContact CG2-CD1 3.99Å; F117-L221 HydrophobicContact CD1-CB 3.57Å; F117-L221 HydrophobicContact CD1-CD1 4.31Å; F117-L221 HydrophobicContact CE1-CB 3.83Å; F117-L221 HydrophobicContact CE1-CD1 4.06Å; F117-L221 HydrophobicContact CE1-CG 4.45Å; F117-L221 HydrophobicContact CE2-CD1 4.37Å; F117-L221 HydrophobicContact CG-CB 4.21Å; F117-L221 HydrophobicContact CZ-CD1 4.11Å; F219-L221 HydrophobicContact CE1-CD2 4.18Å; F219-L221 HydrophobicContact CE1-CG 4.15Å; F219-L221 HydrophobicContact CE2-CD2 4.33Å; F219-L221 HydrophobicContact CZ-CD2 3.6Å; F219-L221 HydrophobicContact CZ-CG 4.08Å
222H93.7Very high90.2Very high56 Ų5635 Ų3526%0.25919%0.185SC..EExtended strand (participates in β ladder)trans-124.5116.1174.7-58-83.4000109.3F43 T44 D46 L224F43-H222 CarbonylContact C-O 3.57Å; F43-H222 VanDerWaalsContact CA-O 3.24Å; F43-H222 WeakPolarHBondContact CA-O 3.47Å; F43-H222 VanDerWaalsContact CB-O 3.31Å; F43-H222 WeakPolarHBondContact CB-O 3.48Å; T44-H222 HydrophobicContact CG2-CB 3.71Å; T44-H222 PolarHBondContact N-O 2.97Å; T44-H222 PolarHBondContact O-N 3.07Å; D46-H222 IonicContact OD1-NE2 3.13Å; D46-H222 IonicContact OD2-CD2 3.66Å; D46-H222 IonicContact OD2-CE1 3.67Å; D46-H222 IonicContact OD2-NE2 2.72Å; D46-H222 PolarHBondContact OD2-NE2 2.59Å; H222-L224 PolarHBondContact O-N 3.4Å
223L94Very high91.2Very high14 Ų1439.3 Ų39.37%0.07321%0.205CC..EExtended strand (participates in β ladder)trans-75.4123.5175.1-164.3156.7000108.8I41 I113 V114 F117 F237I41-L223 HydrophobicContact CG2-CD1 3.91Å; I41-L223 HydrophobicContact CG2-CD2 4.45Å; I41-L223 HydrophobicContact CG2-CG 3.75Å; I113-L223 HydrophobicContact CG2-CD1 3.95Å; V114-L223 HydrophobicContact CG2-CD1 4.06Å; F117-L223 HydrophobicContact CB-CB 4.28Å; F117-L223 HydrophobicContact CD1-CB 3.9Å; F117-L223 HydrophobicContact CG-CB 4.3Å; F117-L223 HydrophobicContact CG-CD1 4.43Å; L223-F237 HydrophobicContact CD2-CB 3.8Å; L223-F237 HydrophobicContact CD2-CD1 4.32Å; L223-F237 HydrophobicContact CD2-CD2 3.05Å; L223-F237 HydrophobicContact CD2-CE2 3.55Å; L223-F237 HydrophobicContact CD2-CG 3.48Å; L223-F237 VanDerWaalsContact CD2-CG 3.48Å; L223-F237 HydrophobicContact CD2-CZ 4.37Å; L223-F237 HydrophobicContact CG-CD2 4.47Å
224L94.1Very high92Very high26 Ų2639 Ų3914%0.13620%0.204CC..EExtended strand (participates in β ladder)trans-96.7-58.4179.7-59.1-179.4000110.6L42 T44 H222 F237 A238L42-L224 HydrophobicContact CD2-CB 4.46Å; L42-L224 HydrophobicContact CD2-CD1 4.31Å; L42-L224 HydrophobicContact CG-CB 4.36Å; L42-L224 HydrophobicContact CG-CD1 4.22Å; L42-L224 WeakPolarHBondContact O-CA 3.39Å; L42-L224 WeakPolarHBondContact O-CB 3.25Å; L42-L224 PolarHBondContact O-N 3.06Å; T44-L224 HydrophobicContact CG2-CD1 4.25Å; T44-L224 HydrophobicContact CG2-CD2 4.01Å; T44-L224 HydrophobicContact CG2-CG 4.26Å; H222-L224 PolarHBondContact O-N 3.4Å; L224-F237 PolarHBondContact O-N 2.99Å; L224-A238 HydrophobicContact CD2-CB 4.04Å
