A0A3Q0KNH3_SCHMA Loading...

Putative gtp-binding protein alpha subunit

AlphaFold DB , UniProt , Accession A0A3Q0KNH3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 701 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
1M59Low74.1Confident188 Ų188137.9 Ų137.993%0.92664%0.635SS**  0-79.70-149.3161-176.100112.8K3 E4 L5M1-K3 PolarHBondContact O-N 3.2Å; M1-E4 WeakPolarHBondContact O-CA 3.45Å; M1-E4 WeakPolarHBondContact O-CB 3.38Å; M1-E4 PolarHBondContact O-N 3.3Å; M1-L5 HydrophobicContact CG-CD1 4.03Å; M1-L5 PolarHBondContact O-N 3.48Å; M1-L5 VanDerWaalsContact O-N 3.12Å
2N69.4Low74.9Confident125 Ų125140.4 Ų140.467%0.66864%0.637SS**Hα-helixtrans-52.7-46-170.6-67.45.3000115.5E4 L5 T6N2-E4 PolarHBondContact O-N 2.91Å; N2-E4 VanDerWaalsContact O-N 3.13Å; N2-L5 PolarHBondContact O-N 2.72Å; N2-T6 PolarHBondContact O-N 3.09Å; N2-T6 PolarHBondContact O-OG1 2.98Å
3K71.1Confident75.3Confident163 Ų163138.7 Ų138.771%0.70963%0.63SS**Hα-helixtrans-62.9-17.1177.8-168.5170.4-177174.30114.2M1 T6 R7M1-K3 PolarHBondContact O-N 3.2Å; K3-T6 WeakPolarHBondContact CA-OG1 3.29Å; K3-T6 PolarHBondContact O-OG1 2.98Å; K3-R7 WeakPolarHBondContact O-CG 3.44Å
4E72.4Confident75.9Confident105 Ų105132.8 Ų132.849%0.49161%0.613SS.*Hα-helixtrans-94.6-36.5175.7-161-169.113900111.7M1 N2 T6 R7 K8M1-E4 WeakPolarHBondContact O-CA 3.45Å; M1-E4 WeakPolarHBondContact O-CB 3.38Å; M1-E4 PolarHBondContact O-N 3.3Å; N2-E4 PolarHBondContact O-N 2.91Å; N2-E4 VanDerWaalsContact O-N 3.13Å; E4-T6 VanDerWaalsContact C-N 3.31Å; E4-T6 PolarHBondContact O-N 2.9Å; E4-R7 PolarHBondContact O-N 3.09Å; E4-K8 WeakPolarHBondContact O-CG 3.42Å; E4-K8 PolarHBondContact O-N 3.48Å; E4-K8 WeakPolarHBondContact OE1-CE 3.35Å; E4-K8 IonicContact OE1-NZ 3.84Å; E4-K8 PolarHBondContact OE1-NZ 3.03Å
5L71.5Confident76.7Confident89 Ų89132.6 Ų132.647%0.46661%0.612SS.*Hα-helixtrans-60.6-40.2170-73.9164.2000111.4M1 N2 K8 R9M1-L5 HydrophobicContact CG-CD1 4.03Å; M1-L5 PolarHBondContact O-N 3.48Å; M1-L5 VanDerWaalsContact O-N 3.12Å; N2-L5 PolarHBondContact O-N 2.72Å; L5-K8 PolarHBondContact O-N 3.06Å; L5-R9 WeakPolarHBondContact O-CB 3.47Å; L5-R9 WeakPolarHBondContact O-CG 3.26Å; L5-R9 PolarHBondContact O-N 2.87Å
6T76.4Confident77.4Confident86 Ų86133 Ų13353%0.52861%0.612SS.*Hα-helixtrans-67.7-40.1173.454.20000112.4N2 K3 E4 R9 S10N2-T6 PolarHBondContact O-N 3.09Å; N2-T6 PolarHBondContact O-OG1 2.98Å; K3-T6 WeakPolarHBondContact CA-OG1 3.29Å; K3-T6 PolarHBondContact O-OG1 2.98Å; E4-T6 VanDerWaalsContact C-N 3.31Å; E4-T6 PolarHBondContact O-N 2.9Å; T6-R9 PolarHBondContact O-N 3.4Å; T6-S10 VanDerWaalsContact O-CB 3.28Å; T6-S10 WeakPolarHBondContact O-CB 3.5Å; T6-S10 PolarHBondContact O-N 3.32Å
7R79Confident77.9Confident164 Ų164129.4 Ų129.462%0.61960%0.598SS**Hα-helixtrans-61-42.1172.1-80.9174.4166.4-176.5-6112.6K3 E4 S10 R11K3-R7 WeakPolarHBondContact O-CG 3.44Å; E4-R7 PolarHBondContact O-N 3.09Å; R7-S10 PolarHBondContact O-N 3.24Å; R7-R11 WeakPolarHBondContact O-CG 3.47Å; R7-R11 PolarHBondContact O-N 2.72Å
8K78.8Confident78.5Confident125 Ų125126.5 Ų126.554%0.54359%0.587SS.*Hα-helixtrans-66.5-42.7176.5-72.8176.4-175.8170.90111.6E4 L5 Y12E4-K8 WeakPolarHBondContact O-CG 3.42Å; E4-K8 PolarHBondContact O-N 3.48Å; E4-K8 WeakPolarHBondContact OE1-CE 3.35Å; E4-K8 IonicContact OE1-NZ 3.84Å; E4-K8 PolarHBondContact OE1-NZ 3.03Å; L5-K8 PolarHBondContact O-N 3.06Å; K8-Y12 WeakPolarHBondContact O-CB 3.36Å; K8-Y12 PolarHBondContact O-N 3.22Å
9R77.5Confident79Confident196 Ų196126.4 Ų126.474%0.7459%0.585SS**Hα-helixtrans-61.7-42.9171.9-76.1-178177.1-177.8-0.8112.8L5 T6 Y12 H13L5-R9 WeakPolarHBondContact O-CB 3.47Å; L5-R9 WeakPolarHBondContact O-CG 3.26Å; L5-R9 PolarHBondContact O-N 2.87Å; T6-R9 PolarHBondContact O-N 3.4Å; R9-Y12 PolarHBondContact O-N 2.88Å; R9-H13 WeakPolarHBondContact O-CB 3.47Å; R9-H13 PolarHBondContact O-N 3Å
10S78.2Confident79.4Confident80 Ų80125.8 Ų125.856%0.55958%0.581SS**Hα-helixtrans-63.4-45.5177.7164.90000112.1T6 R7 H13 S14T6-S10 VanDerWaalsContact O-CB 3.28Å; T6-S10 WeakPolarHBondContact O-CB 3.5Å; T6-S10 PolarHBondContact O-N 3.32Å; R7-S10 PolarHBondContact O-N 3.24Å; S10-H13 PolarHBondContact O-N 3.24Å; S10-S14 PolarHBondContact O-N 2.87Å
11R82Confident79.6Confident196 Ų196124 Ų12474%0.7458%0.575SS**Hα-helixtrans-61.6-43.6173.8-74.6179.5175.5-178-3.8112.6R7 H13 S14 H15R7-R11 WeakPolarHBondContact O-CG 3.47Å; R7-R11 PolarHBondContact O-N 2.72Å; R11-H13 VanDerWaalsContact C-N 3.32Å; R11-H13 PolarHBondContact O-N 3.09Å; R11-S14 PolarHBondContact O-N 3.29Å; R11-H15 WeakPolarHBondContact O-CB 3.48Å; R11-H15 PolarHBondContact O-N 2.84Å
12Y83.1Confident80.9Confident168 Ų168120.2 Ų120.266%0.65956%0.558SS**Hα-helixtrans-64-37175.5179.8-98000112.3K8 R9 K16K8-Y12 WeakPolarHBondContact O-CB 3.36Å; K8-Y12 PolarHBondContact O-N 3.22Å; R9-Y12 PolarHBondContact O-N 2.88Å; Y12-K16 WeakPolarHBondContact O-CB 3.24Å; Y12-K16 PolarHBondContact O-N 3.33Å
13H80.9Confident81.5Confident118 Ų118119.9 Ų119.955%0.54655%0.552SS.*Hα-helixtrans-68.6-45.8176.7-171.825.6000112R9 S10 R11 K16 I17R9-H13 WeakPolarHBondContact O-CB 3.47Å; R9-H13 PolarHBondContact O-N 3Å; S10-H13 PolarHBondContact O-N 3.24Å; R11-H13 VanDerWaalsContact C-N 3.32Å; R11-H13 PolarHBondContact O-N 3.09Å; H13-K16 PolarHBondContact O-N 3.38Å; H13-I17 WeakPolarHBondContact O-CG1 3.38Å; H13-I17 PolarHBondContact O-N 3.41Å
14S83.8Confident81.9Confident56 Ų56115.3 Ų115.339%0.39253%0.534SS..Hα-helixtrans-54.8-59171.7-167.50000109.8S10 R11 K16 I17 D18S10-S14 PolarHBondContact O-N 2.87Å; R11-S14 PolarHBondContact O-N 3.29Å; S14-K16 PolarHBondContact O-N 3.03Å; S14-I17 CarbonylContact O-C 3.5Å; S14-I17 WeakPolarHBondContact O-CA 3.37Å; S14-I17 WeakPolarHBondContact O-CB 3.21Å; S14-I17 PolarHBondContact O-N 3.32Å; S14-D18 PolarHBondContact O-N 3.33Å; S14-D18 PolarHBondContact OG-OD2 3.01Å; S14-D18 VanDerWaalsContact OG-OD2 3.06Å
15H87.7Confident82.2Confident130 Ų130117 Ų11760%0.60254%0.536SS*.Hα-helixtrans-59.3-27.9-176.9-171.559000113.7R11 D18 K19R11-H15 WeakPolarHBondContact O-CB 3.48Å; R11-H15 PolarHBondContact O-N 2.84Å; H15-D18 WeakPolarHBondContact CA-OD2 3.49Å; H15-D18 PolarHBondContact N-OD2 3.2Å; H15-K19 VanDerWaalsContact O-CB 3.27Å; H15-K19 WeakPolarHBondContact O-CB 3.18Å; H15-K19 PolarHBondContact O-N 2.94Å
16K87.3Confident82.4Confident139 Ų139117.1 Ų117.160%0.60454%0.535SS*.Hα-helixtrans-72.9-38.5170.6-174.1177.4177.9-175.20112.7Y12 H13 S14 F20Y12-K16 WeakPolarHBondContact O-CB 3.24Å; Y12-K16 PolarHBondContact O-N 3.33Å; H13-K16 PolarHBondContact O-N 3.38Å; S14-K16 PolarHBondContact O-N 3.03Å; K16-F20 WeakPolarHBondContact O-CB 3.21Å; K16-F20 PolarHBondContact O-N 2.98Å; K16-F20 VanDerWaalsContact O-N 3.09Å
17I86.3Confident82.3Confident72 Ų72117.9 Ų117.937%0.36953%0.532SS..Hα-helixtrans-65.4-50.5171.9-67161.9000109.4H13 S14 K19 F20 L21H13-I17 WeakPolarHBondContact O-CG1 3.38Å; H13-I17 PolarHBondContact O-N 3.41Å; S14-I17 CarbonylContact O-C 3.5Å; S14-I17 WeakPolarHBondContact O-CA 3.37Å; S14-I17 WeakPolarHBondContact O-CB 3.21Å; S14-I17 PolarHBondContact O-N 3.32Å; I17-K19 VanDerWaalsContact C-N 3.31Å; I17-K19 PolarHBondContact O-N 2.92Å; I17-F20 CarbonylContact O-C 3.54Å; I17-F20 WeakPolarHBondContact O-CA 3.16Å; I17-F20 WeakPolarHBondContact O-CB 3.42Å; I17-F20 PolarHBondContact O-N 3.17Å; I17-L21 HydrophobicContact CG2-CD1 3.76Å; I17-L21 HydrophobicContact CG2-CG 4.09Å; I17-L21 WeakPolarHBondContact O-CG 3.22Å; I17-L21 PolarHBondContact O-N 3.12Å
18D88.9Confident81.8Confident77 Ų77116.3 Ų116.341%0.41253%0.526SS..Hα-helixtrans-56.4-44.8-179.1-50.9-34000110.9S14 H15 L22S14-D18 PolarHBondContact O-N 3.33Å; S14-D18 PolarHBondContact OG-OD2 3.01Å; S14-D18 VanDerWaalsContact OG-OD2 3.06Å; H15-D18 WeakPolarHBondContact CA-OD2 3.49Å; H15-D18 PolarHBondContact N-OD2 3.2Å; D18-L22 WeakPolarHBondContact O-CB 3.41Å; D18-L22 PolarHBondContact O-N 2.88Å
19K88.5Confident81.4Confident124 Ų124117.7 Ų117.754%0.53953%0.532SS..Hα-helixtrans-64.5-39.3173.5-179.4169.6-179.7170.60113.1H15 I17 Q23H15-K19 VanDerWaalsContact O-CB 3.27Å; H15-K19 WeakPolarHBondContact O-CB 3.18Å; H15-K19 PolarHBondContact O-N 2.94Å; I17-K19 VanDerWaalsContact C-N 3.31Å; I17-K19 PolarHBondContact O-N 2.92Å; K19-Q23 VanDerWaalsContact O-CG 3.3Å; K19-Q23 WeakPolarHBondContact O-CG 3.22Å; K19-Q23 PolarHBondContact O-N 3.28Å
20F85.8Confident81.3Confident115 Ų115113.9 Ų113.950%0.50452%0.521SS..Hα-helixtrans-68.5-42.6178.3179.6-98.8000111.6K16 I17 L22 Q23 E24K16-F20 WeakPolarHBondContact O-CB 3.21Å; K16-F20 PolarHBondContact O-N 2.98Å; K16-F20 VanDerWaalsContact O-N 3.09Å; I17-F20 CarbonylContact O-C 3.54Å; I17-F20 WeakPolarHBondContact O-CA 3.16Å; I17-F20 WeakPolarHBondContact O-CB 3.42Å; I17-F20 PolarHBondContact O-N 3.17Å; F20-L22 VanDerWaalsContact C-N 3.34Å; F20-L22 PolarHBondContact O-N 3.07Å; F20-Q23 PolarHBondContact O-N 2.9Å; F20-Q23 VanDerWaalsContact O-N 3.16Å; F20-E24 HydrophobicContact CD1-CG 4.26Å; F20-E24 VanDerWaalsContact CE1-CD 3.45Å; F20-E24 HydrophobicContact CE1-CG 3.79Å; F20-E24 WeakPolarHBondContact CE1-OE1 3.39Å; F20-E24 HydrophobicContact CE2-CG 4.47Å; F20-E24 HydrophobicContact CZ-CG 3.9Å; F20-E24 VanDerWaalsContact CZ-OE1 3.29Å; F20-E24 WeakPolarHBondContact CZ-OE1 3.22Å; F20-E24 PolarHBondContact O-N 3.33Å
21L84.9Confident81.6Confident89 Ų89110.9 Ų110.947%0.46650%0.498SS..Hα-helixtrans-60.2-42.2174.2-70.2173.7000111.8I17 E24 Y25I17-L21 HydrophobicContact CG2-CD1 3.76Å; I17-L21 HydrophobicContact CG2-CG 4.09Å; I17-L21 WeakPolarHBondContact O-CG 3.22Å; I17-L21 PolarHBondContact O-N 3.12Å; L21-E24 PolarHBondContact O-N 3.4Å; L21-Y25 WeakPolarHBondContact O-CB 3.39Å; L21-Y25 PolarHBondContact O-N 3.3Å
22L85.3Confident81.8Confident107 Ų107102.4 Ų102.456%0.5647%0.467SS*.Hα-helixtrans-63.8-39.6174.4-173.565.3000111.8D18 F20 Y25 E26D18-L22 WeakPolarHBondContact O-CB 3.41Å; D18-L22 PolarHBondContact O-N 2.88Å; F20-L22 VanDerWaalsContact C-N 3.34Å; F20-L22 PolarHBondContact O-N 3.07Å; L22-Y25 PolarHBondContact O-N 3.5Å; L22-E26 WeakPolarHBondContact O-CG 3.13Å; L22-E26 PolarHBondContact O-N 3.47Å
23Q81.5Confident82Confident118 Ų11895.8 Ų95.855%0.55144%0.442SS*.Hα-helixtrans-67.1-39.5175.6-72.8179.7-58.400112.6K19 F20 Y25 H27K19-Q23 VanDerWaalsContact O-CG 3.3Å; K19-Q23 WeakPolarHBondContact O-CG 3.22Å; K19-Q23 PolarHBondContact O-N 3.28Å; F20-Q23 PolarHBondContact O-N 2.9Å; F20-Q23 VanDerWaalsContact O-N 3.16Å; Q23-Y25 VanDerWaalsContact C-N 3.34Å; Q23-H27 WeakPolarHBondContact O-CB 3.41Å; Q23-H27 PolarHBondContact O-N 2.83Å
24E80.1Confident82.4Confident68 Ų6890.5 Ų90.532%0.31842%0.418SS..Hα-helixtrans-70.3-28.1171.6-67.4-166.5154.500112.9F20 L21 R28F20-E24 HydrophobicContact CD1-CG 4.26Å; F20-E24 VanDerWaalsContact CE1-CD 3.45Å; F20-E24 HydrophobicContact CE1-CG 3.79Å; F20-E24 WeakPolarHBondContact CE1-OE1 3.39Å; F20-E24 HydrophobicContact CE2-CG 4.47Å; F20-E24 HydrophobicContact CZ-CG 3.9Å; F20-E24 VanDerWaalsContact CZ-OE1 3.29Å; F20-E24 WeakPolarHBondContact CZ-OE1 3.22Å; F20-E24 PolarHBondContact O-N 3.33Å; L21-E24 PolarHBondContact O-N 3.4Å; E24-R28 VanDerWaalsContact O-CB 3.3Å; E24-R28 WeakPolarHBondContact O-CB 3.46Å; E24-R28 WeakPolarHBondContact O-CG 3.43Å; E24-R28 PolarHBondContact O-N 2.84Å; E24-R28 PolarHBondContact O-NE 2.94Å; E24-R28 IonicContact OE2-CZ 3.69Å; E24-R28 IonicContact OE2-NH1 2.78Å; E24-R28 PolarHBondContact OE2-NH1 3.35Å; E24-R28 IonicContact OE2-NH2 2.72Å; E24-R28 PolarHBondContact OE2-NH2 3.36Å
25Y77.9Confident82.7Confident140 Ų14087.9 Ų87.955%0.54940%0.399SS..Hα-helixtrans-69.1-49.4175.1179.5-95.2000110.9L21 L22 Q23 H27 R28 K29L21-Y25 WeakPolarHBondContact O-CB 3.39Å; L21-Y25 PolarHBondContact O-N 3.3Å; L22-Y25 PolarHBondContact O-N 3.5Å; Q23-Y25 VanDerWaalsContact C-N 3.34Å; Y25-H27 VanDerWaalsContact C-N 3.27Å; Y25-H27 PolarHBondContact O-N 3.39Å; Y25-R28 PolarHBondContact O-N 3.3Å; Y25-R28 VanDerWaalsContact O-N 3.14Å; Y25-K29 PolarHBondContact O-N 2.85Å
26E75.8Confident82.8Confident91 Ų9181.7 Ų81.743%0.42537%0.371SS..Hα-helixtrans-59.5-35.5173.4-75.2-62.313000112.9L22L22-E26 WeakPolarHBondContact O-CG 3.13Å; L22-E26 PolarHBondContact O-N 3.47Å
27H74.1Confident82.8Confident103 Ų10375 Ų7548%0.47734%0.342SS..Hα-helixtrans-70.7-42.5173.5-168.6-60.9000111.9Q23 Y25 K30 E31 T601Q23-H27 WeakPolarHBondContact O-CB 3.41Å; Q23-H27 PolarHBondContact O-N 2.83Å; Y25-H27 VanDerWaalsContact C-N 3.27Å; Y25-H27 PolarHBondContact O-N 3.39Å; H27-K30 CarbonylContact O-C 3.57Å; H27-K30 PolarHBondContact O-N 3.47Å; H27-K30 VanDerWaalsContact O-N 3.13Å; H27-E31 PolarHBondContact O-N 3.2Å; H27-T601 PolarHBondContact CE1-OG1 3.43Å
28R70.3Confident82.9Confident131 Ų13171.6 Ų71.649%0.49432%0.324SS..Hα-helixtrans-66.8-32.6176.6-81179.9-77.7-128.3-1.3112.8E24 Y25 K30 E31E24-R28 VanDerWaalsContact O-CB 3.3Å; E24-R28 WeakPolarHBondContact O-CB 3.46Å; E24-R28 WeakPolarHBondContact O-CG 3.43Å; E24-R28 PolarHBondContact O-N 2.84Å; E24-R28 PolarHBondContact O-NE 2.94Å; E24-R28 IonicContact OE2-CZ 3.69Å; E24-R28 IonicContact OE2-NH1 2.78Å; E24-R28 PolarHBondContact OE2-NH1 3.35Å; E24-R28 IonicContact OE2-NH2 2.72Å; E24-R28 PolarHBondContact OE2-NH2 3.36Å; Y25-R28 PolarHBondContact O-N 3.3Å; Y25-R28 VanDerWaalsContact O-N 3.14Å; R28-K30 PolarHBondContact O-N 2.86Å; R28-E31 PolarHBondContact O-N 3.21Å; R28-E31 VanDerWaalsContact O-N 3.08Å
29K69.7Low82.7Confident154 Ų15469 Ų6967%0.6731%0.31SS*.THydrogen-bonded Turntrans-65.6-14.9172.7-168.5171.4-179.8-179.50113Y25Y25-K29 PolarHBondContact O-N 2.85Å
30K75.4Confident82.2Confident116 Ų11665.2 Ų65.250%0.50430%0.298SS..THydrogen-bonded Turntrans-110.211.5175.1-61.8175.4-173.8174.80112.7H27 R28 T601H27-K30 CarbonylContact O-C 3.57Å; H27-K30 PolarHBondContact O-N 3.47Å; H27-K30 VanDerWaalsContact O-N 3.13Å; R28-K30 PolarHBondContact O-N 2.86Å; K30-T601 PolarHBondContact O-N 3.48Å; K30-T601 PolarHBondContact O-OG1 2.94Å
31E84Confident81.7Confident16 Ų1665.1 Ų65.18%0.07530%0.303CS..EExtended strand (participates in β ladder)trans-103.7112.3179-167.2-170.1101.900109.7H27 R28 Q33 T601 R603H27-E31 PolarHBondContact O-N 3.2Å; R28-E31 PolarHBondContact O-N 3.21Å; R28-E31 VanDerWaalsContact O-N 3.08Å; E31-Q33 PolarHBondContact OE1-NE2 3.27Å; E31-T601 CarbonylContact C-O 3.57Å; E31-T601 WeakPolarHBondContact CA-O 3.36Å; E31-R603 VanDerWaalsContact CD-NH2 3.25Å; E31-R603 HydrophobicContact CG-CB 4.28Å; E31-R603 IonicContact OE1-CZ 2.98Å; E31-R603 VanDerWaalsContact OE1-CZ 3.31Å; E31-R603 IonicContact OE1-NE 2.85Å; E31-R603 PolarHBondContact OE1-NE 3.49Å; E31-R603 IonicContact OE1-NH2 3.35Å; E31-R603 PolarHBondContact OE1-NH2 3.25Å; E31-R603 IonicContact OE2-CZ 3.16Å; E31-R603 IonicContact OE2-NE 2.71Å; E31-R603 IonicContact OE2-NH2 2.67Å; E31-R603 PolarHBondContact OE2-NH2 3.32Å
32I85.5Confident81.5Confident18 Ų1861 Ų619%0.09228%0.282CS..EExtended strand (participates in β ladder)trans-96.5115.7179.1-60.8-177.7000108.4L34 I369 I600 T601 L602 R603 N625I32-L34 HydrophobicContact CG2-CD2 4.03Å; I32-I369 HydrophobicContact CD1-CG2 3.45Å; I32-I369 VanDerWaalsContact CD1-CG2 3.45Å; I32-I600 HydrophobicContact CB-CG2 4.45Å; I32-I600 HydrophobicContact CD1-CD1 4.25Å; I32-I600 HydrophobicContact CD1-CG2 3.82Å; I32-I600 HydrophobicContact CG1-CG2 3.98Å; I32-T601 PolarHBondContact N-O 3.44Å; I32-L602 HydrophobicContact CB-CD1 4.05Å; I32-L602 HydrophobicContact CG2-CD1 4.02Å; I32-L602 WeakPolarHBondContact O-CA 3.36Å; I32-R603 PolarHBondContact O-N 3.39Å; I32-N625 HydrophobicContact CG2-CB 4.4Å
33Q88.2Confident81.2Confident30 Ų3056.1 Ų56.114%0.1426%0.257CS..EExtended strand (participates in β ladder)trans-96114.3-177.6-59.6-158.2-2.600111.4E31 R603 S623 V624 N625 M626E31-Q33 PolarHBondContact OE1-NE2 3.27Å; Q33-R603 CarbonylContact C-O 3.52Å; Q33-R603 WeakPolarHBondContact CA-O 3.48Å; Q33-R603 HydrophobicContact CG-CB 4.16Å; Q33-S623 VanDerWaalsContact OE1-CB 3.28Å; Q33-S623 PolarHBondContact OE1-O 3.34Å; Q33-S623 PolarHBondContact OE1-OG 2.89Å; Q33-V624 HydrophobicContact CB-CB 4.46Å; Q33-V624 HydrophobicContact CB-CG1 4.31Å; Q33-N625 WeakPolarHBondContact CB-OD1 3.27Å; Q33-N625 PolarHBondContact N-OD1 3.32Å; Q33-N625 PolarHBondContact O-N 2.9Å; Q33-M626 PolarHBondContact O-N 2.91Å
34L89Confident81.4Confident7 Ų750.9 Ų50.94%0.03723%0.233CC..EExtended strand (participates in β ladder)trans-103.9125.9176.7-56.2-170.9000111.5I32 L36 L602 R603 T604 I605 M626I32-L34 HydrophobicContact CG2-CD2 4.03Å; L34-L36 HydrophobicContact CB-CD2 4.2Å; L34-L602 HydrophobicContact CD1-CD1 3.82Å; L34-L602 HydrophobicContact CD1-CD2 4.1Å; L34-L602 HydrophobicContact CD1-CG 4.22Å; L34-L602 HydrophobicContact CD2-CD1 4.41Å; L34-L602 HydrophobicContact CG-CD1 3.8Å; L34-L602 HydrophobicContact CG-CG 4.38Å; L34-R603 PolarHBondContact N-O 3Å; L34-T604 HydrophobicContact CB-CG2 4.44Å; L34-T604 HydrophobicContact CD1-CG2 4.44Å; L34-I605 PolarHBondContact O-N 3.39Å; L34-M626 WeakPolarHBondContact CA-O 3.45Å; L34-M626 HydrophobicContact CD2-CB 3.83Å; L34-M626 HydrophobicContact CD2-CE 3.98Å; L34-M626 HydrophobicContact CD2-SD 4.06Å
35L90.1Very high81.6Confident0 Ų049.5 Ų49.50%023%0.228CC..EExtended strand (participates in β ladder)trans-93118.1172.7-168.257.2000111I37 I605 L607 F621 V624 M626 I627 L628 L665L35-I37 HydrophobicContact CD2-CD1 3.87Å; L35-I37 HydrophobicContact CD2-CG1 4.28Å; L35-I37 HydrophobicContact CG-CD1 4.1Å; L35-I37 HydrophobicContact CG-CG1 3.95Å; L35-I605 HydrophobicContact CD1-CB 4.06Å; L35-I605 HydrophobicContact CD1-CG2 3.73Å; L35-L607 HydrophobicContact CD1-CD1 4.14Å; L35-L607 HydrophobicContact CD1-CD2 3.99Å; L35-L607 HydrophobicContact CD1-CG 3.92Å; L35-F621 HydrophobicContact CD2-CD1 3.59Å; L35-F621 HydrophobicContact CD2-CE1 3.88Å; L35-V624 HydrophobicContact CB-CB 4.15Å; L35-V624 HydrophobicContact CB-CG1 3.77Å; L35-V624 HydrophobicContact CB-CG2 4.15Å; L35-V624 HydrophobicContact CD1-CG1 4.38Å; L35-V624 HydrophobicContact CD2-CG2 4.19Å; L35-V624 HydrophobicContact CG-CG1 4.46Å; L35-M626 PolarHBondContact N-O 2.87Å; L35-I627 HydrophobicContact CB-CG1 4.33Å; L35-L628 PolarHBondContact O-N 2.94Å; L35-L665 HydrophobicContact CD2-CD2 3.83Å
36L89.3Confident81.8Confident0 Ų044 Ų440%021%0.209CC..EExtended strand (participates in β ladder)trans-95.7110.3-179-42.9-172.6000110.6L34 K44 F47 C48 I605 N606 L628 F630L34-L36 HydrophobicContact CB-CD2 4.2Å; L36-K44 HydrophobicContact CB-CD 4.23Å; L36-F47 HydrophobicContact CD1-CD1 3.99Å; L36-F47 HydrophobicContact CD1-CE1 4.39Å; L36-F47 HydrophobicContact CD2-CD1 4.4Å; L36-F47 HydrophobicContact CD2-CE1 4.17Å; L36-C48 WeakPolarHBondContact CD1-SG 3.17Å; L36-I605 PolarHBondContact N-O 2.92Å; L36-N606 HydrophobicContact CD1-CB 4.14Å; L36-L628 WeakPolarHBondContact CA-O 3.45Å; L36-L628 HydrophobicContact CD2-CB 3.93Å; L36-L628 HydrophobicContact CD2-CD2 4.2Å; L36-F630 HydrophobicContact CB-CE2 4.34Å; L36-F630 HydrophobicContact CD2-CE2 4.3Å
37I88.8Confident82.1Confident0 Ų040.2 Ų40.20%019%0.191CC..EExtended strand (participates in β ladder)trans-115158.8-177.6-48.8-176.7000110.3L35 L607 L614 I627 L628 F629 F630 L655 V659 L665L35-I37 HydrophobicContact CD2-CD1 3.87Å; L35-I37 HydrophobicContact CD2-CG1 4.28Å; L35-I37 HydrophobicContact CG-CD1 4.1Å; L35-I37 HydrophobicContact CG-CG1 3.95Å; I37-L607 HydrophobicContact CG1-CD1 4.33Å; I37-L614 HydrophobicContact CD1-CD2 4.36Å; I37-L614 HydrophobicContact CG2-CD2 4.24Å; I37-I627 HydrophobicContact CD1-CG2 3.65Å; I37-I627 HydrophobicContact CG1-CG2 4.01Å; I37-L628 PolarHBondContact N-O 3.25Å; I37-F629 HydrophobicContact CB-CD2 3.83Å; I37-F629 HydrophobicContact CB-CE2 4.27Å; I37-F629 HydrophobicContact CG2-CD2 3.77Å; I37-F629 HydrophobicContact CG2-CE2 3.69Å; I37-F630 PolarHBondContact O-N 3.44Å; I37-L655 HydrophobicContact CG2-CD1 4.43Å; I37-L655 HydrophobicContact CG2-CD2 4.33Å; I37-L655 HydrophobicContact CG2-CG 4.36Å; I37-V659 HydrophobicContact CD1-CG2 3.87Å; I37-V659 HydrophobicContact CG2-CG2 3.97Å; I37-L665 HydrophobicContact CD1-CD1 4.25Å
38G87.3Confident82.6Confident0 Ų036.3 Ų36.30%018%0.175CC..EExtended strand (participates in β ladder)trans137.8169.4-178.800000111.5K44 S611 L655G38-K44 PolarHBondContact O-NZ 3.5Å; G38-S611 VanDerWaalsContact O-CB 3.31Å; G38-S611 WeakPolarHBondContact O-CB 3.35Å; G38-S611 PolarHBondContact O-OG 2.8Å; G38-L655 VanDerWaalsContact C-CD2 3.48Å
39L85.5Confident83.3Confident22 Ų2231.2 Ų31.212%0.11516%0.156CC..  trans-65.7169.7178.9-68.6-172.5000113.5S42 K44 E612 P651 S652 L655L39-S42 WeakPolarHBondContact O-CB 3.19Å; L39-S42 PolarHBondContact O-N 2.93Å; L39-S42 PolarHBondContact O-OG 2.89Å; L39-K44 PolarHBondContact O-NZ 3.17Å; L39-E612 HydrophobicContact CD2-CG 4.21Å; L39-P651 HydrophobicContact CD1-CB 4.06Å; L39-P651 HydrophobicContact CD2-CB 4.31Å; L39-S652 VanDerWaalsContact CD1-OG 3.3Å; L39-S652 WeakPolarHBondContact CD1-OG 3.48Å; L39-L655 HydrophobicContact CD2-CD2 4.03Å
40P78.1Confident83.9Confident44 Ų4426.7 Ų26.729%0.28614%0.137SC..THydrogen-bonded Turntrans-48.7149.7158.5-27.436.1000111.7S42 E609 E612P40-S42 PolarHBondContact O-N 3.47Å; P40-E609 HydrophobicContact CG-CG 4.44Å; P40-E612 WeakPolarHBondContact CD-OE1 3.46Å; P40-E612 WeakPolarHBondContact CG-OE1 3.4Å
41N74.8Confident84.1Confident113 Ų11322.3 Ų22.360%0.60412%0.119SC*.THydrogen-bonded Turntrans58.8-6-175.2-58.8-46.2000117.8G43N41-G43 PolarHBondContact O-N 3.42Å
42S80.9Confident84.2Confident2 Ų224.6 Ų24.61%0.01413%0.127CC..SBendtrans-64.57.9-172.277.90000117.6L39 P40 F630 P675L39-S42 WeakPolarHBondContact O-CB 3.19Å; L39-S42 PolarHBondContact O-N 2.93Å; L39-S42 PolarHBondContact O-OG 2.89Å; P40-S42 PolarHBondContact O-N 3.47Å; S42-F630 WeakPolarHBondContact CB-O 3.4Å; S42-F630 WeakPolarHBondContact O-CB 3.31Å; S42-F630 VanDerWaalsContact OG-CB 3.3Å; S42-F630 WeakPolarHBondContact OG-CB 3.47Å; S42-F630 PolarHBondContact OG-O 3.14Å; S42-P675 WeakPolarHBondContact O-CG 3.25Å
43G79.3Confident84.1Confident5 Ų526.2 Ų26.25%0.05214%0.136CC..SBendtrans102.5-16.6178.700000115.4N41 N45 T46 F47N41-G43 PolarHBondContact O-N 3.42Å; G43-N45 VanDerWaalsContact C-N 3.32Å; G43-N45 PolarHBondContact O-N 3.18Å; G43-N45 VanDerWaalsContact O-N 3.15Å; G43-T46 WeakPolarHBondContact O-CA 3.39Å; G43-T46 WeakPolarHBondContact O-CB 3.5Å; G43-T46 PolarHBondContact O-N 3.37Å; G43-F47 PolarHBondContact O-N 3.42Å
44K84.6Confident83.7Confident9 Ų931 Ų314%0.03916%0.158CC..Hα-helixtrans-45.1-50.9-178.9-57.7-167.6-60.4-81.70113.8L36 G38 L39 T46 F47 C48 G608 F630L36-K44 HydrophobicContact CB-CD 4.23Å; G38-K44 PolarHBondContact O-NZ 3.5Å; L39-K44 PolarHBondContact O-NZ 3.17Å; K44-T46 VanDerWaalsContact C-N 3.32Å; K44-T46 PolarHBondContact O-N 2.9Å; K44-F47 PolarHBondContact O-N 3.23Å; K44-C48 PolarHBondContact O-N 2.75Å; K44-C48 PolarHBondContact O-SG 3.38Å; K44-C48 VanDerWaalsContact O-SG 3.41Å; K44-G608 VanDerWaalsContact CE-O 3.25Å; K44-G608 WeakPolarHBondContact CE-O 3.27Å; K44-G608 PolarHBondContact NZ-O 3.09Å; K44-F630 HydrophobicContact CB-CD2 4.47Å; K44-F630 HydrophobicContact CG-CB 4Å; K44-F630 HydrophobicContact CG-CD2 3.71Å; K44-F630 HydrophobicContact CG-CE2 4.37Å; K44-F630 HydrophobicContact CG-CG 3.92Å
45N84.1Confident83.4Confident39 Ų3933.7 Ų33.721%0.20917%0.169CC..Hα-helixtrans-69.1-29-179.3-79.9-0.5000112.5G43 K49 Q585 S587 N606G43-N45 VanDerWaalsContact C-N 3.32Å; G43-N45 PolarHBondContact O-N 3.18Å; G43-N45 VanDerWaalsContact O-N 3.15Å; N45-K49 WeakPolarHBondContact O-CD 3.43Å; N45-K49 WeakPolarHBondContact O-CG 3.37Å; N45-K49 PolarHBondContact O-N 2.99Å; N45-Q585 PolarHBondContact ND2-O 3.21Å; N45-S587 PolarHBondContact ND2-OG 3.47Å; N45-S587 PolarHBondContact OD1-OG 2.94Å; N45-S587 VanDerWaalsContact OD1-OG 3.08Å; N45-N606 PolarHBondContact OD1-ND2 2.89Å
46T82.3Confident83.1Confident25 Ų2535.6 Ų35.615%0.15319%0.189CC..Hα-helixtrans-71.4-44.4174.4-47.70000110.7G43 K44 C48 K49 Q50 F677G43-T46 WeakPolarHBondContact O-CA 3.39Å; G43-T46 WeakPolarHBondContact O-CB 3.5Å; G43-T46 PolarHBondContact O-N 3.37Å; K44-T46 VanDerWaalsContact C-N 3.32Å; K44-T46 PolarHBondContact O-N 2.9Å; T46-C48 PolarHBondContact O-N 2.94Å; T46-K49 CarbonylContact O-C 3.57Å; T46-K49 WeakPolarHBondContact O-CB 3.47Å; T46-K49 PolarHBondContact O-N 3.47Å; T46-K49 VanDerWaalsContact O-N 3.08Å; T46-Q50 WeakPolarHBondContact O-CG 3.33Å; T46-Q50 PolarHBondContact O-N 3.17Å; T46-Q50 PolarHBondContact O-OE1 3.42Å; T46-F677 HydrophobicContact CG2-CZ 4.05Å
47F83.4Confident82.8Confident10 Ų1040.2 Ų40.24%0.04421%0.213CC..Hα-helixtrans-56.8-48.9173.4174.8-99.9000112L36 G43 K44 K49 Q50 M51 L628 F630 I688L36-F47 HydrophobicContact CD1-CD1 3.99Å; L36-F47 HydrophobicContact CD1-CE1 4.39Å; L36-F47 HydrophobicContact CD2-CD1 4.4Å; L36-F47 HydrophobicContact CD2-CE1 4.17Å; G43-F47 PolarHBondContact O-N 3.42Å; K44-F47 PolarHBondContact O-N 3.23Å; F47-K49 VanDerWaalsContact C-N 3.26Å; F47-K49 PolarHBondContact O-N 3.3Å; F47-Q50 PolarHBondContact O-N 3.21Å; F47-Q50 VanDerWaalsContact O-N 3.12Å; F47-M51 HydrophobicContact CD1-CG 4.23Å; F47-M51 HydrophobicContact CD2-CG 4.22Å; F47-M51 HydrophobicContact CE1-CG 3.83Å; F47-M51 HydrophobicContact CE2-CG 3.81Å; F47-M51 HydrophobicContact CE2-SD 3.92Å; F47-M51 HydrophobicContact CG-CG 4.42Å; F47-M51 HydrophobicContact CZ-CG 3.6Å; F47-M51 HydrophobicContact CZ-SD 3.96Å; F47-M51 WeakPolarHBondContact O-CG 3.38Å; F47-M51 PolarHBondContact O-N 3.45Å; F47-L628 HydrophobicContact CD1-CD2 4.23Å; F47-L628 HydrophobicContact CD2-CD2 4.46Å; F47-L628 HydrophobicContact CE1-CD2 3.77Å; F47-L628 HydrophobicContact CE2-CD2 4.03Å; F47-L628 HydrophobicContact CZ-CD2 3.66Å; F47-F630 HydrophobicContact CB-CE1 3.81Å; F47-F630 HydrophobicContact CB-CZ 3.55Å; F47-F630 HydrophobicContact CD1-CE2 4.47Å; F47-F630 AromaticContact CD1-CZ 3.87Å; F47-F630 HydrophobicContact CD1-CZ 3.87Å; F47-F630 HydrophobicContact CD2-CZ 4.12Å; F47-F630 HydrophobicContact CG-CE1 4.22Å; F47-F630 AromaticContact CG-CZ 3.58Å; F47-F630 HydrophobicContact CG-CZ 3.58Å; F47-I688 HydrophobicContact CD2-CD1 3.93Å
48C84.4Confident82.6Confident21 Ų2140.9 Ų40.914%0.14222%0.22CC..Hα-helixtrans-55.5-40.2174.3-68.20000112.8L36 K44 T46 R52 N606L36-C48 WeakPolarHBondContact CD1-SG 3.17Å; K44-C48 PolarHBondContact O-N 2.75Å; K44-C48 PolarHBondContact O-SG 3.38Å; K44-C48 VanDerWaalsContact O-SG 3.41Å; T46-C48 PolarHBondContact O-N 2.94Å; C48-R52 WeakPolarHBondContact O-CB 3.31Å; C48-R52 PolarHBondContact O-N 3.33Å; C48-N606 PolarHBondContact SG-ND2 2.99Å; C48-N606 VanDerWaalsContact SG-ND2 3.42Å
49K84.7Confident82.7Confident24 Ų2441.3 Ų41.310%0.10422%0.222CC..Hα-helixtrans-69.7-38.3177.6-67162.6-174.8-174.50112.2N45 T46 F47 L53 F59 L580 L581 M583N45-K49 WeakPolarHBondContact O-CD 3.43Å; N45-K49 WeakPolarHBondContact O-CG 3.37Å; N45-K49 PolarHBondContact O-N 2.99Å; T46-K49 CarbonylContact O-C 3.57Å; T46-K49 WeakPolarHBondContact O-CB 3.47Å; T46-K49 PolarHBondContact O-N 3.47Å; T46-K49 VanDerWaalsContact O-N 3.08Å; F47-K49 VanDerWaalsContact C-N 3.26Å; F47-K49 PolarHBondContact O-N 3.3Å; K49-L53 VanDerWaalsContact O-CB 3.28Å; K49-L53 WeakPolarHBondContact O-CB 3.39Å; K49-L53 PolarHBondContact O-N 3.21Å; K49-F59 HydrophobicContact CB-CE2 4.4Å; K49-F59 HydrophobicContact CB-CZ 3.81Å; K49-F59 HydrophobicContact CG-CZ 4.05Å; K49-L580 WeakPolarHBondContact CD-O 3.18Å; K49-L580 WeakPolarHBondContact CE-O 3.24Å; K49-L580 PolarHBondContact NZ-O 3.16Å; K49-L581 HydrophobicContact CB-CD2 3.92Å; K49-L581 PolarHBondContact NZ-O 3.43Å; K49-M583 PolarHBondContact NZ-O 3.09Å
50Q81.8Confident82.9Confident59 Ų5942.6 Ų42.628%0.27623%0.232SC..Hα-helixtrans-66.7-48.6176.4-72.7169.1-64.100110.5T46 F47 R52 L53 H54 L581T46-Q50 WeakPolarHBondContact O-CG 3.33Å; T46-Q50 PolarHBondContact O-N 3.17Å; T46-Q50 PolarHBondContact O-OE1 3.42Å; F47-Q50 PolarHBondContact O-N 3.21Å; F47-Q50 VanDerWaalsContact O-N 3.12Å; Q50-R52 VanDerWaalsContact C-N 3.29Å; Q50-R52 PolarHBondContact O-N 3.13Å; Q50-L53 WeakPolarHBondContact O-CA 3.43Å; Q50-L53 WeakPolarHBondContact O-CB 3.49Å; Q50-L53 PolarHBondContact O-N 3.16Å; Q50-H54 PolarHBondContact O-CD2 3.07Å; Q50-H54 VanDerWaalsContact O-CD2 3.25Å; Q50-H54 PolarHBondContact O-N 3.39Å; Q50-L581 HydrophobicContact CG-CD2 3.82Å
51M80.8Confident83.5Confident25 Ų2545.5 Ų45.512%0.12324%0.244CC..Hα-helixtrans-57.6-41.7175.2-65.7-57.1-69.800112F47 L53 F55 I595 I597 L602F47-M51 HydrophobicContact CD1-CG 4.23Å; F47-M51 HydrophobicContact CD2-CG 4.22Å; F47-M51 HydrophobicContact CE1-CG 3.83Å; F47-M51 HydrophobicContact CE2-CG 3.81Å; F47-M51 HydrophobicContact CE2-SD 3.92Å; F47-M51 HydrophobicContact CG-CG 4.42Å; F47-M51 HydrophobicContact CZ-CG 3.6Å; F47-M51 HydrophobicContact CZ-SD 3.96Å; F47-M51 WeakPolarHBondContact O-CG 3.38Å; F47-M51 PolarHBondContact O-N 3.45Å; M51-L53 VanDerWaalsContact C-N 3.34Å; M51-F55 HydrophobicContact CE-CD2 3.69Å; M51-F55 HydrophobicContact CE-CE2 3.71Å; M51-F55 PolarHBondContact O-N 2.83Å; M51-F55 HydrophobicContact SD-CD2 4.17Å; M51-F55 HydrophobicContact SD-CE2 3.99Å; M51-I595 HydrophobicContact CB-CD1 3.64Å; M51-I597 HydrophobicContact CE-CD1 3.75Å; M51-L602 HydrophobicContact CE-CD2 3.68Å
52R85Confident84.2Confident64 Ų6443.4 Ų43.424%0.24224%0.238CC..Hα-helixtrans-66.2-33.8173.5-169.2-176.8176.4-174.7-3.7112.9C48 Q50 G56 D57 G58 F59C48-R52 WeakPolarHBondContact O-CB 3.31Å; C48-R52 PolarHBondContact O-N 3.33Å; Q50-R52 VanDerWaalsContact C-N 3.29Å; Q50-R52 PolarHBondContact O-N 3.13Å; R52-G56 CarbonylContact O-C 3.56Å; R52-G56 WeakPolarHBondContact O-CA 3.17Å; R52-G56 PolarHBondContact O-N 3.3Å; R52-D57 IonicContact CZ-OD1 2.75Å; R52-D57 VanDerWaalsContact CZ-OD1 3.32Å; R52-D57 IonicContact CZ-OD2 3.68Å; R52-D57 IonicContact NE-OD1 3.31Å; R52-D57 PolarHBondContact NE-OD1 3.02Å; R52-D57 IonicContact NE-OD2 3.65Å; R52-D57 VanDerWaalsContact NH2-CG 3.31Å; R52-D57 IonicContact NH2-OD1 3.7Å; R52-D57 PolarHBondContact NH2-OD1 3.27Å; R52-D57 VanDerWaalsContact NH2-OD1 3.09Å; R52-D57 IonicContact NH2-OD2 3.93Å; R52-D57 PolarHBondContact NH2-OD2 3.03Å; R52-G58 PolarHBondContact NE-O 3.03Å; R52-G58 WeakPolarHBondContact O-CA 3.43Å; R52-G58 PolarHBondContact O-N 2.86Å; R52-F59 HydrophobicContact CB-CZ 4.49Å
53L84Confident84.7Confident51 Ų5145.8 Ų45.827%0.26725%0.247SC..Hα-helixtrans-68.9-41.8177.3-177.356.6000112.8K49 Q50 M51 F59 L577 L581K49-L53 VanDerWaalsContact O-CB 3.28Å; K49-L53 WeakPolarHBondContact O-CB 3.39Å; K49-L53 PolarHBondContact O-N 3.21Å; Q50-L53 WeakPolarHBondContact O-CA 3.43Å; Q50-L53 WeakPolarHBondContact O-CB 3.49Å; Q50-L53 PolarHBondContact O-N 3.16Å; M51-L53 VanDerWaalsContact C-N 3.34Å; L53-F59 HydrophobicContact CB-CE2 4.25Å; L53-F59 HydrophobicContact CD1-CD2 4.37Å; L53-L577 HydrophobicContact CD1-CD1 4.04Å; L53-L577 HydrophobicContact CD1-CD2 3.79Å; L53-L577 HydrophobicContact CD1-CG 4.46Å; L53-L581 HydrophobicContact CD2-CD1 4.24Å
54H79.7Confident85.4Confident130 Ų13048.3 Ų48.360%0.60226%0.255SS*.Hα-helixtrans-84-35.6-177-74.9-86.7000113.5Q50Q50-H54 PolarHBondContact O-CD2 3.07Å; Q50-H54 VanDerWaalsContact O-CD2 3.25Å; Q50-H54 PolarHBondContact O-N 3.39Å
55F82.8Confident85.7Confident65 Ų6550.9 Ų50.929%0.28527%0.269SS..Hα-helixtrans-129.3-2.7-169.2-51.3-73.7000114.8M51 L366 I595 I597M51-F55 HydrophobicContact CE-CD2 3.69Å; M51-F55 HydrophobicContact CE-CE2 3.71Å; M51-F55 PolarHBondContact O-N 2.83Å; M51-F55 HydrophobicContact SD-CD2 4.17Å; M51-F55 HydrophobicContact SD-CE2 3.99Å; F55-L366 HydrophobicContact CE1-CD1 4.03Å; F55-L366 HydrophobicContact CZ-CD1 3.91Å; F55-I595 HydrophobicContact CB-CG2 3.46Å; F55-I595 VanDerWaalsContact CB-CG2 3.46Å; F55-I597 HydrophobicContact CB-CD1 4.39Å; F55-I597 HydrophobicContact CB-CG1 4Å; F55-I597 HydrophobicContact CD1-CD1 4.34Å; F55-I597 HydrophobicContact CD1-CG1 4.17Å; F55-I597 HydrophobicContact CD1-CG2 3.88Å; F55-I597 HydrophobicContact CD2-CD1 3.93Å; F55-I597 HydrophobicContact CD2-CG1 4.42Å; F55-I597 HydrophobicContact CE1-CG2 3.96Å; F55-I597 HydrophobicContact CE2-CD1 4.25Å; F55-I597 HydrophobicContact CG-CD1 3.97Å; F55-I597 HydrophobicContact CG-CG1 3.96Å
56G82.9Confident85.9Confident40 Ų4053.2 Ų53.241%0.41228%0.279SS..SBendtrans-102.1-154.9179.800000113.5R52 G58R52-G56 CarbonylContact O-C 3.56Å; R52-G56 WeakPolarHBondContact O-CA 3.17Å; R52-G56 PolarHBondContact O-N 3.3Å; G56-G58 PolarHBondContact O-N 2.8Å; G56-G58 VanDerWaalsContact O-N 3.14Å
57D84.5Confident86.3Confident96 Ų9653 Ų5351%0.51328%0.277SS..  trans-74.312.1169.467-44.7000113.3R52 F59 P60R52-D57 IonicContact CZ-OD1 2.75Å; R52-D57 VanDerWaalsContact CZ-OD1 3.32Å; R52-D57 IonicContact CZ-OD2 3.68Å; R52-D57 IonicContact NE-OD1 3.31Å; R52-D57 PolarHBondContact NE-OD1 3.02Å; R52-D57 IonicContact NE-OD2 3.65Å; R52-D57 VanDerWaalsContact NH2-CG 3.31Å; R52-D57 IonicContact NH2-OD1 3.7Å; R52-D57 PolarHBondContact NH2-OD1 3.27Å; R52-D57 VanDerWaalsContact NH2-OD1 3.09Å; R52-D57 IonicContact NH2-OD2 3.93Å; R52-D57 PolarHBondContact NH2-OD2 3.03Å; D57-F59 PolarHBondContact O-N 3.39Å; D57-P60 VanDerWaalsContact OD2-CD 3.25Å; D57-P60 WeakPolarHBondContact OD2-CD 3.41Å
58G83.3Confident86.7Confident14 Ų1452.8 Ų52.814%0.14428%0.276CS..  trans61.3-116.7-170.800000110.6R52 G56R52-G58 PolarHBondContact NE-O 3.03Å; R52-G58 WeakPolarHBondContact O-CA 3.43Å; R52-G58 PolarHBondContact O-N 2.86Å; G56-G58 PolarHBondContact O-N 2.8Å; G56-G58 VanDerWaalsContact O-N 3.14Å
59F88.8Confident86.9Confident9 Ų952.7 Ų52.74%0.03928%0.275CS..  trans-145.4106.2166.9-66.9-74.1000109.6K49 R52 L53 D57 Y63 R64 L577 L580K49-F59 HydrophobicContact CB-CE2 4.4Å; K49-F59 HydrophobicContact CB-CZ 3.81Å; K49-F59 HydrophobicContact CG-CZ 4.05Å; R52-F59 HydrophobicContact CB-CZ 4.49Å; L53-F59 HydrophobicContact CB-CE2 4.25Å; L53-F59 HydrophobicContact CD1-CD2 4.37Å; D57-F59 PolarHBondContact O-N 3.39Å; F59-Y63 AromaticContact CD1-CD1 3.6Å; F59-Y63 HydrophobicContact CD1-CD1 3.6Å; F59-Y63 AromaticContact CD1-CE1 3.54Å; F59-Y63 HydrophobicContact CD1-CE1 3.54Å; F59-Y63 HydrophobicContact CE1-CD1 4.33Å; F59-Y63 AromaticContact CE1-CE1 3.81Å; F59-Y63 HydrophobicContact CE1-CE1 3.81Å; F59-R64 HydrophobicContact CB-CG 4.33Å; F59-R64 PolarHBondContact O-NE 3.32Å; F59-R64 PolarHBondContact O-NH2 3.02Å; F59-R64 VanDerWaalsContact O-NH2 3.09Å; F59-L577 HydrophobicContact CB-CD2 4.27Å; F59-L577 HydrophobicContact CD2-CD2 3.88Å; F59-L580 HydrophobicContact CB-CD1 3.61Å; F59-L580 HydrophobicContact CD1-CD1 4.18Å; F59-L580 HydrophobicContact CD2-CD1 4.03Å; F59-L580 HydrophobicContact CG-CD1 3.67Å
60P90.5Very high87.2Confident50 Ų5052 Ų5233%0.32527%0.273SS..  trans-69.6152178.227.6-34.3000111.7D57 S62 Y63 R64D57-P60 VanDerWaalsContact OD2-CD 3.25Å; D57-P60 WeakPolarHBondContact OD2-CD 3.41Å; P60-S62 PolarHBondContact O-N 2.96Å; P60-S62 VanDerWaalsContact O-N 3.17Å; P60-Y63 WeakPolarHBondContact O-CB 3.48Å; P60-Y63 PolarHBondContact O-N 3.22Å; P60-R64 VanDerWaalsContact O-CG 3.3Å; P60-R64 WeakPolarHBondContact O-CG 3.43Å; P60-R64 PolarHBondContact O-N 3.36Å
61I90.2Very high87.7Confident104 Ų10449.2 Ų49.253%0.53326%0.26SS..Hα-helixtrans-57-35-172.4-61.4173.6000112.4R64 N65 I574I61-R64 WeakPolarHBondContact O-CB 3.44Å; I61-R64 PolarHBondContact O-N 3.19Å; I61-N65 VanDerWaalsContact O-CG 3.3Å; I61-N65 PolarHBondContact O-N 3.21Å; I61-N65 PolarHBondContact O-ND2 2.91Å; I61-I574 HydrophobicContact CG2-CD1 4.46Å; I61-I574 HydrophobicContact CG2-CG2 4.27Å
62S91.1Very high88.3Confident69 Ų6948.1 Ų48.148%0.48325%0.254SS..Hα-helixtrans-55-54.9172.144.80000112.3P60 R64 N65 E66P60-S62 PolarHBondContact O-N 2.96Å; P60-S62 VanDerWaalsContact O-N 3.17Å; S62-R64 VanDerWaalsContact C-N 3.29Å; S62-R64 PolarHBondContact O-N 3.23Å; S62-N65 WeakPolarHBondContact O-CB 3.36Å; S62-N65 PolarHBondContact O-N 3.06Å; S62-N65 VanDerWaalsContact O-N 3.13Å; S62-E66 PolarHBondContact O-N 3.13Å
63Y91.1Very high88.6Confident53 Ų5345.1 Ų45.121%0.20824%0.244CC..Hα-helixtrans-61.3-36.5176.7-176.3-92.5000111.9F59 P60 N65 E66 M67F59-Y63 AromaticContact CD1-CD1 3.6Å; F59-Y63 HydrophobicContact CD1-CD1 3.6Å; F59-Y63 AromaticContact CD1-CE1 3.54Å; F59-Y63 HydrophobicContact CD1-CE1 3.54Å; F59-Y63 HydrophobicContact CE1-CD1 4.33Å; F59-Y63 AromaticContact CE1-CE1 3.81Å; F59-Y63 HydrophobicContact CE1-CE1 3.81Å; P60-Y63 WeakPolarHBondContact O-CB 3.48Å; P60-Y63 PolarHBondContact O-N 3.22Å; Y63-N65 VanDerWaalsContact C-N 3.33Å; Y63-N65 PolarHBondContact O-N 3.46Å; Y63-E66 PolarHBondContact O-N 2.92Å; Y63-M67 HydrophobicContact CD1-CG 4.03Å; Y63-M67 HydrophobicContact CE1-CG 3.63Å; Y63-M67 HydrophobicContact CE1-SD 4.25Å; Y63-M67 HydrophobicContact CE2-CE 4.05Å; Y63-M67 VanDerWaalsContact O-CG 3.28Å; Y63-M67 WeakPolarHBondContact O-CG 3.36Å; Y63-M67 PolarHBondContact O-N 3.19Å; Y63-M67 VanDerWaalsContact O-N 3.1Å
64R93.5Very high89Confident58 Ų5844.1 Ų44.122%0.21924%0.238CC..Hα-helixtrans-61-44174.8-47.8-151.3-168.6170.63.6111.3F59 P60 I61 S62 M67 K68 I574 P575 L580F59-R64 HydrophobicContact CB-CG 4.33Å; F59-R64 PolarHBondContact O-NE 3.32Å; F59-R64 PolarHBondContact O-NH2 3.02Å; F59-R64 VanDerWaalsContact O-NH2 3.09Å; P60-R64 VanDerWaalsContact O-CG 3.3Å; P60-R64 WeakPolarHBondContact O-CG 3.43Å; P60-R64 PolarHBondContact O-N 3.36Å; I61-R64 WeakPolarHBondContact O-CB 3.44Å; I61-R64 PolarHBondContact O-N 3.19Å; S62-R64 VanDerWaalsContact C-N 3.29Å; S62-R64 PolarHBondContact O-N 3.23Å; R64-M67 PolarHBondContact O-N 3.47Å; R64-M67 VanDerWaalsContact O-N 3.16Å; R64-K68 PolarHBondContact O-N 3.44Å; R64-K68 VanDerWaalsContact O-N 3.15Å; R64-I574 HydrophobicContact CB-CG2 4.33Å; R64-P575 HydrophobicContact CB-CB 4.27Å; R64-P575 WeakPolarHBondContact CD-O 3.19Å; R64-P575 VanDerWaalsContact O-CG 3.31Å; R64-P575 WeakPolarHBondContact O-CG 3.12Å; R64-L580 HydrophobicContact CB-CD1 4.38Å; R64-L580 HydrophobicContact CG-CD1 3.78Å
