A0A077Z2F6_TRITR Loading...

Cwf15:Cwc15 cell cycle control protein

AlphaFold DB , UniProt , Accession A0A077Z2F6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 264 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
1M44.8Very low65.6Low245 Ų245150.3 Ų150.3100%1.20774%0.741SS**  091.70-82.9174157.900109.5
2A47.2Very low67.2Low102 Ų102150.3 Ų150.384%0.84373%0.728SS**  trans-106.7105.6171.500000108.6R4A2-R4 PolarHBondContact O-N 3.37Å
3R54.5Low68.6Low244 Ų244146 Ų14692%0.92171%0.71SS**  trans-63.3121.5178.2-66178.1-178.1-162.7-0.3108.5G5R3-G5 PolarHBondContact O-N 2.82Å
4R62.9Low69.7Low229 Ų229142.7 Ų142.786%0.86469%0.693SS**  trans-63.7102.9171.6-78.5176.4-168.2158.74.7108.4A2 Y6A2-R4 PolarHBondContact O-N 3.37Å; R4-Y6 PolarHBondContact O-N 2.96Å; R4-Y6 VanDerWaalsContact O-N 3.12Å
5G61.1Low70.9Confident75 Ų75138.7 Ų138.777%0.77368%0.675SS**  trans-65.5106.9170.300000109R3 S7R3-G5 PolarHBondContact O-N 2.82Å; G5-S7 PolarHBondContact O-N 3.03Å
6Y63.9Low71.9Confident177 Ų177135.5 Ų135.569%0.69466%0.661SS**  trans-65.1100.8167.9-79.9-85.7000108.1R4 H10R4-Y6 PolarHBondContact O-N 2.96Å; R4-Y6 VanDerWaalsContact O-N 3.12Å; Y6-H10 HydrophobicContact CD1-CB 4.27Å; Y6-H10 AromaticContact CD1-CE1 3.85Å; Y6-H10 AromaticContact CD1-CG 3.78Å; Y6-H10 AromaticContact CD1-ND1 3.51Å; Y6-H10 AromaticContact CE1-CE1 3.56Å; Y6-H10 AromaticContact CE1-ND1 3.72Å; Y6-H10 AromaticContact CE1-NE2 3.95Å
7S71.5Confident72.8Confident67 Ų67134.4 Ų134.447%0.46965%0.651SS.*  trans-53.8142.5170.9158.50000110.1G5 Q9 H10G5-S7 PolarHBondContact O-N 3.03Å; S7-Q9 PolarHBondContact O-N 3.42Å; S7-Q9 WeakPolarHBondContact OG-CB 3.27Å; S7-Q9 PolarHBondContact OG-N 3.17Å; S7-H10 WeakPolarHBondContact O-CB 3.39Å; S7-H10 PolarHBondContact O-N 3.35Å
8K76.3Confident73.5Confident165 Ų165133 Ų13372%0.71765%0.647SS**Hα-helixtrans-47.7-33.1173.7-69.2-176.8176.7-177.80112H10 M11 Y12K8-H10 VanDerWaalsContact C-N 3.34Å; K8-H10 PolarHBondContact O-N 3.39Å; K8-M11 WeakPolarHBondContact O-CB 3.48Å; K8-M11 PolarHBondContact O-N 2.9Å; K8-M11 VanDerWaalsContact O-N 3.17Å; K8-Y12 VanDerWaalsContact O-CD2 3.25Å; K8-Y12 WeakPolarHBondContact O-CD2 3.45Å; K8-Y12 PolarHBondContact O-N 3.36Å; K8-Y12 VanDerWaalsContact O-N 3.09Å
9Q77Confident74.2Confident147 Ų147131.6 Ų131.669%0.68764%0.642SS**Hα-helixtrans-59.2-40175.7-63.5-68.7-18.300112.9S7 M11 Y12 L13S7-Q9 PolarHBondContact O-N 3.42Å; S7-Q9 WeakPolarHBondContact OG-CB 3.27Å; S7-Q9 PolarHBondContact OG-N 3.17Å; Q9-M11 VanDerWaalsContact C-N 3.32Å; Q9-M11 PolarHBondContact O-N 2.98Å; Q9-Y12 PolarHBondContact O-N 3.12Å; Q9-L13 WeakPolarHBondContact O-CB 3.43Å; Q9-L13 PolarHBondContact O-N 2.92Å
10H80.7Confident74.6Confident81 Ų81129.6 Ų129.638%0.37563%0.634SS.*Hα-helixtrans-69.6-32.1178.2-168.9-72000111.7Y6 S7 K8 Q14Y6-H10 HydrophobicContact CD1-CB 4.27Å; Y6-H10 AromaticContact CD1-CE1 3.85Å; Y6-H10 AromaticContact CD1-CG 3.78Å; Y6-H10 AromaticContact CD1-ND1 3.51Å; Y6-H10 AromaticContact CE1-CE1 3.56Å; Y6-H10 AromaticContact CE1-ND1 3.72Å; Y6-H10 AromaticContact CE1-NE2 3.95Å; S7-H10 WeakPolarHBondContact O-CB 3.39Å; S7-H10 PolarHBondContact O-N 3.35Å; K8-H10 VanDerWaalsContact C-N 3.34Å; K8-H10 PolarHBondContact O-N 3.39Å; H10-Q14 PolarHBondContact CE1-NE2 3.16Å; H10-Q14 VanDerWaalsContact O-CG 3.23Å; H10-Q14 WeakPolarHBondContact O-CG 3.36Å; H10-Q14 PolarHBondContact O-N 3.39Å; H10-Q14 VanDerWaalsContact O-N 3.12Å
11M81.3Confident74.9Confident121 Ų121127.6 Ų127.660%0.59663%0.629SS**Hα-helixtrans-67.1-47.5174.4-167.6-161.7-56.700111.1K8 Q9 L13 Q14 I15K8-M11 WeakPolarHBondContact O-CB 3.48Å; K8-M11 PolarHBondContact O-N 2.9Å; K8-M11 VanDerWaalsContact O-N 3.17Å; Q9-M11 VanDerWaalsContact C-N 3.32Å; Q9-M11 PolarHBondContact O-N 2.98Å; M11-L13 VanDerWaalsContact C-N 3.33Å; M11-L13 PolarHBondContact O-N 2.96Å; M11-Q14 PolarHBondContact O-N 3.4Å; M11-I15 HydrophobicContact CG-CD1 4.21Å; M11-I15 WeakPolarHBondContact O-CG1 3.35Å; M11-I15 PolarHBondContact O-N 3Å
12Y85.3Confident76.6Confident150 Ų150119.7 Ų119.759%0.58859%0.591SS**Hα-helixtrans-59.3-42.7175.9-82.3-76000112.1K8 Q9 Q14 I15 I16K8-Y12 VanDerWaalsContact O-CD2 3.25Å; K8-Y12 WeakPolarHBondContact O-CD2 3.45Å; K8-Y12 PolarHBondContact O-N 3.36Å; K8-Y12 VanDerWaalsContact O-N 3.09Å; Q9-Y12 PolarHBondContact O-N 3.12Å; Y12-Q14 VanDerWaalsContact C-N 3.32Å; Y12-Q14 PolarHBondContact O-N 3.45Å; Y12-I15 PolarHBondContact O-N 3.45Å; Y12-I16 WeakPolarHBondContact O-CG1 3.4Å; Y12-I16 PolarHBondContact O-N 3.32Å
13L85.1Confident78Confident95 Ų95122.1 Ų122.150%0.49758%0.583SS.*Hα-helixtrans-65-35.6179-161.470.5000112.5Q9 M11 K17Q9-L13 WeakPolarHBondContact O-CB 3.43Å; Q9-L13 PolarHBondContact O-N 2.92Å; M11-L13 VanDerWaalsContact C-N 3.33Å; M11-L13 PolarHBondContact O-N 2.96Å; L13-K17 WeakPolarHBondContact O-CB 3.35Å; L13-K17 VanDerWaalsContact O-CG 3.3Å; L13-K17 WeakPolarHBondContact O-CG 3.5Å; L13-K17 PolarHBondContact O-N 2.99Å
14Q84.4Confident78.8Confident100 Ų100115.8 Ų115.847%0.46757%0.567SS.*Hα-helixtrans-67-40.8173.9-73.9-76.4-14.800111.8H10 M11 Y12 K17 L18H10-Q14 PolarHBondContact CE1-NE2 3.16Å; H10-Q14 VanDerWaalsContact O-CG 3.23Å; H10-Q14 WeakPolarHBondContact O-CG 3.36Å; H10-Q14 PolarHBondContact O-N 3.39Å; H10-Q14 VanDerWaalsContact O-N 3.12Å; M11-Q14 PolarHBondContact O-N 3.4Å; Y12-Q14 VanDerWaalsContact C-N 3.32Å; Y12-Q14 PolarHBondContact O-N 3.45Å; Q14-K17 PolarHBondContact O-N 2.91Å; Q14-L18 WeakPolarHBondContact O-CB 3.46Å; Q14-L18 PolarHBondContact O-N 3.4Å
15I87.3Confident78.9Confident82 Ų82112.5 Ų112.542%0.42156%0.559SS.*Hα-helixtrans-64.6-43.1176.5-66.1164.1000111M11 Y12 L18 L19M11-I15 HydrophobicContact CG-CD1 4.21Å; M11-I15 WeakPolarHBondContact O-CG1 3.35Å; M11-I15 PolarHBondContact O-N 3Å; Y12-I15 PolarHBondContact O-N 3.45Å; I15-L18 PolarHBondContact O-N 2.94Å; I15-L19 HydrophobicContact CG2-CD1 4.17Å; I15-L19 PolarHBondContact O-N 2.99Å
16I87.7Confident79Confident88 Ų88115.6 Ų115.645%0.45156%0.557SS.*Hα-helixtrans-63.9-43.5177.1-67.1165000110.7Y12 L18 L19 I20Y12-I16 WeakPolarHBondContact O-CG1 3.4Å; Y12-I16 PolarHBondContact O-N 3.32Å; I16-L18 VanDerWaalsContact C-N 3.32Å; I16-L18 PolarHBondContact O-N 2.9Å; I16-L19 PolarHBondContact O-N 2.94Å; I16-I20 HydrophobicContact CG2-CD1 3.78Å; I16-I20 HydrophobicContact CG2-CG1 4.38Å; I16-I20 VanDerWaalsContact O-CG1 3.31Å; I16-I20 WeakPolarHBondContact O-CG1 3.49Å; I16-I20 PolarHBondContact O-N 3.37Å
17K86.7Confident79.1Confident116 Ų116109.5 Ų109.550%0.50454%0.543SS..Hα-helixtrans-59.3-43.5174.7-76.7177.4177.5-175.90111.8L13 Q14 I20 V21L13-K17 WeakPolarHBondContact O-CB 3.35Å; L13-K17 VanDerWaalsContact O-CG 3.3Å; L13-K17 WeakPolarHBondContact O-CG 3.5Å; L13-K17 PolarHBondContact O-N 2.99Å; Q14-K17 PolarHBondContact O-N 2.91Å; K17-I20 PolarHBondContact O-N 3.43Å; K17-V21 VanDerWaalsContact O-CG2 3.3Å; K17-V21 WeakPolarHBondContact O-CG2 3.31Å; K17-V21 PolarHBondContact O-N 2.91Å
18L85.9Confident78.8Confident110 Ų110112.5 Ų112.558%0.57655%0.551SS**Hα-helixtrans-62.3-44176.3-175.465.8000111.6Q14 I15 I16 V21 I22Q14-L18 WeakPolarHBondContact O-CB 3.46Å; Q14-L18 PolarHBondContact O-N 3.4Å; I15-L18 PolarHBondContact O-N 2.94Å; I16-L18 VanDerWaalsContact C-N 3.32Å; I16-L18 PolarHBondContact O-N 2.9Å; L18-V21 PolarHBondContact O-N 3.33Å; L18-I22 HydrophobicContact CD1-CD1 4.34Å; L18-I22 HydrophobicContact CG-CD1 3.94Å; L18-I22 VanDerWaalsContact O-CG1 3.25Å; L18-I22 WeakPolarHBondContact O-CG1 3.27Å; L18-I22 PolarHBondContact O-N 3.42Å
19L85.6Confident78.5Confident106 Ų106110 Ų11056%0.55555%0.55SS**Hα-helixtrans-63.1-41.1176.7-84.8166000112.7I15 I16 I22 F23I15-L19 HydrophobicContact CG2-CD1 4.17Å; I15-L19 PolarHBondContact O-N 2.99Å; I16-L19 PolarHBondContact O-N 2.94Å; L19-I22 PolarHBondContact O-N 3Å; L19-F23 WeakPolarHBondContact O-CB 3.47Å; L19-F23 PolarHBondContact O-N 2.92Å
20I83.7Confident78.5Confident92 Ų92108.9 Ų108.947%0.47255%0.553SS.*Hα-helixtrans-63.8-43.4176.1-68.8165.9000110.5I16 K17 F23 L24I16-I20 HydrophobicContact CG2-CD1 3.78Å; I16-I20 HydrophobicContact CG2-CG1 4.38Å; I16-I20 VanDerWaalsContact O-CG1 3.31Å; I16-I20 WeakPolarHBondContact O-CG1 3.49Å; I16-I20 PolarHBondContact O-N 3.37Å; K17-I20 PolarHBondContact O-N 3.43Å; I20-F23 PolarHBondContact O-N 3.06Å; I20-L24 HydrophobicContact CG2-CD1 3.9Å; I20-L24 HydrophobicContact CG2-CG 4.4Å; I20-L24 WeakPolarHBondContact O-CB 3.29Å; I20-L24 WeakPolarHBondContact O-CG 3.33Å; I20-L24 PolarHBondContact O-N 3.48Å
21V80.8Confident78.6Confident88 Ų88108.7 Ų108.753%0.53357%0.565SS.*Hα-helixtrans-63.6-43.5177.4172.10000110.9K17 L18 L24 F25K17-V21 VanDerWaalsContact O-CG2 3.3Å; K17-V21 WeakPolarHBondContact O-CG2 3.31Å; K17-V21 PolarHBondContact O-N 2.91Å; L18-V21 PolarHBondContact O-N 3.33Å; V21-L24 PolarHBondContact O-N 3.02Å; V21-F25 WeakPolarHBondContact O-CB 3.5Å; V21-F25 PolarHBondContact O-N 3.5Å
22I80.3Confident78.9Confident79 Ų79111.5 Ų111.541%0.40558%0.577SS.*Hα-helixtrans-61-46.6175.4-69.7167.2000110.4L18 L19 L24 F25 L26L18-I22 HydrophobicContact CD1-CD1 4.34Å; L18-I22 HydrophobicContact CG-CD1 3.94Å; L18-I22 VanDerWaalsContact O-CG1 3.25Å; L18-I22 WeakPolarHBondContact O-CG1 3.27Å; L18-I22 PolarHBondContact O-N 3.42Å; L19-I22 PolarHBondContact O-N 3Å; I22-L24 PolarHBondContact O-N 3.49Å; I22-F25 PolarHBondContact O-N 3.49Å; I22-L26 HydrophobicContact CG2-CD1 3.57Å; I22-L26 WeakPolarHBondContact O-CB 3.38Å; I22-L26 WeakPolarHBondContact O-CD1 3.45Å; I22-L26 PolarHBondContact O-N 3.33Å
23F76.3Confident79Confident153 Ų153113.6 Ų113.667%0.67158%0.584SS**Hα-helixtrans-63.2-40.5179.3-169.2-96.3000112L19 I20 L26 A27L19-F23 WeakPolarHBondContact O-CB 3.47Å; L19-F23 PolarHBondContact O-N 2.92Å; I20-F23 PolarHBondContact O-N 3.06Å; F23-L26 PolarHBondContact O-N 3.07Å; F23-A27 WeakPolarHBondContact O-CA 3.41Å; F23-A27 WeakPolarHBondContact O-CB 3.39Å; F23-A27 PolarHBondContact O-N 3.47Å
