A0A087Y8D7_POEFO Loading...

Troponin I type 1b (skeletal, slow)

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 , UniProt , Accession A0A087Y8D7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 170 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
1M78.4Confident94.5Very high205 Ų205117.3 Ų117.3100%1.0162%0.624SS**  0-58.80-145.3167.7-143.100111.3K3 S4 L5M1-K3 PolarHBondContact O-N 3.4Å; M1-S4 WeakPolarHBondContact O-CB 3.39Å; M1-S4 PolarHBondContact O-N 3.45Å; M1-S4 VanDerWaalsContact O-N 3.13Å; M1-L5 PolarHBondContact O-N 3.46Å
2L94Very high94.8Very high126 Ų126118.4 Ų118.466%0.6662%0.623SS**Hα-helixtrans-54.2-50.4-177.9-172.963.3000115.2S4 L5 M6L2-S4 PolarHBondContact O-N 3.46Å; L2-L5 WeakPolarHBondContact O-CB 3.32Å; L2-L5 PolarHBondContact O-N 3.38Å; L2-M6 HydrophobicContact CG-CG 4.49Å; L2-M6 HydrophobicContact CG-SD 4.25Å; L2-M6 WeakPolarHBondContact O-CG 3.37Å; L2-M6 PolarHBondContact O-N 3Å
3K93.9Very high95Very high180 Ų180116.7 Ų116.778%0.78361%0.609SS**Hα-helixtrans-56.4-36.4178.2-67.2-174.7179.1-175.60113.2M1 M6 V7M1-K3 PolarHBondContact O-N 3.4Å; K3-M6 PolarHBondContact O-N 3.33Å; K3-V7 WeakPolarHBondContact O-CG2 3.47Å; K3-V7 PolarHBondContact O-N 3.4Å
4S94.6Very high95.2Very high90 Ų90115.3 Ų115.363%0.62960%0.602SS**Hα-helixtrans-69.3-38.5178.1-168.20000111.6M1 L2 A8M1-S4 WeakPolarHBondContact O-CB 3.39Å; M1-S4 PolarHBondContact O-N 3.45Å; M1-S4 VanDerWaalsContact O-N 3.13Å; L2-S4 PolarHBondContact O-N 3.46Å; S4-A8 WeakPolarHBondContact O-CB 3.46Å; S4-A8 PolarHBondContact O-N 3.41Å
5L96.2Very high95.4Very high111 Ų111114.6 Ų114.658%0.58160%0.595SS**Hα-helixtrans-68.6-39.1176.2-64.8173.5000111.2M1 L2 A8 K9M1-L5 PolarHBondContact O-N 3.46Å; L2-L5 WeakPolarHBondContact O-CB 3.32Å; L2-L5 PolarHBondContact O-N 3.38Å; L5-A8 PolarHBondContact O-N 3.01Å; L5-K9 WeakPolarHBondContact O-CB 3.37Å; L5-K9 PolarHBondContact O-N 3.37Å
6M97.1Very high95.6Very high119 Ų119114 Ų11459%0.58659%0.588SS**Hα-helixtrans-62.9-43.7175.3-67.2178.574.500112.2L2 K3 K9 A10L2-M6 HydrophobicContact CG-CG 4.49Å; L2-M6 HydrophobicContact CG-SD 4.25Å; L2-M6 WeakPolarHBondContact O-CG 3.37Å; L2-M6 PolarHBondContact O-N 3Å; K3-M6 PolarHBondContact O-N 3.33Å; M6-K9 PolarHBondContact O-N 3.32Å; M6-A10 WeakPolarHBondContact O-CB 3.25Å; M6-A10 PolarHBondContact O-N 2.92Å
7V97.2Very high95.7Very high105 Ų105114.5 Ų114.564%0.63659%0.587SS**Hα-helixtrans-66.5-38.8176.8172.30000111.3K3 A10 K11K3-V7 WeakPolarHBondContact O-CG2 3.47Å; K3-V7 PolarHBondContact O-N 3.4Å; V7-A10 PolarHBondContact O-N 3.4Å; V7-K11 WeakPolarHBondContact O-CB 3.48Å; V7-K11 PolarHBondContact O-N 3.49Å
8A96.3Very high95.8Very high58 Ų58114.2 Ų114.248%0.47958%0.584SS.*Hα-helixtrans-60.8-47.3174.900000111.4S4 L5 K11 E12S4-A8 WeakPolarHBondContact O-CB 3.46Å; S4-A8 PolarHBondContact O-N 3.41Å; L5-A8 PolarHBondContact O-N 3.01Å; A8-K11 WeakPolarHBondContact O-CB 3.42Å; A8-K11 PolarHBondContact O-N 2.93Å; A8-E12 PolarHBondContact O-N 3.16Å; A8-E12 VanDerWaalsContact O-N 3.11Å
9K97.5Very high96Very high121 Ų121115.6 Ų115.653%0.52659%0.588SS.*Hα-helixtrans-63.8-42.7177.1-170.4173.4-163-83.50112.7L5 M6 K11 E12 E13L5-K9 WeakPolarHBondContact O-CB 3.37Å; L5-K9 PolarHBondContact O-N 3.37Å; M6-K9 PolarHBondContact O-N 3.32Å; K9-K11 PolarHBondContact O-N 3.25Å; K9-E12 WeakPolarHBondContact O-CB 3.41Å; K9-E12 PolarHBondContact O-N 3.03Å; K9-E13 IonicContact NZ-OE1 3.95Å; K9-E13 PolarHBondContact NZ-OE1 3.14Å; K9-E13 WeakPolarHBondContact O-CG 3.3Å; K9-E13 PolarHBondContact O-N 2.97Å
10A97.5Very high96.1Very high53 Ų53114 Ų11444%0.43858%0.578SS.*Hα-helixtrans-63.5-32.417700000112.4M6 V7 L14M6-A10 WeakPolarHBondContact O-CB 3.25Å; M6-A10 PolarHBondContact O-N 2.92Å; V7-A10 PolarHBondContact O-N 3.4Å; A10-L14 VanDerWaalsContact O-CB 3.32Å; A10-L14 WeakPolarHBondContact O-CB 3.31Å; A10-L14 PolarHBondContact O-N 2.92Å
11K97.1Very high96.1Very high122 Ų122115.5 Ų115.553%0.5358%0.581SS.*Hα-helixtrans-68.4-44174.4-171.6-179178-91.30111.4V7 A8 K9 L14 E15V7-K11 WeakPolarHBondContact O-CB 3.48Å; V7-K11 PolarHBondContact O-N 3.49Å; A8-K11 WeakPolarHBondContact O-CB 3.42Å; A8-K11 PolarHBondContact O-N 2.93Å; K9-K11 PolarHBondContact O-N 3.25Å; K11-L14 PolarHBondContact O-N 3.03Å; K11-E15 WeakPolarHBondContact CE-OE1 3.42Å; K11-E15 IonicContact NZ-OE1 3.78Å; K11-E15 PolarHBondContact NZ-OE1 3.43Å; K11-E15 IonicContact NZ-OE2 2.83Å; K11-E15 WeakPolarHBondContact O-CG 3.43Å; K11-E15 PolarHBondContact O-N 3.44Å
12E97.8Very high97.1Very high131 Ų131112.3 Ų112.361%0.61256%0.564SS**Hα-helixtrans-61.1-47.1176.1-176.1178.8-172.200111.2A8 K9 L14 E15 Q16A8-E12 PolarHBondContact O-N 3.16Å; A8-E12 VanDerWaalsContact O-N 3.11Å; K9-E12 WeakPolarHBondContact O-CB 3.41Å; K9-E12 PolarHBondContact O-N 3.03Å; E12-L14 VanDerWaalsContact C-N 3.32Å; E12-L14 PolarHBondContact O-N 3.39Å; E12-E15 PolarHBondContact O-N 3Å; E12-Q16 PolarHBondContact O-N 3.22Å
13E98Very high97.3Very high96 Ų96111.3 Ų111.345%0.44956%0.556SS.*Hα-helixtrans-61.1-39175.8-72.7171.7-177.700112.2K9 Q16 E17K9-E13 IonicContact NZ-OE1 3.95Å; K9-E13 PolarHBondContact NZ-OE1 3.14Å; K9-E13 WeakPolarHBondContact O-CG 3.3Å; K9-E13 PolarHBondContact O-N 2.97Å; E13-Q16 PolarHBondContact O-N 3.13Å; E13-E17 WeakPolarHBondContact O-CB 3.48Å; E13-E17 PolarHBondContact O-N 3.33Å
14L97.9Very high97.4Very high97 Ų97108.8 Ų108.851%0.50855%0.546SS..Hα-helixtrans-66.7-40176.4-179.364.8000112.2A10 K11 E12 Q16 E17 M18A10-L14 VanDerWaalsContact O-CB 3.32Å; A10-L14 WeakPolarHBondContact O-CB 3.31Å; A10-L14 PolarHBondContact O-N 2.92Å; K11-L14 PolarHBondContact O-N 3.03Å; E12-L14 VanDerWaalsContact C-N 3.32Å; E12-L14 PolarHBondContact O-N 3.39Å; L14-Q16 VanDerWaalsContact C-N 3.35Å; L14-E17 PolarHBondContact O-N 3.43Å; L14-M18 WeakPolarHBondContact O-CG 3.44Å; L14-M18 PolarHBondContact O-N 2.94Å
15E97.7Very high97.6Very high105 Ų105111.1 Ų111.149%0.49155%0.545SS..Hα-helixtrans-64.6-42.1176-75.8174.6179.900110.8K11 E12 M18 E19K11-E15 WeakPolarHBondContact CE-OE1 3.42Å; K11-E15 IonicContact NZ-OE1 3.78Å; K11-E15 PolarHBondContact NZ-OE1 3.43Å; K11-E15 IonicContact NZ-OE2 2.83Å; K11-E15 WeakPolarHBondContact O-CG 3.43Å; K11-E15 PolarHBondContact O-N 3.44Å; E12-E15 PolarHBondContact O-N 3Å; E15-M18 PolarHBondContact O-N 2.96Å; E15-E19 PolarHBondContact O-N 3.39Å; E15-E19 VanDerWaalsContact O-N 3.15Å
16Q98.1Very high97.6Very high105 Ų105108.5 Ų108.549%0.49154%0.54SS..Hα-helixtrans-62.1-46.3174.1-174.5-176.8-13.400112E12 E13 L14 M18 E19 E20E12-Q16 PolarHBondContact O-N 3.22Å; E13-Q16 PolarHBondContact O-N 3.13Å; L14-Q16 VanDerWaalsContact C-N 3.35Å; Q16-M18 VanDerWaalsContact C-N 3.26Å; Q16-M18 PolarHBondContact O-N 3.42Å; Q16-E19 PolarHBondContact O-N 2.7Å; Q16-E20 PolarHBondContact NE2-OE1 3.35Å; Q16-E20 WeakPolarHBondContact O-CG 3.46Å; Q16-E20 PolarHBondContact O-N 2.79Å
17E98.2Very high97.6Very high123 Ų123108.2 Ų108.258%0.57554%0.535SS*.Hα-helixtrans-59.7-37.9177.4-174-173.7174.600111.7E13 L14 K21E13-E17 WeakPolarHBondContact O-CB 3.48Å; E13-E17 PolarHBondContact O-N 3.33Å; L14-E17 PolarHBondContact O-N 3.43Å; E17-K21 VanDerWaalsContact O-CB 3.26Å; E17-K21 WeakPolarHBondContact O-CB 3.46Å; E17-K21 PolarHBondContact O-N 2.88Å