65N90.6Very high89.6Confident62 Ų6237.9 Ų37.933%0.33221%0.21SC..Hα-helixtrans-65.1-38.6178.1-68.4-18000112.3I61 S62 Y63 M67 K68I61-N65 VanDerWaalsContact O-CG 3.3Å; I61-N65 PolarHBondContact O-N 3.21Å; I61-N65 PolarHBondContact O-ND2 2.91Å; S62-N65 WeakPolarHBondContact O-CB 3.36Å; S62-N65 PolarHBondContact O-N 3.06Å; S62-N65 VanDerWaalsContact O-N 3.13Å; Y63-N65 VanDerWaalsContact C-N 3.33Å; Y63-N65 PolarHBondContact O-N 3.46Å; N65-M67 VanDerWaalsContact C-N 3.27Å; N65-M67 PolarHBondContact O-N 3.32Å; N65-K68 VanDerWaalsContact O-CB 3.22Å; N65-K68 WeakPolarHBondContact O-CB 3.38Å; N65-K68 PolarHBondContact O-N 2.97Å
66E89.6Confident90.1Very high89 Ų8934.8 Ų34.842%0.41620%0.196SC..Hα-helixtrans-59.4-38.8172.3-68.7170.7-172.700111.9S62 Y63 K68 S69S62-E66 PolarHBondContact O-N 3.13Å; Y63-E66 PolarHBondContact O-N 2.92Å; E66-K68 PolarHBondContact O-N 3.27Å; E66-S69 PolarHBondContact O-OG 3.16Å
67M90.5Very high90.5Very high21 Ų2134 Ų3410%0.10318%0.182CC..Hα-helixtrans-76.3-14.8179.4-63.3-59.6107.600114.2Y63 R64 N65 S69 T70 I71 L580 M583Y63-M67 HydrophobicContact CD1-CG 4.03Å; Y63-M67 HydrophobicContact CE1-CG 3.63Å; Y63-M67 HydrophobicContact CE1-SD 4.25Å; Y63-M67 HydrophobicContact CE2-CE 4.05Å; Y63-M67 VanDerWaalsContact O-CG 3.28Å; Y63-M67 WeakPolarHBondContact O-CG 3.36Å; Y63-M67 PolarHBondContact O-N 3.19Å; Y63-M67 VanDerWaalsContact O-N 3.1Å; R64-M67 PolarHBondContact O-N 3.47Å; R64-M67 VanDerWaalsContact O-N 3.16Å; N65-M67 VanDerWaalsContact C-N 3.27Å; N65-M67 PolarHBondContact O-N 3.32Å; M67-S69 PolarHBondContact O-N 2.92Å; M67-S69 VanDerWaalsContact O-N 3.12Å; M67-T70 PolarHBondContact O-N 3.39Å; M67-I71 PolarHBondContact O-N 3Å; M67-I71 VanDerWaalsContact O-N 3.08Å; M67-L580 HydrophobicContact CB-CD2 3.59Å; M67-L580 HydrophobicContact CG-CD2 3.85Å; M67-M583 HydrophobicContact CB-CE 4.11Å; M67-M583 HydrophobicContact CB-SD 3.95Å; M67-M583 HydrophobicContact CG-CE 3.79Å; M67-M583 HydrophobicContact CG-SD 4.26Å; M67-M583 HydrophobicContact SD-CE 3.84Å; M67-M583 HydrophobicContact SD-SD 4.33Å
68K91Very high90.8Very high5 Ų529.7 Ų29.72%0.02216%0.16CC..Hα-helixtrans-49.4-39.4173.7-173.7170.9-179.51630111.2R64 N65 E66 T70 I71 L72 D571 Y573 P575R64-K68 PolarHBondContact O-N 3.44Å; R64-K68 VanDerWaalsContact O-N 3.15Å; N65-K68 VanDerWaalsContact O-CB 3.22Å; N65-K68 WeakPolarHBondContact O-CB 3.38Å; N65-K68 PolarHBondContact O-N 2.97Å; E66-K68 PolarHBondContact O-N 3.27Å; K68-T70 PolarHBondContact O-N 3.25Å; K68-I71 PolarHBondContact O-N 3.41Å; K68-L72 HydrophobicContact CG-CD1 3.91Å; K68-L72 WeakPolarHBondContact O-CB 3.39Å; K68-L72 WeakPolarHBondContact O-CD1 3.38Å; K68-L72 VanDerWaalsContact O-CG 3.3Å; K68-L72 WeakPolarHBondContact O-CG 3.29Å; K68-L72 PolarHBondContact O-N 3.34Å; K68-D571 PolarHBondContact NZ-O 2.87Å; K68-Y573 HydrophobicContact CD-CD1 4.27Å; K68-Y573 WeakPolarHBondContact CD-O 3.38Å; K68-Y573 WeakPolarHBondContact CE-O 3.42Å; K68-Y573 HydrophobicContact CG-CD1 4.11Å; K68-Y573 HydrophobicContact CG-CE1 4.33Å; K68-Y573 PolarHBondContact NZ-O 2.83Å; K68-P575 HydrophobicContact CB-CG 4.16Å
69S89.4Confident91.3Very high18 Ų1829 Ų2913%0.12615%0.153CC..Hα-helixtrans-60.4-36175.465.90000115.2E66 M67 A73 K117 F122E66-S69 PolarHBondContact O-OG 3.16Å; M67-S69 PolarHBondContact O-N 2.92Å; M67-S69 VanDerWaalsContact O-N 3.12Å; S69-A73 PolarHBondContact O-N 3.32Å; S69-K117 WeakPolarHBondContact O-CB 3.46Å; S69-F122 VanDerWaalsContact CB-CE2 3.47Å
70T90.7Very high91.4Very high11 Ų1128.6 Ų28.67%0.06715%0.151CC..Hα-helixtrans-81.3-38.9-179.2-54.40000110.6M67 K68 A73 N74 Q585M67-T70 PolarHBondContact O-N 3.39Å; K68-T70 PolarHBondContact O-N 3.25Å; T70-A73 PolarHBondContact O-N 3.31Å; T70-N74 PolarHBondContact O-N 3.23Å; T70-N74 PolarHBondContact O-ND2 2.62Å; T70-Q585 HydrophobicContact CG2-CB 4.21Å; T70-Q585 HydrophobicContact CG2-CG 4.31Å
71I92.7Very high91.2Very high0 Ų028.6 Ų28.60%015%0.147CC..Hα-helixtrans-64.3-44.1176-69.6153000111.2M67 K68 A73 N74 T75 F561 I568 Y573 P575 D579 L580 M583M67-I71 PolarHBondContact O-N 3Å; M67-I71 VanDerWaalsContact O-N 3.08Å; K68-I71 PolarHBondContact O-N 3.41Å; I71-A73 PolarHBondContact O-N 3.04Å; I71-N74 PolarHBondContact O-N 3.02Å; I71-T75 WeakPolarHBondContact O-CB 3.24Å; I71-T75 PolarHBondContact O-N 3.15Å; I71-T75 PolarHBondContact O-OG1 3.18Å; I71-F561 HydrophobicContact CG1-CE1 4.46Å; I71-F561 HydrophobicContact CG1-CZ 4.43Å; I71-F561 HydrophobicContact CG2-CD1 4.07Å; I71-F561 HydrophobicContact CG2-CE1 3.71Å; I71-F561 HydrophobicContact CG2-CZ 4.3Å; I71-I568 HydrophobicContact CG2-CD1 4.39Å; I71-I568 HydrophobicContact CG2-CG2 4.32Å; I71-Y573 HydrophobicContact CG2-CE1 4.25Å; I71-P575 HydrophobicContact CD1-CB 3.49Å; I71-P575 VanDerWaalsContact CD1-CB 3.49Å; I71-P575 HydrophobicContact CD1-CG 3.5Å; I71-D579 HydrophobicContact CD1-CB 3.78Å; I71-D579 HydrophobicContact CG1-CB 4.37Å; I71-L580 HydrophobicContact CD1-CD2 4.33Å; I71-M583 HydrophobicContact CD1-SD 4.15Å; I71-M583 HydrophobicContact CG1-CB 3.87Å; I71-M583 HydrophobicContact CG1-CG 4.35Å; I71-M583 HydrophobicContact CG1-SD 3.94Å
72L92.6Very high91.2Very high1 Ų123.6 Ų23.61%0.00512%0.122CC..Hα-helixtrans-62-40.7175.9-73.9163.9000112.3K68 T75 T76 I120 F122 L524 M531 I568K68-L72 HydrophobicContact CG-CD1 3.91Å; K68-L72 WeakPolarHBondContact O-CB 3.39Å; K68-L72 WeakPolarHBondContact O-CD1 3.38Å; K68-L72 VanDerWaalsContact O-CG 3.3Å; K68-L72 WeakPolarHBondContact O-CG 3.29Å; K68-L72 PolarHBondContact O-N 3.34Å; L72-T75 PolarHBondContact O-N 3.35Å; L72-T76 PolarHBondContact O-N 3.43Å; L72-T76 PolarHBondContact O-OG1 3.32Å; L72-I120 HydrophobicContact CB-CD1 3.86Å; L72-F122 HydrophobicContact CD1-CE1 4.3Å; L72-F122 HydrophobicContact CD1-CZ 4.15Å; L72-L524 HydrophobicContact CD1-CD1 3.36Å; L72-M531 HydrophobicContact CD2-CE 3.95Å; L72-I568 HydrophobicContact CD2-CG2 3.73Å; L72-I568 HydrophobicContact CG-CG2 4.47Å
73A91.2Very high91.2Very high2 Ų220.3 Ų20.32%0.01710%0.099CC..Hα-helixtrans-62.3-47.1174.300000112S69 T70 I71 T75 T76 D77 K117S69-A73 PolarHBondContact O-N 3.32Å; T70-A73 PolarHBondContact O-N 3.31Å; I71-A73 PolarHBondContact O-N 3.04Å; A73-T75 VanDerWaalsContact C-N 3.3Å; A73-T75 PolarHBondContact O-N 3.36Å; A73-T76 PolarHBondContact O-N 2.88Å; A73-D77 WeakPolarHBondContact O-CB 3.19Å; A73-D77 PolarHBondContact O-N 2.89Å; A73-K117 HydrophobicContact CB-CB 4.32Å
74N91.9Very high91.1Very high29 Ų2921.1 Ų21.116%0.15511%0.105CC..Hα-helixtrans-61.3-37.4175.7-66.5-20.8000112.6T70 I71 D77 A78 F561 K584T70-N74 PolarHBondContact O-N 3.23Å; T70-N74 PolarHBondContact O-ND2 2.62Å; I71-N74 PolarHBondContact O-N 3.02Å; N74-D77 PolarHBondContact O-N 3.18Å; N74-A78 WeakPolarHBondContact O-CB 3.49Å; N74-A78 PolarHBondContact O-N 3.21Å; N74-F561 HydrophobicContact CB-CD2 3.91Å; N74-F561 HydrophobicContact CB-CE2 3.8Å; N74-K584 PolarHBondContact ND2-N 2.99Å; N74-K584 VanDerWaalsContact ND2-N 3.19Å; N74-K584 PolarHBondContact ND2-O 3.12Å; N74-K584 PolarHBondContact OD1-O 2.82Å
75T93.5Very high90.8Very high0 Ų022.4 Ų22.40%011%0.11CC..Hα-helixtrans-67.1-43.2177.1-540000110.7I71 L72 A73 A78 I79 M531 F561 I565 I568I71-T75 WeakPolarHBondContact O-CB 3.24Å; I71-T75 PolarHBondContact O-N 3.15Å; I71-T75 PolarHBondContact O-OG1 3.18Å; L72-T75 PolarHBondContact O-N 3.35Å; A73-T75 VanDerWaalsContact C-N 3.3Å; A73-T75 PolarHBondContact O-N 3.36Å; T75-A78 PolarHBondContact O-N 3.16Å; T75-I79 HydrophobicContact CG2-CD1 4.4Å; T75-I79 WeakPolarHBondContact O-CG1 3.44Å; T75-I79 PolarHBondContact O-N 2.96Å; T75-M531 HydrophobicContact CG2-SD 4.12Å; T75-F561 HydrophobicContact CG2-CB 4.19Å; T75-I565 HydrophobicContact CG2-CD1 3.43Å; T75-I565 VanDerWaalsContact CG2-CD1 3.43Å; T75-I568 HydrophobicContact CG2-CG2 4.38Å
76T93Very high90.8Very high0 Ų019.5 Ų19.50%09%0.094CC..Hα-helixtrans-66.3-40176.1-44.40000111L72 A73 I79 A80 L105 I115 F119 L527 M531L72-T76 PolarHBondContact O-N 3.43Å; L72-T76 PolarHBondContact O-OG1 3.32Å; A73-T76 PolarHBondContact O-N 2.88Å; T76-I79 PolarHBondContact O-N 3.21Å; T76-A80 WeakPolarHBondContact O-CB 3.2Å; T76-A80 PolarHBondContact O-N 3.38Å; T76-L105 HydrophobicContact CG2-CD1 4.13Å; T76-L105 HydrophobicContact CG2-CD2 3.85Å; T76-I115 HydrophobicContact CG2-CD1 3.47Å; T76-I115 VanDerWaalsContact CG2-CD1 3.47Å; T76-F119 HydrophobicContact CG2-CE1 4.38Å; T76-L527 HydrophobicContact CG2-CD1 3.83Å; T76-M531 HydrophobicContact CG2-SD 4.49Å; T76-M531 PolarHBondContact OG1-SD 2.84Å; T76-M531 VanDerWaalsContact OG1-SD 3.42Å
77D90.8Very high90.8Very high23 Ų2321 Ų2112%0.12310%0.099CC..Hα-helixtrans-66.2-39.6178-164.464.6000112A73 N74 A80 M81 R109 W114 I115A73-D77 WeakPolarHBondContact O-CB 3.19Å; A73-D77 PolarHBondContact O-N 2.89Å; N74-D77 PolarHBondContact O-N 3.18Å; D77-A80 WeakPolarHBondContact O-CB 3.44Å; D77-A80 PolarHBondContact O-N 2.99Å; D77-M81 WeakPolarHBondContact O-CG 3.09Å; D77-M81 PolarHBondContact O-N 3.23Å; D77-R109 IonicContact OD1-CZ 2.66Å; D77-R109 IonicContact OD1-NE 2.69Å; D77-R109 PolarHBondContact OD1-NE 3.16Å; D77-R109 IonicContact OD1-NH2 2.95Å; D77-R109 PolarHBondContact OD1-NH2 3.34Å; D77-R109 IonicContact OD2-CZ 3.05Å; D77-R109 IonicContact OD2-NH2 3.93Å; D77-R109 PolarHBondContact OD2-NH2 2.68Å; D77-W114 WeakPolarHBondContact OD1-CA 3.33Å; D77-W114 WeakPolarHBondContact OD1-CB 3.42Å; D77-I115 HydrophobicContact CB-CB 4.13Å; D77-I115 HydrophobicContact CB-CG1 4.37Å; D77-I115 PolarHBondContact OD1-N 2.63Å
78A90.6Very high90.6Very high5 Ų525.3 Ų25.34%0.04112%0.123CC..Hα-helixtrans-61.3-43.7172.900000111.9N74 T75 M81 V82 G558 I562N74-A78 WeakPolarHBondContact O-CB 3.49Å; N74-A78 PolarHBondContact O-N 3.21Å; T75-A78 PolarHBondContact O-N 3.16Å; A78-M81 PolarHBondContact O-N 3.26Å; A78-V82 PolarHBondContact O-N 2.55Å; A78-G558 VanDerWaalsContact CB-CA 3.46Å; A78-I562 HydrophobicContact CB-CD1 3.9Å; A78-I562 HydrophobicContact CB-CG1 3.94Å
79I93.1Very high90.5Very high0 Ų027 Ų270%014%0.138CC..Hα-helixtrans-62-43.5172.6-70.9167000110.4T75 T76 M81 V82 L83 L105 M531 I534 T535 F540 I562 I565T75-I79 HydrophobicContact CG2-CD1 4.4Å; T75-I79 WeakPolarHBondContact O-CG1 3.44Å; T75-I79 PolarHBondContact O-N 2.96Å; T76-I79 PolarHBondContact O-N 3.21Å; I79-M81 VanDerWaalsContact C-N 3.35Å; I79-M81 PolarHBondContact O-N 3.22Å; I79-V82 PolarHBondContact O-N 2.7Å; I79-V82 VanDerWaalsContact O-N 3.14Å; I79-L83 HydrophobicContact CG2-CD1 3.7Å; I79-L83 HydrophobicContact CG2-CG 4.22Å; I79-L83 VanDerWaalsContact O-CG 3.28Å; I79-L83 WeakPolarHBondContact O-CG 3.33Å; I79-L83 PolarHBondContact O-N 3.45Å; I79-L105 HydrophobicContact CG2-CD1 4.09Å; I79-M531 HydrophobicContact CD1-CB 3.88Å; I79-M531 HydrophobicContact CD1-CG 3.75Å; I79-M531 HydrophobicContact CD1-SD 3.88Å; I79-I534 HydrophobicContact CG2-CG2 4.05Å; I79-T535 HydrophobicContact CD1-CG2 3.85Å; I79-T535 HydrophobicContact CG1-CG2 4.22Å; I79-F540 HydrophobicContact CG1-CZ 4.22Å; I79-F540 HydrophobicContact CG2-CE2 4.02Å; I79-F540 HydrophobicContact CG2-CZ 4.28Å; I79-I562 HydrophobicContact CG1-CG1 4.17Å; I79-I565 HydrophobicContact CD1-CD1 3.92Å
80A91.1Very high90.5Very high0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-60.8-39.5177.900000112.6T76 D77 V82 L83 E84 R109 I115T76-A80 WeakPolarHBondContact O-CB 3.2Å; T76-A80 PolarHBondContact O-N 3.38Å; D77-A80 WeakPolarHBondContact O-CB 3.44Å; D77-A80 PolarHBondContact O-N 2.99Å; A80-V82 VanDerWaalsContact C-N 3.33Å; A80-V82 PolarHBondContact O-N 3.09Å; A80-L83 PolarHBondContact O-N 3.18Å; A80-E84 VanDerWaalsContact O-CB 3.28Å; A80-E84 WeakPolarHBondContact O-CB 3.27Å; A80-E84 PolarHBondContact O-N 3.47Å; A80-R109 HydrophobicContact CB-CG 4.29Å; A80-I115 HydrophobicContact CB-CD1 4.03Å
81M86.6Confident90.4Very high50 Ų5035.2 Ų35.225%0.24618%0.18CC..Hα-helixtrans-59.8-39.2173.3-72174.756.700112.9D77 A78 I79 Y85D77-M81 WeakPolarHBondContact O-CG 3.09Å; D77-M81 PolarHBondContact O-N 3.23Å; A78-M81 PolarHBondContact O-N 3.26Å; I79-M81 VanDerWaalsContact C-N 3.35Å; I79-M81 PolarHBondContact O-N 3.22Å; M81-Y85 PolarHBondContact O-N 2.94Å
82V90.6Very high90.3Very high0 Ų039.3 Ų39.30%021%0.205CC..Hα-helixtrans-69.5-41.8176178.60000110.6A78 I79 A80 E84 Y85 M86 F540 I543 F544 L547 L551 I562A78-V82 PolarHBondContact O-N 2.55Å; I79-V82 PolarHBondContact O-N 2.7Å; I79-V82 VanDerWaalsContact O-N 3.14Å; A80-V82 VanDerWaalsContact C-N 3.33Å; A80-V82 PolarHBondContact O-N 3.09Å; V82-E84 VanDerWaalsContact C-N 3.31Å; V82-E84 PolarHBondContact O-N 3.2Å; V82-Y85 PolarHBondContact O-N 3.24Å; V82-M86 WeakPolarHBondContact O-CG 3.23Å; V82-M86 PolarHBondContact O-N 3.29Å; V82-F540 HydrophobicContact CB-CD2 4.49Å; V82-F540 HydrophobicContact CB-CE2 3.66Å; V82-F540 HydrophobicContact CB-CZ 3.96Å; V82-F540 HydrophobicContact CG1-CD2 3.88Å; V82-F540 HydrophobicContact CG1-CE2 3.48Å; V82-F540 VanDerWaalsContact CG1-CE2 3.48Å; V82-F540 HydrophobicContact CG1-CZ 3.86Å; V82-F540 HydrophobicContact CG2-CE2 4.47Å; V82-F540 HydrophobicContact CG2-CZ 4.28Å; V82-I543 HydrophobicContact CG1-CG2 4.23Å; V82-F544 HydrophobicContact CG2-CD2 4.23Å; V82-L547 HydrophobicContact CG1-CD1 4.32Å; V82-L551 HydrophobicContact CG2-CD1 3.89Å; V82-I562 HydrophobicContact CG2-CD1 3.85Å
83L92.1Very high90.2Very high0 Ų039.9 Ų39.90%021%0.207CC..Hα-helixtrans-66.2-31.5178.1-68.8170.1000113.6I79 A80 M86 K87 F93 Q102 L105 V106 I534 F540I79-L83 HydrophobicContact CG2-CD1 3.7Å; I79-L83 HydrophobicContact CG2-CG 4.22Å; I79-L83 VanDerWaalsContact O-CG 3.28Å; I79-L83 WeakPolarHBondContact O-CG 3.33Å; I79-L83 PolarHBondContact O-N 3.45Å; A80-L83 PolarHBondContact O-N 3.18Å; L83-M86 HydrophobicContact CD2-SD 4.25Å; L83-K87 WeakPolarHBondContact O-CB 3.32Å; L83-K87 PolarHBondContact O-N 3.5Å; L83-F93 HydrophobicContact CD2-CE2 3.65Å; L83-F93 HydrophobicContact CD2-CZ 3.73Å; L83-Q102 HydrophobicContact CB-CG 4.18Å; L83-Q102 HydrophobicContact CD2-CB 4.16Å; L83-Q102 HydrophobicContact CD2-CG 3.94Å; L83-Q102 PolarHBondContact O-NE2 3.1Å; L83-L105 HydrophobicContact CD1-CB 4.01Å; L83-L105 HydrophobicContact CD1-CD1 4Å; L83-V106 HydrophobicContact CB-CG2 3.67Å; L83-I534 HydrophobicContact CD1-CD1 4.07Å; L83-I534 HydrophobicContact CD1-CG2 4.23Å; L83-I534 HydrophobicContact CD2-CG2 3.79Å; L83-I534 HydrophobicContact CG-CG2 4.37Å; L83-F540 HydrophobicContact CD2-CD2 4.02Å; L83-F540 HydrophobicContact CD2-CE2 4.32Å; L83-F540 HydrophobicContact CG-CD2 4.47Å; L83-F540 HydrophobicContact CG-CE2 4.28Å
84E87.7Confident90Very high70 Ų7044.5 Ų44.533%0.32724%0.239SC..Hα-helixtrans-67.9-48.5173-170.6164.4-157.600110.1A80 V82 M86 K87 D88 R109A80-E84 VanDerWaalsContact O-CB 3.28Å; A80-E84 WeakPolarHBondContact O-CB 3.27Å; A80-E84 PolarHBondContact O-N 3.47Å; V82-E84 VanDerWaalsContact C-N 3.31Å; V82-E84 PolarHBondContact O-N 3.2Å; E84-M86 PolarHBondContact O-N 3.18Å; E84-K87 WeakPolarHBondContact O-CB 3.3Å; E84-K87 PolarHBondContact O-N 2.89Å; E84-K87 VanDerWaalsContact O-N 3.15Å; E84-D88 PolarHBondContact O-N 3.4Å; E84-R109 IonicContact OE2-CZ 2.72Å; E84-R109 IonicContact OE2-NH1 3.09Å; E84-R109 PolarHBondContact OE2-NH1 2.77Å
85Y87.6Confident89.7Confident85 Ų8545 Ų4533%0.33324%0.242SC..Hα-helixtrans-61.8-39.2171.8-179.4-89.3000113.2M81 V82 K87 D88 A89 I543 L547M81-Y85 PolarHBondContact O-N 2.94Å; V82-Y85 PolarHBondContact O-N 3.24Å; Y85-K87 VanDerWaalsContact C-N 3.29Å; Y85-K87 PolarHBondContact O-N 3.12Å; Y85-D88 PolarHBondContact O-N 3.33Å; Y85-A89 HydrophobicContact CE1-CB 4.28Å; Y85-A89 VanDerWaalsContact O-CB 3.27Å; Y85-A89 WeakPolarHBondContact O-CB 3.34Å; Y85-A89 PolarHBondContact O-N 2.77Å; Y85-I543 HydrophobicContact CD1-CG2 3.76Å; Y85-I543 HydrophobicContact CE1-CD1 4.26Å; Y85-I543 HydrophobicContact CE1-CG2 4.13Å; Y85-L547 HydrophobicContact CD1-CD1 3.57Å; Y85-L547 HydrophobicContact CD1-CD2 3.74Å; Y85-L547 HydrophobicContact CD1-CG 3.83Å; Y85-L547 HydrophobicContact CD2-CD2 3.92Å; Y85-L547 HydrophobicContact CE1-CD1 4.18Å; Y85-L547 HydrophobicContact CE1-CD2 3.63Å; Y85-L547 HydrophobicContact CE1-CG 3.9Å; Y85-L547 HydrophobicContact CE2-CD2 3.83Å; Y85-L547 HydrophobicContact CG-CD1 3.83Å; Y85-L547 HydrophobicContact CG-CD2 3.86Å; Y85-L547 HydrophobicContact CG-CG 4.29Å
86M91.2Very high89.4Confident0 Ų051.2 Ų51.20%027%0.274CS..Hα-helixtrans-58.3-43.3174.2-73.9-179.274.100111.3V82 L83 E84 A89 N90 I91 F93 E539 F540 I543V82-M86 WeakPolarHBondContact O-CG 3.23Å; V82-M86 PolarHBondContact O-N 3.29Å; L83-M86 HydrophobicContact CD2-SD 4.25Å; E84-M86 PolarHBondContact O-N 3.18Å; M86-A89 PolarHBondContact O-N 2.78Å; M86-N90 PolarHBondContact O-N 2.64Å; M86-I91 HydrophobicContact CE-CG2 3.82Å; M86-I91 PolarHBondContact O-N 3.08Å; M86-F93 HydrophobicContact CE-CD1 4.32Å; M86-F93 HydrophobicContact CE-CE1 3.65Å; M86-F93 HydrophobicContact CE-CE2 4.07Å; M86-F93 HydrophobicContact CE-CZ 3.51Å; M86-F93 HydrophobicContact SD-CE1 4.32Å; M86-F93 HydrophobicContact SD-CE2 4.38Å; M86-F93 HydrophobicContact SD-CZ 3.74Å; M86-E539 HydrophobicContact CE-CB 3.82Å; M86-F540 HydrophobicContact SD-CB 4.27Å; M86-F540 HydrophobicContact SD-CD2 4.04Å; M86-I543 HydrophobicContact CG-CB 4Å; M86-I543 HydrophobicContact CG-CG1 4.22Å; M86-I543 HydrophobicContact CG-CG2 3.64Å
87K88.4Confident88.9Confident120 Ų12052.7 Ų52.752%0.52228%0.282SS..Hα-helixtrans-64-45.9177.1178.4-168.1171.7-161.90111.5L83 E84 Y85 A89 N90L83-K87 WeakPolarHBondContact O-CB 3.32Å; L83-K87 PolarHBondContact O-N 3.5Å; E84-K87 WeakPolarHBondContact O-CB 3.3Å; E84-K87 PolarHBondContact O-N 2.89Å; E84-K87 VanDerWaalsContact O-N 3.15Å; Y85-K87 VanDerWaalsContact C-N 3.29Å; Y85-K87 PolarHBondContact O-N 3.12Å; K87-A89 VanDerWaalsContact C-N 3.3Å; K87-A89 PolarHBondContact O-N 3.47Å; K87-N90 WeakPolarHBondContact O-CA 3.4Å; K87-N90 PolarHBondContact O-N 3.5Å
88D87.7Confident88.8Confident113 Ų11351.6 Ų51.660%0.60428%0.276SS*.Hα-helixtrans-66.1-33178.8-66-14.2000112.2E84 Y85 N90E84-D88 PolarHBondContact O-N 3.4Å; Y85-D88 PolarHBondContact O-N 3.33Å; D88-N90 PolarHBondContact O-N 2.78Å
89A88.2Confident88.6Confident41 Ų4155.2 Ų55.234%0.33929%0.292SS..THydrogen-bonded Turntrans-76.52.2171.600000113.9Y85 M86 K87 I91Y85-A89 HydrophobicContact CE1-CB 4.28Å; Y85-A89 VanDerWaalsContact O-CB 3.27Å; Y85-A89 WeakPolarHBondContact O-CB 3.34Å; Y85-A89 PolarHBondContact O-N 2.77Å; M86-A89 PolarHBondContact O-N 2.78Å; K87-A89 VanDerWaalsContact C-N 3.3Å; K87-A89 PolarHBondContact O-N 3.47Å; A89-I91 HydrophobicContact CB-CD1 3.93Å; A89-I91 HydrophobicContact CB-CG1 4.07Å; A89-I91 PolarHBondContact O-N 2.82Å
90N89.4Confident88.1Confident143 Ų14359 Ų5977%0.76531%0.306SS*.THydrogen-bonded Turntrans5825.8-174-61.3-79.9000114.8M86 K87 D88M86-N90 PolarHBondContact O-N 2.64Å; K87-N90 WeakPolarHBondContact O-CA 3.4Å; K87-N90 PolarHBondContact O-N 3.5Å; D88-N90 PolarHBondContact O-N 2.78Å
91I89.6Confident87.9Confident58 Ų5859.4 Ų59.430%0.29731%0.308SS..  trans-91.7119.4179.1-62173000109.5M86 A89 I543M86-I91 HydrophobicContact CE-CG2 3.82Å; M86-I91 PolarHBondContact O-N 3.08Å; A89-I91 HydrophobicContact CB-CD1 3.93Å; A89-I91 HydrophobicContact CB-CG1 4.07Å; A89-I91 PolarHBondContact O-N 2.82Å; I91-I543 HydrophobicContact CD1-CD1 3.31Å; I91-I543 HydrophobicContact CD1-CG1 3.72Å
92T89.6Confident88Confident86 Ų8657.5 Ų57.553%0.52830%0.299SS..  trans-108.2159.1178.852.50000111.1
93F90.1Very high87.6Confident12 Ų1261.5 Ų61.55%0.05332%0.317CS..  trans-82.4140.8171.9-66.9-73.1000111.1L83 M86 D95 A98 H99 Q102 I534 Q537 E539 F540L83-F93 HydrophobicContact CD2-CE2 3.65Å; L83-F93 HydrophobicContact CD2-CZ 3.73Å; M86-F93 HydrophobicContact CE-CD1 4.32Å; M86-F93 HydrophobicContact CE-CE1 3.65Å; M86-F93 HydrophobicContact CE-CE2 4.07Å; M86-F93 HydrophobicContact CE-CZ 3.51Å; M86-F93 HydrophobicContact SD-CE1 4.32Å; M86-F93 HydrophobicContact SD-CE2 4.38Å; M86-F93 HydrophobicContact SD-CZ 3.74Å; F93-D95 VanDerWaalsContact C-N 3.26Å; F93-A98 HydrophobicContact CB-CB 3.83Å; F93-A98 HydrophobicContact CD1-CB 4.15Å; F93-A98 HydrophobicContact CD2-CB 3.99Å; F93-A98 HydrophobicContact CG-CB 3.71Å; F93-H99 HydrophobicContact CB-CB 4.25Å; F93-Q102 HydrophobicContact CD2-CB 4.25Å; F93-Q102 HydrophobicContact CE2-CB 3.98Å; F93-Q102 HydrophobicContact CE2-CG 4.27Å; F93-I534 HydrophobicContact CZ-CG2 4.4Å; F93-Q537 HydrophobicContact CD1-CB 3.55Å; F93-Q537 HydrophobicContact CD1-CG 3.58Å; F93-Q537 HydrophobicContact CE1-CB 3.42Å; F93-Q537 VanDerWaalsContact CE1-CB 3.42Å; F93-Q537 HydrophobicContact CE1-CG 3.67Å; F93-Q537 HydrophobicContact CG-CG 4.45Å; F93-E539 HydrophobicContact CD1-CB 3.92Å; F93-E539 HydrophobicContact CD1-CG 4.4Å; F93-E539 HydrophobicContact CE1-CB 4.03Å; F93-F540 HydrophobicContact CE1-CB 3.84Å; F93-F540 HydrophobicContact CZ-CB 4.02Å; F93-F540 HydrophobicContact CZ-CD2 4.47Å
94S88.4Confident87.3Confident99 Ų9961.9 Ų61.969%0.69232%0.319SS*.SBendtrans-66-28.5168.256.40000112.7E539S94-E539 VanDerWaalsContact CB-OE1 3.26Å; S94-E539 WeakPolarHBondContact CB-OE1 3.31Å; S94-E539 PolarHBondContact N-OE1 3.46Å; S94-E539 PolarHBondContact OG-OE1 3.2Å
95D85.5Confident87.2Confident41 Ų4158.6 Ų58.622%0.21930%0.303CS..SBendtrans-80.9119.4168.3176.626.3000111.9F93 L97 A98 H99F93-D95 VanDerWaalsContact C-N 3.26Å; D95-L97 PolarHBondContact O-N 3.09Å; D95-L97 PolarHBondContact OD1-N 3.38Å; D95-A98 HydrophobicContact CB-CB 3.97Å; D95-A98 PolarHBondContact O-N 2.95Å; D95-A98 PolarHBondContact OD2-N 3.04Å; D95-H99 PolarHBondContact O-N 3.43Å
96I85.7Confident87.1Confident130 Ų13055.3 Ų55.367%0.66729%0.292SS*.Hα-helixtrans-57.2-34.8175.4-59.3170.1000111.3R100I96-R100 VanDerWaalsContact O-CG 3.29Å; I96-R100 WeakPolarHBondContact O-CG 3.34Å; I96-R100 PolarHBondContact O-N 3.19Å; I96-R100 VanDerWaalsContact O-N 3.09Å
97L83.6Confident86.7Confident31 Ų3159.9 Ų59.916%0.16232%0.317CS..Hα-helixtrans-71.9-50.8178.5-67.7167.3000110.5D95 H99 R100 L101 Y494 M508D95-L97 PolarHBondContact O-N 3.09Å; D95-L97 PolarHBondContact OD1-N 3.38Å; L97-H99 VanDerWaalsContact C-N 3.27Å; L97-H99 PolarHBondContact O-N 3.42Å; L97-R100 PolarHBondContact O-N 3.02Å; L97-R100 VanDerWaalsContact O-N 3.11Å; L97-L101 WeakPolarHBondContact O-CB 3.43Å; L97-L101 VanDerWaalsContact O-CG 3.25Å; L97-L101 WeakPolarHBondContact O-CG 3.33Å; L97-L101 PolarHBondContact O-N 3.4Å; L97-Y494 WeakPolarHBondContact CD1-OH 2.96Å; L97-M508 HydrophobicContact CD1-CE 3.62Å
98A87.9Confident86.4Confident0 Ų055.2 Ų55.20%030%0.299CS..Hα-helixtrans-53.3-41.1172.600000113F93 D95 L101 Q102 Q537F93-A98 HydrophobicContact CB-CB 3.83Å; F93-A98 HydrophobicContact CD1-CB 4.15Å; F93-A98 HydrophobicContact CD2-CB 3.99Å; F93-A98 HydrophobicContact CG-CB 3.71Å; D95-A98 HydrophobicContact CB-CB 3.97Å; D95-A98 PolarHBondContact O-N 2.95Å; D95-A98 PolarHBondContact OD2-N 3.04Å; A98-L101 PolarHBondContact O-N 2.98Å; A98-Q102 WeakPolarHBondContact O-CB 3.46Å; A98-Q102 PolarHBondContact O-N 2.63Å; A98-Q537 HydrophobicContact CB-CG 3.75Å
99H87.2Confident86.1Confident81 Ų8152.5 Ų52.538%0.37528%0.28SS..Hα-helixtrans-65.9-38.9176-176.450.5000113.6F93 D95 L97 L101 Q102 E103F93-H99 HydrophobicContact CB-CB 4.25Å; D95-H99 PolarHBondContact O-N 3.43Å; L97-H99 VanDerWaalsContact C-N 3.27Å; L97-H99 PolarHBondContact O-N 3.42Å; H99-L101 VanDerWaalsContact C-N 3.35Å; H99-Q102 PolarHBondContact ND1-OE1 3.41Å; H99-Q102 VanDerWaalsContact ND1-OE1 3.13Å; H99-Q102 WeakPolarHBondContact O-CB 3.26Å; H99-Q102 PolarHBondContact O-N 3.23Å; H99-E103 PolarHBondContact O-N 2.84Å
100R81.5Confident85.4Confident80 Ų8052.6 Ų52.630%0.30228%0.279SS..Hα-helixtrans-68.7-35.3173.6-68.6173.577.5-1511.1111.8I96 L97 E103 Y104 N512 L514I96-R100 VanDerWaalsContact O-CG 3.29Å; I96-R100 WeakPolarHBondContact O-CG 3.34Å; I96-R100 PolarHBondContact O-N 3.19Å; I96-R100 VanDerWaalsContact O-N 3.09Å; L97-R100 PolarHBondContact O-N 3.02Å; L97-R100 VanDerWaalsContact O-N 3.11Å; R100-E103 PolarHBondContact O-N 2.88Å; R100-Y104 PolarHBondContact O-N 3.14Å; R100-Y104 VanDerWaalsContact O-N 3.13Å; R100-N512 PolarHBondContact NH1-OD1 3.15Å; R100-N512 PolarHBondContact NH2-O 3.46Å; R100-L514 HydrophobicContact CB-CD1 4.16Å; R100-L514 HydrophobicContact CB-CD2 4.27Å; R100-L514 WeakPolarHBondContact O-CD2 3.16Å
101L87.2Confident84.4Confident8 Ų855.6 Ų55.64%0.04229%0.288CS..Hα-helixtrans-72-31.9176.7-65.7175.4000112.8L97 A98 H99 Y104 L105 I530 I533 I534L97-L101 WeakPolarHBondContact O-CB 3.43Å; L97-L101 VanDerWaalsContact O-CG 3.25Å; L97-L101 WeakPolarHBondContact O-CG 3.33Å; L97-L101 PolarHBondContact O-N 3.4Å; A98-L101 PolarHBondContact O-N 2.98Å; H99-L101 VanDerWaalsContact C-N 3.35Å; L101-Y104 PolarHBondContact O-N 3.27Å; L101-L105 PolarHBondContact O-N 3.4Å; L101-I530 HydrophobicContact CB-CG2 4.2Å; L101-I530 HydrophobicContact CD1-CB 4.49Å; L101-I530 HydrophobicContact CD1-CG1 4.06Å; L101-I530 HydrophobicContact CD1-CG2 4.25Å; L101-I530 HydrophobicContact CD2-CD1 3.73Å; L101-I530 HydrophobicContact CD2-CG1 3.73Å; L101-I530 HydrophobicContact CD2-CG2 4.17Å; L101-I530 HydrophobicContact CG-CG1 4.48Å; L101-I530 HydrophobicContact CG-CG2 4.44Å; L101-I533 HydrophobicContact CD1-CB 4.48Å; L101-I533 HydrophobicContact CD1-CD1 4.48Å; L101-I533 HydrophobicContact CD1-CG2 4.02Å; L101-I534 HydrophobicContact CB-CD1 3.95Å; L101-I534 HydrophobicContact CB-CG1 4.32Å
102Q88.9Confident83.2Confident9 Ų957 Ų574%0.04230%0.296CS..Hα-helixtrans-56.6-51167.6176.7-176.322.300110.9L83 F93 A98 H99 Y104 L105 V106L83-Q102 HydrophobicContact CB-CG 4.18Å; L83-Q102 HydrophobicContact CD2-CB 4.16Å; L83-Q102 HydrophobicContact CD2-CG 3.94Å; L83-Q102 PolarHBondContact O-NE2 3.1Å; F93-Q102 HydrophobicContact CD2-CB 4.25Å; F93-Q102 HydrophobicContact CE2-CB 3.98Å; F93-Q102 HydrophobicContact CE2-CG 4.27Å; A98-Q102 WeakPolarHBondContact O-CB 3.46Å; A98-Q102 PolarHBondContact O-N 2.63Å; H99-Q102 PolarHBondContact ND1-OE1 3.41Å; H99-Q102 VanDerWaalsContact ND1-OE1 3.13Å; H99-Q102 WeakPolarHBondContact O-CB 3.26Å; H99-Q102 PolarHBondContact O-N 3.23Å; Q102-Y104 PolarHBondContact O-N 2.92Å; Q102-L105 PolarHBondContact O-N 2.93Å; Q102-V106 WeakPolarHBondContact O-CB 3.33Å; Q102-V106 WeakPolarHBondContact O-CG2 3Å; Q102-V106 PolarHBondContact O-N 3.16Å
103E83.3Confident82.3Confident85 Ų8554.8 Ų54.840%0.39729%0.29SS..Hα-helixtrans-61.7-32.6178.2-153.5-119.8137.200111.9H99 R100 N107 K518H99-E103 PolarHBondContact O-N 2.84Å; R100-E103 PolarHBondContact O-N 2.88Å; E103-N107 VanDerWaalsContact O-CB 3.29Å; E103-N107 WeakPolarHBondContact O-CB 3.35Å; E103-N107 VanDerWaalsContact O-CG 3.25Å; E103-N107 PolarHBondContact O-N 3.37Å; E103-N107 PolarHBondContact O-ND2 3.4Å; E103-N107 PolarHBondContact OE1-ND2 3.24Å; E103-K518 IonicContact OE1-NZ 3.74Å; E103-K518 PolarHBondContact OE1-NZ 2.82Å; E103-K518 IonicContact OE2-NZ 3.84Å; E103-K518 PolarHBondContact OE2-NZ 2.7Å
104Y84Confident81.4Confident8 Ų859.2 Ų59.23%0.03131%0.307CS..Hα-helixtrans-71.2-51.2174.8178.3-121.9000113.1R100 L101 Q102 N107 S108 F119 L517 I522 I530R100-Y104 PolarHBondContact O-N 3.14Å; R100-Y104 VanDerWaalsContact O-N 3.13Å; L101-Y104 PolarHBondContact O-N 3.27Å; Q102-Y104 PolarHBondContact O-N 2.92Å; Y104-N107 PolarHBondContact O-N 2.77Å; Y104-S108 WeakPolarHBondContact O-CB 3.46Å; Y104-S108 PolarHBondContact O-N 3.06Å; Y104-S108 VanDerWaalsContact O-N 3.12Å; Y104-F119 HydrophobicContact CE1-CE2 4.31Å; Y104-F119 AromaticContact CE1-CZ 3.82Å; Y104-F119 HydrophobicContact CE1-CZ 3.82Å; Y104-F119 HydrophobicContact CE2-CE2 4.45Å; Y104-F119 AromaticContact CZ-CE2 3.8Å; Y104-F119 AromaticContact CZ-CZ 3.8Å; Y104-F119 WeakPolarHBondContact OH-CE2 3.5Å; Y104-L517 HydrophobicContact CD2-CB 4.06Å; Y104-L517 HydrophobicContact CE1-CB 4.44Å; Y104-L517 HydrophobicContact CE1-CD2 4.32Å; Y104-L517 HydrophobicContact CE2-CB 3.67Å; Y104-L517 VanDerWaalsContact CE2-O 3.3Å; Y104-L517 WeakPolarHBondContact CE2-O 3.41Å; Y104-I522 HydrophobicContact CE1-CD1 3.96Å; Y104-I530 HydrophobicContact CD1-CD1 4.43Å; Y104-I530 HydrophobicContact CE1-CD1 4.45Å
105L86.4Confident80.9Confident0 Ų054.7 Ų54.70%028%0.275CS..Hα-helixtrans-67.2-41.7-176.8-69.9-166.9000112.5T76 I79 L83 L101 Q102 N107 S108 F119 L527 I530 I534T76-L105 HydrophobicContact CG2-CD1 4.13Å; T76-L105 HydrophobicContact CG2-CD2 3.85Å; I79-L105 HydrophobicContact CG2-CD1 4.09Å; L83-L105 HydrophobicContact CD1-CB 4.01Å; L83-L105 HydrophobicContact CD1-CD1 4Å; L101-L105 PolarHBondContact O-N 3.4Å; Q102-L105 PolarHBondContact O-N 2.93Å; L105-N107 VanDerWaalsContact C-N 3.32Å; L105-N107 PolarHBondContact O-N 2.89Å; L105-S108 WeakPolarHBondContact O-CB 3.42Å; L105-S108 PolarHBondContact O-N 3.12Å; L105-S108 PolarHBondContact O-OG 3.46Å; L105-F119 HydrophobicContact CD2-CE1 4.38Å; L105-F119 HydrophobicContact CD2-CZ 4.31Å; L105-L527 HydrophobicContact CD2-CD1 4.22Å; L105-I530 HydrophobicContact CD1-CG2 4.08Å; L105-I530 HydrophobicContact CD2-CG2 4.21Å; L105-I530 HydrophobicContact CG-CG2 4.15Å; L105-I534 HydrophobicContact CD1-CD1 3.59Å; L105-I534 HydrophobicContact CG-CD1 4.22Å
106V85.7Confident80.4Confident17 Ų1755 Ų5510%0.10328%0.278CS..Hα-helixtrans-62.5-41.2177.8174.40000110.8L83 Q102 S108L83-V106 HydrophobicContact CB-CG2 3.67Å; Q102-V106 WeakPolarHBondContact O-CB 3.33Å; Q102-V106 WeakPolarHBondContact O-CG2 3Å; Q102-V106 PolarHBondContact O-N 3.16Å; V106-S108 PolarHBondContact O-N 2.81Å
107N83.2Confident80.1Confident96 Ų9653.9 Ų53.951%0.51327%0.269SS..THydrogen-bonded Turntrans-77.40.1175.7-68.3-37000114.2E103 Y104 L105E103-N107 VanDerWaalsContact O-CB 3.29Å; E103-N107 WeakPolarHBondContact O-CB 3.35Å; E103-N107 VanDerWaalsContact O-CG 3.25Å; E103-N107 PolarHBondContact O-N 3.37Å; E103-N107 PolarHBondContact O-ND2 3.4Å; E103-N107 PolarHBondContact OE1-ND2 3.24Å; Y104-N107 PolarHBondContact O-N 2.77Å; L105-N107 VanDerWaalsContact C-N 3.32Å; L105-N107 PolarHBondContact O-N 2.89Å
108S82Confident79.8Confident22 Ų2256.7 Ų56.715%0.15428%0.284CS..THydrogen-bonded Turntrans-92.1-6.9178.275.50000114.2Y104 L105 V106 I115 F119Y104-S108 WeakPolarHBondContact O-CB 3.46Å; Y104-S108 PolarHBondContact O-N 3.06Å; Y104-S108 VanDerWaalsContact O-N 3.12Å; L105-S108 WeakPolarHBondContact O-CB 3.42Å; L105-S108 PolarHBondContact O-N 3.12Å; L105-S108 PolarHBondContact O-OG 3.46Å; V106-S108 PolarHBondContact O-N 2.81Å; S108-I115 VanDerWaalsContact OG-CD1 3.25Å; S108-I115 WeakPolarHBondContact OG-CD1 3.41Å; S108-F119 VanDerWaalsContact CB-CE2 3.5Å
109R80.2Confident79.1Confident55 Ų5557.9 Ų57.921%0.20829%0.289CS..SBendtrans-65135.1172.8-52.4-170.594.7-162.2-5.7109D77 A80 E84 G113 I115D77-R109 IonicContact OD1-CZ 2.66Å; D77-R109 IonicContact OD1-NE 2.69Å; D77-R109 PolarHBondContact OD1-NE 3.16Å; D77-R109 IonicContact OD1-NH2 2.95Å; D77-R109 PolarHBondContact OD1-NH2 3.34Å; D77-R109 IonicContact OD2-CZ 3.05Å; D77-R109 IonicContact OD2-NH2 3.93Å; D77-R109 PolarHBondContact OD2-NH2 2.68Å; A80-R109 HydrophobicContact CB-CG 4.29Å; E84-R109 IonicContact OE2-CZ 2.72Å; E84-R109 IonicContact OE2-NH1 3.09Å; E84-R109 PolarHBondContact OE2-NH1 2.77Å; R109-G113 PolarHBondContact NE-O 3.01Å; R109-G113 PolarHBondContact NH1-O 3.24Å; R109-G113 PolarHBondContact NH2-O 2.86Å; R109-G113 VanDerWaalsContact NH2-O 3.1Å; R109-I115 HydrophobicContact CG-CG1 3.96Å
110S74.7Confident78.6Confident44 Ų4454.5 Ų54.531%0.30827%0.274SS..  trans-72.1175.2-178.665.50000112.4N112 G113 W114S110-N112 PolarHBondContact O-N 3.18Å; S110-G113 PolarHBondContact O-N 3.29Å; S110-W114 WeakPolarHBondContact CB-O 3.48Å; S110-W114 PolarHBondContact N-O 3.3Å; S110-W114 PolarHBondContact OG-O 3.29Å
111E67.2Low78.3Confident206 Ų20654.2 Ų54.296%0.96328%0.277SS*.THydrogen-bonded Turntrans-52.1-25.9174.4-63.7176.7177.900113.5G113E111-G113 PolarHBondContact O-N 3.02Å
112N64Low77.2Confident87 Ų8756.3 Ų56.347%0.46529%0.286SS..THydrogen-bonded Turntrans-73.9-4.6174.2-75.756.3000114.3S110 W114S110-N112 PolarHBondContact O-N 3.18Å; N112-W114 HydrophobicContact CB-CD2 3.91Å; N112-W114 HydrophobicContact CB-CE3 4.28Å; N112-W114 HydrophobicContact CB-CG 4.47Å; N112-W114 HydrophobicContact CB-CH2 4.16Å; N112-W114 HydrophobicContact CB-CZ2 3.76Å; N112-W114 HydrophobicContact CB-CZ3 4.39Å; N112-W114 WeakPolarHBondContact ND2-CZ2 3.43Å; N112-W114 WeakPolarHBondContact O-CZ3 3.29Å
113G71.5Confident75.7Confident39 Ų3960.6 Ų60.640%0.40231%0.309SS..SBendtrans79.520.3-175.800000114.7R109 S110 E111R109-G113 PolarHBondContact NE-O 3.01Å; R109-G113 PolarHBondContact NH1-O 3.24Å; R109-G113 PolarHBondContact NH2-O 2.86Å; R109-G113 VanDerWaalsContact NH2-O 3.1Å; S110-G113 PolarHBondContact O-N 3.29Å; E111-G113 PolarHBondContact O-N 3.02Å
114W71.5Confident73.9Confident105 Ų10562.6 Ų62.640%0.39832%0.323SS..SBendtrans-149.3156.3175.75870.6000114D77 S110 N112D77-W114 WeakPolarHBondContact OD1-CA 3.33Å; D77-W114 WeakPolarHBondContact OD1-CB 3.42Å; S110-W114 WeakPolarHBondContact CB-O 3.48Å; S110-W114 PolarHBondContact N-O 3.3Å; S110-W114 PolarHBondContact OG-O 3.29Å; N112-W114 HydrophobicContact CB-CD2 3.91Å; N112-W114 HydrophobicContact CB-CE3 4.28Å; N112-W114 HydrophobicContact CB-CG 4.47Å; N112-W114 HydrophobicContact CB-CH2 4.16Å; N112-W114 HydrophobicContact CB-CZ2 3.76Å; N112-W114 HydrophobicContact CB-CZ3 4.39Å; N112-W114 WeakPolarHBondContact ND2-CZ2 3.43Å; N112-W114 WeakPolarHBondContact O-CZ3 3.29Å
115I78.6Confident72Confident5 Ų570 Ų703%0.02636%0.355CS..  trans-75.2131.4174.7-55.6-178.9000110.1T76 D77 A80 S108 R109 F119T76-I115 HydrophobicContact CG2-CD1 3.47Å; T76-I115 VanDerWaalsContact CG2-CD1 3.47Å; D77-I115 HydrophobicContact CB-CB 4.13Å; D77-I115 HydrophobicContact CB-CG1 4.37Å; D77-I115 PolarHBondContact OD1-N 2.63Å; A80-I115 HydrophobicContact CB-CD1 4.03Å; S108-I115 VanDerWaalsContact OG-CD1 3.25Å; S108-I115 WeakPolarHBondContact OG-CD1 3.41Å; R109-I115 HydrophobicContact CG-CG1 3.96Å; I115-F119 HydrophobicContact CG2-CB 3.93Å; I115-F119 HydrophobicContact CG2-CD1 3.64Å; I115-F119 HydrophobicContact CG2-CE1 4.4Å; I115-F119 HydrophobicContact CG2-CG 4.01Å
116T75Confident69.9Low47 Ų4774.4 Ų74.429%0.28837%0.372SS..  trans-104160.617378.30000111.3D118 F119T116-D118 PolarHBondContact O-N 2.79Å; T116-D118 PolarHBondContact OG1-N 2.73Å; T116-D118 PolarHBondContact OG1-OD2 2.79Å; T116-F119 WeakPolarHBondContact O-CB 3.5Å; T116-F119 PolarHBondContact O-N 3.16Å
117K78.4Confident67.5Low106 Ų10676.6 Ų76.646%0.46139%0.386SS..G310 helixtrans-56-21174.266.3165-170.91670113.9S69 A73 F119 I120S69-K117 WeakPolarHBondContact O-CB 3.46Å; A73-K117 HydrophobicContact CB-CB 4.32Å; K117-F119 PolarHBondContact O-N 2.74Å; K117-I120 PolarHBondContact O-N 2.78Å; K117-I120 VanDerWaalsContact O-N 3.11Å
118D76.8Confident65Low90 Ų9074.2 Ų74.248%0.48138%0.38SS..G310 helixtrans-71.7-13.8-179.1-48.3-66.8000112.4T116 I120 K521T116-D118 PolarHBondContact O-N 2.79Å; T116-D118 PolarHBondContact OG1-N 2.73Å; T116-D118 PolarHBondContact OG1-OD2 2.79Å; D118-I120 PolarHBondContact O-N 3Å; D118-K521 WeakPolarHBondContact O-CD 3.46Å; D118-K521 WeakPolarHBondContact O-CE 3.48Å; D118-K521 WeakPolarHBondContact O-CG 3.41Å; D118-K521 PolarHBondContact O-NZ 3.31Å
119F74.9Confident62.8Low26 Ų2677.9 Ų77.911%0.11440%0.401CS..G310 helixtrans-61-25.9167.2177.8-127.4000113.1T76 Y104 L105 S108 I115 T116 K117 K521 I522 L527T76-F119 HydrophobicContact CG2-CE1 4.38Å; Y104-F119 HydrophobicContact CE1-CE2 4.31Å; Y104-F119 AromaticContact CE1-CZ 3.82Å; Y104-F119 HydrophobicContact CE1-CZ 3.82Å; Y104-F119 HydrophobicContact CE2-CE2 4.45Å; Y104-F119 AromaticContact CZ-CE2 3.8Å; Y104-F119 AromaticContact CZ-CZ 3.8Å; Y104-F119 WeakPolarHBondContact OH-CE2 3.5Å; L105-F119 HydrophobicContact CD2-CE1 4.38Å; L105-F119 HydrophobicContact CD2-CZ 4.31Å; S108-F119 VanDerWaalsContact CB-CE2 3.5Å; I115-F119 HydrophobicContact CG2-CB 3.93Å; I115-F119 HydrophobicContact CG2-CD1 3.64Å; I115-F119 HydrophobicContact CG2-CE1 4.4Å; I115-F119 HydrophobicContact CG2-CG 4.01Å; T116-F119 WeakPolarHBondContact O-CB 3.5Å; T116-F119 PolarHBondContact O-N 3.16Å; K117-F119 PolarHBondContact O-N 2.74Å; F119-K521 CarbonylContact O-C 3.55Å; F119-K521 WeakPolarHBondContact O-CA 3.36Å; F119-K521 VanDerWaalsContact O-CB 3.3Å; F119-K521 WeakPolarHBondContact O-CB 3.01Å; F119-I522 HydrophobicContact CD1-CG2 3.83Å; F119-I522 HydrophobicContact CD2-CG2 4.31Å; F119-I522 HydrophobicContact CE1-CG2 3.49Å; F119-I522 VanDerWaalsContact CE1-CG2 3.49Å; F119-I522 HydrophobicContact CE2-CG2 3.99Å; F119-I522 HydrophobicContact CG-CG2 4.24Å; F119-I522 HydrophobicContact CZ-CB 4.38Å; F119-I522 HydrophobicContact CZ-CG2 3.58Å; F119-I522 PolarHBondContact O-N 2.95Å; F119-L527 HydrophobicContact CD1-CD2 4.27Å; F119-L527 HydrophobicContact CE1-CD1 3.97Å; F119-L527 HydrophobicContact CE1-CD2 4.2Å
120I76.6Confident60.6Low9 Ų978.4 Ų78.45%0.04641%0.411CS..EExtended strand (participates in β ladder)trans-102.5133.6-168.7-43.7177000111L72 K117 D118 F122 I522 L527L72-I120 HydrophobicContact CB-CD1 3.86Å; K117-I120 PolarHBondContact O-N 2.78Å; K117-I120 VanDerWaalsContact O-N 3.11Å; D118-I120 PolarHBondContact O-N 3Å; I120-F122 HydrophobicContact CB-CD2 4.39Å; I120-F122 HydrophobicContact CB-CE2 3.7Å; I120-F122 HydrophobicContact CB-CZ 4.28Å; I120-F122 HydrophobicContact CD1-CE2 4.42Å; I120-F122 HydrophobicContact CD1-CZ 4.37Å; I120-F122 HydrophobicContact CG2-CD2 4.09Å; I120-F122 HydrophobicContact CG2-CE2 3.5Å; I120-F122 HydrophobicContact CG2-CZ 3.74Å; I120-I522 CarbonylContact C-O 3.47Å; I120-I522 WeakPolarHBondContact CA-O 3.39Å; I120-L527 HydrophobicContact CD1-CD2 3.67Å; I120-L527 HydrophobicContact CG1-CD2 3.7Å; I120-L527 HydrophobicContact CG2-CD2 4.46Å
121I73.8Confident58.7Low75 Ų7582 Ų8239%0.38543%0.425SS..EExtended strand (participates in β ladder)trans-91123.6163.4-48.1-177.9000108.4K521 I522 S523 L524I121-K521 HydrophobicContact CD1-CB 3.9Å; I121-K521 WeakPolarHBondContact CD1-O 3.43Å; I121-K521 HydrophobicContact CG1-CB 3.35Å; I121-K521 HydrophobicContact CG1-CD 4.25Å; I121-K521 HydrophobicContact CG1-CG 4.46Å; I121-I522 PolarHBondContact N-O 2.73Å; I121-S523 WeakPolarHBondContact O-CA 3.37Å; I121-L524 PolarHBondContact O-N 2.91Å
