A0A096MIZ5_RAT Loading...

Troponin I1, slow skeletal type

Troponin I is the inhibitory subunit of troponin, the thin filament regulatory complex which confers calcium-sensitivity to striated muscle actomyosin ATPase activity.

AlphaFold DB (Q9WUZ5), UniProt , Accession A0A096MIZ5, Species RAT (Rattus norvegicus, Rat), Gene Tnni1, Length 187 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
1M42.7Very low70.6Confident232 Ų232159.5 Ų159.5100%1.14379%0.79SS**  0113.30-75.4-78.8150.800107.1E3M1-E3 PolarHBondContact O-N 3.28Å
2P56Low72.1Confident121 Ų121153.3 Ų153.379%0.78678%0.784SS**  trans-63.9124.3174.126-30.2000108.4V4P2-V4 PolarHBondContact O-N 2.96Å; P2-V4 VanDerWaalsContact O-N 3.09Å
3E62.2Low73.7Confident182 Ų182148.7 Ų148.785%0.8577%0.773SS**  trans-65.3111.2179.8-168.3156-172.900108.4M1 E5M1-E3 PolarHBondContact O-N 3.28Å; E3-E5 PolarHBondContact O-N 3.23Å
4V70.5Confident75.1Confident129 Ų129148.3 Ų148.378%0.78276%0.757SS**  trans-62.9104.4178.8177.50000107.1P2 R6P2-V4 PolarHBondContact O-N 2.96Å; P2-V4 VanDerWaalsContact O-N 3.09Å; V4-R6 PolarHBondContact O-N 3.11Å
5E63.8Low76.3Confident184 Ų184146.3 Ų146.386%0.8674%0.74SS**  trans-53.7107.3174.5-81-169.4154.700108.7E3 K7E3-E5 PolarHBondContact O-N 3.23Å; E5-K7 PolarHBondContact O-N 3.3Å
6R74.2Confident77.4Confident232 Ų232144.9 Ų144.988%0.87574%0.735SS**  trans-62.8113.2179.2-71.9-178.5178.4126.9-2.8107.8V4 S8V4-R6 PolarHBondContact O-N 3.11Å; R6-S8 PolarHBondContact O-N 3.33Å
7K71.3Confident78.5Confident198 Ų198142.5 Ų142.586%0.86172%0.722SS**  trans-48.9126.1173.6-66.2-178.8-178.9178.50109.2E5 K9E5-K7 PolarHBondContact O-N 3.3Å; K7-K9 PolarHBondContact O-N 3.31Å; K7-K9 VanDerWaalsContact O-N 3.13Å
8S72.4Confident79.5Confident93 Ų93138 Ų13865%0.6570%0.7SS**  trans-59.3120-177.459.80000110.1R6 I10R6-S8 PolarHBondContact O-N 3.33Å; S8-I10 PolarHBondContact O-N 3.41Å
9K84.7Confident80.3Confident225 Ų225136.9 Ų136.998%0.97869%0.69SS**SBendtrans-65.52.8-179.4-61.6-176.3178.9-177.60114.4K7K7-K9 PolarHBondContact O-N 3.31Å; K7-K9 VanDerWaalsContact O-N 3.13Å
10I87.5Confident81.1Confident63 Ų63133.8 Ų133.832%0.32368%0.681SS.*SBendtrans-118.6132.8-172.9-161.8169.6000110.2S8 R14 K15 L18S8-I10 PolarHBondContact O-N 3.41Å; I10-R14 HydrophobicContact CD1-CB 4.23Å; I10-R14 HydrophobicContact CD1-CG 3.59Å; I10-R14 HydrophobicContact CG1-CB 3.72Å; I10-R14 HydrophobicContact CG1-CG 3.51Å; I10-K15 HydrophobicContact CG2-CB 4.41Å; I10-L18 HydrophobicContact CD1-CD1 3.45Å; I10-L18 VanDerWaalsContact CD1-CD1 3.45Å
11T90.8Very high81.9Confident95 Ų95131.7 Ų131.758%0.58367%0.671SS**  trans-65.4149.517663.10000110.3S13 R14 K15T11-S13 PolarHBondContact O-N 3.2Å; T11-R14 PolarHBondContact O-N 2.73Å; T11-R14 VanDerWaalsContact O-N 3.09Å; T11-R14 VanDerWaalsContact OG1-CB 3.32Å; T11-R14 WeakPolarHBondContact OG1-CB 3.49Å; T11-R14 PolarHBondContact OG1-N 2.91Å; T11-K15 PolarHBondContact O-N 2.62Å
12A89.7Confident84.5Confident86 Ų86127.2 Ų127.271%0.71165%0.649SS**Hα-helixtrans-56.6-38.9178.300000112.3K15 L16A12-K15 PolarHBondContact O-N 3.45Å; A12-L16 PolarHBondContact O-N 3.49Å
13S91.9Very high86.5Confident93 Ų93127.5 Ų127.565%0.6564%0.643SS**Hα-helixtrans-60.7-47174.8176.80000111.9T11 K15 L16 M17T11-S13 PolarHBondContact O-N 3.2Å; S13-K15 VanDerWaalsContact C-N 3.35Å; S13-K15 PolarHBondContact O-N 2.97Å; S13-L16 PolarHBondContact O-N 2.97Å; S13-M17 PolarHBondContact O-N 3.43Å
14R93.7Very high88.1Confident143 Ų143121.6 Ų121.654%0.5463%0.625SS.*Hα-helixtrans-64.5-38.9176.8179.763.8178.3-1081.5111.9I10 T11 L16 M17 L18I10-R14 HydrophobicContact CD1-CB 4.23Å; I10-R14 HydrophobicContact CD1-CG 3.59Å; I10-R14 HydrophobicContact CG1-CB 3.72Å; I10-R14 HydrophobicContact CG1-CG 3.51Å; T11-R14 PolarHBondContact O-N 2.73Å; T11-R14 VanDerWaalsContact O-N 3.09Å; T11-R14 VanDerWaalsContact OG1-CB 3.32Å; T11-R14 WeakPolarHBondContact OG1-CB 3.49Å; T11-R14 PolarHBondContact OG1-N 2.91Å; R14-L16 VanDerWaalsContact C-N 3.32Å; R14-L16 PolarHBondContact O-N 3.27Å; R14-M17 PolarHBondContact O-N 3.01Å; R14-L18 HydrophobicContact CG-CD1 4.36Å; R14-L18 WeakPolarHBondContact O-CG 3.45Å; R14-L18 PolarHBondContact O-N 3.37Å
15K93Very high89.4Confident118 Ų118120.2 Ų120.251%0.51361%0.609SS.*Hα-helixtrans-59.6-42.1174.3-172.8177.5-175174.80111.6I10 T11 A12 S13 K19I10-K15 HydrophobicContact CG2-CB 4.41Å; T11-K15 PolarHBondContact O-N 2.62Å; A12-K15 PolarHBondContact O-N 3.45Å; S13-K15 VanDerWaalsContact C-N 3.35Å; S13-K15 PolarHBondContact O-N 2.97Å; K15-K19 WeakPolarHBondContact O-CG 3.45Å; K15-K19 PolarHBondContact O-N 3.41Å; K15-K19 VanDerWaalsContact O-N 3.14Å
16L94Very high91Very high125 Ų125114.3 Ų114.365%0.65459%0.591SS**Hα-helixtrans-66-46.1176.7-17764.8000111.8A12 S13 R14 L18 K19 S20A12-L16 PolarHBondContact O-N 3.49Å; S13-L16 PolarHBondContact O-N 2.97Å; R14-L16 VanDerWaalsContact C-N 3.32Å; R14-L16 PolarHBondContact O-N 3.27Å; L16-L18 VanDerWaalsContact C-N 3.33Å; L16-L18 PolarHBondContact O-N 2.92Å; L16-K19 PolarHBondContact O-N 3.49Å; L16-S20 PolarHBondContact O-N 3.33Å
17M95.7Very high92.1Very high103 Ų103109.2 Ų109.251%0.50758%0.575SS.*Hα-helixtrans-56.9-46.7176.7-178.761.6-179.700111.5S13 R14 K19 S20 L21S13-M17 PolarHBondContact O-N 3.43Å; R14-M17 PolarHBondContact O-N 3.01Å; M17-K19 PolarHBondContact O-N 3.02Å; M17-S20 WeakPolarHBondContact O-CB 3.48Å; M17-S20 PolarHBondContact O-N 3.05Å; M17-L21 HydrophobicContact CE-CD1 4.12Å; M17-L21 HydrophobicContact CE-CD2 4.13Å; M17-L21 HydrophobicContact CE-CG 4.12Å; M17-L21 HydrophobicContact CG-CD1 4.41Å; M17-L21 WeakPolarHBondContact O-CG 3.22Å; M17-L21 PolarHBondContact O-N 2.97Å
18L96.3Very high93.4Very high62 Ų62104.4 Ų104.433%0.32556%0.556SS.*Hα-helixtrans-61.5-43177.6-72.2176000112.3I10 R14 L16 S20 L21 M22I10-L18 HydrophobicContact CD1-CD1 3.45Å; I10-L18 VanDerWaalsContact CD1-CD1 3.45Å; R14-L18 HydrophobicContact CG-CD1 4.36Å; R14-L18 WeakPolarHBondContact O-CG 3.45Å; R14-L18 PolarHBondContact O-N 3.37Å; L16-L18 VanDerWaalsContact C-N 3.33Å; L16-L18 PolarHBondContact O-N 2.92Å; L18-S20 VanDerWaalsContact C-N 3.29Å; L18-S20 PolarHBondContact O-N 3.35Å; L18-L21 PolarHBondContact O-N 3.21Å; L18-M22 VanDerWaalsContact O-CG 3.27Å; L18-M22 WeakPolarHBondContact O-CG 3.4Å; L18-M22 PolarHBondContact O-N 2.91Å
19K95.9Very high94.7Very high118 Ų118102.6 Ų102.651%0.51354%0.543SS..Hα-helixtrans-59.6-41.4174.8-73.1178.4175.7-165.20112K15 L16 M17 M22 L23K15-K19 WeakPolarHBondContact O-CG 3.45Å; K15-K19 PolarHBondContact O-N 3.41Å; K15-K19 VanDerWaalsContact O-N 3.14Å; L16-K19 PolarHBondContact O-N 3.49Å; M17-K19 PolarHBondContact O-N 3.02Å; K19-M22 PolarHBondContact O-N 3.01Å; K19-L23 WeakPolarHBondContact O-CG 3.37Å; K19-L23 PolarHBondContact O-N 3.43Å
20S95.9Very high95.3Very high73 Ų7399.6 Ų99.651%0.5153%0.525SS..Hα-helixtrans-61.9-45.9176.8-163.80000111.6L16 M17 L18 L23 A24L16-S20 PolarHBondContact O-N 3.33Å; M17-S20 WeakPolarHBondContact O-CB 3.48Å; M17-S20 PolarHBondContact O-N 3.05Å; L18-S20 VanDerWaalsContact C-N 3.29Å; L18-S20 PolarHBondContact O-N 3.35Å; S20-L23 PolarHBondContact O-N 3.05Å; S20-A24 WeakPolarHBondContact O-CB 3.4Å; S20-A24 PolarHBondContact O-N 2.92Å
21L97.5Very high95.8Very high91 Ų91100.7 Ų100.748%0.47653%0.529SS..Hα-helixtrans-63.4-40.5176.1-69.5174.7000112.4M17 L18 A24 K25M17-L21 HydrophobicContact CE-CD1 4.12Å; M17-L21 HydrophobicContact CE-CD2 4.13Å; M17-L21 HydrophobicContact CE-CG 4.12Å; M17-L21 HydrophobicContact CG-CD1 4.41Å; M17-L21 WeakPolarHBondContact O-CG 3.22Å; M17-L21 PolarHBondContact O-N 2.97Å; L18-L21 PolarHBondContact O-N 3.21Å; L21-A24 PolarHBondContact O-N 3.39Å; L21-K25 PolarHBondContact O-N 3.46Å
22M97.5Very high96.1Very high137 Ų137100.5 Ų100.568%0.67552%0.522SS*.Hα-helixtrans-62.7-42.5176-71.9175.573.400111.8L18 K19 K25 A26L18-M22 VanDerWaalsContact O-CG 3.27Å; L18-M22 WeakPolarHBondContact O-CG 3.4Å; L18-M22 PolarHBondContact O-N 2.91Å; K19-M22 PolarHBondContact O-N 3.01Å; M22-K25 PolarHBondContact O-N 3.44Å; M22-A26 VanDerWaalsContact O-CB 3.27Å; M22-A26 WeakPolarHBondContact O-CB 3.36Å; M22-A26 PolarHBondContact O-N 2.82Å
23L97.3Very high96.5Very high127 Ų127100.9 Ų100.967%0.66551%0.509SS*.Hα-helixtrans-65.8-39.9175.7-71.6173.3000111.8K19 S20 A26 K27K19-L23 WeakPolarHBondContact O-CG 3.37Å; K19-L23 PolarHBondContact O-N 3.43Å; S20-L23 PolarHBondContact O-N 3.05Å; L23-A26 PolarHBondContact O-N 3.05Å; L23-K27 WeakPolarHBondContact O-CB 3.43Å; L23-K27 PolarHBondContact O-N 3.29Å
24A97.4Very high96.8Very high58 Ų58100.6 Ų100.648%0.47950%0.497SS..Hα-helixtrans-62.1-46.6175.400000111.4S20 L21 K27 E28S20-A24 WeakPolarHBondContact O-CB 3.4Å; S20-A24 PolarHBondContact O-N 2.92Å; L21-A24 PolarHBondContact O-N 3.39Å; A24-K27 WeakPolarHBondContact O-CB 3.31Å; A24-K27 PolarHBondContact O-N 3.45Å; A24-E28 PolarHBondContact O-N 3.39Å
