A0A096NPE2_PAPAN Loading...

Neuronal PAS domain protein 2

AlphaFold DB (A0A2K5Y832), UniProt , Accession A0A096NPE2, Species PAPAN (Papio anubis, Olive baboon), Gene NPAS2, Length 824 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
1M53.8Low78.3Confident228 Ų228118.3 Ų118.3100%1.12356%0.564SS**  098.10-146.8-175.3-158.600105.3
2D64.2Low79.2Confident112 Ų112113.3 Ų113.360%0.59956%0.557SS**  trans-107.6143.3-134.8-54-74.8000110.9D4 E5 K6D2-D4 PolarHBondContact O-N 3.07Å; D2-D4 VanDerWaalsContact O-N 3.13Å; D2-E5 WeakPolarHBondContact O-CB 3.23Å; D2-E5 PolarHBondContact O-N 3.35Å; D2-K6 PolarHBondContact O-N 3.09Å
3E70.1Confident80.3Confident117 Ų117110.7 Ų110.755%0.54756%0.557SS.*Hα-helixtrans-58.3-28.7179.4-73.8-67.2120.400111.1E5 K6 D7E3-E5 VanDerWaalsContact C-N 3.33Å; E3-E5 PolarHBondContact O-N 3.24Å; E3-K6 WeakPolarHBondContact O-CB 3.46Å; E3-K6 PolarHBondContact O-N 3.34Å; E3-K6 VanDerWaalsContact OE1-CD 3.22Å; E3-K6 WeakPolarHBondContact OE1-CD 3.37Å; E3-K6 IonicContact OE1-NZ 3.87Å; E3-K6 PolarHBondContact OE1-NZ 3.38Å; E3-K6 WeakPolarHBondContact OE2-CD 3.43Å; E3-K6 IonicContact OE2-NZ 2.88Å; E3-K6 PolarHBondContact OE2-NZ 3.23Å; E3-D7 WeakPolarHBondContact O-CB 3.21Å; E3-D7 PolarHBondContact O-N 3.06Å
4D76.4Confident81.3Confident121 Ų121115.9 Ų115.965%0.64757%0.567SS**Hα-helixtrans-60.2-35.4172.8-84.4-47.4000114.2D2 R8D2-D4 PolarHBondContact O-N 3.07Å; D2-D4 VanDerWaalsContact O-N 3.13Å; D4-R8 WeakPolarHBondContact O-CB 3.5Å; D4-R8 PolarHBondContact O-N 3.24Å
5E80.7Confident82.2Confident118 Ų118114.5 Ų114.555%0.55156%0.563SS**Hα-helixtrans-73.6-42.6177.6-167.957.1-121.600110.3D2 E3 D7 R8 A9D2-E5 WeakPolarHBondContact O-CB 3.23Å; D2-E5 PolarHBondContact O-N 3.35Å; E3-E5 VanDerWaalsContact C-N 3.33Å; E3-E5 PolarHBondContact O-N 3.24Å; E5-D7 VanDerWaalsContact C-N 3.29Å; E5-D7 PolarHBondContact O-N 2.61Å; E5-R8 WeakPolarHBondContact O-CB 3.45Å; E5-R8 PolarHBondContact O-N 2.69Å; E5-R8 WeakPolarHBondContact OE1-CD 3.39Å; E5-A9 WeakPolarHBondContact O-CB 3.35Å; E5-A9 PolarHBondContact O-N 3.38Å
6K79.5Confident83Confident108 Ų108117.9 Ų117.947%0.4757%0.574SS.*Hα-helixtrans-60.5-38.4173.2-176-171.5178.5-165.70111.4D2 E3 K10D2-K6 PolarHBondContact O-N 3.09Å; E3-K6 WeakPolarHBondContact O-CB 3.46Å; E3-K6 PolarHBondContact O-N 3.34Å; E3-K6 VanDerWaalsContact OE1-CD 3.22Å; E3-K6 WeakPolarHBondContact OE1-CD 3.37Å; E3-K6 IonicContact OE1-NZ 3.87Å; E3-K6 PolarHBondContact OE1-NZ 3.38Å; E3-K6 WeakPolarHBondContact OE2-CD 3.43Å; E3-K6 IonicContact OE2-NZ 2.88Å; E3-K6 PolarHBondContact OE2-NZ 3.23Å; K6-K10 WeakPolarHBondContact O-CG 3.46Å; K6-K10 PolarHBondContact O-N 2.98Å
7D84.6Confident83.8Confident52 Ų52115 Ų11528%0.27857%0.568SS.*Hα-helixtrans-77.9-34.7177.2-126.353.1000112.6E3 E5 A9 K10 R11E3-D7 WeakPolarHBondContact O-CB 3.21Å; E3-D7 PolarHBondContact O-N 3.06Å; E5-D7 VanDerWaalsContact C-N 3.29Å; E5-D7 PolarHBondContact O-N 2.61Å; D7-A9 VanDerWaalsContact C-N 3.33Å; D7-K10 PolarHBondContact O-N 3.2Å; D7-K10 WeakPolarHBondContact OD1-CD 3.18Å; D7-K10 WeakPolarHBondContact OD1-CE 3.32Å; D7-K10 IonicContact OD1-NZ 3.17Å; D7-K10 PolarHBondContact OD1-NZ 3.08Å; D7-R11 VanDerWaalsContact O-CG 3.27Å; D7-R11 WeakPolarHBondContact O-CG 3.34Å; D7-R11 PolarHBondContact O-N 2.95Å; D7-R11 IonicContact OD2-CZ 3.59Å; D7-R11 IonicContact OD2-NE 2.77Å; D7-R11 IonicContact OD2-NH2 3.73Å; D7-R11 PolarHBondContact OD2-NH2 2.99Å
8R88Confident84.5Confident163 Ų163112.3 Ų112.362%0.61555%0.554SS**Hα-helixtrans-57.7-45.2166.8178.5-178.5-69.6-113.11.6110.6D4 E5 R11 A12D4-R8 WeakPolarHBondContact O-CB 3.5Å; D4-R8 PolarHBondContact O-N 3.24Å; E5-R8 WeakPolarHBondContact O-CB 3.45Å; E5-R8 PolarHBondContact O-N 2.69Å; E5-R8 WeakPolarHBondContact OE1-CD 3.39Å; R8-R11 PolarHBondContact O-N 3.44Å; R8-A12 WeakPolarHBondContact O-CB 3.47Å; R8-A12 PolarHBondContact O-N 2.92Å
9A86Confident85.1Confident56 Ų56112.9 Ų112.946%0.46355%0.553SS.*Hα-helixtrans-63.1-44.6175.600000112.8E5 D7 R11 A12 S13E5-A9 WeakPolarHBondContact O-CB 3.35Å; E5-A9 PolarHBondContact O-N 3.38Å; D7-A9 VanDerWaalsContact C-N 3.33Å; A9-R11 PolarHBondContact O-N 3.48Å; A9-A12 PolarHBondContact O-N 3.21Å; A9-S13 WeakPolarHBondContact O-CB 3.34Å; A9-S13 PolarHBondContact O-N 3.41Å
10K88.9Confident85.6Confident104 Ų104114 Ų11445%0.45256%0.555SS.*Hα-helixtrans-56.2-48.7172.9-70.7172.1-148.1160.80111.7K6 D7 S13 R14K6-K10 WeakPolarHBondContact O-CG 3.46Å; K6-K10 PolarHBondContact O-N 2.98Å; D7-K10 PolarHBondContact O-N 3.2Å; D7-K10 WeakPolarHBondContact OD1-CD 3.18Å; D7-K10 WeakPolarHBondContact OD1-CE 3.32Å; D7-K10 IonicContact OD1-NZ 3.17Å; D7-K10 PolarHBondContact OD1-NZ 3.08Å; K10-S13 PolarHBondContact O-N 3.15Å; K10-R14 PolarHBondContact O-N 3.34Å
11R88.8Confident86.2Confident122 Ų122116.1 Ų116.146%0.4656%0.557SS.*Hα-helixtrans-63.3-43.6179.3-67.1172-147.8131-1.2111.6D7 R8 A9 R14 N15D7-R11 VanDerWaalsContact O-CG 3.27Å; D7-R11 WeakPolarHBondContact O-CG 3.34Å; D7-R11 PolarHBondContact O-N 2.95Å; D7-R11 IonicContact OD2-CZ 3.59Å; D7-R11 IonicContact OD2-NE 2.77Å; D7-R11 IonicContact OD2-NH2 3.73Å; D7-R11 PolarHBondContact OD2-NH2 2.99Å; R8-R11 PolarHBondContact O-N 3.44Å; A9-R11 PolarHBondContact O-N 3.48Å; R11-R14 PolarHBondContact O-N 3.22Å; R11-N15 WeakPolarHBondContact O-CB 3.41Å; R11-N15 PolarHBondContact O-N 3.13Å; R11-N15 PolarHBondContact O-OD1 2.99Å
12A89.3Confident88.2Confident58 Ų58112 Ų11248%0.47953%0.529SS..Hα-helixtrans-62.1-44.5176.400000112.1R8 A9 N15 K16R8-A12 WeakPolarHBondContact O-CB 3.47Å; R8-A12 PolarHBondContact O-N 2.92Å; A9-A12 PolarHBondContact O-N 3.21Å; A12-N15 PolarHBondContact O-N 3.47Å; A12-K16 WeakPolarHBondContact O-CB 3.27Å; A12-K16 PolarHBondContact O-N 3.25Å
13S93.8Very high89.8Confident80 Ų80109.7 Ų109.756%0.55952%0.516SS*.Hα-helixtrans-60.4-48.2175.5-176.40000111.9A9 K10 N15 K16 S17A9-S13 WeakPolarHBondContact O-CB 3.34Å; A9-S13 PolarHBondContact O-N 3.41Å; K10-S13 PolarHBondContact O-N 3.15Å; S13-N15 VanDerWaalsContact C-N 3.34Å; S13-N15 PolarHBondContact O-N 2.69Å; S13-K16 PolarHBondContact O-N 3.07Å; S13-S17 PolarHBondContact O-N 3.18Å
14R93.9Very high91.1Very high183 Ų183109.1 Ų109.169%0.69151%0.513SS*.Hα-helixtrans-58.2-45.4176-166.5-173.174.1159.23.3111.8K10 R11 S17 E18K10-R14 PolarHBondContact O-N 3.34Å; R11-R14 PolarHBondContact O-N 3.22Å; R14-S17 PolarHBondContact O-N 3.41Å; R14-E18 WeakPolarHBondContact O-CB 3.26Å; R14-E18 PolarHBondContact O-N 3.14Å
15N95.3Very high92Very high95 Ų95107.8 Ų107.851%0.50850%0.502SS..Hα-helixtrans-67-36.1179.5-67.8-2.5000112.1R11 A12 S13 K19R11-N15 WeakPolarHBondContact O-CB 3.41Å; R11-N15 PolarHBondContact O-N 3.13Å; R11-N15 PolarHBondContact O-OD1 2.99Å; A12-N15 PolarHBondContact O-N 3.47Å; S13-N15 VanDerWaalsContact C-N 3.34Å; S13-N15 PolarHBondContact O-N 2.69Å; N15-K19 WeakPolarHBondContact O-CB 3.5Å; N15-K19 PolarHBondContact O-N 3.44Å
16K94.9Very high92.7Very high170 Ų170105.1 Ų105.174%0.73949%0.492SS*.Hα-helixtrans-66.4-40.7174.1-170.8176.4-177.5179.40111.9A12 S13 K20A12-K16 WeakPolarHBondContact O-CB 3.27Å; A12-K16 PolarHBondContact O-N 3.25Å; S13-K16 PolarHBondContact O-N 3.07Å; K16-K20 PolarHBondContact O-N 2.96Å
17S95.7Very high93.5Very high68 Ų68104.3 Ų104.348%0.47650%0.495SS..Hα-helixtrans-64.6-48.6175-174.50000111.9S13 R14 K19 K20 R21S13-S17 PolarHBondContact O-N 3.18Å; R14-S17 PolarHBondContact O-N 3.41Å; S17-K19 VanDerWaalsContact C-N 3.34Å; S17-K19 PolarHBondContact O-N 3.26Å; S17-K20 WeakPolarHBondContact O-CB 3.48Å; S17-K20 PolarHBondContact O-N 3.22Å; S17-K20 VanDerWaalsContact O-N 3.11Å; S17-R21 WeakPolarHBondContact O-CG 3.3Å; S17-R21 PolarHBondContact O-N 3.39Å
18E96.3Very high94Very high67 Ų67106.7 Ų106.731%0.31351%0.508SS..Hα-helixtrans-64.1-37.2177.6175.152-156.500112.3R14 R21 R22R14-E18 WeakPolarHBondContact O-CB 3.26Å; R14-E18 PolarHBondContact O-N 3.14Å; E18-R21 PolarHBondContact O-N 3.2Å; E18-R21 IonicContact OE2-CZ 3.73Å; E18-R21 IonicContact OE2-NH1 3.99Å; E18-R21 PolarHBondContact OE2-NH1 3.47Å; E18-R22 WeakPolarHBondContact O-CB 3.24Å; E18-R22 PolarHBondContact O-N 3.14Å; E18-R22 IonicContact OE1-CZ 3.47Å; E18-R22 IonicContact OE1-NE 2.75Å; E18-R22 IonicContact OE1-NH2 3.36Å; E18-R22 PolarHBondContact OE1-NH2 3.08Å
19K96.1Very high94.4Very high124 Ų12499.5 Ų99.554%0.53948%0.482SS..Hα-helixtrans-61-46.9169.3174.3161.6170.351.90111.8N15 S17 R21 R22 D23N15-K19 WeakPolarHBondContact O-CB 3.5Å; N15-K19 PolarHBondContact O-N 3.44Å; S17-K19 VanDerWaalsContact C-N 3.34Å; S17-K19 PolarHBondContact O-N 3.26Å; K19-R21 VanDerWaalsContact C-N 3.34Å; K19-R21 PolarHBondContact O-N 3.18Å; K19-R22 PolarHBondContact O-N 3.04Å; K19-R22 VanDerWaalsContact O-N 3.15Å; K19-D23 WeakPolarHBondContact CE-OD2 3.45Å; K19-D23 WeakPolarHBondContact CG-OD2 3.23Å; K19-D23 IonicContact NZ-OD1 3.21Å; K19-D23 PolarHBondContact NZ-OD1 2.65Å; K19-D23 IonicContact NZ-OD2 3.66Å; K19-D23 PolarHBondContact NZ-OD2 2.68Å; K19-D23 WeakPolarHBondContact O-CB 3.35Å; K19-D23 PolarHBondContact O-N 3.37Å
20K96.4Very high94.6Very high134 Ų134104.6 Ų104.658%0.58349%0.493SS*.Hα-helixtrans-56.6-46.4177.8-174.2-177.3177.3-176.30111.7K16 S17 R22 D23 Q24K16-K20 PolarHBondContact O-N 2.96Å; S17-K20 WeakPolarHBondContact O-CB 3.48Å; S17-K20 PolarHBondContact O-N 3.22Å; S17-K20 VanDerWaalsContact O-N 3.11Å; K20-R22 VanDerWaalsContact C-N 3.35Å; K20-R22 PolarHBondContact O-N 3.13Å; K20-D23 PolarHBondContact O-N 2.91Å; K20-Q24 WeakPolarHBondContact O-CB 3.33Å; K20-Q24 WeakPolarHBondContact O-CG 3.5Å; K20-Q24 PolarHBondContact O-N 3.21Å
21R97.4Very high94.7Very high158 Ų158104.5 Ų104.560%0.59649%0.494SS*.Hα-helixtrans-59.9-43.8176.6-66.3172.773.5-131.47.4111.9S17 E18 K19 Q24 F25S17-R21 WeakPolarHBondContact O-CG 3.3Å; S17-R21 PolarHBondContact O-N 3.39Å; E18-R21 PolarHBondContact O-N 3.2Å; E18-R21 IonicContact OE2-CZ 3.73Å; E18-R21 IonicContact OE2-NH1 3.99Å; E18-R21 PolarHBondContact OE2-NH1 3.47Å; K19-R21 VanDerWaalsContact C-N 3.34Å; K19-R21 PolarHBondContact O-N 3.18Å; R21-Q24 PolarHBondContact O-N 3.29Å; R21-F25 WeakPolarHBondContact O-CB 3.49Å; R21-F25 PolarHBondContact O-N 3.07Å
22R96.7Very high94.8Very high142 Ų142101.3 Ų101.354%0.53649%0.486SS..Hα-helixtrans-66.9-39.7178.9-168173.1-57.7-1702.1112.8E18 K19 K20 F25 N26E18-R22 WeakPolarHBondContact O-CB 3.24Å; E18-R22 PolarHBondContact O-N 3.14Å; E18-R22 IonicContact OE1-CZ 3.47Å; E18-R22 IonicContact OE1-NE 2.75Å; E18-R22 IonicContact OE1-NH2 3.36Å; E18-R22 PolarHBondContact OE1-NH2 3.08Å; K19-R22 PolarHBondContact O-N 3.04Å; K19-R22 VanDerWaalsContact O-N 3.15Å; K20-R22 VanDerWaalsContact C-N 3.35Å; K20-R22 PolarHBondContact O-N 3.13Å; R22-F25 PolarHBondContact O-N 2.78Å; R22-N26 PolarHBondContact O-N 2.84Å; R22-N26 PolarHBondContact O-ND2 3.45Å; R22-N26 VanDerWaalsContact O-ND2 3.16Å; R22-N26 PolarHBondContact O-OD1 2.78Å
23D96.8Very high94.8Very high63 Ų6399.2 Ų99.234%0.33747%0.468SS..Hα-helixtrans-68.5-42176.5-64.5-26000110.9K19 K20 N26 V27K19-D23 WeakPolarHBondContact CE-OD2 3.45Å; K19-D23 WeakPolarHBondContact CG-OD2 3.23Å; K19-D23 IonicContact NZ-OD1 3.21Å; K19-D23 PolarHBondContact NZ-OD1 2.65Å; K19-D23 IonicContact NZ-OD2 3.66Å; K19-D23 PolarHBondContact NZ-OD2 2.68Å; K19-D23 WeakPolarHBondContact O-CB 3.35Å; K19-D23 PolarHBondContact O-N 3.37Å; K20-D23 PolarHBondContact O-N 2.91Å; D23-N26 WeakPolarHBondContact O-CB 3.41Å; D23-N26 PolarHBondContact O-N 3.21Å; D23-V27 PolarHBondContact O-N 2.9Å; D23-V27 VanDerWaalsContact O-N 3.09Å