18M97.8Very high97.6Very high108 Ų108110 Ų11053%0.53253%0.532SS..Hα-helixtrans-63.5-44176.1-75.1-178.158.700112.1L14 E15 Q16 K21 E22L14-M18 WeakPolarHBondContact O-CG 3.44Å; L14-M18 PolarHBondContact O-N 2.94Å; E15-M18 PolarHBondContact O-N 2.96Å; Q16-M18 VanDerWaalsContact C-N 3.26Å; Q16-M18 PolarHBondContact O-N 3.42Å; M18-K21 PolarHBondContact O-N 3.03Å; M18-E22 WeakPolarHBondContact O-CG 3.3Å; M18-E22 PolarHBondContact O-N 3.01Å
19E97.9Very high97.6Very high141 Ų141111.2 Ų111.266%0.65953%0.53SS*.Hα-helixtrans-64.5-46.7177.6-174171.7-165.800111.4E15 Q16 K21 E22 E23E15-E19 PolarHBondContact O-N 3.39Å; E15-E19 VanDerWaalsContact O-N 3.15Å; Q16-E19 PolarHBondContact O-N 2.7Å; E19-K21 VanDerWaalsContact C-N 3.26Å; E19-K21 PolarHBondContact O-N 3.36Å; E19-E22 PolarHBondContact O-N 3.48Å; E19-E22 VanDerWaalsContact O-N 3.15Å; E19-E23 PolarHBondContact O-N 3.31Å
20E98.1Very high97.5Very high84 Ų84112.1 Ų112.139%0.39354%0.536SS..Hα-helixtrans-58.7-39.7176.3-71.2177.3-169.200111.7Q16 E23 Q24Q16-E20 PolarHBondContact NE2-OE1 3.35Å; Q16-E20 WeakPolarHBondContact O-CG 3.46Å; Q16-E20 PolarHBondContact O-N 2.79Å; E20-E23 PolarHBondContact O-N 3.1Å; E20-Q24 WeakPolarHBondContact O-CB 3.1Å; E20-Q24 WeakPolarHBondContact O-CG 3.45Å; E20-Q24 PolarHBondContact O-N 3.45Å
21K97.9Very high97.4Very high146 Ų146115.9 Ų115.964%0.63554%0.544SS*.Hα-helixtrans-67.7-38.3177.5-173.9176.1-177.4174.50112.5E17 M18 E19 K25E17-K21 VanDerWaalsContact O-CB 3.26Å; E17-K21 WeakPolarHBondContact O-CB 3.46Å; E17-K21 PolarHBondContact O-N 2.88Å; M18-K21 PolarHBondContact O-N 3.03Å; E19-K21 VanDerWaalsContact C-N 3.26Å; E19-K21 PolarHBondContact O-N 3.36Å; K21-K25 WeakPolarHBondContact O-CB 3.45Å; K21-K25 PolarHBondContact O-N 3.43Å
22E97.8Very high97.2Very high138 Ų138115.4 Ų115.465%0.64554%0.542SS*.Hα-helixtrans-66.2-41.6174.4-75-174.9174.800111.4M18 E19 K25 A26M18-E22 WeakPolarHBondContact O-CG 3.3Å; M18-E22 PolarHBondContact O-N 3.01Å; E19-E22 PolarHBondContact O-N 3.48Å; E19-E22 VanDerWaalsContact O-N 3.15Å; E22-K25 WeakPolarHBondContact O-CB 3.49Å; E22-K25 PolarHBondContact O-N 2.87Å; E22-A26 PolarHBondContact O-N 2.96Å
23E97.9Very high97Very high105 Ų105114.2 Ų114.249%0.49154%0.544SS..Hα-helixtrans-65.2-44.4176.9-161.3-167.2171.600111.8E19 E20 K25 A26 K27E19-E23 PolarHBondContact O-N 3.31Å; E20-E23 PolarHBondContact O-N 3.1Å; E23-K25 VanDerWaalsContact C-N 3.31Å; E23-K25 PolarHBondContact O-N 3.32Å; E23-A26 PolarHBondContact O-N 3.46Å; E23-K27 WeakPolarHBondContact O-CG 3.29Å; E23-K27 PolarHBondContact O-N 3Å; E23-K27 WeakPolarHBondContact OE1-CE 3.37Å; E23-K27 IonicContact OE1-NZ 2.84Å; E23-K27 PolarHBondContact OE1-NZ 2.94Å; E23-K27 IonicContact OE2-NZ 3.98Å
24Q97.8Very high96.6Very high126 Ų126113.4 Ų113.459%0.58955%0.547SS*.Hα-helixtrans-60.8-41174.5-74.2172.318.200111.7E20 K27 Y28E20-Q24 WeakPolarHBondContact O-CB 3.1Å; E20-Q24 WeakPolarHBondContact O-CG 3.45Å; E20-Q24 PolarHBondContact O-N 3.45Å; Q24-K27 PolarHBondContact O-N 3.37Å; Q24-Y28 WeakPolarHBondContact O-CB 3.27Å; Q24-Y28 PolarHBondContact O-N 3.45Å
25K97.4Very high96.3Very high139 Ų139114.5 Ų114.560%0.60456%0.56SS**Hα-helixtrans-61.8-44.3175-179-175.5175.9-172.80111.2K21 E22 E23 Y28 L29K21-K25 WeakPolarHBondContact O-CB 3.45Å; K21-K25 PolarHBondContact O-N 3.43Å; E22-K25 WeakPolarHBondContact O-CB 3.49Å; E22-K25 PolarHBondContact O-N 2.87Å; E23-K25 VanDerWaalsContact C-N 3.31Å; E23-K25 PolarHBondContact O-N 3.32Å; K25-Y28 PolarHBondContact O-N 3.43Å; K25-L29 HydrophobicContact CG-CD1 4.1Å; K25-L29 WeakPolarHBondContact O-CB 3.28Å; K25-L29 WeakPolarHBondContact O-CG 3.39Å; K25-L29 PolarHBondContact O-N 3.47Å
26A96.6Very high95.8Very high57 Ų57112.2 Ų112.247%0.47156%0.558SS.*Hα-helixtrans-61.5-48.9177.900000111.4E22 E23 Y28 L29 E30E22-A26 PolarHBondContact O-N 2.96Å; E23-A26 PolarHBondContact O-N 3.46Å; A26-Y28 VanDerWaalsContact C-N 3.35Å; A26-Y28 PolarHBondContact O-N 2.89Å; A26-L29 PolarHBondContact O-N 3.49Å; A26-E30 WeakPolarHBondContact O-CB 3.41Å; A26-E30 PolarHBondContact O-N 3.16Å
27K97.3Very high95.1Very high113 Ų113111.5 Ų111.549%0.49156%0.563SS.*Hα-helixtrans-58.3-44.4176.6-72.1172.7-177.3164.30112.3E23 Q24 E30 E31E23-K27 WeakPolarHBondContact O-CG 3.29Å; E23-K27 PolarHBondContact O-N 3Å; E23-K27 WeakPolarHBondContact OE1-CE 3.37Å; E23-K27 IonicContact OE1-NZ 2.84Å; E23-K27 PolarHBondContact OE1-NZ 2.94Å; E23-K27 IonicContact OE2-NZ 3.98Å; Q24-K27 PolarHBondContact O-N 3.37Å; K27-E30 PolarHBondContact O-N 2.84Å; K27-E31 PolarHBondContact O-N 2.83Å; K27-E31 VanDerWaalsContact O-N 3.1Å
28Y97.3Very high94.6Very high142 Ų142109.9 Ų109.956%0.55756%0.561SS**Hα-helixtrans-62.3-44.1177.7178.5-93.5000112.2Q24 K25 A26 E31 K32Q24-Y28 WeakPolarHBondContact O-CB 3.27Å; Q24-Y28 PolarHBondContact O-N 3.45Å; K25-Y28 PolarHBondContact O-N 3.43Å; A26-Y28 VanDerWaalsContact C-N 3.35Å; A26-Y28 PolarHBondContact O-N 2.89Å; Y28-E31 PolarHBondContact O-N 3.25Å; Y28-K32 HydrophobicContact CD1-CG 4.26Å; Y28-K32 HydrophobicContact CD2-CG 4.28Å; Y28-K32 HydrophobicContact CE1-CB 4.44Å; Y28-K32 HydrophobicContact CE1-CG 3.81Å; Y28-K32 HydrophobicContact CE2-CG 3.84Å; Y28-K32 HydrophobicContact CG-CG 4.48Å; Y28-K32 WeakPolarHBondContact O-CB 3.46Å; Y28-K32 WeakPolarHBondContact O-CG 3.32Å; Y28-K32 PolarHBondContact O-N 3.1Å
29L96.2Very high94.2Very high83 Ų83110.7 Ų110.744%0.43557%0.573SS.*Hα-helixtrans-68.1-36.9179-71.7174.3000112.2K25 A26 E31 K32 V33K25-L29 HydrophobicContact CG-CD1 4.1Å; K25-L29 WeakPolarHBondContact O-CB 3.28Å; K25-L29 WeakPolarHBondContact O-CG 3.39Å; K25-L29 PolarHBondContact O-N 3.47Å; A26-L29 PolarHBondContact O-N 3.49Å; L29-E31 VanDerWaalsContact C-N 3.33Å; L29-E31 PolarHBondContact O-N 2.78Å; L29-K32 PolarHBondContact O-N 3.24Å; L29-V33 CarbonylContact O-C 3.38Å; L29-V33 WeakPolarHBondContact O-CA 3.46Å; L29-V33 PolarHBondContact O-N 2.91Å
30E95.7Very high93.8Very high140 Ų140108.1 Ų108.165%0.65458%0.584SS**Hα-helixtrans-62.8-39.7175.1-173.7174-165.800111.9A26 K27A26-E30 WeakPolarHBondContact O-CB 3.41Å; A26-E30 PolarHBondContact O-N 3.16Å; K27-E30 PolarHBondContact O-N 2.84Å
31E95.3Very high93.5Very high133 Ų133107.1 Ų107.162%0.62158%0.581SS**Hα-helixtrans-70-45.8175.8-169.8-160.8127.500112.4K27 Y28 L29K27-E31 PolarHBondContact O-N 2.83Å; K27-E31 VanDerWaalsContact O-N 3.1Å; Y28-E31 PolarHBondContact O-N 3.25Å; L29-E31 VanDerWaalsContact C-N 3.33Å; L29-E31 PolarHBondContact O-N 2.78Å
32K93.5Very high93.4Very high111 Ų111102.8 Ų102.848%0.48357%0.569SS.*Hα-helixtrans-82.7-31.7-173-66.5-49.2-175.1-150.80114.2Y28 L29Y28-K32 HydrophobicContact CD1-CG 4.26Å; Y28-K32 HydrophobicContact CD2-CG 4.28Å; Y28-K32 HydrophobicContact CE1-CB 4.44Å; Y28-K32 HydrophobicContact CE1-CG 3.81Å; Y28-K32 HydrophobicContact CE2-CG 3.84Å; Y28-K32 HydrophobicContact CG-CG 4.48Å; Y28-K32 WeakPolarHBondContact O-CB 3.46Å; Y28-K32 WeakPolarHBondContact O-CG 3.32Å; Y28-K32 PolarHBondContact O-N 3.1Å; L29-K32 PolarHBondContact O-N 3.24Å
33V92.1Very high93.2Very high107 Ų107102 Ų10265%0.64857%0.568SS**SBendtrans-133.967.5-176.8-167.70000108.9L29L29-V33 CarbonylContact O-C 3.38Å; L29-V33 WeakPolarHBondContact O-CA 3.46Å; L29-V33 PolarHBondContact O-N 2.91Å
34P91.1Very high93.1Very high78 Ų78104.6 Ų104.651%0.50658%0.581SS.*PPolyproline II helixtrans-63.3156.5174.528.3-35.1000110.5A36P34-A36 PolarHBondContact O-N 3.39Å
35P90.9Very high93Very high121 Ų121103.5 Ų103.579%0.78658%0.575SS**PPolyproline II helixtrans-53.1128.4175.7-25.934.6000111.6
36A86.7Confident92.9Very high56 Ų56100.1 Ų100.146%0.46356%0.563SS.*PPolyproline II helixtrans-64.2126.1-177.100000110.7P34 V38P34-A36 PolarHBondContact O-N 3.39Å; A36-V38 VanDerWaalsContact C-N 3.32Å; A36-V38 HydrophobicContact CB-CG1 4.22Å; A36-V38 PolarHBondContact O-N 3Å