24L70.2Confident79.4Confident111 Ų111112 Ų11258%0.58158%0.584SS**Hα-helixtrans-69.7-35.7177-73.3172.7000112.8I20 V21 I22 A27 M28I20-L24 HydrophobicContact CG2-CD1 3.9Å; I20-L24 HydrophobicContact CG2-CG 4.4Å; I20-L24 WeakPolarHBondContact O-CB 3.29Å; I20-L24 WeakPolarHBondContact O-CG 3.33Å; I20-L24 PolarHBondContact O-N 3.48Å; V21-L24 PolarHBondContact O-N 3.02Å; I22-L24 PolarHBondContact O-N 3.49Å; L24-A27 CarbonylContact O-C 3.5Å; L24-A27 PolarHBondContact O-N 3.29Å; L24-M28 PolarHBondContact O-N 3.24Å
25F66.2Low79.8Confident160 Ų160113.1 Ų113.170%0.70260%0.598SS**Hα-helixtrans-70.1-37.8175.6-132.1-91.6000111.8V21 I22 A27 M28V21-F25 WeakPolarHBondContact O-CB 3.5Å; V21-F25 PolarHBondContact O-N 3.5Å; I22-F25 PolarHBondContact O-N 3.49Å; F25-A27 VanDerWaalsContact C-N 3.32Å; F25-M28 PolarHBondContact O-N 3.42Å
26L63.4Low80.1Confident140 Ų140118.8 Ų118.873%0.73362%0.615SS**Hα-helixtrans-72.2-24.4170.7-87.9136000112.8I22 F23 M28I22-L26 HydrophobicContact CG2-CD1 3.57Å; I22-L26 WeakPolarHBondContact O-CB 3.38Å; I22-L26 WeakPolarHBondContact O-CD1 3.45Å; I22-L26 PolarHBondContact O-N 3.33Å; F23-L26 PolarHBondContact O-N 3.07Å; L26-M28 VanDerWaalsContact C-N 3.32Å
27A64.7Low80.5Confident48 Ų48120.2 Ų120.240%0.39763%0.628SS.*THydrogen-bonded Turntrans-87.210.8175.700000113.9F23 L24 F25 T29F23-A27 WeakPolarHBondContact O-CA 3.41Å; F23-A27 WeakPolarHBondContact O-CB 3.39Å; F23-A27 PolarHBondContact O-N 3.47Å; L24-A27 CarbonylContact O-C 3.5Å; L24-A27 PolarHBondContact O-N 3.29Å; F25-A27 VanDerWaalsContact C-N 3.32Å; A27-T29 PolarHBondContact O-N 3Å
28M65.4Low80.9Confident131 Ų131119.7 Ų119.765%0.64564%0.637SS**SBendtrans-60.4108.7157.1-71.9-164.774.300107.6L24 F25 L26 T30L24-M28 PolarHBondContact O-N 3.24Å; F25-M28 PolarHBondContact O-N 3.42Å; L26-M28 VanDerWaalsContact C-N 3.32Å; M28-T30 PolarHBondContact O-N 3.48Å
29T70.7Confident81.2Confident113 Ų113119.5 Ų119.569%0.69365%0.651SS**  trans-63.1105.9-168.449.30000111.5A27 A31A27-T29 PolarHBondContact O-N 3Å; T29-A31 PolarHBondContact O-N 3.43Å
30T76.4Confident81.5Confident123 Ų123122.6 Ų122.676%0.75566%0.663SS**THydrogen-bonded Turntrans-785-178.7550000114.2M28M28-T30 PolarHBondContact O-N 3.48Å
31A84Confident81.8Confident76 Ų76121.1 Ų121.163%0.62867%0.67SS**THydrogen-bonded Turntrans-70.8-37.6-178.400000112.6T29 R33T29-A31 PolarHBondContact O-N 3.43Å; A31-R33 PolarHBondContact O-N 3.04Å
32H87.5Confident82.1Confident180 Ų180118.4 Ų118.483%0.83366%0.66SS**SBendtrans-8688.1176.3-68.9-75.9000110.2
33R87.9Confident82.2Confident195 Ų195124 Ų12474%0.73668%0.682SS**  trans-113.2150.9175.964-179.6-180-90.21.1111.3A31A31-R33 PolarHBondContact O-N 3.04Å
34A92.5Very high82.4Confident62 Ų62118.4 Ų118.451%0.51267%0.667SS.*  trans-65.7151.7168.900000110.6Y36A34-Y36 HydrophobicContact CB-CE1 4.4Å; A34-Y36 HydrophobicContact CB-CE2 4.25Å; A34-Y36 PolarHBondContact O-N 3.02Å
35T93.5Very high82.6Confident122 Ų122117.5 Ų117.575%0.74866%0.658SS**  trans-84.5103.4171.7-53.80000108.7T37T35-T37 VanDerWaalsContact CG2-O 3.31Å; T35-T37 WeakPolarHBondContact CG2-O 3.29Å
36Y93.7Very high83.2Confident201 Ų201114.9 Ų114.979%0.78865%0.651SS**SBendtrans-84.6-31.7177-63.4-73.8000112.9A34A34-Y36 HydrophobicContact CB-CE1 4.4Å; A34-Y36 HydrophobicContact CB-CE2 4.25Å; A34-Y36 PolarHBondContact O-N 3.02Å
37T94.3Very high84.2Confident118 Ų118111.7 Ų111.772%0.72463%0.633SS**SBendtrans-118.6116175.554.30000108.9T35T35-T37 VanDerWaalsContact CG2-O 3.31Å; T35-T37 WeakPolarHBondContact CG2-O 3.29Å
38P95.2Very high84.9Confident105 Ų105114.6 Ų114.668%0.68266%0.657SS**PPolyproline II helixtrans-68.4156.8175.530.2-34.3000110.5Q40P38-Q40 PolarHBondContact O-N 3.44Å
39A92.2Very high85.6Confident106 Ų106113.1 Ų113.188%0.87665%0.652SS**PPolyproline II helixtrans-62.4133.8172.600000110.2
40Q91.7Very high85.9Confident172 Ų172113 Ų11380%0.80465%0.646SS**PPolyproline II helixtrans-84.1138.4176.7-67.1-175.3-20.300110.5P38P38-Q40 PolarHBondContact O-N 3.44Å
41G91.3Very high85.5Confident61 Ų61110 Ų11063%0.62963%0.63SS**SBendtrans-71.3158.716600000111.3
42G87.5Confident84.8Confident31 Ų31114.4 Ų114.432%0.3264%0.635SS.*SBendtrans131.2-16.6176.100000114.8E47G42-E47 VanDerWaalsContact CA-OE2 3.23Å; G42-E47 WeakPolarHBondContact CA-OE2 3.39Å; G42-E47 PolarHBondContact N-OE1 2.99Å; G42-E47 VanDerWaalsContact N-OE1 3.14Å; G42-E47 PolarHBondContact N-OE2 2.91Å
43F82.1Confident84.1Confident197 Ų197113.3 Ų113.386%0.86464%0.635SS**SBendtrans-116.8-0.3-173.9-57.9-74.9000114.3E47F43-E47 PolarHBondContact N-OE2 3.46Å
44G80.8Confident84Confident34 Ų34106.4 Ų106.435%0.35162%0.616SS.*SBendtrans-92.2-174.5-173.600000115.2N46 E47G44-N46 PolarHBondContact O-N 3.31Å; G44-E47 WeakPolarHBondContact CA-OE2 3.29Å; G44-E47 PolarHBondContact N-OE2 3.02Å; G44-E47 PolarHBondContact O-N 3.49Å; G44-E47 VanDerWaalsContact O-N 3.15Å
45K73Confident83.9Confident92 Ų92112.8 Ų112.840%0.463%0.633SS.*THydrogen-bonded Turntrans-66.6128.9174.7-171.1171.7175.7-173.70110Q56K45-Q56 VanDerWaalsContact CE-O 3.3Å; K45-Q56 WeakPolarHBondContact CE-O 3.41Å; K45-Q56 PolarHBondContact NZ-O 2.94Å
46N79.6Confident83.8Confident105 Ų105113.7 Ų113.756%0.56163%0.628SS**THydrogen-bonded Turntrans78.77.6-171.7-49.1-25.2000115.9G44 L50G44-N46 PolarHBondContact O-N 3.31Å; N46-L50 HydrophobicContact CB-CD2 4.25Å
47E84.7Confident83.7Confident73 Ų73112.1 Ų112.134%0.34162%0.622SS.*SBendtrans-111.5156.8174.9-58.4174.4148.500110.4G42 F43 G44 D49 L50G42-E47 VanDerWaalsContact CA-OE2 3.23Å; G42-E47 WeakPolarHBondContact CA-OE2 3.39Å; G42-E47 PolarHBondContact N-OE1 2.99Å; G42-E47 VanDerWaalsContact N-OE1 3.14Å; G42-E47 PolarHBondContact N-OE2 2.91Å; F43-E47 PolarHBondContact N-OE2 3.46Å; G44-E47 WeakPolarHBondContact CA-OE2 3.29Å; G44-E47 PolarHBondContact N-OE2 3.02Å; G44-E47 PolarHBondContact O-N 3.49Å; G44-E47 VanDerWaalsContact O-N 3.15Å; E47-D49 PolarHBondContact O-N 3.35Å; E47-L50 PolarHBondContact O-N 2.96Å; E47-L50 VanDerWaalsContact O-N 3.14Å
48A78.2Confident83.6Confident110 Ų110109.1 Ų109.191%0.90961%0.606SS**THydrogen-bonded Turntrans48.1-58-178.900000117.4
49D80.2Confident83.7Confident99 Ų99108.9 Ų108.953%0.52961%0.607SS.*THydrogen-bonded Turntrans-129.722.4-174.8-164.212.3000111.8E47 S51 K52E47-D49 PolarHBondContact O-N 3.35Å; D49-S51 PolarHBondContact O-N 2.83Å; D49-K52 WeakPolarHBondContact O-CA 3.5Å; D49-K52 PolarHBondContact O-N 3.36Å; D49-K52 VanDerWaalsContact OD2-CG 3.23Å; D49-K52 WeakPolarHBondContact OD2-CG 3.39Å
50L78.4Confident83.9Confident111 Ų111114.6 Ų114.658%0.58161%0.606SS**Hα-helixtrans46.435.9-173.7-64.4173.5000112.6N46 E47 K52N46-L50 HydrophobicContact CB-CD2 4.25Å; E47-L50 PolarHBondContact O-N 2.96Å; E47-L50 VanDerWaalsContact O-N 3.14Å; L50-K52 VanDerWaalsContact C-N 3.27Å; L50-K52 PolarHBondContact O-N 2.96Å
51S67.8Low84Confident59 Ų59111.2 Ų111.241%0.41359%0.593SS.*Hα-helixtrans4648.5-170.5177.10000113.5D49 L53 S54D49-S51 PolarHBondContact O-N 2.83Å; S51-L53 VanDerWaalsContact C-N 3.31Å; S51-L53 PolarHBondContact O-N 3.42Å; S51-S54 PolarHBondContact O-N 2.85Å
52K68.2Low84.1Confident169 Ų169112.6 Ų112.674%0.73559%0.586SS**Hα-helixtrans60.428.1170.2-62.8179-179.7-173.40115.4D49 L50D49-K52 WeakPolarHBondContact O-CA 3.5Å; D49-K52 PolarHBondContact O-N 3.36Å; D49-K52 VanDerWaalsContact OD2-CG 3.23Å; D49-K52 WeakPolarHBondContact OD2-CG 3.39Å; L50-K52 VanDerWaalsContact C-N 3.27Å; L50-K52 PolarHBondContact O-N 2.96Å
53L73.2Confident84.6Confident157 Ų157116.8 Ų116.882%0.82261%0.607SS**Hα-helixtrans71.842.4-177.3-58.6125.6000115.3S51 K55S51-L53 VanDerWaalsContact C-N 3.31Å; S51-L53 PolarHBondContact O-N 3.42Å; L53-K55 PolarHBondContact O-N 3.2Å
54S86.8Confident85.3Confident51 Ų51111.5 Ų111.536%0.35759%0.594SS.*  trans-51.9132.3170.1-178.40000112.4S51 Q56S51-S54 PolarHBondContact O-N 2.85Å; S54-Q56 PolarHBondContact O-N 3.41Å; S54-Q56 PolarHBondContact OG-N 2.9Å
55K88.9Confident86Confident196 Ų196118.1 Ų118.185%0.85262%0.616SS**  trans-78.3-3176.3-64.7-174.9180-1790114L53 Y57L53-K55 PolarHBondContact O-N 3.2Å; K55-Y57 WeakPolarHBondContact O-CD1 3.48Å; K55-Y57 PolarHBondContact O-N 3.22Å
56Q91.5Very high87.2Confident140 Ų140119.8 Ų119.865%0.65463%0.634SS**  trans-79.3118.7-179.1-67174.6-900109.5K45 S54K45-Q56 VanDerWaalsContact CE-O 3.3Å; K45-Q56 WeakPolarHBondContact CE-O 3.41Å; K45-Q56 PolarHBondContact NZ-O 2.94Å; S54-Q56 PolarHBondContact O-N 3.41Å; S54-Q56 PolarHBondContact OG-N 2.9Å
57Y91.9Very high88Confident169 Ų169123.4 Ų123.466%0.66365%0.645SS**  trans-120.4150.417057.4-87.8000109.8K55 L62K55-Y57 WeakPolarHBondContact O-CD1 3.48Å; K55-Y57 PolarHBondContact O-N 3.22Å; Y57-L62 HydrophobicContact CD2-CD2 4.1Å; Y57-L62 HydrophobicContact CE2-CD2 3.82Å
58S93.1Very high88.6Confident55 Ų55126.2 Ų126.239%0.38566%0.661SS.*  trans-83.7161.2172.5-168.60000110.6R60 D61S58-R60 PolarHBondContact O-N 2.9Å; S58-D61 VanDerWaalsContact CB-OD2 3.29Å; S58-D61 WeakPolarHBondContact CB-OD2 3.37Å; S58-D61 PolarHBondContact N-OD2 3.25Å; S58-D61 PolarHBondContact O-N 3.37Å
59S96.6Very high89.5Confident99 Ų99130.7 Ų130.769%0.69266%0.66SS**G310 helixtrans-59-26.3168.355.80000112.6D61S59-D61 VanDerWaalsContact C-N 3.35Å
60R95.8Very high90.2Very high227 Ų227134.4 Ų134.486%0.85767%0.668SS**G310 helixtrans-76.3-18175.8-67.1-178.8175146.6-0.8114.2S58 L62S58-R60 PolarHBondContact O-N 2.9Å; R60-L62 VanDerWaalsContact C-N 3.34Å
61D93.9Very high91Very high100 Ų100137.2 Ų137.254%0.53567%0.671SS.*G310 helixtrans-89.6-4.6179.6-55.6-36.1000112.1S58 S59S58-D61 VanDerWaalsContact CB-OD2 3.29Å; S58-D61 WeakPolarHBondContact CB-OD2 3.37Å; S58-D61 PolarHBondContact N-OD2 3.25Å; S58-D61 PolarHBondContact O-N 3.37Å; S59-D61 VanDerWaalsContact C-N 3.35Å
62L94.6Very high92.3Very high91 Ų91140 Ų14048%0.47668%0.677SS.*SBendtrans-62.9147.4174.3-69.7171.8000110.2Y57 R60 S64Y57-L62 HydrophobicContact CD2-CD2 4.1Å; Y57-L62 HydrophobicContact CE2-CD2 3.82Å; R60-L62 VanDerWaalsContact C-N 3.34Å; L62-S64 PolarHBondContact O-N 2.97Å
63P96.7Very high93.5Very high118 Ų118137.3 Ų137.377%0.76668%0.675SS**SBendtrans-54.7112.8-177.2-2735.1000112.4T66P63-T66 HydrophobicContact CB-CG2 3.99Å