122F65.5Low57Low51 Ų5177.5 Ų77.522%0.22441%0.412CS..PPolyproline II helixtrans-99120.6164.8-69.3-92000108S69 L72 I120 Y126 L524S69-F122 VanDerWaalsContact CB-CE2 3.47Å; L72-F122 HydrophobicContact CD1-CE1 4.3Å; L72-F122 HydrophobicContact CD1-CZ 4.15Å; I120-F122 HydrophobicContact CB-CD2 4.39Å; I120-F122 HydrophobicContact CB-CE2 3.7Å; I120-F122 HydrophobicContact CB-CZ 4.28Å; I120-F122 HydrophobicContact CD1-CE2 4.42Å; I120-F122 HydrophobicContact CD1-CZ 4.37Å; I120-F122 HydrophobicContact CG2-CD2 4.09Å; I120-F122 HydrophobicContact CG2-CE2 3.5Å; I120-F122 HydrophobicContact CG2-CZ 3.74Å; F122-Y126 HydrophobicContact CD1-CD2 4.39Å; F122-L524 HydrophobicContact CD1-CB 4.39Å; F122-L524 HydrophobicContact CD1-CD2 3.9Å; F122-L524 HydrophobicContact CE1-CB 4.34Å; F122-L524 HydrophobicContact CE1-CD1 3.92Å; F122-L524 HydrophobicContact CE1-CD2 3.84Å; F122-L524 HydrophobicContact CE1-CG 4.24Å; F122-L524 HydrophobicContact CZ-CD1 4.43Å
123D57.3Low55.4Low99 Ų9978.6 Ų78.653%0.52942%0.422SS..PPolyproline II helixtrans-60.1143.9169.2-74.51000109.6K125 Y126D123-K125 PolarHBondContact O-N 3.5Å; D123-Y126 PolarHBondContact O-N 2.8Å
124D44.9Very low53.5Low127 Ų12780.2 Ų80.268%0.67942%0.421SS*.THydrogen-bonded Turntrans-61.12.3-170.3-76.3-58.8000116.7Y126 T127 A128D124-Y126 PolarHBondContact O-N 3.03Å; D124-T127 VanDerWaalsContact CA-OG1 3.29Å; D124-T127 WeakPolarHBondContact CA-OG1 3.45Å; D124-T127 PolarHBondContact O-N 2.97Å; D124-T127 PolarHBondContact O-OG1 3.32Å; D124-T127 PolarHBondContact OD1-OG1 3.36Å; D124-A128 PolarHBondContact O-N 3.32Å
125K44.1Very low51.5Low164 Ų16482.5 Ų82.571%0.71344%0.441SS*.THydrogen-bonded Turntrans-62.9-27.3167.6-67.8-178.3177.9177.80112.9D123D123-K125 PolarHBondContact O-N 3.5Å
126Y42.4Very low49.1Very low92 Ų9289.9 Ų89.936%0.36148%0.478SS..THydrogen-bonded Turntrans-88.7-23.2179.6-74.7-79.3000113.8F122 D123 D124 L524 D571F122-Y126 HydrophobicContact CD1-CD2 4.39Å; D123-Y126 PolarHBondContact O-N 2.8Å; D124-Y126 PolarHBondContact O-N 3.03Å; Y126-L524 HydrophobicContact CD2-CD2 4.21Å; Y126-L524 HydrophobicContact CE2-CD2 3.52Å; Y126-D571 PolarHBondContact OH-O 3.09Å
127T35Very low46.9Very low64 Ų6493.6 Ų93.639%0.39350%0.496SS..THydrogen-bonded Turntrans-82.8-30.9176.748.50000112.5D124 T129 T130D124-T127 VanDerWaalsContact CA-OG1 3.29Å; D124-T127 WeakPolarHBondContact CA-OG1 3.45Å; D124-T127 PolarHBondContact O-N 2.97Å; D124-T127 PolarHBondContact O-OG1 3.32Å; D124-T127 PolarHBondContact OD1-OG1 3.36Å; T127-T129 VanDerWaalsContact C-N 3.29Å; T127-T129 PolarHBondContact O-N 3.09Å; T127-T130 PolarHBondContact O-N 3.23Å
128A31.5Very low44.5Very low46 Ų4695 Ų9538%0.3850%0.504SS..G310 helixtrans-59-31.3-176.100000115.1D124 T130 I131D124-A128 PolarHBondContact O-N 3.32Å; A128-T130 VanDerWaalsContact C-N 3.28Å; A128-T130 PolarHBondContact O-N 3.38Å; A128-I131 PolarHBondContact O-N 3.2Å
129T35.2Very low42.4Very low99 Ų9997.8 Ų97.861%0.60751%0.514SS*.G310 helixtrans-67.8-25.1-176.6-47.20000113.3T127T127-T129 VanDerWaalsContact C-N 3.29Å; T127-T129 PolarHBondContact O-N 3.09Å
130T34.2Very low40.3Very low65 Ų65101.7 Ų101.740%0.39954%0.536SS..G310 helixtrans-86.9-12178.4-50.30000112.4T127 A128 N134T127-T130 PolarHBondContact O-N 3.23Å; A128-T130 VanDerWaalsContact C-N 3.28Å; A128-T130 PolarHBondContact O-N 3.38Å; T130-N134 PolarHBondContact O-ND2 3.26Å
131I33.9Very low38.2Very low121 Ų121108.1 Ų108.162%0.62157%0.569SS**THydrogen-bonded Turntrans-97.8-26.4-172.1-63.3174.5000112.1A128A128-I131 PolarHBondContact O-N 3.2Å
132T31.8Very low36.2Very low111 Ų111112 Ų11268%0.68159%0.586SS**SBendtrans-87.8-7.5-172.549.60000115.7
133T30.8Very low34.5Very low110 Ų110118 Ų11868%0.67561%0.607SS**SBendtrans-99.3-9.9173.450.40000114.6N135T133-N135 VanDerWaalsContact C-N 3.25Å; T133-N135 PolarHBondContact O-N 3.04Å
134N30.6Very low33.3Very low73 Ų73120.8 Ų120.839%0.3962%0.617SS.*  trans-87.822.3-174.3-66.2-3.8000114.2T130 M136 H138T130-N134 PolarHBondContact O-ND2 3.26Å; N134-M136 PolarHBondContact O-N 3.49Å; N134-H138 PolarHBondContact O-CD2 3.14Å
135N30Very low32.7Very low153 Ų153122.6 Ų122.682%0.81862%0.621SS**SBendtrans-89.929.7174.5-98.1-20.8000113.3T133T133-N135 VanDerWaalsContact C-N 3.25Å; T133-N135 PolarHBondContact O-N 3.04Å
136M27.7Very low32.1Very low159 Ų159118.2 Ų118.278%0.78361%0.611SS**SBendtrans-137.3150.3155.8-77.5-64.7-169.400108.3N134 H138N134-M136 PolarHBondContact O-N 3.49Å; M136-H138 VanDerWaalsContact C-N 3.27Å; M136-H138 PolarHBondContact O-N 2.75Å
137D28.9Very low31.6Very low126 Ų126117.2 Ų117.267%0.67462%0.617SS**  trans55.619.7169.7-64.2-19000119.5H139 N140D137-H139 PolarHBondContact O-N 2.76Å; D137-N140 PolarHBondContact O-N 2.75Å
138H29.3Very low31.4Very low136 Ų136123.2 Ų123.263%0.6364%0.639SS**THydrogen-bonded Turntrans-60.60.7171.5-141-49.9000114.9N134 M136N134-H138 PolarHBondContact O-CD2 3.14Å; M136-H138 VanDerWaalsContact C-N 3.27Å; M136-H138 PolarHBondContact O-N 2.75Å
139H31Very low31.4Very low148 Ų148129.6 Ų129.669%0.68566%0.658SS**THydrogen-bonded Turntrans-97.2-7.6-172.9-143.3-42.8000115D137D137-H139 PolarHBondContact O-N 2.76Å
140N30.9Very low31.2Very low108 Ų108128 Ų12858%0.57866%0.655SS**THydrogen-bonded Turntrans-102.6-40-175.2-78.3-37.6000115.2D137 Q142 R143D137-N140 PolarHBondContact O-N 2.75Å; N140-Q142 VanDerWaalsContact C-N 3.33Å; N140-Q142 PolarHBondContact O-N 3.29Å; N140-R143 PolarHBondContact O-N 3.14Å
141L32.9Very low31Very low144 Ų144132.2 Ų132.275%0.75467%0.674SS**G310 helixtrans-66.3-30.8-174.3-89.375.5000113.8R143L141-R143 PolarHBondContact O-N 3.41Å; L141-R143 VanDerWaalsContact O-N 3.07Å
142Q31.8Very low30.8Very low156 Ų156134 Ų13473%0.72968%0.684SS**G310 helixtrans-73.85.8-179-107.6179.33.100115.2N140 S146N140-Q142 VanDerWaalsContact C-N 3.33Å; N140-Q142 PolarHBondContact O-N 3.29Å; Q142-S146 PolarHBondContact O-OG 3.42Å
143R30.3Very low30.5Very low176 Ų176135.3 Ų135.366%0.66469%0.688SS**G310 helixtrans-102.9-13.7179.8-82.8-174.7168.3179.9-1.5115.9N140 L141 S146 S147N140-R143 PolarHBondContact O-N 3.14Å; L141-R143 PolarHBondContact O-N 3.41Å; L141-R143 VanDerWaalsContact O-N 3.07Å; R143-S146 PolarHBondContact O-OG 3.06Å; R143-S147 PolarHBondContact O-OG 3.13Å
144Q32.6Very low30.3Very low159 Ų159137.5 Ų137.574%0.74370%0.695SS**THydrogen-bonded Turntrans-91.8-35.5-179.9-74.1-177.4-42.100113.2S146 S147Q144-S146 VanDerWaalsContact C-N 3.31Å; Q144-S146 PolarHBondContact O-N 3Å; Q144-S147 PolarHBondContact O-OG 3.11Å
145E32.8Very low30.2Very low165 Ų165140.9 Ų140.977%0.77172%0.718SS**THydrogen-bonded Turntrans-71.6-26.3173.9-62.7-168.8126.800112.9
146S30.7Very low29.9Very low71 Ų71139.8 Ų139.850%0.49772%0.717SS.*THydrogen-bonded Turntrans-83.1-20.6-178.760.90000114.4Q142 R143 Q144Q142-S146 PolarHBondContact O-OG 3.42Å; R143-S146 PolarHBondContact O-OG 3.06Å; Q144-S146 VanDerWaalsContact C-N 3.31Å; Q144-S146 PolarHBondContact O-N 3Å
147S30.9Very low29.9Very low71 Ų71138.8 Ų138.850%0.49772%0.715SS.*THydrogen-bonded Turntrans-80.5-29.4-177.946.20000113.5R143 Q144R143-S147 PolarHBondContact O-OG 3.13Å; Q144-S147 PolarHBondContact O-OG 3.11Å
148F30.8Very low29.9Very low191 Ų191140.4 Ų140.484%0.83872%0.718SS**THydrogen-bonded Turntrans-82.4-15.3-174.7-144.1-96.4000114.1
149K32.6Very low29.7Very low180 Ų180140.9 Ų140.978%0.78373%0.725SS**THydrogen-bonded Turntrans-102.81.4177.3-74.1-179.6176.3172.60114.5
150A30.9Very low29.6Very low65 Ų65139.5 Ų139.554%0.53773%0.727SS.*SBendtrans-89.2-17.6-174.800000114.9
151N29.2Very low29.2Very low153 Ų153139.5 Ų139.582%0.81874%0.735SS**SBendtrans-101.64.2-172.9-79-7.9000115.2
152L30.2Very low29.1Very low158 Ų158137.3 Ų137.383%0.82773%0.729SS**SBendtrans-96.2-1.1179.4-12274.3000114.6
153N25.6Very low28.9Very low140 Ų140139.2 Ų139.275%0.74973%0.731SS**  trans-110.268.6-177.3-73.3-10.7000111.9
154N27.1Very low28.6Very low155 Ų155137 Ų13783%0.82973%0.732SS**SBendtrans-159.6146.5158.5-94.8-49.1000109.3
155V28Very low28.4Very low144 Ų144139.1 Ų139.187%0.87374%0.735SS**  trans64.453.9-178.1-156.90000114.5
156T24.6Very low28Very low131 Ų131137 Ų13780%0.80473%0.729SS**  trans-90111.7136.451.30000108
157D26.1Very low27.8Very low138 Ų138141.1 Ų141.174%0.73874%0.74SS**  trans-171.3149.7141.1-103.5-32000112.4
158H28.8Very low27.6Very low160 Ų160146.5 Ų146.574%0.74176%0.757SS**  trans72.1107.1168.2-58.9-47.8000121.5
159L26.8Very low27.2Very low146 Ų146141.8 Ų141.876%0.76475%0.748SS**  83.888.8129.4-61.1171000121.4
160T27.8Very low26.8Very low119 Ų119141.6 Ų141.673%0.7375%0.754SS**  47.7103.6120.757.20000121.4
161S23.3Very low26.4Very low107 Ų107144.1 Ų144.175%0.74876%0.763SS**  trans-1.9162.8134.261.40000121.7
162P30.4Very low26.2Very low98 Ų98143.9 Ų143.964%0.63677%0.767SS**  cis-135.4-146.9-30.839.9-21.2000111.5
163Y28.5Very low25.9Very low197 Ų197141.9 Ų141.977%0.77377%0.766SS**  trans99.1105170.4-65-71.5000118.6
164D23.8Very low25.9Very low128 Ų128140.3 Ų140.368%0.68477%0.766SS**  69.6127.2117.9-71.88.3000125
165Y26.6Very low25.8Very low205 Ų205138.2 Ų138.280%0.80476%0.763SS**  trans78.2138.8143.6-84.4-73.5000123.6
166D24.8Very low25.6Very low121 Ų121139.2 Ų139.265%0.64776%0.763SS**  trans75108154.7-64.3-31.3000123.2
167H26.2Very low25.6Very low157 Ų157138.3 Ų138.373%0.72776%0.76SS**  33.2118.4127.5-62.2-66.7000119.5
168H27.3Very low25.4Very low183 Ų183137.1 Ų137.185%0.84776%0.762SS**  -159.4146.994.5-107.7-71.2000114.4
169S22.1Very low25.2Very low93 Ų93136 Ų13665%0.6576%0.76SS**  trans-69.8139-179.251.30000115.3
170I25.1Very low25Very low175 Ų175135.5 Ų135.590%0.89776%0.763SS**  trans-130.6135.1142-63.3-175.6000108.1
171T22.7Very low24.9Very low119 Ų119137.1 Ų137.173%0.7377%0.765SS**  trans-103139.7-173.548.20000113
172T25Very low24.9Very low148 Ų148135.4 Ų135.491%0.90875%0.753SS**  trans-135.9132.9154490000108.6
173S22.8Very low24.8Very low115 Ų115136.8 Ų136.880%0.80476%0.759SS**  trans-134.1129.1-159.954.60000114.2
174S26.3Very low24.8Very low108 Ų108131.5 Ų131.576%0.75575%0.751SS**  trans-167.192.7159.552.50000108.5
175S24.7Very low25Very low110 Ų110131.8 Ų131.877%0.76975%0.752SS**  70.6102.48169.70000113.8
176L23.5Very low25.2Very low165 Ų165126.8 Ų126.886%0.86474%0.738SS**  trans-76.6148.8169.5-71.373.6000110.8
177P24.3Very low25.4Very low113 Ų113127.1 Ų127.173%0.73474%0.735SS**  trans-83.5121.4151.532.7-27.8000110
178S22.8Very low25.5Very low113 Ų113123.7 Ų123.779%0.7973%0.729SS**  trans-88.2110.9169.5550000110
179I24.4Very low25.7Very low136 Ų136121.9 Ų121.970%0.69772%0.719SS**  trans-102.8112179.7-60.7179.8000110.3M181I179-M181 HydrophobicContact CG2-CE 4.33Å; I179-M181 HydrophobicContact CG2-CG 4.19Å
180T23.3Very low26.1Very low136 Ų136121.6 Ų121.683%0.83471%0.71SS**  trans-89.6123174.2-31.80000109.3
181M25Very low26.3Very low153 Ų153119.1 Ų119.175%0.75470%0.695SS**  trans-117.2114.7179-89.3-65.9161.300114.5I179I179-M181 HydrophobicContact CG2-CE 4.33Å; I179-M181 HydrophobicContact CG2-CG 4.19Å
182S24.6Very low26.7Very low71 Ų71116.3 Ų116.350%0.49768%0.68SS.*  trans23.9107.5152.854.20000119.4S184S182-S184 PolarHBondContact O-N 3.44Å; S182-S184 VanDerWaalsContact O-N 3.08Å
183T28.1Very low27Very low126 Ų126113.5 Ų113.577%0.77366%0.658SS**THydrogen-bonded Turntrans-70.26.7172.945.50000115.7
184S28.3Very low27.3Very low86 Ų86113.3 Ų113.360%0.60165%0.645SS**THydrogen-bonded Turntrans-78.1-31-171.8500000114.9S182S182-S184 PolarHBondContact O-N 3.44Å; S182-S184 VanDerWaalsContact O-N 3.08Å
185L27.9Very low27.5Very low135 Ų135111.8 Ų111.871%0.70763%0.634SS**SBendtrans-76.5-25-176.3-66.5171.7000113.2H187 S188 F189L185-H187 VanDerWaalsContact C-N 3.27Å; L185-H187 PolarHBondContact O-N 3.27Å; L185-S188 PolarHBondContact O-N 2.97Å; L185-F189 PolarHBondContact O-N 3.47Å
186I30.2Very low27.8Very low99 Ų99111.6 Ų111.651%0.50862%0.623SS.*Hα-helixtrans-62.5-32.9-176.1-62.9171.8000111.8F189 N190I186-F189 PolarHBondContact O-N 2.89Å; I186-N190 WeakPolarHBondContact CG2-ND2 3.49Å; I186-N190 WeakPolarHBondContact O-CB 3.27Å; I186-N190 PolarHBondContact O-N 3.09Å
187H29.5Very low28.1Very low129 Ų129106.3 Ų106.360%0.59760%0.6SS**Hα-helixtrans-69.7-37.7-176.8-153.5-63.2000112.9L185 E191L185-H187 VanDerWaalsContact C-N 3.27Å; L185-H187 PolarHBondContact O-N 3.27Å; H187-E191 IonicContact CE1-OE1 3.16Å; H187-E191 PolarHBondContact CE1-OE1 3.48Å; H187-E191 IonicContact ND1-OE1 2.72Å; H187-E191 PolarHBondContact ND1-OE1 2.96Å; H187-E191 VanDerWaalsContact ND1-OE1 3.16Å; H187-E191 PolarHBondContact O-N 3.28Å
188S28.9Very low28.4Very low85 Ų85106.5 Ų106.559%0.59459%0.591SS**Hα-helixtrans-72.6-34.2177.7-175.30000112.2L185 S192L185-S188 PolarHBondContact O-N 2.97Å; S188-S192 PolarHBondContact O-N 2.8Å; S188-S192 PolarHBondContact O-OG 3.38Å
189F29.9Very low28.7Very low145 Ų145107.8 Ų107.864%0.63659%0.585SS**Hα-helixtrans-73.3-40.6177.6-141.2-103.3000111.7L185 I186 E191 S192 I193L185-F189 PolarHBondContact O-N 3.47Å; I186-F189 PolarHBondContact O-N 2.89Å; F189-E191 PolarHBondContact O-N 3.3Å; F189-S192 WeakPolarHBondContact O-CB 3.25Å; F189-S192 PolarHBondContact O-N 3.11Å; F189-I193 HydrophobicContact CD1-CD1 3.73Å; F189-I193 HydrophobicContact CD1-CG1 4.42Å; F189-I193 HydrophobicContact CE1-CD1 3.95Å; F189-I193 WeakPolarHBondContact O-CG1 3.46Å; F189-I193 PolarHBondContact O-N 3.05Å
190N30.1Very low29Very low87 Ų87108.9 Ų108.947%0.46558%0.581SS.*Hα-helixtrans-65.8-34175.7-83-18.3000113.3I186 I193 Q194I186-N190 WeakPolarHBondContact CG2-ND2 3.49Å; I186-N190 WeakPolarHBondContact O-CB 3.27Å; I186-N190 PolarHBondContact O-N 3.09Å; N190-I193 PolarHBondContact O-N 3.43Å; N190-Q194 VanDerWaalsContact O-CB 3.25Å; N190-Q194 WeakPolarHBondContact O-CB 3.33Å; N190-Q194 VanDerWaalsContact O-CG 3.23Å; N190-Q194 WeakPolarHBondContact O-CG 3.38Å; N190-Q194 PolarHBondContact O-N 3.06Å
191E30.6Very low29.3Very low123 Ų123107.8 Ų107.858%0.57557%0.57SS**Hα-helixtrans-67-37.3172.5-78.9-179.5-158.100112.2H187 F189 S195H187-E191 IonicContact CE1-OE1 3.16Å; H187-E191 PolarHBondContact CE1-OE1 3.48Å; H187-E191 IonicContact ND1-OE1 2.72Å; H187-E191 PolarHBondContact ND1-OE1 2.96Å; H187-E191 VanDerWaalsContact ND1-OE1 3.16Å; H187-E191 PolarHBondContact O-N 3.28Å; F189-E191 PolarHBondContact O-N 3.3Å; E191-S195 VanDerWaalsContact O-CB 3.3Å; E191-S195 WeakPolarHBondContact O-CB 3.2Å; E191-S195 PolarHBondContact O-N 3.32Å
192S29.8Very low29.5Very low60 Ų60104.8 Ų104.842%0.4256%0.563SS.*Hα-helixtrans-65.1-43.6173.6-58.60000111.7S188 F189 S195 I196S188-S192 PolarHBondContact O-N 2.8Å; S188-S192 PolarHBondContact O-OG 3.38Å; F189-S192 WeakPolarHBondContact O-CB 3.25Å; F189-S192 PolarHBondContact O-N 3.11Å; S192-S195 WeakPolarHBondContact O-CB 3.47Å; S192-S195 PolarHBondContact O-N 3.41Å; S192-I196 WeakPolarHBondContact O-CB 3.47Å; S192-I196 WeakPolarHBondContact O-CD1 3.37Å; S192-I196 VanDerWaalsContact O-CG1 3.28Å; S192-I196 WeakPolarHBondContact O-CG1 3.39Å; S192-I196 PolarHBondContact O-N 3.15Å
193I31.7Very low29.8Very low88 Ų88105.3 Ų105.345%0.45157%0.567SS.*Hα-helixtrans-70.3-37.3177.5-68175.2000111.8F189 N190 S197F189-I193 HydrophobicContact CD1-CD1 3.73Å; F189-I193 HydrophobicContact CD1-CG1 4.42Å; F189-I193 HydrophobicContact CE1-CD1 3.95Å; F189-I193 WeakPolarHBondContact O-CG1 3.46Å; F189-I193 PolarHBondContact O-N 3.05Å; N190-I193 PolarHBondContact O-N 3.43Å; I193-S197 WeakPolarHBondContact O-CB 3.29Å; I193-S197 PolarHBondContact O-N 2.93Å
194Q30.2Very low29.8Very low112 Ų112104 Ų10452%0.52356%0.555SS.*Hα-helixtrans-60.8-44170.1-80.5-81.9-9.700111.3N190 S197 Q198N190-Q194 VanDerWaalsContact O-CB 3.25Å; N190-Q194 WeakPolarHBondContact O-CB 3.33Å; N190-Q194 VanDerWaalsContact O-CG 3.23Å; N190-Q194 WeakPolarHBondContact O-CG 3.38Å; N190-Q194 PolarHBondContact O-N 3.06Å; Q194-S197 PolarHBondContact O-N 3.28Å; Q194-Q198 WeakPolarHBondContact O-CB 3.45Å; Q194-Q198 WeakPolarHBondContact O-CG 3.42Å; Q194-Q198 PolarHBondContact O-N 3.05Å
195S29.8Very low29.8Very low76 Ų76107.8 Ų107.853%0.53157%0.568SS.*Hα-helixtrans-61.3-51.2176.7-175.50000111.6E191 S192 S197 Q198 H199E191-S195 VanDerWaalsContact O-CB 3.3Å; E191-S195 WeakPolarHBondContact O-CB 3.2Å; E191-S195 PolarHBondContact O-N 3.32Å; S192-S195 WeakPolarHBondContact O-CB 3.47Å; S192-S195 PolarHBondContact O-N 3.41Å; S195-S197 PolarHBondContact O-N 3.38Å; S195-Q198 PolarHBondContact O-N 2.96Å; S195-H199 VanDerWaalsContact O-CB 3.22Å; S195-H199 WeakPolarHBondContact O-CB 3.44Å; S195-H199 PolarHBondContact O-N 3.04Å
196I30.7Very low29.9Very low105 Ų105106.8 Ų106.854%0.53856%0.562SS.*Hα-helixtrans-62.6-42.2178.6-67.3163.5000110.9S192 H199 Y200S192-I196 WeakPolarHBondContact O-CB 3.47Å; S192-I196 WeakPolarHBondContact O-CD1 3.37Å; S192-I196 VanDerWaalsContact O-CG1 3.28Å; S192-I196 WeakPolarHBondContact O-CG1 3.39Å; S192-I196 PolarHBondContact O-N 3.15Å; I196-H199 PolarHBondContact O-N 2.84Å; I196-Y200 HydrophobicContact CG2-CD2 4.39Å; I196-Y200 WeakPolarHBondContact O-CB 3.43Å; I196-Y200 PolarHBondContact O-N 2.87Å
197S30.5Very low29.7Very low54 Ų54107.3 Ų107.338%0.37857%0.572SS.*Hα-helixtrans-61.7-51176.8178.30000112.2I193 Q194 S195 H199 Y200 L201I193-S197 WeakPolarHBondContact O-CB 3.29Å; I193-S197 PolarHBondContact O-N 2.93Å; Q194-S197 PolarHBondContact O-N 3.28Å; S195-S197 PolarHBondContact O-N 3.38Å; S197-H199 VanDerWaalsContact C-N 3.33Å; S197-H199 PolarHBondContact O-N 2.95Å; S197-Y200 PolarHBondContact O-N 3.28Å; S197-L201 WeakPolarHBondContact O-CB 3.47Å; S197-L201 WeakPolarHBondContact O-CG 3.47Å; S197-L201 PolarHBondContact O-N 3.25Å
198Q29.3Very low29.5Very low117 Ų117106.5 Ų106.555%0.54758%0.581SS.*Hα-helixtrans-68.2-32.1178.9-67.8-178.431.500112.1Q194 S195 S202Q194-Q198 WeakPolarHBondContact O-CB 3.45Å; Q194-Q198 WeakPolarHBondContact O-CG 3.42Å; Q194-Q198 PolarHBondContact O-N 3.05Å; S195-Q198 PolarHBondContact O-N 2.96Å; Q198-S202 VanDerWaalsContact O-CB 3.3Å; Q198-S202 WeakPolarHBondContact O-CB 3.22Å; Q198-S202 PolarHBondContact O-N 3Å; Q198-S202 PolarHBondContact O-OG 3.15Å
199H29.4Very low29.4Very low141 Ų141109.8 Ų109.865%0.65359%0.592SS**Hα-helixtrans-73.5-27.2174.7-155.7-42.2000112.8S195 I196 S197S195-H199 VanDerWaalsContact O-CB 3.22Å; S195-H199 WeakPolarHBondContact O-CB 3.44Å; S195-H199 PolarHBondContact O-N 3.04Å; I196-H199 PolarHBondContact O-N 2.84Å; S197-H199 VanDerWaalsContact C-N 3.33Å; S197-H199 PolarHBondContact O-N 2.95Å
200Y30.6Very low29.3Very low158 Ų158112.5 Ų112.562%0.6260%0.604SS**Hα-helixtrans-74.8-49.6168-107.1-97.1000111.6I196 S197 S202 S203I196-Y200 HydrophobicContact CG2-CD2 4.39Å; I196-Y200 WeakPolarHBondContact O-CB 3.43Å; I196-Y200 PolarHBondContact O-N 2.87Å; S197-Y200 PolarHBondContact O-N 3.28Å; Y200-S202 VanDerWaalsContact C-N 3.33Å; Y200-S202 PolarHBondContact O-N 2.72Å; Y200-S203 WeakPolarHBondContact O-CB 3.45Å; Y200-S203 PolarHBondContact O-N 2.99Å; Y200-S203 PolarHBondContact O-OG 3.15Å
201L29.2Very low29.2Very low114 Ų114115 Ų11560%0.59762%0.616SS**Hα-helixtrans-64.2-34.3-177.2-72.1167.5000113S197 S203 I204S197-L201 WeakPolarHBondContact O-CB 3.47Å; S197-L201 WeakPolarHBondContact O-CG 3.47Å; S197-L201 PolarHBondContact O-N 3.25Å; L201-S203 PolarHBondContact O-N 3.23Å; L201-I204 PolarHBondContact O-N 3.46Å
202S30.4Very low28.9Very low89 Ų89118.1 Ų118.162%0.62263%0.629SS**THydrogen-bonded Turntrans-74.5-10172.755.70000114.4Q198 Y200Q198-S202 VanDerWaalsContact O-CB 3.3Å; Q198-S202 WeakPolarHBondContact O-CB 3.22Å; Q198-S202 PolarHBondContact O-N 3Å; Q198-S202 PolarHBondContact O-OG 3.15Å; Y200-S202 VanDerWaalsContact C-N 3.33Å; Y200-S202 PolarHBondContact O-N 2.72Å
203S30.2Very low28.7Very low83 Ų83123.7 Ų123.758%0.5865%0.649SS**THydrogen-bonded Turntrans-92.2-2.5175.274.30000114Y200 L201Y200-S203 WeakPolarHBondContact O-CB 3.45Å; Y200-S203 PolarHBondContact O-N 2.99Å; Y200-S203 PolarHBondContact O-OG 3.15Å; L201-S203 PolarHBondContact O-N 3.23Å
204I29.1Very low28.3Very low98 Ų98127.2 Ų127.250%0.50367%0.668SS.*  trans-100.995.4176.1-43.8179000109.5L201 I206L201-I204 PolarHBondContact O-N 3.46Å; I204-I206 HydrophobicContact CB-CG1 4.41Å; I204-I206 HydrophobicContact CG2-CD1 4.15Å; I204-I206 HydrophobicContact CG2-CG1 3.57Å; I204-I206 PolarHBondContact O-N 3.17Å
205N28.5Very low28Very low165 Ų165127.7 Ų127.788%0.88268%0.678SS**  trans-70.774.4170.3-92.7-15.9000110.9
206I29.9Very low27.8Very low114 Ų114130.4 Ų130.459%0.58569%0.692SS**  trans-73.9127.9166.6-53-175.7000108I204 S208I204-I206 HydrophobicContact CB-CG1 4.41Å; I204-I206 HydrophobicContact CG2-CD1 4.15Å; I204-I206 HydrophobicContact CG2-CG1 3.57Å; I204-I206 PolarHBondContact O-N 3.17Å; I206-S208 PolarHBondContact O-N 3.34Å; I206-S208 VanDerWaalsContact O-N 3.08Å
207P25.2Very low27.5Very low110 Ų110134.3 Ų134.371%0.71471%0.708SS**  trans-56.4117.2174.9-26.435.4000111.3N209P207-N209 PolarHBondContact O-N 3.44Å
208S25.9Very low27.3Very low112 Ų112138.5 Ų138.578%0.78373%0.731SS**SBendtrans-76.362.4-171.862.20000112.7I206I206-S208 PolarHBondContact O-N 3.34Å; I206-S208 VanDerWaalsContact O-N 3.08Å
209N26.5Very low27.1Very low154 Ų154141 Ų14182%0.82475%0.748SS**SBendtrans-152.135.6-177.2-109.5-25.5000114.2P207P207-N209 PolarHBondContact O-N 3.44Å
210K28.4Very low26.8Very low203 Ų203142.1 Ų142.188%0.88376%0.759SS**SBendtrans-158.230.1166-117.6164.8-170.7176.50115.9
211I26.4Very low26.6Very low140 Ų140139.7 Ų139.772%0.71877%0.765SS**  trans-109.876177.5-51.7178.6000109.8
212H25.4Very low26.3Very low187 Ų187139.8 Ų139.887%0.86677%0.774SS**  trans-158.348.9171.9-100.4-55.5000112.9
213H25.5Very low26.1Very low178 Ų178142.8 Ų142.882%0.82478%0.782SS**SBendtrans-157.9153.4158.4-125.7-89.4000110
214L24.3Very low25.9Very low162 Ų162147.1 Ų147.185%0.84879%0.793SS**  trans62.250.2-177.4-68.684.4000115.5
215T23.7Very low25.7Very low122 Ų122146.7 Ų146.775%0.74880%0.798SS**  trans-88.9154.8133.6520000109
216T24.1Very low25.4Very low132 Ų132145.6 Ų145.681%0.8179%0.791SS**  trans58.695.8173.264.10000117.4
217E24.6Very low25.2Very low187 Ų187146.6 Ų146.687%0.87480%0.797SS**  trans-158.9166.3140-116167.7-141.500109.2
218T27Very low25.3Very low142 Ų142148.6 Ų148.687%0.87180%0.797SS**SBendtrans60.762-176.261.50000116.7
219N24.1Very low25.3Very low169 Ų169148.4 Ų148.490%0.90479%0.791SS**  trans-148.579151.9-145.62000110
220D24.7Very low25.4Very low165 Ų165147.4 Ų147.488%0.88279%0.785SS**  trans-150.883.7-176.6-149-11000112.8
221S25Very low25.3Very low108 Ų108143.2 Ų143.276%0.75578%0.777SS**  trans-151125.1156.166.60000110.8
222C23.5Very low25.3Very low116 Ų116141.7 Ų141.778%0.78477%0.774SS**SBendtrans63.486.9163.9-65.50000117.9
223I26.7Very low25.4Very low152 Ų152138.4 Ų138.478%0.77977%0.768SS**  167.2134.693.2-86.7154.4000112
224H25Very low25.6Very low174 Ų174135 Ų13581%0.80676%0.76SS**  trans21.5135.6155.3-72.5-105.4000121.2
225S24.7Very low25.8Very low88 Ų88134.5 Ų134.562%0.61576%0.758SS**  cis-179174.14.551.70000114
226L23.8Very low26.2Very low142 Ų142133.3 Ų133.374%0.74376%0.755SS**  trans78.3111153.3-70.4160000120.4
227L25Very low26.4Very low136 Ų136132 Ų13271%0.71275%0.751SS**  trans70.5139140.3-53.9170.2000119
228H27.5Very low26.6Very low152 Ų152128.2 Ų128.270%0.70475%0.745SS**  cis-173.4135.9-21.2-125-5.3000109.7
229T26.4Very low26.8Very low108 Ų108128 Ų12866%0.66374%0.744SS**  trans59.6148.6148.560.20000120.4
230N26.8Very low27Very low132 Ų132128.4 Ų128.471%0.70674%0.742SS**  cis-169.6143.8-2.5-110.51.2000112.2
231T27.3Very low27.6Very low115 Ų115125 Ų12571%0.70673%0.73SS**  trans50.6149.7137.266.20000123.3
232T27.2Very low27.8Very low108 Ų108126.9 Ų126.966%0.66373%0.73SS**  cis-177.8155.1-8.128.80000111.7
233T27.5Very low28.1Very low119 Ų119127.9 Ų127.973%0.7373%0.727SS**  trans63.2154.7145.255.80000121.2
234T29Very low28.2Very low107 Ų107125.4 Ų125.466%0.65672%0.719SS**  cis-173.4153.1-8.327.50000112.8
235N29.2Very low28.4Very low150 Ų150123 Ų12380%0.80272%0.717SS**  trans63.5157.5145.1-65.42.8000121.1
236S30.4Very low28.7Very low98 Ų98126 Ų12669%0.68573%0.726SS**  cis-172156.8-13.549.10000115
237S29.7Very low28.8Very low104 Ų104124.6 Ų124.673%0.72772%0.723SS**  trans71.714214262.90000126.6
238S27.9Very low29.1Very low108 Ų108123.9 Ų123.976%0.75573%0.725SS**  trans79152.4152.580.20000119.4
239T31.1Very low29Very low138 Ų138123 Ų12385%0.84773%0.73SS**  cis-155.1-178.6-1-12.80000113.2
240M28.1Very low29.2Very low176 Ų176123.3 Ų123.387%0.86774%0.737SS**  trans-105.3-169.7-176-106.7-165-175.900113.5
241P37.3Very low29.3Very low95 Ų95122.4 Ų122.462%0.61774%0.741SS**  cis-142.7-161.1-4241.2-21.4000115.2
242I29.4Very low29.4Very low147 Ų147122.9 Ų122.975%0.75475%0.749SS**  trans78.1135.7156.9-70.9168.3000117
243N30.8Very low29.4Very low137 Ų137126.2 Ų126.273%0.73376%0.759SS**  -174.7151.468-1456.2000118.8
244T28.5Very low29.6Very low100 Ų100129.7 Ų129.761%0.61377%0.769SS**  trans52.3110.6144.245.50000128
245T28Very low29.7Very low123 Ų123129.4 Ų129.476%0.75577%0.77SS**  47.7130.5119.463.20000125.4
246N31.3Very low29.6Very low152 Ų152129.2 Ų129.281%0.81377%0.767SS**  trans-153.5-173.3134.5-129.9-87.1000115.5
247T26.5Very low29.6Very low111 Ų111132.3 Ų132.368%0.68178%0.776SS**  trans-151.3179.5-152.958.30000117.1
248T30.2Very low29.3Very low121 Ų121132.3 Ų132.374%0.74277%0.771SS**  trans94.591.2159.3630000123.7
249T25.8Very low29.4Very low133 Ų133133.1 Ų133.182%0.81677%0.772SS**  24.9129.8120.5570000124.2
250S31.1Very low29.3Very low116 Ų116133.1 Ų133.181%0.81177%0.767SS**  trans159.5146131.445.50000110.9
251S29Very low29.3Very low112 Ų112130.4 Ų130.478%0.78376%0.76SS**  cis132110.2-964.40000111.3
252S30.4Very low28.6Very low125 Ų125131.6 Ų131.687%0.87477%0.766SS**  trans-162.3159.315966.30000112.6
253M27Very low28.5Very low178 Ų178131.7 Ų131.788%0.87777%0.773SS**  trans-136.9157.9-177.4-55.5167.17200110.4
254M31.6Very low28.1Very low192 Ų192131.4 Ų131.495%0.94678%0.777SS**  trans-151.1137.6150.5-83.9-146.1169.800112.5
255P31.6Very low28.1Very low102 Ų102133.5 Ų133.566%0.66279%0.79SS**  trans-128.7176.6-176.745.2-34000116
256I26.3Very low28.1Very low146 Ų146132.5 Ų132.575%0.74979%0.788SS**  trans67.1127.8154.1-68.3154.9000119.3
257N30Very low27.8Very low163 Ų163131.2 Ų131.287%0.87279%0.791SS**  -150.5161.2129-142.2-17.9000111.6
258T24.2Very low28Very low103 Ų103131.2 Ų131.263%0.63279%0.791SS**  trans-133.4179.2-156.4-22.20000113.7
259T29.4Very low28.1Very low125 Ų125128.3 Ų128.377%0.76779%0.785SS**  trans74.7150.9178.2820000113.9
260N28.8Very low28.7Very low139 Ų139128.8 Ų128.874%0.74378%0.782SS**  cis-161.1166.9-5.3-129.7-1.3000108.3
261T28.5Very low29.2Very low118 Ų118127.8 Ų127.872%0.72477%0.771SS**  cis-150.9-167.87.4-25.60000109.4
262T23.4Very low30.1Very low121 Ų121127 Ų12774%0.74276%0.759SS**  trans-82.5144.4176.644.40000115.7
263T26.4Very low31.5Very low148 Ų148124.8 Ų124.891%0.90874%0.743SS**  trans-169.2156.51347.60000111.9
264T22.4Very low33.1Very low132 Ų132121.3 Ų121.381%0.8173%0.727SS**  trans-109.1127.1-172.649.70000113.1
265T27.7Very low34.5Very low144 Ų144113 Ų11388%0.88369%0.687SS**  trans-159.1157.7155.611.40000112.9
266S28.4Very low36.3Very low102 Ų102111.1 Ų111.171%0.71367%0.671SS**  trans-52.5143.3-176.748.90000117.3
267S26.3Very low38.5Very low124 Ų124107.3 Ų107.387%0.86766%0.658SS**  trans-100.9100.217543.10000113.3
268T30.4Very low40.3Very low112 Ų112101.5 Ų101.569%0.68763%0.626SS**  trans-135.8-8.7176.539.50000115.5N270T268-N270 PolarHBondContact O-N 3.44Å
269G32Very low42.6Very low60 Ų6096.6 Ų96.662%0.61960%0.596SS**THydrogen-bonded Turntrans-79.18.1-163.400000119.4
270N38.4Very low44.7Very low142 Ų14294.4 Ų94.476%0.75958%0.58SS**THydrogen-bonded Turntrans-104-7.4-169.6-82.718000116.1T268T268-N270 PolarHBondContact O-N 3.44Å
271T42.2Very low46.8Very low95 Ų9591.8 Ų91.858%0.58356%0.562SS**SBendtrans-83.8-41.817839.30000112.5S273 I274 T275T271-S273 PolarHBondContact O-N 3.11Å; T271-I274 PolarHBondContact O-N 3.3Å; T271-T275 PolarHBondContact O-N 3.19Å
272D46.7Very low49Very low97 Ų9786.4 Ų86.452%0.51953%0.528SS..Hα-helixtrans-77.6-30.4-160.2-53-4.1000111.6I274 T275 D276D272-I274 VanDerWaalsContact C-N 3.25Å; D272-I274 PolarHBondContact O-N 2.84Å; D272-T275 WeakPolarHBondContact CA-OG1 3.43Å; D272-T275 PolarHBondContact O-N 2.96Å; D272-T275 PolarHBondContact O-OG1 3.1Å; D272-D276 PolarHBondContact O-N 3.28Å
273S60.2Low51.5Low78 Ų7882.1 Ų82.155%0.54550%0.501SS..Hα-helixtrans-64.9-26.8173.759.60000113.5T271 S277T271-S273 PolarHBondContact O-N 3.11Å; S273-S277 WeakPolarHBondContact O-CB 3.46Å; S273-S277 PolarHBondContact O-N 2.82Å
274I60.2Low53.9Low105 Ų10578.6 Ų78.654%0.53848%0.482SS..Hα-helixtrans-76.4-39.3176-58.3177.2000110T271 D272 I278T271-I274 PolarHBondContact O-N 3.3Å; D272-I274 VanDerWaalsContact C-N 3.25Å; D272-I274 PolarHBondContact O-N 2.84Å; I274-I278 HydrophobicContact CG2-CD1 4.06Å; I274-I278 VanDerWaalsContact O-CG1 3.31Å; I274-I278 WeakPolarHBondContact O-CG1 3.27Å; I274-I278 PolarHBondContact O-N 3.28Å
275T62.2Low56.4Low17 Ų1774.5 Ų74.510%0.10445%0.452CS..Hα-helixtrans-69.8-42.7176.642.50000112.1T271 D272 S277 I278 V279 H323 L330T271-T275 PolarHBondContact O-N 3.19Å; D272-T275 WeakPolarHBondContact CA-OG1 3.43Å; D272-T275 PolarHBondContact O-N 2.96Å; D272-T275 PolarHBondContact O-OG1 3.1Å; T275-S277 VanDerWaalsContact C-N 3.35Å; T275-S277 PolarHBondContact O-N 3.36Å; T275-I278 PolarHBondContact O-N 3.48Å; T275-V279 WeakPolarHBondContact O-CG2 3.37Å; T275-V279 PolarHBondContact O-N 3.27Å; T275-H323 WeakPolarHBondContact CB-NE2 3.46Å; T275-H323 PolarHBondContact OG1-CE1 3.32Å; T275-H323 PolarHBondContact OG1-NE2 3.48Å; T275-L330 HydrophobicContact CG2-CD1 4.14Å
276D69Low58.7Low62 Ų6267.9 Ų67.933%0.33241%0.412SS..Hα-helixtrans-57.4-45.7173-95-44.6000111.7D272 I278 V279 D280 K319D272-D276 PolarHBondContact O-N 3.28Å; D276-I278 VanDerWaalsContact C-N 3.28Å; D276-I278 PolarHBondContact O-N 3.48Å; D276-V279 PolarHBondContact O-N 3.34Å; D276-V279 VanDerWaalsContact O-N 3.14Å; D276-D280 PolarHBondContact O-N 3.08Å; D276-K319 WeakPolarHBondContact OD1-CE 3.41Å; D276-K319 IonicContact OD1-NZ 3.01Å; D276-K319 PolarHBondContact OD1-NZ 3.26Å
277S71Confident60.8Low67 Ų6769.7 Ų69.747%0.46941%0.409SS..Hα-helixtrans-62-32.5178.2-173.10000113.6S273 T275 K281S273-S277 WeakPolarHBondContact O-CB 3.46Å; S273-S277 PolarHBondContact O-N 2.82Å; T275-S277 VanDerWaalsContact C-N 3.35Å; T275-S277 PolarHBondContact O-N 3.36Å; S277-K281 WeakPolarHBondContact O-CB 3.21Å; S277-K281 WeakPolarHBondContact O-CG 3.34Å; S277-K281 PolarHBondContact O-N 3.41Å
278I69.5Low63Low41 Ų4170.6 Ų70.621%0.2140%0.399CS..Hα-helixtrans-76.1-39.3174.7-67.7167.2000111.1I274 T275 D276 K281 F282 I326 L330 L341I274-I278 HydrophobicContact CG2-CD1 4.06Å; I274-I278 VanDerWaalsContact O-CG1 3.31Å; I274-I278 WeakPolarHBondContact O-CG1 3.27Å; I274-I278 PolarHBondContact O-N 3.28Å; T275-I278 PolarHBondContact O-N 3.48Å; D276-I278 VanDerWaalsContact C-N 3.28Å; D276-I278 PolarHBondContact O-N 3.48Å; I278-K281 PolarHBondContact O-N 2.83Å; I278-F282 WeakPolarHBondContact O-CB 3.3Å; I278-F282 PolarHBondContact O-N 2.97Å; I278-I326 HydrophobicContact CG2-CG2 3.91Å; I278-L330 HydrophobicContact CD1-CD1 3.96Å; I278-L330 HydrophobicContact CD1-CD2 4.23Å; I278-L330 HydrophobicContact CG2-CD1 4.42Å; I278-L341 HydrophobicContact CG2-CD1 4.02Å
279V72Confident65Low0 Ų068.9 Ų68.90%039%0.386CS..Hα-helixtrans-61.4-49.2176.3171.10000110.6T275 D276 K281 F282 L283 L322 H323 I326T275-V279 WeakPolarHBondContact O-CG2 3.37Å; T275-V279 PolarHBondContact O-N 3.27Å; D276-V279 PolarHBondContact O-N 3.34Å; D276-V279 VanDerWaalsContact O-N 3.14Å; V279-K281 VanDerWaalsContact C-N 3.34Å; V279-K281 PolarHBondContact O-N 3.38Å; V279-F282 PolarHBondContact O-N 3.47Å; V279-F282 VanDerWaalsContact O-N 3.17Å; V279-L283 HydrophobicContact CG1-CD1 3.98Å; V279-L283 HydrophobicContact CG1-CG 4.46Å; V279-L283 WeakPolarHBondContact O-CG 3.47Å; V279-L283 PolarHBondContact O-N 3.31Å; V279-L322 HydrophobicContact CG1-CD2 4.15Å; V279-L322 HydrophobicContact CG1-CG 4.49Å; V279-H323 HydrophobicContact CG2-CB 4.44Å; V279-I326 HydrophobicContact CB-CD1 4.34Å; V279-I326 HydrophobicContact CG2-CB 4.24Å; V279-I326 HydrophobicContact CG2-CD1 3.86Å; V279-I326 HydrophobicContact CG2-CG2 4.14Å
280D73.5Confident66.7Low78 Ų7871.8 Ų71.842%0.41739%0.387SS..Hα-helixtrans-67.3-33.8-178.2-67.2-12.4000111.8D276 S284 K319D276-D280 PolarHBondContact O-N 3.08Å; D280-S284 WeakPolarHBondContact O-CB 3.27Å; D280-S284 PolarHBondContact O-N 2.99Å; D280-S284 PolarHBondContact O-OG 2.93Å; D280-K319 IonicContact OD1-NZ 3.33Å; D280-K319 PolarHBondContact OD1-NZ 2.81Å
281K72.1Confident68.1Low85 Ų8567.8 Ų67.837%0.3737%0.37SS..Hα-helixtrans-66.9-40.8170.1-83.3-172.8167.5-170.30113S277 I278 V279 S284 Y285 L341S277-K281 WeakPolarHBondContact O-CB 3.21Å; S277-K281 WeakPolarHBondContact O-CG 3.34Å; S277-K281 PolarHBondContact O-N 3.41Å; I278-K281 PolarHBondContact O-N 2.83Å; V279-K281 VanDerWaalsContact C-N 3.34Å; V279-K281 PolarHBondContact O-N 3.38Å; K281-S284 WeakPolarHBondContact O-CB 3.31Å; K281-S284 PolarHBondContact O-N 2.75Å; K281-Y285 PolarHBondContact O-N 2.93Å; K281-L341 HydrophobicContact CD-CB 4.41Å; K281-L341 PolarHBondContact NZ-O 3.24Å
282F75.5Confident69.5Low4 Ų463.6 Ų63.62%0.01834%0.344CS..Hα-helixtrans-66.2-43.2176.2176.7-106.5000111.7I278 V279 S284 Y285 V286 I292 V296 F300 L322 I326 W337I278-F282 WeakPolarHBondContact O-CB 3.3Å; I278-F282 PolarHBondContact O-N 2.97Å; V279-F282 PolarHBondContact O-N 3.47Å; V279-F282 VanDerWaalsContact O-N 3.17Å; F282-S284 VanDerWaalsContact C-N 3.31Å; F282-S284 PolarHBondContact O-N 3.22Å; F282-Y285 PolarHBondContact O-N 3.22Å; F282-V286 HydrophobicContact CD1-CG2 4.3Å; F282-V286 HydrophobicContact CD2-CG2 4.11Å; F282-V286 HydrophobicContact CE1-CG2 3.87Å; F282-V286 HydrophobicContact CE2-CG2 3.67Å; F282-V286 HydrophobicContact CG-CG2 4.44Å; F282-V286 HydrophobicContact CZ-CG2 3.55Å; F282-V286 WeakPolarHBondContact O-CG2 3.37Å; F282-V286 PolarHBondContact O-N 3.34Å; F282-I292 HydrophobicContact CZ-CG2 4.42Å; F282-V296 HydrophobicContact CE2-CG1 4.43Å; F282-V296 HydrophobicContact CZ-CG1 4.38Å; F282-F300 HydrophobicContact CZ-CE2 4.46Å; F282-L322 HydrophobicContact CD1-CD1 4.11Å; F282-L322 HydrophobicContact CE1-CD1 3.92Å; F282-I326 HydrophobicContact CB-CD1 4Å; F282-I326 HydrophobicContact CD1-CD1 3.67Å; F282-I326 HydrophobicContact CE1-CD1 4.42Å; F282-I326 HydrophobicContact CG-CD1 4.01Å; F282-W337 AromaticContact CD2-CH2 3.85Å; F282-W337 HydrophobicContact CD2-CH2 3.85Å; F282-W337 AromaticContact CD2-CZ3 3.62Å; F282-W337 HydrophobicContact CD2-CZ3 3.62Å; F282-W337 AromaticContact CE2-CH2 3.91Å; F282-W337 HydrophobicContact CE2-CH2 3.91Å; F282-W337 HydrophobicContact CE2-CZ3 4.07Å
283L76.3Confident70.5Confident31 Ų3159.9 Ų59.916%0.16233%0.325CS..Hα-helixtrans-56.5-46.5172.6-74.9170.8000111V279 Y285 V286 H287 I316 L322V279-L283 HydrophobicContact CG1-CD1 3.98Å; V279-L283 HydrophobicContact CG1-CG 4.46Å; V279-L283 WeakPolarHBondContact O-CG 3.47Å; V279-L283 PolarHBondContact O-N 3.31Å; L283-Y285 PolarHBondContact O-N 3.21Å; L283-V286 PolarHBondContact O-N 3.37Å; L283-H287 WeakPolarHBondContact O-CB 3.35Å; L283-H287 PolarHBondContact O-CD2 3.27Å; L283-H287 PolarHBondContact O-N 3.26Å; L283-I316 HydrophobicContact CD2-CG2 3.74Å; L283-L322 HydrophobicContact CD1-CD2 4.26Å; L283-L322 HydrophobicContact CD2-CD2 3.52Å; L283-L322 HydrophobicContact CG-CD2 3.87Å
284S75.4Confident70.9Confident75 Ų7561 Ų6152%0.52433%0.331SS..Hα-helixtrans-57.3-48.9175.9-57.20000111.9D280 K281 F282 V286 H287 E288D280-S284 WeakPolarHBondContact O-CB 3.27Å; D280-S284 PolarHBondContact O-N 2.99Å; D280-S284 PolarHBondContact O-OG 2.93Å; K281-S284 WeakPolarHBondContact O-CB 3.31Å; K281-S284 PolarHBondContact O-N 2.75Å; F282-S284 VanDerWaalsContact C-N 3.31Å; F282-S284 PolarHBondContact O-N 3.22Å; S284-V286 PolarHBondContact O-N 3.13Å; S284-H287 PolarHBondContact O-N 3.4Å; S284-E288 WeakPolarHBondContact O-CB 3.3Å; S284-E288 PolarHBondContact O-N 2.91Å
285Y75Confident71.1Confident45 Ų4559.9 Ų59.918%0.17633%0.332CS..Hα-helixtrans-59.9-45.2177.7177.4-86.8000112.6K281 F282 L283 E288 N289 P293 F340K281-Y285 PolarHBondContact O-N 2.93Å; F282-Y285 PolarHBondContact O-N 3.22Å; L283-Y285 PolarHBondContact O-N 3.21Å; Y285-E288 PolarHBondContact O-N 3.17Å; Y285-N289 WeakPolarHBondContact CD2-ND2 3.49Å; Y285-N289 HydrophobicContact CE1-CB 4.24Å; Y285-N289 WeakPolarHBondContact CE2-ND2 3.39Å; Y285-N289 WeakPolarHBondContact O-CB 3.3Å; Y285-N289 PolarHBondContact O-N 3.13Å; Y285-N289 PolarHBondContact O-ND2 3.46Å; Y285-P293 HydrophobicContact CE1-CG 3.69Å; Y285-F340 HydrophobicContact CD2-CE1 4.15Å; Y285-F340 AromaticContact CE2-CE1 3.9Å; Y285-F340 HydrophobicContact CE2-CE1 3.9Å; Y285-F340 AromaticContact CE2-CZ 3.9Å; Y285-F340 HydrophobicContact CE2-CZ 3.9Å
286V76Confident71.3Confident5 Ų559.2 Ų59.23%0.0333%0.328CS..Hα-helixtrans-71.3-33.6-178.6178.40000111.6F282 L283 S284 N290 I292 W312 I316F282-V286 HydrophobicContact CD1-CG2 4.3Å; F282-V286 HydrophobicContact CD2-CG2 4.11Å; F282-V286 HydrophobicContact CE1-CG2 3.87Å; F282-V286 HydrophobicContact CE2-CG2 3.67Å; F282-V286 HydrophobicContact CG-CG2 4.44Å; F282-V286 HydrophobicContact CZ-CG2 3.55Å; F282-V286 WeakPolarHBondContact O-CG2 3.37Å; F282-V286 PolarHBondContact O-N 3.34Å; L283-V286 PolarHBondContact O-N 3.37Å; S284-V286 PolarHBondContact O-N 3.13Å; V286-N290 WeakPolarHBondContact O-CA 3.34Å; V286-N290 PolarHBondContact O-N 3.31Å; V286-I292 HydrophobicContact CG1-CG1 4.07Å; V286-I292 HydrophobicContact CG2-CG1 4.06Å; V286-W312 HydrophobicContact CG1-CZ3 4.42Å; V286-I316 HydrophobicContact CB-CD1 4.31Å; V286-I316 HydrophobicContact CG1-CD1 3.64Å
287H72.8Confident71.4Confident141 Ų14157.9 Ų57.965%0.65332%0.32SS*.Hα-helixtrans-67.9-40.1171.8-79.2-59.9000112.7L283 S284L283-H287 WeakPolarHBondContact O-CB 3.35Å; L283-H287 PolarHBondContact O-CD2 3.27Å; L283-H287 PolarHBondContact O-N 3.26Å; S284-H287 PolarHBondContact O-N 3.4Å
288E73.2Confident71.3Confident143 Ų14361.7 Ų61.767%0.66833%0.328SS*.Hα-helixtrans-71-43.4179.8-176.3177-136.200112.5S284 Y285S284-E288 WeakPolarHBondContact O-CB 3.3Å; S284-E288 PolarHBondContact O-N 2.91Å; Y285-E288 PolarHBondContact O-N 3.17Å