37P83.4Confident92.8Very high90 Ų90103.3 Ų103.358%0.58457%0.567SS**  trans-78.982.4-179.931.9-34000109.7L41P37-L41 WeakPolarHBondContact O-CD1 3.42Å; P37-L41 WeakPolarHBondContact O-CG 3.37Å
38V87.6Confident92.7Very high89 Ų89100.1 Ų100.154%0.53956%0.562SS.*  trans-88.1-14.6-178.7-64.80000113.4A36A36-V38 VanDerWaalsContact C-N 3.32Å; A36-V38 HydrophobicContact CB-CG1 4.22Å; A36-V38 PolarHBondContact O-N 3Å
39T90.1Very high92.6Very high126 Ų12695.1 Ų95.177%0.77354%0.544SS*.THydrogen-bonded Turntrans-83.8129.7-177.252.50000111.4L41T39-L41 VanDerWaalsContact C-N 3.32Å
40G88.8Confident92.6Very high86 Ų8694.8 Ų94.889%0.88755%0.548SS*.THydrogen-bonded Turntrans83.22.9174.600000115.1
41L93.2Very high92.6Very high64 Ų6494.6 Ų94.634%0.33555%0.547SS..  trans-76.3142.4172-63.8-178.3000111.3P37 T39 E45 L46 L49P37-L41 WeakPolarHBondContact O-CD1 3.42Å; P37-L41 WeakPolarHBondContact O-CG 3.37Å; T39-L41 VanDerWaalsContact C-N 3.32Å; L41-E45 HydrophobicContact CB-CB 4.2Å; L41-E45 HydrophobicContact CD2-CB 4.11Å; L41-L46 HydrophobicContact CD1-CD1 4.39Å; L41-L49 HydrophobicContact CD1-CD2 3.9Å
42S94.8Very high92.6Very high55 Ų5592.7 Ų92.739%0.38554%0.541SS..  trans-70.4166.8165.967.70000111.5E44 E45 L46S42-E44 VanDerWaalsContact C-N 3.26Å; S42-E44 PolarHBondContact O-N 3.25Å; S42-E45 VanDerWaalsContact CB-OE2 3.31Å; S42-E45 WeakPolarHBondContact CB-OE2 3.37Å; S42-E45 PolarHBondContact N-OE2 3.36Å; S42-E45 PolarHBondContact O-N 2.81Å; S42-E45 VanDerWaalsContact OG-CD 3.24Å; S42-E45 VanDerWaalsContact OG-CG 3.3Å; S42-E45 WeakPolarHBondContact OG-CG 3.4Å; S42-E45 PolarHBondContact OG-N 3.47Å; S42-E45 PolarHBondContact OG-OE2 2.87Å; S42-L46 WeakPolarHBondContact O-CB 3.5Å; S42-L46 PolarHBondContact O-N 2.96Å
43L94.1Very high92.7Very high120 Ų12091 Ų9163%0.62854%0.537SS*.Hα-helixtrans-60.1-36.5178.7-177.869.3000112.6K47L43-K47 WeakPolarHBondContact O-CG 3.33Å; L43-K47 PolarHBondContact O-N 3.12Å; L43-K47 VanDerWaalsContact O-N 3.13Å
44E96.1Very high92.9Very high161 Ų16191.4 Ų91.475%0.75253%0.532SS*.Hα-helixtrans-70.4-45.9-179.7-67.8179.5178.900111.1S42 L46 K47 A48S42-E44 VanDerWaalsContact C-N 3.26Å; S42-E44 PolarHBondContact O-N 3.25Å; E44-L46 VanDerWaalsContact C-N 3.29Å; E44-L46 PolarHBondContact O-N 2.92Å; E44-K47 PolarHBondContact O-N 3.34Å; E44-A48 PolarHBondContact O-N 3.49Å
45E94.8Very high93.2Very high102 Ų10291.1 Ų91.148%0.47753%0.531SS..Hα-helixtrans-62.7-37.3175.9-67.9163.9141.900111.8L41 S42 A48 L49L41-E45 HydrophobicContact CB-CB 4.2Å; L41-E45 HydrophobicContact CD2-CB 4.11Å; S42-E45 VanDerWaalsContact CB-OE2 3.31Å; S42-E45 WeakPolarHBondContact CB-OE2 3.37Å; S42-E45 PolarHBondContact N-OE2 3.36Å; S42-E45 PolarHBondContact O-N 2.81Å; S42-E45 VanDerWaalsContact OG-CD 3.24Å; S42-E45 VanDerWaalsContact OG-CG 3.3Å; S42-E45 WeakPolarHBondContact OG-CG 3.4Å; S42-E45 PolarHBondContact OG-N 3.47Å; S42-E45 PolarHBondContact OG-OE2 2.87Å; E45-A48 PolarHBondContact O-N 3.03Å; E45-L49 WeakPolarHBondContact O-CB 3.32Å; E45-L49 PolarHBondContact O-N 3.42Å
46L94.8Very high93.5Very high68 Ų6891.4 Ų91.436%0.35652%0.521SS..Hα-helixtrans-65.6-40.6176.4-171.867.3000111.9L41 S42 E44 L49 C50L41-L46 HydrophobicContact CD1-CD1 4.39Å; S42-L46 WeakPolarHBondContact O-CB 3.5Å; S42-L46 PolarHBondContact O-N 2.96Å; E44-L46 VanDerWaalsContact C-N 3.29Å; E44-L46 PolarHBondContact O-N 2.92Å; L46-L49 PolarHBondContact O-N 3.3Å; L46-C50 PolarHBondContact O-N 2.85Å; L46-C50 PolarHBondContact O-SG 2.99Å; L46-C50 VanDerWaalsContact O-SG 3.33Å
47K95.8Very high94Very high124 Ų12493.9 Ų93.954%0.53953%0.525SS..Hα-helixtrans-64-45.9175.4-75.4176.4179.8-178.30111.5L43 E44 L49 C50 E51L43-K47 WeakPolarHBondContact O-CG 3.33Å; L43-K47 PolarHBondContact O-N 3.12Å; L43-K47 VanDerWaalsContact O-N 3.13Å; E44-K47 PolarHBondContact O-N 3.34Å; K47-L49 VanDerWaalsContact C-N 3.32Å; K47-L49 PolarHBondContact O-N 3.28Å; K47-C50 WeakPolarHBondContact O-CB 3.4Å; K47-C50 PolarHBondContact O-N 3.46Å; K47-C50 VanDerWaalsContact O-N 3.14Å; K47-E51 PolarHBondContact O-N 3.35Å
48A95.6Very high94.7Very high47 Ų4794.2 Ų94.239%0.38852%0.522SS..Hα-helixtrans-58.9-44176.300000111.5E44 E45 C50 E51 D52E44-A48 PolarHBondContact O-N 3.49Å; E45-A48 PolarHBondContact O-N 3.03Å; A48-C50 VanDerWaalsContact C-N 3.33Å; A48-C50 PolarHBondContact O-N 3.25Å; A48-E51 PolarHBondContact O-N 3.27Å; A48-D52 WeakPolarHBondContact O-CB 3.38Å; A48-D52 PolarHBondContact O-N 3.42Å
49L94.5Very high95.2Very high37 Ų3793.6 Ų93.619%0.19452%0.518CS..Hα-helixtrans-60.2-40.8175.3179.363.2000112.3L41 E45 L46 K47 D52 L53L41-L49 HydrophobicContact CD1-CD2 3.9Å; E45-L49 WeakPolarHBondContact O-CB 3.32Å; E45-L49 PolarHBondContact O-N 3.42Å; L46-L49 PolarHBondContact O-N 3.3Å; K47-L49 VanDerWaalsContact C-N 3.32Å; K47-L49 PolarHBondContact O-N 3.28Å; L49-D52 PolarHBondContact O-N 3.02Å; L49-L53 HydrophobicContact CD1-CD1 4.18Å; L49-L53 HydrophobicContact CD1-CG 4.16Å; L49-L53 HydrophobicContact CG-CD1 4.04Å; L49-L53 HydrophobicContact CG-CG 4.43Å; L49-L53 WeakPolarHBondContact O-CB 3.47Å; L49-L53 VanDerWaalsContact O-CG 3.25Å; L49-L53 WeakPolarHBondContact O-CG 3.4Å; L49-L53 PolarHBondContact O-N 2.96Å
50C95.3Very high95.5Very high76 Ų7691.8 Ų91.851%0.51451%0.506SS..Hα-helixtrans-64.3-41.8176.7-72.30000112.5L46 K47 A48 H54L46-C50 PolarHBondContact O-N 2.85Å; L46-C50 PolarHBondContact O-SG 2.99Å; L46-C50 VanDerWaalsContact O-SG 3.33Å; K47-C50 WeakPolarHBondContact O-CB 3.4Å; K47-C50 PolarHBondContact O-N 3.46Å; K47-C50 VanDerWaalsContact O-N 3.14Å; A48-C50 VanDerWaalsContact C-N 3.33Å; A48-C50 PolarHBondContact O-N 3.25Å; C50-H54 WeakPolarHBondContact O-CB 3.41Å; C50-H54 PolarHBondContact O-N 2.9Å
51E96.8Very high96Very high136 Ų13691.4 Ų91.464%0.63648%0.484SS*.Hα-helixtrans-65.4-41.9176.8-70.3176.9-179.900111.7K47 A48 H54 S55K47-E51 PolarHBondContact O-N 3.35Å; A48-E51 PolarHBondContact O-N 3.27Å; E51-H54 PolarHBondContact O-N 3.44Å; E51-S55 PolarHBondContact O-N 3.39Å; E51-S55 PolarHBondContact O-OG 2.93Å
52D94.9Very high96.2Very high93 Ų9394.7 Ų94.750%0.49750%0.498SS..Hα-helixtrans-63.3-46175.5-79.9-5.4000112.1A48 L49 H54 S55 K56A48-D52 WeakPolarHBondContact O-CB 3.38Å; A48-D52 PolarHBondContact O-N 3.42Å; L49-D52 PolarHBondContact O-N 3.02Å; D52-H54 VanDerWaalsContact C-N 3.33Å; D52-S55 PolarHBondContact O-N 3.5Å; D52-K56 WeakPolarHBondContact O-CG 3.28Å; D52-K56 PolarHBondContact O-N 3.41Å
53L95.3Very high96.4Very high74 Ų7497.5 Ų97.539%0.38751%0.505SS..Hα-helixtrans-63.9-40.8177.8-75173.9000111.3L49 K56 I57L49-L53 HydrophobicContact CD1-CD1 4.18Å; L49-L53 HydrophobicContact CD1-CG 4.16Å; L49-L53 HydrophobicContact CG-CD1 4.04Å; L49-L53 HydrophobicContact CG-CG 4.43Å; L49-L53 WeakPolarHBondContact O-CB 3.47Å; L49-L53 VanDerWaalsContact O-CG 3.25Å; L49-L53 WeakPolarHBondContact O-CG 3.4Å; L49-L53 PolarHBondContact O-N 2.96Å; L53-K56 PolarHBondContact O-N 2.83Å; L53-I57 VanDerWaalsContact O-CG1 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.48Å; L53-I57 PolarHBondContact O-N 3.29Å