64S96.8Very high94.5Very high86 Ų86132.9 Ų132.960%0.60167%0.668SS**  trans-141144.8175-174.90000109.4L62 T66L62-S64 PolarHBondContact O-N 2.97Å; S64-T66 VanDerWaalsContact C-N 3.3Å; S64-T66 PolarHBondContact O-N 2.83Å
65H97Very high94.9Very high173 Ų173136 Ų13680%0.80168%0.676SS**  trans5145.2-176.3-59.6-69000114.1K67H65-K67 PolarHBondContact O-N 2.75Å
66T97.2Very high95.1Very high128 Ų128128 Ų12879%0.78565%0.648SS**  trans-67.5-5.1-178.6580000114.5P63 S64P63-T66 HydrophobicContact CB-CG2 3.99Å; S64-T66 VanDerWaalsContact C-N 3.3Å; S64-T66 PolarHBondContact O-N 2.83Å
67K97.3Very high95.1Very high181 Ų181122.4 Ų122.479%0.78762%0.624SS**SBendtrans-121113.5177.8-172.8173.3-177.4174.30110.1H65H65-K67 PolarHBondContact O-N 2.75Å
68L96.6Very high95.2Very high131 Ų131118.1 Ų118.169%0.68662%0.623SS**PPolyproline II helixtrans-68.3137.2172.2-64.9175.9000110.2
69K96.5Very high95.1Very high205 Ų205122.8 Ų122.889%0.89164%0.639SS**PPolyproline II helixtrans-90.9125.9174.5-64.9179.8179179.60109
70Y95.6Very high94.9Very high176 Ų176120 Ų12069%0.6962%0.615SS**PPolyproline II helixtrans-96.4144.2171.2-61.2-81.7000110.1Q72Y70-Q72 PolarHBondContact O-N 3.05Å; Y70-Q72 PolarHBondContact O-NE2 2.59Å; Y70-Q72 VanDerWaalsContact O-NE2 3.14Å
71R95.9Very high94.8Very high170 Ų170112.3 Ų112.364%0.64259%0.59SS**PPolyproline II helixtrans-61125174.1-65.7180179.4-87.2-1.5108.7Q75 A76R71-Q75 HydrophobicContact CB-CB 4.48Å; R71-Q75 PolarHBondContact NH1-O 3.1Å; R71-A76 WeakPolarHBondContact CD-O 3.4Å
72Q94.1Very high94.8Very high117 Ų117116.7 Ų116.755%0.54761%0.605SS.*PPolyproline II helixtrans-79.8167.7173.3-58.3-57.3-61.200110.2Y70 G74 Q75Y70-Q72 PolarHBondContact O-N 3.05Å; Y70-Q72 PolarHBondContact O-NE2 2.59Å; Y70-Q72 VanDerWaalsContact O-NE2 3.14Å; Q72-G74 PolarHBondContact O-N 3.16Å; Q72-Q75 WeakPolarHBondContact O-CB 3.47Å; Q72-Q75 PolarHBondContact O-N 3.03Å; Q72-Q75 VanDerWaalsContact O-N 3.07Å
73T94.5Very high94.6Very high113 Ų113117.1 Ų117.169%0.69362%0.616SS**THydrogen-bonded Turntrans-56.2137.3164.3520000109.3E80T73-E80 WeakPolarHBondContact CA-OE1 3.38Å
74G93.3Very high94.4Very high64 Ų64115.7 Ų115.766%0.6660%0.595SS**THydrogen-bonded Turntrans88.5-12.9-170.500000115.4Q72 E80Q72-G74 PolarHBondContact O-N 3.16Å; G74-E80 PolarHBondContact N-OE1 3.1Å
75Q94.6Very high94.3Very high116 Ų116116.2 Ų116.254%0.54259%0.591SS.*SBendtrans-105.931.5-178.6-60.9-175.8-2.100113.6R71 Q72R71-Q75 HydrophobicContact CB-CB 4.48Å; R71-Q75 PolarHBondContact NH1-O 3.1Å; Q72-Q75 WeakPolarHBondContact O-CB 3.47Å; Q72-Q75 PolarHBondContact O-N 3.03Å; Q72-Q75 VanDerWaalsContact O-N 3.07Å
76A92.7Very high94.3Very high30 Ų30113.1 Ų113.125%0.24858%0.575CS.*  trans60.154-170.900000111.8R71 L81R71-A76 WeakPolarHBondContact CD-O 3.4Å; A76-L81 HydrophobicContact CB-CD1 4.15Å; A76-L81 HydrophobicContact CB-CD2 3.95Å; A76-L81 HydrophobicContact CB-CG 4.13Å
77S93.2Very high94.2Very high21 Ų21113.8 Ų113.815%0.14757%0.573CS.*  trans-57.2148.9166.2-179.40000110E79 E80 L81S77-E79 PolarHBondContact O-N 3.29Å; S77-E80 PolarHBondContact O-N 2.81Å; S77-E80 VanDerWaalsContact O-N 3.08Å; S77-L81 PolarHBondContact O-N 2.75Å; S77-L81 VanDerWaalsContact O-N 3.07Å
78A93.4Very high94.2Very high79 Ų79112 Ų11265%0.65356%0.563SS**Hα-helixtrans-57.3-33.6-177.800000112.4L81 K82A78-L81 PolarHBondContact O-N 3.3Å; A78-K82 PolarHBondContact O-N 2.87Å
79E91.1Very high94.2Very high154 Ų154109.8 Ų109.872%0.7255%0.549SS*.Hα-helixtrans-66.3-41.2177.6-65173.1-177.100112.2S77 K82S77-E79 PolarHBondContact O-N 3.29Å; E79-K82 PolarHBondContact O-N 3.31Å
80E92.6Very high94.2Very high41 Ų41105.2 Ų105.219%0.19253%0.533CS..Hα-helixtrans-70-37.4176.6-64.8176.8-173.400112.2T73 G74 S77 K82 S83 R84T73-E80 WeakPolarHBondContact CA-OE1 3.38Å; G74-E80 PolarHBondContact N-OE1 3.1Å; S77-E80 PolarHBondContact O-N 2.81Å; S77-E80 VanDerWaalsContact O-N 3.08Å; E80-K82 PolarHBondContact O-N 3.34Å; E80-S83 PolarHBondContact O-N 3.27Å; E80-S83 PolarHBondContact O-OG 3.04Å; E80-S83 VanDerWaalsContact O-OG 3.14Å; E80-R84 WeakPolarHBondContact O-CG 3.45Å; E80-R84 PolarHBondContact O-N 2.94Å; E80-R84 IonicContact OE2-CZ 3.01Å; E80-R84 IonicContact OE2-NH1 2.95Å; E80-R84 IonicContact OE2-NH2 3.59Å; E80-R84 PolarHBondContact OE2-NH2 3.41Å
81L93.4Very high94.3Very high64 Ų64101.7 Ų101.734%0.33552%0.523SS..Hα-helixtrans-66.8-28.5178.5-68.9174.3000111.9A76 S77 A78 S83 F86A76-L81 HydrophobicContact CB-CD1 4.15Å; A76-L81 HydrophobicContact CB-CD2 3.95Å; A76-L81 HydrophobicContact CB-CG 4.13Å; S77-L81 PolarHBondContact O-N 2.75Å; S77-L81 VanDerWaalsContact O-N 3.07Å; A78-L81 PolarHBondContact O-N 3.3Å; L81-S83 VanDerWaalsContact C-N 3.33Å; L81-F86 HydrophobicContact CB-CZ 4.15Å; L81-F86 HydrophobicContact CD2-CE1 3.83Å; L81-F86 HydrophobicContact CD2-CZ 3.59Å; L81-F86 HydrophobicContact CG-CZ 4.48Å; L81-F86 WeakPolarHBondContact O-CE2 3.24Å; L81-F86 WeakPolarHBondContact O-CZ 3.3Å
82K93.1Very high94.3Very high192 Ų19295.5 Ų95.584%0.83550%0.503SS*.Hα-helixtrans-71.8-27.6179.2-166.4172.7-177.3-179.70113A78 E79 E80A78-K82 PolarHBondContact O-N 2.87Å; E79-K82 PolarHBondContact O-N 3.31Å; E80-K82 PolarHBondContact O-N 3.34Å
83S91.4Very high94.5Very high101 Ų10198.5 Ų98.571%0.70651%0.509SS*.Hα-helixtrans-94.8-12.6-179.4590000114.4E80 L81E80-S83 PolarHBondContact O-N 3.27Å; E80-S83 PolarHBondContact O-OG 3.04Å; E80-S83 VanDerWaalsContact O-OG 3.14Å; L81-S83 VanDerWaalsContact C-N 3.33Å
84R92.6Very high94.6Very high87 Ų8799.1 Ų99.133%0.32850%0.504SS..  trans-79140.9-179.6-77.5-179.8-173.4125.69112.6E80 F86E80-R84 WeakPolarHBondContact O-CG 3.45Å; E80-R84 PolarHBondContact O-N 2.94Å; E80-R84 IonicContact OE2-CZ 3.01Å; E80-R84 IonicContact OE2-NH1 2.95Å; E80-R84 IonicContact OE2-NH2 3.59Å; E80-R84 PolarHBondContact OE2-NH2 3.41Å; R84-F86 HydrophobicContact CB-CE1 4.13Å; R84-F86 HydrophobicContact CB-CZ 4.11Å
85D95.4Very high94.6Very high97 Ų97103.3 Ų103.352%0.51950%0.5SS..  trans-9596.5167.5-1773.1000110.3L87 E89D85-L87 VanDerWaalsContact C-N 3.29Å; D85-L87 PolarHBondContact O-N 3.47Å; D85-L87 PolarHBondContact OD1-N 3.02Å; D85-E89 PolarHBondContact O-N 3.01Å
86F96.3Very high94.7Very high108 Ų108102.8 Ų102.847%0.47450%0.498SS..Hα-helixtrans-68-25.9-176.9-61.1-69.5000113.7L81 R84 L90L81-F86 HydrophobicContact CB-CZ 4.15Å; L81-F86 HydrophobicContact CD2-CE1 3.83Å; L81-F86 HydrophobicContact CD2-CZ 3.59Å; L81-F86 HydrophobicContact CG-CZ 4.48Å; L81-F86 WeakPolarHBondContact O-CE2 3.24Å; L81-F86 WeakPolarHBondContact O-CZ 3.3Å; R84-F86 HydrophobicContact CB-CE1 4.13Å; R84-F86 HydrophobicContact CB-CZ 4.11Å; F86-L90 WeakPolarHBondContact O-CB 3.49Å; F86-L90 PolarHBondContact O-N 3.33Å
87L95.8Very high94.8Very high142 Ų142103.6 Ų103.674%0.74350%0.504SS*.Hα-helixtrans-68.4-48.4-179.3-68.8176.6000110D85 L90 E91D85-L87 VanDerWaalsContact C-N 3.29Å; D85-L87 PolarHBondContact O-N 3.47Å; D85-L87 PolarHBondContact OD1-N 3.02Å; L87-L90 PolarHBondContact O-N 3.14Å; L87-E91 WeakPolarHBondContact O-CB 3.45Å; L87-E91 PolarHBondContact O-N 2.61Å
88Y96.4Very high94.8Very high144 Ų144104.7 Ų104.757%0.56551%0.514SS*.Hα-helixtrans-63.2-44176.6179.6-106.3000112.4N92Y88-N92 WeakPolarHBondContact CE1-ND2 3.34Å; Y88-N92 VanDerWaalsContact CE2-ND2 3.33Å; Y88-N92 WeakPolarHBondContact CE2-ND2 3.13Å; Y88-N92 WeakPolarHBondContact O-CB 3.17Å; Y88-N92 PolarHBondContact O-N 3.37Å; Y88-N92 VanDerWaalsContact O-N 3.09Å; Y88-N92 PolarHBondContact O-ND2 3Å; Y88-N92 PolarHBondContact OH-ND2 3.16Å
89E96.3Very high94.7Very high85 Ų85102.5 Ų102.540%0.39750%0.5SS..Hα-helixtrans-63.6-42.1177.2-73.4-176.2-171.600112.4D85 R93D85-E89 PolarHBondContact O-N 3.01Å; E89-R93 WeakPolarHBondContact O-CB 3.3Å; E89-R93 WeakPolarHBondContact O-CG 3.21Å; E89-R93 PolarHBondContact O-N 3.5Å
90L97Very high94.7Very high108 Ų108101.1 Ų101.157%0.56549%0.492SS*.Hα-helixtrans-64.4-48.2178.5-172161.4000110.8F86 L87 N92 R93 E94F86-L90 WeakPolarHBondContact O-CB 3.49Å; F86-L90 PolarHBondContact O-N 3.33Å; L87-L90 PolarHBondContact O-N 3.14Å; L90-N92 VanDerWaalsContact C-N 3.34Å; L90-N92 PolarHBondContact O-N 3.13Å; L90-R93 PolarHBondContact O-N 3Å; L90-E94 WeakPolarHBondContact O-CB 3.26Å; L90-E94 PolarHBondContact O-N 3.4Å
91E97.2Very high94.5Very high102 Ų102108.3 Ų108.348%0.47752%0.517SS..Hα-helixtrans-60.2-44.1-179.9-165.9-163.5159.300111.4L87 R93 E94 R95L87-E91 WeakPolarHBondContact O-CB 3.45Å; L87-E91 PolarHBondContact O-N 2.61Å; E91-R93 PolarHBondContact O-N 3.01Å; E91-E94 PolarHBondContact O-N 3.05Å; E91-R95 WeakPolarHBondContact O-CB 3.5Å; E91-R95 PolarHBondContact O-N 3.12Å; E91-R95 IonicContact OE1-NH2 2.82Å; E91-R95 PolarHBondContact OE1-NH2 2.96Å
92N96.8Very high94.1Very high40 Ų40114.6 Ų114.621%0.21454%0.536CS..Hα-helixtrans-62.4-43.2176.7-77.6-34.1000112.2Y88 L90 E94 R95 E96Y88-N92 WeakPolarHBondContact CE1-ND2 3.34Å; Y88-N92 VanDerWaalsContact CE2-ND2 3.33Å; Y88-N92 WeakPolarHBondContact CE2-ND2 3.13Å; Y88-N92 WeakPolarHBondContact O-CB 3.17Å; Y88-N92 PolarHBondContact O-N 3.37Å; Y88-N92 VanDerWaalsContact O-N 3.09Å; Y88-N92 PolarHBondContact O-ND2 3Å; Y88-N92 PolarHBondContact OH-ND2 3.16Å; L90-N92 VanDerWaalsContact C-N 3.34Å; L90-N92 PolarHBondContact O-N 3.13Å; N92-E94 VanDerWaalsContact C-N 3.35Å; N92-R95 PolarHBondContact O-N 3.09Å; N92-E96 PolarHBondContact O-N 3.17Å
93R97.2Very high93.5Very high181 Ų181109.6 Ų109.668%0.68352%0.522SS*.Hα-helixtrans-66.2-36.7176.7-73.2-17470.581.32.2112.4E89 L90 E91 E96 A97E89-R93 WeakPolarHBondContact O-CB 3.3Å; E89-R93 WeakPolarHBondContact O-CG 3.21Å; E89-R93 PolarHBondContact O-N 3.5Å; L90-R93 PolarHBondContact O-N 3Å; E91-R93 PolarHBondContact O-N 3.01Å; R93-E96 PolarHBondContact O-N 3.22Å; R93-A97 VanDerWaalsContact O-CB 3.28Å; R93-A97 WeakPolarHBondContact O-CB 3.4Å; R93-A97 PolarHBondContact O-N 2.83Å
94E96Very high92.7Very high126 Ų126108.5 Ų108.559%0.58951%0.514SS*.Hα-helixtrans-65.8-42.4174.9-175.5167.6-166.600111.1L90 E91 N92 E96 A97 A98L90-E94 WeakPolarHBondContact O-CB 3.26Å; L90-E94 PolarHBondContact O-N 3.4Å; E91-E94 PolarHBondContact O-N 3.05Å; N92-E94 VanDerWaalsContact C-N 3.35Å; E94-E96 PolarHBondContact O-N 3.05Å; E94-A97 PolarHBondContact O-N 3.21Å; E94-A98 VanDerWaalsContact O-CB 3.28Å; E94-A98 WeakPolarHBondContact O-CB 3.41Å; E94-A98 PolarHBondContact O-N 3.12Å