25K97.6Very high97Very high101 Ų101100.3 Ų100.344%0.43950%0.502SS..Hα-helixtrans-66.3-40177.1-174.656.3179.5177.90112.4L21 M22 K27 E28 C29L21-K25 PolarHBondContact O-N 3.46Å; M22-K25 PolarHBondContact O-N 3.44Å; K25-K27 VanDerWaalsContact C-N 3.28Å; K25-K27 PolarHBondContact O-N 3.33Å; K25-E28 WeakPolarHBondContact CD-OE2 3.45Å; K25-E28 IonicContact NZ-OE1 3.71Å; K25-E28 PolarHBondContact NZ-OE1 3.39Å; K25-E28 IonicContact NZ-OE2 2.67Å; K25-E28 PolarHBondContact NZ-OE2 3.22Å; K25-E28 PolarHBondContact O-N 3.29Å; K25-C29 WeakPolarHBondContact O-CB 3.49Å; K25-C29 PolarHBondContact O-N 3.49Å; K25-C29 PolarHBondContact O-SG 3.08Å; K25-C29 VanDerWaalsContact O-SG 3.35Å
26A97.6Very high97.3Very high59 Ų5999.9 Ų99.949%0.48850%0.502SS..Hα-helixtrans-61.3-39.3175.700000111.7M22 L23 W30M22-A26 VanDerWaalsContact O-CB 3.27Å; M22-A26 WeakPolarHBondContact O-CB 3.36Å; M22-A26 PolarHBondContact O-N 2.82Å; L23-A26 PolarHBondContact O-N 3.05Å; A26-W30 VanDerWaalsContact O-CB 3.28Å; A26-W30 WeakPolarHBondContact O-CB 3.43Å; A26-W30 PolarHBondContact O-N 2.94Å
27K97.4Very high97.5Very high125 Ų12599.9 Ų99.954%0.54349%0.493SS..Hα-helixtrans-63.6-48.5174.7-175.5-172.1168.9-161.30111.5L23 A24 K25 C29 W30 E31L23-K27 WeakPolarHBondContact O-CB 3.43Å; L23-K27 PolarHBondContact O-N 3.29Å; A24-K27 WeakPolarHBondContact O-CB 3.31Å; A24-K27 PolarHBondContact O-N 3.45Å; K25-K27 VanDerWaalsContact C-N 3.28Å; K25-K27 PolarHBondContact O-N 3.33Å; K27-C29 PolarHBondContact O-N 3.46Å; K27-W30 WeakPolarHBondContact O-CB 3.49Å; K27-W30 PolarHBondContact O-N 3.14Å; K27-W30 VanDerWaalsContact O-N 3.16Å; K27-E31 WeakPolarHBondContact CE-OE1 3.38Å; K27-E31 IonicContact NZ-OE1 2.8Å; K27-E31 PolarHBondContact NZ-OE1 3.17Å; K27-E31 WeakPolarHBondContact O-CG 3.39Å; K27-E31 PolarHBondContact O-N 3.37Å
28E98.1Very high97.6Very high98 Ų9899 Ų9946%0.45849%0.487SS..Hα-helixtrans-57.5-48.6176.8-176.1-161153.600111.5A24 K25 W30 E31 Q32A24-E28 PolarHBondContact O-N 3.39Å; K25-E28 WeakPolarHBondContact CD-OE2 3.45Å; K25-E28 IonicContact NZ-OE1 3.71Å; K25-E28 PolarHBondContact NZ-OE1 3.39Å; K25-E28 IonicContact NZ-OE2 2.67Å; K25-E28 PolarHBondContact NZ-OE2 3.22Å; K25-E28 PolarHBondContact O-N 3.29Å; E28-W30 VanDerWaalsContact C-N 3.27Å; E28-W30 PolarHBondContact O-N 3.02Å; E28-E31 PolarHBondContact O-N 2.97Å; E28-Q32 WeakPolarHBondContact O-CB 3.29Å; E28-Q32 PolarHBondContact O-N 2.6Å
29C98.3Very high97.7Very high55 Ų5599 Ų9937%0.37250%0.497SS..Hα-helixtrans-61.7-35.7176.6-70.50000112.5K25 K27 E33K25-C29 WeakPolarHBondContact O-CB 3.49Å; K25-C29 PolarHBondContact O-N 3.49Å; K25-C29 PolarHBondContact O-SG 3.08Å; K25-C29 VanDerWaalsContact O-SG 3.35Å; K27-C29 PolarHBondContact O-N 3.46Å; C29-E33 WeakPolarHBondContact O-CB 3.32Å; C29-E33 PolarHBondContact O-N 3.28Å
30W97.4Very high97.8Very high161 Ų16197.5 Ų97.561%0.6149%0.492SS*.Hα-helixtrans-69.9-39.7177.8-174.278000112.3A26 K27 E28 H34A26-W30 VanDerWaalsContact O-CB 3.28Å; A26-W30 WeakPolarHBondContact O-CB 3.43Å; A26-W30 PolarHBondContact O-N 2.94Å; K27-W30 WeakPolarHBondContact O-CB 3.49Å; K27-W30 PolarHBondContact O-N 3.14Å; K27-W30 VanDerWaalsContact O-N 3.16Å; E28-W30 VanDerWaalsContact C-N 3.27Å; E28-W30 PolarHBondContact O-N 3.02Å; W30-H34 WeakPolarHBondContact O-CB 3.3Å; W30-H34 PolarHBondContact O-N 3.32Å
31E98.2Very high97.9Very high86 Ų8699.5 Ų99.540%0.40249%0.491SS..Hα-helixtrans-64.6-44.5173.5-72.3172164.100110.7K27 E28 H34 E35K27-E31 WeakPolarHBondContact CE-OE1 3.38Å; K27-E31 IonicContact NZ-OE1 2.8Å; K27-E31 PolarHBondContact NZ-OE1 3.17Å; K27-E31 WeakPolarHBondContact O-CG 3.39Å; K27-E31 PolarHBondContact O-N 3.37Å; E28-E31 PolarHBondContact O-N 2.97Å; E31-H34 WeakPolarHBondContact O-CB 3.25Å; E31-H34 PolarHBondContact O-N 2.98Å; E31-E35 PolarHBondContact O-N 3.41Å
32Q98.2Very high97.8Very high91 Ų9199.9 Ų99.943%0.42550%0.497SS..Hα-helixtrans-60.4-47.4174.9-175.9-177.5-1.600112.2E28 H34 E35 E36E28-Q32 WeakPolarHBondContact O-CB 3.29Å; E28-Q32 PolarHBondContact O-N 2.6Å; Q32-H34 PolarHBondContact O-N 2.67Å; Q32-E35 PolarHBondContact O-N 2.81Å; Q32-E36 HydrophobicContact CG-CG 4.44Å; Q32-E36 WeakPolarHBondContact CG-OE1 3.35Å; Q32-E36 PolarHBondContact NE2-OE1 3.29Å; Q32-E36 WeakPolarHBondContact O-CG 3.33Å; Q32-E36 PolarHBondContact O-N 2.96Å
33E98.3Very high97.8Very high95 Ų9599.5 Ų99.544%0.44449%0.488SS..Hα-helixtrans-59.9-36.9177.6-171.5-167.7170.200111.4C29 R37C29-E33 WeakPolarHBondContact O-CB 3.32Å; C29-E33 PolarHBondContact O-N 3.28Å; E33-R37 VanDerWaalsContact CD-NH2 3.34Å; E33-R37 VanDerWaalsContact O-CB 3.28Å; E33-R37 WeakPolarHBondContact O-CB 3.44Å; E33-R37 PolarHBondContact O-N 2.84Å; E33-R37 IonicContact OE1-CZ 3.47Å; E33-R37 IonicContact OE1-NH2 3.55Å; E33-R37 PolarHBondContact OE1-NH2 3.45Å
34H98Very high97.7Very high87 Ų8799.2 Ų99.240%0.40348%0.479SS..Hα-helixtrans-65.5-45176.1-175.8-76.2000111.8W30 E31 Q32 R37 E38W30-H34 WeakPolarHBondContact O-CB 3.3Å; W30-H34 PolarHBondContact O-N 3.32Å; E31-H34 WeakPolarHBondContact O-CB 3.25Å; E31-H34 PolarHBondContact O-N 2.98Å; Q32-H34 PolarHBondContact O-N 2.67Å; H34-R37 PolarHBondContact O-N 3.08Å; H34-E38 PolarHBondContact O-N 3.38Å; H34-E38 VanDerWaalsContact O-N 3.09Å
35E98.3Very high97.6Very high137 Ų137100.2 Ų100.264%0.6448%0.476SS*.Hα-helixtrans-62.6-44.9176-71.2177.1-17600112E31 Q32 R37 E38 A39E31-E35 PolarHBondContact O-N 3.41Å; Q32-E35 PolarHBondContact O-N 2.81Å; E35-R37 VanDerWaalsContact C-N 3.31Å; E35-R37 PolarHBondContact O-N 2.89Å; E35-E38 PolarHBondContact O-N 2.98Å; E35-A39 WeakPolarHBondContact O-CB 3.42Å; E35-A39 PolarHBondContact O-N 3.45Å
36E98.3Very high97.5Very high108 Ų10899 Ų9951%0.50548%0.48SS..Hα-helixtrans-60.3-41.6176.3-73.2174.1-172.700111.4Q32 A39 E40Q32-E36 HydrophobicContact CG-CG 4.44Å; Q32-E36 WeakPolarHBondContact CG-OE1 3.35Å; Q32-E36 PolarHBondContact NE2-OE1 3.29Å; Q32-E36 WeakPolarHBondContact O-CG 3.33Å; Q32-E36 PolarHBondContact O-N 2.96Å; E36-A39 PolarHBondContact O-N 2.99Å; E36-E40 VanDerWaalsContact O-CB 3.26Å; E36-E40 WeakPolarHBondContact O-CB 3.44Å; E36-E40 PolarHBondContact O-N 3.43Å
37R98.2Very high97.3Very high126 Ų126102.6 Ų102.648%0.47549%0.487SS..Hα-helixtrans-64.3-41.6177.6-171.5-178.2-60138.23112.6E33 H34 E35 K41E33-R37 VanDerWaalsContact CD-NH2 3.34Å; E33-R37 VanDerWaalsContact O-CB 3.28Å; E33-R37 WeakPolarHBondContact O-CB 3.44Å; E33-R37 PolarHBondContact O-N 2.84Å; E33-R37 IonicContact OE1-CZ 3.47Å; E33-R37 IonicContact OE1-NH2 3.55Å; E33-R37 PolarHBondContact OE1-NH2 3.45Å; H34-R37 PolarHBondContact O-N 3.08Å; E35-R37 VanDerWaalsContact C-N 3.31Å; E35-R37 PolarHBondContact O-N 2.89Å; R37-K41 WeakPolarHBondContact O-CB 3.24Å; R37-K41 PolarHBondContact O-N 3.36Å
38E98.1Very high97.1Very high83 Ų83104.9 Ų104.939%0.38849%0.492SS..Hα-helixtrans-70.2-39.6177-69.7-57.4122.400111.6H34 E35 K41 V42H34-E38 PolarHBondContact O-N 3.38Å; H34-E38 VanDerWaalsContact O-N 3.09Å; E35-E38 PolarHBondContact O-N 2.98Å; E38-K41 WeakPolarHBondContact O-CB 3.34Å; E38-K41 PolarHBondContact O-N 2.98Å; E38-V42 WeakPolarHBondContact O-CG2 3.26Å; E38-V42 PolarHBondContact O-N 3.49Å
39A98.1Very high96.7Very high64 Ų64106 Ų10653%0.52950%0.499SS..Hα-helixtrans-62.5-43.317400000111.9E35 E36 K41 V42 R43E35-A39 WeakPolarHBondContact O-CB 3.42Å; E35-A39 PolarHBondContact O-N 3.45Å; E36-A39 PolarHBondContact O-N 2.99Å; A39-K41 VanDerWaalsContact C-N 3.34Å; A39-K41 PolarHBondContact O-N 3.31Å; A39-V42 PolarHBondContact O-N 2.85Å; A39-R43 PolarHBondContact O-N 3.42Å
40E98Very high96.3Very high86 Ų86107.5 Ų107.540%0.40251%0.509SS..Hα-helixtrans-60.3-44.3174.9-174.362.1-135.800111.2E36 V42 R43 Y44E36-E40 VanDerWaalsContact O-CB 3.26Å; E36-E40 WeakPolarHBondContact O-CB 3.44Å; E36-E40 PolarHBondContact O-N 3.43Å; E40-V42 VanDerWaalsContact C-N 3.35Å; E40-V42 PolarHBondContact O-N 3.08Å; E40-R43 PolarHBondContact O-N 3.33Å; E40-R43 IonicContact OE1-CZ 3.14Å; E40-R43 IonicContact OE1-NE 3.63Å; E40-R43 PolarHBondContact OE1-NE 3.4Å; E40-R43 IonicContact OE1-NH2 3.05Å; E40-R43 PolarHBondContact OE1-NH2 2.9Å; E40-R43 IonicContact OE2-CZ 2.62Å; E40-R43 IonicContact OE2-NE 3.43Å; E40-R43 IonicContact OE2-NH1 3.33Å; E40-R43 IonicContact OE2-NH2 3.81Å; E40-R43 PolarHBondContact OE2-NH2 2.92Å; E40-Y44 WeakPolarHBondContact O-CB 3.48Å; E40-Y44 PolarHBondContact O-N 2.86Å
41K97.3Very high96Very high114 Ų114106 Ų10650%0.49652%0.518SS..Hα-helixtrans-60.3-44.1176.7-179.4-177.4176-172.70111.7R37 E38 A39 Y44 L45R37-K41 WeakPolarHBondContact O-CB 3.24Å; R37-K41 PolarHBondContact O-N 3.36Å; E38-K41 WeakPolarHBondContact O-CB 3.34Å; E38-K41 PolarHBondContact O-N 2.98Å; A39-K41 VanDerWaalsContact C-N 3.34Å; A39-K41 PolarHBondContact O-N 3.31Å; K41-Y44 PolarHBondContact O-N 3.3Å; K41-L45 HydrophobicContact CG-CD1 4.13Å; K41-L45 WeakPolarHBondContact O-CB 3.26Å; K41-L45 VanDerWaalsContact O-CG 3.26Å; K41-L45 WeakPolarHBondContact O-CG 3.39Å; K41-L45 PolarHBondContact O-N 3.18Å
42V96.5Very high95.6Very high99 Ų99106.8 Ų106.860%0.652%0.524SS*.Hα-helixtrans-62.9-44.6177172.40000111E38 A39 E40 L45 S46E38-V42 WeakPolarHBondContact O-CG2 3.26Å; E38-V42 PolarHBondContact O-N 3.49Å; A39-V42 PolarHBondContact O-N 2.85Å; E40-V42 VanDerWaalsContact C-N 3.35Å; E40-V42 PolarHBondContact O-N 3.08Å; V42-L45 PolarHBondContact O-N 3.31Å; V42-S46 PolarHBondContact O-N 3.09Å; V42-S46 PolarHBondContact O-OG 2.99Å