54H97.1Very high96.6Very high116 Ų11697.5 Ų97.554%0.53750%0.496SS..Hα-helixtrans-61.4-46.7176.7-174.78.2000111.5C50 E51 D52 K56 I57 D58C50-H54 WeakPolarHBondContact O-CB 3.41Å; C50-H54 PolarHBondContact O-N 2.9Å; E51-H54 PolarHBondContact O-N 3.44Å; D52-H54 VanDerWaalsContact C-N 3.33Å; H54-K56 VanDerWaalsContact C-N 3.29Å; H54-K56 PolarHBondContact O-N 3.01Å; H54-I57 WeakPolarHBondContact O-CB 3.23Å; H54-I57 PolarHBondContact O-N 3Å; H54-I57 VanDerWaalsContact O-N 3.16Å; H54-D58 IonicContact CE1-OD1 2.67Å; H54-D58 IonicContact CE1-OD2 3.7Å; H54-D58 IonicContact ND1-OD1 2.65Å; H54-D58 PolarHBondContact O-N 3.23Å
55S97.6Very high96.7Very high72 Ų7296.9 Ų96.950%0.50349%0.488SS..Hα-helixtrans-62-38.4178.2-55.70000111.9E51 D52 D58 V59E51-S55 PolarHBondContact O-N 3.39Å; E51-S55 PolarHBondContact O-OG 2.93Å; D52-S55 PolarHBondContact O-N 3.5Å; S55-D58 PolarHBondContact O-N 3.1Å; S55-V59 PolarHBondContact O-N 2.96Å
56K96.3Very high96.9Very high128 Ų12895.9 Ų95.956%0.55749%0.486SS*.Hα-helixtrans-65.9-36.5175.5-75.2172.2-177.2171.60112.8D52 L53 H54 D58 V59 V60D52-K56 WeakPolarHBondContact O-CG 3.28Å; D52-K56 PolarHBondContact O-N 3.41Å; L53-K56 PolarHBondContact O-N 2.83Å; H54-K56 VanDerWaalsContact C-N 3.29Å; H54-K56 PolarHBondContact O-N 3.01Å; K56-D58 VanDerWaalsContact C-N 3.3Å; K56-D58 PolarHBondContact O-N 3.16Å; K56-V59 PolarHBondContact O-N 3.32Å; K56-V60 WeakPolarHBondContact O-CB 3.21Å; K56-V60 VanDerWaalsContact O-CG2 3.3Å; K56-V60 WeakPolarHBondContact O-CG2 3.41Å; K56-V60 PolarHBondContact O-N 3.02Å
57I97.1Very high97Very high107 Ų10797.4 Ų97.455%0.54949%0.494SS..Hα-helixtrans-59.9-44.1178-73.2163.6000110.3L53 H54 V59 V60 D61L53-I57 VanDerWaalsContact O-CG1 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.48Å; L53-I57 PolarHBondContact O-N 3.29Å; H54-I57 WeakPolarHBondContact O-CB 3.23Å; H54-I57 PolarHBondContact O-N 3Å; H54-I57 VanDerWaalsContact O-N 3.16Å; I57-V59 PolarHBondContact O-N 3.17Å; I57-V60 PolarHBondContact O-N 3.49Å; I57-D61 WeakPolarHBondContact O-CB 3.41Å; I57-D61 PolarHBondContact O-N 2.85Å
58D98Very high97.1Very high97 Ų9796.7 Ų96.752%0.51949%0.492SS..Hα-helixtrans-61.4-45.8-179-65.5-17.3000111.4H54 S55 K56 D61 E62H54-D58 IonicContact CE1-OD1 2.67Å; H54-D58 IonicContact CE1-OD2 3.7Å; H54-D58 IonicContact ND1-OD1 2.65Å; H54-D58 PolarHBondContact O-N 3.23Å; S55-D58 PolarHBondContact O-N 3.1Å; K56-D58 VanDerWaalsContact C-N 3.3Å; K56-D58 PolarHBondContact O-N 3.16Å; D58-D61 PolarHBondContact O-N 3.44Å; D58-E62 PolarHBondContact O-N 3.44Å; D58-E62 VanDerWaalsContact O-N 3.1Å
59V97.9Very high97.3Very high77 Ų7796.7 Ų96.747%0.46749%0.492SS..Hα-helixtrans-62.7-46.5176.9177.40000111.5S55 K56 I57 D61 E62 E63S55-V59 PolarHBondContact O-N 2.96Å; K56-V59 PolarHBondContact O-N 3.32Å; I57-V59 PolarHBondContact O-N 3.17Å; V59-D61 VanDerWaalsContact C-N 3.33Å; V59-D61 PolarHBondContact O-N 2.99Å; V59-E62 PolarHBondContact O-N 2.92Å; V59-E63 WeakPolarHBondContact O-CG 3.35Å; V59-E63 PolarHBondContact O-N 2.94Å
60V97.7Very high97.5Very high87 Ų87101.5 Ų101.553%0.52751%0.511SS..Hα-helixtrans-67.5-34.3-178.3171.10000111.6K56 I57 E63 R64K56-V60 WeakPolarHBondContact O-CB 3.21Å; K56-V60 VanDerWaalsContact O-CG2 3.3Å; K56-V60 WeakPolarHBondContact O-CG2 3.41Å; K56-V60 PolarHBondContact O-N 3.02Å; I57-V60 PolarHBondContact O-N 3.49Å; V60-E63 PolarHBondContact O-N 3.22Å; V60-R64 VanDerWaalsContact O-CB 3.28Å; V60-R64 WeakPolarHBondContact O-CB 3.37Å; V60-R64 PolarHBondContact O-N 2.93Å
61D98.3Very high97.6Very high79 Ų79101.4 Ų101.442%0.42251%0.508SS..Hα-helixtrans-70.5-36.2176.4-164.953.9000111.9I57 D58 V59 R64 Y65I57-D61 WeakPolarHBondContact O-CB 3.41Å; I57-D61 PolarHBondContact O-N 2.85Å; D58-D61 PolarHBondContact O-N 3.44Å; V59-D61 VanDerWaalsContact C-N 3.33Å; V59-D61 PolarHBondContact O-N 2.99Å; D61-R64 WeakPolarHBondContact O-CB 3.39Å; D61-R64 PolarHBondContact O-N 3.44Å; D61-R64 IonicContact OD1-CZ 3.97Å; D61-R64 VanDerWaalsContact OD1-CZ 3.26Å; D61-R64 IonicContact OD1-NE 3.26Å; D61-R64 PolarHBondContact OD1-NE 2.9Å; D61-R64 IonicContact OD1-NH2 3.99Å; D61-R64 PolarHBondContact OD1-NH2 3.44Å; D61-R64 IonicContact OD2-NH2 2.58Å; D61-Y65 WeakPolarHBondContact O-CB 3.41Å; D61-Y65 PolarHBondContact O-N 3.31Å
62E98.1Very high97.7Very high133 Ų13398.8 Ų98.862%0.62150%0.498SS*.Hα-helixtrans-60.5-49.6170.7-174.6177.7-176.300111.2D58 V59 R64 Y65 D66D58-E62 PolarHBondContact O-N 3.44Å; D58-E62 VanDerWaalsContact O-N 3.1Å; V59-E62 PolarHBondContact O-N 2.92Å; E62-R64 VanDerWaalsContact C-N 3.3Å; E62-R64 PolarHBondContact O-N 3.41Å; E62-Y65 WeakPolarHBondContact O-CB 3.27Å; E62-Y65 PolarHBondContact O-N 3.36Å; E62-Y65 VanDerWaalsContact O-N 3.16Å; E62-D66 PolarHBondContact O-N 3.46Å
63E98Very high97.9Very high113 Ų11399.8 Ų99.853%0.52850%0.5SS..Hα-helixtrans-59.6-41.3175.8-70.5-179.6173.300112.1V59 V60 Y65 D66 I67V59-E63 WeakPolarHBondContact O-CG 3.35Å; V59-E63 PolarHBondContact O-N 2.94Å; V60-E63 PolarHBondContact O-N 3.22Å; E63-Y65 VanDerWaalsContact C-N 3.34Å; E63-Y65 PolarHBondContact O-N 3.47Å; E63-D66 PolarHBondContact O-N 3.08Å; E63-I67 VanDerWaalsContact O-CG1 3.27Å; E63-I67 WeakPolarHBondContact O-CG1 3.24Å; E63-I67 PolarHBondContact O-N 2.97Å
64R98.4Very high98Very high120 Ų120100.3 Ų100.345%0.45350%0.503SS..Hα-helixtrans-60.7-44.6176.2-174.3-166.166.669.34.7110.8V60 D61 E62 I67 E68V60-R64 VanDerWaalsContact O-CB 3.28Å; V60-R64 WeakPolarHBondContact O-CB 3.37Å; V60-R64 PolarHBondContact O-N 2.93Å; D61-R64 WeakPolarHBondContact O-CB 3.39Å; D61-R64 PolarHBondContact O-N 3.44Å; D61-R64 IonicContact OD1-CZ 3.97Å; D61-R64 VanDerWaalsContact OD1-CZ 3.26Å; D61-R64 IonicContact OD1-NE 3.26Å; D61-R64 PolarHBondContact OD1-NE 2.9Å; D61-R64 IonicContact OD1-NH2 3.99Å; D61-R64 PolarHBondContact OD1-NH2 3.44Å; D61-R64 IonicContact OD2-NH2 2.58Å; E62-R64 VanDerWaalsContact C-N 3.3Å; E62-R64 PolarHBondContact O-N 3.41Å; R64-I67 PolarHBondContact O-N 3.4Å; R64-E68 IonicContact CZ-OE2 3.87Å; R64-E68 IonicContact NH1-OE2 3.87Å; R64-E68 PolarHBondContact NH1-OE2 3.28Å; R64-E68 WeakPolarHBondContact O-CB 3.3Å; R64-E68 PolarHBondContact O-N 3.06Å
65Y98.3Very high98.1Very high149 Ų14999.2 Ų99.258%0.58450%0.501SS*.Hα-helixtrans-60.8-45.3178.2177.9-94.2000111.5D61 E62 E63 I67 E68 A69D61-Y65 WeakPolarHBondContact O-CB 3.41Å; D61-Y65 PolarHBondContact O-N 3.31Å; E62-Y65 WeakPolarHBondContact O-CB 3.27Å; E62-Y65 PolarHBondContact O-N 3.36Å; E62-Y65 VanDerWaalsContact O-N 3.16Å; E63-Y65 VanDerWaalsContact C-N 3.34Å; E63-Y65 PolarHBondContact O-N 3.47Å; Y65-I67 PolarHBondContact O-N 2.84Å; Y65-E68 PolarHBondContact O-N 3.22Å; Y65-A69 WeakPolarHBondContact O-CB 3.35Å; Y65-A69 PolarHBondContact O-N 2.88Å
66D98.4Very high98.1Very high80 Ų80103 Ų10343%0.42850%0.504SS..Hα-helixtrans-63.2-41.7177.6-86.6-4.5000112.8E62 E63 A69 K70E62-D66 PolarHBondContact O-N 3.46Å; E63-D66 PolarHBondContact O-N 3.08Å; D66-A69 PolarHBondContact O-N 2.9Å; D66-K70 WeakPolarHBondContact O-CG 3.32Å; D66-K70 PolarHBondContact O-N 3.37Å; D66-K70 VanDerWaalsContact O-N 3.1Å
67I98.3Very high98.2Very high101 Ų101101.7 Ų101.752%0.51850%0.5SS..Hα-helixtrans-64.1-44175.4-68.4165.9000110.2E63 R64 Y65 A69 K70 V71E63-I67 VanDerWaalsContact O-CG1 3.27Å; E63-I67 WeakPolarHBondContact O-CG1 3.24Å; E63-I67 PolarHBondContact O-N 2.97Å; R64-I67 PolarHBondContact O-N 3.4Å; Y65-I67 PolarHBondContact O-N 2.84Å; I67-A69 VanDerWaalsContact C-N 3.34Å; I67-A69 PolarHBondContact O-N 3.15Å; I67-K70 PolarHBondContact O-N 2.97Å; I67-V71 WeakPolarHBondContact O-CG2 3.26Å; I67-V71 PolarHBondContact O-N 2.9Å