95R95.4Very high91.5Very high152 Ų152107.8 Ų107.857%0.57453%0.527SS*.Hα-helixtrans-60.1-45.7174.7-169.5-178.7-62.8161.83.2111.8E91 N92 A98 G99E91-R95 WeakPolarHBondContact O-CB 3.5Å; E91-R95 PolarHBondContact O-N 3.12Å; E91-R95 IonicContact OE1-NH2 2.82Å; E91-R95 PolarHBondContact OE1-NH2 2.96Å; N92-R95 PolarHBondContact O-N 3.09Å; R95-A98 PolarHBondContact O-N 3.41Å; R95-G99 PolarHBondContact O-N 3.44Å
96E95.3Very high89.8Confident105 Ų105113 Ų11349%0.49154%0.54SS..Hα-helixtrans-63.2-44.3174.8-75.8-174.5-157.200112.8N92 R93 E94 A98 G99 K100N92-E96 PolarHBondContact O-N 3.17Å; R93-E96 PolarHBondContact O-N 3.22Å; E94-E96 PolarHBondContact O-N 3.05Å; E96-A98 VanDerWaalsContact C-N 3.34Å; E96-G99 PolarHBondContact O-N 3.48Å; E96-K100 WeakPolarHBondContact O-CG 3.42Å; E96-K100 PolarHBondContact O-N 2.84Å; E96-K100 IonicContact OE2-NZ 2.72Å; E96-K100 PolarHBondContact OE2-NZ 3.47Å
97A94.7Very high87.9Confident46 Ų46112.3 Ų112.338%0.3854%0.539SS..Hα-helixtrans-63.8-41.3178.700000111R93 E94 K100 R101R93-A97 VanDerWaalsContact O-CB 3.28Å; R93-A97 WeakPolarHBondContact O-CB 3.4Å; R93-A97 PolarHBondContact O-N 2.83Å; E94-A97 PolarHBondContact O-N 3.21Å; A97-K100 PolarHBondContact O-N 2.84Å; A97-R101 WeakPolarHBondContact O-CB 3.23Å; A97-R101 VanDerWaalsContact O-CG 3.27Å; A97-R101 WeakPolarHBondContact O-CG 3.25Å; A97-R101 PolarHBondContact O-N 3.32Å
98A93.3Very high85.9Confident44 Ų44110.6 Ų110.636%0.36454%0.536SS..Hα-helixtrans-62.1-4317300000111.4E94 R95 E96 R101 R102E94-A98 VanDerWaalsContact O-CB 3.28Å; E94-A98 WeakPolarHBondContact O-CB 3.41Å; E94-A98 PolarHBondContact O-N 3.12Å; R95-A98 PolarHBondContact O-N 3.41Å; E96-A98 VanDerWaalsContact C-N 3.34Å; A98-R101 PolarHBondContact O-N 3.41Å; A98-R102 WeakPolarHBondContact O-CB 3.49Å; A98-R102 VanDerWaalsContact O-CG 3.26Å; A98-R102 WeakPolarHBondContact O-CG 3.3Å; A98-R102 PolarHBondContact O-N 3.02Å
99G91.3Very high83.5Confident34 Ų34107.4 Ų107.435%0.35153%0.534SS..Hα-helixtrans-57.9-49.5173.400000112.6R95 E96 R101 R102 T103R95-G99 PolarHBondContact O-N 3.44Å; E96-G99 PolarHBondContact O-N 3.48Å; G99-R101 PolarHBondContact O-N 3.02Å; G99-R102 PolarHBondContact O-N 2.63Å; G99-T103 PolarHBondContact O-N 2.72Å; G99-T103 PolarHBondContact O-OG1 2.99Å
100K91.7Very high81Confident125 Ų125108.6 Ų108.654%0.54354%0.543SS..Hα-helixtrans-63-38.4177.2-70.2161.5-173.2159.10112.5E96 A97 T103 S104E96-K100 WeakPolarHBondContact O-CG 3.42Å; E96-K100 PolarHBondContact O-N 2.84Å; E96-K100 IonicContact OE2-NZ 2.72Å; E96-K100 PolarHBondContact OE2-NZ 3.47Å; A97-K100 PolarHBondContact O-N 2.84Å; K100-T103 WeakPolarHBondContact CA-OG1 3.42Å; K100-T103 PolarHBondContact O-OG1 2.91Å; K100-S104 WeakPolarHBondContact O-CB 3.4Å; K100-S104 PolarHBondContact O-N 3.22Å; K100-S104 PolarHBondContact O-OG 3.03Å
101R88.5Confident78.9Confident192 Ų192110.4 Ų110.473%0.72555%0.551SS**Hα-helixtrans-66-37.6173.9-74.6175.871.1-173.92.6111.9A97 A98 G99 S104 A105A97-R101 WeakPolarHBondContact O-CB 3.23Å; A97-R101 VanDerWaalsContact O-CG 3.27Å; A97-R101 WeakPolarHBondContact O-CG 3.25Å; A97-R101 PolarHBondContact O-N 3.32Å; A98-R101 PolarHBondContact O-N 3.41Å; G99-R101 PolarHBondContact O-N 3.02Å; R101-S104 PolarHBondContact O-OG 2.95Å; R101-A105 WeakPolarHBondContact O-CB 3.17Å; R101-A105 PolarHBondContact O-N 3.44Å
102R83.7Confident76.7Confident196 Ų196110 Ų11074%0.7457%0.565SS**Hα-helixtrans-70.3-41.7177.3-72.3173.171.7163.44111.7A98 G99 R106A98-R102 WeakPolarHBondContact O-CB 3.49Å; A98-R102 VanDerWaalsContact O-CG 3.26Å; A98-R102 WeakPolarHBondContact O-CG 3.3Å; A98-R102 PolarHBondContact O-N 3.02Å; G99-R102 PolarHBondContact O-N 2.63Å; R102-R106 WeakPolarHBondContact O-CB 3.39Å; R102-R106 PolarHBondContact O-N 3.38Å
103T80.6Confident74.7Confident86 Ų86113.4 Ų113.453%0.52858%0.583SS.*Hα-helixtrans-65.7-46.6174.557.40000110.4G99 K100 A105 R106 M107G99-T103 PolarHBondContact O-N 2.72Å; G99-T103 PolarHBondContact O-OG1 2.99Å; K100-T103 WeakPolarHBondContact CA-OG1 3.42Å; K100-T103 PolarHBondContact O-OG1 2.91Å; T103-A105 PolarHBondContact O-N 3.29Å; T103-R106 PolarHBondContact O-N 3.01Å; T103-M107 WeakPolarHBondContact O-CB 3.48Å; T103-M107 WeakPolarHBondContact O-CG 3.37Å; T103-M107 PolarHBondContact O-N 3.39Å
104S76Confident72.4Confident78 Ų78112.3 Ų112.355%0.54558%0.583SS.*Hα-helixtrans-65.8-35.5178.372.10000113.4K100 R101 M107 P108K100-S104 WeakPolarHBondContact O-CB 3.4Å; K100-S104 PolarHBondContact O-N 3.22Å; K100-S104 PolarHBondContact O-OG 3.03Å; R101-S104 PolarHBondContact O-OG 2.95Å; S104-M107 PolarHBondContact O-N 2.94Å; S104-P108 WeakPolarHBondContact O-CD 3.47Å
105A67Low69.9Low73 Ų73112.9 Ų112.960%0.60360%0.598SS**Hα-helixtrans-73.2-25.5175.300000113.3R101 T103 P108R101-A105 WeakPolarHBondContact O-CB 3.17Å; R101-A105 PolarHBondContact O-N 3.44Å; T103-A105 PolarHBondContact O-N 3.29Å; A105-P108 VanDerWaalsContact C-CD 3.4Å; A105-P108 WeakPolarHBondContact O-CD 3.44Å; A105-P108 WeakPolarHBondContact O-CG 3.16Å
106R58.5Low67.7Low207 Ų207112.8 Ų112.878%0.78161%0.608SS**Hα-helixtrans-88.5-17174.4-160172168.7121.3-3112.6R102 T103R102-R106 WeakPolarHBondContact O-CB 3.39Å; R102-R106 PolarHBondContact O-N 3.38Å; T103-R106 PolarHBondContact O-N 3.01Å
107M57.2Low65.4Low93 Ų93116.5 Ų116.546%0.45862%0.622SS.*THydrogen-bonded Turntrans-96.415.1179.8-64.8-69.3-91.200117.5T103 S104 C109 L110T103-M107 WeakPolarHBondContact O-CB 3.48Å; T103-M107 WeakPolarHBondContact O-CG 3.37Å; T103-M107 PolarHBondContact O-N 3.39Å; S104-M107 PolarHBondContact O-N 2.94Å; M107-C109 PolarHBondContact O-N 3.49Å; M107-L110 HydrophobicContact SD-CB 3.9Å; M107-L110 HydrophobicContact SD-CD1 3.83Å
108P53.1Low63.1Low106 Ų106120.3 Ų120.369%0.68864%0.64SS**THydrogen-bonded Turntrans-82.21.3162.730.8-23.1000112.3S104 A105S104-P108 WeakPolarHBondContact O-CD 3.47Å; A105-P108 VanDerWaalsContact C-CD 3.4Å; A105-P108 WeakPolarHBondContact O-CD 3.44Å; A105-P108 WeakPolarHBondContact O-CG 3.16Å
109C46.5Very low60.8Low76 Ų76123.1 Ų123.151%0.51466%0.658SS.*SBendtrans-114.3-32.1-176.7-169.50000114.2M107 I111M107-C109 PolarHBondContact O-N 3.49Å; C109-I111 PolarHBondContact O-N 3.32Å
110L44.3Very low58.6Low111 Ų111129.1 Ų129.158%0.58168%0.68SS**THydrogen-bonded Turntrans-78.1-17.2-171.8-96.8166.5000115.4M107 A112M107-L110 HydrophobicContact SD-CB 3.9Å; M107-L110 HydrophobicContact SD-CD1 3.83Å; L110-A112 VanDerWaalsContact C-N 3.33Å
111I52.1Low56.1Low146 Ų146129.5 Ų129.575%0.74969%0.693SS**THydrogen-bonded Turntrans-79.5-18.3-179.9-54.9173000111.6C109C109-I111 PolarHBondContact O-N 3.32Å
112A51.6Low54Low92 Ų92128.7 Ų128.776%0.7670%0.702SS**THydrogen-bonded Turntrans-97.8-6-176.400000114.8L110L110-A112 VanDerWaalsContact C-N 3.33Å
113L55Low52Low113 Ų113123.9 Ų123.959%0.59270%0.704SS**THydrogen-bonded Turntrans-107.1-14.7-171.3-91.6145000115.3
114F47.8Very low50Low157 Ų157127 Ų12769%0.68972%0.718SS**  trans-155110.5174.4-86.4-89.3000112.1L116F114-L116 PolarHBondContact O-N 3.21Å; F114-L116 VanDerWaalsContact O-N 3.16Å
115P44.6Very low48.7Very low138 Ų138128.1 Ų128.190%0.89673%0.726SS**  trans-8467.9160.334.6-31.1000108.7K117P115-K117 PolarHBondContact O-N 2.94Å
116L49.5Very low47.9Very low150 Ų150130 Ų13079%0.78573%0.732SS**  trans-93.6102.3177.1-157.864.6000111.2F114F114-L116 PolarHBondContact O-N 3.21Å; F114-L116 VanDerWaalsContact O-N 3.16Å
117K46.8Very low47Very low183 Ų183126.2 Ų126.280%0.79673%0.734SS**  trans-57.5148.1164.3-143.8162-176.21690109.6P115P115-K117 PolarHBondContact O-N 2.94Å
118V45.2Very low46.6Very low126 Ų126129.9 Ų129.976%0.76475%0.754SS**  trans100.2102155.3-169.10000117.8
119S46.3Very low46.3Very low104 Ų104130.1 Ų130.173%0.72775%0.754SS**  52.1107.5129.2-46.70000121.2T121S119-T121 PolarHBondContact O-N 2.9Å
120I44.1Very low46.5Very low160 Ų160135.8 Ų135.882%0.82177%0.77SS**  trans-5.4113.4131.4-56.4168.5000113.8
121T40.6Very low46.6Very low132 Ų132141.1 Ų141.181%0.8179%0.788SS**  179129.9115.5380000111.3S119S119-T121 PolarHBondContact O-N 2.9Å
122L42.8Very low46.3Very low176 Ų176143.4 Ų143.492%0.92179%0.793SS**  trans-47.3129.9162.6-106.656.5000112.4
123A42.7Very low46.1Very low95 Ų95144.6 Ų144.679%0.78580%0.796SS**  164.3112.1129.600000111.8
124D38.2Very low46Very low151 Ų151146.5 Ų146.581%0.80781%0.806SS**  trans69.5120.6132.1-144.20.2000122.6
125S49.2Very low46.1Very low102 Ų102146.7 Ų146.771%0.71381%0.814SS**  trans94.5142.7147.9-67.90000122.2
126P50.6Low46.1Very low112 Ų112148.4 Ų148.473%0.72781%0.81SS**  trans-106.2171-145.239.7-30000115.7
127P39Very low46.1Very low127 Ų127147 Ų14783%0.82581%0.812SS**PPolyproline II helixtrans-92.9133-159.434.9-30.8000114
128L48.6Very low45.4Very low170 Ų170142.8 Ų142.889%0.8981%0.812SS**PPolyproline II helixtrans-99145.2165.2-96.791.4000113.2
129T47.5Very low44.9Very low112 Ų112141.5 Ų141.569%0.68782%0.815SS**PPolyproline II helixtrans-61.2156.2-174.552.30000117.2
130K49.6Very low44.3Very low195 Ų195141.3 Ų141.385%0.84882%0.82SS**  trans79.2103147.4-74.4165.6-173.5175.50118.8
131K47Very low44.1Very low222 Ų222137.9 Ų137.997%0.96582%0.815SS**  trans-69.7123.6154-73176.1174.41760109.9
132K46Very low44Very low194 Ų194136.1 Ų136.184%0.84381%0.814SS**  trans-129.2116.3161.7-147-179.8-172.7-173.20105.8
133S46.1Very low44.1Very low118 Ų118136.2 Ų136.283%0.82581%0.814SS**  trans-110.5112.9173.9164.50000106.2
134L52.8Low44.2Very low153 Ų153134.9 Ų134.980%0.80181%0.809SS**  trans-121.5124.8163.7-82.9170.5000105.3
135N50.3Low44.3Very low161 Ų161135.7 Ų135.786%0.86181%0.813SS**  trans-84.9140.9177.8-162.722.8000109.1
136E46.2Very low44.2Very low174 Ų174134.7 Ų134.781%0.81381%0.811SS**  trans-112.7127.5-168-179.1179.9-171.900107.6
137S47.9Very low43.9Very low119 Ų119136.1 Ų136.183%0.83281%0.813SS**  trans-168.580.7154.561.50000110.2
138A33.2Very low44.2Very low96 Ų96137.9 Ų137.979%0.79381%0.81SS**  trans-96.4131.4147.600000106.6