43R96.6Very high95.1Very high130 Ų130110.6 Ų110.649%0.49154%0.542SS..Hα-helixtrans-61.5-47.5176.4-174.5178.773.2-163.37.5111.8A39 E40 L45 S46 E47A39-R43 PolarHBondContact O-N 3.42Å; E40-R43 PolarHBondContact O-N 3.33Å; E40-R43 IonicContact OE1-CZ 3.14Å; E40-R43 IonicContact OE1-NE 3.63Å; E40-R43 PolarHBondContact OE1-NE 3.4Å; E40-R43 IonicContact OE1-NH2 3.05Å; E40-R43 PolarHBondContact OE1-NH2 2.9Å; E40-R43 IonicContact OE2-CZ 2.62Å; E40-R43 IonicContact OE2-NE 3.43Å; E40-R43 IonicContact OE2-NH1 3.33Å; E40-R43 IonicContact OE2-NH2 3.81Å; E40-R43 PolarHBondContact OE2-NH2 2.92Å; R43-L45 VanDerWaalsContact C-N 3.32Å; R43-L45 PolarHBondContact O-N 3.37Å; R43-S46 PolarHBondContact O-N 2.95Å; R43-S46 PolarHBondContact O-OG 3.18Å; R43-E47 WeakPolarHBondContact CG-OE1 3.38Å; R43-E47 WeakPolarHBondContact O-CG 3.38Å; R43-E47 PolarHBondContact O-N 3.38Å
44Y96.9Very high94.8Very high121 Ų121109.4 Ų109.448%0.47554%0.541SS..Hα-helixtrans-60.2-42.5178.8-177.6-97.3000111.8E40 K41 R48E40-Y44 WeakPolarHBondContact O-CB 3.48Å; E40-Y44 PolarHBondContact O-N 2.86Å; K41-Y44 PolarHBondContact O-N 3.3Å; Y44-R48 HydrophobicContact CD1-CG 4.21Å; Y44-R48 HydrophobicContact CD2-CG 4.41Å; Y44-R48 HydrophobicContact CE1-CG 3.8Å; Y44-R48 HydrophobicContact CE2-CG 4.01Å; Y44-R48 HydrophobicContact CG-CG 4.49Å; Y44-R48 WeakPolarHBondContact O-CB 3.38Å; Y44-R48 VanDerWaalsContact O-CG 3.25Å; Y44-R48 WeakPolarHBondContact O-CG 3.46Å; Y44-R48 PolarHBondContact O-N 3.48Å; Y44-R48 PolarHBondContact OH-NE 3Å
45L95.1Very high94.5Very high79 Ų79116.8 Ų116.841%0.41457%0.565SS.*Hα-helixtrans-68.9-38.3178.2-70.9173.9000112.5K41 V42 R43 E47 R48 I49K41-L45 HydrophobicContact CG-CD1 4.13Å; K41-L45 WeakPolarHBondContact O-CB 3.26Å; K41-L45 VanDerWaalsContact O-CG 3.26Å; K41-L45 WeakPolarHBondContact O-CG 3.39Å; K41-L45 PolarHBondContact O-N 3.18Å; V42-L45 PolarHBondContact O-N 3.31Å; R43-L45 VanDerWaalsContact C-N 3.32Å; R43-L45 PolarHBondContact O-N 3.37Å; L45-E47 VanDerWaalsContact C-N 3.34Å; L45-R48 PolarHBondContact O-N 3.39Å; L45-I49 HydrophobicContact CD2-CD1 4.03Å; L45-I49 WeakPolarHBondContact O-CA 3.46Å; L45-I49 WeakPolarHBondContact O-CB 3.24Å; L45-I49 PolarHBondContact O-N 3.39Å
46S94.5Very high94.3Very high74 Ų74114.5 Ų114.552%0.51758%0.579SS.*Hα-helixtrans-68.7-33.6177.966.20000112.6V42 R43V42-S46 PolarHBondContact O-N 3.09Å; V42-S46 PolarHBondContact O-OG 2.99Å; R43-S46 PolarHBondContact O-N 2.95Å; R43-S46 PolarHBondContact O-OG 3.18Å
47E94.5Very high94.1Very high135 Ų135112.9 Ų112.963%0.63157%0.573SS**Hα-helixtrans-71.3-41.1174.1-72.5175.4-166.400112.3R43 L45R43-E47 WeakPolarHBondContact CG-OE1 3.38Å; R43-E47 WeakPolarHBondContact O-CG 3.38Å; R43-E47 PolarHBondContact O-N 3.38Å; L45-E47 VanDerWaalsContact C-N 3.34Å
48R92.1Very high94Very high174 Ų174110.3 Ų110.366%0.65757%0.574SS**Hα-helixtrans-81.1-31.5-177.4-71-67.1-168.3-143.81.9113.7Y44 L45 P50Y44-R48 HydrophobicContact CD1-CG 4.21Å; Y44-R48 HydrophobicContact CD2-CG 4.41Å; Y44-R48 HydrophobicContact CE1-CG 3.8Å; Y44-R48 HydrophobicContact CE2-CG 4.01Å; Y44-R48 HydrophobicContact CG-CG 4.49Å; Y44-R48 WeakPolarHBondContact O-CB 3.38Å; Y44-R48 VanDerWaalsContact O-CG 3.25Å; Y44-R48 WeakPolarHBondContact O-CG 3.46Å; Y44-R48 PolarHBondContact O-N 3.48Å; Y44-R48 PolarHBondContact OH-NE 3Å; L45-R48 PolarHBondContact O-N 3.39Å; R48-P50 VanDerWaalsContact C-CD 3.46Å; R48-P50 WeakPolarHBondContact O-CD 3.34Å
49I90.6Very high93.9Very high120 Ų120112.4 Ų112.462%0.61559%0.588SS**SBendtrans-124.373.8-173.9-47177.4000108.4L45L45-I49 HydrophobicContact CD2-CD1 4.03Å; L45-I49 WeakPolarHBondContact O-CA 3.46Å; L45-I49 WeakPolarHBondContact O-CB 3.24Å; L45-I49 PolarHBondContact O-N 3.39Å
50P88.7Confident93.8Very high87 Ų87112.5 Ų112.557%0.56559%0.585SS**PPolyproline II helixtrans-66149.2174.829-34.6000110.4R48 L52R48-P50 VanDerWaalsContact C-CD 3.46Å; R48-P50 WeakPolarHBondContact O-CD 3.34Å; P50-L52 PolarHBondContact O-N 2.91Å
51T90.7Very high93.7Very high131 Ų131110.1 Ų110.180%0.80458%0.579SS**PPolyproline II helixtrans-58.7124.3175.1-58.70000110.4Q53T51-Q53 PolarHBondContact O-N 2.86Å
52L90.3Very high93.7Very high102 Ų102107.9 Ų107.953%0.53457%0.572SS.*PPolyproline II helixtrans-65.8117.4178.6-64.5174.9000110.7P50 L69P50-L52 PolarHBondContact O-N 2.91Å; L52-L69 HydrophobicContact CD1-CD1 3.86Å; L52-L69 HydrophobicContact CD2-CD1 4.18Å; L52-L69 HydrophobicContact CD2-CD2 4.31Å
53Q88.2Confident93.7Very high171 Ų171107.5 Ų107.580%0.79956%0.564SS**  trans-95.193.4174.4-67-177.3-16.700109.7T51T51-Q53 PolarHBondContact O-N 2.86Å
54T91.6Very high93.8Very high70 Ų70105 Ų10543%0.42956%0.561SS.*  trans-95.6-12.4179.756.40000113.4G56 L57 L62 L65T54-G56 PolarHBondContact O-N 3.35Å; T54-L57 PolarHBondContact O-N 2.73Å; T54-L62 HydrophobicContact CG2-CD1 4.2Å; T54-L65 HydrophobicContact CG2-CD2 4.18Å
55R91.9Very high93.7Very high241 Ų241101 Ų10191%0.90955%0.547SS*.THydrogen-bonded Turntrans-66.7129.2-179.9-65.5-175.6-179.8-1740.4110.1L57R55-L57 VanDerWaalsContact C-N 3.3Å
56G93.2Very high93.7Very high89 Ų89100.9 Ų100.992%0.91855%0.552SS**THydrogen-bonded Turntrans83.3-1.2178.900000114.8T54T54-G56 PolarHBondContact O-N 3.35Å
57L94.2Very high93.9Very high74 Ų74104.4 Ų104.439%0.38755%0.554SS.*  trans-71.9140.8171.7-63.7-176.8000110.7T54 R55 A61 L65T54-L57 PolarHBondContact O-N 2.73Å; R55-L57 VanDerWaalsContact C-N 3.3Å; L57-A61 HydrophobicContact CB-CB 4.3Å; L57-A61 HydrophobicContact CD2-CB 4.32Å; L57-L65 HydrophobicContact CD1-CD2 3.94Å
58S96.2Very high94Very high72 Ų72102.7 Ų102.750%0.50355%0.546SS..  trans-70.7163.2168.870.60000110.7S60 A61 L62S58-S60 VanDerWaalsContact C-N 3.28Å; S58-S60 PolarHBondContact O-N 2.8Å; S58-A61 PolarHBondContact O-N 3.06Å; S58-A61 WeakPolarHBondContact OG-CB 3.28Å; S58-A61 PolarHBondContact OG-N 3.16Å; S58-L62 WeakPolarHBondContact O-CB 3.48Å; S58-L62 PolarHBondContact O-N 3.35Å
59L96Very high94.1Very high127 Ų12797.2 Ų97.267%0.66553%0.529SS*.Hα-helixtrans-55.9-42.7176.8178.262.6000112.3L62 Q63L59-L62 PolarHBondContact O-N 2.97Å; L59-Q63 WeakPolarHBondContact O-CG 3.36Å; L59-Q63 PolarHBondContact O-N 2.89Å
60S97.2Very high94.5Very high67 Ų6797.1 Ų97.147%0.46953%0.526SS..Hα-helixtrans-63-48.4177.9-169.40000111.4S58 L62 Q63 D64S58-S60 VanDerWaalsContact C-N 3.28Å; S58-S60 PolarHBondContact O-N 2.8Å; S60-L62 PolarHBondContact O-N 2.77Å; S60-Q63 WeakPolarHBondContact O-CB 3.38Å; S60-Q63 PolarHBondContact O-N 3.35Å; S60-Q63 VanDerWaalsContact O-N 3.11Å; S60-D64 PolarHBondContact O-N 2.9Å
61A96.3Very high94.9Very high35 Ų3595.3 Ų95.329%0.28952%0.519SS..Hα-helixtrans-61.7-35.4178.800000111.8L57 S58 D64 L65L57-A61 HydrophobicContact CB-CB 4.3Å; L57-A61 HydrophobicContact CD2-CB 4.32Å; S58-A61 PolarHBondContact O-N 3.06Å; S58-A61 WeakPolarHBondContact OG-CB 3.28Å; S58-A61 PolarHBondContact OG-N 3.16Å; A61-D64 PolarHBondContact O-N 2.79Å; A61-L65 WeakPolarHBondContact O-CB 3.46Å; A61-L65 PolarHBondContact O-N 3.25Å
62L96.4Very high95.2Very high67 Ų6794.4 Ų94.435%0.35150%0.503SS..Hα-helixtrans-67.9-40.6175.2-172.263.1000112T54 S58 L59 S60 L65 C66T54-L62 HydrophobicContact CG2-CD1 4.2Å; S58-L62 WeakPolarHBondContact O-CB 3.48Å; S58-L62 PolarHBondContact O-N 3.35Å; L59-L62 PolarHBondContact O-N 2.97Å; S60-L62 PolarHBondContact O-N 2.77Å; L62-L65 PolarHBondContact O-N 2.88Å; L62-C66 PolarHBondContact O-N 3.03Å; L62-C66 PolarHBondContact O-SG 3.23Å
63Q97.4Very high95.5Very high92 Ų9294.1 Ų94.143%0.4351%0.506SS..Hα-helixtrans-63.6-41.1174.8-73.7176.5-15.700112L59 S60 C66 R67L59-Q63 WeakPolarHBondContact O-CG 3.36Å; L59-Q63 PolarHBondContact O-N 2.89Å; S60-Q63 WeakPolarHBondContact O-CB 3.38Å; S60-Q63 PolarHBondContact O-N 3.35Å; S60-Q63 VanDerWaalsContact O-N 3.11Å; Q63-C66 PolarHBondContact O-N 3.5Å; Q63-R67 WeakPolarHBondContact O-CG 3.47Å; Q63-R67 PolarHBondContact O-N 3.03Å
64D97Very high95.9Very high78 Ų7891.4 Ų91.442%0.41749%0.493SS..Hα-helixtrans-65.8-43.7177.3-64.4-27.4000111.4S60 A61 C66 R67 E68S60-D64 PolarHBondContact O-N 2.9Å; A61-D64 PolarHBondContact O-N 2.79Å; D64-C66 VanDerWaalsContact C-N 3.35Å; D64-C66 PolarHBondContact O-N 2.92Å; D64-R67 PolarHBondContact O-N 3.28Å; D64-R67 IonicContact OD1-CZ 3.54Å; D64-R67 IonicContact OD1-NE 3.53Å; D64-R67 IonicContact OD1-NH2 2.73Å; D64-R67 PolarHBondContact OD1-NH2 2.86Å; D64-E68 PolarHBondContact O-N 2.94Å
65L95.3Very high96.2Very high37 Ų3791.9 Ų91.919%0.19450%0.495CS..Hα-helixtrans-58.6-44.8173.3178.462.8000111.8T54 L57 A61 L62 R67 E68 L69T54-L65 HydrophobicContact CG2-CD2 4.18Å; L57-L65 HydrophobicContact CD1-CD2 3.94Å; A61-L65 WeakPolarHBondContact O-CB 3.46Å; A61-L65 PolarHBondContact O-N 3.25Å; L62-L65 PolarHBondContact O-N 2.88Å; L65-R67 VanDerWaalsContact C-N 3.33Å; L65-R67 PolarHBondContact O-N 3.43Å; L65-E68 PolarHBondContact O-N 3.33Å; L65-L69 HydrophobicContact CD1-CD1 4.12Å; L65-L69 HydrophobicContact CD1-CG 4.13Å; L65-L69 HydrophobicContact CG-CD1 4.05Å; L65-L69 HydrophobicContact CG-CG 4.44Å; L65-L69 WeakPolarHBondContact O-CB 3.11Å; L65-L69 VanDerWaalsContact O-CG 3.31Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 3.26Å