68E98.3Very high98.2Very high108 Ų108100.9 Ų100.951%0.50550%0.496SS..Hα-helixtrans-61-42.5177.4-176.7171.5-167.200111.5R64 Y65 K70 V71 L72R64-E68 IonicContact CZ-OE2 3.87Å; R64-E68 IonicContact NH1-OE2 3.87Å; R64-E68 PolarHBondContact NH1-OE2 3.28Å; R64-E68 WeakPolarHBondContact O-CB 3.3Å; R64-E68 PolarHBondContact O-N 3.06Å; Y65-E68 PolarHBondContact O-N 3.22Å; E68-K70 VanDerWaalsContact C-N 3.35Å; E68-K70 PolarHBondContact O-N 3.02Å; E68-V71 PolarHBondContact O-N 3.3Å; E68-L72 WeakPolarHBondContact O-CB 3.41Å; E68-L72 PolarHBondContact O-N 3.02Å
69A98.4Very high98.2Very high47 Ų47102.9 Ų102.939%0.38850%0.5SS..Hα-helixtrans-60.7-42.2175.900000112.2Y65 D66 I67 L72 H73Y65-A69 WeakPolarHBondContact O-CB 3.35Å; Y65-A69 PolarHBondContact O-N 2.88Å; D66-A69 PolarHBondContact O-N 2.9Å; I67-A69 VanDerWaalsContact C-N 3.34Å; I67-A69 PolarHBondContact O-N 3.15Å; A69-L72 PolarHBondContact O-N 3.02Å; A69-H73 PolarHBondContact O-N 3.31Å
70K98.6Very high98.1Very high138 Ų138103.4 Ų103.460%0.650%0.501SS*.Hα-helixtrans-63.7-44.4174.9-70.9167.8-175.4165.70111.8D66 I67 E68 L72 H73 N74D66-K70 WeakPolarHBondContact O-CG 3.32Å; D66-K70 PolarHBondContact O-N 3.37Å; D66-K70 VanDerWaalsContact O-N 3.1Å; I67-K70 PolarHBondContact O-N 2.97Å; E68-K70 VanDerWaalsContact C-N 3.35Å; E68-K70 PolarHBondContact O-N 3.02Å; K70-L72 VanDerWaalsContact C-N 3.33Å; K70-L72 PolarHBondContact O-N 3.22Å; K70-H73 WeakPolarHBondContact O-CB 3.19Å; K70-H73 PolarHBondContact O-N 3.32Å; K70-N74 PolarHBondContact O-N 2.96Å; K70-N74 PolarHBondContact O-OD1 3.15Å
71V98.5Very high98.1Very high74 Ų74103.2 Ų103.245%0.44850%0.496SS..Hα-helixtrans-62-42.4176.2170.90000110.9I67 E68 H73 N74 N75I67-V71 WeakPolarHBondContact O-CG2 3.26Å; I67-V71 PolarHBondContact O-N 2.9Å; E68-V71 PolarHBondContact O-N 3.3Å; V71-H73 VanDerWaalsContact C-N 3.34Å; V71-H73 PolarHBondContact O-N 3.32Å; V71-N74 PolarHBondContact O-N 2.94Å; V71-N75 WeakPolarHBondContact O-CB 3.48Å; V71-N75 VanDerWaalsContact O-CG 3.28Å; V71-N75 PolarHBondContact O-N 3.41Å; V71-N75 PolarHBondContact O-ND2 2.67Å
72L98.3Very high97.9Very high81 Ų81103.8 Ų103.842%0.42450%0.499SS..Hα-helixtrans-63.8-40177.3-176.961.3000112E68 A69 K70 N75 R76E68-L72 WeakPolarHBondContact O-CB 3.41Å; E68-L72 PolarHBondContact O-N 3.02Å; A69-L72 PolarHBondContact O-N 3.02Å; K70-L72 VanDerWaalsContact C-N 3.33Å; K70-L72 PolarHBondContact O-N 3.22Å; L72-N75 PolarHBondContact O-N 2.95Å; L72-R76 VanDerWaalsContact CD2-NH2 3.34Å; L72-R76 WeakPolarHBondContact O-CG 3.32Å; L72-R76 PolarHBondContact O-N 3.05Å
73H98.3Very high97.6Very high115 Ų115101.2 Ų101.253%0.53249%0.489SS..Hα-helixtrans-59.1-52173.8-177.576.9000111.2A69 K70 V71 N75 R76 E77A69-H73 PolarHBondContact O-N 3.31Å; K70-H73 WeakPolarHBondContact O-CB 3.19Å; K70-H73 PolarHBondContact O-N 3.32Å; V71-H73 VanDerWaalsContact C-N 3.34Å; V71-H73 PolarHBondContact O-N 3.32Å; H73-N75 VanDerWaalsContact C-N 3.3Å; H73-N75 PolarHBondContact O-N 3.45Å; H73-R76 WeakPolarHBondContact O-CB 3.26Å; H73-R76 PolarHBondContact O-N 2.9Å; H73-R76 VanDerWaalsContact O-N 3.12Å; H73-E77 PolarHBondContact O-N 2.87Å
74N98.4Very high97.3Very high85 Ų85101.8 Ų101.846%0.45549%0.49SS..Hα-helixtrans-59.8-41.1178.6-66-4.7000111.7K70 V71 R76 E77 I78K70-N74 PolarHBondContact O-N 2.96Å; K70-N74 PolarHBondContact O-OD1 3.15Å; V71-N74 PolarHBondContact O-N 2.94Å; N74-R76 VanDerWaalsContact C-N 3.34Å; N74-R76 PolarHBondContact O-N 3.18Å; N74-E77 PolarHBondContact O-N 2.75Å; N74-I78 WeakPolarHBondContact O-CB 3.32Å; N74-I78 VanDerWaalsContact O-CG1 3.23Å; N74-I78 WeakPolarHBondContact O-CG1 3.41Å; N74-I78 PolarHBondContact O-N 2.94Å
75N98.3Very high96.9Very high92 Ų9299.9 Ų99.949%0.49249%0.491SS..Hα-helixtrans-63.1-38.8177.2-77.7-30.3000112.7V71 L72 H73 K79V71-N75 WeakPolarHBondContact O-CB 3.48Å; V71-N75 VanDerWaalsContact O-CG 3.28Å; V71-N75 PolarHBondContact O-N 3.41Å; V71-N75 PolarHBondContact O-ND2 2.67Å; L72-N75 PolarHBondContact O-N 2.95Å; H73-N75 VanDerWaalsContact C-N 3.3Å; H73-N75 PolarHBondContact O-N 3.45Å; N75-K79 WeakPolarHBondContact O-CB 3.43Å; N75-K79 PolarHBondContact O-N 3.03Å
76R98.2Very high96.4Very high151 Ų15196.2 Ų96.257%0.5748%0.481SS*.Hα-helixtrans-64.8-46.9174.7-71.5171.6-174172.42.6110.6L72 H73 N74 I78 K79 D80L72-R76 VanDerWaalsContact CD2-NH2 3.34Å; L72-R76 WeakPolarHBondContact O-CG 3.32Å; L72-R76 PolarHBondContact O-N 3.05Å; H73-R76 WeakPolarHBondContact O-CB 3.26Å; H73-R76 PolarHBondContact O-N 2.9Å; H73-R76 VanDerWaalsContact O-N 3.12Å; N74-R76 VanDerWaalsContact C-N 3.34Å; N74-R76 PolarHBondContact O-N 3.18Å; R76-I78 PolarHBondContact O-N 2.73Å; R76-K79 WeakPolarHBondContact O-CB 3.44Å; R76-K79 PolarHBondContact O-N 3.42Å; R76-D80 PolarHBondContact O-N 3.22Å
77E98.1Very high95.9Very high102 Ų10298.1 Ų98.148%0.47749%0.491SS..Hα-helixtrans-61.5-46.4178.4-172.1177.1-169.200111.8H73 N74 K79 D80 L81H73-E77 PolarHBondContact O-N 2.87Å; N74-E77 PolarHBondContact O-N 2.75Å; E77-K79 VanDerWaalsContact C-N 3.27Å; E77-K79 PolarHBondContact O-N 2.95Å; E77-D80 PolarHBondContact O-N 2.98Å; E77-D80 VanDerWaalsContact O-N 3.16Å; E77-L81 HydrophobicContact CG-CD1 4.02Å; E77-L81 HydrophobicContact CG-CG 4.33Å; E77-L81 WeakPolarHBondContact O-CB 3.47Å; E77-L81 VanDerWaalsContact O-CG 3.28Å; E77-L81 WeakPolarHBondContact O-CG 3.43Å; E77-L81 PolarHBondContact O-N 2.65Å
78I98Very high95.2Very high90 Ų90100.5 Ų100.546%0.46250%0.504SS..Hα-helixtrans-57.9-41.3175.2-71.3166.2000110.9N74 R76 N82N74-I78 WeakPolarHBondContact O-CB 3.32Å; N74-I78 VanDerWaalsContact O-CG1 3.23Å; N74-I78 WeakPolarHBondContact O-CG1 3.41Å; N74-I78 PolarHBondContact O-N 2.94Å; R76-I78 PolarHBondContact O-N 2.73Å; I78-N82 WeakPolarHBondContact CG2-ND2 3.34Å; I78-N82 WeakPolarHBondContact O-CB 3.35Å; I78-N82 VanDerWaalsContact O-CG 3.29Å; I78-N82 PolarHBondContact O-N 2.91Å; I78-N82 PolarHBondContact O-ND2 2.82Å
79K97.1Very high94.3Very high138 Ų138104 Ų10460%0.651%0.513SS*.Hα-helixtrans-63.1-46177.2-176.6-177.5177.1-175.50111.3N75 R76 E77 N82 I83N75-K79 WeakPolarHBondContact O-CB 3.43Å; N75-K79 PolarHBondContact O-N 3.03Å; R76-K79 WeakPolarHBondContact O-CB 3.44Å; R76-K79 PolarHBondContact O-N 3.42Å; E77-K79 VanDerWaalsContact C-N 3.27Å; E77-K79 PolarHBondContact O-N 2.95Å; K79-N82 PolarHBondContact O-N 2.76Å; K79-I83 HydrophobicContact CG-CD1 4.43Å; K79-I83 WeakPolarHBondContact O-CG1 3.47Å; K79-I83 PolarHBondContact O-N 3.16Å
80D96.8Very high92.9Very high89 Ų89103.5 Ų103.548%0.47651%0.512SS..Hα-helixtrans-65.8-41.4179.6-69.5-12000111.4R76 E77 I83 K84R76-D80 PolarHBondContact O-N 3.22Å; E77-D80 PolarHBondContact O-N 2.98Å; E77-D80 VanDerWaalsContact O-N 3.16Å; D80-I83 PolarHBondContact O-N 3.4Å; D80-K84 WeakPolarHBondContact O-CG 3.42Å; D80-K84 PolarHBondContact O-N 3.34Å
81L96.8Very high91.1Very high83 Ų83106.7 Ų106.744%0.43553%0.526SS..Hα-helixtrans-62.5-42.5173.9-70.8174.2000111.6E77 I83 K84 V85E77-L81 HydrophobicContact CG-CD1 4.02Å; E77-L81 HydrophobicContact CG-CG 4.33Å; E77-L81 WeakPolarHBondContact O-CB 3.47Å; E77-L81 VanDerWaalsContact O-CG 3.28Å; E77-L81 WeakPolarHBondContact O-CG 3.43Å; E77-L81 PolarHBondContact O-N 2.65Å; L81-I83 VanDerWaalsContact C-N 3.31Å; L81-I83 PolarHBondContact O-N 2.58Å; L81-K84 PolarHBondContact O-N 2.88Å; L81-V85 VanDerWaalsContact O-CG2 3.3Å; L81-V85 WeakPolarHBondContact O-CG2 3.11Å; L81-V85 PolarHBondContact O-N 3.46Å