225L96Very high92.6Very high9 Ų942.3 Ų42.35%0.04722%0.218CC..EExtended strand (participates in β ladder)trans-137.8145.5-176.9-61.6173.5000110.4I41 L42 L93 S96 V234 K235 T236I41-L225 WeakPolarHBondContact CA-O 3.36Å; L42-L225 HydrophobicContact CB-CB 4.22Å; L42-L225 HydrophobicContact CD2-CD1 4.2Å; L42-L225 PolarHBondContact N-O 3.29Å; L42-L225 PolarHBondContact O-N 2.85Å; L93-L225 HydrophobicContact CD1-CB 4.14Å; L93-L225 HydrophobicContact CD1-CD1 4.12Å; L93-L225 HydrophobicContact CG-CB 4.17Å; L93-L225 HydrophobicContact CG-CD1 4.14Å; S96-L225 WeakPolarHBondContact OG-CD1 3.24Å; L225-V234 HydrophobicContact CB-CG1 4.27Å; L225-V234 HydrophobicContact CD2-CG1 4.01Å; L225-K235 WeakPolarHBondContact CA-O 3.43Å; L225-T236 HydrophobicContact CD2-CG2 3.7Å; L225-T236 WeakPolarHBondContact CD2-OG1 3.37Å
226L96Very high92.9Very high4 Ų443.6 Ų43.62%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-123.3123.5170.2-176.4153.9000108.3I41 A110 V234 K235 F237I41-L226 HydrophobicContact CD1-CD1 4.09Å; I41-L226 HydrophobicContact CD1-CG 4.48Å; I41-L226 HydrophobicContact CG1-CB 4.45Å; I41-L226 HydrophobicContact CG1-CD1 4.19Å; I41-L226 HydrophobicContact CG1-CG 4.04Å; A110-L226 HydrophobicContact CB-CD1 3.63Å; A110-L226 HydrophobicContact CB-CD2 4.39Å; L226-V234 CarbonylContact O-C 3.56Å; L226-V234 VanDerWaalsContact O-CA 3.3Å; L226-V234 WeakPolarHBondContact O-CA 3.3Å; L226-K235 HydrophobicContact CB-CB 4.49Å; L226-K235 PolarHBondContact N-O 3.11Å; L226-K235 PolarHBondContact O-N 3.44Å; L226-F237 HydrophobicContact CB-CE2 3.84Å
227W96.7Very high93Very high1 Ų147.9 Ų47.90%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-107.1138.1172174.692.4000109.4I34 Q39 V40 S87 K88 L90 L93 K229 Q233 V234I34-W227 HydrophobicContact CG2-CH2 4.07Å; I34-W227 HydrophobicContact CG2-CZ3 4.17Å; Q39-W227 WeakPolarHBondContact CA-O 3.36Å; V40-W227 HydrophobicContact CB-CB 4.38Å; V40-W227 HydrophobicContact CB-CE3 3.8Å; V40-W227 HydrophobicContact CG2-CE3 3.49Å; V40-W227 VanDerWaalsContact CG2-CE3 3.49Å; V40-W227 HydrophobicContact CG2-CZ3 3.72Å; V40-W227 PolarHBondContact N-O 3.39Å; V40-W227 PolarHBondContact O-N 3.28Å; S87-W227 WeakPolarHBondContact OG-CZ2 3.46Å; K88-W227 PolarHBondContact O-NE1 3.24Å; L90-W227 HydrophobicContact CD1-CB 4.4Å; L90-W227 HydrophobicContact CD1-CD2 3.73Å; L90-W227 HydrophobicContact CD1-CE3 4.18Å; L90-W227 HydrophobicContact CD1-CG 3.83Å; L93-W227 HydrophobicContact CD1-CB 3.79Å; L93-W227 HydrophobicContact CD2-CB 3.97Å; W227-K229 VanDerWaalsContact CH2-CA 3.49Å; W227-K229 HydrophobicContact CH2-CB 3.75Å; W227-K229 HydrophobicContact CH2-CG 3.94Å; W227-K229 HydrophobicContact CZ3-CB 3.78Å; W227-K229 HydrophobicContact CZ3-CG 4.35Å; W227-Q233 WeakPolarHBondContact CA-O 3.39Å; W227-V234 HydrophobicContact CB-CG2 4.23Å; W227-V234 HydrophobicContact CG-CG2 4.34Å
228S95Very high92.2Very high25 Ų2549.4 Ų49.418%0.17526%0.264CS..EExtended strand (participates in β ladder)trans-116.4134.6177.7178.20000110.5S230 G232 Q233S228-S230 PolarHBondContact OG-OG 2.84Å; S228-G232 WeakPolarHBondContact O-CA 3.35Å; S228-G232 PolarHBondContact O-N 2.75Å; S228-Q233 PolarHBondContact N-O 2.92Å
