A0A077ZBA9_TRITR Loading...

Protein rme isoform c protein rme isoform b pro tein rme isoform a

AlphaFold DB , UniProt , Accession A0A077ZBA9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 550 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
1M35.7Very low35.1Very low232 Ų232165.1 Ų165.1100%1.14384%0.84SS**  056.10-163.3-176-103.600109.1S3M1-S3 PolarHBondContact O-N 3.05Å
2F39Very low35Very low189 Ų189168 Ų16883%0.82984%0.842SS**  trans-94.899.7-172.5-74.7-76.9000109.8F4F2-F4 HydrophobicContact CB-CD2 4.32Å; F2-F4 HydrophobicContact CD1-CE2 4.09Å; F2-F4 PolarHBondContact O-N 2.67Å
3S34.1Very low34.9Very low105 Ų105170.5 Ų170.573%0.73485%0.845SS**  trans-73.2108.8159.71710000107.7M1M1-S3 PolarHBondContact O-N 3.05Å
4F36.4Very low34.4Very low184 Ų184170.6 Ų170.681%0.80784%0.841SS**  trans-116.8107.9160.5-88.7-82000108.4F2F2-F4 HydrophobicContact CB-CD2 4.32Å; F2-F4 HydrophobicContact CD1-CE2 4.09Å; F2-F4 PolarHBondContact O-N 2.67Å
5M35.3Very low34.5Very low157 Ų157166.9 Ų166.977%0.77384%0.836SS**  trans-53.4134.3176.2-79.1151.148.200113.3
6N32.3Very low34.6Very low157 Ų157166 Ų16684%0.8483%0.828SS**  trans45.785.6137-67.1-12.4000118.2
7S33.2Very low34.8Very low103 Ų103163.8 Ų163.872%0.7283%0.825SS**  trans-103.5-7157.159.70000114.9A9S7-A9 PolarHBondContact O-N 3.19Å
8D34.6Very low35.3Very low152 Ų152163.3 Ų163.381%0.81381%0.813SS**G310 helixtrans-100.220.8-166.9-70-12.2000115.8K10D8-K10 VanDerWaalsContact C-N 3.31Å; D8-K10 PolarHBondContact O-N 2.87Å
9A36Very low36.4Very low97 Ų97159.3 Ų159.380%0.80280%0.797SS**G310 helixtrans-82.30.6172.700000114.4S7S7-A9 PolarHBondContact O-N 3.19Å
10K35.1Very low38.4Very low202 Ų202153.7 Ų153.788%0.87877%0.774SS**G310 helixtrans-99.811.8-170.7-93.2-172.5179179.50117.7D8D8-K10 VanDerWaalsContact C-N 3.31Å; D8-K10 PolarHBondContact O-N 2.87Å
11R34.2Very low40.5Very low238 Ų238146.7 Ų146.790%0.89874%0.739SS**  trans-134.714.3178.6-89.9-172.6176.6175.5-0.5118.4K13R11-K13 VanDerWaalsContact C-N 3.32Å; R11-K13 PolarHBondContact O-N 3.37Å; R11-K13 VanDerWaalsContact O-N 3.08Å
12K33.7Very low42.8Very low200 Ų200137 Ų13787%0.8769%0.694SS**  trans-79.988.7158.2-74.6-175.2178.6179.50108Q14K12-Q14 PolarHBondContact O-N 2.86Å
13K34.2Very low45.1Very low201 Ų201131.9 Ų131.987%0.87467%0.672SS**  trans-48.6110.4159.3-78.2-177.4174.9-177.90105.7R11R11-K13 VanDerWaalsContact C-N 3.32Å; R11-K13 PolarHBondContact O-N 3.37Å; R11-K13 VanDerWaalsContact O-N 3.08Å
14Q28.3Very low47.8Very low171 Ų171128.5 Ų128.580%0.79965%0.648SS**  trans-53129.7169.9-72.5176.6-13.500106.5K12 E16K12-Q14 PolarHBondContact O-N 2.86Å; Q14-E16 PolarHBondContact O-N 2.92Å; Q14-E16 VanDerWaalsContact O-N 3.13Å
15P35.2Very low50.4Low116 Ų116119.8 Ų119.875%0.75361%0.61SS**  trans-55.1125.6173.922.5-29.8000106.6V17P15-V17 PolarHBondContact O-N 3.4Å
16E36.9Very low53.1Low152 Ų152112.8 Ų112.871%0.7158%0.575SS**  trans-47.6109.3176.2-73.1179.5151.700107Q14 Y18Q14-E16 PolarHBondContact O-N 2.92Å; Q14-E16 VanDerWaalsContact O-N 3.13Å; E16-Y18 PolarHBondContact O-N 3.14Å
17V38.1Very low56Low128 Ų128111 Ų11178%0.77656%0.56SS**  trans-50.6117.3174.9176.10000105.2P15 V19P15-V17 PolarHBondContact O-N 3.4Å; V17-V19 VanDerWaalsContact C-N 3.31Å; V17-V19 PolarHBondContact O-N 3.24Å
18Y43Very low58.9Low156 Ų156106.9 Ų106.961%0.61253%0.531SS*.  trans-52.599.3-175.2-84.6-79.8000109.6E16 S20 H406 Q409E16-Y18 PolarHBondContact O-N 3.14Å; Y18-S20 PolarHBondContact O-N 2.73Å; Y18-H406 AromaticContact CE1-CE1 3.36Å; Y18-H406 WeakPolarHBondContact CE1-CE1 3.45Å; Y18-H406 AromaticContact CE1-CG 3.72Å; Y18-H406 AromaticContact CE1-ND1 3.26Å; Y18-H406 VanDerWaalsContact CE1-ND1 3.26Å; Y18-H406 WeakPolarHBondContact CE1-ND1 3.46Å; Y18-H406 AromaticContact CE1-NE2 3.82Å; Y18-H406 AromaticContact CZ-CE1 3.63Å; Y18-H406 AromaticContact CZ-ND1 3.63Å; Y18-H406 PolarHBondContact OH-CE1 3.25Å; Y18-H406 PolarHBondContact OH-ND1 3.4Å; Y18-Q409 PolarHBondContact OH-OE1 2.77Å
19V56.1Low61.8Low86 Ų8699.6 Ų99.652%0.52149%0.492SS..  trans-54.7127.5158.8171.20000105V17 E23 S24V17-V19 VanDerWaalsContact C-N 3.31Å; V17-V19 PolarHBondContact O-N 3.24Å; V19-E23 HydrophobicContact CB-CB 4.44Å; V19-E23 HydrophobicContact CG1-CB 3.06Å; V19-E23 HydrophobicContact CG1-CG 4.01Å; V19-S24 PolarHBondContact O-OG 3.35Å
20S77.2Confident64.7Low47 Ų4799.3 Ų99.333%0.32947%0.472SS..  trans-46.8153.5-17762.80000111.4Y18 T22 E23 S24 E410Y18-S20 PolarHBondContact O-N 2.73Å; S20-T22 PolarHBondContact O-N 3.38Å; S20-T22 VanDerWaalsContact O-N 3.14Å; S20-E23 PolarHBondContact O-N 3.14Å; S20-E23 WeakPolarHBondContact OG-CG 3.41Å; S20-E23 PolarHBondContact OG-N 3.46Å; S20-S24 PolarHBondContact O-N 2.76Å; S20-S24 PolarHBondContact O-OG 3.15Å; S20-E410 VanDerWaalsContact CA-OE1 3.29Å; S20-E410 WeakPolarHBondContact CA-OE1 3.41Å; S20-E410 VanDerWaalsContact CB-OE1 3.25Å; S20-E410 WeakPolarHBondContact CB-OE1 3.29Å
21V81.4Confident67.6Low7 Ų794.8 Ų94.84%0.04245%0.454CS..Hα-helixtrans-57-35.3179.8175.10000110S24 L25 A300 L403 H406 L407 E410V21-S24 WeakPolarHBondContact O-CB 3.3Å; V21-S24 PolarHBondContact O-N 3.25Å; V21-L25 HydrophobicContact CG1-CD1 4.24Å; V21-L25 HydrophobicContact CG1-CG 4.43Å; V21-L25 WeakPolarHBondContact O-CG 3.13Å; V21-L25 PolarHBondContact O-N 3.02Å; V21-A300 HydrophobicContact CG1-CB 4.38Å; V21-L403 HydrophobicContact CG1-CD2 4.36Å; V21-H406 HydrophobicContact CG2-CB 4.4Å; V21-L407 HydrophobicContact CB-CD2 4.34Å; V21-L407 HydrophobicContact CG1-CD2 3.85Å; V21-L407 HydrophobicContact CG1-CG 4.42Å; V21-L407 HydrophobicContact CG2-CD2 4.23Å; V21-E410 WeakPolarHBondContact CB-OE2 3.49Å; V21-E410 HydrophobicContact CG2-CB 4.21Å; V21-E410 HydrophobicContact CG2-CG 4.49Å; V21-E410 WeakPolarHBondContact CG2-OE2 3.31Å; V21-E410 PolarHBondContact N-OE1 3.01Å
22T84.8Confident70.5Confident30 Ų3086.6 Ų86.618%0.18443%0.425CS..Hα-helixtrans-57.8-48.5172.9-58.90000113.5S20 S24 L25 K26 F55S20-T22 PolarHBondContact O-N 3.38Å; S20-T22 VanDerWaalsContact O-N 3.14Å; T22-S24 VanDerWaalsContact C-N 3.29Å; T22-S24 PolarHBondContact O-N 2.91Å; T22-L25 WeakPolarHBondContact O-CB 3.27Å; T22-L25 PolarHBondContact O-N 3.04Å; T22-K26 WeakPolarHBondContact O-CG 3.1Å; T22-K26 PolarHBondContact O-N 3.27Å; T22-F55 HydrophobicContact CG2-CB 3.86Å; T22-F55 WeakPolarHBondContact CG2-O 3.4Å
23E88Confident73.6Confident80 Ų8077.1 Ų77.137%0.37438%0.384SS..Hα-helixtrans-66.8-34.8178.1-76.5-60.4135.800111.8V19 S20 K26 K27V19-E23 HydrophobicContact CB-CB 4.44Å; V19-E23 HydrophobicContact CG1-CB 3.06Å; V19-E23 HydrophobicContact CG1-CG 4.01Å; S20-E23 PolarHBondContact O-N 3.14Å; S20-E23 WeakPolarHBondContact OG-CG 3.41Å; S20-E23 PolarHBondContact OG-N 3.46Å; E23-K26 PolarHBondContact O-N 3.45Å; E23-K26 IonicContact OE1-NZ 3.49Å; E23-K26 PolarHBondContact OE1-NZ 3.45Å; E23-K27 PolarHBondContact O-N 3.3Å
24S89.2Confident76.6Confident34 Ų3469 Ų6924%0.23835%0.35CS..Hα-helixtrans-65-41.1173.3-59.70000111.5V19 S20 V21 T22 K27 V28 L403V19-S24 PolarHBondContact O-OG 3.35Å; S20-S24 PolarHBondContact O-N 2.76Å; S20-S24 PolarHBondContact O-OG 3.15Å; V21-S24 WeakPolarHBondContact O-CB 3.3Å; V21-S24 PolarHBondContact O-N 3.25Å; T22-S24 VanDerWaalsContact C-N 3.29Å; T22-S24 PolarHBondContact O-N 2.91Å; S24-K27 PolarHBondContact O-N 2.98Å; S24-V28 WeakPolarHBondContact O-CB 3.46Å; S24-V28 VanDerWaalsContact O-CG2 3.27Å; S24-V28 WeakPolarHBondContact O-CG2 3.27Å; S24-V28 PolarHBondContact O-N 3.28Å; S24-L403 VanDerWaalsContact CB-CD2 3.43Å
25L91.2Very high79.9Confident1 Ų162.8 Ų62.81%0.00532%0.324CS..Hα-helixtrans-59.8-46.7172.8-76.7167.8000111.9V21 T22 K27 V28 Y29 F55 K303 L304 L307 L403V21-L25 HydrophobicContact CG1-CD1 4.24Å; V21-L25 HydrophobicContact CG1-CG 4.43Å; V21-L25 WeakPolarHBondContact O-CG 3.13Å; V21-L25 PolarHBondContact O-N 3.02Å; T22-L25 WeakPolarHBondContact O-CB 3.27Å; T22-L25 PolarHBondContact O-N 3.04Å; L25-K27 VanDerWaalsContact C-N 3.33Å; L25-K27 PolarHBondContact O-N 2.79Å; L25-V28 PolarHBondContact O-N 3.47Å; L25-Y29 WeakPolarHBondContact O-CB 3.5Å; L25-Y29 PolarHBondContact O-N 3.43Å; L25-F55 HydrophobicContact CB-CD1 4.15Å; L25-F55 HydrophobicContact CB-CE1 4.26Å; L25-K303 HydrophobicContact CD1-CB 4.29Å; L25-L304 HydrophobicContact CD2-CB 4.19Å; L25-L304 HydrophobicContact CD2-CD1 3.7Å; L25-L307 HydrophobicContact CD2-CD2 3.72Å; L25-L403 HydrophobicContact CD2-CD1 3.68Å; L25-L403 HydrophobicContact CG-CD1 4.22Å
26K92.8Very high82.9Confident10 Ų1057.3 Ų57.34%0.04329%0.289CS..Hα-helixtrans-55.9-48.5175.8-71.9176.6-175.3176.30111.6T22 E23 Y29 K30 F55 D56T22-K26 WeakPolarHBondContact O-CG 3.1Å; T22-K26 PolarHBondContact O-N 3.27Å; E23-K26 PolarHBondContact O-N 3.45Å; E23-K26 IonicContact OE1-NZ 3.49Å; E23-K26 PolarHBondContact OE1-NZ 3.45Å; K26-Y29 PolarHBondContact O-N 3.34Å; K26-K30 WeakPolarHBondContact O-CG 3.18Å; K26-K30 PolarHBondContact O-N 2.76Å; K26-F55 HydrophobicContact CD-CB 4.08Å; K26-F55 HydrophobicContact CD-CG 4.46Å; K26-F55 VanDerWaalsContact CE-CB 3.47Å; K26-F55 HydrophobicContact CG-CB 3.49Å; K26-F55 VanDerWaalsContact CG-CB 3.49Å; K26-F55 HydrophobicContact CG-CD1 3.99Å; K26-F55 HydrophobicContact CG-CD2 3.61Å; K26-F55 HydrophobicContact CG-CE2 4.3Å; K26-F55 HydrophobicContact CG-CG 3.42Å; K26-F55 VanDerWaalsContact CG-CG 3.42Å; K26-D56 WeakPolarHBondContact CE-OD1 2.67Å; K26-D56 IonicContact NZ-OD1 3.91Å; K26-D56 PolarHBondContact NZ-OD1 3.38Å; K26-D56 IonicContact NZ-OD2 3.6Å; K26-D56 PolarHBondContact NZ-OD2 3.49Å
27K93.6Very high85.7Confident119 Ų11950.1 Ų50.152%0.51726%0.255SS..Hα-helixtrans-61.9-47.4-179.3-176.1-179.5178.4-177.20111E23 S24 L25 K30 Q31E23-K27 PolarHBondContact O-N 3.3Å; S24-K27 PolarHBondContact O-N 2.98Å; L25-K27 VanDerWaalsContact C-N 3.33Å; L25-K27 PolarHBondContact O-N 2.79Å; K27-K30 PolarHBondContact O-N 2.78Å; K27-Q31 HydrophobicContact CG-CG 4.39Å; K27-Q31 VanDerWaalsContact O-CB 3.28Å; K27-Q31 WeakPolarHBondContact O-CB 3.38Å; K27-Q31 VanDerWaalsContact O-CG 3.26Å; K27-Q31 WeakPolarHBondContact O-CG 3.27Å; K27-Q31 PolarHBondContact O-N 3.4Å
28V94Very high88.5Confident17 Ų1749.8 Ų49.810%0.10325%0.245CC..Hα-helixtrans-60.6-46.8178.3168.50000110.6S24 L25 Q31 K32 M395 D399S24-V28 WeakPolarHBondContact O-CB 3.46Å; S24-V28 VanDerWaalsContact O-CG2 3.27Å; S24-V28 WeakPolarHBondContact O-CG2 3.27Å; S24-V28 PolarHBondContact O-N 3.28Å; L25-V28 PolarHBondContact O-N 3.47Å; V28-Q31 PolarHBondContact O-N 3.23Å; V28-K32 HydrophobicContact CG1-CG 4.47Å; V28-K32 VanDerWaalsContact O-CB 3.25Å; V28-K32 WeakPolarHBondContact O-CB 3.3Å; V28-K32 WeakPolarHBondContact O-CG 3.29Å; V28-K32 PolarHBondContact O-N 3.49Å; V28-M395 HydrophobicContact CG1-CG 3.4Å; V28-M395 VanDerWaalsContact CG1-CG 3.4Å; V28-M395 HydrophobicContact CG1-SD 3.48Å; V28-M395 WeakPolarHBondContact CG1-SD 3.15Å; V28-D399 HydrophobicContact CG1-CB 4.36Å; V28-D399 HydrophobicContact CG2-CB 4.25Å
29Y95.7Very high91.1Very high0 Ų044 Ų440%022%0.224CC..Iπ-helixtrans-56-56.7175.8172.8-111000112.2L25 K26 Q31 L33 L34 E37 P49 L50 F55 L307L25-Y29 WeakPolarHBondContact O-CB 3.5Å; L25-Y29 PolarHBondContact O-N 3.43Å; K26-Y29 PolarHBondContact O-N 3.34Å; Y29-Q31 VanDerWaalsContact C-N 3.3Å; Y29-Q31 PolarHBondContact O-N 3.14Å; Y29-L33 HydrophobicContact CD2-CB 3.94Å; Y29-L33 HydrophobicContact CD2-CD2 3.89Å; Y29-L33 HydrophobicContact CD2-CG 4.15Å; Y29-L33 HydrophobicContact CE2-CB 4.33Å; Y29-L33 HydrophobicContact CE2-CD2 4.04Å; Y29-L33 HydrophobicContact CE2-CG 4.16Å; Y29-L33 PolarHBondContact O-N 2.88Å; Y29-L34 HydrophobicContact CE1-CB 4.2Å; Y29-L34 HydrophobicContact CE1-CD1 4.39Å; Y29-L34 HydrophobicContact CE2-CB 4.43Å; Y29-L34 PolarHBondContact O-N 3.16Å; Y29-E37 WeakPolarHBondContact CE2-OE2 3.42Å; Y29-E37 PolarHBondContact OH-OE2 3.27Å; Y29-P49 WeakPolarHBondContact OH-CA 3.28Å; Y29-L50 HydrophobicContact CD1-CB 4.13Å; Y29-L50 HydrophobicContact CD2-CD1 4.22Å; Y29-L50 HydrophobicContact CE1-CB 3.64Å; Y29-L50 HydrophobicContact CE1-CG 4.4Å; Y29-L50 WeakPolarHBondContact CE1-O 3.44Å; Y29-L50 HydrophobicContact CE2-CB 4.43Å; Y29-L50 HydrophobicContact CE2-CD1 4.12Å; Y29-L50 HydrophobicContact CE2-CG 4.34Å; Y29-L50 PolarHBondContact OH-N 3.13Å; Y29-F55 AromaticContact CD1-CE2 3.93Å; Y29-F55 HydrophobicContact CD1-CE2 3.93Å; Y29-F55 AromaticContact CD1-CZ 3.76Å; Y29-F55 HydrophobicContact CD1-CZ 3.76Å; Y29-F55 HydrophobicContact CG-CE2 4.39Å; Y29-F55 AromaticContact CG-CZ 3.74Å; Y29-F55 HydrophobicContact CG-CZ 3.74Å; Y29-L307 HydrophobicContact CD2-CD1 3.76Å; Y29-L307 HydrophobicContact CG-CD1 4.35Å
30K96.2Very high93Very high90 Ų9040 Ų4039%0.39120%0.199SC..Iπ-helixtrans-61.9-35.3-176.7-71-179.5-177.8178.40112.9K26 K27 D52K26-K30 WeakPolarHBondContact O-CG 3.18Å; K26-K30 PolarHBondContact O-N 2.76Å; K27-K30 PolarHBondContact O-N 2.78Å; K30-D52 WeakPolarHBondContact CE-OD1 3.47Å; K30-D52 IonicContact NZ-OD1 3.13Å; K30-D52 PolarHBondContact NZ-OD1 3.16Å; K30-D52 IonicContact NZ-OD2 3.89Å; K30-D52 PolarHBondContact NZ-OD2 3.41Å
31Q95.8Very high93.8Very high107 Ų10740.4 Ų40.450%0.520%0.195SC..Iπ-helixtrans-89.3-30.7-174.7-67.7-176.5-8.700113.9K27 V28 Y29 M391K27-Q31 HydrophobicContact CG-CG 4.39Å; K27-Q31 VanDerWaalsContact O-CB 3.28Å; K27-Q31 WeakPolarHBondContact O-CB 3.38Å; K27-Q31 VanDerWaalsContact O-CG 3.26Å; K27-Q31 WeakPolarHBondContact O-CG 3.27Å; K27-Q31 PolarHBondContact O-N 3.4Å; V28-Q31 PolarHBondContact O-N 3.23Å; Y29-Q31 VanDerWaalsContact C-N 3.3Å; Y29-Q31 PolarHBondContact O-N 3.14Å; Q31-M391 WeakPolarHBondContact O-CE 3.22Å
32K96Very high94.3Very high67 Ų6740.1 Ų40.129%0.29119%0.194SC..Iπ-helixtrans-112.7-44.1-169.6-56.2-65.8-170.3168.60112.9V28 M391 V392 M395V28-K32 HydrophobicContact CG1-CG 4.47Å; V28-K32 VanDerWaalsContact O-CB 3.25Å; V28-K32 WeakPolarHBondContact O-CB 3.3Å; V28-K32 WeakPolarHBondContact O-CG 3.29Å; V28-K32 PolarHBondContact O-N 3.49Å; K32-M391 HydrophobicContact CD-CB 4.46Å; K32-M391 HydrophobicContact CD-CE 4.19Å; K32-V392 WeakPolarHBondContact O-CG2 3.47Å; K32-M395 HydrophobicContact CB-CB 4.08Å; K32-M395 HydrophobicContact CB-CG 4.35Å; K32-M395 HydrophobicContact CB-SD 3.9Å; K32-M395 HydrophobicContact CG-CB 4.36Å
33L97.2Very high94.6Very high0 Ų040 Ų400%019%0.191CC..Iπ-helixtrans-95.9-47.7-172.3-176.957.4000112.9Y29 P35 L36 E37 L307 R310 A311 A314 V392 M395Y29-L33 HydrophobicContact CD2-CB 3.94Å; Y29-L33 HydrophobicContact CD2-CD2 3.89Å; Y29-L33 HydrophobicContact CD2-CG 4.15Å; Y29-L33 HydrophobicContact CE2-CB 4.33Å; Y29-L33 HydrophobicContact CE2-CD2 4.04Å; Y29-L33 HydrophobicContact CE2-CG 4.16Å; Y29-L33 PolarHBondContact O-N 2.88Å; L33-P35 VanDerWaalsContact C-CD 3.44Å; L33-P35 VanDerWaalsContact C-N 3.33Å; L33-L36 HydrophobicContact CD1-CD2 4.45Å; L33-L36 WeakPolarHBondContact O-CA 3.33Å; L33-L36 VanDerWaalsContact O-CB 3.3Å; L33-L36 WeakPolarHBondContact O-CB 3.47Å; L33-L36 PolarHBondContact O-N 2.99Å; L33-E37 HydrophobicContact CD1-CG 4.3Å; L33-E37 WeakPolarHBondContact CD2-OE1 3.39Å; L33-E37 HydrophobicContact CG-CG 4.19Å; L33-E37 WeakPolarHBondContact CG-OE1 3.33Å; L33-E37 PolarHBondContact O-N 3.32Å; L33-E37 VanDerWaalsContact O-N 3.07Å; L33-L307 HydrophobicContact CD2-CD1 3.78Å; L33-R310 HydrophobicContact CD2-CG 4.24Å; L33-A311 HydrophobicContact CD1-CB 4.08Å; L33-A311 HydrophobicContact CD2-CB 3.96Å; L33-A314 HydrophobicContact CD1-CB 3.86Å; L33-V392 HydrophobicContact CD1-CG1 4.43Å; L33-V392 HydrophobicContact CD1-CG2 4.03Å; L33-M395 HydrophobicContact CB-CE 4.29Å; L33-M395 HydrophobicContact CB-SD 4.14Å; L33-M395 HydrophobicContact CD2-CE 4.42Å
34L97.3Very high94.5Very high30 Ų3040.1 Ų40.116%0.15719%0.191CC..Hα-helixtrans-53.2-41.6-178.6179.264.8000113.5Y29 L36 E37 E38 P49Y29-L34 HydrophobicContact CE1-CB 4.2Å; Y29-L34 HydrophobicContact CE1-CD1 4.39Å; Y29-L34 HydrophobicContact CE2-CB 4.43Å; Y29-L34 PolarHBondContact O-N 3.16Å; L34-L36 VanDerWaalsContact C-N 3.26Å; L34-L36 PolarHBondContact O-N 3.2Å; L34-E37 WeakPolarHBondContact O-CB 3.33Å; L34-E37 PolarHBondContact O-N 3.42Å; L34-E37 VanDerWaalsContact O-N 3.1Å; L34-E38 HydrophobicContact CD1-CG 3.92Å; L34-E38 HydrophobicContact CG-CG 4.24Å; L34-E38 WeakPolarHBondContact O-CG 3.3Å; L34-E38 PolarHBondContact O-N 3.29Å; L34-P49 HydrophobicContact CD1-CB 3.98Å
35P97.9Very high94.4Very high41 Ų4138.5 Ų38.527%0.26618%0.18SC..Hα-helixtrans-61.9-32.1176.6-24.435.8000113.8L33 H39 L388L33-P35 VanDerWaalsContact C-CD 3.44Å; L33-P35 VanDerWaalsContact C-N 3.33Å; P35-H39 WeakPolarHBondContact O-CB 3.43Å; P35-H39 PolarHBondContact O-N 3.28Å; P35-H39 VanDerWaalsContact O-N 3.15Å; P35-L388 HydrophobicContact CB-CD2 4.09Å
36L98Very high94.2Very high1 Ų138.6 Ų38.61%0.00518%0.18CC..Hα-helixtrans-68.7-47.1173.1-174.181.2000110L33 L34 E38 H39 Y40 A314 A318 L388 I389 V392L33-L36 HydrophobicContact CD1-CD2 4.45Å; L33-L36 WeakPolarHBondContact O-CA 3.33Å; L33-L36 VanDerWaalsContact O-CB 3.3Å; L33-L36 WeakPolarHBondContact O-CB 3.47Å; L33-L36 PolarHBondContact O-N 2.99Å; L34-L36 VanDerWaalsContact C-N 3.26Å; L34-L36 PolarHBondContact O-N 3.2Å; L36-E38 PolarHBondContact O-N 3.21Å; L36-H39 PolarHBondContact O-N 3.37Å; L36-Y40 HydrophobicContact CD1-CD2 3.73Å; L36-Y40 HydrophobicContact CD1-CE2 3.46Å; L36-Y40 VanDerWaalsContact CD1-CE2 3.46Å; L36-Y40 HydrophobicContact CG-CD2 4.07Å; L36-Y40 HydrophobicContact CG-CE2 4.3Å; L36-Y40 WeakPolarHBondContact O-CD2 3.21Å; L36-Y40 PolarHBondContact O-N 2.76Å; L36-Y40 VanDerWaalsContact O-N 3.1Å; L36-A314 HydrophobicContact CD2-CB 4.06Å; L36-A318 HydrophobicContact CD1-CB 4.1Å; L36-A318 HydrophobicContact CD2-CB 4.47Å; L36-A318 HydrophobicContact CG-CB 4.41Å; L36-L388 HydrophobicContact CD1-CB 3.66Å; L36-I389 HydrophobicContact CD1-CD1 3.85Å; L36-V392 HydrophobicContact CB-CG2 4.15Å; L36-V392 HydrophobicContact CD2-CG2 3.82Å; L36-V392 HydrophobicContact CG-CG2 4.47Å
37E96.5Very high93.7Very high1 Ų138.2 Ų38.21%0.00518%0.179CC..Hα-helixtrans-58.8-48.6-178.9-68.3-179.1175.500111.9Y29 L33 L34 K41 F42 H43 R310 A314Y29-E37 WeakPolarHBondContact CE2-OE2 3.42Å; Y29-E37 PolarHBondContact OH-OE2 3.27Å; L33-E37 HydrophobicContact CD1-CG 4.3Å; L33-E37 WeakPolarHBondContact CD2-OE1 3.39Å; L33-E37 HydrophobicContact CG-CG 4.19Å; L33-E37 WeakPolarHBondContact CG-OE1 3.33Å; L33-E37 PolarHBondContact O-N 3.32Å; L33-E37 VanDerWaalsContact O-N 3.07Å; L34-E37 WeakPolarHBondContact O-CB 3.33Å; L34-E37 PolarHBondContact O-N 3.42Å; L34-E37 VanDerWaalsContact O-N 3.1Å; E37-K41 PolarHBondContact O-N 2.78Å; E37-F42 HydrophobicContact CB-CB 3.75Å; E37-F42 HydrophobicContact CB-CD1 4.23Å; E37-F42 HydrophobicContact CB-CG 4.17Å; E37-F42 HydrophobicContact CG-CB 4.04Å; E37-F42 HydrophobicContact CG-CD1 3.93Å; E37-F42 HydrophobicContact CG-CG 3.93Å; E37-F42 VanDerWaalsContact O-CB 3.3Å; E37-F42 WeakPolarHBondContact O-CB 3.1Å; E37-F42 PolarHBondContact O-N 3.18Å; E37-H43 IonicContact OE2-CE1 3.02Å; E37-H43 PolarHBondContact OE2-CE1 3.49Å; E37-H43 IonicContact OE2-NE2 3.83Å; E37-R310 WeakPolarHBondContact OE1-CD 3.48Å; E37-R310 IonicContact OE1-CZ 3.54Å; E37-R310 IonicContact OE1-NE 3.4Å; E37-R310 PolarHBondContact OE1-NE 3Å; E37-R310 IonicContact OE1-NH2 2.81Å; E37-R310 PolarHBondContact OE1-NH2 3.31Å; E37-R310 IonicContact OE2-CZ 3.44Å; E37-R310 IonicContact OE2-NE 3.93Å; E37-R310 PolarHBondContact OE2-NE 3.07Å; E37-R310 IonicContact OE2-NH2 2.84Å; E37-R310 PolarHBondContact OE2-NH2 3.2Å; E37-A314 HydrophobicContact CG-CB 4.12Å
38E96.7Very high93.4Very high122 Ų12233.1 Ų33.157%0.5716%0.158SC*.Hα-helixtrans-64.3-43.7177.2-68.7178.7159.100111.6L34 L36 Y40 K41L34-E38 HydrophobicContact CD1-CG 3.92Å; L34-E38 HydrophobicContact CG-CG 4.24Å; L34-E38 WeakPolarHBondContact O-CG 3.3Å; L34-E38 PolarHBondContact O-N 3.29Å; L36-E38 PolarHBondContact O-N 3.21Å; E38-Y40 VanDerWaalsContact C-N 3.33Å; E38-Y40 PolarHBondContact O-N 3.19Å; E38-K41 PolarHBondContact O-N 3.36Å
39H97.3Very high93.2Very high34 Ų3434.8 Ų34.816%0.15717%0.169CC..Hα-helixtrans-65-34.9-175.9-166.558.7000113.1P35 L36 N382 K385 L388P35-H39 WeakPolarHBondContact O-CB 3.43Å; P35-H39 PolarHBondContact O-N 3.28Å; P35-H39 VanDerWaalsContact O-N 3.15Å; L36-H39 PolarHBondContact O-N 3.37Å; H39-N382 VanDerWaalsContact CE1-CG 3.42Å; H39-N382 PolarHBondContact CE1-ND2 3.2Å; H39-N382 WeakPolarHBondContact NE2-CB 3.41Å; H39-N382 PolarHBondContact O-ND2 2.93Å; H39-K385 WeakPolarHBondContact CE1-CE 3.32Å; H39-K385 PolarHBondContact CE1-NZ 3.09Å; H39-K385 VanDerWaalsContact NE2-CD 3.35Å; H39-K385 WeakPolarHBondContact NE2-CD 3.35Å; H39-K385 WeakPolarHBondContact NE2-CE 3.47Å; H39-L388 HydrophobicContact CB-CD1 3.76Å
40Y96.6Very high92.9Very high2 Ų236.6 Ų36.61%0.00818%0.178CC..THydrogen-bonded Turntrans-104.119.9179-61.1-76.1000113.5L36 E38 F42 H317 A318 I321 S322 N382 L384 K385 L388L36-Y40 HydrophobicContact CD1-CD2 3.73Å; L36-Y40 HydrophobicContact CD1-CE2 3.46Å; L36-Y40 VanDerWaalsContact CD1-CE2 3.46Å; L36-Y40 HydrophobicContact CG-CD2 4.07Å; L36-Y40 HydrophobicContact CG-CE2 4.3Å; L36-Y40 WeakPolarHBondContact O-CD2 3.21Å; L36-Y40 PolarHBondContact O-N 2.76Å; L36-Y40 VanDerWaalsContact O-N 3.1Å; E38-Y40 VanDerWaalsContact C-N 3.33Å; E38-Y40 PolarHBondContact O-N 3.19Å; Y40-F42 PolarHBondContact O-N 3.08Å; Y40-F42 VanDerWaalsContact O-N 3.12Å; Y40-H317 PolarHBondContact O-CD2 3.46Å; Y40-H317 PolarHBondContact O-NE2 3.43Å; Y40-A318 HydrophobicContact CD1-CB 4.21Å; Y40-A318 HydrophobicContact CD2-CB 3.36Å; Y40-A318 HydrophobicContact CE1-CB 4.39Å; Y40-A318 HydrophobicContact CE2-CB 3.56Å; Y40-A318 HydrophobicContact CG-CB 3.69Å; Y40-I321 HydrophobicContact CD1-CB 4.34Å; Y40-I321 HydrophobicContact CD1-CG2 4.09Å; Y40-S322 WeakPolarHBondContact CE1-OG 3.44Å; Y40-N382 HydrophobicContact CE1-CB 4.48Å; Y40-L384 VanDerWaalsContact OH-CA 3.32Å; Y40-L384 WeakPolarHBondContact OH-CA 3.22Å; Y40-K385 PolarHBondContact OH-N 3.15Å; Y40-L388 HydrophobicContact CE2-CD1 4.33Å
41K93.3Very high92.6Very high56 Ų5635 Ų3524%0.24317%0.173CC..THydrogen-bonded Turntrans54.832.2176.6-64.4161.3151.3-79.40112.4E37 E38 H43 E44 F45 F381E37-K41 PolarHBondContact O-N 2.78Å; E38-K41 PolarHBondContact O-N 3.36Å; K41-H43 PolarHBondContact O-N 3.18Å; K41-H43 VanDerWaalsContact O-N 3.09Å; K41-E44 HydrophobicContact CB-CB 4.33Å; K41-E44 HydrophobicContact CB-CG 4.16Å; K41-E44 IonicContact NZ-OE1 3.6Å; K41-E44 PolarHBondContact NZ-OE1 3.49Å; K41-E44 IonicContact NZ-OE2 2.73Å; K41-E44 PolarHBondContact NZ-OE2 2.94Å; K41-E44 WeakPolarHBondContact O-CB 3.39Å; K41-E44 PolarHBondContact O-N 3.09Å; K41-F45 HydrophobicContact CB-CE2 4.4Å; K41-F45 WeakPolarHBondContact O-CD2 3.4Å; K41-F381 HydrophobicContact CD-CD1 4.23Å; K41-F381 HydrophobicContact CD-CE1 4.36Å
42F92.9Very high92.3Very high1 Ų133 Ų330%0.00417%0.165CC..Hα-helixtrans-50-41.5-175.7175.3-92000111.9E37 Y40 E44 F45 H46 R310 L313 A314 H317E37-F42 HydrophobicContact CB-CB 3.75Å; E37-F42 HydrophobicContact CB-CD1 4.23Å; E37-F42 HydrophobicContact CB-CG 4.17Å; E37-F42 HydrophobicContact CG-CB 4.04Å; E37-F42 HydrophobicContact CG-CD1 3.93Å; E37-F42 HydrophobicContact CG-CG 3.93Å; E37-F42 VanDerWaalsContact O-CB 3.3Å; E37-F42 WeakPolarHBondContact O-CB 3.1Å; E37-F42 PolarHBondContact O-N 3.18Å; Y40-F42 PolarHBondContact O-N 3.08Å; Y40-F42 VanDerWaalsContact O-N 3.12Å; F42-E44 VanDerWaalsContact C-N 3.35Å; F42-E44 PolarHBondContact O-N 2.99Å; F42-F45 PolarHBondContact O-N 3.39Å; F42-F45 VanDerWaalsContact O-N 3.16Å; F42-H46 HydrophobicContact CD1-CB 4.16Å; F42-H46 HydrophobicContact CD2-CB 4.24Å; F42-H46 AromaticContact CD2-CD2 3.38Å; F42-H46 WeakPolarHBondContact CD2-CD2 3.31Å; F42-H46 HydrophobicContact CE1-CB 3.65Å; F42-H46 HydrophobicContact CE2-CB 3.75Å; F42-H46 AromaticContact CE2-CD2 3.36Å; F42-H46 WeakPolarHBondContact CE2-CD2 3.43Å; F42-H46 AromaticContact CE2-CG 3.66Å; F42-H46 HydrophobicContact CG-CB 4.43Å; F42-H46 HydrophobicContact CZ-CB 3.43Å; F42-H46 VanDerWaalsContact CZ-CB 3.43Å; F42-H46 AromaticContact CZ-CG 3.88Å; F42-H46 PolarHBondContact O-N 3.17Å; F42-R310 HydrophobicContact CZ-CG 4.31Å; F42-L313 HydrophobicContact CE2-CD2 4.26Å; F42-L313 HydrophobicContact CE2-CG 4.07Å; F42-L313 HydrophobicContact CZ-CD2 4.23Å; F42-A314 HydrophobicContact CD2-CB 3.78Å; F42-A314 HydrophobicContact CE2-CB 3.79Å; F42-H317 HydrophobicContact CD2-CB 4.24Å
43H89.9Confident92Very high28 Ų2830.6 Ų30.613%0.1316%0.157CC..Hα-helixtrans-58.7-45.5179.4-51.8-49.7000111.3E37 K41 F45 H46 S47 P49 F185E37-H43 IonicContact OE2-CE1 3.02Å; E37-H43 PolarHBondContact OE2-CE1 3.49Å; E37-H43 IonicContact OE2-NE2 3.83Å; K41-H43 PolarHBondContact O-N 3.18Å; K41-H43 VanDerWaalsContact O-N 3.09Å; H43-F45 PolarHBondContact O-N 2.94Å; H43-H46 PolarHBondContact O-N 2.79Å; H43-S47 WeakPolarHBondContact CA-O 3.36Å; H43-S47 PolarHBondContact ND1-O 3.21Å; H43-P49 VanDerWaalsContact CE1-CA 3.41Å; H43-P49 WeakPolarHBondContact CE1-CA 3.43Å; H43-P49 VanDerWaalsContact CE1-N 3.33Å; H43-F185 HydrophobicContact CB-CE1 3.9Å; H43-F185 HydrophobicContact CB-CZ 3.87Å; H43-F185 WeakPolarHBondContact O-CE1 3.26Å; H43-F185 WeakPolarHBondContact O-CE2 3.39Å; H43-F185 WeakPolarHBondContact O-CZ 3.3Å
44E87.4Confident91.6Very high81 Ų8131.4 Ų31.438%0.37916%0.161SC..Hα-helixtrans-55.9-21.3-179.6-61.8175-161.700113.7K41 F42 H376K41-E44 HydrophobicContact CB-CB 4.33Å; K41-E44 HydrophobicContact CB-CG 4.16Å; K41-E44 IonicContact NZ-OE1 3.6Å; K41-E44 PolarHBondContact NZ-OE1 3.49Å; K41-E44 IonicContact NZ-OE2 2.73Å; K41-E44 PolarHBondContact NZ-OE2 2.94Å; K41-E44 WeakPolarHBondContact O-CB 3.39Å; K41-E44 PolarHBondContact O-N 3.09Å; F42-E44 VanDerWaalsContact C-N 3.35Å; F42-E44 PolarHBondContact O-N 2.99Å; E44-H376 IonicContact OE2-CD2 3.3Å; E44-H376 PolarHBondContact OE2-CD2 3.29Å; E44-H376 IonicContact OE2-NE2 2.76Å; E44-H376 PolarHBondContact OE2-NE2 3.47Å
45F87.2Confident91.2Very high0 Ų030.4 Ų30.40%016%0.155CC..Hα-helixtrans-108-41.8-178.7-65.2-94.4000113.3K41 F42 H43 H317 I321 R368 M369 Q372 L373 H376 F381K41-F45 HydrophobicContact CB-CE2 4.4Å; K41-F45 WeakPolarHBondContact O-CD2 3.4Å; F42-F45 PolarHBondContact O-N 3.39Å; F42-F45 VanDerWaalsContact O-N 3.16Å; H43-F45 PolarHBondContact O-N 2.94Å; F45-H317 AromaticContact CD2-CE1 3.37Å; F45-H317 WeakPolarHBondContact CD2-CE1 3.45Å; F45-H317 AromaticContact CD2-NE2 3.72Å; F45-H317 AromaticContact CG-CE1 3.46Å; F45-H317 VanDerWaalsContact CG-CE1 3.46Å; F45-H317 WeakPolarHBondContact CG-CE1 3.35Å; F45-I321 HydrophobicContact CE2-CD1 4.06Å; F45-I321 HydrophobicContact CZ-CD1 3.97Å; F45-R368 PolarHBondContact O-NH2 3.16Å; F45-M369 HydrophobicContact CB-SD 4.46Å; F45-M369 HydrophobicContact CD1-CE 4.42Å; F45-M369 HydrophobicContact CD1-SD 4.02Å; F45-Q372 HydrophobicContact CD1-CB 3.83Å; F45-Q372 HydrophobicContact CE1-CB 4.09Å; F45-Q372 PolarHBondContact O-NE2 3.36Å; F45-Q372 PolarHBondContact O-OE1 3.35Å; F45-L373 HydrophobicContact CE1-CD2 3.65Å; F45-L373 HydrophobicContact CE1-CG 4.06Å; F45-L373 HydrophobicContact CZ-CD2 4Å; F45-H376 AromaticContact CE1-ND1 3.93Å; F45-H376 HydrophobicContact CZ-CB 4.35Å; F45-H376 AromaticContact CZ-CD2 3.94Å; F45-H376 AromaticContact CZ-CE1 3.89Å; F45-H376 AromaticContact CZ-CG 3.74Å; F45-H376 AromaticContact CZ-ND1 3.72Å; F45-F381 HydrophobicContact CZ-CE1 4.36Å; F45-F381 HydrophobicContact CZ-CZ 4Å
46H85.7Confident90.8Very high4 Ų432.8 Ų32.82%0.01917%0.166CC..SBendtrans-108.7-82.6-164.1-61.8-62.3000113.2F42 H43 H317 R368F42-H46 HydrophobicContact CD1-CB 4.16Å; F42-H46 HydrophobicContact CD2-CB 4.24Å; F42-H46 AromaticContact CD2-CD2 3.38Å; F42-H46 WeakPolarHBondContact CD2-CD2 3.31Å; F42-H46 HydrophobicContact CE1-CB 3.65Å; F42-H46 HydrophobicContact CE2-CB 3.75Å; F42-H46 AromaticContact CE2-CD2 3.36Å; F42-H46 WeakPolarHBondContact CE2-CD2 3.43Å; F42-H46 AromaticContact CE2-CG 3.66Å; F42-H46 HydrophobicContact CG-CB 4.43Å; F42-H46 HydrophobicContact CZ-CB 3.43Å; F42-H46 VanDerWaalsContact CZ-CB 3.43Å; F42-H46 AromaticContact CZ-CG 3.88Å; F42-H46 PolarHBondContact O-N 3.17Å; H43-H46 PolarHBondContact O-N 2.79Å; H46-H317 AromaticContact CD2-CG 3.8Å; H46-H317 AromaticContact CD2-ND1 3.65Å; H46-H317 AromaticContact NE2-CE1 3.67Å; H46-H317 AromaticContact NE2-CG 3.4Å; H46-H317 AromaticContact NE2-ND1 2.95Å; H46-H317 PolarHBondContact NE2-ND1 2.72Å; H46-R368 PolarHBondContact O-NH2 3.01Å
47S83.7Confident90.4Very high2 Ų233.8 Ų33.81%0.01417%0.174CC..  trans-153.4157.1-172.561.50000110.9H43 R310H43-S47 WeakPolarHBondContact CA-O 3.36Å; H43-S47 PolarHBondContact ND1-O 3.21Å; S47-R310 PolarHBondContact OG-NH1 2.9Å
48P86.1Confident90.1Very high12 Ų1237.1 Ų37.18%0.07819%0.189CC..PPolyproline II helixtrans-64.1163.4-173.921.7-25.8000111.2P124 F185 R310P48-P124 HydrophobicContact CG-CB 4.15Å; P48-P124 HydrophobicContact CG-CG 4.28Å; P48-F185 HydrophobicContact CB-CD1 3.56Å; P48-F185 HydrophobicContact CB-CE1 3.91Å; P48-F185 WeakPolarHBondContact CD-O 3.23Å; P48-F185 HydrophobicContact CG-CD1 3.79Å; P48-R310 PolarHBondContact O-NH1 3.32Å; P48-R310 PolarHBondContact O-NH2 3.49Å
49P89.7Confident89.9Confident51 Ų5131.8 Ų31.833%0.33116%0.164SC..PPolyproline II helixtrans-58.8145.2168.226.8-33.6000109.8Y29 L34 H43Y29-P49 WeakPolarHBondContact OH-CA 3.28Å; L34-P49 HydrophobicContact CD1-CB 3.98Å; H43-P49 VanDerWaalsContact CE1-CA 3.41Å; H43-P49 WeakPolarHBondContact CE1-CA 3.43Å; H43-P49 VanDerWaalsContact CE1-N 3.33Å
50L89.8Confident89.7Confident38 Ų3830.2 Ų30.220%0.19916%0.157CC..PPolyproline II helixtrans-75.3127.1173.7-59.6173000108.8Y29 D54 F55 L307Y29-L50 HydrophobicContact CD1-CB 4.13Å; Y29-L50 HydrophobicContact CD2-CD1 4.22Å; Y29-L50 HydrophobicContact CE1-CB 3.64Å; Y29-L50 HydrophobicContact CE1-CG 4.4Å; Y29-L50 WeakPolarHBondContact CE1-O 3.44Å; Y29-L50 HydrophobicContact CE2-CB 4.43Å; Y29-L50 HydrophobicContact CE2-CD1 4.12Å; Y29-L50 HydrophobicContact CE2-CG 4.34Å; Y29-L50 PolarHBondContact OH-N 3.13Å; L50-D54 WeakPolarHBondContact CA-OD2 3.39Å; L50-D54 HydrophobicContact CD2-CB 4.37Å; L50-F55 HydrophobicContact CB-CE2 3.55Å; L50-F55 HydrophobicContact CB-CZ 3.84Å; L50-F55 HydrophobicContact CD1-CE1 4.37Å; L50-F55 HydrophobicContact CD1-CE2 4.28Å; L50-F55 HydrophobicContact CD1-CZ 3.71Å; L50-F55 HydrophobicContact CG-CZ 4.44Å; L50-L307 HydrophobicContact CD1-CD1 4.32Å
51E89.1Confident89.6Confident58 Ų5830.1 Ų30.127%0.27116%0.157SC..PPolyproline II helixtrans-95.3162.5175.1-62.3-174.8163.600110P53 D54 F55 R123E51-P53 VanDerWaalsContact C-CD 3.41Å; E51-P53 VanDerWaalsContact C-N 3.31Å; E51-D54 PolarHBondContact N-OD2 2.76Å; E51-D54 VanDerWaalsContact O-CB 3.26Å; E51-D54 WeakPolarHBondContact O-CB 3.45Å; E51-D54 PolarHBondContact O-N 2.99Å; E51-F55 WeakPolarHBondContact O-CD2 3.46Å; E51-R123 IonicContact OE1-NH1 3.35Å; E51-R123 PolarHBondContact OE1-NH1 3.01Å
52D90.7Very high89.6Confident63 Ų6327.6 Ų27.634%0.33715%0.146SC..Hα-helixtrans-53.9-39.5-179.5-67.6-24.9000114K30 D54 F55 D56K30-D52 WeakPolarHBondContact CE-OD1 3.47Å; K30-D52 IonicContact NZ-OD1 3.13Å; K30-D52 PolarHBondContact NZ-OD1 3.16Å; K30-D52 IonicContact NZ-OD2 3.89Å; K30-D52 PolarHBondContact NZ-OD2 3.41Å; D52-D54 PolarHBondContact O-N 3.3Å; D52-F55 PolarHBondContact O-N 2.92Å; D52-F55 VanDerWaalsContact O-N 3.09Å; D52-D56 PolarHBondContact O-N 2.96Å
53P89.5Confident89.7Confident18 Ų1827.5 Ų27.512%0.11715%0.146CC..Hα-helixtrans-59.5-25.9174.1-25.735.7000114.9E51 F55 D56 A57 T118 Q121E51-P53 VanDerWaalsContact C-CD 3.41Å; E51-P53 VanDerWaalsContact C-N 3.31Å; P53-F55 VanDerWaalsContact C-N 3.29Å; P53-D56 PolarHBondContact O-N 3.02Å; P53-A57 VanDerWaalsContact O-CB 3.27Å; P53-A57 WeakPolarHBondContact O-CB 3.48Å; P53-A57 PolarHBondContact O-N 3.01Å; P53-T118 WeakPolarHBondContact CG-O 3.44Å; P53-Q121 HydrophobicContact CB-CB 4.37Å
54D88.2Confident89.8Confident16 Ų1626.3 Ų26.39%0.08614%0.14CC..Hα-helixtrans-67.8-35.8177.9-58.6-29.6000110.3L50 E51 D52 Q121 R191 K303L50-D54 WeakPolarHBondContact CA-OD2 3.39Å; L50-D54 HydrophobicContact CD2-CB 4.37Å; E51-D54 PolarHBondContact N-OD2 2.76Å; E51-D54 VanDerWaalsContact O-CB 3.26Å; E51-D54 WeakPolarHBondContact O-CB 3.45Å; E51-D54 PolarHBondContact O-N 2.99Å; D52-D54 PolarHBondContact O-N 3.3Å; D54-Q121 WeakPolarHBondContact OD1-CB 3.36Å; D54-R191 IonicContact OD1-CZ 3.91Å; D54-R191 IonicContact OD1-NH1 2.66Å; D54-R191 PolarHBondContact OD1-NH1 2.93Å; D54-R191 IonicContact OD1-NH2 3.92Å; D54-R191 PolarHBondContact OD1-NH2 3.27Å; D54-R191 IonicContact OD2-CZ 3.93Å; D54-R191 IonicContact OD2-NH1 2.91Å; D54-R191 IonicContact OD2-NH2 3.23Å; D54-R191 PolarHBondContact OD2-NH2 3.34Å; D54-K303 PolarHBondContact O-NZ 3.06Å
55F89.4Confident89.9Confident10 Ų1022.5 Ų22.54%0.04412%0.122CC..Hα-helixtrans-79.7-33.5175.6-62.8-87.1000112.2T22 L25 K26 Y29 L50 E51 D52 P53 K303T22-F55 HydrophobicContact CG2-CB 3.86Å; T22-F55 WeakPolarHBondContact CG2-O 3.4Å; L25-F55 HydrophobicContact CB-CD1 4.15Å; L25-F55 HydrophobicContact CB-CE1 4.26Å; K26-F55 HydrophobicContact CD-CB 4.08Å; K26-F55 HydrophobicContact CD-CG 4.46Å; K26-F55 VanDerWaalsContact CE-CB 3.47Å; K26-F55 HydrophobicContact CG-CB 3.49Å; K26-F55 VanDerWaalsContact CG-CB 3.49Å; K26-F55 HydrophobicContact CG-CD1 3.99Å; K26-F55 HydrophobicContact CG-CD2 3.61Å; K26-F55 HydrophobicContact CG-CE2 4.3Å; K26-F55 HydrophobicContact CG-CG 3.42Å; K26-F55 VanDerWaalsContact CG-CG 3.42Å; Y29-F55 AromaticContact CD1-CE2 3.93Å; Y29-F55 HydrophobicContact CD1-CE2 3.93Å; Y29-F55 AromaticContact CD1-CZ 3.76Å; Y29-F55 HydrophobicContact CD1-CZ 3.76Å; Y29-F55 HydrophobicContact CG-CE2 4.39Å; Y29-F55 AromaticContact CG-CZ 3.74Å; Y29-F55 HydrophobicContact CG-CZ 3.74Å; L50-F55 HydrophobicContact CB-CE2 3.55Å; L50-F55 HydrophobicContact CB-CZ 3.84Å; L50-F55 HydrophobicContact CD1-CE1 4.37Å; L50-F55 HydrophobicContact CD1-CE2 4.28Å; L50-F55 HydrophobicContact CD1-CZ 3.71Å; L50-F55 HydrophobicContact CG-CZ 4.44Å; E51-F55 WeakPolarHBondContact O-CD2 3.46Å; D52-F55 PolarHBondContact O-N 2.92Å; D52-F55 VanDerWaalsContact O-N 3.09Å; P53-F55 VanDerWaalsContact C-N 3.29Å; F55-K303 VanDerWaalsContact C-NZ 3.26Å; F55-K303 PolarHBondContact O-NZ 3.46Å
56D89.3Confident89.9Confident91 Ų9123.5 Ų23.549%0.48713%0.127SC..Hα-helixtrans-84.5-14.6-179-66.9-30.1000114.5K26 D52 P53 K58K26-D56 WeakPolarHBondContact CE-OD1 2.67Å; K26-D56 IonicContact NZ-OD1 3.91Å; K26-D56 PolarHBondContact NZ-OD1 3.38Å; K26-D56 IonicContact NZ-OD2 3.6Å; K26-D56 PolarHBondContact NZ-OD2 3.49Å; D52-D56 PolarHBondContact O-N 2.96Å; P53-D56 PolarHBondContact O-N 3.02Å; D56-K58 PolarHBondContact O-N 3.2Å
57A88.7Confident89.8Confident22 Ų2226 Ų2618%0.18214%0.137CC..PPolyproline II helixtrans-57.6138.3-178.500000111.8P53 Q121 K303P53-A57 VanDerWaalsContact O-CB 3.27Å; P53-A57 WeakPolarHBondContact O-CB 3.48Å; P53-A57 PolarHBondContact O-N 3.01Å; A57-Q121 HydrophobicContact CB-CG 4.25Å; A57-Q121 VanDerWaalsContact CB-OE1 3.22Å; A57-K303 PolarHBondContact O-NZ 3.47Å
58K90.7Very high89.8Confident71 Ų7128.2 Ų28.231%0.30915%0.152SC..PPolyproline II helixtrans-61.6153.2167.5-66.6176-179.1177.20109.8D56 M60 L146 K147D56-K58 PolarHBondContact O-N 3.2Å; K58-M60 PolarHBondContact O-N 3.04Å; K58-L146 PolarHBondContact NZ-O 2.8Å; K58-K147 WeakPolarHBondContact CE-O 3.44Å; K58-K147 VanDerWaalsContact NZ-C 3.34Å; K58-K147 PolarHBondContact NZ-O 2.72Å
59P92.3Very high89.9Confident9 Ų927.8 Ų27.86%0.05815%0.149CC..PPolyproline II helixtrans-53.9134.7175.7-3.2-2000111.8S148 L149 T150 D193 L295 P296 A299P59-S148 WeakPolarHBondContact CD-O 3.48Å; P59-L149 HydrophobicContact CB-CD2 3.76Å; P59-L149 HydrophobicContact CG-CD2 3.89Å; P59-T150 PolarHBondContact O-N 3.42Å; P59-D193 WeakPolarHBondContact CA-OD2 2.79Å; P59-D193 HydrophobicContact CB-CB 4.12Å; P59-L295 HydrophobicContact CB-CB 4.1Å; P59-L295 HydrophobicContact CG-CB 4.43Å; P59-P296 HydrophobicContact CG-CB 4.33Å; P59-P296 HydrophobicContact CG-CG 4.3Å; P59-A299 HydrophobicContact CG-CB 3.95Å
60M93.1Very high89.9Confident1 Ų125.8 Ų25.81%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-112.7130.1-174-176-176.2-75.700111.4K58 F122 T150 V152 F188 V192 D193 R194K58-M60 PolarHBondContact O-N 3.04Å; M60-F122 HydrophobicContact CE-CE1 3.65Å; M60-F122 HydrophobicContact CE-CZ 3.65Å; M60-T150 CarbonylContact C-O 3.39Å; M60-T150 VanDerWaalsContact CA-O 3.27Å; M60-T150 WeakPolarHBondContact CA-O 3.26Å; M60-T150 HydrophobicContact CE-CG2 3.86Å; M60-T150 HydrophobicContact CG-CG2 4.28Å; M60-V152 HydrophobicContact CE-CG2 4.18Å; M60-V152 HydrophobicContact CG-CG2 3.73Å; M60-V152 HydrophobicContact SD-CG2 3.53Å; M60-V152 VanDerWaalsContact SD-CG2 3.53Å; M60-F188 HydrophobicContact SD-CD1 4.02Å; M60-F188 HydrophobicContact SD-CE1 4.22Å; M60-V192 HydrophobicContact CB-CB 4.43Å; M60-V192 HydrophobicContact CB-CG1 4.23Å; M60-V192 HydrophobicContact CG-CB 4.42Å; M60-V192 HydrophobicContact CG-CG1 3.75Å; M60-V192 HydrophobicContact SD-CG1 3.55Å; M60-V192 VanDerWaalsContact SD-CG1 3.55Å; M60-D193 PolarHBondContact N-OD2 3.14Å; M60-D193 PolarHBondContact O-N 3.34Å; M60-R194 PolarHBondContact O-N 3.18Å; M60-R194 VanDerWaalsContact O-N 3.14Å
61I94.7Very high90Very high1 Ų124.5 Ų24.51%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-104.2124.6174-57.1170.4000108.2L63 L149 T150 I151 V152 R194 I196 L292 L295I61-L63 HydrophobicContact CG2-CD2 3.86Å; I61-L149 HydrophobicContact CD1-CD1 3.8Å; I61-T150 PolarHBondContact N-O 3.16Å; I61-I151 HydrophobicContact CD1-CG1 4.48Å; I61-I151 CarbonylContact O-C 3.53Å; I61-I151 WeakPolarHBondContact O-CA 3.06Å; I61-V152 PolarHBondContact O-N 3.41Å; I61-R194 CarbonylContact C-O 3.54Å; I61-R194 WeakPolarHBondContact CA-O 3.37Å; I61-R194 HydrophobicContact CG1-CB 4.27Å; I61-I196 HydrophobicContact CG2-CD1 3.65Å; I61-I196 HydrophobicContact CG2-CG1 3.9Å; I61-L292 HydrophobicContact CD1-CD2 3.94Å; I61-L295 HydrophobicContact CD1-CD1 3.71Å; I61-L295 HydrophobicContact CG1-CD1 3.61Å
62L94.1Very high90.1Very high2 Ų222.3 Ų22.31%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-102120173.3-178.768.1000110V64 V152 T154 L175 F188 V192 R194 I195 I196L62-V64 HydrophobicContact CD2-CG2 3.96Å; L62-V64 HydrophobicContact CG-CG2 3.85Å; L62-V152 HydrophobicContact CD1-CB 3.8Å; L62-V152 HydrophobicContact CD1-CG1 3.62Å; L62-T154 HydrophobicContact CD1-CG2 3.49Å; L62-T154 VanDerWaalsContact CD1-CG2 3.49Å; L62-T154 HydrophobicContact CG-CG2 4.36Å; L62-L175 HydrophobicContact CD1-CD2 4.42Å; L62-L175 HydrophobicContact CD2-CD2 4.28Å; L62-F188 HydrophobicContact CD1-CB 4.48Å; L62-F188 HydrophobicContact CD2-CB 4.17Å; L62-V192 HydrophobicContact CB-CB 4.29Å; L62-V192 HydrophobicContact CB-CG1 3.77Å; L62-V192 HydrophobicContact CB-CG2 4.3Å; L62-R194 PolarHBondContact N-O 3.47Å; L62-I195 HydrophobicContact CB-CG1 4.41Å; L62-I195 HydrophobicContact CD2-CG1 4.41Å; L62-I195 CarbonylContact O-C 3.08Å; L62-I195 WeakPolarHBondContact O-CA 3.5Å; L62-I196 PolarHBondContact O-N 2.77Å
63L94.2Very high90.1Very high0 Ų020.8 Ų20.80%011%0.114CC..EExtended strand (participates in β ladder)trans-94.4124173.6-55.2-170.7000110.2I61 K71 F74 I75 I151 V152 T154 I196 L198I61-L63 HydrophobicContact CG2-CD2 3.86Å; L63-K71 HydrophobicContact CB-CB 4.42Å; L63-K71 HydrophobicContact CB-CD 4.47Å; L63-K71 HydrophobicContact CB-CG 4.37Å; L63-K71 HydrophobicContact CD1-CB 4.42Å; L63-F74 HydrophobicContact CD1-CD1 3.85Å; L63-F74 HydrophobicContact CD2-CD1 4.09Å; L63-F74 HydrophobicContact CD2-CE1 4.12Å; L63-I75 HydrophobicContact CD1-CD1 3.72Å; L63-I75 HydrophobicContact CD1-CG1 3.36Å; L63-I151 HydrophobicContact CD1-CG2 4.25Å; L63-I151 HydrophobicContact CG-CG2 4.18Å; L63-V152 PolarHBondContact N-O 2.73Å; L63-T154 VanDerWaalsContact O-CB 3.32Å; L63-T154 WeakPolarHBondContact O-CB 3.42Å; L63-T154 WeakPolarHBondContact O-CG2 3.45Å; L63-T154 PolarHBondContact O-OG1 3.33Å; L63-I196 HydrophobicContact CD2-CB 3.69Å; L63-I196 HydrophobicContact CD2-CD1 3.78Å; L63-I196 HydrophobicContact CD2-CG1 4.07Å; L63-I196 HydrophobicContact CD2-CG2 4.3Å; L63-L198 HydrophobicContact CB-CD1 4.11Å; L63-L198 HydrophobicContact CD2-CD1 4.07Å; L63-L198 HydrophobicContact CG-CD1 4.47Å
64V91.4Very high90.4Very high3 Ų319.9 Ų19.92%0.01811%0.109CC..EExtended strand (participates in β ladder)trans-127.7138.8178.7-173.20000109.3L62 T154 I157 L175 I195 I196 L197 L198 F210 C213L62-V64 HydrophobicContact CD2-CG2 3.96Å; L62-V64 HydrophobicContact CG-CG2 3.85Å; V64-T154 HydrophobicContact CG2-CG2 4.5Å; V64-I157 HydrophobicContact CG1-CD1 3.78Å; V64-L175 HydrophobicContact CG1-CD1 4.05Å; V64-L175 HydrophobicContact CG2-CD2 4.32Å; V64-I195 HydrophobicContact CG2-CG2 4.4Å; V64-I196 PolarHBondContact N-O 3.21Å; V64-L197 HydrophobicContact CB-CD2 3.85Å; V64-L197 HydrophobicContact CG1-CD2 4.34Å; V64-L197 CarbonylContact O-C 3.59Å; V64-L197 WeakPolarHBondContact O-CA 2.76Å; V64-L198 PolarHBondContact O-N 3.43Å; V64-F210 HydrophobicContact CG1-CE2 4.11Å; V64-C213 HydrophobicContact CG1-CB 4.47Å
65G90.1Very high90.6Very high0 Ų019.1 Ų19.10%011%0.105CC..EExtended strand (participates in β ladder)trans171.916217800000112.5K71 I157G65-K71 PolarHBondContact O-NZ 2.57Å; G65-I157 PolarHBondContact O-N 3.2Å
66Q88.5Confident90.8Very high22 Ų2222.6 Ų22.610%0.10312%0.117CC..BIsolated β-bridgetrans-63.5175.9177.9-72.1171.2-77.600112.8S68 T69 K71 I157 D205 S207 F210Q66-S68 PolarHBondContact O-N 3.47Å; Q66-T69 HydrophobicContact CB-CG2 4.06Å; Q66-T69 WeakPolarHBondContact O-CG2 3.29Å; Q66-T69 PolarHBondContact O-OG1 2.77Å; Q66-T69 VanDerWaalsContact O-OG1 3.14Å; Q66-K71 PolarHBondContact O-NZ 2.97Å; Q66-I157 HydrophobicContact CG-CB 4.12Å; Q66-D205 VanDerWaalsContact CD-O 3.3Å; Q66-D205 PolarHBondContact NE2-O 3.12Å; Q66-D205 PolarHBondContact OE1-O 3.38Å; Q66-S207 PolarHBondContact NE2-OG 2.48Å; Q66-F210 HydrophobicContact CG-CB 4.02Å; Q66-F210 HydrophobicContact CG-CD1 3.84Å; Q66-F210 HydrophobicContact CG-CE1 4.48Å; Q66-F210 HydrophobicContact CG-CG 4.04Å
67Y83Confident90.9Very high57 Ų5720.5 Ų20.522%0.22410%0.103CC..THydrogen-bonded Turntrans-57.2142.9175.4-77.8-86.8000111.7T69 P92 G156 I157 L158Y67-T69 PolarHBondContact O-N 2.94Å; Y67-P92 HydrophobicContact CD1-CB 4.16Å; Y67-P92 HydrophobicContact CE1-CB 3.56Å; Y67-P92 HydrophobicContact CE1-CG 4.35Å; Y67-G156 WeakPolarHBondContact CE2-O 3.44Å; Y67-G156 PolarHBondContact OH-O 2.77Å; Y67-G156 VanDerWaalsContact OH-O 3.12Å; Y67-I157 WeakPolarHBondContact CD2-O 3.46Å; Y67-I157 VanDerWaalsContact CE2-C 3.45Å; Y67-I157 PolarHBondContact N-O 2.68Å; Y67-L158 HydrophobicContact CD2-CD2 3.83Å; Y67-L158 HydrophobicContact CD2-CG 4.31Å; Y67-L158 HydrophobicContact CE1-CD2 4.39Å; Y67-L158 HydrophobicContact CE2-CB 3.98Å; Y67-L158 HydrophobicContact CE2-CD2 3.05Å; Y67-L158 HydrophobicContact CE2-CG 3.3Å; Y67-L158 WeakPolarHBondContact OH-CD2 3.35Å; Y67-L158 WeakPolarHBondContact OH-CG 3.37Å
68S83.9Confident91Very high47 Ų4719.6 Ų19.633%0.32910%0.095SC..THydrogen-bonded Turntrans60.617.8170.8-470000114.4Q66 G70 K230Q66-S68 PolarHBondContact O-N 3.47Å; S68-G70 PolarHBondContact O-N 3.04Å; S68-K230 WeakPolarHBondContact O-CE 3.31Å; S68-K230 PolarHBondContact O-NZ 3.41Å
69T87.4Confident91Very high3 Ų316.5 Ų16.52%0.0188%0.082CC..SBendtrans-73.4-6.3170.960.30000113.3Q66 Y67 L198 D200 N229Q66-T69 HydrophobicContact CB-CG2 4.06Å; Q66-T69 WeakPolarHBondContact O-CG2 3.29Å; Q66-T69 PolarHBondContact O-OG1 2.77Å; Q66-T69 VanDerWaalsContact O-OG1 3.14Å; Y67-T69 PolarHBondContact O-N 2.94Å; T69-L198 WeakPolarHBondContact CG2-O 3.41Å; T69-D200 HydrophobicContact CG2-CB 4.2Å; T69-N229 PolarHBondContact O-ND2 3.46Å
70G89.8Confident90.8Very high10 Ų1021.6 Ų21.610%0.10311%0.105CC..SBendtrans9123.9175.800000115.5S68 T73 F74S68-G70 PolarHBondContact O-N 3.04Å; G70-T73 PolarHBondContact O-N 2.95Å; G70-F74 VanDerWaalsContact O-CB 3.24Å; G70-F74 WeakPolarHBondContact O-CB 3.4Å; G70-F74 PolarHBondContact O-N 2.8Å
71K91.9Very high90.6Very high11 Ų1123.5 Ų23.55%0.04812%0.118CC..Hα-helixtrans-53.8-57.5177.1-63.6179.8-67.9-62.60113.1L63 G65 Q66 T73 F74 I75 D153 T154 L198L63-K71 HydrophobicContact CB-CB 4.42Å; L63-K71 HydrophobicContact CB-CD 4.47Å; L63-K71 HydrophobicContact CB-CG 4.37Å; L63-K71 HydrophobicContact CD1-CB 4.42Å; G65-K71 PolarHBondContact O-NZ 2.57Å; Q66-K71 PolarHBondContact O-NZ 2.97Å; K71-T73 VanDerWaalsContact C-N 3.32Å; K71-T73 PolarHBondContact O-N 3.43Å; K71-F74 WeakPolarHBondContact O-CB 3.29Å; K71-F74 PolarHBondContact O-N 3.44Å; K71-I75 WeakPolarHBondContact O-CG1 3.33Å; K71-I75 PolarHBondContact O-N 3.19Å; K71-I75 VanDerWaalsContact O-N 3.08Å; K71-D153 WeakPolarHBondContact CB-OD1 3.08Å; K71-T154 WeakPolarHBondContact CE-O 3.21Å; K71-L198 HydrophobicContact CG-CB 4.4Å; K71-L198 HydrophobicContact CG-CD1 4.15Å
72T91.9Very high90.5Very high11 Ų1128.2 Ų28.27%0.06714%0.144CC..Hα-helixtrans-63.3-39.2179.6-49.90000111.6I75 R76 F83 M86 I88 T94 D153T72-I75 PolarHBondContact O-N 3.3Å; T72-R76 PolarHBondContact O-N 3.44Å; T72-F83 HydrophobicContact CG2-CE1 4.16Å; T72-F83 HydrophobicContact CG2-CZ 3.8Å; T72-M86 HydrophobicContact CG2-CB 3.89Å; T72-M86 HydrophobicContact CG2-CG 4.36Å; T72-M86 HydrophobicContact CG2-SD 4.05Å; T72-I88 HydrophobicContact CG2-CD1 4.2Å; T72-I88 HydrophobicContact CG2-CG1 3.66Å; T72-T94 PolarHBondContact OG1-OG1 3Å; T72-D153 WeakPolarHBondContact CB-OD2 3.2Å; T72-D153 PolarHBondContact OG1-OD2 2.85Å