24Q96.9Very high94.5Very high105 Ų10599.7 Ų99.749%0.49147%0.471SS..Hα-helixtrans-59.4-45.7172.1-74.9176.3-51.800112.1K20 R21 N26 V27 L28K20-Q24 WeakPolarHBondContact O-CB 3.33Å; K20-Q24 WeakPolarHBondContact O-CG 3.5Å; K20-Q24 PolarHBondContact O-N 3.21Å; R21-Q24 PolarHBondContact O-N 3.29Å; Q24-N26 VanDerWaalsContact C-N 3.29Å; Q24-N26 PolarHBondContact O-N 3.12Å; Q24-V27 WeakPolarHBondContact O-CB 3.45Å; Q24-V27 PolarHBondContact O-N 3.29Å; Q24-V27 VanDerWaalsContact O-N 3.09Å; Q24-L28 PolarHBondContact O-N 2.78Å
25F97.1Very high94.2Very high94 Ų9497.3 Ų97.341%0.41247%0.469SS..Hα-helixtrans-59.7-38.1174.4179.9-91.5000112.3R21 R22 V27 L28 I29 K45R21-F25 WeakPolarHBondContact O-CB 3.49Å; R21-F25 PolarHBondContact O-N 3.07Å; R22-F25 PolarHBondContact O-N 2.78Å; F25-V27 VanDerWaalsContact C-N 3.31Å; F25-V27 PolarHBondContact O-N 2.74Å; F25-L28 PolarHBondContact O-N 3.27Å; F25-I29 HydrophobicContact CD1-CG1 4.05Å; F25-I29 HydrophobicContact CE1-CD1 4.24Å; F25-I29 HydrophobicContact CE1-CG1 3.61Å; F25-I29 HydrophobicContact CE2-CD1 4.23Å; F25-I29 HydrophobicContact CE2-CG1 4.16Å; F25-I29 HydrophobicContact CZ-CD1 3.81Å; F25-I29 HydrophobicContact CZ-CG1 3.68Å; F25-I29 VanDerWaalsContact O-CG1 3.31Å; F25-I29 WeakPolarHBondContact O-CG1 3.35Å; F25-I29 PolarHBondContact O-N 2.94Å; F25-K45 HydrophobicContact CE1-CD 4.12Å
26N95Very high93.6Very high62 Ų6293.5 Ų93.533%0.33245%0.449SS..Hα-helixtrans-64.8-33.2175.2-62.6-28.4000112.7R22 D23 Q24 K30 K45R22-N26 PolarHBondContact O-N 2.84Å; R22-N26 PolarHBondContact O-ND2 3.45Å; R22-N26 VanDerWaalsContact O-ND2 3.16Å; R22-N26 PolarHBondContact O-OD1 2.78Å; D23-N26 WeakPolarHBondContact O-CB 3.41Å; D23-N26 PolarHBondContact O-N 3.21Å; Q24-N26 VanDerWaalsContact C-N 3.29Å; Q24-N26 PolarHBondContact O-N 3.12Å; N26-K30 WeakPolarHBondContact O-CB 3.45Å; N26-K30 PolarHBondContact O-N 2.88Å; N26-K45 WeakPolarHBondContact OD1-CE 3.32Å; N26-K45 PolarHBondContact OD1-NZ 2.95Å
27V95.6Very high92.6Very high90 Ų9089.9 Ų89.955%0.54544%0.443SS..Hα-helixtrans-67.8-52.9174.9173.90000110.3D23 Q24 F25 I29 K30 E31D23-V27 PolarHBondContact O-N 2.9Å; D23-V27 VanDerWaalsContact O-N 3.09Å; Q24-V27 WeakPolarHBondContact O-CB 3.45Å; Q24-V27 PolarHBondContact O-N 3.29Å; Q24-V27 VanDerWaalsContact O-N 3.09Å; F25-V27 VanDerWaalsContact C-N 3.31Å; F25-V27 PolarHBondContact O-N 2.74Å; V27-I29 VanDerWaalsContact C-N 3.33Å; V27-I29 PolarHBondContact O-N 2.93Å; V27-K30 WeakPolarHBondContact O-CA 3.47Å; V27-K30 WeakPolarHBondContact O-CB 3.31Å; V27-K30 PolarHBondContact O-N 3.29Å; V27-E31 WeakPolarHBondContact O-CB 3.33Å; V27-E31 PolarHBondContact O-N 2.98Å
28L96Very high91.3Very high102 Ų10290.3 Ų90.353%0.53446%0.459SS..Hα-helixtrans-58.6-40.9-179.1-66.6170.9000112.7Q24 F25 K30 E31 L32Q24-L28 PolarHBondContact O-N 2.78Å; F25-L28 PolarHBondContact O-N 3.27Å; L28-K30 VanDerWaalsContact C-N 3.34Å; L28-K30 PolarHBondContact O-N 3.07Å; L28-E31 PolarHBondContact O-N 3.21Å; L28-L32 WeakPolarHBondContact O-CB 3.45Å; L28-L32 WeakPolarHBondContact O-CG 3.31Å; L28-L32 PolarHBondContact O-N 2.94Å
29I94.6Very high89.9Confident13 Ų1389.4 Ų89.47%0.06746%0.456CS..Hα-helixtrans-66.7-35.4175-64.9-68.5000111.8F25 V27 L32 S33 K45 V48 L49F25-I29 HydrophobicContact CD1-CG1 4.05Å; F25-I29 HydrophobicContact CE1-CD1 4.24Å; F25-I29 HydrophobicContact CE1-CG1 3.61Å; F25-I29 HydrophobicContact CE2-CD1 4.23Å; F25-I29 HydrophobicContact CE2-CG1 4.16Å; F25-I29 HydrophobicContact CZ-CD1 3.81Å; F25-I29 HydrophobicContact CZ-CG1 3.68Å; F25-I29 VanDerWaalsContact O-CG1 3.31Å; F25-I29 WeakPolarHBondContact O-CG1 3.35Å; F25-I29 PolarHBondContact O-N 2.94Å; V27-I29 VanDerWaalsContact C-N 3.33Å; V27-I29 PolarHBondContact O-N 2.93Å; I29-L32 HydrophobicContact CD1-CD1 4.48Å; I29-S33 VanDerWaalsContact O-CB 3.23Å; I29-S33 WeakPolarHBondContact O-CB 3.47Å; I29-S33 PolarHBondContact O-N 3.1Å; I29-K45 HydrophobicContact CG2-CB 4.39Å; I29-K45 HydrophobicContact CG2-CG 4.15Å; I29-V48 HydrophobicContact CG2-CB 4.19Å; I29-V48 HydrophobicContact CG2-CG1 4.07Å; I29-V48 HydrophobicContact CG2-CG2 4.44Å; I29-L49 HydrophobicContact CD1-CD1 4.09Å; I29-L49 HydrophobicContact CD1-CD2 3.67Å; I29-L49 HydrophobicContact CD1-CG 3.81Å
30K90.4Very high88.3Confident162 Ų16289.9 Ų89.970%0.70447%0.469SS*.Hα-helixtrans-67.3-41.1175.9-172-163.7171.6-155.60111.1N26 V27 L28 S33 S34N26-K30 WeakPolarHBondContact O-CB 3.45Å; N26-K30 PolarHBondContact O-N 2.88Å; V27-K30 WeakPolarHBondContact O-CA 3.47Å; V27-K30 WeakPolarHBondContact O-CB 3.31Å; V27-K30 PolarHBondContact O-N 3.29Å; L28-K30 VanDerWaalsContact C-N 3.34Å; L28-K30 PolarHBondContact O-N 3.07Å; K30-S33 WeakPolarHBondContact O-CB 3.23Å; K30-S33 PolarHBondContact O-N 3.39Å; K30-S34 PolarHBondContact O-N 3.35Å; K30-S34 PolarHBondContact O-OG 2.92Å
31E91.9Very high87.2Confident102 Ų10293.3 Ų93.348%0.47748%0.478SS..Hα-helixtrans-64.6-49.5178.8-174172.4-169.300111.8V27 L28 S33 S34 M35V27-E31 WeakPolarHBondContact O-CB 3.33Å; V27-E31 PolarHBondContact O-N 2.98Å; L28-E31 PolarHBondContact O-N 3.21Å; E31-S33 VanDerWaalsContact C-N 3.27Å; E31-S33 PolarHBondContact O-N 3.02Å; E31-S34 WeakPolarHBondContact CA-OG 3.31Å; E31-S34 PolarHBondContact O-N 2.9Å; E31-S34 VanDerWaalsContact O-N 3.09Å; E31-S34 PolarHBondContact O-OG 3.03Å; E31-M35 HydrophobicContact CG-CE 4.43Å; E31-M35 PolarHBondContact O-N 2.9Å
32L91.4Very high86.3Confident55 Ų5596.1 Ų96.129%0.28850%0.495SS..Hα-helixtrans-54.8-42.3168.7-74.3168.2000111.8L28 I29 S34 M35 L36 V48 V52L28-L32 WeakPolarHBondContact O-CB 3.45Å; L28-L32 WeakPolarHBondContact O-CG 3.31Å; L28-L32 PolarHBondContact O-N 2.94Å; I29-L32 HydrophobicContact CD1-CD1 4.48Å; L32-S34 VanDerWaalsContact C-N 3.28Å; L32-S34 PolarHBondContact O-N 3.08Å; L32-M35 HydrophobicContact CD2-CE 4.01Å; L32-M35 PolarHBondContact O-N 3.11Å; L32-L36 PolarHBondContact O-N 3.34Å; L32-V48 HydrophobicContact CB-CG1 4.21Å; L32-V52 HydrophobicContact CB-CG2 4.21Å; L32-V52 HydrophobicContact CD2-CG1 4.45Å; L32-V52 HydrophobicContact CD2-CG2 4.25Å
33S89.4Confident85.6Confident14 Ų1491.4 Ų91.410%0.09848%0.48CS..Hα-helixtrans-65.4-27.2178.3-170.50000113.6I29 K30 E31 N39I29-S33 VanDerWaalsContact O-CB 3.23Å; I29-S33 WeakPolarHBondContact O-CB 3.47Å; I29-S33 PolarHBondContact O-N 3.1Å; K30-S33 WeakPolarHBondContact O-CB 3.23Å; K30-S33 PolarHBondContact O-N 3.39Å; E31-S33 VanDerWaalsContact C-N 3.27Å; E31-S33 PolarHBondContact O-N 3.02Å; S33-N39 PolarHBondContact O-ND2 2.7Å; S33-N39 PolarHBondContact OG-ND2 2.95Å
34S86.5Confident85.4Confident90 Ų9092.5 Ų92.563%0.62949%0.485SS*.Hα-helixtrans-81.1-24.3173.534.20000114.3K30 E31 L32K30-S34 PolarHBondContact O-N 3.35Å; K30-S34 PolarHBondContact O-OG 2.92Å; E31-S34 WeakPolarHBondContact CA-OG 3.31Å; E31-S34 PolarHBondContact O-N 2.9Å; E31-S34 VanDerWaalsContact O-N 3.09Å; E31-S34 PolarHBondContact O-OG 3.03Å; L32-S34 VanDerWaalsContact C-N 3.28Å; L32-S34 PolarHBondContact O-N 3.08Å
35M86.9Confident85.2Confident133 Ų13391.8 Ų91.866%0.65548%0.481SS*.Hα-helixtrans-80.7-15175.8-66.8-174.4-70.900113.2E31 L32E31-M35 HydrophobicContact CG-CE 4.43Å; E31-M35 PolarHBondContact O-N 2.9Å; L32-M35 HydrophobicContact CD2-CE 4.01Å; L32-M35 PolarHBondContact O-N 3.11Å
36L84Confident85.1Confident15 Ų1591.4 Ų91.48%0.07949%0.486CS..SBendtrans-71.6128.4177.6-75.7173.2000112.1L32 V48 K51 V52 F55L32-L36 PolarHBondContact O-N 3.34Å; L36-V48 HydrophobicContact CD1-CG1 4.37Å; L36-K51 HydrophobicContact CD1-CB 3.62Å; L36-K51 HydrophobicContact CD1-CD 4.31Å; L36-K51 HydrophobicContact CD2-CB 4.05Å; L36-K51 HydrophobicContact CG-CB 4.49Å; L36-V52 HydrophobicContact CD1-CG2 4.14Å; L36-V52 HydrophobicContact CD2-CG2 3.96Å; L36-V52 HydrophobicContact CG-CG2 4.13Å; L36-F55 HydrophobicContact CD2-CB 4.31Å
37P74.3Confident84.9Confident94 Ų9490.8 Ų90.861%0.6149%0.485SS*.THydrogen-bonded Turntrans-63.9142.4-176.825.2-34.2000112.7N39 F55P37-N39 VanDerWaalsContact C-N 3.27Å; P37-N39 PolarHBondContact O-N 2.86Å; P37-F55 HydrophobicContact CG-CD2 4.27Å; P37-F55 HydrophobicContact CG-CE2 4.19Å
38G68.2Low84.8Confident78 Ų7886.6 Ų86.680%0.80446%0.459SS*.THydrogen-bonded Turntrans72.79.7176.600000115.5T40G38-T40 PolarHBondContact O-N 3.24Å
39N66.8Low84.7Confident48 Ų4885.1 Ų85.126%0.25745%0.452SS..  trans-79.4120.8-178.1-169.821.1000113.2S33 P37 R41S33-N39 PolarHBondContact O-ND2 2.7Å; S33-N39 PolarHBondContact OG-ND2 2.95Å; P37-N39 VanDerWaalsContact C-N 3.27Å; P37-N39 PolarHBondContact O-N 2.86Å; N39-R41 PolarHBondContact OD1-N 2.98Å; N39-R41 PolarHBondContact OD1-O 3.11Å
40T62.5Low84.6Confident134 Ų13489.9 Ų89.982%0.82247%0.473SS*.  trans-125.45.1177.654.40000113.4G38G38-T40 PolarHBondContact O-N 3.24Å
41R72.6Confident84.6Confident205 Ų20587.1 Ų87.177%0.77446%0.461SS*.SBendtrans-135.8156.9-174.6-66.1-170.6177.4-154.6-1.1111.9N39 M43N39-R41 PolarHBondContact OD1-N 2.98Å; N39-R41 PolarHBondContact OD1-O 3.11Å; R41-M43 PolarHBondContact O-N 3.3Å; R41-M43 VanDerWaalsContact O-N 3.13Å
42K77.8Confident84.6Confident217 Ų21783.4 Ų83.494%0.94345%0.446SS*.  trans-65.6113.2165.7-77.7-176.8177.6175.50108.8
43M83.9Confident84.7Confident43 Ų4385.1 Ų85.121%0.21245%0.454CS..  trans-88.2157.6166.6-67.9178.445.700109.9R41 T47 V48 K51R41-M43 PolarHBondContact O-N 3.3Å; R41-M43 VanDerWaalsContact O-N 3.13Å; M43-T47 HydrophobicContact CE-CG2 3.68Å; M43-T47 WeakPolarHBondContact CE-O 3.22Å; M43-V48 HydrophobicContact CB-CG2 3.65Å; M43-V48 HydrophobicContact CE-CG2 4.02Å; M43-K51 HydrophobicContact CE-CB 4.48Å; M43-K51 HydrophobicContact CE-CD 3.68Å; M43-K51 HydrophobicContact CE-CG 4.05Å; M43-K51 HydrophobicContact SD-CD 4.06Å; M43-K51 PolarHBondContact SD-NZ 2.91Å
44D91.4Very high84.6Confident86 Ų8686 Ų8646%0.4647%0.465SS..  trans-75.7167.7167.269-78.3000111.1T46 T47 V48D44-T46 VanDerWaalsContact C-N 3.33Å; D44-T46 PolarHBondContact O-N 3.1Å; D44-T46 WeakPolarHBondContact OD2-CA 3.08Å; D44-T46 WeakPolarHBondContact OD2-CB 3.25Å; D44-T46 PolarHBondContact OD2-N 3.47Å; D44-T47 WeakPolarHBondContact OD1-CB 3.19Å; D44-T47 PolarHBondContact OD1-OG1 2.75Å; D44-T47 PolarHBondContact OD2-N 3.19Å; D44-V48 VanDerWaalsContact O-CG2 3.29Å; D44-V48 WeakPolarHBondContact O-CG2 3.31Å; D44-V48 PolarHBondContact O-N 2.93Å; D44-V48 VanDerWaalsContact O-N 3.11Å
45K93.1Very high84.7Confident91 Ų9186.3 Ų86.340%0.39646%0.456SS..Hα-helixtrans-66.3-33.4-174.1-64.7174.3159.9-1700113.6F25 N26 I29 L49F25-K45 HydrophobicContact CE1-CD 4.12Å; N26-K45 WeakPolarHBondContact OD1-CE 3.32Å; N26-K45 PolarHBondContact OD1-NZ 2.95Å; I29-K45 HydrophobicContact CG2-CB 4.39Å; I29-K45 HydrophobicContact CG2-CG 4.15Å; K45-L49 WeakPolarHBondContact O-CG 3.42Å; K45-L49 PolarHBondContact O-N 3.15Å
46T94.8Very high84.7Confident85 Ų8584.4 Ų84.452%0.52145%0.448SS..Hα-helixtrans-74.2-51.2-176.4-49.90000108.6D44 V48 L49 E50D44-T46 VanDerWaalsContact C-N 3.33Å; D44-T46 PolarHBondContact O-N 3.1Å; D44-T46 WeakPolarHBondContact OD2-CA 3.08Å; D44-T46 WeakPolarHBondContact OD2-CB 3.25Å; D44-T46 PolarHBondContact OD2-N 3.47Å; T46-V48 VanDerWaalsContact C-N 3.27Å; T46-V48 PolarHBondContact O-N 2.81Å; T46-L49 PolarHBondContact O-N 2.91Å; T46-E50 HydrophobicContact CG2-CG 4.36Å; T46-E50 WeakPolarHBondContact O-CG 3.31Å; T46-E50 PolarHBondContact O-N 2.96Å