229K93.1Very high90.6Very high79 Ų7958 Ų5834%0.34329%0.289SS..THydrogen-bonded Turntrans-68.4-37-175.4-172.7-179.8178-170.30113.3D35 E38 W227 D231D35-K229 PolarHBondContact O-NZ 3.01Å; E38-K229 VanDerWaalsContact O-CB 3.3Å; E38-K229 WeakPolarHBondContact O-CB 3.27Å; E38-K229 PolarHBondContact O-N 2.92Å; W227-K229 VanDerWaalsContact CH2-CA 3.49Å; W227-K229 HydrophobicContact CH2-CB 3.75Å; W227-K229 HydrophobicContact CH2-CG 3.94Å; W227-K229 HydrophobicContact CZ3-CB 3.78Å; W227-K229 HydrophobicContact CZ3-CG 4.35Å; K229-D231 PolarHBondContact O-N 3.02Å
230S89.9Confident88.7Confident84 Ų8463.6 Ų63.659%0.58731%0.313SS*.THydrogen-bonded Turntrans-57.6-50.4-176.458.20000113S228S228-S230 PolarHBondContact OG-OG 2.84Å
231D89Confident86.7Confident102 Ų10269.3 Ų69.355%0.54534%0.338SS..THydrogen-bonded Turntrans-110-8-174.1-55.5-40.6000113.2K229 Q233K229-D231 PolarHBondContact O-N 3.02Å; D231-Q233 HydrophobicContact CB-CB 4.36Å; D231-Q233 HydrophobicContact CB-CG 3.78Å; D231-Q233 PolarHBondContact O-N 2.81Å
232G89Confident84.1Confident3 Ų373.4 Ų73.43%0.03137%0.366CS..  trans62.122.2-16900000112.8N89 S228N89-G232 VanDerWaalsContact CB-O 3.3Å; N89-G232 WeakPolarHBondContact CB-O 3.4Å; N89-G232 PolarHBondContact ND2-O 3.08Å; S228-G232 WeakPolarHBondContact O-CA 3.35Å; S228-G232 PolarHBondContact O-N 2.75Å
233Q92.2Very high81.7Confident113 Ų11375 Ų7553%0.52839%0.39SS..  trans-78.3146.5-180-74.2-17229.200111.3W227 S228 D231W227-Q233 WeakPolarHBondContact CA-O 3.39Å; S228-Q233 PolarHBondContact N-O 2.92Å; D231-Q233 HydrophobicContact CB-CB 4.36Å; D231-Q233 HydrophobicContact CB-CG 3.78Å; D231-Q233 PolarHBondContact O-N 2.81Å
234V93.9Very high78.9Confident34 Ų3482 Ų8221%0.20643%0.426CS..EExtended strand (participates in β ladder)trans-120115.3177.1-179.40000109.5N89 K92 L93 L225 L226 W227N89-V234 HydrophobicContact CB-CG2 4Å; K92-V234 HydrophobicContact CB-CG2 4.35Å; K92-V234 HydrophobicContact CD-CB 4.4Å; K92-V234 HydrophobicContact CD-CG2 4.24Å; L93-V234 HydrophobicContact CD1-CG1 3.82Å; L93-V234 HydrophobicContact CD1-CG2 3.92Å; L225-V234 HydrophobicContact CB-CG1 4.27Å; L225-V234 HydrophobicContact CD2-CG1 4.01Å; L226-V234 CarbonylContact O-C 3.56Å; L226-V234 VanDerWaalsContact O-CA 3.3Å; L226-V234 WeakPolarHBondContact O-CA 3.3Å; W227-V234 HydrophobicContact CB-CG2 4.23Å; W227-V234 HydrophobicContact CG-CG2 4.34Å
235K93.9Very high76Confident104 Ų10490 Ų9045%0.45246%0.46SS..EExtended strand (participates in β ladder)trans-92137.5171.1-65-177.1-178.7179.40109.9L225 L226 F237L225-K235 WeakPolarHBondContact CA-O 3.43Å; L226-K235 HydrophobicContact CB-CB 4.49Å; L226-K235 PolarHBondContact N-O 3.11Å; L226-K235 PolarHBondContact O-N 3.44Å; K235-F237 HydrophobicContact CB-CD2 4.46Å; K235-F237 HydrophobicContact CB-CE2 3.66Å; K235-F237 HydrophobicContact CB-CZ 4.15Å
236T92.9Very high73Confident102 Ų10295.1 Ų95.163%0.62650%0.496SS*.EExtended strand (participates in β ladder)trans-113.2133.2-180-54.40000110.4L225L225-T236 HydrophobicContact CD2-CG2 3.7Å; L225-T236 WeakPolarHBondContact CD2-OG1 3.37Å