73T91.1Very high90.4Very high31 Ų3128.4 Ų28.419%0.1915%0.145CC..Hα-helixtrans-62.1-41.5174.1-51.50000111.8G70 K71 I75 R76 Y77 W268G70-T73 PolarHBondContact O-N 2.95Å; K71-T73 VanDerWaalsContact C-N 3.32Å; K71-T73 PolarHBondContact O-N 3.43Å; T73-I75 VanDerWaalsContact C-N 3.34Å; T73-I75 PolarHBondContact O-N 3.32Å; T73-R76 PolarHBondContact O-N 2.92Å; T73-Y77 WeakPolarHBondContact O-CB 3.28Å; T73-Y77 PolarHBondContact O-N 3.39Å; T73-W268 HydrophobicContact CG2-CB 3.83Å
74F94.5Very high90.2Very high0 Ų029.9 Ų29.90%015%0.154CC..Hα-helixtrans-62.1-40.9176.3-179.5-98.5000111.3L63 G70 K71 Y77 L78 I196 L198 F267 L288 L292L63-F74 HydrophobicContact CD1-CD1 3.85Å; L63-F74 HydrophobicContact CD2-CD1 4.09Å; L63-F74 HydrophobicContact CD2-CE1 4.12Å; G70-F74 VanDerWaalsContact O-CB 3.24Å; G70-F74 WeakPolarHBondContact O-CB 3.4Å; G70-F74 PolarHBondContact O-N 2.8Å; K71-F74 WeakPolarHBondContact O-CB 3.29Å; K71-F74 PolarHBondContact O-N 3.44Å; F74-Y77 WeakPolarHBondContact O-CB 3.06Å; F74-Y77 PolarHBondContact O-N 3.5Å; F74-L78 HydrophobicContact CD1-CD1 3.96Å; F74-L78 HydrophobicContact CD1-CG 4.33Å; F74-L78 HydrophobicContact CE1-CD1 3.41Å; F74-L78 VanDerWaalsContact CE1-CD1 3.41Å; F74-L78 HydrophobicContact CE1-CG 4.01Å; F74-L78 HydrophobicContact CZ-CD1 3.85Å; F74-L78 HydrophobicContact CZ-CD2 4.22Å; F74-L78 HydrophobicContact CZ-CG 4.13Å; F74-L78 WeakPolarHBondContact O-CG 3.19Å; F74-L78 PolarHBondContact O-N 3.1Å; F74-I196 HydrophobicContact CE1-CD1 3.95Å; F74-I196 HydrophobicContact CZ-CD1 4.25Å; F74-L198 HydrophobicContact CB-CD2 4.08Å; F74-L198 HydrophobicContact CG-CD2 4.32Å; F74-F267 HydrophobicContact CD2-CB 3.48Å; F74-F267 VanDerWaalsContact CD2-CB 3.48Å; F74-F267 HydrophobicContact CD2-CD1 4.04Å; F74-F267 HydrophobicContact CD2-CD2 4.01Å; F74-F267 AromaticContact CD2-CG 3.56Å; F74-F267 HydrophobicContact CD2-CG 3.56Å; F74-F267 HydrophobicContact CE2-CB 4.04Å; F74-F267 AromaticContact CE2-CD1 3.68Å; F74-F267 HydrophobicContact CE2-CD1 3.68Å; F74-F267 HydrophobicContact CE2-CD2 4.09Å; F74-F267 HydrophobicContact CE2-CE1 4.14Å; F74-F267 AromaticContact CE2-CG 3.64Å; F74-F267 HydrophobicContact CE2-CG 3.64Å; F74-L288 HydrophobicContact CE2-CD2 3.85Å; F74-L288 HydrophobicContact CZ-CD2 3.87Å; F74-L292 HydrophobicContact CZ-CD1 4.31Å
75I93.7Very high89.9Confident0 Ų031.6 Ų31.60%017%0.172CC..Hα-helixtrans-63.4-49.9173.9-59.6177.9000110.7L63 K71 T72 T73 Y77 L78 L79 F83 V100 I151 D153L63-I75 HydrophobicContact CD1-CD1 3.72Å; L63-I75 HydrophobicContact CD1-CG1 3.36Å; K71-I75 WeakPolarHBondContact O-CG1 3.33Å; K71-I75 PolarHBondContact O-N 3.19Å; K71-I75 VanDerWaalsContact O-N 3.08Å; T72-I75 PolarHBondContact O-N 3.3Å; T73-I75 VanDerWaalsContact C-N 3.34Å; T73-I75 PolarHBondContact O-N 3.32Å; I75-Y77 PolarHBondContact O-N 3.44Å; I75-L78 PolarHBondContact O-N 2.85Å; I75-L79 HydrophobicContact CG2-CD1 3.65Å; I75-L79 HydrophobicContact CG2-CG 4.11Å; I75-L79 WeakPolarHBondContact O-CB 3.23Å; I75-L79 VanDerWaalsContact O-CG 3.31Å; I75-L79 WeakPolarHBondContact O-CG 3.39Å; I75-L79 PolarHBondContact O-N 3.02Å; I75-F83 HydrophobicContact CB-CE1 3.76Å; I75-F83 HydrophobicContact CB-CZ 4.39Å; I75-F83 HydrophobicContact CD1-CE1 4.45Å; I75-F83 HydrophobicContact CD1-CZ 4.25Å; I75-F83 HydrophobicContact CG2-CD1 3.75Å; I75-F83 HydrophobicContact CG2-CE1 3.45Å; I75-F83 VanDerWaalsContact CG2-CE1 3.45Å; I75-F83 HydrophobicContact CG2-CZ 4.18Å; I75-V100 HydrophobicContact CD1-CG2 4.46Å; I75-V100 HydrophobicContact CG2-CG2 4.41Å; I75-I151 HydrophobicContact CD1-CG2 3.77Å; I75-I151 HydrophobicContact CG1-CG2 3.86Å; I75-I151 HydrophobicContact CG2-CD1 4.45Å; I75-D153 HydrophobicContact CD1-CB 3.46Å; I75-D153 VanDerWaalsContact CD1-CB 3.46Å
76R91.8Very high89.7Confident82 Ų8233.2 Ų33.231%0.30918%0.18SC..Hα-helixtrans-55.9-40.2177.2-179.1179.6174.1-123.2-26.5111.2T72 T73 L79 E80 S81 D82 M86 D269T72-R76 PolarHBondContact O-N 3.44Å; T73-R76 PolarHBondContact O-N 2.92Å; R76-L79 PolarHBondContact O-N 2.88Å; R76-E80 WeakPolarHBondContact O-CA 3.45Å; R76-E80 PolarHBondContact O-N 3.42Å; R76-S81 PolarHBondContact O-N 3.1Å; R76-D82 WeakPolarHBondContact CD-OD1 3.37Å; R76-D82 IonicContact CZ-OD1 3.21Å; R76-D82 IonicContact NE-OD1 3.32Å; R76-D82 PolarHBondContact NE-OD1 3.28Å; R76-M86 HydrophobicContact CB-CE 4.27Å; R76-M86 HydrophobicContact CG-CE 4.29Å; R76-D269 IonicContact CZ-OD2 3.63Å; R76-D269 IonicContact NH1-OD2 3.44Å; R76-D269 IonicContact NH2-OD2 2.62Å; R76-D269 PolarHBondContact NH2-OD2 3.38Å
77Y91.2Very high89.1Confident48 Ų4839.4 Ų39.419%0.18820%0.203CC..Hα-helixtrans-63.1-51.2175.6-174.7-109.5000111.8T73 F74 I75 L79 E80 F267 Q285 F289 A425T73-Y77 WeakPolarHBondContact O-CB 3.28Å; T73-Y77 PolarHBondContact O-N 3.39Å; F74-Y77 WeakPolarHBondContact O-CB 3.06Å; F74-Y77 PolarHBondContact O-N 3.5Å; I75-Y77 PolarHBondContact O-N 3.44Å; Y77-L79 VanDerWaalsContact C-N 3.28Å; Y77-L79 PolarHBondContact O-N 3.19Å; Y77-E80 PolarHBondContact O-N 3.28Å; Y77-F267 HydrophobicContact CD1-CB 3.84Å; Y77-F267 HydrophobicContact CD1-CD1 4.19Å; Y77-F267 HydrophobicContact CE1-CB 4.25Å; Y77-F267 HydrophobicContact CE1-CD1 4.02Å; Y77-F267 HydrophobicContact CG-CB 4.35Å; Y77-Q285 PolarHBondContact OH-NE2 3.19Å; Y77-F289 HydrophobicContact CD1-CZ 4.32Å; Y77-F289 HydrophobicContact CE1-CE1 4.49Å; Y77-F289 AromaticContact CE1-CZ 3.7Å; Y77-F289 HydrophobicContact CE1-CZ 3.7Å; Y77-A425 HydrophobicContact CD1-CB 4.47Å; Y77-A425 HydrophobicContact CE1-CB 4.3Å
78L92Very high88.7Confident2 Ų240.7 Ų40.71%0.0121%0.213CC..Hα-helixtrans-60.2-37.1177.9-71-175.4000113.1F74 I75 I151 F289 L292 G424 A425 F426F74-L78 HydrophobicContact CD1-CD1 3.96Å; F74-L78 HydrophobicContact CD1-CG 4.33Å; F74-L78 HydrophobicContact CE1-CD1 3.41Å; F74-L78 VanDerWaalsContact CE1-CD1 3.41Å; F74-L78 HydrophobicContact CE1-CG 4.01Å; F74-L78 HydrophobicContact CZ-CD1 3.85Å; F74-L78 HydrophobicContact CZ-CD2 4.22Å; F74-L78 HydrophobicContact CZ-CG 4.13Å; F74-L78 WeakPolarHBondContact O-CG 3.19Å; F74-L78 PolarHBondContact O-N 3.1Å; I75-L78 PolarHBondContact O-N 2.85Å; L78-I151 HydrophobicContact CD1-CD1 4.29Å; L78-F289 HydrophobicContact CD2-CD1 4.28Å; L78-F289 HydrophobicContact CD2-CE1 3.57Å; L78-F289 HydrophobicContact CD2-CZ 4.09Å; L78-L292 HydrophobicContact CD1-CD1 4.13Å; L78-L292 HydrophobicContact CD2-CD1 4.45Å; L78-G424 WeakPolarHBondContact O-CA 3.37Å; L78-A425 PolarHBondContact O-N 3.28Å; L78-A425 VanDerWaalsContact O-N 3.15Å; L78-F426 HydrophobicContact CB-CE2 4.35Å; L78-F426 HydrophobicContact CD1-CZ 4.49Å; L78-F426 HydrophobicContact CD2-CE1 4.48Å; L78-F426 HydrophobicContact CD2-CE2 4.01Å; L78-F426 HydrophobicContact CD2-CZ 3.74Å
79L91.2Very high88Confident6 Ų639.7 Ų39.73%0.03121%0.21CC..Hα-helixtrans-87.1-11.7-178-60.1-178000113.7I75 R76 Y77 S81 F83 V100 L141 V145 L146 I151I75-L79 HydrophobicContact CG2-CD1 3.65Å; I75-L79 HydrophobicContact CG2-CG 4.11Å; I75-L79 WeakPolarHBondContact O-CB 3.23Å; I75-L79 VanDerWaalsContact O-CG 3.31Å; I75-L79 WeakPolarHBondContact O-CG 3.39Å; I75-L79 PolarHBondContact O-N 3.02Å; R76-L79 PolarHBondContact O-N 2.88Å; Y77-L79 VanDerWaalsContact C-N 3.28Å; Y77-L79 PolarHBondContact O-N 3.19Å; L79-S81 PolarHBondContact O-N 3.15Å; L79-S81 PolarHBondContact O-OG 3.1Å; L79-F83 HydrophobicContact CD1-CD1 4.34Å; L79-V100 HydrophobicContact CD1-CG1 3.97Å; L79-L141 HydrophobicContact CD1-CD1 4.4Å; L79-V145 HydrophobicContact CD2-CB 3.75Å; L79-V145 HydrophobicContact CD2-CG1 3.81Å; L79-V145 HydrophobicContact CD2-CG2 4.34Å; L79-L146 HydrophobicContact CD1-CD1 4.3Å; L79-L146 HydrophobicContact CD2-CD1 4.25Å; L79-L146 HydrophobicContact CD2-CD2 3.94Å; L79-L146 HydrophobicContact CD2-CG 3.81Å; L79-I151 HydrophobicContact CD2-CD1 4.47Å
80E87.7Confident86.7Confident116 Ų11645.4 Ų45.454%0.54225%0.247SC..THydrogen-bonded Turntrans48.522.8-168.1-66.7175.5172.500114.1R76 Y77 G424 A425R76-E80 WeakPolarHBondContact O-CA 3.45Å; R76-E80 PolarHBondContact O-N 3.42Å; Y77-E80 PolarHBondContact O-N 3.28Å; E80-G424 VanDerWaalsContact CD-CA 3.48Å; E80-G424 WeakPolarHBondContact OE2-CA 3.45Å; E80-A425 PolarHBondContact OE1-N 2.91Å
81S89.3Confident85.4Confident41 Ų4151.9 Ų51.929%0.28727%0.274SS..SBendtrans-153.6154.8-171.251.80000110.9R76 L79R76-S81 PolarHBondContact O-N 3.1Å; L79-S81 PolarHBondContact O-N 3.15Å; L79-S81 PolarHBondContact O-OG 3.1Å
82D91.5Very high83.9Confident101 Ų10155.7 Ų55.754%0.5430%0.3SS..  trans-78.1140.6173.5-73.1-4.6000110.6R76 M86R76-D82 WeakPolarHBondContact CD-OD1 3.37Å; R76-D82 IonicContact CZ-OD1 3.21Å; R76-D82 IonicContact NE-OD1 3.32Å; R76-D82 PolarHBondContact NE-OD1 3.28Å; D82-M86 HydrophobicContact CB-CE 3.55Å; D82-M86 WeakPolarHBondContact OD1-CE 3.49Å
83F92.6Very high82.3Confident6 Ų657 Ų573%0.02631%0.308CS..  trans-110.3144.2175.362.9-90.7000111.8T72 I75 L79 G85 M86 I98 V100 L141T72-F83 HydrophobicContact CG2-CE1 4.16Å; T72-F83 HydrophobicContact CG2-CZ 3.8Å; I75-F83 HydrophobicContact CB-CE1 3.76Å; I75-F83 HydrophobicContact CB-CZ 4.39Å; I75-F83 HydrophobicContact CD1-CE1 4.45Å; I75-F83 HydrophobicContact CD1-CZ 4.25Å; I75-F83 HydrophobicContact CG2-CD1 3.75Å; I75-F83 HydrophobicContact CG2-CE1 3.45Å; I75-F83 VanDerWaalsContact CG2-CE1 3.45Å; I75-F83 HydrophobicContact CG2-CZ 4.18Å; L79-F83 HydrophobicContact CD1-CD1 4.34Å; F83-G85 PolarHBondContact O-N 3.07Å; F83-M86 HydrophobicContact CD1-CB 4.29Å; F83-M86 HydrophobicContact CD1-CE 3.64Å; F83-M86 HydrophobicContact CD2-CB 3.94Å; F83-M86 HydrophobicContact CE1-CB 3.95Å; F83-M86 HydrophobicContact CE1-CE 3.89Å; F83-M86 HydrophobicContact CE1-SD 4.46Å; F83-M86 HydrophobicContact CE2-CB 3.59Å; F83-M86 HydrophobicContact CG-CB 4.29Å; F83-M86 HydrophobicContact CG-CE 4.22Å; F83-M86 HydrophobicContact CZ-CB 3.63Å; F83-M86 WeakPolarHBondContact O-CB 3.36Å; F83-M86 PolarHBondContact O-N 3.15Å; F83-I98 HydrophobicContact CD2-CG2 4.4Å; F83-I98 HydrophobicContact CE2-CD1 4.17Å; F83-I98 HydrophobicContact CE2-CG2 4.04Å; F83-V100 HydrophobicContact CB-CG1 4.17Å; F83-V100 HydrophobicContact CD2-CG2 3.82Å; F83-V100 HydrophobicContact CE2-CG2 3.85Å; F83-V100 HydrophobicContact CG-CG1 4.28Å; F83-V100 HydrophobicContact CG-CG2 4.21Å; F83-V100 HydrophobicContact CZ-CG2 4.25Å; F83-L141 HydrophobicContact CB-CD1 3.98Å; F83-L141 HydrophobicContact CB-CD2 3.88Å
84P90.6Very high81Confident30 Ų3056.2 Ų56.220%0.19530%0.303CS..THydrogen-bonded Turntrans-54.3133.4-180-29.234.8000113.6M86 D106 T108 S139P84-M86 VanDerWaalsContact C-N 3.31Å; P84-M86 PolarHBondContact O-N 3.48Å; P84-D106 HydrophobicContact CG-CB 4.05Å; P84-T108 HydrophobicContact CB-CG2 3.55Å; P84-S139 VanDerWaalsContact CD-OG 3.24Å; P84-S139 WeakPolarHBondContact CD-OG 3.38Å; P84-S139 VanDerWaalsContact O-CB 3.24Å; P84-S139 WeakPolarHBondContact O-CB 3.43Å; P84-S139 PolarHBondContact O-OG 3.46Å
85G84.7Confident80.1Confident39 Ų3958.9 Ų58.940%0.40232%0.318SS..THydrogen-bonded Turntrans81.32.6178.500000115.1F83F83-G85 PolarHBondContact O-N 3.07Å
86M85.1Confident79.8Confident34 Ų3462.9 Ų62.917%0.16733%0.333CS..  trans-64.9148.9169.8102.6158.97400111T72 R76 D82 F83 P84 I88T72-M86 HydrophobicContact CG2-CB 3.89Å; T72-M86 HydrophobicContact CG2-CG 4.36Å; T72-M86 HydrophobicContact CG2-SD 4.05Å; R76-M86 HydrophobicContact CB-CE 4.27Å; R76-M86 HydrophobicContact CG-CE 4.29Å; D82-M86 HydrophobicContact CB-CE 3.55Å; D82-M86 WeakPolarHBondContact OD1-CE 3.49Å; F83-M86 HydrophobicContact CD1-CB 4.29Å; F83-M86 HydrophobicContact CD1-CE 3.64Å; F83-M86 HydrophobicContact CD2-CB 3.94Å; F83-M86 HydrophobicContact CE1-CB 3.95Å; F83-M86 HydrophobicContact CE1-CE 3.89Å; F83-M86 HydrophobicContact CE1-SD 4.46Å; F83-M86 HydrophobicContact CE2-CB 3.59Å; F83-M86 HydrophobicContact CG-CB 4.29Å; F83-M86 HydrophobicContact CG-CE 4.22Å; F83-M86 HydrophobicContact CZ-CB 3.63Å; F83-M86 WeakPolarHBondContact O-CB 3.36Å; F83-M86 PolarHBondContact O-N 3.15Å; P84-M86 VanDerWaalsContact C-N 3.31Å; P84-M86 PolarHBondContact O-N 3.48Å; M86-I88 HydrophobicContact SD-CD1 3.55Å; M86-I88 VanDerWaalsContact SD-CD1 3.55Å; M86-I88 HydrophobicContact SD-CG1 3.82Å
87R76.4Confident79.7Confident153 Ų15359 Ų5958%0.57732%0.318SS*.  trans-140.4118.5165.7-66.1-176.1175.2-170.6-4.3108.5T93R87-T93 HydrophobicContact CB-CG2 4.45Å; R87-T93 PolarHBondContact O-OG1 3.01Å
88I73.5Confident79.8Confident84 Ų8456.9 Ų56.943%0.43131%0.31SS..  trans-109.2124.7174.6-60.9175.1000107.8T72 M86T72-I88 HydrophobicContact CG2-CD1 4.2Å; T72-I88 HydrophobicContact CG2-CG1 3.66Å; M86-I88 HydrophobicContact SD-CD1 3.55Å; M86-I88 VanDerWaalsContact SD-CD1 3.55Å; M86-I88 HydrophobicContact SD-CG1 3.82Å
89G70.4Confident79.9Confident26 Ų2656.8 Ų56.827%0.26831%0.309SS..  trans-170.4164.1174.600000111.7E91 T93G89-E91 PolarHBondContact O-N 2.82Å; G89-T93 PolarHBondContact O-OG1 3.14Å
90P60.2Low80.1Confident123 Ų12356.5 Ų56.580%0.79931%0.308SS*.SBendtrans-69.1-25.4179.628.2-34.2000112.8
91E62.8Low80.4Confident145 Ų14551.7 Ų51.768%0.67829%0.286SS*.SBendtrans-76.2165.7176.4-63.3178.3-179.900111.8G89 T93G89-E91 PolarHBondContact O-N 2.82Å; E91-T93 VanDerWaalsContact C-N 3.25Å; E91-T93 WeakPolarHBondContact O-CG2 3.35Å; E91-T93 PolarHBondContact O-N 3.23Å; E91-T93 PolarHBondContact O-OG1 3.05Å
92P59.9Low80.7Confident92 Ų9252.8 Ų52.860%0.59728%0.284SS*.SBendtrans-59.984.6171.7-20.633.2000111.6Y67Y67-P92 HydrophobicContact CD1-CB 4.16Å; Y67-P92 HydrophobicContact CE1-CB 3.56Å; Y67-P92 HydrophobicContact CE1-CG 4.35Å
93T57.9Low80.8Confident37 Ų3748.3 Ų48.323%0.22726%0.262CS..  trans-93.3-45.3-170.336.80000112.3R87 G89 E91 D95R87-T93 HydrophobicContact CB-CG2 4.45Å; R87-T93 PolarHBondContact O-OG1 3.01Å; G89-T93 PolarHBondContact O-OG1 3.14Å; E91-T93 VanDerWaalsContact C-N 3.25Å; E91-T93 WeakPolarHBondContact O-CG2 3.35Å; E91-T93 PolarHBondContact O-N 3.23Å; E91-T93 PolarHBondContact O-OG1 3.05Å; T93-D95 PolarHBondContact O-N 3.28Å
94T63.2Low80.7Confident15 Ų1555.9 Ų55.99%0.09230%0.297CS..  trans-87.897.7176.1-47.10000110.4T72 R96 P155T72-T94 PolarHBondContact OG1-OG1 3Å; T94-R96 WeakPolarHBondContact CG2-O 3.31Å; T94-P155 WeakPolarHBondContact O-CA 3.23Å
95D76.9Confident80.8Confident57 Ų5762 Ų6231%0.30532%0.324SS..  trans-100.5-2.2175.769.2-40.9000113.4T93T93-D95 PolarHBondContact O-N 3.28Å
96R86.7Confident81.2Confident84 Ų8465.6 Ų65.632%0.31733%0.333SS..SBendtrans-120.6150.1-174.3-50.9-172.7-172.7153.50.2112.9T94 I98 R135 Q137 P155T94-R96 WeakPolarHBondContact CG2-O 3.31Å; R96-I98 HydrophobicContact CB-CG1 4.38Å; R96-R135 CarbonylContact C-O 3.53Å; R96-R135 WeakPolarHBondContact CA-O 3.16Å; R96-R135 WeakPolarHBondContact CB-O 3.43Å; R96-R135 HydrophobicContact CG-CB 4.34Å; R96-Q137 VanDerWaalsContact NH1-OE1 3.1Å; R96-P155 WeakPolarHBondContact O-CD 3.18Å
97F89.8Confident81.6Confident0 Ų065.1 Ų65.10%034%0.337CS..EExtended strand (participates in β ladder)trans-76.3120.8162-75.4-98.1000108.7F132 R135 F136 Q137 D153 T154 P155 Y169 F171 V174 L175F97-F132 HydrophobicContact CD2-CD2 4.48Å; F97-F132 AromaticContact CD2-CE2 3.63Å; F97-F132 HydrophobicContact CD2-CE2 3.63Å; F97-F132 HydrophobicContact CD2-CZ 4.44Å; F97-F132 AromaticContact CE2-CE2 3.93Å; F97-F132 HydrophobicContact CE2-CE2 3.93Å; F97-F132 HydrophobicContact CG-CE2 4.16Å; F97-R135 PolarHBondContact N-O 3.3Å; F97-F136 HydrophobicContact CB-CD2 3.73Å; F97-F136 HydrophobicContact CB-CE2 4.42Å; F97-F136 WeakPolarHBondContact O-CA 3.31Å; F97-Q137 PolarHBondContact O-N 2.66Å; F97-D153 WeakPolarHBondContact CA-O 3.4Å; F97-T154 HydrophobicContact CD1-CG2 3.95Å; F97-T154 HydrophobicContact CE1-CG2 3.72Å; F97-P155 HydrophobicContact CD2-CG 3.77Å; F97-P155 HydrophobicContact CE2-CG 3.81Å; F97-P155 HydrophobicContact CG-CG 4.4Å; F97-P155 HydrophobicContact CZ-CG 4.48Å; F97-Y169 AromaticContact CE2-CE2 3.77Å; F97-Y169 HydrophobicContact CE2-CE2 3.77Å; F97-Y169 AromaticContact CE2-CZ 3.98Å; F97-Y169 WeakPolarHBondContact CE2-OH 3.45Å; F97-F171 HydrophobicContact CE1-CE2 4.27Å; F97-F171 AromaticContact CE2-CD2 3.63Å; F97-F171 HydrophobicContact CE2-CD2 3.63Å; F97-F171 AromaticContact CE2-CE2 3.76Å; F97-F171 HydrophobicContact CE2-CE2 3.76Å; F97-F171 AromaticContact CZ-CD2 3.5Å; F97-F171 HydrophobicContact CZ-CD2 3.5Å; F97-F171 VanDerWaalsContact CZ-CD2 3.5Å; F97-F171 AromaticContact CZ-CE2 3.38Å; F97-F171 HydrophobicContact CZ-CE2 3.38Å; F97-F171 HydrophobicContact CZ-CZ 4.34Å; F97-V174 HydrophobicContact CD1-CG1 4.25Å; F97-V174 HydrophobicContact CE1-CG1 3.67Å; F97-V174 HydrophobicContact CE2-CB 4.42Å; F97-V174 HydrophobicContact CE2-CG1 3.97Å; F97-V174 HydrophobicContact CZ-CB 4Å; F97-V174 HydrophobicContact CZ-CG1 3.51Å; F97-L175 HydrophobicContact CE1-CD2 3.79Å; F97-L175 HydrophobicContact CE1-CG 4.43Å; F97-L175 HydrophobicContact CZ-CD2 4.25Å; F97-L175 HydrophobicContact CZ-CG 4.42Å
98I92.6Very high82.4Confident3 Ų361.6 Ų61.62%0.01533%0.333CS..EExtended strand (participates in β ladder)trans-116.1113.4-178.7-49-178.9000108.6F83 R96 V100 Q137 V152 D153F83-I98 HydrophobicContact CD2-CG2 4.4Å; F83-I98 HydrophobicContact CE2-CD1 4.17Å; F83-I98 HydrophobicContact CE2-CG2 4.04Å; R96-I98 HydrophobicContact CB-CG1 4.38Å; I98-V100 HydrophobicContact CG2-CG2 4.02Å; I98-Q137 CarbonylContact C-O 3.47Å; I98-Q137 WeakPolarHBondContact CA-O 3.27Å; I98-Q137 HydrophobicContact CB-CG 4.31Å; I98-Q137 VanDerWaalsContact CD1-NE2 3.3Å; I98-Q137 HydrophobicContact CG1-CG 3.91Å; I98-Q137 HydrophobicContact CG2-CG 4.15Å; I98-V152 WeakPolarHBondContact O-CA 3.46Å; I98-D153 HydrophobicContact CB-CB 4.15Å; I98-D153 PolarHBondContact N-O 3.28Å; I98-D153 PolarHBondContact O-N 2.81Å
99V94.2Very high83.4Confident0 Ų059.6 Ų59.60%032%0.323CS..EExtended strand (participates in β ladder)trans-88.1106.7170-171.60000108.2M101 F122 F136 Q137 C138 S139 T150 I151 V152V99-M101 HydrophobicContact CG1-CG 3.58Å; V99-M101 HydrophobicContact CG1-SD 3.89Å; V99-F122 HydrophobicContact CB-CZ 4.21Å; V99-F122 HydrophobicContact CG1-CE1 4.24Å; V99-F122 HydrophobicContact CG1-CE2 3.94Å; V99-F122 HydrophobicContact CG1-CZ 3.43Å; V99-F122 VanDerWaalsContact CG1-CZ 3.43Å; V99-F122 HydrophobicContact CG2-CE1 4.02Å; V99-F122 HydrophobicContact CG2-CE2 4.44Å; V99-F122 HydrophobicContact CG2-CZ 3.93Å; V99-F136 HydrophobicContact CG2-CE2 3.44Å; V99-F136 VanDerWaalsContact CG2-CE2 3.44Å; V99-F136 HydrophobicContact CG2-CZ 3.79Å; V99-Q137 PolarHBondContact N-O 3.03Å; V99-C138 HydrophobicContact CB-CB 4.36Å; V99-C138 CarbonylContact O-C 3.53Å; V99-C138 VanDerWaalsContact O-CA 3.23Å; V99-C138 WeakPolarHBondContact O-CA 3.17Å; V99-C138 PolarHBondContact O-SG 3.31Å; V99-S139 PolarHBondContact O-N 3.44Å; V99-T150 HydrophobicContact CG1-CG2 3.53Å; V99-I151 CarbonylContact C-O 3.58Å; V99-V152 HydrophobicContact CG1-CG2 4.35Å; V99-V152 HydrophobicContact CG2-CG2 4.37Å
100V95.9Very high84.5Confident0 Ų062.2 Ų62.20%034%0.335CS..EExtended strand (participates in β ladder)trans-87.1115.6177.3-167.80000108.9I75 L79 F83 I98 S139 L141 L146 I151I75-V100 HydrophobicContact CD1-CG2 4.46Å; I75-V100 HydrophobicContact CG2-CG2 4.41Å; L79-V100 HydrophobicContact CD1-CG1 3.97Å; F83-V100 HydrophobicContact CB-CG1 4.17Å; F83-V100 HydrophobicContact CD2-CG2 3.82Å; F83-V100 HydrophobicContact CE2-CG2 3.85Å; F83-V100 HydrophobicContact CG-CG1 4.28Å; F83-V100 HydrophobicContact CG-CG2 4.21Å; F83-V100 HydrophobicContact CZ-CG2 4.25Å; I98-V100 HydrophobicContact CG2-CG2 4.02Å; V100-S139 CarbonylContact C-O 3.58Å; V100-S139 WeakPolarHBondContact CA-O 3.31Å; V100-L141 HydrophobicContact CG1-CD2 3.61Å; V100-L146 HydrophobicContact CG1-CD1 3.73Å; V100-L146 HydrophobicContact CG1-CD2 4.16Å; V100-I151 HydrophobicContact CB-CB 4.48Å; V100-I151 PolarHBondContact N-O 2.87Å; V100-I151 PolarHBondContact O-N 3.12Å; V100-I151 VanDerWaalsContact O-N 3.07Å
101M94.9Very high85.9Confident16 Ų1656.4 Ų56.48%0.07930%0.297CS..EExtended strand (participates in β ladder)trans-130.8157.7-172.9-61-170.273.300111.2V99 G103 F122 C138 S139 Q140 L141 T150V99-M101 HydrophobicContact CG1-CG 3.58Å; V99-M101 HydrophobicContact CG1-SD 3.89Å; M101-G103 PolarHBondContact O-N 2.81Å; M101-F122 HydrophobicContact SD-CE2 3.87Å; M101-F122 HydrophobicContact SD-CZ 4.44Å; M101-C138 VanDerWaalsContact SD-SG 3.68Å; M101-S139 PolarHBondContact N-O 2.99Å; M101-Q140 VanDerWaalsContact O-CA 3.32Å; M101-Q140 WeakPolarHBondContact O-CA 3.49Å; M101-L141 PolarHBondContact O-N 2.89Å; M101-T150 HydrophobicContact CG-CG2 3.87Å
102Y94.6Very high87.3Confident63 Ų6352.5 Ų52.525%0.24728%0.281CS..EExtended strand (participates in β ladder)trans-64.8135.4168.9176.8-98.2000111.4E104 D142 L146 K147Y102-E104 HydrophobicContact CE1-CG 4.47Å; Y102-D142 VanDerWaalsContact CE2-OD1 3.3Å; Y102-D142 WeakPolarHBondContact CE2-OD1 3.33Å; Y102-L146 VanDerWaalsContact CB-O 3.29Å; Y102-L146 WeakPolarHBondContact CB-O 3.48Å; Y102-K147 HydrophobicContact CD2-CD 4.47Å; Y102-K147 HydrophobicContact CD2-CG 3.5Å; Y102-K147 VanDerWaalsContact CD2-CG 3.5Å; Y102-K147 HydrophobicContact CE2-CD 4Å; Y102-K147 HydrophobicContact CE2-CG 3.49Å; Y102-K147 VanDerWaalsContact CE2-CG 3.49Å; Y102-K147 HydrophobicContact CG-CG 4.14Å
103G93.1Very high88.8Confident8 Ų850.3 Ų50.38%0.08227%0.27CS..  trans-146.3153.1163.400000109.8M101 Q105 L141 D142M101-G103 PolarHBondContact O-N 2.81Å; G103-Q105 PolarHBondContact O-N 3.46Å; G103-L141 PolarHBondContact N-O 3.08Å; G103-L141 CarbonylContact O-C 3.56Å; G103-D142 VanDerWaalsContact O-CA 3.27Å; G103-D142 WeakPolarHBondContact O-CA 3.17Å; G103-D142 PolarHBondContact O-N 2.9Å; G103-D142 VanDerWaalsContact O-N 3.07Å
104E91.8Very high90.4Very high164 Ų16448.6 Ų48.677%0.76626%0.26SS*.SBendtrans-70.2-17.8176.8-64.2176.7178.700112.5Y102Y102-E104 HydrophobicContact CE1-CG 4.47Å
105Q91.5Very high91.6Very high160 Ų16048.2 Ų48.275%0.74826%0.258SS*.SBendtrans-133.8144.8178.6-66.2-178.9-2.500109.5G103 G107G103-Q105 PolarHBondContact O-N 3.46Å; Q105-G107 PolarHBondContact O-N 2.69Å
106D92.9Very high92.2Very high113 Ų11350.6 Ų50.660%0.60427%0.274SS*.  trans-66.6127.8174.9-70.37.7000110.2P84 Q140 L141P84-D106 HydrophobicContact CG-CB 4.05Å; D106-Q140 CarbonylContact C-O 3.59Å; D106-Q140 VanDerWaalsContact CA-O 3.25Å; D106-Q140 WeakPolarHBondContact CA-O 3.32Å; D106-L141 VanDerWaalsContact OD1-CA 3.3Å; D106-L141 WeakPolarHBondContact OD1-CA 3.14Å; D106-L141 VanDerWaalsContact OD1-CB 3.27Å; D106-L141 WeakPolarHBondContact OD1-CB 3.32Å
107G94.1Very high92.3Very high24 Ų2449 Ų4925%0.24727%0.272CS..EExtended strand (participates in β ladder)trans-166.8163.2-174.700000113.6Q105 Q140Q105-G107 PolarHBondContact O-N 2.69Å; G107-Q140 PolarHBondContact N-O 3.37Å; G107-Q140 PolarHBondContact O-N 2.97Å
108T93.8Very high92Very high80 Ų8053.8 Ų53.849%0.49130%0.301SS..EExtended strand (participates in β ladder)trans-122.3134.2170.860.10000109.9P84 C138P84-T108 HydrophobicContact CB-CG2 3.55Å; T108-C138 CarbonylContact C-O 3.55Å; T108-C138 VanDerWaalsContact CA-O 3.29Å; T108-C138 WeakPolarHBondContact CA-O 3.41Å
109I93.8Very high91.7Very high42 Ų4261.8 Ų61.822%0.21534%0.336CS..EExtended strand (participates in β ladder)trans-109.8118.2173.3-56.5175.1000107.2A113 L114 Q137 C138 Q140I109-A113 HydrophobicContact CG2-CB 3.86Å; I109-L114 HydrophobicContact CG2-CB 4.09Å; I109-L114 HydrophobicContact CG2-CD1 4.48Å; I109-Q137 WeakPolarHBondContact O-CA 3.41Å; I109-C138 HydrophobicContact CB-CB 4.21Å; I109-C138 PolarHBondContact N-O 3Å; I109-C138 PolarHBondContact O-N 3.35Å; I109-Q140 HydrophobicContact CD1-CG 4.48Å
110P93.5Very high91.4Very high81 Ų8165.3 Ų65.353%0.52635%0.349SS..EExtended strand (participates in β ladder)trans-67.3151.2177.628.2-34000111.1N112 A113 L114P110-N112 VanDerWaalsContact C-N 3.28Å; P110-N112 PolarHBondContact O-N 2.82Å; P110-N112 VanDerWaalsContact O-N 3.17Å; P110-A113 HydrophobicContact CG-CB 4.06Å; P110-A113 PolarHBondContact O-N 2.94Å; P110-L114 PolarHBondContact O-N 2.88Å
111G90.4Very high90.9Very high0 Ų065.9 Ų65.90%035%0.352CS..Hα-helixtrans-55.5-38.5-173.400000114.2A113 L114 V115 L133 F136G111-A113 VanDerWaalsContact C-N 3.29Å; G111-A113 PolarHBondContact O-N 3.18Å; G111-L114 PolarHBondContact O-N 2.95Å; G111-L114 VanDerWaalsContact O-N 3.14Å; G111-V115 WeakPolarHBondContact O-CG1 3.22Å; G111-V115 WeakPolarHBondContact O-CG2 2.85Å; G111-V115 PolarHBondContact O-N 2.92Å; G111-L133 WeakPolarHBondContact CA-O 3.3Å; G111-F136 WeakPolarHBondContact CA-O 3.37Å; G111-F136 PolarHBondContact N-O 3.42Å
112N91.4Very high90.5Very high64 Ų6465.2 Ų65.234%0.34235%0.349SS..Hα-helixtrans-60-36.7176-71.9-44.5000113.2P110 L133 N134P110-N112 VanDerWaalsContact C-N 3.28Å; P110-N112 PolarHBondContact O-N 2.82Å; P110-N112 VanDerWaalsContact O-N 3.17Å; N112-L133 VanDerWaalsContact OD1-CB 3.28Å; N112-L133 WeakPolarHBondContact OD1-CB 3.21Å; N112-L133 WeakPolarHBondContact OD1-CD1 3.29Å; N112-N134 PolarHBondContact ND2-OD1 2.87Å
113A93Very high90.1Very high45 Ų4568.1 Ų68.137%0.37236%0.359SS..Hα-helixtrans-78.8-33.6175.500000111.5I109 P110 G111 V116I109-A113 HydrophobicContact CG2-CB 3.86Å; P110-A113 HydrophobicContact CG-CB 4.06Å; P110-A113 PolarHBondContact O-N 2.94Å; G111-A113 VanDerWaalsContact C-N 3.29Å; G111-A113 PolarHBondContact O-N 3.18Å; A113-V116 WeakPolarHBondContact O-CG2 3.13Å; A113-V116 PolarHBondContact O-N 3.38Å
114L91.3Very high89.6Confident1 Ų168.4 Ų68.41%0.00536%0.359CS..Hα-helixtrans-68.8-36.1-177.9-172.660.2000113.1I109 P110 G111 V116 D117 R120 F122 F136 C138I109-L114 HydrophobicContact CG2-CB 4.09Å; I109-L114 HydrophobicContact CG2-CD1 4.48Å; P110-L114 PolarHBondContact O-N 2.88Å; G111-L114 PolarHBondContact O-N 2.95Å; G111-L114 VanDerWaalsContact O-N 3.14Å; L114-V116 VanDerWaalsContact C-N 3.29Å; L114-V116 PolarHBondContact O-N 3.22Å; L114-D117 PolarHBondContact O-N 2.88Å; L114-R120 HydrophobicContact CD1-CG 4.42Å; L114-F122 HydrophobicContact CD1-CD2 3.81Å; L114-F122 HydrophobicContact CD1-CE2 4.4Å; L114-F122 HydrophobicContact CD2-CD2 3.86Å; L114-F122 HydrophobicContact CD2-CE2 4.42Å; L114-F122 HydrophobicContact CD2-CG 4.29Å; L114-F122 HydrophobicContact CG-CB 4.18Å; L114-F122 HydrophobicContact CG-CD2 3.75Å; L114-F122 HydrophobicContact CG-CG 4.26Å; L114-F136 HydrophobicContact CB-CE1 4.47Å; L114-F136 HydrophobicContact CD2-CD1 4.25Å; L114-F136 HydrophobicContact CD2-CE1 3.49Å; L114-F136 VanDerWaalsContact CD2-CE1 3.49Å; L114-F136 HydrophobicContact CD2-CE2 4.42Å; L114-F136 HydrophobicContact CD2-CZ 3.58Å; L114-F136 HydrophobicContact CG-CE1 4.17Å; L114-C138 HydrophobicContact CD1-CB 3.87Å; L114-C138 HydrophobicContact CD2-CB 3.49Å; L114-C138 VanDerWaalsContact CD2-CB 3.49Å; L114-C138 HydrophobicContact CG-CB 4.29Å
115V88.3Confident89.2Confident8 Ų860.6 Ų60.65%0.04832%0.323CS..THydrogen-bonded Turntrans-77.2-11.5-179.2-610000114.1G111 F122 R123 L125 L133 F136G111-V115 WeakPolarHBondContact O-CG1 3.22Å; G111-V115 WeakPolarHBondContact O-CG2 2.85Å; G111-V115 PolarHBondContact O-N 2.92Å; V115-F122 WeakPolarHBondContact CG1-O 3.39Å; V115-R123 VanDerWaalsContact O-CA 3.31Å; V115-R123 WeakPolarHBondContact O-CA 3.45Å; V115-R123 WeakPolarHBondContact O-CG 3.4Å; V115-L125 HydrophobicContact CG1-CB 4.08Å; V115-L133 HydrophobicContact CG1-CD2 3.56Å; V115-L133 HydrophobicContact CG2-CD1 4.3Å; V115-L133 HydrophobicContact CG2-CD2 4.19Å; V115-F136 HydrophobicContact CG1-CD1 4.47Å; V115-F136 HydrophobicContact CG1-CE1 4.27Å
116V89Confident88.8Confident107 Ų10755.8 Ų55.865%0.64831%0.307SS*.THydrogen-bonded Turntrans-95.2-10.3174.3-61.20000112.8A113 L114 T118A113-V116 WeakPolarHBondContact O-CG2 3.13Å; A113-V116 PolarHBondContact O-N 3.38Å; L114-V116 VanDerWaalsContact C-N 3.29Å; L114-V116 PolarHBondContact O-N 3.22Å; V116-T118 PolarHBondContact O-N 3.23Å
117D87.8Confident88.1Confident50 Ų5054.9 Ų54.927%0.26730%0.295SS..  trans-73.6107.4177.7-174-5.8000111L114 K119 R120L114-D117 PolarHBondContact O-N 2.88Å; D117-K119 PolarHBondContact O-N 2.9Å; D117-K119 VanDerWaalsContact OD1-CB 3.31Å; D117-K119 WeakPolarHBondContact OD1-CB 3.38Å; D117-K119 PolarHBondContact OD1-N 2.8Å; D117-R120 HydrophobicContact CB-CB 4.4Å; D117-R120 HydrophobicContact CB-CG 4.1Å; D117-R120 PolarHBondContact O-N 3.03Å; D117-R120 VanDerWaalsContact O-N 3.15Å; D117-R120 VanDerWaalsContact OD2-CG 3.23Å; D117-R120 WeakPolarHBondContact OD2-CG 3.46Å; D117-R120 IonicContact OD2-NE 2.65Å
118T85.1Confident87.5Confident101 Ų10154.7 Ų54.762%0.6229%0.287SS*.THydrogen-bonded Turntrans-69.5-9.6179.961.40000113.6P53 V116 R120P53-T118 WeakPolarHBondContact CG-O 3.44Å; V116-T118 PolarHBondContact O-N 3.23Å; T118-R120 VanDerWaalsContact C-N 3.3Å
119K86.2Confident87Confident171 Ų17152.3 Ų52.374%0.74328%0.279SS*.THydrogen-bonded Turntrans-86.9-3.2175.1-59.8-179.9179.6177.30112.2D117D117-K119 PolarHBondContact O-N 2.9Å; D117-K119 VanDerWaalsContact OD1-CB 3.31Å; D117-K119 WeakPolarHBondContact OD1-CB 3.38Å; D117-K119 PolarHBondContact OD1-N 2.8Å
120R87.3Confident86.7Confident73 Ų7355.5 Ų55.528%0.27530%0.296SS..SBendtrans-123.4149.7-174.5-56.9-64.9-169.6-161.27.9111.1L114 D117 T118 F122L114-R120 HydrophobicContact CD1-CG 4.42Å; D117-R120 HydrophobicContact CB-CB 4.4Å; D117-R120 HydrophobicContact CB-CG 4.1Å; D117-R120 PolarHBondContact O-N 3.03Å; D117-R120 VanDerWaalsContact O-N 3.15Å; D117-R120 VanDerWaalsContact OD2-CG 3.23Å; D117-R120 WeakPolarHBondContact OD2-CG 3.46Å; D117-R120 IonicContact OD2-NE 2.65Å; T118-R120 VanDerWaalsContact C-N 3.3Å; R120-F122 HydrophobicContact CB-CD2 3.92Å; R120-F122 HydrophobicContact CB-CE2 4.42Å; R120-F122 PolarHBondContact O-N 3.26Å; R120-F122 VanDerWaalsContact O-N 3.16Å
121Q84.3Confident86.3Confident12 Ų1253.9 Ų53.96%0.05629%0.29CS..THydrogen-bonded Turntrans-80.916.5-177.862.4177.6-3.500114.6P53 D54 A57 Y186 R191P53-Q121 HydrophobicContact CB-CB 4.37Å; D54-Q121 WeakPolarHBondContact OD1-CB 3.36Å; A57-Q121 HydrophobicContact CB-CG 4.25Å; A57-Q121 VanDerWaalsContact CB-OE1 3.22Å; Q121-Y186 WeakPolarHBondContact O-CE2 3.36Å; Q121-Y186 PolarHBondContact O-OH 2.78Å; Q121-R191 PolarHBondContact O-NH1 3.01Å
122F87.7Confident86.1Confident3 Ų353.9 Ų53.91%0.01329%0.29CS..THydrogen-bonded Turntrans-98.5-6.4-172.3-59.3-57.8000114.1M60 V99 M101 L114 V115 R120 P124 L125 F136 F188M60-F122 HydrophobicContact CE-CE1 3.65Å; M60-F122 HydrophobicContact CE-CZ 3.65Å; V99-F122 HydrophobicContact CB-CZ 4.21Å; V99-F122 HydrophobicContact CG1-CE1 4.24Å; V99-F122 HydrophobicContact CG1-CE2 3.94Å; V99-F122 HydrophobicContact CG1-CZ 3.43Å; V99-F122 VanDerWaalsContact CG1-CZ 3.43Å; V99-F122 HydrophobicContact CG2-CE1 4.02Å; V99-F122 HydrophobicContact CG2-CE2 4.44Å; V99-F122 HydrophobicContact CG2-CZ 3.93Å; M101-F122 HydrophobicContact SD-CE2 3.87Å; M101-F122 HydrophobicContact SD-CZ 4.44Å; L114-F122 HydrophobicContact CD1-CD2 3.81Å; L114-F122 HydrophobicContact CD1-CE2 4.4Å; L114-F122 HydrophobicContact CD2-CD2 3.86Å; L114-F122 HydrophobicContact CD2-CE2 4.42Å; L114-F122 HydrophobicContact CD2-CG 4.29Å; L114-F122 HydrophobicContact CG-CB 4.18Å; L114-F122 HydrophobicContact CG-CD2 3.75Å; L114-F122 HydrophobicContact CG-CG 4.26Å; V115-F122 WeakPolarHBondContact CG1-O 3.39Å; R120-F122 HydrophobicContact CB-CD2 3.92Å; R120-F122 HydrophobicContact CB-CE2 4.42Å; R120-F122 PolarHBondContact O-N 3.26Å; R120-F122 VanDerWaalsContact O-N 3.16Å; F122-P124 VanDerWaalsContact C-N 3.31Å; F122-P124 VanDerWaalsContact O-N 3.14Å; F122-L125 HydrophobicContact CB-CD1 4.12Å; F122-L125 HydrophobicContact CD1-CD1 3.9Å; F122-L125 HydrophobicContact CG-CD1 4.42Å; F122-L125 VanDerWaalsContact O-CB 3.22Å; F122-L125 WeakPolarHBondContact O-CB 3.47Å; F122-L125 PolarHBondContact O-N 3.33Å; F122-F136 HydrophobicContact CB-CE1 4.15Å; F122-F136 HydrophobicContact CB-CZ 4.19Å; F122-F136 AromaticContact CD1-CZ 3.91Å; F122-F136 HydrophobicContact CD1-CZ 3.91Å; F122-F136 HydrophobicContact CG-CE1 4.41Å; F122-F136 AromaticContact CG-CZ 3.98Å; F122-F136 HydrophobicContact CG-CZ 3.98Å; F122-F188 HydrophobicContact CD1-CE1 4.47Å; F122-F188 HydrophobicContact CE1-CE1 4.09Å
123R85.2Confident86Confident124 Ų12451.3 Ų51.347%0.46828%0.276SS..G310 helixtrans-47.3-42.8-179.1-174-179.5-171.4-172.57.3115.1E51 V115 L125 S126E51-R123 IonicContact OE1-NH1 3.35Å; E51-R123 PolarHBondContact OE1-NH1 3.01Å; V115-R123 VanDerWaalsContact O-CA 3.31Å; V115-R123 WeakPolarHBondContact O-CA 3.45Å; V115-R123 WeakPolarHBondContact O-CG 3.4Å; R123-L125 PolarHBondContact O-N 2.81Å; R123-L125 VanDerWaalsContact O-N 3.15Å; R123-S126 WeakPolarHBondContact O-CB 3.31Å; R123-S126 PolarHBondContact O-N 3.07Å; R123-S126 PolarHBondContact O-OG 3.49Å
124P82.5Confident85.8Confident14 Ų1454.3 Ų54.39%0.09129%0.286CS..G310 helixtrans-73.5-5.7-177-4.820.4000113.6P48 F122 S126 R127 Y186P48-P124 HydrophobicContact CG-CB 4.15Å; P48-P124 HydrophobicContact CG-CG 4.28Å; F122-P124 VanDerWaalsContact C-N 3.31Å; F122-P124 VanDerWaalsContact O-N 3.14Å; P124-S126 VanDerWaalsContact C-N 3.26Å; P124-S126 PolarHBondContact O-N 3.23Å; P124-R127 WeakPolarHBondContact O-CG 3.48Å; P124-R127 PolarHBondContact O-NE 3.44Å; P124-Y186 HydrophobicContact CB-CD2 3.63Å; P124-Y186 HydrophobicContact CB-CE2 4.45Å; P124-Y186 HydrophobicContact CB-CG 4.36Å; P124-Y186 HydrophobicContact CG-CD2 3.71Å; P124-Y186 HydrophobicContact CG-CE2 4.11Å
125L83.4Confident85.7Confident0 Ų057.1 Ų57.10%030%0.296CS..G310 helixtrans-72.2-16.5170.7-71.3171000113.5V115 F122 R123 R127 F128 F132 F136 Y186 F188V115-L125 HydrophobicContact CG1-CB 4.08Å; F122-L125 HydrophobicContact CB-CD1 4.12Å; F122-L125 HydrophobicContact CD1-CD1 3.9Å; F122-L125 HydrophobicContact CG-CD1 4.42Å; F122-L125 VanDerWaalsContact O-CB 3.22Å; F122-L125 WeakPolarHBondContact O-CB 3.47Å; F122-L125 PolarHBondContact O-N 3.33Å; R123-L125 PolarHBondContact O-N 2.81Å; R123-L125 VanDerWaalsContact O-N 3.15Å; L125-R127 PolarHBondContact O-N 3.45Å; L125-F128 HydrophobicContact CD2-CD2 3.87Å; L125-F128 HydrophobicContact CD2-CE2 3.73Å; L125-F128 PolarHBondContact O-N 3.48Å; L125-F128 VanDerWaalsContact O-N 3.13Å; L125-F132 HydrophobicContact CB-CE1 4.06Å; L125-F132 HydrophobicContact CD1-CE1 4.48Å; L125-F132 HydrophobicContact CD2-CE1 4.08Å; L125-F132 HydrophobicContact CD2-CZ 4.21Å; L125-F132 HydrophobicContact CG-CE1 4.46Å; L125-F136 HydrophobicContact CD1-CD1 4.3Å; L125-F136 HydrophobicContact CD1-CE1 3.5Å; L125-F136 HydrophobicContact CD1-CE2 3.9Å; L125-F136 HydrophobicContact CD1-CZ 3.28Å; L125-Y186 HydrophobicContact CD1-CD1 4.4Å; L125-Y186 HydrophobicContact CD1-CE1 3.85Å; L125-Y186 HydrophobicContact CD2-CD1 3.09Å; L125-Y186 HydrophobicContact CD2-CE1 3.36Å; L125-Y186 HydrophobicContact CD2-CG 3.75Å; L125-Y186 HydrophobicContact CG-CD1 3.61Å; L125-Y186 HydrophobicContact CG-CD2 4.3Å; L125-Y186 HydrophobicContact CG-CE1 3.53Å; L125-Y186 HydrophobicContact CG-CE2 4.17Å; L125-Y186 HydrophobicContact CG-CG 3.97Å; L125-F188 HydrophobicContact CD1-CE2 3.84Å; L125-F188 HydrophobicContact CD1-CZ 3.6Å; L125-F188 HydrophobicContact CD2-CD2 4.42Å; L125-F188 HydrophobicContact CD2-CE2 3.8Å; L125-F188 HydrophobicContact CD2-CZ 4.4Å; L125-F188 HydrophobicContact CG-CE2 4.46Å
126S83.4Confident85.8Confident59 Ų5956.9 Ų56.941%0.41330%0.295SS..G310 helixtrans-54.5-24.7176.555.10000113.4R123 P124 F128 G129R123-S126 WeakPolarHBondContact O-CB 3.31Å; R123-S126 PolarHBondContact O-N 3.07Å; R123-S126 PolarHBondContact O-OG 3.49Å; P124-S126 VanDerWaalsContact C-N 3.26Å; P124-S126 PolarHBondContact O-N 3.23Å; S126-F128 VanDerWaalsContact C-N 3.29Å; S126-F128 PolarHBondContact O-N 2.96Å; S126-G129 PolarHBondContact O-N 3.44Å
127R79.3Confident86Confident93 Ų9352.5 Ų52.535%0.35127%0.267SS..G310 helixtrans-62.4-27.2178.376.3-176.665.9-113.5-1115P124 L125 G129 F185P124-R127 WeakPolarHBondContact O-CG 3.48Å; P124-R127 PolarHBondContact O-NE 3.44Å; L125-R127 PolarHBondContact O-N 3.45Å; R127-G129 PolarHBondContact O-N 2.98Å; R127-F185 VanDerWaalsContact NH2-CB 3.32Å
128F80.5Confident86.3Confident20 Ų2050.2 Ų50.29%0.08826%0.255CS..G310 helixtrans-74-3.4-179.8-68.8-77.1000112.4L125 S126 F132 G173 V174 S183L125-F128 HydrophobicContact CD2-CD2 3.87Å; L125-F128 HydrophobicContact CD2-CE2 3.73Å; L125-F128 PolarHBondContact O-N 3.48Å; L125-F128 VanDerWaalsContact O-N 3.13Å; S126-F128 VanDerWaalsContact C-N 3.29Å; S126-F128 PolarHBondContact O-N 2.96Å; F128-F132 HydrophobicContact CB-CB 3.45Å; F128-F132 VanDerWaalsContact CB-CB 3.45Å; F128-F132 HydrophobicContact CB-CD1 3.53Å; F128-F132 HydrophobicContact CB-CD2 4.43Å; F128-F132 HydrophobicContact CB-CE1 4.43Å; F128-F132 HydrophobicContact CB-CG 3.52Å; F128-F132 HydrophobicContact CD2-CD1 4.25Å; F128-F132 HydrophobicContact CD2-CE1 4.36Å; F128-F132 HydrophobicContact CG-CD1 4.2Å; F128-F132 HydrophobicContact CG-CG 4.23Å; F128-G173 WeakPolarHBondContact CZ-O 3.32Å; F128-V174 HydrophobicContact CD1-CG2 3.64Å; F128-V174 HydrophobicContact CD2-CG2 4.12Å; F128-V174 HydrophobicContact CE1-CB 4.39Å; F128-V174 HydrophobicContact CE1-CG2 3.62Å; F128-V174 HydrophobicContact CE2-CG2 4.1Å; F128-V174 HydrophobicContact CG-CG2 3.91Å; F128-V174 HydrophobicContact CZ-CB 4.3Å; F128-V174 HydrophobicContact CZ-CG2 3.87Å; F128-S183 WeakPolarHBondContact CD1-OG 3.43Å; F128-S183 VanDerWaalsContact CE1-OG 3.28Å; F128-S183 WeakPolarHBondContact CE1-OG 3.44Å
129G83.6Confident86.8Confident30 Ų3045.4 Ų45.431%0.30923%0.225SC..Hα-helixtrans75.3177.2172.200000113.9S126 R127 A131 F132 L133S126-G129 PolarHBondContact O-N 3.44Å; R127-G129 PolarHBondContact O-N 2.98Å; G129-A131 VanDerWaalsContact C-N 3.27Å; G129-A131 PolarHBondContact O-N 3.33Å; G129-F132 PolarHBondContact O-N 3.45Å; G129-L133 WeakPolarHBondContact O-CG 3.33Å; G129-L133 PolarHBondContact O-N 3.13Å
130N87Confident87.3Confident110 Ų11039 Ų3959%0.58820%0.198SC*.Hα-helixtrans-60.7-32.3-172.1-73.9-40.9000113.8F132 L133 N134N130-F132 VanDerWaalsContact C-N 3.33Å; N130-F132 PolarHBondContact O-N 2.87Å; N130-L133 PolarHBondContact O-N 3.22Å; N130-N134 WeakPolarHBondContact O-CB 3.48Å; N130-N134 PolarHBondContact O-N 3.11Å; N130-N134 PolarHBondContact O-ND2 3.11Å
131A86.3Confident87.7Confident47 Ų4735.8 Ų35.839%0.38819%0.186SC..Hα-helixtrans-62-41.5178.900000112G129 G168G129-A131 VanDerWaalsContact C-N 3.27Å; G129-A131 PolarHBondContact O-N 3.33Å; A131-G168 WeakPolarHBondContact CB-O 3.5Å
132F86.4Confident88.1Confident0 Ų039.7 Ų39.70%021%0.207CC..Hα-helixtrans-72.7-46.5172.5171.8-102.1000112F97 L125 F128 G129 N130 N134 R135 F136 Y169 V174F97-F132 HydrophobicContact CD2-CD2 4.48Å; F97-F132 AromaticContact CD2-CE2 3.63Å; F97-F132 HydrophobicContact CD2-CE2 3.63Å; F97-F132 HydrophobicContact CD2-CZ 4.44Å; F97-F132 AromaticContact CE2-CE2 3.93Å; F97-F132 HydrophobicContact CE2-CE2 3.93Å; F97-F132 HydrophobicContact CG-CE2 4.16Å; L125-F132 HydrophobicContact CB-CE1 4.06Å; L125-F132 HydrophobicContact CD1-CE1 4.48Å; L125-F132 HydrophobicContact CD2-CE1 4.08Å; L125-F132 HydrophobicContact CD2-CZ 4.21Å; L125-F132 HydrophobicContact CG-CE1 4.46Å; F128-F132 HydrophobicContact CB-CB 3.45Å; F128-F132 VanDerWaalsContact CB-CB 3.45Å; F128-F132 HydrophobicContact CB-CD1 3.53Å; F128-F132 HydrophobicContact CB-CD2 4.43Å; F128-F132 HydrophobicContact CB-CE1 4.43Å; F128-F132 HydrophobicContact CB-CG 3.52Å; F128-F132 HydrophobicContact CD2-CD1 4.25Å; F128-F132 HydrophobicContact CD2-CE1 4.36Å; F128-F132 HydrophobicContact CG-CD1 4.2Å; F128-F132 HydrophobicContact CG-CG 4.23Å; G129-F132 PolarHBondContact O-N 3.45Å; N130-F132 VanDerWaalsContact C-N 3.33Å; N130-F132 PolarHBondContact O-N 2.87Å; F132-N134 PolarHBondContact O-N 3.23Å; F132-R135 CarbonylContact O-C 3.17Å; F132-R135 VanDerWaalsContact O-CA 3.29Å; F132-R135 WeakPolarHBondContact O-CA 3.44Å; F132-R135 PolarHBondContact O-N 2.95Å; F132-F136 HydrophobicContact CD1-CB 4.31Å; F132-F136 HydrophobicContact CE1-CB 3.78Å; F132-F136 HydrophobicContact CE1-CD1 4.08Å; F132-F136 HydrophobicContact CE1-CD2 4.37Å; F132-F136 AromaticContact CE1-CG 3.84Å; F132-F136 HydrophobicContact CE1-CG 3.84Å; F132-F136 HydrophobicContact CE2-CB 4.42Å; F132-F136 HydrophobicContact CZ-CB 3.86Å; F132-F136 AromaticContact CZ-CD2 4Å; F132-F136 HydrophobicContact CZ-CD2 4Å; F132-F136 AromaticContact CZ-CG 3.89Å; F132-F136 HydrophobicContact CZ-CG 3.89Å; F132-F136 PolarHBondContact O-N 3.26Å; F132-Y169 HydrophobicContact CB-CD2 4.38Å; F132-Y169 HydrophobicContact CB-CG 4.03Å; F132-Y169 AromaticContact CD2-CD2 3.72Å; F132-Y169 HydrophobicContact CD2-CD2 3.72Å; F132-Y169 AromaticContact CD2-CE2 3.85Å; F132-Y169 HydrophobicContact CD2-CE2 3.85Å; F132-Y169 HydrophobicContact CD2-CG 4.13Å; F132-Y169 HydrophobicContact CE2-CE2 4.39Å; F132-V174 HydrophobicContact CD2-CG1 4.48Å; F132-V174 HydrophobicContact CD2-CG2 3.62Å; F132-V174 HydrophobicContact CE2-CB 4.21Å; F132-V174 HydrophobicContact CE2-CG1 3.59Å; F132-V174 HydrophobicContact CE2-CG2 3.55Å; F132-V174 HydrophobicContact CG-CG2 4.35Å; F132-V174 HydrophobicContact CZ-CG1 3.85Å; F132-V174 HydrophobicContact CZ-CG2 4.23Å
133L87.9Confident88.4Confident10 Ų1040 Ų405%0.05221%0.21CC..Hα-helixtrans-62.9-27.9-175.2-64.7174.2000113.1G111 N112 V115 G129 N130 R135 F136G111-L133 WeakPolarHBondContact CA-O 3.3Å; N112-L133 VanDerWaalsContact OD1-CB 3.28Å; N112-L133 WeakPolarHBondContact OD1-CB 3.21Å; N112-L133 WeakPolarHBondContact OD1-CD1 3.29Å; V115-L133 HydrophobicContact CG1-CD2 3.56Å; V115-L133 HydrophobicContact CG2-CD1 4.3Å; V115-L133 HydrophobicContact CG2-CD2 4.19Å; G129-L133 WeakPolarHBondContact O-CG 3.33Å; G129-L133 PolarHBondContact O-N 3.13Å; N130-L133 PolarHBondContact O-N 3.22Å; L133-R135 VanDerWaalsContact C-N 3.26Å; L133-R135 PolarHBondContact O-N 3.2Å; L133-F136 HydrophobicContact CD2-CD1 4.35Å; L133-F136 PolarHBondContact O-N 2.96Å; L133-F136 VanDerWaalsContact O-O 3.12Å
134N89.5Confident88.6Confident107 Ų10738.6 Ų38.657%0.57221%0.209SC*.THydrogen-bonded Turntrans-72.5-19.2171.6-70.1-18000113.3N112 N130 F132N112-N134 PolarHBondContact ND2-OD1 2.87Å; N130-N134 WeakPolarHBondContact O-CB 3.48Å; N130-N134 PolarHBondContact O-N 3.11Å; N130-N134 PolarHBondContact O-ND2 3.11Å; F132-N134 PolarHBondContact O-N 3.23Å
135R88.5Confident89.1Confident61 Ų6137.9 Ų37.923%0.2321%0.205CC..THydrogen-bonded Turntrans-109.621.7174.5-65.8178.4-179.7-151.918.9111.8R96 F97 F132 L133 D166 R167 Y169R96-R135 CarbonylContact C-O 3.53Å; R96-R135 WeakPolarHBondContact CA-O 3.16Å; R96-R135 WeakPolarHBondContact CB-O 3.43Å; R96-R135 HydrophobicContact CG-CB 4.34Å; F97-R135 PolarHBondContact N-O 3.3Å; F132-R135 CarbonylContact O-C 3.17Å; F132-R135 VanDerWaalsContact O-CA 3.29Å; F132-R135 WeakPolarHBondContact O-CA 3.44Å; F132-R135 PolarHBondContact O-N 2.95Å; L133-R135 VanDerWaalsContact C-N 3.26Å; L133-R135 PolarHBondContact O-N 3.2Å; R135-D166 PolarHBondContact NH2-O 3.41Å; R135-R167 PolarHBondContact NH2-O 2.91Å; R135-Y169 HydrophobicContact CB-CE1 4.21Å; R135-Y169 VanDerWaalsContact CD-CE1 3.46Å; R135-Y169 HydrophobicContact CG-CE1 4.48Å
136F90.8Very high89.6Confident3 Ų337.9 Ų37.91%0.01321%0.205CC..EExtended strand (participates in β ladder)trans-124.5130.9173.6-179-129.8000108.3F97 V99 G111 L114 V115 F122 L125 F132 L133 F188F97-F136 HydrophobicContact CB-CD2 3.73Å; F97-F136 HydrophobicContact CB-CE2 4.42Å; F97-F136 WeakPolarHBondContact O-CA 3.31Å; V99-F136 HydrophobicContact CG2-CE2 3.44Å; V99-F136 VanDerWaalsContact CG2-CE2 3.44Å; V99-F136 HydrophobicContact CG2-CZ 3.79Å; G111-F136 WeakPolarHBondContact CA-O 3.37Å; G111-F136 PolarHBondContact N-O 3.42Å; L114-F136 HydrophobicContact CB-CE1 4.47Å; L114-F136 HydrophobicContact CD2-CD1 4.25Å; L114-F136 HydrophobicContact CD2-CE1 3.49Å; L114-F136 VanDerWaalsContact CD2-CE1 3.49Å; L114-F136 HydrophobicContact CD2-CE2 4.42Å; L114-F136 HydrophobicContact CD2-CZ 3.58Å; L114-F136 HydrophobicContact CG-CE1 4.17Å; V115-F136 HydrophobicContact CG1-CD1 4.47Å; V115-F136 HydrophobicContact CG1-CE1 4.27Å; F122-F136 HydrophobicContact CB-CE1 4.15Å; F122-F136 HydrophobicContact CB-CZ 4.19Å; F122-F136 AromaticContact CD1-CZ 3.91Å; F122-F136 HydrophobicContact CD1-CZ 3.91Å; F122-F136 HydrophobicContact CG-CE1 4.41Å; F122-F136 AromaticContact CG-CZ 3.98Å; F122-F136 HydrophobicContact CG-CZ 3.98Å; L125-F136 HydrophobicContact CD1-CD1 4.3Å; L125-F136 HydrophobicContact CD1-CE1 3.5Å; L125-F136 HydrophobicContact CD1-CE2 3.9Å; L125-F136 HydrophobicContact CD1-CZ 3.28Å; F132-F136 HydrophobicContact CD1-CB 4.31Å; F132-F136 HydrophobicContact CE1-CB 3.78Å; F132-F136 HydrophobicContact CE1-CD1 4.08Å; F132-F136 HydrophobicContact CE1-CD2 4.37Å; F132-F136 AromaticContact CE1-CG 3.84Å; F132-F136 HydrophobicContact CE1-CG 3.84Å; F132-F136 HydrophobicContact CE2-CB 4.42Å; F132-F136 HydrophobicContact CZ-CB 3.86Å; F132-F136 AromaticContact CZ-CD2 4Å; F132-F136 HydrophobicContact CZ-CD2 4Å; F132-F136 AromaticContact CZ-CG 3.89Å; F132-F136 HydrophobicContact CZ-CG 3.89Å; F132-F136 PolarHBondContact O-N 3.26Å; L133-F136 HydrophobicContact CD2-CD1 4.35Å; L133-F136 PolarHBondContact O-N 2.96Å; L133-F136 VanDerWaalsContact O-O 3.12Å; F136-F188 HydrophobicContact CE2-CZ 4.03Å; F136-F188 HydrophobicContact CZ-CZ 4.41Å
137Q93Very high90Very high15 Ų1539 Ų397%0.0720%0.202CC..EExtended strand (participates in β ladder)trans-147.5152.3179.166.7-174.824.100110.7R96 F97 I98 V99 I109R96-Q137 VanDerWaalsContact NH1-OE1 3.1Å; F97-Q137 PolarHBondContact O-N 2.66Å; I98-Q137 CarbonylContact C-O 3.47Å; I98-Q137 WeakPolarHBondContact CA-O 3.27Å; I98-Q137 HydrophobicContact CB-CG 4.31Å; I98-Q137 VanDerWaalsContact CD1-NE2 3.3Å; I98-Q137 HydrophobicContact CG1-CG 3.91Å; I98-Q137 HydrophobicContact CG2-CG 4.15Å; V99-Q137 PolarHBondContact N-O 3.03Å; I109-Q137 WeakPolarHBondContact O-CA 3.41Å