289N71.1Confident71.1Confident75 Ų7563 Ų6340%0.40133%0.332SS..Hα-helixtrans-94-5.9-176.1-64.4-95.5000113Y285 S291Y285-N289 WeakPolarHBondContact CD2-ND2 3.49Å; Y285-N289 HydrophobicContact CE1-CB 4.24Å; Y285-N289 WeakPolarHBondContact CE2-ND2 3.39Å; Y285-N289 WeakPolarHBondContact O-CB 3.3Å; Y285-N289 PolarHBondContact O-N 3.13Å; Y285-N289 PolarHBondContact O-ND2 3.46Å; N289-S291 WeakPolarHBondContact O-CB 3.42Å; N289-S291 PolarHBondContact O-N 2.97Å
290N69Low71Confident122 Ų12263.5 Ų63.565%0.65233%0.334SS*.SBendtrans49.930.1-178.4-147.7-1.2000113.8V286V286-N290 WeakPolarHBondContact O-CA 3.34Å; V286-N290 PolarHBondContact O-N 3.31Å
291S68.3Low70.8Confident58 Ų5863.7 Ų63.741%0.40633%0.332SS..SBendtrans-160.7154.8-166-172.80000111.4N289N289-S291 WeakPolarHBondContact O-CB 3.42Å; N289-S291 PolarHBondContact O-N 2.97Å
292I69.6Low70.7Confident6 Ų664.6 Ų64.63%0.03135%0.349CS..  trans-109.5133176.8-63.4174.4000108.3F282 V286 V296 F297 W312F282-I292 HydrophobicContact CZ-CG2 4.42Å; V286-I292 HydrophobicContact CG1-CG1 4.07Å; V286-I292 HydrophobicContact CG2-CG1 4.06Å; I292-V296 HydrophobicContact CG2-CB 3.82Å; I292-V296 HydrophobicContact CG2-CG1 3.74Å; I292-F297 HydrophobicContact CG2-CB 4.35Å; I292-W312 HydrophobicContact CD1-CB 3.73Å; I292-W312 HydrophobicContact CD1-CD2 4.05Å; I292-W312 HydrophobicContact CD1-CE3 4.43Å; I292-W312 HydrophobicContact CD1-CG 3.74Å
293P68.6Low70.2Confident19 Ų1967.4 Ų67.412%0.12336%0.364CS..  trans-57.1134.5-179.5-25.835.7000111.7Y285 S295 V296 F297 W337Y285-P293 HydrophobicContact CE1-CG 3.69Å; P293-S295 PolarHBondContact O-N 3.16Å; P293-V296 HydrophobicContact CB-CG2 4.12Å; P293-V296 HydrophobicContact CG-CG2 4.29Å; P293-V296 WeakPolarHBondContact O-CA 3.37Å; P293-V296 WeakPolarHBondContact O-CB 3.49Å; P293-V296 PolarHBondContact O-N 3.15Å; P293-F297 PolarHBondContact O-N 3.35Å; P293-W337 HydrophobicContact CG-CH2 4.37Å; P293-W337 HydrophobicContact CG-CZ2 4.23Å
294P68.4Low69.7Low103 Ų10368.8 Ų68.867%0.66937%0.371SS*.Hα-helixtrans-57.9-26.1-173.4-29.636.1000115.3K298P294-K298 WeakPolarHBondContact O-CB 3.31Å; P294-K298 WeakPolarHBondContact O-CG 3.22Å; P294-K298 PolarHBondContact O-N 3.21Å
295S64.8Low69Low81 Ų8167.6 Ų67.657%0.56637%0.37SS*.Hα-helixtrans-67.9-40.1172.9480000112.9P293 K299P293-S295 PolarHBondContact O-N 3.16Å; S295-K299 PolarHBondContact O-N 2.99Å; S295-K299 VanDerWaalsContact O-N 3.16Å
296V67.2Low68.3Low2 Ų266.9 Ų66.91%0.01237%0.369CS..Hα-helixtrans-67.2-47.8173.2178.40000109.9F282 I292 P293 K298 K299 F300 L329 W337F282-V296 HydrophobicContact CE2-CG1 4.43Å; F282-V296 HydrophobicContact CZ-CG1 4.38Å; I292-V296 HydrophobicContact CG2-CB 3.82Å; I292-V296 HydrophobicContact CG2-CG1 3.74Å; P293-V296 HydrophobicContact CB-CG2 4.12Å; P293-V296 HydrophobicContact CG-CG2 4.29Å; P293-V296 WeakPolarHBondContact O-CA 3.37Å; P293-V296 WeakPolarHBondContact O-CB 3.49Å; P293-V296 PolarHBondContact O-N 3.15Å; V296-K298 VanDerWaalsContact C-N 3.34Å; V296-K298 PolarHBondContact O-N 3.5Å; V296-K299 PolarHBondContact O-N 3.45Å; V296-F300 HydrophobicContact CG1-CD2 3.76Å; V296-F300 HydrophobicContact CG1-CE1 4.48Å; V296-F300 HydrophobicContact CG1-CE2 3.44Å; V296-F300 VanDerWaalsContact CG1-CE2 3.44Å; V296-F300 HydrophobicContact CG1-CG 4.41Å; V296-F300 HydrophobicContact CG1-CZ 3.85Å; V296-F300 PolarHBondContact O-N 3.05Å; V296-L329 HydrophobicContact CG1-CD1 4.17Å; V296-W337 HydrophobicContact CG2-CH2 3.49Å; V296-W337 VanDerWaalsContact CG2-CH2 3.49Å; V296-W337 HydrophobicContact CG2-CZ2 3.07Å; V296-W337 HydrophobicContact CG2-CZ3 4.42Å
297F70.2Confident67.4Low35 Ų3575.3 Ų75.315%0.15441%0.405CS..Hα-helixtrans-57.4-47.2-179.9-170.5-93.1000111.2I292 P293 K299 F300 E301 M309I292-F297 HydrophobicContact CG2-CB 4.35Å; P293-F297 PolarHBondContact O-N 3.35Å; F297-K299 VanDerWaalsContact C-N 3.35Å; F297-K299 PolarHBondContact O-N 3.41Å; F297-F300 PolarHBondContact O-N 3.24Å; F297-E301 PolarHBondContact O-N 3.13Å; F297-M309 HydrophobicContact CD2-CE 3.84Å; F297-M309 HydrophobicContact CD2-SD 4.22Å; F297-M309 HydrophobicContact CE2-CE 4.13Å; F297-M309 HydrophobicContact CE2-CG 3.89Å; F297-M309 HydrophobicContact CE2-SD 4.05Å; F297-M309 HydrophobicContact CG-CE 4.09Å; F297-M309 HydrophobicContact CZ-CG 4.01Å
298K68.6Low66.7Low147 Ų14770.2 Ų70.264%0.63939%0.385SS*.Hα-helixtrans-61.3-35.8174.4-78.9-174.7173.9-173.70114.1P294 V296 E301 S302P294-K298 WeakPolarHBondContact O-CB 3.31Å; P294-K298 WeakPolarHBondContact O-CG 3.22Å; P294-K298 PolarHBondContact O-N 3.21Å; V296-K298 VanDerWaalsContact C-N 3.34Å; V296-K298 PolarHBondContact O-N 3.5Å; K298-E301 VanDerWaalsContact O-CB 3.31Å; K298-E301 WeakPolarHBondContact O-CB 3.44Å; K298-E301 PolarHBondContact O-N 3.04Å; K298-S302 WeakPolarHBondContact O-CB 3.5Å; K298-S302 PolarHBondContact O-N 3.38Å
299K66.1Low65.8Low68 Ų6867.5 Ų67.530%0.29637%0.374SS..Hα-helixtrans-74.3-36.3177.1-160.5102.7169.8-160.10111.4S295 V296 F297 S302 I303 L329 S332 I334S295-K299 PolarHBondContact O-N 2.99Å; S295-K299 VanDerWaalsContact O-N 3.16Å; V296-K299 PolarHBondContact O-N 3.45Å; F297-K299 VanDerWaalsContact C-N 3.35Å; F297-K299 PolarHBondContact O-N 3.41Å; K299-S302 WeakPolarHBondContact O-CB 3.38Å; K299-S302 PolarHBondContact O-N 3.47Å; K299-I303 HydrophobicContact CG-CD1 3.75Å; K299-I303 HydrophobicContact CG-CG1 4.41Å; K299-I303 WeakPolarHBondContact O-CB 3.5Å; K299-I303 WeakPolarHBondContact O-CD1 3.44Å; K299-I303 VanDerWaalsContact O-CG1 3.22Å; K299-I303 WeakPolarHBondContact O-CG1 3.41Å; K299-I303 PolarHBondContact O-N 2.83Å; K299-L329 HydrophobicContact CB-CD2 3.93Å; K299-L329 HydrophobicContact CG-CD2 3.7Å; K299-S332 WeakPolarHBondContact CE-OG 3.3Å; K299-S332 PolarHBondContact NZ-O 3.42Å; K299-I334 HydrophobicContact CB-CD1 4.36Å; K299-I334 HydrophobicContact CD-CD1 3.88Å; K299-I334 HydrophobicContact CG-CD1 3.95Å
300F68.7Low65.3Low11 Ų1171.2 Ų71.25%0.04839%0.389CS..Hα-helixtrans-64.4-38.4168.6-71.8-25.1000112.3F282 V296 F297 S302 I303 I304 L325 L329F282-F300 HydrophobicContact CZ-CE2 4.46Å; V296-F300 HydrophobicContact CG1-CD2 3.76Å; V296-F300 HydrophobicContact CG1-CE1 4.48Å; V296-F300 HydrophobicContact CG1-CE2 3.44Å; V296-F300 VanDerWaalsContact CG1-CE2 3.44Å; V296-F300 HydrophobicContact CG1-CG 4.41Å; V296-F300 HydrophobicContact CG1-CZ 3.85Å; V296-F300 PolarHBondContact O-N 3.05Å; F297-F300 PolarHBondContact O-N 3.24Å; F300-S302 VanDerWaalsContact C-N 3.28Å; F300-S302 PolarHBondContact O-N 2.73Å; F300-I303 PolarHBondContact O-N 2.75Å; F300-I304 HydrophobicContact CB-CD1 3.83Å; F300-I304 HydrophobicContact CD1-CD1 4.22Å; F300-I304 HydrophobicContact CG-CD1 4.18Å; F300-I304 WeakPolarHBondContact O-CB 3.03Å; F300-I304 WeakPolarHBondContact O-CG1 3.3Å; F300-I304 PolarHBondContact O-N 3.39Å; F300-L325 HydrophobicContact CD1-CB 4.38Å; F300-L325 HydrophobicContact CD1-CD1 4.38Å; F300-L325 HydrophobicContact CE1-CB 3.69Å; F300-L325 HydrophobicContact CE1-CD1 4.23Å; F300-L325 HydrophobicContact CE1-CG 4.44Å; F300-L325 HydrophobicContact CZ-CB 4.2Å; F300-L325 HydrophobicContact CZ-CD1 4.5Å; F300-L329 HydrophobicContact CD1-CD1 4.25Å; F300-L329 HydrophobicContact CD1-CD2 4.14Å; F300-L329 HydrophobicContact CD1-CG 4.26Å; F300-L329 HydrophobicContact CE1-CD1 3.37Å; F300-L329 HydrophobicContact CE1-CD2 3.99Å; F300-L329 HydrophobicContact CE1-CG 3.62Å; F300-L329 HydrophobicContact CZ-CD1 3.62Å; F300-L329 HydrophobicContact CZ-CG 4.37Å
301E70.7Confident64.9Low82 Ų8268.8 Ų68.838%0.38338%0.376SS..Hα-helixtrans-53.8-46.9169-125.9-163.1134.200110.8F297 K298 G305 I306F297-E301 PolarHBondContact O-N 3.13Å; K298-E301 VanDerWaalsContact O-CB 3.31Å; K298-E301 WeakPolarHBondContact O-CB 3.44Å; K298-E301 PolarHBondContact O-N 3.04Å; E301-G305 WeakPolarHBondContact O-CA 3.49Å; E301-G305 PolarHBondContact O-N 3.06Å; E301-I306 WeakPolarHBondContact CG-O 3.4Å
302S69.2Low64.8Low103 Ų10367.8 Ų67.872%0.7236%0.363SS*.Hα-helixtrans-72.1-32.7-179.1-174.60000114.4K298 K299 F300K298-S302 WeakPolarHBondContact O-CB 3.5Å; K298-S302 PolarHBondContact O-N 3.38Å; K299-S302 WeakPolarHBondContact O-CB 3.38Å; K299-S302 PolarHBondContact O-N 3.47Å; F300-S302 VanDerWaalsContact C-N 3.28Å; F300-S302 PolarHBondContact O-N 2.73Å
303I65.5Low64.6Low63 Ų6374.9 Ų74.932%0.32339%0.39SS..Hα-helixtrans-82.7-35.6-178.9-70.3160.9000112K299 F300 L325 V328 L329K299-I303 HydrophobicContact CG-CD1 3.75Å; K299-I303 HydrophobicContact CG-CG1 4.41Å; K299-I303 WeakPolarHBondContact O-CB 3.5Å; K299-I303 WeakPolarHBondContact O-CD1 3.44Å; K299-I303 VanDerWaalsContact O-CG1 3.22Å; K299-I303 WeakPolarHBondContact O-CG1 3.41Å; K299-I303 PolarHBondContact O-N 2.83Å; F300-I303 PolarHBondContact O-N 2.75Å; I303-L325 HydrophobicContact CG2-CD2 4.35Å; I303-V328 HydrophobicContact CD1-CG1 3.93Å; I303-V328 HydrophobicContact CG1-CG1 4.22Å; I303-V328 HydrophobicContact CG2-CG1 3.88Å; I303-L329 HydrophobicContact CD1-CD2 3.73Å
304I65.2Low64.6Low61 Ų6179.2 Ų79.231%0.31341%0.411SS..Hα-helixtrans-120.5-14.8-165.4-31.1159.2000112.4F300 I306 L325F300-I304 HydrophobicContact CB-CD1 3.83Å; F300-I304 HydrophobicContact CD1-CD1 4.22Å; F300-I304 HydrophobicContact CG-CD1 4.18Å; F300-I304 WeakPolarHBondContact O-CB 3.03Å; F300-I304 WeakPolarHBondContact O-CG1 3.3Å; F300-I304 PolarHBondContact O-N 3.39Å; I304-I306 VanDerWaalsContact C-N 3.29Å; I304-I306 HydrophobicContact CB-CD1 3.96Å; I304-I306 HydrophobicContact CB-CG1 3.9Å; I304-I306 HydrophobicContact CD1-CD1 3.93Å; I304-I306 HydrophobicContact CG2-CD1 3.61Å; I304-I306 HydrophobicContact CG2-CG1 3.84Å; I304-I306 PolarHBondContact O-N 2.7Å; I304-L325 HydrophobicContact CD1-CD1 3.48Å; I304-L325 VanDerWaalsContact CD1-CD1 3.48Å; I304-L325 HydrophobicContact CD1-CD2 3.41Å; I304-L325 VanDerWaalsContact CD1-CD2 3.41Å; I304-L325 HydrophobicContact CD1-CG 4.08Å; I304-L325 HydrophobicContact CG1-CD2 3.53Å
305G60.6Low64.5Low49 Ų4975 Ų7551%0.50538%0.384SS..  trans72.817.8-174.300000114.4E301 K307E301-G305 WeakPolarHBondContact O-CA 3.49Å; E301-G305 PolarHBondContact O-N 3.06Å; G305-K307 PolarHBondContact O-N 3.45Å
306I59.9Low64.6Low31 Ų3172.5 Ų72.516%0.15936%0.363CS..  trans-81.6104.6-175.7-68.8179.4000110.5E301 I304 N311 I315E301-I306 WeakPolarHBondContact CG-O 3.4Å; I304-I306 VanDerWaalsContact C-N 3.29Å; I304-I306 HydrophobicContact CB-CD1 3.96Å; I304-I306 HydrophobicContact CB-CG1 3.9Å; I304-I306 HydrophobicContact CD1-CD1 3.93Å; I304-I306 HydrophobicContact CG2-CD1 3.61Å; I304-I306 HydrophobicContact CG2-CG1 3.84Å; I304-I306 PolarHBondContact O-N 2.7Å; I306-N311 HydrophobicContact CG2-CB 3.65Å; I306-I315 HydrophobicContact CD1-CD1 3.58Å; I306-I315 HydrophobicContact CD1-CG1 4.33Å
307K57.5Low64.7Low182 Ų18280.6 Ų80.679%0.79140%0.401SS*.  trans-91.3-0.5-172.9-58179.8-175.51790115.3G305G305-K307 PolarHBondContact O-N 3.45Å
308S57.5Low64.8Low33 Ų3382.1 Ų82.123%0.23141%0.411CS..  trans-125.9144.6179.9-1750000111.5E310S308-E310 PolarHBondContact O-N 3.28Å; S308-E310 PolarHBondContact OG-N 2.81Å; S308-E310 PolarHBondContact OG-OE2 3.09Å
309M56.1Low64.9Low87 Ų8779.6 Ų79.643%0.42940%0.4SS..SBendtrans-65-26.6166.9-85.7-94.8178.500112F297 N311 W312F297-M309 HydrophobicContact CD2-CE 3.84Å; F297-M309 HydrophobicContact CD2-SD 4.22Å; F297-M309 HydrophobicContact CE2-CE 4.13Å; F297-M309 HydrophobicContact CE2-CG 3.89Å; F297-M309 HydrophobicContact CE2-SD 4.05Å; F297-M309 HydrophobicContact CG-CE 4.09Å; F297-M309 HydrophobicContact CZ-CG 4.01Å; M309-N311 PolarHBondContact O-N 3.12Å; M309-W312 VanDerWaalsContact O-CG 3.25Å; M309-W312 PolarHBondContact O-N 3.28Å; M309-W312 PolarHBondContact O-NE1 3.3Å; M309-W312 PolarHBondContact SD-NE1 2.7Å
310E59.2Low65.2Low152 Ų15281.9 Ų81.971%0.7142%0.42SS*.THydrogen-bonded Turntrans-60-38.6-174.9-66.4155.1139.200111.7S308 W312S308-E310 PolarHBondContact O-N 3.28Å; S308-E310 PolarHBondContact OG-N 2.81Å; S308-E310 PolarHBondContact OG-OE2 3.09Å; E310-W312 VanDerWaalsContact C-N 3.25Å; E310-W312 PolarHBondContact O-N 2.82Å
311N61.6Low65.4Low72 Ų7284.6 Ų84.639%0.38543%0.434SS..THydrogen-bonded Turntrans-65.1-15176.8-64.662.7000114.8I306 M309 R313 I315I306-N311 HydrophobicContact CG2-CB 3.65Å; M309-N311 PolarHBondContact O-N 3.12Å; N311-R313 VanDerWaalsContact C-N 3.29Å; N311-R313 PolarHBondContact O-N 3.48Å; N311-I315 WeakPolarHBondContact O-CG1 3.38Å; N311-I315 PolarHBondContact O-N 3.14Å
312W66.7Low65.6Low36 Ų3680.8 Ų80.814%0.13642%0.416CS..Hα-helixtrans-71.6-24-175.974.2-119.1000113.6V286 I292 M309 E310 I315 I316V286-W312 HydrophobicContact CG1-CZ3 4.42Å; I292-W312 HydrophobicContact CD1-CB 3.73Å; I292-W312 HydrophobicContact CD1-CD2 4.05Å; I292-W312 HydrophobicContact CD1-CE3 4.43Å; I292-W312 HydrophobicContact CD1-CG 3.74Å; M309-W312 VanDerWaalsContact O-CG 3.25Å; M309-W312 PolarHBondContact O-N 3.28Å; M309-W312 PolarHBondContact O-NE1 3.3Å; M309-W312 PolarHBondContact SD-NE1 2.7Å; E310-W312 VanDerWaalsContact C-N 3.25Å; E310-W312 PolarHBondContact O-N 2.82Å; W312-I315 WeakPolarHBondContact O-CB 3.41Å; W312-I315 PolarHBondContact O-N 3.31Å; W312-I316 HydrophobicContact CE3-CD1 3.73Å; W312-I316 HydrophobicContact CE3-CG1 4.38Å; W312-I316 HydrophobicContact CZ3-CD1 3.96Å; W312-I316 PolarHBondContact O-N 2.76Å; W312-I316 VanDerWaalsContact O-N 3.09Å
313R65.5Low65.7Low156 Ų15678.3 Ų78.359%0.58939%0.394SS*.Hα-helixtrans-66.7-49.4177.5-69.2178.6175.9165.2-1.3110.4N311 I315 I316 E317N311-R313 VanDerWaalsContact C-N 3.29Å; N311-R313 PolarHBondContact O-N 3.48Å; R313-I315 PolarHBondContact O-N 2.94Å; R313-I316 PolarHBondContact O-N 3.37Å; R313-E317 PolarHBondContact O-N 3.37Å
314D67.4Low66.1Low109 Ų10981 Ų8158%0.58340%0.404SS*.Hα-helixtrans-56.9-35.4174.6-49.42.6000112.3N318D314-N318 WeakPolarHBondContact O-CB 3.28Å; D314-N318 PolarHBondContact O-N 2.97Å
315I65.5Low66.4Low16 Ų1678.4 Ų78.48%0.08239%0.391CS..Hα-helixtrans-66.1-43174.5-67.6169.2000111.5I306 N311 W312 R313 N318 L321 L322 L325I306-I315 HydrophobicContact CD1-CD1 3.58Å; I306-I315 HydrophobicContact CD1-CG1 4.33Å; N311-I315 WeakPolarHBondContact O-CG1 3.38Å; N311-I315 PolarHBondContact O-N 3.14Å; W312-I315 WeakPolarHBondContact O-CB 3.41Å; W312-I315 PolarHBondContact O-N 3.31Å; R313-I315 PolarHBondContact O-N 2.94Å; I315-N318 CarbonylContact O-C 3.29Å; I315-N318 PolarHBondContact O-N 3.32Å; I315-L321 HydrophobicContact CB-CD2 4.28Å; I315-L321 HydrophobicContact CG1-CD2 3.96Å; I315-L321 HydrophobicContact CG2-CD2 3.9Å; I315-L322 HydrophobicContact CG2-CD1 4.42Å; I315-L325 HydrophobicContact CD1-CD1 4.47Å; I315-L325 HydrophobicContact CG2-CD1 3.67Å
316I67.4Low66.8Low28 Ų2876.4 Ų76.414%0.14437%0.369CS..Hα-helixtrans-73.8-34.3-177-74.8-173.8000111.8L283 V286 W312 R313 N318L283-I316 HydrophobicContact CD2-CG2 3.74Å; V286-I316 HydrophobicContact CB-CD1 4.31Å; V286-I316 HydrophobicContact CG1-CD1 3.64Å; W312-I316 HydrophobicContact CE3-CD1 3.73Å; W312-I316 HydrophobicContact CE3-CG1 4.38Å; W312-I316 HydrophobicContact CZ3-CD1 3.96Å; W312-I316 PolarHBondContact O-N 2.76Å; W312-I316 VanDerWaalsContact O-N 3.09Å; R313-I316 PolarHBondContact O-N 3.37Å; I316-N318 VanDerWaalsContact C-N 3.29Å; I316-N318 PolarHBondContact O-N 3.04Å
317E69.5Low67.3Low172 Ų17278.5 Ų78.580%0.80438%0.378SS*.Hα-helixtrans-64.9-33.9170-68-173.2179.400111.9R313 K319R313-E317 PolarHBondContact O-N 3.37Å; E317-K319 PolarHBondContact O-N 3.3Å; E317-K319 VanDerWaalsContact O-N 3.09Å
318N73.2Confident67.8Low67 Ų6771.3 Ų71.336%0.35835%0.349SS..  trans-83.877177-168.2-26.4000112.1D314 I315 I316 T320 L321 L322D314-N318 WeakPolarHBondContact O-CB 3.28Å; D314-N318 PolarHBondContact O-N 2.97Å; I315-N318 CarbonylContact O-C 3.29Å; I315-N318 PolarHBondContact O-N 3.32Å; I316-N318 VanDerWaalsContact C-N 3.29Å; I316-N318 PolarHBondContact O-N 3.04Å; N318-T320 PolarHBondContact O-N 3.37Å; N318-T320 PolarHBondContact OD1-OG1 3.4Å; N318-L321 HydrophobicContact CB-CB 4Å; N318-L321 VanDerWaalsContact CG-CB 3.46Å; N318-L321 PolarHBondContact O-N 3.1Å; N318-L321 WeakPolarHBondContact OD1-CB 3.45Å; N318-L321 PolarHBondContact OD1-N 3.31Å; N318-L322 PolarHBondContact O-N 2.99Å
319K70.8Confident68.2Low93 Ų9370.3 Ų70.340%0.40434%0.341SS..Hα-helixtrans-50.1-35.8179.2-178.3164.3177.6165.30113.2D276 D280 E317 H323D276-K319 WeakPolarHBondContact OD1-CE 3.41Å; D276-K319 IonicContact OD1-NZ 3.01Å; D276-K319 PolarHBondContact OD1-NZ 3.26Å; D280-K319 IonicContact OD1-NZ 3.33Å; D280-K319 PolarHBondContact OD1-NZ 2.81Å; E317-K319 PolarHBondContact O-N 3.3Å; E317-K319 VanDerWaalsContact O-N 3.09Å; K319-H323 VanDerWaalsContact O-CB 3.29Å; K319-H323 WeakPolarHBondContact O-CB 3.45Å; K319-H323 PolarHBondContact O-N 3.17Å
320T72.3Confident68.6Low117 Ų11769.1 Ų69.172%0.71834%0.336SS*.Hα-helixtrans-61.8-45.6174.519.10000113.3N318 H324N318-T320 PolarHBondContact O-N 3.37Å; N318-T320 PolarHBondContact OD1-OG1 3.4Å; T320-H324 PolarHBondContact O-N 3.42Å; T320-H324 VanDerWaalsContact O-N 3.09Å
321L71.7Confident68.8Low68 Ų6868.4 Ų68.436%0.35633%0.333SS..Hα-helixtrans-72.2-41.8178.3-168.9136.2000110.5I315 N318 H323 H324 L325I315-L321 HydrophobicContact CB-CD2 4.28Å; I315-L321 HydrophobicContact CG1-CD2 3.96Å; I315-L321 HydrophobicContact CG2-CD2 3.9Å; N318-L321 HydrophobicContact CB-CB 4Å; N318-L321 VanDerWaalsContact CG-CB 3.46Å; N318-L321 PolarHBondContact O-N 3.1Å; N318-L321 WeakPolarHBondContact OD1-CB 3.45Å; N318-L321 PolarHBondContact OD1-N 3.31Å; L321-H323 PolarHBondContact O-N 2.86Å; L321-H324 PolarHBondContact O-N 2.92Å; L321-L325 HydrophobicContact CD2-CD1 3.55Å; L321-L325 HydrophobicContact CD2-CG 3.99Å; L321-L325 WeakPolarHBondContact O-CB 3.15Å; L321-L325 VanDerWaalsContact O-CG 3.26Å; L321-L325 WeakPolarHBondContact O-CG 3.13Å; L321-L325 PolarHBondContact O-N 3.04Å
322L74.6Confident68.6Low1 Ų166.7 Ų66.71%0.00533%0.327CS..Hα-helixtrans-57.9-43.9173.3-178.362.7000112.6V279 F282 L283 I315 N318 L325 I326V279-L322 HydrophobicContact CG1-CD2 4.15Å; V279-L322 HydrophobicContact CG1-CG 4.49Å; F282-L322 HydrophobicContact CD1-CD1 4.11Å; F282-L322 HydrophobicContact CE1-CD1 3.92Å; L283-L322 HydrophobicContact CD1-CD2 4.26Å; L283-L322 HydrophobicContact CD2-CD2 3.52Å; L283-L322 HydrophobicContact CG-CD2 3.87Å; I315-L322 HydrophobicContact CG2-CD1 4.42Å; N318-L322 PolarHBondContact O-N 2.99Å; L322-L325 PolarHBondContact O-N 3.36Å; L322-I326 HydrophobicContact CD1-CD1 3.84Å; L322-I326 HydrophobicContact CD1-CG1 4.21Å; L322-I326 HydrophobicContact CG-CD1 4Å; L322-I326 WeakPolarHBondContact O-CB 3.36Å; L322-I326 WeakPolarHBondContact O-CG1 3.29Å; L322-I326 PolarHBondContact O-N 2.8Å
323H72.5Confident67.9Low52 Ų5267.1 Ų67.124%0.24134%0.342CS..Hα-helixtrans-63.9-41.6176.4-170.2-72.4000111.4T275 V279 K319 L321 H327T275-H323 WeakPolarHBondContact CB-NE2 3.46Å; T275-H323 PolarHBondContact OG1-CE1 3.32Å; T275-H323 PolarHBondContact OG1-NE2 3.48Å; V279-H323 HydrophobicContact CG2-CB 4.44Å; K319-H323 VanDerWaalsContact O-CB 3.29Å; K319-H323 WeakPolarHBondContact O-CB 3.45Å; K319-H323 PolarHBondContact O-N 3.17Å; L321-H323 PolarHBondContact O-N 2.86Å; H323-H327 VanDerWaalsContact O-CB 3.24Å; H323-H327 WeakPolarHBondContact O-CB 3.21Å; H323-H327 PolarHBondContact O-N 3.42Å
324H72.4Confident67.2Low119 Ų11961.7 Ų61.755%0.55132%0.324SS*.Hα-helixtrans-61.7-44.2173.2-17774.8000112T320 L321 H327 V328T320-H324 PolarHBondContact O-N 3.42Å; T320-H324 VanDerWaalsContact O-N 3.09Å; L321-H324 PolarHBondContact O-N 2.92Å; H324-H327 WeakPolarHBondContact O-CB 3.44Å; H324-H327 PolarHBondContact O-N 3.26Å; H324-V328 WeakPolarHBondContact O-CG2 3.28Å; H324-V328 PolarHBondContact O-N 3Å
325L71.7Confident66.3Low6 Ų657.5 Ų57.53%0.03130%0.302CS..Hα-helixtrans-65.6-43.5179.2-70.4-177.1000112.9F300 I303 I304 I315 L321 L322 H327 V328 L329F300-L325 HydrophobicContact CD1-CB 4.38Å; F300-L325 HydrophobicContact CD1-CD1 4.38Å; F300-L325 HydrophobicContact CE1-CB 3.69Å; F300-L325 HydrophobicContact CE1-CD1 4.23Å; F300-L325 HydrophobicContact CE1-CG 4.44Å; F300-L325 HydrophobicContact CZ-CB 4.2Å; F300-L325 HydrophobicContact CZ-CD1 4.5Å; I303-L325 HydrophobicContact CG2-CD2 4.35Å; I304-L325 HydrophobicContact CD1-CD1 3.48Å; I304-L325 VanDerWaalsContact CD1-CD1 3.48Å; I304-L325 HydrophobicContact CD1-CD2 3.41Å; I304-L325 VanDerWaalsContact CD1-CD2 3.41Å; I304-L325 HydrophobicContact CD1-CG 4.08Å; I304-L325 HydrophobicContact CG1-CD2 3.53Å; I315-L325 HydrophobicContact CD1-CD1 4.47Å; I315-L325 HydrophobicContact CG2-CD1 3.67Å; L321-L325 HydrophobicContact CD2-CD1 3.55Å; L321-L325 HydrophobicContact CD2-CG 3.99Å; L321-L325 WeakPolarHBondContact O-CB 3.15Å; L321-L325 VanDerWaalsContact O-CG 3.26Å; L321-L325 WeakPolarHBondContact O-CG 3.13Å; L321-L325 PolarHBondContact O-N 3.04Å; L322-L325 PolarHBondContact O-N 3.36Å; L325-H327 VanDerWaalsContact C-N 3.33Å; L325-V328 PolarHBondContact O-N 3.39Å; L325-L329 WeakPolarHBondContact O-CG 3.33Å; L325-L329 PolarHBondContact O-N 3.29Å
326I70.4Confident65.6Low8 Ų859.9 Ų59.94%0.04131%0.314CS..Hα-helixtrans-66.2-37.9175.5-73.1174.9000110.5I278 V279 F282 L322 L329 L330I278-I326 HydrophobicContact CG2-CG2 3.91Å; V279-I326 HydrophobicContact CB-CD1 4.34Å; V279-I326 HydrophobicContact CG2-CB 4.24Å; V279-I326 HydrophobicContact CG2-CD1 3.86Å; V279-I326 HydrophobicContact CG2-CG2 4.14Å; F282-I326 HydrophobicContact CB-CD1 4Å; F282-I326 HydrophobicContact CD1-CD1 3.67Å; F282-I326 HydrophobicContact CE1-CD1 4.42Å; F282-I326 HydrophobicContact CG-CD1 4.01Å; L322-I326 HydrophobicContact CD1-CD1 3.84Å; L322-I326 HydrophobicContact CD1-CG1 4.21Å; L322-I326 HydrophobicContact CG-CD1 4Å; L322-I326 WeakPolarHBondContact O-CB 3.36Å; L322-I326 WeakPolarHBondContact O-CG1 3.29Å; L322-I326 PolarHBondContact O-N 2.8Å; I326-L329 PolarHBondContact O-N 3.06Å; I326-L330 HydrophobicContact CG2-CD1 3.88Å; I326-L330 HydrophobicContact CG2-CG 4.39Å; I326-L330 WeakPolarHBondContact O-CB 3.01Å; I326-L330 VanDerWaalsContact O-CG 3.22Å; I326-L330 WeakPolarHBondContact O-CG 3.15Å; I326-L330 PolarHBondContact O-N 3.34Å
327H69Low64.6Low74 Ų7460.4 Ų60.434%0.34332%0.315SS..Hα-helixtrans-61.1-43.9171.8-174.1-85.6000112.1H323 H324 L325 L330 Q331H323-H327 VanDerWaalsContact O-CB 3.24Å; H323-H327 WeakPolarHBondContact O-CB 3.21Å; H323-H327 PolarHBondContact O-N 3.42Å; H324-H327 WeakPolarHBondContact O-CB 3.44Å; H324-H327 PolarHBondContact O-N 3.26Å; L325-H327 VanDerWaalsContact C-N 3.33Å; H327-L330 PolarHBondContact O-N 2.73Å; H327-Q331 PolarHBondContact CE1-NE2 3.3Å; H327-Q331 VanDerWaalsContact CE1-NE2 3.32Å; H327-Q331 PolarHBondContact ND1-OE1 3.05Å; H327-Q331 WeakPolarHBondContact O-CG 3.3Å; H327-Q331 PolarHBondContact O-N 3.12Å
328V68.7Low63.6Low32 Ų3254.3 Ų54.319%0.19429%0.291CS..Hα-helixtrans-66.2-39.2174.8175.70000111.5I303 H324 L325 L330 Q331 S332I303-V328 HydrophobicContact CD1-CG1 3.93Å; I303-V328 HydrophobicContact CG1-CG1 4.22Å; I303-V328 HydrophobicContact CG2-CG1 3.88Å; H324-V328 WeakPolarHBondContact O-CG2 3.28Å; H324-V328 PolarHBondContact O-N 3Å; L325-V328 PolarHBondContact O-N 3.39Å; V328-L330 PolarHBondContact O-N 2.62Å; V328-Q331 PolarHBondContact O-N 2.78Å; V328-S332 WeakPolarHBondContact O-CB 3.38Å; V328-S332 PolarHBondContact O-N 2.88Å; V328-S332 PolarHBondContact O-OG 3.11Å
329L65.2Low62.5Low12 Ų1252.8 Ų52.86%0.06329%0.285CS..Hα-helixtrans-58.2-47.7172.4-72.2-178.7000111.5V296 K299 F300 I303 L325 I326 Q331 S332 I334V296-L329 HydrophobicContact CG1-CD1 4.17Å; K299-L329 HydrophobicContact CB-CD2 3.93Å; K299-L329 HydrophobicContact CG-CD2 3.7Å; F300-L329 HydrophobicContact CD1-CD1 4.25Å; F300-L329 HydrophobicContact CD1-CD2 4.14Å; F300-L329 HydrophobicContact CD1-CG 4.26Å; F300-L329 HydrophobicContact CE1-CD1 3.37Å; F300-L329 HydrophobicContact CE1-CD2 3.99Å; F300-L329 HydrophobicContact CE1-CG 3.62Å; F300-L329 HydrophobicContact CZ-CD1 3.62Å; F300-L329 HydrophobicContact CZ-CG 4.37Å; I303-L329 HydrophobicContact CD1-CD2 3.73Å; L325-L329 WeakPolarHBondContact O-CG 3.33Å; L325-L329 PolarHBondContact O-N 3.29Å; I326-L329 PolarHBondContact O-N 3.06Å; L329-Q331 VanDerWaalsContact C-N 3.25Å; L329-Q331 PolarHBondContact O-N 3.01Å; L329-S332 WeakPolarHBondContact CA-OG 3.2Å; L329-S332 PolarHBondContact O-N 2.65Å; L329-S332 PolarHBondContact O-OG 3.41Å; L329-I334 HydrophobicContact CD2-CD1 3.81Å
330L65.3Low61.4Low61 Ų6153 Ų5332%0.31929%0.286SS..Hα-helixtrans-66.6-22.7178.7-70.2168.8000113.4T275 I278 I326 H327 V328T275-L330 HydrophobicContact CG2-CD1 4.14Å; I278-L330 HydrophobicContact CD1-CD1 3.96Å; I278-L330 HydrophobicContact CD1-CD2 4.23Å; I278-L330 HydrophobicContact CG2-CD1 4.42Å; I326-L330 HydrophobicContact CG2-CD1 3.88Å; I326-L330 HydrophobicContact CG2-CG 4.39Å; I326-L330 WeakPolarHBondContact O-CB 3.01Å; I326-L330 VanDerWaalsContact O-CG 3.22Å; I326-L330 WeakPolarHBondContact O-CG 3.15Å; I326-L330 PolarHBondContact O-N 3.34Å; H327-L330 PolarHBondContact O-N 2.73Å; V328-L330 PolarHBondContact O-N 2.62Å
331Q63.5Low60.3Low138 Ų13848.4 Ų48.465%0.64526%0.258SS*.Hα-helixtrans-83.6-27.3168.6-72.5-178.7-44.800112.9H327 V328 L329 G333H327-Q331 PolarHBondContact CE1-NE2 3.3Å; H327-Q331 VanDerWaalsContact CE1-NE2 3.32Å; H327-Q331 PolarHBondContact ND1-OE1 3.05Å; H327-Q331 WeakPolarHBondContact O-CG 3.3Å; H327-Q331 PolarHBondContact O-N 3.12Å; V328-Q331 PolarHBondContact O-N 2.78Å; L329-Q331 VanDerWaalsContact C-N 3.25Å; L329-Q331 PolarHBondContact O-N 3.01Å; Q331-G333 VanDerWaalsContact C-N 3.27Å; Q331-G333 PolarHBondContact O-N 3.43Å
332S58.2Low59Low36 Ų3651.2 Ų51.225%0.25227%0.271SS..THydrogen-bonded Turntrans-8419.8-171.675.70000116.1K299 V328 L329K299-S332 WeakPolarHBondContact CE-OG 3.3Å; K299-S332 PolarHBondContact NZ-O 3.42Å; V328-S332 WeakPolarHBondContact O-CB 3.38Å; V328-S332 PolarHBondContact O-N 2.88Å; V328-S332 PolarHBondContact O-OG 3.11Å; L329-S332 WeakPolarHBondContact CA-OG 3.2Å; L329-S332 PolarHBondContact O-N 2.65Å; L329-S332 PolarHBondContact O-OG 3.41Å
333G50.4Low57.5Low44 Ų4460.8 Ų60.845%0.45431%0.308SS..THydrogen-bonded Turntrans69.942.2173.700000115.4Q331Q331-G333 VanDerWaalsContact C-N 3.27Å; Q331-G333 PolarHBondContact O-N 3.43Å
334I51.6Low56.1Low42 Ų4265.5 Ų65.522%0.21533%0.33CS..  trans-103.466.8173.8-41.3-176000110.8K299 L329 N336 W337K299-I334 HydrophobicContact CB-CD1 4.36Å; K299-I334 HydrophobicContact CD-CD1 3.88Å; K299-I334 HydrophobicContact CG-CD1 3.95Å; L329-I334 HydrophobicContact CD2-CD1 3.81Å; I334-N336 PolarHBondContact O-N 3.02Å; I334-N336 VanDerWaalsContact O-N 3.16Å; I334-W337 VanDerWaalsContact CG2-CD1 3.43Å; I334-W337 HydrophobicContact CG2-CG 4.22Å; I334-W337 PolarHBondContact O-N 3.1Å
335D49.3Very low54.4Low22 Ų2264.7 Ų64.712%0.11834%0.338CS..THydrogen-bonded Turntrans-48.8-40.2-177.6-70.835.1000114W337 S338 L458 K461 S462D335-W337 PolarHBondContact O-N 3.12Å; D335-S338 PolarHBondContact O-N 3.42Å; D335-S338 PolarHBondContact O-OG 2.98Å; D335-L458 WeakPolarHBondContact CB-O 3.44Å; D335-K461 HydrophobicContact CB-CB 4.43Å; D335-K461 WeakPolarHBondContact OD2-CA 3.48Å; D335-K461 PolarHBondContact OD2-N 2.81Å; D335-S462 VanDerWaalsContact CG-OG 3.27Å; D335-S462 WeakPolarHBondContact OD1-CB 3.47Å; D335-S462 PolarHBondContact OD1-OG 2.85Å; D335-S462 WeakPolarHBondContact OD2-CB 3.45Å; D335-S462 PolarHBondContact OD2-N 2.87Å; D335-S462 PolarHBondContact OD2-OG 3.31Å
336N49.8Very low52.8Low65 Ų6566.9 Ų66.935%0.34836%0.362SS..THydrogen-bonded Turntrans-49.1-29.5-178.6-52.533.9000113.6I334 S338 S339 F340 L458I334-N336 PolarHBondContact O-N 3.02Å; I334-N336 VanDerWaalsContact O-N 3.16Å; N336-S338 PolarHBondContact O-N 2.88Å; N336-S339 WeakPolarHBondContact O-CB 3.2Å; N336-S339 PolarHBondContact O-N 3.32Å; N336-F340 PolarHBondContact O-N 3.38Å; N336-F340 VanDerWaalsContact O-N 3.09Å; N336-L458 HydrophobicContact CB-CD2 3.9Å; N336-L458 PolarHBondContact OD1-O 3.34Å
337W47.5Very low51.3Low40 Ų4072.8 Ų72.815%0.15240%0.401CS..Hα-helixtrans-74.2-28.3-169-89.756.2000114F282 P293 V296 I334 D335 S339 L341F282-W337 AromaticContact CD2-CH2 3.85Å; F282-W337 HydrophobicContact CD2-CH2 3.85Å; F282-W337 AromaticContact CD2-CZ3 3.62Å; F282-W337 HydrophobicContact CD2-CZ3 3.62Å; F282-W337 AromaticContact CE2-CH2 3.91Å; F282-W337 HydrophobicContact CE2-CH2 3.91Å; F282-W337 HydrophobicContact CE2-CZ3 4.07Å; P293-W337 HydrophobicContact CG-CH2 4.37Å; P293-W337 HydrophobicContact CG-CZ2 4.23Å; V296-W337 HydrophobicContact CG2-CH2 3.49Å; V296-W337 VanDerWaalsContact CG2-CH2 3.49Å; V296-W337 HydrophobicContact CG2-CZ2 3.07Å; V296-W337 HydrophobicContact CG2-CZ3 4.42Å; I334-W337 VanDerWaalsContact CG2-CD1 3.43Å; I334-W337 HydrophobicContact CG2-CG 4.22Å; I334-W337 PolarHBondContact O-N 3.1Å; D335-W337 PolarHBondContact O-N 3.12Å; W337-S339 VanDerWaalsContact C-N 3.25Å; W337-S339 PolarHBondContact O-N 3Å; W337-L341 HydrophobicContact CE3-CD1 4Å; W337-L341 HydrophobicContact CZ3-CD1 4.24Å; W337-L341 PolarHBondContact O-N 3.08Å
338S47.9Very low49.7Very low43 Ų4373.6 Ų73.630%0.30142%0.42SS..Hα-helixtrans-70.6-23.9171.872.40000112.8D335 N336 M342 K461D335-S338 PolarHBondContact O-N 3.42Å; D335-S338 PolarHBondContact O-OG 2.98Å; N336-S338 PolarHBondContact O-N 2.88Å; S338-M342 WeakPolarHBondContact O-CG 3.25Å; S338-K461 VanDerWaalsContact OG-CD 3.29Å; S338-K461 WeakPolarHBondContact OG-CD 3.45Å; S338-K461 PolarHBondContact OG-NZ 3.33Å
339S49.2Very low48.2Very low35 Ų3577.7 Ų77.725%0.24545%0.447CS..Hα-helixtrans-77.9-51.3174.4-45.90000110.5N336 W337 L341 M342 Y343N336-S339 WeakPolarHBondContact O-CB 3.2Å; N336-S339 PolarHBondContact O-N 3.32Å; W337-S339 VanDerWaalsContact C-N 3.25Å; W337-S339 PolarHBondContact O-N 3Å; S339-L341 PolarHBondContact O-N 3.29Å; S339-M342 PolarHBondContact O-N 3.38Å; S339-Y343 PolarHBondContact O-N 2.85Å
340F48.8Very low46.8Very low97 Ų9782.7 Ų82.743%0.42548%0.481SS..Hα-helixtrans-57.8-46.5-177.5-171.6-104.4000112.6Y285 N336 M342Y285-F340 HydrophobicContact CD2-CE1 4.15Å; Y285-F340 AromaticContact CE2-CE1 3.9Å; Y285-F340 HydrophobicContact CE2-CE1 3.9Å; Y285-F340 AromaticContact CE2-CZ 3.9Å; Y285-F340 HydrophobicContact CE2-CZ 3.9Å; N336-F340 PolarHBondContact O-N 3.38Å; N336-F340 VanDerWaalsContact O-N 3.09Å; F340-M342 PolarHBondContact O-N 3.35Å
341L47.8Very low45.5Very low22 Ų2285.8 Ų85.812%0.11550%0.504CS..THydrogen-bonded Turntrans-79.54.5-178.1-62.8177.1000114.7I278 K281 W337 S339I278-L341 HydrophobicContact CG2-CD1 4.02Å; K281-L341 HydrophobicContact CD-CB 4.41Å; K281-L341 PolarHBondContact NZ-O 3.24Å; W337-L341 HydrophobicContact CE3-CD1 4Å; W337-L341 HydrophobicContact CZ3-CD1 4.24Å; W337-L341 PolarHBondContact O-N 3.08Å; S339-L341 PolarHBondContact O-N 3.29Å
342M45.4Very low44.2Very low127 Ų12783.3 Ų83.363%0.62651%0.508SS*.THydrogen-bonded Turntrans-111.1-25.4174-74.9-170.4152.500113.6S338 S339 F340 Q344 S345S338-M342 WeakPolarHBondContact O-CG 3.25Å; S339-M342 PolarHBondContact O-N 3.38Å; F340-M342 PolarHBondContact O-N 3.35Å; M342-Q344 PolarHBondContact O-N 3.46Å; M342-S345 PolarHBondContact O-N 2.89Å; M342-S345 PolarHBondContact O-OG 3.48Å
343Y43.4Very low43Very low202 Ų20287 Ų8779%0.79253%0.53SS*.G310 helixtrans-72.5-17.7-171.4-107.7-87.1000116.2S339 S345S339-Y343 PolarHBondContact O-N 2.85Å; Y343-S345 PolarHBondContact O-N 3.34Å; Y343-S345 VanDerWaalsContact O-N 3.12Å
344Q41.9Very low42.3Very low151 Ų15192 Ų9271%0.70655%0.552SS**G310 helixtrans-76.914.1175.8-71.2-176-38.600114.4M342M342-Q344 PolarHBondContact O-N 3.46Å
345S37.4Very low41.6Very low101 Ų10195 Ų9571%0.70657%0.573SS**G310 helixtrans-95.44.9-176.9-41.50000114.1M342 Y343M342-S345 PolarHBondContact O-N 2.89Å; M342-S345 PolarHBondContact O-OG 3.48Å; Y343-S345 PolarHBondContact O-N 3.34Å; Y343-S345 VanDerWaalsContact O-N 3.12Å
346G37.5Very low40.8Very low52 Ų52101.8 Ų101.854%0.53661%0.608SS.*SBendtrans-106.1161.2-177.900000113.7
347P39.2Very low39.9Very low133 Ų133103.7 Ų103.786%0.86462%0.624SS**PPolyproline II helixtrans-62.9147.5173.428.5-34.7000111.1
348A35.1Very low39.6Very low90 Ų90107.5 Ų107.574%0.74465%0.654SS**PPolyproline II helixtrans-59.3145.3-17600000112.5
349P36.9Very low39.1Very low118 Ų118111.1 Ų111.177%0.76667%0.67SS**PPolyproline II helixtrans-62.6147.9176.727.3-34.9000111.1
350P36.1Very low38.9Very low118 Ų118111.2 Ų111.277%0.76667%0.67SS**PPolyproline II helixtrans-63.5151.3177.727.8-34.9000111.4
351P38Very low38.4Very low126 Ų126109.2 Ų109.282%0.81867%0.666SS**PPolyproline II helixtrans-62.3145.2176.927.3-34.7000111.2
352A36.7Very low38.2Very low86 Ų86111.5 Ų111.571%0.71168%0.676SS**PPolyproline II helixtrans-61.5142.3-177.400000112.2T354A352-T354 PolarHBondContact O-N 2.81Å
353P32.8Very low38.2Very low112 Ų112108.9 Ų108.973%0.72766%0.664SS**PPolyproline II helixtrans-60.1132177.3-23.433.9000112.4T355P353-T355 PolarHBondContact O-N 3.31Å
354T36.4Very low38.6Very low149 Ų149105.2 Ų105.291%0.91466%0.655SS**SBendtrans-8822.2175.954.10000113A352A352-T354 PolarHBondContact O-N 2.81Å
355T36.4Very low38.8Very low107 Ų10799.9 Ų99.966%0.65663%0.631SS**SBendtrans-132.9138.4-178.950.70000109.1P353P353-T355 PolarHBondContact O-N 3.31Å
356L32.8Very low39.4Very low163 Ų16396.9 Ų96.985%0.85361%0.606SS**PPolyproline II helixtrans-55.4144.5173.9-71.9164.4000110.7
357P31.5Very low40Very low105 Ų10598.6 Ų98.668%0.68260%0.603SS**PPolyproline II helixtrans-62.8156167.330.1-34.8000110
358P40.3Very low40.6Very low120 Ų12096.9 Ų96.978%0.77958%0.58SS**PPolyproline II helixtrans-60.4155.3166.729.2-35.1000110.4S360P358-S360 PolarHBondContact O-N 3.05Å
359L38.5Very low41.2Very low120 Ų12093.9 Ų93.963%0.62855%0.552SS**PPolyproline II helixtrans-51.7139.2171.3-85.372.6000109.9D363L359-D363 HydrophobicContact CB-CB 4Å; L359-D363 HydrophobicContact CD2-CB 4.02Å; L359-D363 HydrophobicContact CG-CB 3.95Å
360S44.5Very low41.7Very low37 Ų3791.2 Ų91.226%0.25953%0.533SS..PPolyproline II helixtrans-80.8166.1170.567.30000110.7P358 E362 D363 E364P358-S360 PolarHBondContact O-N 3.05Å; S360-E362 VanDerWaalsContact CB-OE2 3.3Å; S360-E362 WeakPolarHBondContact CB-OE2 3.45Å; S360-E362 PolarHBondContact O-N 2.85Å; S360-E362 PolarHBondContact OG-OE2 2.98Å; S360-D363 WeakPolarHBondContact CB-OD2 3.49Å; S360-D363 PolarHBondContact N-OD2 3.18Å; S360-D363 WeakPolarHBondContact O-CA 3.48Å; S360-D363 WeakPolarHBondContact O-CB 3.29Å; S360-D363 PolarHBondContact O-N 3.34Å; S360-D363 VanDerWaalsContact OG-CG 3.31Å; S360-D363 PolarHBondContact OG-N 3.41Å; S360-D363 PolarHBondContact OG-OD2 3.23Å; S360-E364 PolarHBondContact O-N 3.09Å
361V38.5Very low42.3Very low55 Ų5590.9 Ų90.933%0.33352%0.522SS..Hα-helixtrans-67.1-23.5175165.90000110.8D363 E364 L365 Y687V361-D363 VanDerWaalsContact C-N 3.35Å; V361-E364 PolarHBondContact O-N 2.98Å; V361-L365 WeakPolarHBondContact O-CB 3.47Å; V361-L365 PolarHBondContact O-N 3.14Å; V361-Y687 HydrophobicContact CB-CD1 3.72Å; V361-Y687 HydrophobicContact CB-CE1 3.85Å; V361-Y687 HydrophobicContact CG1-CD1 4.48Å; V361-Y687 HydrophobicContact CG2-CD1 3.69Å; V361-Y687 HydrophobicContact CG2-CE1 3.54Å
362E43.4Very low42.5Very low70 Ų7088.4 Ų88.433%0.32751%0.508SS..Hα-helixtrans-65.3-37.3169-63.476.7-173.700111.7S360 L366S360-E362 VanDerWaalsContact CB-OE2 3.3Å; S360-E362 WeakPolarHBondContact CB-OE2 3.45Å; S360-E362 PolarHBondContact O-N 2.85Å; S360-E362 PolarHBondContact OG-OE2 2.98Å; E362-L366 VanDerWaalsContact O-CG 3.26Å; E362-L366 WeakPolarHBondContact O-CG 3.47Å; E362-L366 PolarHBondContact O-N 3.41Å; E362-L366 VanDerWaalsContact O-N 3.15Å
363D44.7Very low42.7Very low71 Ų7190 Ų9038%0.3850%0.504SS..Hα-helixtrans-72-41.4172.8-54.7-58.2000111.3L359 S360 V361 L365 L366 D367L359-D363 HydrophobicContact CB-CB 4Å; L359-D363 HydrophobicContact CD2-CB 4.02Å; L359-D363 HydrophobicContact CG-CB 3.95Å; S360-D363 WeakPolarHBondContact CB-OD2 3.49Å; S360-D363 PolarHBondContact N-OD2 3.18Å; S360-D363 WeakPolarHBondContact O-CA 3.48Å; S360-D363 WeakPolarHBondContact O-CB 3.29Å; S360-D363 PolarHBondContact O-N 3.34Å; S360-D363 VanDerWaalsContact OG-CG 3.31Å; S360-D363 PolarHBondContact OG-N 3.41Å; S360-D363 PolarHBondContact OG-OD2 3.23Å; V361-D363 VanDerWaalsContact C-N 3.35Å; D363-L365 VanDerWaalsContact C-N 3.34Å; D363-L365 PolarHBondContact O-N 2.89Å; D363-L366 PolarHBondContact O-N 2.84Å; D363-L366 VanDerWaalsContact O-N 3.15Å; D363-D367 PolarHBondContact O-N 2.88Å
364E51.2Low42.7Very low126 Ų12687.5 Ų87.559%0.58949%0.49SS*.Hα-helixtrans-62.9-38.4176.1-172.4177.9-165.600112.3S360 V361 D367 Y368S360-E364 PolarHBondContact O-N 3.09Å; V361-E364 PolarHBondContact O-N 2.98Å; E364-D367 PolarHBondContact O-N 3.33Å; E364-Y368 WeakPolarHBondContact O-CB 3.28Å; E364-Y368 PolarHBondContact O-N 3.42Å
365L47.6Very low42.6Very low39 Ų3990.8 Ų90.820%0.20449%0.487CS..Hα-helixtrans-65.2-39.5172.8-175.875.3000111.5V361 D363 Y368 I369 I690 I692V361-L365 WeakPolarHBondContact O-CB 3.47Å; V361-L365 PolarHBondContact O-N 3.14Å; D363-L365 VanDerWaalsContact C-N 3.34Å; D363-L365 PolarHBondContact O-N 2.89Å; L365-Y368 PolarHBondContact O-N 3.18Å; L365-I369 HydrophobicContact CG-CD1 4.09Å; L365-I369 WeakPolarHBondContact O-CD1 3.4Å; L365-I369 VanDerWaalsContact O-CG1 3.24Å; L365-I369 WeakPolarHBondContact O-CG1 3.25Å; L365-I369 PolarHBondContact O-N 3.15Å; L365-I690 HydrophobicContact CD1-CD1 4.11Å; L365-I690 HydrophobicContact CD2-CD1 3.69Å; L365-I692 HydrophobicContact CD1-CD1 4.27Å
366L48.8Very low42.4Very low38 Ų3893.3 Ų93.320%0.19950%0.497CS..Hα-helixtrans-67.4-43.6175.7-73.7171.8000111.4F55 E362 D363 Y368 I369 V370 I597F55-L366 HydrophobicContact CE1-CD1 4.03Å; F55-L366 HydrophobicContact CZ-CD1 3.91Å; E362-L366 VanDerWaalsContact O-CG 3.26Å; E362-L366 WeakPolarHBondContact O-CG 3.47Å; E362-L366 PolarHBondContact O-N 3.41Å; E362-L366 VanDerWaalsContact O-N 3.15Å; D363-L366 PolarHBondContact O-N 2.84Å; D363-L366 VanDerWaalsContact O-N 3.15Å; L366-Y368 VanDerWaalsContact C-N 3.32Å; L366-Y368 PolarHBondContact O-N 3.41Å; L366-I369 CarbonylContact O-C 3.4Å; L366-I369 PolarHBondContact O-N 3.45Å; L366-I369 VanDerWaalsContact O-N 3.16Å; L366-V370 WeakPolarHBondContact O-CB 3.4Å; L366-V370 WeakPolarHBondContact O-CG2 3.32Å; L366-V370 PolarHBondContact O-N 3.28Å; L366-I597 HydrophobicContact CD1-CG2 3.84Å; L366-I597 HydrophobicContact CD2-CD1 3.96Å; L366-I597 HydrophobicContact CD2-CG2 3.83Å