47T91.6Very high84.9Confident50 Ų5089.7 Ų89.731%0.30747%0.472SS..Hα-helixtrans-68.9-22.4-180-50.90000113.2M43 D44 E50 K51M43-T47 HydrophobicContact CE-CG2 3.68Å; M43-T47 WeakPolarHBondContact CE-O 3.22Å; D44-T47 WeakPolarHBondContact OD1-CB 3.19Å; D44-T47 PolarHBondContact OD1-OG1 2.75Å; D44-T47 PolarHBondContact OD2-N 3.19Å; T47-E50 VanDerWaalsContact CA-OE2 3.31Å; T47-E50 WeakPolarHBondContact CA-OE2 3.44Å; T47-E50 PolarHBondContact OG1-OE2 2.86Å; T47-K51 WeakPolarHBondContact O-CB 3.09Å; T47-K51 WeakPolarHBondContact O-CG 3.25Å; T47-K51 PolarHBondContact O-N 2.78Å
48V92Very high85.2Confident2 Ų289.7 Ų89.71%0.01246%0.462CS..Hα-helixtrans-63.9-50.2165.6171.10000110.9I29 L32 L36 M43 D44 T46 K51 V52I29-V48 HydrophobicContact CG2-CB 4.19Å; I29-V48 HydrophobicContact CG2-CG1 4.07Å; I29-V48 HydrophobicContact CG2-CG2 4.44Å; L32-V48 HydrophobicContact CB-CG1 4.21Å; L36-V48 HydrophobicContact CD1-CG1 4.37Å; M43-V48 HydrophobicContact CB-CG2 3.65Å; M43-V48 HydrophobicContact CE-CG2 4.02Å; D44-V48 VanDerWaalsContact O-CG2 3.29Å; D44-V48 WeakPolarHBondContact O-CG2 3.31Å; D44-V48 PolarHBondContact O-N 2.93Å; D44-V48 VanDerWaalsContact O-N 3.11Å; T46-V48 VanDerWaalsContact C-N 3.27Å; T46-V48 PolarHBondContact O-N 2.81Å; V48-K51 PolarHBondContact O-N 2.86Å; V48-V52 HydrophobicContact CG1-CG2 4.46Å; V48-V52 WeakPolarHBondContact O-CG2 3.25Å; V48-V52 PolarHBondContact O-N 2.97Å
49L95Very high85.6Confident71 Ų7190.7 Ų90.737%0.37245%0.446SS..Hα-helixtrans-64.8-41.6179.6-70170.8000111.9I29 K45 T46 K51 V52 I53I29-L49 HydrophobicContact CD1-CD1 4.09Å; I29-L49 HydrophobicContact CD1-CD2 3.67Å; I29-L49 HydrophobicContact CD1-CG 3.81Å; K45-L49 WeakPolarHBondContact O-CG 3.42Å; K45-L49 PolarHBondContact O-N 3.15Å; T46-L49 PolarHBondContact O-N 2.91Å; L49-K51 PolarHBondContact O-N 2.85Å; L49-V52 PolarHBondContact O-N 2.84Å; L49-I53 WeakPolarHBondContact O-CB 3.34Å; L49-I53 WeakPolarHBondContact O-CD1 3.32Å; L49-I53 VanDerWaalsContact O-CG1 3.25Å; L49-I53 WeakPolarHBondContact O-CG1 3.35Å; L49-I53 PolarHBondContact O-N 2.81Å
50E93.2Very high86Confident112 Ų11293.4 Ų93.452%0.52346%0.461SS..Hα-helixtrans-59.9-43.4174.8-67.9167160.100111.7T46 T47 I53 G54T46-E50 HydrophobicContact CG2-CG 4.36Å; T46-E50 WeakPolarHBondContact O-CG 3.31Å; T46-E50 PolarHBondContact O-N 2.96Å; T47-E50 VanDerWaalsContact CA-OE2 3.31Å; T47-E50 WeakPolarHBondContact CA-OE2 3.44Å; T47-E50 PolarHBondContact OG1-OE2 2.86Å; E50-I53 PolarHBondContact O-N 2.93Å; E50-G54 PolarHBondContact O-N 2.84Å
51K89.6Confident86.6Confident104 Ų10493.8 Ų93.845%0.45245%0.453SS..Hα-helixtrans-68.5-35.9174.8-78.4-161.1-167.1171.80113.3L36 M43 T47 V48 L49 F55L36-K51 HydrophobicContact CD1-CB 3.62Å; L36-K51 HydrophobicContact CD1-CD 4.31Å; L36-K51 HydrophobicContact CD2-CB 4.05Å; L36-K51 HydrophobicContact CG-CB 4.49Å; M43-K51 HydrophobicContact CE-CB 4.48Å; M43-K51 HydrophobicContact CE-CD 3.68Å; M43-K51 HydrophobicContact CE-CG 4.05Å; M43-K51 HydrophobicContact SD-CD 4.06Å; M43-K51 PolarHBondContact SD-NZ 2.91Å; T47-K51 WeakPolarHBondContact O-CB 3.09Å; T47-K51 WeakPolarHBondContact O-CG 3.25Å; T47-K51 PolarHBondContact O-N 2.78Å; V48-K51 PolarHBondContact O-N 2.86Å; L49-K51 PolarHBondContact O-N 2.85Å; K51-F55 WeakPolarHBondContact O-CB 3.12Å; K51-F55 PolarHBondContact O-N 3.48Å
52V92.2Very high86.4Confident24 Ų2486.2 Ų86.215%0.14543%0.429CS..Hα-helixtrans-65.6-44.6174.3170.10000110.4L32 L36 V48 L49 F55 L56L32-V52 HydrophobicContact CB-CG2 4.21Å; L32-V52 HydrophobicContact CD2-CG1 4.45Å; L32-V52 HydrophobicContact CD2-CG2 4.25Å; L36-V52 HydrophobicContact CD1-CG2 4.14Å; L36-V52 HydrophobicContact CD2-CG2 3.96Å; L36-V52 HydrophobicContact CG-CG2 4.13Å; V48-V52 HydrophobicContact CG1-CG2 4.46Å; V48-V52 WeakPolarHBondContact O-CG2 3.25Å; V48-V52 PolarHBondContact O-N 2.97Å; L49-V52 PolarHBondContact O-N 2.84Å; V52-F55 PolarHBondContact O-N 2.9Å; V52-L56 HydrophobicContact CG1-CD1 3.85Å; V52-L56 HydrophobicContact CG1-CG 4.41Å; V52-L56 WeakPolarHBondContact O-CB 3.33Å; V52-L56 VanDerWaalsContact O-CG 3.3Å; V52-L56 WeakPolarHBondContact O-CG 3.37Å; V52-L56 PolarHBondContact O-N 3.03Å
53I92.8Very high85.6Confident91 Ų9177.7 Ų77.747%0.46740%0.397SS..Hα-helixtrans-61.6-49.8176.5-69.1163.5000110.4L49 E50 F55 L56 Q57L49-I53 WeakPolarHBondContact O-CB 3.34Å; L49-I53 WeakPolarHBondContact O-CD1 3.32Å; L49-I53 VanDerWaalsContact O-CG1 3.25Å; L49-I53 WeakPolarHBondContact O-CG1 3.35Å; L49-I53 PolarHBondContact O-N 2.81Å; E50-I53 PolarHBondContact O-N 2.93Å; I53-F55 VanDerWaalsContact C-N 3.32Å; I53-F55 PolarHBondContact O-N 2.77Å; I53-L56 PolarHBondContact O-N 3.42Å; I53-Q57 HydrophobicContact CG2-CG 4.33Å; I53-Q57 WeakPolarHBondContact O-CB 3.37Å; I53-Q57 VanDerWaalsContact O-CG 3.27Å; I53-Q57 WeakPolarHBondContact O-CG 3.34Å; I53-Q57 PolarHBondContact O-N 3.17Å
54G88.2Confident84.5Confident32 Ų3277.8 Ų77.833%0.3341%0.405SS..Hα-helixtrans-64.2-33.6177.700000113.6E50 K58E50-G54 PolarHBondContact O-N 2.84Å; G54-K58 WeakPolarHBondContact O-CB 3.4Å; G54-K58 PolarHBondContact O-N 3.01Å
55F87.6Confident82.9Confident97 Ų9779.4 Ų79.443%0.42541%0.41SS..Hα-helixtrans-66.7-47.7173.1176.8-93000111.6L36 P37 K51 V52 I53 K58 H59L36-F55 HydrophobicContact CD2-CB 4.31Å; P37-F55 HydrophobicContact CG-CD2 4.27Å; P37-F55 HydrophobicContact CG-CE2 4.19Å; K51-F55 WeakPolarHBondContact O-CB 3.12Å; K51-F55 PolarHBondContact O-N 3.48Å; V52-F55 PolarHBondContact O-N 2.9Å; I53-F55 VanDerWaalsContact C-N 3.32Å; I53-F55 PolarHBondContact O-N 2.77Å; F55-K58 PolarHBondContact O-N 3.13Å; F55-H59 VanDerWaalsContact O-CB 3.3Å; F55-H59 WeakPolarHBondContact O-CB 3.5Å; F55-H59 PolarHBondContact O-N 2.99Å
56L88.1Confident81.1Confident93 Ų9378.9 Ų78.949%0.48741%0.414SS..Hα-helixtrans-67.3-38.7178.7-69.2171.6000112.2V52 I53 H59 N60V52-L56 HydrophobicContact CG1-CD1 3.85Å; V52-L56 HydrophobicContact CG1-CG 4.41Å; V52-L56 WeakPolarHBondContact O-CB 3.33Å; V52-L56 VanDerWaalsContact O-CG 3.3Å; V52-L56 WeakPolarHBondContact O-CG 3.37Å; V52-L56 PolarHBondContact O-N 3.03Å; I53-L56 PolarHBondContact O-N 3.42Å; L56-H59 PolarHBondContact O-N 2.91Å; L56-N60 WeakPolarHBondContact O-CB 3.3Å; L56-N60 VanDerWaalsContact O-CG 3.22Å; L56-N60 PolarHBondContact O-N 3.1Å; L56-N60 PolarHBondContact O-OD1 3.46Å
57Q86.4Confident78.9Confident127 Ų12778.7 Ų78.759%0.59341%0.407SS*.Hα-helixtrans-61.4-50.4173.3-75.9172.5-2600111I53 H59 N60 E61I53-Q57 HydrophobicContact CG2-CG 4.33Å; I53-Q57 WeakPolarHBondContact O-CB 3.37Å; I53-Q57 VanDerWaalsContact O-CG 3.27Å; I53-Q57 WeakPolarHBondContact O-CG 3.34Å; I53-Q57 PolarHBondContact O-N 3.17Å; Q57-H59 VanDerWaalsContact C-N 3.32Å; Q57-H59 PolarHBondContact O-N 3.11Å; Q57-N60 PolarHBondContact O-N 3.15Å; Q57-E61 VanDerWaalsContact O-CB 3.32Å; Q57-E61 WeakPolarHBondContact O-CB 3.44Å; Q57-E61 PolarHBondContact O-N 2.78Å
58K82.3Confident76.9Confident94 Ų9482.2 Ų82.241%0.40942%0.423SS..Hα-helixtrans-62.9-36.8176.9-174.2173.4-178.3176.20112.3G54 F55 V62 L160G54-K58 WeakPolarHBondContact O-CB 3.4Å; G54-K58 PolarHBondContact O-N 3.01Å; F55-K58 PolarHBondContact O-N 3.13Å; K58-V62 WeakPolarHBondContact O-CB 3.25Å; K58-V62 WeakPolarHBondContact O-CG2 3.19Å; K58-V62 PolarHBondContact O-N 3.26Å; K58-V62 VanDerWaalsContact O-N 3.1Å; K58-L160 HydrophobicContact CD-CD1 4.29Å; K58-L160 HydrophobicContact CG-CD1 4.08Å
59H76.3Confident74.8Confident98 Ų9887 Ų8745%0.45446%0.455SS..Hα-helixtrans-64.1-49.1175-172.8-64.6000111.1F55 L56 Q57 E61 V62 S63F55-H59 VanDerWaalsContact O-CB 3.3Å; F55-H59 WeakPolarHBondContact O-CB 3.5Å; F55-H59 PolarHBondContact O-N 2.99Å; L56-H59 PolarHBondContact O-N 2.91Å; Q57-H59 VanDerWaalsContact C-N 3.32Å; Q57-H59 PolarHBondContact O-N 3.11Å; H59-E61 PolarHBondContact O-N 3.46Å; H59-V62 PolarHBondContact O-N 2.88Å; H59-S63 PolarHBondContact ND1-OG 3.5Å; H59-S63 PolarHBondContact O-N 3.09Å; H59-S63 PolarHBondContact O-OG 3.24Å
60N75.3Confident72.6Confident106 Ų10689.3 Ų89.357%0.56747%0.468SS*.Hα-helixtrans-66.6-37.3-179.5-68.97.5000112.3L56 Q57 V62 A64L56-N60 WeakPolarHBondContact O-CB 3.3Å; L56-N60 VanDerWaalsContact O-CG 3.22Å; L56-N60 PolarHBondContact O-N 3.1Å; L56-N60 PolarHBondContact O-OD1 3.46Å; Q57-N60 PolarHBondContact O-N 3.15Å; N60-V62 VanDerWaalsContact C-N 3.28Å; N60-V62 PolarHBondContact O-N 3.45Å; N60-A64 VanDerWaalsContact O-CB 3.24Å; N60-A64 WeakPolarHBondContact O-CB 3.42Å; N60-A64 PolarHBondContact O-N 2.62Å
61E75.2Confident70.4Confident141 Ų14190.9 Ų90.966%0.65948%0.479SS*.Hα-helixtrans-61.5-37.6173.2-176174.3-147.100111.5Q57 H59 Q65Q57-E61 VanDerWaalsContact O-CB 3.32Å; Q57-E61 WeakPolarHBondContact O-CB 3.44Å; Q57-E61 PolarHBondContact O-N 2.78Å; H59-E61 PolarHBondContact O-N 3.46Å; E61-Q65 VanDerWaalsContact O-CB 3.23Å; E61-Q65 WeakPolarHBondContact O-CB 3.49Å; E61-Q65 PolarHBondContact O-N 2.99Å
62V67.3Low68.4Low46 Ų4692.9 Ų92.928%0.27949%0.49SS..Hα-helixtrans-73.2-46.8176.9170.70000112.1K58 H59 N60 A64 Q65 T66 L160K58-V62 WeakPolarHBondContact O-CB 3.25Å; K58-V62 WeakPolarHBondContact O-CG2 3.19Å; K58-V62 PolarHBondContact O-N 3.26Å; K58-V62 VanDerWaalsContact O-N 3.1Å; H59-V62 PolarHBondContact O-N 2.88Å; N60-V62 VanDerWaalsContact C-N 3.28Å; N60-V62 PolarHBondContact O-N 3.45Å; V62-A64 VanDerWaalsContact C-N 3.34Å; V62-A64 PolarHBondContact O-N 2.74Å; V62-Q65 PolarHBondContact O-N 2.97Å; V62-Q65 VanDerWaalsContact O-N 3.11Å; V62-T66 PolarHBondContact O-N 3.45Å; V62-T66 PolarHBondContact O-OG1 3.36Å; V62-L160 HydrophobicContact CB-CD2 4.26Å; V62-L160 HydrophobicContact CG1-CD2 3.86Å; V62-L160 HydrophobicContact CG2-CD1 3.26Å; V62-L160 HydrophobicContact CG2-CD2 3.34Å; V62-L160 HydrophobicContact CG2-CG 3.93Å
63S61Low66.7Low39 Ų3997.6 Ų97.627%0.27351%0.51SS..Hα-helixtrans-54.9-51.9173.8-62.10000110.4H59 Q65 T66 E67H59-S63 PolarHBondContact ND1-OG 3.5Å; H59-S63 PolarHBondContact O-N 3.09Å; H59-S63 PolarHBondContact O-OG 3.24Å; S63-Q65 VanDerWaalsContact C-N 3.27Å; S63-Q65 PolarHBondContact O-N 3.3Å; S63-T66 PolarHBondContact O-N 2.61Å; S63-T66 VanDerWaalsContact O-N 3.09Å; S63-E67 WeakPolarHBondContact CB-OE1 3.29Å; S63-E67 WeakPolarHBondContact O-CB 3.14Å; S63-E67 VanDerWaalsContact O-CG 3.23Å; S63-E67 WeakPolarHBondContact O-CG 3.41Å; S63-E67 PolarHBondContact O-N 3.02Å
64A60.9Low65.6Low45 Ų45101 Ų10137%0.37253%0.529SS..Hα-helixtrans-60.3-33176.700000113.3N60 V62 I68N60-A64 VanDerWaalsContact O-CB 3.24Å; N60-A64 WeakPolarHBondContact O-CB 3.42Å; N60-A64 PolarHBondContact O-N 2.62Å; V62-A64 VanDerWaalsContact C-N 3.34Å; V62-A64 PolarHBondContact O-N 2.74Å; A64-I68 WeakPolarHBondContact O-CD1 3.36Å; A64-I68 VanDerWaalsContact O-CG1 3.31Å; A64-I68 WeakPolarHBondContact O-CG1 3.37Å; A64-I68 PolarHBondContact O-N 2.89Å
65Q58Low65Low120 Ų120107.8 Ų107.856%0.56155%0.545SS*.Hα-helixtrans-75.3-28.7177.4-171.256.789.100113E61 V62 S63E61-Q65 VanDerWaalsContact O-CB 3.23Å; E61-Q65 WeakPolarHBondContact O-CB 3.49Å; E61-Q65 PolarHBondContact O-N 2.99Å; V62-Q65 PolarHBondContact O-N 2.97Å; V62-Q65 VanDerWaalsContact O-N 3.11Å; S63-Q65 VanDerWaalsContact C-N 3.27Å; S63-Q65 PolarHBondContact O-N 3.3Å
66T55.3Low65Low80 Ų80105.7 Ų105.749%0.49154%0.536SS..Hα-helixtrans-75.3-40.4169.8-59.70000111.5V62 S63 I68 C69 D70V62-T66 PolarHBondContact O-N 3.45Å; V62-T66 PolarHBondContact O-OG1 3.36Å; S63-T66 PolarHBondContact O-N 2.61Å; S63-T66 VanDerWaalsContact O-N 3.09Å; T66-I68 PolarHBondContact O-N 3Å; T66-I68 VanDerWaalsContact O-N 3.11Å; T66-C69 WeakPolarHBondContact O-CB 3.47Å; T66-C69 PolarHBondContact O-N 3.18Å; T66-D70 PolarHBondContact O-N 3.47Å; T66-D70 VanDerWaalsContact O-N 3.08Å