138C94.7Very high90.5Very high1 Ų135.2 Ų35.21%0.00719%0.19CC..EExtended strand (participates in β ladder)trans-104.3131.6165.7168.90000109V99 M101 T108 I109 L114V99-C138 HydrophobicContact CB-CB 4.36Å; V99-C138 CarbonylContact O-C 3.53Å; V99-C138 VanDerWaalsContact O-CA 3.23Å; V99-C138 WeakPolarHBondContact O-CA 3.17Å; V99-C138 PolarHBondContact O-SG 3.31Å; M101-C138 VanDerWaalsContact SD-SG 3.68Å; T108-C138 CarbonylContact C-O 3.55Å; T108-C138 VanDerWaalsContact CA-O 3.29Å; T108-C138 WeakPolarHBondContact CA-O 3.41Å; I109-C138 HydrophobicContact CB-CB 4.21Å; I109-C138 PolarHBondContact N-O 3Å; I109-C138 PolarHBondContact O-N 3.35Å; L114-C138 HydrophobicContact CD1-CB 3.87Å; L114-C138 HydrophobicContact CD2-CB 3.49Å; L114-C138 VanDerWaalsContact CD2-CB 3.49Å; L114-C138 HydrophobicContact CG-CB 4.29Å
139S96Very high91.1Very high0 Ų034.3 Ų34.30%019%0.186CC..EExtended strand (participates in β ladder)trans-104.4124.8173.4-175.10000107.9P84 V99 V100 M101P84-S139 VanDerWaalsContact CD-OG 3.24Å; P84-S139 WeakPolarHBondContact CD-OG 3.38Å; P84-S139 VanDerWaalsContact O-CB 3.24Å; P84-S139 WeakPolarHBondContact O-CB 3.43Å; P84-S139 PolarHBondContact O-OG 3.46Å; V99-S139 PolarHBondContact O-N 3.44Å; V100-S139 CarbonylContact C-O 3.58Å; V100-S139 WeakPolarHBondContact CA-O 3.31Å; M101-S139 PolarHBondContact N-O 2.99Å
140Q95.6Very high91.6Very high38 Ų3833.1 Ų33.118%0.17817%0.173CC..EExtended strand (participates in β ladder)trans-113.7137.7-179.9-61.8-169.2-67.700109.6M101 D106 G107 I109M101-Q140 VanDerWaalsContact O-CA 3.32Å; M101-Q140 WeakPolarHBondContact O-CA 3.49Å; D106-Q140 CarbonylContact C-O 3.59Å; D106-Q140 VanDerWaalsContact CA-O 3.25Å; D106-Q140 WeakPolarHBondContact CA-O 3.32Å; G107-Q140 PolarHBondContact N-O 3.37Å; G107-Q140 PolarHBondContact O-N 2.97Å; I109-Q140 HydrophobicContact CD1-CG 4.48Å
141L95.4Very high92Very high4 Ų428 Ų282%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-157.6157.7173.364.9166.5000111.3L79 F83 V100 M101 G103 D106 S143 L146L79-L141 HydrophobicContact CD1-CD1 4.4Å; F83-L141 HydrophobicContact CB-CD1 3.98Å; F83-L141 HydrophobicContact CB-CD2 3.88Å; V100-L141 HydrophobicContact CG1-CD2 3.61Å; M101-L141 PolarHBondContact O-N 2.89Å; G103-L141 PolarHBondContact N-O 3.08Å; G103-L141 CarbonylContact O-C 3.56Å; D106-L141 VanDerWaalsContact OD1-CA 3.3Å; D106-L141 WeakPolarHBondContact OD1-CA 3.14Å; D106-L141 VanDerWaalsContact OD1-CB 3.27Å; D106-L141 WeakPolarHBondContact OD1-CB 3.32Å; L141-S143 PolarHBondContact O-N 3.22Å; L141-L146 HydrophobicContact CD2-CD1 3.29Å; L141-L146 HydrophobicContact CG-CD1 3.77Å
142D94.4Very high92.4Very high94 Ų9425.7 Ų25.750%0.50313%0.126SC..  trans-80.699.3175.6-173.59.9000109.6Y102 G103 K147Y102-D142 VanDerWaalsContact CE2-OD1 3.3Å; Y102-D142 WeakPolarHBondContact CE2-OD1 3.33Å; G103-D142 VanDerWaalsContact O-CA 3.27Å; G103-D142 WeakPolarHBondContact O-CA 3.17Å; G103-D142 PolarHBondContact O-N 2.9Å; G103-D142 VanDerWaalsContact O-N 3.07Å; D142-K147 IonicContact OD1-NZ 2.77Å
143S93.1Very high92.7Very high11 Ų1125.7 Ų25.78%0.07713%0.126CC..  trans-138.4130.8178.1174.40000110.5L141 V145 L146 K147L141-S143 PolarHBondContact O-N 3.22Å; S143-V145 PolarHBondContact O-N 3.04Å; S143-V145 PolarHBondContact OG-N 3.05Å; S143-L146 PolarHBondContact O-N 3.18Å; S143-L146 VanDerWaalsContact O-N 3.1Å; S143-K147 PolarHBondContact O-N 2.88Å
144E90.5Very high92.8Very high93 Ų9325.2 Ų25.244%0.43512%0.124SC..Hα-helixtrans-57.1-35.6174.8-70.7-60.6137.200112.3L146 K147 K422E144-L146 VanDerWaalsContact C-N 3.33Å; E144-L146 PolarHBondContact O-N 3.21Å; E144-K147 WeakPolarHBondContact O-CB 3.3Å; E144-K147 PolarHBondContact O-N 2.85Å; E144-K147 WeakPolarHBondContact OE1-CE 3.33Å; E144-K147 IonicContact OE1-NZ 3.17Å; E144-K147 PolarHBondContact OE1-NZ 2.81Å; E144-K147 IonicContact OE2-NZ 2.68Å; E144-K422 CarbonylContact C-O 3.59Å; E144-K422 VanDerWaalsContact CB-O 3.23Å; E144-K422 WeakPolarHBondContact CB-O 3.45Å
145V92.2Very high92.6Very high0 Ų020.2 Ų20.20%010%0.097CC..Hα-helixtrans-62.1-45.7176.8176.80000110L79 S143 K147 S148 L149 V421 K422 G423 F426L79-V145 HydrophobicContact CD2-CB 3.75Å; L79-V145 HydrophobicContact CD2-CG1 3.81Å; L79-V145 HydrophobicContact CD2-CG2 4.34Å; S143-V145 PolarHBondContact O-N 3.04Å; S143-V145 PolarHBondContact OG-N 3.05Å; V145-K147 PolarHBondContact O-N 3.01Å; V145-S148 PolarHBondContact O-N 3.4Å; V145-S148 PolarHBondContact O-OG 3.18Å; V145-L149 PolarHBondContact O-N 2.96Å; V145-V421 HydrophobicContact CB-CG1 4.19Å; V145-V421 HydrophobicContact CG1-CG1 3.74Å; V145-V421 HydrophobicContact CG2-CG1 4.3Å; V145-K422 WeakPolarHBondContact CA-O 3.49Å; V145-K422 WeakPolarHBondContact CG2-O 3.22Å; V145-K422 PolarHBondContact N-O 3.34Å; V145-G423 WeakPolarHBondContact CG2-O 3.26Å; V145-F426 HydrophobicContact CG1-CD2 4.23Å; V145-F426 HydrophobicContact CG1-CE2 3.82Å; V145-F426 HydrophobicContact CG2-CD2 3.77Å; V145-F426 HydrophobicContact CG2-CE2 4.15Å
146L94.2Very high92.5Very high0 Ų017.4 Ų17.40%09%0.088CC..Hα-helixtrans-75.3-14.3-178.2-58175.7000112.5K58 L79 V100 Y102 L141 S143 E144 S148 L149 I151K58-L146 PolarHBondContact NZ-O 2.8Å; L79-L146 HydrophobicContact CD1-CD1 4.3Å; L79-L146 HydrophobicContact CD2-CD1 4.25Å; L79-L146 HydrophobicContact CD2-CD2 3.94Å; L79-L146 HydrophobicContact CD2-CG 3.81Å; V100-L146 HydrophobicContact CG1-CD1 3.73Å; V100-L146 HydrophobicContact CG1-CD2 4.16Å; Y102-L146 VanDerWaalsContact CB-O 3.29Å; Y102-L146 WeakPolarHBondContact CB-O 3.48Å; L141-L146 HydrophobicContact CD2-CD1 3.29Å; L141-L146 HydrophobicContact CG-CD1 3.77Å; S143-L146 PolarHBondContact O-N 3.18Å; S143-L146 VanDerWaalsContact O-N 3.1Å; E144-L146 VanDerWaalsContact C-N 3.33Å; E144-L146 PolarHBondContact O-N 3.21Å; L146-S148 PolarHBondContact O-N 2.93Å; L146-L149 CarbonylContact C-O 3.59Å; L146-L149 WeakPolarHBondContact CA-O 3.33Å; L146-I151 HydrophobicContact CD2-CD1 4.41Å; L146-I151 HydrophobicContact CD2-CG1 4.41Å
147K91.5Very high92Very high81 Ų8117.3 Ų17.335%0.3529%0.087SC..Hα-helixtrans-62-27.1170.3-72-179.2-175.2172.10111.5K58 Y102 D142 S143 E144 V145K58-K147 WeakPolarHBondContact CE-O 3.44Å; K58-K147 VanDerWaalsContact NZ-C 3.34Å; K58-K147 PolarHBondContact NZ-O 2.72Å; Y102-K147 HydrophobicContact CD2-CD 4.47Å; Y102-K147 HydrophobicContact CD2-CG 3.5Å; Y102-K147 VanDerWaalsContact CD2-CG 3.5Å; Y102-K147 HydrophobicContact CE2-CD 4Å; Y102-K147 HydrophobicContact CE2-CG 3.49Å; Y102-K147 VanDerWaalsContact CE2-CG 3.49Å; Y102-K147 HydrophobicContact CG-CG 4.14Å; D142-K147 IonicContact OD1-NZ 2.77Å; S143-K147 PolarHBondContact O-N 2.88Å; E144-K147 WeakPolarHBondContact O-CB 3.3Å; E144-K147 PolarHBondContact O-N 2.85Å; E144-K147 WeakPolarHBondContact OE1-CE 3.33Å; E144-K147 IonicContact OE1-NZ 3.17Å; E144-K147 PolarHBondContact OE1-NZ 2.81Å; E144-K147 IonicContact OE2-NZ 2.68Å; V145-K147 PolarHBondContact O-N 3.01Å
148S89.6Confident91Very high15 Ų1517.5 Ų17.511%0.1059%0.089CC..Hα-helixtrans-114-16.7178.1600000114.9P59 V145 L146P59-S148 WeakPolarHBondContact CD-O 3.48Å; V145-S148 PolarHBondContact O-N 3.4Å; V145-S148 PolarHBondContact O-OG 3.18Å; L146-S148 PolarHBondContact O-N 2.93Å
149L93.1Very high89.7Confident1 Ų121.8 Ų21.81%0.00512%0.118CC..  trans-127.7165.3-178.5-68.9176.3000114.3P59 I61 V145 L146 L295 P296 V421P59-L149 HydrophobicContact CB-CD2 3.76Å; P59-L149 HydrophobicContact CG-CD2 3.89Å; I61-L149 HydrophobicContact CD1-CD1 3.8Å; V145-L149 PolarHBondContact O-N 2.96Å; L146-L149 CarbonylContact C-O 3.59Å; L146-L149 WeakPolarHBondContact CA-O 3.33Å; L149-L295 HydrophobicContact CD2-CB 3.92Å; L149-L295 HydrophobicContact CD2-CD1 4.02Å; L149-P296 HydrophobicContact CD2-CG 4.33Å; L149-V421 HydrophobicContact CD1-CB 4.32Å; L149-V421 HydrophobicContact CD1-CG1 3.97Å; L149-V421 HydrophobicContact CD1-CG2 3.36Å; L149-V421 HydrophobicContact CD2-CG2 4.36Å; L149-V421 HydrophobicContact CG-CG2 3.71Å
150T94.5Very high88Confident5 Ų523.3 Ų23.33%0.03113%0.134CC..EExtended strand (participates in β ladder)trans-127.6134.8163.9-66.80000108.3P59 M60 I61 V99 M101P59-T150 PolarHBondContact O-N 3.42Å; M60-T150 CarbonylContact C-O 3.39Å; M60-T150 VanDerWaalsContact CA-O 3.27Å; M60-T150 WeakPolarHBondContact CA-O 3.26Å; M60-T150 HydrophobicContact CE-CG2 3.86Å; M60-T150 HydrophobicContact CG-CG2 4.28Å; I61-T150 PolarHBondContact N-O 3.16Å; V99-T150 HydrophobicContact CG1-CG2 3.53Å; M101-T150 HydrophobicContact CG-CG2 3.87Å
151I95.8Very high86Confident1 Ų128.2 Ų28.21%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-116.7134.8-179.4-53173.4000108.5I61 L63 I75 L78 L79 V99 V100 L146I61-I151 HydrophobicContact CD1-CG1 4.48Å; I61-I151 CarbonylContact O-C 3.53Å; I61-I151 WeakPolarHBondContact O-CA 3.06Å; L63-I151 HydrophobicContact CD1-CG2 4.25Å; L63-I151 HydrophobicContact CG-CG2 4.18Å; I75-I151 HydrophobicContact CD1-CG2 3.77Å; I75-I151 HydrophobicContact CG1-CG2 3.86Å; I75-I151 HydrophobicContact CG2-CD1 4.45Å; L78-I151 HydrophobicContact CD1-CD1 4.29Å; L79-I151 HydrophobicContact CD2-CD1 4.47Å; V99-I151 CarbonylContact C-O 3.58Å; V100-I151 HydrophobicContact CB-CB 4.48Å; V100-I151 PolarHBondContact N-O 2.87Å; V100-I151 PolarHBondContact O-N 3.12Å; V100-I151 VanDerWaalsContact O-N 3.07Å; L146-I151 HydrophobicContact CD2-CD1 4.41Å; L146-I151 HydrophobicContact CD2-CG1 4.41Å
152V93.4Very high84Confident0 Ų037.4 Ų37.40%020%0.197CC..EExtended strand (participates in β ladder)trans-111109.8176.5-177.50000108.1M60 I61 L62 L63 I98 V99 T154 F188M60-V152 HydrophobicContact CE-CG2 4.18Å; M60-V152 HydrophobicContact CG-CG2 3.73Å; M60-V152 HydrophobicContact SD-CG2 3.53Å; M60-V152 VanDerWaalsContact SD-CG2 3.53Å; I61-V152 PolarHBondContact O-N 3.41Å; L62-V152 HydrophobicContact CD1-CB 3.8Å; L62-V152 HydrophobicContact CD1-CG1 3.62Å; L63-V152 PolarHBondContact N-O 2.73Å; I98-V152 WeakPolarHBondContact O-CA 3.46Å; V99-V152 HydrophobicContact CG1-CG2 4.35Å; V99-V152 HydrophobicContact CG2-CG2 4.37Å; V152-T154 HydrophobicContact CG1-CG2 4.45Å; V152-F188 HydrophobicContact CG1-CE1 4.17Å; V152-F188 HydrophobicContact CG1-CZ 4.49Å; V152-F188 HydrophobicContact CG2-CD1 4.41Å; V152-F188 HydrophobicContact CG2-CE1 4.08Å
153D92.5Very high82.1Confident0 Ų037.5 Ų37.50%020%0.195CC..EExtended strand (participates in β ladder)trans-81.4128.8168-1570.1000108.8K71 T72 I75 F97 I98K71-D153 WeakPolarHBondContact CB-OD1 3.08Å; T72-D153 WeakPolarHBondContact CB-OD2 3.2Å; T72-D153 PolarHBondContact OG1-OD2 2.85Å; I75-D153 HydrophobicContact CD1-CB 3.46Å; I75-D153 VanDerWaalsContact CD1-CB 3.46Å; F97-D153 WeakPolarHBondContact CA-O 3.4Å; I98-D153 HydrophobicContact CB-CB 4.15Å; I98-D153 PolarHBondContact N-O 3.28Å; I98-D153 PolarHBondContact O-N 2.81Å
154T90.1Very high80.3Confident0 Ų039.6 Ų39.60%020%0.201CC..  trans-105.3149.6177.365.70000110.5L62 L63 V64 K71 F97 V152 L175L62-T154 HydrophobicContact CD1-CG2 3.49Å; L62-T154 VanDerWaalsContact CD1-CG2 3.49Å; L62-T154 HydrophobicContact CG-CG2 4.36Å; L63-T154 VanDerWaalsContact O-CB 3.32Å; L63-T154 WeakPolarHBondContact O-CB 3.42Å; L63-T154 WeakPolarHBondContact O-CG2 3.45Å; L63-T154 PolarHBondContact O-OG1 3.33Å; V64-T154 HydrophobicContact CG2-CG2 4.5Å; K71-T154 WeakPolarHBondContact CE-O 3.21Å; F97-T154 HydrophobicContact CD1-CG2 3.95Å; F97-T154 HydrophobicContact CE1-CG2 3.72Å; V152-T154 HydrophobicContact CG1-CG2 4.45Å; T154-L175 HydrophobicContact CG2-CD2 3.82Å
155P86.2Confident78.6Confident1 Ų142.1 Ų42.11%0.00622%0.216CC..PPolyproline II helixtrans-51.2144.5169.5-25.429000112.2T94 R96 F97 I157 F171T94-P155 WeakPolarHBondContact O-CA 3.23Å; R96-P155 WeakPolarHBondContact O-CD 3.18Å; F97-P155 HydrophobicContact CD2-CG 3.77Å; F97-P155 HydrophobicContact CE2-CG 3.81Å; F97-P155 HydrophobicContact CG-CG 4.4Å; F97-P155 HydrophobicContact CZ-CG 4.48Å; P155-I157 PolarHBondContact O-N 2.62Å; P155-F171 HydrophobicContact CB-CE2 3.91Å; P155-F171 HydrophobicContact CG-CD2 4.44Å; P155-F171 HydrophobicContact CG-CE2 3.94Å
156G85.9Confident77.2Confident3 Ų348.3 Ų48.33%0.03125%0.249CC..PPolyproline II helixtrans-55.8140.1171.300000111.3Y67 R167Y67-G156 WeakPolarHBondContact CE2-O 3.44Å; Y67-G156 PolarHBondContact OH-O 2.77Å; Y67-G156 VanDerWaalsContact OH-O 3.12Å; G156-R167 PolarHBondContact O-NH2 3.42Å
157I80.2Confident76.1Confident1 Ų148.9 Ų48.91%0.00525%0.251CS..BIsolated β-bridgetrans-82124.2176.3-59.1173.2000109.5V64 G65 Q66 Y67 P155 F171 E209 F210 C213V64-I157 HydrophobicContact CG1-CD1 3.78Å; G65-I157 PolarHBondContact O-N 3.2Å; Q66-I157 HydrophobicContact CG-CB 4.12Å; Y67-I157 WeakPolarHBondContact CD2-O 3.46Å; Y67-I157 VanDerWaalsContact CE2-C 3.45Å; Y67-I157 PolarHBondContact N-O 2.68Å; P155-I157 PolarHBondContact O-N 2.62Å; I157-F171 HydrophobicContact CD1-CE1 3.99Å; I157-F171 HydrophobicContact CD1-CZ 4.46Å; I157-F171 HydrophobicContact CG1-CE1 3.56Å; I157-F171 HydrophobicContact CG1-CZ 3.85Å; I157-E209 HydrophobicContact CG2-CB 3.72Å; I157-E209 HydrophobicContact CG2-CG 3.68Å; I157-F210 HydrophobicContact CD1-CB 4.13Å; I157-F210 HydrophobicContact CD1-CD2 3.36Å; I157-F210 HydrophobicContact CD1-CE2 4.08Å; I157-F210 HydrophobicContact CD1-CG 4.06Å; I157-F210 HydrophobicContact CG2-CB 4.04Å; I157-C213 HydrophobicContact CD1-CB 4.04Å
158L73.2Confident75.2Confident19 Ų1947.8 Ų47.810%0.09926%0.262CS..PPolyproline II helixtrans-77.2136.9-173.1-71158000109.6Y67 G160 Q163Y67-L158 HydrophobicContact CD2-CD2 3.83Å; Y67-L158 HydrophobicContact CD2-CG 4.31Å; Y67-L158 HydrophobicContact CE1-CD2 4.39Å; Y67-L158 HydrophobicContact CE2-CB 3.98Å; Y67-L158 HydrophobicContact CE2-CD2 3.05Å; Y67-L158 HydrophobicContact CE2-CG 3.3Å; Y67-L158 WeakPolarHBondContact OH-CD2 3.35Å; Y67-L158 WeakPolarHBondContact OH-CG 3.37Å; L158-G160 PolarHBondContact O-N 3.18Å; L158-Q163 HydrophobicContact CB-CB 3.94Å; L158-Q163 HydrophobicContact CD1-CB 3.76Å; L158-Q163 VanDerWaalsContact CD1-O 3.3Å; L158-Q163 WeakPolarHBondContact CD1-O 3.26Å; L158-Q163 HydrophobicContact CD2-CB 4.22Å; L158-Q163 HydrophobicContact CG-CB 4.11Å
159S65.5Low74.4Confident90 Ų9048.3 Ų48.363%0.62926%0.262SS*.SBendtrans-85.790.4171.457.50000109.4
160G61.4Low73.6Confident33 Ų3351 Ų5134%0.3428%0.277SS..SBendtrans135.2145.4168.200000115.6L158 K162 Q163L158-G160 PolarHBondContact O-N 3.18Å; G160-K162 PolarHBondContact O-N 3.48Å; G160-Q163 PolarHBondContact O-N 3.37Å
161E53.9Low72.8Confident140 Ų14051 Ų5165%0.65428%0.277SS*.Hα-helixtrans-65.5-35.1-172.1-160.8162.1-139.400113.9Q163 R164E161-Q163 PolarHBondContact O-N 2.99Å; E161-R164 WeakPolarHBondContact O-CB 3.32Å; E161-R164 PolarHBondContact O-N 3.42Å; E161-R164 VanDerWaalsContact O-N 3.11Å; E161-R164 IonicContact OE1-NH1 3.97Å
162K52.6Low71.9Confident198 Ų19851.7 Ų51.786%0.86128%0.281SS*.Hα-helixtrans-64.5-26.6178.8-68.4-174.5179.3-179.80113.6G160G160-K162 PolarHBondContact O-N 3.48Å
163Q55.7Low70.9Confident96 Ų9651.9 Ų51.945%0.44928%0.283SS..Hα-helixtrans-86.1-16.5177.8-68.6-177.2-16.700112.4L158 G160 E161L158-Q163 HydrophobicContact CB-CB 3.94Å; L158-Q163 HydrophobicContact CD1-CB 3.76Å; L158-Q163 VanDerWaalsContact CD1-O 3.3Å; L158-Q163 WeakPolarHBondContact CD1-O 3.26Å; L158-Q163 HydrophobicContact CD2-CB 4.22Å; L158-Q163 HydrophobicContact CG-CB 4.11Å; G160-Q163 PolarHBondContact O-N 3.37Å; E161-Q163 PolarHBondContact O-N 2.99Å
164R54.6Low70Confident55 Ų5551.9 Ų51.921%0.20828%0.283CS..Hα-helixtrans-67.4-36.2178.2-64.7-175.9-179.7151.52.5113.1E161 D166 E209E161-R164 WeakPolarHBondContact O-CB 3.32Å; E161-R164 PolarHBondContact O-N 3.42Å; E161-R164 VanDerWaalsContact O-N 3.11Å; E161-R164 IonicContact OE1-NH1 3.97Å; R164-D166 PolarHBondContact O-N 3.16Å; R164-D166 VanDerWaalsContact O-N 3.1Å; R164-E209 WeakPolarHBondContact CG-OE2 3.38Å; R164-E209 IonicContact NE-OE2 3.04Å; R164-E209 PolarHBondContact NE-OE2 2.86Å
165I54.9Low69.1Low146 Ų14652.1 Ų52.175%0.74928%0.284SS*.G310 helixtrans-62-22.2-173.6-58.7173.6000111.4R167I165-R167 PolarHBondContact O-N 3.16Å
166D62.6Low68Low129 Ų12953.1 Ų53.169%0.6929%0.288SS*.G310 helixtrans-90.42.5-168.6-161.331.5000115.6R135 R164R135-D166 PolarHBondContact NH2-O 3.41Å; R164-D166 PolarHBondContact O-N 3.16Å; R164-D166 VanDerWaalsContact O-N 3.1Å
167R70.6Confident65.9Low12 Ų1254.5 Ų54.55%0.04530%0.297CS..G310 helixtrans-80.6-33.3179.3-65.1-173.2-172.2-149.9-4.1113.2R135 G156 I165 Y169 E209R135-R167 PolarHBondContact NH2-O 2.91Å; G156-R167 PolarHBondContact O-NH2 3.42Å; I165-R167 PolarHBondContact O-N 3.16Å; R167-Y169 HydrophobicContact CB-CD1 4.09Å; R167-Y169 HydrophobicContact CB-CE1 3.86Å; R167-Y169 VanDerWaalsContact O-CD1 3.23Å; R167-Y169 WeakPolarHBondContact O-CD1 3.35Å; R167-Y169 PolarHBondContact O-N 3.4Å; R167-E209 IonicContact CZ-OE1 2.77Å
168G72.3Confident64Low58 Ų5856.3 Ų56.360%0.59831%0.308SS*.SBendtrans73.74.9-17500000114.9A131A131-G168 WeakPolarHBondContact CB-O 3.5Å
169Y74.2Confident62.5Low26 Ų2657.2 Ų57.210%0.10232%0.315CS..SBendtrans-148160.817468.1-85.5000109.9F97 F132 R135 R167 F171 V174F97-Y169 AromaticContact CE2-CE2 3.77Å; F97-Y169 HydrophobicContact CE2-CE2 3.77Å; F97-Y169 AromaticContact CE2-CZ 3.98Å; F97-Y169 WeakPolarHBondContact CE2-OH 3.45Å; F132-Y169 HydrophobicContact CB-CD2 4.38Å; F132-Y169 HydrophobicContact CB-CG 4.03Å; F132-Y169 AromaticContact CD2-CD2 3.72Å; F132-Y169 HydrophobicContact CD2-CD2 3.72Å; F132-Y169 AromaticContact CD2-CE2 3.85Å; F132-Y169 HydrophobicContact CD2-CE2 3.85Å; F132-Y169 HydrophobicContact CD2-CG 4.13Å; F132-Y169 HydrophobicContact CE2-CE2 4.39Å; R135-Y169 HydrophobicContact CB-CE1 4.21Å; R135-Y169 VanDerWaalsContact CD-CE1 3.46Å; R135-Y169 HydrophobicContact CG-CE1 4.48Å; R167-Y169 HydrophobicContact CB-CD1 4.09Å; R167-Y169 HydrophobicContact CB-CE1 3.86Å; R167-Y169 VanDerWaalsContact O-CD1 3.23Å; R167-Y169 WeakPolarHBondContact O-CD1 3.35Å; R167-Y169 PolarHBondContact O-N 3.4Å; Y169-F171 HydrophobicContact CE2-CB 4.09Å; Y169-F171 HydrophobicContact CE2-CD2 4.23Å; Y169-F171 PolarHBondContact O-N 3.24Å; Y169-V174 HydrophobicContact CD2-CG2 3.95Å; Y169-V174 HydrophobicContact CE2-CG2 4.2Å
170D75.7Confident61.1Low59 Ų5960.7 Ų60.732%0.31632%0.319SS..  trans-78.1100176.9-176.57.5000111.1V172 G173 V174 A181D170-V172 PolarHBondContact OD1-N 3.36Å; D170-G173 PolarHBondContact O-N 2.92Å; D170-G173 PolarHBondContact OD1-N 3.5Å; D170-G173 VanDerWaalsContact OD2-CA 3.27Å; D170-G173 WeakPolarHBondContact OD2-CA 3.3Å; D170-G173 PolarHBondContact OD2-N 2.96Å; D170-V174 VanDerWaalsContact O-CG2 3.31Å; D170-V174 WeakPolarHBondContact O-CG2 3.48Å; D170-V174 PolarHBondContact O-N 3.39Å; D170-A181 WeakPolarHBondContact OD2-CB 3.35Å
171F78.5Confident60Low5 Ų560 Ų602%0.02231%0.31CS..Hα-helixtrans-65.4-42.6179.2176.5-98000112.7F97 P155 I157 Y169 V174 L175F97-F171 HydrophobicContact CE1-CE2 4.27Å; F97-F171 AromaticContact CE2-CD2 3.63Å; F97-F171 HydrophobicContact CE2-CD2 3.63Å; F97-F171 AromaticContact CE2-CE2 3.76Å; F97-F171 HydrophobicContact CE2-CE2 3.76Å; F97-F171 AromaticContact CZ-CD2 3.5Å; F97-F171 HydrophobicContact CZ-CD2 3.5Å; F97-F171 VanDerWaalsContact CZ-CD2 3.5Å; F97-F171 AromaticContact CZ-CE2 3.38Å; F97-F171 HydrophobicContact CZ-CE2 3.38Å; F97-F171 HydrophobicContact CZ-CZ 4.34Å; P155-F171 HydrophobicContact CB-CE2 3.91Å; P155-F171 HydrophobicContact CG-CD2 4.44Å; P155-F171 HydrophobicContact CG-CE2 3.94Å; I157-F171 HydrophobicContact CD1-CE1 3.99Å; I157-F171 HydrophobicContact CD1-CZ 4.46Å; I157-F171 HydrophobicContact CG1-CE1 3.56Å; I157-F171 HydrophobicContact CG1-CZ 3.85Å; Y169-F171 HydrophobicContact CE2-CB 4.09Å; Y169-F171 HydrophobicContact CE2-CD2 4.23Å; Y169-F171 PolarHBondContact O-N 3.24Å; F171-V174 PolarHBondContact O-N 3.48Å; F171-L175 HydrophobicContact CD1-CD1 3.99Å; F171-L175 HydrophobicContact CE1-CD1 3.21Å; F171-L175 HydrophobicContact CE1-CG 4.13Å; F171-L175 HydrophobicContact CE2-CD1 4.31Å; F171-L175 HydrophobicContact CZ-CD1 3.45Å; F171-L175 VanDerWaalsContact CZ-CD1 3.45Å; F171-L175 HydrophobicContact CZ-CG 4.17Å; F171-L175 PolarHBondContact O-N 2.96Å
172V74.9Confident59.3Low15 Ų1561.8 Ų61.89%0.09132%0.319CS..Hα-helixtrans-62.8-54.3178.4-158.70000105.6D170 V174 L175 E176 E209 R212 A216D170-V172 PolarHBondContact OD1-N 3.36Å; V172-V174 VanDerWaalsContact C-N 3.26Å; V172-V174 PolarHBondContact O-N 3.36Å; V172-L175 CarbonylContact O-C 3.55Å; V172-L175 VanDerWaalsContact O-CA 3.31Å; V172-L175 WeakPolarHBondContact O-CA 3.36Å; V172-L175 WeakPolarHBondContact O-CB 3.19Å; V172-L175 PolarHBondContact O-N 3.19Å; V172-E176 HydrophobicContact CB-CB 4.48Å; V172-E176 HydrophobicContact CG1-CB 3.98Å; V172-E176 HydrophobicContact CG1-CG 4.13Å; V172-E176 WeakPolarHBondContact CG1-OE1 3.36Å; V172-E176 WeakPolarHBondContact CG1-OE2 3.38Å; V172-E176 VanDerWaalsContact O-CA 3.31Å; V172-E176 WeakPolarHBondContact O-CA 3.48Å; V172-E176 WeakPolarHBondContact O-CB 3.36Å; V172-E176 PolarHBondContact O-N 3.33Å; V172-E209 HydrophobicContact CG2-CG 4.14Å; V172-R212 HydrophobicContact CG1-CB 4.11Å; V172-A216 HydrophobicContact CG1-CB 4.39Å
173G72.5Confident58.7Low4 Ų453.7 Ų53.74%0.04129%0.287CS..Hα-helixtrans-46.1-36.6174.500000116.8F128 D170 E176F128-G173 WeakPolarHBondContact CZ-O 3.32Å; D170-G173 PolarHBondContact O-N 2.92Å; D170-G173 PolarHBondContact OD1-N 3.5Å; D170-G173 VanDerWaalsContact OD2-CA 3.27Å; D170-G173 WeakPolarHBondContact OD2-CA 3.3Å; D170-G173 PolarHBondContact OD2-N 2.96Å; G173-E176 PolarHBondContact N-OE2 2.83Å; G173-E176 PolarHBondContact O-N 2.79Å
174V74.2Confident58.6Low0 Ų052.3 Ų52.30%028%0.278CS..Hα-helixtrans-69.5-38.7174.2173.60000112.1F97 F128 F132 Y169 D170 F171 V172 F188F97-V174 HydrophobicContact CD1-CG1 4.25Å; F97-V174 HydrophobicContact CE1-CG1 3.67Å; F97-V174 HydrophobicContact CE2-CB 4.42Å; F97-V174 HydrophobicContact CE2-CG1 3.97Å; F97-V174 HydrophobicContact CZ-CB 4Å; F97-V174 HydrophobicContact CZ-CG1 3.51Å; F128-V174 HydrophobicContact CD1-CG2 3.64Å; F128-V174 HydrophobicContact CD2-CG2 4.12Å; F128-V174 HydrophobicContact CE1-CB 4.39Å; F128-V174 HydrophobicContact CE1-CG2 3.62Å; F128-V174 HydrophobicContact CE2-CG2 4.1Å; F128-V174 HydrophobicContact CG-CG2 3.91Å; F128-V174 HydrophobicContact CZ-CB 4.3Å; F128-V174 HydrophobicContact CZ-CG2 3.87Å; F132-V174 HydrophobicContact CD2-CG1 4.48Å; F132-V174 HydrophobicContact CD2-CG2 3.62Å; F132-V174 HydrophobicContact CE2-CB 4.21Å; F132-V174 HydrophobicContact CE2-CG1 3.59Å; F132-V174 HydrophobicContact CE2-CG2 3.55Å; F132-V174 HydrophobicContact CG-CG2 4.35Å; F132-V174 HydrophobicContact CZ-CG1 3.85Å; F132-V174 HydrophobicContact CZ-CG2 4.23Å; Y169-V174 HydrophobicContact CD2-CG2 3.95Å; Y169-V174 HydrophobicContact CE2-CG2 4.2Å; D170-V174 VanDerWaalsContact O-CG2 3.31Å; D170-V174 WeakPolarHBondContact O-CG2 3.48Å; D170-V174 PolarHBondContact O-N 3.39Å; F171-V174 PolarHBondContact O-N 3.48Å; V172-V174 VanDerWaalsContact C-N 3.26Å; V172-V174 PolarHBondContact O-N 3.36Å; V174-F188 HydrophobicContact CG1-CD2 4.08Å; V174-F188 HydrophobicContact CG1-CE2 4.02Å
175L72.3Confident58.1Low4 Ų451.9 Ų51.92%0.02128%0.278CS..Hα-helixtrans-79.6-22.4173.7-64.1-178.1000113L62 V64 F97 T154 F171 V172 C213L62-L175 HydrophobicContact CD1-CD2 4.42Å; L62-L175 HydrophobicContact CD2-CD2 4.28Å; V64-L175 HydrophobicContact CG1-CD1 4.05Å; V64-L175 HydrophobicContact CG2-CD2 4.32Å; F97-L175 HydrophobicContact CE1-CD2 3.79Å; F97-L175 HydrophobicContact CE1-CG 4.43Å; F97-L175 HydrophobicContact CZ-CD2 4.25Å; F97-L175 HydrophobicContact CZ-CG 4.42Å; T154-L175 HydrophobicContact CG2-CD2 3.82Å; F171-L175 HydrophobicContact CD1-CD1 3.99Å; F171-L175 HydrophobicContact CE1-CD1 3.21Å; F171-L175 HydrophobicContact CE1-CG 4.13Å; F171-L175 HydrophobicContact CE2-CD1 4.31Å; F171-L175 HydrophobicContact CZ-CD1 3.45Å; F171-L175 VanDerWaalsContact CZ-CD1 3.45Å; F171-L175 HydrophobicContact CZ-CG 4.17Å; F171-L175 PolarHBondContact O-N 2.96Å; V172-L175 CarbonylContact O-C 3.55Å; V172-L175 VanDerWaalsContact O-CA 3.31Å; V172-L175 WeakPolarHBondContact O-CA 3.36Å; V172-L175 WeakPolarHBondContact O-CB 3.19Å; V172-L175 PolarHBondContact O-N 3.19Å; L175-C213 HydrophobicContact CD1-CB 4.2Å
176E63.3Low57.4Low23 Ų2345 Ų4511%0.10724%0.242CC..  trans-100151.9-145.1168.2166.2-115.500119V172 G173 T178 A216V172-E176 HydrophobicContact CB-CB 4.48Å; V172-E176 HydrophobicContact CG1-CB 3.98Å; V172-E176 HydrophobicContact CG1-CG 4.13Å; V172-E176 WeakPolarHBondContact CG1-OE1 3.36Å; V172-E176 WeakPolarHBondContact CG1-OE2 3.38Å; V172-E176 VanDerWaalsContact O-CA 3.31Å; V172-E176 WeakPolarHBondContact O-CA 3.48Å; V172-E176 WeakPolarHBondContact O-CB 3.36Å; V172-E176 PolarHBondContact O-N 3.33Å; G173-E176 PolarHBondContact N-OE2 2.83Å; G173-E176 PolarHBondContact O-N 2.79Å; E176-T178 HydrophobicContact CG-CG2 3.82Å; E176-T178 WeakPolarHBondContact OE1-CB 3.42Å; E176-T178 WeakPolarHBondContact OE1-CG2 3.21Å; E176-T178 PolarHBondContact OE1-OG1 2.62Å; E176-A216 HydrophobicContact CB-CB 3.66Å; E176-A216 HydrophobicContact CG-CB 3.59Å
177C40.6Very low57.2Low32 Ų3240 Ų4022%0.21621%0.214CC..  trans-123.744172.6-146.10000111.5R187 A216C177-R187 WeakPolarHBondContact SG-CD 3.46Å; C177-R187 PolarHBondContact SG-NH1 2.91Å; C177-A216 WeakPolarHBondContact CB-O 3.42Å; C177-A216 PolarHBondContact N-O 2.77Å; C177-A216 VanDerWaalsContact N-O 3.09Å
178T39.8Very low56.9Low39 Ų3939.4 Ų39.424%0.23921%0.212CC..SBendtrans-124.8166.4177.192.50000113.6E176 F180 A216E176-T178 HydrophobicContact CG-CG2 3.82Å; E176-T178 WeakPolarHBondContact OE1-CB 3.42Å; E176-T178 WeakPolarHBondContact OE1-CG2 3.21Å; E176-T178 PolarHBondContact OE1-OG1 2.62Å; T178-F180 PolarHBondContact O-N 2.97Å; T178-A216 HydrophobicContact CG2-CB 3.72Å
179P42.6Very low56.5Low37 Ų3736.7 Ų36.724%0.2418%0.183CC..THydrogen-bonded Turntrans-71.5-23.2-162-21.332.6000118.6W184 R368P179-W184 WeakPolarHBondContact O-CZ2 3.24Å; P179-R368 HydrophobicContact CB-CB 4.41Å
180F35.5Very low56.4Low163 Ų16338.3 Ų38.372%0.71519%0.192SC*.THydrogen-bonded Turntrans-101.42.3-155.3-108.6-91.1000117.7T178T178-F180 PolarHBondContact O-N 2.97Å
181A39.8Very low56.7Low18 Ų1837.1 Ų37.115%0.14918%0.183CC..  trans-95.416.1-159.800000122D170 S183 W184D170-A181 WeakPolarHBondContact OD2-CB 3.35Å; A181-S183 PolarHBondContact O-N 2.85Å; A181-W184 VanDerWaalsContact CA-NE1 3.28Å
182Q38.2Very low57.2Low178 Ų17836.9 Ų36.983%0.83218%0.182SC*.SBendtrans40.3-18.8-175.9-74.9-170.17.900122W184Q182-W184 VanDerWaalsContact CA-CE2 3.48Å; Q182-W184 HydrophobicContact CG-CH2 4.39Å
183S41.2Very low58Low29 Ų2936.4 Ų36.420%0.20318%0.179CC..  trans-118.570-171-166.40000108.6F128 A181F128-S183 WeakPolarHBondContact CD1-OG 3.43Å; F128-S183 VanDerWaalsContact CE1-OG 3.28Å; F128-S183 WeakPolarHBondContact CE1-OG 3.44Å; A181-S183 PolarHBondContact O-N 2.85Å
184W52.4Low58.9Low67 Ų6736.3 Ų36.325%0.25418%0.177SC..  trans-106.67.8-144.9-76.2-40.2000119.1P179 A181 Q182 Q372P179-W184 WeakPolarHBondContact O-CZ2 3.24Å; A181-W184 VanDerWaalsContact CA-NE1 3.28Å; Q182-W184 VanDerWaalsContact CA-CE2 3.48Å; Q182-W184 HydrophobicContact CG-CH2 4.39Å; W184-Q372 HydrophobicContact CZ3-CG 4.49Å
185F44.6Very low59.8Low46 Ų4636.3 Ų36.320%0.20218%0.177CC..SBendtrans-108.9-28.4-162.9-114.2-118.7000113.5H43 P48 R127H43-F185 HydrophobicContact CB-CE1 3.9Å; H43-F185 HydrophobicContact CB-CZ 3.87Å; H43-F185 WeakPolarHBondContact O-CE1 3.26Å; H43-F185 WeakPolarHBondContact O-CE2 3.39Å; H43-F185 WeakPolarHBondContact O-CZ 3.3Å; P48-F185 HydrophobicContact CB-CD1 3.56Å; P48-F185 HydrophobicContact CB-CE1 3.91Å; P48-F185 WeakPolarHBondContact CD-O 3.23Å; P48-F185 HydrophobicContact CG-CD1 3.79Å; R127-F185 VanDerWaalsContact NH2-CB 3.32Å
186Y40.2Very low60.9Low2 Ų236.1 Ų36.11%0.00818%0.176CC..  trans-103114.7-177.5-173-87.9000110.2Q121 P124 L125 F188 R191Q121-Y186 WeakPolarHBondContact O-CE2 3.36Å; Q121-Y186 PolarHBondContact O-OH 2.78Å; P124-Y186 HydrophobicContact CB-CD2 3.63Å; P124-Y186 HydrophobicContact CB-CE2 4.45Å; P124-Y186 HydrophobicContact CB-CG 4.36Å; P124-Y186 HydrophobicContact CG-CD2 3.71Å; P124-Y186 HydrophobicContact CG-CE2 4.11Å; L125-Y186 HydrophobicContact CD1-CD1 4.4Å; L125-Y186 HydrophobicContact CD1-CE1 3.85Å; L125-Y186 HydrophobicContact CD2-CD1 3.09Å; L125-Y186 HydrophobicContact CD2-CE1 3.36Å; L125-Y186 HydrophobicContact CD2-CG 3.75Å; L125-Y186 HydrophobicContact CG-CD1 3.61Å; L125-Y186 HydrophobicContact CG-CD2 4.3Å; L125-Y186 HydrophobicContact CG-CE1 3.53Å; L125-Y186 HydrophobicContact CG-CE2 4.17Å; L125-Y186 HydrophobicContact CG-CG 3.97Å; Y186-F188 HydrophobicContact CD1-CD2 4.25Å; Y186-F188 HydrophobicContact CD1-CE2 4.48Å; Y186-F188 HydrophobicContact CE1-CD1 4.06Å; Y186-F188 AromaticContact CE1-CD2 3.71Å; Y186-F188 HydrophobicContact CE1-CD2 3.71Å; Y186-F188 HydrophobicContact CE1-CE1 4.16Å; Y186-F188 AromaticContact CE1-CE2 3.82Å; Y186-F188 HydrophobicContact CE1-CE2 3.82Å; Y186-F188 AromaticContact CE1-CG 3.84Å; Y186-F188 HydrophobicContact CE1-CG 3.84Å; Y186-F188 HydrophobicContact CE1-CZ 4.05Å; Y186-R191 VanDerWaalsContact CE2-CD 3.49Å
187R58.1Low62.3Low23 Ų2335 Ų359%0.08717%0.171CC..  trans-108.8108.8176-70.1-175.4-83.8-168.1-2.4108.8C177 A189 E190 R191C177-R187 WeakPolarHBondContact SG-CD 3.46Å; C177-R187 PolarHBondContact SG-NH1 2.91Å; R187-A189 PolarHBondContact O-N 3.39Å; R187-E190 HydrophobicContact CB-CB 3.9Å; R187-E190 HydrophobicContact CB-CG 3.69Å; R187-E190 HydrophobicContact CG-CG 4.35Å; R187-E190 IonicContact CZ-OE1 3.53Å; R187-E190 IonicContact CZ-OE2 3.86Å; R187-E190 IonicContact NE-OE1 3.46Å; R187-E190 PolarHBondContact NE-OE1 3.08Å; R187-E190 IonicContact NE-OE2 2.65Å; R187-E190 PolarHBondContact NE-OE2 3.38Å; R187-E190 IonicContact NH1-OE1 3.5Å; R187-E190 IonicContact NH2-OE1 3.18Å; R187-E190 PolarHBondContact NH2-OE1 3.09Å; R187-E190 IonicContact NH2-OE2 2.81Å; R187-E190 PolarHBondContact NH2-OE2 3.23Å; R187-E190 PolarHBondContact O-N 3.48Å; R187-R191 PolarHBondContact O-N 2.86Å
188F64.6Low64.9Low0 Ų033.5 Ų33.50%016%0.161CC..Hα-helixtrans-52.9-43165.4-90.2-75.1000109.4M60 L62 F122 L125 F136 V152 V174 Y186 E190 R191 V192M60-F188 HydrophobicContact SD-CD1 4.02Å; M60-F188 HydrophobicContact SD-CE1 4.22Å; L62-F188 HydrophobicContact CD1-CB 4.48Å; L62-F188 HydrophobicContact CD2-CB 4.17Å; F122-F188 HydrophobicContact CD1-CE1 4.47Å; F122-F188 HydrophobicContact CE1-CE1 4.09Å; L125-F188 HydrophobicContact CD1-CE2 3.84Å; L125-F188 HydrophobicContact CD1-CZ 3.6Å; L125-F188 HydrophobicContact CD2-CD2 4.42Å; L125-F188 HydrophobicContact CD2-CE2 3.8Å; L125-F188 HydrophobicContact CD2-CZ 4.4Å; L125-F188 HydrophobicContact CG-CE2 4.46Å; F136-F188 HydrophobicContact CE2-CZ 4.03Å; F136-F188 HydrophobicContact CZ-CZ 4.41Å; V152-F188 HydrophobicContact CG1-CE1 4.17Å; V152-F188 HydrophobicContact CG1-CZ 4.49Å; V152-F188 HydrophobicContact CG2-CD1 4.41Å; V152-F188 HydrophobicContact CG2-CE1 4.08Å; V174-F188 HydrophobicContact CG1-CD2 4.08Å; V174-F188 HydrophobicContact CG1-CE2 4.02Å; Y186-F188 HydrophobicContact CD1-CD2 4.25Å; Y186-F188 HydrophobicContact CD1-CE2 4.48Å; Y186-F188 HydrophobicContact CE1-CD1 4.06Å; Y186-F188 AromaticContact CE1-CD2 3.71Å; Y186-F188 HydrophobicContact CE1-CD2 3.71Å; Y186-F188 HydrophobicContact CE1-CE1 4.16Å; Y186-F188 AromaticContact CE1-CE2 3.82Å; Y186-F188 HydrophobicContact CE1-CE2 3.82Å; Y186-F188 AromaticContact CE1-CG 3.84Å; Y186-F188 HydrophobicContact CE1-CG 3.84Å; Y186-F188 HydrophobicContact CE1-CZ 4.05Å; F188-E190 VanDerWaalsContact C-N 3.26Å; F188-E190 PolarHBondContact O-N 3.13Å; F188-R191 PolarHBondContact O-N 2.91Å; F188-V192 HydrophobicContact CB-CG1 4.36Å; F188-V192 HydrophobicContact CD1-CG1 4.43Å; F188-V192 WeakPolarHBondContact O-CB 3.37Å; F188-V192 WeakPolarHBondContact O-CG1 3.25Å; F188-V192 VanDerWaalsContact O-CG2 3.27Å; F188-V192 WeakPolarHBondContact O-CG2 3.32Å; F188-V192 PolarHBondContact O-N 2.95Å
189A63.3Low67.4Low0 Ų031.7 Ų31.70%015%0.15CC..Hα-helixtrans-56-32179.200000115R187 V192 I195R187-A189 PolarHBondContact O-N 3.39Å; A189-V192 WeakPolarHBondContact O-CG2 3.43Å; A189-I195 HydrophobicContact CB-CD1 3.98Å
190E73Confident69.7Low60 Ų6030.3 Ų30.328%0.2814%0.14SC..Hα-helixtrans-79.1-33.6176.4-72.3-166.3135.900112.8R187 F188 K223R187-E190 HydrophobicContact CB-CB 3.9Å; R187-E190 HydrophobicContact CB-CG 3.69Å; R187-E190 HydrophobicContact CG-CG 4.35Å; R187-E190 IonicContact CZ-OE1 3.53Å; R187-E190 IonicContact CZ-OE2 3.86Å; R187-E190 IonicContact NE-OE1 3.46Å; R187-E190 PolarHBondContact NE-OE1 3.08Å; R187-E190 IonicContact NE-OE2 2.65Å; R187-E190 PolarHBondContact NE-OE2 3.38Å; R187-E190 IonicContact NH1-OE1 3.5Å; R187-E190 IonicContact NH2-OE1 3.18Å; R187-E190 PolarHBondContact NH2-OE1 3.09Å; R187-E190 IonicContact NH2-OE2 2.81Å; R187-E190 PolarHBondContact NH2-OE2 3.23Å; R187-E190 PolarHBondContact O-N 3.48Å; F188-E190 VanDerWaalsContact C-N 3.26Å; F188-E190 PolarHBondContact O-N 3.13Å; E190-K223 PolarHBondContact O-NZ 3.22Å
191R80.8Confident72.3Confident35 Ų3522.6 Ų22.613%0.13211%0.106CC..Hα-helixtrans-89.7-18.5-175.7-64.8-177.1177.6-138-21.5113.1D54 Q121 Y186 R187 F188D54-R191 IonicContact OD1-CZ 3.91Å; D54-R191 IonicContact OD1-NH1 2.66Å; D54-R191 PolarHBondContact OD1-NH1 2.93Å; D54-R191 IonicContact OD1-NH2 3.92Å; D54-R191 PolarHBondContact OD1-NH2 3.27Å; D54-R191 IonicContact OD2-CZ 3.93Å; D54-R191 IonicContact OD2-NH1 2.91Å; D54-R191 IonicContact OD2-NH2 3.23Å; D54-R191 PolarHBondContact OD2-NH2 3.34Å; Q121-R191 PolarHBondContact O-NH1 3.01Å; Y186-R191 VanDerWaalsContact CE2-CD 3.49Å; R187-R191 PolarHBondContact O-N 2.86Å; F188-R191 PolarHBondContact O-N 2.91Å
192V89.1Confident74.4Confident0 Ų027.8 Ų27.80%013%0.127CC..  trans-80.4149.2175.9-58.10000109.9M60 L62 F188 A189 I195 K223M60-V192 HydrophobicContact CB-CB 4.43Å; M60-V192 HydrophobicContact CB-CG1 4.23Å; M60-V192 HydrophobicContact CG-CB 4.42Å; M60-V192 HydrophobicContact CG-CG1 3.75Å; M60-V192 HydrophobicContact SD-CG1 3.55Å; M60-V192 VanDerWaalsContact SD-CG1 3.55Å; L62-V192 HydrophobicContact CB-CB 4.29Å; L62-V192 HydrophobicContact CB-CG1 3.77Å; L62-V192 HydrophobicContact CB-CG2 4.3Å; F188-V192 HydrophobicContact CB-CG1 4.36Å; F188-V192 HydrophobicContact CD1-CG1 4.43Å; F188-V192 WeakPolarHBondContact O-CB 3.37Å; F188-V192 WeakPolarHBondContact O-CG1 3.25Å; F188-V192 VanDerWaalsContact O-CG2 3.27Å; F188-V192 WeakPolarHBondContact O-CG2 3.32Å; F188-V192 PolarHBondContact O-N 2.95Å; A189-V192 WeakPolarHBondContact O-CG2 3.43Å; V192-I195 HydrophobicContact CG2-CD1 3.93Å; V192-I195 HydrophobicContact CG2-CG1 3.48Å; V192-I195 VanDerWaalsContact CG2-CG1 3.48Å; V192-K223 WeakPolarHBondContact O-CD 3.45Å; V192-K223 PolarHBondContact O-NZ 3.09Å
193D91.2Very high76.5Confident5 Ų525.6 Ų25.63%0.02712%0.115CC..SBendtrans-92.3-29.6177-60.7-97.4000110.1P59 M60 R302P59-D193 WeakPolarHBondContact CA-OD2 2.79Å; P59-D193 HydrophobicContact CB-CB 4.12Å; M60-D193 PolarHBondContact N-OD2 3.14Å; M60-D193 PolarHBondContact O-N 3.34Å; D193-R302 PolarHBondContact O-NH1 3.16Å
194R93.1Very high78.3Confident1 Ų125.9 Ų25.90%0.00411%0.114CC..EExtended strand (participates in β ladder)trans-140.5137.1-179.1-168.967.682.1-148-2.6111.1M60 I61 L62 I196 K223 D291 L292 L295 R302M60-R194 PolarHBondContact O-N 3.18Å; M60-R194 VanDerWaalsContact O-N 3.14Å; I61-R194 CarbonylContact C-O 3.54Å; I61-R194 WeakPolarHBondContact CA-O 3.37Å; I61-R194 HydrophobicContact CG1-CB 4.27Å; L62-R194 PolarHBondContact N-O 3.47Å; R194-I196 HydrophobicContact CG-CG1 4.17Å; R194-K223 WeakPolarHBondContact CD-O 3.45Å; R194-D291 IonicContact CZ-OD1 2.62Å; R194-D291 IonicContact CZ-OD2 2.97Å; R194-D291 IonicContact NE-OD1 2.67Å; R194-D291 IonicContact NE-OD2 2.71Å; R194-D291 PolarHBondContact NE-OD2 3.29Å; R194-D291 IonicContact NH2-OD1 2.98Å; R194-D291 PolarHBondContact NH2-OD1 2.94Å; R194-D291 IonicContact NH2-OD2 3.17Å; R194-D291 PolarHBondContact NH2-OD2 2.94Å; R194-L292 HydrophobicContact CG-CD2 4.26Å; R194-L295 HydrophobicContact CB-CD1 4.12Å; R194-L295 HydrophobicContact CB-CD2 4.07Å; R194-R302 VanDerWaalsContact CZ-NH2 3.25Å
195I93Very high79.6Confident0 Ų029.3 Ų29.30%014%0.138CC..EExtended strand (participates in β ladder)trans-117117.7174.3-58.9169.2000107.2L62 V64 A189 V192 L197 V217 K223 V224 R225L62-I195 HydrophobicContact CB-CG1 4.41Å; L62-I195 HydrophobicContact CD2-CG1 4.41Å; L62-I195 CarbonylContact O-C 3.08Å; L62-I195 WeakPolarHBondContact O-CA 3.5Å; V64-I195 HydrophobicContact CG2-CG2 4.4Å; A189-I195 HydrophobicContact CB-CD1 3.98Å; V192-I195 HydrophobicContact CG2-CD1 3.93Å; V192-I195 HydrophobicContact CG2-CG1 3.48Å; V192-I195 VanDerWaalsContact CG2-CG1 3.48Å; I195-L197 HydrophobicContact CG2-CD2 4.04Å; I195-V217 HydrophobicContact CD1-CB 4.41Å; I195-V217 HydrophobicContact CD1-CG1 3.35Å; I195-V217 HydrophobicContact CD1-CG2 4.17Å; I195-V217 HydrophobicContact CG2-CG1 4.35Å; I195-V217 HydrophobicContact CG2-CG2 4.3Å; I195-K223 PolarHBondContact N-O 3.24Å; I195-V224 HydrophobicContact CB-CG2 4.36Å; I195-V224 CarbonylContact O-C 3.07Å; I195-V224 WeakPolarHBondContact O-CA 3.38Å; I195-R225 PolarHBondContact O-N 2.74Å
196I94.8Very high81.3Confident0 Ų029 Ų290%014%0.137CC..EExtended strand (participates in β ladder)trans-104.8115.4177.5-55.5-177.8000108.3I61 L62 L63 V64 F74 R194 L198 R225 V227 L292I61-I196 HydrophobicContact CG2-CD1 3.65Å; I61-I196 HydrophobicContact CG2-CG1 3.9Å; L62-I196 PolarHBondContact O-N 2.77Å; L63-I196 HydrophobicContact CD2-CB 3.69Å; L63-I196 HydrophobicContact CD2-CD1 3.78Å; L63-I196 HydrophobicContact CD2-CG1 4.07Å; L63-I196 HydrophobicContact CD2-CG2 4.3Å; V64-I196 PolarHBondContact N-O 3.21Å; F74-I196 HydrophobicContact CE1-CD1 3.95Å; F74-I196 HydrophobicContact CZ-CD1 4.25Å; R194-I196 HydrophobicContact CG-CG1 4.17Å; I196-L198 HydrophobicContact CB-CD1 4.28Å; I196-L198 HydrophobicContact CG2-CD1 3.65Å; I196-L198 HydrophobicContact CG2-CG 4.26Å; I196-R225 CarbonylContact C-O 3.29Å; I196-R225 WeakPolarHBondContact CA-O 3.45Å; I196-V227 HydrophobicContact CG2-CB 4.04Å; I196-V227 HydrophobicContact CG2-CG2 3.49Å; I196-V227 VanDerWaalsContact CG2-CG2 3.49Å; I196-L292 HydrophobicContact CD1-CD1 4.39Å; I196-L292 HydrophobicContact CD1-CD2 4.03Å
197L93.6Very high83.1Confident0 Ų029.8 Ų29.80%014%0.143CC..EExtended strand (participates in β ladder)trans-90.5108.5172.6-56.2-178.7000108.9V64 I195 F199 F210 I214 V224 R225 I226 V227 F254V64-L197 HydrophobicContact CB-CD2 3.85Å; V64-L197 HydrophobicContact CG1-CD2 4.34Å; V64-L197 CarbonylContact O-C 3.59Å; V64-L197 WeakPolarHBondContact O-CA 2.76Å; I195-L197 HydrophobicContact CG2-CD2 4.04Å; L197-F199 HydrophobicContact CB-CD2 4.43Å; L197-F199 HydrophobicContact CB-CE2 3.74Å; L197-F210 HydrophobicContact CD2-CE2 4.48Å; L197-I214 HydrophobicContact CD1-CG1 4.04Å; L197-I214 HydrophobicContact CD1-CG2 4.36Å; L197-V224 HydrophobicContact CD1-CG1 3.69Å; L197-V224 HydrophobicContact CG-CG1 3.95Å; L197-R225 PolarHBondContact N-O 3.09Å; L197-I226 HydrophobicContact CB-CG1 4.47Å; L197-V227 PolarHBondContact O-N 3.24Å; L197-F254 HydrophobicContact CD1-CZ 4.07Å
198L93.6Very high84.2Confident0 Ų033.7 Ų33.70%017%0.166CC..EExtended strand (participates in β ladder)trans-90.5123.8177.8-77.295.9000111.2L63 V64 T69 K71 F74 I196 V227L63-L198 HydrophobicContact CB-CD1 4.11Å; L63-L198 HydrophobicContact CD2-CD1 4.07Å; L63-L198 HydrophobicContact CG-CD1 4.47Å; V64-L198 PolarHBondContact O-N 3.43Å; T69-L198 WeakPolarHBondContact CG2-O 3.41Å; K71-L198 HydrophobicContact CG-CB 4.4Å; K71-L198 HydrophobicContact CG-CD1 4.15Å; F74-L198 HydrophobicContact CB-CD2 4.08Å; F74-L198 HydrophobicContact CG-CD2 4.32Å; I196-L198 HydrophobicContact CB-CD1 4.28Å; I196-L198 HydrophobicContact CG2-CD1 3.65Å; I196-L198 HydrophobicContact CG2-CG 4.26Å; L198-V227 WeakPolarHBondContact CA-O 3.31Å; L198-V227 HydrophobicContact CG-CB 4.29Å
199F92.9Very high85Confident2 Ų234 Ų341%0.00917%0.167CC..EExtended strand (participates in β ladder)trans-112.6146.9172.8-67.6-98.6000109.8L197 L204 I206 F210 I214 I226 V227 L228 N229 L246 L250L197-F199 HydrophobicContact CB-CD2 4.43Å; L197-F199 HydrophobicContact CB-CE2 3.74Å; F199-L204 HydrophobicContact CB-CD2 4.45Å; F199-I206 HydrophobicContact CE1-CD1 3.82Å; F199-I206 HydrophobicContact CE1-CG1 3.96Å; F199-I206 HydrophobicContact CZ-CD1 4.39Å; F199-F210 AromaticContact CD1-CE1 3.88Å; F199-F210 HydrophobicContact CD1-CE1 3.88Å; F199-F210 HydrophobicContact CE1-CD1 4.22Å; F199-F210 AromaticContact CE1-CE1 3.28Å; F199-F210 HydrophobicContact CE1-CE1 3.28Å; F199-F210 AromaticContact CE1-CZ 3.93Å; F199-F210 HydrophobicContact CE1-CZ 3.93Å; F199-F210 HydrophobicContact CE2-CE1 4.21Å; F199-F210 HydrophobicContact CE2-CZ 4.01Å; F199-F210 AromaticContact CZ-CE1 3.46Å; F199-F210 HydrophobicContact CZ-CE1 3.46Å; F199-F210 VanDerWaalsContact CZ-CE1 3.46Å; F199-F210 AromaticContact CZ-CZ 3.6Å; F199-F210 HydrophobicContact CZ-CZ 3.6Å; F199-I214 HydrophobicContact CZ-CD1 4.05Å; F199-I226 HydrophobicContact CD2-CG2 3.67Å; F199-I226 HydrophobicContact CE2-CG2 3.77Å; F199-V227 PolarHBondContact N-O 3.28Å; F199-L228 HydrophobicContact CB-CD1 4.06Å; F199-N229 WeakPolarHBondContact O-CB 3.27Å; F199-N229 PolarHBondContact O-N 2.87Å; F199-L246 HydrophobicContact CD1-CD1 3.44Å; F199-L246 VanDerWaalsContact CD1-CD1 3.44Å; F199-L246 HydrophobicContact CD2-CD1 4.09Å; F199-L246 HydrophobicContact CE1-CD1 3.47Å; F199-L246 VanDerWaalsContact CE1-CD1 3.47Å; F199-L246 HydrophobicContact CE2-CD1 4.14Å; F199-L246 HydrophobicContact CG-CD1 3.76Å; F199-L246 HydrophobicContact CG-CD2 4.45Å; F199-L246 HydrophobicContact CZ-CD1 3.86Å; F199-L250 HydrophobicContact CE2-CD2 4.32Å; F199-L250 HydrophobicContact CZ-CD2 3.77Å
200D90.8Very high86Confident8 Ų834 Ų344%0.04317%0.167CC..EExtended strand (participates in β ladder)trans-92.7123171.6-173.9-34000108.5T69 H202 K203 K230T69-D200 HydrophobicContact CG2-CB 4.2Å; D200-H202 PolarHBondContact O-N 3.18Å; D200-H202 VanDerWaalsContact O-N 3.14Å; D200-H202 WeakPolarHBondContact OD1-CB 3.47Å; D200-H202 PolarHBondContact OD1-N 3.46Å; D200-K203 HydrophobicContact CB-CB 4.23Å; D200-K203 CarbonylContact O-C 3.59Å; D200-K203 VanDerWaalsContact O-C 3.29Å; D200-K203 PolarHBondContact O-N 3.39Å; D200-K230 WeakPolarHBondContact OD2-CE 3.25Å; D200-K230 IonicContact OD2-NZ 3.42Å; D200-K230 PolarHBondContact OD2-NZ 3.04Å
201A89.2Confident86.5Confident1 Ų136.4 Ų36.41%0.00817%0.174CC..THydrogen-bonded Turntrans-58.3-26.2-179.800000113.6L228 N229 V234 V242A201-L228 HydrophobicContact CB-CD1 3.96Å; A201-L228 HydrophobicContact CB-CG 4.09Å; A201-N229 WeakPolarHBondContact CB-O 3.3Å; A201-N229 PolarHBondContact N-O 3.22Å; A201-V234 HydrophobicContact CB-CG1 4.42Å; A201-V234 HydrophobicContact CB-CG2 4.12Å; A201-V242 HydrophobicContact CB-CG1 4.25Å; A201-V242 WeakPolarHBondContact O-CG1 3.31Å; A201-V242 WeakPolarHBondContact O-CG2 2.87Å
202H85.6Confident86.5Confident127 Ų12740.8 Ų40.859%0.58819%0.19SC*.THydrogen-bonded Turntrans-88-16.9177.3-170.6-70.9000112.8D200D200-H202 PolarHBondContact O-N 3.18Å; D200-H202 VanDerWaalsContact O-N 3.14Å; D200-H202 WeakPolarHBondContact OD1-CB 3.47Å; D200-H202 PolarHBondContact OD1-N 3.46Å
203K82.1Confident86.2Confident132 Ų13240.9 Ų40.957%0.57419%0.191SC*.BIsolated β-bridgetrans-137.278.9-175-62.6-177.1-176.4179.30111.3D200 D205D200-K203 HydrophobicContact CB-CB 4.23Å; D200-K203 CarbonylContact O-C 3.59Å; D200-K203 VanDerWaalsContact O-C 3.29Å; D200-K203 PolarHBondContact O-N 3.39Å; K203-D205 VanDerWaalsContact C-N 3.3Å; K203-D205 PolarHBondContact O-N 2.75Å
204L79.1Confident85.9Confident35 Ų3540.7 Ų40.718%0.18319%0.19CC..  trans-823.6-178.9-70.2-175.6000115.7F199 I206 L228 V242 A245 L246F199-L204 HydrophobicContact CB-CD2 4.45Å; L204-I206 PolarHBondContact O-N 3.47Å; L204-L228 HydrophobicContact CD2-CD1 3.9Å; L204-V242 VanDerWaalsContact CD1-CA 3.46Å; L204-V242 HydrophobicContact CD1-CB 3.77Å; L204-V242 HydrophobicContact CD1-CG1 3.44Å; L204-V242 VanDerWaalsContact CD1-CG1 3.44Å; L204-V242 HydrophobicContact CD1-CG2 4.06Å; L204-V242 WeakPolarHBondContact CD1-O 3.41Å; L204-V242 HydrophobicContact CD2-CG1 3.89Å; L204-V242 HydrophobicContact CG-CG1 3.81Å; L204-A245 HydrophobicContact CD1-CB 4.05Å; L204-L246 HydrophobicContact CD1-CB 4.36Å; L204-L246 HydrophobicContact CD2-CB 4.25Å; L204-L246 HydrophobicContact CD2-CD1 4.4Å
205D78.8Confident85.3Confident139 Ų13943.2 Ų43.274%0.74320%0.202SC*.  trans-65.7102.6-177.6-70-34.7000111.7Q66 K203 S207Q66-D205 VanDerWaalsContact CD-O 3.3Å; Q66-D205 PolarHBondContact NE2-O 3.12Å; Q66-D205 PolarHBondContact OE1-O 3.38Å; K203-D205 VanDerWaalsContact C-N 3.3Å; K203-D205 PolarHBondContact O-N 2.75Å; D205-S207 PolarHBondContact O-N 3.13Å; D205-S207 VanDerWaalsContact O-N 3.1Å
206I80.2Confident84.5Confident39 Ų3943.2 Ų43.220%0.220%0.202CC..  trans-73.4104.2173.8-53.7-170.4000109F199 L204 F210 R211 I214 S249F199-I206 HydrophobicContact CE1-CD1 3.82Å; F199-I206 HydrophobicContact CE1-CG1 3.96Å; F199-I206 HydrophobicContact CZ-CD1 4.39Å; L204-I206 PolarHBondContact O-N 3.47Å; I206-F210 HydrophobicContact CG2-CB 4.2Å; I206-F210 HydrophobicContact CG2-CD1 3.91Å; I206-F210 HydrophobicContact CG2-CG 4.32Å; I206-R211 HydrophobicContact CG2-CB 3.92Å; I206-I214 HydrophobicContact CD1-CD1 4.43Å; I206-I214 HydrophobicContact CG2-CD1 4.36Å; I206-S249 WeakPolarHBondContact CD1-OG 2.96Å