139A34.1Very low44.4Very low99 Ų99134.9 Ų134.982%0.81880%0.803SS**  trans159.9127.8142.800000112.9
140A33.4Very low44.5Very low100 Ų100134.5 Ų134.583%0.82680%0.803SS**  trans82.3124.7130.900000121.5
141A40Very low44.3Very low88 Ų88131.3 Ų131.373%0.72779%0.791SS**  trans12594.714800000110.8
142A39.5Very low43.9Very low95 Ų95130.7 Ų130.779%0.78578%0.782SS**  44.2104.363.500000112.5
143I44.3Very low43.6Very low178 Ų178125.1 Ų125.191%0.91377%0.765SS**  trans-178.4133.9152.8-86.2141000109.2
144G45.3Very low43.8Very low66 Ų66129.1 Ų129.168%0.6876%0.763SS**  trans101.774.4156.300000114.5
145D40.4Very low43.4Very low168 Ų168129 Ų12990%0.89876%0.763SS**  70.6133.160.6-156.322.9000113.4
146A45.9Very low43.2Very low82 Ų82129.2 Ų129.268%0.67876%0.759SS**  trans-88.3149.6-160.800000112.4
147D44.1Very low43Very low141 Ų141127.8 Ų127.875%0.75476%0.757SS**  trans173.1146.7156.9-117.1-8.6000108.4
148E46.2Very low42.7Very low164 Ų164128.3 Ų128.377%0.76675%0.751SS**  cis-166.4152.2-1.6-156.5169.4171.100106.2
149S53.1Low43.4Very low107 Ų107129.9 Ų129.975%0.74875%0.751SS**  trans-50.5178.9164.1-130.10000112.7
150P48.9Very low43.9Very low104 Ų104134 Ų13468%0.67575%0.753SS**  cis-143.5-170.832.938.3-12.5000112.4
151E44.8Very low44.5Very low129 Ų129135.8 Ų135.860%0.60375%0.749SS**  cis177.1137.740.4-144.8177.717600107.2
152R38.4Very low44.6Very low208 Ų208137.9 Ų137.979%0.78575%0.748SS**  62.5140.6128.4-82.8-163.9-113.4-1274.1120.8
153T41.1Very low44.7Very low77 Ų77141.8 Ų141.847%0.47275%0.75SS.*  cis-174.1169.58.9-62.10000108.4
154Y49.7Very low45.1Very low203 Ų203140.2 Ų140.280%0.79674%0.743SS**  trans99.3105.3151.4-50.6-70.5000113.2
155D43.9Very low45.5Very low150 Ų150143.8 Ų143.880%0.80275%0.746SS**  82.8144.551.6-158.224.4000112.9
156E46.5Very low46.3Very low165 Ų165141 Ų14177%0.77174%0.735SS**  trans88.2105.4-173.8-71.7177.6153.100116.8
157D42Very low47.2Very low145 Ų145140 Ų14078%0.77573%0.727SS**  73.4107.879.7-90.2-10.9000110.8
158D41.8Very low48.1Very low130 Ų130140.4 Ų140.470%0.69573%0.725SS**  107.1116.982.2-169.921.5000107.8
159T47.2Very low48.7Very low129 Ų129138.6 Ų138.679%0.79172%0.719SS**  152.6137.4128.647.30000113.8
160E46Very low49.5Very low184 Ų184139.3 Ų139.386%0.8671%0.714SS**  trans-68167.8-174.2-63166.3140.800114.8
161D44.5Very low50.5Low139 Ų139137.3 Ų137.374%0.74371%0.707SS**  trans108.3104.2137.1-132.832.5000118.4
162D42.1Very low51.6Low132 Ų132136.3 Ų136.371%0.70670%0.702SS**  trans61.7101145.1-63.6-16.3000121.4
163E43.2Very low53.1Low177 Ų177131.4 Ų131.483%0.82769%0.691SS**  174.4109.3114.1-92.9172.9177.600110.2D165E163-D165 PolarHBondContact O-N 3.35Å
164D51.6Low54.7Low144 Ų144130.6 Ų130.677%0.7769%0.692SS**THydrogen-bonded Turntrans-48.7-4.9-167.9-110.7-26.4000118.4
165D54.8Low55.8Low141 Ų141129.1 Ų129.175%0.75469%0.685SS**THydrogen-bonded Turntrans-92.6-10.9-168-69.7-21.4000114.5E163E163-D165 PolarHBondContact O-N 3.35Å
166T57.3Low57.2Low109 Ų109125.6 Ų125.667%0.66967%0.665SS**THydrogen-bonded Turntrans-98.5-21.7178.452.40000114.4
167A63.4Low58.8Low61 Ų61125 Ų12550%0.50466%0.66SS.*Hα-helixtrans-70.3-34.3179.600000112.4L169 L170 A171A167-L169 VanDerWaalsContact C-N 3.29Å; A167-L169 PolarHBondContact O-N 2.65Å; A167-L170 PolarHBondContact O-N 2.85Å; A167-A171 PolarHBondContact O-N 3.47Å; A167-A171 VanDerWaalsContact O-N 3.12Å
168E63.5Low60.6Low150 Ų150121 Ų12170%0.70165%0.647SS**Hα-helixtrans-66.6-31.7-178.9-153.6159.1-155.400111.8E172E168-E172 PolarHBondContact O-N 3.32Å; E168-E172 VanDerWaalsContact O-N 3.16Å
169L59.9Low62.6Low126 Ų126121 Ų12166%0.6664%0.642SS**Hα-helixtrans-72.6-34.1176.8-107162000113.8A167 L173A167-L169 VanDerWaalsContact C-N 3.29Å; A167-L169 PolarHBondContact O-N 2.65Å; L169-L173 PolarHBondContact O-N 2.9Å; L169-L173 VanDerWaalsContact O-N 3.17Å
170L68.6Low64.3Low123 Ų123123.3 Ų123.364%0.64464%0.637SS**Hα-helixtrans-76.2-33175.7-75.1175.1000112.2A167 L173 A174A167-L170 PolarHBondContact O-N 2.85Å; L170-L173 HydrophobicContact CD2-CD1 4.4Å; L170-L173 PolarHBondContact O-N 3.14Å; L170-A174 WeakPolarHBondContact O-CB 3.3Å; L170-A174 PolarHBondContact O-N 3.18Å
171A69.6Low65.9Low62 Ų62121.1 Ų121.151%0.51263%0.627SS.*Hα-helixtrans-64.2-41.1172.700000111.6A167 A174 R175A167-A171 PolarHBondContact O-N 3.47Å; A167-A171 VanDerWaalsContact O-N 3.12Å; A171-A174 PolarHBondContact O-N 3.23Å; A171-R175 WeakPolarHBondContact O-CB 3.33Å; A171-R175 PolarHBondContact O-N 3.09Å
172E68.8Low67.7Low108 Ų108117.5 Ų117.551%0.50562%0.616SS.*Hα-helixtrans-65.8-39.2175.3-156.969.2-162.600111.3E168 R175 I176E168-E172 PolarHBondContact O-N 3.32Å; E168-E172 VanDerWaalsContact O-N 3.16Å; E172-R175 PolarHBondContact O-N 3.08Å; E172-I176 HydrophobicContact CG-CD1 4.41Å; E172-I176 VanDerWaalsContact O-CG1 3.27Å; E172-I176 WeakPolarHBondContact O-CG1 3.31Å; E172-I176 PolarHBondContact O-N 3.46Å
173L70.3Confident69.6Low105 Ų105117.8 Ų117.855%0.5561%0.613SS.*Hα-helixtrans-65.7-39.9173.8-82.9175.6000113.1L169 L170 R175 I176 K177L169-L173 PolarHBondContact O-N 2.9Å; L169-L173 VanDerWaalsContact O-N 3.17Å; L170-L173 HydrophobicContact CD2-CD1 4.4Å; L170-L173 PolarHBondContact O-N 3.14Å; L173-R175 VanDerWaalsContact C-N 3.32Å; L173-I176 PolarHBondContact O-N 2.9Å; L173-K177 WeakPolarHBondContact O-CB 3.45Å; L173-K177 PolarHBondContact O-N 3.25Å
174A74.6Confident71.6Confident59 Ų59116 Ų11649%0.48860%0.602SS.*Hα-helixtrans-64.9-39176.400000111.3L170 A171 K177 A178L170-A174 WeakPolarHBondContact O-CB 3.3Å; L170-A174 PolarHBondContact O-N 3.18Å; A171-A174 PolarHBondContact O-N 3.23Å; A174-K177 PolarHBondContact O-N 3.24Å; A174-A178 WeakPolarHBondContact O-CB 3.47Å; A174-A178 PolarHBondContact O-N 3.08Å
175R73.4Confident73.2Confident173 Ų173111.9 Ų111.965%0.65359%0.589SS**Hα-helixtrans-66.2-44.3175.1-171-178.7164.6146.4-0.9112A171 E172 L173 K177 A178 E179A171-R175 WeakPolarHBondContact O-CB 3.33Å; A171-R175 PolarHBondContact O-N 3.09Å; E172-R175 PolarHBondContact O-N 3.08Å; L173-R175 VanDerWaalsContact C-N 3.32Å; R175-K177 VanDerWaalsContact C-N 3.31Å; R175-K177 PolarHBondContact O-N 2.88Å; R175-A178 PolarHBondContact O-N 3.21Å; R175-E179 WeakPolarHBondContact O-CB 3.32Å; R175-E179 PolarHBondContact O-N 3.32Å
176I72.2Confident74.7Confident75 Ų75108.2 Ų108.239%0.38558%0.578SS.*Hα-helixtrans-63.2-37.9175.6-68.1166.1000111.2E172 L173 R180E172-I176 HydrophobicContact CG-CD1 4.41Å; E172-I176 VanDerWaalsContact O-CG1 3.27Å; E172-I176 WeakPolarHBondContact O-CG1 3.31Å; E172-I176 PolarHBondContact O-N 3.46Å; L173-I176 PolarHBondContact O-N 2.9Å; I176-R180 WeakPolarHBondContact O-CB 3.34Å; I176-R180 PolarHBondContact O-N 3.02Å
177K79.3Confident76Confident153 Ų153108.5 Ų108.567%0.66557%0.571SS**Hα-helixtrans-69.3-42.9177.8-166.9178.2178.6-174.70111.7L173 A174 R175 R180 E181L173-K177 WeakPolarHBondContact O-CB 3.45Å; L173-K177 PolarHBondContact O-N 3.25Å; A174-K177 PolarHBondContact O-N 3.24Å; R175-K177 VanDerWaalsContact C-N 3.31Å; R175-K177 PolarHBondContact O-N 2.88Å; K177-R180 PolarHBondContact O-N 3.45Å; K177-E181 VanDerWaalsContact O-CB 3.31Å; K177-E181 WeakPolarHBondContact O-CB 3.19Å; K177-E181 PolarHBondContact O-N 2.88Å
178A80.9Confident77.1Confident60 Ų60109.1 Ų109.150%0.49656%0.564SS.*Hα-helixtrans-65.3-39.8176.300000112.3A174 R175 E181 A182A174-A178 WeakPolarHBondContact O-CB 3.47Å; A174-A178 PolarHBondContact O-N 3.08Å; R175-A178 PolarHBondContact O-N 3.21Å; A178-E181 PolarHBondContact O-N 2.91Å; A178-A182 WeakPolarHBondContact O-CB 3.07Å; A178-A182 PolarHBondContact O-N 2.92Å
179E83.2Confident78.2Confident130 Ų130104.7 Ų104.761%0.60755%0.553SS**Hα-helixtrans-66.3-43.2176.5-172.8170.4-158.400111.6R175 A182 E183R175-E179 WeakPolarHBondContact O-CB 3.32Å; R175-E179 PolarHBondContact O-N 3.32Å; E179-A182 PolarHBondContact O-N 3.37Å; E179-E183 PolarHBondContact O-N 3.39Å
180R82.5Confident79.5Confident179 Ų179104.1 Ų104.168%0.67555%0.545SS*.Hα-helixtrans-67.5-34.7175.3-79.6-158177151.62.6113.9I176 K177 K184I176-R180 WeakPolarHBondContact O-CB 3.34Å; I176-R180 PolarHBondContact O-N 3.02Å; K177-R180 PolarHBondContact O-N 3.45Å; R180-K184 VanDerWaalsContact O-CB 3.29Å; R180-K184 WeakPolarHBondContact O-CB 3.41Å; R180-K184 PolarHBondContact O-N 3.31Å
181E81.2Confident80.4Confident138 Ų138104.5 Ų104.565%0.64554%0.538SS*.Hα-helixtrans-69.4-38.8176.9-169.3165.8-160.400111K177 A178 K184 A185K177-E181 VanDerWaalsContact O-CB 3.31Å; K177-E181 WeakPolarHBondContact O-CB 3.19Å; K177-E181 PolarHBondContact O-N 2.88Å; A178-E181 PolarHBondContact O-N 2.91Å; E181-K184 PolarHBondContact O-N 3.28Å; E181-A185 WeakPolarHBondContact O-CB 3.5Å; E181-A185 PolarHBondContact O-N 3.28Å
182A82.2Confident81.2Confident62 Ų62106.7 Ų106.751%0.51254%0.538SS..Hα-helixtrans-66.3-43173.600000112.9A178 E179 A185 A186A178-A182 WeakPolarHBondContact O-CB 3.07Å; A178-A182 PolarHBondContact O-N 2.92Å; E179-A182 PolarHBondContact O-N 3.37Å; A182-A185 PolarHBondContact O-N 3.33Å; A182-A186 WeakPolarHBondContact O-CB 3.47Å; A182-A186 PolarHBondContact O-N 2.86Å
183E81.6Confident82.2Confident139 Ų139103.7 Ų103.765%0.6553%0.532SS*.Hα-helixtrans-64-41.8176-172.6178.2-160.300111.5E179 A186 E187E179-E183 PolarHBondContact O-N 3.39Å; E183-A186 PolarHBondContact O-N 2.94Å; E183-E187 PolarHBondContact O-N 2.99Å
184K85.4Confident83Confident138 Ų138103.2 Ų103.260%0.653%0.526SS*.Hα-helixtrans-65.3-40.5176.2-170.5-177.1176.3-165.70112.2R180 E181 A186 E187 E188R180-K184 VanDerWaalsContact O-CB 3.29Å; R180-K184 WeakPolarHBondContact O-CB 3.41Å; R180-K184 PolarHBondContact O-N 3.31Å; E181-K184 PolarHBondContact O-N 3.28Å; K184-A186 VanDerWaalsContact C-N 3.34Å; K184-E187 PolarHBondContact O-N 3.5Å; K184-E188 VanDerWaalsContact CE-OE1 3.27Å; K184-E188 WeakPolarHBondContact CE-OE1 3.48Å; K184-E188 IonicContact NZ-OE1 3.63Å; K184-E188 WeakPolarHBondContact O-CB 3.29Å; K184-E188 PolarHBondContact O-N 2.87Å
185A85.6Confident83.6Confident59 Ų59105.7 Ų105.749%0.48853%0.528SS..Hα-helixtrans-64.7-37.8176.100000112E181 A182 A189E181-A185 WeakPolarHBondContact O-CB 3.5Å; E181-A185 PolarHBondContact O-N 3.28Å; A182-A185 PolarHBondContact O-N 3.33Å; A185-A189 WeakPolarHBondContact O-CB 3.32Å; A185-A189 PolarHBondContact O-N 3.41Å