67E47.8Very low65Low80 Ų80103.7 Ų103.737%0.37453%0.528SS..THydrogen-bonded Turntrans-63.1-12.2175.5-70.1163.5-13100114S63 D70 Q72S63-E67 WeakPolarHBondContact CB-OE1 3.29Å; S63-E67 WeakPolarHBondContact O-CB 3.14Å; S63-E67 VanDerWaalsContact O-CG 3.23Å; S63-E67 WeakPolarHBondContact O-CG 3.41Å; S63-E67 PolarHBondContact O-N 3.02Å; E67-D70 CarbonylContact C-O 3.51Å; E67-D70 VanDerWaalsContact O-O 3.12Å; E67-Q72 HydrophobicContact CB-CG 4.28Å; E67-Q72 HydrophobicContact CG-CG 4.33Å; E67-Q72 PolarHBondContact OE2-NE2 3.45Å
68I50.3Low65Low125 Ų125103.5 Ų103.564%0.64154%0.541SS*.THydrogen-bonded Turntrans-82-23171-73.4164.6000111.9A64 T66A64-I68 WeakPolarHBondContact O-CD1 3.36Å; A64-I68 VanDerWaalsContact O-CG1 3.31Å; A64-I68 WeakPolarHBondContact O-CG1 3.37Å; A64-I68 PolarHBondContact O-N 2.89Å; T66-I68 PolarHBondContact O-N 3Å; T66-I68 VanDerWaalsContact O-N 3.11Å
69C48.3Very low65.4Low102 Ų102106.7 Ų106.769%0.68956%0.555SS**THydrogen-bonded Turntrans-89.5-48.4174.3-650000111.2T66T66-C69 WeakPolarHBondContact O-CB 3.47Å; T66-C69 PolarHBondContact O-N 3.18Å
70D47.3Very low66.1Low119 Ų119103.5 Ų103.564%0.63654%0.541SS*.THydrogen-bonded Turntrans-99.7103.7175.5-71.1-51.5000110.1T66 E67 Q72T66-D70 PolarHBondContact O-N 3.47Å; T66-D70 VanDerWaalsContact O-N 3.08Å; E67-D70 CarbonylContact C-O 3.51Å; E67-D70 VanDerWaalsContact O-O 3.12Å; D70-Q72 PolarHBondContact O-N 3.09Å
71I48.6Very low66.8Low146 Ų146100.9 Ų100.975%0.74953%0.531SS*.THydrogen-bonded Turntrans-51.5121.4-178.1-60.6172.1000110.2Q73I71-Q73 PolarHBondContact O-N 2.94Å
72Q47.3Very low67.5Low146 Ų14699.7 Ų99.768%0.68253%0.529SS*.  trans-43.5110.4179.8-78.6-172.8-14.400112.9E67 D70E67-Q72 HydrophobicContact CB-CG 4.28Å; E67-Q72 HydrophobicContact CG-CG 4.33Å; E67-Q72 PolarHBondContact OE2-NE2 3.45Å; D70-Q72 PolarHBondContact O-N 3.09Å
73Q56.6Low68.5Low123 Ų123104.2 Ų104.258%0.57555%0.548SS*.  trans-122132.1149-60-168.333.500106.9I71 W75I71-Q73 PolarHBondContact O-N 2.94Å; Q73-W75 HydrophobicContact CB-CD2 3.98Å; Q73-W75 HydrophobicContact CB-CE3 4.43Å; Q73-W75 HydrophobicContact CB-CG 4.31Å; Q73-W75 HydrophobicContact CB-CZ2 4.19Å; Q73-W75 HydrophobicContact CG-CZ2 4.3Å; Q73-W75 PolarHBondContact O-N 2.89Å
74D69Low69.9Low162 Ų162107.4 Ų107.487%0.86656%0.558SS**  trans-70.774.6165.6-106.2-37000107.7K76D74-K76 PolarHBondContact O-N 3.21Å
75W76Confident71.3Confident175 Ų175107.2 Ų107.266%0.66355%0.549SS*.  trans-55.4-27.3-173.2-67.5106.5000112.8Q73 P77 F85Q73-W75 HydrophobicContact CB-CD2 3.98Å; Q73-W75 HydrophobicContact CB-CE3 4.43Å; Q73-W75 HydrophobicContact CB-CG 4.31Å; Q73-W75 HydrophobicContact CB-CZ2 4.19Å; Q73-W75 HydrophobicContact CG-CZ2 4.3Å; Q73-W75 PolarHBondContact O-N 2.89Å; W75-P77 WeakPolarHBondContact O-CD 3.3Å; W75-F85 HydrophobicContact CB-CZ 4.13Å; W75-F85 WeakPolarHBondContact O-CE2 3.43Å
76K88.1Confident72.9Confident53 Ų53103.9 Ų103.923%0.2354%0.537CS..SBendtrans-104.3107.6174.3-170.8-167.475.961.20111.2D74 L80 N82 F85D74-K76 PolarHBondContact O-N 3.21Å; K76-L80 HydrophobicContact CG-CB 4.32Å; K76-L80 PolarHBondContact NZ-O 3.3Å; K76-N82 VanDerWaalsContact CE-OD1 3.25Å; K76-N82 WeakPolarHBondContact CE-OD1 3.48Å; K76-F85 HydrophobicContact CB-CD1 3.88Å; K76-F85 HydrophobicContact CB-CD2 3.89Å; K76-F85 HydrophobicContact CB-CE1 3.91Å; K76-F85 HydrophobicContact CB-CE2 3.93Å; K76-F85 HydrophobicContact CB-CG 3.86Å; K76-F85 HydrophobicContact CB-CZ 3.93Å; K76-F85 HydrophobicContact CD-CB 3.75Å; K76-F85 HydrophobicContact CD-CD1 4.02Å; K76-F85 HydrophobicContact CD-CG 3.89Å; K76-F85 HydrophobicContact CG-CB 3.64Å; K76-F85 HydrophobicContact CG-CD1 3.83Å; K76-F85 HydrophobicContact CG-CD2 3.69Å; K76-F85 HydrophobicContact CG-CE1 4.37Å; K76-F85 HydrophobicContact CG-CE2 4.25Å; K76-F85 HydrophobicContact CG-CG 3.43Å; K76-F85 VanDerWaalsContact CG-CG 3.43Å
77P87.6Confident74.5Confident50 Ų50104.2 Ų104.233%0.32553%0.533SS..  trans-49.8148.2168.5-28.234.7000113.6W75 F79 L80W75-P77 WeakPolarHBondContact O-CD 3.3Å; P77-F79 HydrophobicContact CB-CD1 3.57Å; P77-F79 HydrophobicContact CB-CE1 3.32Å; P77-F79 HydrophobicContact CB-CG 4.34Å; P77-F79 HydrophobicContact CB-CZ 3.92Å; P77-F79 HydrophobicContact CG-CE1 3.96Å; P77-F79 HydrophobicContact CG-CZ 4.23Å; P77-F79 PolarHBondContact O-N 3.49Å; P77-L80 PolarHBondContact O-N 2.89Å
78S87.3Confident76.6Confident124 Ų124105 Ų10587%0.86754%0.539SS*.THydrogen-bonded Turntrans-69.7-14.9-178.456.80000114.5
79F90.5Very high78.6Confident161 Ų161102.4 Ų102.471%0.70653%0.525SS*.THydrogen-bonded Turntrans-84.4-18.7175.569.8-99.5000113.8P77P77-F79 HydrophobicContact CB-CD1 3.57Å; P77-F79 HydrophobicContact CB-CE1 3.32Å; P77-F79 HydrophobicContact CB-CG 4.34Å; P77-F79 HydrophobicContact CB-CZ 3.92Å; P77-F79 HydrophobicContact CG-CE1 3.96Å; P77-F79 HydrophobicContact CG-CZ 4.23Å; P77-F79 PolarHBondContact O-N 3.49Å
80L90.6Very high80.7Confident30 Ų3098.1 Ų98.116%0.15750%0.495CS..SBendtrans-86.1135.3172.8-65.5-179.3000109.9K76 P77 E84 F85 L88K76-L80 HydrophobicContact CG-CB 4.32Å; K76-L80 PolarHBondContact NZ-O 3.3Å; P77-L80 PolarHBondContact O-N 2.89Å; L80-E84 HydrophobicContact CD2-CB 4.22Å; L80-F85 HydrophobicContact CB-CB 4.43Å; L80-F85 HydrophobicContact CD1-CB 4.38Å; L80-F85 HydrophobicContact CD1-CD2 4.2Å; L80-L88 HydrophobicContact CD1-CD2 4.45Å
81S90.4Very high82.7Confident51 Ų5196.1 Ų96.136%0.35748%0.482SS..  trans-64.2167.7161.469.60000111E83 E84 F85S81-E83 PolarHBondContact O-N 3Å; S81-E83 PolarHBondContact OG-N 3.42Å; S81-E84 WeakPolarHBondContact CA-OE2 3.42Å; S81-E84 WeakPolarHBondContact CB-OE2 3.4Å; S81-E84 PolarHBondContact N-OE2 2.92Å; S81-E84 WeakPolarHBondContact OG-CG 3.23Å; S81-E84 PolarHBondContact OG-N 2.84Å; S81-E84 PolarHBondContact OG-OE2 3.42Å; S81-F85 WeakPolarHBondContact O-CB 3.24Å; S81-F85 PolarHBondContact O-N 3.26Å
82N89.2Confident84.7Confident117 Ų11792.9 Ų92.963%0.62648%0.477SS*.Hα-helixtrans-66.8-26.8172.8-67.5-5000111.7K76 T86K76-N82 VanDerWaalsContact CE-OD1 3.25Å; K76-N82 WeakPolarHBondContact CE-OD1 3.48Å; N82-T86 VanDerWaalsContact O-CB 3.25Å; N82-T86 WeakPolarHBondContact O-CB 3.46Å; N82-T86 PolarHBondContact O-N 3.42Å; N82-T86 PolarHBondContact O-OG1 2.82Å
83E89.1Confident86.8Confident141 Ų14188.2 Ų88.266%0.65946%0.457SS*.Hα-helixtrans-72.3-56.7-178.9-160.260.1-130.400110.8S81 F85 T86 Q87S81-E83 PolarHBondContact O-N 3Å; S81-E83 PolarHBondContact OG-N 3.42Å; E83-F85 PolarHBondContact O-N 3.41Å; E83-T86 PolarHBondContact O-N 2.89Å; E83-Q87 PolarHBondContact O-N 2.91Å
84E89.6Confident88.5Confident105 Ų10583.4 Ų83.449%0.49144%0.435SS..Hα-helixtrans-54.7-40.2176.9-66.1157.7113.800111.7L80 S81 L88L80-E84 HydrophobicContact CD2-CB 4.22Å; S81-E84 WeakPolarHBondContact CA-OE2 3.42Å; S81-E84 WeakPolarHBondContact CB-OE2 3.4Å; S81-E84 PolarHBondContact N-OE2 2.92Å; S81-E84 WeakPolarHBondContact OG-CG 3.23Å; S81-E84 PolarHBondContact OG-N 2.84Å; S81-E84 PolarHBondContact OG-OE2 3.42Å; E84-L88 WeakPolarHBondContact O-CB 3.27Å; E84-L88 PolarHBondContact O-N 3.35Å
85F91.1Very high89.7Confident42 Ų4275.7 Ų75.718%0.18439%0.394CS..Hα-helixtrans-70.8-38.7176.9-178.8-106.7000113.2W75 K76 L80 S81 E83 M89W75-F85 HydrophobicContact CB-CZ 4.13Å; W75-F85 WeakPolarHBondContact O-CE2 3.43Å; K76-F85 HydrophobicContact CB-CD1 3.88Å; K76-F85 HydrophobicContact CB-CD2 3.89Å; K76-F85 HydrophobicContact CB-CE1 3.91Å; K76-F85 HydrophobicContact CB-CE2 3.93Å; K76-F85 HydrophobicContact CB-CG 3.86Å; K76-F85 HydrophobicContact CB-CZ 3.93Å; K76-F85 HydrophobicContact CD-CB 3.75Å; K76-F85 HydrophobicContact CD-CD1 4.02Å; K76-F85 HydrophobicContact CD-CG 3.89Å; K76-F85 HydrophobicContact CG-CB 3.64Å; K76-F85 HydrophobicContact CG-CD1 3.83Å; K76-F85 HydrophobicContact CG-CD2 3.69Å; K76-F85 HydrophobicContact CG-CE1 4.37Å; K76-F85 HydrophobicContact CG-CE2 4.25Å; K76-F85 HydrophobicContact CG-CG 3.43Å; K76-F85 VanDerWaalsContact CG-CG 3.43Å; L80-F85 HydrophobicContact CB-CB 4.43Å; L80-F85 HydrophobicContact CD1-CB 4.38Å; L80-F85 HydrophobicContact CD1-CD2 4.2Å; S81-F85 WeakPolarHBondContact O-CB 3.24Å; S81-F85 PolarHBondContact O-N 3.26Å; E83-F85 PolarHBondContact O-N 3.41Å; F85-M89 HydrophobicContact CE1-CE 4.11Å; F85-M89 HydrophobicContact CE2-CE 3.91Å; F85-M89 HydrophobicContact CZ-CE 3.44Å; F85-M89 VanDerWaalsContact CZ-CE 3.44Å; F85-M89 WeakPolarHBondContact O-CB 3.44Å; F85-M89 PolarHBondContact O-N 2.85Å
86T91.1Very high90.6Very high50 Ų5067.4 Ų67.431%0.30736%0.362SS..Hα-helixtrans-66.8-44.5177.3-600000110.2N82 E83 M89 L90 I97N82-T86 VanDerWaalsContact O-CB 3.25Å; N82-T86 WeakPolarHBondContact O-CB 3.46Å; N82-T86 PolarHBondContact O-N 3.42Å; N82-T86 PolarHBondContact O-OG1 2.82Å; E83-T86 PolarHBondContact O-N 2.89Å; T86-M89 PolarHBondContact O-N 3.41Å; T86-L90 HydrophobicContact CG2-CD1 3.9Å; T86-L90 HydrophobicContact CG2-CG 4.29Å; T86-L90 WeakPolarHBondContact O-CB 3.41Å; T86-L90 VanDerWaalsContact O-CG 3.27Å; T86-L90 WeakPolarHBondContact O-CG 3.35Å; T86-L90 PolarHBondContact O-N 2.93Å; T86-I97 HydrophobicContact CG2-CD1 4.15Å
87Q89.6Confident91Very high87 Ų8766.9 Ų66.941%0.40736%0.362SS..Hα-helixtrans-61-48.6175.6-176.865.6-3.500111.7E83 M89 L90 E91E83-Q87 PolarHBondContact O-N 2.91Å; Q87-M89 VanDerWaalsContact C-N 3.32Å; Q87-M89 PolarHBondContact O-N 3.3Å; Q87-L90 PolarHBondContact O-N 2.95Å; Q87-E91 WeakPolarHBondContact O-CB 3.08Å; Q87-E91 PolarHBondContact O-N 3.33Å
88L91.3Very high91.5Very high96 Ų9664.6 Ų64.650%0.50335%0.347SS..Hα-helixtrans-60.1-40.2176.2178.162.9000112.4L80 E84 A92L80-L88 HydrophobicContact CD1-CD2 4.45Å; E84-L88 WeakPolarHBondContact O-CB 3.27Å; E84-L88 PolarHBondContact O-N 3.35Å; L88-A92 VanDerWaalsContact O-CB 3.26Å; L88-A92 WeakPolarHBondContact O-CB 3.3Å; L88-A92 PolarHBondContact O-N 2.74Å
89M91.9Very high91.9Very high71 Ų7159 Ų5935%0.3531%0.308SS..Hα-helixtrans-68.9-44.8178-174.46367.600111.4F85 T86 Q87 E91 A92 L93F85-M89 HydrophobicContact CE1-CE 4.11Å; F85-M89 HydrophobicContact CE2-CE 3.91Å; F85-M89 HydrophobicContact CZ-CE 3.44Å; F85-M89 VanDerWaalsContact CZ-CE 3.44Å; F85-M89 WeakPolarHBondContact O-CB 3.44Å; F85-M89 PolarHBondContact O-N 2.85Å; T86-M89 PolarHBondContact O-N 3.41Å; Q87-M89 VanDerWaalsContact C-N 3.32Å; Q87-M89 PolarHBondContact O-N 3.3Å; M89-E91 VanDerWaalsContact C-N 3.34Å; M89-E91 PolarHBondContact O-N 2.88Å; M89-A92 PolarHBondContact O-N 3.47Å; M89-L93 HydrophobicContact CG-CD1 3.72Å; M89-L93 HydrophobicContact CG-CG 4.25Å; M89-L93 VanDerWaalsContact O-CB 3.22Å; M89-L93 WeakPolarHBondContact O-CB 3.36Å; M89-L93 WeakPolarHBondContact O-CG 3.41Å; M89-L93 PolarHBondContact O-N 2.77Å; M89-L93 HydrophobicContact SD-CD1 3.71Å; M89-L93 HydrophobicContact SD-CD2 4.42Å; M89-L93 HydrophobicContact SD-CG 3.9Å
90L92.2Very high92.1Very high12 Ų1251.4 Ų51.46%0.06328%0.275CS..Hα-helixtrans-64.7-38.5177-71.2176.1000111.8T86 Q87 D94 G95 I97 T229T86-L90 HydrophobicContact CG2-CD1 3.9Å; T86-L90 HydrophobicContact CG2-CG 4.29Å; T86-L90 WeakPolarHBondContact O-CB 3.41Å; T86-L90 VanDerWaalsContact O-CG 3.27Å; T86-L90 WeakPolarHBondContact O-CG 3.35Å; T86-L90 PolarHBondContact O-N 2.93Å; Q87-L90 PolarHBondContact O-N 2.95Å; L90-D94 PolarHBondContact O-N 3.34Å; L90-G95 PolarHBondContact O-N 2.77Å; L90-I97 HydrophobicContact CD1-CD1 4.11Å; L90-I97 HydrophobicContact CD1-CG1 4.04Å; L90-I97 HydrophobicContact CD2-CG1 4.05Å; L90-T229 HydrophobicContact CD2-CG2 3.89Å