207S79.2Confident83.6Confident18 Ų1843.4 Ų43.413%0.12620%0.203CC..  trans-60.4154171.665.90000111.8Q66 D205 E209 F210 R211Q66-S207 PolarHBondContact NE2-OG 2.48Å; D205-S207 PolarHBondContact O-N 3.13Å; D205-S207 VanDerWaalsContact O-N 3.1Å; S207-E209 PolarHBondContact O-N 3.43Å; S207-E209 VanDerWaalsContact O-N 3.15Å; S207-F210 PolarHBondContact O-N 3.25Å; S207-F210 WeakPolarHBondContact OG-CB 3.41Å; S207-F210 PolarHBondContact OG-N 3.15Å; S207-F210 VanDerWaalsContact OG-N 3.15Å; S207-R211 PolarHBondContact O-N 2.98Å
208D81.3Confident82.6Confident105 Ų10544.7 Ų44.756%0.56122%0.216SC*.Hα-helixtrans-56.4-32.5175.8-72.1-36.4000113.1R212D208-R212 VanDerWaalsContact O-CG 3.26Å; D208-R212 WeakPolarHBondContact O-CG 3.12Å; D208-R212 PolarHBondContact O-N 2.71Å
209E79.8Confident81.8Confident7 Ų746.9 Ų46.93%0.03324%0.239CC..Hα-helixtrans-71.8-41.9177.1-170.6175.3164.100110.9I157 R164 R167 V172 S207 R211 R212 C213I157-E209 HydrophobicContact CG2-CB 3.72Å; I157-E209 HydrophobicContact CG2-CG 3.68Å; R164-E209 WeakPolarHBondContact CG-OE2 3.38Å; R164-E209 IonicContact NE-OE2 3.04Å; R164-E209 PolarHBondContact NE-OE2 2.86Å; R167-E209 IonicContact CZ-OE1 2.77Å; V172-E209 HydrophobicContact CG2-CG 4.14Å; S207-E209 PolarHBondContact O-N 3.43Å; S207-E209 VanDerWaalsContact O-N 3.15Å; E209-R211 VanDerWaalsContact C-N 3.34Å; E209-R212 WeakPolarHBondContact O-CB 3.09Å; E209-R212 PolarHBondContact O-N 3.47Å; E209-C213 PolarHBondContact O-N 2.71Å; E209-C213 PolarHBondContact O-SG 3.35Å
210F84.5Confident81.2Confident0 Ų047.3 Ų47.30%024%0.241CC..Hα-helixtrans-66.9-40.1176.2-173.6-150.2000111.3V64 Q66 I157 L197 F199 I206 S207 R212 C213 I214V64-F210 HydrophobicContact CG1-CE2 4.11Å; Q66-F210 HydrophobicContact CG-CB 4.02Å; Q66-F210 HydrophobicContact CG-CD1 3.84Å; Q66-F210 HydrophobicContact CG-CE1 4.48Å; Q66-F210 HydrophobicContact CG-CG 4.04Å; I157-F210 HydrophobicContact CD1-CB 4.13Å; I157-F210 HydrophobicContact CD1-CD2 3.36Å; I157-F210 HydrophobicContact CD1-CE2 4.08Å; I157-F210 HydrophobicContact CD1-CG 4.06Å; I157-F210 HydrophobicContact CG2-CB 4.04Å; L197-F210 HydrophobicContact CD2-CE2 4.48Å; F199-F210 AromaticContact CD1-CE1 3.88Å; F199-F210 HydrophobicContact CD1-CE1 3.88Å; F199-F210 HydrophobicContact CE1-CD1 4.22Å; F199-F210 AromaticContact CE1-CE1 3.28Å; F199-F210 HydrophobicContact CE1-CE1 3.28Å; F199-F210 AromaticContact CE1-CZ 3.93Å; F199-F210 HydrophobicContact CE1-CZ 3.93Å; F199-F210 HydrophobicContact CE2-CE1 4.21Å; F199-F210 HydrophobicContact CE2-CZ 4.01Å; F199-F210 AromaticContact CZ-CE1 3.46Å; F199-F210 HydrophobicContact CZ-CE1 3.46Å; F199-F210 VanDerWaalsContact CZ-CE1 3.46Å; F199-F210 AromaticContact CZ-CZ 3.6Å; F199-F210 HydrophobicContact CZ-CZ 3.6Å; I206-F210 HydrophobicContact CG2-CB 4.2Å; I206-F210 HydrophobicContact CG2-CD1 3.91Å; I206-F210 HydrophobicContact CG2-CG 4.32Å; S207-F210 PolarHBondContact O-N 3.25Å; S207-F210 WeakPolarHBondContact OG-CB 3.41Å; S207-F210 PolarHBondContact OG-N 3.15Å; S207-F210 VanDerWaalsContact OG-N 3.15Å; F210-R212 VanDerWaalsContact C-N 3.33Å; F210-R212 PolarHBondContact O-N 3.27Å; F210-C213 HydrophobicContact CD2-CB 4.36Å; F210-C213 CarbonylContact O-C 3.6Å; F210-C213 WeakPolarHBondContact O-CA 3.21Å; F210-C213 WeakPolarHBondContact O-CB 3.33Å; F210-C213 PolarHBondContact O-N 2.67Å; F210-C213 VanDerWaalsContact O-N 3.08Å; F210-I214 HydrophobicContact CD1-CD1 4.27Å; F210-I214 HydrophobicContact CD2-CD1 4.23Å; F210-I214 HydrophobicContact CD2-CG1 4.1Å; F210-I214 HydrophobicContact CE1-CD1 4.16Å; F210-I214 HydrophobicContact CE2-CD1 4.09Å; F210-I214 HydrophobicContact CE2-CG1 3.95Å; F210-I214 HydrophobicContact CG-CD1 4.33Å; F210-I214 HydrophobicContact CZ-CD1 4.06Å; F210-I214 HydrophobicContact CZ-CG1 4.36Å; F210-I214 WeakPolarHBondContact O-CG1 3.2Å; F210-I214 PolarHBondContact O-N 3.4Å
211R84.4Confident80.7Confident110 Ų11049.5 Ų49.542%0.41525%0.251SS..Hα-helixtrans-55.3-48.8170.6176.9174.8169.3-134.8-9.5111.1I206 S207 E209 C213 I214 E215 V253I206-R211 HydrophobicContact CG2-CB 3.92Å; S207-R211 PolarHBondContact O-N 2.98Å; E209-R211 VanDerWaalsContact C-N 3.34Å; R211-C213 VanDerWaalsContact C-N 3.3Å; R211-C213 PolarHBondContact O-N 2.68Å; R211-I214 PolarHBondContact O-N 2.97Å; R211-I214 VanDerWaalsContact O-N 3.15Å; R211-E215 HydrophobicContact CG-CG 4.44Å; R211-E215 IonicContact CZ-OE1 3.6Å; R211-E215 IonicContact NE-OE1 3.89Å; R211-E215 PolarHBondContact NE-OE1 2.9Å; R211-E215 IonicContact NH2-OE1 2.83Å; R211-E215 PolarHBondContact NH2-OE1 2.96Å; R211-E215 WeakPolarHBondContact O-CG 3.05Å; R211-E215 PolarHBondContact O-N 3.32Å; R211-V253 HydrophobicContact CG-CG1 4.07Å; R211-V253 HydrophobicContact CG-CG2 3.86Å
212R80.6Confident80.5Confident128 Ų12852.7 Ų52.748%0.48327%0.268SS..Hα-helixtrans-58.9-40.9174.8-73.5174.6-168.3-168.83.4111.7V172 D208 E209 F210 I214 E215 A216V172-R212 HydrophobicContact CG1-CB 4.11Å; D208-R212 VanDerWaalsContact O-CG 3.26Å; D208-R212 WeakPolarHBondContact O-CG 3.12Å; D208-R212 PolarHBondContact O-N 2.71Å; E209-R212 WeakPolarHBondContact O-CB 3.09Å; E209-R212 PolarHBondContact O-N 3.47Å; F210-R212 VanDerWaalsContact C-N 3.33Å; F210-R212 PolarHBondContact O-N 3.27Å; R212-I214 VanDerWaalsContact C-N 3.34Å; R212-I214 PolarHBondContact O-N 2.88Å; R212-E215 PolarHBondContact O-N 3.03Å; R212-A216 WeakPolarHBondContact O-CB 3.48Å; R212-A216 PolarHBondContact O-N 3.39Å
213C82.8Confident80.6Confident2 Ų246.7 Ų46.71%0.01424%0.24CC..Hα-helixtrans-62.4-39.1175.4-63.20000112.4V64 I157 L175 E209 F210 R211 A216 V217V64-C213 HydrophobicContact CG1-CB 4.47Å; I157-C213 HydrophobicContact CD1-CB 4.04Å; L175-C213 HydrophobicContact CD1-CB 4.2Å; E209-C213 PolarHBondContact O-N 2.71Å; E209-C213 PolarHBondContact O-SG 3.35Å; F210-C213 HydrophobicContact CD2-CB 4.36Å; F210-C213 CarbonylContact O-C 3.6Å; F210-C213 WeakPolarHBondContact O-CA 3.21Å; F210-C213 WeakPolarHBondContact O-CB 3.33Å; F210-C213 PolarHBondContact O-N 2.67Å; F210-C213 VanDerWaalsContact O-N 3.08Å; R211-C213 VanDerWaalsContact C-N 3.3Å; R211-C213 PolarHBondContact O-N 2.68Å; C213-A216 WeakPolarHBondContact O-CB 3.26Å; C213-A216 PolarHBondContact O-N 3.42Å; C213-V217 WeakPolarHBondContact O-CG2 3.28Å; C213-V217 PolarHBondContact O-N 3.07Å
214I83.7Confident81Confident1 Ų140.5 Ų40.51%0.00521%0.213CC..Hα-helixtrans-68.5-45.7176.4-62.4167.4000110.4L197 F199 I206 F210 R211 R212 A216 V217 L250 V253 F254L197-I214 HydrophobicContact CD1-CG1 4.04Å; L197-I214 HydrophobicContact CD1-CG2 4.36Å; F199-I214 HydrophobicContact CZ-CD1 4.05Å; I206-I214 HydrophobicContact CD1-CD1 4.43Å; I206-I214 HydrophobicContact CG2-CD1 4.36Å; F210-I214 HydrophobicContact CD1-CD1 4.27Å; F210-I214 HydrophobicContact CD2-CD1 4.23Å; F210-I214 HydrophobicContact CD2-CG1 4.1Å; F210-I214 HydrophobicContact CE1-CD1 4.16Å; F210-I214 HydrophobicContact CE2-CD1 4.09Å; F210-I214 HydrophobicContact CE2-CG1 3.95Å; F210-I214 HydrophobicContact CG-CD1 4.33Å; F210-I214 HydrophobicContact CZ-CD1 4.06Å; F210-I214 HydrophobicContact CZ-CG1 4.36Å; F210-I214 WeakPolarHBondContact O-CG1 3.2Å; F210-I214 PolarHBondContact O-N 3.4Å; R211-I214 PolarHBondContact O-N 2.97Å; R211-I214 VanDerWaalsContact O-N 3.15Å; R212-I214 VanDerWaalsContact C-N 3.34Å; R212-I214 PolarHBondContact O-N 2.88Å; I214-A216 PolarHBondContact O-N 3.05Å; I214-V217 PolarHBondContact O-N 3.28Å; I214-L250 HydrophobicContact CD1-CD2 4.37Å; I214-V253 HydrophobicContact CB-CG1 3.85Å; I214-V253 HydrophobicContact CG2-CB 4.37Å; I214-V253 HydrophobicContact CG2-CG1 3.56Å; I214-F254 HydrophobicContact CG2-CD1 4.39Å; I214-F254 HydrophobicContact CG2-CE1 3.76Å; I214-F254 HydrophobicContact CG2-CE2 4.04Å; I214-F254 HydrophobicContact CG2-CZ 3.55Å
215E81.6Confident81.7Confident54 Ų5441.2 Ų41.225%0.25221%0.214SC..Hα-helixtrans-59.1-35.7173.5-67.9177.716800111.2R211 R212 V217 G218 V253R211-E215 HydrophobicContact CG-CG 4.44Å; R211-E215 IonicContact CZ-OE1 3.6Å; R211-E215 IonicContact NE-OE1 3.89Å; R211-E215 PolarHBondContact NE-OE1 2.9Å; R211-E215 IonicContact NH2-OE1 2.83Å; R211-E215 PolarHBondContact NH2-OE1 2.96Å; R211-E215 WeakPolarHBondContact O-CG 3.05Å; R211-E215 PolarHBondContact O-N 3.32Å; R212-E215 PolarHBondContact O-N 3.03Å; E215-V217 PolarHBondContact O-N 3.28Å; E215-G218 WeakPolarHBondContact O-CA 3.11Å; E215-G218 PolarHBondContact O-N 3.48Å; E215-V253 HydrophobicContact CG-CG1 3.59Å
216A75.6Confident82.4Confident0 Ų034.6 Ų34.60%018%0.178CC..THydrogen-bonded Turntrans-71.6-14.2177.900000114.3V172 E176 C177 T178 R212 C213 I214 G218V172-A216 HydrophobicContact CG1-CB 4.39Å; E176-A216 HydrophobicContact CB-CB 3.66Å; E176-A216 HydrophobicContact CG-CB 3.59Å; C177-A216 WeakPolarHBondContact CB-O 3.42Å; C177-A216 PolarHBondContact N-O 2.77Å; C177-A216 VanDerWaalsContact N-O 3.09Å; T178-A216 HydrophobicContact CG2-CB 3.72Å; R212-A216 WeakPolarHBondContact O-CB 3.48Å; R212-A216 PolarHBondContact O-N 3.39Å; C213-A216 WeakPolarHBondContact O-CB 3.26Å; C213-A216 PolarHBondContact O-N 3.42Å; I214-A216 PolarHBondContact O-N 3.05Å; A216-G218 VanDerWaalsContact C-N 3.29Å
217V76.4Confident83.2Confident4 Ų432.7 Ų32.72%0.02417%0.169CC..THydrogen-bonded Turntrans-87-5.8169.1176.90000111.3I195 C213 I214 E215 N220 V224I195-V217 HydrophobicContact CD1-CB 4.41Å; I195-V217 HydrophobicContact CD1-CG1 3.35Å; I195-V217 HydrophobicContact CD1-CG2 4.17Å; I195-V217 HydrophobicContact CG2-CG1 4.35Å; I195-V217 HydrophobicContact CG2-CG2 4.3Å; C213-V217 WeakPolarHBondContact O-CG2 3.28Å; C213-V217 PolarHBondContact O-N 3.07Å; I214-V217 PolarHBondContact O-N 3.28Å; E215-V217 PolarHBondContact O-N 3.28Å; V217-N220 HydrophobicContact CG1-CB 4.5Å; V217-N220 PolarHBondContact O-N 2.85Å; V217-V224 HydrophobicContact CB-CG2 4.48Å; V217-V224 HydrophobicContact CG1-CG2 3.29Å
218G73.5Confident83.9Confident26 Ų2631.9 Ų31.927%0.26816%0.163SC..THydrogen-bonded Turntrans-50.8138.9176.900000113.4E215 A216 N220 E221E215-G218 WeakPolarHBondContact O-CA 3.11Å; E215-G218 PolarHBondContact O-N 3.48Å; A216-G218 VanDerWaalsContact C-N 3.29Å; G218-N220 VanDerWaalsContact C-N 3.32Å; G218-E221 WeakPolarHBondContact CA-OE1 3.45Å
219G75.6Confident84.5Confident47 Ų4727.1 Ų27.149%0.48514%0.137SC..THydrogen-bonded Turntrans87.7-10.3-170.500000115E221 K309G219-E221 WeakPolarHBondContact CA-OE2 3.43Å; G219-E221 PolarHBondContact N-OE1 3.44Å; G219-E221 PolarHBondContact N-OE2 3.41Å; G219-K309 PolarHBondContact O-NZ 3.17Å
220N80Confident85.1Confident11 Ų1128.9 Ų28.96%0.05915%0.145CC..  trans-121.528.5173.7-60.8-81.9000111.5V217 G218 D222 K223V217-N220 HydrophobicContact CG1-CB 4.5Å; V217-N220 PolarHBondContact O-N 2.85Å; G218-N220 VanDerWaalsContact C-N 3.32Å; N220-D222 PolarHBondContact O-N 3.47Å; N220-D222 VanDerWaalsContact O-N 3.16Å; N220-K223 HydrophobicContact CB-CD 4.19Å; N220-K223 HydrophobicContact CB-CG 4.37Å; N220-K223 WeakPolarHBondContact O-CB 3.5Å; N220-K223 PolarHBondContact O-N 2.89Å
221E80.9Confident85.3Confident53 Ų5328.9 Ų28.925%0.24815%0.145CC..G310 helixtrans-56.1-32.8-178.3-62.883.817800111.9G218 G219 K223 V224 F254 T256G218-E221 WeakPolarHBondContact CA-OE1 3.45Å; G219-E221 WeakPolarHBondContact CA-OE2 3.43Å; G219-E221 PolarHBondContact N-OE1 3.44Å; G219-E221 PolarHBondContact N-OE2 3.41Å; E221-K223 PolarHBondContact O-N 2.68Å; E221-K223 VanDerWaalsContact O-N 3.16Å; E221-V224 WeakPolarHBondContact O-CB 3.27Å; E221-V224 PolarHBondContact O-N 3.35Å; E221-F254 HydrophobicContact CG-CD1 4.2Å; E221-F254 HydrophobicContact CG-CE1 4.49Å; E221-T256 HydrophobicContact CG-CG2 4.39Å
222D84Confident85.6Confident68 Ų6823.7 Ų23.736%0.36413%0.125SC..G310 helixtrans-59.7-27.4176.964.4-77.7000113.3N220 R225 K309N220-D222 PolarHBondContact O-N 3.47Å; N220-D222 VanDerWaalsContact O-N 3.16Å; D222-R225 PolarHBondContact O-NH1 3.03Å; D222-R225 VanDerWaalsContact O-NH1 3.07Å; D222-K309 IonicContact OD1-NZ 3.33Å; D222-K309 PolarHBondContact OD1-NZ 2.78Å
223K88.3Confident85.9Confident1 Ų120.9 Ų20.90%0.00412%0.118CC..G310 helixtrans-86.7-13.6178-52.1-172.8180-1740112.7E190 V192 R194 I195 N220 E221 D306E190-K223 PolarHBondContact O-NZ 3.22Å; V192-K223 WeakPolarHBondContact O-CD 3.45Å; V192-K223 PolarHBondContact O-NZ 3.09Å; R194-K223 WeakPolarHBondContact CD-O 3.45Å; I195-K223 PolarHBondContact N-O 3.24Å; N220-K223 HydrophobicContact CB-CD 4.19Å; N220-K223 HydrophobicContact CB-CG 4.37Å; N220-K223 WeakPolarHBondContact O-CB 3.5Å; N220-K223 PolarHBondContact O-N 2.89Å; E221-K223 PolarHBondContact O-N 2.68Å; E221-K223 VanDerWaalsContact O-N 3.16Å; K223-D306 WeakPolarHBondContact CE-OD1 3.25Å; K223-D306 VanDerWaalsContact NZ-CG 3.32Å; K223-D306 IonicContact NZ-OD1 2.85Å; K223-D306 PolarHBondContact NZ-OD1 2.84Å; K223-D306 VanDerWaalsContact NZ-OD1 3.11Å; K223-D306 IonicContact NZ-OD2 3.14Å; K223-D306 PolarHBondContact NZ-OD2 3.41Å
224V91.2Very high86.1Confident2 Ų221 Ų211%0.01212%0.119CC..EExtended strand (participates in β ladder)trans-82.1133-173.9-179.20000111.7I195 L197 V217 E221 I226 F254I195-V224 HydrophobicContact CB-CG2 4.36Å; I195-V224 CarbonylContact O-C 3.07Å; I195-V224 WeakPolarHBondContact O-CA 3.38Å; L197-V224 HydrophobicContact CD1-CG1 3.69Å; L197-V224 HydrophobicContact CG-CG1 3.95Å; V217-V224 HydrophobicContact CB-CG2 4.48Å; V217-V224 HydrophobicContact CG1-CG2 3.29Å; E221-V224 WeakPolarHBondContact O-CB 3.27Å; E221-V224 PolarHBondContact O-N 3.35Å; V224-I226 HydrophobicContact CG1-CG1 4.38Å; V224-F254 HydrophobicContact CG1-CZ 4.06Å
225R93.2Very high86.3Confident50 Ų5023.4 Ų23.419%0.18913%0.132CC..EExtended strand (participates in β ladder)trans-130.4146.8166.7-66.9-60.6179.5-881.7109.2I195 I196 L197 D222 Y263 D291I195-R225 PolarHBondContact O-N 2.74Å; I196-R225 CarbonylContact C-O 3.29Å; I196-R225 WeakPolarHBondContact CA-O 3.45Å; L197-R225 PolarHBondContact N-O 3.09Å; D222-R225 PolarHBondContact O-NH1 3.03Å; D222-R225 VanDerWaalsContact O-NH1 3.07Å; R225-Y263 HydrophobicContact CB-CD2 4.38Å; R225-Y263 HydrophobicContact CB-CE2 3.86Å; R225-Y263 HydrophobicContact CG-CE2 3.94Å; R225-D291 IonicContact NE-OD2 2.88Å
226I94.4Very high86.5Confident0 Ų025.1 Ų25.10%014%0.14CC..EExtended strand (participates in β ladder)trans-112.8131.8-175.7-57.3-173.9000107.7L197 F199 V224 L246 L250 F254 A260 R261 V262 Y263L197-I226 HydrophobicContact CB-CG1 4.47Å; F199-I226 HydrophobicContact CD2-CG2 3.67Å; F199-I226 HydrophobicContact CE2-CG2 3.77Å; V224-I226 HydrophobicContact CG1-CG1 4.38Å; I226-L246 HydrophobicContact CG2-CD2 4.14Å; I226-L250 HydrophobicContact CD1-CD1 3.21Å; I226-L250 HydrophobicContact CD1-CD2 3.97Å; I226-L250 HydrophobicContact CD1-CG 4.16Å; I226-L250 HydrophobicContact CG2-CD1 4.49Å; I226-F254 HydrophobicContact CD1-CE2 4.22Å; I226-A260 HydrophobicContact CD1-CB 3.65Å; I226-A260 HydrophobicContact CG1-CB 4.09Å; I226-R261 PolarHBondContact N-O 3.06Å; I226-V262 HydrophobicContact CB-CB 4.44Å; I226-V262 HydrophobicContact CB-CG2 4.02Å; I226-V262 HydrophobicContact CD1-CG2 4.47Å; I226-V262 HydrophobicContact CG2-CG1 4.18Å; I226-V262 HydrophobicContact CG2-CG2 4.12Å; I226-V262 CarbonylContact O-C 3.59Å; I226-V262 WeakPolarHBondContact O-CA 3.11Å; I226-Y263 WeakPolarHBondContact O-CD2 3.39Å; I226-Y263 PolarHBondContact O-N 2.73Å
227V95.7Very high87.1Confident0 Ų031.6 Ų31.60%017%0.17CC..EExtended strand (participates in β ladder)trans-119.2112.6176.2172.80000107.7I196 L197 L198 F199 N229 Y263 F267 L288I196-V227 HydrophobicContact CG2-CB 4.04Å; I196-V227 HydrophobicContact CG2-CG2 3.49Å; I196-V227 VanDerWaalsContact CG2-CG2 3.49Å; L197-V227 PolarHBondContact O-N 3.24Å; L198-V227 WeakPolarHBondContact CA-O 3.31Å; L198-V227 HydrophobicContact CG-CB 4.29Å; F199-V227 PolarHBondContact N-O 3.28Å; V227-N229 HydrophobicContact CG1-CB 4.27Å; V227-N229 PolarHBondContact O-N 3.07Å; V227-Y263 CarbonylContact C-O 3.38Å; V227-Y263 WeakPolarHBondContact CA-O 3.4Å; V227-Y263 HydrophobicContact CG2-CD2 4.35Å; V227-F267 HydrophobicContact CG1-CD2 3.81Å; V227-F267 HydrophobicContact CG1-CE2 3.38Å; V227-F267 HydrophobicContact CG1-CZ 4.25Å; V227-L288 HydrophobicContact CG2-CD1 4.45Å; V227-L288 HydrophobicContact CG2-CD2 3.97Å
228L94.7Very high87.7Confident0 Ų035.5 Ų35.50%019%0.188CC..EExtended strand (participates in β ladder)trans-8692.2169.6-176.460.8000107.8F199 A201 L204 L239 V242 L246 V262 Y263 I264 G265F199-L228 HydrophobicContact CB-CD1 4.06Å; A201-L228 HydrophobicContact CB-CD1 3.96Å; A201-L228 HydrophobicContact CB-CG 4.09Å; L204-L228 HydrophobicContact CD2-CD1 3.9Å; L228-L239 HydrophobicContact CD2-CD1 4.04Å; L228-V242 HydrophobicContact CD1-CG1 4Å; L228-V242 HydrophobicContact CD2-CG1 3.83Å; L228-V242 HydrophobicContact CG-CG1 4.48Å; L228-L246 HydrophobicContact CD1-CD2 4.21Å; L228-V262 HydrophobicContact CB-CG1 4.2Å; L228-Y263 PolarHBondContact N-O 3.48Å; L228-I264 HydrophobicContact CB-CG1 4.45Å; L228-I264 HydrophobicContact CD2-CG1 4.46Å; L228-I264 HydrophobicContact CD2-CG2 4.41Å; L228-G265 PolarHBondContact O-N 2.96Å; L228-G265 VanDerWaalsContact O-N 3.14Å; L228-G265 VanDerWaalsContact O-O 3.12Å
229N93.8Very high88.5Confident5 Ų534.4 Ų34.43%0.02718%0.176CC..EExtended strand (participates in β ladder)trans-86.1161.2-175-161.616.9000111.6T69 F199 A201 V227 A231 G265 F267T69-N229 PolarHBondContact O-ND2 3.46Å; F199-N229 WeakPolarHBondContact O-CB 3.27Å; F199-N229 PolarHBondContact O-N 2.87Å; A201-N229 WeakPolarHBondContact CB-O 3.3Å; A201-N229 PolarHBondContact N-O 3.22Å; V227-N229 HydrophobicContact CG1-CB 4.27Å; V227-N229 PolarHBondContact O-N 3.07Å; N229-A231 PolarHBondContact O-N 3.5Å; N229-G265 CarbonylContact C-O 3.55Å; N229-G265 VanDerWaalsContact CA-O 3.31Å; N229-G265 WeakPolarHBondContact CA-O 3.41Å; N229-F267 WeakPolarHBondContact OD1-CD2 3.25Å; N229-F267 PolarHBondContact OD1-N 3.49Å; N229-F267 VanDerWaalsContact OD1-N 3.17Å
230K91.8Very high89.2Confident45 Ų4537.4 Ų37.420%0.19618%0.179CC..  trans58.833-176.4-48.6-173.2-167.5164.60113.2S68 D200 D232 M233 G265 S266S68-K230 WeakPolarHBondContact O-CE 3.31Å; S68-K230 PolarHBondContact O-NZ 3.41Å; D200-K230 WeakPolarHBondContact OD2-CE 3.25Å; D200-K230 IonicContact OD2-NZ 3.42Å; D200-K230 PolarHBondContact OD2-NZ 3.04Å; K230-D232 PolarHBondContact O-N 3.45Å; K230-M233 HydrophobicContact CB-CG 4.03Å; K230-M233 WeakPolarHBondContact O-CB 3.32Å; K230-M233 PolarHBondContact O-N 3.41Å; K230-M233 VanDerWaalsContact O-N 3.1Å; K230-G265 PolarHBondContact N-O 2.92Å; K230-G265 VanDerWaalsContact N-O 3.07Å; K230-S266 VanDerWaalsContact CA-OG 3.3Å; K230-S266 WeakPolarHBondContact CA-OG 3.27Å
231A90.1Very high89.8Confident0 Ų045.5 Ų45.50%021%0.209CC..G310 helixtrans-64.7-20.1-179.300000112.8N229 M233 V234 L239 I264 G265 S266 F281N229-A231 PolarHBondContact O-N 3.5Å; A231-M233 PolarHBondContact O-N 3.03Å; A231-V234 WeakPolarHBondContact O-CG2 3.44Å; A231-V234 PolarHBondContact O-N 3.26Å; A231-L239 HydrophobicContact CB-CD1 4.11Å; A231-I264 HydrophobicContact CB-CG2 3.54Å; A231-G265 PolarHBondContact N-O 3.4Å; A231-G265 VanDerWaalsContact N-O 3.14Å; A231-S266 PolarHBondContact N-OG 3.1Å; A231-S266 VanDerWaalsContact N-OG 3.13Å; A231-F281 HydrophobicContact CB-CD1 4.22Å; A231-F281 HydrophobicContact CB-CE1 3.49Å; A231-F281 VanDerWaalsContact CB-CE1 3.49Å; A231-F281 HydrophobicContact CB-CZ 3.7Å
232D89.2Confident90.2Very high0 Ų044 Ų440%020%0.203CC..G310 helixtrans-67.1-16.7172.975-56.6000114K230 V234 S266 W268 L272 H273 H274 F281K230-D232 PolarHBondContact O-N 3.45Å; D232-V234 VanDerWaalsContact C-N 3.27Å; D232-V234 PolarHBondContact O-N 3.34Å; D232-S266 WeakPolarHBondContact CB-OG 3.4Å; D232-S266 VanDerWaalsContact CG-OG 3.25Å; D232-S266 PolarHBondContact N-OG 2.83Å; D232-S266 VanDerWaalsContact N-OG 3.14Å; D232-S266 VanDerWaalsContact OD1-CB 3.32Å; D232-S266 WeakPolarHBondContact OD1-CB 3.5Å; D232-S266 PolarHBondContact OD1-OG 3.07Å; D232-W268 WeakPolarHBondContact OD2-CZ2 3.4Å; D232-L272 HydrophobicContact CB-CB 4.15Å; D232-L272 HydrophobicContact CB-CD2 3.74Å; D232-H273 IonicContact OD2-CE1 2.91Å; D232-H273 IonicContact OD2-CG 3.85Å; D232-H273 PolarHBondContact OD2-N 2.73Å; D232-H273 IonicContact OD2-ND1 2.86Å; D232-H273 PolarHBondContact OD2-ND1 2.82Å; D232-H274 WeakPolarHBondContact O-CB 3.49Å; D232-H274 PolarHBondContact O-N 2.66Å; D232-H274 VanDerWaalsContact O-N 3.09Å; D232-H274 PolarHBondContact O-ND1 2.82Å; D232-F281 HydrophobicContact CB-CE2 4.21Å
233M87.1Confident90.6Very high69 Ų6944.5 Ų44.534%0.3420%0.2SC..G310 helixtrans-78.8-9.2178-61.7-61.7-60.200113.5K230 A231 W268 H273K230-M233 HydrophobicContact CB-CG 4.03Å; K230-M233 WeakPolarHBondContact O-CB 3.32Å; K230-M233 PolarHBondContact O-N 3.41Å; K230-M233 VanDerWaalsContact O-N 3.1Å; A231-M233 PolarHBondContact O-N 3.03Å; M233-W268 HydrophobicContact SD-CH2 4.37Å; M233-H273 HydrophobicContact SD-CB 4.19Å; M233-H273 VanDerWaalsContact SD-CE1 3.58Å; M233-H273 VanDerWaalsContact SD-CG 3.56Å; M233-H273 PolarHBondContact SD-ND1 3.18Å
234V87.9Confident90.6Very high4 Ų446.3 Ų46.32%0.02422%0.219CC..SBendtrans-120.1143.2-177.5-65.60000110.9A201 A231 D232 Q238 L239A201-V234 HydrophobicContact CB-CG1 4.42Å; A201-V234 HydrophobicContact CB-CG2 4.12Å; A231-V234 WeakPolarHBondContact O-CG2 3.44Å; A231-V234 PolarHBondContact O-N 3.26Å; D232-V234 VanDerWaalsContact C-N 3.27Å; D232-V234 PolarHBondContact O-N 3.34Å; V234-Q238 HydrophobicContact CB-CB 3.98Å; V234-L239 HydrophobicContact CG2-CB 3.94Å; V234-L239 HydrophobicContact CG2-CD1 3.91Å
235D87.3Confident90.5Very high52 Ų5248.6 Ų48.628%0.27824%0.238SC..  trans-69.8170173.671.746.7000111.7Q237 Q238 L239D235-Q237 VanDerWaalsContact C-N 3.35Å; D235-Q237 PolarHBondContact O-N 3.47Å; D235-Q237 WeakPolarHBondContact OD1-CA 3.49Å; D235-Q237 PolarHBondContact OD1-N 2.87Å; D235-Q238 PolarHBondContact O-N 3.11Å; D235-Q238 WeakPolarHBondContact OD1-CB 3.4Å; D235-Q238 WeakPolarHBondContact OD1-CG 3.14Å; D235-Q238 PolarHBondContact OD1-N 3.48Å; D235-Q238 VanDerWaalsContact OD2-CD 3.24Å; D235-Q238 WeakPolarHBondContact OD2-CG 3.48Å; D235-Q238 PolarHBondContact OD2-NE2 3.09Å; D235-L239 WeakPolarHBondContact O-CB 3.42Å; D235-L239 PolarHBondContact O-N 3.39Å
236H86.6Confident90.4Very high91 Ų9146.2 Ų46.242%0.42123%0.229SC..Hα-helixtrans-58-40.8-179-178.184.7000113.7L239 M240 N277H236-L239 PolarHBondContact O-N 3.18Å; H236-M240 WeakPolarHBondContact O-CG 3.34Å; H236-M240 PolarHBondContact O-N 2.97Å; H236-N277 PolarHBondContact ND1-OD1 3.45Å
237Q88.1Confident90.1Very high135 Ų13548.1 Ų48.163%0.63124%0.239SC*.Hα-helixtrans-70.7-41-179.4-66.7-171.5-2.800111.5D235 M240 R241D235-Q237 VanDerWaalsContact C-N 3.35Å; D235-Q237 PolarHBondContact O-N 3.47Å; D235-Q237 WeakPolarHBondContact OD1-CA 3.49Å; D235-Q237 PolarHBondContact OD1-N 2.87Å; Q237-M240 PolarHBondContact O-N 2.95Å; Q237-R241 WeakPolarHBondContact O-CG 3.24Å; Q237-R241 PolarHBondContact O-N 2.98Å
238Q88.7Confident89.6Confident86 Ų8656.7 Ų56.740%0.40227%0.271SS..Hα-helixtrans-63.9-43.7175.1-70.2176.825.300110.6V234 D235 M240 R241 V242V234-Q238 HydrophobicContact CB-CB 3.98Å; D235-Q238 PolarHBondContact O-N 3.11Å; D235-Q238 WeakPolarHBondContact OD1-CB 3.4Å; D235-Q238 WeakPolarHBondContact OD1-CG 3.14Å; D235-Q238 PolarHBondContact OD1-N 3.48Å; D235-Q238 VanDerWaalsContact OD2-CD 3.24Å; D235-Q238 WeakPolarHBondContact OD2-CG 3.48Å; D235-Q238 PolarHBondContact OD2-NE2 3.09Å; Q238-M240 VanDerWaalsContact C-N 3.33Å; Q238-M240 PolarHBondContact O-N 2.75Å; Q238-R241 CarbonylContact O-C 3.59Å; Q238-R241 WeakPolarHBondContact O-CB 3.32Å; Q238-R241 PolarHBondContact O-N 3.22Å; Q238-R241 VanDerWaalsContact O-N 3.08Å; Q238-V242 WeakPolarHBondContact O-CB 3.01Å; Q238-V242 WeakPolarHBondContact O-CG2 3.42Å; Q238-V242 PolarHBondContact O-N 3.17Å
239L90.8Very high89.1Confident3 Ų358 Ų582%0.01628%0.28CS..Hα-helixtrans-56.4-46.4177.1-177.161.4000111.7L228 A231 V234 D235 H236 R241 V242 Y243 I264 N277 L280 F281L228-L239 HydrophobicContact CD2-CD1 4.04Å; A231-L239 HydrophobicContact CB-CD1 4.11Å; V234-L239 HydrophobicContact CG2-CB 3.94Å; V234-L239 HydrophobicContact CG2-CD1 3.91Å; D235-L239 WeakPolarHBondContact O-CB 3.42Å; D235-L239 PolarHBondContact O-N 3.39Å; H236-L239 PolarHBondContact O-N 3.18Å; L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R241 PolarHBondContact O-N 2.84Å; L239-V242 PolarHBondContact O-N 3.42Å; L239-Y243 VanDerWaalsContact O-CB 3.32Å; L239-Y243 WeakPolarHBondContact O-CB 3.5Å; L239-Y243 PolarHBondContact O-N 3.19Å; L239-I264 HydrophobicContact CD1-CG2 3.86Å; L239-I264 HydrophobicContact CD2-CG2 4.24Å; L239-N277 HydrophobicContact CD2-CB 4.5Å; L239-L280 HydrophobicContact CD2-CD2 4.22Å; L239-F281 HydrophobicContact CD2-CE1 3.97Å; L239-F281 HydrophobicContact CD2-CZ 4.4Å
240M90.2Very high88.7Confident111 Ų11158 Ų5855%0.54728%0.28SS..Hα-helixtrans-64.5-35.3177.7-65.1-56.8-75.500112.5H236 Q237 Q238 G244H236-M240 WeakPolarHBondContact O-CG 3.34Å; H236-M240 PolarHBondContact O-N 2.97Å; Q237-M240 PolarHBondContact O-N 2.95Å; Q238-M240 VanDerWaalsContact C-N 3.33Å; Q238-M240 PolarHBondContact O-N 2.75Å; M240-G244 PolarHBondContact O-N 2.65Å
241R90.9Very high88.3Confident181 Ų18158.5 Ų58.568%0.68330%0.298SS*.Hα-helixtrans-69.3-43.4174.2-70.1175.8-176.6-1794.2112.1Q237 Q238 L239 G244 A245Q237-R241 WeakPolarHBondContact O-CG 3.24Å; Q237-R241 PolarHBondContact O-N 2.98Å; Q238-R241 CarbonylContact O-C 3.59Å; Q238-R241 WeakPolarHBondContact O-CB 3.32Å; Q238-R241 PolarHBondContact O-N 3.22Å; Q238-R241 VanDerWaalsContact O-N 3.08Å; L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R241 PolarHBondContact O-N 2.84Å; R241-G244 PolarHBondContact O-N 3.3Å; R241-A245 WeakPolarHBondContact O-CB 3.27Å; R241-A245 PolarHBondContact O-N 2.56Å
242V91.1Very high88Confident22 Ų2265.3 Ų65.313%0.13333%0.328CS..Hα-helixtrans-60.9-50.6177.2162.30000109.2A201 L204 L228 Q238 L239 G244 A245 L246A201-V242 HydrophobicContact CB-CG1 4.25Å; A201-V242 WeakPolarHBondContact O-CG1 3.31Å; A201-V242 WeakPolarHBondContact O-CG2 2.87Å; L204-V242 VanDerWaalsContact CD1-CA 3.46Å; L204-V242 HydrophobicContact CD1-CB 3.77Å; L204-V242 HydrophobicContact CD1-CG1 3.44Å; L204-V242 VanDerWaalsContact CD1-CG1 3.44Å; L204-V242 HydrophobicContact CD1-CG2 4.06Å; L204-V242 WeakPolarHBondContact CD1-O 3.41Å; L204-V242 HydrophobicContact CD2-CG1 3.89Å; L204-V242 HydrophobicContact CG-CG1 3.81Å; L228-V242 HydrophobicContact CD1-CG1 4Å; L228-V242 HydrophobicContact CD2-CG1 3.83Å; L228-V242 HydrophobicContact CG-CG1 4.48Å; Q238-V242 WeakPolarHBondContact O-CB 3.01Å; Q238-V242 WeakPolarHBondContact O-CG2 3.42Å; Q238-V242 PolarHBondContact O-N 3.17Å; L239-V242 PolarHBondContact O-N 3.42Å; V242-G244 PolarHBondContact O-N 3.43Å; V242-A245 PolarHBondContact O-N 2.8Å; V242-L246 WeakPolarHBondContact O-CB 3.4Å; V242-L246 PolarHBondContact O-N 3.37Å
243Y90.7Very high87.6Confident77 Ų7765.8 Ų65.830%0.30233%0.331SS..Hα-helixtrans-56.4-48.9175.3-175.6-92.2000112L239 A245 L246 M247 V262 I264L239-Y243 VanDerWaalsContact O-CB 3.32Å; L239-Y243 WeakPolarHBondContact O-CB 3.5Å; L239-Y243 PolarHBondContact O-N 3.19Å; Y243-A245 PolarHBondContact O-N 2.99Å; Y243-L246 PolarHBondContact O-N 3.06Å; Y243-M247 HydrophobicContact CD1-CG 4.1Å; Y243-M247 HydrophobicContact CE1-CG 3.72Å; Y243-M247 HydrophobicContact CE2-CG 4.49Å; Y243-M247 WeakPolarHBondContact O-CB 3.47Å; Y243-M247 WeakPolarHBondContact O-CG 3.07Å; Y243-M247 PolarHBondContact O-N 3.19Å; Y243-V262 HydrophobicContact CD2-CG1 4.3Å; Y243-V262 HydrophobicContact CE2-CB 3.87Å; Y243-V262 HydrophobicContact CE2-CG1 3.93Å; Y243-V262 HydrophobicContact CE2-CG2 4.24Å; Y243-I264 HydrophobicContact CD2-CD1 3.63Å; Y243-I264 HydrophobicContact CD2-CG1 4.4Å; Y243-I264 HydrophobicContact CE2-CD1 3.97Å
244G89.7Confident87.3Confident39 Ų3963.6 Ų63.640%0.40232%0.319SS..Hα-helixtrans-60.9-42.8177.300000113.4M240 R241 V242 W248M240-G244 PolarHBondContact O-N 2.65Å; R241-G244 PolarHBondContact O-N 3.3Å; V242-G244 PolarHBondContact O-N 3.43Å; G244-W248 WeakPolarHBondContact O-CB 3.25Å; G244-W248 PolarHBondContact O-N 3.46Å
245A89.3Confident86.7Confident50 Ų5074 Ų7441%0.41336%0.358SS..Hα-helixtrans-66.2-41.5177.400000112.1L204 R241 V242 Y243 W248 S249L204-A245 HydrophobicContact CD1-CB 4.05Å; R241-A245 WeakPolarHBondContact O-CB 3.27Å; R241-A245 PolarHBondContact O-N 2.56Å; V242-A245 PolarHBondContact O-N 2.8Å; Y243-A245 PolarHBondContact O-N 2.99Å; A245-W248 PolarHBondContact O-N 3.15Å; A245-S249 WeakPolarHBondContact O-CB 3.48Å; A245-S249 PolarHBondContact O-N 2.88Å; A245-S249 PolarHBondContact O-OG 3.36Å
246L89.8Confident86Confident0 Ų073.9 Ų73.90%036%0.36CS..Hα-helixtrans-60.5-52.9174.7177.463000110.2F199 L204 I226 L228 V242 Y243 W248 S249 L250 V262F199-L246 HydrophobicContact CD1-CD1 3.44Å; F199-L246 VanDerWaalsContact CD1-CD1 3.44Å; F199-L246 HydrophobicContact CD2-CD1 4.09Å; F199-L246 HydrophobicContact CE1-CD1 3.47Å; F199-L246 VanDerWaalsContact CE1-CD1 3.47Å; F199-L246 HydrophobicContact CE2-CD1 4.14Å; F199-L246 HydrophobicContact CG-CD1 3.76Å; F199-L246 HydrophobicContact CG-CD2 4.45Å; F199-L246 HydrophobicContact CZ-CD1 3.86Å; L204-L246 HydrophobicContact CD1-CB 4.36Å; L204-L246 HydrophobicContact CD2-CB 4.25Å; L204-L246 HydrophobicContact CD2-CD1 4.4Å; I226-L246 HydrophobicContact CG2-CD2 4.14Å; L228-L246 HydrophobicContact CD1-CD2 4.21Å; V242-L246 WeakPolarHBondContact O-CB 3.4Å; V242-L246 PolarHBondContact O-N 3.37Å; Y243-L246 PolarHBondContact O-N 3.06Å; L246-W248 VanDerWaalsContact C-N 3.29Å; L246-W248 PolarHBondContact O-N 3.2Å; L246-S249 PolarHBondContact O-N 2.9Å; L246-S249 PolarHBondContact O-OG 2.83Å; L246-L250 HydrophobicContact CD1-CD1 3.8Å; L246-L250 HydrophobicContact CD1-CD2 4.36Å; L246-L250 HydrophobicContact CD1-CG 3.93Å; L246-L250 HydrophobicContact CD2-CD1 4.38Å; L246-L250 HydrophobicContact CG-CD1 3.67Å; L246-L250 HydrophobicContact CG-CG 4.25Å; L246-L250 WeakPolarHBondContact O-CB 3.43Å; L246-L250 VanDerWaalsContact O-CG 3.25Å; L246-L250 WeakPolarHBondContact O-CG 3.42Å; L246-L250 PolarHBondContact O-N 3.4Å; L246-V262 HydrophobicContact CD2-CG1 4.38Å
247M87.8Confident85.4Confident40 Ų4075.9 Ų75.920%0.19738%0.38CS..Hα-helixtrans-57.5-41.3178.5-73.5-51-55.100112.6Y243 L250 G251 V259 V262Y243-M247 HydrophobicContact CD1-CG 4.1Å; Y243-M247 HydrophobicContact CE1-CG 3.72Å; Y243-M247 HydrophobicContact CE2-CG 4.49Å; Y243-M247 WeakPolarHBondContact O-CB 3.47Å; Y243-M247 WeakPolarHBondContact O-CG 3.07Å; Y243-M247 PolarHBondContact O-N 3.19Å; M247-L250 HydrophobicContact SD-CD1 4.39Å; M247-G251 PolarHBondContact O-N 3.08Å; M247-V259 HydrophobicContact CE-CB 4.31Å; M247-V259 HydrophobicContact CE-CG1 3.45Å; M247-V259 VanDerWaalsContact CE-CG1 3.45Å; M247-V259 HydrophobicContact CE-CG2 4.19Å; M247-V262 HydrophobicContact SD-CG2 3.7Å
248W86.6Confident84.8Confident181 Ų18176.4 Ų76.469%0.68638%0.383SS*.Hα-helixtrans-62.8-43.2174.4179.3-104.2000112.6G244 A245 L246 K252G244-W248 WeakPolarHBondContact O-CB 3.25Å; G244-W248 PolarHBondContact O-N 3.46Å; A245-W248 PolarHBondContact O-N 3.15Å; L246-W248 VanDerWaalsContact C-N 3.29Å; L246-W248 PolarHBondContact O-N 3.2Å; W248-K252 VanDerWaalsContact NE1-CE 3.27Å; W248-K252 PolarHBondContact O-N 2.88Å
249S84.2Confident84.3Confident27 Ų2777.4 Ų77.419%0.18940%0.395CS..Hα-helixtrans-67-42.8178.971.80000112I206 A245 L246 K252 V253I206-S249 WeakPolarHBondContact CD1-OG 2.96Å; A245-S249 WeakPolarHBondContact O-CB 3.48Å; A245-S249 PolarHBondContact O-N 2.88Å; A245-S249 PolarHBondContact O-OG 3.36Å; L246-S249 PolarHBondContact O-N 2.9Å; L246-S249 PolarHBondContact O-OG 2.83Å; S249-K252 WeakPolarHBondContact O-CB 3.44Å; S249-K252 PolarHBondContact O-N 2.78Å; S249-V253 WeakPolarHBondContact O-CG2 3.36Å
250L85.4Confident84Confident4 Ų478.4 Ų78.42%0.02140%0.403CS..Hα-helixtrans-66.5-40178-66.4168.8000111.8F199 I214 I226 L246 M247 K252 V253 F254F199-L250 HydrophobicContact CE2-CD2 4.32Å; F199-L250 HydrophobicContact CZ-CD2 3.77Å; I214-L250 HydrophobicContact CD1-CD2 4.37Å; I226-L250 HydrophobicContact CD1-CD1 3.21Å; I226-L250 HydrophobicContact CD1-CD2 3.97Å; I226-L250 HydrophobicContact CD1-CG 4.16Å; I226-L250 HydrophobicContact CG2-CD1 4.49Å; L246-L250 HydrophobicContact CD1-CD1 3.8Å; L246-L250 HydrophobicContact CD1-CD2 4.36Å; L246-L250 HydrophobicContact CD1-CG 3.93Å; L246-L250 HydrophobicContact CD2-CD1 4.38Å; L246-L250 HydrophobicContact CG-CD1 3.67Å; L246-L250 HydrophobicContact CG-CG 4.25Å; L246-L250 WeakPolarHBondContact O-CB 3.43Å; L246-L250 VanDerWaalsContact O-CG 3.25Å; L246-L250 WeakPolarHBondContact O-CG 3.42Å; L246-L250 PolarHBondContact O-N 3.4Å; M247-L250 HydrophobicContact SD-CD1 4.39Å; L250-K252 PolarHBondContact O-N 3.37Å; L250-V253 PolarHBondContact O-N 3.31Å; L250-F254 HydrophobicContact CB-CD2 4.09Å; L250-F254 HydrophobicContact CB-CE2 4.32Å; L250-F254 HydrophobicContact CD2-CD2 4.46Å; L250-F254 HydrophobicContact CD2-CE2 3.93Å; L250-F254 PolarHBondContact O-N 2.88Å
251G83.4Confident84Confident56 Ų5677.5 Ų77.558%0.57739%0.394SS*.Hα-helixtrans-63.8-18.9176.100000114.2M247M247-G251 PolarHBondContact O-N 3.08Å
252K83.1Confident84.1Confident143 Ų14369 Ų6962%0.62236%0.362SS*.Hα-helixtrans-82.2-23.7170.9-69.9178.5177-177.90113.2W248 S249 L250W248-K252 VanDerWaalsContact NE1-CE 3.27Å; W248-K252 PolarHBondContact O-N 2.88Å; S249-K252 WeakPolarHBondContact O-CB 3.44Å; S249-K252 PolarHBondContact O-N 2.78Å; L250-K252 PolarHBondContact O-N 3.37Å
253V81.8Confident84.4Confident10 Ų1068.5 Ų68.56%0.06136%0.358CS..Hα-helixtrans-99-48.2-172-176.90000110.7R211 I214 E215 S249 L250 R255R211-V253 HydrophobicContact CG-CG1 4.07Å; R211-V253 HydrophobicContact CG-CG2 3.86Å; I214-V253 HydrophobicContact CB-CG1 3.85Å; I214-V253 HydrophobicContact CG2-CB 4.37Å; I214-V253 HydrophobicContact CG2-CG1 3.56Å; E215-V253 HydrophobicContact CG-CG1 3.59Å; S249-V253 WeakPolarHBondContact O-CG2 3.36Å; L250-V253 PolarHBondContact O-N 3.31Å; V253-R255 PolarHBondContact O-N 3.49Å
254F80.2Confident84.5Confident23 Ų2365.5 Ų65.510%0.10135%0.347CS..  trans-69.5128.5170.7-69.8-62.6000109.8L197 I214 E221 V224 I226 L250 T256L197-F254 HydrophobicContact CD1-CZ 4.07Å; I214-F254 HydrophobicContact CG2-CD1 4.39Å; I214-F254 HydrophobicContact CG2-CE1 3.76Å; I214-F254 HydrophobicContact CG2-CE2 4.04Å; I214-F254 HydrophobicContact CG2-CZ 3.55Å; E221-F254 HydrophobicContact CG-CD1 4.2Å; E221-F254 HydrophobicContact CG-CE1 4.49Å; V224-F254 HydrophobicContact CG1-CZ 4.06Å; I226-F254 HydrophobicContact CD1-CE2 4.22Å; L250-F254 HydrophobicContact CB-CD2 4.09Å; L250-F254 HydrophobicContact CB-CE2 4.32Å; L250-F254 HydrophobicContact CD2-CD2 4.46Å; L250-F254 HydrophobicContact CD2-CE2 3.93Å; L250-F254 PolarHBondContact O-N 2.88Å; F254-T256 VanDerWaalsContact C-N 3.26Å
255R74Confident84.5Confident223 Ų22363.7 Ų63.784%0.84233%0.328SS*.  trans-87.62.8179.9-60.8-176.7-175.5177.83112.9V253V253-R255 PolarHBondContact O-N 3.49Å
256T73.8Confident84.6Confident50 Ų5061.8 Ų61.831%0.30731%0.312SS..SBendtrans-100.6147.3178.855.10000109.8E221 F254 E258E221-T256 HydrophobicContact CG-CG2 4.39Å; F254-T256 VanDerWaalsContact C-N 3.26Å; T256-E258 PolarHBondContact O-N 3.03Å
257P74Confident84.5Confident132 Ų13261.8 Ų61.886%0.85731%0.312SS*.SBendtrans-73.7-7.7174.231.8-35.6000112.7V259P257-V259 PolarHBondContact O-N 3.15Å
258E75.7Confident84.1Confident146 Ų14663 Ų6368%0.68231%0.314SS*.  trans-74.1125.7-177.2-65-177.2-178.700110.9T256 A260T256-E258 PolarHBondContact O-N 3.03Å; E258-A260 PolarHBondContact O-N 3.03Å
259V77.6Confident83.6Confident108 Ų10858.7 Ų58.766%0.65531%0.305SS*.  trans-77115.7176168.30000108.8M247 P257M247-V259 HydrophobicContact CE-CB 4.31Å; M247-V259 HydrophobicContact CE-CG1 3.45Å; M247-V259 VanDerWaalsContact CE-CG1 3.45Å; M247-V259 HydrophobicContact CE-CG2 4.19Å; P257-V259 PolarHBondContact O-N 3.15Å
260A83.9Confident83.2Confident23 Ų2362.3 Ų62.319%0.1932%0.319CS..PPolyproline II helixtrans-60.9138.317200000110.6I226 E258 V262I226-A260 HydrophobicContact CD1-CB 3.65Å; I226-A260 HydrophobicContact CG1-CB 4.09Å; E258-A260 PolarHBondContact O-N 3.03Å; A260-V262 PolarHBondContact O-N 2.83Å
261R91.2Very high82.8Confident93 Ų9367 Ų6735%0.35135%0.35SS..PPolyproline II helixtrans-64.9122.2173.7-179.165.9168.4132.3-11.5109I226 Y263 E284 D287I226-R261 PolarHBondContact N-O 3.06Å; R261-Y263 HydrophobicContact CG-CD1 4.42Å; R261-Y263 HydrophobicContact CG-CD2 4.42Å; R261-Y263 HydrophobicContact CG-CE1 3.86Å; R261-Y263 HydrophobicContact CG-CE2 3.87Å; R261-E284 IonicContact CZ-OE1 3.41Å; R261-E284 IonicContact CZ-OE2 2.68Å; R261-E284 VanDerWaalsContact NH1-CD 3.34Å; R261-E284 IonicContact NH1-OE1 2.62Å; R261-E284 PolarHBondContact NH1-OE1 3.41Å; R261-E284 IonicContact NH1-OE2 3.02Å; R261-E284 PolarHBondContact NH1-OE2 2.91Å; R261-E284 IonicContact NH2-OE1 3.26Å; R261-E284 PolarHBondContact NH2-OE1 2.93Å; R261-E284 IonicContact NH2-OE2 2.89Å; R261-E284 PolarHBondContact NH2-OE2 3.43Å; R261-D287 IonicContact CZ-OD2 2.75Å; R261-D287 IonicContact NH2-OD2 2.77Å; R261-D287 PolarHBondContact NH2-OD2 2.95Å
262V93.8Very high82.7Confident3 Ų367 Ų672%0.01834%0.336CS..EExtended strand (participates in β ladder)trans-103.2126.8173.1-176.30000107.8I226 L228 Y243 L246 M247 A260 I264I226-V262 HydrophobicContact CB-CB 4.44Å; I226-V262 HydrophobicContact CB-CG2 4.02Å; I226-V262 HydrophobicContact CD1-CG2 4.47Å; I226-V262 HydrophobicContact CG2-CG1 4.18Å; I226-V262 HydrophobicContact CG2-CG2 4.12Å; I226-V262 CarbonylContact O-C 3.59Å; I226-V262 WeakPolarHBondContact O-CA 3.11Å; L228-V262 HydrophobicContact CB-CG1 4.2Å; Y243-V262 HydrophobicContact CD2-CG1 4.3Å; Y243-V262 HydrophobicContact CE2-CB 3.87Å; Y243-V262 HydrophobicContact CE2-CG1 3.93Å; Y243-V262 HydrophobicContact CE2-CG2 4.24Å; L246-V262 HydrophobicContact CD2-CG1 4.38Å; M247-V262 HydrophobicContact SD-CG2 3.7Å; A260-V262 PolarHBondContact O-N 2.83Å; V262-I264 HydrophobicContact CG1-CG1 4.23Å
263Y95.7Very high82.5Confident10 Ų1065.4 Ų65.44%0.03933%0.331CS..EExtended strand (participates in β ladder)trans-101.9132.9170-56.1-81.1000108.8R225 I226 V227 L228 R261 E284 D287 L288R225-Y263 HydrophobicContact CB-CD2 4.38Å; R225-Y263 HydrophobicContact CB-CE2 3.86Å; R225-Y263 HydrophobicContact CG-CE2 3.94Å; I226-Y263 WeakPolarHBondContact O-CD2 3.39Å; I226-Y263 PolarHBondContact O-N 2.73Å; V227-Y263 CarbonylContact C-O 3.38Å; V227-Y263 WeakPolarHBondContact CA-O 3.4Å; V227-Y263 HydrophobicContact CG2-CD2 4.35Å; L228-Y263 PolarHBondContact N-O 3.48Å; R261-Y263 HydrophobicContact CG-CD1 4.42Å; R261-Y263 HydrophobicContact CG-CD2 4.42Å; R261-Y263 HydrophobicContact CG-CE1 3.86Å; R261-Y263 HydrophobicContact CG-CE2 3.87Å; Y263-E284 WeakPolarHBondContact CA-OE2 2.98Å; Y263-E284 WeakPolarHBondContact CD1-O 3.32Å; Y263-D287 HydrophobicContact CD1-CB 4.29Å; Y263-D287 HydrophobicContact CE1-CB 3.9Å; Y263-L288 HydrophobicContact CD1-CB 3.73Å; Y263-L288 HydrophobicContact CD2-CB 4.33Å; Y263-L288 HydrophobicContact CD2-CD1 3.7Å; Y263-L288 HydrophobicContact CD2-CG 4.47Å; Y263-L288 HydrophobicContact CE1-CB 4Å; Y263-L288 HydrophobicContact CE2-CD1 3.7Å; Y263-L288 HydrophobicContact CG-CB 3.89Å; Y263-L288 HydrophobicContact CG-CD1 4.14Å; Y263-L288 HydrophobicContact CG-CG 4.43Å
264I93.4Very high82.4Confident15 Ų1568.8 Ų68.88%0.07735%0.345CS..EExtended strand (participates in β ladder)trans-115.8126.1-174.4-53.6178.9000108.6L228 A231 L239 Y243 V262 F281 E284L228-I264 HydrophobicContact CB-CG1 4.45Å; L228-I264 HydrophobicContact CD2-CG1 4.46Å; L228-I264 HydrophobicContact CD2-CG2 4.41Å; A231-I264 HydrophobicContact CB-CG2 3.54Å; L239-I264 HydrophobicContact CD1-CG2 3.86Å; L239-I264 HydrophobicContact CD2-CG2 4.24Å; Y243-I264 HydrophobicContact CD2-CD1 3.63Å; Y243-I264 HydrophobicContact CD2-CG1 4.4Å; Y243-I264 HydrophobicContact CE2-CD1 3.97Å; V262-I264 HydrophobicContact CG1-CG1 4.23Å; I264-F281 HydrophobicContact CG2-CD1 4.08Å; I264-F281 HydrophobicContact CG2-CE1 3.84Å; I264-E284 HydrophobicContact CB-CG 4.49Å; I264-E284 WeakPolarHBondContact O-CB 3.35Å
265G90.9Very high82.3Confident1 Ų171.7 Ų71.71%0.0136%0.362CS..SBendtrans175.4-167.417700000113.6L228 N229 K230 A231L228-G265 PolarHBondContact O-N 2.96Å; L228-G265 VanDerWaalsContact O-N 3.14Å; L228-G265 VanDerWaalsContact O-O 3.12Å; N229-G265 CarbonylContact C-O 3.55Å; N229-G265 VanDerWaalsContact CA-O 3.31Å; N229-G265 WeakPolarHBondContact CA-O 3.41Å; K230-G265 PolarHBondContact N-O 2.92Å; K230-G265 VanDerWaalsContact N-O 3.07Å; A231-G265 PolarHBondContact N-O 3.4Å; A231-G265 VanDerWaalsContact N-O 3.14Å
266S89.7Confident82.6Confident10 Ų1067 Ų677%0.0735%0.352CS..  trans-133.9103.4177-65.70000109.4K230 A231 D232 W268K230-S266 VanDerWaalsContact CA-OG 3.3Å; K230-S266 WeakPolarHBondContact CA-OG 3.27Å; A231-S266 PolarHBondContact N-OG 3.1Å; A231-S266 VanDerWaalsContact N-OG 3.13Å; D232-S266 WeakPolarHBondContact CB-OG 3.4Å; D232-S266 VanDerWaalsContact CG-OG 3.25Å; D232-S266 PolarHBondContact N-OG 2.83Å; D232-S266 VanDerWaalsContact N-OG 3.14Å; D232-S266 VanDerWaalsContact OD1-CB 3.32Å; D232-S266 WeakPolarHBondContact OD1-CB 3.5Å; D232-S266 PolarHBondContact OD1-OG 3.07Å; S266-W268 PolarHBondContact O-N 3.47Å
267F87.8Confident83Confident0 Ų065.3 Ų65.30%034%0.341CS..  trans-9568.7-170.9-59.3-87.1000110.7F74 Y77 V227 N229 Q285 L288 F289F74-F267 HydrophobicContact CD2-CB 3.48Å; F74-F267 VanDerWaalsContact CD2-CB 3.48Å; F74-F267 HydrophobicContact CD2-CD1 4.04Å; F74-F267 HydrophobicContact CD2-CD2 4.01Å; F74-F267 AromaticContact CD2-CG 3.56Å; F74-F267 HydrophobicContact CD2-CG 3.56Å; F74-F267 HydrophobicContact CE2-CB 4.04Å; F74-F267 AromaticContact CE2-CD1 3.68Å; F74-F267 HydrophobicContact CE2-CD1 3.68Å; F74-F267 HydrophobicContact CE2-CD2 4.09Å; F74-F267 HydrophobicContact CE2-CE1 4.14Å; F74-F267 AromaticContact CE2-CG 3.64Å; F74-F267 HydrophobicContact CE2-CG 3.64Å; Y77-F267 HydrophobicContact CD1-CB 3.84Å; Y77-F267 HydrophobicContact CD1-CD1 4.19Å; Y77-F267 HydrophobicContact CE1-CB 4.25Å; Y77-F267 HydrophobicContact CE1-CD1 4.02Å; Y77-F267 HydrophobicContact CG-CB 4.35Å; V227-F267 HydrophobicContact CG1-CD2 3.81Å; V227-F267 HydrophobicContact CG1-CE2 3.38Å; V227-F267 HydrophobicContact CG1-CZ 4.25Å; N229-F267 WeakPolarHBondContact OD1-CD2 3.25Å; N229-F267 PolarHBondContact OD1-N 3.49Å; N229-F267 VanDerWaalsContact OD1-N 3.17Å; F267-Q285 HydrophobicContact CE1-CB 4.09Å; F267-Q285 HydrophobicContact CE1-CG 3.99Å; F267-L288 HydrophobicContact CD1-CD2 4.44Å; F267-L288 HydrophobicContact CE1-CD2 3.57Å; F267-L288 HydrophobicContact CE2-CD2 4.4Å; F267-L288 HydrophobicContact CZ-CD2 3.55Å; F267-F289 HydrophobicContact CD1-CE1 4.48Å; F267-F289 HydrophobicContact CE1-CE1 4.43Å
268W79.9Confident83.4Confident64 Ų6464.4 Ų64.424%0.24232%0.321CS..SBendtrans-148.4168-179.462.8-2.2000111.2T73 D232 M233 S266 Q270 H273T73-W268 HydrophobicContact CG2-CB 3.83Å; D232-W268 WeakPolarHBondContact OD2-CZ2 3.4Å; M233-W268 HydrophobicContact SD-CH2 4.37Å; S266-W268 PolarHBondContact O-N 3.47Å; W268-Q270 VanDerWaalsContact C-N 3.29Å; W268-Q270 HydrophobicContact CD2-CB 3.98Å; W268-Q270 HydrophobicContact CD2-CG 4.21Å; W268-Q270 HydrophobicContact CE3-CB 4.37Å; W268-Q270 HydrophobicContact CE3-CG 4.19Å; W268-Q270 HydrophobicContact CG-CB 4.26Å; W268-Q270 HydrophobicContact CZ2-CB 4.41Å; W268-Q270 PolarHBondContact O-N 3.5Å; W268-H273 AromaticContact CH2-CE1 3.66Å; W268-H273 AromaticContact CZ2-CE1 3.66Å; W268-H273 AromaticContact CZ2-ND1 3.74Å
269D75.6Confident83.7Confident92 Ų9263.3 Ų63.349%0.49231%0.31SS..SBendtrans-87.59.7-177.258.5-4000113.7R76R76-D269 IonicContact CZ-OD2 3.63Å; R76-D269 IonicContact NH1-OD2 3.44Å; R76-D269 IonicContact NH2-OD2 2.62Å; R76-D269 PolarHBondContact NH2-OD2 3.38Å
270Q77.4Confident84.1Confident102 Ų10261 Ų6148%0.47729%0.294SS..SBendtrans-97.1150.2-175.6-58.6-56.2-52.500112.3W268 L272W268-Q270 VanDerWaalsContact C-N 3.29Å; W268-Q270 HydrophobicContact CD2-CB 3.98Å; W268-Q270 HydrophobicContact CD2-CG 4.21Å; W268-Q270 HydrophobicContact CE3-CB 4.37Å; W268-Q270 HydrophobicContact CE3-CG 4.19Å; W268-Q270 HydrophobicContact CG-CB 4.26Å; W268-Q270 HydrophobicContact CZ2-CB 4.41Å; W268-Q270 PolarHBondContact O-N 3.5Å; Q270-L272 PolarHBondContact O-N 3.34Å
271P76.2Confident84.3Confident104 Ų10460.3 Ų60.368%0.67529%0.287SS*.PPolyproline II helixtrans-54.7138.8172.4-23.733.3000111.9H273P271-H273 PolarHBondContact O-N 3.26Å
272L80.7Confident84Confident55 Ų5559.8 Ų59.829%0.28829%0.288SS..PPolyproline II helixtrans-62.6130.9175.8-60.2175.6000110.1D232 Q270 D275 R278 F281D232-L272 HydrophobicContact CB-CB 4.15Å; D232-L272 HydrophobicContact CB-CD2 3.74Å; Q270-L272 PolarHBondContact O-N 3.34Å; L272-D275 HydrophobicContact CB-CB 4.45Å; L272-D275 HydrophobicContact CD1-CB 4.39Å; L272-R278 HydrophobicContact CD1-CB 4.19Å; L272-R278 HydrophobicContact CD1-CG 3.99Å; L272-F281 HydrophobicContact CD1-CD2 4.41Å
273H79.3Confident83.5Confident110 Ų11062.3 Ų62.351%0.50930%0.302SS..SBendtrans-70.4-42.3176.8-66.375.1000111.7D232 M233 W268 P271D232-H273 IonicContact OD2-CE1 2.91Å; D232-H273 IonicContact OD2-CG 3.85Å; D232-H273 PolarHBondContact OD2-N 2.73Å; D232-H273 IonicContact OD2-ND1 2.86Å; D232-H273 PolarHBondContact OD2-ND1 2.82Å; M233-H273 HydrophobicContact SD-CB 4.19Å; M233-H273 VanDerWaalsContact SD-CE1 3.58Å; M233-H273 VanDerWaalsContact SD-CG 3.56Å; M233-H273 PolarHBondContact SD-ND1 3.18Å; W268-H273 AromaticContact CH2-CE1 3.66Å; W268-H273 AromaticContact CZ2-CE1 3.66Å; W268-H273 AromaticContact CZ2-ND1 3.74Å; P271-H273 PolarHBondContact O-N 3.26Å