66C96.1Very high96.5Very high75 Ų7584.5 Ų84.551%0.50748%0.477SS..Hα-helixtrans-61.4-41.2177-73.30000112.1L62 Q63 D64 H70L62-C66 PolarHBondContact O-N 3.03Å; L62-C66 PolarHBondContact O-SG 3.23Å; Q63-C66 PolarHBondContact O-N 3.5Å; D64-C66 VanDerWaalsContact C-N 3.35Å; D64-C66 PolarHBondContact O-N 2.92Å; C66-H70 WeakPolarHBondContact O-CB 3.37Å; C66-H70 PolarHBondContact O-N 2.87Å
67R97.7Very high96.7Very high149 Ų14984 Ų8456%0.56245%0.453SS*.Hα-helixtrans-64.3-43.7176-76.3-174.6-85.6-122.41.4111.9Q63 D64 L65 H70 A71Q63-R67 WeakPolarHBondContact O-CG 3.47Å; Q63-R67 PolarHBondContact O-N 3.03Å; D64-R67 PolarHBondContact O-N 3.28Å; D64-R67 IonicContact OD1-CZ 3.54Å; D64-R67 IonicContact OD1-NE 3.53Å; D64-R67 IonicContact OD1-NH2 2.73Å; D64-R67 PolarHBondContact OD1-NH2 2.86Å; L65-R67 VanDerWaalsContact C-N 3.33Å; L65-R67 PolarHBondContact O-N 3.43Å; R67-H70 PolarHBondContact O-N 3.3Å; R67-A71 PolarHBondContact O-N 3.11Å
68E96.1Very high96.9Very high99 Ų9986.7 Ų86.746%0.46346%0.464SS..Hα-helixtrans-62.9-45.8177.4-173.1-172.1160.300111.7D64 L65 H70 A71 K72D64-E68 PolarHBondContact O-N 2.94Å; L65-E68 PolarHBondContact O-N 3.33Å; E68-H70 VanDerWaalsContact C-N 3.34Å; E68-H70 PolarHBondContact O-N 3.5Å; E68-A71 PolarHBondContact O-N 3.47Å; E68-K72 HydrophobicContact CG-CD 4.5Å; E68-K72 WeakPolarHBondContact O-CG 3.43Å; E68-K72 PolarHBondContact O-N 2.89Å; E68-K72 VanDerWaalsContact OE1-CE 3.22Å; E68-K72 WeakPolarHBondContact OE1-CE 3.42Å; E68-K72 IonicContact OE1-NZ 2.77Å; E68-K72 PolarHBondContact OE1-NZ 2.9Å
69L95.7Very high97Very high59 Ų5988.7 Ų88.731%0.30947%0.465SS..Hα-helixtrans-63.5-40.6177.5-70.8175.2000111.6L52 L65 K72 V73L52-L69 HydrophobicContact CD1-CD1 3.86Å; L52-L69 HydrophobicContact CD2-CD1 4.18Å; L52-L69 HydrophobicContact CD2-CD2 4.31Å; L65-L69 HydrophobicContact CD1-CD1 4.12Å; L65-L69 HydrophobicContact CD1-CG 4.13Å; L65-L69 HydrophobicContact CG-CD1 4.05Å; L65-L69 HydrophobicContact CG-CG 4.44Å; L65-L69 WeakPolarHBondContact O-CB 3.11Å; L65-L69 VanDerWaalsContact O-CG 3.31Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 3.26Å; L69-K72 PolarHBondContact O-N 3.45Å; L69-V73 VanDerWaalsContact O-CG2 3.29Å; L69-V73 WeakPolarHBondContact O-CG2 3.28Å; L69-V73 PolarHBondContact O-N 3.31Å
70H97.5Very high97.1Very high118 Ų11888.1 Ų88.155%0.54645%0.454SS..Hα-helixtrans-61.4-47.9176.7-168.4-81.9000111.8C66 R67 E68 K72 V73 E74C66-H70 WeakPolarHBondContact O-CB 3.37Å; C66-H70 PolarHBondContact O-N 2.87Å; R67-H70 PolarHBondContact O-N 3.3Å; E68-H70 VanDerWaalsContact C-N 3.34Å; E68-H70 PolarHBondContact O-N 3.5Å; H70-K72 VanDerWaalsContact C-N 3.3Å; H70-K72 PolarHBondContact O-N 3.38Å; H70-V73 PolarHBondContact O-N 2.9Å; H70-V73 VanDerWaalsContact O-N 3.14Å; H70-E74 IonicContact CE1-OE1 3.03Å; H70-E74 PolarHBondContact CE1-OE1 3.44Å; H70-E74 IonicContact ND1-OE1 2.79Å; H70-E74 PolarHBondContact ND1-OE1 2.97Å; H70-E74 PolarHBondContact O-N 3.42Å; H70-E74 VanDerWaalsContact O-N 3.08Å
71A97.8Very high97.1Very high49 Ų4992 Ų9241%0.40546%0.46SS..Hα-helixtrans-60.8-39.2177.200000112.2R67 E68 E74 V75R67-A71 PolarHBondContact O-N 3.11Å; E68-A71 PolarHBondContact O-N 3.47Å; A71-E74 PolarHBondContact O-N 3.3Å; A71-V75 WeakPolarHBondContact O-CG2 3.27Å; A71-V75 PolarHBondContact O-N 3.31Å
72K96.3Very high97.2Very high111 Ų11194.1 Ų94.148%0.48347%0.466SS..Hα-helixtrans-65.1-39.5174.6-73.7177.4-176171.70112.5E68 L69 H70 E74 V75 V76E68-K72 HydrophobicContact CG-CD 4.5Å; E68-K72 WeakPolarHBondContact O-CG 3.43Å; E68-K72 PolarHBondContact O-N 2.89Å; E68-K72 VanDerWaalsContact OE1-CE 3.22Å; E68-K72 WeakPolarHBondContact OE1-CE 3.42Å; E68-K72 IonicContact OE1-NZ 2.77Å; E68-K72 PolarHBondContact OE1-NZ 2.9Å; L69-K72 PolarHBondContact O-N 3.45Å; H70-K72 VanDerWaalsContact C-N 3.3Å; H70-K72 PolarHBondContact O-N 3.38Å; K72-E74 VanDerWaalsContact C-N 3.34Å; K72-V75 PolarHBondContact O-N 3.03Å; K72-V76 WeakPolarHBondContact O-CB 3.48Å; K72-V76 VanDerWaalsContact O-CG2 3.3Å; K72-V76 WeakPolarHBondContact O-CG2 3.43Å; K72-V76 PolarHBondContact O-N 2.88Å
73V96.9Very high97.3Very high96 Ų9695.8 Ų95.858%0.58247%0.474SS*.Hα-helixtrans-63.1-41.7178167.70000111L69 H70 V75 V76 D77L69-V73 VanDerWaalsContact O-CG2 3.29Å; L69-V73 WeakPolarHBondContact O-CG2 3.28Å; L69-V73 PolarHBondContact O-N 3.31Å; H70-V73 PolarHBondContact O-N 2.9Å; H70-V73 VanDerWaalsContact O-N 3.14Å; V73-V75 PolarHBondContact O-N 3.46Å; V73-V76 PolarHBondContact O-N 3.45Å; V73-D77 WeakPolarHBondContact O-CB 3.27Å; V73-D77 PolarHBondContact O-N 3.43Å
74E98Very high97.3Very high115 Ų11596.5 Ų96.554%0.53748%0.478SS..Hα-helixtrans-58.5-48.7177.2-71176163.900111.8H70 A71 K72 D77 E78H70-E74 IonicContact CE1-OE1 3.03Å; H70-E74 PolarHBondContact CE1-OE1 3.44Å; H70-E74 IonicContact ND1-OE1 2.79Å; H70-E74 PolarHBondContact ND1-OE1 2.97Å; H70-E74 PolarHBondContact O-N 3.42Å; H70-E74 VanDerWaalsContact O-N 3.08Å; A71-E74 PolarHBondContact O-N 3.3Å; K72-E74 VanDerWaalsContact C-N 3.34Å; E74-D77 PolarHBondContact O-N 2.92Å; E74-E78 PolarHBondContact O-N 2.98Å; E74-E78 VanDerWaalsContact O-N 3.08Å
75V97.5Very high97.4Very high79 Ų7995 Ų9548%0.47948%0.476SS..Hα-helixtrans-62.1-46.2178.2176.50000111.4A71 K72 V73 D77 E78 E79A71-V75 WeakPolarHBondContact O-CG2 3.27Å; A71-V75 PolarHBondContact O-N 3.31Å; K72-V75 PolarHBondContact O-N 3.03Å; V73-V75 PolarHBondContact O-N 3.46Å; V75-D77 VanDerWaalsContact C-N 3.31Å; V75-D77 PolarHBondContact O-N 3.47Å; V75-E78 PolarHBondContact O-N 3.25Å; V75-E79 WeakPolarHBondContact O-CG 3.49Å; V75-E79 PolarHBondContact O-N 3.14Å; V75-E79 VanDerWaalsContact O-N 3.08Å
76V97Very high97.5Very high87 Ų8799.7 Ų99.753%0.52750%0.495SS..Hα-helixtrans-65.7-35.3-179.9170.30000111.7K72 V73 R80K72-V76 WeakPolarHBondContact O-CB 3.48Å; K72-V76 VanDerWaalsContact O-CG2 3.3Å; K72-V76 WeakPolarHBondContact O-CG2 3.43Å; K72-V76 PolarHBondContact O-N 2.88Å; V73-V76 PolarHBondContact O-N 3.45Å; V76-R80 VanDerWaalsContact O-CB 3.24Å; V76-R80 WeakPolarHBondContact O-CB 3.47Å; V76-R80 PolarHBondContact O-N 2.88Å
77D98.1Very high97.7Very high78 Ų7899.3 Ų99.342%0.41749%0.492SS..Hα-helixtrans-70.2-38.6178.4-166.858.4000112.2V73 E74 V75 R80 Y81V73-D77 WeakPolarHBondContact O-CB 3.27Å; V73-D77 PolarHBondContact O-N 3.43Å; E74-D77 PolarHBondContact O-N 2.92Å; V75-D77 VanDerWaalsContact C-N 3.31Å; V75-D77 PolarHBondContact O-N 3.47Å; D77-R80 WeakPolarHBondContact O-CB 3.44Å; D77-R80 PolarHBondContact O-N 3.21Å; D77-R80 IonicContact OD1-CZ 2.9Å; D77-R80 IonicContact OD1-NE 3.46Å; D77-R80 PolarHBondContact OD1-NE 3.25Å; D77-R80 IonicContact OD1-NH2 2.6Å; D77-R80 PolarHBondContact OD1-NH2 3.26Å; D77-R80 IonicContact OD2-NH2 3.29Å; D77-Y81 WeakPolarHBondContact O-CB 3.46Å; D77-Y81 PolarHBondContact O-N 3.4Å
78E98.1Very high97.7Very high131 Ų13197 Ų9761%0.61249%0.491SS*.Hα-helixtrans-59.9-49.9172-175.5176.6-170.200111.1E74 V75 R80 Y81 D82E74-E78 PolarHBondContact O-N 2.98Å; E74-E78 VanDerWaalsContact O-N 3.08Å; V75-E78 PolarHBondContact O-N 3.25Å; E78-R80 VanDerWaalsContact C-N 3.32Å; E78-R80 PolarHBondContact O-N 3.41Å; E78-Y81 WeakPolarHBondContact O-CB 3.49Å; E78-Y81 PolarHBondContact O-N 3.39Å; E78-D82 PolarHBondContact O-N 2.75Å
79E98.1Very high97.8Very high113 Ų11396.6 Ų96.653%0.52849%0.489SS..Hα-helixtrans-59.8-42.1176.2-70.5179.7168.800112.1V75 D82 I83V75-E79 WeakPolarHBondContact O-CG 3.49Å; V75-E79 PolarHBondContact O-N 3.14Å; V75-E79 VanDerWaalsContact O-N 3.08Å; E79-D82 PolarHBondContact O-N 2.98Å; E79-I83 WeakPolarHBondContact O-CD1 3.29Å; E79-I83 VanDerWaalsContact O-CG1 3.24Å; E79-I83 WeakPolarHBondContact O-CG1 3.49Å; E79-I83 PolarHBondContact O-N 2.98Å
80R98.2Very high97.9Very high115 Ų11597.7 Ų97.743%0.43450%0.495SS..Hα-helixtrans-60.3-45.8176.1-177.9-163.865.567.83.3110.8V76 D77 E78 I83 E84V76-R80 VanDerWaalsContact O-CB 3.24Å; V76-R80 WeakPolarHBondContact O-CB 3.47Å; V76-R80 PolarHBondContact O-N 2.88Å; D77-R80 WeakPolarHBondContact O-CB 3.44Å; D77-R80 PolarHBondContact O-N 3.21Å; D77-R80 IonicContact OD1-CZ 2.9Å; D77-R80 IonicContact OD1-NE 3.46Å; D77-R80 PolarHBondContact OD1-NE 3.25Å; D77-R80 IonicContact OD1-NH2 2.6Å; D77-R80 PolarHBondContact OD1-NH2 3.26Å; D77-R80 IonicContact OD2-NH2 3.29Å; E78-R80 VanDerWaalsContact C-N 3.32Å; E78-R80 PolarHBondContact O-N 3.41Å; R80-I83 PolarHBondContact O-N 3.18Å; R80-E84 IonicContact NH1-OE2 3.7Å; R80-E84 PolarHBondContact NH1-OE2 3.06Å; R80-E84 WeakPolarHBondContact O-CB 2.93Å; R80-E84 PolarHBondContact O-N 3.46Å
81Y98.1Very high98Very high149 Ų14996.2 Ų96.258%0.58449%0.494SS*.Hα-helixtrans-60.9-45.1178.9-178.8-93.2000111.5D77 E78 I83 E84 A85D77-Y81 WeakPolarHBondContact O-CB 3.46Å; D77-Y81 PolarHBondContact O-N 3.4Å; E78-Y81 WeakPolarHBondContact O-CB 3.49Å; E78-Y81 PolarHBondContact O-N 3.39Å; Y81-I83 PolarHBondContact O-N 2.94Å; Y81-E84 PolarHBondContact O-N 3.41Å; Y81-A85 WeakPolarHBondContact O-CB 3.36Å; Y81-A85 PolarHBondContact O-N 3.23Å