91E89.9Confident92.1Very high76 Ų7650.3 Ų50.336%0.35527%0.269SS..Hα-helixtrans-64.8-46.4172.5-173.8170.2-159.500111.6Q87 M89 L93 D94 K239 Q322Q87-E91 WeakPolarHBondContact O-CB 3.08Å; Q87-E91 PolarHBondContact O-N 3.33Å; M89-E91 VanDerWaalsContact C-N 3.34Å; M89-E91 PolarHBondContact O-N 2.88Å; E91-L93 VanDerWaalsContact C-N 3.28Å; E91-L93 PolarHBondContact O-N 3.02Å; E91-D94 PolarHBondContact O-N 3.45Å; E91-K239 PolarHBondContact O-NZ 3.29Å; E91-Q322 PolarHBondContact OE1-NE2 3.18Å
92A90.1Very high92.1Very high79 Ų7949.1 Ų49.165%0.65326%0.26SS*.Hα-helixtrans-70-19.9179.900000114.5L88 M89L88-A92 VanDerWaalsContact O-CB 3.26Å; L88-A92 WeakPolarHBondContact O-CB 3.3Å; L88-A92 PolarHBondContact O-N 2.74Å; M89-A92 PolarHBondContact O-N 3.47Å
93L91Very high92.1Very high48 Ų4846.9 Ų46.925%0.25125%0.248SC..THydrogen-bonded Turntrans-98.8-0.9-179.3-69.6-177.5000114.2M89 E91 R231M89-L93 HydrophobicContact CG-CD1 3.72Å; M89-L93 HydrophobicContact CG-CG 4.25Å; M89-L93 VanDerWaalsContact O-CB 3.22Å; M89-L93 WeakPolarHBondContact O-CB 3.36Å; M89-L93 WeakPolarHBondContact O-CG 3.41Å; M89-L93 PolarHBondContact O-N 2.77Å; M89-L93 HydrophobicContact SD-CD1 3.71Å; M89-L93 HydrophobicContact SD-CD2 4.42Å; M89-L93 HydrophobicContact SD-CG 3.9Å; E91-L93 VanDerWaalsContact C-N 3.28Å; E91-L93 PolarHBondContact O-N 3.02Å; L93-R231 HydrophobicContact CB-CG 4.46Å; L93-R231 PolarHBondContact O-NE 2.9Å; L93-R231 PolarHBondContact O-NH2 2.94Å
94D92.6Very high92.2Very high22 Ų2240.2 Ų40.212%0.11822%0.217CC..THydrogen-bonded Turntrans51.650.8-169.4-63.9-28.1000112.2L90 E91 L116 R231 L232 P235 Q236 K239L90-D94 PolarHBondContact O-N 3.34Å; E91-D94 PolarHBondContact O-N 3.45Å; D94-L116 HydrophobicContact CB-CD2 4.25Å; D94-R231 WeakPolarHBondContact O-CA 2.94Å; D94-L232 HydrophobicContact CB-CB 4.32Å; D94-L232 PolarHBondContact O-N 3.45Å; D94-P235 WeakPolarHBondContact OD2-CA 3.39Å; D94-P235 WeakPolarHBondContact OD2-CB 3.13Å; D94-Q236 PolarHBondContact OD2-N 2.74Å; D94-K239 WeakPolarHBondContact OD1-CE 3.14Å; D94-K239 IonicContact OD1-NZ 3.43Å; D94-K239 PolarHBondContact OD1-NZ 3.19Å
95G94.5Very high92.4Very high0 Ų037.1 Ų37.10%021%0.207CC..EExtended strand (participates in β ladder)trans-135.1166.7-167.900000117.7L90 S112 L116 V230L90-G95 PolarHBondContact O-N 2.77Å; G95-S112 PolarHBondContact O-OG 2.78Å; G95-S112 VanDerWaalsContact O-OG 3.07Å; G95-L116 VanDerWaalsContact C-CD1 3.49Å; G95-L116 WeakPolarHBondContact O-CD1 3.16Å; G95-V230 CarbonylContact C-O 3.56Å; G95-V230 WeakPolarHBondContact CA-O 3.39Å
96F95.8Very high92.7Very high0 Ų035.1 Ų35.10%020%0.198CC..EExtended strand (participates in β ladder)trans-143.5153.4175.764.3-90.1000110.1I98 V109 S110 S112 I113 L116 L117 L172 V230F96-I98 HydrophobicContact CE2-CB 4.3Å; F96-I98 HydrophobicContact CE2-CD1 4.48Å; F96-V109 HydrophobicContact CD2-CG2 3.7Å; F96-V109 HydrophobicContact CE2-CG2 3.95Å; F96-S110 WeakPolarHBondContact CA-OG 3.33Å; F96-S110 WeakPolarHBondContact CB-OG 3.45Å; F96-S112 VanDerWaalsContact CA-OG 3.3Å; F96-S112 WeakPolarHBondContact CA-OG 3.38Å; F96-S112 WeakPolarHBondContact CB-OG 3.3Å; F96-I113 HydrophobicContact CB-CB 4.4Å; F96-I113 HydrophobicContact CD1-CB 4.41Å; F96-I113 HydrophobicContact CD1-CG1 4.45Å; F96-I113 HydrophobicContact CD2-CB 4.08Å; F96-I113 HydrophobicContact CD2-CD1 4.34Å; F96-I113 HydrophobicContact CD2-CG1 4.34Å; F96-I113 HydrophobicContact CE1-CG1 4.28Å; F96-I113 HydrophobicContact CE2-CB 4.41Å; F96-I113 HydrophobicContact CE2-CD1 3.83Å; F96-I113 HydrophobicContact CE2-CG1 4.17Å; F96-I113 HydrophobicContact CG-CB 4.07Å; F96-I113 HydrophobicContact CG-CG1 4.46Å; F96-I113 HydrophobicContact CZ-CD1 3.98Å; F96-I113 HydrophobicContact CZ-CG1 4.13Å; F96-L116 HydrophobicContact CB-CD1 4.49Å; F96-L116 HydrophobicContact CD1-CD1 3.98Å; F96-L117 HydrophobicContact CE1-CD1 3.66Å; F96-L117 HydrophobicContact CE1-CG 4.39Å; F96-L117 HydrophobicContact CZ-CD1 3.85Å; F96-L172 HydrophobicContact CZ-CD2 4.05Å; F96-V230 HydrophobicContact CD1-CB 3.98Å; F96-V230 HydrophobicContact CD1-CG1 4.19Å; F96-V230 HydrophobicContact CD2-CB 4.07Å; F96-V230 HydrophobicContact CD2-CG2 4.18Å; F96-V230 HydrophobicContact CE1-CB 3.69Å; F96-V230 HydrophobicContact CE1-CG1 3.47Å; F96-V230 VanDerWaalsContact CE1-CG1 3.47Å; F96-V230 HydrophobicContact CE1-CG2 4.43Å; F96-V230 HydrophobicContact CE2-CB 3.78Å; F96-V230 HydrophobicContact CE2-CG1 4.19Å; F96-V230 HydrophobicContact CE2-CG2 3.67Å; F96-V230 HydrophobicContact CG-CB 4.18Å; F96-V230 HydrophobicContact CZ-CB 3.59Å; F96-V230 HydrophobicContact CZ-CG1 3.49Å; F96-V230 VanDerWaalsContact CZ-CG1 3.49Å; F96-V230 HydrophobicContact CZ-CG2 3.83Å; F96-V230 PolarHBondContact N-O 3.4Å; F96-V230 PolarHBondContact O-N 2.88Å
97I96.3Very high92.8Very high43 Ų4336.1 Ų36.122%0.22120%0.201CC..EExtended strand (participates in β ladder)trans-89.8138.9176.2-61173.7000108.3T86 L90 Y108 V109 S110 A228T86-I97 HydrophobicContact CG2-CD1 4.15Å; L90-I97 HydrophobicContact CD1-CD1 4.11Å; L90-I97 HydrophobicContact CD1-CG1 4.04Å; L90-I97 HydrophobicContact CD2-CG1 4.05Å; I97-Y108 HydrophobicContact CB-CE1 4.16Å; I97-Y108 HydrophobicContact CG2-CD1 4.26Å; I97-Y108 HydrophobicContact CG2-CE1 3.89Å; I97-V109 CarbonylContact O-C 3.47Å; I97-V109 VanDerWaalsContact O-CA 3.31Å; I97-V109 WeakPolarHBondContact O-CA 3.42Å; I97-S110 PolarHBondContact N-OG 3.07Å; I97-S110 PolarHBondContact O-N 2.97Å; I97-A228 WeakPolarHBondContact CA-O 3.3Å
98I97.2Very high93.1Very high2 Ų237 Ų371%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-133.7146.6172.3-160.5176.2000110.1F96 V100 I106 Y108 V109 L129 F190 A228 V230F96-I98 HydrophobicContact CE2-CB 4.3Å; F96-I98 HydrophobicContact CE2-CD1 4.48Å; I98-V100 HydrophobicContact CD1-CG2 3.75Å; I98-V100 HydrophobicContact CG1-CG2 3.8Å; I98-V100 HydrophobicContact CG2-CG2 4.29Å; I98-I106 HydrophobicContact CD1-CD1 4.12Å; I98-I106 HydrophobicContact CD1-CG1 4.23Å; I98-I106 HydrophobicContact CD1-CG2 4.12Å; I98-I106 HydrophobicContact CG1-CG2 3.93Å; I98-Y108 WeakPolarHBondContact CA-O 3.39Å; I98-Y108 WeakPolarHBondContact CG1-O 3.16Å; I98-V109 HydrophobicContact CG1-CB 4.44Å; I98-V109 HydrophobicContact CG1-CG2 4.35Å; I98-L129 HydrophobicContact CD1-CD1 4.31Å; I98-F190 HydrophobicContact CG2-CD1 4.22Å; I98-F190 HydrophobicContact CG2-CE1 3.93Å; I98-A228 HydrophobicContact CG2-CB 4.27Å; I98-A228 PolarHBondContact N-O 2.96Å; I98-A228 PolarHBondContact O-N 3.46Å; I98-V230 HydrophobicContact CB-CG2 4.19Å; I98-V230 HydrophobicContact CG2-CG2 3.5Å
99A95.4Very high93.4Very high7 Ų732.6 Ų32.66%0.05818%0.178CC..EExtended strand (participates in β ladder)trans-125.912816600000110.2I107 Y108 F226 I227A99-I107 HydrophobicContact CB-CD1 4.24Å; A99-I107 HydrophobicContact CB-CG1 3.85Å; A99-I107 WeakPolarHBondContact O-CG1 3.39Å; A99-I107 PolarHBondContact O-N 2.75Å; A99-Y108 PolarHBondContact N-O 3.05Å; A99-Y108 PolarHBondContact O-N 3.28Å; A99-F226 WeakPolarHBondContact CA-O 3.37Å; A99-I227 HydrophobicContact CB-CG1 4.05Å
100V94.7Very high93.5Very high1 Ų129.6 Ų29.61%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-132.3133.2-171.8-168.10000109.4I98 G104 S105 I106 L129 L145 C225 F226I98-V100 HydrophobicContact CD1-CG2 3.75Å; I98-V100 HydrophobicContact CG1-CG2 3.8Å; I98-V100 HydrophobicContact CG2-CG2 4.29Å; V100-G104 VanDerWaalsContact CG1-C 3.44Å; V100-G104 WeakPolarHBondContact CG1-O 3.44Å; V100-S105 CarbonylContact C-O 3.51Å; V100-S105 WeakPolarHBondContact CA-O 3.31Å; V100-I106 HydrophobicContact CG1-CG1 4.49Å; V100-I106 HydrophobicContact CG2-CG1 4.25Å; V100-L129 HydrophobicContact CG1-CB 4.18Å; V100-L129 HydrophobicContact CG1-CD2 4.32Å; V100-L129 HydrophobicContact CG2-CD2 4.43Å; V100-L145 HydrophobicContact CG1-CD1 4.21Å; V100-C225 CarbonylContact O-C 3.57Å; V100-C225 WeakPolarHBondContact O-CA 3.2Å; V100-C225 WeakPolarHBondContact O-CB 3.14Å; V100-F226 PolarHBondContact N-O 2.96Å; V100-F226 PolarHBondContact O-N 2.94Å
101T92.1Very high93.5Very high6 Ų633.1 Ų33.14%0.03718%0.183CC..EExtended strand (participates in β ladder)trans-73166.6176.358.80000112D103 G104 S105 I107T101-D103 WeakPolarHBondContact CB-OD1 3.46Å; T101-D103 PolarHBondContact O-N 2.92Å; T101-D103 PolarHBondContact OG1-OD1 3.22Å; T101-D103 PolarHBondContact OG1-OD2 3.4Å; T101-G104 WeakPolarHBondContact O-CA 3.32Å; T101-G104 PolarHBondContact O-N 2.96Å; T101-S105 PolarHBondContact N-O 3.43Å; T101-S105 WeakPolarHBondContact OG1-CB 3.44Å; T101-S105 PolarHBondContact OG1-N 3.13Å; T101-S105 VanDerWaalsContact OG1-N 3.09Å; T101-S105 PolarHBondContact OG1-O 2.84Å; T101-I107 HydrophobicContact CG2-CD1 4.46Å; T101-I107 HydrophobicContact CG2-CG2 3.77Å
102T89.8Confident93.6Very high27 Ų2730.1 Ų30.117%0.16617%0.171CC..THydrogen-bonded Turntrans-65.6-16.6-180480000115M149 F194 V224T102-M149 HydrophobicContact CG2-CE 4.08Å; T102-M149 HydrophobicContact CG2-CG 4.26Å; T102-M149 HydrophobicContact CG2-SD 4.34Å; T102-F194 HydrophobicContact CG2-CE1 4.39Å; T102-V224 HydrophobicContact CG2-CB 4.27Å; T102-V224 HydrophobicContact CG2-CG1 4.39Å; T102-V224 PolarHBondContact N-O 2.87Å
103D88.9Confident93.7Very high70 Ų7026.5 Ų26.537%0.37414%0.14SC..THydrogen-bonded Turntrans-87.6-5.9169.759.1-74.9000113.6T101 S105 N128T101-D103 WeakPolarHBondContact CB-OD1 3.46Å; T101-D103 PolarHBondContact O-N 2.92Å; T101-D103 PolarHBondContact OG1-OD1 3.22Å; T101-D103 PolarHBondContact OG1-OD2 3.4Å; D103-S105 WeakPolarHBondContact OD2-CB 3.35Å; D103-S105 PolarHBondContact OD2-N 3.1Å; D103-S105 PolarHBondContact OD2-OG 2.63Å; D103-N128 PolarHBondContact O-ND2 2.89Å
104G90.9Very high93.8Very high1 Ų124.5 Ų24.51%0.0113%0.13CC..SBendtrans97.82.8177.200000115.6V100 T101 N128 L129V100-G104 VanDerWaalsContact CG1-C 3.44Å; V100-G104 WeakPolarHBondContact CG1-O 3.44Å; T101-G104 WeakPolarHBondContact O-CA 3.32Å; T101-G104 PolarHBondContact O-N 2.96Å; G104-N128 VanDerWaalsContact C-ND2 3.33Å; G104-N128 CarbonylContact O-C 3.54Å; G104-N128 WeakPolarHBondContact O-CA 3.35Å; G104-L129 WeakPolarHBondContact O-CB 3.43Å; G104-L129 PolarHBondContact O-N 2.85Å
105S94.3Very high93.6Very high39 Ų3925 Ų2527%0.27313%0.134SC..BIsolated β-bridgetrans-75.9129.7179.8-57.20000111.8V100 T101 D103 I107V100-S105 CarbonylContact C-O 3.51Å; V100-S105 WeakPolarHBondContact CA-O 3.31Å; T101-S105 PolarHBondContact N-O 3.43Å; T101-S105 WeakPolarHBondContact OG1-CB 3.44Å; T101-S105 PolarHBondContact OG1-N 3.13Å; T101-S105 VanDerWaalsContact OG1-N 3.09Å; T101-S105 PolarHBondContact OG1-O 2.84Å; D103-S105 WeakPolarHBondContact OD2-CB 3.35Å; D103-S105 PolarHBondContact OD2-N 3.1Å; D103-S105 PolarHBondContact OD2-OG 2.63Å; S105-I107 PolarHBondContact O-N 2.89Å
106I96.5Very high93.5Very high1 Ų125.1 Ų25.11%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-84.6111.5-177.5-57.3171.1000109.3I98 V100 V124 D126 Q127 L129 F132I98-I106 HydrophobicContact CD1-CD1 4.12Å; I98-I106 HydrophobicContact CD1-CG1 4.23Å; I98-I106 HydrophobicContact CD1-CG2 4.12Å; I98-I106 HydrophobicContact CG1-CG2 3.93Å; V100-I106 HydrophobicContact CG1-CG1 4.49Å; V100-I106 HydrophobicContact CG2-CG1 4.25Å; I106-V124 HydrophobicContact CD1-CG1 3.62Å; I106-V124 HydrophobicContact CG2-CG1 4.39Å; I106-D126 PolarHBondContact O-N 3.4Å; I106-Q127 PolarHBondContact N-O 3.5Å; I106-L129 HydrophobicContact CD1-CB 4.28Å; I106-L129 HydrophobicContact CD1-CD1 4.18Å; I106-L129 HydrophobicContact CG1-CB 4.18Å; I106-F132 HydrophobicContact CD1-CD2 4.26Å; I106-F132 HydrophobicContact CD1-CE2 4.05Å