186A85.4Confident84.3Confident64 Ų64103.3 Ų103.353%0.52952%0.524SS..Hα-helixtrans-67.5-42.1175.300000112.6A182 E183 K184 A189 K190A182-A186 WeakPolarHBondContact O-CB 3.47Å; A182-A186 PolarHBondContact O-N 2.86Å; E183-A186 PolarHBondContact O-N 2.94Å; K184-A186 VanDerWaalsContact C-N 3.34Å; A186-A189 PolarHBondContact O-N 2.92Å; A186-K190 WeakPolarHBondContact O-CB 3.26Å; A186-K190 PolarHBondContact O-N 2.78Å
187E85.2Confident84.9Confident114 Ų114106 Ų10653%0.53354%0.535SS..Hα-helixtrans-68.5-38.8177.3-171.962-156.900112E183 K184 K190 R191E183-E187 PolarHBondContact O-N 2.99Å; K184-E187 PolarHBondContact O-N 3.5Å; E187-K190 PolarHBondContact O-N 3.43Å; E187-R191 WeakPolarHBondContact O-CB 3.16Å; E187-R191 PolarHBondContact O-N 3.16Å
188E86.2Confident85.3Confident75 Ų75103 Ų10335%0.3553%0.525SS..Hα-helixtrans-65.6-39174.2-79.6-178.6-172.800112.2K184 R191 Q192K184-E188 VanDerWaalsContact CE-OE1 3.27Å; K184-E188 WeakPolarHBondContact CE-OE1 3.48Å; K184-E188 IonicContact NZ-OE1 3.63Å; K184-E188 WeakPolarHBondContact O-CB 3.29Å; K184-E188 PolarHBondContact O-N 2.87Å; E188-R191 PolarHBondContact O-N 3Å; E188-Q192 WeakPolarHBondContact O-CB 3.28Å; E188-Q192 VanDerWaalsContact O-CG 3.29Å; E188-Q192 WeakPolarHBondContact O-CG 3.38Å; E188-Q192 PolarHBondContact O-N 2.86Å
189A86.1Confident85.5Confident57 Ų57108.2 Ų108.247%0.47153%0.532SS..Hα-helixtrans-64.1-40.117400000112A185 A186 Q192 A193A185-A189 WeakPolarHBondContact O-CB 3.32Å; A185-A189 PolarHBondContact O-N 3.41Å; A186-A189 PolarHBondContact O-N 2.92Å; A189-Q192 PolarHBondContact O-N 3.49Å; A189-A193 PolarHBondContact O-N 3.42Å; A189-A193 VanDerWaalsContact O-N 3.07Å
190K88Confident85.6Confident113 Ų113106.2 Ų106.249%0.49153%0.529SS..Hα-helixtrans-65.8-44.2175.7-172.4-175169.4-159.20111.8A186 E187 Q192 A193 E194A186-K190 WeakPolarHBondContact O-CB 3.26Å; A186-K190 PolarHBondContact O-N 2.78Å; E187-K190 PolarHBondContact O-N 3.43Å; K190-Q192 PolarHBondContact O-N 3.48Å; K190-A193 PolarHBondContact O-N 3.19Å; K190-E194 WeakPolarHBondContact CE-OE1 3.25Å; K190-E194 WeakPolarHBondContact O-CG 3.36Å; K190-E194 PolarHBondContact O-N 3.21Å
191R87.6Confident85.7Confident131 Ų131102.4 Ų102.449%0.49452%0.522SS..Hα-helixtrans-61.3-42.2175.9-172.2-176.366.2174.9-2.8112E187 E188 A193 E194 E195E187-R191 WeakPolarHBondContact O-CB 3.16Å; E187-R191 PolarHBondContact O-N 3.16Å; E188-R191 PolarHBondContact O-N 3Å; R191-A193 VanDerWaalsContact C-N 3.34Å; R191-A193 PolarHBondContact O-N 3.16Å; R191-E194 PolarHBondContact O-N 2.99Å; R191-E195 IonicContact NE-OE1 3.94Å; R191-E195 WeakPolarHBondContact O-CG 3.42Å; R191-E195 PolarHBondContact O-N 3.18Å
192Q86.3Confident85.8Confident109 Ų109103 Ų10351%0.50952%0.522SS..Hα-helixtrans-62.1-41.5175.9-74.1177.51700111.8E188 A189 K190 E194 E195 E196E188-Q192 WeakPolarHBondContact O-CB 3.28Å; E188-Q192 VanDerWaalsContact O-CG 3.29Å; E188-Q192 WeakPolarHBondContact O-CG 3.38Å; E188-Q192 PolarHBondContact O-N 2.86Å; A189-Q192 PolarHBondContact O-N 3.49Å; K190-Q192 PolarHBondContact O-N 3.48Å; Q192-E194 PolarHBondContact O-N 2.91Å; Q192-E195 PolarHBondContact O-N 3.47Å; Q192-E196 WeakPolarHBondContact O-CG 3.48Å; Q192-E196 PolarHBondContact O-N 2.94Å
193A89.1Confident85.7Confident45 Ų45106.1 Ų106.137%0.37253%0.529SS..Hα-helixtrans-63.6-39.4175.700000112.6A189 K190 R191 E196 Q197A189-A193 PolarHBondContact O-N 3.42Å; A189-A193 VanDerWaalsContact O-N 3.07Å; K190-A193 PolarHBondContact O-N 3.19Å; R191-A193 VanDerWaalsContact C-N 3.34Å; R191-A193 PolarHBondContact O-N 3.16Å; A193-E196 PolarHBondContact O-N 2.87Å; A193-Q197 WeakPolarHBondContact O-CG 3.45Å; A193-Q197 PolarHBondContact O-N 3.43Å
194E86.8Confident85.3Confident94 Ų94105.2 Ų105.244%0.43953%0.528SS..Hα-helixtrans-66.8-41.2175.3-71.1177.3-171.300112K190 R191 Q192 E196 Q197 I198K190-E194 WeakPolarHBondContact CE-OE1 3.25Å; K190-E194 WeakPolarHBondContact O-CG 3.36Å; K190-E194 PolarHBondContact O-N 3.21Å; R191-E194 PolarHBondContact O-N 2.99Å; Q192-E194 PolarHBondContact O-N 2.91Å; E194-E196 PolarHBondContact O-N 3.21Å; E194-Q197 PolarHBondContact O-N 3.02Å; E194-I198 VanDerWaalsContact O-CG1 3.29Å; E194-I198 WeakPolarHBondContact O-CG1 3.5Å; E194-I198 PolarHBondContact O-N 3.25Å
195E88.5Confident84.8Confident112 Ų112105 Ų10552%0.52353%0.529SS..Hα-helixtrans-64.2-37.8175.5-74.2177.3-168.800112.5R191 Q192 I198 R199R191-E195 IonicContact NE-OE1 3.94Å; R191-E195 WeakPolarHBondContact O-CG 3.42Å; R191-E195 PolarHBondContact O-N 3.18Å; Q192-E195 PolarHBondContact O-N 3.47Å; E195-I198 PolarHBondContact O-N 2.93Å; E195-R199 WeakPolarHBondContact O-CB 3.02Å; E195-R199 PolarHBondContact O-N 3.4Å
196E86.3Confident84.2Confident123 Ų123105 Ų10558%0.57553%0.534SS*.Hα-helixtrans-66.8-40173.9-76.4-173.1170.300112.4Q192 A193 E194 R199 V200Q192-E196 WeakPolarHBondContact O-CG 3.48Å; Q192-E196 PolarHBondContact O-N 2.94Å; A193-E196 PolarHBondContact O-N 2.87Å; E194-E196 PolarHBondContact O-N 3.21Å; E196-R199 PolarHBondContact O-N 2.86Å; E196-V200 WeakPolarHBondContact O-CG2 3.35Å; E196-V200 PolarHBondContact O-N 2.98Å
197Q86Confident83.7Confident130 Ų130104.9 Ų104.961%0.60753%0.525SS*.Hα-helixtrans-61.3-45.7173-73.7-18019.500111.5A193 E194 R199 V200 D201A193-Q197 WeakPolarHBondContact O-CG 3.45Å; A193-Q197 PolarHBondContact O-N 3.43Å; E194-Q197 PolarHBondContact O-N 3.02Å; Q197-R199 VanDerWaalsContact C-N 3.28Å; Q197-R199 PolarHBondContact O-N 2.92Å; Q197-V200 PolarHBondContact O-N 3.38Å; Q197-D201 PolarHBondContact O-N 3.45Å
198I86.7Confident83.1Confident91 Ų91104.3 Ų104.347%0.46753%0.531SS..Hα-helixtrans-62.9-36.7176.7-65.4163.7000111.1E194 E195 K202E194-I198 VanDerWaalsContact O-CG1 3.29Å; E194-I198 WeakPolarHBondContact O-CG1 3.5Å; E194-I198 PolarHBondContact O-N 3.25Å; E195-I198 PolarHBondContact O-N 2.93Å; I198-K202 HydrophobicContact CG2-CD 4.31Å; I198-K202 WeakPolarHBondContact O-CB 3.45Å; I198-K202 WeakPolarHBondContact O-CG 3.43Å; I198-K202 PolarHBondContact O-N 3.35Å
199R85.4Confident82.2Confident169 Ų169107.7 Ų107.764%0.63855%0.551SS**Hα-helixtrans-65.3-45175.6-179.4-176.6-85.7155.5-5.6111E195 E196 Q197 K202 I203E195-R199 WeakPolarHBondContact O-CB 3.02Å; E195-R199 PolarHBondContact O-N 3.4Å; E196-R199 PolarHBondContact O-N 2.86Å; Q197-R199 VanDerWaalsContact C-N 3.28Å; Q197-R199 PolarHBondContact O-N 2.92Å; R199-K202 PolarHBondContact O-N 3.21Å; R199-I203 HydrophobicContact CG-CD1 4.04Å; R199-I203 VanDerWaalsContact O-CG1 3.3Å; R199-I203 WeakPolarHBondContact O-CG1 3.05Å; R199-I203 PolarHBondContact O-N 3.47Å
200V85.1Confident81.2Confident89 Ų89110.9 Ų110.954%0.53956%0.559SS.*Hα-helixtrans-63-45177.1171.20000111E196 Q197 K202 I203 L204E196-V200 WeakPolarHBondContact O-CG2 3.35Å; E196-V200 PolarHBondContact O-N 2.98Å; Q197-V200 PolarHBondContact O-N 3.38Å; V200-K202 VanDerWaalsContact C-N 3.35Å; V200-K202 PolarHBondContact O-N 2.81Å; V200-I203 PolarHBondContact O-N 2.89Å; V200-L204 WeakPolarHBondContact O-CB 3.26Å; V200-L204 PolarHBondContact O-N 3.33Å
201D84.1Confident80Confident99 Ų99108.2 Ų108.253%0.52955%0.553SS.*Hα-helixtrans-62.2-40.5178-82.3-7.6000112.2Q197 L204 H205Q197-D201 PolarHBondContact O-N 3.45Å; D201-L204 PolarHBondContact O-N 3.28Å; D201-H205 WeakPolarHBondContact O-CB 3.07Å; D201-H205 PolarHBondContact O-N 3.48Å
202K83.4Confident78.7Confident149 Ų149105.8 Ų105.865%0.64856%0.556SS**Hα-helixtrans-66.2-37.4174.8-79.5177.2-175.4172.60113.1I198 R199 V200 L204 G206I198-K202 HydrophobicContact CG2-CD 4.31Å; I198-K202 WeakPolarHBondContact O-CB 3.45Å; I198-K202 WeakPolarHBondContact O-CG 3.43Å; I198-K202 PolarHBondContact O-N 3.35Å; R199-K202 PolarHBondContact O-N 3.21Å; V200-K202 VanDerWaalsContact C-N 3.35Å; V200-K202 PolarHBondContact O-N 2.81Å; K202-L204 VanDerWaalsContact C-N 3.33Å; K202-G206 VanDerWaalsContact O-CA 3.24Å; K202-G206 WeakPolarHBondContact O-CA 2.99Å; K202-G206 PolarHBondContact O-N 2.99Å
203I80.1Confident77.4Confident129 Ų129105.9 Ų105.966%0.66256%0.564SS**Hα-helixtrans-67-39.6176-68165.3000110.1R199 V200R199-I203 HydrophobicContact CG-CD1 4.04Å; R199-I203 VanDerWaalsContact O-CG1 3.3Å; R199-I203 WeakPolarHBondContact O-CG1 3.05Å; R199-I203 PolarHBondContact O-N 3.47Å; V200-I203 PolarHBondContact O-N 2.89Å
204L74.9Confident76.2Confident120 Ų120112.3 Ų112.363%0.62858%0.583SS**Hα-helixtrans-70.7-43.5179.2-162.975.8000112.4V200 D201 K202V200-L204 WeakPolarHBondContact O-CB 3.26Å; V200-L204 PolarHBondContact O-N 3.33Å; D201-L204 PolarHBondContact O-N 3.28Å; K202-L204 VanDerWaalsContact C-N 3.33Å
205H74.6Confident74.9Confident133 Ų133117.1 Ų117.162%0.61661%0.606SS**Hα-helixtrans-88.1-13.3-179.1-96.875000114.7D201 N207 T211D201-H205 WeakPolarHBondContact O-CB 3.07Å; D201-H205 PolarHBondContact O-N 3.48Å; H205-N207 PolarHBondContact O-N 3.49Å; H205-T211 HydrophobicContact CB-CG2 4.46Å; H205-T211 WeakPolarHBondContact O-CG2 3.5Å
206G73.3Confident73.7Confident58 Ų58118.3 Ų118.360%0.59862%0.616SS**  trans-74.9-5.1-17700000114.8K202 P208K202-G206 VanDerWaalsContact O-CA 3.24Å; K202-G206 WeakPolarHBondContact O-CA 2.99Å; K202-G206 PolarHBondContact O-N 2.99Å; G206-P208 WeakPolarHBondContact O-CD 3.21Å
207N74.2Confident72.5Confident63 Ų63122 Ų12234%0.33763%0.63SS.*  trans-90104.2175.7-171.3-12.6000111H205 L209 L210 T211H205-N207 PolarHBondContact O-N 3.49Å; N207-L209 PolarHBondContact O-N 3.38Å; N207-L209 VanDerWaalsContact O-N 3.1Å; N207-L209 WeakPolarHBondContact OD1-CB 3.18Å; N207-L209 PolarHBondContact OD1-N 3.3Å; N207-L210 HydrophobicContact CB-CB 4.15Å; N207-L210 HydrophobicContact CB-CD1 3.98Å; N207-L210 HydrophobicContact CB-CG 4.24Å; N207-L210 VanDerWaalsContact ND2-CD1 3.3Å; N207-L210 WeakPolarHBondContact ND2-CD1 3.28Å; N207-L210 PolarHBondContact O-N 2.95Å; N207-T211 PolarHBondContact O-N 3.48Å; N207-T211 VanDerWaalsContact O-N 3.16Å; N207-T211 PolarHBondContact O-OG1 2.89Å; N207-T211 VanDerWaalsContact O-OG1 3.1Å