82D98Very high98Very high79 Ų79101.3 Ų101.342%0.42250%0.503SS..Hα-helixtrans-62.2-43.5177.3-87-1.3000112.8E78 E79 A85 K86E78-D82 PolarHBondContact O-N 2.75Å; E79-D82 PolarHBondContact O-N 2.98Å; D82-A85 PolarHBondContact O-N 3.34Å; D82-K86 WeakPolarHBondContact O-CG 3.32Å; D82-K86 PolarHBondContact O-N 2.93Å; D82-K86 VanDerWaalsContact O-N 3.11Å
83I98.2Very high98.1Very high102 Ų102100.6 Ų100.652%0.52350%0.502SS..Hα-helixtrans-63.7-44176.1-68.6165.1000110.1E79 R80 Y81 A85 K86 C87E79-I83 WeakPolarHBondContact O-CD1 3.29Å; E79-I83 VanDerWaalsContact O-CG1 3.24Å; E79-I83 WeakPolarHBondContact O-CG1 3.49Å; E79-I83 PolarHBondContact O-N 2.98Å; R80-I83 PolarHBondContact O-N 3.18Å; Y81-I83 PolarHBondContact O-N 2.94Å; I83-A85 PolarHBondContact O-N 3.35Å; I83-K86 PolarHBondContact O-N 3.03Å; I83-C87 WeakPolarHBondContact O-CB 3.48Å; I83-C87 PolarHBondContact O-N 3.39Å; I83-C87 PolarHBondContact O-SG 2.95Å; I83-C87 VanDerWaalsContact O-SG 3.33Å
84E98.3Very high98.1Very high108 Ų108100.2 Ų100.251%0.50550%0.495SS..Hα-helixtrans-61.4-44.1178.2-178.7167-143.600111.8R80 Y81 K86 C87 L88R80-E84 IonicContact NH1-OE2 3.7Å; R80-E84 PolarHBondContact NH1-OE2 3.06Å; R80-E84 WeakPolarHBondContact O-CB 2.93Å; R80-E84 PolarHBondContact O-N 3.46Å; Y81-E84 PolarHBondContact O-N 3.41Å; E84-K86 VanDerWaalsContact C-N 3.35Å; E84-K86 PolarHBondContact O-N 3.11Å; E84-C87 PolarHBondContact O-N 2.8Å; E84-L88 WeakPolarHBondContact O-CB 3.36Å; E84-L88 PolarHBondContact O-N 2.96Å
85A98.3Very high98.1Very high46 Ų46101.6 Ų101.638%0.3850%0.5SS..Hα-helixtrans-59.6-43.8176.100000112Y81 D82 I83 L88 H89Y81-A85 WeakPolarHBondContact O-CB 3.36Å; Y81-A85 PolarHBondContact O-N 3.23Å; D82-A85 PolarHBondContact O-N 3.34Å; I83-A85 PolarHBondContact O-N 3.35Å; A85-L88 PolarHBondContact O-N 2.85Å; A85-H89 PolarHBondContact O-N 3.33Å
86K98.4Very high98Very high135 Ų135101.3 Ų101.359%0.58750%0.495SS*.Hα-helixtrans-63.8-45.2174.8-71.2169.9-174.8165.50111.7D82 I83 E84 L88 H89 N90D82-K86 WeakPolarHBondContact O-CG 3.32Å; D82-K86 PolarHBondContact O-N 2.93Å; D82-K86 VanDerWaalsContact O-N 3.11Å; I83-K86 PolarHBondContact O-N 3.03Å; E84-K86 VanDerWaalsContact C-N 3.35Å; E84-K86 PolarHBondContact O-N 3.11Å; K86-L88 VanDerWaalsContact C-N 3.31Å; K86-L88 PolarHBondContact O-N 3.22Å; K86-H89 WeakPolarHBondContact O-CB 3.35Å; K86-H89 PolarHBondContact O-N 2.82Å; K86-N90 VanDerWaalsContact O-CG 3.26Å; K86-N90 PolarHBondContact O-N 3.02Å; K86-N90 PolarHBondContact O-OD1 3.24Å
87C98.6Very high98Very high67 Ų67101.8 Ų101.845%0.45349%0.494SS..Hα-helixtrans-59.6-41.1176-76.30000112.1I83 E84 T91I83-C87 WeakPolarHBondContact O-CB 3.48Å; I83-C87 PolarHBondContact O-N 3.39Å; I83-C87 PolarHBondContact O-SG 2.95Å; I83-C87 VanDerWaalsContact O-SG 3.33Å; E84-C87 PolarHBondContact O-N 2.8Å; C87-T91 VanDerWaalsContact O-CB 3.29Å; C87-T91 WeakPolarHBondContact O-CB 3.39Å; C87-T91 PolarHBondContact O-N 3.02Å; C87-T91 PolarHBondContact O-OG1 3.28Å
88L98.2Very high97.8Very high101 Ų101104.6 Ų104.653%0.52950%0.503SS..Hα-helixtrans-66.8-41.3176.8-178.164.5000111.9E84 A85 K86 T91 R92E84-L88 WeakPolarHBondContact O-CB 3.36Å; E84-L88 PolarHBondContact O-N 2.96Å; A85-L88 PolarHBondContact O-N 2.85Å; K86-L88 VanDerWaalsContact C-N 3.31Å; K86-L88 PolarHBondContact O-N 3.22Å; L88-T91 PolarHBondContact O-N 3.47Å; L88-R92 WeakPolarHBondContact O-CG 3.41Å; L88-R92 PolarHBondContact O-N 2.87Å; L88-R92 VanDerWaalsContact O-N 3.09Å
89H98.3Very high97.4Very high90 Ų90102.6 Ų102.642%0.41750%0.496SS..Hα-helixtrans-58.4-55173-177.978.9000111.1A85 K86 T91 R92 E93A85-H89 PolarHBondContact O-N 3.33Å; K86-H89 WeakPolarHBondContact O-CB 3.35Å; K86-H89 PolarHBondContact O-N 2.82Å; H89-T91 VanDerWaalsContact C-N 3.26Å; H89-T91 PolarHBondContact O-N 3.02Å; H89-R92 WeakPolarHBondContact O-CB 3.36Å; H89-R92 PolarHBondContact O-N 3.33Å; H89-E93 IonicContact CD2-OE2 2.65Å; H89-E93 IonicContact NE2-OE1 2.73Å; H89-E93 IonicContact NE2-OE2 3.28Å; H89-E93 PolarHBondContact NE2-OE2 3.43Å; H89-E93 PolarHBondContact O-N 2.93Å
90N98.4Very high97.1Very high82 Ų82102.2 Ų102.244%0.43949%0.493SS..Hα-helixtrans-59.3-37.9179.5-66.4-4.8000111.9K86 R92 E93 I94K86-N90 VanDerWaalsContact O-CG 3.26Å; K86-N90 PolarHBondContact O-N 3.02Å; K86-N90 PolarHBondContact O-OD1 3.24Å; N90-R92 VanDerWaalsContact C-N 3.34Å; N90-R92 PolarHBondContact O-N 2.95Å; N90-E93 PolarHBondContact O-N 3.2Å; N90-I94 WeakPolarHBondContact O-CB 3.49Å; N90-I94 WeakPolarHBondContact O-CG1 3.3Å; N90-I94 PolarHBondContact O-N 3.32Å
91T98.4Very high96.8Very high88 Ų88100.4 Ų100.454%0.5449%0.494SS..Hα-helixtrans-62.4-41.3176.4-63.70000111.7C87 L88 H89 K95C87-T91 VanDerWaalsContact O-CB 3.29Å; C87-T91 WeakPolarHBondContact O-CB 3.39Å; C87-T91 PolarHBondContact O-N 3.02Å; C87-T91 PolarHBondContact O-OG1 3.28Å; L88-T91 PolarHBondContact O-N 3.47Å; H89-T91 VanDerWaalsContact C-N 3.26Å; H89-T91 PolarHBondContact O-N 3.02Å; T91-K95 WeakPolarHBondContact O-CB 3.4Å; T91-K95 PolarHBondContact O-N 3.09Å
92R98.2Very high96.2Very high155 Ų15598.1 Ų98.159%0.58549%0.491SS*.Hα-helixtrans-64.5-45.5175.4-73.9-176-71.5-174.3-2.2111.3L88 H89 N90 K95 D96L88-R92 WeakPolarHBondContact O-CG 3.41Å; L88-R92 PolarHBondContact O-N 2.87Å; L88-R92 VanDerWaalsContact O-N 3.09Å; H89-R92 WeakPolarHBondContact O-CB 3.36Å; H89-R92 PolarHBondContact O-N 3.33Å; N90-R92 VanDerWaalsContact C-N 3.34Å; N90-R92 PolarHBondContact O-N 2.95Å; R92-K95 WeakPolarHBondContact O-CB 3.47Å; R92-K95 PolarHBondContact O-N 3.21Å; R92-D96 PolarHBondContact O-N 3.13Å
93E98.1Very high95.6Very high97 Ų97100.4 Ų100.445%0.45350%0.504SS..Hα-helixtrans-62.6-44.9177.1-67.1-167.1113.600112.3H89 N90 K95 D96 L97H89-E93 IonicContact CD2-OE2 2.65Å; H89-E93 IonicContact NE2-OE1 2.73Å; H89-E93 IonicContact NE2-OE2 3.28Å; H89-E93 PolarHBondContact NE2-OE2 3.43Å; H89-E93 PolarHBondContact O-N 2.93Å; N90-E93 PolarHBondContact O-N 3.2Å; E93-K95 VanDerWaalsContact C-N 3.26Å; E93-K95 PolarHBondContact O-N 2.99Å; E93-D96 PolarHBondContact O-N 3.45Å; E93-L97 WeakPolarHBondContact O-CB 3.22Å; E93-L97 VanDerWaalsContact O-CG 3.3Å; E93-L97 WeakPolarHBondContact O-CG 3.37Å; E93-L97 PolarHBondContact O-N 3.29Å
94I98Very high95.1Very high87 Ų87102.7 Ų102.745%0.44652%0.516SS..Hα-helixtrans-59.4-40.4175.8-71.7165.7000110.7N90 K98N90-I94 WeakPolarHBondContact O-CB 3.49Å; N90-I94 WeakPolarHBondContact O-CG1 3.3Å; N90-I94 PolarHBondContact O-N 3.32Å; I94-K98 HydrophobicContact CG2-CD 3.99Å; I94-K98 HydrophobicContact CG2-CG 4.44Å; I94-K98 WeakPolarHBondContact O-CB 3.47Å; I94-K98 VanDerWaalsContact O-CG 3.22Å; I94-K98 WeakPolarHBondContact O-CG 3.34Å; I94-K98 PolarHBondContact O-N 3.31Å
95K96.6Very high94.3Very high145 Ų145106.3 Ų106.363%0.6353%0.525SS*.Hα-helixtrans-64.6-46.3177.4-174.4-178.7178.1-177.90111.2T91 R92 E93 K98 L99T91-K95 WeakPolarHBondContact O-CB 3.4Å; T91-K95 PolarHBondContact O-N 3.09Å; R92-K95 WeakPolarHBondContact O-CB 3.47Å; R92-K95 PolarHBondContact O-N 3.21Å; E93-K95 VanDerWaalsContact C-N 3.26Å; E93-K95 PolarHBondContact O-N 2.99Å; K95-K98 PolarHBondContact O-N 2.93Å; K95-L99 WeakPolarHBondContact O-CG 3.39Å; K95-L99 PolarHBondContact O-N 3.09Å; K95-L99 VanDerWaalsContact O-N 3.07Å
96D96.7Very high93.4Very high72 Ų72105.9 Ų105.939%0.38553%0.525SS..Hα-helixtrans-61.4-46.9176.9-179.660.6000111.8R92 E93 K98 L99 K100R92-D96 PolarHBondContact O-N 3.13Å; E93-D96 PolarHBondContact O-N 3.45Å; D96-K98 VanDerWaalsContact C-N 3.34Å; D96-K98 PolarHBondContact O-N 2.94Å; D96-L99 WeakPolarHBondContact O-CB 3.4Å; D96-L99 PolarHBondContact O-N 3.26Å; D96-L99 VanDerWaalsContact O-N 3.12Å; D96-K100 WeakPolarHBondContact O-CG 3.44Å; D96-K100 PolarHBondContact O-N 2.98Å; D96-K100 WeakPolarHBondContact OD2-CE 3.09Å; D96-K100 IonicContact OD2-NZ 3.99Å; D96-K100 PolarHBondContact OD2-NZ 3.32Å
97L96.4Very high92Very high97 Ų97109.8 Ų109.851%0.50854%0.542SS..Hα-helixtrans-61.4-39.8175.5-70.9173.5000112.3E93 L99 K100 V101E93-L97 WeakPolarHBondContact O-CB 3.22Å; E93-L97 VanDerWaalsContact O-CG 3.3Å; E93-L97 WeakPolarHBondContact O-CG 3.37Å; E93-L97 PolarHBondContact O-N 3.29Å; L97-L99 VanDerWaalsContact C-N 3.31Å; L97-L99 PolarHBondContact O-N 3.14Å; L97-K100 HydrophobicContact CD2-CD 4.4Å; L97-K100 PolarHBondContact O-N 2.95Å; L97-V101 WeakPolarHBondContact O-CB 3.38Å; L97-V101 VanDerWaalsContact O-CG2 3.27Å; L97-V101 WeakPolarHBondContact O-CG2 3.35Å; L97-V101 PolarHBondContact O-N 2.94Å
98K93.2Very high90.6Very high137 Ų137114.1 Ų114.160%0.59655%0.553SS**Hα-helixtrans-60.8-40.3174.3-80.8171.5178.4174.30111.8I94 K95 D96 V101 L102I94-K98 HydrophobicContact CG2-CD 3.99Å; I94-K98 HydrophobicContact CG2-CG 4.44Å; I94-K98 WeakPolarHBondContact O-CB 3.47Å; I94-K98 VanDerWaalsContact O-CG 3.22Å; I94-K98 WeakPolarHBondContact O-CG 3.34Å; I94-K98 PolarHBondContact O-N 3.31Å; K95-K98 PolarHBondContact O-N 2.93Å; D96-K98 VanDerWaalsContact C-N 3.34Å; D96-K98 PolarHBondContact O-N 2.94Å; K98-V101 PolarHBondContact O-N 3.41Å; K98-L102 VanDerWaalsContact O-CG 3.3Å; K98-L102 WeakPolarHBondContact O-CG 3.27Å; K98-L102 PolarHBondContact O-N 3.33Å