107I94.8Very high93.3Very high71 Ų7125.1 Ų25.136%0.36414%0.135SC..EExtended strand (participates in β ladder)trans-97.7-13.2-177.557.8167.7000113.6A99 T101 S105 Y197 C225A99-I107 HydrophobicContact CB-CD1 4.24Å; A99-I107 HydrophobicContact CB-CG1 3.85Å; A99-I107 WeakPolarHBondContact O-CG1 3.39Å; A99-I107 PolarHBondContact O-N 2.75Å; T101-I107 HydrophobicContact CG2-CD1 4.46Å; T101-I107 HydrophobicContact CG2-CG2 3.77Å; S105-I107 PolarHBondContact O-N 2.89Å; I107-Y197 HydrophobicContact CD1-CE1 3.94Å; I107-C225 HydrophobicContact CD1-CB 3.8Å
108Y96.1Very high93.1Very high105 Ų10523.4 Ų23.441%0.41213%0.128SC..EExtended strand (participates in β ladder)trans-159.8145.5172.9172.3-100000110.6I97 I98 A99I97-Y108 HydrophobicContact CB-CE1 4.16Å; I97-Y108 HydrophobicContact CG2-CD1 4.26Å; I97-Y108 HydrophobicContact CG2-CE1 3.89Å; I98-Y108 WeakPolarHBondContact CA-O 3.39Å; I98-Y108 WeakPolarHBondContact CG1-O 3.16Å; A99-Y108 PolarHBondContact N-O 3.05Å; A99-Y108 PolarHBondContact O-N 3.28Å
109V96.6Very high92.9Very high3 Ų324.1 Ų24.12%0.01813%0.131CC..EExtended strand (participates in β ladder)trans-146.1141.8166.5700000109.3F96 I97 I98 I113 P121 V124 M125F96-V109 HydrophobicContact CD2-CG2 3.7Å; F96-V109 HydrophobicContact CE2-CG2 3.95Å; I97-V109 CarbonylContact O-C 3.47Å; I97-V109 VanDerWaalsContact O-CA 3.31Å; I97-V109 WeakPolarHBondContact O-CA 3.42Å; I98-V109 HydrophobicContact CG1-CB 4.44Å; I98-V109 HydrophobicContact CG1-CG2 4.35Å; V109-I113 HydrophobicContact CG1-CG2 4.29Å; V109-I113 HydrophobicContact CG2-CB 3.94Å; V109-I113 HydrophobicContact CG2-CD1 3.78Å; V109-I113 HydrophobicContact CG2-CG1 4.44Å; V109-I113 HydrophobicContact CG2-CG2 3.95Å; V109-P121 HydrophobicContact CG1-CB 3.82Å; V109-P121 HydrophobicContact CG1-CG 4.46Å; V109-V124 HydrophobicContact CG1-CB 4.28Å; V109-V124 HydrophobicContact CG1-CG1 4.26Å; V109-M125 HydrophobicContact CG1-CG 4.15Å
110S94.6Very high92.8Very high8 Ų825.2 Ų25.26%0.05614%0.136CC..  trans-80.3149.417765.10000112.2F96 I97 S112 I113F96-S110 WeakPolarHBondContact CA-OG 3.33Å; F96-S110 WeakPolarHBondContact CB-OG 3.45Å; I97-S110 PolarHBondContact N-OG 3.07Å; I97-S110 PolarHBondContact O-N 2.97Å; S110-S112 PolarHBondContact O-N 3.41Å; S110-S112 PolarHBondContact OG-OG 3.17Å; S110-I113 WeakPolarHBondContact O-CG2 3.47Å; S110-I113 PolarHBondContact O-N 3.46Å
111D91.1Very high92.8Very high87 Ų8725.9 Ų25.947%0.46514%0.14SC..THydrogen-bonded Turntrans-56.8-22.7-176.4-57.7-91.7000114.3I113 T114 P115 P121 I243D111-I113 PolarHBondContact O-N 2.93Å; D111-I113 VanDerWaalsContact O-N 3.12Å; D111-T114 VanDerWaalsContact O-CB 3.29Å; D111-T114 WeakPolarHBondContact O-CB 3.31Å; D111-T114 PolarHBondContact O-N 3.4Å; D111-T114 PolarHBondContact O-OG1 2.87Å; D111-P115 WeakPolarHBondContact O-CD 3.2Å; D111-P121 HydrophobicContact CB-CG 4.45Å; D111-I243 HydrophobicContact CB-CD1 3.79Å; D111-I243 HydrophobicContact CB-CG1 4.34Å
112S92.1Very high92.8Very high12 Ų1229.3 Ų29.38%0.08417%0.165CC..THydrogen-bonded Turntrans-62.5-9172.363.80000115G95 F96 S110 T114 P115 L116G95-S112 PolarHBondContact O-OG 2.78Å; G95-S112 VanDerWaalsContact O-OG 3.07Å; F96-S112 VanDerWaalsContact CA-OG 3.3Å; F96-S112 WeakPolarHBondContact CA-OG 3.38Å; F96-S112 WeakPolarHBondContact CB-OG 3.3Å; S110-S112 PolarHBondContact O-N 3.41Å; S110-S112 PolarHBondContact OG-OG 3.17Å; S112-T114 PolarHBondContact O-N 3.41Å; S112-P115 VanDerWaalsContact O-CD 3.29Å; S112-P115 WeakPolarHBondContact O-CD 3.41Å; S112-P115 WeakPolarHBondContact O-CG 3.5Å; S112-L116 WeakPolarHBondContact O-CD1 3.22Å; S112-L116 WeakPolarHBondContact O-CG 2.99Å
113I93.4Very high93Very high3 Ų330.7 Ų30.72%0.01517%0.171CC..Hα-helixtrans-61.7-32.3164.5-168.7167.8000112.2F96 V109 S110 D111 L116 L117 P121 V124F96-I113 HydrophobicContact CB-CB 4.4Å; F96-I113 HydrophobicContact CD1-CB 4.41Å; F96-I113 HydrophobicContact CD1-CG1 4.45Å; F96-I113 HydrophobicContact CD2-CB 4.08Å; F96-I113 HydrophobicContact CD2-CD1 4.34Å; F96-I113 HydrophobicContact CD2-CG1 4.34Å; F96-I113 HydrophobicContact CE1-CG1 4.28Å; F96-I113 HydrophobicContact CE2-CB 4.41Å; F96-I113 HydrophobicContact CE2-CD1 3.83Å; F96-I113 HydrophobicContact CE2-CG1 4.17Å; F96-I113 HydrophobicContact CG-CB 4.07Å; F96-I113 HydrophobicContact CG-CG1 4.46Å; F96-I113 HydrophobicContact CZ-CD1 3.98Å; F96-I113 HydrophobicContact CZ-CG1 4.13Å; V109-I113 HydrophobicContact CG1-CG2 4.29Å; V109-I113 HydrophobicContact CG2-CB 3.94Å; V109-I113 HydrophobicContact CG2-CD1 3.78Å; V109-I113 HydrophobicContact CG2-CG1 4.44Å; V109-I113 HydrophobicContact CG2-CG2 3.95Å; S110-I113 WeakPolarHBondContact O-CG2 3.47Å; S110-I113 PolarHBondContact O-N 3.46Å; D111-I113 PolarHBondContact O-N 2.93Å; D111-I113 VanDerWaalsContact O-N 3.12Å; I113-L116 PolarHBondContact O-N 2.91Å; I113-L117 HydrophobicContact CD1-CD1 4.44Å; I113-L117 HydrophobicContact CG1-CB 4.23Å; I113-L117 HydrophobicContact CG1-CD1 4.16Å; I113-L117 PolarHBondContact O-N 2.74Å; I113-P121 HydrophobicContact CG2-CG 4.2Å; I113-V124 HydrophobicContact CD1-CG1 4.16Å; I113-V124 HydrophobicContact CD1-CG2 4.2Å
114T92.1Very high93.3Very high7 Ų727.6 Ų27.64%0.04315%0.154CC..Hα-helixtrans-60.4-55.6-177.5-37.50000113D111 S112 L116 G118 H119 L120 C242 Y353D111-T114 VanDerWaalsContact O-CB 3.29Å; D111-T114 WeakPolarHBondContact O-CB 3.31Å; D111-T114 PolarHBondContact O-N 3.4Å; D111-T114 PolarHBondContact O-OG1 2.87Å; S112-T114 PolarHBondContact O-N 3.41Å; T114-L116 VanDerWaalsContact C-N 3.33Å; T114-L116 PolarHBondContact O-N 2.94Å; T114-G118 WeakPolarHBondContact O-CA 3.26Å; T114-G118 PolarHBondContact O-N 3.45Å; T114-H119 WeakPolarHBondContact CA-O 3.45Å; T114-H119 PolarHBondContact OG1-O 2.85Å; T114-L120 HydrophobicContact CG2-CD2 3.96Å; T114-C242 HydrophobicContact CG2-CB 3.69Å; T114-Y353 HydrophobicContact CG2-CD1 3.21Å; T114-Y353 HydrophobicContact CG2-CE1 3.65Å; T114-Y353 HydrophobicContact CG2-CG 4.01Å
115P89.3Confident93.5Very high31 Ų3131 Ų3120%0.20117%0.171CC..Hα-helixtrans-69.2-28.6179.629.5-39.9000113.9D111 S112 E240D111-P115 WeakPolarHBondContact O-CD 3.2Å; S112-P115 VanDerWaalsContact O-CD 3.29Å; S112-P115 WeakPolarHBondContact O-CD 3.41Å; S112-P115 WeakPolarHBondContact O-CG 3.5Å; P115-E240 WeakPolarHBondContact CB-O 3.29Å
116L91.6Very high93.4Very high3 Ų335.9 Ų35.92%0.01619%0.194CC..Hα-helixtrans-81.7-42.1-176.6-65.5171.1000112.4D94 G95 F96 S112 I113 T114 R174 L232 K239D94-L116 HydrophobicContact CB-CD2 4.25Å; G95-L116 VanDerWaalsContact C-CD1 3.49Å; G95-L116 WeakPolarHBondContact O-CD1 3.16Å; F96-L116 HydrophobicContact CB-CD1 4.49Å; F96-L116 HydrophobicContact CD1-CD1 3.98Å; S112-L116 WeakPolarHBondContact O-CD1 3.22Å; S112-L116 WeakPolarHBondContact O-CG 2.99Å; I113-L116 PolarHBondContact O-N 2.91Å; T114-L116 VanDerWaalsContact C-N 3.33Å; T114-L116 PolarHBondContact O-N 2.94Å; L116-R174 VanDerWaalsContact O-CZ 3.27Å; L116-R174 PolarHBondContact O-NH1 3.03Å; L116-R174 PolarHBondContact O-NH2 2.79Å; L116-L232 HydrophobicContact CB-CD1 3.97Å; L116-L232 HydrophobicContact CB-CD2 4.44Å; L116-L232 HydrophobicContact CD1-CD1 4.31Å; L116-L232 HydrophobicContact CD2-CD1 4.39Å; L116-L232 HydrophobicContact CD2-CD2 4.32Å; L116-L232 HydrophobicContact CG-CD1 4.46Å; L116-K239 HydrophobicContact CD2-CD 4.45Å
117L92.4Very high93.4Very high0 Ų039.6 Ų39.60%021%0.211CC..Hα-helixtrans-124.3-5.6-171.4-63.3-179.9000114.9F96 I113 H119 L172 R174 G175 E186 L232F96-L117 HydrophobicContact CE1-CD1 3.66Å; F96-L117 HydrophobicContact CE1-CG 4.39Å; F96-L117 HydrophobicContact CZ-CD1 3.85Å; I113-L117 HydrophobicContact CD1-CD1 4.44Å; I113-L117 HydrophobicContact CG1-CB 4.23Å; I113-L117 HydrophobicContact CG1-CD1 4.16Å; I113-L117 PolarHBondContact O-N 2.74Å; L117-H119 PolarHBondContact O-N 2.81Å; L117-L172 HydrophobicContact CD1-CB 4.43Å; L117-L172 HydrophobicContact CD1-CD2 3.63Å; L117-L172 HydrophobicContact CD1-CG 4.28Å; L117-R174 HydrophobicContact CD2-CG 4.46Å; L117-R174 CarbonylContact O-C 3.49Å; L117-R174 VanDerWaalsContact O-CA 3.32Å; L117-R174 WeakPolarHBondContact O-CA 3.29Å; L117-G175 PolarHBondContact O-N 2.94Å; L117-E186 HydrophobicContact CD2-CB 3.82Å; L117-E186 HydrophobicContact CD2-CG 3.6Å; L117-L232 HydrophobicContact CD2-CD1 4.37Å
118G91.3Very high93.5Very high7 Ų738 Ų387%0.07220%0.204CC..SBendtrans79.38.4175.100000116T114 Y353T114-G118 WeakPolarHBondContact O-CA 3.26Å; T114-G118 PolarHBondContact O-N 3.45Å; G118-Y353 WeakPolarHBondContact CA-OH 3.16Å; G118-Y353 VanDerWaalsContact O-CE1 3.29Å; G118-Y353 WeakPolarHBondContact O-CE1 3.3Å; G118-Y353 PolarHBondContact O-OH 3.22Å
119H92.9Very high93.5Very high17 Ų1733.1 Ų33.18%0.07919%0.185CC..  trans-97.4140.7174.1-62.6-65.4000111.5T114 L117 V124 F132 L173 G175T114-H119 WeakPolarHBondContact CA-O 3.45Å; T114-H119 PolarHBondContact OG1-O 2.85Å; L117-H119 PolarHBondContact O-N 2.81Å; H119-V124 HydrophobicContact CB-CG2 3.59Å; H119-F132 AromaticContact NE2-CD1 3.97Å; H119-L173 PolarHBondContact NE2-O 3.21Å; H119-G175 WeakPolarHBondContact CE1-CA 3.39Å; H119-G175 PolarHBondContact CE1-N 2.89Å; H119-G175 VanDerWaalsContact CE1-N 3.27Å; H119-G175 PolarHBondContact NE2-N 2.64Å
120L92.9Very high93.4Very high30 Ų3034.4 Ų34.416%0.15719%0.191CC..  trans-76.1147.7164.6-65.1174.7000109.6T114 S122 D123 Y353 A354 R357T114-L120 HydrophobicContact CG2-CD2 3.96Å; L120-S122 VanDerWaalsContact CB-OG 3.31Å; L120-S122 WeakPolarHBondContact CB-OG 3.25Å; L120-S122 PolarHBondContact O-N 3.45Å; L120-S122 VanDerWaalsContact O-N 3.16Å; L120-D123 WeakPolarHBondContact O-CB 3.49Å; L120-D123 PolarHBondContact O-N 3.3Å; L120-Y353 HydrophobicContact CD2-CD1 3.91Å; L120-A354 HydrophobicContact CD1-CB 3.8Å; L120-A354 HydrophobicContact CD2-CB 4.1Å; L120-R357 VanDerWaalsContact CD1-NH1 3.29Å
121P94.4Very high93.5Very high15 Ų1538.9 Ų38.910%0.09722%0.215CC..G310 helixtrans-53.5-34.6173.2-29.537.1000113.5V109 D111 I113 D123 V124 M125V109-P121 HydrophobicContact CG1-CB 3.82Å; V109-P121 HydrophobicContact CG1-CG 4.46Å; D111-P121 HydrophobicContact CB-CG 4.45Å; I113-P121 HydrophobicContact CG2-CG 4.2Å; P121-D123 PolarHBondContact O-N 2.72Å; P121-V124 PolarHBondContact O-N 2.94Å; P121-V124 VanDerWaalsContact O-N 3.12Å; P121-M125 HydrophobicContact CB-CE 4.15Å; P121-M125 WeakPolarHBondContact O-CG 3.44Å; P121-M125 PolarHBondContact O-N 2.85Å
122S93.6Very high93.7Very high79 Ų7935.8 Ų35.855%0.55220%0.197SC*.G310 helixtrans-57.9-24.8174.753.50000115L120L120-S122 VanDerWaalsContact CB-OG 3.31Å; L120-S122 WeakPolarHBondContact CB-OG 3.25Å; L120-S122 PolarHBondContact O-N 3.45Å; L120-S122 VanDerWaalsContact O-N 3.16Å
123D92.6Very high93.9Very high56 Ų5635.5 Ų35.530%0.29920%0.195SC..G310 helixtrans-93.8-9-176.1-58.923.9000111.1L120 P121 Q127 R357L120-D123 WeakPolarHBondContact O-CB 3.49Å; L120-D123 PolarHBondContact O-N 3.3Å; P121-D123 PolarHBondContact O-N 2.72Å; D123-Q127 WeakPolarHBondContact O-CG 3.34Å; D123-R357 IonicContact OD1-NH1 3.17Å; D123-R357 IonicContact OD2-CZ 2.69Å; D123-R357 IonicContact OD2-NH1 2.82Å; D123-R357 PolarHBondContact OD2-NH1 3.34Å; D123-R357 IonicContact OD2-NH2 3.4Å; D123-R357 PolarHBondContact OD2-NH2 2.94Å