82N93.9Very high89.2Confident91 Ų91112 Ų11249%0.48754%0.544SS..Hα-helixtrans-60.8-39.7175.9-83.2-49.8000112.2I78 K79 V85 L86I78-N82 WeakPolarHBondContact CG2-ND2 3.34Å; I78-N82 WeakPolarHBondContact O-CB 3.35Å; I78-N82 VanDerWaalsContact O-CG 3.29Å; I78-N82 PolarHBondContact O-N 2.91Å; I78-N82 PolarHBondContact O-ND2 2.82Å; K79-N82 PolarHBondContact O-N 2.76Å; N82-V85 PolarHBondContact O-N 3.11Å; N82-L86 VanDerWaalsContact O-CG 3.27Å; N82-L86 WeakPolarHBondContact O-CG 3.36Å; N82-L86 PolarHBondContact O-N 3.11Å
83I92Very high87.5Confident79 Ų79117 Ų11741%0.40556%0.561SS.*Hα-helixtrans-62.7-49.3174.5-66.8165.4000109.9K79 D80 L81 V85 L86 D87K79-I83 HydrophobicContact CG-CD1 4.43Å; K79-I83 WeakPolarHBondContact O-CG1 3.47Å; K79-I83 PolarHBondContact O-N 3.16Å; D80-I83 PolarHBondContact O-N 3.4Å; L81-I83 VanDerWaalsContact C-N 3.31Å; L81-I83 PolarHBondContact O-N 2.58Å; I83-V85 VanDerWaalsContact C-N 3.33Å; I83-V85 PolarHBondContact O-N 3.21Å; I83-L86 WeakPolarHBondContact O-CB 3.46Å; I83-L86 PolarHBondContact O-N 3.07Å; I83-L86 VanDerWaalsContact O-N 3.08Å; I83-D87 PolarHBondContact O-N 3.4Å
84K92.1Very high85.7Confident125 Ų125120.8 Ų120.854%0.54357%0.571SS.*Hα-helixtrans-58-43.6177.4-70172.3-177.2174.40112.2D80 L81 L86 D87 L88D80-K84 WeakPolarHBondContact O-CG 3.42Å; D80-K84 PolarHBondContact O-N 3.34Å; L81-K84 PolarHBondContact O-N 2.88Å; K84-L86 VanDerWaalsContact C-N 3.31Å; K84-L86 PolarHBondContact O-N 3.26Å; K84-D87 PolarHBondContact O-N 3.01Å; K84-L88 WeakPolarHBondContact O-CB 3.47Å; K84-L88 VanDerWaalsContact O-CG 3.24Å; K84-L88 WeakPolarHBondContact O-CG 3.47Å; K84-L88 PolarHBondContact O-N 3.34Å
85V90.9Very high84.2Confident79 Ų79122.1 Ų122.148%0.47958%0.584SS.*Hα-helixtrans-61.2-40.9176.5168.80000111.1L81 N82 I83 R89L81-V85 VanDerWaalsContact O-CG2 3.3Å; L81-V85 WeakPolarHBondContact O-CG2 3.11Å; L81-V85 PolarHBondContact O-N 3.46Å; N82-V85 PolarHBondContact O-N 3.11Å; I83-V85 VanDerWaalsContact C-N 3.33Å; I83-V85 PolarHBondContact O-N 3.21Å; V85-R89 VanDerWaalsContact O-CB 3.26Å; V85-R89 WeakPolarHBondContact O-CB 3.39Å; V85-R89 PolarHBondContact O-N 3.22Å
86L87.3Confident82.8Confident72 Ų72124.7 Ų124.738%0.37760%0.598SS.*Hα-helixtrans-64.3-42.8176.4-73.1170.6000112.2N82 I83 K84N82-L86 VanDerWaalsContact O-CG 3.27Å; N82-L86 WeakPolarHBondContact O-CG 3.36Å; N82-L86 PolarHBondContact O-N 3.11Å; I83-L86 WeakPolarHBondContact O-CB 3.46Å; I83-L86 PolarHBondContact O-N 3.07Å; I83-L86 VanDerWaalsContact O-N 3.08Å; K84-L86 VanDerWaalsContact C-N 3.31Å; K84-L86 PolarHBondContact O-N 3.26Å
87D86.7Confident81.3Confident120 Ų120125.7 Ų125.764%0.64261%0.614SS**Hα-helixtrans-66.8-42.1178.8-68.6-23.6000111.5I83 K84 G90I83-D87 PolarHBondContact O-N 3.4Å; K84-D87 PolarHBondContact O-N 3.01Å; D87-G90 PolarHBondContact O-N 2.94Å
88L85.2Confident80.1Confident151 Ų151131.4 Ų131.479%0.79163%0.631SS**Hα-helixtrans-68.9-36.1178.3-72173.9000113.4K84 G90K84-L88 WeakPolarHBondContact O-CB 3.47Å; K84-L88 VanDerWaalsContact O-CG 3.24Å; K84-L88 WeakPolarHBondContact O-CG 3.47Å; K84-L88 PolarHBondContact O-N 3.34Å; L88-G90 PolarHBondContact O-N 3.16Å
89R77.8Confident79Confident183 Ų183138.1 Ų138.169%0.69165%0.651SS**THydrogen-bonded Turntrans-65.7-4.5175.2-166.9165.765.5-1780.5112.5V85V85-R89 VanDerWaalsContact O-CB 3.26Å; V85-R89 WeakPolarHBondContact O-CB 3.39Å; V85-R89 PolarHBondContact O-N 3.22Å
90G69.3Low77.8Confident36 Ų36137.9 Ų137.937%0.37166%0.661SS.*  trans86.6151.6-18000000111.5D87 L88 F92D87-G90 PolarHBondContact O-N 2.94Å; L88-G90 PolarHBondContact O-N 3.16Å; G90-F92 PolarHBondContact O-N 3.23Å
91K62.3Low76.9Confident205 Ų205143.8 Ų143.889%0.89168%0.676SS**  trans-68.171.2177.9-163.5179.2-171.1174.40110.4K93K91-K93 PolarHBondContact O-N 3.39Å
92F58.5Low76.1Confident186 Ų186144.5 Ų144.582%0.81668%0.684SS**  trans-50.5112.9154.3-118.4-91000104.5G90 R94G90-F92 PolarHBondContact O-N 3.23Å; F92-R94 VanDerWaalsContact C-N 3.31Å; F92-R94 PolarHBondContact O-N 3.04Å
93K61.2Low75.2Confident184 Ų184143.5 Ų143.580%0.868%0.684SS**  trans-54.9105.4174.4-76.8-165.6-179.4-175.60105K91 P95K91-K93 PolarHBondContact O-N 3.39Å; K93-P95 WeakPolarHBondContact O-CD 3.43Å
94R60.6Low74.2Confident196 Ų196142.6 Ų142.674%0.7469%0.688SS**  trans-49.7114.6167.8-86.3-173.9175-162.3-0.6104.1F92 N96F92-R94 VanDerWaalsContact C-N 3.31Å; F92-R94 PolarHBondContact O-N 3.04Å; R94-N96 PolarHBondContact O-N 3.03Å; R94-N96 VanDerWaalsContact O-N 3.11Å
95P67Low73Confident112 Ų112139 Ų13973%0.72768%0.675SS**  trans-51.9128.5175.7-24.534.3000106.3K93 L97K93-P95 WeakPolarHBondContact O-CD 3.43Å; P95-L97 PolarHBondContact O-N 3.2Å; P95-L97 VanDerWaalsContact O-N 3.16Å
96N68.8Low72.2Confident147 Ų147137.2 Ų137.279%0.78667%0.668SS**  trans-45.1129.3-176.3-68.6-6.1000108.8R94 R98R94-N96 PolarHBondContact O-N 3.03Å; R94-N96 VanDerWaalsContact O-N 3.11Å; N96-R98 WeakPolarHBondContact O-CG 3.44Å; N96-R98 PolarHBondContact O-N 3.13Å
97L67.1Low71.7Confident172 Ų172137.6 Ų137.690%0.90167%0.67SS**  trans-53.3101.3-178-68172.6000108.6P95P95-L97 PolarHBondContact O-N 3.2Å; P95-L97 VanDerWaalsContact O-N 3.16Å
98R73.2Confident71Confident221 Ų221135.6 Ų135.683%0.83466%0.659SS**  trans-80.3135.2174.2-65.9-171.9179.4-156-0.9106.4N96 V100N96-R98 WeakPolarHBondContact O-CG 3.44Å; N96-R98 PolarHBondContact O-N 3.13Å; R98-V100 VanDerWaalsContact C-N 3.28Å; R98-V100 PolarHBondContact O-N 3.48Å
99R74.4Confident70.3Confident231 Ų231134.5 Ų134.587%0.87264%0.644SS**  trans-63.794.4169.6-169.1-175.5-62.1-179.51.5107.7R101R99-R101 PolarHBondContact O-N 3.34Å; R99-R101 VanDerWaalsContact O-N 3.16Å
100V72.6Confident70.1Confident134 Ų134130.8 Ų130.881%0.81265%0.646SS**  trans-70.4109.2174.1-177.30000106.2R98R98-V100 VanDerWaalsContact C-N 3.28Å; R98-V100 PolarHBondContact O-N 3.48Å
101R78.1Confident70.3Confident213 Ų213135.4 Ų135.480%0.80466%0.662SS**PPolyproline II helixtrans-70.4151.6170.5-64.3-178.2-179.9-176.4-1108.2R99 S103R99-R101 PolarHBondContact O-N 3.34Å; R99-R101 VanDerWaalsContact O-N 3.16Å; R101-S103 PolarHBondContact O-N 2.92Å
102V78.4Confident70.7Confident98 Ų98129.1 Ų129.159%0.59464%0.637SS**PPolyproline II helixtrans-47.9127.3173.9-173.70000108.5A106 I107V102-A106 HydrophobicContact CG1-CB 3.54Å; V102-I107 HydrophobicContact CB-CD1 4.14Å; V102-I107 HydrophobicContact CB-CG1 3.83Å; V102-I107 HydrophobicContact CG1-CD1 4.4Å; V102-I107 HydrophobicContact CG1-CG1 3.56Å
103S76Confident71.3Confident70 Ų70122.4 Ų122.449%0.4962%0.62SS.*PPolyproline II helixtrans-62.1152.3-176.965.70000110.2R101 D105 A106 I107R101-S103 PolarHBondContact O-N 2.92Å; S103-D105 PolarHBondContact O-N 3.42Å; S103-A106 PolarHBondContact O-N 3.44Å; S103-A106 WeakPolarHBondContact OG-CB 3.46Å; S103-A106 PolarHBondContact OG-N 2.93Å; S103-I107 PolarHBondContact O-N 2.88Å
104A70.7Confident71.4Confident59 Ų59119.6 Ų119.649%0.48862%0.624SS.*Hα-helixtrans-53.7-38.3176.600000111.7I107 L108 M120A104-I107 PolarHBondContact O-N 3.44Å; A104-L108 VanDerWaalsContact O-CB 3.28Å; A104-L108 WeakPolarHBondContact O-CB 3.49Å; A104-L108 WeakPolarHBondContact O-CD1 3.45Å; A104-L108 VanDerWaalsContact O-CG 3.23Å; A104-L108 WeakPolarHBondContact O-CG 3.36Å; A104-L108 PolarHBondContact O-N 3.03Å; A104-M120 HydrophobicContact CB-SD 4.46Å
105D68.1Low71.4Confident50 Ų50119 Ų11927%0.26763%0.627SS.*Hα-helixtrans-63.8-41.1176.4-166.770.3000112.9S103 L108 R109S103-D105 PolarHBondContact O-N 3.42Å; D105-L108 PolarHBondContact O-N 2.89Å; D105-R109 WeakPolarHBondContact O-CB 3.45Å; D105-R109 PolarHBondContact O-N 3.24Å; D105-R109 IonicContact OD2-CZ 3.92Å; D105-R109 IonicContact OD2-NE 3.1Å; D105-R109 PolarHBondContact OD2-NE 3.23Å; D105-R109 VanDerWaalsContact OD2-NE 3.1Å; D105-R109 IonicContact OD2-NH2 2.78Å