367D50.2Low42.5Very low88 Ų8892.3 Ų92.347%0.47150%0.497SS..Hα-helixtrans-60.9-39.5173.5-90.4-0.7000111.5D363 E364 I369 V370 M371D363-D367 PolarHBondContact O-N 2.88Å; E364-D367 PolarHBondContact O-N 3.33Å; D367-I369 VanDerWaalsContact C-N 3.35Å; D367-I369 PolarHBondContact O-N 3.07Å; D367-V370 PolarHBondContact O-N 3.33Å; D367-M371 VanDerWaalsContact O-CB 3.24Å; D367-M371 WeakPolarHBondContact O-CB 3.4Å; D367-M371 WeakPolarHBondContact O-CG 3.42Å; D367-M371 PolarHBondContact O-N 3.32Å
368Y51.9Low42.5Very low96 Ų9692.9 Ų92.938%0.37650%0.504SS..Hα-helixtrans-61.3-41.3173.4-175.9-98.5000112.6E364 L365 L366 V370 S372 I692E364-Y368 WeakPolarHBondContact O-CB 3.28Å; E364-Y368 PolarHBondContact O-N 3.42Å; L365-Y368 PolarHBondContact O-N 3.18Å; L366-Y368 VanDerWaalsContact C-N 3.32Å; L366-Y368 PolarHBondContact O-N 3.41Å; Y368-V370 VanDerWaalsContact C-N 3.34Å; Y368-S372 PolarHBondContact O-N 2.94Å; Y368-S372 PolarHBondContact O-OG 3.44Å; Y368-I692 HydrophobicContact CD1-CD1 4.23Å; Y368-I692 HydrophobicContact CE1-CD1 4.34Å
369I48.5Very low42.3Very low28 Ų2896.4 Ų96.414%0.14451%0.51CS..Hα-helixtrans-70.1-29.4176.6-69.8166.6000111.8I32 L365 L366 D367 S372I32-I369 HydrophobicContact CD1-CG2 3.45Å; I32-I369 VanDerWaalsContact CD1-CG2 3.45Å; L365-I369 HydrophobicContact CG-CD1 4.09Å; L365-I369 WeakPolarHBondContact O-CD1 3.4Å; L365-I369 VanDerWaalsContact O-CG1 3.24Å; L365-I369 WeakPolarHBondContact O-CG1 3.25Å; L365-I369 PolarHBondContact O-N 3.15Å; L366-I369 CarbonylContact O-C 3.4Å; L366-I369 PolarHBondContact O-N 3.45Å; L366-I369 VanDerWaalsContact O-N 3.16Å; D367-I369 VanDerWaalsContact C-N 3.35Å; D367-I369 PolarHBondContact O-N 3.07Å; I369-S372 PolarHBondContact O-OG 2.99Å
370V47.6Very low42.3Very low62 Ų6299 Ų9938%0.37652%0.524SS..Hα-helixtrans-81.7-39.5178.2171.40000112.1L366 D367 Y368 I600L366-V370 WeakPolarHBondContact O-CB 3.4Å; L366-V370 WeakPolarHBondContact O-CG2 3.32Å; L366-V370 PolarHBondContact O-N 3.28Å; D367-V370 PolarHBondContact O-N 3.33Å; Y368-V370 VanDerWaalsContact C-N 3.34Å; V370-I600 HydrophobicContact CG2-CD1 3.68Å
371M47Very low42Very low110 Ų110100.9 Ų100.954%0.54255%0.549SS..Hα-helixtrans-82.9-12.7-174.2-67.2-76.395.400114.2D367 S374D367-M371 VanDerWaalsContact O-CB 3.24Å; D367-M371 WeakPolarHBondContact O-CB 3.4Å; D367-M371 WeakPolarHBondContact O-CG 3.42Å; D367-M371 PolarHBondContact O-N 3.32Å; M371-S374 PolarHBondContact O-OG 3.41Å
372S42.8Very low42Very low74 Ų74106.3 Ų106.352%0.51758%0.577SS.*THydrogen-bonded Turntrans-75.7-23.4178.930.90000113.7Y368 I369Y368-S372 PolarHBondContact O-N 2.94Å; Y368-S372 PolarHBondContact O-OG 3.44Å; I369-S372 PolarHBondContact O-OG 2.99Å
373D42.1Very low42.1Very low119 Ų119110.7 Ų110.764%0.63660%0.603SS**THydrogen-bonded Turntrans-102.57.7-178.1-80.7-18.4000114
374S32.6Very low41.8Very low60 Ų60114.2 Ų114.242%0.4262%0.621SS.*  trans-10943.6-167.673.80000116.3M371M371-S374 PolarHBondContact O-OG 3.41Å
375Y33.9Very low41.3Very low219 Ų219116 Ų11686%0.85964%0.635SS**  trans-136.378.5171.1-78.2-77.1000112.3
376D31.4Very low40.9Very low160 Ų160120.8 Ų120.886%0.85666%0.661SS**  trans-149.276.8172.5-1393.6000109.4
377T34.9Very low40.5Very low141 Ų141127.2 Ų127.287%0.86569%0.689SS**  trans-88.3113.1178.444.20000110.7
378S32.9Very low39.9Very low118 Ų118129.6 Ų129.683%0.82570%0.698SS**  trans-74.9122.8179.555.90000113.1
379E36.2Very low39.2Very low194 Ų194134.4 Ų134.491%0.90772%0.715SS**  trans-132.584.2164.1-69.8-16915600110.2
380D38.2Very low38.6Very low174 Ų174139.6 Ų139.693%0.9374%0.743SS**  trans-125.6112.9160.2-92.4-43.7000106.1
381G38.6Very low38Very low76 Ų76143.5 Ų143.578%0.78476%0.762SS**  trans177.890.7-174.300000113
382D38Very low37.4Very low169 Ų169144 Ų14490%0.90477%0.771SS**  trans-65.8130.5175.4-45-82000111.8
383D44.2Very low36.8Very low163 Ų163148.9 Ų148.987%0.87279%0.786SS**  trans-159.5142.1139.9-130.1-21.8000110.3
384D39.9Very low36.2Very low145 Ų145149.1 Ų149.178%0.77580%0.797SS**  trans-74.4151.4-176.4-63.3-61.8000112.4
385N40.4Very low35.9Very low162 Ų162149.7 Ų149.787%0.86681%0.812SS**  177.9149.2125.9-100.3-82.2000112.5
386D37.9Very low35.6Very low140 Ų140147.3 Ų147.375%0.74981%0.814SS**  trans-78.2147.1-175.5-56.1-79.3000114.7
387H41.8Very low35.4Very low174 Ų174145.3 Ų145.381%0.80681%0.807SS**  177.8113.2114.1-92.6-54.7000114.9
388E38.1Very low35Very low138 Ų138145.9 Ų145.965%0.64580%0.804SS**  trans29.1106.2131.2-93.6-174-130.400120.5
389R36.5Very low34.6Very low197 Ų197145.7 Ų145.774%0.74380%0.803SS**  165.2131.797.8-91.2152.4-160.7-164.16.7116.9
390D36.5Very low34.1Very low136 Ų136141.7 Ų141.773%0.72780%0.797SS**  trans52.196.7130.9-51.46.5000121.4
391D33.8Very low33.6Very low145 Ų145141.5 Ų141.578%0.77580%0.796SS**  71.8134.4111.5-72.15.1000125.3
392T34.4Very low33Very low120 Ų120143.8 Ų143.874%0.73680%0.8SS**  trans8089.314651.60000122.4
393E30.2Very low32.4Very low177 Ų177140.8 Ų140.883%0.82779%0.792SS**  75.5148.6107.5-164.7169.8-137.200122.1
394S29.4Very low31.6Very low123 Ų123140.8 Ų140.886%0.8679%0.791SS**  trans76.9122.3168.476.40000117.3
395G27.3Very low30.9Very low72 Ų72141.2 Ų141.274%0.74280%0.798SS**  trans-122.4-174.3172.700000111.5
396L27.8Very low30.1Very low170 Ų170145 Ų14589%0.8980%0.801SS**  trans-170.9108150.8-106.3167000112.8
397V26Very low29.5Very low117 Ų117144.4 Ų144.471%0.70980%0.802SS**  trans11.7119.6146.7-174.90000119.7
398N27Very low28.7Very low153 Ų153144 Ų14482%0.81881%0.805SS**  trans22.1126.7138.8-52.7-13.9000120.9
399S24.6Very low28Very low114 Ų114144.1 Ų144.180%0.79782%0.815SS**  -158.1130.1124.659.10000112.4
400S26.2Very low27.4Very low111 Ų111144 Ų14478%0.77682%0.82SS**  trans162.5112.9150.8-800000111.6
401N27.4Very low26.8Very low169 Ų169143 Ų14390%0.90482%0.824SS**  trans165.865.4134-84.6-18.3000111.1
402S25Very low26.4Very low124 Ų124142 Ų14287%0.86782%0.822SS**  trans-98.595.5173.445.20000111.7
403S26.2Very low25.8Very low107 Ų107141 Ų14175%0.74882%0.821SS**  trans-163.9133.2159.259.60000111.9
404L26.8Very low25.6Very low163 Ų163143.8 Ų143.885%0.85383%0.825SS**  trans154.2-19.6148.1-86168.6000113R406L404-R406 PolarHBondContact O-N 3.43Å
405V25.7Very low25.3Very low153 Ų153144.2 Ų144.293%0.92782%0.823SS**  trans-76.665.1-179.9-166.50000111.8
406R24.6Very low25.3Very low243 Ų243143.9 Ų143.992%0.91782%0.82SS**  trans-148.813.9-177.3-121.5-179-162.5-175.86.5117.9L404L404-R406 PolarHBondContact O-N 3.43Å
407T24.3Very low25.1Very low126 Ų126143 Ų14377%0.77382%0.815SS**SBendtrans-136.4156178.2-470000110
408L24.4Very low25.1Very low166 Ų166145 Ų14587%0.86982%0.82SS**  trans83.326.1176.5-50.8177.9000118.4
409V25.1Very low24.8Very low140 Ų140145.2 Ų145.285%0.84882%0.822SS**  trans-101.491.4152.7179.60000109.3
410K23.8Very low24.9Very low195 Ų195145.7 Ų145.785%0.84882%0.82SS**  trans177.7152.3161.8-103.3152.5-173.3176.30111.3
411S23.2Very low24.8Very low116 Ų116149 Ų14981%0.81182%0.82SS**  trans67.6133.5-178.3820000113.8
412T25.9Very low24.8Very low122 Ų122148 Ų14875%0.74881%0.814SS**  cis-139.4129.4-11.549.30000107.5
413S22.4Very low24.7Very low100 Ų100148.1 Ų148.170%0.69980%0.804SS**  58.876.961.478.20000115.1
414Y24.6Very low24.8Very low236 Ų236152.2 Ų152.293%0.92581%0.805SS**  trans-157.7111.9141.8-120.5-76.2000110
415T23Very low24.8Very low132 Ų132151.3 Ų151.381%0.8180%0.801SS**  trans-135.1131.8176.246.30000108.6
416G26.9Very low24.9Very low65 Ų65153 Ų15367%0.6780%0.798SS**  trans-147.4117.1160.400000105.6
417D23.4Very low25.2Very low150 Ų150149.3 Ų149.380%0.80280%0.797SS**  77.782.166.5-65.5-7.7000111.4
418I25.9Very low25.5Very low159 Ų159150.6 Ų150.682%0.81580%0.799SS**  trans-137.1103.1139.1-72.399.6000106.2V420I418-V420 HydrophobicContact CG2-CG2 4.45Å
419D22.1Very low25.9Very low158 Ų158149.5 Ų149.585%0.84579%0.794SS**  trans-12188.5171-135.5-9.5000106.4
420V27Very low26.2Very low124 Ų124149.7 Ų149.775%0.75279%0.791SS**  trans-150.1132.8-177.1-176.10000108.7I418I418-V420 HydrophobicContact CG2-CG2 4.45Å
421F23.8Very low26.7Very low180 Ų180147.1 Ų147.179%0.78979%0.786SS**  cis176.8172.3-26.4-134.9-77.7000104.6
422I26.1Very low27.2Very low150 Ų150148.3 Ų148.377%0.76978%0.784SS**  trans76.6102.6158.6-64.8159000116.2
423N23.5Very low27.5Very low125 Ų125149.7 Ų149.767%0.66879%0.786SS**  trans-69.5155.7137.4-40.3-66.8000107.9
424Y28.1Very low27.9Very low193 Ų193152.7 Ų152.776%0.75780%0.795SS**  174.9135109.9-92.2-62.8000112.3
425D27.7Very low28.4Very low145 Ų145147.4 Ų147.478%0.77578%0.782SS**  trans53.6154143.7-54.4-15.1000122.8
426E27.8Very low29Very low187 Ų187149.6 Ų149.687%0.87478%0.783SS**  trans-88.4145177.4-56.8164.3137.800109.7
427D31Very low29.3Very low166 Ų166154.4 Ų154.489%0.88879%0.788SS**  trans-172.6164.2144.3-95.4-23.6000108.9
428D29.8Very low29.8Very low153 Ų153151.9 Ų151.982%0.81878%0.779SS**  trans-90.3-170.6-160.8-67.2-62.3000116.5
429D32.7Very low30.1Very low144 Ų144154 Ų15477%0.7778%0.776SS**  trans91.596159.2-59.9-15.1000120.6
430D31.9Very low30.7Very low144 Ų144151.8 Ų151.877%0.7776%0.764SS**  62.9145.5125.4-67.2-10.3000125.9
431D34.2Very low31.2Very low140 Ų140151.3 Ų151.375%0.74976%0.757SS**  trans76.5126.9152.7-65.8-12.5000124.8
432D33.3Very low31.6Very low142 Ų142146.4 Ų146.476%0.75974%0.739SS**  trans66.2117.4143.6-67-6.8000125.1
433D31.7Very low32Very low151 Ų151141.7 Ų141.781%0.80772%0.715SS**  trans33.798.5133.7-70.9-8.4000121.1
434D31.9Very low32.7Very low163 Ų163139.8 Ų139.887%0.87270%0.703SS**  -174.7153.6116.9-106.7-30.7000112.1
435D35Very low33.4Very low125 Ų125134 Ų13467%0.66869%0.685SS**  trans142.881.2156.7-89.3-14.5000114.7E437D435-E437 VanDerWaalsContact C-N 3.26Å; D435-E437 PolarHBondContact O-N 3.19Å
436E34.5Very low34.4Very low177 Ų177128.1 Ų128.183%0.82765%0.652SS**SBendtrans-80.52.1170.2-143.4-162.615400113.8
437E34.2Very low35.1Very low167 Ų167121 Ų12178%0.7862%0.62SS**SBendtrans-95.1-25.6-166.6-167.6151.9-137.300115.3D435 R439D435-E437 VanDerWaalsContact C-N 3.26Å; D435-E437 PolarHBondContact O-N 3.19Å; E437-R439 PolarHBondContact O-N 3.27Å
438T32.7Very low35.7Very low97 Ų97117.4 Ų117.460%0.59560%0.601SS**G310 helixtrans-63.7-14.9-176.6550000114.9N440T438-N440 VanDerWaalsContact C-N 3.3Å; T438-N440 PolarHBondContact O-N 2.94Å
439R32.8Very low36.4Very low204 Ų204111.9 Ų111.977%0.7757%0.571SS**G310 helixtrans-76.4-3-165.8-131.8176.5177.8101.5-0.4116.2E437E437-R439 PolarHBondContact O-N 3.27Å
440N35.1Very low37Very low110 Ų110106.6 Ų106.659%0.58854%0.544SS*.G310 helixtrans-101.9-30-173.9-72.3-55.6000115.2T438T438-N440 VanDerWaalsContact C-N 3.3Å; T438-N440 PolarHBondContact O-N 2.94Å
441N36.5Very low37Very low114 Ų114102.3 Ų102.361%0.6153%0.533SS*.THydrogen-bonded Turntrans-75.5-33.1-173.4-68.8-6.7000113.6N443 E444 D445N441-N443 PolarHBondContact O-N 3.36Å; N441-E444 WeakPolarHBondContact O-CA 3.39Å; N441-E444 WeakPolarHBondContact O-CB 3.28Å; N441-E444 PolarHBondContact O-N 3.29Å; N441-D445 PolarHBondContact O-N 3.43Å
442L34.2Very low37Very low78 Ų78100.2 Ų100.241%0.40852%0.521SS..Hα-helixtrans-56-27.1-177.6-66.3166.5000114.3E444L442-E444 VanDerWaalsContact C-N 3.31Å
443N33.5Very low36.9Very low50 Ų50101.6 Ų101.627%0.26752%0.52SS..Hα-helixtrans-73.4-21175.2-99.726.6000112.8N441 N447N441-N443 PolarHBondContact O-N 3.36Å; N443-N447 PolarHBondContact O-ND2 3.05Å
444E37.9Very low37.1Very low86 Ų8698.1 Ų98.140%0.40251%0.505SS..Hα-helixtrans-77.7-43.7173.6-57.9-118.692.500109.8N441 L442 W446 N447 N448 R464N441-E444 WeakPolarHBondContact O-CA 3.39Å; N441-E444 WeakPolarHBondContact O-CB 3.28Å; N441-E444 PolarHBondContact O-N 3.29Å; L442-E444 VanDerWaalsContact C-N 3.31Å; E444-W446 PolarHBondContact O-N 2.9Å; E444-N447 CarbonylContact O-C 3.54Å; E444-N447 WeakPolarHBondContact O-CA 3.45Å; E444-N447 WeakPolarHBondContact O-CB 3.35Å; E444-N447 PolarHBondContact O-N 3.48Å; E444-N448 PolarHBondContact O-N 3.39Å; E444-N448 PolarHBondContact O-ND2 2.93Å; E444-R464 IonicContact OE1-CZ 3.97Å; E444-R464 IonicContact OE1-NH1 3.47Å; E444-R464 PolarHBondContact OE1-NH1 3.09Å; E444-R464 IonicContact OE1-NH2 2.83Å; E444-R464 PolarHBondContact OE1-NH2 2.72Å
445D44.1Very low37.3Very low72 Ų7297.2 Ų97.239%0.38550%0.495SS..Hα-helixtrans-58.8-44.3-177.9-63.6-39.2000113.4N441 N447 N448 L449N441-D445 PolarHBondContact O-N 3.43Å; D445-N447 PolarHBondContact O-N 3.44Å; D445-N448 PolarHBondContact O-N 2.89Å; D445-N448 VanDerWaalsContact O-N 3.16Å; D445-L449 WeakPolarHBondContact O-CB 3.47Å; D445-L449 VanDerWaalsContact O-CG 3.3Å; D445-L449 WeakPolarHBondContact O-CG 3.42Å; D445-L449 PolarHBondContact O-N 2.96Å
446W46.9Very low37.3Very low20 Ų2095.2 Ų95.28%0.07649%0.485CS..Hα-helixtrans-63.9-31.7175.6-159.985.9000112.5E444 V450 Y460 R541 I545E444-W446 PolarHBondContact O-N 2.9Å; W446-V450 WeakPolarHBondContact O-CG2 3.4Å; W446-Y460 WeakPolarHBondContact CZ3-OH 3.05Å; W446-R541 VanDerWaalsContact CH2-CZ 3.47Å; W446-R541 HydrophobicContact CZ2-CG 4.45Å; W446-I545 HydrophobicContact CB-CD1 4.21Å
447N43Very low37.3Very low39 Ų3989.5 Ų89.521%0.20947%0.473CS..Hα-helixtrans-76.2-34.3174.3-74.2-58000112.1N443 E444 D445 G451 Y460N443-N447 PolarHBondContact O-ND2 3.05Å; E444-N447 CarbonylContact O-C 3.54Å; E444-N447 WeakPolarHBondContact O-CA 3.45Å; E444-N447 WeakPolarHBondContact O-CB 3.35Å; E444-N447 PolarHBondContact O-N 3.48Å; D445-N447 PolarHBondContact O-N 3.44Å; N447-G451 PolarHBondContact O-N 2.85Å; N447-Y460 HydrophobicContact CB-CE1 4.34Å; N447-Y460 WeakPolarHBondContact OD1-CE1 3.49Å
448N43.4Very low37.3Very low90 Ų9084.9 Ų84.948%0.48145%0.453SS..Hα-helixtrans-69.3-43.7176.4-66.8-25.6000111.2E444 D445 V450 G451 I452E444-N448 PolarHBondContact O-N 3.39Å; E444-N448 PolarHBondContact O-ND2 2.93Å; D445-N448 PolarHBondContact O-N 2.89Å; D445-N448 VanDerWaalsContact O-N 3.16Å; N448-V450 VanDerWaalsContact C-N 3.26Å; N448-V450 PolarHBondContact O-N 2.79Å; N448-G451 PolarHBondContact O-N 2.98Å; N448-G451 VanDerWaalsContact O-N 3.08Å; N448-I452 PolarHBondContact O-N 3.25Å
449L44.2Very low37.5Very low36 Ų3684.5 Ų84.519%0.18845%0.451CS..Hα-helixtrans-62.4-28.9179.1-75.8167.3000113.7D445 I545 Y548 K563D445-L449 WeakPolarHBondContact O-CB 3.47Å; D445-L449 VanDerWaalsContact O-CG 3.3Å; D445-L449 WeakPolarHBondContact O-CG 3.42Å; D445-L449 PolarHBondContact O-N 2.96Å; L449-I545 HydrophobicContact CD1-CG1 3.84Å; L449-Y548 HydrophobicContact CD1-CD2 4.42Å; L449-Y548 HydrophobicContact CD2-CD2 4.07Å; L449-Y548 HydrophobicContact CD2-CE1 4.48Å; L449-Y548 HydrophobicContact CD2-CE2 3.82Å; L449-K563 VanDerWaalsContact O-CE 3.31Å; L449-K563 WeakPolarHBondContact O-CE 3.4Å; L449-K563 PolarHBondContact O-NZ 3Å
450V45.1Very low37.6Very low34 Ų3478.2 Ų78.221%0.20643%0.427CS..Hα-helixtrans-92.7-23.1173.7-176.50000111.9W446 N448 I452 Y460W446-V450 WeakPolarHBondContact O-CG2 3.4Å; N448-V450 VanDerWaalsContact C-N 3.26Å; N448-V450 PolarHBondContact O-N 2.79Å; V450-I452 VanDerWaalsContact C-N 3.26Å; V450-I452 PolarHBondContact O-N 3.31Å; V450-Y460 HydrophobicContact CB-CE1 4.12Å; V450-Y460 HydrophobicContact CB-CE2 4.22Å; V450-Y460 WeakPolarHBondContact CB-OH 3.48Å; V450-Y460 HydrophobicContact CG1-CD2 4.19Å; V450-Y460 HydrophobicContact CG1-CE1 4.19Å; V450-Y460 HydrophobicContact CG1-CE2 3.49Å; V450-Y460 VanDerWaalsContact CG1-CE2 3.49Å; V450-Y460 VanDerWaalsContact CG1-CZ 3.47Å; V450-Y460 WeakPolarHBondContact CG1-OH 3.27Å
451G33.6Very low37.5Very low53 Ų5378.4 Ų78.455%0.54642%0.423SS..Hα-helixtrans-72.7-5177.600000116.1N447 N448 K453N447-G451 PolarHBondContact O-N 2.85Å; N448-G451 PolarHBondContact O-N 2.98Å; N448-G451 VanDerWaalsContact O-N 3.08Å; G451-K453 PolarHBondContact O-N 3.46Å; G451-K453 VanDerWaalsContact O-N 3.1Å
452I34Very low37.3Very low97 Ų9774.6 Ų74.650%0.49741%0.405SS..SBendtrans-79.396.5180-63.4167.6000110.7N448 V450N448-I452 PolarHBondContact O-N 3.25Å; V450-I452 VanDerWaalsContact C-N 3.26Å; V450-I452 PolarHBondContact O-N 3.31Å
453K31.4Very low37.2Very low170 Ų17074.9 Ų74.974%0.73941%0.406SS*.  trans37.683151.9-62.9-176.6-179.5178.60116.5G451G451-K453 PolarHBondContact O-N 3.46Å; G451-K453 VanDerWaalsContact O-N 3.1Å
454T34Very low37Very low78 Ų7877.9 Ų77.948%0.47941%0.414SS..  trans-123.2154.1147.7530000108.5D456T454-D456 PolarHBondContact O-N 3.14Å
455E36.6Very low36.7Very low145 Ų14580.5 Ų80.568%0.67842%0.424SS*.SBendtrans-69.5-14.3-169.7-68.2-172148.100114.4G457 I683E455-G457 PolarHBondContact O-N 2.81Å; E455-I683 HydrophobicContact CB-CD1 4.42Å; E455-I683 HydrophobicContact CG-CD1 3.94Å
456D36.5Very low36Very low83 Ų8380.9 Ų80.944%0.44443%0.426SS..  trans-78.332.8175.2-60.3-28.3000113.3T454 L458 R567T454-D456 PolarHBondContact O-N 3.14Å; D456-L458 PolarHBondContact O-N 3.46Å; D456-R567 IonicContact OD2-CZ 2.68Å; D456-R567 IonicContact OD2-NH1 3.83Å; D456-R567 PolarHBondContact OD2-NH1 2.87Å
457G32.7Very low35.4Very low56 Ų5682.6 Ų82.658%0.57744%0.44SS*.THydrogen-bonded Turntrans-70.153.5-164.200000117.1E455E455-G457 PolarHBondContact O-N 2.81Å
458L34.4Very low35Very low71 Ų7184.5 Ų84.537%0.37245%0.45SS..THydrogen-bonded Turntrans-133.8-20.9-160.1-65172.3000115.6D335 N336 D456D335-L458 WeakPolarHBondContact CB-O 3.44Å; N336-L458 HydrophobicContact CB-CD2 3.9Å; N336-L458 PolarHBondContact OD1-O 3.34Å; D456-L458 PolarHBondContact O-N 3.46Å
459V37.9Very low34.4Very low89 Ų8984.1 Ų84.154%0.53945%0.448SS..SBendtrans-94.6-8.5-168.3-177.20000114.5K461V459-K461 PolarHBondContact O-N 2.99Å
460Y34.9Very low33.9Very low72 Ų7284.7 Ų84.728%0.28245%0.453SS..SBendtrans-97.619.2-154.7-139.4-109000117.1W446 N447 V450W446-Y460 WeakPolarHBondContact CZ3-OH 3.05Å; N447-Y460 HydrophobicContact CB-CE1 4.34Å; N447-Y460 WeakPolarHBondContact OD1-CE1 3.49Å; V450-Y460 HydrophobicContact CB-CE1 4.12Å; V450-Y460 HydrophobicContact CB-CE2 4.22Å; V450-Y460 WeakPolarHBondContact CB-OH 3.48Å; V450-Y460 HydrophobicContact CG1-CD2 4.19Å; V450-Y460 HydrophobicContact CG1-CE1 4.19Å; V450-Y460 HydrophobicContact CG1-CE2 3.49Å; V450-Y460 VanDerWaalsContact CG1-CE2 3.49Å; V450-Y460 VanDerWaalsContact CG1-CZ 3.47Å; V450-Y460 WeakPolarHBondContact CG1-OH 3.27Å
461K32.1Very low33.5Very low113 Ų11389.5 Ų89.549%0.49147%0.467SS..SBendtrans-120.5-30.8-163.9-145170-176.7173.80115.9D335 S338 V459D335-K461 HydrophobicContact CB-CB 4.43Å; D335-K461 WeakPolarHBondContact OD2-CA 3.48Å; D335-K461 PolarHBondContact OD2-N 2.81Å; S338-K461 VanDerWaalsContact OG-CD 3.29Å; S338-K461 WeakPolarHBondContact OG-CD 3.45Å; S338-K461 PolarHBondContact OG-NZ 3.33Å; V459-K461 PolarHBondContact O-N 2.99Å
462S32Very low33.6Very low34 Ų3495.9 Ų95.924%0.23848%0.475CS..SBendtrans-82.4-30.6178.6-710000112.9D335 R464 K465 L466D335-S462 VanDerWaalsContact CG-OG 3.27Å; D335-S462 WeakPolarHBondContact OD1-CB 3.47Å; D335-S462 PolarHBondContact OD1-OG 2.85Å; D335-S462 WeakPolarHBondContact OD2-CB 3.45Å; D335-S462 PolarHBondContact OD2-N 2.87Å; D335-S462 PolarHBondContact OD2-OG 3.31Å; S462-R464 PolarHBondContact O-N 2.87Å; S462-K465 WeakPolarHBondContact O-CB 3.49Å; S462-K465 PolarHBondContact O-N 2.98Å; S462-L466 PolarHBondContact O-N 3.46Å
463I32.4Very low33.7Very low84 Ų8498.2 Ų98.243%0.43148%0.477SS..Hα-helixtrans-56.2-38.4174.5-57.5177.8000110.3K465 L466 S467I463-K465 VanDerWaalsContact C-N 3.29Å; I463-K465 PolarHBondContact O-N 2.72Å; I463-L466 PolarHBondContact O-N 2.84Å; I463-S467 PolarHBondContact O-N 2.76Å
464R31Very low34Very low113 Ų11395.8 Ų95.843%0.42647%0.472SS..Hα-helixtrans-65.8-24.2176.9-163167.8178.3172.40.3113.6E444 S462 I468E444-R464 IonicContact OE1-CZ 3.97Å; E444-R464 IonicContact OE1-NH1 3.47Å; E444-R464 PolarHBondContact OE1-NH1 3.09Å; E444-R464 IonicContact OE1-NH2 2.83Å; E444-R464 PolarHBondContact OE1-NH2 2.72Å; S462-R464 PolarHBondContact O-N 2.87Å; R464-I468 HydrophobicContact CG-CD1 4.38Å; R464-I468 WeakPolarHBondContact O-CD1 3.22Å; R464-I468 WeakPolarHBondContact O-CG1 3.48Å
465K30.4Very low34.3Very low142 Ų142100.7 Ų100.762%0.61749%0.487SS*.Hα-helixtrans-76.8-34.1172.9-77.3-175.8175.11780113S462 I463 N469S462-K465 WeakPolarHBondContact O-CB 3.49Å; S462-K465 PolarHBondContact O-N 2.98Å; I463-K465 VanDerWaalsContact C-N 3.29Å; I463-K465 PolarHBondContact O-N 2.72Å; K465-N469 PolarHBondContact O-ND2 3.14Å
466L29.1Very low34.2Very low80 Ų8098.4 Ų98.442%0.41949%0.487SS..Hα-helixtrans-70.8-52.5179-73.2162.2000110.7S462 I463 I468 N469 T470S462-L466 PolarHBondContact O-N 3.46Å; I463-L466 PolarHBondContact O-N 2.84Å; L466-I468 VanDerWaalsContact C-N 3.28Å; L466-I468 PolarHBondContact O-N 3.38Å; L466-I468 VanDerWaalsContact O-N 3.16Å; L466-N469 PolarHBondContact O-N 3.19Å; L466-T470 PolarHBondContact O-N 3.22Å; L466-T470 VanDerWaalsContact O-N 3.13Å; L466-T470 PolarHBondContact O-OG1 3.18Å
467S34Very low34.1Very low55 Ų55101.7 Ų101.739%0.38550%0.504SS..Hα-helixtrans-52.4-40.4-178.9-176.60000114.1I463 R471I463-S467 PolarHBondContact O-N 2.76Å; S467-R471 PolarHBondContact O-N 3Å
468I35.1Very low34.1Very low79 Ų79106.2 Ų106.241%0.40552%0.515SS..Hα-helixtrans-69.4-33.9179.3-66.7172.9000111.9R464 L466 R472R464-I468 HydrophobicContact CG-CD1 4.38Å; R464-I468 WeakPolarHBondContact O-CD1 3.22Å; R464-I468 WeakPolarHBondContact O-CG1 3.48Å; L466-I468 VanDerWaalsContact C-N 3.28Å; L466-I468 PolarHBondContact O-N 3.38Å; L466-I468 VanDerWaalsContact O-N 3.16Å; I468-R472 WeakPolarHBondContact O-CG 3.18Å; I468-R472 PolarHBondContact O-N 2.96Å
469N30.8Very low34.1Very low83 Ų83109.2 Ų109.244%0.44453%0.531SS..Hα-helixtrans-74.1-38.4178.4-74.7-27.7000112K465 L466 R472 R473K465-N469 PolarHBondContact O-ND2 3.14Å; L466-N469 PolarHBondContact O-N 3.19Å; N469-R472 PolarHBondContact O-N 2.86Å; N469-R473 PolarHBondContact O-N 2.7Å
470T34.1Very low34Very low47 Ų47112.3 Ų112.329%0.28854%0.539SS..Hα-helixtrans-63.7-42.9174.9-36.20000111.1L466 R472 R473L466-T470 PolarHBondContact O-N 3.22Å; L466-T470 VanDerWaalsContact O-N 3.13Å; L466-T470 PolarHBondContact O-OG1 3.18Å; T470-R472 VanDerWaalsContact C-N 3.28Å; T470-R472 PolarHBondContact O-N 2.88Å; T470-R473 PolarHBondContact O-N 2.83Å
471R36.7Very low33.7Very low135 Ų135115.6 Ų115.651%0.50956%0.562SS.*Hα-helixtrans-63.4-27.2173.4-82.2-167.7176.9-174.64.1113.9S467S467-R471 PolarHBondContact O-N 3Å
472R36Very low33.7Very low188 Ų188120 Ų12071%0.70958%0.581SS**Hα-helixtrans-81.7-27.2179.4-80179.7172.3176.8-2114.5I468 N469 T470I468-R472 WeakPolarHBondContact O-CG 3.18Å; I468-R472 PolarHBondContact O-N 2.96Å; N469-R472 PolarHBondContact O-N 2.86Å; T470-R472 VanDerWaalsContact C-N 3.28Å; T470-R472 PolarHBondContact O-N 2.88Å
473R36Very low33.3Very low145 Ų145127 Ų12755%0.54762%0.615SS.*Hα-helixtrans-73.3-27.7177.2-69.8178.4-176.4145.8-2.7113.2N469 T470 K475 E496N469-R473 PolarHBondContact O-N 2.7Å; T470-R473 PolarHBondContact O-N 2.83Å; R473-K475 PolarHBondContact O-N 3.48Å; R473-E496 IonicContact CZ-OE1 2.86Å; R473-E496 IonicContact NH1-OE1 3.93Å; R473-E496 PolarHBondContact NH1-OE1 2.89Å
474N38Very low33.2Very low119 Ų119126.7 Ų126.764%0.63663%0.625SS**THydrogen-bonded Turntrans-89.37.7-174.2-66.6-0.7000114.7
475K39.1Very low33.1Very low181 Ų181126.1 Ų126.179%0.78764%0.636SS**THydrogen-bonded Turntrans-111.725.6175.4-97.5-161173.9-166.20113.9R473R473-K475 PolarHBondContact O-N 3.48Å
476S35.3Very low32.9Very low97 Ų97127.8 Ų127.868%0.67864%0.644SS**SBendtrans-14333.5178.877.40000115
477L34.3Very low32.9Very low152 Ų152129.9 Ų129.980%0.79666%0.655SS**  trans-130.321.8-177.2-97.9133.6000114.7N479L477-N479 PolarHBondContact O-N 2.74Å
478D32Very low32.7Very low151 Ų151130.5 Ų130.581%0.80766%0.66SS**  trans-78.892.3162.1-69.3-56.4000110.3
479N35.4Very low32.4Very low135 Ų135132.4 Ų132.472%0.72267%0.67SS**  trans-179.9137.8134.8-100.3-65.3000113.5L477L477-N479 PolarHBondContact O-N 2.74Å
480H35.2Very low32.4Very low153 Ų153132.1 Ų132.171%0.70867%0.668SS**  trans60.4107.5160-61.1-42.4000121.6
481N29Very low32.3Very low141 Ų141134.7 Ų134.775%0.75468%0.68SS**  60.585.4122.6-58.5-18.1000120
482K31Very low31.9Very low205 Ų205133.2 Ų133.289%0.89168%0.682SS**  -175.2153.3112.9-103.9165.5-178.6175.20113.1A484K482-A484 PolarHBondContact O-N 2.83Å
483L25.3Very low31.7Very low181 Ų181128.4 Ų128.495%0.94867%0.67SS**  trans-63.4125.8168.5-82.667.6000110.1
484A28.7Very low31.4Very low78 Ų78123.8 Ų123.865%0.64565%0.653SS**  trans-135150160.600000108.4K482K482-A484 PolarHBondContact O-N 2.83Å
485P28.9Very low31Very low102 Ų102122.8 Ų122.866%0.66265%0.647SS**  trans-66140.5-174-21.934.2000113.3N487P485-N487 PolarHBondContact O-N 3.05Å
486F27.7Very low30.7Very low176 Ų176117.9 Ų117.977%0.77263%0.627SS**THydrogen-bonded Turntrans-53.8-22.2-176.9-108.6-105.1000115.3S488 L489F486-S488 PolarHBondContact O-N 2.96Å; F486-S488 VanDerWaalsContact O-N 3.13Å; F486-L489 PolarHBondContact O-N 3.25Å
487N29.1Very low30.6Very low124 Ų124116.8 Ų116.866%0.66361%0.613SS**Hα-helixtrans-63-19.6-173.6-62.510.6000114.5P485P485-N487 PolarHBondContact O-N 3.05Å
488S29.1Very low30.4Very low69 Ų69112.6 Ų112.648%0.48359%0.591SS.*Hα-helixtrans-76.3-34.3179.859.60000113.6F486F486-S488 PolarHBondContact O-N 2.96Å; F486-S488 VanDerWaalsContact O-N 3.13Å
489L28.4Very low30.6Very low118 Ų118108.6 Ų108.662%0.61858%0.575SS**Hα-helixtrans-72-35.4-178-128.873.5000111.9F486 N492F486-L489 PolarHBondContact O-N 3.25Å; L489-N492 PolarHBondContact O-N 3.17Å
490I31.6Very low30.6Very low78 Ų78108.5 Ų108.540%0.457%0.57SS.*Hα-helixtrans-61.3-46.3177.5-59.6174.6000110.2N492 Y494I490-N492 PolarHBondContact O-N 3.26Å; I490-Y494 HydrophobicContact CG2-CD2 4.19Å; I490-Y494 HydrophobicContact CG2-CE2 4.26Å; I490-Y494 WeakPolarHBondContact O-CD2 3.25Å; I490-Y494 PolarHBondContact O-N 2.92Å
491N30.6Very low30.6Very low101 Ų101102.9 Ų102.954%0.5454%0.544SS..Hα-helixtrans-58.8-46.9179.2-86.5-8.8000112.8N493 Y494 I495N491-N493 PolarHBondContact O-N 3.06Å; N491-Y494 PolarHBondContact O-N 2.85Å; N491-I495 HydrophobicContact CB-CD1 4.37Å; N491-I495 WeakPolarHBondContact O-CB 3.37Å; N491-I495 WeakPolarHBondContact O-CD1 3.37Å; N491-I495 WeakPolarHBondContact O-CG1 3.19Å; N491-I495 PolarHBondContact O-N 3.35Å
492N29.3Very low30.9Very low103 Ų103102.3 Ų102.355%0.55154%0.541SS*.Hα-helixtrans-65.6-39.3-171.5-74.2-8.7000113.4L489 I490L489-N492 PolarHBondContact O-N 3.17Å; I490-N492 PolarHBondContact O-N 3.26Å
493N32.4Very low30.8Very low88 Ų8897.6 Ų97.647%0.47153%0.525SS..Hα-helixtrans-71.7-33.4177.3-69.2-10.1000112.1N491N491-N493 PolarHBondContact O-N 3.06Å
494Y29.9Very low31.2Very low48 Ų4891.8 Ų91.819%0.18849%0.494CS..Hα-helixtrans-78.9-20.7178.5-79.2-112.6000112.8L97 I490 N491 L497 N498 M508L97-Y494 WeakPolarHBondContact CD1-OH 2.96Å; I490-Y494 HydrophobicContact CG2-CD2 4.19Å; I490-Y494 HydrophobicContact CG2-CE2 4.26Å; I490-Y494 WeakPolarHBondContact O-CD2 3.25Å; I490-Y494 PolarHBondContact O-N 2.92Å; N491-Y494 PolarHBondContact O-N 2.85Å; Y494-L497 PolarHBondContact O-N 3.34Å; Y494-N498 PolarHBondContact O-N 3.24Å; Y494-N498 PolarHBondContact O-ND2 3.01Å; Y494-M508 HydrophobicContact CD1-CE 4.01Å; Y494-M508 HydrophobicContact CD1-SD 3.92Å; Y494-M508 HydrophobicContact CE1-CE 3.45Å; Y494-M508 VanDerWaalsContact CE1-CE 3.45Å; Y494-M508 HydrophobicContact CE1-SD 3.81Å
495I29.5Very low31.6Very low98 Ų9897.6 Ų97.650%0.50351%0.505SS..Hα-helixtrans-68.3-35.9173.5-75.2162.3000112N491 L497 N498 S499N491-I495 HydrophobicContact CB-CD1 4.37Å; N491-I495 WeakPolarHBondContact O-CB 3.37Å; N491-I495 WeakPolarHBondContact O-CD1 3.37Å; N491-I495 WeakPolarHBondContact O-CG1 3.19Å; N491-I495 PolarHBondContact O-N 3.35Å; I495-L497 VanDerWaalsContact C-N 3.35Å; I495-N498 PolarHBondContact O-N 3.16Å; I495-S499 PolarHBondContact O-N 3.48Å
496E32.2Very low32.3Very low77 Ų7794.8 Ų94.836%0.3648%0.484SS..Hα-helixtrans-66-36173.1-75.8-171.8163.900111.2R473 S499R473-E496 IonicContact CZ-OE1 2.86Å; R473-E496 IonicContact NH1-OE1 3.93Å; R473-E496 PolarHBondContact NH1-OE1 2.89Å; E496-S499 WeakPolarHBondContact O-CB 3.17Å; E496-S499 PolarHBondContact O-N 3.32Å; E496-S499 PolarHBondContact O-OG 2.69Å
497L32.5Very low33.1Very low75 Ų7589 Ų8939%0.39347%0.465SS..Hα-helixtrans-65.8-43.1173.4-72.9168.5000113.1Y494 I495 S499 H500 F501Y494-L497 PolarHBondContact O-N 3.34Å; I495-L497 VanDerWaalsContact C-N 3.35Å; L497-S499 PolarHBondContact O-N 3.01Å; L497-S499 VanDerWaalsContact O-N 3.15Å; L497-H500 PolarHBondContact O-N 2.8Å; L497-F501 PolarHBondContact O-N 2.61Å; L497-F501 VanDerWaalsContact O-N 3.09Å
498N31.6Very low34Very low63 Ų6385.7 Ų85.734%0.33745%0.447SS..Hα-helixtrans-57.9-25.6175.5-85.2-44.9000113.5Y494 I495 H500 F501 L504Y494-N498 PolarHBondContact O-N 3.24Å; Y494-N498 PolarHBondContact O-ND2 3.01Å; I495-N498 PolarHBondContact O-N 3.16Å; N498-H500 PolarHBondContact O-N 3.42Å; N498-F501 CarbonylContact O-C 3.53Å; N498-L504 VanDerWaalsContact OD1-CB 3.24Å; N498-L504 WeakPolarHBondContact OD1-CB 3.28Å; N498-L504 WeakPolarHBondContact OD1-CD1 3.42Å
499S34.6Very low34.9Very low68 Ų6888 Ų8848%0.47645%0.454SS..THydrogen-bonded Turntrans-65.3-26.4-179.474.20000113.7I495 E496 L497 N502I495-S499 PolarHBondContact O-N 3.48Å; E496-S499 WeakPolarHBondContact O-CB 3.17Å; E496-S499 PolarHBondContact O-N 3.32Å; E496-S499 PolarHBondContact O-OG 2.69Å; L497-S499 PolarHBondContact O-N 3.01Å; L497-S499 VanDerWaalsContact O-N 3.15Å; S499-N502 PolarHBondContact O-ND2 3.1Å; S499-N502 VanDerWaalsContact O-ND2 3.16Å
500H37.1Very low36Very low133 Ų13387.7 Ų87.762%0.61645%0.449SS*.THydrogen-bonded Turntrans-105-37.1177.3-70.559.2000111.4L497 N498 N502L497-H500 PolarHBondContact O-N 2.8Å; N498-H500 PolarHBondContact O-N 3.42Å; H500-N502 VanDerWaalsContact C-N 3.29Å; H500-N502 PolarHBondContact O-N 3.43Å
501F35.2Very low37Very low35 Ų3584.7 Ų84.715%0.15443%0.434CS..SBendtrans-83.169.5170.7-79.1-83.3000112.2L497 N498 L503 I529 K532 I569L497-F501 PolarHBondContact O-N 2.61Å; L497-F501 VanDerWaalsContact O-N 3.09Å; N498-F501 CarbonylContact O-C 3.53Å; F501-L503 PolarHBondContact O-N 3.43Å; F501-I529 HydrophobicContact CD1-CG1 4.27Å; F501-K532 HydrophobicContact CE2-CG 4.16Å; F501-K532 HydrophobicContact CZ-CG 4.4Å; F501-I569 HydrophobicContact CZ-CD1 4.1Å; F501-I569 HydrophobicContact CZ-CG1 4.33Å
502N33.8Very low38Very low129 Ų12983.1 Ų83.169%0.6943%0.425SS*.THydrogen-bonded Turntrans-72.946.2-177.4-106-57.9000114.7S499 H500S499-N502 PolarHBondContact O-ND2 3.1Å; S499-N502 VanDerWaalsContact O-ND2 3.16Å; H500-N502 VanDerWaalsContact C-N 3.29Å; H500-N502 PolarHBondContact O-N 3.43Å
503L29.9Very low39.2Very low105 Ų10582.1 Ų82.155%0.5542%0.42SS..THydrogen-bonded Turntrans-161.332.8163.7-113.4168000114.4F501 K505F501-L503 PolarHBondContact O-N 3.43Å; L503-K505 VanDerWaalsContact C-N 3.27Å; L503-K505 PolarHBondContact O-N 2.94Å
504L33Very low40.3Very low60 Ų6078.5 Ų78.531%0.31440%0.4SS..  trans-69.380.5175.5-120.7175.4000112.1N498 L506 I529N498-L504 VanDerWaalsContact OD1-CB 3.24Å; N498-L504 WeakPolarHBondContact OD1-CB 3.28Å; N498-L504 WeakPolarHBondContact OD1-CD1 3.42Å; L504-L506 HydrophobicContact CD2-CB 3.57Å; L504-L506 WeakPolarHBondContact CD2-O 3.17Å; L504-L506 PolarHBondContact O-N 2.83Å; L504-I529 HydrophobicContact CD1-CD1 4.13Å; L504-I529 HydrophobicContact CD2-CD1 3.74Å; L504-I529 HydrophobicContact CG-CD1 3.61Å
505K37.4Very low41.1Very low199 Ų19982.6 Ų82.687%0.86543%0.426SS*.  trans-84.23.2174-149.4-176.9-177.5-173.50113L503L503-K505 VanDerWaalsContact C-N 3.27Å; L503-K505 PolarHBondContact O-N 2.94Å
506L42.6Very low42.2Very low44 Ų4485.1 Ų85.123%0.2343%0.43CS..  trans-92.3124.8177.9-14074.3000107.9L504 Q510 L511 S526L504-L506 HydrophobicContact CD2-CB 3.57Å; L504-L506 WeakPolarHBondContact CD2-O 3.17Å; L504-L506 PolarHBondContact O-N 2.83Å; L506-Q510 HydrophobicContact CG-CB 4.16Å; L506-L511 HydrophobicContact CD2-CD1 4.18Å; L506-L511 HydrophobicContact CD2-CD2 4.16Å; L506-L511 HydrophobicContact CD2-CG 3.8Å; L506-S526 WeakPolarHBondContact CD2-OG 3.22Å
507S45.8Very low43.2Very low53 Ų5382.4 Ų82.437%0.37142%0.418SS..  trans-79.1154.7167.376.40000110D509 Q510S507-D509 WeakPolarHBondContact CB-OD2 3.38Å; S507-D509 PolarHBondContact O-N 3.26Å; S507-D509 VanDerWaalsContact O-N 3.08Å; S507-D509 PolarHBondContact OG-OD2 3.3Å; S507-Q510 PolarHBondContact O-N 3.46Å
508M47.8Very low44.2Very low55 Ų5583.6 Ų83.627%0.27142%0.42SS..Hα-helixtrans-59.7-20.9175.8-69.9-64.3-74.200112.4L97 Y494 Q510 L511 N512L97-M508 HydrophobicContact CD1-CE 3.62Å; Y494-M508 HydrophobicContact CD1-CE 4.01Å; Y494-M508 HydrophobicContact CD1-SD 3.92Å; Y494-M508 HydrophobicContact CE1-CE 3.45Å; Y494-M508 VanDerWaalsContact CE1-CE 3.45Å; Y494-M508 HydrophobicContact CE1-SD 3.81Å; M508-Q510 VanDerWaalsContact C-N 3.34Å; M508-L511 PolarHBondContact O-N 3.06Å; M508-L511 HydrophobicContact SD-CD1 4.09Å; M508-N512 PolarHBondContact O-N 2.85Å; M508-N512 VanDerWaalsContact O-N 3.1Å; M508-N512 PolarHBondContact O-ND2 3.06Å
509D47.3Very low45.2Very low118 Ų11889.3 Ų89.363%0.63144%0.442SS*.Hα-helixtrans-64.7-37.4174.2-36.2-74.4000111.6S507 N512 D513S507-D509 WeakPolarHBondContact CB-OD2 3.38Å; S507-D509 PolarHBondContact O-N 3.26Å; S507-D509 VanDerWaalsContact O-N 3.08Å; S507-D509 PolarHBondContact OG-OD2 3.3Å; D509-N512 PolarHBondContact O-N 3.08Å; D509-N512 VanDerWaalsContact O-N 3.16Å; D509-D513 PolarHBondContact O-N 3.22Å
510Q51Low46.4Very low112 Ų11290.8 Ų90.852%0.52344%0.441SS..Hα-helixtrans-72.5-28.1178.2-68.3-169.1-34.700113.2L506 S507 M508 N512L506-Q510 HydrophobicContact CG-CB 4.16Å; S507-Q510 PolarHBondContact O-N 3.46Å; M508-Q510 VanDerWaalsContact C-N 3.34Å; Q510-N512 VanDerWaalsContact C-N 3.34Å
511L53Low48Very low15 Ų1589.9 Ų89.98%0.07944%0.435CS..Hα-helixtrans-74.8-25.9168.7-79.9163.1000112.3L506 M508 L514 I530L506-L511 HydrophobicContact CD2-CD1 4.18Å; L506-L511 HydrophobicContact CD2-CD2 4.16Å; L506-L511 HydrophobicContact CD2-CG 3.8Å; M508-L511 PolarHBondContact O-N 3.06Å; M508-L511 HydrophobicContact SD-CD1 4.09Å; L511-L514 WeakPolarHBondContact O-CD1 3.37Å; L511-I530 HydrophobicContact CD2-CD1 4.18Å; L511-I530 HydrophobicContact CD2-CG1 4.1Å
512N51.5Low50Low68 Ų6888.4 Ų88.436%0.36443%0.429SS..Hα-helixtrans-78.1-25.2179.4-87.8-64.1000113.8R100 M508 D509 Q510 L514R100-N512 PolarHBondContact NH1-OD1 3.15Å; R100-N512 PolarHBondContact NH2-O 3.46Å; M508-N512 PolarHBondContact O-N 2.85Å; M508-N512 VanDerWaalsContact O-N 3.1Å; M508-N512 PolarHBondContact O-ND2 3.06Å; D509-N512 PolarHBondContact O-N 3.08Å; D509-N512 VanDerWaalsContact O-N 3.16Å; Q510-N512 VanDerWaalsContact C-N 3.34Å; N512-L514 PolarHBondContact O-N 3.12Å; N512-L514 VanDerWaalsContact O-N 3.14Å
513D55.7Low52.3Low81 Ų8183.9 Ų83.943%0.43341%0.407SS..  trans-86.473177.1-166.10.1000113D509 N515 Y516D509-D513 PolarHBondContact O-N 3.22Å; D513-N515 PolarHBondContact O-N 2.95Å; D513-N515 VanDerWaalsContact O-N 3.09Å; D513-N515 WeakPolarHBondContact OD1-CB 3.44Å; D513-N515 PolarHBondContact OD1-N 3.45Å; D513-Y516 WeakPolarHBondContact O-CB 3.43Å; D513-Y516 PolarHBondContact O-N 2.87Å; D513-Y516 VanDerWaalsContact O-N 3.09Å
514L54.4Low54.9Low12 Ų1279.1 Ų79.16%0.06338%0.382CS..Hα-helixtrans-61.3-14.3176-92.388.7000114.2R100 L511 N512 Y516 L517 K518R100-L514 HydrophobicContact CB-CD1 4.16Å; R100-L514 HydrophobicContact CB-CD2 4.27Å; R100-L514 WeakPolarHBondContact O-CD2 3.16Å; L511-L514 WeakPolarHBondContact O-CD1 3.37Å; N512-L514 PolarHBondContact O-N 3.12Å; N512-L514 VanDerWaalsContact O-N 3.14Å; L514-Y516 VanDerWaalsContact C-N 3.28Å; L514-L517 HydrophobicContact CG-CD1 4.28Å; L514-L517 PolarHBondContact O-N 3.36Å; L514-K518 WeakPolarHBondContact O-CB 3.46Å; L514-K518 WeakPolarHBondContact O-CG 3.24Å; L514-K518 PolarHBondContact O-N 3.15Å
515N47.9Very low57.2Low134 Ų13478.5 Ų78.572%0.71738%0.379SS*.Hα-helixtrans-71.3-27.7175.2-68.7-47.6000111.9D513D513-N515 PolarHBondContact O-N 2.95Å; D513-N515 VanDerWaalsContact O-N 3.09Å; D513-N515 WeakPolarHBondContact OD1-CB 3.44Å; D513-N515 PolarHBondContact OD1-N 3.45Å
516Y51.3Low59.3Low152 Ų15269.5 Ų69.560%0.59634%0.342SS*.Hα-helixtrans-69.5-48169-169.7-97.1000110.7D513 L514 K518 K519 H520D513-Y516 WeakPolarHBondContact O-CB 3.43Å; D513-Y516 PolarHBondContact O-N 2.87Å; D513-Y516 VanDerWaalsContact O-N 3.09Å; L514-Y516 VanDerWaalsContact C-N 3.28Å; Y516-K518 PolarHBondContact O-N 2.85Å; Y516-K519 PolarHBondContact O-N 3.41Å; Y516-H520 AromaticContact CD2-CD2 3.86Å; Y516-H520 AromaticContact CE2-CD2 3.78Å; Y516-H520 AromaticContact CZ-CD2 3.98Å; Y516-H520 PolarHBondContact O-CD2 3.33Å; Y516-H520 VanDerWaalsContact O-CD2 3.27Å; Y516-H520 PolarHBondContact O-N 2.95Å
517L53.7Low61.4Low20 Ų2067.5 Ų67.511%0.10533%0.331CS..Hα-helixtrans-62.7-42.2-178.4-71.5169.7000113.1Y104 L514 K519 H520 I522Y104-L517 HydrophobicContact CD2-CB 4.06Å; Y104-L517 HydrophobicContact CE1-CB 4.44Å; Y104-L517 HydrophobicContact CE1-CD2 4.32Å; Y104-L517 HydrophobicContact CE2-CB 3.67Å; Y104-L517 VanDerWaalsContact CE2-O 3.3Å; Y104-L517 WeakPolarHBondContact CE2-O 3.41Å; L514-L517 HydrophobicContact CG-CD1 4.28Å; L514-L517 PolarHBondContact O-N 3.36Å; L517-K519 PolarHBondContact O-N 3.32Å; L517-H520 PolarHBondContact O-N 3Å; L517-I522 HydrophobicContact CD2-CD1 4.43Å
518K53.3Low63.4Low100 Ų10065 Ų6544%0.43531%0.314SS..THydrogen-bonded Turntrans-65.5-3.5-178.7-75.2-172.8-176-176.40115.4E103 L514 Y516E103-K518 IonicContact OE1-NZ 3.74Å; E103-K518 PolarHBondContact OE1-NZ 2.82Å; E103-K518 IonicContact OE2-NZ 3.84Å; E103-K518 PolarHBondContact OE2-NZ 2.7Å; L514-K518 WeakPolarHBondContact O-CB 3.46Å; L514-K518 WeakPolarHBondContact O-CG 3.24Å; L514-K518 PolarHBondContact O-N 3.15Å; Y516-K518 PolarHBondContact O-N 2.85Å
519K52.8Low65.1Low183 Ų18363.4 Ų63.480%0.79631%0.306SS*.THydrogen-bonded Turntrans-125.1-5.1175.3-76.5-173.2175.7179.50114.9Y516 L517Y516-K519 PolarHBondContact O-N 3.41Å; L517-K519 PolarHBondContact O-N 3.32Å