124V95.6Very high94Very high4 Ų436.2 Ų36.22%0.02420%0.199CC..THydrogen-bonded Turntrans-120.1-33.2-170.9-179.80000112.2I106 V109 I113 H119 P121 Q127 F132I106-V124 HydrophobicContact CD1-CG1 3.62Å; I106-V124 HydrophobicContact CG2-CG1 4.39Å; V109-V124 HydrophobicContact CG1-CB 4.28Å; V109-V124 HydrophobicContact CG1-CG1 4.26Å; I113-V124 HydrophobicContact CD1-CG1 4.16Å; I113-V124 HydrophobicContact CD1-CG2 4.2Å; H119-V124 HydrophobicContact CB-CG2 3.59Å; P121-V124 PolarHBondContact O-N 2.94Å; P121-V124 VanDerWaalsContact O-N 3.12Å; V124-Q127 WeakPolarHBondContact O-CB 3.42Å; V124-Q127 PolarHBondContact O-N 3.34Å; V124-F132 HydrophobicContact CB-CZ 4.25Å; V124-F132 HydrophobicContact CG1-CE2 4.27Å; V124-F132 HydrophobicContact CG1-CZ 4.24Å; V124-F132 HydrophobicContact CG2-CE1 4.05Å; V124-F132 HydrophobicContact CG2-CZ 3.97Å
125M94.9Very high94.1Very high73 Ų7343.4 Ų43.436%0.3623%0.233SC..THydrogen-bonded Turntrans-62.2148.1170-69.3-174.7-64.100111.5V109 P121 Q127V109-M125 HydrophobicContact CG1-CG 4.15Å; P121-M125 HydrophobicContact CB-CE 4.15Å; P121-M125 WeakPolarHBondContact O-CG 3.44Å; P121-M125 PolarHBondContact O-N 2.85Å; M125-Q127 PolarHBondContact O-N 3.32Å
126D93.6Very high94.4Very high141 Ų14149 Ų4975%0.75426%0.256SS*.THydrogen-bonded Turntrans57.86.8-176.1-58.9-43000115I106I106-D126 PolarHBondContact O-N 3.4Å
127Q96.3Very high94.6Very high79 Ų7951 Ų5137%0.36927%0.265SS..SBendtrans-91157.9171.1-58.8-47.9-61.100111.4I106 D123 V124 M125 F132I106-Q127 PolarHBondContact N-O 3.5Å; D123-Q127 WeakPolarHBondContact O-CG 3.34Å; V124-Q127 WeakPolarHBondContact O-CB 3.42Å; V124-Q127 PolarHBondContact O-N 3.34Å; M125-Q127 PolarHBondContact O-N 3.32Å; Q127-F132 HydrophobicContact CB-CE2 3.75Å; Q127-F132 HydrophobicContact CB-CZ 4.07Å; Q127-F132 HydrophobicContact CG-CE2 4.4Å; Q127-F132 HydrophobicContact CG-CZ 4.22Å
128N95.9Very high94.7Very high39 Ų3953.5 Ų53.521%0.20928%0.277CS..BIsolated β-bridgetrans-81.7133.6169.3-163.8-79.7000110.1D103 G104 L130 N131D103-N128 PolarHBondContact O-ND2 2.89Å; G104-N128 VanDerWaalsContact C-ND2 3.33Å; G104-N128 CarbonylContact O-C 3.54Å; G104-N128 WeakPolarHBondContact O-CA 3.35Å; N128-L130 PolarHBondContact O-N 3.24Å; N128-L130 VanDerWaalsContact O-N 3.15Å; N128-L130 WeakPolarHBondContact OD1-CB 3.37Å; N128-L130 VanDerWaalsContact OD1-CG 3.31Å; N128-L130 WeakPolarHBondContact OD1-CG 3.45Å; N128-L130 PolarHBondContact OD1-N 3.47Å; N128-L130 VanDerWaalsContact OD1-N 3.1Å; N128-N131 VanDerWaalsContact O-CB 3.25Å; N128-N131 WeakPolarHBondContact O-CB 3.35Å; N128-N131 PolarHBondContact O-N 2.84Å
129L96.1Very high94.9Very high2 Ų257.7 Ų57.71%0.0131%0.305CS..G310 helixtrans-51.9-37.7179.3179.263.6000112.2I98 V100 G104 I106 N131 F132 L133 V141 L145 L172 F190I98-L129 HydrophobicContact CD1-CD1 4.31Å; V100-L129 HydrophobicContact CG1-CB 4.18Å; V100-L129 HydrophobicContact CG1-CD2 4.32Å; V100-L129 HydrophobicContact CG2-CD2 4.43Å; G104-L129 WeakPolarHBondContact O-CB 3.43Å; G104-L129 PolarHBondContact O-N 2.85Å; I106-L129 HydrophobicContact CD1-CB 4.28Å; I106-L129 HydrophobicContact CD1-CD1 4.18Å; I106-L129 HydrophobicContact CG1-CB 4.18Å; L129-N131 PolarHBondContact O-N 3.07Å; L129-N131 VanDerWaalsContact O-N 3.13Å; L129-F132 PolarHBondContact O-N 2.92Å; L129-L133 HydrophobicContact CD1-CD1 4.01Å; L129-L133 HydrophobicContact CG-CD1 3.76Å; L129-L133 WeakPolarHBondContact O-CD1 3.34Å; L129-V141 HydrophobicContact CD2-CG1 4.12Å; L129-L145 HydrophobicContact CD2-CD1 4.26Å; L129-L172 HydrophobicContact CD1-CD1 4.12Å; L129-F190 HydrophobicContact CD1-CZ 4.38Å; L129-F190 HydrophobicContact CD2-CZ 4.42Å
130L95.1Very high94.9Very high29 Ų2962.8 Ų62.815%0.15233%0.329CS..G310 helixtrans-59.7-25.4-179.8-60-176.4000113.2N128 F132 L133 H138 Y142N128-L130 PolarHBondContact O-N 3.24Å; N128-L130 VanDerWaalsContact O-N 3.15Å; N128-L130 WeakPolarHBondContact OD1-CB 3.37Å; N128-L130 VanDerWaalsContact OD1-CG 3.31Å; N128-L130 WeakPolarHBondContact OD1-CG 3.45Å; N128-L130 PolarHBondContact OD1-N 3.47Å; N128-L130 VanDerWaalsContact OD1-N 3.1Å; L130-F132 PolarHBondContact O-N 3Å; L130-F132 VanDerWaalsContact O-N 3.11Å; L130-L133 HydrophobicContact CD2-CD2 4.44Å; L130-L133 PolarHBondContact O-N 3.3Å; L130-L133 VanDerWaalsContact O-N 3.17Å; L130-H138 HydrophobicContact CD1-CB 4.4Å; L130-H138 HydrophobicContact CD2-CB 4.06Å; L130-H138 PolarHBondContact O-CE1 3.45Å; L130-H138 VanDerWaalsContact O-CE1 3.29Å; L130-H138 PolarHBondContact O-NE2 3.44Å; L130-Y142 HydrophobicContact CD1-CD2 4.35Å
131N95.6Very high94.9Very high103 Ų10361.5 Ų61.555%0.55132%0.322SS*.G310 helixtrans-61-20.8175.7-63.2-8.1000113N128 L129N128-N131 VanDerWaalsContact O-CB 3.25Å; N128-N131 WeakPolarHBondContact O-CB 3.35Å; N128-N131 PolarHBondContact O-N 2.84Å; L129-N131 PolarHBondContact O-N 3.07Å; L129-N131 VanDerWaalsContact O-N 3.13Å
132F96.4Very high94.8Very high21 Ų2166.2 Ų66.29%0.09234%0.339CS..G310 helixtrans-104.6-5.4-178.3-55.1-84.6000113.3I106 H119 V124 Q127 L129 L130 L172 L173I106-F132 HydrophobicContact CD1-CD2 4.26Å; I106-F132 HydrophobicContact CD1-CE2 4.05Å; H119-F132 AromaticContact NE2-CD1 3.97Å; V124-F132 HydrophobicContact CB-CZ 4.25Å; V124-F132 HydrophobicContact CG1-CE2 4.27Å; V124-F132 HydrophobicContact CG1-CZ 4.24Å; V124-F132 HydrophobicContact CG2-CE1 4.05Å; V124-F132 HydrophobicContact CG2-CZ 3.97Å; Q127-F132 HydrophobicContact CB-CE2 3.75Å; Q127-F132 HydrophobicContact CB-CZ 4.07Å; Q127-F132 HydrophobicContact CG-CE2 4.4Å; Q127-F132 HydrophobicContact CG-CZ 4.22Å; L129-F132 PolarHBondContact O-N 2.92Å; L130-F132 PolarHBondContact O-N 3Å; L130-F132 VanDerWaalsContact O-N 3.11Å; F132-L172 HydrophobicContact CB-CD1 3.45Å; F132-L172 VanDerWaalsContact CB-CD1 3.45Å; F132-L172 HydrophobicContact CB-CG 4.11Å; F132-L173 HydrophobicContact CB-CB 4.43Å; F132-L173 WeakPolarHBondContact O-CB 3.29Å; F132-L173 PolarHBondContact O-N 2.98Å
133L96.1Very high94.7Very high6 Ų669.3 Ų69.33%0.03134%0.342CS..SBendtrans-97.4152.2178.8-82.875.5000111.2L129 L130 E137 H138 V141 C170 L172L129-L133 HydrophobicContact CD1-CD1 4.01Å; L129-L133 HydrophobicContact CG-CD1 3.76Å; L129-L133 WeakPolarHBondContact O-CD1 3.34Å; L130-L133 HydrophobicContact CD2-CD2 4.44Å; L130-L133 PolarHBondContact O-N 3.3Å; L130-L133 VanDerWaalsContact O-N 3.17Å; L133-E137 HydrophobicContact CD2-CB 4.29Å; L133-H138 PolarHBondContact O-NE2 3.42Å; L133-V141 HydrophobicContact CD2-CB 3.8Å; L133-V141 HydrophobicContact CD2-CG1 4.07Å; L133-V141 HydrophobicContact CD2-CG2 3.6Å; L133-C170 HydrophobicContact CD2-CB 4.14Å; L133-L172 HydrophobicContact CD1-CD1 3.69Å
134P95.6Very high94.7Very high18 Ų1868.3 Ų68.312%0.11734%0.336CS..  trans-59.4138.9164-18.331.4000111.1Q136 E137 H138 H171 Y185P134-Q136 VanDerWaalsContact CB-OE1 3.27Å; P134-Q136 PolarHBondContact O-N 3.26Å; P134-E137 PolarHBondContact O-N 3.11Å; P134-H138 PolarHBondContact O-CD2 2.89Å; P134-H171 HydrophobicContact CG-CB 3.7Å; P134-Y185 HydrophobicContact CG-CD1 3.79Å; P134-Y185 HydrophobicContact CG-CE1 3.76Å; P134-Y185 HydrophobicContact CG-CG 4.3Å
135E94.2Very high94.3Very high159 Ų15968.2 Ų68.274%0.74334%0.336SS*.THydrogen-bonded Turntrans-51.5-29.5-177.2-61.1-177.7161.200113.7E137E135-E137 VanDerWaalsContact C-N 3.31Å; E135-E137 PolarHBondContact O-N 2.94Å
136Q95.6Very high93.9Very high149 Ų14966.5 Ų66.570%0.69633%0.331SS*.THydrogen-bonded Turntrans-65.9-32.5-179.5-60.175.519.900112.5P134P134-Q136 VanDerWaalsContact CB-OE1 3.27Å; P134-Q136 PolarHBondContact O-N 3.26Å
137E96.1Very high93Very high44 Ų4462.3 Ų62.321%0.20631%0.313CS..THydrogen-bonded Turntrans-91.6-13.5-174-60.2-174.1166.900112.8L133 P134 E135 S139 E140 V141 C170 H171L133-E137 HydrophobicContact CD2-CB 4.29Å; P134-E137 PolarHBondContact O-N 3.11Å; E135-E137 VanDerWaalsContact C-N 3.31Å; E135-E137 PolarHBondContact O-N 2.94Å; E137-S139 VanDerWaalsContact C-N 3.29Å; E137-S139 PolarHBondContact O-N 2.91Å; E137-E140 PolarHBondContact O-N 3.4Å; E137-E140 VanDerWaalsContact O-N 3.08Å; E137-V141 PolarHBondContact O-N 2.95Å; E137-V141 VanDerWaalsContact O-N 3.15Å; E137-C170 WeakPolarHBondContact OE2-CB 3.41Å; E137-H171 IonicContact OE1-CE1 3.67Å; E137-H171 IonicContact OE1-CG 3.73Å; E137-H171 IonicContact OE1-ND1 2.74Å; E137-H171 PolarHBondContact OE1-ND1 3.03Å; E137-H171 PolarHBondContact OE2-N 3.4Å; E137-H171 IonicContact OE2-ND1 3.81Å
138H94.9Very high91.6Very high53 Ų5361 Ų6125%0.24531%0.307CS..Hα-helixtrans-54-43.6-174.5-72-165.7000113L130 L133 P134 E140 Y142L130-H138 HydrophobicContact CD1-CB 4.4Å; L130-H138 HydrophobicContact CD2-CB 4.06Å; L130-H138 PolarHBondContact O-CE1 3.45Å; L130-H138 VanDerWaalsContact O-CE1 3.29Å; L130-H138 PolarHBondContact O-NE2 3.44Å; L133-H138 PolarHBondContact O-NE2 3.42Å; P134-H138 PolarHBondContact O-CD2 2.89Å; H138-E140 VanDerWaalsContact C-N 3.31Å; H138-E140 PolarHBondContact O-N 3.12Å; H138-Y142 WeakPolarHBondContact O-CB 3.19Å; H138-Y142 PolarHBondContact O-N 2.99Å
139S94.3Very high89.8Confident94 Ų9463.1 Ų63.166%0.65732%0.317SS*.Hα-helixtrans-69.2-27.1-176.871.40000113.7E137 K143E137-S139 VanDerWaalsContact C-N 3.29Å; E137-S139 PolarHBondContact O-N 2.91Å; S139-K143 VanDerWaalsContact O-CB 3.23Å; S139-K143 WeakPolarHBondContact O-CB 3.47Å; S139-K143 PolarHBondContact O-N 2.98Å
140E93.4Very high87.7Confident124 Ų12470.4 Ų70.458%0.57935%0.354SS*.Hα-helixtrans-81.4-48.9178.8-179.4149.6-140.500110.8E137 H138 Y142 K143 I144E137-E140 PolarHBondContact O-N 3.4Å; E137-E140 VanDerWaalsContact O-N 3.08Å; H138-E140 VanDerWaalsContact C-N 3.31Å; H138-E140 PolarHBondContact O-N 3.12Å; E140-Y142 PolarHBondContact O-N 2.91Å; E140-K143 WeakPolarHBondContact O-CB 3.47Å; E140-K143 PolarHBondContact O-N 3.02Å; E140-I144 HydrophobicContact CG-CD1 4.02Å; E140-I144 VanDerWaalsContact O-CG1 3.32Å; E140-I144 WeakPolarHBondContact O-CG1 3.31Å; E140-I144 PolarHBondContact O-N 2.88Å
141V93.7Very high85.7Confident3 Ų374.1 Ų74.12%0.01838%0.378CS..Hα-helixtrans-67.4-37.7179.4176.40000111.8L129 L133 E137 K143 I144 L145 F168 C170L129-V141 HydrophobicContact CD2-CG1 4.12Å; L133-V141 HydrophobicContact CD2-CB 3.8Å; L133-V141 HydrophobicContact CD2-CG1 4.07Å; L133-V141 HydrophobicContact CD2-CG2 3.6Å; E137-V141 PolarHBondContact O-N 2.95Å; E137-V141 VanDerWaalsContact O-N 3.15Å; V141-K143 PolarHBondContact O-N 3.23Å; V141-I144 WeakPolarHBondContact O-CB 3.32Å; V141-I144 PolarHBondContact O-N 3.09Å; V141-L145 HydrophobicContact CG1-CD1 4.34Å; V141-L145 WeakPolarHBondContact O-CG 3.39Å; V141-L145 PolarHBondContact O-N 3.06Å; V141-F168 HydrophobicContact CG1-CE2 3.97Å; V141-F168 HydrophobicContact CG1-CZ 4.13Å; V141-F168 HydrophobicContact CG2-CD2 4.25Å; V141-F168 HydrophobicContact CG2-CE2 3.95Å; V141-C170 HydrophobicContact CG2-CB 3.97Å
142Y92.1Very high83.5Confident114 Ų11473 Ų7345%0.44738%0.376SS..Hα-helixtrans-63.9-38.9172.7-174.1-93.1000112.7L130 H138 E140 I144 S146L130-Y142 HydrophobicContact CD1-CD2 4.35Å; H138-Y142 WeakPolarHBondContact O-CB 3.19Å; H138-Y142 PolarHBondContact O-N 2.99Å; E140-Y142 PolarHBondContact O-N 2.91Å; Y142-I144 VanDerWaalsContact C-N 3.34Å; Y142-S146 WeakPolarHBondContact O-CB 3.3Å; Y142-S146 PolarHBondContact O-N 3.36Å; Y142-S146 PolarHBondContact O-OG 3.2Å