106A73.9Confident70.8Confident41 Ų41118.8 Ų118.834%0.33962%0.615SS.*Hα-helixtrans-70.4-38.7178.400000112.1V102 S103 S110V102-A106 HydrophobicContact CG1-CB 3.54Å; S103-A106 PolarHBondContact O-N 3.44Å; S103-A106 WeakPolarHBondContact OG-CB 3.46Å; S103-A106 PolarHBondContact OG-N 2.93Å; A106-S110 WeakPolarHBondContact O-CB 3.42Å; A106-S110 PolarHBondContact O-N 3.48Å; A106-S110 VanDerWaalsContact O-N 3.12Å
107I76.4Confident70.3Confident81 Ų81120.1 Ų120.142%0.41561%0.614SS.*Hα-helixtrans-64.8-45.8173.2-62.8178.2000110.1V102 S103 A104 S110 L111V102-I107 HydrophobicContact CB-CD1 4.14Å; V102-I107 HydrophobicContact CB-CG1 3.83Å; V102-I107 HydrophobicContact CG1-CD1 4.4Å; V102-I107 HydrophobicContact CG1-CG1 3.56Å; S103-I107 PolarHBondContact O-N 2.88Å; A104-I107 PolarHBondContact O-N 3.44Å; I107-S110 PolarHBondContact O-N 2.99Å; I107-L111 HydrophobicContact CG2-CD1 3.59Å; I107-L111 HydrophobicContact CG2-CG 4.21Å; I107-L111 WeakPolarHBondContact O-CB 3.41Å; I107-L111 WeakPolarHBondContact O-CG 3.3Å; I107-L111 PolarHBondContact O-N 3.1Å
108L70.6Confident69.9Low77 Ų77116.6 Ų116.640%0.40360%0.6SS.*Hα-helixtrans-65.6-40.5-179.2-76.3166.3000112.4A104 D105 S110 L111 L112A104-L108 VanDerWaalsContact O-CB 3.28Å; A104-L108 WeakPolarHBondContact O-CB 3.49Å; A104-L108 WeakPolarHBondContact O-CD1 3.45Å; A104-L108 VanDerWaalsContact O-CG 3.23Å; A104-L108 WeakPolarHBondContact O-CG 3.36Å; A104-L108 PolarHBondContact O-N 3.03Å; D105-L108 PolarHBondContact O-N 2.89Å; L108-S110 VanDerWaalsContact C-N 3.34Å; L108-S110 PolarHBondContact O-N 3.1Å; L108-L111 PolarHBondContact O-N 2.87Å; L108-L112 HydrophobicContact CD2-CD1 3.57Å; L108-L112 HydrophobicContact CD2-CG 4.44Å; L108-L112 VanDerWaalsContact O-CB 3.3Å; L108-L112 WeakPolarHBondContact O-CB 3.23Å; L108-L112 PolarHBondContact O-N 3.19Å
109R71.1Confident69Low129 Ų129108 Ų10849%0.48757%0.573SS.*Hα-helixtrans-60-43.2171.7-86.7177.1-160.8-87.8-6.6112.6D105 G113D105-R109 WeakPolarHBondContact O-CB 3.45Å; D105-R109 PolarHBondContact O-N 3.24Å; D105-R109 IonicContact OD2-CZ 3.92Å; D105-R109 IonicContact OD2-NE 3.1Å; D105-R109 PolarHBondContact OD2-NE 3.23Å; D105-R109 VanDerWaalsContact OD2-NE 3.1Å; D105-R109 IonicContact OD2-NH2 2.78Å; R109-G113 WeakPolarHBondContact O-CA 3.28Å; R109-G113 PolarHBondContact O-N 3.12Å; R109-G113 VanDerWaalsContact O-N 3.1Å
110S73.6Confident68.3Low104 Ų104103.4 Ų103.473%0.72756%0.564SS**Hα-helixtrans-68.7-36.5-179.3-1720000112.4A106 I107 L108A106-S110 WeakPolarHBondContact O-CB 3.42Å; A106-S110 PolarHBondContact O-N 3.48Å; A106-S110 VanDerWaalsContact O-N 3.12Å; I107-S110 PolarHBondContact O-N 2.99Å; L108-S110 VanDerWaalsContact C-N 3.34Å; L108-S110 PolarHBondContact O-N 3.1Å
111L73.4Confident67.8Low134 Ų134102.3 Ų102.370%0.70255%0.553SS**Hα-helixtrans-86.6-34-176.6-69.2177000113.5I107 L108I107-L111 HydrophobicContact CG2-CD1 3.59Å; I107-L111 HydrophobicContact CG2-CG 4.21Å; I107-L111 WeakPolarHBondContact O-CB 3.41Å; I107-L111 WeakPolarHBondContact O-CG 3.3Å; I107-L111 PolarHBondContact O-N 3.1Å; L108-L111 PolarHBondContact O-N 2.87Å
112L71.4Confident66.9Low73 Ų7399.7 Ų99.738%0.38255%0.554SS.*Hα-helixtrans-111.8-1.4-170.3-56.3177.1000113.6L108 K115 H116L108-L112 HydrophobicContact CD2-CD1 3.57Å; L108-L112 HydrophobicContact CD2-CG 4.44Å; L108-L112 VanDerWaalsContact O-CB 3.3Å; L108-L112 WeakPolarHBondContact O-CB 3.23Å; L108-L112 PolarHBondContact O-N 3.19Å; L112-K115 PolarHBondContact O-N 3.27Å; L112-H116 HydrophobicContact CB-CB 4.3Å; L112-H116 HydrophobicContact CD1-CB 4.05Å
113G70.2Confident66.2Low44 Ų44105.4 Ų105.445%0.45457%0.565SS.*G310 helixtrans53.9-139.1178.100000112.6R109 K115R109-G113 WeakPolarHBondContact O-CA 3.28Å; R109-G113 PolarHBondContact O-N 3.12Å; R109-G113 VanDerWaalsContact O-N 3.1Å; G113-K115 PolarHBondContact O-N 3.24Å
114S63.1Low65.7Low125 Ų125105 Ų10587%0.87457%0.566SS**G310 helixtrans-72.6-8.5-177.372.40000114.8H116S114-H116 PolarHBondContact O-N 3.28Å
115K60.4Low65.3Low184 Ų184109.8 Ų109.880%0.858%0.584SS**G310 helixtrans-79-19.3-168.2-157.1174.3-177.7-178.60113.8L112 G113L112-K115 PolarHBondContact O-N 3.27Å; G113-K115 PolarHBondContact O-N 3.24Å
116H56Low65.5Low107 Ų107113.2 Ų113.250%0.49560%0.601SS.*  trans-124.580175.1-85.774.4000110.7L112 S114 V118L112-H116 HydrophobicContact CB-CB 4.3Å; L112-H116 HydrophobicContact CD1-CB 4.05Å; S114-H116 PolarHBondContact O-N 3.28Å; H116-V118 PolarHBondContact O-N 3.48Å
117K57Low65.3Low176 Ų176120.9 Ų120.977%0.76563%0.627SS**  trans-90.652.4169.9-161.6178.1179.9-179.30110.3S119K117-S119 PolarHBondContact O-N 3.24Å
118V59Low64.8Low97 Ų97122.2 Ų122.259%0.58864%0.643SS**  trans-87.6100.1171.3-176.90000106.7H116 M120H116-V118 PolarHBondContact O-N 3.48Å; V118-M120 PolarHBondContact O-N 2.62Å
119S55.5Low64.3Low40 Ų40124.3 Ų124.328%0.2866%0.659SS.*  trans-60.9122166.7149.70000107.5K117 D121 A124K117-S119 PolarHBondContact O-N 3.24Å; S119-D121 PolarHBondContact O-N 3.24Å; S119-D121 WeakPolarHBondContact OG-CB 3.13Å; S119-D121 PolarHBondContact OG-N 3.07Å; S119-D121 VanDerWaalsContact OG-N 3.07Å; S119-D121 PolarHBondContact OG-OD2 3.4Å; S119-A124 WeakPolarHBondContact O-CB 3.13Å
120M59.5Low63.4Low136 Ų136125 Ų12567%0.6767%0.666SS**  trans-77.914.8171.1-65.2-171.572.900112.1A104 V118A104-M120 HydrophobicContact CB-SD 4.46Å; V118-M120 PolarHBondContact O-N 2.62Å
121D61.8Low62.6Low110 Ų110128.9 Ų128.959%0.58867%0.669SS**SBendtrans-63.3140.6175.5-60.3-36.8000108.9S119 R123 A124S119-D121 PolarHBondContact O-N 3.24Å; S119-D121 WeakPolarHBondContact OG-CB 3.13Å; S119-D121 PolarHBondContact OG-N 3.07Å; S119-D121 VanDerWaalsContact OG-N 3.07Å; S119-D121 PolarHBondContact OG-OD2 3.4Å; D121-R123 HydrophobicContact CB-CB 4.5Å; D121-R123 PolarHBondContact O-N 2.87Å; D121-A124 WeakPolarHBondContact O-CB 3.48Å; D121-A124 PolarHBondContact O-N 2.89Å
122L58.6Low61.4Low159 Ų159129.2 Ų129.283%0.83267%0.667SS**THydrogen-bonded Turntrans-49.7-28175.6-171.571.6000112.2L126L122-L126 WeakPolarHBondContact O-CG 3.46Å
123R64.1Low60.2Low218 Ų218131 Ų13182%0.82368%0.677SS**THydrogen-bonded Turntrans-71.4-28.9179.5-159.7177.3-170.8126.81.3114.2D121D121-R123 HydrophobicContact CB-CB 4.5Å; D121-R123 PolarHBondContact O-N 2.87Å
124A64.9Low59Low62 Ų62131.8 Ų131.851%0.51267%0.674SS.*THydrogen-bonded Turntrans-75.3-24.8-174.300000113.4S119 D121S119-A124 WeakPolarHBondContact O-CB 3.13Å; D121-A124 WeakPolarHBondContact O-CB 3.48Å; D121-A124 PolarHBondContact O-N 2.89Å
125N63.6Low58.4Low159 Ų159133.3 Ų133.385%0.8567%0.667SS**THydrogen-bonded Turntrans-93.7-2.8178.7-109-37.6000113.9
126L71.8Confident57.8Low121 Ų121132.8 Ų132.863%0.63466%0.664SS**SBendtrans-81.9124175.8-66.8171.7000109.1L122 S128L122-L126 WeakPolarHBondContact O-CG 3.46Å; L126-S128 PolarHBondContact O-N 3.25Å; L126-S128 VanDerWaalsContact O-N 3.12Å
127K68.8Low57.2Low202 Ų202136.1 Ų136.188%0.87868%0.68SS**  trans-57.1117.8173.5-79.2-176.5177.7179.80109.3V129K127-V129 PolarHBondContact O-N 3.12Å
128S65.8Low56.8Low109 Ų109134.8 Ų134.876%0.76268%0.675SS**  trans-69.2113.2165.456.20000108.4L126 K130L126-S128 PolarHBondContact O-N 3.25Å; L126-S128 VanDerWaalsContact O-N 3.12Å; S128-K130 PolarHBondContact O-N 3.12Å; S128-K130 VanDerWaalsContact O-N 3.12Å
129V60.7Low56.1Low122 Ų122135.7 Ų135.774%0.73968%0.68SS**  trans-68.8108.7168.3179.20000106.9K127 K131K127-V129 PolarHBondContact O-N 3.12Å; V129-K131 PolarHBondContact O-N 3.29Å