99L91.2Very high89.1Confident90 Ų90118.3 Ų118.347%0.47157%0.567SS.*Hα-helixtrans-65.6-47.6175.2-68.4172.9000111.1K95 D96 L97 V101 L102 D103K95-L99 WeakPolarHBondContact O-CG 3.39Å; K95-L99 PolarHBondContact O-N 3.09Å; K95-L99 VanDerWaalsContact O-N 3.07Å; D96-L99 WeakPolarHBondContact O-CB 3.4Å; D96-L99 PolarHBondContact O-N 3.26Å; D96-L99 VanDerWaalsContact O-N 3.12Å; L97-L99 VanDerWaalsContact C-N 3.31Å; L97-L99 PolarHBondContact O-N 3.14Å; L99-V101 VanDerWaalsContact C-N 3.29Å; L99-V101 PolarHBondContact O-N 3.23Å; L99-L102 HydrophobicContact CD2-CD1 4.48Å; L99-L102 WeakPolarHBondContact O-CA 3.33Å; L99-L102 WeakPolarHBondContact O-CB 3.23Å; L99-L102 PolarHBondContact O-N 3.15Å; L99-D103 PolarHBondContact O-N 3.39Å
100K91.5Very high87.8Confident105 Ų105124.2 Ų124.246%0.45759%0.586SS.*Hα-helixtrans-56.2-42.5174.7-71.8169.5174.2165.90112.3D96 L97 L102 D103 L104D96-K100 WeakPolarHBondContact O-CG 3.44Å; D96-K100 PolarHBondContact O-N 2.98Å; D96-K100 WeakPolarHBondContact OD2-CE 3.09Å; D96-K100 IonicContact OD2-NZ 3.99Å; D96-K100 PolarHBondContact OD2-NZ 3.32Å; L97-K100 HydrophobicContact CD2-CD 4.4Å; L97-K100 PolarHBondContact O-N 2.95Å; K100-L102 VanDerWaalsContact C-N 3.32Å; K100-L102 PolarHBondContact O-N 3.42Å; K100-D103 PolarHBondContact O-N 3.46Å; K100-L104 WeakPolarHBondContact O-CB 3.49Å; K100-L104 VanDerWaalsContact O-CG 3.24Å; K100-L104 WeakPolarHBondContact O-CG 3.46Å; K100-L104 PolarHBondContact O-N 3.02Å
101V90.6Very high86.7Confident77 Ų77123.9 Ų123.947%0.46759%0.588SS.*Hα-helixtrans-63.3-38175.5168.60000111.4L97 K98 L99 R105L97-V101 WeakPolarHBondContact O-CB 3.38Å; L97-V101 VanDerWaalsContact O-CG2 3.27Å; L97-V101 WeakPolarHBondContact O-CG2 3.35Å; L97-V101 PolarHBondContact O-N 2.94Å; K98-V101 PolarHBondContact O-N 3.41Å; L99-V101 VanDerWaalsContact C-N 3.29Å; L99-V101 PolarHBondContact O-N 3.23Å; V101-R105 HydrophobicContact CG1-CG 4.46Å; V101-R105 WeakPolarHBondContact O-CB 3.44Å; V101-R105 WeakPolarHBondContact O-CG 3.22Å; V101-R105 PolarHBondContact O-N 3.27Å
102L86.6Confident85.6Confident100 Ų100125.6 Ų125.652%0.52460%0.601SS.*Hα-helixtrans-66-43.8175.4-71.5166000111.6K98 L99 K100 R105 G106K98-L102 VanDerWaalsContact O-CG 3.3Å; K98-L102 WeakPolarHBondContact O-CG 3.27Å; K98-L102 PolarHBondContact O-N 3.33Å; L99-L102 HydrophobicContact CD2-CD1 4.48Å; L99-L102 WeakPolarHBondContact O-CA 3.33Å; L99-L102 WeakPolarHBondContact O-CB 3.23Å; L99-L102 PolarHBondContact O-N 3.15Å; K100-L102 VanDerWaalsContact C-N 3.32Å; K100-L102 PolarHBondContact O-N 3.42Å; L102-R105 PolarHBondContact O-N 3.31Å; L102-G106 PolarHBondContact O-N 3.41Å
103D86.1Confident84.2Confident128 Ų128126.1 Ų126.168%0.68461%0.614SS**Hα-helixtrans-63.9-42.4177.6-68.2-25.9000111.7L99 K100 G106L99-D103 PolarHBondContact O-N 3.39Å; K100-D103 PolarHBondContact O-N 3.46Å; D103-G106 WeakPolarHBondContact O-CA 3.47Å; D103-G106 PolarHBondContact O-N 2.84Å
104L87.5Confident83.1Confident150 Ų150132.3 Ų132.379%0.78563%0.634SS**Hα-helixtrans-65.8-35.8176.2-72.7173.9000113.3K100 G106K100-L104 WeakPolarHBondContact O-CB 3.49Å; K100-L104 VanDerWaalsContact O-CG 3.24Å; K100-L104 WeakPolarHBondContact O-CG 3.46Å; K100-L104 PolarHBondContact O-N 3.02Å; L104-G106 PolarHBondContact O-N 3.1Å
105R81.8Confident81.8Confident183 Ų183139 Ų13969%0.69165%0.654SS**THydrogen-bonded Turntrans-67.5-9.9172.9-72174.892-178.110.6112.3V101 L102V101-R105 HydrophobicContact CG1-CG 4.46Å; V101-R105 WeakPolarHBondContact O-CB 3.44Å; V101-R105 WeakPolarHBondContact O-CG 3.22Å; V101-R105 PolarHBondContact O-N 3.27Å; L102-R105 PolarHBondContact O-N 3.31Å
106G78.2Confident80.3Confident37 Ų37137.7 Ų137.738%0.38166%0.657SS.*  trans77.5160.9-178.300000112.6L102 D103 L104 F108L102-G106 PolarHBondContact O-N 3.41Å; D103-G106 WeakPolarHBondContact O-CA 3.47Å; D103-G106 PolarHBondContact O-N 2.84Å; L104-G106 PolarHBondContact O-N 3.1Å; G106-F108 PolarHBondContact O-N 3.14Å
107K70.2Confident78.7Confident217 Ų217145.7 Ų145.794%0.94368%0.682SS**SBendtrans-63.317.1176.164.1-178175.2-174.90115.2K109K107-K109 VanDerWaalsContact C-N 3.34Å; K107-K109 PolarHBondContact O-N 3.09Å
108F67.8Low77.1Confident158 Ų158144.5 Ų144.569%0.69368%0.679SS**  trans-80.682.2178.2-157.2-97.1000109.3G106 R110G106-F108 PolarHBondContact O-N 3.14Å; F108-R110 PolarHBondContact O-N 3.01Å
109K68.1Low75.9Confident189 Ų189140.9 Ų140.982%0.82267%0.67SS**  trans-55.1118161-72.7-155.2-179.2-170.60106.5K107 P111K107-K109 VanDerWaalsContact C-N 3.34Å; K107-K109 PolarHBondContact O-N 3.09Å; K109-P111 WeakPolarHBondContact O-CD 3.34Å
110R70.2Confident74.7Confident215 Ų215140 Ų14081%0.81168%0.676SS**  trans-54.2112.8171.2-82.7-173.7175.6-149.9-2107F108F108-R110 PolarHBondContact O-N 3.01Å
111P76Confident73.5Confident74 Ų74139.9 Ų139.948%0.48168%0.68SS.*  trans-58.6142.6175.8-20.532.9000107.8K109 L113K109-P111 WeakPolarHBondContact O-CD 3.34Å; P111-L113 PolarHBondContact O-N 2.86Å
112P73.7Confident72.6Confident124 Ų124138.4 Ų138.481%0.80568%0.676SS**  trans-58.4105.8169.824.8-32000107.7R114P112-R114 PolarHBondContact O-N 2.65Å
113L68.7Low71.9Confident166 Ų166138.9 Ų138.987%0.86968%0.677SS**  trans-68.2103.6177.2-66.6175.2000107.1P111 R115P111-L113 PolarHBondContact O-N 2.86Å; L113-R115 PolarHBondContact O-N 3.44Å
114R76.2Confident71Confident228 Ų228136.7 Ų136.786%0.8667%0.665SS**  trans-59.1137.3164.6-64.4-173.6110.8-153.23.8107P112 V116P112-R114 PolarHBondContact O-N 2.65Å; R114-V116 VanDerWaalsContact C-N 3.3Å; R114-V116 PolarHBondContact O-N 3.32Å
115R70.8Confident70.1Confident228 Ų228136.8 Ų136.886%0.8666%0.655SS**  trans-62.195.8170.3-86.5-175.5176.1-163.2-1.6108.1L113 R117L113-R115 PolarHBondContact O-N 3.44Å; R115-R117 PolarHBondContact O-N 3.12Å; R115-R117 VanDerWaalsContact O-N 3.15Å
116V64.4Low69.8Low116 Ų116132.1 Ų132.170%0.70366%0.655SS**  trans-78.2101.7169.1-164.60000106.1R114 V118R114-V116 VanDerWaalsContact C-N 3.3Å; R114-V116 PolarHBondContact O-N 3.32Å; V116-V118 HydrophobicContact CB-CG2 4.25Å; V116-V118 HydrophobicContact CG1-CG2 3.39Å; V116-V118 PolarHBondContact O-N 2.92Å
117R64.5Low69.6Low241 Ų241136.7 Ų136.791%0.90967%0.67SS**  trans-71.568.1161.4-79.4-175.8154.4-172.1-4.1107.7R115 S119R115-R117 PolarHBondContact O-N 3.12Å; R115-R117 VanDerWaalsContact O-N 3.15Å; R117-S119 PolarHBondContact O-N 3.4Å
118V62.1Low69.6Low72 Ų72130.3 Ų130.344%0.43665%0.646SS.*  trans-65.4102.1156.4-175.60000103.3V116 A122 M123V116-V118 HydrophobicContact CB-CG2 4.25Å; V116-V118 HydrophobicContact CG1-CG2 3.39Å; V116-V118 PolarHBondContact O-N 2.92Å; V118-A122 HydrophobicContact CG1-CB 3.5Å; V118-M123 HydrophobicContact CG1-CB 3.8Å
119S68Low69.5Low60 Ų60124.4 Ų124.442%0.4263%0.63SS.*  trans-54.6150.417061.80000107.5R117 D121 A122 M123R117-S119 PolarHBondContact O-N 3.4Å; S119-D121 PolarHBondContact O-N 3.07Å; S119-A122 PolarHBondContact O-N 2.9Å; S119-A122 PolarHBondContact OG-N 3.09Å; S119-M123 PolarHBondContact O-N 2.92Å
120A65.7Low69.3Low72 Ų72120.9 Ų120.960%0.59563%0.629SS**Hα-helixtrans-46.1-36.6175.500000111.1A122 M123 L124A120-A122 PolarHBondContact O-N 3.33Å; A120-M123 PolarHBondContact O-N 3.3Å; A120-L124 VanDerWaalsContact O-CB 3.31Å; A120-L124 WeakPolarHBondContact O-CB 3.49Å; A120-L124 WeakPolarHBondContact O-CD1 3.43Å; A120-L124 WeakPolarHBondContact O-CG 3.22Å; A120-L124 PolarHBondContact O-N 3.26Å
121D66.1Low68.6Low102 Ų102120 Ų12055%0.54563%0.631SS.*Hα-helixtrans-59.9-40.5174.7-55.4-49.2000114.9S119 R125S119-D121 PolarHBondContact O-N 3.07Å; D121-R125 WeakPolarHBondContact O-CB 3.49Å; D121-R125 PolarHBondContact O-N 3.21Å
122A71.7Confident67.5Low46 Ų46121.7 Ų121.738%0.3863%0.632SS.*Hα-helixtrans-73-33.2178.500000111.7V118 S119 A120 A126V118-A122 HydrophobicContact CG1-CB 3.5Å; S119-A122 PolarHBondContact O-N 2.9Å; S119-A122 PolarHBondContact OG-N 3.09Å; A120-A122 PolarHBondContact O-N 3.33Å; A122-A126 WeakPolarHBondContact O-CB 3.24Å; A122-A126 PolarHBondContact O-N 3.24Å; A122-A126 VanDerWaalsContact O-N 3.16Å
123M72.4Confident66.5Low111 Ų111123.8 Ų123.855%0.54763%0.629SS.*Hα-helixtrans-70.2-44.4173.1-178.5178.1-77.500110.8V118 S119 A120 R125 A126 L127V118-M123 HydrophobicContact CG1-CB 3.8Å; S119-M123 PolarHBondContact O-N 2.92Å; A120-M123 PolarHBondContact O-N 3.3Å; M123-R125 VanDerWaalsContact C-N 3.35Å; M123-R125 PolarHBondContact O-N 3.02Å; M123-A126 PolarHBondContact O-N 2.98Å; M123-L127 HydrophobicContact CG-CD1 3.85Å; M123-L127 HydrophobicContact CG-CG 4.42Å; M123-L127 WeakPolarHBondContact O-CB 3.38Å; M123-L127 WeakPolarHBondContact O-CG 3.36Å; M123-L127 PolarHBondContact O-N 3.31Å
124L66.1Low65.7Low81 Ų81119.2 Ų119.242%0.42461%0.607SS.*Hα-helixtrans-61-43.1175.9-74.6165.5000111.3A120 A126 L127 L128A120-L124 VanDerWaalsContact O-CB 3.31Å; A120-L124 WeakPolarHBondContact O-CB 3.49Å; A120-L124 WeakPolarHBondContact O-CD1 3.43Å; A120-L124 WeakPolarHBondContact O-CG 3.22Å; A120-L124 PolarHBondContact O-N 3.26Å; L124-A126 VanDerWaalsContact C-N 3.29Å; L124-A126 PolarHBondContact O-N 3.43Å; L124-L127 PolarHBondContact O-N 2.91Å; L124-L128 HydrophobicContact CB-CD1 4.38Å; L124-L128 HydrophobicContact CD2-CD1 3.7Å; L124-L128 VanDerWaalsContact O-CB 3.23Å; L124-L128 WeakPolarHBondContact O-CB 3.45Å; L124-L128 WeakPolarHBondContact O-CG 3.18Å; L124-L128 PolarHBondContact O-N 3.33Å