274H78.9Confident83.3Confident80 Ų8062.9 Ų62.937%0.3731%0.305SS..  trans-123.7121.8169.4-57.290.4000109.4D232D232-H274 WeakPolarHBondContact O-CB 3.49Å; D232-H274 PolarHBondContact O-N 2.66Å; D232-H274 VanDerWaalsContact O-N 3.09Å; D232-H274 PolarHBondContact O-ND1 2.82Å
275D79.1Confident83.1Confident85 Ų8563.7 Ų63.746%0.45531%0.309SS..  trans-104.76.1-178.169.7-17.6000113.7L272 N277 R278L272-D275 HydrophobicContact CB-CB 4.45Å; L272-D275 HydrophobicContact CD1-CB 4.39Å; D275-N277 PolarHBondContact O-N 3Å; D275-N277 VanDerWaalsContact O-N 3.15Å; D275-R278 HydrophobicContact CB-CB 4.28Å; D275-R278 WeakPolarHBondContact O-CB 3.48Å; D275-R278 PolarHBondContact O-N 3.24Å; D275-R278 IonicContact OD2-CZ 3.51Å; D275-R278 IonicContact OD2-NE 3.82Å; D275-R278 IonicContact OD2-NH2 3.17Å; D275-R278 PolarHBondContact OD2-NH2 3.14Å
276I80.9Confident82.9Confident123 Ų12365.6 Ų65.663%0.63132%0.317SS*.THydrogen-bonded Turntrans-52.9-38.2176.1-62.3172.3000111.4
277N82.1Confident82.9Confident15 Ų1568.3 Ų68.38%0.0833%0.331CS..THydrogen-bonded Turntrans-101.719.3179.4-60.6-47.6000112.7H236 L239 D275 R279 L280 F281H236-N277 PolarHBondContact ND1-OD1 3.45Å; L239-N277 HydrophobicContact CD2-CB 4.5Å; D275-N277 PolarHBondContact O-N 3Å; D275-N277 VanDerWaalsContact O-N 3.15Å; N277-R279 VanDerWaalsContact C-N 3.32Å; N277-R279 PolarHBondContact O-N 2.84Å; N277-L280 HydrophobicContact CB-CB 4.42Å; N277-L280 HydrophobicContact CB-CD2 4.49Å; N277-L280 WeakPolarHBondContact O-CB 3.37Å; N277-L280 PolarHBondContact O-N 3.27Å; N277-F281 HydrophobicContact CB-CD1 4.42Å; N277-F281 HydrophobicContact CB-CE1 3.82Å; N277-F281 HydrophobicContact CB-CE2 4.03Å; N277-F281 HydrophobicContact CB-CZ 3.62Å; N277-F281 WeakPolarHBondContact O-CG 3.36Å; N277-F281 PolarHBondContact O-N 3.35Å
278R82.5Confident83.2Confident113 Ų11368.3 Ų68.343%0.42633%0.331SS..Hα-helixtrans-50.8-50.4-175.7178.7-173.1-56.9-1443.9112.3L272 D275 L280 F281 E282L272-R278 HydrophobicContact CD1-CB 4.19Å; L272-R278 HydrophobicContact CD1-CG 3.99Å; D275-R278 HydrophobicContact CB-CB 4.28Å; D275-R278 WeakPolarHBondContact O-CB 3.48Å; D275-R278 PolarHBondContact O-N 3.24Å; D275-R278 IonicContact OD2-CZ 3.51Å; D275-R278 IonicContact OD2-NE 3.82Å; D275-R278 IonicContact OD2-NH2 3.17Å; D275-R278 PolarHBondContact OD2-NH2 3.14Å; R278-L280 VanDerWaalsContact C-N 3.32Å; R278-L280 PolarHBondContact O-N 3Å; R278-F281 WeakPolarHBondContact O-CA 3.33Å; R278-F281 WeakPolarHBondContact O-CB 3.38Å; R278-F281 PolarHBondContact O-N 3.47Å; R278-E282 WeakPolarHBondContact CD-OE1 3.39Å; R278-E282 HydrophobicContact CG-CG 4.38Å; R278-E282 VanDerWaalsContact CG-OE1 3.23Å; R278-E282 WeakPolarHBondContact CG-OE1 3.08Å; R278-E282 WeakPolarHBondContact O-CG 3.25Å; R278-E282 PolarHBondContact O-N 3.2Å
279R80.6Confident83.7Confident123 Ų12365.5 Ų65.546%0.46432%0.32SS..Hα-helixtrans-58-43.1179.5-175.5172.2177179.40.7112.6N277 F281 E282 D283N277-R279 VanDerWaalsContact C-N 3.32Å; N277-R279 PolarHBondContact O-N 2.84Å; R279-F281 VanDerWaalsContact C-N 3.3Å; R279-F281 PolarHBondContact O-N 2.99Å; R279-E282 PolarHBondContact O-N 3.5Å; R279-D283 WeakPolarHBondContact O-CB 3.44Å; R279-D283 PolarHBondContact O-N 2.65Å
280L85.8Confident84.3Confident60 Ų6065 Ų6531%0.31432%0.317SS..Hα-helixtrans-60.4-41.5175173.367.3000111.4L239 N277 R278 E284L239-L280 HydrophobicContact CD2-CD2 4.22Å; N277-L280 HydrophobicContact CB-CB 4.42Å; N277-L280 HydrophobicContact CB-CD2 4.49Å; N277-L280 WeakPolarHBondContact O-CB 3.37Å; N277-L280 PolarHBondContact O-N 3.27Å; R278-L280 VanDerWaalsContact C-N 3.32Å; R278-L280 PolarHBondContact O-N 3Å; L280-E284 HydrophobicContact CD1-CG 4.07Å; L280-E284 WeakPolarHBondContact O-CB 3.27Å; L280-E284 VanDerWaalsContact O-CG 3.31Å; L280-E284 WeakPolarHBondContact O-CG 3.45Å; L280-E284 PolarHBondContact O-N 2.92Å
281F88.6Confident85Confident8 Ų861.2 Ų61.24%0.03530%0.3CS..Hα-helixtrans-67.3-40.6178.9-56.1-27.3000111.9A231 D232 L239 I264 L272 N277 R278 R279 Q285A231-F281 HydrophobicContact CB-CD1 4.22Å; A231-F281 HydrophobicContact CB-CE1 3.49Å; A231-F281 VanDerWaalsContact CB-CE1 3.49Å; A231-F281 HydrophobicContact CB-CZ 3.7Å; D232-F281 HydrophobicContact CB-CE2 4.21Å; L239-F281 HydrophobicContact CD2-CE1 3.97Å; L239-F281 HydrophobicContact CD2-CZ 4.4Å; I264-F281 HydrophobicContact CG2-CD1 4.08Å; I264-F281 HydrophobicContact CG2-CE1 3.84Å; L272-F281 HydrophobicContact CD1-CD2 4.41Å; N277-F281 HydrophobicContact CB-CD1 4.42Å; N277-F281 HydrophobicContact CB-CE1 3.82Å; N277-F281 HydrophobicContact CB-CE2 4.03Å; N277-F281 HydrophobicContact CB-CZ 3.62Å; N277-F281 WeakPolarHBondContact O-CG 3.36Å; N277-F281 PolarHBondContact O-N 3.35Å; R278-F281 WeakPolarHBondContact O-CA 3.33Å; R278-F281 WeakPolarHBondContact O-CB 3.38Å; R278-F281 PolarHBondContact O-N 3.47Å; R279-F281 VanDerWaalsContact C-N 3.3Å; R279-F281 PolarHBondContact O-N 2.99Å; F281-Q285 WeakPolarHBondContact O-CB 3.48Å; F281-Q285 PolarHBondContact O-N 2.77Å
282E85.2Confident85.8Confident82 Ų8256.2 Ų56.238%0.38327%0.267SS..Hα-helixtrans-64.2-45.8175.9-71.5167.5178.500111.4R278 R279 Q285 H286 F436R278-E282 WeakPolarHBondContact CD-OE1 3.39Å; R278-E282 HydrophobicContact CG-CG 4.38Å; R278-E282 VanDerWaalsContact CG-OE1 3.23Å; R278-E282 WeakPolarHBondContact CG-OE1 3.08Å; R278-E282 WeakPolarHBondContact O-CG 3.25Å; R278-E282 PolarHBondContact O-N 3.2Å; R279-E282 PolarHBondContact O-N 3.5Å; E282-Q285 PolarHBondContact O-N 3.47Å; E282-H286 WeakPolarHBondContact O-CB 3.48Å; E282-H286 PolarHBondContact O-N 2.78Å; E282-F436 HydrophobicContact CB-CD2 4.25Å; E282-F436 HydrophobicContact CB-CE2 4.21Å
283D83.6Confident86.2Confident56 Ų5654.8 Ų54.830%0.29926%0.259SS..Hα-helixtrans-58.2-50.3176.2-66.4-13.5000110.8R279 H286 D287 F436R279-D283 WeakPolarHBondContact O-CB 3.44Å; R279-D283 PolarHBondContact O-N 2.65Å; D283-H286 PolarHBondContact O-N 3.06Å; D283-D287 PolarHBondContact O-N 3.34Å; D283-F436 HydrophobicContact CB-CE2 4.33Å; D283-F436 HydrophobicContact CB-CZ 4.27Å; D283-F436 WeakPolarHBondContact OD1-CE2 3.12Å; D283-F436 WeakPolarHBondContact OD1-CZ 3.39Å
284E91.7Very high86.6Confident23 Ų2350.7 Ų50.711%0.10724%0.243CC..Hα-helixtrans-70.4-33.3-178.5-72.6-67.7151.600113R261 Y263 I264 L280 L288R261-E284 IonicContact CZ-OE1 3.41Å; R261-E284 IonicContact CZ-OE2 2.68Å; R261-E284 VanDerWaalsContact NH1-CD 3.34Å; R261-E284 IonicContact NH1-OE1 2.62Å; R261-E284 PolarHBondContact NH1-OE1 3.41Å; R261-E284 IonicContact NH1-OE2 3.02Å; R261-E284 PolarHBondContact NH1-OE2 2.91Å; R261-E284 IonicContact NH2-OE1 3.26Å; R261-E284 PolarHBondContact NH2-OE1 2.93Å; R261-E284 IonicContact NH2-OE2 2.89Å; R261-E284 PolarHBondContact NH2-OE2 3.43Å; Y263-E284 WeakPolarHBondContact CA-OE2 2.98Å; Y263-E284 WeakPolarHBondContact CD1-O 3.32Å; I264-E284 HydrophobicContact CB-CG 4.49Å; I264-E284 WeakPolarHBondContact O-CB 3.35Å; L280-E284 HydrophobicContact CD1-CG 4.07Å; L280-E284 WeakPolarHBondContact O-CB 3.27Å; L280-E284 VanDerWaalsContact O-CG 3.31Å; L280-E284 WeakPolarHBondContact O-CG 3.45Å; L280-E284 PolarHBondContact O-N 2.92Å; E284-L288 WeakPolarHBondContact O-CB 3.4Å; E284-L288 PolarHBondContact O-N 3.3Å
285Q89.4Confident87.1Confident32 Ų3247 Ų4715%0.1523%0.226CC..Hα-helixtrans-65.5-45172.6171.3174-19.400111.2Y77 F267 F281 E282 D287 L288 F289Y77-Q285 PolarHBondContact OH-NE2 3.19Å; F267-Q285 HydrophobicContact CE1-CB 4.09Å; F267-Q285 HydrophobicContact CE1-CG 3.99Å; F281-Q285 WeakPolarHBondContact O-CB 3.48Å; F281-Q285 PolarHBondContact O-N 2.77Å; E282-Q285 PolarHBondContact O-N 3.47Å; Q285-D287 VanDerWaalsContact C-N 3.34Å; Q285-D287 PolarHBondContact O-N 2.67Å; Q285-L288 PolarHBondContact O-N 3.07Å; Q285-F289 HydrophobicContact CG-CD1 4.44Å; Q285-F289 HydrophobicContact CG-CD2 4.21Å; Q285-F289 HydrophobicContact CG-CE1 4.12Å; Q285-F289 HydrophobicContact CG-CE2 3.88Å; Q285-F289 HydrophobicContact CG-CZ 3.86Å; Q285-F289 VanDerWaalsContact NE2-CE2 3.31Å; Q285-F289 WeakPolarHBondContact O-CD1 3.47Å; Q285-F289 WeakPolarHBondContact O-CG 3.35Å; Q285-F289 PolarHBondContact O-N 3.35Å
286H85.9Confident87.5Confident40 Ų4043.9 Ų43.919%0.18521%0.21CC..Hα-helixtrans-58.9-46.7177.1-175.872.2000111.1E282 D283 L288 F289 I290 F436E282-H286 WeakPolarHBondContact O-CB 3.48Å; E282-H286 PolarHBondContact O-N 2.78Å; D283-H286 PolarHBondContact O-N 3.06Å; H286-L288 PolarHBondContact O-N 2.89Å; H286-F289 PolarHBondContact O-N 3.21Å; H286-I290 VanDerWaalsContact NE2-CD1 3.34Å; H286-I290 WeakPolarHBondContact NE2-CD1 3.3Å; H286-I290 WeakPolarHBondContact O-CG1 3.43Å; H286-I290 PolarHBondContact O-N 3.45Å; H286-F436 HydrophobicContact CB-CD1 4.21Å; H286-F436 HydrophobicContact CB-CD2 4.1Å; H286-F436 HydrophobicContact CB-CE1 4.39Å; H286-F436 HydrophobicContact CB-CE2 4.3Å; H286-F436 HydrophobicContact CB-CG 4.05Å; H286-F436 HydrophobicContact CB-CZ 4.43Å; H286-F436 AromaticContact CD2-CD1 3.63Å; H286-F436 AromaticContact CD2-CE1 3.77Å; H286-F436 AromaticContact CE1-CD1 3.97Å; H286-F436 AromaticContact CG-CD1 3.67Å; H286-F436 AromaticContact CG-CG 3.84Å; H286-F436 AromaticContact ND1-CD1 3.9Å; H286-F436 AromaticContact ND1-CG 3.92Å; H286-F436 AromaticContact NE2-CD1 3.82Å
287D90.5Very high87.6Confident68 Ų6843.4 Ų43.436%0.36420%0.201SC..Hα-helixtrans-59.7-42.5175.6-85.40.3000112.8R261 Y263 D283 Q285 F289 D291R261-D287 IonicContact CZ-OD2 2.75Å; R261-D287 IonicContact NH2-OD2 2.77Å; R261-D287 PolarHBondContact NH2-OD2 2.95Å; Y263-D287 HydrophobicContact CD1-CB 4.29Å; Y263-D287 HydrophobicContact CE1-CB 3.9Å; D283-D287 PolarHBondContact O-N 3.34Å; Q285-D287 VanDerWaalsContact C-N 3.34Å; Q285-D287 PolarHBondContact O-N 2.67Å; D287-F289 VanDerWaalsContact C-N 3.33Å; D287-D291 PolarHBondContact O-N 3.33Å; D287-D291 VanDerWaalsContact O-N 3.09Å
288L93.3Very high87.8Confident0 Ų044.9 Ų44.90%021%0.208CC..Hα-helixtrans-61.9-44.2175.7176.360.3000110.7F74 V227 Y263 F267 E284 Q285 H286 D291 L292F74-L288 HydrophobicContact CE2-CD2 3.85Å; F74-L288 HydrophobicContact CZ-CD2 3.87Å; V227-L288 HydrophobicContact CG2-CD1 4.45Å; V227-L288 HydrophobicContact CG2-CD2 3.97Å; Y263-L288 HydrophobicContact CD1-CB 3.73Å; Y263-L288 HydrophobicContact CD2-CB 4.33Å; Y263-L288 HydrophobicContact CD2-CD1 3.7Å; Y263-L288 HydrophobicContact CD2-CG 4.47Å; Y263-L288 HydrophobicContact CE1-CB 4Å; Y263-L288 HydrophobicContact CE2-CD1 3.7Å; Y263-L288 HydrophobicContact CG-CB 3.89Å; Y263-L288 HydrophobicContact CG-CD1 4.14Å; Y263-L288 HydrophobicContact CG-CG 4.43Å; F267-L288 HydrophobicContact CD1-CD2 4.44Å; F267-L288 HydrophobicContact CE1-CD2 3.57Å; F267-L288 HydrophobicContact CE2-CD2 4.4Å; F267-L288 HydrophobicContact CZ-CD2 3.55Å; E284-L288 WeakPolarHBondContact O-CB 3.4Å; E284-L288 PolarHBondContact O-N 3.3Å; Q285-L288 PolarHBondContact O-N 3.07Å; H286-L288 PolarHBondContact O-N 2.89Å; L288-D291 WeakPolarHBondContact O-CB 3.3Å; L288-D291 PolarHBondContact O-N 3.1Å; L288-L292 HydrophobicContact CD1-CD1 4.26Å; L288-L292 HydrophobicContact CD1-CD2 4.45Å; L288-L292 HydrophobicContact CD1-CG 4.12Å; L288-L292 HydrophobicContact CG-CD1 4.28Å; L288-L292 HydrophobicContact CG-CG 4.45Å; L288-L292 WeakPolarHBondContact O-CG 2.98Å; L288-L292 PolarHBondContact O-N 3.44Å
289F91.4Very high88Confident5 Ų540.1 Ų40.12%0.02219%0.193CC..Hα-helixtrans-67.1-39.4-178-72.20.7000112.2Y77 L78 F267 Q285 H286 D287 D291 L292 Q293 A425 F426 I429Y77-F289 HydrophobicContact CD1-CZ 4.32Å; Y77-F289 HydrophobicContact CE1-CE1 4.49Å; Y77-F289 AromaticContact CE1-CZ 3.7Å; Y77-F289 HydrophobicContact CE1-CZ 3.7Å; L78-F289 HydrophobicContact CD2-CD1 4.28Å; L78-F289 HydrophobicContact CD2-CE1 3.57Å; L78-F289 HydrophobicContact CD2-CZ 4.09Å; F267-F289 HydrophobicContact CD1-CE1 4.48Å; F267-F289 HydrophobicContact CE1-CE1 4.43Å; Q285-F289 HydrophobicContact CG-CD1 4.44Å; Q285-F289 HydrophobicContact CG-CD2 4.21Å; Q285-F289 HydrophobicContact CG-CE1 4.12Å; Q285-F289 HydrophobicContact CG-CE2 3.88Å; Q285-F289 HydrophobicContact CG-CZ 3.86Å; Q285-F289 VanDerWaalsContact NE2-CE2 3.31Å; Q285-F289 WeakPolarHBondContact O-CD1 3.47Å; Q285-F289 WeakPolarHBondContact O-CG 3.35Å; Q285-F289 PolarHBondContact O-N 3.35Å; H286-F289 PolarHBondContact O-N 3.21Å; D287-F289 VanDerWaalsContact C-N 3.33Å; F289-D291 VanDerWaalsContact C-N 3.32Å; F289-D291 PolarHBondContact O-N 3.3Å; F289-L292 PolarHBondContact O-N 3.25Å; F289-Q293 VanDerWaalsContact O-CB 3.26Å; F289-Q293 WeakPolarHBondContact O-CB 3.36Å; F289-Q293 VanDerWaalsContact O-CG 3.25Å; F289-Q293 WeakPolarHBondContact O-CG 3.35Å; F289-Q293 PolarHBondContact O-N 2.89Å; F289-A425 HydrophobicContact CE2-CB 3.71Å; F289-A425 VanDerWaalsContact CE2-O 3.29Å; F289-A425 WeakPolarHBondContact CE2-O 3.23Å; F289-A425 HydrophobicContact CZ-CB 3.62Å; F289-F426 HydrophobicContact CB-CD1 4.14Å; F289-F426 HydrophobicContact CB-CE1 4.13Å; F289-F426 HydrophobicContact CD1-CE1 4.18Å; F289-F426 HydrophobicContact CG-CD1 4.26Å; F289-F426 HydrophobicContact CG-CE1 4.17Å; F289-I429 HydrophobicContact CB-CD1 3.84Å; F289-I429 HydrophobicContact CD2-CD1 4.46Å
290I88.2Confident88.2Confident81 Ų8134.9 Ų34.942%0.41518%0.177SC..Hα-helixtrans-58.3-45.8171.1-71171.5000110.5H286 L292 Q293 S294H286-I290 VanDerWaalsContact NE2-CD1 3.34Å; H286-I290 WeakPolarHBondContact NE2-CD1 3.3Å; H286-I290 WeakPolarHBondContact O-CG1 3.43Å; H286-I290 PolarHBondContact O-N 3.45Å; I290-L292 PolarHBondContact O-N 3.05Å; I290-Q293 PolarHBondContact O-N 3.48Å; I290-S294 PolarHBondContact O-N 2.98Å; I290-S294 VanDerWaalsContact O-N 3.08Å
291D91.6Very high88.2Confident22 Ų2235.7 Ų35.712%0.11818%0.181CC..Hα-helixtrans-60.3-44.8178.9-176.961.1000111.6R194 R225 D287 L288 F289 S294R194-D291 IonicContact CZ-OD1 2.62Å; R194-D291 IonicContact CZ-OD2 2.97Å; R194-D291 IonicContact NE-OD1 2.67Å; R194-D291 IonicContact NE-OD2 2.71Å; R194-D291 PolarHBondContact NE-OD2 3.29Å; R194-D291 IonicContact NH2-OD1 2.98Å; R194-D291 PolarHBondContact NH2-OD1 2.94Å; R194-D291 IonicContact NH2-OD2 3.17Å; R194-D291 PolarHBondContact NH2-OD2 2.94Å; R225-D291 IonicContact NE-OD2 2.88Å; D287-D291 PolarHBondContact O-N 3.33Å; D287-D291 VanDerWaalsContact O-N 3.09Å; L288-D291 WeakPolarHBondContact O-CB 3.3Å; L288-D291 PolarHBondContact O-N 3.1Å; F289-D291 VanDerWaalsContact C-N 3.32Å; F289-D291 PolarHBondContact O-N 3.3Å; D291-S294 PolarHBondContact O-N 3.31Å; D291-S294 PolarHBondContact O-OG 3.19Å
292L92.6Very high88.1Confident0 Ų037 Ų370%019%0.185CC..Hα-helixtrans-70.3-39.3178.3-61.9-174.2000112.6I61 F74 L78 R194 I196 L288 F289 I290 S294 L295 F426I61-L292 HydrophobicContact CD1-CD2 3.94Å; F74-L292 HydrophobicContact CZ-CD1 4.31Å; L78-L292 HydrophobicContact CD1-CD1 4.13Å; L78-L292 HydrophobicContact CD2-CD1 4.45Å; R194-L292 HydrophobicContact CG-CD2 4.26Å; I196-L292 HydrophobicContact CD1-CD1 4.39Å; I196-L292 HydrophobicContact CD1-CD2 4.03Å; L288-L292 HydrophobicContact CD1-CD1 4.26Å; L288-L292 HydrophobicContact CD1-CD2 4.45Å; L288-L292 HydrophobicContact CD1-CG 4.12Å; L288-L292 HydrophobicContact CG-CD1 4.28Å; L288-L292 HydrophobicContact CG-CG 4.45Å; L288-L292 WeakPolarHBondContact O-CG 2.98Å; L288-L292 PolarHBondContact O-N 3.44Å; F289-L292 PolarHBondContact O-N 3.25Å; I290-L292 PolarHBondContact O-N 3.05Å; L292-S294 PolarHBondContact O-N 3.44Å; L292-L295 HydrophobicContact CB-CD1 4.5Å; L292-L295 HydrophobicContact CD2-CD1 3.96Å; L292-L295 WeakPolarHBondContact O-CB 3.34Å; L292-L295 VanDerWaalsContact O-CG 3.27Å; L292-L295 WeakPolarHBondContact O-CG 3.4Å; L292-L295 PolarHBondContact O-N 3.47Å; L292-F426 HydrophobicContact CB-CE1 3.93Å; L292-F426 HydrophobicContact CB-CZ 4.06Å; L292-F426 HydrophobicContact CD1-CZ 4.21Å
293Q88.8Confident88.3Confident25 Ų2534.5 Ų34.512%0.11717%0.173CC..Hα-helixtrans-61.9-30.1176.3-81.2-179.2-22.400112.7F289 I290 L295 P296 F420 V421 F426F289-Q293 VanDerWaalsContact O-CB 3.26Å; F289-Q293 WeakPolarHBondContact O-CB 3.36Å; F289-Q293 VanDerWaalsContact O-CG 3.25Å; F289-Q293 WeakPolarHBondContact O-CG 3.35Å; F289-Q293 PolarHBondContact O-N 2.89Å; I290-Q293 PolarHBondContact O-N 3.48Å; Q293-L295 VanDerWaalsContact C-N 3.3Å; Q293-L295 PolarHBondContact O-N 3.04Å; Q293-P296 VanDerWaalsContact O-CD 3.32Å; Q293-P296 WeakPolarHBondContact O-CD 3.29Å; Q293-F420 HydrophobicContact CB-CD1 4.43Å; Q293-F420 WeakPolarHBondContact O-CA 3.38Å; Q293-V421 HydrophobicContact CG-CB 4.09Å; Q293-F426 HydrophobicContact CG-CB 4.43Å; Q293-F426 HydrophobicContact CG-CD1 3.48Å; Q293-F426 VanDerWaalsContact CG-CD1 3.48Å; Q293-F426 HydrophobicContact CG-CE1 4.04Å; Q293-F426 HydrophobicContact CG-CG 4.21Å; Q293-F426 PolarHBondContact NE2-O 2.83Å
294S87.8Confident88.6Confident24 Ų2432 Ų3217%0.16816%0.16CC..THydrogen-bonded Turntrans-76.6-13.1179.880.50000114.2I290 D291 L292 R297 N298I290-S294 PolarHBondContact O-N 2.98Å; I290-S294 VanDerWaalsContact O-N 3.08Å; D291-S294 PolarHBondContact O-N 3.31Å; D291-S294 PolarHBondContact O-OG 3.19Å; L292-S294 PolarHBondContact O-N 3.44Å; S294-R297 PolarHBondContact O-N 2.82Å; S294-N298 PolarHBondContact O-N 3.14Å; S294-N298 PolarHBondContact O-ND2 2.95Å; S294-N298 PolarHBondContact OG-ND2 2.94Å
295L90.5Very high88.4Confident1 Ų133.8 Ų33.81%0.00517%0.17CC..Hα-helixtrans-58.5-45.3-173.8-66.2173.8000113.9P59 I61 L149 R194 L292 Q293 R297 N298 A299P59-L295 HydrophobicContact CB-CB 4.1Å; P59-L295 HydrophobicContact CG-CB 4.43Å; I61-L295 HydrophobicContact CD1-CD1 3.71Å; I61-L295 HydrophobicContact CG1-CD1 3.61Å; L149-L295 HydrophobicContact CD2-CB 3.92Å; L149-L295 HydrophobicContact CD2-CD1 4.02Å; R194-L295 HydrophobicContact CB-CD1 4.12Å; R194-L295 HydrophobicContact CB-CD2 4.07Å; L292-L295 HydrophobicContact CB-CD1 4.5Å; L292-L295 HydrophobicContact CD2-CD1 3.96Å; L292-L295 WeakPolarHBondContact O-CB 3.34Å; L292-L295 VanDerWaalsContact O-CG 3.27Å; L292-L295 WeakPolarHBondContact O-CG 3.4Å; L292-L295 PolarHBondContact O-N 3.47Å; Q293-L295 VanDerWaalsContact C-N 3.3Å; Q293-L295 PolarHBondContact O-N 3.04Å; L295-R297 VanDerWaalsContact C-N 3.33Å; L295-R297 PolarHBondContact O-N 3.41Å; L295-N298 CarbonylContact O-C 3.59Å; L295-N298 PolarHBondContact O-N 2.83Å; L295-A299 PolarHBondContact O-N 2.86Å
296P87.3Confident88.4Confident21 Ų2133.9 Ų33.914%0.13617%0.172CC..Hα-helixtrans-59.4-42.3177.8-24.537000112.9P59 L149 Q293 N298 A299 R418 V421P59-P296 HydrophobicContact CG-CB 4.33Å; P59-P296 HydrophobicContact CG-CG 4.3Å; L149-P296 HydrophobicContact CD2-CG 4.33Å; Q293-P296 VanDerWaalsContact O-CD 3.32Å; Q293-P296 WeakPolarHBondContact O-CD 3.29Å; P296-N298 VanDerWaalsContact C-N 3.35Å; P296-A299 WeakPolarHBondContact O-CB 3.09Å; P296-A299 PolarHBondContact O-N 2.91Å; P296-R418 WeakPolarHBondContact CB-O 3.32Å; P296-V421 HydrophobicContact CG-CG2 3.88Å
297R82.5Confident88.7Confident113 Ų11332.2 Ų32.243%0.42616%0.164SC..Hα-helixtrans-63.1-41.8176.2-176.8179.8177.1174.64.9111.9S294 L295 A299 E411S294-R297 PolarHBondContact O-N 2.82Å; L295-R297 VanDerWaalsContact C-N 3.33Å; L295-R297 PolarHBondContact O-N 3.41Å; R297-A299 VanDerWaalsContact C-N 3.33Å; R297-A299 PolarHBondContact O-N 2.86Å; R297-E411 HydrophobicContact CG-CG 4.47Å; R297-E411 WeakPolarHBondContact CG-OE1 3.37Å; R297-E411 IonicContact CZ-OE1 3.83Å; R297-E411 IonicContact CZ-OE2 2.62Å; R297-E411 VanDerWaalsContact NE-CD 3.28Å; R297-E411 IonicContact NE-OE1 3.26Å; R297-E411 PolarHBondContact NE-OE1 2.86Å; R297-E411 IonicContact NE-OE2 2.79Å; R297-E411 PolarHBondContact NE-OE2 2.81Å; R297-E411 IonicContact NH2-OE1 2.65Å; R297-E411 PolarHBondContact NH2-OE1 3.48Å; R297-E411 IonicContact NH2-OE2 4Å; R297-E411 PolarHBondContact NH2-OE2 3.18Å
298N85.5Confident88.7Confident45 Ų4530.2 Ų30.224%0.24115%0.153CC..Hα-helixtrans-83.8-5.3-176.7-68.3-35.5000114S294 L295 P296 A300 L301 R302S294-N298 PolarHBondContact O-N 3.14Å; S294-N298 PolarHBondContact O-ND2 2.95Å; S294-N298 PolarHBondContact OG-ND2 2.94Å; L295-N298 CarbonylContact O-C 3.59Å; L295-N298 PolarHBondContact O-N 2.83Å; P296-N298 VanDerWaalsContact C-N 3.35Å; N298-A300 PolarHBondContact O-N 3.03Å; N298-L301 PolarHBondContact O-N 3.17Å; N298-R302 WeakPolarHBondContact O-CG 3.41Å; N298-R302 PolarHBondContact O-N 2.88Å
299A86.6Confident88.5Confident13 Ų1333.8 Ų33.811%0.10717%0.169CC..Hα-helixtrans-59.1-46.9-171.600000113P59 L295 P296 R297 L301 R302 K303P59-A299 HydrophobicContact CG-CB 3.95Å; L295-A299 PolarHBondContact O-N 2.86Å; P296-A299 WeakPolarHBondContact O-CB 3.09Å; P296-A299 PolarHBondContact O-N 2.91Å; R297-A299 VanDerWaalsContact C-N 3.33Å; R297-A299 PolarHBondContact O-N 2.86Å; A299-L301 VanDerWaalsContact C-N 3.35Å; A299-L301 PolarHBondContact O-N 3.29Å; A299-R302 PolarHBondContact O-N 2.83Å; A299-K303 WeakPolarHBondContact O-CG 3.39Å; A299-K303 PolarHBondContact O-N 2.95Å
300A85.6Confident88.6Confident14 Ų1434.8 Ų34.812%0.11617%0.172CC..Hα-helixtrans-63.8-41.4-179.600000111.7V21 N298 R302 K303 L304 L407V21-A300 HydrophobicContact CG1-CB 4.38Å; N298-A300 PolarHBondContact O-N 3.03Å; A300-R302 VanDerWaalsContact C-N 3.35Å; A300-R302 PolarHBondContact O-N 2.81Å; A300-K303 PolarHBondContact O-N 3.11Å; A300-L304 WeakPolarHBondContact O-CB 3.37Å; A300-L304 PolarHBondContact O-N 2.93Å; A300-L407 HydrophobicContact CB-CD2 3.58Å
301L86.1Confident88.9Confident76 Ų7630.9 Ų30.940%0.39815%0.153SC..Hα-helixtrans-63.1-40.4175.4-179.265.3000111.6N298 A299 L304 N305 M404 L407N298-L301 PolarHBondContact O-N 3.17Å; A299-L301 VanDerWaalsContact C-N 3.35Å; A299-L301 PolarHBondContact O-N 3.29Å; L301-L304 WeakPolarHBondContact O-CB 3.3Å; L301-L304 PolarHBondContact O-N 3Å; L301-N305 PolarHBondContact O-N 3.48Å; L301-M404 HydrophobicContact CD1-CE 3.99Å; L301-M404 HydrophobicContact CD1-SD 3.71Å; L301-L407 HydrophobicContact CB-CD1 4.18Å; L301-L407 HydrophobicContact CD1-CD1 3.76Å
302R86.8Confident89Confident35 Ų3535.4 Ų35.413%0.13217%0.168CC..Hα-helixtrans-65.3-47.9176.2-70.4-141.4174.2119.821.6112.5D193 R194 N298 A299 A300 L304 N305 D306D193-R302 PolarHBondContact O-NH1 3.16Å; R194-R302 VanDerWaalsContact CZ-NH2 3.25Å; N298-R302 WeakPolarHBondContact O-CG 3.41Å; N298-R302 PolarHBondContact O-N 2.88Å; A299-R302 PolarHBondContact O-N 2.83Å; A300-R302 VanDerWaalsContact C-N 3.35Å; A300-R302 PolarHBondContact O-N 2.81Å; R302-L304 PolarHBondContact O-N 2.98Å; R302-N305 WeakPolarHBondContact O-CA 3.48Å; R302-N305 WeakPolarHBondContact O-CB 3.49Å; R302-N305 PolarHBondContact O-N 3.1Å; R302-D306 PolarHBondContact O-N 2.75Å
303K88.8Confident89Confident31 Ų3137.1 Ų37.114%0.13518%0.177CC..Hα-helixtrans-59.2-38.3176.5-68.7-175.7-170.8-153.40112L25 D54 F55 A57 A299 A300 D306 L307L25-K303 HydrophobicContact CD1-CB 4.29Å; D54-K303 PolarHBondContact O-NZ 3.06Å; F55-K303 VanDerWaalsContact C-NZ 3.26Å; F55-K303 PolarHBondContact O-NZ 3.46Å; A57-K303 PolarHBondContact O-NZ 3.47Å; A299-K303 WeakPolarHBondContact O-CG 3.39Å; A299-K303 PolarHBondContact O-N 2.95Å; A300-K303 PolarHBondContact O-N 3.11Å; K303-D306 PolarHBondContact O-N 2.98Å; K303-L307 WeakPolarHBondContact O-CB 3.27Å; K303-L307 PolarHBondContact O-N 2.81Å
304L90.1Very high89.4Confident2 Ų236 Ų361%0.0117%0.172CC..Hα-helixtrans-62.6-46.2172.9175.865000111.7L25 A300 L301 R302 D306 L307 I308 I400 L403 M404 L407L25-L304 HydrophobicContact CD2-CB 4.19Å; L25-L304 HydrophobicContact CD2-CD1 3.7Å; A300-L304 WeakPolarHBondContact O-CB 3.37Å; A300-L304 PolarHBondContact O-N 2.93Å; L301-L304 WeakPolarHBondContact O-CB 3.3Å; L301-L304 PolarHBondContact O-N 3Å; R302-L304 PolarHBondContact O-N 2.98Å; L304-D306 PolarHBondContact O-N 3.28Å; L304-L307 PolarHBondContact O-N 3.47Å; L304-I308 HydrophobicContact CD1-CD1 4.38Å; L304-I308 HydrophobicContact CG-CD1 4.15Å; L304-I308 VanDerWaalsContact O-CG1 3.3Å; L304-I308 WeakPolarHBondContact O-CG1 3.44Å; L304-I308 PolarHBondContact O-N 3.42Å; L304-I400 HydrophobicContact CD1-CB 4.5Å; L304-I400 HydrophobicContact CD1-CG1 3.99Å; L304-I400 HydrophobicContact CD1-CG2 4.18Å; L304-L403 HydrophobicContact CD1-CD1 4.16Å; L304-M404 HydrophobicContact CD2-CG 3.8Å; L304-M404 HydrophobicContact CD2-SD 3.33Å; L304-M404 WeakPolarHBondContact CD2-SD 3.45Å; L304-L407 HydrophobicContact CD2-CD1 4.23Å
305N87.7Confident89.7Confident61 Ų6136.9 Ų36.933%0.32617%0.173SC..Hα-helixtrans-59.7-44.6176.1-170.332.4000112L301 R302 L307 I308 K309L301-N305 PolarHBondContact O-N 3.48Å; R302-N305 WeakPolarHBondContact O-CA 3.48Å; R302-N305 WeakPolarHBondContact O-CB 3.49Å; R302-N305 PolarHBondContact O-N 3.1Å; N305-L307 VanDerWaalsContact C-N 3.32Å; N305-L307 PolarHBondContact O-N 3.37Å; N305-I308 WeakPolarHBondContact O-CB 3.34Å; N305-I308 PolarHBondContact O-N 3.29Å; N305-K309 WeakPolarHBondContact O-CG 3.48Å; N305-K309 PolarHBondContact O-N 3.08Å
306D88.4Confident90Very high35 Ų3537 Ų3719%0.18717%0.173CC..Hα-helixtrans-63.7-38.7177.4-69.2-24.5000111.5K223 R302 K303 L304 K309 R310K223-D306 WeakPolarHBondContact CE-OD1 3.25Å; K223-D306 VanDerWaalsContact NZ-CG 3.32Å; K223-D306 IonicContact NZ-OD1 2.85Å; K223-D306 PolarHBondContact NZ-OD1 2.84Å; K223-D306 VanDerWaalsContact NZ-OD1 3.11Å; K223-D306 IonicContact NZ-OD2 3.14Å; K223-D306 PolarHBondContact NZ-OD2 3.41Å; R302-D306 PolarHBondContact O-N 2.75Å; K303-D306 PolarHBondContact O-N 2.98Å; L304-D306 PolarHBondContact O-N 3.28Å; D306-K309 PolarHBondContact O-N 2.99Å; D306-R310 VanDerWaalsContact O-CB 3.31Å; D306-R310 WeakPolarHBondContact O-CB 3.31Å; D306-R310 PolarHBondContact O-N 2.88Å
307L91.8Very high90.4Very high4 Ų436 Ų362%0.02117%0.167CC..Hα-helixtrans-65-38.3174.2-172.264.9000112.1L25 Y29 L33 L50 K303 L304 N305 R310 A311L25-L307 HydrophobicContact CD2-CD2 3.72Å; Y29-L307 HydrophobicContact CD2-CD1 3.76Å; Y29-L307 HydrophobicContact CG-CD1 4.35Å; L33-L307 HydrophobicContact CD2-CD1 3.78Å; L50-L307 HydrophobicContact CD1-CD1 4.32Å; K303-L307 WeakPolarHBondContact O-CB 3.27Å; K303-L307 PolarHBondContact O-N 2.81Å; L304-L307 PolarHBondContact O-N 3.47Å; N305-L307 VanDerWaalsContact C-N 3.32Å; N305-L307 PolarHBondContact O-N 3.37Å; L307-R310 PolarHBondContact O-N 2.85Å; L307-A311 VanDerWaalsContact O-CB 3.25Å; L307-A311 WeakPolarHBondContact O-CB 3.42Å; L307-A311 PolarHBondContact O-N 2.91Å
308I92.1Very high91.1Very high27 Ų2730.6 Ų30.614%0.13815%0.147CC..Hα-helixtrans-63.1-50.3174.4-68.1161000110.5L304 N305 R310 A311 R312 L396 I400L304-I308 HydrophobicContact CD1-CD1 4.38Å; L304-I308 HydrophobicContact CG-CD1 4.15Å; L304-I308 VanDerWaalsContact O-CG1 3.3Å; L304-I308 WeakPolarHBondContact O-CG1 3.44Å; L304-I308 PolarHBondContact O-N 3.42Å; N305-I308 WeakPolarHBondContact O-CB 3.34Å; N305-I308 PolarHBondContact O-N 3.29Å; I308-R310 VanDerWaalsContact C-N 3.3Å; I308-R310 PolarHBondContact O-N 2.82Å; I308-A311 PolarHBondContact O-N 2.82Å; I308-R312 WeakPolarHBondContact O-CG 3.46Å; I308-R312 PolarHBondContact O-N 3.47Å; I308-L396 HydrophobicContact CG2-CD2 4.17Å; I308-I400 HydrophobicContact CD1-CD1 4.24Å; I308-I400 HydrophobicContact CD1-CG2 3.81Å; I308-I400 HydrophobicContact CG1-CD1 3.45Å; I308-I400 VanDerWaalsContact CG1-CD1 3.45Å; I308-I400 HydrophobicContact CG1-CG1 4.32Å; I308-I400 HydrophobicContact CG1-CG2 4.25Å
309K89.5Confident91.7Very high75 Ų7529.4 Ų29.433%0.32614%0.139SC..Hα-helixtrans-55.9-47.3177.4-71.4-179.4-178.9-178.40110.3G219 D222 N305 D306 A311 R312 L313G219-K309 PolarHBondContact O-NZ 3.17Å; D222-K309 IonicContact OD1-NZ 3.33Å; D222-K309 PolarHBondContact OD1-NZ 2.78Å; N305-K309 WeakPolarHBondContact O-CG 3.48Å; N305-K309 PolarHBondContact O-N 3.08Å; D306-K309 PolarHBondContact O-N 2.99Å; K309-A311 PolarHBondContact O-N 3.14Å; K309-R312 PolarHBondContact O-N 2.67Å; K309-L313 PolarHBondContact O-N 2.78Å; K309-L313 VanDerWaalsContact O-N 3.09Å
310R91.7Very high92.2Very high25 Ų2528.8 Ų28.89%0.09413%0.134CC..Hα-helixtrans-61.3-44.1177.2-174.4-179.2178.896.95.1112.7L33 E37 F42 S47 P48 D306 L307 I308 L313 A314L33-R310 HydrophobicContact CD2-CG 4.24Å; E37-R310 WeakPolarHBondContact OE1-CD 3.48Å; E37-R310 IonicContact OE1-CZ 3.54Å; E37-R310 IonicContact OE1-NE 3.4Å; E37-R310 PolarHBondContact OE1-NE 3Å; E37-R310 IonicContact OE1-NH2 2.81Å; E37-R310 PolarHBondContact OE1-NH2 3.31Å; E37-R310 IonicContact OE2-CZ 3.44Å; E37-R310 IonicContact OE2-NE 3.93Å; E37-R310 PolarHBondContact OE2-NE 3.07Å; E37-R310 IonicContact OE2-NH2 2.84Å; E37-R310 PolarHBondContact OE2-NH2 3.2Å; F42-R310 HydrophobicContact CZ-CG 4.31Å; S47-R310 PolarHBondContact OG-NH1 2.9Å; P48-R310 PolarHBondContact O-NH1 3.32Å; P48-R310 PolarHBondContact O-NH2 3.49Å; D306-R310 VanDerWaalsContact O-CB 3.31Å; D306-R310 WeakPolarHBondContact O-CB 3.31Å; D306-R310 PolarHBondContact O-N 2.88Å; L307-R310 PolarHBondContact O-N 2.85Å; I308-R310 VanDerWaalsContact C-N 3.3Å; I308-R310 PolarHBondContact O-N 2.82Å; R310-L313 PolarHBondContact O-N 2.81Å; R310-A314 WeakPolarHBondContact O-CB 3.37Å; R310-A314 PolarHBondContact O-N 2.96Å
311A95Very high92.7Very high0 Ų028.2 Ų28.20%013%0.129CC..Hα-helixtrans-63.1-42.7-179.700000112.8L33 L307 I308 K309 A314 K315 V392 M395 L396L33-A311 HydrophobicContact CD1-CB 4.08Å; L33-A311 HydrophobicContact CD2-CB 3.96Å; L307-A311 VanDerWaalsContact O-CB 3.25Å; L307-A311 WeakPolarHBondContact O-CB 3.42Å; L307-A311 PolarHBondContact O-N 2.91Å; I308-A311 PolarHBondContact O-N 2.82Å; K309-A311 PolarHBondContact O-N 3.14Å; A311-A314 PolarHBondContact O-N 3.4Å; A311-K315 WeakPolarHBondContact O-CB 3.49Å; A311-K315 PolarHBondContact O-N 3.46Å; A311-V392 HydrophobicContact CB-CG1 4.2Å; A311-M395 HydrophobicContact CB-CE 3.29Å; A311-L396 HydrophobicContact CB-CD2 3.96Å; A311-L396 HydrophobicContact CB-CG 4.47Å
312R94Very high93.2Very high117 Ų11725 Ų2544%0.44211%0.113SC..Hα-helixtrans-61.8-49.3174.6-69.4-179.7-174.4171.32.6110.8I308 K309 A314 K315 V316 L396I308-R312 WeakPolarHBondContact O-CG 3.46Å; I308-R312 PolarHBondContact O-N 3.47Å; K309-R312 PolarHBondContact O-N 2.67Å; R312-A314 VanDerWaalsContact C-N 3.33Å; R312-A314 PolarHBondContact O-N 2.94Å; R312-K315 WeakPolarHBondContact O-CB 3.48Å; R312-K315 PolarHBondContact O-N 3.47Å; R312-V316 WeakPolarHBondContact O-CG2 3.37Å; R312-V316 PolarHBondContact O-N 2.84Å; R312-L396 HydrophobicContact CG-CD1 4.42Å
313L93.3Very high93.6Very high35 Ų3524.5 Ų24.518%0.18311%0.111CC..Hα-helixtrans-58.7-43.3177.3-176.562.6000112.1F42 K309 R310 K315 V316 H317 P364F42-L313 HydrophobicContact CE2-CD2 4.26Å; F42-L313 HydrophobicContact CE2-CG 4.07Å; F42-L313 HydrophobicContact CZ-CD2 4.23Å; K309-L313 PolarHBondContact O-N 2.78Å; K309-L313 VanDerWaalsContact O-N 3.09Å; R310-L313 PolarHBondContact O-N 2.81Å; L313-K315 PolarHBondContact O-N 3.08Å; L313-V316 PolarHBondContact O-N 3.13Å; L313-H317 VanDerWaalsContact O-CB 3.26Å; L313-H317 WeakPolarHBondContact O-CB 3.35Å; L313-H317 PolarHBondContact O-N 2.83Å; L313-P364 HydrophobicContact CD1-CB 3.96Å; L313-P364 HydrophobicContact CD1-CG 4.24Å
314A95.5Very high94Very high2 Ų223 Ų232%0.01710%0.104CC..Hα-helixtrans-64-38.9177.900000112.6L33 L36 E37 F42 R310 A311 R312 A318L33-A314 HydrophobicContact CD1-CB 3.86Å; L36-A314 HydrophobicContact CD2-CB 4.06Å; E37-A314 HydrophobicContact CG-CB 4.12Å; F42-A314 HydrophobicContact CD2-CB 3.78Å; F42-A314 HydrophobicContact CE2-CB 3.79Å; R310-A314 WeakPolarHBondContact O-CB 3.37Å; R310-A314 PolarHBondContact O-N 2.96Å; A311-A314 PolarHBondContact O-N 3.4Å; R312-A314 VanDerWaalsContact C-N 3.33Å; R312-A314 PolarHBondContact O-N 2.94Å; A314-A318 WeakPolarHBondContact O-CB 3.46Å; A314-A318 PolarHBondContact O-N 2.91Å
315K95.8Very high94.2Very high42 Ų4227.4 Ų27.418%0.18312%0.121CC..Hα-helixtrans-64.1-47.2174.1174.7177.9162.3174.70111.5A311 R312 L313 H317 A318 Y319 I389 D393A311-K315 WeakPolarHBondContact O-CB 3.49Å; A311-K315 PolarHBondContact O-N 3.46Å; R312-K315 WeakPolarHBondContact O-CB 3.48Å; R312-K315 PolarHBondContact O-N 3.47Å; L313-K315 PolarHBondContact O-N 3.08Å; K315-H317 VanDerWaalsContact C-N 3.35Å; K315-H317 PolarHBondContact O-N 2.94Å; K315-A318 WeakPolarHBondContact O-CB 3.44Å; K315-A318 PolarHBondContact O-N 2.9Å; K315-Y319 HydrophobicContact CD-CE2 4.25Å; K315-Y319 WeakPolarHBondContact CE-OH 3.33Å; K315-Y319 HydrophobicContact CG-CD2 4.25Å; K315-Y319 HydrophobicContact CG-CE2 3.61Å; K315-Y319 WeakPolarHBondContact O-CD2 3.11Å; K315-Y319 PolarHBondContact O-N 3.29Å; K315-Y319 VanDerWaalsContact O-N 3.16Å; K315-I389 HydrophobicContact CG-CD1 4.4Å; K315-D393 IonicContact NZ-OD1 2.77Å; K315-D393 PolarHBondContact NZ-OD1 3.23Å; K315-D393 IonicContact NZ-OD2 2.76Å; K315-D393 PolarHBondContact NZ-OD2 3.1Å
316V96.4Very high94.5Very high4 Ų431.2 Ų31.22%0.02413%0.131CC..Hα-helixtrans-62.5-43.8176.6-179.80000111.2R312 L313 A318 Y319 I320 I358 D362 F363R312-V316 WeakPolarHBondContact O-CG2 3.37Å; R312-V316 PolarHBondContact O-N 2.84Å; L313-V316 PolarHBondContact O-N 3.13Å; V316-A318 VanDerWaalsContact C-N 3.32Å; V316-A318 PolarHBondContact O-N 3.22Å; V316-Y319 PolarHBondContact O-N 3.38Å; V316-Y319 VanDerWaalsContact O-N 3.16Å; V316-I320 HydrophobicContact CG1-CD1 3.96Å; V316-I320 WeakPolarHBondContact O-CG1 3.19Å; V316-I320 PolarHBondContact O-N 3.42Å; V316-I358 HydrophobicContact CG1-CG2 4.49Å; V316-I358 HydrophobicContact CG2-CD1 4.24Å; V316-I358 HydrophobicContact CG2-CG2 3.47Å; V316-I358 VanDerWaalsContact CG2-CG2 3.47Å; V316-D362 HydrophobicContact CG2-CB 3.91Å; V316-F363 HydrophobicContact CG1-CD1 3.48Å; V316-F363 VanDerWaalsContact CG1-CD1 3.48Å; V316-F363 HydrophobicContact CG1-CD2 4.43Å; V316-F363 HydrophobicContact CG1-CE1 3.67Å; V316-F363 HydrophobicContact CG1-CG 3.9Å; V316-F363 HydrophobicContact CG1-CZ 4.25Å
317H96Very high94.7Very high0 Ų031.5 Ų31.50%013%0.132CC..Hα-helixtrans-57.2-43.7174.1-178.872.8000112.3Y40 F42 F45 H46 L313 K315 Y319 I320 I321Y40-H317 PolarHBondContact O-CD2 3.46Å; Y40-H317 PolarHBondContact O-NE2 3.43Å; F42-H317 HydrophobicContact CD2-CB 4.24Å; F45-H317 AromaticContact CD2-CE1 3.37Å; F45-H317 WeakPolarHBondContact CD2-CE1 3.45Å; F45-H317 AromaticContact CD2-NE2 3.72Å; F45-H317 AromaticContact CG-CE1 3.46Å; F45-H317 VanDerWaalsContact CG-CE1 3.46Å; F45-H317 WeakPolarHBondContact CG-CE1 3.35Å; H46-H317 AromaticContact CD2-CG 3.8Å; H46-H317 AromaticContact CD2-ND1 3.65Å; H46-H317 AromaticContact NE2-CE1 3.67Å; H46-H317 AromaticContact NE2-CG 3.4Å; H46-H317 AromaticContact NE2-ND1 2.95Å; H46-H317 PolarHBondContact NE2-ND1 2.72Å; L313-H317 VanDerWaalsContact O-CB 3.26Å; L313-H317 WeakPolarHBondContact O-CB 3.35Å; L313-H317 PolarHBondContact O-N 2.83Å; K315-H317 VanDerWaalsContact C-N 3.35Å; K315-H317 PolarHBondContact O-N 2.94Å; H317-Y319 VanDerWaalsContact C-N 3.33Å; H317-Y319 PolarHBondContact O-N 3Å; H317-I320 PolarHBondContact O-N 3.01Å; H317-I321 VanDerWaalsContact CE1-CG1 3.44Å; H317-I321 WeakPolarHBondContact CE1-CG1 3.36Å; H317-I321 WeakPolarHBondContact NE2-CG1 3.18Å; H317-I321 WeakPolarHBondContact O-CG1 3.49Å; H317-I321 PolarHBondContact O-N 3.33Å
318A97.3Very high94.7Very high0 Ų032.1 Ų32.10%014%0.135CC..Hα-helixtrans-59.6-41176.400000112.6L36 Y40 A314 K315 V316 S322 I389L36-A318 HydrophobicContact CD1-CB 4.1Å; L36-A318 HydrophobicContact CD2-CB 4.47Å; L36-A318 HydrophobicContact CG-CB 4.41Å; Y40-A318 HydrophobicContact CD1-CB 4.21Å; Y40-A318 HydrophobicContact CD2-CB 3.36Å; Y40-A318 HydrophobicContact CE1-CB 4.39Å; Y40-A318 HydrophobicContact CE2-CB 3.56Å; Y40-A318 HydrophobicContact CG-CB 3.69Å; A314-A318 WeakPolarHBondContact O-CB 3.46Å; A314-A318 PolarHBondContact O-N 2.91Å; K315-A318 WeakPolarHBondContact O-CB 3.44Å; K315-A318 PolarHBondContact O-N 2.9Å; V316-A318 VanDerWaalsContact C-N 3.32Å; V316-A318 PolarHBondContact O-N 3.22Å; A318-S322 WeakPolarHBondContact O-CB 3.22Å; A318-S322 PolarHBondContact O-N 2.7Å; A318-S322 PolarHBondContact O-OG 2.98Å; A318-I389 HydrophobicContact CB-CD1 3.99Å
319Y97.6Very high94.5Very high20 Ų2032.8 Ų32.88%0.07814%0.141CC..Hα-helixtrans-64.4-44.5174.5-66.8-55.1000112.2K315 V316 H317 S322 Y323 H356 I358 L384 I389K315-Y319 HydrophobicContact CD-CE2 4.25Å; K315-Y319 WeakPolarHBondContact CE-OH 3.33Å; K315-Y319 HydrophobicContact CG-CD2 4.25Å; K315-Y319 HydrophobicContact CG-CE2 3.61Å; K315-Y319 WeakPolarHBondContact O-CD2 3.11Å; K315-Y319 PolarHBondContact O-N 3.29Å; K315-Y319 VanDerWaalsContact O-N 3.16Å; V316-Y319 PolarHBondContact O-N 3.38Å; V316-Y319 VanDerWaalsContact O-N 3.16Å; H317-Y319 VanDerWaalsContact C-N 3.33Å; H317-Y319 PolarHBondContact O-N 3Å; Y319-S322 PolarHBondContact O-N 2.65Å; Y319-Y323 VanDerWaalsContact O-CB 3.31Å; Y319-Y323 WeakPolarHBondContact O-CB 3.48Å; Y319-Y323 PolarHBondContact O-N 3.4Å; Y319-H356 AromaticContact CD1-CD2 3.44Å; Y319-H356 VanDerWaalsContact CD1-CD2 3.44Å; Y319-H356 WeakPolarHBondContact CD1-CD2 3.36Å; Y319-H356 AromaticContact CD1-NE2 3.35Å; Y319-H356 VanDerWaalsContact CD1-NE2 3.35Å; Y319-H356 WeakPolarHBondContact CD1-NE2 3.33Å; Y319-H356 AromaticContact CD2-CD2 3.91Å; Y319-H356 AromaticContact CE1-CD2 3.66Å; Y319-H356 AromaticContact CE1-CE1 3.8Å; Y319-H356 AromaticContact CE1-CG 3.89Å; Y319-H356 AromaticContact CE1-ND1 3.97Å; Y319-H356 AromaticContact CE1-NE2 3.59Å; Y319-H356 HydrophobicContact CE2-CB 4.14Å; Y319-H356 AromaticContact CG-CD2 3.58Å; Y319-H356 AromaticContact CG-NE2 3.94Å; Y319-H356 AromaticContact CZ-CD2 3.98Å; Y319-H356 AromaticContact CZ-CG 3.87Å; Y319-I358 HydrophobicContact CD2-CD1 3.66Å; Y319-I358 HydrophobicContact CE2-CD1 4.03Å; Y319-L384 HydrophobicContact CD1-CD1 3.9Å; Y319-L384 HydrophobicContact CD1-CD2 4.13Å; Y319-L384 HydrophobicContact CE1-CD1 4.2Å; Y319-L384 HydrophobicContact CE1-CD2 4.05Å; Y319-I389 HydrophobicContact CE1-CD1 4.43Å; Y319-I389 WeakPolarHBondContact OH-CG2 3.18Å
320I96.7Very high94.3Very high0 Ų034.4 Ų34.40%016%0.162CC..Hα-helixtrans-59.4-54.4177.8-65.2162.2000110.3V316 H317 S322 Y323 L324 L345 Y349 L352 F363 P364 M369V316-I320 HydrophobicContact CG1-CD1 3.96Å; V316-I320 WeakPolarHBondContact O-CG1 3.19Å; V316-I320 PolarHBondContact O-N 3.42Å; H317-I320 PolarHBondContact O-N 3.01Å; I320-S322 VanDerWaalsContact C-N 3.31Å; I320-S322 PolarHBondContact O-N 3.5Å; I320-Y323 PolarHBondContact O-N 2.99Å; I320-L324 HydrophobicContact CG2-CD1 3.99Å; I320-L324 HydrophobicContact CG2-CG 4.44Å; I320-L324 VanDerWaalsContact O-CG 3.29Å; I320-L324 WeakPolarHBondContact O-CG 3.29Å; I320-L324 PolarHBondContact O-N 3.2Å; I320-L345 HydrophobicContact CG2-CD1 4.33Å; I320-Y349 HydrophobicContact CD1-CD1 4.23Å; I320-Y349 HydrophobicContact CD1-CE1 3.44Å; I320-Y349 VanDerWaalsContact CD1-CE1 3.44Å; I320-Y349 HydrophobicContact CG1-CD1 4.3Å; I320-Y349 HydrophobicContact CG1-CE1 3.85Å; I320-Y349 HydrophobicContact CG2-CE1 4.45Å; I320-L352 HydrophobicContact CB-CD1 4.44Å; I320-L352 HydrophobicContact CG1-CD1 3.81Å; I320-F363 HydrophobicContact CD1-CD1 4.27Å; I320-P364 HydrophobicContact CD1-CG 3.79Å; I320-M369 HydrophobicContact CD1-CE 4.28Å; I320-M369 HydrophobicContact CG2-CE 3.95Å
321I96.6Very high93.7Very high1 Ų141.4 Ų41.41%0.00520%0.198CC..Hα-helixtrans-60.8-41-178.4-66.3-58.9000111.5Y40 F45 H317 L324 R325 L373 F381Y40-I321 HydrophobicContact CD1-CB 4.34Å; Y40-I321 HydrophobicContact CD1-CG2 4.09Å; F45-I321 HydrophobicContact CE2-CD1 4.06Å; F45-I321 HydrophobicContact CZ-CD1 3.97Å; H317-I321 VanDerWaalsContact CE1-CG1 3.44Å; H317-I321 WeakPolarHBondContact CE1-CG1 3.36Å; H317-I321 WeakPolarHBondContact NE2-CG1 3.18Å; H317-I321 WeakPolarHBondContact O-CG1 3.49Å; H317-I321 PolarHBondContact O-N 3.33Å; I321-L324 PolarHBondContact O-N 3.23Å; I321-R325 PolarHBondContact O-N 3.42Å; I321-L373 HydrophobicContact CD1-CD2 4.31Å; I321-F381 HydrophobicContact CD1-CD2 4.18Å; I321-F381 HydrophobicContact CD1-CE1 4.41Å; I321-F381 HydrophobicContact CD1-CE2 3.75Å; I321-F381 HydrophobicContact CD1-CZ 3.89Å; I321-F381 HydrophobicContact CG2-CB 3.73Å; I321-F381 HydrophobicContact CG2-CD1 4.17Å; I321-F381 HydrophobicContact CG2-CD2 3.85Å; I321-F381 HydrophobicContact CG2-CE2 4.49Å; I321-F381 HydrophobicContact CG2-CG 3.67Å
322S96.1Very high93.2Very high9 Ų949.7 Ų49.76%0.06324%0.239CC..Hα-helixtrans-66.7-40.8178-60.80000112.7Y40 A318 Y319 I320 R325 R326 L384Y40-S322 WeakPolarHBondContact CE1-OG 3.44Å; A318-S322 WeakPolarHBondContact O-CB 3.22Å; A318-S322 PolarHBondContact O-N 2.7Å; A318-S322 PolarHBondContact O-OG 2.98Å; Y319-S322 PolarHBondContact O-N 2.65Å; I320-S322 VanDerWaalsContact C-N 3.31Å; I320-S322 PolarHBondContact O-N 3.5Å; S322-R325 PolarHBondContact O-N 3.46Å; S322-R326 WeakPolarHBondContact O-CB 3.03Å; S322-R326 PolarHBondContact O-N 3.23Å; S322-L384 VanDerWaalsContact OG-CA 3.32Å; S322-L384 WeakPolarHBondContact OG-CA 3.44Å; S322-L384 WeakPolarHBondContact OG-CD1 3.39Å; S322-L384 PolarHBondContact OG-N 3.02Å
323Y96Very high92.9Very high24 Ų2446.3 Ų46.39%0.09424%0.24CC..Hα-helixtrans-61-49.9175.3-176.8-76.1000110.3Y319 I320 R325 R326 D327 L341 I348 Q351 L352Y319-Y323 VanDerWaalsContact O-CB 3.31Å; Y319-Y323 WeakPolarHBondContact O-CB 3.48Å; Y319-Y323 PolarHBondContact O-N 3.4Å; I320-Y323 PolarHBondContact O-N 2.99Å; Y323-R325 VanDerWaalsContact C-N 3.26Å; Y323-R325 PolarHBondContact O-N 3.2Å; Y323-R326 WeakPolarHBondContact O-CB 3.12Å; Y323-R326 PolarHBondContact O-N 2.95Å; Y323-R326 VanDerWaalsContact O-N 3.08Å; Y323-D327 HydrophobicContact CE1-CB 4.23Å; Y323-D327 PolarHBondContact O-N 3.46Å; Y323-L341 HydrophobicContact CE1-CD2 4.47Å; Y323-I348 HydrophobicContact CD1-CD1 4.15Å; Y323-I348 HydrophobicContact CD1-CG1 4.26Å; Y323-I348 HydrophobicContact CD1-CG2 3.6Å; Y323-I348 HydrophobicContact CD2-CG2 4.41Å; Y323-I348 HydrophobicContact CE1-CB 4.47Å; Y323-I348 HydrophobicContact CE1-CD1 3.89Å; Y323-I348 HydrophobicContact CE1-CG1 3.8Å; Y323-I348 HydrophobicContact CE1-CG2 3.91Å; Y323-I348 HydrophobicContact CG-CG2 3.93Å; Y323-Q351 PolarHBondContact OH-OE1 3.39Å; Y323-L352 HydrophobicContact CD2-CD2 3.97Å; Y323-L352 HydrophobicContact CD2-CG 4.5Å; Y323-L352 HydrophobicContact CG-CD2 4.48Å
324L95.7Very high92.7Very high0 Ų048.1 Ų48.10%025%0.247CC..Hα-helixtrans-59-39.2178.8-66.9175.7000111.4I320 I321 M328 L341 I348 L373 F378 F381I320-L324 HydrophobicContact CG2-CD1 3.99Å; I320-L324 HydrophobicContact CG2-CG 4.44Å; I320-L324 VanDerWaalsContact O-CG 3.29Å; I320-L324 WeakPolarHBondContact O-CG 3.29Å; I320-L324 PolarHBondContact O-N 3.2Å; I321-L324 PolarHBondContact O-N 3.23Å; L324-M328 WeakPolarHBondContact O-CG 3.3Å; L324-M328 PolarHBondContact O-N 3Å; L324-L341 HydrophobicContact CD2-CB 3.84Å; L324-L341 HydrophobicContact CD2-CD1 4.11Å; L324-L341 HydrophobicContact CD2-CD2 4.4Å; L324-L341 HydrophobicContact CD2-CG 4.34Å; L324-I348 HydrophobicContact CD2-CD1 3.99Å; L324-L373 HydrophobicContact CD1-CD1 3.73Å; L324-L373 HydrophobicContact CD1-CD2 3.62Å; L324-L373 HydrophobicContact CD1-CG 4.35Å; L324-F378 HydrophobicContact CB-CD2 4.09Å; L324-F378 HydrophobicContact CB-CE2 4.31Å; L324-F378 HydrophobicContact CD1-CE2 4.15Å; L324-F378 HydrophobicContact CD1-CZ 4.14Å; L324-F378 HydrophobicContact CD2-CD2 4.47Å; L324-F378 HydrophobicContact CD2-CE2 3.96Å; L324-F378 HydrophobicContact CG-CE2 4.38Å; L324-F381 HydrophobicContact CB-CD2 4.26Å; L324-F381 HydrophobicContact CB-CE2 4.41Å; L324-F381 HydrophobicContact CD1-CE2 4.29Å
325R94.9Very high92.4Very high95 Ų9553.7 Ų53.736%0.35827%0.272SS..Hα-helixtrans-63.2-44.6174.1-179.454.2167.5146.1-4.7112.6I321 S322 Y323 D327 M328 F378 S379 F381I321-R325 PolarHBondContact O-N 3.42Å; S322-R325 PolarHBondContact O-N 3.46Å; Y323-R325 VanDerWaalsContact C-N 3.26Å; Y323-R325 PolarHBondContact O-N 3.2Å; R325-D327 VanDerWaalsContact C-N 3.33Å; R325-D327 PolarHBondContact O-N 3.41Å; R325-M328 PolarHBondContact O-N 2.97Å; R325-F378 VanDerWaalsContact CD-O 3.29Å; R325-F378 WeakPolarHBondContact CD-O 3.47Å; R325-S379 PolarHBondContact NE-O 3.19Å; R325-S379 PolarHBondContact NH1-O 3.44Å; R325-S379 VanDerWaalsContact NH1-O 3.14Å; R325-S379 PolarHBondContact NH2-O 2.76Å; R325-F381 HydrophobicContact CB-CB 3.85Å; R325-F381 WeakPolarHBondContact CD-O 3.5Å; R325-F381 HydrophobicContact CG-CB 4.32Å; R325-F381 VanDerWaalsContact CG-O 3.3Å; R325-F381 WeakPolarHBondContact CG-O 3.49Å; R325-F381 PolarHBondContact NE-O 3.18Å
326R93.9Very high92.3Very high141 Ų14158.7 Ų58.753%0.53229%0.294SS..Hα-helixtrans-62.7-39.4-178.2-178.7-18069.1-167.63.4111.9S322 Y323 M328S322-R326 WeakPolarHBondContact O-CB 3.03Å; S322-R326 PolarHBondContact O-N 3.23Å; Y323-R326 WeakPolarHBondContact O-CB 3.12Å; Y323-R326 PolarHBondContact O-N 2.95Å; Y323-R326 VanDerWaalsContact O-N 3.08Å; R326-M328 VanDerWaalsContact C-N 3.31Å; R326-M328 PolarHBondContact O-N 2.67Å
327D93.4Very high92.2Very high41 Ų4162.4 Ų62.422%0.21931%0.308CS..THydrogen-bonded Turntrans-83.6-2.3-177-105.145.2000114.3Y323 R325 R337 L341Y323-D327 HydrophobicContact CE1-CB 4.23Å; Y323-D327 PolarHBondContact O-N 3.46Å; R325-D327 VanDerWaalsContact C-N 3.33Å; R325-D327 PolarHBondContact O-N 3.41Å; D327-R337 IonicContact OD2-CZ 2.78Å; D327-R337 IonicContact OD2-NH2 3.99Å; D327-R337 PolarHBondContact OD2-NH2 3.25Å; D327-L341 HydrophobicContact CB-CD1 4.17Å; D327-L341 HydrophobicContact CB-CD2 3.94Å