208P72.7Confident71.7Confident102 Ų102123.6 Ų123.666%0.66264%0.635SS**Hα-helixtrans-64.9-15.2179.628.8-36000113G206 S212G206-P208 WeakPolarHBondContact O-CD 3.21Å; P208-S212 WeakPolarHBondContact O-CB 3.27Å; P208-S212 PolarHBondContact O-OG 2.84Å
209L67Low70.8Confident145 Ų145124.1 Ų124.176%0.75964%0.642SS**Hα-helixtrans-81.5-21.4175.9-157.673.4000112.8N207N207-L209 PolarHBondContact O-N 3.38Å; N207-L209 VanDerWaalsContact O-N 3.1Å; N207-L209 WeakPolarHBondContact OD1-CB 3.18Å; N207-L209 PolarHBondContact OD1-N 3.3Å
210L65.7Low70.2Confident125 Ų125125 Ų12565%0.65465%0.654SS**Hα-helixtrans-101.3-27.3-179.6-71.3171.3000112.7N207N207-L210 HydrophobicContact CB-CB 4.15Å; N207-L210 HydrophobicContact CB-CD1 3.98Å; N207-L210 HydrophobicContact CB-CG 4.24Å; N207-L210 VanDerWaalsContact ND2-CD1 3.3Å; N207-L210 WeakPolarHBondContact ND2-CD1 3.28Å; N207-L210 PolarHBondContact O-N 2.95Å
211T62Low70Confident57 Ų57127.9 Ų127.935%0.3566%0.655SS.*Hα-helixtrans-91.5-8.7178.453.50000113.7H205 N207 T213H205-T211 HydrophobicContact CB-CG2 4.46Å; H205-T211 WeakPolarHBondContact O-CG2 3.5Å; N207-T211 PolarHBondContact O-N 3.48Å; N207-T211 VanDerWaalsContact O-N 3.16Å; N207-T211 PolarHBondContact O-OG1 2.89Å; N207-T211 VanDerWaalsContact O-OG1 3.1Å; T211-T213 PolarHBondContact O-N 2.9Å
212S60.1Low69.7Low79 Ų79131.7 Ų131.755%0.55266%0.662SS**  trans-76.263.216839.10000110.8P208 K214P208-S212 WeakPolarHBondContact O-CB 3.27Å; P208-S212 PolarHBondContact O-OG 2.84Å; S212-K214 PolarHBondContact O-N 3.2Å
213T60.2Low69.9Low111 Ų111134.9 Ų134.968%0.68167%0.67SS**THydrogen-bonded Turntrans-59109.6166.448.30000109.2T211T211-T213 PolarHBondContact O-N 2.9Å
214K62.2Low70.1Confident180 Ų180131.3 Ų131.378%0.78365%0.652SS**THydrogen-bonded Turntrans78.446151.1-50.3168-175.9174.80118.3S212 D216S212-K214 PolarHBondContact O-N 3.2Å; K214-D216 PolarHBondContact O-N 3.05Å
215Q61.5Low70.6Confident195 Ų195130.5 Ų130.591%0.91165%0.649SS**  trans-90.884.1149.7-69.8-160.6-10.100108.9F217Q215-F217 PolarHBondContact O-N 3.41Å
216D62Low71.3Confident138 Ų138130.5 Ų130.574%0.73865%0.653SS**  trans-59.5109.5172.5-69.2-35.6000109K214 K218K214-D216 PolarHBondContact O-N 3.05Å; D216-K218 HydrophobicContact CB-CB 4.44Å; D216-K218 PolarHBondContact O-N 3.01Å
217F61.7Low72Confident200 Ų200131.1 Ų131.188%0.87765%0.645SS**  trans-71.259.5168.4-162.6-94.4000109.7Q215 V219Q215-F217 PolarHBondContact O-N 3.41Å; F217-V219 HydrophobicContact CE1-CG2 4.49Å; F217-V219 PolarHBondContact O-N 3.45Å
218K69.7Low72.8Confident164 Ų164134.2 Ų134.271%0.71367%0.666SS**  trans-81104.4179-167.2169.6-173.7-130.80107.5D216 Q220D216-K218 HydrophobicContact CB-CB 4.44Å; D216-K218 PolarHBondContact O-N 3.01Å; K218-Q220 VanDerWaalsContact C-N 3.35Å; K218-Q220 WeakPolarHBondContact O-CG 3.42Å; K218-Q220 PolarHBondContact O-N 3.42Å
219V68.1Low73.6Confident101 Ų101136.8 Ų136.861%0.61267%0.667SS**  trans-54.3100168.2178.10000107.7F217 R221F217-V219 HydrophobicContact CE1-CG2 4.49Å; F217-V219 PolarHBondContact O-N 3.45Å; V219-R221 WeakPolarHBondContact CG1-O 3.35Å; V219-R221 PolarHBondContact O-N 2.99Å
220Q71.2Confident74.7Confident187 Ų187134.8 Ų134.887%0.87465%0.652SS**SBendtrans-69.6-23.4-171.7-70.4-128.3-15.800112.8K218K218-Q220 VanDerWaalsContact C-N 3.35Å; K218-Q220 WeakPolarHBondContact O-CG 3.42Å; K218-Q220 PolarHBondContact O-N 3.42Å
221R81.8Confident75.7Confident151 Ų151134.7 Ų134.757%0.5765%0.652SS**SBendtrans-140.8125178.9-150.8173.266.287-1.3111V219 D225V219-R221 WeakPolarHBondContact CG1-O 3.35Å; V219-R221 PolarHBondContact O-N 2.99Å; R221-D225 HydrophobicContact CG-CB 3.87Å; R221-D225 WeakPolarHBondContact CG-OD2 3.44Å
222R78.5Confident77Confident178 Ų178136.9 Ų136.967%0.67267%0.669SS**  trans-78.7149.1175.4-63.2171.468125.60.1108.6D224 D225R222-D224 PolarHBondContact O-N 3.2Å; R222-D224 VanDerWaalsContact O-N 3.14Å; R222-D225 WeakPolarHBondContact O-CB 3.48Å; R222-D225 PolarHBondContact O-N 3.38Å
223W86.5Confident78.3Confident216 Ų216136.3 Ų136.382%0.81867%0.669SS**THydrogen-bonded Turntrans-54.6-31.6176.966.6-81000113D225W223-D225 VanDerWaalsContact C-N 3.35Å; W223-D225 PolarHBondContact O-N 3.09Å
224D85.3Confident79.6Confident55 Ų55139.5 Ų139.529%0.29467%0.674SS.*THydrogen-bonded Turntrans-76.8-9.2178.4-69.1-51.9000115.3R222 D226 V227 K230R222-D224 PolarHBondContact O-N 3.2Å; R222-D224 VanDerWaalsContact O-N 3.14Å; D224-D226 VanDerWaalsContact C-N 3.32Å; D224-D226 PolarHBondContact O-N 2.93Å; D224-V227 WeakPolarHBondContact O-CG2 3.49Å; D224-V227 PolarHBondContact O-N 3.23Å; D224-K230 PolarHBondContact O-NZ 2.73Å
225D85.4Confident80.6Confident103 Ų103134.7 Ų134.755%0.55168%0.675SS**THydrogen-bonded Turntrans-66.8-34.1-165.6-158.728000112.4R221 R222 W223 V227 K230R221-D225 HydrophobicContact CG-CB 3.87Å; R221-D225 WeakPolarHBondContact CG-OD2 3.44Å; R222-D225 WeakPolarHBondContact O-CB 3.48Å; R222-D225 PolarHBondContact O-N 3.38Å; W223-D225 VanDerWaalsContact C-N 3.35Å; W223-D225 PolarHBondContact O-N 3.09Å; D225-V227 VanDerWaalsContact C-N 3.32Å; D225-V227 PolarHBondContact O-N 3.19Å; D225-K230 PolarHBondContact O-NZ 3.38Å
226D87.5Confident81.7Confident132 Ų132130 Ų13071%0.70666%0.655SS**THydrogen-bonded Turntrans-87.814.4-176.2-159.617.2000114.8D224D224-D226 VanDerWaalsContact C-N 3.32Å; D224-D226 PolarHBondContact O-N 2.93Å
227V89.7Confident82.3Confident72 Ų72127 Ų12744%0.43665%0.645SS.*  trans-83.7120175.1-173.40000110.3D224 D225 F229 K230D224-V227 WeakPolarHBondContact O-CG2 3.49Å; D224-V227 PolarHBondContact O-N 3.23Å; D225-V227 VanDerWaalsContact C-N 3.32Å; D225-V227 PolarHBondContact O-N 3.19Å; V227-F229 VanDerWaalsContact C-N 3.28Å; V227-F229 VanDerWaalsContact CG1-O 3.26Å; V227-F229 WeakPolarHBondContact CG1-O 3.11Å; V227-F229 PolarHBondContact O-N 2.69Å; V227-K230 HydrophobicContact CB-CD 4.42Å; V227-K230 WeakPolarHBondContact O-CD 3.44Å; V227-K230 WeakPolarHBondContact O-CE 3.34Å; V227-K230 PolarHBondContact O-NZ 3.14Å
228V89.5Confident82.7Confident127 Ų127126.8 Ų126.877%0.7765%0.647SS**SBendtrans-66.2-22.8-178.2-62.40000114.7
229F91.1Very high82.4Confident156 Ų156126.9 Ų126.968%0.68465%0.647SS**SBendtrans-113.8122.5175.1-63.1-67.4000110.6V227V227-F229 VanDerWaalsContact C-N 3.28Å; V227-F229 VanDerWaalsContact CG1-O 3.26Å; V227-F229 WeakPolarHBondContact CG1-O 3.11Å; V227-F229 PolarHBondContact O-N 2.69Å
230K89.6Confident81.9Confident104 Ų104130.4 Ų130.445%0.45266%0.655SS.*  trans-110.8131.2174.9-53.7-56-164.6-153.60110.2D224 D225 V227 C232D224-K230 PolarHBondContact O-NZ 2.73Å; D225-K230 PolarHBondContact O-NZ 3.38Å; V227-K230 HydrophobicContact CB-CD 4.42Å; V227-K230 WeakPolarHBondContact O-CD 3.44Å; V227-K230 WeakPolarHBondContact O-CE 3.34Å; V227-K230 PolarHBondContact O-NZ 3.14Å; K230-C232 VanDerWaalsContact C-N 3.32Å; K230-C232 PolarHBondContact O-N 3.19Å
231N87Confident81.6Confident122 Ų122124 Ų12465%0.65263%0.631SS**  trans43.646.2161.5-57.523.6000115.9A233 K234N231-A233 PolarHBondContact O-N 2.9Å; N231-K234 HydrophobicContact CB-CB 4.12Å; N231-K234 WeakPolarHBondContact O-CB 3.28Å; N231-K234 PolarHBondContact O-N 3.21Å
232C88.8Confident81.1Confident103 Ų103123.7 Ų123.770%0.69664%0.635SS**THydrogen-bonded Turntrans-57.9-22.9-175.3-55.70000114.5K230K230-C232 VanDerWaalsContact C-N 3.32Å; K230-C232 PolarHBondContact O-N 3.19Å
233A86.2Confident81.1Confident68 Ų68122 Ų12256%0.56265%0.647SS**THydrogen-bonded Turntrans-104.814.9179.800000114.2N231 G235 I236N231-A233 PolarHBondContact O-N 2.9Å; A233-G235 PolarHBondContact O-N 3.38Å; A233-G235 VanDerWaalsContact O-N 3.13Å; A233-I236 HydrophobicContact CB-CD1 4.15Å; A233-I236 PolarHBondContact O-N 3.41Å; A233-I236 VanDerWaalsContact O-N 3.16Å
234K87.7Confident81.1Confident178 Ų178115.8 Ų115.877%0.77463%0.633SS**THydrogen-bonded Turntrans-64117.9179.3-170.7175.4179.8-177.50110.2N231N231-K234 HydrophobicContact CB-CB 4.12Å; N231-K234 WeakPolarHBondContact O-CB 3.28Å; N231-K234 PolarHBondContact O-N 3.21Å
235G84.4Confident81.4Confident79 Ų79121.5 Ų121.581%0.81466%0.656SS**THydrogen-bonded Turntrans92.4-3.9179.400000115A233 S237A233-G235 PolarHBondContact O-N 3.38Å; A233-G235 VanDerWaalsContact O-N 3.13Å; G235-S237 PolarHBondContact O-N 3.34Å
236I83.2Confident81.8Confident95 Ų95119.4 Ų119.449%0.48764%0.644SS.*  trans-78.492.8171.1-55.3178.7000107.6A233 K240A233-I236 HydrophobicContact CB-CD1 4.15Å; A233-I236 PolarHBondContact O-N 3.41Å; A233-I236 VanDerWaalsContact O-N 3.16Å; I236-K240 HydrophobicContact CG2-CG 4.35Å
237S76.3Confident82.1Confident77 Ų77120.3 Ų120.354%0.53865%0.649SS.*  trans-60.8141.7170.275.80000109.3G235 K239G235-S237 PolarHBondContact O-N 3.34Å; S237-K239 PolarHBondContact O-N 3.37Å
238E69.3Low82.3Confident195 Ų195118.8 Ų118.891%0.91164%0.638SS**SBendtrans-59.3-5.4-178.2-65-177.2169.600114.3K240E238-K240 PolarHBondContact O-N 3.14Å
239K62.5Low82.6Confident166 Ų166116.6 Ų116.672%0.72263%0.634SS**  trans-73.250.4173.4-56.9-178.4-179.1-179.20112.1S237 S241S237-K239 PolarHBondContact O-N 3.37Å; K239-S241 PolarHBondContact O-N 3.07Å
240K58.9Low82.7Confident175 Ų175114.8 Ų114.876%0.76163%0.63SS**SBendtrans-63.1-8.3-178-70.7-173.1176.8-179.50114.4I236 E238I236-K240 HydrophobicContact CG2-CG 4.35Å; E238-K240 PolarHBondContact O-N 3.14Å
241S64.3Low82.9Confident53 Ų53118 Ų11837%0.37164%0.64SS.*SBendtrans-146.8116.7161.260.40000106.9K239K239-S241 PolarHBondContact O-N 3.07Å
242E71.1Confident83.2Confident144 Ų144113.3 Ų113.367%0.67362%0.617SS**  trans-51.2154.1158.3-66.3-171.6158.900108.8T244E242-T244 PolarHBondContact O-N 3.47Å; E242-T244 PolarHBondContact O-OG1 3.08Å
243P79.3Confident83.3Confident141 Ų141111.1 Ų111.192%0.91660%0.596SS**SBendtrans-66.776.7176.429.2-35.4000109.8
244T86.8Confident83.6Confident86 Ų86115.2 Ų115.253%0.52860%0.602SS.*  trans-95.4120178.7-51.60000107.5E242 I246E242-T244 PolarHBondContact O-N 3.47Å; E242-T244 PolarHBondContact O-OG1 3.08Å; T244-I246 HydrophobicContact CG2-CG1 4.18Å
245F91.5Very high83.9Confident176 Ų176108.8 Ų108.877%0.77257%0.574SS**  trans-86.4123.2168.6178.2-100.6000109.1N247F245-N247 HydrophobicContact CE1-CB 4.07Å