125R70.1Confident64.3Low152 Ų152112.8 Ų112.857%0.57460%0.598SS**Hα-helixtrans-64.7-32.8177-166.1177.9-67.8165.61.5112.6D121 M123 G129D121-R125 WeakPolarHBondContact O-CB 3.49Å; D121-R125 PolarHBondContact O-N 3.21Å; M123-R125 VanDerWaalsContact C-N 3.35Å; M123-R125 PolarHBondContact O-N 3.02Å; R125-G129 CarbonylContact O-C 3.45Å; R125-G129 WeakPolarHBondContact O-CA 3.44Å; R125-G129 PolarHBondContact O-N 3.49Å
126A74Confident63.4Low85 Ų85108.1 Ų108.170%0.70259%0.587SS**Hα-helixtrans-75.8-39.7175.600000112.8A122 M123 L124A122-A126 WeakPolarHBondContact O-CB 3.24Å; A122-A126 PolarHBondContact O-N 3.24Å; A122-A126 VanDerWaalsContact O-N 3.16Å; M123-A126 PolarHBondContact O-N 2.98Å; L124-A126 VanDerWaalsContact C-N 3.29Å; L124-A126 PolarHBondContact O-N 3.43Å
127L74.3Confident62.8Low133 Ų133107.8 Ų107.870%0.69658%0.581SS**Hα-helixtrans-77.4-37.9-179.8-72.9172.3000113.2M123 L124M123-L127 HydrophobicContact CG-CD1 3.85Å; M123-L127 HydrophobicContact CG-CG 4.42Å; M123-L127 WeakPolarHBondContact O-CB 3.38Å; M123-L127 WeakPolarHBondContact O-CG 3.36Å; M123-L127 PolarHBondContact O-N 3.31Å; L124-L127 PolarHBondContact O-N 2.91Å
128L70.9Confident62.5Low84 Ų84101.6 Ų101.644%0.4457%0.566SS.*SBendtrans-103.34-172.1-54.7172.3000112.6L124 H132L124-L128 HydrophobicContact CB-CD1 4.38Å; L124-L128 HydrophobicContact CD2-CD1 3.7Å; L124-L128 VanDerWaalsContact O-CB 3.23Å; L124-L128 WeakPolarHBondContact O-CB 3.45Å; L124-L128 WeakPolarHBondContact O-CG 3.18Å; L124-L128 PolarHBondContact O-N 3.33Å; L128-H132 HydrophobicContact CB-CB 3.52Å; L128-H132 HydrophobicContact CD1-CB 4.16Å; L128-H132 HydrophobicContact CG-CB 4.45Å
129G65.1Low62.3Low34 Ų34107.8 Ų107.835%0.35158%0.581SS.*  trans65.3-179.6-177.300000113.6R125 K131 H132R125-G129 CarbonylContact O-C 3.45Å; R125-G129 WeakPolarHBondContact O-CA 3.44Å; R125-G129 PolarHBondContact O-N 3.49Å; G129-K131 PolarHBondContact O-N 2.96Å; G129-K131 VanDerWaalsContact O-N 3.09Å; G129-H132 PolarHBondContact O-N 2.89Å
130S64.4Low62.1Low114 Ų114109.2 Ų109.280%0.79760%0.597SS**THydrogen-bonded Turntrans-64.9-14.2-177.371.90000114.3
131K56.2Low62.2Low197 Ų197113.1 Ų113.186%0.85761%0.608SS**THydrogen-bonded Turntrans-83.5-21-174.7-66-161179-165.10114G129 K133G129-K131 PolarHBondContact O-N 2.96Å; G129-K131 VanDerWaalsContact O-N 3.09Å; K131-K133 PolarHBondContact O-N 3.32Å
132H52Low61.4Low109 Ų109114 Ų11451%0.50561%0.612SS.*  trans-10259.8178.2-126.564.2000109.9L128 G129 V134L128-H132 HydrophobicContact CB-CB 3.52Å; L128-H132 HydrophobicContact CD1-CB 4.16Å; L128-H132 HydrophobicContact CG-CB 4.45Å; G129-H132 PolarHBondContact O-N 2.89Å; H132-V134 HydrophobicContact CB-CG2 4.23Å; H132-V134 WeakPolarHBondContact CD2-CG2 3.3Å; H132-V134 WeakPolarHBondContact NE2-CG2 3.41Å; H132-V134 PolarHBondContact O-N 3.3Å
133K52.3Low60.7Low168 Ų168121.6 Ų121.673%0.7364%0.636SS**  trans-7176.2154-152.4-173.9-167.4-166.50104.9K131 S135K131-K133 PolarHBondContact O-N 3.32Å; K133-S135 PolarHBondContact O-N 3.46Å
134V52.1Low59.9Low70 Ų70121.8 Ų121.842%0.42465%0.648SS.*  trans-67.185.1166.6-158.10000103.7H132 M136H132-V134 HydrophobicContact CB-CG2 4.23Å; H132-V134 WeakPolarHBondContact CD2-CG2 3.3Å; H132-V134 WeakPolarHBondContact NE2-CG2 3.41Å; H132-V134 PolarHBondContact O-N 3.3Å; V134-M136 HydrophobicContact CB-CG 4.25Å; V134-M136 HydrophobicContact CG1-CB 4.1Å; V134-M136 HydrophobicContact CG1-CG 3.33Å; V134-M136 PolarHBondContact O-N 3.48Å
135S47.9Very low58.9Low94 Ų94123.6 Ų123.666%0.65766%0.663SS**  trans-55.183.6137.753.70000103.8K133 D137K133-S135 PolarHBondContact O-N 3.46Å; S135-D137 PolarHBondContact O-N 2.98Å
136M51.9Low57.5Low130 Ų130126.1 Ų126.164%0.6468%0.678SS**  trans-63.291.6157.8-86.1-158.275.900101V134 L138V134-M136 HydrophobicContact CB-CG 4.25Å; V134-M136 HydrophobicContact CG1-CB 4.1Å; V134-M136 HydrophobicContact CG1-CG 3.33Å; V134-M136 PolarHBondContact O-N 3.48Å; M136-L138 HydrophobicContact CB-CG 4.07Å; M136-L138 HydrophobicContact CE-CD2 3.73Å; M136-L138 HydrophobicContact CE-CG 4.48Å; M136-L138 PolarHBondContact O-N 2.92Å
137D52Low56.2Low108 Ų108131.5 Ų131.558%0.57869%0.685SS**  trans-68.575.1169.3-133.3-19.5000104.1S135 R139 A140S135-D137 PolarHBondContact O-N 2.98Å; D137-R139 PolarHBondContact O-N 3.01Å; D137-A140 HydrophobicContact CB-CB 4.2Å; D137-A140 WeakPolarHBondContact O-CB 3.18Å; D137-A140 PolarHBondContact O-N 3.06Å
138L57Low54.5Low112 Ų112133.6 Ų133.659%0.58669%0.691SS**THydrogen-bonded Turntrans-57.6-19.7176-73159.4000109.2M136 L142M136-L138 HydrophobicContact CB-CG 4.07Å; M136-L138 HydrophobicContact CE-CD2 3.73Å; M136-L138 HydrophobicContact CE-CG 4.48Å; M136-L138 PolarHBondContact O-N 2.92Å; L138-L142 VanDerWaalsContact O-CD1 3.25Å; L138-L142 WeakPolarHBondContact O-CD1 3.07Å; L138-L142 WeakPolarHBondContact O-CG 3.25Å
139R59.1Low52.8Low202 Ų202137.2 Ų137.276%0.76271%0.711SS**THydrogen-bonded Turntrans-69.6-31172.3-149.7175.7-177.51310.6113.4D137 N141 L142D137-R139 PolarHBondContact O-N 3.01Å; R139-N141 PolarHBondContact O-N 3.25Å; R139-L142 PolarHBondContact O-N 2.78Å; R139-L142 VanDerWaalsContact O-N 3.15Å
140A62.5Low51.4Low90 Ų90141.5 Ų141.574%0.74473%0.731SS**THydrogen-bonded Turntrans-65.1-24.2-179.400000112.9D137D137-A140 HydrophobicContact CB-CB 4.2Å; D137-A140 WeakPolarHBondContact O-CB 3.18Å; D137-A140 PolarHBondContact O-N 3.06Å
141N67.2Low50.2Low154 Ų154144.7 Ų144.782%0.82473%0.733SS**THydrogen-bonded Turntrans-106.67.2177.1-15213.2000113.6R139R139-N141 PolarHBondContact O-N 3.25Å
142L50.6Low49.4Very low121 Ų121144.2 Ų144.263%0.63473%0.731SS**SBendtrans-110.5115177.3-70.8170.9000108.8L138 R139 S144L138-L142 VanDerWaalsContact O-CD1 3.25Å; L138-L142 WeakPolarHBondContact O-CD1 3.07Å; L138-L142 WeakPolarHBondContact O-CG 3.25Å; R139-L142 PolarHBondContact O-N 2.78Å; R139-L142 VanDerWaalsContact O-N 3.15Å; L142-S144 PolarHBondContact O-N 3.02Å; L142-S144 VanDerWaalsContact O-N 3.08Å
143K56.9Low48.5Very low204 Ų204146.4 Ų146.489%0.88774%0.742SS**  trans-52.2118.9172-87.9-179.3172-179.50109V145K143-V145 PolarHBondContact O-N 3.18Å
144S55.8Low47.9Very low115 Ų115148.2 Ų148.280%0.80474%0.744SS**  trans-65.598.9172.549.90000109.2L142L142-S144 PolarHBondContact O-N 3.02Å; L142-S144 VanDerWaalsContact O-N 3.08Å
145V44.1Very low47.3Very low119 Ų119150.8 Ų150.872%0.72176%0.762SS**  trans-90.1122.5164-179.20000106.9K143 K147K143-V145 PolarHBondContact O-N 3.18Å; V145-K147 PolarHBondContact O-N 2.78Å
146K40.7Very low47.3Very low206 Ų206152.4 Ų152.490%0.89677%0.768SS**  trans-6299.4-179.3-161.3174.5-178-177.90108.1
147K47.9Very low46.9Very low197 Ų197154.9 Ų154.986%0.85778%0.778SS**  trans-89.5114.1171.5-86.6-161.8171.7-169.70108V145V145-K147 PolarHBondContact O-N 2.78Å
148E38.3Very low46.6Very low177 Ų177157 Ų15783%0.82779%0.794SS**  trans-58.9144.7164.5-72.4-147.9130.900110.8T150E148-T150 PolarHBondContact O-N 3.38Å
149D34.9Very low45.9Very low160 Ų160154.5 Ų154.586%0.85680%0.795SS**  trans-52.2117.8175.2-76.1-61.6000110.9
150T36.6Very low45.9Very low124 Ų124149 Ų14976%0.76178%0.781SS**  trans-133.278.5154.5-32.70000107.9E148 K152E148-T150 PolarHBondContact O-N 3.38Å; T150-K152 PolarHBondContact O-N 3.34Å
151E39.1Very low45.8Very low182 Ų182152.1 Ų152.185%0.8577%0.773SS**  trans-37.7116.9148.7-146.3-178.8156.700109.9
152K38.7Very low45.9Very low187 Ų187152.2 Ų152.281%0.81376%0.762SS**  trans-175.897.8155.5-100.4159.8-164.4-175.80110.7T150T150-K152 PolarHBondContact O-N 3.34Å
153E32Very low46.6Very low155 Ų155154 Ų15472%0.72477%0.765SS**  53.7113.6122.8-135-174.2-158.200119.2
154R39.8Very low47.1Very low205 Ų205149.1 Ų149.177%0.77475%0.748SS**  170.2133101.8-88.6-179.3-69.7-135.83.6111.2V156R154-V156 PolarHBondContact O-N 3.31Å
155P39.5Very low47.4Very low124 Ų124147.4 Ų147.481%0.80573%0.733SS**  trans-73.5109.9179.830.8-31.1000108.7E157P155-E157 VanDerWaalsContact C-N 3.32Å; P155-E157 PolarHBondContact O-N 3.05Å
156V48.6Very low48.5Very low128 Ų128148.4 Ų148.478%0.77673%0.73SS**  trans-7394.6173.9-177.70000107.3R154 V158R154-V156 PolarHBondContact O-N 3.31Å; V156-V158 PolarHBondContact O-N 3.19Å
157E44.1Very low49.6Very low183 Ų183141.8 Ų141.886%0.85571%0.713SS**  trans-44128.1163.6-100.8-179.9161.100109.4P155 G159P155-E157 VanDerWaalsContact C-N 3.32Å; P155-E157 PolarHBondContact O-N 3.05Å; E157-G159 PolarHBondContact O-N 2.93Å
158V45.7Very low50.2Low153 Ų153136.8 Ų136.893%0.92769%0.694SS**  trans-75.868.8-173.1-173.30000109.3V156V156-V158 PolarHBondContact O-N 3.19Å
159G42.2Very low51.3Low58 Ų58132.7 Ų132.760%0.59869%0.685SS**  trans-78.9148.4167.500000111.6E157 W161E157-G159 PolarHBondContact O-N 2.93Å; G159-W161 PolarHBondContact O-N 3.24Å
160D58.8Low52.9Low86 Ų86126.6 Ų126.646%0.4666%0.66SS.*  trans-39.2118.1-170.9-165.75.4000114.3R162 K163D160-R162 PolarHBondContact O-N 3.31Å; D160-K163 WeakPolarHBondContact O-CB 3.43Å; D160-K163 PolarHBondContact O-N 3Å