328M91.6Very high92Very high16 Ų1663.4 Ų63.48%0.07931%0.312CS..SBendtrans-81.6133.2179.1-81.6-68.6-67.700112.4L324 R325 R326 K334 R337 K338 L341 F378L324-M328 WeakPolarHBondContact O-CG 3.3Å; L324-M328 PolarHBondContact O-N 3Å; R325-M328 PolarHBondContact O-N 2.97Å; R326-M328 VanDerWaalsContact C-N 3.31Å; R326-M328 PolarHBondContact O-N 2.67Å; M328-K334 HydrophobicContact CE-CB 3.74Å; M328-K334 HydrophobicContact CE-CG 3.98Å; M328-R337 HydrophobicContact SD-CG 4.43Å; M328-K338 HydrophobicContact SD-CB 4.46Å; M328-L341 HydrophobicContact CG-CD1 4.4Å; M328-L341 HydrophobicContact SD-CD1 4.17Å; M328-F378 HydrophobicContact CE-CB 4.09Å; M328-F378 HydrophobicContact CG-CB 3.53Å; M328-F378 HydrophobicContact CG-CD2 4.1Å; M328-F378 HydrophobicContact CG-CG 4.37Å; M328-F378 HydrophobicContact SD-CB 3.88Å; M328-F378 HydrophobicContact SD-CD2 3.9Å; M328-F378 HydrophobicContact SD-CG 4.35Å
329P88.3Confident91.9Very high41 Ų4170.5 Ų70.527%0.26634%0.343SS..  trans-70.4144.7177.829.1-35.2000111.1M332 K334 R337P329-M332 WeakPolarHBondContact CB-O 3.37Å; P329-M332 WeakPolarHBondContact CG-O 3.36Å; P329-K334 HydrophobicContact CG-CG 4.13Å; P329-K334 VanDerWaalsContact O-CE 3.27Å; P329-K334 WeakPolarHBondContact O-CE 3.29Å; P329-R337 HydrophobicContact CG-CB 4.17Å
330S85.1Confident91.8Very high109 Ų10972.5 Ų72.576%0.76235%0.353SS*.SBendtrans-71.4-39-178.2-68.30000113.1K334S330-K334 WeakPolarHBondContact O-CE 3.33Å; S330-K334 PolarHBondContact O-NZ 3.4Å
331M79.2Confident91.7Very high173 Ų17372.8 Ų72.885%0.85235%0.354SS*.SBendtrans-115-68.3-170.1-72.5-174.5166.400114.3
332M84.3Confident91.7Very high174 Ų17473.4 Ų73.486%0.85736%0.358SS*.SBendtrans-113.5151.1-172.6-67.3-171-177.300113P329P329-M332 WeakPolarHBondContact CB-O 3.37Å; P329-M332 WeakPolarHBondContact CG-O 3.36Å
333G87.1Confident91.7Very high46 Ų4679.9 Ų79.947%0.47439%0.387SS..  trans8315.1173.900000116.1E335 K336 R337G333-E335 PolarHBondContact O-N 3.15Å; G333-K336 PolarHBondContact O-N 3.25Å; G333-R337 PolarHBondContact O-N 2.92Å
334K89.2Confident91.7Very high73 Ų7381.2 Ų81.232%0.31740%0.396SS..Hα-helixtrans-53.3-48.9-178-69.1-177.9-178.2176.70113.4M328 P329 S330 R337 K338M328-K334 HydrophobicContact CE-CB 3.74Å; M328-K334 HydrophobicContact CE-CG 3.98Å; P329-K334 HydrophobicContact CG-CG 4.13Å; P329-K334 VanDerWaalsContact O-CE 3.27Å; P329-K334 WeakPolarHBondContact O-CE 3.29Å; S330-K334 WeakPolarHBondContact O-CE 3.33Å; S330-K334 PolarHBondContact O-NZ 3.4Å; K334-R337 PolarHBondContact O-N 3.31Å; K334-K338 VanDerWaalsContact O-CB 3.3Å; K334-K338 WeakPolarHBondContact O-CB 3.5Å; K334-K338 PolarHBondContact O-N 3.49Å
335E90.4Very high91.7Very high119 Ų11981.2 Ų81.256%0.55640%0.396SS*.Hα-helixtrans-66.1-40.4-179.8-73-55.812800113G333 K339G333-E335 PolarHBondContact O-N 3.15Å; E335-K339 WeakPolarHBondContact O-CG 3.23Å; E335-K339 PolarHBondContact O-N 2.92Å; E335-K339 VanDerWaalsContact O-N 3.14Å
336K93.2Very high91.8Very high147 Ų14779.9 Ų79.964%0.63940%0.396SS*.Hα-helixtrans-63.2-48.2176.1-174.5-177.6175.6-174.40110.3G333 K338 K339 E340G333-K336 PolarHBondContact O-N 3.25Å; K336-K338 PolarHBondContact O-N 2.97Å; K336-K339 PolarHBondContact O-N 3.33Å; K336-E340 VanDerWaalsContact CE-OE1 3.27Å; K336-E340 WeakPolarHBondContact CE-OE1 3.43Å; K336-E340 WeakPolarHBondContact O-CG 3.36Å; K336-E340 PolarHBondContact O-N 2.87Å
337R93Very high91.9Very high81 Ų8178.8 Ų78.831%0.30640%0.395SS..Hα-helixtrans-64.5-40.8179.4-172.960.5173.7169.12.9112.2D327 M328 P329 G333 K334 K339 E340 L341D327-R337 IonicContact OD2-CZ 2.78Å; D327-R337 IonicContact OD2-NH2 3.99Å; D327-R337 PolarHBondContact OD2-NH2 3.25Å; M328-R337 HydrophobicContact SD-CG 4.43Å; P329-R337 HydrophobicContact CG-CB 4.17Å; G333-R337 PolarHBondContact O-N 2.92Å; K334-R337 PolarHBondContact O-N 3.31Å; R337-K339 VanDerWaalsContact C-N 3.33Å; R337-K339 PolarHBondContact O-N 2.84Å; R337-E340 WeakPolarHBondContact CD-OE2 3.38Å; R337-E340 IonicContact NH1-OE2 3.19Å; R337-E340 PolarHBondContact NH1-OE2 3.37Å; R337-E340 WeakPolarHBondContact O-CB 3.36Å; R337-E340 PolarHBondContact O-N 3.16Å; R337-L341 HydrophobicContact CG-CD1 4.06Å; R337-L341 HydrophobicContact CG-CG 4.25Å; R337-L341 WeakPolarHBondContact O-CG 3.32Å; R337-L341 PolarHBondContact O-N 3.07Å
338K93.5Very high92Very high22 Ų2277.2 Ų77.210%0.09639%0.386CS..Hα-helixtrans-54.8-48.8174.3174.1179168.9-177.20111.3M328 K334 K336 E340 L341 I342 L373 Q374 H376 F378M328-K338 HydrophobicContact SD-CB 4.46Å; K334-K338 VanDerWaalsContact O-CB 3.3Å; K334-K338 WeakPolarHBondContact O-CB 3.5Å; K334-K338 PolarHBondContact O-N 3.49Å; K336-K338 PolarHBondContact O-N 2.97Å; K338-E340 PolarHBondContact O-N 3.19Å; K338-L341 PolarHBondContact O-N 3.17Å; K338-I342 HydrophobicContact CG-CD1 3.91Å; K338-I342 VanDerWaalsContact O-CG1 3.3Å; K338-I342 WeakPolarHBondContact O-CG1 3.42Å; K338-I342 PolarHBondContact O-N 2.82Å; K338-L373 WeakPolarHBondContact CE-O 3.34Å; K338-Q374 WeakPolarHBondContact CE-O 3.36Å; K338-Q374 PolarHBondContact NZ-O 3.21Å; K338-H376 VanDerWaalsContact CE-O 3.27Å; K338-H376 WeakPolarHBondContact CE-O 3.26Å; K338-H376 PolarHBondContact NZ-O 3.3Å; K338-F378 HydrophobicContact CB-CD2 4.44Å; K338-F378 HydrophobicContact CB-CE2 4.4Å; K338-F378 HydrophobicContact CD-CE1 4.49Å; K338-F378 HydrophobicContact CG-CD2 4.2Å; K338-F378 HydrophobicContact CG-CE1 4.25Å; K338-F378 HydrophobicContact CG-CE2 3.89Å; K338-F378 HydrophobicContact CG-CZ 3.92Å
339K94.6Very high92.3Very high148 Ų14877.4 Ų77.464%0.64339%0.386SS*.Hα-helixtrans-61.3-43.1177-71-179.7-179.4-176.10112.2E335 K336 R337 I342 Q343E335-K339 WeakPolarHBondContact O-CG 3.23Å; E335-K339 PolarHBondContact O-N 2.92Å; E335-K339 VanDerWaalsContact O-N 3.14Å; K336-K339 PolarHBondContact O-N 3.33Å; R337-K339 VanDerWaalsContact C-N 3.33Å; R337-K339 PolarHBondContact O-N 2.84Å; K339-I342 PolarHBondContact O-N 3.07Å; K339-Q343 WeakPolarHBondContact O-CB 3.09Å; K339-Q343 PolarHBondContact O-N 2.86Å
340E95.4Very high92.7Very high62 Ų6280.2 Ų80.229%0.2940%0.396SS..Hα-helixtrans-61.4-42.5176.2-71.1170.9-171.300112.5K336 R337 K338 Q343 N344K336-E340 VanDerWaalsContact CE-OE1 3.27Å; K336-E340 WeakPolarHBondContact CE-OE1 3.43Å; K336-E340 WeakPolarHBondContact O-CG 3.36Å; K336-E340 PolarHBondContact O-N 2.87Å; R337-E340 WeakPolarHBondContact CD-OE2 3.38Å; R337-E340 IonicContact NH1-OE2 3.19Å; R337-E340 PolarHBondContact NH1-OE2 3.37Å; R337-E340 WeakPolarHBondContact O-CB 3.36Å; R337-E340 PolarHBondContact O-N 3.16Å; K338-E340 PolarHBondContact O-N 3.19Å; E340-Q343 PolarHBondContact O-N 2.68Å; E340-N344 WeakPolarHBondContact O-CB 3.27Å; E340-N344 PolarHBondContact O-N 2.88Å; E340-N344 PolarHBondContact O-ND2 3.3Å
341L95.3Very high93.2Very high6 Ų679 Ų793%0.03138%0.378CS..Hα-helixtrans-67.3-42.1179-71.9172.3000111.9Y323 L324 D327 M328 R337 K338 N344 L345 I348 F378Y323-L341 HydrophobicContact CE1-CD2 4.47Å; L324-L341 HydrophobicContact CD2-CB 3.84Å; L324-L341 HydrophobicContact CD2-CD1 4.11Å; L324-L341 HydrophobicContact CD2-CD2 4.4Å; L324-L341 HydrophobicContact CD2-CG 4.34Å; D327-L341 HydrophobicContact CB-CD1 4.17Å; D327-L341 HydrophobicContact CB-CD2 3.94Å; M328-L341 HydrophobicContact CG-CD1 4.4Å; M328-L341 HydrophobicContact SD-CD1 4.17Å; R337-L341 HydrophobicContact CG-CD1 4.06Å; R337-L341 HydrophobicContact CG-CG 4.25Å; R337-L341 WeakPolarHBondContact O-CG 3.32Å; R337-L341 PolarHBondContact O-N 3.07Å; K338-L341 PolarHBondContact O-N 3.17Å; L341-N344 CarbonylContact O-C 3.56Å; L341-N344 PolarHBondContact O-N 3.01Å; L341-L345 PolarHBondContact O-N 3.33Å; L341-I348 HydrophobicContact CB-CD1 4.43Å; L341-I348 HydrophobicContact CD2-CD1 3.87Å; L341-F378 HydrophobicContact CB-CE2 4.18Å; L341-F378 HydrophobicContact CD1-CD2 4.11Å; L341-F378 HydrophobicContact CD1-CE2 4.21Å
342I95.2Very high94Very high15 Ų1571 Ų718%0.07734%0.338CS..Hα-helixtrans-62.1-45.9174.9-68.3170.6000109.8K338 K339 N344 L345 Q370 L373 Q374 F378K338-I342 HydrophobicContact CG-CD1 3.91Å; K338-I342 VanDerWaalsContact O-CG1 3.3Å; K338-I342 WeakPolarHBondContact O-CG1 3.42Å; K338-I342 PolarHBondContact O-N 2.82Å; K339-I342 PolarHBondContact O-N 3.07Å; I342-N344 VanDerWaalsContact C-N 3.32Å; I342-N344 PolarHBondContact O-N 3.41Å; I342-L345 WeakPolarHBondContact O-CB 3.38Å; I342-L345 PolarHBondContact O-N 2.91Å; I342-Q370 HydrophobicContact CG2-CB 3.8Å; I342-Q370 HydrophobicContact CG2-CG 3.96Å; I342-Q370 WeakPolarHBondContact O-CG 3.36Å; I342-Q370 PolarHBondContact O-NE2 2.8Å; I342-L373 HydrophobicContact CD1-CB 4.04Å; I342-L373 HydrophobicContact CG1-CB 3.96Å; I342-Q374 HydrophobicContact CD1-CG 4.09Å; I342-F378 HydrophobicContact CD1-CZ 3.97Å; I342-F378 HydrophobicContact CG1-CE2 4.33Å; I342-F378 HydrophobicContact CG1-CZ 3.75Å
343Q96Very high94.6Very high144 Ų14466 Ų6667%0.67331%0.313SS*.Hα-helixtrans-64.4-35.4-179-171.4178.412.300113K339 E340K339-Q343 WeakPolarHBondContact O-CB 3.09Å; K339-Q343 PolarHBondContact O-N 2.86Å; E340-Q343 PolarHBondContact O-N 2.68Å
344N96.5Very high95Very high53 Ų5373.5 Ų73.528%0.28333%0.327SS..THydrogen-bonded Turntrans-98.123.9179.9-65.1-77000113.2E340 L341 I342 D346 K347 I348E340-N344 WeakPolarHBondContact O-CB 3.27Å; E340-N344 PolarHBondContact O-N 2.88Å; E340-N344 PolarHBondContact O-ND2 3.3Å; L341-N344 CarbonylContact O-C 3.56Å; L341-N344 PolarHBondContact O-N 3.01Å; I342-N344 VanDerWaalsContact C-N 3.32Å; I342-N344 PolarHBondContact O-N 3.41Å; N344-D346 VanDerWaalsContact CA-OD1 3.26Å; N344-D346 WeakPolarHBondContact CA-OD1 3.37Å; N344-D346 PolarHBondContact O-N 3.2Å; N344-K347 HydrophobicContact CB-CD 4.39Å; N344-K347 PolarHBondContact O-N 3.04Å; N344-K347 VanDerWaalsContact O-N 3.13Å; N344-K347 PolarHBondContact OD1-NZ 3.41Å; N344-I348 WeakPolarHBondContact O-CG1 3.19Å; N344-I348 PolarHBondContact O-N 3.24Å; N344-I348 VanDerWaalsContact O-N 3.14Å
345L96.1Very high95.3Very high0 Ų074.6 Ų74.60%033%0.333CS..Hα-helixtrans-61.1-30.6-178-17065.7000112.5I320 L341 I342 I348 Y349 M369 Q370 L373I320-L345 HydrophobicContact CG2-CD1 4.33Å; L341-L345 PolarHBondContact O-N 3.33Å; I342-L345 WeakPolarHBondContact O-CB 3.38Å; I342-L345 PolarHBondContact O-N 2.91Å; L345-I348 HydrophobicContact CD1-CB 4.49Å; L345-I348 HydrophobicContact CD1-CD1 4.43Å; L345-I348 PolarHBondContact O-N 2.93Å; L345-Y349 HydrophobicContact CD1-CD1 4.2Å; L345-Y349 HydrophobicContact CD1-CE1 3.76Å; L345-Y349 HydrophobicContact CD2-CE1 4.05Å; L345-Y349 HydrophobicContact CG-CD1 4.09Å; L345-Y349 HydrophobicContact CG-CE1 3.64Å; L345-Y349 VanDerWaalsContact O-CD1 3.32Å; L345-Y349 WeakPolarHBondContact O-CD1 3.24Å; L345-Y349 PolarHBondContact O-N 2.89Å; L345-M369 HydrophobicContact CD2-CB 3.65Å; L345-Q370 HydrophobicContact CB-CG 4.05Å; L345-Q370 HydrophobicContact CD2-CG 3.77Å; L345-L373 HydrophobicContact CD1-CD1 4.28Å; L345-L373 HydrophobicContact CD2-CD1 4.1Å
346D96.4Very high95.4Very high66 Ų6671.7 Ų71.735%0.35332%0.32SS..Hα-helixtrans-53.9-50.9171.157.4-31.3000112.1N344 I348 Y349 E350 L366N344-D346 VanDerWaalsContact CA-OD1 3.26Å; N344-D346 WeakPolarHBondContact CA-OD1 3.37Å; N344-D346 PolarHBondContact O-N 3.2Å; D346-I348 VanDerWaalsContact C-N 3.33Å; D346-I348 PolarHBondContact O-N 3.34Å; D346-Y349 WeakPolarHBondContact O-CB 3.46Å; D346-Y349 PolarHBondContact O-N 2.97Å; D346-E350 PolarHBondContact O-N 3.14Å; D346-E350 VanDerWaalsContact O-N 3.08Å; D346-L366 VanDerWaalsContact CA-CD1 3.44Å; D346-L366 HydrophobicContact CB-CD1 3.6Å
347K96.4Very high95.4Very high119 Ų11972 Ų7252%0.51733%0.328SS..Hα-helixtrans-68.8-35.1179.7-63.1173.9-171.1159.50111.8N344 Y349 E350 Q351N344-K347 HydrophobicContact CB-CD 4.39Å; N344-K347 PolarHBondContact O-N 3.04Å; N344-K347 VanDerWaalsContact O-N 3.13Å; N344-K347 PolarHBondContact OD1-NZ 3.41Å; K347-Y349 VanDerWaalsContact C-N 3.31Å; K347-E350 PolarHBondContact O-N 3.39Å; K347-Q351 WeakPolarHBondContact O-CB 3.45Å; K347-Q351 PolarHBondContact O-N 2.92Å
348I96Very high95.4Very high7 Ų768.9 Ų68.94%0.03632%0.318CS..Hα-helixtrans-63.3-41.6175-63.6171.3000109.6Y323 L324 L341 N344 L345 D346 Q351 L352Y323-I348 HydrophobicContact CD1-CD1 4.15Å; Y323-I348 HydrophobicContact CD1-CG1 4.26Å; Y323-I348 HydrophobicContact CD1-CG2 3.6Å; Y323-I348 HydrophobicContact CD2-CG2 4.41Å; Y323-I348 HydrophobicContact CE1-CB 4.47Å; Y323-I348 HydrophobicContact CE1-CD1 3.89Å; Y323-I348 HydrophobicContact CE1-CG1 3.8Å; Y323-I348 HydrophobicContact CE1-CG2 3.91Å; Y323-I348 HydrophobicContact CG-CG2 3.93Å; L324-I348 HydrophobicContact CD2-CD1 3.99Å; L341-I348 HydrophobicContact CB-CD1 4.43Å; L341-I348 HydrophobicContact CD2-CD1 3.87Å; N344-I348 WeakPolarHBondContact O-CG1 3.19Å; N344-I348 PolarHBondContact O-N 3.24Å; N344-I348 VanDerWaalsContact O-N 3.14Å; L345-I348 HydrophobicContact CD1-CB 4.49Å; L345-I348 HydrophobicContact CD1-CD1 4.43Å; L345-I348 PolarHBondContact O-N 2.93Å; D346-I348 VanDerWaalsContact C-N 3.33Å; D346-I348 PolarHBondContact O-N 3.34Å; I348-Q351 PolarHBondContact O-N 3.42Å; I348-L352 HydrophobicContact CG2-CD1 3.95Å; I348-L352 HydrophobicContact CG2-CG 4.3Å; I348-L352 WeakPolarHBondContact O-CB 3.49Å; I348-L352 VanDerWaalsContact O-CG 3.3Å; I348-L352 WeakPolarHBondContact O-CG 3.49Å; I348-L352 PolarHBondContact O-N 3.46Å
349Y97.3Very high95.3Very high20 Ų2070.8 Ų70.88%0.07833%0.334CS..Hα-helixtrans-61.3-48.2175.2-77.214.5000111.5I320 L345 D346 K347 Q351 L352 Q353 F363 P364 L366 M369I320-Y349 HydrophobicContact CD1-CD1 4.23Å; I320-Y349 HydrophobicContact CD1-CE1 3.44Å; I320-Y349 VanDerWaalsContact CD1-CE1 3.44Å; I320-Y349 HydrophobicContact CG1-CD1 4.3Å; I320-Y349 HydrophobicContact CG1-CE1 3.85Å; I320-Y349 HydrophobicContact CG2-CE1 4.45Å; L345-Y349 HydrophobicContact CD1-CD1 4.2Å; L345-Y349 HydrophobicContact CD1-CE1 3.76Å; L345-Y349 HydrophobicContact CD2-CE1 4.05Å; L345-Y349 HydrophobicContact CG-CD1 4.09Å; L345-Y349 HydrophobicContact CG-CE1 3.64Å; L345-Y349 VanDerWaalsContact O-CD1 3.32Å; L345-Y349 WeakPolarHBondContact O-CD1 3.24Å; L345-Y349 PolarHBondContact O-N 2.89Å; D346-Y349 WeakPolarHBondContact O-CB 3.46Å; D346-Y349 PolarHBondContact O-N 2.97Å; K347-Y349 VanDerWaalsContact C-N 3.31Å; Y349-Q351 VanDerWaalsContact C-N 3.28Å; Y349-Q351 PolarHBondContact O-N 2.97Å; Y349-L352 PolarHBondContact O-N 3.17Å; Y349-Q353 VanDerWaalsContact O-CB 3.25Å; Y349-Q353 WeakPolarHBondContact O-CB 3.42Å; Y349-Q353 PolarHBondContact O-N 3.45Å; Y349-F363 AromaticContact CD1-CD1 3.78Å; Y349-F363 HydrophobicContact CD1-CD1 3.78Å; Y349-F363 HydrophobicContact CD1-CE1 4.05Å; Y349-F363 HydrophobicContact CD2-CB 3.92Å; Y349-F363 AromaticContact CD2-CD1 3.59Å; Y349-F363 HydrophobicContact CD2-CD1 3.59Å; Y349-F363 HydrophobicContact CD2-CE1 4.4Å; Y349-F363 AromaticContact CD2-CG 3.95Å; Y349-F363 HydrophobicContact CD2-CG 3.95Å; Y349-F363 HydrophobicContact CE1-CD1 4.13Å; Y349-F363 HydrophobicContact CE2-CB 3.89Å; Y349-F363 AromaticContact CE2-CD1 3.95Å; Y349-F363 HydrophobicContact CE2-CD1 3.95Å; Y349-F363 HydrophobicContact CE2-CG 4.3Å; Y349-F363 AromaticContact CG-CD1 3.49Å; Y349-F363 HydrophobicContact CG-CD1 3.49Å; Y349-F363 VanDerWaalsContact CG-CD1 3.49Å; Y349-F363 AromaticContact CG-CE1 3.88Å; Y349-F363 HydrophobicContact CG-CE1 3.88Å; Y349-F363 HydrophobicContact CG-CG 4.26Å; Y349-F363 WeakPolarHBondContact O-CZ 3.38Å; Y349-P364 VanDerWaalsContact CE2-O 3.25Å; Y349-P364 WeakPolarHBondContact CE2-O 3.34Å; Y349-P364 PolarHBondContact OH-O 3.41Å; Y349-P364 VanDerWaalsContact OH-O 3.13Å; Y349-L366 HydrophobicContact CE2-CB 4.28Å; Y349-M369 WeakPolarHBondContact OH-CB 3.42Å; Y349-M369 WeakPolarHBondContact OH-CG 3.33Å
350E96.2Very high95Very high101 Ų10167.8 Ų67.847%0.47233%0.33SS..Hα-helixtrans-58.9-39.5176.9-69.7-176.7-177.400112.7D346 K347 Q353 R354D346-E350 PolarHBondContact O-N 3.14Å; D346-E350 VanDerWaalsContact O-N 3.08Å; K347-E350 PolarHBondContact O-N 3.39Å; E350-Q353 WeakPolarHBondContact O-CB 3.45Å; E350-R354 WeakPolarHBondContact O-CG 3.31Å; E350-R354 PolarHBondContact O-N 2.94Å
351Q96.1Very high94.6Very high84 Ų8468.1 Ų68.139%0.39335%0.349SS..Hα-helixtrans-65.2-50.2176.7-178.7174.4-1000111.3Y323 K347 I348 Y349 Q353 R354 E355Y323-Q351 PolarHBondContact OH-OE1 3.39Å; K347-Q351 WeakPolarHBondContact O-CB 3.45Å; K347-Q351 PolarHBondContact O-N 2.92Å; I348-Q351 PolarHBondContact O-N 3.42Å; Y349-Q351 VanDerWaalsContact C-N 3.28Å; Y349-Q351 PolarHBondContact O-N 2.97Å; Q351-Q353 VanDerWaalsContact C-N 3.27Å; Q351-Q353 PolarHBondContact O-N 3.35Å; Q351-R354 PolarHBondContact O-N 2.84Å; Q351-E355 VanDerWaalsContact O-CB 3.32Å; Q351-E355 WeakPolarHBondContact O-CB 3.25Å; Q351-E355 PolarHBondContact O-N 2.88Å
352L96.2Very high94.2Very high3 Ų370 Ų702%0.01636%0.359CS..Hα-helixtrans-63.5-34.9178.4-69.3177.1000111.9I320 Y323 I348 Y349 R354 E355 H356 F363I320-L352 HydrophobicContact CB-CD1 4.44Å; I320-L352 HydrophobicContact CG1-CD1 3.81Å; Y323-L352 HydrophobicContact CD2-CD2 3.97Å; Y323-L352 HydrophobicContact CD2-CG 4.5Å; Y323-L352 HydrophobicContact CG-CD2 4.48Å; I348-L352 HydrophobicContact CG2-CD1 3.95Å; I348-L352 HydrophobicContact CG2-CG 4.3Å; I348-L352 WeakPolarHBondContact O-CB 3.49Å; I348-L352 VanDerWaalsContact O-CG 3.3Å; I348-L352 WeakPolarHBondContact O-CG 3.49Å; I348-L352 PolarHBondContact O-N 3.46Å; Y349-L352 PolarHBondContact O-N 3.17Å; L352-R354 VanDerWaalsContact C-N 3.34Å; L352-R354 PolarHBondContact O-N 3.25Å; L352-E355 PolarHBondContact O-N 2.84Å; L352-H356 WeakPolarHBondContact O-CB 3.49Å; L352-H356 PolarHBondContact O-N 2.81Å; L352-F363 HydrophobicContact CB-CE1 4.22Å; L352-F363 HydrophobicContact CB-CZ 4.21Å
353Q96Very high94.1Very high69 Ų6970.5 Ų70.532%0.32236%0.361SS..Hα-helixtrans-58.3-47.1175.2-167.7-168.7-21.800110.7Y349 E350 Q351 N357 I358 F363Y349-Q353 VanDerWaalsContact O-CB 3.25Å; Y349-Q353 WeakPolarHBondContact O-CB 3.42Å; Y349-Q353 PolarHBondContact O-N 3.45Å; E350-Q353 WeakPolarHBondContact O-CB 3.45Å; Q351-Q353 VanDerWaalsContact C-N 3.27Å; Q351-Q353 PolarHBondContact O-N 3.35Å; Q353-N357 CarbonylContact O-C 3.48Å; Q353-N357 WeakPolarHBondContact O-CA 3.3Å; Q353-N357 PolarHBondContact O-N 3.04Å; Q353-I358 WeakPolarHBondContact CG-O 3.45Å; Q353-I358 PolarHBondContact O-N 3.3Å; Q353-I358 VanDerWaalsContact O-N 3.11Å; Q353-F363 HydrophobicContact CB-CE2 3.99Å; Q353-F363 HydrophobicContact CB-CZ 4.02Å; Q353-F363 HydrophobicContact CG-CE2 4.16Å
354R95.4Very high93.9Very high204 Ų20464.1 Ų64.177%0.7733%0.332SS*.Hα-helixtrans-73.4-42.5178.4-66.1177.2-169.51777112.6E350 Q351 L352E350-R354 WeakPolarHBondContact O-CG 3.31Å; E350-R354 PolarHBondContact O-N 2.94Å; Q351-R354 PolarHBondContact O-N 2.84Å; L352-R354 VanDerWaalsContact C-N 3.34Å; L352-R354 PolarHBondContact O-N 3.25Å
355E95.3Very high93.4Very high96 Ų9665.5 Ų65.545%0.44934%0.339SS..Hα-helixtrans-66.5-37.7-176.1-172.6176.2163.600112.3Q351 L352Q351-E355 VanDerWaalsContact O-CB 3.32Å; Q351-E355 WeakPolarHBondContact O-CB 3.25Å; Q351-E355 PolarHBondContact O-N 2.88Å; L352-E355 PolarHBondContact O-N 2.84Å
356H93.7Very high93.1Very high58 Ų5867.9 Ų67.927%0.26935%0.352SS..Hα-helixtrans-114.66-175.5-61.3-46.3000114.1Y319 L352 I358Y319-H356 AromaticContact CD1-CD2 3.44Å; Y319-H356 VanDerWaalsContact CD1-CD2 3.44Å; Y319-H356 WeakPolarHBondContact CD1-CD2 3.36Å; Y319-H356 AromaticContact CD1-NE2 3.35Å; Y319-H356 VanDerWaalsContact CD1-NE2 3.35Å; Y319-H356 WeakPolarHBondContact CD1-NE2 3.33Å; Y319-H356 AromaticContact CD2-CD2 3.91Å; Y319-H356 AromaticContact CE1-CD2 3.66Å; Y319-H356 AromaticContact CE1-CE1 3.8Å; Y319-H356 AromaticContact CE1-CG 3.89Å; Y319-H356 AromaticContact CE1-ND1 3.97Å; Y319-H356 AromaticContact CE1-NE2 3.59Å; Y319-H356 HydrophobicContact CE2-CB 4.14Å; Y319-H356 AromaticContact CG-CD2 3.58Å; Y319-H356 AromaticContact CG-NE2 3.94Å; Y319-H356 AromaticContact CZ-CD2 3.98Å; Y319-H356 AromaticContact CZ-CG 3.87Å; L352-H356 WeakPolarHBondContact O-CB 3.49Å; L352-H356 PolarHBondContact O-N 2.81Å; H356-I358 VanDerWaalsContact C-N 3.35Å; H356-I358 HydrophobicContact CB-CD1 3.73Å; H356-I358 HydrophobicContact CB-CG1 3.77Å; H356-I358 PolarHBondContact O-N 2.99Å
357N93Very high92.8Very high153 Ų15371.5 Ų71.582%0.81836%0.364SS*.THydrogen-bonded Turntrans5249.2-178.6-166.241.3000112.9Q353Q353-N357 CarbonylContact O-C 3.48Å; Q353-N357 WeakPolarHBondContact O-CA 3.3Å; Q353-N357 PolarHBondContact O-N 3.04Å
358I92.1Very high92.1Very high16 Ų1667.3 Ų67.38%0.08235%0.346CS..  trans-88.5143.6-177.1-58.8165.7000109.2V316 Y319 Q353 H356 D362 F363V316-I358 HydrophobicContact CG1-CG2 4.49Å; V316-I358 HydrophobicContact CG2-CD1 4.24Å; V316-I358 HydrophobicContact CG2-CG2 3.47Å; V316-I358 VanDerWaalsContact CG2-CG2 3.47Å; Y319-I358 HydrophobicContact CD2-CD1 3.66Å; Y319-I358 HydrophobicContact CE2-CD1 4.03Å; Q353-I358 WeakPolarHBondContact CG-O 3.45Å; Q353-I358 PolarHBondContact O-N 3.3Å; Q353-I358 VanDerWaalsContact O-N 3.11Å; H356-I358 VanDerWaalsContact C-N 3.35Å; H356-I358 HydrophobicContact CB-CD1 3.73Å; H356-I358 HydrophobicContact CB-CG1 3.77Å; H356-I358 PolarHBondContact O-N 2.99Å; I358-D362 HydrophobicContact CG2-CB 4.06Å; I358-F363 HydrophobicContact CB-CE2 3.76Å; I358-F363 HydrophobicContact CB-CZ 4.03Å; I358-F363 HydrophobicContact CD1-CZ 4.04Å; I358-F363 HydrophobicContact CG2-CD2 3.97Å; I358-F363 HydrophobicContact CG2-CE2 3.4Å; I358-F363 VanDerWaalsContact CG2-CE2 3.4Å; I358-F363 HydrophobicContact CG2-CZ 3.91Å
359S92.1Very high91.9Very high62 Ų6267 Ų6743%0.43434%0.344SS..  trans-70136.8171.1-179.30000110.4G361 D362 F363S359-G361 PolarHBondContact O-N 3.14Å; S359-G361 VanDerWaalsContact O-N 3.1Å; S359-G361 PolarHBondContact OG-N 3.37Å; S359-D362 WeakPolarHBondContact CB-OD2 3.41Å; S359-D362 PolarHBondContact O-N 3.17Å; S359-F363 WeakPolarHBondContact O-CD2 3.35Å
360P88.3Confident91.7Very high86 Ų8668.1 Ų68.156%0.55835%0.35SS*.G310 helixtrans-57.1-28.5176.224.2-33.8000112.7D362 F363P360-D362 VanDerWaalsContact C-N 3.3Å; P360-D362 PolarHBondContact O-N 3.26Å; P360-F363 PolarHBondContact O-N 3.03Å
361G86Confident91.4Very high68 Ų6865.6 Ų65.670%0.70134%0.338SS*.G310 helixtrans-73.9-13.7177.400000115.2S359 F363S359-G361 PolarHBondContact O-N 3.14Å; S359-G361 VanDerWaalsContact O-N 3.1Å; S359-G361 PolarHBondContact OG-N 3.37Å; G361-F363 VanDerWaalsContact C-N 3.33Å
362D88.9Confident91Very high45 Ų4562.1 Ų62.124%0.24132%0.322CS..G310 helixtrans-86.5-8.7176.6-66.1-35.3000112.1V316 I358 S359 P360V316-D362 HydrophobicContact CG2-CB 3.91Å; I358-D362 HydrophobicContact CG2-CB 4.06Å; S359-D362 WeakPolarHBondContact CB-OD2 3.41Å; S359-D362 PolarHBondContact O-N 3.17Å; P360-D362 VanDerWaalsContact C-N 3.3Å; P360-D362 PolarHBondContact O-N 3.26Å
363F92.5Very high90.9Very high26 Ų2662 Ų6211%0.11432%0.321CS..SBendtrans-76.5139.2178.2-75.6-94.7000111.5V316 I320 Y349 L352 Q353 I358 S359 P360 G361V316-F363 HydrophobicContact CG1-CD1 3.48Å; V316-F363 VanDerWaalsContact CG1-CD1 3.48Å; V316-F363 HydrophobicContact CG1-CD2 4.43Å; V316-F363 HydrophobicContact CG1-CE1 3.67Å; V316-F363 HydrophobicContact CG1-CG 3.9Å; V316-F363 HydrophobicContact CG1-CZ 4.25Å; I320-F363 HydrophobicContact CD1-CD1 4.27Å; Y349-F363 AromaticContact CD1-CD1 3.78Å; Y349-F363 HydrophobicContact CD1-CD1 3.78Å; Y349-F363 HydrophobicContact CD1-CE1 4.05Å; Y349-F363 HydrophobicContact CD2-CB 3.92Å; Y349-F363 AromaticContact CD2-CD1 3.59Å; Y349-F363 HydrophobicContact CD2-CD1 3.59Å; Y349-F363 HydrophobicContact CD2-CE1 4.4Å; Y349-F363 AromaticContact CD2-CG 3.95Å; Y349-F363 HydrophobicContact CD2-CG 3.95Å; Y349-F363 HydrophobicContact CE1-CD1 4.13Å; Y349-F363 HydrophobicContact CE2-CB 3.89Å; Y349-F363 AromaticContact CE2-CD1 3.95Å; Y349-F363 HydrophobicContact CE2-CD1 3.95Å; Y349-F363 HydrophobicContact CE2-CG 4.3Å; Y349-F363 AromaticContact CG-CD1 3.49Å; Y349-F363 HydrophobicContact CG-CD1 3.49Å; Y349-F363 VanDerWaalsContact CG-CD1 3.49Å; Y349-F363 AromaticContact CG-CE1 3.88Å; Y349-F363 HydrophobicContact CG-CE1 3.88Å; Y349-F363 HydrophobicContact CG-CG 4.26Å; Y349-F363 WeakPolarHBondContact O-CZ 3.38Å; L352-F363 HydrophobicContact CB-CE1 4.22Å; L352-F363 HydrophobicContact CB-CZ 4.21Å; Q353-F363 HydrophobicContact CB-CE2 3.99Å; Q353-F363 HydrophobicContact CB-CZ 4.02Å; Q353-F363 HydrophobicContact CG-CE2 4.16Å; I358-F363 HydrophobicContact CB-CE2 3.76Å; I358-F363 HydrophobicContact CB-CZ 4.03Å; I358-F363 HydrophobicContact CD1-CZ 4.04Å; I358-F363 HydrophobicContact CG2-CD2 3.97Å; I358-F363 HydrophobicContact CG2-CE2 3.4Å; I358-F363 VanDerWaalsContact CG2-CE2 3.4Å; I358-F363 HydrophobicContact CG2-CZ 3.91Å; S359-F363 WeakPolarHBondContact O-CD2 3.35Å; P360-F363 PolarHBondContact O-N 3.03Å; G361-F363 VanDerWaalsContact C-N 3.33Å
364P90.4Very high90.7Very high10 Ų1063.9 Ų63.97%0.06533%0.33CS..PPolyproline II helixtrans-65.2152.5171.521.4-25.2000111.4L313 I320 Y349 L366 M369L313-P364 HydrophobicContact CD1-CB 3.96Å; L313-P364 HydrophobicContact CD1-CG 4.24Å; I320-P364 HydrophobicContact CD1-CG 3.79Å; Y349-P364 VanDerWaalsContact CE2-O 3.25Å; Y349-P364 WeakPolarHBondContact CE2-O 3.34Å; Y349-P364 PolarHBondContact OH-O 3.41Å; Y349-P364 VanDerWaalsContact OH-O 3.13Å; P364-L366 PolarHBondContact O-N 3.38Å; P364-M369 HydrophobicContact CB-CG 3.7Å; P364-M369 HydrophobicContact CB-SD 4.17Å; P364-M369 HydrophobicContact CG-CE 4.21Å; P364-M369 HydrophobicContact CG-CG 3.71Å; P364-M369 HydrophobicContact CG-SD 4.02Å
365D87.4Confident90.4Very high82 Ų8261.3 Ų61.344%0.43933%0.326SS..PPolyproline II helixtrans-50.4127.1177.9179-91.9000111.5K367 R368 M369D365-K367 PolarHBondContact OD1-N 3.25Å; D365-K367 VanDerWaalsContact OD1-N 3.11Å; D365-R368 HydrophobicContact CB-CB 4Å; D365-R368 WeakPolarHBondContact OD1-CB 3.12Å; D365-R368 PolarHBondContact OD1-N 3.18Å; D365-M369 WeakPolarHBondContact O-CB 3.35Å; D365-M369 WeakPolarHBondContact O-CG 3.37Å; D365-M369 PolarHBondContact O-N 3.45Å
366L90.4Very high90.2Very high51 Ų5158.5 Ų58.527%0.26731%0.313SS..Hα-helixtrans-64.1-46.4-171.4-179.3147.7000111.8D346 Y349 P364 M369 Q370D346-L366 VanDerWaalsContact CA-CD1 3.44Å; D346-L366 HydrophobicContact CB-CD1 3.6Å; Y349-L366 HydrophobicContact CE2-CB 4.28Å; P364-L366 PolarHBondContact O-N 3.38Å; L366-M369 PolarHBondContact O-N 3.36Å; L366-Q370 VanDerWaalsContact CD2-CD 3.49Å; L366-Q370 HydrophobicContact CD2-CG 4.23Å; L366-Q370 VanDerWaalsContact O-CG 3.31Å; L366-Q370 WeakPolarHBondContact O-CG 3.26Å; L366-Q370 PolarHBondContact O-N 3.17Å
367K89.7Confident90.1Very high141 Ų14158.8 Ų58.861%0.61332%0.316SS*.Hα-helixtrans-65.8-44.8-176.8-67.9-177178.7-1790110.4D365 M369 Q370 E371D365-K367 PolarHBondContact OD1-N 3.25Å; D365-K367 VanDerWaalsContact OD1-N 3.11Å; K367-M369 PolarHBondContact O-N 3.39Å; K367-Q370 WeakPolarHBondContact O-CB 3.36Å; K367-Q370 PolarHBondContact O-N 3.06Å; K367-E371 WeakPolarHBondContact O-CG 3.2Å; K367-E371 PolarHBondContact O-N 3.46Å
368R81.9Confident90.1Very high32 Ų3251.5 Ų51.512%0.12128%0.278CS..Hα-helixtrans-56-49.3174.3176.5-176168.5163.84.2111.7F45 H46 P179 D365 Q370 E371 Q372F45-R368 PolarHBondContact O-NH2 3.16Å; H46-R368 PolarHBondContact O-NH2 3.01Å; P179-R368 HydrophobicContact CB-CB 4.41Å; D365-R368 HydrophobicContact CB-CB 4Å; D365-R368 WeakPolarHBondContact OD1-CB 3.12Å; D365-R368 PolarHBondContact OD1-N 3.18Å; R368-Q370 VanDerWaalsContact C-N 3.32Å; R368-Q370 PolarHBondContact O-N 3.49Å; R368-E371 PolarHBondContact O-N 3.46Å; R368-Q372 WeakPolarHBondContact O-CG 3.37Å; R368-Q372 PolarHBondContact O-N 2.91Å
369M90.3Very high89.9Confident0 Ų052.1 Ų52.10%028%0.283CS..Hα-helixtrans-63.5-40.3179.7-77.5-71.3-71.300111.4F45 I320 L345 Y349 P364 D365 L366 K367 E371 Q372 L373F45-M369 HydrophobicContact CB-SD 4.46Å; F45-M369 HydrophobicContact CD1-CE 4.42Å; F45-M369 HydrophobicContact CD1-SD 4.02Å; I320-M369 HydrophobicContact CD1-CE 4.28Å; I320-M369 HydrophobicContact CG2-CE 3.95Å; L345-M369 HydrophobicContact CD2-CB 3.65Å; Y349-M369 WeakPolarHBondContact OH-CB 3.42Å; Y349-M369 WeakPolarHBondContact OH-CG 3.33Å; P364-M369 HydrophobicContact CB-CG 3.7Å; P364-M369 HydrophobicContact CB-SD 4.17Å; P364-M369 HydrophobicContact CG-CE 4.21Å; P364-M369 HydrophobicContact CG-CG 3.71Å; P364-M369 HydrophobicContact CG-SD 4.02Å; D365-M369 WeakPolarHBondContact O-CB 3.35Å; D365-M369 WeakPolarHBondContact O-CG 3.37Å; D365-M369 PolarHBondContact O-N 3.45Å; L366-M369 PolarHBondContact O-N 3.36Å; K367-M369 PolarHBondContact O-N 3.39Å; M369-E371 PolarHBondContact O-N 2.93Å; M369-Q372 PolarHBondContact O-N 3.32Å; M369-L373 WeakPolarHBondContact O-CB 3.4Å; M369-L373 WeakPolarHBondContact O-CD1 3.4Å; M369-L373 WeakPolarHBondContact O-CG 3.46Å; M369-L373 PolarHBondContact O-N 3.39Å
370Q93.8Very high89.8Confident43 Ų4356 Ų5620%0.20129%0.293CS..Hα-helixtrans-58.5-46.8174.9-73.9178.9-32.100112.2I342 L345 L366 K367 R368 Q374I342-Q370 HydrophobicContact CG2-CB 3.8Å; I342-Q370 HydrophobicContact CG2-CG 3.96Å; I342-Q370 WeakPolarHBondContact O-CG 3.36Å; I342-Q370 PolarHBondContact O-NE2 2.8Å; L345-Q370 HydrophobicContact CB-CG 4.05Å; L345-Q370 HydrophobicContact CD2-CG 3.77Å; L366-Q370 VanDerWaalsContact CD2-CD 3.49Å; L366-Q370 HydrophobicContact CD2-CG 4.23Å; L366-Q370 VanDerWaalsContact O-CG 3.31Å; L366-Q370 WeakPolarHBondContact O-CG 3.26Å; L366-Q370 PolarHBondContact O-N 3.17Å; K367-Q370 WeakPolarHBondContact O-CB 3.36Å; K367-Q370 PolarHBondContact O-N 3.06Å; R368-Q370 VanDerWaalsContact C-N 3.32Å; R368-Q370 PolarHBondContact O-N 3.49Å; Q370-Q374 WeakPolarHBondContact O-CG 3.25Å; Q370-Q374 PolarHBondContact O-N 3.48Å
371E89.6Confident90.1Very high48 Ų4852.1 Ų52.122%0.22427%0.267CS..Hα-helixtrans-62.9-49.6178.7-71.6171.2-169.300111.7K367 R368 M369 L373 Q374K367-E371 WeakPolarHBondContact O-CG 3.2Å; K367-E371 PolarHBondContact O-N 3.46Å; R368-E371 PolarHBondContact O-N 3.46Å; M369-E371 PolarHBondContact O-N 2.93Å; E371-L373 VanDerWaalsContact C-N 3.33Å; E371-L373 PolarHBondContact O-N 3.49Å; E371-Q374 WeakPolarHBondContact O-CB 3.49Å; E371-Q374 PolarHBondContact O-N 3.02Å; E371-Q374 VanDerWaalsContact O-N 3.14Å
372Q87.7Confident90.5Very high11 Ų1151.9 Ų51.95%0.05125%0.249CC..Hα-helixtrans-63.5-39.8-179.6-70.2-175.5-40.800112.4F45 W184 R368 M369 Q374 H375 H376F45-Q372 HydrophobicContact CD1-CB 3.83Å; F45-Q372 HydrophobicContact CE1-CB 4.09Å; F45-Q372 PolarHBondContact O-NE2 3.36Å; F45-Q372 PolarHBondContact O-OE1 3.35Å; W184-Q372 HydrophobicContact CZ3-CG 4.49Å; R368-Q372 WeakPolarHBondContact O-CG 3.37Å; R368-Q372 PolarHBondContact O-N 2.91Å; M369-Q372 PolarHBondContact O-N 3.32Å; Q372-Q374 PolarHBondContact O-N 3.27Å; Q372-H375 PolarHBondContact O-N 2.71Å; Q372-H375 VanDerWaalsContact O-N 3.16Å; Q372-H376 PolarHBondContact O-ND1 3.08Å
373L93.6Very high90.7Very high0 Ų053.6 Ų53.60%027%0.265CS..Hα-helixtrans-63.2-23.8178.3-75.2170.5000112.8F45 I321 L324 K338 I342 L345 M369 E371 H375 H376 F378 F381F45-L373 HydrophobicContact CE1-CD2 3.65Å; F45-L373 HydrophobicContact CE1-CG 4.06Å; F45-L373 HydrophobicContact CZ-CD2 4Å; I321-L373 HydrophobicContact CD1-CD2 4.31Å; L324-L373 HydrophobicContact CD1-CD1 3.73Å; L324-L373 HydrophobicContact CD1-CD2 3.62Å; L324-L373 HydrophobicContact CD1-CG 4.35Å; K338-L373 WeakPolarHBondContact CE-O 3.34Å; I342-L373 HydrophobicContact CD1-CB 4.04Å; I342-L373 HydrophobicContact CG1-CB 3.96Å; L345-L373 HydrophobicContact CD1-CD1 4.28Å; L345-L373 HydrophobicContact CD2-CD1 4.1Å; M369-L373 WeakPolarHBondContact O-CB 3.4Å; M369-L373 WeakPolarHBondContact O-CD1 3.4Å; M369-L373 WeakPolarHBondContact O-CG 3.46Å; M369-L373 PolarHBondContact O-N 3.39Å; E371-L373 VanDerWaalsContact C-N 3.33Å; E371-L373 PolarHBondContact O-N 3.49Å; L373-H375 PolarHBondContact O-N 3.04Å; L373-H376 PolarHBondContact O-N 2.86Å; L373-F378 HydrophobicContact CB-CE1 3.88Å; L373-F378 HydrophobicContact CB-CZ 3.85Å; L373-F378 HydrophobicContact CD1-CZ 4.4Å; L373-F378 HydrophobicContact CD2-CD1 4.49Å; L373-F378 HydrophobicContact CD2-CE1 3.6Å; L373-F378 HydrophobicContact CD2-CZ 3.88Å; L373-F378 HydrophobicContact CG-CE1 4.28Å; L373-F378 HydrophobicContact CG-CZ 4.26Å; L373-F378 WeakPolarHBondContact O-CE1 3.49Å; L373-F381 HydrophobicContact CD2-CE2 4.04Å; L373-F381 HydrophobicContact CD2-CZ 4.05Å
374Q91.9Very high90.8Very high110 Ų11055.4 Ų55.451%0.51428%0.275SS..Hα-helixtrans-60.6-32.4175.5-67.1175.123.300112.2K338 I342 Q370 E371 Q372K338-Q374 WeakPolarHBondContact CE-O 3.36Å; K338-Q374 PolarHBondContact NZ-O 3.21Å; I342-Q374 HydrophobicContact CD1-CG 4.09Å; Q370-Q374 WeakPolarHBondContact O-CG 3.25Å; Q370-Q374 PolarHBondContact O-N 3.48Å; E371-Q374 WeakPolarHBondContact O-CB 3.49Å; E371-Q374 PolarHBondContact O-N 3.02Å; E371-Q374 VanDerWaalsContact O-N 3.14Å; Q372-Q374 PolarHBondContact O-N 3.27Å
375H90.6Very high91.1Very high150 Ų15059.8 Ų59.869%0.69429%0.293SS*.THydrogen-bonded Turntrans-89.81.1-175.9-56.4-61.5000114.3Q372 L373Q372-H375 PolarHBondContact O-N 2.71Å; Q372-H375 VanDerWaalsContact O-N 3.16Å; L373-H375 PolarHBondContact O-N 3.04Å
376H91.2Very high91.4Very high36 Ų3659.7 Ų59.717%0.16730%0.297CS..SBendtrans-113.5150.1-175.9-6884000112.8E44 F45 K338 Q372 L373 F381E44-H376 IonicContact OE2-CD2 3.3Å; E44-H376 PolarHBondContact OE2-CD2 3.29Å; E44-H376 IonicContact OE2-NE2 2.76Å; E44-H376 PolarHBondContact OE2-NE2 3.47Å; F45-H376 AromaticContact CE1-ND1 3.93Å; F45-H376 HydrophobicContact CZ-CB 4.35Å; F45-H376 AromaticContact CZ-CD2 3.94Å; F45-H376 AromaticContact CZ-CE1 3.89Å; F45-H376 AromaticContact CZ-CG 3.74Å; F45-H376 AromaticContact CZ-ND1 3.72Å; K338-H376 VanDerWaalsContact CE-O 3.27Å; K338-H376 WeakPolarHBondContact CE-O 3.26Å; K338-H376 PolarHBondContact NZ-O 3.3Å; Q372-H376 PolarHBondContact O-ND1 3.08Å; L373-H376 PolarHBondContact O-N 2.86Å; H376-F381 HydrophobicContact CB-CE1 4.02Å; H376-F381 HydrophobicContact CB-CZ 3.83Å
377D90.6Very high91.7Very high64 Ų6465.1 Ų65.134%0.34232%0.319SS..  trans-94.5108.7172.9176.72.4000109.7S379 K380D377-S379 PolarHBondContact O-N 3.37Å; D377-S379 VanDerWaalsContact O-N 3.15Å; D377-S379 VanDerWaalsContact OD1-CB 3.29Å; D377-S379 WeakPolarHBondContact OD1-CB 3.29Å; D377-S379 PolarHBondContact OD1-N 2.79Å; D377-S379 PolarHBondContact OD1-OG 3.24Å; D377-S379 PolarHBondContact OD2-OG 3.41Å; D377-S379 VanDerWaalsContact OD2-OG 3.05Å; D377-K380 HydrophobicContact CB-CD 4.19Å; D377-K380 HydrophobicContact CB-CG 4.26Å; D377-K380 WeakPolarHBondContact O-CB 3.5Å; D377-K380 PolarHBondContact O-N 3.32Å; D377-K380 WeakPolarHBondContact OD2-CE 3.36Å
378F92.5Very high92.1Very high1 Ų159.5 Ų59.50%0.00430%0.295CS..G310 helixtrans-66.5-18-176.9-63.64.8000112.4L324 R325 M328 K338 L341 I342 L373 K380 F381L324-F378 HydrophobicContact CB-CD2 4.09Å; L324-F378 HydrophobicContact CB-CE2 4.31Å; L324-F378 HydrophobicContact CD1-CE2 4.15Å; L324-F378 HydrophobicContact CD1-CZ 4.14Å; L324-F378 HydrophobicContact CD2-CD2 4.47Å; L324-F378 HydrophobicContact CD2-CE2 3.96Å; L324-F378 HydrophobicContact CG-CE2 4.38Å; R325-F378 VanDerWaalsContact CD-O 3.29Å; R325-F378 WeakPolarHBondContact CD-O 3.47Å; M328-F378 HydrophobicContact CE-CB 4.09Å; M328-F378 HydrophobicContact CG-CB 3.53Å; M328-F378 HydrophobicContact CG-CD2 4.1Å; M328-F378 HydrophobicContact CG-CG 4.37Å; M328-F378 HydrophobicContact SD-CB 3.88Å; M328-F378 HydrophobicContact SD-CD2 3.9Å; M328-F378 HydrophobicContact SD-CG 4.35Å; K338-F378 HydrophobicContact CB-CD2 4.44Å; K338-F378 HydrophobicContact CB-CE2 4.4Å; K338-F378 HydrophobicContact CD-CE1 4.49Å; K338-F378 HydrophobicContact CG-CD2 4.2Å; K338-F378 HydrophobicContact CG-CE1 4.25Å; K338-F378 HydrophobicContact CG-CE2 3.89Å; K338-F378 HydrophobicContact CG-CZ 3.92Å; L341-F378 HydrophobicContact CB-CE2 4.18Å; L341-F378 HydrophobicContact CD1-CD2 4.11Å; L341-F378 HydrophobicContact CD1-CE2 4.21Å; I342-F378 HydrophobicContact CD1-CZ 3.97Å; I342-F378 HydrophobicContact CG1-CE2 4.33Å; I342-F378 HydrophobicContact CG1-CZ 3.75Å; L373-F378 HydrophobicContact CB-CE1 3.88Å; L373-F378 HydrophobicContact CB-CZ 3.85Å; L373-F378 HydrophobicContact CD1-CZ 4.4Å; L373-F378 HydrophobicContact CD2-CD1 4.49Å; L373-F378 HydrophobicContact CD2-CE1 3.6Å; L373-F378 HydrophobicContact CD2-CZ 3.88Å; L373-F378 HydrophobicContact CG-CE1 4.28Å; L373-F378 HydrophobicContact CG-CZ 4.26Å; L373-F378 WeakPolarHBondContact O-CE1 3.49Å; F378-K380 PolarHBondContact O-N 2.97Å; F378-F381 HydrophobicContact CB-CD2 3.97Å; F378-F381 HydrophobicContact CB-CE2 4.06Å; F378-F381 HydrophobicContact CD1-CD2 4.08Å; F378-F381 AromaticContact CD1-CE2 3.27Å; F378-F381 HydrophobicContact CD1-CE2 3.27Å; F378-F381 AromaticContact CD1-CZ 3.62Å; F378-F381 HydrophobicContact CD1-CZ 3.62Å; F378-F381 AromaticContact CE1-CE2 3.84Å; F378-F381 HydrophobicContact CE1-CE2 3.84Å; F378-F381 HydrophobicContact CE1-CZ 4.09Å; F378-F381 HydrophobicContact CG-CD2 4.13Å; F378-F381 AromaticContact CG-CE2 3.74Å; F378-F381 HydrophobicContact CG-CE2 3.74Å; F378-F381 HydrophobicContact CG-CZ 4.47Å; F378-F381 WeakPolarHBondContact O-CB 3.49Å; F378-F381 PolarHBondContact O-N 3.46Å
379S87.9Confident92.8Very high28 Ų2858.5 Ų58.520%0.19629%0.292CS..G310 helixtrans-72.4-16.517576.80000113.3R325 D377R325-S379 PolarHBondContact NE-O 3.19Å; R325-S379 PolarHBondContact NH1-O 3.44Å; R325-S379 VanDerWaalsContact NH1-O 3.14Å; R325-S379 PolarHBondContact NH2-O 2.76Å; D377-S379 PolarHBondContact O-N 3.37Å; D377-S379 VanDerWaalsContact O-N 3.15Å; D377-S379 VanDerWaalsContact OD1-CB 3.29Å; D377-S379 WeakPolarHBondContact OD1-CB 3.29Å; D377-S379 PolarHBondContact OD1-N 2.79Å; D377-S379 PolarHBondContact OD1-OG 3.24Å; D377-S379 PolarHBondContact OD2-OG 3.41Å; D377-S379 VanDerWaalsContact OD2-OG 3.05Å
380K90.9Very high93Very high145 Ų14564.5 Ų64.563%0.6332%0.32SS*.G310 helixtrans-91.6-1.4173.7-62-179.2-175.4177.90113.1D377 F378D377-K380 HydrophobicContact CB-CD 4.19Å; D377-K380 HydrophobicContact CB-CG 4.26Å; D377-K380 WeakPolarHBondContact O-CB 3.5Å; D377-K380 PolarHBondContact O-N 3.32Å; D377-K380 WeakPolarHBondContact OD2-CE 3.36Å; F378-K380 PolarHBondContact O-N 2.97Å
381F94.4Very high93.2Very high4 Ų465.4 Ų65.42%0.01833%0.325CS..SBendtrans-72.9151175.2-67.1-12.5000111.1K41 F45 I321 L324 R325 L373 H376 F378K41-F381 HydrophobicContact CD-CD1 4.23Å; K41-F381 HydrophobicContact CD-CE1 4.36Å; F45-F381 HydrophobicContact CZ-CE1 4.36Å; F45-F381 HydrophobicContact CZ-CZ 4Å; I321-F381 HydrophobicContact CD1-CD2 4.18Å; I321-F381 HydrophobicContact CD1-CE1 4.41Å; I321-F381 HydrophobicContact CD1-CE2 3.75Å; I321-F381 HydrophobicContact CD1-CZ 3.89Å; I321-F381 HydrophobicContact CG2-CB 3.73Å; I321-F381 HydrophobicContact CG2-CD1 4.17Å; I321-F381 HydrophobicContact CG2-CD2 3.85Å; I321-F381 HydrophobicContact CG2-CE2 4.49Å; I321-F381 HydrophobicContact CG2-CG 3.67Å; L324-F381 HydrophobicContact CB-CD2 4.26Å; L324-F381 HydrophobicContact CB-CE2 4.41Å; L324-F381 HydrophobicContact CD1-CE2 4.29Å; R325-F381 HydrophobicContact CB-CB 3.85Å; R325-F381 WeakPolarHBondContact CD-O 3.5Å; R325-F381 HydrophobicContact CG-CB 4.32Å; R325-F381 VanDerWaalsContact CG-O 3.3Å; R325-F381 WeakPolarHBondContact CG-O 3.49Å; R325-F381 PolarHBondContact NE-O 3.18Å; L373-F381 HydrophobicContact CD2-CE2 4.04Å; L373-F381 HydrophobicContact CD2-CZ 4.05Å; H376-F381 HydrophobicContact CB-CE1 4.02Å; H376-F381 HydrophobicContact CB-CZ 3.83Å; F378-F381 HydrophobicContact CB-CD2 3.97Å; F378-F381 HydrophobicContact CB-CE2 4.06Å; F378-F381 HydrophobicContact CD1-CD2 4.08Å; F378-F381 AromaticContact CD1-CE2 3.27Å; F378-F381 HydrophobicContact CD1-CE2 3.27Å; F378-F381 AromaticContact CD1-CZ 3.62Å; F378-F381 HydrophobicContact CD1-CZ 3.62Å; F378-F381 AromaticContact CE1-CE2 3.84Å; F378-F381 HydrophobicContact CE1-CE2 3.84Å; F378-F381 HydrophobicContact CE1-CZ 4.09Å; F378-F381 HydrophobicContact CG-CD2 4.13Å; F378-F381 AromaticContact CG-CE2 3.74Å; F378-F381 HydrophobicContact CG-CE2 3.74Å; F378-F381 HydrophobicContact CG-CZ 4.47Å; F378-F381 WeakPolarHBondContact O-CB 3.49Å; F378-F381 PolarHBondContact O-N 3.46Å
382N94Very high93.5Very high63 Ų6363.1 Ų63.134%0.33732%0.315SS..PPolyproline II helixtrans-89.1146.6179.1-70.5-45.9000110.8H39 Y40H39-N382 VanDerWaalsContact CE1-CG 3.42Å; H39-N382 PolarHBondContact CE1-ND2 3.2Å; H39-N382 WeakPolarHBondContact NE2-CB 3.41Å; H39-N382 PolarHBondContact O-ND2 2.93Å; Y40-N382 HydrophobicContact CE1-CB 4.48Å
383S93.9Very high93.9Very high81 Ų8165.2 Ų65.257%0.56633%0.326SS*.PPolyproline II helixtrans-71.3156.1170.956.80000110.9K385S383-K385 PolarHBondContact O-N 2.65Å
384L94.3Very high93.9Very high64 Ų6466.4 Ų66.434%0.33534%0.338SS..PPolyproline II helixtrans-59.2125.2178.8-163.771.3000111.1Y40 Y319 S322 P386 I389Y40-L384 VanDerWaalsContact OH-CA 3.32Å; Y40-L384 WeakPolarHBondContact OH-CA 3.22Å; Y319-L384 HydrophobicContact CD1-CD1 3.9Å; Y319-L384 HydrophobicContact CD1-CD2 4.13Å; Y319-L384 HydrophobicContact CE1-CD1 4.2Å; Y319-L384 HydrophobicContact CE1-CD2 4.05Å; S322-L384 VanDerWaalsContact OG-CA 3.32Å; S322-L384 WeakPolarHBondContact OG-CA 3.44Å; S322-L384 WeakPolarHBondContact OG-CD1 3.39Å; S322-L384 PolarHBondContact OG-N 3.02Å; L384-P386 WeakPolarHBondContact O-CD 3.45Å; L384-I389 HydrophobicContact CD1-CD1 4.11Å; L384-I389 HydrophobicContact CD1-CG1 3.98Å
385K96.3Very high94.1Very high101 Ų10161.1 Ų61.144%0.43931%0.314SS..  trans-102.3104169.4-71.3-172.7179.9173.10109.6H39 Y40 S383 K387 L388H39-K385 WeakPolarHBondContact CE1-CE 3.32Å; H39-K385 PolarHBondContact CE1-NZ 3.09Å; H39-K385 VanDerWaalsContact NE2-CD 3.35Å; H39-K385 WeakPolarHBondContact NE2-CD 3.35Å; H39-K385 WeakPolarHBondContact NE2-CE 3.47Å; Y40-K385 PolarHBondContact OH-N 3.15Å; S383-K385 PolarHBondContact O-N 2.65Å; K385-K387 PolarHBondContact O-N 3.46Å; K385-L388 HydrophobicContact CB-CB 4.48Å; K385-L388 HydrophobicContact CB-CD1 4.1Å; K385-L388 HydrophobicContact CB-CG 4.19Å; K385-L388 HydrophobicContact CD-CD1 4.05Å; K385-L388 PolarHBondContact O-N 2.8Å; K385-L388 VanDerWaalsContact O-N 3.08Å
386P94.8Very high94.2Very high81 Ų8156 Ų5653%0.52629%0.292SS..Hα-helixtrans-53.6-40.1-178.5-28.235.5000113.3L384 L388 I389 E390L384-P386 WeakPolarHBondContact O-CD 3.45Å; P386-L388 VanDerWaalsContact C-N 3.29Å; P386-L388 PolarHBondContact O-N 3.25Å; P386-I389 WeakPolarHBondContact O-CB 3.37Å; P386-I389 PolarHBondContact O-N 2.79Å; P386-E390 WeakPolarHBondContact O-CG 3.33Å; P386-E390 PolarHBondContact O-N 3.49Å
387K96.6Very high94.2Very high164 Ų16458.4 Ų58.471%0.71331%0.312SS*.Hα-helixtrans-56.2-37.5178.9-65.7-174.6178.4-1770114.1K385 M391K385-K387 PolarHBondContact O-N 3.46Å; K387-M391 WeakPolarHBondContact O-CG 3.44Å; K387-M391 PolarHBondContact O-N 3.14Å
388L96.8Very high94.2Very high24 Ų2458.4 Ų58.413%0.12632%0.317CS..Hα-helixtrans-72.6-35.3179.1-68.4177.1000111.3P35 L36 H39 Y40 K385 P386 M391 V392P35-L388 HydrophobicContact CB-CD2 4.09Å; L36-L388 HydrophobicContact CD1-CB 3.66Å; H39-L388 HydrophobicContact CB-CD1 3.76Å; Y40-L388 HydrophobicContact CE2-CD1 4.33Å; K385-L388 HydrophobicContact CB-CB 4.48Å; K385-L388 HydrophobicContact CB-CD1 4.1Å; K385-L388 HydrophobicContact CB-CG 4.19Å; K385-L388 HydrophobicContact CD-CD1 4.05Å; K385-L388 PolarHBondContact O-N 2.8Å; K385-L388 VanDerWaalsContact O-N 3.08Å; P386-L388 VanDerWaalsContact C-N 3.29Å; P386-L388 PolarHBondContact O-N 3.25Å; L388-M391 HydrophobicContact CD2-SD 4.33Å; L388-M391 PolarHBondContact O-N 3.42Å; L388-V392 PolarHBondContact O-N 2.51Å
389I96.9Very high94.1Very high10 Ų1060.2 Ų60.25%0.05133%0.327CS..Hα-helixtrans-67.5-47.6175-57.9-63.5000110L36 K315 A318 Y319 L384 P386 M391 V392 D393L36-I389 HydrophobicContact CD1-CD1 3.85Å; K315-I389 HydrophobicContact CG-CD1 4.4Å; A318-I389 HydrophobicContact CB-CD1 3.99Å; Y319-I389 HydrophobicContact CE1-CD1 4.43Å; Y319-I389 WeakPolarHBondContact OH-CG2 3.18Å; L384-I389 HydrophobicContact CD1-CD1 4.11Å; L384-I389 HydrophobicContact CD1-CG1 3.98Å; P386-I389 WeakPolarHBondContact O-CB 3.37Å; P386-I389 PolarHBondContact O-N 2.79Å; I389-M391 VanDerWaalsContact C-N 3.25Å; I389-M391 PolarHBondContact O-N 2.81Å; I389-V392 PolarHBondContact O-N 3.14Å; I389-D393 PolarHBondContact O-N 3.13Å
390E96Very high94.1Very high126 Ų12659.6 Ų59.659%0.58932%0.321SS*.Hα-helixtrans-57.4-37.1175.5-72.3169.4-168.800112.3P386 D393 G394P386-E390 WeakPolarHBondContact O-CG 3.33Å; P386-E390 PolarHBondContact O-N 3.49Å; E390-D393 PolarHBondContact O-N 3.36Å; E390-G394 PolarHBondContact O-N 3.49Å
391M96.5Very high93.9Very high62 Ų6255.4 Ų55.431%0.30531%0.314SS..Hα-helixtrans-63.2-41.9175.2-78.6173.26000112.5Q31 K32 K387 L388 I389 M395Q31-M391 WeakPolarHBondContact O-CE 3.22Å; K32-M391 HydrophobicContact CD-CB 4.46Å; K32-M391 HydrophobicContact CD-CE 4.19Å; K387-M391 WeakPolarHBondContact O-CG 3.44Å; K387-M391 PolarHBondContact O-N 3.14Å; L388-M391 HydrophobicContact CD2-SD 4.33Å; L388-M391 PolarHBondContact O-N 3.42Å; I389-M391 VanDerWaalsContact C-N 3.25Å; I389-M391 PolarHBondContact O-N 2.81Å; M391-M395 PolarHBondContact O-N 2.93Å
392V96.5Very high93.6Very high0 Ų062 Ų620%034%0.338CS..Hα-helixtrans-74.1-36.6177.3174.20000111.4K32 L33 L36 A311 L388 I389 G394 M395 L396K32-V392 WeakPolarHBondContact O-CG2 3.47Å; L33-V392 HydrophobicContact CD1-CG1 4.43Å; L33-V392 HydrophobicContact CD1-CG2 4.03Å; L36-V392 HydrophobicContact CB-CG2 4.15Å; L36-V392 HydrophobicContact CD2-CG2 3.82Å; L36-V392 HydrophobicContact CG-CG2 4.47Å; A311-V392 HydrophobicContact CB-CG1 4.2Å; L388-V392 PolarHBondContact O-N 2.51Å; I389-V392 PolarHBondContact O-N 3.14Å; V392-G394 VanDerWaalsContact C-N 3.35Å; V392-M395 HydrophobicContact CG1-CE 4.18Å; V392-M395 WeakPolarHBondContact O-CB 3.36Å; V392-M395 PolarHBondContact O-N 3.32Å; V392-L396 HydrophobicContact CG1-CD1 4.16Å; V392-L396 HydrophobicContact CG1-CG 4.42Å; V392-L396 WeakPolarHBondContact O-CG 3.45Å; V392-L396 PolarHBondContact O-N 2.78Å