246I92.4Very high84.4Confident58 Ų58110 Ų11030%0.29756%0.557SS.*  trans-111.1121.4174.3-55.5175.6000107T244 D248 R251T244-I246 HydrophobicContact CG2-CG1 4.18Å; I246-D248 HydrophobicContact CG2-CB 3.81Å; I246-D248 PolarHBondContact O-N 3.18Å; I246-R251 HydrophobicContact CG2-CB 4.39Å
247N94.1Very high84.9Confident152 Ų152111.3 Ų111.381%0.81356%0.559SS**SBendtrans-76.960.6174.4-171.619000111F245F245-N247 HydrophobicContact CE1-CB 4.07Å
248D95Very high85.8Confident40 Ų40111.7 Ų111.721%0.21455%0.551CS.*  trans-151.1122.8177.8-177.6-16.7000108.9I246 L250 R251 S252I246-D248 HydrophobicContact CG2-CB 3.81Å; I246-D248 PolarHBondContact O-N 3.18Å; D248-L250 VanDerWaalsContact C-N 3.26Å; D248-L250 PolarHBondContact O-N 2.82Å; D248-L250 PolarHBondContact OD1-N 3.18Å; D248-R251 HydrophobicContact CB-CB 4.11Å; D248-R251 PolarHBondContact OD1-N 3.07Å; D248-R251 WeakPolarHBondContact OD2-CB 3.31Å; D248-R251 WeakPolarHBondContact OD2-CD 3.08Å; D248-R251 WeakPolarHBondContact OD2-CG 3.33Å; D248-R251 IonicContact OD2-CZ 4Å; D248-R251 IonicContact OD2-NE 2.63Å; D248-R251 IonicContact OD2-NH1 3.41Å; D248-R251 PolarHBondContact OD2-NH1 2.64Å; D248-S252 WeakPolarHBondContact O-CB 3.5Å; D248-S252 PolarHBondContact O-N 3.14Å; D248-S252 VanDerWaalsContact O-N 3.09Å
249A94.5Very high87.1Confident81 Ų81105.4 Ų105.467%0.66952%0.523SS*.THydrogen-bonded Turntrans-67.1-22.5-177.700000113.8H255A249-H255 WeakPolarHBondContact O-CB 3.23Å; A249-H255 PolarHBondContact O-ND1 2.69Å
250L94.7Very high88.7Confident118 Ų118105 Ų10562%0.61852%0.524SS*.THydrogen-bonded Turntrans-99.8-30-178-59.8-178.6000112.8D248 H255D248-L250 VanDerWaalsContact C-N 3.26Å; D248-L250 PolarHBondContact O-N 2.82Å; D248-L250 PolarHBondContact OD1-N 3.18Å; L250-H255 PolarHBondContact O-CD2 3.47Å
251R92.4Very high90.5Very high170 Ų170104.2 Ų104.264%0.64252%0.52SS*.THydrogen-bonded Turntrans-94.6-12.9-178.7-64-177.9-172.4107.7-3.6114I246 D248 K256I246-R251 HydrophobicContact CG2-CB 4.39Å; D248-R251 HydrophobicContact CB-CB 4.11Å; D248-R251 PolarHBondContact OD1-N 3.07Å; D248-R251 WeakPolarHBondContact OD2-CB 3.31Å; D248-R251 WeakPolarHBondContact OD2-CD 3.08Å; D248-R251 WeakPolarHBondContact OD2-CG 3.33Å; D248-R251 IonicContact OD2-CZ 4Å; D248-R251 IonicContact OD2-NE 2.63Å; D248-R251 IonicContact OD2-NH1 3.41Å; D248-R251 PolarHBondContact OD2-NH1 2.64Å; R251-K256 VanDerWaalsContact O-CE 3.32Å; R251-K256 WeakPolarHBondContact O-CE 3.47Å
252S93Very high92Very high25 Ų25108.8 Ų108.818%0.17553%0.53CS..SBendtrans-55.5140.4175.1177.10000111.3D248 F254 H255 K256D248-S252 WeakPolarHBondContact O-CB 3.5Å; D248-S252 PolarHBondContact O-N 3.14Å; D248-S252 VanDerWaalsContact O-N 3.09Å; S252-F254 PolarHBondContact O-N 3.45Å; S252-F254 VanDerWaalsContact O-N 3.14Å; S252-F254 WeakPolarHBondContact OG-CB 3.47Å; S252-F254 PolarHBondContact OG-N 3.31Å; S252-H255 WeakPolarHBondContact O-CB 3.43Å; S252-H255 PolarHBondContact O-N 3.42Å; S252-K256 PolarHBondContact O-N 3.44Å; S252-K256 VanDerWaalsContact O-N 3.08Å
253E91.4Very high93.2Very high57 Ų57107.3 Ų107.327%0.26653%0.526SS..Hα-helixtrans-55.3-29.5172.3-65.7-55.9125.300111.8K256 K257E253-K256 IonicContact OE1-NZ 3.59Å; E253-K256 PolarHBondContact OE1-NZ 3.3Å; E253-K257 WeakPolarHBondContact O-CB 3.32Å; E253-K257 VanDerWaalsContact O-CG 3.29Å; E253-K257 WeakPolarHBondContact O-CG 3.46Å; E253-K257 PolarHBondContact O-N 3.15Å; E253-K257 VanDerWaalsContact O-N 3.08Å
254F93Very high93.7Very high154 Ų154113.7 Ų113.768%0.67554%0.539SS*.Hα-helixtrans-59.7-47.4171.6174.2-97.5000111.7S252 F258S252-F254 PolarHBondContact O-N 3.45Å; S252-F254 VanDerWaalsContact O-N 3.14Å; S252-F254 WeakPolarHBondContact OG-CB 3.47Å; S252-F254 PolarHBondContact OG-N 3.31Å; F254-F258 VanDerWaalsContact O-CB 3.32Å; F254-F258 WeakPolarHBondContact O-CB 3.35Å; F254-F258 PolarHBondContact O-N 3.27Å
255H94.9Very high94Very high42 Ų42115.1 Ų115.119%0.19454%0.54CS..Hα-helixtrans-70.7-40.7-177.8-172.283.1000112.2A249 L250 S252 K257 F258 M259A249-H255 WeakPolarHBondContact O-CB 3.23Å; A249-H255 PolarHBondContact O-ND1 2.69Å; L250-H255 PolarHBondContact O-CD2 3.47Å; S252-H255 WeakPolarHBondContact O-CB 3.43Å; S252-H255 PolarHBondContact O-N 3.42Å; H255-K257 PolarHBondContact O-N 2.74Å; H255-F258 WeakPolarHBondContact O-CB 3.3Å; H255-F258 PolarHBondContact O-N 2.86Å; H255-M259 WeakPolarHBondContact CE1-CE 3.29Å; H255-M259 WeakPolarHBondContact O-CG 3.5Å; H255-M259 PolarHBondContact O-N 2.77Å
256K93.3Very high94.2Very high105 Ų105111.9 Ų111.946%0.45753%0.528SS..Hα-helixtrans-56.5-49.9174.3-65178.6-172.5167.10111.3R251 S252 E253 F258 M259 E260R251-K256 VanDerWaalsContact O-CE 3.32Å; R251-K256 WeakPolarHBondContact O-CE 3.47Å; S252-K256 PolarHBondContact O-N 3.44Å; S252-K256 VanDerWaalsContact O-N 3.08Å; E253-K256 IonicContact OE1-NZ 3.59Å; E253-K256 PolarHBondContact OE1-NZ 3.3Å; K256-F258 VanDerWaalsContact C-N 3.34Å; K256-F258 PolarHBondContact O-N 3.06Å; K256-M259 PolarHBondContact O-N 3.14Å; K256-E260 WeakPolarHBondContact O-CB 3.36Å; K256-E260 PolarHBondContact O-N 2.97Å
257K93.7Very high94.3Very high122 Ų122114.9 Ų114.953%0.5354%0.54SS..Hα-helixtrans-64.8-36.2176.8-71.5177-178.2179.60112.8E253 H255 K261E253-K257 WeakPolarHBondContact O-CB 3.32Å; E253-K257 VanDerWaalsContact O-CG 3.29Å; E253-K257 WeakPolarHBondContact O-CG 3.46Å; E253-K257 PolarHBondContact O-N 3.15Å; E253-K257 VanDerWaalsContact O-N 3.08Å; H255-K257 PolarHBondContact O-N 2.74Å; K257-K261 VanDerWaalsContact O-CB 3.26Å; K257-K261 WeakPolarHBondContact O-CB 3.36Å; K257-K261 PolarHBondContact O-N 3.04Å
258F95.8Very high94.3Very high85 Ų85112.7 Ų112.737%0.37352%0.524SS..Hα-helixtrans-62.3-49.1174.9177.3-84.8000110.6F254 H255 K256 K261 Y262F254-F258 VanDerWaalsContact O-CB 3.32Å; F254-F258 WeakPolarHBondContact O-CB 3.35Å; F254-F258 PolarHBondContact O-N 3.27Å; H255-F258 WeakPolarHBondContact O-CB 3.3Å; H255-F258 PolarHBondContact O-N 2.86Å; K256-F258 VanDerWaalsContact C-N 3.34Å; K256-F258 PolarHBondContact O-N 3.06Å; F258-K261 PolarHBondContact O-N 2.98Å; F258-Y262 HydrophobicContact CD1-CD2 4.21Å; F258-Y262 AromaticContact CD2-CD2 3.51Å; F258-Y262 HydrophobicContact CD2-CD2 3.51Å; F258-Y262 AromaticContact CD2-CE2 3.55Å; F258-Y262 HydrophobicContact CD2-CE2 3.55Å; F258-Y262 HydrophobicContact CE1-CD2 4.13Å; F258-Y262 AromaticContact CE2-CD2 3.41Å; F258-Y262 HydrophobicContact CE2-CD2 3.41Å; F258-Y262 VanDerWaalsContact CE2-CD2 3.41Å; F258-Y262 AromaticContact CE2-CE2 3.46Å; F258-Y262 HydrophobicContact CE2-CE2 3.46Å; F258-Y262 VanDerWaalsContact CE2-CE2 3.46Å; F258-Y262 HydrophobicContact CE2-CG 4.35Å; F258-Y262 AromaticContact CG-CD2 3.92Å; F258-Y262 HydrophobicContact CG-CD2 3.92Å; F258-Y262 HydrophobicContact CG-CE2 4.36Å; F258-Y262 AromaticContact CZ-CD2 3.74Å; F258-Y262 HydrophobicContact CZ-CD2 3.74Å; F258-Y262 HydrophobicContact CZ-CE2 4.21Å; F258-Y262 HydrophobicContact CZ-CG 4.31Å; F258-Y262 VanDerWaalsContact O-CD2 3.28Å; F258-Y262 WeakPolarHBondContact O-CD2 3.23Å; F258-Y262 PolarHBondContact O-N 3.36Å
259M96.9Very high94.2Very high64 Ų64117.3 Ų117.332%0.31554%0.544SS..Hα-helixtrans-67-40.5179.6-66-56.4161.200112.1H255 K256 K261 Y262 I263H255-M259 WeakPolarHBondContact CE1-CE 3.29Å; H255-M259 WeakPolarHBondContact O-CG 3.5Å; H255-M259 PolarHBondContact O-N 2.77Å; K256-M259 PolarHBondContact O-N 3.14Å; M259-K261 VanDerWaalsContact C-N 3.25Å; M259-K261 PolarHBondContact O-N 3.3Å; M259-Y262 PolarHBondContact O-N 3.38Å; M259-I263 HydrophobicContact CB-CD1 4.45Å; M259-I263 WeakPolarHBondContact O-CB 3.49Å; M259-I263 PolarHBondContact O-N 3.38Å; M259-I263 HydrophobicContact SD-CD1 3.45Å; M259-I263 WeakPolarHBondContact SD-CD1 3.46Å; M259-I263 HydrophobicContact SD-CG1 4.17Å
260E95.3Very high94.2Very high158 Ų158119.7 Ų119.774%0.73854%0.535SS*.Hα-helixtrans-58.7-34.8172.4-176.2-178.5-175.500112.8K256K256-E260 WeakPolarHBondContact O-CB 3.36Å; K256-E260 PolarHBondContact O-N 2.97Å
261K96.6Very high94.2Very high158 Ų158119.8 Ų119.869%0.68753%0.529SS*.Hα-helixtrans-80.3-40.5-178.7-176.2176.4-179.3-1770113.5K257 F258 M259K257-K261 VanDerWaalsContact O-CB 3.26Å; K257-K261 WeakPolarHBondContact O-CB 3.36Å; K257-K261 PolarHBondContact O-N 3.04Å; F258-K261 PolarHBondContact O-N 2.98Å; M259-K261 VanDerWaalsContact C-N 3.25Å; M259-K261 PolarHBondContact O-N 3.3Å
262Y97.3Very high94.3Very high149 Ų149115.9 Ų115.958%0.58452%0.521SS*.Hα-helixtrans-101.6-14.6-169.9-70.5-74.7000114F258 M259F258-Y262 HydrophobicContact CD1-CD2 4.21Å; F258-Y262 AromaticContact CD2-CD2 3.51Å; F258-Y262 HydrophobicContact CD2-CD2 3.51Å; F258-Y262 AromaticContact CD2-CE2 3.55Å; F258-Y262 HydrophobicContact CD2-CE2 3.55Å; F258-Y262 HydrophobicContact CE1-CD2 4.13Å; F258-Y262 AromaticContact CE2-CD2 3.41Å; F258-Y262 HydrophobicContact CE2-CD2 3.41Å; F258-Y262 VanDerWaalsContact CE2-CD2 3.41Å; F258-Y262 AromaticContact CE2-CE2 3.46Å; F258-Y262 HydrophobicContact CE2-CE2 3.46Å; F258-Y262 VanDerWaalsContact CE2-CE2 3.46Å; F258-Y262 HydrophobicContact CE2-CG 4.35Å; F258-Y262 AromaticContact CG-CD2 3.92Å; F258-Y262 HydrophobicContact CG-CD2 3.92Å; F258-Y262 HydrophobicContact CG-CE2 4.36Å; F258-Y262 AromaticContact CZ-CD2 3.74Å; F258-Y262 HydrophobicContact CZ-CD2 3.74Å; F258-Y262 HydrophobicContact CZ-CE2 4.21Å; F258-Y262 HydrophobicContact CZ-CG 4.31Å; F258-Y262 VanDerWaalsContact O-CD2 3.28Å; F258-Y262 WeakPolarHBondContact O-CD2 3.23Å; F258-Y262 PolarHBondContact O-N 3.36Å; M259-Y262 PolarHBondContact O-N 3.38Å
263I94.8Very high94.4Very high112 Ų112123.5 Ų123.557%0.57455%0.55SS*.  trans-114.3122.6174.2-53.6-179.9000107.5M259M259-I263 HydrophobicContact CB-CD1 4.45Å; M259-I263 WeakPolarHBondContact O-CB 3.49Å; M259-I263 PolarHBondContact O-N 3.38Å; M259-I263 HydrophobicContact SD-CD1 3.45Å; M259-I263 WeakPolarHBondContact SD-CD1 3.46Å; M259-I263 HydrophobicContact SD-CG1 4.17Å
264K89.9Confident94.7Very high276 Ų276129.5 Ų129.5100%1.258%0.575SS**  trans-102.20178.5-174.7176.3-179179.80111.3

Retrieved 264 of 264 residues in 215.3 ms (Link to these results)