161W60.1Low54.4Low157 Ų157129 Ų12960%0.59567%0.665SS**Hα-helixtrans-55.7-21.1-175.164.6-73.6000114.2G159 N164 V165G159-W161 PolarHBondContact O-N 3.24Å; W161-N164 PolarHBondContact O-N 2.98Å; W161-V165 WeakPolarHBondContact O-CG2 3.32Å; W161-V165 PolarHBondContact O-N 2.91Å
162R68.8Low55.5Low156 Ų156127.9 Ų127.959%0.58966%0.659SS**Hα-helixtrans-60.6-42.8171-73.1-170.3177.5106.3-7.1112.3D160 N164 V165 E166D160-R162 PolarHBondContact O-N 3.31Å; R162-N164 VanDerWaalsContact C-N 3.31Å; R162-N164 PolarHBondContact O-N 3.45Å; R162-V165 PolarHBondContact O-N 3.15Å; R162-E166 PolarHBondContact O-N 2.99Å; R162-E166 VanDerWaalsContact O-N 3.15Å
163K65.3Low56.9Low159 Ų159119.2 Ų119.269%0.69162%0.623SS**Hα-helixtrans-65.3-35176.4-72.7-173.9176.2-177.90111.9D160 V165 E166 A167D160-K163 WeakPolarHBondContact O-CB 3.43Å; D160-K163 PolarHBondContact O-N 3Å; K163-V165 VanDerWaalsContact C-N 3.32Å; K163-V165 PolarHBondContact O-N 2.85Å; K163-E166 PolarHBondContact O-N 3.08Å; K163-A167 WeakPolarHBondContact O-CB 3.46Å; K163-A167 PolarHBondContact O-N 2.82Å
164N68.2Low58.5Low100 Ų100121.2 Ų121.254%0.53562%0.624SS.*Hα-helixtrans-67-33.5177.9-161.969.4000112.3W161 R162 M168W161-N164 PolarHBondContact O-N 2.98Å; R162-N164 VanDerWaalsContact C-N 3.31Å; R162-N164 PolarHBondContact O-N 3.45Å; N164-M168 WeakPolarHBondContact O-CB 3.18Å; N164-M168 VanDerWaalsContact O-CG 3.22Å; N164-M168 WeakPolarHBondContact O-CG 3.31Å; N164-M168 PolarHBondContact O-N 2.8Å
165V62Low60Low79 Ų79117.3 Ų117.348%0.47961%0.612SS.*Hα-helixtrans-72.9-39.8175.4174.10000111.8W161 R162 K163 M168 S169W161-V165 WeakPolarHBondContact O-CG2 3.32Å; W161-V165 PolarHBondContact O-N 2.91Å; R162-V165 PolarHBondContact O-N 3.15Å; K163-V165 VanDerWaalsContact C-N 3.32Å; K163-V165 PolarHBondContact O-N 2.85Å; V165-M168 PolarHBondContact O-N 3.15Å; V165-S169 WeakPolarHBondContact O-CB 3.49Å; V165-S169 PolarHBondContact O-N 3.28Å; V165-S169 PolarHBondContact O-OG 3.2Å
166E67Low61.7Low141 Ų141118.7 Ų118.766%0.65961%0.606SS**Hα-helixtrans-66-44.2176-73.5178167.300111.7R162 K163 M168 S169 G170R162-E166 PolarHBondContact O-N 2.99Å; R162-E166 VanDerWaalsContact O-N 3.15Å; K163-E166 PolarHBondContact O-N 3.08Å; E166-M168 VanDerWaalsContact C-N 3.27Å; E166-M168 PolarHBondContact O-N 2.98Å; E166-S169 PolarHBondContact O-N 3.46Å; E166-S169 VanDerWaalsContact O-N 3.14Å; E166-G170 PolarHBondContact O-N 2.81Å
167A64.8Low62.6Low66 Ų66118 Ų11855%0.54560%0.596SS.*Hα-helixtrans-61.5-33.6176.200000112.9K163 G173K163-A167 WeakPolarHBondContact O-CB 3.46Å; K163-A167 PolarHBondContact O-N 2.82Å; A167-G173 WeakPolarHBondContact O-CA 3.38Å
168M60.2Low63.7Low93 Ų93115.6 Ų115.646%0.45858%0.582SS.*Hα-helixtrans-82.4-22.3176.5-71.5-81.2-110.500113.5N164 V165 E166 M177N164-M168 WeakPolarHBondContact O-CB 3.18Å; N164-M168 VanDerWaalsContact O-CG 3.22Å; N164-M168 WeakPolarHBondContact O-CG 3.31Å; N164-M168 PolarHBondContact O-N 2.8Å; V165-M168 PolarHBondContact O-N 3.15Å; E166-M168 VanDerWaalsContact C-N 3.27Å; E166-M168 PolarHBondContact O-N 2.98Å; M168-M177 HydrophobicContact CE-CE 3.47Å; M168-M177 VanDerWaalsContact CE-CE 3.47Å; M168-M177 HydrophobicContact SD-CE 3.81Å
169S61.4Low64.8Low90 Ų90112.2 Ų112.263%0.62956%0.559SS**Hα-helixtrans-86.1-21.6177.8-68.60000113.5V165 E166V165-S169 WeakPolarHBondContact O-CB 3.49Å; V165-S169 PolarHBondContact O-N 3.28Å; V165-S169 PolarHBondContact O-OG 3.2Å; E166-S169 PolarHBondContact O-N 3.46Å; E166-S169 VanDerWaalsContact O-N 3.14Å
170G67.9Low66Low32 Ų32113 Ų11333%0.3356%0.559SS.*SBendtrans-67.2165.917500000113.5E166 E172 G173 R174E166-G170 PolarHBondContact O-N 2.81Å; G170-E172 PolarHBondContact O-N 2.76Å; G170-G173 PolarHBondContact O-N 3.4Å; G170-G173 VanDerWaalsContact O-N 3.11Å; G170-R174 PolarHBondContact O-N 2.96Å
171M69.2Low66.2Low176 Ų176112.8 Ų112.887%0.86757%0.57SS**Hα-helixtrans-57.6-34.8179.6-153.3168.291.800112K175M171-K175 WeakPolarHBondContact O-CB 3.48Å; M171-K175 PolarHBondContact O-N 2.96Å
172E62.1Low65.7Low158 Ų158112.4 Ų112.474%0.73857%0.573SS**Hα-helixtrans-65.4-43.5175.8-151.411617300112.9G170 K175 K176G170-E172 PolarHBondContact O-N 2.76Å; E172-K175 PolarHBondContact O-N 2.82Å; E172-K176 PolarHBondContact O-N 3.22Å
173G68.1Low64.3Low4 Ų4109 Ų1094%0.04157%0.573CS.*Hα-helixtrans-67.2-41.1177.100000112.4A167 G170 K176 M177A167-G173 WeakPolarHBondContact O-CA 3.38Å; G170-G173 PolarHBondContact O-N 3.4Å; G170-G173 VanDerWaalsContact O-N 3.11Å; G173-K176 PolarHBondContact O-N 2.7Å; G173-M177 PolarHBondContact O-N 3.23Å
174R65.4Low63.4Low197 Ų197107.1 Ų107.174%0.74358%0.577SS**Hα-helixtrans-64-41.1173.1-117.4-179.7-172.3-177.12.6112.1G170 M177 F178G170-R174 PolarHBondContact O-N 2.96Å; R174-M177 PolarHBondContact O-N 2.85Å; R174-F178 WeakPolarHBondContact O-CB 2.88Å; R174-F178 PolarHBondContact O-N 3.04Å
175K70.3Confident62.1Low123 Ų123109.1 Ų109.154%0.53559%0.593SS.*Hα-helixtrans-64.3-40.5177.1-176.7162.7169.147.80111.8M171 E172 M177 F178 D179M171-K175 WeakPolarHBondContact O-CB 3.48Å; M171-K175 PolarHBondContact O-N 2.96Å; E172-K175 PolarHBondContact O-N 2.82Å; K175-M177 PolarHBondContact O-N 3.39Å; K175-F178 PolarHBondContact O-N 2.89Å; K175-F178 VanDerWaalsContact O-N 3.1Å; K175-D179 WeakPolarHBondContact CE-OD2 3.23Å; K175-D179 WeakPolarHBondContact CG-OD2 3.44Å; K175-D179 IonicContact NZ-OD1 2.8Å; K175-D179 PolarHBondContact NZ-OD1 2.91Å; K175-D179 IonicContact NZ-OD2 3.2Å; K175-D179 PolarHBondContact NZ-OD2 3.36Å; K175-D179 PolarHBondContact O-N 2.73Å
176K74.6Confident60.8Low154 Ų154110.2 Ų110.267%0.6760%0.604SS**Hα-helixtrans-58.3-43173.5-79.9-177.2177.5176.60113E172 G173 F178 A180E172-K176 PolarHBondContact O-N 3.22Å; G173-K176 PolarHBondContact O-N 2.7Å; K176-F178 VanDerWaalsContact C-N 3.32Å; K176-A180 WeakPolarHBondContact O-CB 3.22Å; K176-A180 PolarHBondContact O-N 3.48Å; K176-A180 VanDerWaalsContact O-N 3.14Å
177M68.9Low59.3Low114 Ų114115.9 Ų115.956%0.56263%0.63SS**Hα-helixtrans-67.6-33.2175.3-67-161.3-170.400112.6M168 G173 R174 K175 A181M168-M177 HydrophobicContact CE-CE 3.47Å; M168-M177 VanDerWaalsContact CE-CE 3.47Å; M168-M177 HydrophobicContact SD-CE 3.81Å; G173-M177 PolarHBondContact O-N 3.23Å; R174-M177 PolarHBondContact O-N 2.85Å; K175-M177 PolarHBondContact O-N 3.39Å; M177-A181 PolarHBondContact O-N 3.16Å
178F66.1Low59Low132 Ų132118.4 Ų118.458%0.57964%0.635SS**Hα-helixtrans-75.3-40.4-179.4-154.9-95000112.8R174 K175 K176 A181 K182R174-F178 WeakPolarHBondContact O-CB 2.88Å; R174-F178 PolarHBondContact O-N 3.04Å; K175-F178 PolarHBondContact O-N 2.89Å; K175-F178 VanDerWaalsContact O-N 3.1Å; K176-F178 VanDerWaalsContact C-N 3.32Å; F178-A181 PolarHBondContact O-N 2.76Å; F178-K182 HydrophobicContact CE1-CD 4.44Å; F178-K182 PolarHBondContact O-N 2.87Å
179D69Low58.9Low81 Ų81119.7 Ų119.743%0.43364%0.644SS.*Hα-helixtrans-70.5-36.3177-70.4-24.4000111K175 A181 K182K175-D179 WeakPolarHBondContact CE-OD2 3.23Å; K175-D179 WeakPolarHBondContact CG-OD2 3.44Å; K175-D179 IonicContact NZ-OD1 2.8Å; K175-D179 PolarHBondContact NZ-OD1 2.91Å; K175-D179 IonicContact NZ-OD2 3.2Å; K175-D179 PolarHBondContact NZ-OD2 3.36Å; K175-D179 PolarHBondContact O-N 2.73Å; D179-A181 PolarHBondContact O-N 3.26Å; D179-K182 PolarHBondContact O-N 3.48Å; D179-K182 VanDerWaalsContact O-N 3.09Å
180A68Low58.8Low74 Ų74121.3 Ų121.361%0.61265%0.645SS**Hα-helixtrans-63.7-27.317200000113.2K176K176-A180 WeakPolarHBondContact O-CB 3.22Å; K176-A180 PolarHBondContact O-N 3.48Å; K176-A180 VanDerWaalsContact O-N 3.14Å
181A62.2Low58.3Low83 Ų83126.6 Ų126.669%0.68666%0.663SS**THydrogen-bonded Turntrans-81.1-14.4175.200000113.4M177 F178 D179M177-A181 PolarHBondContact O-N 3.16Å; F178-A181 PolarHBondContact O-N 2.76Å; D179-A181 PolarHBondContact O-N 3.26Å
182K49.3Very low57.6Low149 Ų149123.5 Ų123.565%0.64865%0.651SS**  trans-98.1-1.8-175.9-93.6-162.2177.3-173.50115.3F178 D179 P184F178-K182 HydrophobicContact CE1-CD 4.44Å; F178-K182 PolarHBondContact O-N 2.87Å; D179-K182 PolarHBondContact O-N 3.48Å; D179-K182 VanDerWaalsContact O-N 3.09Å; K182-P184 VanDerWaalsContact O-CD 3.23Å; K182-P184 WeakPolarHBondContact O-CD 3.38Å
183S41.1Very low57.3Low85 Ų85121.2 Ų121.259%0.59465%0.645SS**SBendtrans-67.4113.2169.857.60000109.6T185S183-T185 PolarHBondContact O-N 3.09Å
184P45Very low56.5Low119 Ų119129.6 Ų129.677%0.77369%0.688SS**  trans-74.4129.5-175.130.3-31000109.5K182 S186K182-P184 VanDerWaalsContact O-CD 3.23Å; K182-P184 WeakPolarHBondContact O-CD 3.38Å; P184-S186 VanDerWaalsContact C-N 3.32Å; P184-S186 PolarHBondContact O-N 3.41Å
185T40.9Very low55.8Low141 Ų141124.4 Ų124.487%0.86568%0.684SS**  trans-71.792.8169.6-40.40000107.5S183S183-T185 PolarHBondContact O-N 3.09Å
186S35.2Very low54.6Low103 Ų103124.5 Ų124.572%0.7270%0.696SS**  trans-76.7122.3168.6-1620000108.3P184P184-S186 VanDerWaalsContact C-N 3.32Å; P184-S186 PolarHBondContact O-N 3.41Å
187Q35.1Very low52.8Low259 Ų259121.8 Ų121.8100%1.2170%0.698SS**  trans39.70165.7-70.7-173.5-30.100119.4

Retrieved 187 of 187 residues in 99.3 ms (Link to these results)

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