393D95.3Very high93.2Very high55 Ų5559.5 Ų59.529%0.29433%0.325SS..Hα-helixtrans-64.9-39.7173.7-74.9-25.2000111.7K315 I389 E390 M395 L396 S397K315-D393 IonicContact NZ-OD1 2.77Å; K315-D393 PolarHBondContact NZ-OD1 3.23Å; K315-D393 IonicContact NZ-OD2 2.76Å; K315-D393 PolarHBondContact NZ-OD2 3.1Å; I389-D393 PolarHBondContact O-N 3.13Å; E390-D393 PolarHBondContact O-N 3.36Å; D393-M395 VanDerWaalsContact C-N 3.33Å; D393-M395 PolarHBondContact O-N 2.82Å; D393-L396 PolarHBondContact O-N 3.4Å; D393-S397 WeakPolarHBondContact O-CB 3.34Å; D393-S397 PolarHBondContact O-N 3.14Å; D393-S397 PolarHBondContact O-OG 2.92Å
394G95.2Very high92.7Very high25 Ų2559.9 Ų59.926%0.25832%0.319SS..Hα-helixtrans-61.3-40.9171.100000112.3E390 V392 S397 S398 D399E390-G394 PolarHBondContact O-N 3.49Å; V392-G394 VanDerWaalsContact C-N 3.35Å; G394-S397 PolarHBondContact O-OG 2.86Å; G394-S398 WeakPolarHBondContact O-CB 3.32Å; G394-S398 PolarHBondContact O-N 3.09Å; G394-S398 PolarHBondContact O-OG 3.46Å; G394-D399 PolarHBondContact O-N 3.37Å
395M94.4Very high92.2Very high0 Ų060 Ų600%033%0.325CS..Iπ-helixtrans-61.2-48.5174.2178.3-173.182.600111.8V28 K32 L33 A311 M391 V392 D393 S397 D399 I400V28-M395 HydrophobicContact CG1-CG 3.4Å; V28-M395 VanDerWaalsContact CG1-CG 3.4Å; V28-M395 HydrophobicContact CG1-SD 3.48Å; V28-M395 WeakPolarHBondContact CG1-SD 3.15Å; K32-M395 HydrophobicContact CB-CB 4.08Å; K32-M395 HydrophobicContact CB-CG 4.35Å; K32-M395 HydrophobicContact CB-SD 3.9Å; K32-M395 HydrophobicContact CG-CB 4.36Å; L33-M395 HydrophobicContact CB-CE 4.29Å; L33-M395 HydrophobicContact CB-SD 4.14Å; L33-M395 HydrophobicContact CD2-CE 4.42Å; A311-M395 HydrophobicContact CB-CE 3.29Å; M391-M395 PolarHBondContact O-N 2.93Å; V392-M395 HydrophobicContact CG1-CE 4.18Å; V392-M395 WeakPolarHBondContact O-CB 3.36Å; V392-M395 PolarHBondContact O-N 3.32Å; D393-M395 VanDerWaalsContact C-N 3.33Å; D393-M395 PolarHBondContact O-N 2.82Å; M395-S397 PolarHBondContact O-N 3.25Å; M395-D399 WeakPolarHBondContact CA-OD2 3.44Å; M395-D399 HydrophobicContact CG-CB 4.38Å; M395-D399 PolarHBondContact O-N 3.41Å; M395-I400 HydrophobicContact CG-CD1 4.43Å; M395-I400 VanDerWaalsContact O-CG1 3.3Å; M395-I400 WeakPolarHBondContact O-CG1 3.44Å; M395-I400 PolarHBondContact O-N 3.29Å
396L92.9Very high91.4Very high43 Ų4356.6 Ų56.623%0.22531%0.311CS..Iπ-helixtrans-65.2-35.4-179-71.4172.4000113.3I308 A311 R312 V392 D393 I400I308-L396 HydrophobicContact CG2-CD2 4.17Å; A311-L396 HydrophobicContact CB-CD2 3.96Å; A311-L396 HydrophobicContact CB-CG 4.47Å; R312-L396 HydrophobicContact CG-CD1 4.42Å; V392-L396 HydrophobicContact CG1-CD1 4.16Å; V392-L396 HydrophobicContact CG1-CG 4.42Å; V392-L396 WeakPolarHBondContact O-CG 3.45Å; V392-L396 PolarHBondContact O-N 2.78Å; D393-L396 PolarHBondContact O-N 3.4Å; L396-I400 HydrophobicContact CB-CD1 4.5Å; L396-I400 HydrophobicContact CD2-CD1 3.64Å; L396-I400 HydrophobicContact CG-CD1 4.43Å
397S91.3Very high90.5Very high85 Ų8553.8 Ų53.859%0.59429%0.291SS*.Iπ-helixtrans-91.5-32.2-17556.50000114.5D393 G394 M395D393-S397 WeakPolarHBondContact O-CB 3.34Å; D393-S397 PolarHBondContact O-N 3.14Å; D393-S397 PolarHBondContact O-OG 2.92Å; G394-S397 PolarHBondContact O-OG 2.86Å; M395-S397 PolarHBondContact O-N 3.25Å
398S90.7Very high89.2Confident64 Ų6449.1 Ų49.145%0.44828%0.278SS..Iπ-helixtrans-120.5-52.9-170.769.40000113.7G394 I400 A401 R402G394-S398 WeakPolarHBondContact O-CB 3.32Å; G394-S398 PolarHBondContact O-N 3.09Å; G394-S398 PolarHBondContact O-OG 3.46Å; S398-I400 VanDerWaalsContact C-N 3.32Å; S398-I400 PolarHBondContact O-N 3.46Å; S398-A401 PolarHBondContact O-N 2.87Å; S398-R402 PolarHBondContact O-N 3.05Å
399D90.4Very high87.5Confident39 Ų3952.6 Ų52.621%0.20929%0.293CS..Iπ-helixtrans-63.7-42.2-177.5-65.6-48000110.5V28 G394 M395 R402 L403V28-D399 HydrophobicContact CG1-CB 4.36Å; V28-D399 HydrophobicContact CG2-CB 4.25Å; G394-D399 PolarHBondContact O-N 3.37Å; M395-D399 WeakPolarHBondContact CA-OD2 3.44Å; M395-D399 HydrophobicContact CG-CB 4.38Å; M395-D399 PolarHBondContact O-N 3.41Å; D399-R402 PolarHBondContact O-N 3.37Å; D399-L403 VanDerWaalsContact O-CG 3.3Å; D399-L403 WeakPolarHBondContact O-CG 3.41Å; D399-L403 PolarHBondContact O-N 3.42Å
400I87.8Confident86Confident15 Ų1554 Ų548%0.07730%0.3CS..Hα-helixtrans-65.3-43.6178.3-73.5169000112L304 I308 M395 L396 S398 R402 L403 M404L304-I400 HydrophobicContact CD1-CB 4.5Å; L304-I400 HydrophobicContact CD1-CG1 3.99Å; L304-I400 HydrophobicContact CD1-CG2 4.18Å; I308-I400 HydrophobicContact CD1-CD1 4.24Å; I308-I400 HydrophobicContact CD1-CG2 3.81Å; I308-I400 HydrophobicContact CG1-CD1 3.45Å; I308-I400 VanDerWaalsContact CG1-CD1 3.45Å; I308-I400 HydrophobicContact CG1-CG1 4.32Å; I308-I400 HydrophobicContact CG1-CG2 4.25Å; M395-I400 HydrophobicContact CG-CD1 4.43Å; M395-I400 VanDerWaalsContact O-CG1 3.3Å; M395-I400 WeakPolarHBondContact O-CG1 3.44Å; M395-I400 PolarHBondContact O-N 3.29Å; L396-I400 HydrophobicContact CB-CD1 4.5Å; L396-I400 HydrophobicContact CD2-CD1 3.64Å; L396-I400 HydrophobicContact CG-CD1 4.43Å; S398-I400 VanDerWaalsContact C-N 3.32Å; S398-I400 PolarHBondContact O-N 3.46Å; I400-R402 VanDerWaalsContact C-N 3.27Å; I400-R402 PolarHBondContact O-N 3.08Å; I400-L403 PolarHBondContact O-N 3.4Å; I400-M404 VanDerWaalsContact O-CG 3.29Å; I400-M404 WeakPolarHBondContact O-CG 3.41Å; I400-M404 PolarHBondContact O-N 2.76Å
401A87.3Confident84.2Confident58 Ų5851.4 Ų51.448%0.47929%0.287SS..Hα-helixtrans-62-37.6176.200000111.8S398 M404 S405S398-A401 PolarHBondContact O-N 2.87Å; A401-M404 PolarHBondContact O-N 3.46Å; A401-S405 PolarHBondContact O-N 2.83Å
402R88.4Confident82.1Confident141 Ų14156.6 Ų56.653%0.53231%0.311SS..Hα-helixtrans-66.7-43.2174.3-176.5179.1175.8-168.5-1.5112S398 D399 I400 M404 S405 H406S398-R402 PolarHBondContact O-N 3.05Å; D399-R402 PolarHBondContact O-N 3.37Å; I400-R402 VanDerWaalsContact C-N 3.27Å; I400-R402 PolarHBondContact O-N 3.08Å; R402-M404 VanDerWaalsContact C-N 3.31Å; R402-M404 PolarHBondContact O-N 3.5Å; R402-S405 PolarHBondContact O-N 3.13Å; R402-S405 PolarHBondContact O-OG 3.18Å; R402-H406 WeakPolarHBondContact CG-NE2 3.46Å; R402-H406 PolarHBondContact O-CD2 3.36Å; R402-H406 PolarHBondContact O-N 3.33Å
403L85.8Confident80Confident11 Ų1162.3 Ų62.36%0.05835%0.346CS..Hα-helixtrans-62.3-41175.8-68.5171.3000111.4V21 S24 L25 L304 D399 I400 S405 H406 L407V21-L403 HydrophobicContact CG1-CD2 4.36Å; S24-L403 VanDerWaalsContact CB-CD2 3.43Å; L25-L403 HydrophobicContact CD2-CD1 3.68Å; L25-L403 HydrophobicContact CG-CD1 4.22Å; L304-L403 HydrophobicContact CD1-CD1 4.16Å; D399-L403 VanDerWaalsContact O-CG 3.3Å; D399-L403 WeakPolarHBondContact O-CG 3.41Å; D399-L403 PolarHBondContact O-N 3.42Å; I400-L403 PolarHBondContact O-N 3.4Å; L403-S405 VanDerWaalsContact C-N 3.32Å; L403-S405 PolarHBondContact O-N 3.14Å; L403-H406 PolarHBondContact O-N 2.96Å; L403-H406 VanDerWaalsContact O-N 3.16Å; L403-L407 PolarHBondContact O-N 3.02Å
404M82.6Confident77.9Confident90 Ų9062.6 Ų62.644%0.44335%0.346SS..Hα-helixtrans-60-38.5176.6-74.1-66.7-68.500112.9L301 L304 I400 A401 R402 H406 L407 P408L301-M404 HydrophobicContact CD1-CE 3.99Å; L301-M404 HydrophobicContact CD1-SD 3.71Å; L304-M404 HydrophobicContact CD2-CG 3.8Å; L304-M404 HydrophobicContact CD2-SD 3.33Å; L304-M404 WeakPolarHBondContact CD2-SD 3.45Å; I400-M404 VanDerWaalsContact O-CG 3.29Å; I400-M404 WeakPolarHBondContact O-CG 3.41Å; I400-M404 PolarHBondContact O-N 2.76Å; A401-M404 PolarHBondContact O-N 3.46Å; R402-M404 VanDerWaalsContact C-N 3.31Å; R402-M404 PolarHBondContact O-N 3.5Å; M404-H406 VanDerWaalsContact C-N 3.28Å; M404-H406 PolarHBondContact O-N 3.43Å; M404-L407 PolarHBondContact O-N 3.48Å; M404-L407 HydrophobicContact SD-CD1 3.83Å; M404-P408 WeakPolarHBondContact O-CD 3.35Å
405S83.1Confident75.8Confident67 Ų6767.8 Ų67.847%0.46936%0.362SS..Hα-helixtrans-73.9-19.7178.9680000113.7A401 R402 L403A401-S405 PolarHBondContact O-N 2.83Å; R402-S405 PolarHBondContact O-N 3.13Å; R402-S405 PolarHBondContact O-OG 3.18Å; L403-S405 VanDerWaalsContact C-N 3.32Å; L403-S405 PolarHBondContact O-N 3.14Å
406H80Confident73.8Confident28 Ų2872.5 Ų72.513%0.1339%0.392CS..Hα-helixtrans-88.6-20.4176.2-64.6-46.8000113.6Y18 V21 R402 L403 M404 Q409 E410Y18-H406 AromaticContact CE1-CE1 3.36Å; Y18-H406 WeakPolarHBondContact CE1-CE1 3.45Å; Y18-H406 AromaticContact CE1-CG 3.72Å; Y18-H406 AromaticContact CE1-ND1 3.26Å; Y18-H406 VanDerWaalsContact CE1-ND1 3.26Å; Y18-H406 WeakPolarHBondContact CE1-ND1 3.46Å; Y18-H406 AromaticContact CE1-NE2 3.82Å; Y18-H406 AromaticContact CZ-CE1 3.63Å; Y18-H406 AromaticContact CZ-ND1 3.63Å; Y18-H406 PolarHBondContact OH-CE1 3.25Å; Y18-H406 PolarHBondContact OH-ND1 3.4Å; V21-H406 HydrophobicContact CG2-CB 4.4Å; R402-H406 WeakPolarHBondContact CG-NE2 3.46Å; R402-H406 PolarHBondContact O-CD2 3.36Å; R402-H406 PolarHBondContact O-N 3.33Å; L403-H406 PolarHBondContact O-N 2.96Å; L403-H406 VanDerWaalsContact O-N 3.16Å; M404-H406 VanDerWaalsContact C-N 3.28Å; M404-H406 PolarHBondContact O-N 3.43Å; H406-Q409 PolarHBondContact ND1-OE1 3.17Å; H406-Q409 WeakPolarHBondContact O-CB 3.42Å; H406-Q409 PolarHBondContact O-N 2.91Å; H406-E410 PolarHBondContact O-N 2.88Å
407L76.5Confident71.7Confident22 Ų2276.4 Ų76.412%0.11541%0.41CS..Hα-helixtrans-53.8-49.7179-79.5171.3000113.2V21 A300 L301 L304 L403 M404 Q409 E410 E411V21-L407 HydrophobicContact CB-CD2 4.34Å; V21-L407 HydrophobicContact CG1-CD2 3.85Å; V21-L407 HydrophobicContact CG1-CG 4.42Å; V21-L407 HydrophobicContact CG2-CD2 4.23Å; A300-L407 HydrophobicContact CB-CD2 3.58Å; L301-L407 HydrophobicContact CB-CD1 4.18Å; L301-L407 HydrophobicContact CD1-CD1 3.76Å; L304-L407 HydrophobicContact CD2-CD1 4.23Å; L403-L407 PolarHBondContact O-N 3.02Å; M404-L407 PolarHBondContact O-N 3.48Å; M404-L407 HydrophobicContact SD-CD1 3.83Å; L407-Q409 PolarHBondContact O-N 3.06Å; L407-E410 PolarHBondContact O-N 3.31Å; L407-E411 PolarHBondContact O-N 3.05Å; L407-E411 VanDerWaalsContact O-N 3.14Å
408P68.7Low69.9Low66 Ų6681.5 Ų81.543%0.42942%0.416SS..Hα-helixtrans-61.9-31.9177.7-21.733000113M404 E411 H412M404-P408 WeakPolarHBondContact O-CD 3.35Å; P408-E411 WeakPolarHBondContact O-CB 3.13Å; P408-E411 PolarHBondContact O-N 2.98Å; P408-H412 PolarHBondContact O-CD2 3.37Å; P408-H412 PolarHBondContact O-N 3.48Å
409Q62Low68.7Low97 Ų9779.3 Ų79.345%0.45340%0.4SS..Hα-helixtrans-71.2-35.8179.7-61.4178.5-14.900111.2Y18 H406 L407 H412 V413Y18-Q409 PolarHBondContact OH-OE1 2.77Å; H406-Q409 PolarHBondContact ND1-OE1 3.17Å; H406-Q409 WeakPolarHBondContact O-CB 3.42Å; H406-Q409 PolarHBondContact O-N 2.91Å; L407-Q409 PolarHBondContact O-N 3.06Å; Q409-H412 PolarHBondContact O-N 2.87Å; Q409-V413 WeakPolarHBondContact O-CG2 3.34Å; Q409-V413 PolarHBondContact O-N 3.02Å
410E63.8Low68Low41 Ų4181.7 Ų81.719%0.19241%0.409CS..Hα-helixtrans-67.8-36.4173.6-158.2176.4-145.200111.2S20 V21 H406 L407 H412 V413 I414S20-E410 VanDerWaalsContact CA-OE1 3.29Å; S20-E410 WeakPolarHBondContact CA-OE1 3.41Å; S20-E410 VanDerWaalsContact CB-OE1 3.25Å; S20-E410 WeakPolarHBondContact CB-OE1 3.29Å; V21-E410 WeakPolarHBondContact CB-OE2 3.49Å; V21-E410 HydrophobicContact CG2-CB 4.21Å; V21-E410 HydrophobicContact CG2-CG 4.49Å; V21-E410 WeakPolarHBondContact CG2-OE2 3.31Å; V21-E410 PolarHBondContact N-OE1 3.01Å; H406-E410 PolarHBondContact O-N 2.88Å; L407-E410 PolarHBondContact O-N 3.31Å; E410-H412 PolarHBondContact O-N 2.92Å; E410-V413 PolarHBondContact O-N 3.41Å; E410-I414 HydrophobicContact CG-CD1 3.91Å; E410-I414 HydrophobicContact CG-CG1 4.08Å; E410-I414 WeakPolarHBondContact O-CG1 3.37Å; E410-I414 PolarHBondContact O-N 2.75Å
411E59.7Low67.6Low70 Ų7081 Ų8133%0.32741%0.406SS..Hα-helixtrans-57.8-35.2174.4-64.9-172.4152.900113.1R297 L407 P408R297-E411 HydrophobicContact CG-CG 4.47Å; R297-E411 WeakPolarHBondContact CG-OE1 3.37Å; R297-E411 IonicContact CZ-OE1 3.83Å; R297-E411 IonicContact CZ-OE2 2.62Å; R297-E411 VanDerWaalsContact NE-CD 3.28Å; R297-E411 IonicContact NE-OE1 3.26Å; R297-E411 PolarHBondContact NE-OE1 2.86Å; R297-E411 IonicContact NE-OE2 2.79Å; R297-E411 PolarHBondContact NE-OE2 2.81Å; R297-E411 IonicContact NH2-OE1 2.65Å; R297-E411 PolarHBondContact NH2-OE1 3.48Å; R297-E411 IonicContact NH2-OE2 4Å; R297-E411 PolarHBondContact NH2-OE2 3.18Å; L407-E411 PolarHBondContact O-N 3.05Å; L407-E411 VanDerWaalsContact O-N 3.14Å; P408-E411 WeakPolarHBondContact O-CB 3.13Å; P408-E411 PolarHBondContact O-N 2.98Å
412H52.6Low67.3Low171 Ų17181.2 Ų81.279%0.79240%0.396SS*.Hα-helixtrans-74.7-23.6175.5-73.8-71000113.7P408 Q409 E410P408-H412 PolarHBondContact O-CD2 3.37Å; P408-H412 PolarHBondContact O-N 3.48Å; Q409-H412 PolarHBondContact O-N 2.87Å; E410-H412 PolarHBondContact O-N 2.92Å
413V51.2Low67.1Low121 Ų12175.3 Ų75.373%0.73338%0.379SS*.Hα-helixtrans-93.9-29.7-177.8177.80000111.6Q409 E410 K415Q409-V413 WeakPolarHBondContact O-CG2 3.34Å; Q409-V413 PolarHBondContact O-N 3.02Å; E410-V413 PolarHBondContact O-N 3.41Å; V413-K415 PolarHBondContact O-N 2.81Å; V413-K415 VanDerWaalsContact O-N 3.17Å
414I51.9Low67Low61 Ų6175.3 Ų75.331%0.31338%0.381SS..SBendtrans-62.9117.2174.4-68.3162.2000108E410 R418E410-I414 HydrophobicContact CG-CD1 3.91Å; E410-I414 HydrophobicContact CG-CG1 4.08Å; E410-I414 WeakPolarHBondContact O-CG1 3.37Å; E410-I414 PolarHBondContact O-N 2.75Å; I414-R418 HydrophobicContact CG2-CB 3.76Å
415K51.7Low67Low134 Ų13471.1 Ų71.158%0.58336%0.361SS*.  trans-47.6140.7173.7-68.4-175.4175.1-171.40109.9V413 E417 R418V413-K415 PolarHBondContact O-N 2.81Å; V413-K415 VanDerWaalsContact O-N 3.17Å; K415-E417 HydrophobicContact CB-CB 4.3Å; K415-E417 PolarHBondContact O-N 3.32Å; K415-R418 PolarHBondContact O-N 3.18Å
416P51.2Low66.9Low99 Ų9968.2 Ų68.264%0.64334%0.34SS*.THydrogen-bonded Turntrans-58.2-8.7174.120.9-30.7000113.9S419 K422P416-S419 WeakPolarHBondContact CA-OG 3.38Å; P416-S419 PolarHBondContact O-OG 2.89Å; P416-K422 WeakPolarHBondContact O-CE 3.34Å; P416-K422 PolarHBondContact O-NZ 2.94Å
417E48.3Very low66.5Low125 Ų12569.6 Ų69.658%0.58435%0.353SS*.THydrogen-bonded Turntrans-73.1-23.9170.6-67.6167.4-179.500114.7K415K415-E417 HydrophobicContact CB-CB 4.3Å; K415-E417 PolarHBondContact O-N 3.32Å
418R54.5Low65.6Low192 Ų19273.3 Ų73.373%0.72537%0.369SS*.THydrogen-bonded Turntrans-110.6-11.3-178.5-71.6-176-179.4179.4-0.6114.2P296 I414 K415P296-R418 WeakPolarHBondContact CB-O 3.32Å; I414-R418 HydrophobicContact CG2-CB 3.76Å; K415-R418 PolarHBondContact O-N 3.18Å
419S64.9Low65.1Low17 Ų1772.8 Ų72.812%0.11936%0.363CS..SBendtrans-76.8-26.1-176.5510000113.3P416P416-S419 WeakPolarHBondContact CA-OG 3.38Å; P416-S419 PolarHBondContact O-OG 2.89Å
420F75.5Confident64.5Low89 Ų8976.6 Ų76.639%0.3937%0.373SS..SBendtrans-132.9151.1-178.7-59.5-79000111.4Q293Q293-F420 HydrophobicContact CB-CD1 4.43Å; Q293-F420 WeakPolarHBondContact O-CA 3.38Å
421V80Confident64.2Low2 Ų283.4 Ų83.41%0.01240%0.404CS..  trans-68.7134.4171-173.70000109.1V145 L149 Q293 P296 F426V145-V421 HydrophobicContact CB-CG1 4.19Å; V145-V421 HydrophobicContact CG1-CG1 3.74Å; V145-V421 HydrophobicContact CG2-CG1 4.3Å; L149-V421 HydrophobicContact CD1-CB 4.32Å; L149-V421 HydrophobicContact CD1-CG1 3.97Å; L149-V421 HydrophobicContact CD1-CG2 3.36Å; L149-V421 HydrophobicContact CD2-CG2 4.36Å; L149-V421 HydrophobicContact CG-CG2 3.71Å; Q293-V421 HydrophobicContact CG-CB 4.09Å; P296-V421 HydrophobicContact CG-CG2 3.88Å; V421-F426 HydrophobicContact CB-CD2 4.39Å; V421-F426 HydrophobicContact CB-CG 4.37Å; V421-F426 HydrophobicContact CG1-CD2 3.52Å; V421-F426 HydrophobicContact CG1-CE2 3.67Å; V421-F426 HydrophobicContact CG1-CG 3.96Å; V421-F426 HydrophobicContact CG1-CZ 4.21Å
422K81.9Confident64.3Low62 Ų6282.7 Ų82.727%0.2741%0.405SS..  trans-128.1155.9-178.1-64.4-174.5-177.9-175.10110.5E144 V145 P416E144-K422 CarbonylContact C-O 3.59Å; E144-K422 VanDerWaalsContact CB-O 3.23Å; E144-K422 WeakPolarHBondContact CB-O 3.45Å; V145-K422 WeakPolarHBondContact CA-O 3.49Å; V145-K422 WeakPolarHBondContact CG2-O 3.22Å; V145-K422 PolarHBondContact N-O 3.34Å; P416-K422 WeakPolarHBondContact O-CE 3.34Å; P416-K422 PolarHBondContact O-NZ 2.94Å
423G82.7Confident64.6Low17 Ų1778.3 Ų78.318%0.17539%0.392CS..SBendtrans73.6175.8179.600000113.4V145 F426V145-G423 WeakPolarHBondContact CG2-O 3.26Å; G423-F426 WeakPolarHBondContact O-CB 3Å; G423-F426 WeakPolarHBondContact O-CD2 3.05Å; G423-F426 PolarHBondContact O-N 2.82Å
424G84.3Confident65.3Low11 Ų1181.6 Ų81.611%0.11340%0.397CS..G310 helixtrans56.1-147.4-169.400000111.5L78 E80 F426 S427L78-G424 WeakPolarHBondContact O-CA 3.37Å; E80-G424 VanDerWaalsContact CD-CA 3.48Å; E80-G424 WeakPolarHBondContact OE2-CA 3.45Å; G424-F426 PolarHBondContact O-N 2.79Å; G424-S427 PolarHBondContact O-N 3.15Å; G424-S427 PolarHBondContact O-OG 3.31Å
425A83Confident65.8Low2 Ų279.2 Ų79.22%0.01739%0.385CS..G310 helixtrans-62.1-8.1-179.400000114.1Y77 L78 E80 F289Y77-A425 HydrophobicContact CD1-CB 4.47Å; Y77-A425 HydrophobicContact CE1-CB 4.3Å; L78-A425 PolarHBondContact O-N 3.28Å; L78-A425 VanDerWaalsContact O-N 3.15Å; E80-A425 PolarHBondContact OE1-N 2.91Å; F289-A425 HydrophobicContact CE2-CB 3.71Å; F289-A425 VanDerWaalsContact CE2-O 3.29Å; F289-A425 WeakPolarHBondContact CE2-O 3.23Å; F289-A425 HydrophobicContact CZ-CB 3.62Å
426F81.7Confident66.3Low6 Ų677.1 Ų77.13%0.02638%0.376CS..G310 helixtrans-84.7-10.7177.5-58.4-75.1000113.8L78 V145 F289 L292 Q293 V421 G423 G424L78-F426 HydrophobicContact CB-CE2 4.35Å; L78-F426 HydrophobicContact CD1-CZ 4.49Å; L78-F426 HydrophobicContact CD2-CE1 4.48Å; L78-F426 HydrophobicContact CD2-CE2 4.01Å; L78-F426 HydrophobicContact CD2-CZ 3.74Å; V145-F426 HydrophobicContact CG1-CD2 4.23Å; V145-F426 HydrophobicContact CG1-CE2 3.82Å; V145-F426 HydrophobicContact CG2-CD2 3.77Å; V145-F426 HydrophobicContact CG2-CE2 4.15Å; F289-F426 HydrophobicContact CB-CD1 4.14Å; F289-F426 HydrophobicContact CB-CE1 4.13Å; F289-F426 HydrophobicContact CD1-CE1 4.18Å; F289-F426 HydrophobicContact CG-CD1 4.26Å; F289-F426 HydrophobicContact CG-CE1 4.17Å; L292-F426 HydrophobicContact CB-CE1 3.93Å; L292-F426 HydrophobicContact CB-CZ 4.06Å; L292-F426 HydrophobicContact CD1-CZ 4.21Å; Q293-F426 HydrophobicContact CG-CB 4.43Å; Q293-F426 HydrophobicContact CG-CD1 3.48Å; Q293-F426 VanDerWaalsContact CG-CD1 3.48Å; Q293-F426 HydrophobicContact CG-CE1 4.04Å; Q293-F426 HydrophobicContact CG-CG 4.21Å; Q293-F426 PolarHBondContact NE2-O 2.83Å; V421-F426 HydrophobicContact CB-CD2 4.39Å; V421-F426 HydrophobicContact CB-CG 4.37Å; V421-F426 HydrophobicContact CG1-CD2 3.52Å; V421-F426 HydrophobicContact CG1-CE2 3.67Å; V421-F426 HydrophobicContact CG1-CG 3.96Å; V421-F426 HydrophobicContact CG1-CZ 4.21Å; G423-F426 WeakPolarHBondContact O-CB 3Å; G423-F426 WeakPolarHBondContact O-CD2 3.05Å; G423-F426 PolarHBondContact O-N 2.82Å; G424-F426 PolarHBondContact O-N 2.79Å
427S70.7Confident66.8Low57 Ų5773.8 Ų73.840%0.39936%0.36SS..G310 helixtrans-70.2-31177.5-100000113.3G424 I429 R430G424-S427 PolarHBondContact O-N 3.15Å; G424-S427 PolarHBondContact O-OG 3.31Å; S427-I429 PolarHBondContact O-N 3.44Å; S427-I429 VanDerWaalsContact O-N 3.13Å; S427-R430 PolarHBondContact O-N 3.05Å
428E58.5Low67.3Low99 Ų9970.1 Ų70.146%0.46334%0.343SS..G310 helixtrans-66.4-14-172.5-62-175156.700114R430 S435E428-R430 PolarHBondContact O-N 2.96Å; E428-S435 WeakPolarHBondContact O-CB 3.49Å; E428-S435 PolarHBondContact O-OG 3.15Å
429I56.8Low67.7Low56 Ų5663.1 Ų63.129%0.28733%0.331SS..G310 helixtrans-73.8-10.9177.2-56.6-176000111.9F289 S427F289-I429 HydrophobicContact CB-CD1 3.84Å; F289-I429 HydrophobicContact CD2-CD1 4.46Å; S427-I429 PolarHBondContact O-N 3.44Å; S427-I429 VanDerWaalsContact O-N 3.13Å
430R50.9Low67.8Low176 Ų17666.9 Ų66.966%0.66435%0.346SS*.SBendtrans-91.3143.7172.5-69.6-177.1172-157.3-9111.4S427 E428 T432 S435S427-R430 PolarHBondContact O-N 3.05Å; E428-R430 PolarHBondContact O-N 2.96Å; R430-T432 PolarHBondContact O-N 3.28Å; R430-S435 PolarHBondContact O-OG 2.83Å
431E57.1Low67.6Low184 Ų18462.9 Ų62.986%0.8633%0.331SS*.SBendtrans-36.686.8-177.3-64.8170.9-172.200114.5
432T61.3Low67.2Low56 Ų5663.6 Ų63.634%0.34434%0.335SS..  trans-120.9158.2161.568.10000108.1R430 F434 S435 Q438R430-T432 PolarHBondContact O-N 3.28Å; T432-F434 PolarHBondContact O-N 3.07Å; T432-F434 PolarHBondContact OG1-N 3.28Å; T432-S435 PolarHBondContact N-OG 2.87Å; T432-S435 WeakPolarHBondContact O-CB 3.43Å; T432-S435 PolarHBondContact O-N 2.91Å; T432-S435 PolarHBondContact O-OG 3.47Å; T432-S435 PolarHBondContact OG1-N 3.35Å; T432-S435 PolarHBondContact OG1-OG 2.98Å; T432-S435 VanDerWaalsContact OG1-OG 3.05Å; T432-Q438 PolarHBondContact O-NE2 3.29Å; T432-Q438 PolarHBondContact O-OE1 2.89Å
433P58.7Low66.8Low78 Ų7863.9 Ų63.951%0.50634%0.339SS..THydrogen-bonded Turntrans-58.4-14.5174.8-2635.4000114.6
434F65Low66.3Low191 Ų19164.1 Ų64.184%0.83834%0.339SS*.THydrogen-bonded Turntrans-101.51.1177.2-54.3-71.6000113.1T432T432-F434 PolarHBondContact O-N 3.07Å; T432-F434 PolarHBondContact OG1-N 3.28Å
435S63.2Low65.6Low11 Ų1164.4 Ų64.48%0.07734%0.342CS..SBendtrans-64.6146.6177.9-66.90000110.3E428 R430 T432 G437 Q438E428-S435 WeakPolarHBondContact O-CB 3.49Å; E428-S435 PolarHBondContact O-OG 3.15Å; R430-S435 PolarHBondContact O-OG 2.83Å; T432-S435 PolarHBondContact N-OG 2.87Å; T432-S435 WeakPolarHBondContact O-CB 3.43Å; T432-S435 PolarHBondContact O-N 2.91Å; T432-S435 PolarHBondContact O-OG 3.47Å; T432-S435 PolarHBondContact OG1-N 3.35Å; T432-S435 PolarHBondContact OG1-OG 2.98Å; T432-S435 VanDerWaalsContact OG1-OG 3.05Å; S435-G437 PolarHBondContact O-N 2.91Å; S435-Q438 WeakPolarHBondContact O-CB 3.41Å; S435-Q438 PolarHBondContact O-N 3.38Å
436F61.7Low65Low89 Ų8966.2 Ų66.239%0.3936%0.357SS..THydrogen-bonded Turntrans-47.9123.1179.5-179.8-102.5000112.2E282 D283 H286 Q438E282-F436 HydrophobicContact CB-CD2 4.25Å; E282-F436 HydrophobicContact CB-CE2 4.21Å; D283-F436 HydrophobicContact CB-CE2 4.33Å; D283-F436 HydrophobicContact CB-CZ 4.27Å; D283-F436 WeakPolarHBondContact OD1-CE2 3.12Å; D283-F436 WeakPolarHBondContact OD1-CZ 3.39Å; H286-F436 HydrophobicContact CB-CD1 4.21Å; H286-F436 HydrophobicContact CB-CD2 4.1Å; H286-F436 HydrophobicContact CB-CE1 4.39Å; H286-F436 HydrophobicContact CB-CE2 4.3Å; H286-F436 HydrophobicContact CB-CG 4.05Å; H286-F436 HydrophobicContact CB-CZ 4.43Å; H286-F436 AromaticContact CD2-CD1 3.63Å; H286-F436 AromaticContact CD2-CE1 3.77Å; H286-F436 AromaticContact CE1-CD1 3.97Å; H286-F436 AromaticContact CG-CD1 3.67Å; H286-F436 AromaticContact CG-CG 3.84Å; H286-F436 AromaticContact ND1-CD1 3.9Å; H286-F436 AromaticContact ND1-CG 3.92Å; H286-F436 AromaticContact NE2-CD1 3.82Å; F436-Q438 VanDerWaalsContact C-N 3.29Å; F436-Q438 PolarHBondContact O-N 3.19Å
437G61.2Low64.3Low30 Ų3070.9 Ų70.931%0.30938%0.383SS..THydrogen-bonded Turntrans74.64.4-17900000116.1S435 N443S435-G437 PolarHBondContact O-N 2.91Å; G437-N443 WeakPolarHBondContact O-CB 3.33Å; G437-N443 PolarHBondContact O-ND2 2.89Å
438Q60.1Low64.4Low48 Ų4871.7 Ų71.722%0.22438%0.38CS..THydrogen-bonded Turntrans-77.9142.8168-72.4-147.214.500111.2T432 S435 F436 E440T432-Q438 PolarHBondContact O-NE2 3.29Å; T432-Q438 PolarHBondContact O-OE1 2.89Å; S435-Q438 WeakPolarHBondContact O-CB 3.41Å; S435-Q438 PolarHBondContact O-N 3.38Å; F436-Q438 VanDerWaalsContact C-N 3.29Å; F436-Q438 PolarHBondContact O-N 3.19Å; Q438-E440 PolarHBondContact O-N 3.04Å
439G62Low65.1Low45 Ų4572.8 Ų72.846%0.46440%0.396SS..THydrogen-bonded Turntrans76.2-1.6-176.200000115.2N443 A444G439-N443 PolarHBondContact N-O 3.42Å; G439-A444 WeakPolarHBondContact O-CA 3.31Å
440E67.1Low66.4Low95 Ų9576.3 Ų76.344%0.44441%0.411SS..SBendtrans-121.9154.5-179.6-63-166.3167.200113.3Q438 V442 N443 A444Q438-E440 PolarHBondContact O-N 3.04Å; E440-V442 PolarHBondContact O-N 3.3Å; E440-N443 CarbonylContact O-C 3.55Å; E440-N443 WeakPolarHBondContact O-CA 3.36Å; E440-N443 PolarHBondContact O-N 3.16Å; E440-A444 PolarHBondContact O-N 3.4Å
441G72.3Confident68Low6 Ų668.9 Ų68.96%0.06238%0.383CS..G310 helixtrans56-124.2176.600000112.9N443 A444 L522 H527G441-N443 VanDerWaalsContact C-N 3.25Å; G441-N443 PolarHBondContact O-N 3.22Å; G441-A444 WeakPolarHBondContact O-CB 3.36Å; G441-A444 PolarHBondContact O-N 2.97Å; G441-A444 VanDerWaalsContact O-N 3.16Å; G441-L522 WeakPolarHBondContact O-CD2 3.42Å; G441-H527 VanDerWaalsContact CA-CG 3.45Å; G441-H527 WeakPolarHBondContact CA-ND1 3.39Å
442V71Confident69.3Low16 Ų1660.9 Ų60.910%0.09735%0.347CS..G310 helixtrans-67.2-26.9178.3172.90000112.3E440 A444 L522 E528 M529 P530 P534 H536 L537E440-V442 PolarHBondContact O-N 3.3Å; V442-A444 VanDerWaalsContact C-N 3.32Å; V442-L522 HydrophobicContact CG2-CD1 3.98Å; V442-E528 VanDerWaalsContact CG2-O 3.26Å; V442-E528 WeakPolarHBondContact CG2-O 3.49Å; V442-M529 HydrophobicContact CG2-CE 4.43Å; V442-P530 HydrophobicContact CG1-CB 3.93Å; V442-P530 HydrophobicContact CG1-CG 3.73Å; V442-P530 HydrophobicContact CG2-CG 4.33Å; V442-P534 HydrophobicContact CG1-CG 3.49Å; V442-P534 VanDerWaalsContact CG1-CG 3.49Å; V442-H536 PolarHBondContact O-CE1 3.02Å; V442-H536 PolarHBondContact O-NE2 3.29Å; V442-L537 HydrophobicContact CG1-CD1 3.97Å
443N74.1Confident70.4Confident69 Ų6958.2 Ų58.237%0.36933%0.331SS..G310 helixtrans-89.82.3176.5-60.4-32.9000112.4G437 G439 E440 G441 G445 A446G437-N443 WeakPolarHBondContact O-CB 3.33Å; G437-N443 PolarHBondContact O-ND2 2.89Å; G439-N443 PolarHBondContact N-O 3.42Å; E440-N443 CarbonylContact O-C 3.55Å; E440-N443 WeakPolarHBondContact O-CA 3.36Å; E440-N443 PolarHBondContact O-N 3.16Å; G441-N443 VanDerWaalsContact C-N 3.25Å; G441-N443 PolarHBondContact O-N 3.22Å; N443-G445 PolarHBondContact O-N 3.02Å; N443-A446 VanDerWaalsContact O-CB 3.31Å; N443-A446 WeakPolarHBondContact O-CB 3.32Å; N443-A446 PolarHBondContact O-N 3.18Å
444A71.6Confident71.7Confident21 Ų2156.2 Ų56.217%0.17432%0.324CS..THydrogen-bonded Turntrans-58.9122.8175.100000110G439 E440 G441 V442 A446G439-A444 WeakPolarHBondContact O-CA 3.31Å; E440-A444 PolarHBondContact O-N 3.4Å; G441-A444 WeakPolarHBondContact O-CB 3.36Å; G441-A444 PolarHBondContact O-N 2.97Å; G441-A444 VanDerWaalsContact O-N 3.16Å; V442-A444 VanDerWaalsContact C-N 3.32Å; A444-A446 VanDerWaalsContact C-N 3.33Å; A444-A446 PolarHBondContact O-N 3.25Å
445G69.9Low72.6Confident17 Ų1752.1 Ų52.118%0.17531%0.306CS..THydrogen-bonded Turntrans68.623.4-176.400000115.3N443 D447 E448 V452N443-G445 PolarHBondContact O-N 3.02Å; G445-D447 PolarHBondContact O-N 2.95Å; G445-E448 WeakPolarHBondContact O-CB 3.3Å; G445-E448 PolarHBondContact O-N 3.27Å; G445-V452 WeakPolarHBondContact O-CG2 3.37Å
446A70Confident73.6Confident40 Ų4054.7 Ų54.733%0.33132%0.316SS..THydrogen-bonded Turntrans-56.2-35172.500000113N443 A444 E448N443-A446 VanDerWaalsContact O-CB 3.31Å; N443-A446 WeakPolarHBondContact O-CB 3.32Å; N443-A446 PolarHBondContact O-N 3.18Å; A444-A446 VanDerWaalsContact C-N 3.33Å; A444-A446 PolarHBondContact O-N 3.25Å; A446-E448 VanDerWaalsContact C-N 3.29Å
447D68Low74.8Confident105 Ų10554.1 Ų54.156%0.56131%0.312SS*.THydrogen-bonded Turntrans-82.5-4176-61.6-39.5000113.5G445G445-D447 PolarHBondContact O-N 2.95Å
448E72.3Confident76.1Confident74 Ų7460.2 Ų60.235%0.34633%0.326SS..  trans-82.1133.9-179.8-67.2-167.3178.600111.4G445 A446 Q450 K455G445-E448 WeakPolarHBondContact O-CB 3.3Å; G445-E448 PolarHBondContact O-N 3.27Å; A446-E448 VanDerWaalsContact C-N 3.29Å; E448-Q450 PolarHBondContact O-N 3.21Å; E448-K455 IonicContact OE1-NZ 2.73Å; E448-K455 PolarHBondContact OE1-NZ 2.79Å; E448-K455 WeakPolarHBondContact OE2-CE 3.31Å; E448-K455 IonicContact OE2-NZ 3.22Å; E448-K455 PolarHBondContact OE2-NZ 3.24Å
449P73.7Confident77.5Confident122 Ų12262.6 Ų62.679%0.79234%0.336SS*.SBendtrans-69.4-21.3177.527.1-33.8000112.8
450Q82.2Confident79Confident130 Ų13061.5 Ų61.561%0.60732%0.318SS*.SBendtrans-91.6154-177.8-64.6-175.73.300111.4E448 V452E448-Q450 PolarHBondContact O-N 3.21Å; Q450-V452 PolarHBondContact O-N 2.97Å; Q450-V452 VanDerWaalsContact O-N 3.15Å
451W85.9Confident80.1Confident19 Ų1959.5 Ų59.57%0.07231%0.31CS..  trans-68.5113.1173.5-176.649.4000110V453 G454 D511 A514 L515 L537 P539 P540W451-V453 VanDerWaalsContact C-N 3.32Å; W451-V453 HydrophobicContact CD2-CB 3.94Å; W451-V453 VanDerWaalsContact CE2-CB 3.48Å; W451-V453 HydrophobicContact CE3-CB 4.33Å; W451-V453 HydrophobicContact CH2-CB 3.89Å; W451-V453 HydrophobicContact CH2-CG1 3.76Å; W451-V453 HydrophobicContact CZ2-CB 3.47Å; W451-V453 VanDerWaalsContact CZ2-CB 3.47Å; W451-V453 HydrophobicContact CZ2-CG1 3.69Å; W451-V453 HydrophobicContact CZ2-CG2 3.96Å; W451-V453 HydrophobicContact CZ3-CB 4.3Å; W451-V453 HydrophobicContact CZ3-CG1 4.38Å; W451-V453 PolarHBondContact O-N 3.02Å; W451-G454 WeakPolarHBondContact O-CA 3.3Å; W451-G454 PolarHBondContact O-N 2.62Å; W451-D511 HydrophobicContact CH2-CB 3.96Å; W451-D511 WeakPolarHBondContact CH2-O 3.22Å; W451-D511 HydrophobicContact CZ3-CB 4.37Å; W451-A514 HydrophobicContact CH2-CB 4.34Å; W451-L515 HydrophobicContact CZ2-CB 4.28Å; W451-L537 PolarHBondContact NE1-O 2.99Å; W451-P539 HydrophobicContact CH2-CB 4.38Å; W451-P539 HydrophobicContact CH2-CG 4.36Å; W451-P539 HydrophobicContact CZ2-CB 4.07Å; W451-P539 HydrophobicContact CZ2-CG 3.78Å; W451-P540 HydrophobicContact CB-CG 3.81Å; W451-P540 HydrophobicContact CG-CG 4.29Å
452V83.5Confident81Confident17 Ų1765.8 Ų65.810%0.10334%0.338CS..G310 helixtrans-56.7-44.7-172.6-179.60000111.9G445 Q450 G454 K455G445-V452 WeakPolarHBondContact O-CG2 3.37Å; Q450-V452 PolarHBondContact O-N 2.97Å; Q450-V452 VanDerWaalsContact O-N 3.15Å; V452-G454 PolarHBondContact O-N 2.84Å; V452-K455 WeakPolarHBondContact O-CB 2.88Å; V452-K455 PolarHBondContact O-N 3.49Å; V452-K455 VanDerWaalsContact O-N 3.17Å
453V85.8Confident82Confident0 Ų067 Ų670%035%0.345CS..G310 helixtrans-61.2-29.3177.4-175.40000111.7W451 K455 E456 R457 W460 A514 L515 Y518 L537W451-V453 VanDerWaalsContact C-N 3.32Å; W451-V453 HydrophobicContact CD2-CB 3.94Å; W451-V453 VanDerWaalsContact CE2-CB 3.48Å; W451-V453 HydrophobicContact CE3-CB 4.33Å; W451-V453 HydrophobicContact CH2-CB 3.89Å; W451-V453 HydrophobicContact CH2-CG1 3.76Å; W451-V453 HydrophobicContact CZ2-CB 3.47Å; W451-V453 VanDerWaalsContact CZ2-CB 3.47Å; W451-V453 HydrophobicContact CZ2-CG1 3.69Å; W451-V453 HydrophobicContact CZ2-CG2 3.96Å; W451-V453 HydrophobicContact CZ3-CB 4.3Å; W451-V453 HydrophobicContact CZ3-CG1 4.38Å; W451-V453 PolarHBondContact O-N 3.02Å; V453-K455 PolarHBondContact O-N 2.74Å; V453-E456 PolarHBondContact O-N 3.38Å; V453-R457 PolarHBondContact O-N 3.48Å; V453-W460 HydrophobicContact CG1-CZ3 4.12Å; V453-A514 HydrophobicContact CG1-CB 3.99Å; V453-L515 HydrophobicContact CG2-CD1 4.02Å; V453-Y518 HydrophobicContact CB-CG 4.44Å; V453-Y518 HydrophobicContact CG1-CG 4.31Å; V453-Y518 HydrophobicContact CG2-CD1 3.62Å; V453-Y518 HydrophobicContact CG2-CD2 4.25Å; V453-Y518 HydrophobicContact CG2-CE1 4.08Å; V453-Y518 HydrophobicContact CG2-CG 3.71Å; V453-L537 HydrophobicContact CG2-CD2 4.26Å
454G85.4Confident83Confident35 Ų3563.9 Ų63.936%0.36133%0.329SS..G310 helixtrans-59.8-27.9178.500000113.6W451 V452 E456W451-G454 WeakPolarHBondContact O-CA 3.3Å; W451-G454 PolarHBondContact O-N 2.62Å; V452-G454 PolarHBondContact O-N 2.84Å; G454-E456 VanDerWaalsContact C-N 3.29Å; G454-E456 PolarHBondContact O-N 3.43Å
455K84Confident84.1Confident106 Ų10668.9 Ų68.946%0.46135%0.349SS..G310 helixtrans-67.7-30.2176.6-63.4-175.6-175175.90112.8E448 V452 V453 Y458E448-K455 IonicContact OE1-NZ 2.73Å; E448-K455 PolarHBondContact OE1-NZ 2.79Å; E448-K455 WeakPolarHBondContact OE2-CE 3.31Å; E448-K455 IonicContact OE2-NZ 3.22Å; E448-K455 PolarHBondContact OE2-NZ 3.24Å; V452-K455 WeakPolarHBondContact O-CB 2.88Å; V452-K455 PolarHBondContact O-N 3.49Å; V452-K455 VanDerWaalsContact O-N 3.17Å; V453-K455 PolarHBondContact O-N 2.74Å; K455-Y458 WeakPolarHBondContact O-CD1 3.44Å; K455-Y458 WeakPolarHBondContact O-CE1 3.07Å
456E83.4Confident85.2Confident65 Ų6574.7 Ų74.730%0.30437%0.371SS..THydrogen-bonded Turntrans-109-7.2-176.2-59.1-155.5124.400113.5V453 G454 Y458 K459 W460V453-E456 PolarHBondContact O-N 3.38Å; G454-E456 VanDerWaalsContact C-N 3.29Å; G454-E456 PolarHBondContact O-N 3.43Å; E456-Y458 PolarHBondContact O-N 3.2Å; E456-K459 HydrophobicContact CB-CD 4.23Å; E456-K459 VanDerWaalsContact O-CB 3.24Å; E456-K459 WeakPolarHBondContact O-CB 3.36Å; E456-K459 WeakPolarHBondContact O-CG 3.26Å; E456-K459 PolarHBondContact O-N 3.41Å; E456-K459 IonicContact OE1-NZ 3.78Å; E456-K459 PolarHBondContact OE1-NZ 3.27Å; E456-W460 HydrophobicContact CB-CH2 3.88Å; E456-W460 HydrophobicContact CB-CZ3 3.85Å
457R87.5Confident86.3Confident77 Ų7774.8 Ų74.829%0.29137%0.366SS..THydrogen-bonded Turntrans-45.5-41.9-179.1176.7-175.2170.9164.312.9113.4V453 K459 W460 D461 S510 D511 A514V453-R457 PolarHBondContact O-N 3.48Å; R457-K459 PolarHBondContact O-N 2.84Å; R457-W460 PolarHBondContact O-N 3.01Å; R457-D461 WeakPolarHBondContact CG-OD1 3.48Å; R457-D461 IonicContact NE-OD1 2.75Å; R457-D461 PolarHBondContact NE-OD1 3.17Å; R457-D461 IonicContact NE-OD2 3.82Å; R457-D461 PolarHBondContact O-N 2.87Å; R457-D461 VanDerWaalsContact O-N 3.15Å; R457-S510 PolarHBondContact NH2-OG 3.07Å; R457-D511 IonicContact CZ-OD1 3.11Å; R457-D511 IonicContact NE-OD1 3.61Å; R457-D511 IonicContact NH1-OD1 3Å; R457-D511 PolarHBondContact NH1-OD1 3.13Å; R457-D511 IonicContact NH2-OD1 3.48Å; R457-D511 PolarHBondContact NH2-OD1 3.22Å; R457-A514 HydrophobicContact CB-CB 4.32Å; R457-A514 HydrophobicContact CG-CB 3.97Å
458Y88.8Confident87.5Confident157 Ų15772 Ų7262%0.61636%0.362SS*.Hα-helixtrans-55.1-25.4-179.475.2-88.6000113.4K455 E456 W460K455-Y458 WeakPolarHBondContact O-CD1 3.44Å; K455-Y458 WeakPolarHBondContact O-CE1 3.07Å; E456-Y458 PolarHBondContact O-N 3.2Å; Y458-W460 VanDerWaalsContact C-N 3.3Å; Y458-W460 PolarHBondContact O-N 3.32Å
459K89.1Confident88.4Confident99 Ų9970 Ų7043%0.4336%0.356SS..Hα-helixtrans-67.7-29.2176.7-61.7178.4-178.3175.40112.6E456 R457E456-K459 HydrophobicContact CB-CD 4.23Å; E456-K459 VanDerWaalsContact O-CB 3.24Å; E456-K459 WeakPolarHBondContact O-CB 3.36Å; E456-K459 WeakPolarHBondContact O-CG 3.26Å; E456-K459 PolarHBondContact O-N 3.41Å; E456-K459 IonicContact OE1-NZ 3.78Å; E456-K459 PolarHBondContact OE1-NZ 3.27Å; R457-K459 PolarHBondContact O-N 2.84Å
460W92.7Very high89.3Confident21 Ų2170.3 Ų70.38%0.0835%0.349CS..Hα-helixtrans-105.6-15-176.8-55.6-63.4000113.4V453 E456 R457 Y458 E462 T463 F464 F513 A514 N517 Y518V453-W460 HydrophobicContact CG1-CZ3 4.12Å; E456-W460 HydrophobicContact CB-CH2 3.88Å; E456-W460 HydrophobicContact CB-CZ3 3.85Å; R457-W460 PolarHBondContact O-N 3.01Å; Y458-W460 VanDerWaalsContact C-N 3.3Å; Y458-W460 PolarHBondContact O-N 3.32Å; W460-E462 VanDerWaalsContact C-N 3.32Å; W460-E462 PolarHBondContact O-N 2.8Å; W460-T463 WeakPolarHBondContact O-CB 3.17Å; W460-T463 PolarHBondContact O-N 3.37Å; W460-T463 VanDerWaalsContact O-N 3.12Å; W460-F464 WeakPolarHBondContact O-CB 3.49Å; W460-F464 PolarHBondContact O-N 2.98Å; W460-F513 HydrophobicContact CB-CD1 4.28Å; W460-F513 HydrophobicContact CB-CE1 4.11Å; W460-A514 HydrophobicContact CE3-CB 3.9Å; W460-A514 HydrophobicContact CZ3-CB 4.46Å; W460-N517 HydrophobicContact CD2-CB 3.68Å; W460-N517 VanDerWaalsContact CE2-CB 3.43Å; W460-N517 HydrophobicContact CE3-CB 4.45Å; W460-N517 HydrophobicContact CG-CB 3.76Å; W460-N517 HydrophobicContact CZ2-CB 4.01Å; W460-N517 VanDerWaalsContact NE1-CB 3.33Å; W460-Y518 HydrophobicContact CH2-CD2 4.29Å
461D91Very high89.7Confident53 Ų5372 Ų7228%0.28336%0.362SS..Hα-helixtrans-57.3-43179.1-74.9-27.4000112R457 T463 F464 Q465 S510R457-D461 WeakPolarHBondContact CG-OD1 3.48Å; R457-D461 IonicContact NE-OD1 2.75Å; R457-D461 PolarHBondContact NE-OD1 3.17Å; R457-D461 IonicContact NE-OD2 3.82Å; R457-D461 PolarHBondContact O-N 2.87Å; R457-D461 VanDerWaalsContact O-N 3.15Å; D461-T463 PolarHBondContact O-N 3.17Å; D461-F464 WeakPolarHBondContact O-CB 3.5Å; D461-F464 PolarHBondContact O-N 3.47Å; D461-Q465 WeakPolarHBondContact O-CG 3.37Å; D461-Q465 PolarHBondContact O-N 3.48Å; D461-S510 PolarHBondContact OD1-OG 2.91Å
462E91.7Very high90Very high138 Ų13873.1 Ų73.165%0.64538%0.38SS*.Hα-helixtrans-63.9-42.5176.6-169.5-175.7171.800111.7W460 F464 Q465 Q466W460-E462 VanDerWaalsContact C-N 3.32Å; W460-E462 PolarHBondContact O-N 2.8Å; E462-F464 VanDerWaalsContact C-N 3.33Å; E462-F464 PolarHBondContact O-N 3.36Å; E462-Q465 PolarHBondContact O-N 3.04Å; E462-Q466 WeakPolarHBondContact O-CG 3.49Å; E462-Q466 PolarHBondContact O-N 3.09Å; E462-Q466 PolarHBondContact OE1-NE2 3.15Å
463T92.6Very high90.5Very high41 Ų4174.9 Ų74.925%0.25239%0.386SS..Hα-helixtrans-64.2-40.7177.3-58.80000110.8W460 D461 Q465 Q466 L467 F513W460-T463 WeakPolarHBondContact O-CB 3.17Å; W460-T463 PolarHBondContact O-N 3.37Å; W460-T463 VanDerWaalsContact O-N 3.12Å; D461-T463 PolarHBondContact O-N 3.17Å; T463-Q465 VanDerWaalsContact C-N 3.35Å; T463-Q465 PolarHBondContact O-N 3.18Å; T463-Q466 PolarHBondContact O-N 2.9Å; T463-L467 WeakPolarHBondContact O-CG 3.09Å; T463-L467 PolarHBondContact O-N 3.32Å; T463-L467 VanDerWaalsContact O-N 3.1Å; T463-F513 HydrophobicContact CG2-CE1 4.32Å; T463-F513 HydrophobicContact CG2-CZ 4.1Å
464F94.5Very high90.9Very high4 Ų475 Ų752%0.01839%0.387CS..Hα-helixtrans-59.3-46.2176.1-178.3-101.2000111.1W460 D461 E462 Q466 L467 P469 G472 I474 F513W460-F464 WeakPolarHBondContact O-CB 3.49Å; W460-F464 PolarHBondContact O-N 2.98Å; D461-F464 WeakPolarHBondContact O-CB 3.5Å; D461-F464 PolarHBondContact O-N 3.47Å; E462-F464 VanDerWaalsContact C-N 3.33Å; E462-F464 PolarHBondContact O-N 3.36Å; F464-Q466 PolarHBondContact O-N 3.4Å; F464-L467 PolarHBondContact O-N 2.89Å; F464-P469 HydrophobicContact CD1-CB 4.41Å; F464-P469 HydrophobicContact CD1-CG 4.13Å; F464-P469 HydrophobicContact CE1-CB 3.63Å; F464-P469 HydrophobicContact CE1-CG 3.73Å; F464-P469 HydrophobicContact CZ-CB 3.75Å; F464-P469 HydrophobicContact CZ-CG 4.34Å; F464-P469 WeakPolarHBondContact O-CD 3.39Å; F464-G472 WeakPolarHBondContact CZ-O 3.39Å; F464-I474 HydrophobicContact CD2-CD1 4.38Å; F464-I474 HydrophobicContact CD2-CG2 4.21Å; F464-I474 HydrophobicContact CE2-CB 4.46Å; F464-I474 HydrophobicContact CE2-CD1 4.33Å; F464-I474 HydrophobicContact CE2-CG1 4.05Å; F464-I474 HydrophobicContact CE2-CG2 3.79Å; F464-I474 HydrophobicContact CZ-CG2 4.27Å; F464-F513 HydrophobicContact CB-CD1 3.73Å; F464-F513 HydrophobicContact CB-CE1 3.9Å; F464-F513 HydrophobicContact CD2-CB 3.64Å; F464-F513 AromaticContact CD2-CD1 3.68Å; F464-F513 HydrophobicContact CD2-CD1 3.68Å; F464-F513 HydrophobicContact CD2-CD2 4.32Å; F464-F513 HydrophobicContact CD2-CE1 4.38Å; F464-F513 AromaticContact CD2-CG 3.62Å; F464-F513 HydrophobicContact CD2-CG 3.62Å; F464-F513 HydrophobicContact CE2-CB 3.98Å; F464-F513 HydrophobicContact CE2-CG 4.36Å; F464-F513 HydrophobicContact CG-CD1 4.16Å
465Q94.2Very high91.4Very high127 Ų12776.5 Ų76.559%0.59339%0.389SS*.Hα-helixtrans-64-39.6176.8-65.8-60.2-20.500112.5D461 E462 T463 L467 G468D461-Q465 WeakPolarHBondContact O-CG 3.37Å; D461-Q465 PolarHBondContact O-N 3.48Å; E462-Q465 PolarHBondContact O-N 3.04Å; T463-Q465 VanDerWaalsContact C-N 3.35Å; T463-Q465 PolarHBondContact O-N 3.18Å; Q465-L467 PolarHBondContact O-N 3.17Å; Q465-G468 PolarHBondContact O-N 2.92Å
466Q93.2Very high91.8Very high139 Ų13972.4 Ų72.465%0.6538%0.377SS*.Hα-helixtrans-64.5-25.9176.4-72.3176.312.100113.4E462 T463 F464 G468E462-Q466 WeakPolarHBondContact O-CG 3.49Å; E462-Q466 PolarHBondContact O-N 3.09Å; E462-Q466 PolarHBondContact OE1-NE2 3.15Å; T463-Q466 PolarHBondContact O-N 2.9Å; F464-Q466 PolarHBondContact O-N 3.4Å; Q466-G468 PolarHBondContact O-N 3.49Å
467L92.9Very high92.2Very high42 Ų4272.9 Ų72.922%0.2239%0.392CS..THydrogen-bonded Turntrans-74.1-6.3174.3-68.6173.9000113.3T463 F464 Q465 I474 T478 H482 F513T463-L467 WeakPolarHBondContact O-CG 3.09Å; T463-L467 PolarHBondContact O-N 3.32Å; T463-L467 VanDerWaalsContact O-N 3.1Å; F464-L467 PolarHBondContact O-N 2.89Å; Q465-L467 PolarHBondContact O-N 3.17Å; L467-I474 HydrophobicContact CB-CG2 4.18Å; L467-I474 HydrophobicContact CD1-CD1 3.97Å; L467-T478 HydrophobicContact CB-CG2 3.95Å; L467-T478 HydrophobicContact CD2-CG2 4.02Å; L467-T478 HydrophobicContact CG-CG2 4.39Å; L467-H482 HydrophobicContact CD1-CB 4.12Å; L467-H482 HydrophobicContact CD2-CB 4.39Å; L467-F513 HydrophobicContact CD1-CE2 3.62Å; L467-F513 HydrophobicContact CD1-CZ 3.57Å
468G92.3Very high92.5Very high47 Ų4771.5 Ų71.549%0.48539%0.392SS..  trans70.465.417500000113.2Q465 Q466Q465-G468 PolarHBondContact O-N 2.92Å; Q466-G468 PolarHBondContact O-N 3.49Å
469P92.7Very high92.7Very high32 Ų3264 Ų6421%0.20836%0.363CS..  trans-64.8137.8179.228.2-33.2000110.9F464 K473 I474F464-P469 HydrophobicContact CD1-CB 4.41Å; F464-P469 HydrophobicContact CD1-CG 4.13Å; F464-P469 HydrophobicContact CE1-CB 3.63Å; F464-P469 HydrophobicContact CE1-CG 3.73Å; F464-P469 HydrophobicContact CZ-CB 3.75Å; F464-P469 HydrophobicContact CZ-CG 4.34Å; F464-P469 WeakPolarHBondContact O-CD 3.39Å; P469-K473 CarbonylContact C-O 3.53Å; P469-K473 VanDerWaalsContact CA-O 3.29Å; P469-K473 WeakPolarHBondContact CA-O 3.35Å; P469-I474 HydrophobicContact CB-CG2 4.04Å
470I91.3Very high92.9Very high127 Ų12765.6 Ų65.665%0.65137%0.37SS*.BIsolated β-bridgetrans-106.5126.6174.5-58.5174.1000106.6G472 K473I470-G472 PolarHBondContact O-N 3.42Å; I470-G472 VanDerWaalsContact O-N 3.12Å; I470-K473 PolarHBondContact N-O 2.89Å; I470-K473 PolarHBondContact O-N 3Å; I470-K473 VanDerWaalsContact O-O 3.12Å
471D91.1Very high92.9Very high165 Ų16567.7 Ų67.788%0.88239%0.391SS*.THydrogen-bonded Turntrans5134.3-174.1-61.4-28.6000113.7K473D471-K473 VanDerWaalsContact C-N 3.32Å; D471-K473 PolarHBondContact O-N 3.18Å
472G91.7Very high93.1Very high44 Ų4466.7 Ų66.745%0.45439%0.385SS..THydrogen-bonded Turntrans77.810.1179.700000115.2F464 I470F464-G472 WeakPolarHBondContact CZ-O 3.39Å; I470-G472 PolarHBondContact O-N 3.42Å; I470-G472 VanDerWaalsContact O-N 3.12Å
473K94.5Very high93.2Very high53 Ų5360.5 Ų60.523%0.2336%0.356CS..EExtended strand (participates in β ladder)trans-128.4152.3178.9-62.8-168.3172.6-163.20112.6P469 I470 D471 D503 D505 M507 L508 D509P469-K473 CarbonylContact C-O 3.53Å; P469-K473 VanDerWaalsContact CA-O 3.29Å; P469-K473 WeakPolarHBondContact CA-O 3.35Å; I470-K473 PolarHBondContact N-O 2.89Å; I470-K473 PolarHBondContact O-N 3Å; I470-K473 VanDerWaalsContact O-O 3.12Å; D471-K473 VanDerWaalsContact C-N 3.32Å; D471-K473 PolarHBondContact O-N 3.18Å; K473-D503 IonicContact NZ-OD2 2.68Å; K473-D503 PolarHBondContact NZ-OD2 3.21Å; K473-D505 IonicContact NZ-OD2 2.98Å; K473-D505 PolarHBondContact NZ-OD2 3.3Å; K473-M507 HydrophobicContact CB-CB 4.2Å; K473-M507 HydrophobicContact CB-SD 4.49Å; K473-M507 HydrophobicContact CD-CB 4.17Å; K473-L508 WeakPolarHBondContact CA-O 3.39Å; K473-D509 HydrophobicContact CG-CB 4.11Å
474I95.3Very high93.3Very high3 Ų361.8 Ų61.82%0.01536%0.364CS..EExtended strand (participates in β ladder)trans-108.7144.7169.562.8172000110.6F464 L467 P469 T478 A479 M507 L508 F513F464-I474 HydrophobicContact CD2-CD1 4.38Å; F464-I474 HydrophobicContact CD2-CG2 4.21Å; F464-I474 HydrophobicContact CE2-CB 4.46Å; F464-I474 HydrophobicContact CE2-CD1 4.33Å; F464-I474 HydrophobicContact CE2-CG1 4.05Å; F464-I474 HydrophobicContact CE2-CG2 3.79Å; F464-I474 HydrophobicContact CZ-CG2 4.27Å; L467-I474 HydrophobicContact CB-CG2 4.18Å; L467-I474 HydrophobicContact CD1-CD1 3.97Å; P469-I474 HydrophobicContact CB-CG2 4.04Å; I474-T478 HydrophobicContact CB-CG2 4.49Å; I474-A479 HydrophobicContact CD1-CB 3.81Å; I474-A479 HydrophobicContact CG1-CB 4.3Å; I474-M507 WeakPolarHBondContact O-CA 3.48Å; I474-M507 WeakPolarHBondContact O-CB 3.1Å; I474-L508 HydrophobicContact CG1-CB 4.05Å; I474-L508 PolarHBondContact N-O 2.65Å; I474-L508 PolarHBondContact O-N 3.33Å; I474-F513 HydrophobicContact CD1-CD2 3.49Å; I474-F513 VanDerWaalsContact CD1-CD2 3.49Å; I474-F513 HydrophobicContact CD1-CE2 3.8Å; I474-F513 HydrophobicContact CD1-CG 4.3Å
475T94.7Very high93.2Very high66 Ų6668.7 Ų68.741%0.40539%0.394SS..EExtended strand (participates in β ladder)trans-71.7154.8178.672.40000111.8A477 T478 A479T475-A477 PolarHBondContact O-N 2.92Å; T475-A477 VanDerWaalsContact O-N 3.14Å; T475-T478 PolarHBondContact O-N 3.04Å; T475-T478 VanDerWaalsContact O-N 3.08Å; T475-T478 PolarHBondContact OG1-N 2.95Å; T475-T478 PolarHBondContact OG1-OG1 3.13Å; T475-T478 VanDerWaalsContact OG1-OG1 3.14Å; T475-A479 PolarHBondContact O-N 2.98Å
476G91.7Very high93.1Very high21 Ų2163.9 Ų63.922%0.21637%0.374CS..Hα-helixtrans-57-27.2173.900000114.7K480 G506G476-K480 WeakPolarHBondContact O-CB 3.41Å; G476-K480 PolarHBondContact O-N 2.65Å; G476-G506 PolarHBondContact N-O 3.08Å
477A91.9Very high93.1Very high74 Ų7466.5 Ų66.561%0.61238%0.384SS*.Hα-helixtrans-68.5-46.5174.200000111.9T475 K480 A481T475-A477 PolarHBondContact O-N 2.92Å; T475-A477 VanDerWaalsContact O-N 3.14Å; A477-K480 PolarHBondContact O-N 3.18Å; A477-A481 WeakPolarHBondContact O-CB 3.49Å; A477-A481 PolarHBondContact O-N 3.16Å