520H59.1Low67.1Low99 Ų9957.8 Ų57.846%0.45828%0.276SS..SBendtrans-130.6145.9-170.7-65.4-49.4000112.4Y516 L517Y516-H520 AromaticContact CD2-CD2 3.86Å; Y516-H520 AromaticContact CE2-CD2 3.78Å; Y516-H520 AromaticContact CZ-CD2 3.98Å; Y516-H520 PolarHBondContact O-CD2 3.33Å; Y516-H520 VanDerWaalsContact O-CD2 3.27Å; Y516-H520 PolarHBondContact O-N 2.95Å; L517-H520 PolarHBondContact O-N 3Å
521K70.6Confident69Low114 Ų11452.4 Ų52.450%0.49625%0.251SS..PPolyproline II helixtrans-57.3142.5170.3-62.1-177.5177.7-134.50109.6D118 F119 I121D118-K521 WeakPolarHBondContact O-CD 3.46Å; D118-K521 WeakPolarHBondContact O-CE 3.48Å; D118-K521 WeakPolarHBondContact O-CG 3.41Å; D118-K521 PolarHBondContact O-NZ 3.31Å; F119-K521 CarbonylContact O-C 3.55Å; F119-K521 WeakPolarHBondContact O-CA 3.36Å; F119-K521 VanDerWaalsContact O-CB 3.3Å; F119-K521 WeakPolarHBondContact O-CB 3.01Å; I121-K521 HydrophobicContact CD1-CB 3.9Å; I121-K521 WeakPolarHBondContact CD1-O 3.43Å; I121-K521 HydrophobicContact CG1-CB 3.35Å; I121-K521 HydrophobicContact CG1-CD 4.25Å; I121-K521 HydrophobicContact CG1-CG 4.46Å
522I78.6Confident70.7Confident3 Ų352.8 Ų52.82%0.01525%0.252CS..EExtended strand (participates in β ladder)trans-91.1140-178.2-175160.3000111.7Y104 F119 I120 I121 L517 L527 I530Y104-I522 HydrophobicContact CE1-CD1 3.96Å; F119-I522 HydrophobicContact CD1-CG2 3.83Å; F119-I522 HydrophobicContact CD2-CG2 4.31Å; F119-I522 HydrophobicContact CE1-CG2 3.49Å; F119-I522 VanDerWaalsContact CE1-CG2 3.49Å; F119-I522 HydrophobicContact CE2-CG2 3.99Å; F119-I522 HydrophobicContact CG-CG2 4.24Å; F119-I522 HydrophobicContact CZ-CB 4.38Å; F119-I522 HydrophobicContact CZ-CG2 3.58Å; F119-I522 PolarHBondContact O-N 2.95Å; I120-I522 CarbonylContact C-O 3.47Å; I120-I522 WeakPolarHBondContact CA-O 3.39Å; I121-I522 PolarHBondContact N-O 2.73Å; L517-I522 HydrophobicContact CD2-CD1 4.43Å; I522-L527 HydrophobicContact CD1-CB 4.1Å; I522-L527 HydrophobicContact CG1-CB 4.17Å; I522-L527 HydrophobicContact CG2-CB 4Å; I522-L527 HydrophobicContact CG2-CD1 4.33Å; I522-L527 HydrophobicContact CG2-CD2 4.06Å; I522-L527 HydrophobicContact CG2-CG 4.37Å; I522-I530 HydrophobicContact CD1-CD1 3.39Å
523S82.3Confident72.5Confident35 Ų3550.6 Ų50.625%0.24524%0.24CC..EExtended strand (participates in β ladder)trans-68.6146.8172.967.60000112I121 N525 S526 L527I121-S523 WeakPolarHBondContact O-CA 3.37Å; S523-N525 VanDerWaalsContact C-N 3.34Å; S523-N525 PolarHBondContact O-N 2.66Å; S523-S526 WeakPolarHBondContact O-CB 3.42Å; S523-S526 PolarHBondContact O-N 3.07Å; S523-S526 WeakPolarHBondContact OG-CB 3.47Å; S523-S526 PolarHBondContact OG-OG 3.33Å; S523-L527 PolarHBondContact O-N 3.35Å
524L84Confident74.2Confident4 Ų446.8 Ų46.82%0.02122%0.219CC..Hα-helixtrans-41.3-57.2176.2171.557.9000112.9L72 I121 F122 Y126 S526 L527 Q528L72-L524 HydrophobicContact CD1-CD1 3.36Å; I121-L524 PolarHBondContact O-N 2.91Å; F122-L524 HydrophobicContact CD1-CB 4.39Å; F122-L524 HydrophobicContact CD1-CD2 3.9Å; F122-L524 HydrophobicContact CE1-CB 4.34Å; F122-L524 HydrophobicContact CE1-CD1 3.92Å; F122-L524 HydrophobicContact CE1-CD2 3.84Å; F122-L524 HydrophobicContact CE1-CG 4.24Å; F122-L524 HydrophobicContact CZ-CD1 4.43Å; Y126-L524 HydrophobicContact CD2-CD2 4.21Å; Y126-L524 HydrophobicContact CE2-CD2 3.52Å; L524-S526 PolarHBondContact O-N 3.23Å; L524-L527 PolarHBondContact O-N 2.91Å; L524-L527 VanDerWaalsContact O-N 3.13Å; L524-Q528 VanDerWaalsContact C-OE1 3.26Å; L524-Q528 HydrophobicContact CD1-CG 4.13Å; L524-Q528 VanDerWaalsContact CG-OE1 3.3Å; L524-Q528 WeakPolarHBondContact O-CG 3.42Å; L524-Q528 PolarHBondContact O-N 3.32Å; L524-Q528 PolarHBondContact O-OE1 3.5Å; L524-Q528 VanDerWaalsContact O-OE1 3.14Å
525N81.4Confident76Confident48 Ų4846.2 Ų46.226%0.25722%0.216SC..Hα-helixtrans-61.3-41.7-178.9-64.674000112.9S523 L527 Q528 I529 D571S523-N525 VanDerWaalsContact C-N 3.34Å; S523-N525 PolarHBondContact O-N 2.66Å; N525-L527 VanDerWaalsContact C-N 3.3Å; N525-L527 PolarHBondContact O-N 3.22Å; N525-Q528 PolarHBondContact O-N 2.84Å; N525-I529 VanDerWaalsContact O-CD1 3.27Å; N525-I529 WeakPolarHBondContact O-CD1 3.42Å; N525-I529 VanDerWaalsContact O-CG1 3.23Å; N525-I529 WeakPolarHBondContact O-CG1 3.3Å; N525-I529 PolarHBondContact O-N 3.36Å; N525-I529 VanDerWaalsContact O-N 3.11Å; N525-D571 PolarHBondContact ND2-OD1 2.83Å; N525-D571 VanDerWaalsContact ND2-OD1 3.14Å
526S81.3Confident77.9Confident10 Ų1042.8 Ų42.87%0.0720%0.198CC..Hα-helixtrans-61.4-40.3176-55.60000111.5L506 S523 L524 I529 I530L506-S526 WeakPolarHBondContact CD2-OG 3.22Å; S523-S526 WeakPolarHBondContact O-CB 3.42Å; S523-S526 PolarHBondContact O-N 3.07Å; S523-S526 WeakPolarHBondContact OG-CB 3.47Å; S523-S526 PolarHBondContact OG-OG 3.33Å; L524-S526 PolarHBondContact O-N 3.23Å; S526-I529 PolarHBondContact O-N 3.33Å; S526-I530 WeakPolarHBondContact O-CB 3.47Å; S526-I530 VanDerWaalsContact O-CG1 3.27Å; S526-I530 WeakPolarHBondContact O-CG1 3.45Å; S526-I530 PolarHBondContact O-N 3.47Å
527L87.1Confident79.8Confident1 Ų137.1 Ų37.11%0.00518%0.177CC..Hα-helixtrans-70.5-42.4179.9-177.256.2000112.4T76 L105 F119 I120 I522 S523 L524 N525 I529 I530 M531T76-L527 HydrophobicContact CG2-CD1 3.83Å; L105-L527 HydrophobicContact CD2-CD1 4.22Å; F119-L527 HydrophobicContact CD1-CD2 4.27Å; F119-L527 HydrophobicContact CE1-CD1 3.97Å; F119-L527 HydrophobicContact CE1-CD2 4.2Å; I120-L527 HydrophobicContact CD1-CD2 3.67Å; I120-L527 HydrophobicContact CG1-CD2 3.7Å; I120-L527 HydrophobicContact CG2-CD2 4.46Å; I522-L527 HydrophobicContact CD1-CB 4.1Å; I522-L527 HydrophobicContact CG1-CB 4.17Å; I522-L527 HydrophobicContact CG2-CB 4Å; I522-L527 HydrophobicContact CG2-CD1 4.33Å; I522-L527 HydrophobicContact CG2-CD2 4.06Å; I522-L527 HydrophobicContact CG2-CG 4.37Å; S523-L527 PolarHBondContact O-N 3.35Å; L524-L527 PolarHBondContact O-N 2.91Å; L524-L527 VanDerWaalsContact O-N 3.13Å; N525-L527 VanDerWaalsContact C-N 3.3Å; N525-L527 PolarHBondContact O-N 3.22Å; L527-I529 VanDerWaalsContact C-N 3.28Å; L527-I529 PolarHBondContact O-N 3.49Å; L527-I530 PolarHBondContact O-N 2.8Å; L527-M531 HydrophobicContact CD1-CG 4.24Å; L527-M531 HydrophobicContact CG-CE 4.18Å; L527-M531 WeakPolarHBondContact O-CG 3.49Å; L527-M531 PolarHBondContact O-N 2.89Å
528Q87.4Confident81.5Confident2 Ų239.5 Ų39.51%0.00919%0.189CC..Hα-helixtrans-56.1-43.8173.5-70.8161.2-70.800111.3L524 N525 K532 I569 Q570L524-Q528 VanDerWaalsContact C-OE1 3.26Å; L524-Q528 HydrophobicContact CD1-CG 4.13Å; L524-Q528 VanDerWaalsContact CG-OE1 3.3Å; L524-Q528 WeakPolarHBondContact O-CG 3.42Å; L524-Q528 PolarHBondContact O-N 3.32Å; L524-Q528 PolarHBondContact O-OE1 3.5Å; L524-Q528 VanDerWaalsContact O-OE1 3.14Å; N525-Q528 PolarHBondContact O-N 2.84Å; Q528-K532 WeakPolarHBondContact O-CB 3.3Å; Q528-K532 PolarHBondContact O-N 2.9Å; Q528-I569 HydrophobicContact CB-CB 4.2Å; Q528-I569 HydrophobicContact CG-CB 4.38Å; Q528-I569 PolarHBondContact NE2-O 3.2Å; Q528-Q570 PolarHBondContact NE2-O 3.26Å
529I84.5Confident83.3Confident20 Ų2036.2 Ų36.210%0.10318%0.175CC..Hα-helixtrans-68.4-44.5179-66.9161.2000111.6F501 L504 N525 S526 L527 K532 I533F501-I529 HydrophobicContact CD1-CG1 4.27Å; L504-I529 HydrophobicContact CD1-CD1 4.13Å; L504-I529 HydrophobicContact CD2-CD1 3.74Å; L504-I529 HydrophobicContact CG-CD1 3.61Å; N525-I529 VanDerWaalsContact O-CD1 3.27Å; N525-I529 WeakPolarHBondContact O-CD1 3.42Å; N525-I529 VanDerWaalsContact O-CG1 3.23Å; N525-I529 WeakPolarHBondContact O-CG1 3.3Å; N525-I529 PolarHBondContact O-N 3.36Å; N525-I529 VanDerWaalsContact O-N 3.11Å; S526-I529 PolarHBondContact O-N 3.33Å; L527-I529 VanDerWaalsContact C-N 3.28Å; L527-I529 PolarHBondContact O-N 3.49Å; I529-K532 PolarHBondContact O-N 3.07Å; I529-I533 HydrophobicContact CG2-CD1 3.74Å; I529-I533 HydrophobicContact CG2-CG1 4.36Å; I529-I533 WeakPolarHBondContact O-CG1 3.15Å; I529-I533 PolarHBondContact O-N 3.4Å
530I88Confident85.2Confident0 Ų027.6 Ų27.60%014%0.138CC..Hα-helixtrans-61.3-46.2177.1-73.5171.4000111.1L101 Y104 L105 L511 I522 S526 L527 K532 I533 I534L101-I530 HydrophobicContact CB-CG2 4.2Å; L101-I530 HydrophobicContact CD1-CB 4.49Å; L101-I530 HydrophobicContact CD1-CG1 4.06Å; L101-I530 HydrophobicContact CD1-CG2 4.25Å; L101-I530 HydrophobicContact CD2-CD1 3.73Å; L101-I530 HydrophobicContact CD2-CG1 3.73Å; L101-I530 HydrophobicContact CD2-CG2 4.17Å; L101-I530 HydrophobicContact CG-CG1 4.48Å; L101-I530 HydrophobicContact CG-CG2 4.44Å; Y104-I530 HydrophobicContact CD1-CD1 4.43Å; Y104-I530 HydrophobicContact CE1-CD1 4.45Å; L105-I530 HydrophobicContact CD1-CG2 4.08Å; L105-I530 HydrophobicContact CD2-CG2 4.21Å; L105-I530 HydrophobicContact CG-CG2 4.15Å; L511-I530 HydrophobicContact CD2-CD1 4.18Å; L511-I530 HydrophobicContact CD2-CG1 4.1Å; I522-I530 HydrophobicContact CD1-CD1 3.39Å; S526-I530 WeakPolarHBondContact O-CB 3.47Å; S526-I530 VanDerWaalsContact O-CG1 3.27Å; S526-I530 WeakPolarHBondContact O-CG1 3.45Å; S526-I530 PolarHBondContact O-N 3.47Å; L527-I530 PolarHBondContact O-N 2.8Å; I530-K532 VanDerWaalsContact C-N 3.31Å; I530-K532 PolarHBondContact O-N 2.95Å; I530-I533 PolarHBondContact O-N 3.03Å; I530-I534 HydrophobicContact CG2-CD1 3.89Å; I530-I534 WeakPolarHBondContact O-CG1 3.45Å; I530-I534 PolarHBondContact O-N 3.5Å
531M91Very high86.7Confident0 Ų024.9 Ų24.90%012%0.124CC..Hα-helixtrans-58.5-45.4175.9-71.1-172.3-62.600110.6L72 T75 T76 I79 L527 I534 T535 I565 I569L72-M531 HydrophobicContact CD2-CE 3.95Å; T75-M531 HydrophobicContact CG2-SD 4.12Å; T76-M531 HydrophobicContact CG2-SD 4.49Å; T76-M531 PolarHBondContact OG1-SD 2.84Å; T76-M531 VanDerWaalsContact OG1-SD 3.42Å; I79-M531 HydrophobicContact CD1-CB 3.88Å; I79-M531 HydrophobicContact CD1-CG 3.75Å; I79-M531 HydrophobicContact CD1-SD 3.88Å; L527-M531 HydrophobicContact CD1-CG 4.24Å; L527-M531 HydrophobicContact CG-CE 4.18Å; L527-M531 WeakPolarHBondContact O-CG 3.49Å; L527-M531 PolarHBondContact O-N 2.89Å; M531-I534 PolarHBondContact O-N 3.42Å; M531-T535 WeakPolarHBondContact O-CG2 3.5Å; M531-T535 PolarHBondContact O-N 2.82Å; M531-T535 PolarHBondContact O-OG1 3.39Å; M531-I565 HydrophobicContact CB-CD1 4.16Å; M531-I565 HydrophobicContact CE-CD1 4.4Å; M531-I565 HydrophobicContact SD-CD1 4.15Å; M531-I569 HydrophobicContact CE-CG2 3.98Å
532K89.8Confident87.5Confident23 Ų2322.5 Ų22.510%0.112%0.116CC..Hα-helixtrans-61.4-48.8178.5-171.846.8168.6168.10113F501 Q528 I529 I530 I534 T535 D536 D566 I569F501-K532 HydrophobicContact CE2-CG 4.16Å; F501-K532 HydrophobicContact CZ-CG 4.4Å; Q528-K532 WeakPolarHBondContact O-CB 3.3Å; Q528-K532 PolarHBondContact O-N 2.9Å; I529-K532 PolarHBondContact O-N 3.07Å; I530-K532 VanDerWaalsContact C-N 3.31Å; I530-K532 PolarHBondContact O-N 2.95Å; K532-I534 PolarHBondContact O-N 3.08Å; K532-T535 PolarHBondContact O-N 2.96Å; K532-T535 PolarHBondContact O-OG1 2.85Å; K532-D536 WeakPolarHBondContact CD-OD2 3.42Å; K532-D536 WeakPolarHBondContact CE-OD2 2.99Å; K532-D536 VanDerWaalsContact NZ-CG 3.27Å; K532-D536 IonicContact NZ-OD1 2.63Å; K532-D536 PolarHBondContact NZ-OD1 2.77Å; K532-D536 IonicContact NZ-OD2 3.76Å; K532-D536 PolarHBondContact NZ-OD2 2.77Å; K532-D536 WeakPolarHBondContact O-CB 3.44Å; K532-D536 PolarHBondContact O-N 2.91Å; K532-D566 WeakPolarHBondContact CE-OD1 3.49Å; K532-D566 IonicContact NZ-OD1 3.01Å; K532-D566 PolarHBondContact NZ-OD1 3.41Å; K532-D566 IonicContact NZ-OD2 3.43Å; K532-I569 HydrophobicContact CB-CD1 3.93Å; K532-I569 HydrophobicContact CD-CD1 3.66Å; K532-I569 HydrophobicContact CG-CD1 3.96Å
533I88.6Confident87.9Confident22 Ų2222.9 Ų22.911%0.11312%0.118CC..Hα-helixtrans-55.2-41.3177.3-72.3169000110.7L101 I529 I530 Q537L101-I533 HydrophobicContact CD1-CB 4.48Å; L101-I533 HydrophobicContact CD1-CD1 4.48Å; L101-I533 HydrophobicContact CD1-CG2 4.02Å; I529-I533 HydrophobicContact CG2-CD1 3.74Å; I529-I533 HydrophobicContact CG2-CG1 4.36Å; I529-I533 WeakPolarHBondContact O-CG1 3.15Å; I529-I533 PolarHBondContact O-N 3.4Å; I530-I533 PolarHBondContact O-N 3.03Å; I533-Q537 WeakPolarHBondContact O-CG 3.42Å; I533-Q537 PolarHBondContact O-NE2 3.34Å
534I91.7Very high88.2Confident0 Ų021.4 Ų21.40%011%0.107CC..Hα-helixtrans-72.5-48.9179-71.1171.1000111.7I79 L83 F93 L101 L105 I530 M531 K532 D536 Q537 F540I79-I534 HydrophobicContact CG2-CG2 4.05Å; L83-I534 HydrophobicContact CD1-CD1 4.07Å; L83-I534 HydrophobicContact CD1-CG2 4.23Å; L83-I534 HydrophobicContact CD2-CG2 3.79Å; L83-I534 HydrophobicContact CG-CG2 4.37Å; F93-I534 HydrophobicContact CZ-CG2 4.4Å; L101-I534 HydrophobicContact CB-CD1 3.95Å; L101-I534 HydrophobicContact CB-CG1 4.32Å; L105-I534 HydrophobicContact CD1-CD1 3.59Å; L105-I534 HydrophobicContact CG-CD1 4.22Å; I530-I534 HydrophobicContact CG2-CD1 3.89Å; I530-I534 WeakPolarHBondContact O-CG1 3.45Å; I530-I534 PolarHBondContact O-N 3.5Å; M531-I534 PolarHBondContact O-N 3.42Å; K532-I534 PolarHBondContact O-N 3.08Å; I534-D536 PolarHBondContact O-N 2.93Å; I534-Q537 WeakPolarHBondContact O-CB 3.3Å; I534-Q537 WeakPolarHBondContact O-CG 3.37Å; I534-Q537 PolarHBondContact O-N 2.84Å; I534-F540 HydrophobicContact CG2-CD2 3.72Å; I534-F540 HydrophobicContact CG2-CE2 4.03Å; I534-F540 HydrophobicContact CG2-CG 4.25Å; I534-F540 WeakPolarHBondContact O-CB 3.38Å
535T91.1Very high88.2Confident1 Ų123.3 Ų23.31%0.00612%0.117CC..Hα-helixtrans-69.6-17.6-176.455.20000113.7I79 M531 K532 F540 R541 I565I79-T535 HydrophobicContact CD1-CG2 3.85Å; I79-T535 HydrophobicContact CG1-CG2 4.22Å; M531-T535 WeakPolarHBondContact O-CG2 3.5Å; M531-T535 PolarHBondContact O-N 2.82Å; M531-T535 PolarHBondContact O-OG1 3.39Å; K532-T535 PolarHBondContact O-N 2.96Å; K532-T535 PolarHBondContact O-OG1 2.85Å; T535-F540 HydrophobicContact CG2-CD1 4.32Å; T535-F540 HydrophobicContact CG2-CE1 3.83Å; T535-F540 HydrophobicContact CG2-CZ 4.2Å; T535-R541 WeakPolarHBondContact O-CG 3.22Å; T535-R541 PolarHBondContact O-NE 3.15Å; T535-I565 HydrophobicContact CG2-CG1 4.18Å; T535-I565 HydrophobicContact CG2-CG2 4.45Å
536D88.8Confident88.1Confident62 Ų6228.3 Ų28.333%0.33214%0.137SC..THydrogen-bonded Turntrans-85.7-10.2175.2-77.20.4000114.2K532 I534 R541K532-D536 WeakPolarHBondContact CD-OD2 3.42Å; K532-D536 WeakPolarHBondContact CE-OD2 2.99Å; K532-D536 VanDerWaalsContact NZ-CG 3.27Å; K532-D536 IonicContact NZ-OD1 2.63Å; K532-D536 PolarHBondContact NZ-OD1 2.77Å; K532-D536 IonicContact NZ-OD2 3.76Å; K532-D536 PolarHBondContact NZ-OD2 2.77Å; K532-D536 WeakPolarHBondContact O-CB 3.44Å; K532-D536 PolarHBondContact O-N 2.91Å; I534-D536 PolarHBondContact O-N 2.93Å; D536-R541 IonicContact OD1-CZ 2.7Å; D536-R541 IonicContact OD1-NH2 2.77Å; D536-R541 PolarHBondContact OD1-NH2 3.39Å
537Q90.7Very high87.9Confident32 Ų3228.1 Ų28.115%0.1514%0.135CC..SBendtrans-67.9140.2173.3-56.6-54.7-40.400111.4F93 A98 I533 I534 E539 F540 R541F93-Q537 HydrophobicContact CD1-CB 3.55Å; F93-Q537 HydrophobicContact CD1-CG 3.58Å; F93-Q537 HydrophobicContact CE1-CB 3.42Å; F93-Q537 VanDerWaalsContact CE1-CB 3.42Å; F93-Q537 HydrophobicContact CE1-CG 3.67Å; F93-Q537 HydrophobicContact CG-CG 4.45Å; A98-Q537 HydrophobicContact CB-CG 3.75Å; I533-Q537 WeakPolarHBondContact O-CG 3.42Å; I533-Q537 PolarHBondContact O-NE2 3.34Å; I534-Q537 WeakPolarHBondContact O-CB 3.3Å; I534-Q537 WeakPolarHBondContact O-CG 3.37Å; I534-Q537 PolarHBondContact O-N 2.84Å; Q537-E539 VanDerWaalsContact C-N 3.3Å; Q537-E539 PolarHBondContact O-N 3.04Å; Q537-F540 HydrophobicContact CB-CB 4.34Å; Q537-F540 PolarHBondContact O-N 3.03Å; Q537-R541 VanDerWaalsContact O-CG 3.27Å; Q537-R541 WeakPolarHBondContact O-CG 3.45Å; Q537-R541 PolarHBondContact O-N 3.36Å; Q537-R541 VanDerWaalsContact O-N 3.17Å
538I88.6Confident87.4Confident70 Ų7029.7 Ų29.736%0.35914%0.141SC..Hα-helixtrans-69.7-32-178.7-172.359.6000111.5R541 N542I538-R541 PolarHBondContact O-N 3.47Å; I538-N542 WeakPolarHBondContact CD1-OD1 3.2Å; I538-N542 VanDerWaalsContact O-CB 3.3Å; I538-N542 WeakPolarHBondContact O-CB 3.38Å; I538-N542 PolarHBondContact O-N 2.66Å; I538-N542 PolarHBondContact O-OD1 2.66Å
539E91.8Very high86.5Confident31 Ų3133.2 Ų33.215%0.14517%0.166CC..Hα-helixtrans-65.2-43.1178.4-54.391.8142.800111.2M86 F93 S94 Q537 I543M86-E539 HydrophobicContact CE-CB 3.82Å; F93-E539 HydrophobicContact CD1-CB 3.92Å; F93-E539 HydrophobicContact CD1-CG 4.4Å; F93-E539 HydrophobicContact CE1-CB 4.03Å; S94-E539 VanDerWaalsContact CB-OE1 3.26Å; S94-E539 WeakPolarHBondContact CB-OE1 3.31Å; S94-E539 PolarHBondContact N-OE1 3.46Å; S94-E539 PolarHBondContact OG-OE1 3.2Å; Q537-E539 VanDerWaalsContact C-N 3.3Å; Q537-E539 PolarHBondContact O-N 3.04Å; E539-I543 PolarHBondContact O-N 3.21Å; E539-I543 VanDerWaalsContact O-N 3.11Å
540F92.9Very high85.7Confident2 Ų235.5 Ų35.51%0.00918%0.177CC..Hα-helixtrans-64.4-45.8174-176.9-87.4000110.9I79 V82 L83 M86 F93 I534 T535 Q537 I543 F544 I562I79-F540 HydrophobicContact CG1-CZ 4.22Å; I79-F540 HydrophobicContact CG2-CE2 4.02Å; I79-F540 HydrophobicContact CG2-CZ 4.28Å; V82-F540 HydrophobicContact CB-CD2 4.49Å; V82-F540 HydrophobicContact CB-CE2 3.66Å; V82-F540 HydrophobicContact CB-CZ 3.96Å; V82-F540 HydrophobicContact CG1-CD2 3.88Å; V82-F540 HydrophobicContact CG1-CE2 3.48Å; V82-F540 VanDerWaalsContact CG1-CE2 3.48Å; V82-F540 HydrophobicContact CG1-CZ 3.86Å; V82-F540 HydrophobicContact CG2-CE2 4.47Å; V82-F540 HydrophobicContact CG2-CZ 4.28Å; L83-F540 HydrophobicContact CD2-CD2 4.02Å; L83-F540 HydrophobicContact CD2-CE2 4.32Å; L83-F540 HydrophobicContact CG-CD2 4.47Å; L83-F540 HydrophobicContact CG-CE2 4.28Å; M86-F540 HydrophobicContact SD-CB 4.27Å; M86-F540 HydrophobicContact SD-CD2 4.04Å; F93-F540 HydrophobicContact CE1-CB 3.84Å; F93-F540 HydrophobicContact CZ-CB 4.02Å; F93-F540 HydrophobicContact CZ-CD2 4.47Å; I534-F540 HydrophobicContact CG2-CD2 3.72Å; I534-F540 HydrophobicContact CG2-CE2 4.03Å; I534-F540 HydrophobicContact CG2-CG 4.25Å; I534-F540 WeakPolarHBondContact O-CB 3.38Å; T535-F540 HydrophobicContact CG2-CD1 4.32Å; T535-F540 HydrophobicContact CG2-CE1 3.83Å; T535-F540 HydrophobicContact CG2-CZ 4.2Å; Q537-F540 HydrophobicContact CB-CB 4.34Å; Q537-F540 PolarHBondContact O-N 3.03Å; F540-I543 PolarHBondContact O-N 2.96Å; F540-F544 HydrophobicContact CE1-CB 4.35Å; F540-F544 VanDerWaalsContact O-CB 3.29Å; F540-F544 WeakPolarHBondContact O-CB 3.43Å; F540-F544 PolarHBondContact O-N 3.35Å; F540-I562 HydrophobicContact CE1-CG2 4.26Å
541R90.4Very high84.6Confident43 Ų4336.2 Ų36.216%0.16218%0.181CC..Hα-helixtrans-64.1-45.1-178.8-68.5170.6172.8-121.5-3.3111.9W446 T535 D536 Q537 I538 I543 F544 I545W446-R541 VanDerWaalsContact CH2-CZ 3.47Å; W446-R541 HydrophobicContact CZ2-CG 4.45Å; T535-R541 WeakPolarHBondContact O-CG 3.22Å; T535-R541 PolarHBondContact O-NE 3.15Å; D536-R541 IonicContact OD1-CZ 2.7Å; D536-R541 IonicContact OD1-NH2 2.77Å; D536-R541 PolarHBondContact OD1-NH2 3.39Å; Q537-R541 VanDerWaalsContact O-CG 3.27Å; Q537-R541 WeakPolarHBondContact O-CG 3.45Å; Q537-R541 PolarHBondContact O-N 3.36Å; Q537-R541 VanDerWaalsContact O-N 3.17Å; I538-R541 PolarHBondContact O-N 3.47Å; R541-I543 PolarHBondContact O-N 3.01Å; R541-F544 PolarHBondContact O-N 3.37Å; R541-I545 VanDerWaalsContact O-CG1 3.27Å; R541-I545 WeakPolarHBondContact O-CG1 3.24Å; R541-I545 PolarHBondContact O-N 3.15Å
542N87.7Confident83.3Confident63 Ų6339.9 Ų39.934%0.33720%0.198SC..Hα-helixtrans-60.9-43.5176.6-71.8-2.6000111.4I538 I545 K546I538-N542 WeakPolarHBondContact CD1-OD1 3.2Å; I538-N542 VanDerWaalsContact O-CB 3.3Å; I538-N542 WeakPolarHBondContact O-CB 3.38Å; I538-N542 PolarHBondContact O-N 2.66Å; I538-N542 PolarHBondContact O-OD1 2.66Å; N542-I545 PolarHBondContact O-N 3.5Å; N542-K546 PolarHBondContact O-N 3.18Å
543I87.1Confident81.7Confident12 Ų1245.1 Ų45.16%0.06222%0.223CC..Hα-helixtrans-73.1-36178.5-73.5-70.8000112.3V82 Y85 M86 I91 E539 F540 R541 I545 K546 L547V82-I543 HydrophobicContact CG1-CG2 4.23Å; Y85-I543 HydrophobicContact CD1-CG2 3.76Å; Y85-I543 HydrophobicContact CE1-CD1 4.26Å; Y85-I543 HydrophobicContact CE1-CG2 4.13Å; M86-I543 HydrophobicContact CG-CB 4Å; M86-I543 HydrophobicContact CG-CG1 4.22Å; M86-I543 HydrophobicContact CG-CG2 3.64Å; I91-I543 HydrophobicContact CD1-CD1 3.31Å; I91-I543 HydrophobicContact CD1-CG1 3.72Å; E539-I543 PolarHBondContact O-N 3.21Å; E539-I543 VanDerWaalsContact O-N 3.11Å; F540-I543 PolarHBondContact O-N 2.96Å; R541-I543 PolarHBondContact O-N 3.01Å; I543-I545 VanDerWaalsContact C-N 3.3Å; I543-I545 PolarHBondContact O-N 2.88Å; I543-K546 HydrophobicContact CD1-CD 4.43Å; I543-K546 PolarHBondContact O-N 2.92Å; I543-L547 HydrophobicContact CG2-CD1 3.7Å; I543-L547 HydrophobicContact CG2-CG 4.06Å; I543-L547 WeakPolarHBondContact O-CB 3.26Å; I543-L547 VanDerWaalsContact O-CG 3.28Å; I543-L547 WeakPolarHBondContact O-CG 3.44Å; I543-L547 PolarHBondContact O-N 2.87Å
544F87.5Confident80.5Confident4 Ų449.4 Ų49.42%0.01824%0.241CC..Hα-helixtrans-62-36.1171.7-179.4-109.3000112.4V82 F540 R541 Y548 L551 L559 I562V82-F544 HydrophobicContact CG2-CD2 4.23Å; F540-F544 HydrophobicContact CE1-CB 4.35Å; F540-F544 VanDerWaalsContact O-CB 3.29Å; F540-F544 WeakPolarHBondContact O-CB 3.43Å; F540-F544 PolarHBondContact O-N 3.35Å; R541-F544 PolarHBondContact O-N 3.37Å; F544-Y548 WeakPolarHBondContact O-CA 3.37Å; F544-Y548 PolarHBondContact O-N 2.93Å; F544-Y548 VanDerWaalsContact O-N 3.1Å; F544-L551 HydrophobicContact CD2-CD1 3.88Å; F544-L551 HydrophobicContact CE2-CD1 4.11Å; F544-L559 HydrophobicContact CE2-CD1 3.84Å; F544-L559 HydrophobicContact CZ-CD1 3.73Å; F544-I562 HydrophobicContact CD1-CG2 4.28Å; F544-I562 HydrophobicContact CD2-CD1 4Å; F544-I562 HydrophobicContact CD2-CG2 3.89Å; F544-I562 HydrophobicContact CE1-CG2 3.92Å; F544-I562 HydrophobicContact CE2-CB 3.75Å; F544-I562 HydrophobicContact CE2-CD1 3.61Å; F544-I562 HydrophobicContact CE2-CG1 4.3Å; F544-I562 HydrophobicContact CE2-CG2 3.5Å; F544-I562 HydrophobicContact CG-CG2 4.26Å; F544-I562 HydrophobicContact CZ-CB 3.83Å; F544-I562 HydrophobicContact CZ-CG2 3.51Å
545I84.5Confident79.5Confident44 Ų4449.9 Ų49.923%0.22624%0.244CC..Hα-helixtrans-69-49.1172.6-66.7166000110.8W446 L449 R541 N542 I543 L547 Y548W446-I545 HydrophobicContact CB-CD1 4.21Å; L449-I545 HydrophobicContact CD1-CG1 3.84Å; R541-I545 VanDerWaalsContact O-CG1 3.27Å; R541-I545 WeakPolarHBondContact O-CG1 3.24Å; R541-I545 PolarHBondContact O-N 3.15Å; N542-I545 PolarHBondContact O-N 3.5Å; I543-I545 VanDerWaalsContact C-N 3.3Å; I543-I545 PolarHBondContact O-N 2.88Å; I545-L547 VanDerWaalsContact C-N 3.26Å; I545-L547 PolarHBondContact O-N 3.47Å; I545-Y548 WeakPolarHBondContact O-CB 3.21Å; I545-Y548 PolarHBondContact O-N 3.46Å
546K79.8Confident78.8Confident153 Ų15351.9 Ų51.967%0.66525%0.252SS*.Hα-helixtrans-61.1-35178.2-175.3174.8-179.3176.70112.5N542 I543 Y548N542-K546 PolarHBondContact O-N 3.18Å; I543-K546 HydrophobicContact CD1-CD 4.43Å; I543-K546 PolarHBondContact O-N 2.92Å; K546-Y548 VanDerWaalsContact C-N 3.33Å
547L77.6Confident78.5Confident5 Ų549.5 Ų49.53%0.02624%0.24CC..THydrogen-bonded Turntrans-81.3-6.2175.3-76.4178.7000114V82 Y85 I543 I545 S549 I550 L551V82-L547 HydrophobicContact CG1-CD1 4.32Å; Y85-L547 HydrophobicContact CD1-CD1 3.57Å; Y85-L547 HydrophobicContact CD1-CD2 3.74Å; Y85-L547 HydrophobicContact CD1-CG 3.83Å; Y85-L547 HydrophobicContact CD2-CD2 3.92Å; Y85-L547 HydrophobicContact CE1-CD1 4.18Å; Y85-L547 HydrophobicContact CE1-CD2 3.63Å; Y85-L547 HydrophobicContact CE1-CG 3.9Å; Y85-L547 HydrophobicContact CE2-CD2 3.83Å; Y85-L547 HydrophobicContact CG-CD1 3.83Å; Y85-L547 HydrophobicContact CG-CD2 3.86Å; Y85-L547 HydrophobicContact CG-CG 4.29Å; I543-L547 HydrophobicContact CG2-CD1 3.7Å; I543-L547 HydrophobicContact CG2-CG 4.06Å; I543-L547 WeakPolarHBondContact O-CB 3.26Å; I543-L547 VanDerWaalsContact O-CG 3.28Å; I543-L547 WeakPolarHBondContact O-CG 3.44Å; I543-L547 PolarHBondContact O-N 2.87Å; I545-L547 VanDerWaalsContact C-N 3.26Å; I545-L547 PolarHBondContact O-N 3.47Å; L547-S549 PolarHBondContact O-N 2.85Å; L547-I550 HydrophobicContact CD2-CB 4.43Å; L547-I550 HydrophobicContact CD2-CD1 4.32Å; L547-I550 HydrophobicContact CD2-CG2 4.46Å; L547-I550 CarbonylContact O-C 3.51Å; L547-I550 WeakPolarHBondContact O-CA 3.46Å; L547-I550 WeakPolarHBondContact O-CB 3.49Å; L547-I550 PolarHBondContact O-N 2.93Å; L547-L551 HydrophobicContact CB-CD1 3.54Å; L547-L551 HydrophobicContact CB-CG 3.9Å; L547-L551 HydrophobicContact CD1-CD1 4.01Å; L547-L551 HydrophobicContact CD1-CG 4.47Å; L547-L551 HydrophobicContact CG-CD1 4.44Å; L547-L551 PolarHBondContact O-N 3.47Å
548Y75.4Confident78.2Confident35 Ų3548.3 Ų48.314%0.13724%0.236CC..Hα-helixtrans-52.2-53.8-163.7-176.2-85.3000112.6L449 F544 I545 K546 I550 L551 E552 L559 K563L449-Y548 HydrophobicContact CD1-CD2 4.42Å; L449-Y548 HydrophobicContact CD2-CD2 4.07Å; L449-Y548 HydrophobicContact CD2-CE1 4.48Å; L449-Y548 HydrophobicContact CD2-CE2 3.82Å; F544-Y548 WeakPolarHBondContact O-CA 3.37Å; F544-Y548 PolarHBondContact O-N 2.93Å; F544-Y548 VanDerWaalsContact O-N 3.1Å; I545-Y548 WeakPolarHBondContact O-CB 3.21Å; I545-Y548 PolarHBondContact O-N 3.46Å; K546-Y548 VanDerWaalsContact C-N 3.33Å; Y548-I550 PolarHBondContact O-N 2.86Å; Y548-L551 PolarHBondContact O-N 2.92Å; Y548-E552 VanDerWaalsContact CE1-OE2 3.22Å; Y548-E552 WeakPolarHBondContact CE1-OE2 3.28Å; Y548-E552 PolarHBondContact O-N 2.89Å; Y548-L559 HydrophobicContact CD2-CD1 3.85Å; Y548-L559 HydrophobicContact CE1-CD2 4.44Å; Y548-L559 HydrophobicContact CE2-CD1 3.77Å; Y548-L559 HydrophobicContact CE2-CD2 4.07Å; Y548-L559 HydrophobicContact CE2-CG 4.21Å; Y548-L559 HydrophobicContact CG-CD1 4.49Å; Y548-K563 VanDerWaalsContact CE2-CE 3.46Å; Y548-K563 WeakPolarHBondContact OH-CE 3.34Å; Y548-K563 PolarHBondContact OH-NZ 3.06Å
549S68.8Low78.1Confident76 Ų7645.3 Ų45.353%0.53122%0.221SC..Hα-helixtrans-61.6-43.3177.6-38.40000112.1L547 L551 E552 E553L547-S549 PolarHBondContact O-N 2.85Å; S549-L551 VanDerWaalsContact C-N 3.27Å; S549-L551 PolarHBondContact O-N 3.29Å; S549-E552 PolarHBondContact O-N 3.23Å; S549-E553 WeakPolarHBondContact O-CG 3.46Å; S549-E553 PolarHBondContact O-N 3.43Å
550I67.5Low77.9Confident67 Ų6744.8 Ų44.834%0.34422%0.218SC..Hα-helixtrans-65.7-29.8179.8-58.2172.6000111.4L547 Y548 K554L547-I550 HydrophobicContact CD2-CB 4.43Å; L547-I550 HydrophobicContact CD2-CD1 4.32Å; L547-I550 HydrophobicContact CD2-CG2 4.46Å; L547-I550 CarbonylContact O-C 3.51Å; L547-I550 WeakPolarHBondContact O-CA 3.46Å; L547-I550 WeakPolarHBondContact O-CB 3.49Å; L547-I550 PolarHBondContact O-N 2.93Å; Y548-I550 PolarHBondContact O-N 2.86Å; I550-K554 HydrophobicContact CG2-CD 3.94Å; I550-K554 VanDerWaalsContact O-CB 3.24Å; I550-K554 WeakPolarHBondContact O-CB 3.47Å; I550-K554 WeakPolarHBondContact O-CD 3.22Å; I550-K554 WeakPolarHBondContact O-CG 3.5Å; I550-K554 PolarHBondContact O-N 3.47Å
551L64.5Low77.8Confident15 Ų1544.7 Ų44.78%0.07922%0.217CC..Hα-helixtrans-85-31.2176.5-73.4168.8000112.5V82 F544 L547 Y548 S549 E553 K554 S555 L559V82-L551 HydrophobicContact CG2-CD1 3.89Å; F544-L551 HydrophobicContact CD2-CD1 3.88Å; F544-L551 HydrophobicContact CE2-CD1 4.11Å; L547-L551 HydrophobicContact CB-CD1 3.54Å; L547-L551 HydrophobicContact CB-CG 3.9Å; L547-L551 HydrophobicContact CD1-CD1 4.01Å; L547-L551 HydrophobicContact CD1-CG 4.47Å; L547-L551 HydrophobicContact CG-CD1 4.44Å; L547-L551 PolarHBondContact O-N 3.47Å; Y548-L551 PolarHBondContact O-N 2.92Å; S549-L551 VanDerWaalsContact C-N 3.27Å; S549-L551 PolarHBondContact O-N 3.29Å; L551-E553 VanDerWaalsContact C-N 3.31Å; L551-K554 PolarHBondContact O-N 2.83Å; L551-S555 CarbonylContact O-C 3.49Å; L551-S555 VanDerWaalsContact O-C 3.29Å; L551-S555 PolarHBondContact O-N 2.97Å; L551-L559 HydrophobicContact CB-CD1 4.08Å
552E63.6Low77.8Confident77 Ų7742.9 Ų42.936%0.3621%0.211SC..Hα-helixtrans-62-41.5169.6-164.2149.5-136.300110.5Y548 S549 L559Y548-E552 VanDerWaalsContact CE1-OE2 3.22Å; Y548-E552 WeakPolarHBondContact CE1-OE2 3.28Å; Y548-E552 PolarHBondContact O-N 2.89Å; S549-E552 PolarHBondContact O-N 3.23Å; E552-L559 HydrophobicContact CB-CD2 3.82Å; E552-L559 HydrophobicContact CG-CD2 3.92Å
553E58.1Low77.9Confident133 Ų13342.1 Ų42.162%0.62121%0.205SC*.Hα-helixtrans-73.2-24.8173.8-70173.3-175.500115.3S549 L551S549-E553 WeakPolarHBondContact O-CG 3.46Å; S549-E553 PolarHBondContact O-N 3.43Å; L551-E553 VanDerWaalsContact C-N 3.31Å
554K62.2Low78.1Confident112 Ų11242.4 Ų42.449%0.48721%0.208SC..Hα-helixtrans-98.9-33.9-176.7-76.9177.2-176.2176.60114.7I550 L551I550-K554 HydrophobicContact CG2-CD 3.94Å; I550-K554 VanDerWaalsContact O-CB 3.24Å; I550-K554 WeakPolarHBondContact O-CB 3.47Å; I550-K554 WeakPolarHBondContact O-CD 3.22Å; I550-K554 WeakPolarHBondContact O-CG 3.5Å; I550-K554 PolarHBondContact O-N 3.47Å; L551-K554 PolarHBondContact O-N 2.83Å
555S70.7Confident78.3Confident11 Ų1142.3 Ų42.38%0.07721%0.207CC..  trans-16678.8-175.8-165.90000111.6L551 S557 G558 L559 K584L551-S555 CarbonylContact O-C 3.49Å; L551-S555 VanDerWaalsContact O-C 3.29Å; L551-S555 PolarHBondContact O-N 2.97Å; S555-S557 PolarHBondContact O-N 3.37Å; S555-G558 WeakPolarHBondContact O-CA 3.3Å; S555-G558 PolarHBondContact O-N 2.88Å; S555-G558 PolarHBondContact OG-N 2.67Å; S555-L559 PolarHBondContact O-N 2.84Å; S555-K584 PolarHBondContact OG-NZ 3.34Å
556Y76.4Confident78.4Confident42 Ų4241 Ų4117%0.16520%0.201CC..Hα-helixtrans-43.6-40.9169.6173.4-103.1000113.3G558 L559 Y560 I582 L682Y556-G558 PolarHBondContact O-N 2.96Å; Y556-L559 PolarHBondContact O-N 3.08Å; Y556-Y560 WeakPolarHBondContact O-CB 3.45Å; Y556-Y560 PolarHBondContact O-N 2.79Å; Y556-I582 HydrophobicContact CE1-CD1 3.57Å; Y556-I582 HydrophobicContact CE1-CG1 4.08Å; Y556-L682 WeakPolarHBondContact OH-CD1 2.88Å
557S81.9Confident79Confident13 Ų1336.4 Ų36.49%0.09118%0.179CC..Hα-helixtrans-61.2-41.4176.4-174.20000113.2S555 F561 I582S555-S557 PolarHBondContact O-N 3.37Å; S557-F561 WeakPolarHBondContact O-CD2 3.29Å; S557-F561 PolarHBondContact O-N 2.69Å; S557-F561 WeakPolarHBondContact OG-CE2 3.14Å; S557-I582 WeakPolarHBondContact OG-CG2 3.5Å; S557-I582 PolarHBondContact OG-O 3.4Å
558G85.1Confident79.7Confident6 Ų636.1 Ų36.16%0.06218%0.178CC..Hα-helixtrans-70.8-41.5176.600000112.6A78 S555 Y556 Y560 F561 I562A78-G558 VanDerWaalsContact CB-CA 3.46Å; S555-G558 WeakPolarHBondContact O-CA 3.3Å; S555-G558 PolarHBondContact O-N 2.88Å; S555-G558 PolarHBondContact OG-N 2.67Å; Y556-G558 PolarHBondContact O-N 2.96Å; G558-Y560 VanDerWaalsContact C-N 3.33Å; G558-Y560 PolarHBondContact O-N 3.41Å; G558-F561 PolarHBondContact O-N 3.29Å; G558-I562 WeakPolarHBondContact O-CG1 3.44Å; G558-I562 PolarHBondContact O-N 2.96Å
559L86Confident80.3Confident7 Ų734.5 Ų34.54%0.03717%0.171CC..Hα-helixtrans-57.6-45.8174.9-168.177.6000111.4F544 Y548 L551 E552 S555 Y556 K563F544-L559 HydrophobicContact CE2-CD1 3.84Å; F544-L559 HydrophobicContact CZ-CD1 3.73Å; Y548-L559 HydrophobicContact CD2-CD1 3.85Å; Y548-L559 HydrophobicContact CE1-CD2 4.44Å; Y548-L559 HydrophobicContact CE2-CD1 3.77Å; Y548-L559 HydrophobicContact CE2-CD2 4.07Å; Y548-L559 HydrophobicContact CE2-CG 4.21Å; Y548-L559 HydrophobicContact CG-CD1 4.49Å; L551-L559 HydrophobicContact CB-CD1 4.08Å; E552-L559 HydrophobicContact CB-CD2 3.82Å; E552-L559 HydrophobicContact CG-CD2 3.92Å; S555-L559 PolarHBondContact O-N 2.84Å; Y556-L559 PolarHBondContact O-N 3.08Å; L559-K563 WeakPolarHBondContact O-CG 3.35Å; L559-K563 PolarHBondContact O-N 2.91Å
560Y87.6Confident81.2Confident20 Ų2034.2 Ų34.28%0.07816%0.162CC..Hα-helixtrans-59.5-48.9176.1175.7-96.6000112.6Y556 G558 K563 C564 R567 Q578 D579 I582Y556-Y560 WeakPolarHBondContact O-CB 3.45Å; Y556-Y560 PolarHBondContact O-N 2.79Å; G558-Y560 VanDerWaalsContact C-N 3.33Å; G558-Y560 PolarHBondContact O-N 3.41Å; Y560-K563 PolarHBondContact O-N 3.29Å; Y560-C564 WeakPolarHBondContact O-CB 3.41Å; Y560-C564 PolarHBondContact O-N 3.14Å; Y560-C564 PolarHBondContact O-SG 3.04Å; Y560-R567 PolarHBondContact OH-NH2 3.22Å; Y560-Q578 HydrophobicContact CE1-CG 4.43Å; Y560-Q578 HydrophobicContact CE2-CG 3.71Å; Y560-Q578 WeakPolarHBondContact OH-CG 3.33Å; Y560-D579 WeakPolarHBondContact CE1-OD1 3.45Å; Y560-I582 HydrophobicContact CD1-CB 4.17Å; Y560-I582 HydrophobicContact CD1-CD1 3.72Å; Y560-I582 HydrophobicContact CD1-CG2 3.74Å; Y560-I582 HydrophobicContact CD2-CD1 3.58Å; Y560-I582 HydrophobicContact CE1-CB 4.5Å; Y560-I582 HydrophobicContact CE1-CD1 4.08Å; Y560-I582 HydrophobicContact CE2-CD1 3.95Å; Y560-I582 HydrophobicContact CG-CD1 3.46Å; Y560-I582 VanDerWaalsContact CG-CD1 3.46Å; Y560-I582 HydrophobicContact CG-CG2 4.12Å
561F91.7Very high82Confident0 Ų033.9 Ų33.90%016%0.16CC..Hα-helixtrans-68.7-34-178.1-70.2-47.7000113.2I71 N74 T75 S557 G558 C564 I565 I568 D579 I582 M583I71-F561 HydrophobicContact CG1-CE1 4.46Å; I71-F561 HydrophobicContact CG1-CZ 4.43Å; I71-F561 HydrophobicContact CG2-CD1 4.07Å; I71-F561 HydrophobicContact CG2-CE1 3.71Å; I71-F561 HydrophobicContact CG2-CZ 4.3Å; N74-F561 HydrophobicContact CB-CD2 3.91Å; N74-F561 HydrophobicContact CB-CE2 3.8Å; T75-F561 HydrophobicContact CG2-CB 4.19Å; S557-F561 WeakPolarHBondContact O-CD2 3.29Å; S557-F561 PolarHBondContact O-N 2.69Å; S557-F561 WeakPolarHBondContact OG-CE2 3.14Å; G558-F561 PolarHBondContact O-N 3.29Å; F561-C564 CarbonylContact O-C 3.53Å; F561-C564 PolarHBondContact O-N 2.9Å; F561-I565 PolarHBondContact O-N 3.05Å; F561-I565 VanDerWaalsContact O-N 3.15Å; F561-I568 HydrophobicContact CB-CD1 4.36Å; F561-I568 HydrophobicContact CD1-CD1 3.69Å; F561-I568 HydrophobicContact CG-CD1 4.47Å; F561-D579 HydrophobicContact CE1-CB 4.38Å; F561-I582 HydrophobicContact CE2-CG2 3.98Å; F561-I582 HydrophobicContact CZ-CB 4.39Å; F561-I582 HydrophobicContact CZ-CG2 3.9Å; F561-M583 HydrophobicContact CE2-CB 4.46Å; F561-M583 HydrophobicContact CZ-CB 3.94Å
562I91.2Very high83.1Confident6 Ų639.4 Ų39.43%0.03119%0.19CC..Hα-helixtrans-67.7-42.5173-63.5163.7000110.7A78 I79 V82 F540 F544 G558 C564 I565A78-I562 HydrophobicContact CB-CD1 3.9Å; A78-I562 HydrophobicContact CB-CG1 3.94Å; I79-I562 HydrophobicContact CG1-CG1 4.17Å; V82-I562 HydrophobicContact CG2-CD1 3.85Å; F540-I562 HydrophobicContact CE1-CG2 4.26Å; F544-I562 HydrophobicContact CD1-CG2 4.28Å; F544-I562 HydrophobicContact CD2-CD1 4Å; F544-I562 HydrophobicContact CD2-CG2 3.89Å; F544-I562 HydrophobicContact CE1-CG2 3.92Å; F544-I562 HydrophobicContact CE2-CB 3.75Å; F544-I562 HydrophobicContact CE2-CD1 3.61Å; F544-I562 HydrophobicContact CE2-CG1 4.3Å; F544-I562 HydrophobicContact CE2-CG2 3.5Å; F544-I562 HydrophobicContact CG-CG2 4.26Å; F544-I562 HydrophobicContact CZ-CB 3.83Å; F544-I562 HydrophobicContact CZ-CG2 3.51Å; G558-I562 WeakPolarHBondContact O-CG1 3.44Å; G558-I562 PolarHBondContact O-N 2.96Å; I562-C564 VanDerWaalsContact C-N 3.27Å; I562-C564 PolarHBondContact O-N 3.34Å; I562-I565 WeakPolarHBondContact O-CB 3.31Å; I562-I565 WeakPolarHBondContact O-CG2 3.25Å; I562-I565 PolarHBondContact O-N 2.72Å
563K88.3Confident84.4Confident47 Ų4736.2 Ų36.220%0.20418%0.175CC..Hα-helixtrans-59.7-38.1173.3-75.7-166.9-176.8-161.10112.7L449 Y548 L559 Y560 I565L449-K563 VanDerWaalsContact O-CE 3.31Å; L449-K563 WeakPolarHBondContact O-CE 3.4Å; L449-K563 PolarHBondContact O-NZ 3Å; Y548-K563 VanDerWaalsContact CE2-CE 3.46Å; Y548-K563 WeakPolarHBondContact OH-CE 3.34Å; Y548-K563 PolarHBondContact OH-NZ 3.06Å; L559-K563 WeakPolarHBondContact O-CG 3.35Å; L559-K563 PolarHBondContact O-N 2.91Å; Y560-K563 PolarHBondContact O-N 3.29Å; K563-I565 VanDerWaalsContact C-N 3.3Å; K563-I565 PolarHBondContact O-N 2.78Å
564C91.1Very high85.9Confident18 Ų1834 Ų3412%0.12217%0.166CC..THydrogen-bonded Turntrans-87.18.8-178.4-610000113.7Y560 F561 I562 D566 R567 I568Y560-C564 WeakPolarHBondContact O-CB 3.41Å; Y560-C564 PolarHBondContact O-N 3.14Å; Y560-C564 PolarHBondContact O-SG 3.04Å; F561-C564 CarbonylContact O-C 3.53Å; F561-C564 PolarHBondContact O-N 2.9Å; I562-C564 VanDerWaalsContact C-N 3.27Å; I562-C564 PolarHBondContact O-N 3.34Å; C564-D566 VanDerWaalsContact C-N 3.33Å; C564-D566 PolarHBondContact O-N 2.75Å; C564-R567 WeakPolarHBondContact O-CB 2.99Å; C564-R567 PolarHBondContact O-N 3.2Å; C564-I568 HydrophobicContact CB-CD1 3.67Å; C564-I568 HydrophobicContact CB-CG1 4.25Å; C564-I568 WeakPolarHBondContact O-CG1 3.2Å; C564-I568 PolarHBondContact O-N 2.68Å
565I91.4Very high87.5Confident1 Ų128.7 Ų28.71%0.00514%0.144CC..Hα-helixtrans-54.1-47.1-170.9-171.764.4000112.5T75 I79 M531 T535 F561 I562 K563 R567 I568 I569T75-I565 HydrophobicContact CG2-CD1 3.43Å; T75-I565 VanDerWaalsContact CG2-CD1 3.43Å; I79-I565 HydrophobicContact CD1-CD1 3.92Å; M531-I565 HydrophobicContact CB-CD1 4.16Å; M531-I565 HydrophobicContact CE-CD1 4.4Å; M531-I565 HydrophobicContact SD-CD1 4.15Å; T535-I565 HydrophobicContact CG2-CG1 4.18Å; T535-I565 HydrophobicContact CG2-CG2 4.45Å; F561-I565 PolarHBondContact O-N 3.05Å; F561-I565 VanDerWaalsContact O-N 3.15Å; I562-I565 WeakPolarHBondContact O-CB 3.31Å; I562-I565 WeakPolarHBondContact O-CG2 3.25Å; I562-I565 PolarHBondContact O-N 2.72Å; K563-I565 VanDerWaalsContact C-N 3.3Å; K563-I565 PolarHBondContact O-N 2.78Å; I565-R567 PolarHBondContact O-N 2.81Å; I565-R567 VanDerWaalsContact O-N 3.15Å; I565-I568 PolarHBondContact O-N 2.96Å; I565-I569 HydrophobicContact CD1-CG2 3.56Å; I565-I569 HydrophobicContact CG1-CG2 3.87Å; I565-I569 WeakPolarHBondContact O-CG1 3.35Å; I565-I569 WeakPolarHBondContact O-CG2 3.43Å; I565-I569 PolarHBondContact O-N 3.13Å
566D88.4Confident88.5Confident17 Ų1729.6 Ų29.69%0.09115%0.148CC..Hα-helixtrans-63.7-21.5-178.2-77.4-37.3000113.4K532 C564 Q570K532-D566 WeakPolarHBondContact CE-OD1 3.49Å; K532-D566 IonicContact NZ-OD1 3.01Å; K532-D566 PolarHBondContact NZ-OD1 3.41Å; K532-D566 IonicContact NZ-OD2 3.43Å; C564-D566 VanDerWaalsContact C-N 3.33Å; C564-D566 PolarHBondContact O-N 2.75Å; D566-Q570 WeakPolarHBondContact O-CG 3.3Å; D566-Q570 PolarHBondContact O-NE2 2.85Å