130K52.3Low55.9Low143 Ų143139.3 Ų139.362%0.62270%0.7SS**  trans-61.1123.5165.6-81-176.4174.6-1750106.8S128 E132 D133S128-K130 PolarHBondContact O-N 3.12Å; S128-K130 VanDerWaalsContact O-N 3.12Å; K130-E132 PolarHBondContact O-N 3.28Å; K130-D133 PolarHBondContact O-N 3.07Å
131K56.8Low55.4Low185 Ų185141.3 Ų141.380%0.80471%0.708SS**THydrogen-bonded Turntrans-63.4-4.3177.4-85.8-174.2175.4-178.40114V129 T134V129-K131 PolarHBondContact O-N 3.29Å; K131-T134 PolarHBondContact O-OG1 3Å; K131-T134 VanDerWaalsContact O-OG1 3.07Å
132E48.7Very low54.8Low142 Ų142141.9 Ų141.966%0.66472%0.716SS**THydrogen-bonded Turntrans-73.2-29.5178.9-66.1178.9171.700113K130K130-E132 PolarHBondContact O-N 3.28Å
133D46.8Very low54.3Low109 Ų109139.8 Ų139.858%0.58371%0.714SS**Hα-helixtrans-84.2-19.5-177.9-67.2-34.8000113K130 E135 K136 E137K130-D133 PolarHBondContact O-N 3.07Å; D133-E135 PolarHBondContact O-N 3.44Å; D133-K136 PolarHBondContact O-N 3.44Å; D133-E137 PolarHBondContact O-N 3.38Å
134T44.3Very low54Low62 Ų62133.4 Ų133.438%0.3870%0.696SS.*Hα-helixtrans-70.3-13.1175.59.90000114.6K131 K138K131-T134 PolarHBondContact O-OG1 3Å; K131-T134 VanDerWaalsContact O-OG1 3.07Å; T134-K138 WeakPolarHBondContact O-CD 3.2Å; T134-K138 WeakPolarHBondContact O-CG 3.19Å
135E49.6Very low53.6Low157 Ų157141.1 Ų141.173%0.73471%0.712SS**Hα-helixtrans-88-30.2174.9-103.5-179.6171.800112.6D133D133-E135 PolarHBondContact O-N 3.44Å
136K48.1Very low53.3Low172 Ų172142.6 Ų142.675%0.74871%0.706SS**Hα-helixtrans-85.9-22.5-176.5-68.6-178.9-178.2172.80113.7D133D133-K136 PolarHBondContact O-N 3.44Å
137E44.3Very low52.6Low177 Ų177144 Ų14483%0.82771%0.707SS**SBendtrans-92.5-6176.9-130.1176.4-168.800113.6D133D133-E137 PolarHBondContact O-N 3.38Å
138K47.7Very low52.2Low149 Ų149140.3 Ų140.365%0.64870%0.697SS**SBendtrans-87.8-4.7-179-84.6-176.5-172.7176.40115.3T134T134-K138 WeakPolarHBondContact O-CD 3.2Å; T134-K138 WeakPolarHBondContact O-CG 3.19Å
139T44.3Very low51.7Low115 Ų115140 Ų14071%0.70669%0.69SS**SBendtrans-88.2-5.5-170.351.10000115
140V51.2Low51.7Low116 Ų116141.2 Ų141.270%0.70369%0.688SS**SBendtrans-113.9-25.1-170.4-173.30000115
141E49.8Very low52Low178 Ų178138.3 Ų138.383%0.83269%0.69SS**SBendtrans-126.129-171-68.6-167.516100116.1
142V48.8Very low51.8Low123 Ų123137 Ų13775%0.74569%0.689SS**  trans-128.851.6161.3-163.60000110.1D144V142-D144 PolarHBondContact O-N 2.93Å; V142-D144 VanDerWaalsContact O-N 3.09Å
143S48.5Very low52.2Low114 Ų114134.8 Ų134.880%0.79769%0.689SS**SBendtrans-77.486.5158.1-88.80000109
144D57.4Low52.7Low84 Ų84132.9 Ų132.945%0.44970%0.696SS.*  trans49.189.4147.2-1451.5000116.6V142 R146 K147V142-D144 PolarHBondContact O-N 2.93Å; V142-D144 VanDerWaalsContact O-N 3.09Å; D144-R146 PolarHBondContact O-N 3.09Å; D144-K147 PolarHBondContact O-N 3.1Å
145W57.4Low53.3Low225 Ų225138 Ų13885%0.85272%0.717SS**Hα-helixtrans-53.2-17.8172.6-75.1-13.9000113.8V149W145-V149 WeakPolarHBondContact O-CG2 3.47Å
146R55.7Low53.5Low190 Ų190139.9 Ų139.972%0.71773%0.726SS**Hα-helixtrans-62.9-38.5172.8-83.5-178.9171.7146-2.3113.8D144 N148 V149 E150D144-R146 PolarHBondContact O-N 3.09Å; R146-N148 VanDerWaalsContact C-N 3.33Å; R146-N148 PolarHBondContact O-N 3.22Å; R146-V149 PolarHBondContact O-N 3.48Å; R146-E150 PolarHBondContact O-N 3.02Å; R146-E150 VanDerWaalsContact O-N 3.1Å
147K58.8Low53.8Low151 Ų151134.8 Ų134.866%0.65772%0.722SS**Hα-helixtrans-67.4-32.7-178.8-80.4-176.4177.2176.30113.1D144 A151D144-K147 PolarHBondContact O-N 3.1Å; K147-A151 PolarHBondContact O-N 3.31Å
148N59Low54.2Low123 Ų123137.6 Ų137.666%0.65873%0.725SS**Hα-helixtrans-74.9-29.3179.9-158.422.3000112.2R146R146-N148 VanDerWaalsContact C-N 3.33Å; R146-N148 PolarHBondContact O-N 3.22Å
149V56.4Low54.8Low104 Ų104138.5 Ų138.563%0.6373%0.729SS**Hα-helixtrans-79-40177.5176.80000111.4W145 R146 A151 M152 S153W145-V149 WeakPolarHBondContact O-CG2 3.47Å; R146-V149 PolarHBondContact O-N 3.48Å; V149-A151 PolarHBondContact O-N 3.26Å; V149-M152 PolarHBondContact O-N 3.33Å; V149-S153 PolarHBondContact O-N 3.41Å
150E58.9Low55.1Low146 Ų146141.6 Ų141.668%0.68273%0.733SS**Hα-helixtrans-66.3-34.3176.3-77.4177.3170.600113R146 M152 S153R146-E150 PolarHBondContact O-N 3.02Å; R146-E150 VanDerWaalsContact O-N 3.1Å; E150-M152 PolarHBondContact O-N 3.44Å; E150-S153 PolarHBondContact O-N 3.27Å
151A59.4Low54.9Low82 Ų82143.8 Ų143.868%0.67874%0.737SS**THydrogen-bonded Turntrans-65-23.6175.200000113.5K147 V149K147-A151 PolarHBondContact O-N 3.31Å; V149-A151 PolarHBondContact O-N 3.26Å
152M53.5Low54.5Low157 Ų157143.8 Ų143.877%0.77374%0.735SS**THydrogen-bonded Turntrans-97.1-10.5179.9-75.3-83.6-85.300113.5V149 E150 G154V149-M152 PolarHBondContact O-N 3.33Å; E150-M152 PolarHBondContact O-N 3.44Å; M152-G154 VanDerWaalsContact C-N 3.33Å; M152-G154 PolarHBondContact O-N 3.28Å
153S55.4Low54.1Low97 Ų97145.2 Ų145.268%0.67874%0.738SS**THydrogen-bonded Turntrans-83.8-1.4-176.5-170.30000114.3V149 E150V149-S153 PolarHBondContact O-N 3.41Å; E150-S153 PolarHBondContact O-N 3.27Å
154G58.3Low53.8Low69 Ų69144 Ų14471%0.71174%0.735SS**THydrogen-bonded Turntrans-99.60.5-172.300000116.8M152 E156M152-G154 VanDerWaalsContact C-N 3.33Å; M152-G154 PolarHBondContact O-N 3.28Å; G154-E156 VanDerWaalsContact C-N 3.34Å; G154-E156 PolarHBondContact O-N 3.29Å
155M55.8Low53.2Low169 Ų169144.7 Ų144.783%0.83375%0.752SS**  trans-94.654.1-178.9-74.3-176.887.200112.8
156E54.3Low52.5Low197 Ų197143.9 Ų143.992%0.92176%0.755SS**  trans-105.175.3169.6-148.6154.1-154.800109.2G154G154-E156 VanDerWaalsContact C-N 3.34Å; G154-E156 PolarHBondContact O-N 3.29Å
157G54.5Low51.7Low65 Ų65138 Ų13867%0.6775%0.754SS**SBendtrans-158.8120.3178.900000110.6K159G157-K159 PolarHBondContact O-N 2.95Å
158R53.7Low50.7Low236 Ų236138.9 Ų138.989%0.89176%0.76SS**  trans-45.7109.5179.5-177.5-179.9-177.9177.71.7111.1K160R158-K160 PolarHBondContact O-N 3.01Å
159K58.8Low49.8Very low168 Ų168139.3 Ų139.373%0.7376%0.761SS**  trans-6697.1173.7-149.8170.1-173.61740108.5G157 M161G157-K159 PolarHBondContact O-N 2.95Å; K159-M161 PolarHBondContact O-N 3.18Å
160K51Low48.9Very low180 Ų180146.6 Ų146.678%0.78379%0.788SS**  trans-67.8107.6170.7-83.1-175.4176.3179.30108.1R158R158-K160 PolarHBondContact O-N 3.01Å
161M47.1Very low48.4Very low161 Ų161146.6 Ų146.679%0.79379%0.793SS**  trans-90.9103.8164.4-64-70.8-76.500107.5K159K159-M161 PolarHBondContact O-N 3.18Å
162F41.3Very low47.8Very low178 Ų178150 Ų15078%0.78180%0.799SS**  trans-135.6116.4159.3-87.4-84.9000105.9
163D40.8Very low47.5Very low154 Ų154149.6 Ų149.682%0.82480%0.801SS**  -173.5139.9103.3-97.6-24.4000114.2
164A41.9Very low47Very low88 Ų88152.7 Ų152.773%0.72781%0.808SS**  trans57.7103.4143.400000120.2
165A44.3Very low46.3Very low98 Ų98157.9 Ų157.981%0.8181%0.814SS**  trans-47.9137.1146.900000112.7
166K43.3Very low45.7Very low208 Ų208157.2 Ų157.290%0.90481%0.813SS**  trans-117.1102.4140.5-69.3-176.9177.4-179.20103.9
167G38.8Very low45.1Very low67 Ų67154.4 Ų154.469%0.69181%0.805SS**  69.275.87800000108.8
168Q38.1Very low44.4Very low169 Ų169161.2 Ų161.279%0.7982%0.815SS**  83.7124.9100-95-165-26.100115.2
169I40.2Very low43.6Very low133 Ų133155 Ų15568%0.68281%0.809SS**  trans61.1121136.3-52.4165000114.8
170Q37.7Very low42.2Very low256 Ų256153.8 Ų153.8100%1.19682%0.816SS**  cis-163.4046.5-160.7159.7-18.900109.1

Retrieved 170 of 170 residues in 148.6 ms (Link to these results)