478T94.4Very high93Very high48 Ų4865.7 Ų65.729%0.29438%0.379SS..Hα-helixtrans-63.2-48176.5-54.40000111L467 I474 T475 K480 A481 H482L467-T478 HydrophobicContact CB-CG2 3.95Å; L467-T478 HydrophobicContact CD2-CG2 4.02Å; L467-T478 HydrophobicContact CG-CG2 4.39Å; I474-T478 HydrophobicContact CB-CG2 4.49Å; T475-T478 PolarHBondContact O-N 3.04Å; T475-T478 VanDerWaalsContact O-N 3.08Å; T475-T478 PolarHBondContact OG1-N 2.95Å; T475-T478 PolarHBondContact OG1-OG1 3.13Å; T475-T478 VanDerWaalsContact OG1-OG1 3.14Å; T478-K480 PolarHBondContact O-N 3.29Å; T478-A481 PolarHBondContact O-N 3.13Å; T478-H482 PolarHBondContact O-N 3.35Å; T478-H482 VanDerWaalsContact O-N 3.11Å
479A93.7Very high92.9Very high0 Ų067 Ų670%038%0.38CS..Hα-helixtrans-61.4-45.2177.900000111.9I474 T475 A481 H482 M483 W497 L508I474-A479 HydrophobicContact CD1-CB 3.81Å; I474-A479 HydrophobicContact CG1-CB 4.3Å; T475-A479 PolarHBondContact O-N 2.98Å; A479-A481 PolarHBondContact O-N 3.17Å; A479-H482 WeakPolarHBondContact O-CB 3.49Å; A479-H482 PolarHBondContact O-N 3.15Å; A479-H482 VanDerWaalsContact O-N 3.12Å; A479-M483 VanDerWaalsContact O-CG 3.26Å; A479-M483 WeakPolarHBondContact O-CG 3.49Å; A479-M483 PolarHBondContact O-N 3.5Å; A479-W497 HydrophobicContact CB-CE3 4.43Å; A479-W497 HydrophobicContact CB-CH2 4.28Å; A479-W497 HydrophobicContact CB-CZ3 3.52Å; A479-L508 HydrophobicContact CB-CD1 3.88Å
480K93Very high92.8Very high133 Ų13371 Ų7158%0.57840%0.399SS*.Hα-helixtrans-58.5-45.3175.5-179.8179.6179.4-179.40112G476 A477 T478 H482 M483 V484G476-K480 WeakPolarHBondContact O-CB 3.41Å; G476-K480 PolarHBondContact O-N 2.65Å; A477-K480 PolarHBondContact O-N 3.18Å; T478-K480 PolarHBondContact O-N 3.29Å; K480-H482 PolarHBondContact O-N 3.17Å; K480-M483 PolarHBondContact O-N 3.35Å; K480-V484 HydrophobicContact CG-CG2 4.23Å; K480-V484 WeakPolarHBondContact O-CB 3.42Å; K480-V484 VanDerWaalsContact O-CG2 3.26Å; K480-V484 WeakPolarHBondContact O-CG2 3.46Å; K480-V484 PolarHBondContact O-N 3.47Å
481A93.4Very high92.8Very high64 Ų6469.3 Ų69.353%0.52940%0.398SS..Hα-helixtrans-60.7-33178.200000112.2A477 T478 A479A477-A481 WeakPolarHBondContact O-CB 3.49Å; A477-A481 PolarHBondContact O-N 3.16Å; T478-A481 PolarHBondContact O-N 3.13Å; A479-A481 PolarHBondContact O-N 3.17Å
482H94.7Very high92.7Very high32 Ų3262.6 Ų62.615%0.14836%0.363CS..Hα-helixtrans-72.5-53.6171.8-179.268.7000112.2L467 T478 A479 K480 V484 K485 F513 N517L467-H482 HydrophobicContact CD1-CB 4.12Å; L467-H482 HydrophobicContact CD2-CB 4.39Å; T478-H482 PolarHBondContact O-N 3.35Å; T478-H482 VanDerWaalsContact O-N 3.11Å; A479-H482 WeakPolarHBondContact O-CB 3.49Å; A479-H482 PolarHBondContact O-N 3.15Å; A479-H482 VanDerWaalsContact O-N 3.12Å; K480-H482 PolarHBondContact O-N 3.17Å; H482-V484 VanDerWaalsContact C-N 3.29Å; H482-V484 PolarHBondContact O-N 3.19Å; H482-K485 VanDerWaalsContact O-CB 3.22Å; H482-K485 WeakPolarHBondContact O-CB 3.42Å; H482-K485 WeakPolarHBondContact O-CG 3.38Å; H482-K485 PolarHBondContact O-N 3.02Å; H482-F513 AromaticContact CD2-CE2 3.55Å; H482-F513 AromaticContact CD2-CZ 3.54Å; H482-F513 AromaticContact NE2-CZ 3.61Å; H482-N517 PolarHBondContact NE2-OD1 3.31Å; H482-N517 VanDerWaalsContact NE2-OD1 3.07Å
483M93.9Very high92.8Very high9 Ų961.1 Ų61.14%0.04435%0.345CS..Hα-helixtrans-60.3-34.8-175.2-68.1174.677.400113A479 K480 K485 S486 L493 I496 W497 I520A479-M483 VanDerWaalsContact O-CG 3.26Å; A479-M483 WeakPolarHBondContact O-CG 3.49Å; A479-M483 PolarHBondContact O-N 3.5Å; K480-M483 PolarHBondContact O-N 3.35Å; M483-K485 PolarHBondContact O-N 2.96Å; M483-S486 VanDerWaalsContact O-CB 3.3Å; M483-S486 WeakPolarHBondContact O-CB 3.34Å; M483-S486 PolarHBondContact O-N 2.94Å; M483-S486 VanDerWaalsContact O-N 3.1Å; M483-S486 PolarHBondContact O-OG 3.16Å; M483-L493 HydrophobicContact CB-CD2 4.12Å; M483-L493 HydrophobicContact CE-CD2 4.29Å; M483-I496 HydrophobicContact CE-CB 4.04Å; M483-I496 HydrophobicContact CE-CG2 3.63Å; M483-W497 HydrophobicContact SD-CE3 4.13Å; M483-I520 HydrophobicContact CB-CD1 4.15Å; M483-I520 HydrophobicContact CE-CD1 4.17Å; M483-I520 HydrophobicContact CG-CD1 3.92Å
484V94.4Very high92.7Very high68 Ų6861.5 Ų61.541%0.41235%0.354SS..G310 helixtrans-62.4-24.2177.1168.60000112.4K480 H482 S486 K487 L493K480-V484 HydrophobicContact CG-CG2 4.23Å; K480-V484 WeakPolarHBondContact O-CB 3.42Å; K480-V484 VanDerWaalsContact O-CG2 3.26Å; K480-V484 WeakPolarHBondContact O-CG2 3.46Å; K480-V484 PolarHBondContact O-N 3.47Å; H482-V484 VanDerWaalsContact C-N 3.29Å; H482-V484 PolarHBondContact O-N 3.19Å; V484-S486 PolarHBondContact O-N 3.21Å; V484-K487 PolarHBondContact O-N 2.91Å; V484-L493 HydrophobicContact CG2-CD1 3.95Å
485K93.4Very high92.5Very high149 Ų14965 Ų6565%0.64837%0.369SS*.G310 helixtrans-64.4-21.7176.1-60.2174.3-176.2172.90113H482 M483 K487H482-K485 VanDerWaalsContact O-CB 3.22Å; H482-K485 WeakPolarHBondContact O-CB 3.42Å; H482-K485 WeakPolarHBondContact O-CG 3.38Å; H482-K485 PolarHBondContact O-N 3.02Å; M483-K485 PolarHBondContact O-N 2.96Å; K485-K487 PolarHBondContact O-N 3.13Å
486S91.5Very high92.5Very high26 Ų2661.9 Ų61.918%0.18235%0.35CS..G310 helixtrans-64.7-14.1173.168.60000113.5M483 V484 L488M483-S486 VanDerWaalsContact O-CB 3.3Å; M483-S486 WeakPolarHBondContact O-CB 3.34Å; M483-S486 PolarHBondContact O-N 2.94Å; M483-S486 VanDerWaalsContact O-N 3.1Å; M483-S486 PolarHBondContact O-OG 3.16Å; V484-S486 PolarHBondContact O-N 3.21Å; S486-L488 PolarHBondContact O-N 3.17Å; S486-L488 PolarHBondContact OG-N 3.29Å
487K92.8Very high92.6Very high194 Ų19463.4 Ų63.484%0.84335%0.349SS*.  trans6212.7-174.8-53.1178.1-179.2175.40114.4V484 K485V484-K487 PolarHBondContact O-N 2.91Å; K485-K487 PolarHBondContact O-N 3.13Å
488L91.7Very high92.7Very high25 Ų2567.2 Ų67.213%0.13135%0.352CS..  trans-68.9149.9172.3-68.6175000111.1S486 V492 L493 I496 I520 K523 L524S486-L488 PolarHBondContact O-N 3.17Å; S486-L488 PolarHBondContact OG-N 3.29Å; L488-V492 HydrophobicContact CB-CG1 4.41Å; L488-V492 HydrophobicContact CD1-CG1 4.27Å; L488-L493 HydrophobicContact CB-CD2 3.8Å; L488-L493 HydrophobicContact CB-CG 4.02Å; L488-L493 HydrophobicContact CD1-CD2 4.16Å; L488-I496 HydrophobicContact CD1-CD1 4.11Å; L488-I520 HydrophobicContact CD1-CB 4.33Å; L488-I520 HydrophobicContact CD1-CG1 4.19Å; L488-I520 HydrophobicContact CD1-CG2 3.99Å; L488-K523 HydrophobicContact CD1-CB 4.11Å; L488-K523 HydrophobicContact CD1-CG 4.17Å; L488-K523 HydrophobicContact CD2-CG 3.96Å; L488-L524 HydrophobicContact CD2-CD2 3.94Å; L488-L524 HydrophobicContact CD2-CG 4.49Å; L488-L524 HydrophobicContact CG-CD2 4.23Å
489P90.1Very high92.6Very high75 Ų7565.5 Ų65.549%0.48734%0.341SS..  trans-58.9145.9176.3-23.733.3000112.8S491 V492 L493P489-S491 PolarHBondContact O-N 3.43Å; P489-S491 VanDerWaalsContact O-N 3.13Å; P489-V492 HydrophobicContact CB-CG2 4.23Å; P489-V492 HydrophobicContact CG-CG2 4.25Å; P489-V492 WeakPolarHBondContact O-CA 3.48Å; P489-V492 WeakPolarHBondContact O-CB 3.48Å; P489-V492 PolarHBondContact O-N 3.22Å; P489-L493 PolarHBondContact O-N 2.87Å
490N90.4Very high92.6Very high115 Ų11565.5 Ų65.562%0.61534%0.341SS*.Hα-helixtrans-57.1-31.6179.1-75.1-28.9000113.6V492 S494N490-V492 VanDerWaalsContact C-N 3.34Å; N490-S494 VanDerWaalsContact O-CB 3.26Å; N490-S494 WeakPolarHBondContact O-CB 3.21Å; N490-S494 PolarHBondContact O-N 3.32Å
491S91Very high92.6Very high91 Ų9159.9 Ų59.964%0.63632%0.318SS*.Hα-helixtrans-63.7-39.817551.80000112.2P489 K495P489-S491 PolarHBondContact O-N 3.43Å; P489-S491 VanDerWaalsContact O-N 3.13Å; S491-K495 PolarHBondContact O-N 3.4Å
492V89.7Confident92.5Very high25 Ų2557.9 Ų57.915%0.15230%0.298CS..Hα-helixtrans-71.1-48.1176.9174.90000110.3L488 P489 N490 S494 K495 I496 K523L488-V492 HydrophobicContact CB-CG1 4.41Å; L488-V492 HydrophobicContact CD1-CG1 4.27Å; P489-V492 HydrophobicContact CB-CG2 4.23Å; P489-V492 HydrophobicContact CG-CG2 4.25Å; P489-V492 WeakPolarHBondContact O-CA 3.48Å; P489-V492 WeakPolarHBondContact O-CB 3.48Å; P489-V492 PolarHBondContact O-N 3.22Å; N490-V492 VanDerWaalsContact C-N 3.34Å; V492-S494 VanDerWaalsContact C-N 3.26Å; V492-S494 PolarHBondContact O-N 3.47Å; V492-K495 WeakPolarHBondContact O-CA 3.27Å; V492-K495 WeakPolarHBondContact O-CB 3.43Å; V492-K495 PolarHBondContact O-N 2.88Å; V492-I496 HydrophobicContact CG1-CD1 3.92Å; V492-I496 HydrophobicContact CG1-CG1 4.48Å; V492-I496 WeakPolarHBondContact O-CG1 3.41Å; V492-I496 PolarHBondContact O-N 2.88Å; V492-K523 HydrophobicContact CG1-CD 4.45Å; V492-K523 HydrophobicContact CG1-CG 3.72Å
493L93.4Very high92.3Very high13 Ų1359 Ų597%0.06831%0.306CS..Hα-helixtrans-60-37.4177.6-66.1-179.6000112.1M483 V484 L488 P489 I496 W497 I520M483-L493 HydrophobicContact CB-CD2 4.12Å; M483-L493 HydrophobicContact CE-CD2 4.29Å; V484-L493 HydrophobicContact CG2-CD1 3.95Å; L488-L493 HydrophobicContact CB-CD2 3.8Å; L488-L493 HydrophobicContact CB-CG 4.02Å; L488-L493 HydrophobicContact CD1-CD2 4.16Å; P489-L493 PolarHBondContact O-N 2.87Å; L493-I496 PolarHBondContact O-N 2.9Å; L493-W497 WeakPolarHBondContact O-CB 3.44Å; L493-W497 PolarHBondContact O-N 3.32Å; L493-I520 HydrophobicContact CD2-CD1 4.46Å; L493-I520 HydrophobicContact CD2-CG1 4.45Å
494S91.9Very high92.1Very high60 Ų6067 Ų6742%0.4234%0.34SS..Hα-helixtrans-65-38.1174-178.30000112.4N490 V492 K498N490-S494 VanDerWaalsContact O-CB 3.26Å; N490-S494 WeakPolarHBondContact O-CB 3.21Å; N490-S494 PolarHBondContact O-N 3.32Å; V492-S494 VanDerWaalsContact C-N 3.26Å; V492-S494 PolarHBondContact O-N 3.47Å; S494-K498 WeakPolarHBondContact O-CG 3.43Å; S494-K498 PolarHBondContact O-N 2.92Å
495K91.9Very high91.9Very high77 Ų7766.9 Ų66.934%0.33534%0.337SS..Hα-helixtrans-66.2-45.1174.6-169.2175.4-178.3-1730111.1S491 V492 W497 K498 L499 M529 P530S491-K495 PolarHBondContact O-N 3.4Å; V492-K495 WeakPolarHBondContact O-CA 3.27Å; V492-K495 WeakPolarHBondContact O-CB 3.43Å; V492-K495 PolarHBondContact O-N 2.88Å; K495-W497 PolarHBondContact O-N 2.71Å; K495-K498 PolarHBondContact O-N 3.45Å; K495-L499 HydrophobicContact CG-CD1 4.35Å; K495-L499 WeakPolarHBondContact O-CG 3.22Å; K495-L499 PolarHBondContact O-N 3.2Å; K495-L499 VanDerWaalsContact O-N 3.13Å; K495-M529 HydrophobicContact CD-CB 3.95Å; K495-M529 PolarHBondContact NZ-O 3.08Å; K495-P530 WeakPolarHBondContact CE-O 3.4Å; K495-P530 PolarHBondContact NZ-O 3.48Å
496I93.9Very high91.9Very high0 Ų061.4 Ų61.40%032%0.323CS..Hα-helixtrans-60.7-44.8176.9-67170.7000110.8M483 L488 V492 L493 K498 L499 S500 A516 L519 I520 M529M483-I496 HydrophobicContact CE-CB 4.04Å; M483-I496 HydrophobicContact CE-CG2 3.63Å; L488-I496 HydrophobicContact CD1-CD1 4.11Å; V492-I496 HydrophobicContact CG1-CD1 3.92Å; V492-I496 HydrophobicContact CG1-CG1 4.48Å; V492-I496 WeakPolarHBondContact O-CG1 3.41Å; V492-I496 PolarHBondContact O-N 2.88Å; L493-I496 PolarHBondContact O-N 2.9Å; I496-K498 PolarHBondContact O-N 3.06Å; I496-L499 PolarHBondContact O-N 3.27Å; I496-L499 VanDerWaalsContact O-N 3.16Å; I496-S500 WeakPolarHBondContact O-CB 3.4Å; I496-S500 PolarHBondContact O-N 3.43Å; I496-S500 PolarHBondContact O-OG 3.06Å; I496-A516 HydrophobicContact CG2-CB 4.41Å; I496-L519 HydrophobicContact CG1-CB 4.25Å; I496-L519 HydrophobicContact CG2-CB 3.86Å; I496-L519 HydrophobicContact CG2-CD1 4.21Å; I496-I520 HydrophobicContact CD1-CG1 3.82Å; I496-I520 HydrophobicContact CG2-CG1 4.35Å; I496-M529 HydrophobicContact CD1-SD 4.25Å; I496-M529 HydrophobicContact CG1-CG 4.37Å; I496-M529 HydrophobicContact CG1-SD 3.89Å
497W94.6Very high92.1Very high53 Ų5364.1 Ų64.120%0.20133%0.334CS..Hα-helixtrans-54.1-52.1175.2176.9-84.7000111.6A479 M483 L493 K495 L499 S500 D501 G506 L508A479-W497 HydrophobicContact CB-CE3 4.43Å; A479-W497 HydrophobicContact CB-CH2 4.28Å; A479-W497 HydrophobicContact CB-CZ3 3.52Å; M483-W497 HydrophobicContact SD-CE3 4.13Å; L493-W497 WeakPolarHBondContact O-CB 3.44Å; L493-W497 PolarHBondContact O-N 3.32Å; K495-W497 PolarHBondContact O-N 2.71Å; W497-L499 PolarHBondContact O-N 2.9Å; W497-S500 PolarHBondContact O-N 3.32Å; W497-D501 HydrophobicContact CZ2-CB 4.43Å; W497-D501 PolarHBondContact NE1-OD2 3.04Å; W497-D501 WeakPolarHBondContact O-CB 3.49Å; W497-D501 PolarHBondContact O-N 2.89Å; W497-G506 WeakPolarHBondContact CZ2-O 3.24Å; W497-L508 HydrophobicContact CE3-CD1 4.12Å; W497-L508 HydrophobicContact CE3-CD2 4.5Å; W497-L508 HydrophobicContact CE3-CG 4.41Å; W497-L508 HydrophobicContact CH2-CD1 4.26Å; W497-L508 HydrophobicContact CH2-CD2 4.16Å; W497-L508 HydrophobicContact CH2-CG 3.79Å; W497-L508 HydrophobicContact CZ3-CD1 3.54Å; W497-L508 HydrophobicContact CZ3-CD2 4.05Å; W497-L508 HydrophobicContact CZ3-CG 3.6Å
498K93.1Very high92.1Very high154 Ų15454.9 Ų54.967%0.6729%0.294SS*.Hα-helixtrans-60.8-29180-73.1178.5179.6-176.40113.8S494 K495 I496S494-K498 WeakPolarHBondContact O-CG 3.43Å; S494-K498 PolarHBondContact O-N 2.92Å; K495-K498 PolarHBondContact O-N 3.45Å; I496-K498 PolarHBondContact O-N 3.06Å
499L92.9Very high92.3Very high13 Ų1354.9 Ų54.97%0.06829%0.294CS..Hα-helixtrans-82.1-26176.5-68.7170.7000112.4K495 I496 W497 L519 P530 L533K495-L499 HydrophobicContact CG-CD1 4.35Å; K495-L499 WeakPolarHBondContact O-CG 3.22Å; K495-L499 PolarHBondContact O-N 3.2Å; K495-L499 VanDerWaalsContact O-N 3.13Å; I496-L499 PolarHBondContact O-N 3.27Å; I496-L499 VanDerWaalsContact O-N 3.16Å; W497-L499 PolarHBondContact O-N 2.9Å; L499-L519 HydrophobicContact CB-CD1 3.83Å; L499-L519 HydrophobicContact CD1-CD1 4.35Å; L499-P530 HydrophobicContact CD1-CG 4.02Å; L499-L533 HydrophobicContact CB-CD1 4.4Å; L499-L533 HydrophobicContact CD2-CB 4.1Å
500S93.5Very high92.5Very high0 Ų052.4 Ų52.40%028%0.278CS..Hα-helixtrans-94-35.2-173.7-48.80000113.3I496 W497 V502 E512 A516I496-S500 WeakPolarHBondContact O-CB 3.4Å; I496-S500 PolarHBondContact O-N 3.43Å; I496-S500 PolarHBondContact O-OG 3.06Å; W497-S500 PolarHBondContact O-N 3.32Å; S500-V502 PolarHBondContact O-N 3.22Å; S500-E512 VanDerWaalsContact O-CB 3.27Å; S500-E512 WeakPolarHBondContact O-CB 3.44Å; S500-E512 WeakPolarHBondContact O-CG 3.26Å; S500-A516 VanDerWaalsContact OG-CA 3.22Å; S500-A516 WeakPolarHBondContact OG-CA 3.27Å; S500-A516 WeakPolarHBondContact OG-CB 3.21Å
501D93Very high92.6Very high15 Ų1547.9 Ų47.98%0.0825%0.254CS..  trans-75.874.2172.6-179.79.6000108.8W497 K504 D505 G506 L508W497-D501 HydrophobicContact CZ2-CB 4.43Å; W497-D501 PolarHBondContact NE1-OD2 3.04Å; W497-D501 WeakPolarHBondContact O-CB 3.49Å; W497-D501 PolarHBondContact O-N 2.89Å; D501-K504 PolarHBondContact O-N 3.5Å; D501-K504 WeakPolarHBondContact OD1-CA 3.34Å; D501-K504 PolarHBondContact OD1-N 2.89Å; D501-D505 PolarHBondContact OD1-N 3.46Å; D501-D505 VanDerWaalsContact OD1-N 3.08Å; D501-G506 WeakPolarHBondContact OD2-CA 3.35Å; D501-G506 PolarHBondContact OD2-N 2.62Å; D501-L508 HydrophobicContact CB-CD2 4.05Å
502V90Very high92.8Very high21 Ų2143.6 Ų43.613%0.12722%0.224CC..SBendtrans-70.4-39.2-168.5177.80000110.9S500 K504 E512 L515 L533 L538 K542 L546S500-V502 PolarHBondContact O-N 3.22Å; V502-K504 VanDerWaalsContact C-N 3.32Å; V502-E512 PolarHBondContact N-OE1 3.1Å; V502-L515 HydrophobicContact CG2-CD2 4.15Å; V502-L533 HydrophobicContact CG2-CD2 4.14Å; V502-L538 HydrophobicContact CG1-CD2 3.77Å; V502-L538 HydrophobicContact CG2-CD2 4.4Å; V502-K542 HydrophobicContact CB-CB 4.3Å; V502-K542 HydrophobicContact CB-CG 4.22Å; V502-K542 HydrophobicContact CG1-CB 3.78Å; V502-K542 HydrophobicContact CG1-CG 4.25Å; V502-L546 HydrophobicContact CG1-CD1 4.22Å
503D90.4Very high93.1Very high56 Ų5642.5 Ų42.530%0.29922%0.217SC..SBendtrans-84.4-5176.368.210.4000113.9K473 D505 E512 K542K473-D503 IonicContact NZ-OD2 2.68Å; K473-D503 PolarHBondContact NZ-OD2 3.21Å; D503-D505 VanDerWaalsContact C-N 3.29Å; D503-D505 PolarHBondContact O-N 3.38Å; D503-D505 PolarHBondContact OD1-N 3.41Å; D503-E512 PolarHBondContact N-OE1 3.04Å; D503-K542 HydrophobicContact CB-CD 4.28Å; D503-K542 IonicContact OD1-NZ 3.31Å; D503-K542 IonicContact OD2-NZ 2.53Å; D503-K542 PolarHBondContact OD2-NZ 3.2Å
504K90.2Very high93.1Very high177 Ų17741.9 Ų41.977%0.7721%0.214SC*.  trans61.633173.7-57.4177.9-178.6170.50113.2D501 V502 G506D501-K504 PolarHBondContact O-N 3.5Å; D501-K504 WeakPolarHBondContact OD1-CA 3.34Å; D501-K504 PolarHBondContact OD1-N 2.89Å; V502-K504 VanDerWaalsContact C-N 3.32Å; K504-G506 VanDerWaalsContact C-N 3.33Å
505D91.2Very high93.2Very high65 Ų6539 Ų3935%0.34819%0.194SC..SBendtrans-87.2-5.7179.482.9-10.3000113.4K473 D501 D503 M507K473-D505 IonicContact NZ-OD2 2.98Å; K473-D505 PolarHBondContact NZ-OD2 3.3Å; D501-D505 PolarHBondContact OD1-N 3.46Å; D501-D505 VanDerWaalsContact OD1-N 3.08Å; D503-D505 VanDerWaalsContact C-N 3.29Å; D503-D505 PolarHBondContact O-N 3.38Å; D503-D505 PolarHBondContact OD1-N 3.41Å; D505-M507 VanDerWaalsContact C-N 3.29Å; D505-M507 WeakPolarHBondContact OD1-CA 3.3Å; D505-M507 WeakPolarHBondContact OD1-CB 3.47Å; D505-M507 PolarHBondContact OD1-N 3.03Å
506G92.5Very high93.3Very high34 Ų3435.4 Ų35.435%0.35118%0.178SC..SBendtrans79.99179.500000114.2G476 W497 D501 K504G476-G506 PolarHBondContact N-O 3.08Å; W497-G506 WeakPolarHBondContact CZ2-O 3.24Å; D501-G506 WeakPolarHBondContact OD2-CA 3.35Å; D501-G506 PolarHBondContact OD2-N 2.62Å; K504-G506 VanDerWaalsContact C-N 3.33Å
507M95.2Very high93.4Very high83 Ų8336 Ų3641%0.40918%0.181SC..EExtended strand (participates in β ladder)trans-122.6170.6173.9-53.7-168.1-160.500108.7K473 I474 D505K473-M507 HydrophobicContact CB-CB 4.2Å; K473-M507 HydrophobicContact CB-SD 4.49Å; K473-M507 HydrophobicContact CD-CB 4.17Å; I474-M507 WeakPolarHBondContact O-CA 3.48Å; I474-M507 WeakPolarHBondContact O-CB 3.1Å; D505-M507 VanDerWaalsContact C-N 3.29Å; D505-M507 WeakPolarHBondContact OD1-CA 3.3Å; D505-M507 WeakPolarHBondContact OD1-CB 3.47Å; D505-M507 PolarHBondContact OD1-N 3.03Å
508L94.7Very high93.3Very high0 Ų034.3 Ų34.30%018%0.175CC..EExtended strand (participates in β ladder)trans-125.3126.3171.5-59.5176.4000108.7K473 I474 A479 W497 D501 E512 F513 A516K473-L508 WeakPolarHBondContact CA-O 3.39Å; I474-L508 HydrophobicContact CG1-CB 4.05Å; I474-L508 PolarHBondContact N-O 2.65Å; I474-L508 PolarHBondContact O-N 3.33Å; A479-L508 HydrophobicContact CB-CD1 3.88Å; W497-L508 HydrophobicContact CE3-CD1 4.12Å; W497-L508 HydrophobicContact CE3-CD2 4.5Å; W497-L508 HydrophobicContact CE3-CG 4.41Å; W497-L508 HydrophobicContact CH2-CD1 4.26Å; W497-L508 HydrophobicContact CH2-CD2 4.16Å; W497-L508 HydrophobicContact CH2-CG 3.79Å; W497-L508 HydrophobicContact CZ3-CD1 3.54Å; W497-L508 HydrophobicContact CZ3-CD2 4.05Å; W497-L508 HydrophobicContact CZ3-CG 3.6Å; D501-L508 HydrophobicContact CB-CD2 4.05Å; L508-E512 HydrophobicContact CB-CB 4.12Å; L508-E512 HydrophobicContact CD2-CB 3.81Å; L508-F513 HydrophobicContact CB-CB 4.42Å; L508-F513 HydrophobicContact CD1-CD2 4.49Å; L508-A516 HydrophobicContact CD1-CB 4.32Å
509D94.8Very high93.3Very high26 Ų2627 Ų2714%0.13914%0.143CC..EExtended strand (participates in β ladder)trans-76.3-179162.768.339.3000111.5K473 D511 E512 F513 K542K473-D509 HydrophobicContact CG-CB 4.11Å; D509-D511 VanDerWaalsContact C-N 3.31Å; D509-D511 PolarHBondContact O-N 2.86Å; D509-D511 WeakPolarHBondContact OD1-CA 3.49Å; D509-D511 WeakPolarHBondContact OD1-CB 3.42Å; D509-D511 PolarHBondContact OD1-N 3.26Å; D509-E512 PolarHBondContact N-OE2 3.22Å; D509-E512 VanDerWaalsContact N-OE2 3.07Å; D509-E512 PolarHBondContact O-N 2.62Å; D509-E512 WeakPolarHBondContact OD1-CG 3.44Å; D509-E512 PolarHBondContact OD1-N 2.75Å; D509-F513 VanDerWaalsContact O-CB 3.23Å; D509-F513 WeakPolarHBondContact O-CB 2.95Å; D509-F513 PolarHBondContact O-N 3.31Å; D509-K542 WeakPolarHBondContact OD2-CE 3.29Å; D509-K542 IonicContact OD2-NZ 2.81Å; D509-K542 PolarHBondContact OD2-NZ 3.27Å
510S93.5Very high93.4Very high22 Ų2226.7 Ų26.715%0.15414%0.142CC..Hα-helixtrans-63-34.3-178.6172.90000113.2R457 D461 A514R457-S510 PolarHBondContact NH2-OG 3.07Å; D461-S510 PolarHBondContact OD1-OG 2.91Å; S510-A514 WeakPolarHBondContact O-CB 3.44Å; S510-A514 PolarHBondContact O-N 2.77Å; S510-A514 VanDerWaalsContact O-N 3.09Å
511D93.7Very high93.3Very high21 Ų2129.5 Ų29.511%0.11216%0.157CC..Hα-helixtrans-72.8-44.7178-71.2-20.3000110.7W451 R457 D509 F513 A514 L515 P539 S541W451-D511 HydrophobicContact CH2-CB 3.96Å; W451-D511 WeakPolarHBondContact CH2-O 3.22Å; W451-D511 HydrophobicContact CZ3-CB 4.37Å; R457-D511 IonicContact CZ-OD1 3.11Å; R457-D511 IonicContact NE-OD1 3.61Å; R457-D511 IonicContact NH1-OD1 3Å; R457-D511 PolarHBondContact NH1-OD1 3.13Å; R457-D511 IonicContact NH2-OD1 3.48Å; R457-D511 PolarHBondContact NH2-OD1 3.22Å; D509-D511 VanDerWaalsContact C-N 3.31Å; D509-D511 PolarHBondContact O-N 2.86Å; D509-D511 WeakPolarHBondContact OD1-CA 3.49Å; D509-D511 WeakPolarHBondContact OD1-CB 3.42Å; D509-D511 PolarHBondContact OD1-N 3.26Å; D511-F513 VanDerWaalsContact C-N 3.33Å; D511-F513 PolarHBondContact O-N 3.41Å; D511-A514 PolarHBondContact O-N 3.42Å; D511-L515 WeakPolarHBondContact O-CB 3.42Å; D511-L515 PolarHBondContact O-N 3.09Å; D511-P539 HydrophobicContact CB-CB 3.82Å; D511-P539 HydrophobicContact CB-CG 4.15Å; D511-S541 WeakPolarHBondContact OD2-CB 3.36Å; D511-S541 PolarHBondContact OD2-OG 3.12Å
512E95.1Very high93.1Very high0 Ų029.4 Ų29.40%016%0.156CC..Hα-helixtrans-66.9-35.7178.8-67174.1147.600111.8S500 V502 D503 L508 D509 L515 A516 K542S500-E512 VanDerWaalsContact O-CB 3.27Å; S500-E512 WeakPolarHBondContact O-CB 3.44Å; S500-E512 WeakPolarHBondContact O-CG 3.26Å; V502-E512 PolarHBondContact N-OE1 3.1Å; D503-E512 PolarHBondContact N-OE1 3.04Å; L508-E512 HydrophobicContact CB-CB 4.12Å; L508-E512 HydrophobicContact CD2-CB 3.81Å; D509-E512 PolarHBondContact N-OE2 3.22Å; D509-E512 VanDerWaalsContact N-OE2 3.07Å; D509-E512 PolarHBondContact O-N 2.62Å; D509-E512 WeakPolarHBondContact OD1-CG 3.44Å; D509-E512 PolarHBondContact OD1-N 2.75Å; E512-L515 PolarHBondContact O-N 3.49Å; E512-A516 WeakPolarHBondContact O-CB 3.45Å; E512-A516 PolarHBondContact O-N 2.85Å; E512-K542 WeakPolarHBondContact OE1-CE 3.37Å; E512-K542 IonicContact OE1-NZ 2.67Å; E512-K542 PolarHBondContact OE1-NZ 3.31Å; E512-K542 IonicContact OE2-NZ 2.96Å; E512-K542 PolarHBondContact OE2-NZ 3.48Å
513F95.2Very high93Very high3 Ų331.2 Ų31.21%0.01316%0.162CC..Hα-helixtrans-65.8-42.5172-177-104.2000111.9W460 T463 F464 L467 I474 H482 L508 D509 D511 L515 A516 N517W460-F513 HydrophobicContact CB-CD1 4.28Å; W460-F513 HydrophobicContact CB-CE1 4.11Å; T463-F513 HydrophobicContact CG2-CE1 4.32Å; T463-F513 HydrophobicContact CG2-CZ 4.1Å; F464-F513 HydrophobicContact CB-CD1 3.73Å; F464-F513 HydrophobicContact CB-CE1 3.9Å; F464-F513 HydrophobicContact CD2-CB 3.64Å; F464-F513 AromaticContact CD2-CD1 3.68Å; F464-F513 HydrophobicContact CD2-CD1 3.68Å; F464-F513 HydrophobicContact CD2-CD2 4.32Å; F464-F513 HydrophobicContact CD2-CE1 4.38Å; F464-F513 AromaticContact CD2-CG 3.62Å; F464-F513 HydrophobicContact CD2-CG 3.62Å; F464-F513 HydrophobicContact CE2-CB 3.98Å; F464-F513 HydrophobicContact CE2-CG 4.36Å; F464-F513 HydrophobicContact CG-CD1 4.16Å; L467-F513 HydrophobicContact CD1-CE2 3.62Å; L467-F513 HydrophobicContact CD1-CZ 3.57Å; I474-F513 HydrophobicContact CD1-CD2 3.49Å; I474-F513 VanDerWaalsContact CD1-CD2 3.49Å; I474-F513 HydrophobicContact CD1-CE2 3.8Å; I474-F513 HydrophobicContact CD1-CG 4.3Å; H482-F513 AromaticContact CD2-CE2 3.55Å; H482-F513 AromaticContact CD2-CZ 3.54Å; H482-F513 AromaticContact NE2-CZ 3.61Å; L508-F513 HydrophobicContact CB-CB 4.42Å; L508-F513 HydrophobicContact CD1-CD2 4.49Å; D509-F513 VanDerWaalsContact O-CB 3.23Å; D509-F513 WeakPolarHBondContact O-CB 2.95Å; D509-F513 PolarHBondContact O-N 3.31Å; D511-F513 VanDerWaalsContact C-N 3.33Å; D511-F513 PolarHBondContact O-N 3.41Å; F513-L515 VanDerWaalsContact C-N 3.33Å; F513-A516 PolarHBondContact O-N 3.43Å; F513-N517 WeakPolarHBondContact CD1-ND2 3.44Å; F513-N517 WeakPolarHBondContact CE1-ND2 3.28Å; F513-N517 VanDerWaalsContact CZ-ND2 3.28Å; F513-N517 WeakPolarHBondContact CZ-ND2 3.22Å; F513-N517 PolarHBondContact O-N 3.15Å; F513-N517 PolarHBondContact O-ND2 2.77Å
514A94.3Very high92.9Very high0 Ų033 Ų330%017%0.171CC..Hα-helixtrans-61.9-43174.100000111.2W451 V453 R457 W460 S510 D511 A516 N517 Y518W451-A514 HydrophobicContact CH2-CB 4.34Å; V453-A514 HydrophobicContact CG1-CB 3.99Å; R457-A514 HydrophobicContact CB-CB 4.32Å; R457-A514 HydrophobicContact CG-CB 3.97Å; W460-A514 HydrophobicContact CE3-CB 3.9Å; W460-A514 HydrophobicContact CZ3-CB 4.46Å; S510-A514 WeakPolarHBondContact O-CB 3.44Å; S510-A514 PolarHBondContact O-N 2.77Å; S510-A514 VanDerWaalsContact O-N 3.09Å; D511-A514 PolarHBondContact O-N 3.42Å; A514-A516 PolarHBondContact O-N 3.25Å; A514-N517 PolarHBondContact O-N 2.9Å; A514-Y518 WeakPolarHBondContact O-CB 3.44Å; A514-Y518 PolarHBondContact O-N 3Å
515L94Very high92.7Very high0 Ų030 Ų300%016%0.163CC..Hα-helixtrans-59.2-45.2174.4179.859.1000111.9W451 V453 V502 D511 E512 F513 N517 Y518 L519 L533 L537 P539W451-L515 HydrophobicContact CZ2-CB 4.28Å; V453-L515 HydrophobicContact CG2-CD1 4.02Å; V502-L515 HydrophobicContact CG2-CD2 4.15Å; D511-L515 WeakPolarHBondContact O-CB 3.42Å; D511-L515 PolarHBondContact O-N 3.09Å; E512-L515 PolarHBondContact O-N 3.49Å; F513-L515 VanDerWaalsContact C-N 3.33Å; L515-N517 VanDerWaalsContact C-N 3.35Å; L515-N517 PolarHBondContact O-N 3.01Å; L515-Y518 PolarHBondContact O-N 3.3Å; L515-L519 HydrophobicContact CD1-CD1 4.31Å; L515-L519 HydrophobicContact CD1-CG 4.21Å; L515-L519 HydrophobicContact CG-CD1 4.26Å; L515-L519 WeakPolarHBondContact O-CG 3.26Å; L515-L519 PolarHBondContact O-N 3.12Å; L515-L533 HydrophobicContact CD1-CD1 4.2Å; L515-L533 HydrophobicContact CD2-CD1 4.23Å; L515-L533 HydrophobicContact CD2-CD2 3.69Å; L515-L537 HydrophobicContact CD1-CB 4.36Å; L515-P539 HydrophobicContact CD2-CG 4.32Å
516A94.7Very high92.1Very high0 Ų029.2 Ų29.20%017%0.171CC..Hα-helixtrans-59.8-44.2177.900000112.2I496 S500 L508 E512 F513 A514 L519 I520I496-A516 HydrophobicContact CG2-CB 4.41Å; S500-A516 VanDerWaalsContact OG-CA 3.22Å; S500-A516 WeakPolarHBondContact OG-CA 3.27Å; S500-A516 WeakPolarHBondContact OG-CB 3.21Å; L508-A516 HydrophobicContact CD1-CB 4.32Å; E512-A516 WeakPolarHBondContact O-CB 3.45Å; E512-A516 PolarHBondContact O-N 2.85Å; F513-A516 PolarHBondContact O-N 3.43Å; A514-A516 PolarHBondContact O-N 3.25Å; A516-L519 PolarHBondContact O-N 2.83Å; A516-I520 VanDerWaalsContact O-CG1 3.27Å; A516-I520 WeakPolarHBondContact O-CG1 3.26Å; A516-I520 PolarHBondContact O-N 3.07Å
517N95.3Very high91.6Very high12 Ų1229.4 Ų29.46%0.06416%0.163CC..Hα-helixtrans-71-35.5178.3-71.5-85.1000112.2W460 H482 F513 A514 L515 I520 N521W460-N517 HydrophobicContact CD2-CB 3.68Å; W460-N517 VanDerWaalsContact CE2-CB 3.43Å; W460-N517 HydrophobicContact CE3-CB 4.45Å; W460-N517 HydrophobicContact CG-CB 3.76Å; W460-N517 HydrophobicContact CZ2-CB 4.01Å; W460-N517 VanDerWaalsContact NE1-CB 3.33Å; H482-N517 PolarHBondContact NE2-OD1 3.31Å; H482-N517 VanDerWaalsContact NE2-OD1 3.07Å; F513-N517 WeakPolarHBondContact CD1-ND2 3.44Å; F513-N517 WeakPolarHBondContact CE1-ND2 3.28Å; F513-N517 VanDerWaalsContact CZ-ND2 3.28Å; F513-N517 WeakPolarHBondContact CZ-ND2 3.22Å; F513-N517 PolarHBondContact O-N 3.15Å; F513-N517 PolarHBondContact O-ND2 2.77Å; A514-N517 PolarHBondContact O-N 2.9Å; L515-N517 VanDerWaalsContact C-N 3.35Å; L515-N517 PolarHBondContact O-N 3.01Å; N517-I520 WeakPolarHBondContact O-CB 3.23Å; N517-I520 PolarHBondContact O-N 3Å; N517-N521 PolarHBondContact O-N 3.24Å
518Y93Very high90.9Very high18 Ų1833.2 Ų33.27%0.07118%0.18CC..Hα-helixtrans-61-46.7172.9178.7-99.3000111.8V453 W460 A514 L515 I520 N521 L522 L537V453-Y518 HydrophobicContact CB-CG 4.44Å; V453-Y518 HydrophobicContact CG1-CG 4.31Å; V453-Y518 HydrophobicContact CG2-CD1 3.62Å; V453-Y518 HydrophobicContact CG2-CD2 4.25Å; V453-Y518 HydrophobicContact CG2-CE1 4.08Å; V453-Y518 HydrophobicContact CG2-CG 3.71Å; W460-Y518 HydrophobicContact CH2-CD2 4.29Å; A514-Y518 WeakPolarHBondContact O-CB 3.44Å; A514-Y518 PolarHBondContact O-N 3Å; L515-Y518 PolarHBondContact O-N 3.3Å; Y518-I520 VanDerWaalsContact C-N 3.32Å; Y518-I520 PolarHBondContact O-N 3.5Å; Y518-N521 PolarHBondContact O-N 3.49Å; Y518-L522 HydrophobicContact CD1-CD1 3.95Å; Y518-L522 HydrophobicContact CD1-CG 4.26Å; Y518-L522 HydrophobicContact CE1-CD1 3.41Å; Y518-L522 VanDerWaalsContact CE1-CD1 3.41Å; Y518-L522 HydrophobicContact CE1-CD2 4.47Å; Y518-L522 HydrophobicContact CE1-CG 3.9Å; Y518-L522 WeakPolarHBondContact O-CG 3.48Å; Y518-L522 PolarHBondContact O-N 3.41Å; Y518-L537 HydrophobicContact CD1-CD2 4.48Å; Y518-L537 HydrophobicContact CE1-CD1 4.36Å; Y518-L537 HydrophobicContact CE1-CD2 3.77Å
519L93Very high90.3Very high0 Ų034 Ų340%018%0.184CC..Hα-helixtrans-64.1-35.1175.6-68.5176.9000112.6I496 L499 L515 A516 L522 K523 M529 L533 L537I496-L519 HydrophobicContact CG1-CB 4.25Å; I496-L519 HydrophobicContact CG2-CB 3.86Å; I496-L519 HydrophobicContact CG2-CD1 4.21Å; L499-L519 HydrophobicContact CB-CD1 3.83Å; L499-L519 HydrophobicContact CD1-CD1 4.35Å; L515-L519 HydrophobicContact CD1-CD1 4.31Å; L515-L519 HydrophobicContact CD1-CG 4.21Å; L515-L519 HydrophobicContact CG-CD1 4.26Å; L515-L519 WeakPolarHBondContact O-CG 3.26Å; L515-L519 PolarHBondContact O-N 3.12Å; A516-L519 PolarHBondContact O-N 2.83Å; L519-L522 HydrophobicContact CD2-CD1 4.33Å; L519-K523 WeakPolarHBondContact O-CB 3.41Å; L519-K523 PolarHBondContact O-N 3.48Å; L519-M529 HydrophobicContact CB-SD 4.2Å; L519-M529 HydrophobicContact CD2-SD 4.39Å; L519-L533 HydrophobicContact CD1-CD1 4.42Å; L519-L537 HydrophobicContact CD2-CD1 4.35Å
520I93.8Very high89.6Confident7 Ų734 Ų344%0.03619%0.185CC..Hα-helixtrans-61.4-48.4171.7-74.8168.4000110.3M483 L488 L493 I496 A516 N517 Y518 K523 L524M483-I520 HydrophobicContact CB-CD1 4.15Å; M483-I520 HydrophobicContact CE-CD1 4.17Å; M483-I520 HydrophobicContact CG-CD1 3.92Å; L488-I520 HydrophobicContact CD1-CB 4.33Å; L488-I520 HydrophobicContact CD1-CG1 4.19Å; L488-I520 HydrophobicContact CD1-CG2 3.99Å; L493-I520 HydrophobicContact CD2-CD1 4.46Å; L493-I520 HydrophobicContact CD2-CG1 4.45Å; I496-I520 HydrophobicContact CD1-CG1 3.82Å; I496-I520 HydrophobicContact CG2-CG1 4.35Å; A516-I520 VanDerWaalsContact O-CG1 3.27Å; A516-I520 WeakPolarHBondContact O-CG1 3.26Å; A516-I520 PolarHBondContact O-N 3.07Å; N517-I520 WeakPolarHBondContact O-CB 3.23Å; N517-I520 PolarHBondContact O-N 3Å; Y518-I520 VanDerWaalsContact C-N 3.32Å; Y518-I520 PolarHBondContact O-N 3.5Å; I520-K523 PolarHBondContact O-N 3.48Å; I520-K523 VanDerWaalsContact O-N 3.13Å; I520-L524 HydrophobicContact CG2-CD1 3.79Å; I520-L524 HydrophobicContact CG2-CG 4.29Å; I520-L524 WeakPolarHBondContact O-CG 3.38Å; I520-L524 PolarHBondContact O-N 2.53Å
521N92.3Very high89Confident60 Ų6039.2 Ų39.232%0.32122%0.216SC..Hα-helixtrans-61.9-46.8179.1-76.7-1.4000111.5N517 Y518 K523 L524 D525N517-N521 PolarHBondContact O-N 3.24Å; Y518-N521 PolarHBondContact O-N 3.49Å; N521-K523 PolarHBondContact O-N 2.68Å; N521-L524 CarbonylContact O-C 3.59Å; N521-L524 WeakPolarHBondContact O-CA 3.22Å; N521-L524 WeakPolarHBondContact O-CB 3.39Å; N521-L524 PolarHBondContact O-N 2.77Å; N521-D525 WeakPolarHBondContact O-CB 3.35Å; N521-D525 VanDerWaalsContact O-CG 3.25Å; N521-D525 PolarHBondContact O-N 3.4Å
522L88.5Confident88.5Confident12 Ų1245.8 Ų45.86%0.06325%0.246CC..Hα-helixtrans-53.2-40.4173.5-75.6-173.7000112G441 V442 Y518 L519 D525 G526 H527 M529G441-L522 WeakPolarHBondContact O-CD2 3.42Å; V442-L522 HydrophobicContact CG2-CD1 3.98Å; Y518-L522 HydrophobicContact CD1-CD1 3.95Å; Y518-L522 HydrophobicContact CD1-CG 4.26Å; Y518-L522 HydrophobicContact CE1-CD1 3.41Å; Y518-L522 VanDerWaalsContact CE1-CD1 3.41Å; Y518-L522 HydrophobicContact CE1-CD2 4.47Å; Y518-L522 HydrophobicContact CE1-CG 3.9Å; Y518-L522 WeakPolarHBondContact O-CG 3.48Å; Y518-L522 PolarHBondContact O-N 3.41Å; L519-L522 HydrophobicContact CD2-CD1 4.33Å; L522-D525 PolarHBondContact O-N 2.82Å; L522-G526 PolarHBondContact O-N 3.26Å; L522-H527 VanDerWaalsContact O-CB 3.32Å; L522-H527 WeakPolarHBondContact O-CB 3.35Å; L522-H527 PolarHBondContact O-CD2 2.94Å; L522-H527 PolarHBondContact O-N 3.14Å; L522-M529 HydrophobicContact CB-CE 3.92Å
523K87.5Confident88Confident60 Ų6047.4 Ų47.426%0.26125%0.254SS..Hα-helixtrans-73-35.2178.5-168.150174.5171.60113.1L488 V492 L519 I520 N521 D525 G526 H527 M529L488-K523 HydrophobicContact CD1-CB 4.11Å; L488-K523 HydrophobicContact CD1-CG 4.17Å; L488-K523 HydrophobicContact CD2-CG 3.96Å; V492-K523 HydrophobicContact CG1-CD 4.45Å; V492-K523 HydrophobicContact CG1-CG 3.72Å; L519-K523 WeakPolarHBondContact O-CB 3.41Å; L519-K523 PolarHBondContact O-N 3.48Å; I520-K523 PolarHBondContact O-N 3.48Å; I520-K523 VanDerWaalsContact O-N 3.13Å; N521-K523 PolarHBondContact O-N 2.68Å; K523-D525 VanDerWaalsContact C-N 3.3Å; K523-G526 PolarHBondContact O-N 2.89Å; K523-H527 WeakPolarHBondContact CD-O 3.46Å; K523-H527 PolarHBondContact NZ-O 2.91Å; K523-M529 HydrophobicContact CB-CE 3.79Å; K523-M529 HydrophobicContact CB-SD 4.24Å; K523-M529 HydrophobicContact CD-CE 4.28Å; K523-M529 HydrophobicContact CD-CG 4.26Å
524L88.4Confident87.5Confident93 Ų9348.6 Ų48.649%0.48726%0.262SS..Hα-helixtrans-67-33.5174-71.5171.8000111.7L488 I520 N521 G526L488-L524 HydrophobicContact CD2-CD2 3.94Å; L488-L524 HydrophobicContact CD2-CG 4.49Å; L488-L524 HydrophobicContact CG-CD2 4.23Å; I520-L524 HydrophobicContact CG2-CD1 3.79Å; I520-L524 HydrophobicContact CG2-CG 4.29Å; I520-L524 WeakPolarHBondContact O-CG 3.38Å; I520-L524 PolarHBondContact O-N 2.53Å; N521-L524 CarbonylContact O-C 3.59Å; N521-L524 WeakPolarHBondContact O-CA 3.22Å; N521-L524 WeakPolarHBondContact O-CB 3.39Å; N521-L524 PolarHBondContact O-N 2.77Å; L524-G526 PolarHBondContact O-N 2.99Å
525D86.1Confident86.9Confident113 Ų11356.6 Ų56.660%0.60430%0.3SS*.THydrogen-bonded Turntrans-75.5-0.5174-63.8-22000112.8N521 L522 K523N521-D525 WeakPolarHBondContact O-CB 3.35Å; N521-D525 VanDerWaalsContact O-CG 3.25Å; N521-D525 PolarHBondContact O-N 3.4Å; L522-D525 PolarHBondContact O-N 2.82Å; K523-D525 VanDerWaalsContact C-N 3.3Å
526G78.9Confident86.4Confident50 Ų5057.7 Ų57.752%0.51531%0.305SS..THydrogen-bonded Turntrans93.24.4173.300000115.1L522 K523 L524L522-G526 PolarHBondContact O-N 3.26Å; K523-G526 PolarHBondContact O-N 2.89Å; L524-G526 PolarHBondContact O-N 2.99Å
527H82.1Confident86.1Confident37 Ų3757.7 Ų57.717%0.17131%0.305CS..PPolyproline II helixtrans-76.1149.2178.2-58.7-79.2000112.2G441 L522 K523G441-H527 VanDerWaalsContact CA-CG 3.45Å; G441-H527 WeakPolarHBondContact CA-ND1 3.39Å; L522-H527 VanDerWaalsContact O-CB 3.32Å; L522-H527 WeakPolarHBondContact O-CB 3.35Å; L522-H527 PolarHBondContact O-CD2 2.94Å; L522-H527 PolarHBondContact O-N 3.14Å; K523-H527 WeakPolarHBondContact CD-O 3.46Å; K523-H527 PolarHBondContact NZ-O 2.91Å
528E80Confident85.8Confident164 Ų16458.1 Ų58.177%0.76631%0.307SS*.PPolyproline II helixtrans-77.2148.1174-65.6-155.715200111.9V442V442-E528 VanDerWaalsContact CG2-O 3.26Å; V442-E528 WeakPolarHBondContact CG2-O 3.49Å
529M82.1Confident85.6Confident17 Ų1757.3 Ų57.38%0.08430%0.304CS..PPolyproline II helixtrans-85.4136.9177.2-64.8-65.994.400109.5V442 K495 I496 L519 L522 K523V442-M529 HydrophobicContact CG2-CE 4.43Å; K495-M529 HydrophobicContact CD-CB 3.95Å; K495-M529 PolarHBondContact NZ-O 3.08Å; I496-M529 HydrophobicContact CD1-SD 4.25Å; I496-M529 HydrophobicContact CG1-CG 4.37Å; I496-M529 HydrophobicContact CG1-SD 3.89Å; L519-M529 HydrophobicContact CB-SD 4.2Å; L519-M529 HydrophobicContact CD2-SD 4.39Å; L522-M529 HydrophobicContact CB-CE 3.92Å; K523-M529 HydrophobicContact CB-CE 3.79Å; K523-M529 HydrophobicContact CB-SD 4.24Å; K523-M529 HydrophobicContact CD-CE 4.28Å; K523-M529 HydrophobicContact CD-CG 4.26Å
530P80.3Confident85.2Confident25 Ų2560.5 Ų60.516%0.16233%0.325CS..PPolyproline II helixtrans-71.5162-176.936.4-36.8000110.6V442 K495 L499 E532V442-P530 HydrophobicContact CG1-CB 3.93Å; V442-P530 HydrophobicContact CG1-CG 3.73Å; V442-P530 HydrophobicContact CG2-CG 4.33Å; K495-P530 WeakPolarHBondContact CE-O 3.4Å; K495-P530 PolarHBondContact NZ-O 3.48Å; L499-P530 HydrophobicContact CD1-CG 4.02Å; P530-E532 VanDerWaalsContact CB-O 3.22Å; P530-E532 WeakPolarHBondContact CB-O 3.12Å; P530-E532 WeakPolarHBondContact CG-O 3.46Å
531V80.3Confident84.7Confident132 Ų13263 Ų6380%0.834%0.343SS*.SBendtrans-71.2-40.2174.5-178.70000110.4
532E83.7Confident84.2Confident159 Ų15960.8 Ų60.874%0.74333%0.33SS*.SBendtrans-127.2151.7178-64.3-178.4172.800109.2P530 P534P530-E532 VanDerWaalsContact CB-O 3.22Å; P530-E532 WeakPolarHBondContact CB-O 3.12Å; P530-E532 WeakPolarHBondContact CG-O 3.46Å; E532-P534 VanDerWaalsContact O-CD 3.3Å; E532-P534 WeakPolarHBondContact O-CD 3.46Å
533L85.5Confident83.8Confident33 Ų3364.2 Ų64.217%0.17334%0.342CS..  trans-71.9121.7180-170.674.9000109.3L499 V502 L515 L519 L537 L538L499-L533 HydrophobicContact CB-CD1 4.4Å; L499-L533 HydrophobicContact CD2-CB 4.1Å; V502-L533 HydrophobicContact CG2-CD2 4.14Å; L515-L533 HydrophobicContact CD1-CD1 4.2Å; L515-L533 HydrophobicContact CD2-CD1 4.23Å; L515-L533 HydrophobicContact CD2-CD2 3.69Å; L519-L533 HydrophobicContact CD1-CD1 4.42Å; L533-L537 HydrophobicContact CD1-CB 3.89Å; L533-L537 HydrophobicContact CD1-CD1 4.24Å; L533-L537 HydrophobicContact CG-CB 4.11Å; L533-L538 HydrophobicContact CD2-CD2 3.73Å; L533-L538 HydrophobicContact CD2-CG 4.16Å
534P83.5Confident82.7Confident29 Ų2966.5 Ų66.519%0.18836%0.361CS..  trans-59.6150.1174.8-22.231.7000112.6V442 E532 H536 L537 L538V442-P534 HydrophobicContact CG1-CG 3.49Å; V442-P534 VanDerWaalsContact CG1-CG 3.49Å; E532-P534 VanDerWaalsContact O-CD 3.3Å; E532-P534 WeakPolarHBondContact O-CD 3.46Å; P534-H536 VanDerWaalsContact C-N 3.29Å; P534-H536 WeakPolarHBondContact CB-CE1 3.33Å; P534-H536 VanDerWaalsContact CB-ND1 3.31Å; P534-H536 WeakPolarHBondContact CB-ND1 3.49Å; P534-H536 PolarHBondContact O-N 3.3Å; P534-L537 HydrophobicContact CG-CD1 4.38Å; P534-L537 PolarHBondContact O-N 3.04Å; P534-L537 VanDerWaalsContact O-N 3.09Å; P534-L538 PolarHBondContact O-N 3.47Å
535E82.9Confident81Confident167 Ų16765.2 Ų65.278%0.7836%0.357SS*.G310 helixtrans-59.4-36.1-176.4-66.9-168169.400113.5L537 L538E535-L537 VanDerWaalsContact C-N 3.26Å; E535-L537 PolarHBondContact O-N 3.11Å; E535-L538 WeakPolarHBondContact O-CB 3.48Å; E535-L538 PolarHBondContact O-N 3.36Å
536H83.2Confident79.3Confident24 Ų2464 Ų6411%0.11135%0.35CS..G310 helixtrans-68.8-25.3-179.667.5-76.8000112.9V442 P534 R543V442-H536 PolarHBondContact O-CE1 3.02Å; V442-H536 PolarHBondContact O-NE2 3.29Å; P534-H536 VanDerWaalsContact C-N 3.29Å; P534-H536 WeakPolarHBondContact CB-CE1 3.33Å; P534-H536 VanDerWaalsContact CB-ND1 3.31Å; P534-H536 WeakPolarHBondContact CB-ND1 3.49Å; P534-H536 PolarHBondContact O-N 3.3Å; H536-R543 PolarHBondContact O-NH2 2.87Å
537L88.8Confident77.8Confident0 Ų070 Ų700%036%0.362CS..G310 helixtrans-85.1-7.5175.2-64.4-172.3000113.4V442 W451 V453 L515 Y518 L519 L533 P534 E535V442-L537 HydrophobicContact CG1-CD1 3.97Å; W451-L537 PolarHBondContact NE1-O 2.99Å; V453-L537 HydrophobicContact CG2-CD2 4.26Å; L515-L537 HydrophobicContact CD1-CB 4.36Å; Y518-L537 HydrophobicContact CD1-CD2 4.48Å; Y518-L537 HydrophobicContact CE1-CD1 4.36Å; Y518-L537 HydrophobicContact CE1-CD2 3.77Å; L519-L537 HydrophobicContact CD2-CD1 4.35Å; L533-L537 HydrophobicContact CD1-CB 3.89Å; L533-L537 HydrophobicContact CD1-CD1 4.24Å; L533-L537 HydrophobicContact CG-CB 4.11Å; P534-L537 HydrophobicContact CG-CD1 4.38Å; P534-L537 PolarHBondContact O-N 3.04Å; P534-L537 VanDerWaalsContact O-N 3.09Å; E535-L537 VanDerWaalsContact C-N 3.26Å; E535-L537 PolarHBondContact O-N 3.11Å
538L88.8Confident76Confident21 Ų2173.8 Ų73.811%0.1139%0.388CS..SBendtrans-65.3128.2174.4-76.4167.1000110.9V502 L533 P534 E535 R543 L546V502-L538 HydrophobicContact CG1-CD2 3.77Å; V502-L538 HydrophobicContact CG2-CD2 4.4Å; L533-L538 HydrophobicContact CD2-CD2 3.73Å; L533-L538 HydrophobicContact CD2-CG 4.16Å; P534-L538 PolarHBondContact O-N 3.47Å; E535-L538 WeakPolarHBondContact O-CB 3.48Å; E535-L538 PolarHBondContact O-N 3.36Å; L538-R543 HydrophobicContact CB-CG 3.85Å; L538-R543 PolarHBondContact O-NE 3.12Å; L538-R543 PolarHBondContact O-NH2 3.14Å; L538-L546 HydrophobicContact CD1-CD1 3.69Å; L538-L546 HydrophobicContact CD2-CD1 3.51Å; L538-L546 HydrophobicContact CG-CD1 4.29Å
539P88.1Confident74.1Confident0 Ų072.2 Ų72.20%039%0.389CS..  trans-53.8135.5170.6-25.934.5000111.3W451 D511 L515 S541 K542 R543W451-P539 HydrophobicContact CH2-CB 4.38Å; W451-P539 HydrophobicContact CH2-CG 4.36Å; W451-P539 HydrophobicContact CZ2-CB 4.07Å; W451-P539 HydrophobicContact CZ2-CG 3.78Å; D511-P539 HydrophobicContact CB-CB 3.82Å; D511-P539 HydrophobicContact CB-CG 4.15Å; L515-P539 HydrophobicContact CD2-CG 4.32Å; P539-S541 PolarHBondContact O-N 3.31Å; P539-S541 VanDerWaalsContact O-N 3.13Å; P539-K542 HydrophobicContact CB-CB 4.35Å; P539-K542 HydrophobicContact CB-CG 4.01Å; P539-K542 HydrophobicContact CG-CG 4.21Å; P539-K542 PolarHBondContact O-N 3.1Å; P539-R543 WeakPolarHBondContact O-CG 3.43Å; P539-R543 PolarHBondContact O-N 2.99Å; P539-R543 VanDerWaalsContact O-N 3.16Å
540P85Confident72Confident68 Ų6879.1 Ų79.144%0.44244%0.439SS..THydrogen-bonded Turntrans-53.3-36.5179.3-27.735000113.4W451 K542 R543W451-P540 HydrophobicContact CB-CG 3.81Å; W451-P540 HydrophobicContact CG-CG 4.29Å; P540-K542 VanDerWaalsContact C-N 3.26Å; P540-K542 PolarHBondContact O-N 3.48Å; P540-R543 PolarHBondContact O-N 2.81Å
541S82.7Confident71.5Confident60 Ų6081.9 Ų81.942%0.4245%0.453SS..THydrogen-bonded Turntrans-61.7-28.1176.2530000113.7D511 P539D511-S541 WeakPolarHBondContact OD2-CB 3.36Å; D511-S541 PolarHBondContact OD2-OG 3.12Å; P539-S541 PolarHBondContact O-N 3.31Å; P539-S541 VanDerWaalsContact O-N 3.13Å
542K82.9Confident71.1Confident12 Ų1279.2 Ų79.25%0.05244%0.435CS..THydrogen-bonded Turntrans-102.1-11.7-176.5-53.3-73.2170.7141.60113.6V502 D503 D509 E512 P539 P540 V544 T545V502-K542 HydrophobicContact CB-CB 4.3Å; V502-K542 HydrophobicContact CB-CG 4.22Å; V502-K542 HydrophobicContact CG1-CB 3.78Å; V502-K542 HydrophobicContact CG1-CG 4.25Å; D503-K542 HydrophobicContact CB-CD 4.28Å; D503-K542 IonicContact OD1-NZ 3.31Å; D503-K542 IonicContact OD2-NZ 2.53Å; D503-K542 PolarHBondContact OD2-NZ 3.2Å; D509-K542 WeakPolarHBondContact OD2-CE 3.29Å; D509-K542 IonicContact OD2-NZ 2.81Å; D509-K542 PolarHBondContact OD2-NZ 3.27Å; E512-K542 WeakPolarHBondContact OE1-CE 3.37Å; E512-K542 IonicContact OE1-NZ 2.67Å; E512-K542 PolarHBondContact OE1-NZ 3.31Å; E512-K542 IonicContact OE2-NZ 2.96Å; E512-K542 PolarHBondContact OE2-NZ 3.48Å; P539-K542 HydrophobicContact CB-CB 4.35Å; P539-K542 HydrophobicContact CB-CG 4.01Å; P539-K542 HydrophobicContact CG-CG 4.21Å; P539-K542 PolarHBondContact O-N 3.1Å; P540-K542 VanDerWaalsContact C-N 3.26Å; P540-K542 PolarHBondContact O-N 3.48Å; K542-V544 PolarHBondContact O-N 3.35Å; K542-T545 PolarHBondContact O-N 3.04Å
543R79.2Confident70.4Confident85 Ų8574.8 Ų74.832%0.32142%0.418SS..THydrogen-bonded Turntrans-60.2-25.2178-70.8178.3-170.3-172.8-5.5113.2H536 L538 P539 P540H536-R543 PolarHBondContact O-NH2 2.87Å; L538-R543 HydrophobicContact CB-CG 3.85Å; L538-R543 PolarHBondContact O-NE 3.12Å; L538-R543 PolarHBondContact O-NH2 3.14Å; P539-R543 WeakPolarHBondContact O-CG 3.43Å; P539-R543 PolarHBondContact O-N 2.99Å; P539-R543 VanDerWaalsContact O-N 3.16Å; P540-R543 PolarHBondContact O-N 2.81Å
544V64.4Low69.5Low107 Ų10777.2 Ų77.265%0.64843%0.432SS*.THydrogen-bonded Turntrans-83.6-37.9177.5-176.60000111.5K542 L546 K547 T548K542-V544 PolarHBondContact O-N 3.35Å; V544-L546 VanDerWaalsContact C-N 3.28Å; V544-L546 PolarHBondContact O-N 3.34Å; V544-K547 PolarHBondContact O-N 3.22Å; V544-K547 VanDerWaalsContact O-N 3.15Å; V544-T548 PolarHBondContact O-OG1 3.31Å
545T53.2Low68.6Low67 Ų6780.3 Ų80.341%0.41145%0.448SS..G310 helixtrans-63.2-31.1-176.2-450000113.1K542 K547K542-T545 PolarHBondContact O-N 3.04Å; T545-K547 VanDerWaalsContact C-N 3.35Å; T545-K547 PolarHBondContact O-N 3.48Å
546L49.7Very low67.7Low88 Ų8874.5 Ų74.546%0.46143%0.425SS..G310 helixtrans-75.3-18.9178.2-71.8167.9000114.1V502 L538 V544V502-L546 HydrophobicContact CG1-CD1 4.22Å; L538-L546 HydrophobicContact CD1-CD1 3.69Å; L538-L546 HydrophobicContact CD2-CD1 3.51Å; L538-L546 HydrophobicContact CG-CD1 4.29Å; V544-L546 VanDerWaalsContact C-N 3.28Å; V544-L546 PolarHBondContact O-N 3.34Å
547K48.7Very low66.6Low176 Ų17678.1 Ų78.177%0.76545%0.448SS*.G310 helixtrans-83.7-13.1178.2-70.9-171178.8-176.60113.9V544 T545V544-K547 PolarHBondContact O-N 3.22Å; V544-K547 VanDerWaalsContact O-N 3.15Å; T545-K547 VanDerWaalsContact C-N 3.35Å; T545-K547 PolarHBondContact O-N 3.48Å
548T42.7Very low64.9Low116 Ų11684.1 Ų84.171%0.71248%0.482SS*.SBendtrans-105-0.8-179.319.30000114.2V544V544-T548 PolarHBondContact O-OG1 3.31Å
549V40.1Very low62.9Low130 Ų13089.3 Ų89.379%0.78851%0.513SS*.  trans-123.961.2171.8-163.60000109.7
550S37.6Very low60.6Low163 Ų16397.5 Ų97.5100%1.1456%0.56SS**  trans-143.50160.964.80000106.9

Retrieved 550 of 550 residues in 356.8 ms (Link to these results)

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