237F88.4Confident70Confident93 Ų93107.4 Ų107.441%0.40855%0.55SS..  trans-118.5-44-172.7-68.7-97.7000113.5V114 L223 L224 L226 K235V114-F237 HydrophobicContact CB-CE1 4.27Å; V114-F237 HydrophobicContact CG1-CD1 4.32Å; V114-F237 HydrophobicContact CG1-CE1 3.93Å; V114-F237 HydrophobicContact CG2-CD1 4.08Å; V114-F237 HydrophobicContact CG2-CE1 3.26Å; V114-F237 HydrophobicContact CG2-CE2 4.32Å; V114-F237 HydrophobicContact CG2-CZ 3.39Å; L223-F237 HydrophobicContact CD2-CB 3.8Å; L223-F237 HydrophobicContact CD2-CD1 4.32Å; L223-F237 HydrophobicContact CD2-CD2 3.05Å; L223-F237 HydrophobicContact CD2-CE2 3.55Å; L223-F237 HydrophobicContact CD2-CG 3.48Å; L223-F237 VanDerWaalsContact CD2-CG 3.48Å; L223-F237 HydrophobicContact CD2-CZ 4.37Å; L223-F237 HydrophobicContact CG-CD2 4.47Å; L224-F237 PolarHBondContact O-N 2.99Å; L226-F237 HydrophobicContact CB-CE2 3.84Å; K235-F237 HydrophobicContact CB-CD2 4.46Å; K235-F237 HydrophobicContact CB-CE2 3.66Å; K235-F237 HydrophobicContact CB-CZ 4.15Å
238A75.8Confident68.7Low40 Ų40112.8 Ų112.833%0.33158%0.577SS.*  trans-122132.6179.400000111L224L224-A238 HydrophobicContact CD2-CB 4.04Å
239R59.1Low67.3Low247 Ų247117.4 Ų117.493%0.93260%0.598SS**  trans-77.3136.1168.7-136.3175.2-173-179.71.4108.4K241R239-K241 PolarHBondContact O-N 2.74Å; R239-K241 VanDerWaalsContact O-N 3.13Å
240K53.4Low65.9Low118 Ų118119.5 Ų119.551%0.51361%0.612SS.*  trans-43.1121.5171.6-105.5172.1173170.60109.2S98 S242S98-K240 WeakPolarHBondContact OG-CE 3.49Å; S98-K240 PolarHBondContact OG-NZ 3.24Å; K240-S242 PolarHBondContact O-N 3.44Å
241K50.5Low64.5Low200 Ų200121.6 Ų121.687%0.8761%0.614SS**  trans-60.2104.1148.1-79.1-176.6179.2176.90103.7R239 A243R239-K241 PolarHBondContact O-N 2.74Å; R239-K241 VanDerWaalsContact O-N 3.13Å; K241-A243 PolarHBondContact O-N 2.94Å
242S40.1Very low62.9Low87 Ų87122.8 Ų122.861%0.60862%0.618SS**  trans-46.2118.1168.551.20000105.4K240 L244K240-S242 PolarHBondContact O-N 3.44Å; S242-L244 VanDerWaalsContact C-N 3.26Å; S242-L244 PolarHBondContact O-N 3.38Å
243A42.3Very low61.2Low91 Ų91130.8 Ų130.875%0.75266%0.657SS**  trans-52.2108162.800000103.9K241 K245K241-A243 PolarHBondContact O-N 2.94Å; A243-K245 PolarHBondContact O-N 2.96Å
244L35.2Very low59Low159 Ų159132.1 Ų132.183%0.83267%0.667SS**  trans-52107.5164.1-102.184.9000102.7S242 S246S242-L244 VanDerWaalsContact C-N 3.26Å; S242-L244 PolarHBondContact O-N 3.38Å; L244-S246 PolarHBondContact O-N 3.17Å
245K34Very low56.3Low195 Ų195139.6 Ų139.685%0.84870%0.702SS**  trans-58.499.9160.4-76.6-178.1175-178.40102.8A243 K247A243-K245 PolarHBondContact O-N 2.96Å; K245-K247 VanDerWaalsContact C-N 3.26Å; K245-K247 PolarHBondContact O-N 3.38Å
246S33.7Very low53.2Low116 Ų116142.6 Ų142.681%0.81172%0.723SS**  trans-56.3107.7157-168.50000104L244L244-S246 PolarHBondContact O-N 3.17Å
247K32.7Very low49.6Very low263 Ų263146.3 Ų146.3100%1.14373%0.732SS**  trans-650148.5-76.6-174.1174.1-176.50108.1K245K245-K247 VanDerWaalsContact C-N 3.26Å; K245-K247 PolarHBondContact O-N 3.38Å

Retrieved 247 of 247 residues in 359.3 ms (Link to these results)

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