567R92.1Very high89.1Confident56 Ų5630.7 Ų30.721%0.21116%0.157CC..Hα-helixtrans-82.8-42.8169.8-174-17771-168-5.1111.4D456 Y560 C564 I565 Y573 T576 D579D456-R567 IonicContact OD2-CZ 2.68Å; D456-R567 IonicContact OD2-NH1 3.83Å; D456-R567 PolarHBondContact OD2-NH1 2.87Å; Y560-R567 PolarHBondContact OH-NH2 3.22Å; C564-R567 WeakPolarHBondContact O-CB 2.99Å; C564-R567 PolarHBondContact O-N 3.2Å; I565-R567 PolarHBondContact O-N 2.81Å; I565-R567 VanDerWaalsContact O-N 3.15Å; R567-Y573 HydrophobicContact CG-CD2 4.24Å; R567-Y573 HydrophobicContact CG-CE2 4.47Å; R567-Y573 WeakPolarHBondContact O-CB 3.42Å; R567-Y573 WeakPolarHBondContact O-CD2 3.39Å; R567-T576 PolarHBondContact NH2-OG1 3.06Å; R567-D579 IonicContact CZ-OD1 2.74Å; R567-D579 IonicContact CZ-OD2 3.71Å; R567-D579 IonicContact NH2-OD1 3.23Å; R567-D579 PolarHBondContact NH2-OD1 3.21Å; R567-D579 IonicContact NH2-OD2 3.41Å; R567-D579 PolarHBondContact NH2-OD2 3.38Å; R567-D579 VanDerWaalsContact NH2-OD2 3.09Å
568I91.2Very high89.4Confident0 Ų031.6 Ų31.60%016%0.16CC..Hα-helixtrans-71.3-31.1-172.5-68.1164.7000112.3I71 L72 T75 F561 C564 I565 Q570 Y573I71-I568 HydrophobicContact CG2-CD1 4.39Å; I71-I568 HydrophobicContact CG2-CG2 4.32Å; L72-I568 HydrophobicContact CD2-CG2 3.73Å; L72-I568 HydrophobicContact CG-CG2 4.47Å; T75-I568 HydrophobicContact CG2-CG2 4.38Å; F561-I568 HydrophobicContact CB-CD1 4.36Å; F561-I568 HydrophobicContact CD1-CD1 3.69Å; F561-I568 HydrophobicContact CG-CD1 4.47Å; C564-I568 HydrophobicContact CB-CD1 3.67Å; C564-I568 HydrophobicContact CB-CG1 4.25Å; C564-I568 WeakPolarHBondContact O-CG1 3.2Å; C564-I568 PolarHBondContact O-N 2.68Å; I565-I568 PolarHBondContact O-N 2.96Å; I568-Q570 VanDerWaalsContact C-N 3.33Å; I568-Q570 PolarHBondContact O-N 3.28Å; I568-Y573 HydrophobicContact CB-CD1 4.4Å; I568-Y573 HydrophobicContact CB-CE1 4.21Å; I568-Y573 HydrophobicContact CG1-CE1 4.12Å; I568-Y573 HydrophobicContact CG1-CE2 4.22Å; I568-Y573 HydrophobicContact CG2-CD1 4.24Å; I568-Y573 HydrophobicContact CG2-CE1 3.95Å; I568-Y573 WeakPolarHBondContact O-CD1 3.45Å
569I89.3Confident89.7Confident0 Ų031.3 Ų31.30%016%0.157CC..THydrogen-bonded Turntrans-79.4-5.7-179.565.7-173.9000114.9F501 Q528 M531 K532 I565F501-I569 HydrophobicContact CZ-CD1 4.1Å; F501-I569 HydrophobicContact CZ-CG1 4.33Å; Q528-I569 HydrophobicContact CB-CB 4.2Å; Q528-I569 HydrophobicContact CG-CB 4.38Å; Q528-I569 PolarHBondContact NE2-O 3.2Å; M531-I569 HydrophobicContact CE-CG2 3.98Å; K532-I569 HydrophobicContact CB-CD1 3.93Å; K532-I569 HydrophobicContact CD-CD1 3.66Å; K532-I569 HydrophobicContact CG-CD1 3.96Å; I565-I569 HydrophobicContact CD1-CG2 3.56Å; I565-I569 HydrophobicContact CG1-CG2 3.87Å; I565-I569 WeakPolarHBondContact O-CG1 3.35Å; I565-I569 WeakPolarHBondContact O-CG2 3.43Å; I565-I569 PolarHBondContact O-N 3.13Å
570Q87.8Confident89.9Confident71 Ų7131 Ų3133%0.33216%0.155SC..SBendtrans-72.3146.6-179-55.9-56.4-34.900111.9Q528 D566 I568 D572 Y573Q528-Q570 PolarHBondContact NE2-O 3.26Å; D566-Q570 WeakPolarHBondContact O-CG 3.3Å; D566-Q570 PolarHBondContact O-NE2 2.85Å; I568-Q570 VanDerWaalsContact C-N 3.33Å; I568-Q570 PolarHBondContact O-N 3.28Å; Q570-D572 VanDerWaalsContact C-N 3.29Å; Q570-D572 VanDerWaalsContact CB-OD1 3.3Å; Q570-D572 WeakPolarHBondContact CB-OD1 3.49Å; Q570-D572 PolarHBondContact O-N 2.85Å; Q570-Y573 WeakPolarHBondContact O-CB 3.5Å; Q570-Y573 PolarHBondContact O-N 3.08Å; Q570-Y573 VanDerWaalsContact O-N 3.15Å
571D83.9Confident89.8Confident59 Ų5931.1 Ų31.132%0.31616%0.157SC..THydrogen-bonded Turntrans-59.4-42.3176.4-81.3-33.4000111.1K68 Y126 N525 Y573K68-D571 PolarHBondContact NZ-O 2.87Å; Y126-D571 PolarHBondContact OH-O 3.09Å; N525-D571 PolarHBondContact ND2-OD1 2.83Å; N525-D571 VanDerWaalsContact ND2-OD1 3.14Å; D571-Y573 VanDerWaalsContact C-N 3.27Å; D571-Y573 PolarHBondContact O-N 2.83Å
572D87.2Confident89.5Confident132 Ų13231.9 Ų31.971%0.70616%0.161SC*.THydrogen-bonded Turntrans-81.13.9178.571.9-25.2000114.5Q570 I574Q570-D572 VanDerWaalsContact C-N 3.29Å; Q570-D572 VanDerWaalsContact CB-OD1 3.3Å; Q570-D572 WeakPolarHBondContact CB-OD1 3.49Å; Q570-D572 PolarHBondContact O-N 2.85Å; D572-I574 PolarHBondContact O-N 2.91Å; D572-I574 VanDerWaalsContact O-N 3.12Å
573Y90.7Very high89.3Confident9 Ų931.8 Ų31.84%0.03516%0.16CC..  trans-55.3118.7178.2172.3-125.5000111.9K68 I71 R567 I568 Q570 D571 P575 D579K68-Y573 HydrophobicContact CD-CD1 4.27Å; K68-Y573 WeakPolarHBondContact CD-O 3.38Å; K68-Y573 WeakPolarHBondContact CE-O 3.42Å; K68-Y573 HydrophobicContact CG-CD1 4.11Å; K68-Y573 HydrophobicContact CG-CE1 4.33Å; K68-Y573 PolarHBondContact NZ-O 2.83Å; I71-Y573 HydrophobicContact CG2-CE1 4.25Å; R567-Y573 HydrophobicContact CG-CD2 4.24Å; R567-Y573 HydrophobicContact CG-CE2 4.47Å; R567-Y573 WeakPolarHBondContact O-CB 3.42Å; R567-Y573 WeakPolarHBondContact O-CD2 3.39Å; I568-Y573 HydrophobicContact CB-CD1 4.4Å; I568-Y573 HydrophobicContact CB-CE1 4.21Å; I568-Y573 HydrophobicContact CG1-CE1 4.12Å; I568-Y573 HydrophobicContact CG1-CE2 4.22Å; I568-Y573 HydrophobicContact CG2-CD1 4.24Å; I568-Y573 HydrophobicContact CG2-CE1 3.95Å; I568-Y573 WeakPolarHBondContact O-CD1 3.45Å; Q570-Y573 WeakPolarHBondContact O-CB 3.5Å; Q570-Y573 PolarHBondContact O-N 3.08Å; Q570-Y573 VanDerWaalsContact O-N 3.15Å; D571-Y573 VanDerWaalsContact C-N 3.27Å; D571-Y573 PolarHBondContact O-N 2.83Å; Y573-P575 HydrophobicContact CE1-CG 3.98Å; Y573-P575 WeakPolarHBondContact OH-CA 3.28Å; Y573-D579 PolarHBondContact OH-OD1 3.04Å; Y573-D579 PolarHBondContact OH-OD2 2.76Å
574I90.4Very high89.1Confident87 Ų8733.7 Ų33.745%0.44617%0.169SC..  trans-112.5126.8168.6-62.3171.8000107.2I61 R64 D572 T576I61-I574 HydrophobicContact CG2-CD1 4.46Å; I61-I574 HydrophobicContact CG2-CG2 4.27Å; R64-I574 HydrophobicContact CB-CG2 4.33Å; D572-I574 PolarHBondContact O-N 2.91Å; D572-I574 VanDerWaalsContact O-N 3.12Å; I574-T576 PolarHBondContact O-N 2.81Å
575P94.4Very high88.6Confident1 Ų135.2 Ų35.21%0.00617%0.174CC..  trans-55.6132.4178.3-33.340.4000115.1R64 K68 I71 Y573 D579 L580R64-P575 HydrophobicContact CB-CB 4.27Å; R64-P575 WeakPolarHBondContact CD-O 3.19Å; R64-P575 VanDerWaalsContact O-CG 3.31Å; R64-P575 WeakPolarHBondContact O-CG 3.12Å; K68-P575 HydrophobicContact CB-CG 4.16Å; I71-P575 HydrophobicContact CD1-CB 3.49Å; I71-P575 VanDerWaalsContact CD1-CB 3.49Å; I71-P575 HydrophobicContact CD1-CG 3.5Å; Y573-P575 HydrophobicContact CE1-CG 3.98Å; Y573-P575 WeakPolarHBondContact OH-CA 3.28Å; P575-D579 HydrophobicContact CB-CB 4.22Å; P575-L580 HydrophobicContact CB-CD2 4.26Å; P575-L580 HydrophobicContact CB-CG 4.34Å
576T91.9Very high87.7Confident29 Ų2937.7 Ų37.718%0.17819%0.191CC..  trans-74.9165171.5640000110.9R567 I574 Q578 D579 L580R567-T576 PolarHBondContact NH2-OG1 3.06Å; I574-T576 PolarHBondContact O-N 2.81Å; T576-Q578 PolarHBondContact O-N 2.85Å; T576-D579 WeakPolarHBondContact CB-OD2 3.34Å; T576-D579 PolarHBondContact N-OD2 3.3Å; T576-D579 PolarHBondContact O-N 3.1Å; T576-D579 PolarHBondContact OG1-N 3.45Å; T576-D579 VanDerWaalsContact OG1-N 3.12Å; T576-D579 PolarHBondContact OG1-OD2 2.85Å; T576-L580 WeakPolarHBondContact O-CG 3.49Å; T576-L580 PolarHBondContact O-N 3.16Å; T576-L580 VanDerWaalsContact O-N 3.14Å
577L89.8Confident86.9Confident65 Ų6537 Ų3734%0.3419%0.188SC..Hα-helixtrans-58.3-35.6172-67.3174000111.5L53 F59 L580 L581L53-L577 HydrophobicContact CD1-CD1 4.04Å; L53-L577 HydrophobicContact CD1-CD2 3.79Å; L53-L577 HydrophobicContact CD1-CG 4.46Å; F59-L577 HydrophobicContact CB-CD2 4.27Å; F59-L577 HydrophobicContact CD2-CD2 3.88Å; L577-L580 PolarHBondContact O-N 3.22Å; L577-L581 WeakPolarHBondContact O-CG 3.45Å; L577-L581 PolarHBondContact O-N 3.04Å
578Q87.4Confident86Confident32 Ų3241 Ų4115%0.1521%0.207CC..Hα-helixtrans-66.4-43.9177.7-173.266.4-400112.4Y560 T576 L580 L581 I582 L682Y560-Q578 HydrophobicContact CE1-CG 4.43Å; Y560-Q578 HydrophobicContact CE2-CG 3.71Å; Y560-Q578 WeakPolarHBondContact OH-CG 3.33Å; T576-Q578 PolarHBondContact O-N 2.85Å; Q578-L580 VanDerWaalsContact C-N 3.26Å; Q578-L580 PolarHBondContact O-N 3.42Å; Q578-L581 PolarHBondContact O-N 3.45Å; Q578-I582 HydrophobicContact CG-CD1 4.07Å; Q578-I582 VanDerWaalsContact NE2-CD1 3.28Å; Q578-I582 WeakPolarHBondContact O-CB 3.24Å; Q578-I582 PolarHBondContact O-N 3.42Å; Q578-L682 VanDerWaalsContact NE2-CB 3.25Å
579D91.8Very high85.2Confident0 Ų043.9 Ų43.90%023%0.231CC..Hα-helixtrans-57.8-41.8173.1-61-56.6000111.1I71 Y560 F561 R567 Y573 P575 T576 M583I71-D579 HydrophobicContact CD1-CB 3.78Å; I71-D579 HydrophobicContact CG1-CB 4.37Å; Y560-D579 WeakPolarHBondContact CE1-OD1 3.45Å; F561-D579 HydrophobicContact CE1-CB 4.38Å; R567-D579 IonicContact CZ-OD1 2.74Å; R567-D579 IonicContact CZ-OD2 3.71Å; R567-D579 IonicContact NH2-OD1 3.23Å; R567-D579 PolarHBondContact NH2-OD1 3.21Å; R567-D579 IonicContact NH2-OD2 3.41Å; R567-D579 PolarHBondContact NH2-OD2 3.38Å; R567-D579 VanDerWaalsContact NH2-OD2 3.09Å; Y573-D579 PolarHBondContact OH-OD1 3.04Å; Y573-D579 PolarHBondContact OH-OD2 2.76Å; P575-D579 HydrophobicContact CB-CB 4.22Å; T576-D579 WeakPolarHBondContact CB-OD2 3.34Å; T576-D579 PolarHBondContact N-OD2 3.3Å; T576-D579 PolarHBondContact O-N 3.1Å; T576-D579 PolarHBondContact OG1-N 3.45Å; T576-D579 VanDerWaalsContact OG1-N 3.12Å; T576-D579 PolarHBondContact OG1-OD2 2.85Å; D579-M583 VanDerWaalsContact O-CB 3.32Å; D579-M583 WeakPolarHBondContact O-CB 3.06Å; D579-M583 WeakPolarHBondContact O-CG 3.47Å; D579-M583 PolarHBondContact O-N 3.05Å
580L90.2Very high84.9Confident0 Ų045.4 Ų45.40%024%0.24CC..Hα-helixtrans-68.7-37179.8-66.5174.8000112.7K49 F59 R64 M67 I71 P575 T576 L577 Q578 M583K49-L580 WeakPolarHBondContact CD-O 3.18Å; K49-L580 WeakPolarHBondContact CE-O 3.24Å; K49-L580 PolarHBondContact NZ-O 3.16Å; F59-L580 HydrophobicContact CB-CD1 3.61Å; F59-L580 HydrophobicContact CD1-CD1 4.18Å; F59-L580 HydrophobicContact CD2-CD1 4.03Å; F59-L580 HydrophobicContact CG-CD1 3.67Å; R64-L580 HydrophobicContact CB-CD1 4.38Å; R64-L580 HydrophobicContact CG-CD1 3.78Å; M67-L580 HydrophobicContact CB-CD2 3.59Å; M67-L580 HydrophobicContact CG-CD2 3.85Å; I71-L580 HydrophobicContact CD1-CD2 4.33Å; P575-L580 HydrophobicContact CB-CD2 4.26Å; P575-L580 HydrophobicContact CB-CG 4.34Å; T576-L580 WeakPolarHBondContact O-CG 3.49Å; T576-L580 PolarHBondContact O-N 3.16Å; T576-L580 VanDerWaalsContact O-N 3.14Å; L577-L580 PolarHBondContact O-N 3.22Å; Q578-L580 VanDerWaalsContact C-N 3.26Å; Q578-L580 PolarHBondContact O-N 3.42Å; L580-M583 HydrophobicContact CB-CE 4.3Å; L580-M583 HydrophobicContact CD2-CE 3.6Å; L580-M583 HydrophobicContact CD2-SD 4.01Å; L580-M583 VanDerWaalsContact O-CG 3.25Å; L580-M583 WeakPolarHBondContact O-CG 3.41Å
581L85.7Confident84.7Confident24 Ų2447.5 Ų47.513%0.12625%0.245CC..Hα-helixtrans-65.9-51.5172.9-71.6172.7000110.8K49 Q50 L53 L577 Q578 M583K49-L581 HydrophobicContact CB-CD2 3.92Å; K49-L581 PolarHBondContact NZ-O 3.43Å; Q50-L581 HydrophobicContact CG-CD2 3.82Å; L53-L581 HydrophobicContact CD2-CD1 4.24Å; L577-L581 WeakPolarHBondContact O-CG 3.45Å; L577-L581 PolarHBondContact O-N 3.04Å; Q578-L581 PolarHBondContact O-N 3.45Å; L581-M583 PolarHBondContact O-N 3.44Å
582I85.9Confident84.9Confident15 Ų1549.2 Ų49.28%0.07725%0.251CS..Hα-helixtrans-72.4-26.5-173.8-71.5-177.2000114Y556 S557 Y560 F561 Q578 K584Y556-I582 HydrophobicContact CE1-CD1 3.57Å; Y556-I582 HydrophobicContact CE1-CG1 4.08Å; S557-I582 WeakPolarHBondContact OG-CG2 3.5Å; S557-I582 PolarHBondContact OG-O 3.4Å; Y560-I582 HydrophobicContact CD1-CB 4.17Å; Y560-I582 HydrophobicContact CD1-CD1 3.72Å; Y560-I582 HydrophobicContact CD1-CG2 3.74Å; Y560-I582 HydrophobicContact CD2-CD1 3.58Å; Y560-I582 HydrophobicContact CE1-CB 4.5Å; Y560-I582 HydrophobicContact CE1-CD1 4.08Å; Y560-I582 HydrophobicContact CE2-CD1 3.95Å; Y560-I582 HydrophobicContact CG-CD1 3.46Å; Y560-I582 VanDerWaalsContact CG-CD1 3.46Å; Y560-I582 HydrophobicContact CG-CG2 4.12Å; F561-I582 HydrophobicContact CE2-CG2 3.98Å; F561-I582 HydrophobicContact CZ-CB 4.39Å; F561-I582 HydrophobicContact CZ-CG2 3.9Å; Q578-I582 HydrophobicContact CG-CD1 4.07Å; Q578-I582 VanDerWaalsContact NE2-CD1 3.28Å; Q578-I582 WeakPolarHBondContact O-CB 3.24Å; Q578-I582 PolarHBondContact O-N 3.42Å; I582-K584 PolarHBondContact O-N 2.97Å
583M87.6Confident84.8Confident5 Ų545 Ų453%0.02523%0.231CC..  trans-59.7122.8-177.160.5170.8-174.200112.7K49 M67 I71 F561 D579 L580 L581K49-M583 PolarHBondContact NZ-O 3.09Å; M67-M583 HydrophobicContact CB-CE 4.11Å; M67-M583 HydrophobicContact CB-SD 3.95Å; M67-M583 HydrophobicContact CG-CE 3.79Å; M67-M583 HydrophobicContact CG-SD 4.26Å; M67-M583 HydrophobicContact SD-CE 3.84Å; M67-M583 HydrophobicContact SD-SD 4.33Å; I71-M583 HydrophobicContact CD1-SD 4.15Å; I71-M583 HydrophobicContact CG1-CB 3.87Å; I71-M583 HydrophobicContact CG1-CG 4.35Å; I71-M583 HydrophobicContact CG1-SD 3.94Å; F561-M583 HydrophobicContact CE2-CB 4.46Å; F561-M583 HydrophobicContact CZ-CB 3.94Å; D579-M583 VanDerWaalsContact O-CB 3.32Å; D579-M583 WeakPolarHBondContact O-CB 3.06Å; D579-M583 WeakPolarHBondContact O-CG 3.47Å; D579-M583 PolarHBondContact O-N 3.05Å; L580-M583 HydrophobicContact CB-CE 4.3Å; L580-M583 HydrophobicContact CD2-CE 3.6Å; L580-M583 HydrophobicContact CD2-SD 4.01Å; L580-M583 VanDerWaalsContact O-CG 3.25Å; L580-M583 WeakPolarHBondContact O-CG 3.41Å; L581-M583 PolarHBondContact O-N 3.44Å
584K83.5Confident84.7Confident86 Ų8649.4 Ų49.437%0.37426%0.255SS..  trans-66.1137165-70.5175.2173.6174.30108.5N74 S555 I582N74-K584 PolarHBondContact ND2-N 2.99Å; N74-K584 VanDerWaalsContact ND2-N 3.19Å; N74-K584 PolarHBondContact ND2-O 3.12Å; N74-K584 PolarHBondContact OD1-O 2.82Å; S555-K584 PolarHBondContact OG-NZ 3.34Å; I582-K584 PolarHBondContact O-N 2.97Å
585Q80.9Confident84.4Confident50 Ų5045.7 Ų45.723%0.23424%0.236CC..  trans-153.4118.7171.4-174.9-171.689.800107.6N45 T70 S587N45-Q585 PolarHBondContact ND2-O 3.21Å; T70-Q585 HydrophobicContact CG2-CB 4.21Å; T70-Q585 HydrophobicContact CG2-CG 4.31Å; Q585-S587 PolarHBondContact O-N 2.83Å
586S71.7Confident83.8Confident53 Ų5349.4 Ų49.437%0.37126%0.262SS..  trans-66.1127.8174.6-780000112.1K588 E609S586-K588 PolarHBondContact O-N 3.16Å; S586-E609 WeakPolarHBondContact CB-OE1 3.32Å; S586-E609 PolarHBondContact OG-OE1 2.82Å
587S70.9Confident83.3Confident2 Ų249.3 Ų49.31%0.01426%0.26CS..  trans-9479.2169.9-66.20000109.3N45 Q585 A589 R591 G608 E609N45-S587 PolarHBondContact ND2-OG 3.47Å; N45-S587 PolarHBondContact OD1-OG 2.94Å; N45-S587 VanDerWaalsContact OD1-OG 3.08Å; Q585-S587 PolarHBondContact O-N 2.83Å; S587-A589 PolarHBondContact O-N 3.32Å; S587-R591 PolarHBondContact OG-NH1 3.45Å; S587-G608 CarbonylContact O-C 3.51Å; S587-G608 VanDerWaalsContact O-CA 3.3Å; S587-G608 WeakPolarHBondContact O-CA 3.3Å; S587-E609 PolarHBondContact O-N 3.46Å
588K73.1Confident82.8Confident140 Ų14050.3 Ų50.361%0.60929%0.286SS*.  trans-60.2-26.8-179.5-79-174.1174.9-166.90114.1S586 E609 Q610S586-K588 PolarHBondContact O-N 3.16Å; K588-E609 WeakPolarHBondContact CG-OE2 3.32Å; K588-Q610 PolarHBondContact O-NE2 2.9Å
589A76Confident82.3Confident62 Ų6253.7 Ų53.751%0.51231%0.314SS..SBendtrans-117.5156.5178.800000110.6S587S587-A589 PolarHBondContact O-N 3.32Å
590V82.5Confident81.8Confident31 Ų3155.2 Ų55.219%0.18832%0.321CS..  trans-58.4138.6169.5-174.10000109.3I605 N606 L607 Y620V590-I605 HydrophobicContact CG1-CG2 3.9Å; V590-N606 WeakPolarHBondContact CA-O 3.38Å; V590-L607 HydrophobicContact CG1-CD2 4.1Å; V590-L607 HydrophobicContact CG2-CD2 3.99Å; V590-Y620 HydrophobicContact CB-CE2 4.42Å; V590-Y620 HydrophobicContact CG1-CE1 4.36Å; V590-Y620 HydrophobicContact CG1-CE2 4.01Å; V590-Y620 HydrophobicContact CG2-CE2 4.17Å
591R83.5Confident81.6Confident115 Ų11556 Ų5643%0.43433%0.327SS..EExtended strand (participates in β ladder)trans-128.1127.5177.2-69.7177173.9175.3-5109.7S587 N606S587-R591 PolarHBondContact OG-NH1 3.45Å; R591-N606 PolarHBondContact N-O 3.44Å; R591-N606 PolarHBondContact O-N 3.46Å
592E87.7Confident81.7Confident96 Ų9655.2 Ų55.245%0.44932%0.322SS..EExtended strand (participates in β ladder)trans-94.5142.9166.4-63.8-175.1-140.900109.9R603 T604 I605E592-R603 WeakPolarHBondContact OE2-CD 3.43Å; E592-R603 IonicContact OE2-CZ 2.74Å; E592-R603 IonicContact OE2-NE 3.34Å; E592-R603 IonicContact OE2-NH1 2.78Å; E592-R603 PolarHBondContact OE2-NH1 2.85Å; E592-T604 WeakPolarHBondContact CA-O 3.34Å; E592-I605 HydrophobicContact CG-CG1 4.1Å
593S85.1Confident81.8Confident42 Ų4257.1 Ų57.129%0.29433%0.328SS..EExtended strand (participates in β ladder)trans-138136164.342.30000110.6R603 T604S593-R603 WeakPolarHBondContact O-CA 3.49Å; S593-T604 PolarHBondContact N-O 3.02Å; S593-T604 PolarHBondContact O-N 3.16Å; S593-T604 PolarHBondContact O-OG1 3.33Å; S593-T604 PolarHBondContact OG-OG1 3.43Å
594L88.2Confident81.9Confident102 Ų10256.9 Ų56.953%0.53433%0.328SS..EExtended strand (participates in β ladder)trans-103.5128.8176.5-73163.6000109.1L602 R603L594-L602 WeakPolarHBondContact CA-O 3.4Å; L594-R603 HydrophobicContact CD2-CB 3.65Å; L594-R603 HydrophobicContact CD2-CG 3.88Å; L594-R603 HydrophobicContact CG-CG 4.48Å
595I84Confident82.1Confident9 Ų952.9 Ų52.95%0.04631%0.31CS..EExtended strand (participates in β ladder)trans-131.7129.1-178.1-63.7179.1000107.5M51 F55 I597 L602M51-I595 HydrophobicContact CB-CD1 3.64Å; F55-I595 HydrophobicContact CB-CG2 3.46Å; F55-I595 VanDerWaalsContact CB-CG2 3.46Å; I595-I597 HydrophobicContact CG2-CD1 4.43Å; I595-I597 HydrophobicContact CG2-CG1 4Å; I595-L602 PolarHBondContact N-O 2.83Å; I595-L602 PolarHBondContact O-N 3.42Å
596S82Confident82.4Confident80 Ų8050.7 Ų50.756%0.55930%0.3SS*.EExtended strand (participates in β ladder)trans-96.9115.9179.7-58.40000109.8I600S596-I600 WeakPolarHBondContact CA-O 3.35Å
597I81.2Confident83Confident26 Ų2648.2 Ų48.213%0.13328%0.282CS..EExtended strand (participates in β ladder)trans-113.699.2179.6-48.2-176.5000107.5M51 F55 L366 I595 S599 I600 L602M51-I597 HydrophobicContact CE-CD1 3.75Å; F55-I597 HydrophobicContact CB-CD1 4.39Å; F55-I597 HydrophobicContact CB-CG1 4Å; F55-I597 HydrophobicContact CD1-CD1 4.34Å; F55-I597 HydrophobicContact CD1-CG1 4.17Å; F55-I597 HydrophobicContact CD1-CG2 3.88Å; F55-I597 HydrophobicContact CD2-CD1 3.93Å; F55-I597 HydrophobicContact CD2-CG1 4.42Å; F55-I597 HydrophobicContact CE1-CG2 3.96Å; F55-I597 HydrophobicContact CE2-CD1 4.25Å; F55-I597 HydrophobicContact CG-CD1 3.97Å; F55-I597 HydrophobicContact CG-CG1 3.96Å; L366-I597 HydrophobicContact CD1-CG2 3.84Å; L366-I597 HydrophobicContact CD2-CD1 3.96Å; L366-I597 HydrophobicContact CD2-CG2 3.83Å; I595-I597 HydrophobicContact CG2-CD1 4.43Å; I595-I597 HydrophobicContact CG2-CG1 4Å; I597-S599 PolarHBondContact O-N 2.88Å; I597-I600 PolarHBondContact N-O 2.97Å; I597-I600 PolarHBondContact O-N 2.88Å; I597-L602 HydrophobicContact CD1-CB 4.45Å; I597-L602 HydrophobicContact CD1-CD2 4.16Å
598G80.1Confident83.4Confident86 Ų8648.3 Ų48.389%0.88728%0.284SS*.THydrogen-bonded Turntrans60.7-107.9-173.300000112
599S77.6Confident83.4Confident103 Ų10343.9 Ų43.972%0.7227%0.265SS*.THydrogen-bonded Turntrans-98.7-7.5179.153.10000114.5I597I597-S599 PolarHBondContact O-N 2.88Å
600I81.6Confident83.1Confident32 Ų3243.6 Ų43.616%0.16425%0.254CS..EExtended strand (participates in β ladder)trans-101.7142.1-175.3-68174.9000110.1I32 V370 S596 I597I32-I600 HydrophobicContact CB-CG2 4.45Å; I32-I600 HydrophobicContact CD1-CD1 4.25Å; I32-I600 HydrophobicContact CD1-CG2 3.82Å; I32-I600 HydrophobicContact CG1-CG2 3.98Å; V370-I600 HydrophobicContact CG2-CD1 3.68Å; S596-I600 WeakPolarHBondContact CA-O 3.35Å; I597-I600 PolarHBondContact N-O 2.97Å; I597-I600 PolarHBondContact O-N 2.88Å
601T84.7Confident82.3Confident18 Ų1842.1 Ų42.111%0.1125%0.245CC..EExtended strand (participates in β ladder)trans-105.2110.4169.939.80000110.7H27 K30 E31 I32H27-T601 PolarHBondContact CE1-OG1 3.43Å; K30-T601 PolarHBondContact O-N 3.48Å; K30-T601 PolarHBondContact O-OG1 2.94Å; E31-T601 CarbonylContact C-O 3.57Å; E31-T601 WeakPolarHBondContact CA-O 3.36Å; I32-T601 PolarHBondContact N-O 3.44Å
602L87.9Confident81.4Confident7 Ų741.7 Ų41.74%0.03725%0.247CC..EExtended strand (participates in β ladder)trans-86.2114.8177.1-163.672.5000109.6I32 L34 M51 L594 I595 I597 T604I32-L602 HydrophobicContact CB-CD1 4.05Å; I32-L602 HydrophobicContact CG2-CD1 4.02Å; I32-L602 WeakPolarHBondContact O-CA 3.36Å; L34-L602 HydrophobicContact CD1-CD1 3.82Å; L34-L602 HydrophobicContact CD1-CD2 4.1Å; L34-L602 HydrophobicContact CD1-CG 4.22Å; L34-L602 HydrophobicContact CD2-CD1 4.41Å; L34-L602 HydrophobicContact CG-CD1 3.8Å; L34-L602 HydrophobicContact CG-CG 4.38Å; M51-L602 HydrophobicContact CE-CD2 3.68Å; L594-L602 WeakPolarHBondContact CA-O 3.4Å; I595-L602 PolarHBondContact N-O 2.83Å; I595-L602 PolarHBondContact O-N 3.42Å; I597-L602 HydrophobicContact CD1-CB 4.45Å; I597-L602 HydrophobicContact CD1-CD2 4.16Å; L602-T604 HydrophobicContact CD2-CG2 4.1Å; L602-T604 HydrophobicContact CG-CG2 4.25Å
603R88.9Confident80.4Confident54 Ų5441.4 Ų41.420%0.20425%0.246CC..EExtended strand (participates in β ladder)trans-97.5108.9169.6-172-171.5-62.1-103.2-3.3109.1E31 I32 Q33 L34 E592 S593 L594 I605E31-R603 VanDerWaalsContact CD-NH2 3.25Å; E31-R603 HydrophobicContact CG-CB 4.28Å; E31-R603 IonicContact OE1-CZ 2.98Å; E31-R603 VanDerWaalsContact OE1-CZ 3.31Å; E31-R603 IonicContact OE1-NE 2.85Å; E31-R603 PolarHBondContact OE1-NE 3.49Å; E31-R603 IonicContact OE1-NH2 3.35Å; E31-R603 PolarHBondContact OE1-NH2 3.25Å; E31-R603 IonicContact OE2-CZ 3.16Å; E31-R603 IonicContact OE2-NE 2.71Å; E31-R603 IonicContact OE2-NH2 2.67Å; E31-R603 PolarHBondContact OE2-NH2 3.32Å; I32-R603 PolarHBondContact O-N 3.39Å; Q33-R603 CarbonylContact C-O 3.52Å; Q33-R603 WeakPolarHBondContact CA-O 3.48Å; Q33-R603 HydrophobicContact CG-CB 4.16Å; L34-R603 PolarHBondContact N-O 3Å; E592-R603 WeakPolarHBondContact OE2-CD 3.43Å; E592-R603 IonicContact OE2-CZ 2.74Å; E592-R603 IonicContact OE2-NE 3.34Å; E592-R603 IonicContact OE2-NH1 2.78Å; E592-R603 PolarHBondContact OE2-NH1 2.85Å; S593-R603 WeakPolarHBondContact O-CA 3.49Å; L594-R603 HydrophobicContact CD2-CB 3.65Å; L594-R603 HydrophobicContact CD2-CG 3.88Å; L594-R603 HydrophobicContact CG-CG 4.48Å; R603-I605 HydrophobicContact CG-CG1 4.44Å
604T88.6Confident79.6Confident1 Ų140 Ų401%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-94.9116.7172.763.30000110.3L34 E592 S593 L602L34-T604 HydrophobicContact CB-CG2 4.44Å; L34-T604 HydrophobicContact CD1-CG2 4.44Å; E592-T604 WeakPolarHBondContact CA-O 3.34Å; S593-T604 PolarHBondContact N-O 3.02Å; S593-T604 PolarHBondContact O-N 3.16Å; S593-T604 PolarHBondContact O-OG1 3.33Å; S593-T604 PolarHBondContact OG-OG1 3.43Å; L602-T604 HydrophobicContact CD2-CG2 4.1Å; L602-T604 HydrophobicContact CG-CG2 4.25Å
605I89.1Confident78.4Confident2 Ų241.3 Ų41.31%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-94.9105173.7-63.7154.5000107.9L34 L35 L36 V590 E592 R603 L607 Y620 V624L34-I605 PolarHBondContact O-N 3.39Å; L35-I605 HydrophobicContact CD1-CB 4.06Å; L35-I605 HydrophobicContact CD1-CG2 3.73Å; L36-I605 PolarHBondContact N-O 2.92Å; V590-I605 HydrophobicContact CG1-CG2 3.9Å; E592-I605 HydrophobicContact CG-CG1 4.1Å; R603-I605 HydrophobicContact CG-CG1 4.44Å; I605-L607 HydrophobicContact CG2-CD2 4.3Å; I605-Y620 HydrophobicContact CD1-CD1 4.08Å; I605-Y620 HydrophobicContact CG1-CD1 4.37Å; I605-Y620 HydrophobicContact CG2-CD1 3.73Å; I605-Y620 HydrophobicContact CG2-CE1 4.19Å; I605-Y620 HydrophobicContact CG2-CG 3.99Å; I605-V624 HydrophobicContact CD1-CG1 3.62Å
606N86.8Confident77.4Confident4 Ų447.4 Ų47.42%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-98.6107.8179.8-178.2-11.8000109.8L36 N45 C48 V590 R591 G608L36-N606 HydrophobicContact CD1-CB 4.14Å; N45-N606 PolarHBondContact OD1-ND2 2.89Å; C48-N606 PolarHBondContact SG-ND2 2.99Å; C48-N606 VanDerWaalsContact SG-ND2 3.42Å; V590-N606 WeakPolarHBondContact CA-O 3.38Å; R591-N606 PolarHBondContact N-O 3.44Å; R591-N606 PolarHBondContact O-N 3.46Å; N606-G608 PolarHBondContact O-N 3.47Å; N606-G608 WeakPolarHBondContact OD1-CA 3.36Å; N606-G608 PolarHBondContact OD1-N 3.32Å
607L84.2Confident76.7Confident0 Ų044.8 Ų44.80%025%0.248CC..  trans-67.6-13.8179.7-61.3-177.7000113.5L35 I37 V590 I605 E609 Q610 L614 Q617 Y620 F621L35-L607 HydrophobicContact CD1-CD1 4.14Å; L35-L607 HydrophobicContact CD1-CD2 3.99Å; L35-L607 HydrophobicContact CD1-CG 3.92Å; I37-L607 HydrophobicContact CG1-CD1 4.33Å; V590-L607 HydrophobicContact CG1-CD2 4.1Å; V590-L607 HydrophobicContact CG2-CD2 3.99Å; I605-L607 HydrophobicContact CG2-CD2 4.3Å; L607-E609 PolarHBondContact O-N 2.76Å; L607-Q610 WeakPolarHBondContact O-CB 3.35Å; L607-Q610 PolarHBondContact O-N 2.79Å; L607-L614 HydrophobicContact CD1-CD2 4.01Å; L607-Q617 HydrophobicContact CD2-CB 4.08Å; L607-Q617 HydrophobicContact CD2-CG 4.13Å; L607-Y620 HydrophobicContact CD2-CD2 4.35Å; L607-F621 HydrophobicContact CD1-CE1 4.37Å
608G78.6Confident75.8Confident4 Ų447.7 Ų47.74%0.04126%0.259CS..THydrogen-bonded Turntrans66.6-118.417600000113.1K44 S587 N606 S611K44-G608 VanDerWaalsContact CE-O 3.25Å; K44-G608 WeakPolarHBondContact CE-O 3.27Å; K44-G608 PolarHBondContact NZ-O 3.09Å; S587-G608 CarbonylContact O-C 3.51Å; S587-G608 VanDerWaalsContact O-CA 3.3Å; S587-G608 WeakPolarHBondContact O-CA 3.3Å; N606-G608 PolarHBondContact O-N 3.47Å; N606-G608 WeakPolarHBondContact OD1-CA 3.36Å; N606-G608 PolarHBondContact OD1-N 3.32Å; G608-S611 PolarHBondContact O-OG 2.96Å
609E73.1Confident75.4Confident48 Ų4851.5 Ų51.522%0.22425%0.254CS..THydrogen-bonded Turntrans-90.4-12.4172.3-65.2174.9161.300112.3P40 S586 S587 K588 L607 S611P40-E609 HydrophobicContact CG-CG 4.44Å; S586-E609 WeakPolarHBondContact CB-OE1 3.32Å; S586-E609 PolarHBondContact OG-OE1 2.82Å; S587-E609 PolarHBondContact O-N 3.46Å; K588-E609 WeakPolarHBondContact CG-OE2 3.32Å; L607-E609 PolarHBondContact O-N 2.76Å; E609-S611 PolarHBondContact O-N 3.03Å
610Q69.2Low75.1Confident56 Ų5649.7 Ų49.726%0.26223%0.232SC..G310 helixtrans-76.6-3.2176.7-55.7-62.2-40.900113.1K588 L607 E612 H613 Q617K588-Q610 PolarHBondContact O-NE2 2.9Å; L607-Q610 WeakPolarHBondContact O-CB 3.35Å; L607-Q610 PolarHBondContact O-N 2.79Å; Q610-E612 PolarHBondContact O-N 3.05Å; Q610-H613 CarbonylContact O-C 3.59Å; Q610-H613 PolarHBondContact O-N 3.29Å; Q610-Q617 HydrophobicContact CB-CG 4.32Å
611S65.5Low74.7Confident0 Ų048.2 Ų48.20%022%0.224CC..G310 helixtrans-62.4-29.3176.447.60000113G38 G608 E609 H613 L614 L655G38-S611 VanDerWaalsContact O-CB 3.31Å; G38-S611 WeakPolarHBondContact O-CB 3.35Å; G38-S611 PolarHBondContact O-OG 2.8Å; G608-S611 PolarHBondContact O-OG 2.96Å; E609-S611 PolarHBondContact O-N 3.03Å; S611-H613 PolarHBondContact O-N 3.32Å; S611-L614 WeakPolarHBondContact O-CD2 3.3Å; S611-L614 WeakPolarHBondContact O-CG 3.32Å; S611-L655 VanDerWaalsContact O-CD1 3.27Å; S611-L655 WeakPolarHBondContact O-CD1 3.41Å
612E65.2Low74.1Confident105 Ų10554.8 Ų54.849%0.49125%0.254SS..G310 helixtrans-70-5.5173.2-62.5179.8-170.200113L39 P40 Q610L39-E612 HydrophobicContact CD2-CG 4.21Å; P40-E612 WeakPolarHBondContact CD-OE1 3.46Å; P40-E612 WeakPolarHBondContact CG-OE1 3.4Å; Q610-E612 PolarHBondContact O-N 3.05Å
613H67.4Low73.4Confident91 Ų9157.4 Ų57.442%0.42127%0.272SS..G310 helixtrans-131.950.5-177-66.8-14.9000111.4Q610 S611 N615 K616Q610-H613 CarbonylContact O-C 3.59Å; Q610-H613 PolarHBondContact O-N 3.29Å; S611-H613 PolarHBondContact O-N 3.32Å; H613-N615 PolarHBondContact O-N 3.46Å; H613-K616 HydrophobicContact CB-CD 4.15Å; H613-K616 PolarHBondContact O-N 3.03Å
614L67.2Low73.2Confident12 Ų1254.9 Ų54.96%0.06326%0.263CS..G310 helixtrans-44.7-38.8178.2-61.8178.9000113I37 L607 S611 K616 Q617 F621 L655 D658 V659 L665I37-L614 HydrophobicContact CD1-CD2 4.36Å; I37-L614 HydrophobicContact CG2-CD2 4.24Å; L607-L614 HydrophobicContact CD1-CD2 4.01Å; S611-L614 WeakPolarHBondContact O-CD2 3.3Å; S611-L614 WeakPolarHBondContact O-CG 3.32Å; L614-K616 PolarHBondContact O-N 3.38Å; L614-Q617 PolarHBondContact O-N 2.84Å; L614-F621 HydrophobicContact CB-CE2 4.19Å; L614-F621 HydrophobicContact CB-CZ 3.87Å; L614-F621 HydrophobicContact CD2-CZ 3.99Å; L614-F621 HydrophobicContact CG-CZ 4.49Å; L614-F621 WeakPolarHBondContact O-CZ 3.33Å; L614-L655 HydrophobicContact CD1-CD1 4.05Å; L614-L655 HydrophobicContact CG-CD1 4.24Å; L614-D658 HydrophobicContact CD1-CB 4.34Å; L614-V659 HydrophobicContact CD1-CG2 3.67Å; L614-L665 HydrophobicContact CD1-CD1 4.39Å
615N63.6Low73Confident129 Ų12958.3 Ų58.369%0.6928%0.281SS*.G310 helixtrans-61.4-7.2178.8-63.4-1.9000115.5H613 F618H613-N615 PolarHBondContact O-N 3.46Å; N615-F618 VanDerWaalsContact CA-CE2 3.41Å; N615-F618 HydrophobicContact CB-CE2 3.94Å; N615-F618 HydrophobicContact CB-CZ 4.17Å; N615-F618 VanDerWaalsContact O-CD2 3.31Å; N615-F618 WeakPolarHBondContact O-CD2 3.49Å; N615-F618 VanDerWaalsContact O-CE2 3.24Å; N615-F618 WeakPolarHBondContact O-CE2 3.48Å
616K63.7Low72.8Confident138 Ų13859.4 Ų59.460%0.629%0.286SS*.G310 helixtrans-102.7-4.2173-64.3176.2-177.3164.50113.1H613 L614H613-K616 HydrophobicContact CB-CD 4.15Å; H613-K616 PolarHBondContact O-N 3.03Å; L614-K616 PolarHBondContact O-N 3.38Å
617Q66.2Low72.9Confident25 Ų2559.2 Ų59.212%0.11729%0.285CS..  trans-1228.7-168.5-53.4-57.2-24.600113.5L607 Q610 L614 H619 Y620 F621L607-Q617 HydrophobicContact CD2-CB 4.08Å; L607-Q617 HydrophobicContact CD2-CG 4.13Å; Q610-Q617 HydrophobicContact CB-CG 4.32Å; L614-Q617 PolarHBondContact O-N 2.84Å; Q617-H619 PolarHBondContact O-N 2.87Å; Q617-Y620 HydrophobicContact CB-CD2 4.31Å; Q617-Y620 PolarHBondContact O-N 3.04Å; Q617-F621 HydrophobicContact CB-CE1 3.98Å; Q617-F621 HydrophobicContact CB-CZ 4.09Å; Q617-F621 WeakPolarHBondContact O-CE1 3.33Å
618F63.5Low73Confident86 Ų8659.5 Ų59.538%0.37729%0.287SS..G310 helixtrans-45.2-35.8-179-71.6-65.9000114.7N615 Y620 F621N615-F618 VanDerWaalsContact CA-CE2 3.41Å; N615-F618 HydrophobicContact CB-CE2 3.94Å; N615-F618 HydrophobicContact CB-CZ 4.17Å; N615-F618 VanDerWaalsContact O-CD2 3.31Å; N615-F618 WeakPolarHBondContact O-CD2 3.49Å; N615-F618 VanDerWaalsContact O-CE2 3.24Å; N615-F618 WeakPolarHBondContact O-CE2 3.48Å; F618-Y620 PolarHBondContact O-N 2.74Å; F618-Y620 VanDerWaalsContact O-N 3.1Å; F618-F621 AromaticContact CD1-CD2 3.7Å; F618-F621 HydrophobicContact CD1-CD2 3.7Å; F618-F621 AromaticContact CD1-CE2 3.76Å; F618-F621 HydrophobicContact CD1-CE2 3.76Å; F618-F621 HydrophobicContact CE1-CD2 4.43Å; F618-F621 HydrophobicContact CE1-CE2 4.24Å; F618-F621 HydrophobicContact CG-CD2 4.47Å; F618-F621 HydrophobicContact CG-CE2 4.42Å; F618-F621 WeakPolarHBondContact O-CB 3.3Å; F618-F621 PolarHBondContact O-N 3.16Å
619H70.8Confident73.5Confident166 Ų16659.3 Ų59.377%0.76929%0.285SS*.G310 helixtrans-59.5-21.2179.4-59.8-52.4000114.8Q617Q617-H619 PolarHBondContact O-N 2.87Å
620Y71.1Confident74.2Confident65 Ų6557.2 Ų57.226%0.25528%0.275SS..G310 helixtrans-87.7-14.2173-62.1-76.9000113.1V590 I605 L607 Q617 F618 V624V590-Y620 HydrophobicContact CB-CE2 4.42Å; V590-Y620 HydrophobicContact CG1-CE1 4.36Å; V590-Y620 HydrophobicContact CG1-CE2 4.01Å; V590-Y620 HydrophobicContact CG2-CE2 4.17Å; I605-Y620 HydrophobicContact CD1-CD1 4.08Å; I605-Y620 HydrophobicContact CG1-CD1 4.37Å; I605-Y620 HydrophobicContact CG2-CD1 3.73Å; I605-Y620 HydrophobicContact CG2-CE1 4.19Å; I605-Y620 HydrophobicContact CG2-CG 3.99Å; L607-Y620 HydrophobicContact CD2-CD2 4.35Å; Q617-Y620 HydrophobicContact CB-CD2 4.31Å; Q617-Y620 PolarHBondContact O-N 3.04Å; F618-Y620 PolarHBondContact O-N 2.74Å; F618-Y620 VanDerWaalsContact O-N 3.1Å; Y620-V624 WeakPolarHBondContact O-CG1 3.16Å
621F74.3Confident74.9Confident1 Ų155.2 Ų55.20%0.00427%0.266CS..THydrogen-bonded Turntrans-81.1-28.5-171.9-57-6.3000111.7L35 L607 L614 Q617 F618 D664 L665 K668L35-F621 HydrophobicContact CD2-CD1 3.59Å; L35-F621 HydrophobicContact CD2-CE1 3.88Å; L607-F621 HydrophobicContact CD1-CE1 4.37Å; L614-F621 HydrophobicContact CB-CE2 4.19Å; L614-F621 HydrophobicContact CB-CZ 3.87Å; L614-F621 HydrophobicContact CD2-CZ 3.99Å; L614-F621 HydrophobicContact CG-CZ 4.49Å; L614-F621 WeakPolarHBondContact O-CZ 3.33Å; Q617-F621 HydrophobicContact CB-CE1 3.98Å; Q617-F621 HydrophobicContact CB-CZ 4.09Å; Q617-F621 WeakPolarHBondContact O-CE1 3.33Å; F618-F621 AromaticContact CD1-CD2 3.7Å; F618-F621 HydrophobicContact CD1-CD2 3.7Å; F618-F621 AromaticContact CD1-CE2 3.76Å; F618-F621 HydrophobicContact CD1-CE2 3.76Å; F618-F621 HydrophobicContact CE1-CD2 4.43Å; F618-F621 HydrophobicContact CE1-CE2 4.24Å; F618-F621 HydrophobicContact CG-CD2 4.47Å; F618-F621 HydrophobicContact CG-CE2 4.42Å; F618-F621 WeakPolarHBondContact O-CB 3.3Å; F618-F621 PolarHBondContact O-N 3.16Å; F621-D664 HydrophobicContact CB-CB 4.4Å; F621-L665 HydrophobicContact CB-CD2 3.76Å; F621-L665 HydrophobicContact CD1-CD2 3.82Å; F621-L665 HydrophobicContact CD2-CD1 4.17Å; F621-L665 HydrophobicContact CD2-CD2 3.81Å; F621-L665 HydrophobicContact CD2-CG 3.91Å; F621-L665 HydrophobicContact CE1-CD2 4.39Å; F621-L665 HydrophobicContact CE2-CD1 4.05Å; F621-L665 HydrophobicContact CE2-CD2 4.38Å; F621-L665 HydrophobicContact CE2-CG 4.31Å; F621-L665 HydrophobicContact CG-CD2 3.52Å; F621-L665 HydrophobicContact CG-CG 4.15Å; F621-L665 HydrophobicContact CZ-CD1 4.38Å; F621-K668 WeakPolarHBondContact O-CE 3.36Å
622E70.9Confident75.6Confident157 Ų15755.9 Ų55.973%0.73427%0.271SS*.THydrogen-bonded Turntrans-65.8-46.4175.2-65-179174.600111.7K668E622-K668 PolarHBondContact O-NZ 3.34Å
623S73.5Confident76.1Confident61 Ų6155 Ų5543%0.42727%0.269SS..THydrogen-bonded Turntrans-82.7-22.4-168.873.60000115.5Q33Q33-S623 VanDerWaalsContact OE1-CB 3.28Å; Q33-S623 PolarHBondContact OE1-O 3.34Å; Q33-S623 PolarHBondContact OE1-OG 2.89Å
624V84.5Confident76.2Confident1 Ų154.1 Ų54.11%0.00627%0.265CS..  trans-69142-174.8-690000112.4Q33 L35 I605 Y620 K668Q33-V624 HydrophobicContact CB-CB 4.46Å; Q33-V624 HydrophobicContact CB-CG1 4.31Å; L35-V624 HydrophobicContact CB-CB 4.15Å; L35-V624 HydrophobicContact CB-CG1 3.77Å; L35-V624 HydrophobicContact CB-CG2 4.15Å; L35-V624 HydrophobicContact CD1-CG1 4.38Å; L35-V624 HydrophobicContact CD2-CG2 4.19Å; L35-V624 HydrophobicContact CG-CG1 4.46Å; I605-V624 HydrophobicContact CD1-CG1 3.62Å; Y620-V624 WeakPolarHBondContact O-CG1 3.16Å; V624-K668 HydrophobicContact CG2-CG 4.41Å; V624-K668 VanDerWaalsContact O-CD 3.3Å; V624-K668 WeakPolarHBondContact O-CD 3.49Å; V624-K668 WeakPolarHBondContact O-CE 3.34Å; V624-K668 PolarHBondContact O-NZ 2.88Å
625N84Confident76.6Confident74 Ų7454.8 Ų54.840%0.39627%0.268SS..SBendtrans-78-44.7172.7-59.873.1000110.2I32 Q33I32-N625 HydrophobicContact CG2-CB 4.4Å; Q33-N625 WeakPolarHBondContact CB-OD1 3.27Å; Q33-N625 PolarHBondContact N-OD1 3.32Å; Q33-N625 PolarHBondContact O-N 2.9Å
626M86.5Confident77.1Confident24 Ų2449.4 Ų49.412%0.11824%0.241CC..EExtended strand (participates in β ladder)trans-144.8153.1-167.4-164-151.792.500111.4Q33 L34 L35 L628 D669 I671Q33-M626 PolarHBondContact O-N 2.91Å; L34-M626 WeakPolarHBondContact CA-O 3.45Å; L34-M626 HydrophobicContact CD2-CB 3.83Å; L34-M626 HydrophobicContact CD2-CE 3.98Å; L34-M626 HydrophobicContact CD2-SD 4.06Å; L35-M626 PolarHBondContact N-O 2.87Å; M626-L628 HydrophobicContact CE-CB 3.93Å; M626-L628 HydrophobicContact CE-CD1 4.33Å; M626-D669 WeakPolarHBondContact CA-O 3.42Å; M626-D669 HydrophobicContact CG-CB 4.01Å; M626-D669 VanDerWaalsContact CG-O 3.25Å; M626-D669 WeakPolarHBondContact CG-O 3.48Å; M626-I671 HydrophobicContact CE-CB 3.85Å; M626-I671 HydrophobicContact CE-CD1 3.81Å; M626-I671 HydrophobicContact CE-CG1 3.81Å; M626-I671 HydrophobicContact CG-CG1 4.49Å; M626-I671 HydrophobicContact SD-CB 4.48Å; M626-I671 HydrophobicContact SD-CD1 3.43Å; M626-I671 WeakPolarHBondContact SD-CD1 3.46Å; M626-I671 HydrophobicContact SD-CG1 3.76Å
627I87.3Confident77.6Confident0 Ų050.7 Ų50.70%024%0.243CC..EExtended strand (participates in β ladder)trans-111.4127.1178.4-59165.5000109L35 I37 L665 K668 D669 I670 I671L35-I627 HydrophobicContact CB-CG1 4.33Å; I37-I627 HydrophobicContact CD1-CG2 3.65Å; I37-I627 HydrophobicContact CG1-CG2 4.01Å; I627-L665 HydrophobicContact CD1-CB 3.61Å; I627-L665 HydrophobicContact CD1-CD2 3.6Å; I627-L665 HydrophobicContact CD1-CG 4.13Å; I627-L665 HydrophobicContact CG1-CD2 4.36Å; I627-K668 HydrophobicContact CD1-CB 3.9Å; I627-K668 HydrophobicContact CD1-CG 4.29Å; I627-K668 HydrophobicContact CG1-CB 4.13Å; I627-D669 PolarHBondContact N-O 2.71Å; I627-I670 HydrophobicContact CB-CG1 4.32Å; I627-I670 HydrophobicContact CD1-CG1 4.14Å; I627-I670 HydrophobicContact CG2-CG2 4.47Å; I627-I670 WeakPolarHBondContact O-CA 3.45Å; I627-I671 PolarHBondContact O-N 3.01Å
628L88.1Confident77.7Confident6 Ų653.1 Ų53.13%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-107.9104.1171.2-170.960.3000108.8L35 L36 I37 F47 M626 F630 I671L35-L628 PolarHBondContact O-N 2.94Å; L36-L628 WeakPolarHBondContact CA-O 3.45Å; L36-L628 HydrophobicContact CD2-CB 3.93Å; L36-L628 HydrophobicContact CD2-CD2 4.2Å; I37-L628 PolarHBondContact N-O 3.25Å; F47-L628 HydrophobicContact CD1-CD2 4.23Å; F47-L628 HydrophobicContact CD2-CD2 4.46Å; F47-L628 HydrophobicContact CE1-CD2 3.77Å; F47-L628 HydrophobicContact CE2-CD2 4.03Å; F47-L628 HydrophobicContact CZ-CD2 3.66Å; M626-L628 HydrophobicContact CE-CB 3.93Å; M626-L628 HydrophobicContact CE-CD1 4.33Å; L628-F630 HydrophobicContact CB-CE2 4.14Å; L628-F630 HydrophobicContact CD2-CE2 3.59Å; L628-F630 HydrophobicContact CD2-CZ 3.54Å; L628-F630 HydrophobicContact CG-CD2 4.24Å; L628-F630 HydrophobicContact CG-CE2 3.51Å; L628-F630 HydrophobicContact CG-CZ 3.85Å; L628-F630 WeakPolarHBondContact O-CD2 3.47Å; L628-I671 WeakPolarHBondContact CA-O 3.43Å; L628-I671 HydrophobicContact CD1-CB 3.86Å; L628-I671 HydrophobicContact CD1-CG2 3.65Å
629F88Confident78.2Confident0 Ų051.6 Ų51.60%024%0.244CC..EExtended strand (participates in β ladder)trans-95.6120.6-175.4-167.7-81.6000111I37 I631 L655 F656 V659 I670 I671 I672 G673I37-F629 HydrophobicContact CB-CD2 3.83Å; I37-F629 HydrophobicContact CB-CE2 4.27Å; I37-F629 HydrophobicContact CG2-CD2 3.77Å; I37-F629 HydrophobicContact CG2-CE2 3.69Å; F629-I631 HydrophobicContact CD1-CD1 4.26Å; F629-I631 HydrophobicContact CD1-CG1 3.89Å; F629-I631 HydrophobicContact CE1-CD1 3.96Å; F629-I631 HydrophobicContact CE1-CG1 3.63Å; F629-L655 HydrophobicContact CE2-CG 3.99Å; F629-L655 HydrophobicContact CZ-CB 4.24Å; F629-L655 HydrophobicContact CZ-CD2 4.39Å; F629-L655 HydrophobicContact CZ-CG 4Å; F629-F656 HydrophobicContact CB-CD2 4.47Å; F629-F656 HydrophobicContact CB-CE2 4.47Å; F629-F656 AromaticContact CD1-CD2 3.6Å; F629-F656 HydrophobicContact CD1-CD2 3.6Å; F629-F656 HydrophobicContact CD1-CE2 4.19Å; F629-F656 HydrophobicContact CD1-CG 4.44Å; F629-F656 AromaticContact CD2-CD2 3.9Å; F629-F656 HydrophobicContact CD2-CD2 3.9Å; F629-F656 HydrophobicContact CE1-CB 3.82Å; F629-F656 AromaticContact CE1-CD2 3.71Å; F629-F656 HydrophobicContact CE1-CD2 3.71Å; F629-F656 HydrophobicContact CE1-CG 4.14Å; F629-F656 HydrophobicContact CE2-CB 4.15Å; F629-F656 AromaticContact CE2-CD2 3.99Å; F629-F656 HydrophobicContact CE2-CD2 3.99Å; F629-F656 AromaticContact CG-CD2 3.72Å; F629-F656 HydrophobicContact CG-CD2 3.72Å; F629-F656 HydrophobicContact CG-CE2 4.18Å; F629-F656 HydrophobicContact CZ-CB 3.58Å; F629-F656 AromaticContact CZ-CD2 3.91Å; F629-F656 HydrophobicContact CZ-CD2 3.91Å; F629-F656 HydrophobicContact CZ-CG 4.23Å; F629-V659 HydrophobicContact CD2-CG2 4.13Å; F629-V659 HydrophobicContact CE2-CG2 3.92Å; F629-I670 HydrophobicContact CB-CG2 4.4Å; F629-I671 PolarHBondContact N-O 3.01Å; F629-I672 CarbonylContact O-C 3.49Å; F629-I672 WeakPolarHBondContact O-CA 3.25Å; F629-G673 PolarHBondContact O-N 3.37Å
630F87.5Confident78.3Confident5 Ų545.5 Ų45.52%0.02222%0.219CC..EExtended strand (participates in β ladder)trans-101.7120.8-171.9-78.7-93.8000113.5L36 I37 S42 K44 F47 L628 G673L36-F630 HydrophobicContact CB-CE2 4.34Å; L36-F630 HydrophobicContact CD2-CE2 4.3Å; I37-F630 PolarHBondContact O-N 3.44Å; S42-F630 WeakPolarHBondContact CB-O 3.4Å; S42-F630 WeakPolarHBondContact O-CB 3.31Å; S42-F630 VanDerWaalsContact OG-CB 3.3Å; S42-F630 WeakPolarHBondContact OG-CB 3.47Å; S42-F630 PolarHBondContact OG-O 3.14Å; K44-F630 HydrophobicContact CB-CD2 4.47Å; K44-F630 HydrophobicContact CG-CB 4Å; K44-F630 HydrophobicContact CG-CD2 3.71Å; K44-F630 HydrophobicContact CG-CE2 4.37Å; K44-F630 HydrophobicContact CG-CG 3.92Å; F47-F630 HydrophobicContact CB-CE1 3.81Å; F47-F630 HydrophobicContact CB-CZ 3.55Å; F47-F630 HydrophobicContact CD1-CE2 4.47Å; F47-F630 AromaticContact CD1-CZ 3.87Å; F47-F630 HydrophobicContact CD1-CZ 3.87Å; F47-F630 HydrophobicContact CD2-CZ 4.12Å; F47-F630 HydrophobicContact CG-CE1 4.22Å; F47-F630 AromaticContact CG-CZ 3.58Å; F47-F630 HydrophobicContact CG-CZ 3.58Å; L628-F630 HydrophobicContact CB-CE2 4.14Å; L628-F630 HydrophobicContact CD2-CE2 3.59Å; L628-F630 HydrophobicContact CD2-CZ 3.54Å; L628-F630 HydrophobicContact CG-CD2 4.24Å; L628-F630 HydrophobicContact CG-CE2 3.51Å; L628-F630 HydrophobicContact CG-CZ 3.85Å; L628-F630 WeakPolarHBondContact O-CD2 3.47Å; F630-G673 WeakPolarHBondContact CA-O 3.46Å
631I83.9Confident78.2Confident14 Ų1449.5 Ų49.57%0.07223%0.234CC..  trans-117.7115.3172.5-65.4-179.5000110.2F629 L633 V636 F653 G673 P675F629-I631 HydrophobicContact CD1-CD1 4.26Å; F629-I631 HydrophobicContact CD1-CG1 3.89Å; F629-I631 HydrophobicContact CE1-CD1 3.96Å; F629-I631 HydrophobicContact CE1-CG1 3.63Å; I631-L633 HydrophobicContact CG2-CD2 4.41Å; I631-L633 PolarHBondContact O-N 3.27Å; I631-V636 HydrophobicContact CG2-CG2 3.87Å; I631-F653 HydrophobicContact CD1-CE1 4.4Å; I631-G673 PolarHBondContact N-O 2.96Å; I631-G673 VanDerWaalsContact N-O 3.1Å; I631-P675 WeakPolarHBondContact O-CD 3.4Å
632S80.3Confident77.9Confident13 Ų1355.3 Ų55.39%0.09126%0.264CS..  trans-75.2112.1165.2171.10000109.7E634 D635 V636S632-E634 VanDerWaalsContact C-N 3.28Å; S632-D635 WeakPolarHBondContact CB-OD2 3.5Å; S632-D635 PolarHBondContact O-N 2.74Å; S632-D635 VanDerWaalsContact OG-CG 3.28Å; S632-D635 PolarHBondContact OG-N 3.18Å; S632-D635 PolarHBondContact OG-OD2 3.28Å; S632-V636 WeakPolarHBondContact O-CG2 3.42Å; S632-V636 PolarHBondContact O-N 2.84Å
633L75.9Confident77.9Confident86 Ų8651.7 Ų51.745%0.4525%0.247SC..Hα-helixtrans-68.7-29.1174.6-69.9178.3000112I631 V636 Y637 I674I631-L633 HydrophobicContact CG2-CD2 4.41Å; I631-L633 PolarHBondContact O-N 3.27Å; L633-V636 PolarHBondContact O-N 2.9Å; L633-Y637 VanDerWaalsContact O-CB 3.24Å; L633-Y637 WeakPolarHBondContact O-CB 3.36Å; L633-Y637 PolarHBondContact O-N 3.21Å; L633-I674 HydrophobicContact CD1-CG2 3.54Å; L633-I674 HydrophobicContact CG-CG2 3.84Å
634E70Confident77.6Confident74 Ų7451.4 Ų51.435%0.34625%0.254SS..Hα-helixtrans-58.4-49.8172.9-174.8-164.8130.600110.7S632 Y637 R638S632-E634 VanDerWaalsContact C-N 3.28Å; E634-Y637 PolarHBondContact O-N 3.37Å; E634-R638 WeakPolarHBondContact O-CB 3.23Å; E634-R638 PolarHBondContact O-N 2.83Å; E634-R638 IonicContact OE1-NH1 2.72Å; E634-R638 PolarHBondContact OE1-NH1 3.26Å
635D74.2Confident76.5Confident25 Ų2556.7 Ų56.713%0.13428%0.282CS..Hα-helixtrans-67.3-40.7-180-64.7-54.9000112S632 R638 F639S632-D635 WeakPolarHBondContact CB-OD2 3.5Å; S632-D635 PolarHBondContact O-N 2.74Å; S632-D635 VanDerWaalsContact OG-CG 3.28Å; S632-D635 PolarHBondContact OG-N 3.18Å; S632-D635 PolarHBondContact OG-OD2 3.28Å; D635-R638 IonicContact OD1-CZ 2.76Å; D635-R638 VanDerWaalsContact OD1-CZ 3.23Å; D635-R638 IonicContact OD1-NH1 2.62Å; D635-R638 PolarHBondContact OD1-NH1 2.87Å; D635-R638 IonicContact OD1-NH2 3.41Å; D635-R638 PolarHBondContact OD1-NH2 2.86Å; D635-F639 VanDerWaalsContact O-CB 3.31Å; D635-F639 WeakPolarHBondContact O-CB 3.49Å; D635-F639 PolarHBondContact O-N 3.21Å
636V75.9Confident75.5Confident17 Ų1759.9 Ų59.910%0.10329%0.292CS..Hα-helixtrans-61.6-50.2175.7171.50000111I631 S632 L633 F639 T640 H650 F653I631-V636 HydrophobicContact CG2-CG2 3.87Å; S632-V636 WeakPolarHBondContact O-CG2 3.42Å; S632-V636 PolarHBondContact O-N 2.84Å; L633-V636 PolarHBondContact O-N 2.9Å; V636-F639 PolarHBondContact O-N 2.95Å; V636-T640 PolarHBondContact O-N 3.46Å; V636-T640 PolarHBondContact O-OG1 2.85Å; V636-T640 VanDerWaalsContact O-OG1 3.09Å; V636-H650 HydrophobicContact CG2-CB 4.32Å; V636-H650 WeakPolarHBondContact CG2-ND1 3.43Å; V636-F653 HydrophobicContact CG1-CE2 3.91Å; V636-F653 HydrophobicContact CG1-CZ 3.93Å; V636-F653 HydrophobicContact CG2-CE2 4.46Å; V636-F653 HydrophobicContact CG2-CZ 4.36Å
637Y73.5Confident74.2Confident165 Ų16566.7 Ų66.765%0.64733%0.328SS*.Hα-helixtrans-62-47.4179.5-179.6-96.7000111.4L633 E634 F639 T640 Y641L633-Y637 VanDerWaalsContact O-CB 3.24Å; L633-Y637 WeakPolarHBondContact O-CB 3.36Å; L633-Y637 PolarHBondContact O-N 3.21Å; E634-Y637 PolarHBondContact O-N 3.37Å; Y637-F639 VanDerWaalsContact C-N 3.3Å; Y637-F639 PolarHBondContact O-N 2.86Å; Y637-T640 PolarHBondContact O-N 3.43Å; Y637-Y641 WeakPolarHBondContact O-CB 3.4Å; Y637-Y641 PolarHBondContact O-N 3.46Å
638R68.2Low73.1Confident76 Ų7669.8 Ų69.829%0.28734%0.343SS..Hα-helixtrans-61-38.5178.7-167.1177.970.4-117.5-10.8111.9E634 D635 I642E634-R638 WeakPolarHBondContact O-CB 3.23Å; E634-R638 PolarHBondContact O-N 2.83Å; E634-R638 IonicContact OE1-NH1 2.72Å; E634-R638 PolarHBondContact OE1-NH1 3.26Å; D635-R638 IonicContact OD1-CZ 2.76Å; D635-R638 VanDerWaalsContact OD1-CZ 3.23Å; D635-R638 IonicContact OD1-NH1 2.62Å; D635-R638 PolarHBondContact OD1-NH1 2.87Å; D635-R638 IonicContact OD1-NH2 3.41Å; D635-R638 PolarHBondContact OD1-NH2 2.86Å; R638-I642 HydrophobicContact CG-CD1 4.07Å; R638-I642 WeakPolarHBondContact O-CB 3.49Å; R638-I642 WeakPolarHBondContact O-CD1 3.48Å; R638-I642 VanDerWaalsContact O-CG1 3.22Å; R638-I642 WeakPolarHBondContact O-CG1 3.33Å; R638-I642 PolarHBondContact O-N 2.82Å
639F72.8Confident72.3Confident54 Ų5476.4 Ų76.424%0.23737%0.374CS..Hα-helixtrans-65.5-46.5173.9-178.4-94.8000112.2D635 V636 Y637 Y641 I642 Q643 I648 H650D635-F639 VanDerWaalsContact O-CB 3.31Å; D635-F639 WeakPolarHBondContact O-CB 3.49Å; D635-F639 PolarHBondContact O-N 3.21Å; V636-F639 PolarHBondContact O-N 2.95Å; Y637-F639 VanDerWaalsContact C-N 3.3Å; Y637-F639 PolarHBondContact O-N 2.86Å; F639-Y641 VanDerWaalsContact C-N 3.31Å; F639-Y641 PolarHBondContact O-N 2.97Å; F639-I642 PolarHBondContact O-N 2.95Å; F639-Q643 HydrophobicContact CD1-CG 4.4Å; F639-Q643 HydrophobicContact CE1-CG 4.23Å; F639-Q643 HydrophobicContact CZ-CG 4.37Å; F639-Q643 VanDerWaalsContact O-CG 3.28Å; F639-Q643 WeakPolarHBondContact O-CG 3.11Å; F639-Q643 PolarHBondContact O-N 2.87Å; F639-I648 HydrophobicContact CE1-CB 4.03Å; F639-I648 HydrophobicContact CE1-CG2 3.87Å; F639-I648 HydrophobicContact CZ-CG2 4.22Å; F639-H650 HydrophobicContact CD1-CB 4.03Å; F639-H650 AromaticContact CD1-CD2 3.81Å; F639-H650 AromaticContact CD2-CD2 3.91Å; F639-H650 HydrophobicContact CE1-CB 4.34Å; F639-H650 AromaticContact CG-CD2 3.5Å
640T73.4Confident72Confident38 Ų3877.1 Ų77.123%0.23338%0.377CS..Hα-helixtrans-59.3-41.5175.9-60.60000112V636 Y637 Q643 N645V636-T640 PolarHBondContact O-N 3.46Å; V636-T640 PolarHBondContact O-OG1 2.85Å; V636-T640 VanDerWaalsContact O-OG1 3.09Å; Y637-T640 PolarHBondContact O-N 3.43Å; T640-Q643 PolarHBondContact O-N 3.22Å; T640-N645 WeakPolarHBondContact O-CA 3.25Å; T640-N645 PolarHBondContact O-N 2.71Å
641Y69.3Low71.8Confident149 Ų14979.9 Ų79.958%0.58440%0.396SS*.Hα-helixtrans-63.8-49.9176.5-176.3-92.2000112.2Y637 F639 Q643 G644Y637-Y641 WeakPolarHBondContact O-CB 3.4Å; Y637-Y641 PolarHBondContact O-N 3.46Å; F639-Y641 VanDerWaalsContact C-N 3.31Å; F639-Y641 PolarHBondContact O-N 2.97Å; Y641-Q643 PolarHBondContact O-N 3.47Å; Y641-G644 PolarHBondContact O-N 3.13Å
642I69.1Low71.9Confident122 Ų12279.3 Ų79.363%0.62639%0.393SS*.Hα-helixtrans-58.7-32.3177.2-71.3166.4000111.8R638 F639 G644R638-I642 HydrophobicContact CG-CD1 4.07Å; R638-I642 WeakPolarHBondContact O-CB 3.49Å; R638-I642 WeakPolarHBondContact O-CD1 3.48Å; R638-I642 VanDerWaalsContact O-CG1 3.22Å; R638-I642 WeakPolarHBondContact O-CG1 3.33Å; R638-I642 PolarHBondContact O-N 2.82Å; F639-I642 PolarHBondContact O-N 2.95Å; I642-G644 PolarHBondContact O-N 3.47Å
643Q70.5Confident72.2Confident82 Ų8283 Ų8338%0.38341%0.407SS..THydrogen-bonded Turntrans-82.614.8175.9-63.8-65.1-17.400113.9F639 T640 Y641 I648F639-Q643 HydrophobicContact CD1-CG 4.4Å; F639-Q643 HydrophobicContact CE1-CG 4.23Å; F639-Q643 HydrophobicContact CZ-CG 4.37Å; F639-Q643 VanDerWaalsContact O-CG 3.28Å; F639-Q643 WeakPolarHBondContact O-CG 3.11Å; F639-Q643 PolarHBondContact O-N 2.87Å; T640-Q643 PolarHBondContact O-N 3.22Å; Y641-Q643 PolarHBondContact O-N 3.47Å; Q643-I648 HydrophobicContact CB-CD1 3.76Å; Q643-I648 HydrophobicContact CB-CG1 4.22Å; Q643-I648 HydrophobicContact CG-CD1 3.88Å; Q643-I648 HydrophobicContact CG-CG1 4.5Å
644G66.5Low72.6Confident55 Ų5584.9 Ų84.957%0.56741%0.412SS*.THydrogen-bonded Turntrans72.839.7176.500000113.4Y641 I642 K646Y641-G644 PolarHBondContact O-N 3.13Å; I642-G644 PolarHBondContact O-N 3.47Å; G644-K646 PolarHBondContact O-N 3.42Å; G644-K646 VanDerWaalsContact O-N 3.12Å
645N62.3Low73.4Confident111 Ų11181.8 Ų81.859%0.59440%0.398SS*.THydrogen-bonded Turntrans56.920.8-176.7-66.1-24.1000114.9T640T640-N645 WeakPolarHBondContact O-CA 3.25Å; T640-N645 PolarHBondContact O-N 2.71Å
646K61.6Low74Confident142 Ų14282.2 Ų82.262%0.61740%0.398SS*.  trans-78.2137.7170.7-66.4175.4-176.2172.30109.6G644 I648G644-K646 PolarHBondContact O-N 3.42Å; G644-K646 VanDerWaalsContact O-N 3.12Å; K646-I648 VanDerWaalsContact C-N 3.27Å; K646-I648 HydrophobicContact CB-CD1 4.34Å; K646-I648 HydrophobicContact CB-CG1 3.94Å; K646-I648 PolarHBondContact O-N 2.81Å
647I60Low74.5Confident167 Ų16786.2 Ų86.286%0.85642%0.416SS*.  trans-71.586.8172.1-54.2176.1000107.9
648I63.1Low75Confident64 Ų6482.1 Ų82.133%0.32841%0.405SS..  trans-103.4136.1173.1-56.1-164.9000108.1F639 Q643 K646 H650F639-I648 HydrophobicContact CE1-CB 4.03Å; F639-I648 HydrophobicContact CE1-CG2 3.87Å; F639-I648 HydrophobicContact CZ-CG2 4.22Å; Q643-I648 HydrophobicContact CB-CD1 3.76Å; Q643-I648 HydrophobicContact CB-CG1 4.22Å; Q643-I648 HydrophobicContact CG-CD1 3.88Å; Q643-I648 HydrophobicContact CG-CG1 4.5Å; K646-I648 VanDerWaalsContact C-N 3.27Å; K646-I648 HydrophobicContact CB-CD1 4.34Å; K646-I648 HydrophobicContact CB-CG1 3.94Å; K646-I648 PolarHBondContact O-N 2.81Å; I648-H650 PolarHBondContact O-N 3.2Å
649H71.6Confident75.8Confident146 Ų14678.5 Ų78.568%0.67639%0.392SS*.  trans-62.197179-66-108000110.5
650H81.4Confident76.3Confident14 Ų1477.7 Ų77.77%0.06539%0.39CS..  trans-55141.3170.3-177.1-111.7000110V636 F639 I648 S652 F653V636-H650 HydrophobicContact CG2-CB 4.32Å; V636-H650 WeakPolarHBondContact CG2-ND1 3.43Å; F639-H650 HydrophobicContact CD1-CB 4.03Å; F639-H650 AromaticContact CD1-CD2 3.81Å; F639-H650 AromaticContact CD2-CD2 3.91Å; F639-H650 HydrophobicContact CE1-CB 4.34Å; F639-H650 AromaticContact CG-CD2 3.5Å; I648-H650 PolarHBondContact O-N 3.2Å; H650-S652 PolarHBondContact CE1-OG 3.13Å; H650-S652 WeakPolarHBondContact ND1-CB 3.28Å; H650-S652 PolarHBondContact ND1-N 3.16Å; H650-S652 PolarHBondContact ND1-OG 3.19Å; H650-S652 PolarHBondContact O-N 3.21Å; H650-F653 HydrophobicContact CB-CD2 3.8Å; H650-F653 HydrophobicContact CB-CE2 3.95Å; H650-F653 WeakPolarHBondContact O-CB 3.45Å; H650-F653 PolarHBondContact O-N 3.24Å
651P85.4Confident76.7Confident64 Ų6482.3 Ų82.342%0.41641%0.408SS..Hα-helixtrans-58.7-20.4-174.5-26.936.1000115.1L39 F653 K654 L655L39-P651 HydrophobicContact CD1-CB 4.06Å; L39-P651 HydrophobicContact CD2-CB 4.31Å; P651-F653 VanDerWaalsContact C-N 3.3Å; P651-F653 PolarHBondContact O-N 3.12Å; P651-K654 PolarHBondContact O-N 2.9Å; P651-L655 WeakPolarHBondContact O-CB 3.43Å; P651-L655 PolarHBondContact O-N 2.84Å
652S85.1Confident77.4Confident2 Ų275.9 Ų75.91%0.01439%0.385CS..Hα-helixtrans-61-36.2170.3-56.80000113.1L39 H650 L655 F656L39-S652 VanDerWaalsContact CD1-OG 3.3Å; L39-S652 WeakPolarHBondContact CD1-OG 3.48Å; H650-S652 PolarHBondContact CE1-OG 3.13Å; H650-S652 WeakPolarHBondContact ND1-CB 3.28Å; H650-S652 PolarHBondContact ND1-N 3.16Å; H650-S652 PolarHBondContact ND1-OG 3.19Å; H650-S652 PolarHBondContact O-N 3.21Å; S652-L655 PolarHBondContact O-N 3.25Å; S652-F656 WeakPolarHBondContact O-CB 3.24Å; S652-F656 PolarHBondContact O-N 2.95Å
653F85.8Confident77.8Confident89 Ų8973.9 Ų73.939%0.3938%0.38SS..Hα-helixtrans-71.6-39.2178.6-61.5-56.7000111.1I631 V636 H650 P651 F656 E657I631-F653 HydrophobicContact CD1-CE1 4.4Å; V636-F653 HydrophobicContact CG1-CE2 3.91Å; V636-F653 HydrophobicContact CG1-CZ 3.93Å; V636-F653 HydrophobicContact CG2-CE2 4.46Å; V636-F653 HydrophobicContact CG2-CZ 4.36Å; H650-F653 HydrophobicContact CB-CD2 3.8Å; H650-F653 HydrophobicContact CB-CE2 3.95Å; H650-F653 WeakPolarHBondContact O-CB 3.45Å; H650-F653 PolarHBondContact O-N 3.24Å; P651-F653 VanDerWaalsContact C-N 3.3Å; P651-F653 PolarHBondContact O-N 3.12Å; F653-F656 WeakPolarHBondContact O-CB 3.31Å; F653-F656 PolarHBondContact O-N 3.06Å; F653-E657 WeakPolarHBondContact O-CB 3.34Å; F653-E657 PolarHBondContact O-N 3.1Å
654K85.3Confident78.1Confident127 Ų12772.7 Ų72.755%0.55238%0.376SS*.Hα-helixtrans-63.1-44.3171.2-175.3179.6175.1-177.90111.5P651 F656 E657 D658P651-K654 PolarHBondContact O-N 2.9Å; K654-F656 PolarHBondContact O-N 3.28Å; K654-E657 CarbonylContact O-C 3.6Å; K654-E657 WeakPolarHBondContact O-CB 3.36Å; K654-E657 PolarHBondContact O-N 2.67Å; K654-D658 VanDerWaalsContact O-CG 3.32Å; K654-D658 PolarHBondContact O-N 2.97Å
655L86.9Confident78.7Confident8 Ų870.1 Ų70.14%0.04235%0.349CS..Hα-helixtrans-63.2-29.7176.117959.4000112.2I37 G38 L39 S611 L614 F629 P651 S652 V659I37-L655 HydrophobicContact CG2-CD1 4.43Å; I37-L655 HydrophobicContact CG2-CD2 4.33Å; I37-L655 HydrophobicContact CG2-CG 4.36Å; G38-L655 VanDerWaalsContact C-CD2 3.48Å; L39-L655 HydrophobicContact CD2-CD2 4.03Å; S611-L655 VanDerWaalsContact O-CD1 3.27Å; S611-L655 WeakPolarHBondContact O-CD1 3.41Å; L614-L655 HydrophobicContact CD1-CD1 4.05Å; L614-L655 HydrophobicContact CG-CD1 4.24Å; F629-L655 HydrophobicContact CE2-CG 3.99Å; F629-L655 HydrophobicContact CZ-CB 4.24Å; F629-L655 HydrophobicContact CZ-CD2 4.39Å; F629-L655 HydrophobicContact CZ-CG 4Å; P651-L655 WeakPolarHBondContact O-CB 3.43Å; P651-L655 PolarHBondContact O-N 2.84Å; S652-L655 PolarHBondContact O-N 3.25Å; L655-V659 WeakPolarHBondContact O-CG2 3.3Å; L655-V659 PolarHBondContact O-N 2.98Å
656F87.1Confident79.2Confident34 Ų3467.1 Ų67.115%0.14934%0.335CS..Hα-helixtrans-72.9-41174.1-169.9-121.3000111.6F629 S652 F653 K654 V659 I660 I670 I672 L695F629-F656 HydrophobicContact CB-CD2 4.47Å; F629-F656 HydrophobicContact CB-CE2 4.47Å; F629-F656 AromaticContact CD1-CD2 3.6Å; F629-F656 HydrophobicContact CD1-CD2 3.6Å; F629-F656 HydrophobicContact CD1-CE2 4.19Å; F629-F656 HydrophobicContact CD1-CG 4.44Å; F629-F656 AromaticContact CD2-CD2 3.9Å; F629-F656 HydrophobicContact CD2-CD2 3.9Å; F629-F656 HydrophobicContact CE1-CB 3.82Å; F629-F656 AromaticContact CE1-CD2 3.71Å; F629-F656 HydrophobicContact CE1-CD2 3.71Å; F629-F656 HydrophobicContact CE1-CG 4.14Å; F629-F656 HydrophobicContact CE2-CB 4.15Å; F629-F656 AromaticContact CE2-CD2 3.99Å; F629-F656 HydrophobicContact CE2-CD2 3.99Å; F629-F656 AromaticContact CG-CD2 3.72Å; F629-F656 HydrophobicContact CG-CD2 3.72Å; F629-F656 HydrophobicContact CG-CE2 4.18Å; F629-F656 HydrophobicContact CZ-CB 3.58Å; F629-F656 AromaticContact CZ-CD2 3.91Å; F629-F656 HydrophobicContact CZ-CD2 3.91Å; F629-F656 HydrophobicContact CZ-CG 4.23Å; S652-F656 WeakPolarHBondContact O-CB 3.24Å; S652-F656 PolarHBondContact O-N 2.95Å; F653-F656 WeakPolarHBondContact O-CB 3.31Å; F653-F656 PolarHBondContact O-N 3.06Å; K654-F656 PolarHBondContact O-N 3.28Å; F656-V659 WeakPolarHBondContact O-CB 3.07Å; F656-V659 PolarHBondContact O-N 2.87Å; F656-I660 HydrophobicContact CD1-CD1 3.79Å; F656-I660 HydrophobicContact CD2-CD1 4.46Å; F656-I660 HydrophobicContact CE1-CD1 3.41Å; F656-I660 VanDerWaalsContact CE1-CD1 3.41Å; F656-I660 HydrophobicContact CE2-CD1 4.15Å; F656-I660 HydrophobicContact CG-CD1 4.31Å; F656-I660 HydrophobicContact CZ-CD1 3.62Å; F656-I660 WeakPolarHBondContact O-CG1 3.35Å; F656-I660 PolarHBondContact O-N 2.72Å; F656-I670 HydrophobicContact CE2-CG2 4.45Å; F656-I672 HydrophobicContact CE1-CD1 4.49Å; F656-I672 HydrophobicContact CE2-CD1 4.09Å; F656-I672 HydrophobicContact CE2-CG1 4.28Å; F656-I672 HydrophobicContact CZ-CD1 3.65Å; F656-I672 HydrophobicContact CZ-CG1 4.3Å; F656-L695 HydrophobicContact CE1-CD1 4.14Å; F656-L695 HydrophobicContact CZ-CD1 3.64Å
657E85.2Confident80Confident101 Ų10167.6 Ų67.647%0.47234%0.337SS..Hα-helixtrans-60.6-43.7171.4-173.9-178.2-171.600111.7F653 K654 V659 I660 H661F653-E657 WeakPolarHBondContact O-CB 3.34Å; F653-E657 PolarHBondContact O-N 3.1Å; K654-E657 CarbonylContact O-C 3.6Å; K654-E657 WeakPolarHBondContact O-CB 3.36Å; K654-E657 PolarHBondContact O-N 2.67Å; E657-V659 VanDerWaalsContact C-N 3.27Å; E657-V659 PolarHBondContact O-N 2.86Å; E657-I660 PolarHBondContact O-N 3.14Å; E657-H661 WeakPolarHBondContact O-CB 3.39Å; E657-H661 PolarHBondContact O-N 3.41Å; E657-H661 PolarHBondContact O-ND1 3.2Å
658D85Confident81.1Confident79 Ų7962 Ų6242%0.42231%0.307SS..Hα-helixtrans-62.8-31174.6-70.2-38.6000112L614 K654L614-D658 HydrophobicContact CD1-CB 4.34Å; K654-D658 VanDerWaalsContact O-CG 3.32Å; K654-D658 PolarHBondContact O-N 2.97Å
659V84.4Confident82Confident0 Ų062.3 Ų62.30%031%0.309CS..Hα-helixtrans-74.7-45.8172.7167.80000111.6I37 L614 F629 L655 F656 E657 H661 S662 L665 I670I37-V659 HydrophobicContact CD1-CG2 3.87Å; I37-V659 HydrophobicContact CG2-CG2 3.97Å; L614-V659 HydrophobicContact CD1-CG2 3.67Å; F629-V659 HydrophobicContact CD2-CG2 4.13Å; F629-V659 HydrophobicContact CE2-CG2 3.92Å; L655-V659 WeakPolarHBondContact O-CG2 3.3Å; L655-V659 PolarHBondContact O-N 2.98Å; F656-V659 WeakPolarHBondContact O-CB 3.07Å; F656-V659 PolarHBondContact O-N 2.87Å; E657-V659 VanDerWaalsContact C-N 3.27Å; E657-V659 PolarHBondContact O-N 2.86Å; V659-H661 VanDerWaalsContact C-N 3.29Å; V659-H661 PolarHBondContact O-N 2.95Å; V659-S662 WeakPolarHBondContact O-CB 3.17Å; V659-S662 PolarHBondContact O-N 2.81Å; V659-S662 VanDerWaalsContact O-N 3.14Å; V659-L665 HydrophobicContact CB-CD1 4.34Å; V659-L665 HydrophobicContact CG1-CB 4.25Å; V659-L665 HydrophobicContact CG1-CD1 4.08Å; V659-L665 HydrophobicContact CG2-CD1 4.07Å; V659-I670 HydrophobicContact CG1-CD1 4.04Å
660I83.4Confident82.5Confident38 Ų3856 Ų5620%0.19528%0.28CS..Hα-helixtrans-70.5-23.3-178.2-72.1175.3000112.5F656 E657 T666 L695 V697F656-I660 HydrophobicContact CD1-CD1 3.79Å; F656-I660 HydrophobicContact CD2-CD1 4.46Å; F656-I660 HydrophobicContact CE1-CD1 3.41Å; F656-I660 VanDerWaalsContact CE1-CD1 3.41Å; F656-I660 HydrophobicContact CE2-CD1 4.15Å; F656-I660 HydrophobicContact CG-CD1 4.31Å; F656-I660 HydrophobicContact CZ-CD1 3.62Å; F656-I660 WeakPolarHBondContact O-CG1 3.35Å; F656-I660 PolarHBondContact O-N 2.72Å; E657-I660 PolarHBondContact O-N 3.14Å; I660-T666 WeakPolarHBondContact O-CG2 3.41Å; I660-L695 HydrophobicContact CD1-CD1 4.34Å; I660-V697 HydrophobicContact CG2-CG1 4.25Å
661H83Confident82.6Confident135 Ų13555.7 Ų55.763%0.62528%0.279SS*.THydrogen-bonded Turntrans-91.2-1.7172.1-67.398.2000113.9E657 V659E657-H661 WeakPolarHBondContact O-CB 3.39Å; E657-H661 PolarHBondContact O-N 3.41Å; E657-H661 PolarHBondContact O-ND1 3.2Å; V659-H661 VanDerWaalsContact C-N 3.29Å; V659-H661 PolarHBondContact O-N 2.95Å
662S82.2Confident82.4Confident13 Ų1353.3 Ų53.39%0.09126%0.263CS..  trans-79.3122.4177.7177.10000111.1V659 D664 L665 T666V659-S662 WeakPolarHBondContact O-CB 3.17Å; V659-S662 PolarHBondContact O-N 2.81Å; V659-S662 VanDerWaalsContact O-N 3.14Å; S662-D664 PolarHBondContact O-N 3.29Å; S662-D664 VanDerWaalsContact O-N 3.09Å; S662-L665 PolarHBondContact O-N 3.5Å; S662-T666 WeakPolarHBondContact O-CB 3.49Å; S662-T666 VanDerWaalsContact O-CG2 3.25Å; S662-T666 WeakPolarHBondContact O-CG2 3.36Å; S662-T666 PolarHBondContact O-N 3.37Å; S662-T666 PolarHBondContact O-OG1 3.2Å
663P79.1Confident81.9Confident80 Ų8053.3 Ų53.352%0.51926%0.262SS..THydrogen-bonded Turntrans-68.2-12.4-174.328.9-36.5000113.7T666 K667P663-T666 WeakPolarHBondContact CA-OG1 3.44Å; P663-T666 PolarHBondContact O-OG1 2.81Å; P663-K667 WeakPolarHBondContact O-CE 3.47Å; P663-K667 PolarHBondContact O-NZ 3.17Å
664D77Confident81.3Confident58 Ų5850.3 Ų50.331%0.3125%0.25SS..THydrogen-bonded Turntrans-103.6-31-178.3-55.6-49.8000112.4F621 S662 K667F621-D664 HydrophobicContact CB-CB 4.4Å; S662-D664 PolarHBondContact O-N 3.29Å; S662-D664 VanDerWaalsContact O-N 3.09Å; D664-K667 IonicContact OD1-NZ 3.08Å; D664-K667 PolarHBondContact OD1-NZ 3Å; D664-K667 VanDerWaalsContact OD1-NZ 3.08Å
665L77.9Confident80.4Confident0 Ų045.6 Ų45.60%023%0.233CC..THydrogen-bonded Turntrans-79.5-34.7175.3-60.5177000112.1L35 I37 L614 F621 I627 V659 S662 K667 K668L35-L665 HydrophobicContact CD2-CD2 3.83Å; I37-L665 HydrophobicContact CD1-CD1 4.25Å; L614-L665 HydrophobicContact CD1-CD1 4.39Å; F621-L665 HydrophobicContact CB-CD2 3.76Å; F621-L665 HydrophobicContact CD1-CD2 3.82Å; F621-L665 HydrophobicContact CD2-CD1 4.17Å; F621-L665 HydrophobicContact CD2-CD2 3.81Å; F621-L665 HydrophobicContact CD2-CG 3.91Å; F621-L665 HydrophobicContact CE1-CD2 4.39Å; F621-L665 HydrophobicContact CE2-CD1 4.05Å; F621-L665 HydrophobicContact CE2-CD2 4.38Å; F621-L665 HydrophobicContact CE2-CG 4.31Å; F621-L665 HydrophobicContact CG-CD2 3.52Å; F621-L665 HydrophobicContact CG-CG 4.15Å; F621-L665 HydrophobicContact CZ-CD1 4.38Å; I627-L665 HydrophobicContact CD1-CB 3.61Å; I627-L665 HydrophobicContact CD1-CD2 3.6Å; I627-L665 HydrophobicContact CD1-CG 4.13Å; I627-L665 HydrophobicContact CG1-CD2 4.36Å; V659-L665 HydrophobicContact CB-CD1 4.34Å; V659-L665 HydrophobicContact CG1-CB 4.25Å; V659-L665 HydrophobicContact CG1-CD1 4.08Å; V659-L665 HydrophobicContact CG2-CD1 4.07Å; S662-L665 PolarHBondContact O-N 3.5Å; L665-K667 PolarHBondContact O-N 3.1Å; L665-K667 VanDerWaalsContact O-N 3.1Å; L665-K668 WeakPolarHBondContact O-CB 2.97Å; L665-K668 PolarHBondContact O-N 3.27Å
666T73.7Confident78.9Confident49 Ų4949.9 Ų49.930%0.30126%0.255SS..THydrogen-bonded Turntrans-58.6-19.6175.540.40000115.2I660 S662 P663I660-T666 WeakPolarHBondContact O-CG2 3.41Å; S662-T666 WeakPolarHBondContact O-CB 3.49Å; S662-T666 VanDerWaalsContact O-CG2 3.25Å; S662-T666 WeakPolarHBondContact O-CG2 3.36Å; S662-T666 PolarHBondContact O-N 3.37Å; S662-T666 PolarHBondContact O-OG1 3.2Å; P663-T666 WeakPolarHBondContact CA-OG1 3.44Å; P663-T666 PolarHBondContact O-OG1 2.81Å
667K78.4Confident77.1Confident151 Ų15152.9 Ų52.966%0.65727%0.268SS*.THydrogen-bonded Turntrans-86-7.3177.5-57.2175.4-172.81180113P663 D664 L665P663-K667 WeakPolarHBondContact O-CE 3.47Å; P663-K667 PolarHBondContact O-NZ 3.17Å; D664-K667 IonicContact OD1-NZ 3.08Å; D664-K667 PolarHBondContact OD1-NZ 3Å; D664-K667 VanDerWaalsContact OD1-NZ 3.08Å; L665-K667 PolarHBondContact O-N 3.1Å; L665-K667 VanDerWaalsContact O-N 3.1Å
668K81.8Confident75.2Confident50 Ų5056 Ų5622%0.21728%0.28CS..SBendtrans-102.9152-178.1-49.6-60.7-172.41640109.4F621 E622 V624 I627 L665 I670F621-K668 WeakPolarHBondContact O-CE 3.36Å; E622-K668 PolarHBondContact O-NZ 3.34Å; V624-K668 HydrophobicContact CG2-CG 4.41Å; V624-K668 VanDerWaalsContact O-CD 3.3Å; V624-K668 WeakPolarHBondContact O-CD 3.49Å; V624-K668 WeakPolarHBondContact O-CE 3.34Å; V624-K668 PolarHBondContact O-NZ 2.88Å; I627-K668 HydrophobicContact CD1-CB 3.9Å; I627-K668 HydrophobicContact CD1-CG 4.29Å; I627-K668 HydrophobicContact CG1-CB 4.13Å; L665-K668 WeakPolarHBondContact O-CB 2.97Å; L665-K668 PolarHBondContact O-N 3.27Å; K668-I670 PolarHBondContact O-N 2.9Å
669D82.2Confident72.8Confident70 Ų7053.8 Ų53.837%0.37428%0.276SS..EExtended strand (participates in β ladder)trans-67.3135.2169.7-91.6-34.6000110.6M626 I627 K694M626-D669 WeakPolarHBondContact CA-O 3.42Å; M626-D669 HydrophobicContact CG-CB 4.01Å; M626-D669 VanDerWaalsContact CG-O 3.25Å; M626-D669 WeakPolarHBondContact CG-O 3.48Å; I627-D669 PolarHBondContact N-O 2.71Å; D669-K694 WeakPolarHBondContact OD1-CE 3.08Å; D669-K694 IonicContact OD1-NZ 3.09Å; D669-K694 PolarHBondContact OD1-NZ 2.85Å; D669-K694 IonicContact OD2-NZ 3.32Å; D669-K694 PolarHBondContact OD2-NZ 2.93Å
670I82.9Confident70.5Confident13 Ų1357.4 Ų57.47%0.06730%0.301CS..EExtended strand (participates in β ladder)trans-114.6125.1-180-51.8-178.3000108.8I627 F629 F656 V659 K668I627-I670 HydrophobicContact CB-CG1 4.32Å; I627-I670 HydrophobicContact CD1-CG1 4.14Å; I627-I670 HydrophobicContact CG2-CG2 4.47Å; I627-I670 WeakPolarHBondContact O-CA 3.45Å; F629-I670 HydrophobicContact CB-CG2 4.4Å; F656-I670 HydrophobicContact CE2-CG2 4.45Å; V659-I670 HydrophobicContact CG1-CD1 4.04Å; K668-I670 PolarHBondContact O-N 2.9Å
671I83.2Confident68Low8 Ų860.2 Ų60.24%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-114.4140.4172.2-60.7-168.4000109M626 I627 L628 F629 I690 I692M626-I671 HydrophobicContact CE-CB 3.85Å; M626-I671 HydrophobicContact CE-CD1 3.81Å; M626-I671 HydrophobicContact CE-CG1 3.81Å; M626-I671 HydrophobicContact CG-CG1 4.49Å; M626-I671 HydrophobicContact SD-CB 4.48Å; M626-I671 HydrophobicContact SD-CD1 3.43Å; M626-I671 WeakPolarHBondContact SD-CD1 3.46Å; M626-I671 HydrophobicContact SD-CG1 3.76Å; I627-I671 PolarHBondContact O-N 3.01Å; L628-I671 WeakPolarHBondContact CA-O 3.43Å; L628-I671 HydrophobicContact CD1-CB 3.86Å; L628-I671 HydrophobicContact CD1-CG2 3.65Å; F629-I671 PolarHBondContact N-O 3.01Å; I671-I690 HydrophobicContact CG2-CG2 3.18Å; I671-I692 HydrophobicContact CD1-CD1 4.4Å; I671-I692 HydrophobicContact CD1-CG1 4.31Å; I671-I692 HydrophobicContact CD1-CG2 4.18Å; I671-I692 HydrophobicContact CG1-CG2 4.25Å; I671-I692 HydrophobicContact CG2-CG1 4.18Å
672I80.9Confident65.5Low15 Ų1556.8 Ų56.88%0.07730%0.303CS..EExtended strand (participates in β ladder)trans-100.4109.7-179.8-51.4-178.2000109.8F629 F656 I674 I691 I693 L695F629-I672 CarbonylContact O-C 3.49Å; F629-I672 WeakPolarHBondContact O-CA 3.25Å; F656-I672 HydrophobicContact CE1-CD1 4.49Å; F656-I672 HydrophobicContact CE2-CD1 4.09Å; F656-I672 HydrophobicContact CE2-CG1 4.28Å; F656-I672 HydrophobicContact CZ-CD1 3.65Å; F656-I672 HydrophobicContact CZ-CG1 4.3Å; I672-I674 HydrophobicContact CG2-CG1 4.14Å; I672-I691 PolarHBondContact O-N 2.78Å; I672-I693 HydrophobicContact CD1-CB 4.31Å; I672-I693 HydrophobicContact CD1-CD1 4.15Å; I672-I693 HydrophobicContact CD1-CG1 4.4Å; I672-L695 HydrophobicContact CD1-CD1 4.48Å
673G74.6Confident63Low1 Ų160.7 Ų60.71%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-82.8113.3173.500000111.2F629 F630 I631 P675F629-G673 PolarHBondContact O-N 3.37Å; F630-G673 WeakPolarHBondContact CA-O 3.46Å; I631-G673 PolarHBondContact N-O 2.96Å; I631-G673 VanDerWaalsContact N-O 3.1Å; G673-P675 WeakPolarHBondContact O-CD 3.48Å
674I72.6Confident60.5Low26 Ų2663.8 Ų63.813%0.13333%0.333CS..  trans-109.197.2174-62.2179.7000108.5L633 I672 L676 I691L633-I674 HydrophobicContact CD1-CG2 3.54Å; L633-I674 HydrophobicContact CG-CG2 3.84Å; I672-I674 HydrophobicContact CG2-CG1 4.14Å; I674-L676 PolarHBondContact O-N 2.98Å; I674-L676 VanDerWaalsContact O-N 3.15Å; I674-I691 HydrophobicContact CD1-CD1 3.84Å; I674-I691 HydrophobicContact CD1-CG1 4.2Å
675P66.5Low58.1Low28 Ų2865.8 Ų65.818%0.18235%0.352CS..  trans-71108.3176.729.1-34.6000110.8S42 I631 G673 F677S42-P675 WeakPolarHBondContact O-CG 3.25Å; I631-P675 WeakPolarHBondContact O-CD 3.4Å; G673-P675 WeakPolarHBondContact O-CD 3.48Å; P675-F677 HydrophobicContact CB-CD2 4.44Å; P675-F677 HydrophobicContact CB-CE2 4.23Å; P675-F677 PolarHBondContact O-N 2.91Å
676L55.1Low55.8Low98 Ų9871.3 Ų71.351%0.51338%0.381SS..  trans-85.495.4172-73.2168.5000110.5I674 K678 I689I674-L676 PolarHBondContact O-N 2.98Å; I674-L676 VanDerWaalsContact O-N 3.15Å; L676-K678 PolarHBondContact O-N 3.38Å; L676-K678 VanDerWaalsContact O-N 3.16Å; L676-I689 HydrophobicContact CD1-CB 3.88Å; L676-I689 HydrophobicContact CD1-CD1 3.64Å; L676-I689 HydrophobicContact CD1-CG1 3.8Å
677F50.4Low53.9Low98 Ų9874.6 Ų74.643%0.4339%0.389SS..  trans-77.695.5167.4-79.7-83.1000110.3T46 P675T46-F677 HydrophobicContact CG2-CZ 4.05Å; P675-F677 HydrophobicContact CB-CD2 4.44Å; P675-F677 HydrophobicContact CB-CE2 4.23Å; P675-F677 PolarHBondContact O-N 2.91Å
678K44.9Very low52Low165 Ų16569.2 Ų69.272%0.71737%0.367SS*.  trans-86.8117.6170.1-152.7170.5-170.8175.20109.5L676L676-K678 PolarHBondContact O-N 3.38Å; L676-K678 VanDerWaalsContact O-N 3.16Å
679G35.5Very low49.8Very low33 Ų3370.6 Ų70.634%0.3438%0.376SS..THydrogen-bonded Turntrans-62.4166.8-177.700000114.2N681G679-N681 PolarHBondContact O-N 3.28Å; G679-N681 VanDerWaalsContact O-N 3.14Å
680S35.2Very low47.8Very low76 Ų7668.8 Ų68.853%0.53137%0.366SS..THydrogen-bonded Turntrans68.8-18.1171.176.90000120.7
681N31.4Very low45.6Very low98 Ų9872 Ų7252%0.52438%0.382SS..  trans-137.494.3177.9-68.8-87.8000112.7G679G679-N681 PolarHBondContact O-N 3.28Å; G679-N681 VanDerWaalsContact O-N 3.14Å
682L30.6Very low43.3Very low63 Ų6374.6 Ų74.633%0.3340%0.396SS..  trans-117.683.5166.4-86.498.4000110.5Y556 Q578Y556-L682 WeakPolarHBondContact OH-CD1 2.88Å; Q578-L682 VanDerWaalsContact NE2-CB 3.25Å
683I28.4Very low41.2Very low94 Ų9477.8 Ų77.848%0.48241%0.412SS..SBendtrans-162.4138.9144.5-89.8131.6000105.2E455E455-I683 HydrophobicContact CB-CD1 4.42Å; E455-I683 HydrophobicContact CG-CD1 3.94Å
684L27.7Very low39.3Very low146 Ų14682.3 Ų82.376%0.76443%0.431SS*.SBendtrans68.4123-175-59.6159.6000116.4
685S26.3Very low37.6Very low99 Ų9983 Ų8369%0.69244%0.436SS*.  trans36.587.7162.3620000118.5
686N29.3Very low36.2Very low117 Ų11788.2 Ų88.263%0.62646%0.457SS*.  trans-148.185.4158.9-89.7-70.8000111.6
687Y34.9Very low35.3Very low118 Ų11885.8 Ų85.846%0.46345%0.446SS..  trans5.2122.1154.8-54.1-77.3000118.9V361 I689V361-Y687 HydrophobicContact CB-CD1 3.72Å; V361-Y687 HydrophobicContact CB-CE1 3.85Å; V361-Y687 HydrophobicContact CG1-CD1 4.48Å; V361-Y687 HydrophobicContact CG2-CD1 3.69Å; V361-Y687 HydrophobicContact CG2-CE1 3.54Å; Y687-I689 PolarHBondContact O-N 3.16Å
688I37.5Very low34.3Very low38 Ų3891.2 Ų91.220%0.19547%0.465CS..  trans-73.1109145.9-52.3178.7000106.5F47 I690F47-I688 HydrophobicContact CD2-CD1 3.93Å; I688-I690 VanDerWaalsContact C-N 3.26Å; I688-I690 HydrophobicContact CB-CG1 4.25Å; I688-I690 HydrophobicContact CG2-CD1 4.41Å; I688-I690 HydrophobicContact CG2-CG1 3.63Å; I688-I690 PolarHBondContact O-N 3.4Å
689I36.8Very low33.6Very low78 Ų7893.4 Ų93.440%0.447%0.47SS..  trans-75.388.2169.9-58.1-173.3000108L676 Y687 I691L676-I689 HydrophobicContact CD1-CB 3.88Å; L676-I689 HydrophobicContact CD1-CD1 3.64Å; L676-I689 HydrophobicContact CD1-CG1 3.8Å; Y687-I689 PolarHBondContact O-N 3.16Å; I689-I691 HydrophobicContact CG2-CG1 4.13Å; I689-I691 PolarHBondContact O-N 3.08Å
690I40Very low33.3Very low32 Ų32100.3 Ų100.316%0.16449%0.491CS..EExtended strand (participates in β ladder)trans-75.3106169.8-60.6-175.8000107.3L365 I671 I688 I692L365-I690 HydrophobicContact CD1-CD1 4.11Å; L365-I690 HydrophobicContact CD2-CD1 3.69Å; I671-I690 HydrophobicContact CG2-CG2 3.18Å; I688-I690 VanDerWaalsContact C-N 3.26Å; I688-I690 HydrophobicContact CB-CG1 4.25Å; I688-I690 HydrophobicContact CG2-CD1 4.41Å; I688-I690 HydrophobicContact CG2-CG1 3.63Å; I688-I690 PolarHBondContact O-N 3.4Å; I690-I692 HydrophobicContact CG2-CG1 3.98Å; I690-I692 PolarHBondContact O-N 3.4Å; I690-I692 VanDerWaalsContact O-N 3.16Å
691I36.6Very low32.9Very low80 Ų80106.5 Ų106.541%0.4152%0.516SS..EExtended strand (participates in β ladder)trans-8199.7172.4-49.7-171.3000107.3I672 I674 I689 I693I672-I691 PolarHBondContact O-N 2.78Å; I674-I691 HydrophobicContact CD1-CD1 3.84Å; I674-I691 HydrophobicContact CD1-CG1 4.2Å; I689-I691 HydrophobicContact CG2-CG1 4.13Å; I689-I691 PolarHBondContact O-N 3.08Å; I691-I693 HydrophobicContact CB-CG1 4.36Å; I691-I693 HydrophobicContact CG2-CD1 4.14Å; I691-I693 HydrophobicContact CG2-CG1 3.55Å; I691-I693 PolarHBondContact O-N 3.09Å
692I34.2Very low33Very low64 Ų64106.9 Ų106.933%0.32852%0.516SS..  trans-72.673.8174.3-51.1-178.1000109.1L365 Y368 I671 I690 K694L365-I692 HydrophobicContact CD1-CD1 4.27Å; Y368-I692 HydrophobicContact CD1-CD1 4.23Å; Y368-I692 HydrophobicContact CE1-CD1 4.34Å; I671-I692 HydrophobicContact CD1-CD1 4.4Å; I671-I692 HydrophobicContact CD1-CG1 4.31Å; I671-I692 HydrophobicContact CD1-CG2 4.18Å; I671-I692 HydrophobicContact CG1-CG2 4.25Å; I671-I692 HydrophobicContact CG2-CG1 4.18Å; I690-I692 HydrophobicContact CG2-CG1 3.98Å; I690-I692 PolarHBondContact O-N 3.4Å; I690-I692 VanDerWaalsContact O-N 3.16Å; I692-K694 VanDerWaalsContact C-N 3.35Å; I692-K694 PolarHBondContact O-N 2.73Å; I692-K694 VanDerWaalsContact O-N 3.13Å
693I36Very low33.1Very low82 Ų82109.2 Ų109.242%0.42153%0.526SS..  trans-78.289.3165.3-46.1-171.5000107.3I672 I691 L695I672-I693 HydrophobicContact CD1-CB 4.31Å; I672-I693 HydrophobicContact CD1-CD1 4.15Å; I672-I693 HydrophobicContact CD1-CG1 4.4Å; I691-I693 HydrophobicContact CB-CG1 4.36Å; I691-I693 HydrophobicContact CG2-CD1 4.14Å; I691-I693 HydrophobicContact CG2-CG1 3.55Å; I691-I693 PolarHBondContact O-N 3.09Å; I693-L695 HydrophobicContact CG2-CD1 4.4Å; I693-L695 HydrophobicContact CG2-CG 3.97Å; I693-L695 PolarHBondContact O-N 2.69Å
694K35.5Very low33.4Very low95 Ų95110.1 Ų110.141%0.41353%0.528SS..  trans-69.184.5170.4-176.7156.7178.1146.60109.5D669 I692 H696D669-K694 WeakPolarHBondContact OD1-CE 3.08Å; D669-K694 IonicContact OD1-NZ 3.09Å; D669-K694 PolarHBondContact OD1-NZ 2.85Å; D669-K694 IonicContact OD2-NZ 3.32Å; D669-K694 PolarHBondContact OD2-NZ 2.93Å; I692-K694 VanDerWaalsContact C-N 3.35Å; I692-K694 PolarHBondContact O-N 2.73Å; I692-K694 VanDerWaalsContact O-N 3.13Å; K694-H696 VanDerWaalsContact C-N 3.33Å; K694-H696 PolarHBondContact O-N 3.05Å
695L37.1Very low33.7Very low42 Ų42107.9 Ų107.922%0.2251%0.514CS..  trans-67.787.3175.8-89.8156.6000110.1F656 I660 I672 I693 V697 F700F656-L695 HydrophobicContact CE1-CD1 4.14Å; F656-L695 HydrophobicContact CZ-CD1 3.64Å; I660-L695 HydrophobicContact CD1-CD1 4.34Å; I672-L695 HydrophobicContact CD1-CD1 4.48Å; I693-L695 HydrophobicContact CG2-CD1 4.4Å; I693-L695 HydrophobicContact CG2-CG 3.97Å; I693-L695 PolarHBondContact O-N 2.69Å; L695-V697 VanDerWaalsContact C-N 3.33Å; L695-V697 PolarHBondContact O-N 3.19Å; L695-F700 HydrophobicContact CD2-CB 4.09Å; L695-F700 HydrophobicContact CD2-CD2 4.15Å; L695-F700 HydrophobicContact CD2-CG 4.21Å
696H36.4Very low34.2Very low137 Ų137108.5 Ų108.563%0.63450%0.503SS*.  trans-61.1102.8151.6-95.7-98.9000107.6K694 Y698 Y699K694-H696 VanDerWaalsContact C-N 3.33Å; K694-H696 PolarHBondContact O-N 3.05Å; H696-Y698 PolarHBondContact O-N 2.87Å; H696-Y699 PolarHBondContact O-N 3.26Å
697V35.9Very low34.5Very low47 Ų47107.9 Ų107.929%0.28550%0.495SS..G310 helixtrans-53.7-18.8-171.9179.90000113.5I660 L695 Y699I660-V697 HydrophobicContact CG2-CG1 4.25Å; L695-V697 VanDerWaalsContact C-N 3.33Å; L695-V697 PolarHBondContact O-N 3.19Å; V697-Y699 PolarHBondContact O-N 3.08Å
698Y30.8Very low34.5Very low212 Ų212107.2 Ų107.283%0.83150%0.497SS*.G310 helixtrans-65.9-6177.3-101.6-82.5000117.3H696H696-Y698 PolarHBondContact O-N 2.87Å
699Y30.7Very low34.3Very low210 Ų210112.5 Ų112.582%0.82452%0.521SS*.G310 helixtrans-129.213.1-171.6-105.5-74.8000115.7H696 V697H696-Y699 PolarHBondContact O-N 3.26Å; V697-Y699 PolarHBondContact O-N 3.08Å
700F28.1Very low34.1Very low178 Ų178115.4 Ų115.478%0.78153%0.531SS*.  trans-126.617.4178.3-136.8-90000113.5L695L695-F700 HydrophobicContact CD2-CB 4.09Å; L695-F700 HydrophobicContact CD2-CD2 4.15Å; L695-F700 HydrophobicContact CD2-CG 4.21Å
701I27.7Very low33.5Very low206 Ų206123 Ų123100%1.05656%0.564SS**  trans-109.80166.1-54.1176.1000106.8

Retrieved 701 of 701 residues in 1157.6 ms (Link to these results)

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