143K91.8Very high80.6Confident145 Ų14579.6 Ų79.663%0.6341%0.411SS*.Hα-helixtrans-64-38.5173.5173.3-168.5168.2-157.60111.6S139 E140 V141 S146 S147S139-K143 VanDerWaalsContact O-CB 3.23Å; S139-K143 WeakPolarHBondContact O-CB 3.47Å; S139-K143 PolarHBondContact O-N 2.98Å; E140-K143 WeakPolarHBondContact O-CB 3.47Å; E140-K143 PolarHBondContact O-N 3.02Å; V141-K143 PolarHBondContact O-N 3.23Å; K143-S146 PolarHBondContact O-OG 3.35Å; K143-S147 WeakPolarHBondContact O-CB 3.29Å; K143-S147 PolarHBondContact O-N 3.05Å; K143-S147 VanDerWaalsContact O-N 3.13Å
144I90.8Very high77.6Confident34 Ų3483.3 Ų83.317%0.17444%0.438CS..Hα-helixtrans-63.8-53.3176-72.1164.4000110.3E140 V141 Y142 S146 S147 L166 F168E140-I144 HydrophobicContact CG-CD1 4.02Å; E140-I144 VanDerWaalsContact O-CG1 3.32Å; E140-I144 WeakPolarHBondContact O-CG1 3.31Å; E140-I144 PolarHBondContact O-N 2.88Å; V141-I144 WeakPolarHBondContact O-CB 3.32Å; V141-I144 PolarHBondContact O-N 3.09Å; Y142-I144 VanDerWaalsContact C-N 3.34Å; I144-S146 PolarHBondContact O-N 2.81Å; I144-S147 WeakPolarHBondContact O-CB 3.31Å; I144-S147 PolarHBondContact O-N 2.76Å; I144-S147 PolarHBondContact O-OG 3.46Å; I144-L166 HydrophobicContact CG2-CD1 3.86Å; I144-L166 HydrophobicContact CG2-CD2 3.44Å; I144-L166 VanDerWaalsContact CG2-CD2 3.44Å; I144-L166 HydrophobicContact CG2-CG 4.19Å; I144-F168 HydrophobicContact CD1-CB 3.95Å; I144-F168 HydrophobicContact CD1-CD2 4.4Å; I144-F168 HydrophobicContact CD1-CG 4.09Å; I144-F168 HydrophobicContact CG2-CD1 3.75Å; I144-F168 HydrophobicContact CG2-CE1 3.95Å; I144-F168 HydrophobicContact CG2-CG 4.35Å
145L89.1Confident74.7Confident2 Ų289 Ų891%0.0148%0.475CS..Hα-helixtrans-60.6-40.9180-69.2175000113.1V100 L129 V141 F194 F226V100-L145 HydrophobicContact CG1-CD1 4.21Å; L129-L145 HydrophobicContact CD2-CD1 4.26Å; V141-L145 HydrophobicContact CG1-CD1 4.34Å; V141-L145 WeakPolarHBondContact O-CG 3.39Å; V141-L145 PolarHBondContact O-N 3.06Å; L145-F194 WeakPolarHBondContact O-CE1 3.23Å; L145-F226 HydrophobicContact CD2-CB 3.94Å; L145-F226 HydrophobicContact CD2-CD1 3.99Å; L145-F226 HydrophobicContact CD2-CG 4.23Å
146S85.4Confident71.9Confident37 Ų3784 Ų8426%0.25946%0.457SS..Hα-helixtrans-77.3-18.2-179.456.90000114.3Y142 K143 I144 H148 M149Y142-S146 WeakPolarHBondContact O-CB 3.3Å; Y142-S146 PolarHBondContact O-N 3.36Å; Y142-S146 PolarHBondContact O-OG 3.2Å; K143-S146 PolarHBondContact O-OG 3.35Å; I144-S146 PolarHBondContact O-N 2.81Å; S146-H148 VanDerWaalsContact C-N 3.31Å; S146-H148 PolarHBondContact O-N 3.05Å; S146-M149 WeakPolarHBondContact O-CB 3.23Å; S146-M149 PolarHBondContact O-N 2.54Å
147S74.6Confident69.2Low54 Ų5482.3 Ų82.338%0.37846%0.459SS..Hα-helixtrans-58.6-36-175.368.50000114.3K143 I144 M149 L150K143-S147 WeakPolarHBondContact O-CB 3.29Å; K143-S147 PolarHBondContact O-N 3.05Å; K143-S147 VanDerWaalsContact O-N 3.13Å; I144-S147 WeakPolarHBondContact O-CB 3.31Å; I144-S147 PolarHBondContact O-N 2.76Å; I144-S147 PolarHBondContact O-OG 3.46Å; S147-M149 PolarHBondContact O-N 3.27Å; S147-L150 WeakPolarHBondContact O-CB 3.38Å; S147-L150 PolarHBondContact O-N 2.73Å; S147-L150 VanDerWaalsContact O-N 3.07Å
148H66.8Low66.1Low51 Ų5187 Ų8724%0.23648%0.482CS..G310 helixtrans-61.1-27.7-178.3-175.9-84.3000113.4S146 L150 V151 T152 F194S146-H148 VanDerWaalsContact C-N 3.31Å; S146-H148 PolarHBondContact O-N 3.05Å; H148-L150 PolarHBondContact O-N 2.92Å; H148-V151 PolarHBondContact O-N 2.72Å; H148-V151 VanDerWaalsContact O-N 3.14Å; H148-T152 PolarHBondContact CE1-OG1 3.2Å; H148-T152 VanDerWaalsContact CE1-OG1 3.27Å; H148-T152 PolarHBondContact ND1-OG1 2.94Å; H148-T152 PolarHBondContact O-OG1 3.06Å; H148-T152 VanDerWaalsContact O-OG1 3.14Å; H148-F194 HydrophobicContact CB-CD1 3.83Å; H148-F194 HydrophobicContact CB-CD2 3.78Å; H148-F194 HydrophobicContact CB-CE1 3.81Å; H148-F194 HydrophobicContact CB-CE2 3.77Å; H148-F194 HydrophobicContact CB-CG 3.8Å; H148-F194 HydrophobicContact CB-CZ 3.78Å; H148-F194 VanDerWaalsContact CD2-CB 3.41Å; H148-F194 WeakPolarHBondContact CD2-CB 3.46Å; H148-F194 AromaticContact CD2-CD2 3.5Å; H148-F194 VanDerWaalsContact CD2-CD2 3.5Å; H148-F194 WeakPolarHBondContact CD2-CD2 3.18Å; H148-F194 AromaticContact CD2-CG 3.49Å; H148-F194 VanDerWaalsContact CD2-CG 3.49Å; H148-F194 WeakPolarHBondContact CD2-CG 3.21Å; H148-F194 AromaticContact CG-CD1 3.92Å; H148-F194 AromaticContact CG-CD2 3.79Å; H148-F194 AromaticContact CG-CG 3.57Å
149M59Low63.6Low84 Ų8493.3 Ų93.341%0.41450%0.504SS..G310 helixtrans-61.8-25.6177.2-64.3-75.186.900112.6T102 S146 S147 V151 V224T102-M149 HydrophobicContact CG2-CE 4.08Å; T102-M149 HydrophobicContact CG2-CG 4.26Å; T102-M149 HydrophobicContact CG2-SD 4.34Å; S146-M149 WeakPolarHBondContact O-CB 3.23Å; S146-M149 PolarHBondContact O-N 2.54Å; S147-M149 PolarHBondContact O-N 3.27Å; M149-V151 VanDerWaalsContact C-N 3.35Å; M149-V224 HydrophobicContact CE-CB 4Å; M149-V224 HydrophobicContact CE-CG2 3.84Å
150L52.2Low61.2Low154 Ų15492.9 Ų92.981%0.80649%0.494SS*.G310 helixtrans-80.4-13.3179.6-57.3177.3000113.8S147 H148S147-L150 WeakPolarHBondContact O-CB 3.38Å; S147-L150 PolarHBondContact O-N 2.73Å; S147-L150 VanDerWaalsContact O-N 3.07Å; H148-L150 PolarHBondContact O-N 2.92Å
151V52.7Low58.8Low108 Ų10895.7 Ų95.766%0.65550%0.504SS*.THydrogen-bonded Turntrans-98.4-21.7-175.2-170.50000112.1H148 M149 D153H148-V151 PolarHBondContact O-N 2.72Å; H148-V151 VanDerWaalsContact O-N 3.14Å; M149-V151 VanDerWaalsContact C-N 3.35Å; V151-D153 PolarHBondContact O-N 2.71Å
152T48.3Very low56.6Low80 Ų80100.8 Ų100.849%0.49154%0.54SS..THydrogen-bonded Turntrans-79.5-12.8-167-54.90000114.1H148 S154H148-T152 PolarHBondContact CE1-OG1 3.2Å; H148-T152 VanDerWaalsContact CE1-OG1 3.27Å; H148-T152 PolarHBondContact ND1-OG1 2.94Å; H148-T152 PolarHBondContact O-OG1 3.06Å; H148-T152 VanDerWaalsContact O-OG1 3.14Å; T152-S154 VanDerWaalsContact C-N 3.26Å; T152-S154 PolarHBondContact O-N 3.16Å
153D35.6Very low54.7Low158 Ų158103.3 Ų103.385%0.84556%0.561SS**THydrogen-bonded Turntrans-76.73-172-106.3-4.6000115.6V151V151-D153 PolarHBondContact O-N 2.71Å
154S34.6Very low53Low84 Ų8499.9 Ų99.959%0.58756%0.556SS**  trans-86.1123.1176.198.30000111.3T152 S156T152-S154 VanDerWaalsContact C-N 3.26Å; T152-S154 PolarHBondContact O-N 3.16Å; S154-S156 PolarHBondContact O-N 2.89Å
155P34.7Very low52.2Low137 Ų137103.4 Ų103.489%0.8958%0.575SS**  trans-8229.6-172.633.9-37.5000114.2
156S33.8Very low52.1Low54 Ų54105.1 Ų105.138%0.37858%0.584SS.*  trans-90.3133.4177.4-1780000112.1S154 E158S154-S156 PolarHBondContact O-N 2.89Å; S156-E158 PolarHBondContact O-N 3.18Å; S156-E158 WeakPolarHBondContact OG-CB 3.29Å; S156-E158 VanDerWaalsContact OG-CD 3.23Å; S156-E158 WeakPolarHBondContact OG-CG 3.47Å; S156-E158 PolarHBondContact OG-N 3.12Å; S156-E158 PolarHBondContact OG-OE2 3.25Å
157P39.4Very low52.4Low114 Ų114108.2 Ų108.274%0.7459%0.594SS**  trans-82.819.5171.936-35.7000113.5Y159P157-Y159 PolarHBondContact O-N 2.67Å
158E31.1Very low53.3Low144 Ų144106.2 Ų106.267%0.67358%0.579SS**  trans-77.759.4177.4-68.3165.3133.400111.6S156 L160S156-E158 PolarHBondContact O-N 3.18Å; S156-E158 WeakPolarHBondContact OG-CB 3.29Å; S156-E158 VanDerWaalsContact OG-CD 3.23Å; S156-E158 WeakPolarHBondContact OG-CG 3.47Å; S156-E158 PolarHBondContact OG-N 3.12Å; S156-E158 PolarHBondContact OG-OE2 3.25Å; E158-L160 PolarHBondContact O-N 3.49Å
159Y43.2Very low54.7Low185 Ų185109.3 Ų109.373%0.72559%0.589SS**  trans-6836.5-178.2-167.5-101.4000114P157P157-Y159 PolarHBondContact O-N 2.67Å
160L42.7Very low56.5Low85 Ų85105.3 Ų105.345%0.44557%0.57SS.*  trans-151.666.1-175.9-69.3-179.8000111.8K58 V62 E158K58-L160 HydrophobicContact CD-CD1 4.29Å; K58-L160 HydrophobicContact CG-CD1 4.08Å; V62-L160 HydrophobicContact CB-CD2 4.26Å; V62-L160 HydrophobicContact CG1-CD2 3.86Å; V62-L160 HydrophobicContact CG2-CD1 3.26Å; V62-L160 HydrophobicContact CG2-CD2 3.34Å; V62-L160 HydrophobicContact CG2-CG 3.93Å; E158-L160 PolarHBondContact O-N 3.49Å
161K43.3Very low58.6Low182 Ų182101 Ų10179%0.79155%0.546SS*.  trans-137105.4160-73.5-168.5176.3171.30110.2D163K161-D163 PolarHBondContact O-N 2.83Å
162S48.8Very low60.7Low110 Ų11096.2 Ų96.277%0.76952%0.516SS*.SBendtrans-25.9105.5159.950.40000114.8
163D50.7Low62.9Low167 Ų16794.2 Ų94.289%0.89350%0.502SS*.  trans175.439.7144.8-93.1-11.9000109K161K161-D163 PolarHBondContact O-N 2.83Å
164S56.5Low65.7Low73 Ų7389.7 Ų89.751%0.5147%0.473SS..  trans-93.4-9.4-175.654.80000114.5L166 N193S164-L166 PolarHBondContact O-N 3.17Å; S164-N193 WeakPolarHBondContact O-CA 3.44Å; S164-N193 VanDerWaalsContact O-CB 3.23Å; S164-N193 WeakPolarHBondContact O-CB 3.47Å
165D73.8Confident68.3Low108 Ų10886.5 Ų86.558%0.57845%0.454SS*.EExtended strand (participates in β ladder)trans-86.7108-179.7-62.3-51.2000109.5G192 N193D165-G192 CarbonylContact C-O 3.48Å; D165-G192 WeakPolarHBondContact CA-O 3.44Å; D165-N193 PolarHBondContact OD1-ND2 3.02Å
166L87.3Confident70.6Confident39 Ų3982.3 Ų82.320%0.20443%0.427CS..EExtended strand (participates in β ladder)trans-93.8122.1177.8162.566.1000108.7I144 S164 F168 G192 F194 F226I144-L166 HydrophobicContact CG2-CD1 3.86Å; I144-L166 HydrophobicContact CG2-CD2 3.44Å; I144-L166 VanDerWaalsContact CG2-CD2 3.44Å; I144-L166 HydrophobicContact CG2-CG 4.19Å; S164-L166 PolarHBondContact O-N 3.17Å; L166-F168 HydrophobicContact CD1-CD1 4.24Å; L166-F168 HydrophobicContact CD2-CD1 4.19Å; L166-F168 HydrophobicContact CD2-CE1 4.29Å; L166-F168 HydrophobicContact CG-CD1 4.06Å; L166-G192 PolarHBondContact N-O 2.83Å; L166-G192 PolarHBondContact O-N 2.88Å; L166-G192 VanDerWaalsContact O-N 3.12Å; L166-F194 HydrophobicContact CB-CE2 4.5Å; L166-F194 HydrophobicContact CD2-CE2 3.54Å; L166-F194 HydrophobicContact CD2-CZ 3.88Å; L166-F226 HydrophobicContact CB-CE2 3.85Å; L166-F226 HydrophobicContact CB-CZ 4.4Å; L166-F226 HydrophobicContact CD2-CD2 4.06Å; L166-F226 HydrophobicContact CD2-CE2 3.66Å; L166-F226 HydrophobicContact CD2-CZ 3.94Å; L166-F226 HydrophobicContact CG-CE2 3.92Å; L166-F226 HydrophobicContact CG-CZ 4.07Å
167E92Very high72.8Confident101 Ų10181.3 Ų81.347%0.47242%0.418SS..EExtended strand (participates in β ladder)trans-111.1135.9167.6-56.1-160.4130.400110.6K189 F190 V191E167-K189 VanDerWaalsContact CD-CE 3.44Å; E167-K189 WeakPolarHBondContact OE1-CE 3.34Å; E167-K189 IonicContact OE1-NZ 2.65Å; E167-K189 PolarHBondContact OE1-NZ 2.74Å; E167-K189 VanDerWaalsContact OE2-CE 3.27Å; E167-K189 WeakPolarHBondContact OE2-CE 3.43Å; E167-K189 IonicContact OE2-NZ 2.68Å; E167-K189 PolarHBondContact OE2-NZ 2.84Å; E167-F190 VanDerWaalsContact CA-O 3.3Å; E167-F190 WeakPolarHBondContact CA-O 3.36Å; E167-V191 HydrophobicContact CG-CG1 4.2Å; E167-V191 HydrophobicContact CG-CG2 4.22Å; E167-V191 WeakPolarHBondContact OE1-CG1 3.22Å; E167-V191 VanDerWaalsContact OE1-CG2 3.25Å; E167-V191 WeakPolarHBondContact OE1-CG2 3.49Å
168F93.9Very high74.7Confident13 Ų1378.8 Ų78.86%0.05740%0.398CS..EExtended strand (participates in β ladder)trans-150.4170.3167.868.2-90.9000111.1V141 I144 L166 K189 F190 F226V141-F168 HydrophobicContact CG1-CE2 3.97Å; V141-F168 HydrophobicContact CG1-CZ 4.13Å; V141-F168 HydrophobicContact CG2-CD2 4.25Å; V141-F168 HydrophobicContact CG2-CE2 3.95Å; I144-F168 HydrophobicContact CD1-CB 3.95Å; I144-F168 HydrophobicContact CD1-CD2 4.4Å; I144-F168 HydrophobicContact CD1-CG 4.09Å; I144-F168 HydrophobicContact CG2-CD1 3.75Å; I144-F168 HydrophobicContact CG2-CE1 3.95Å; I144-F168 HydrophobicContact CG2-CG 4.35Å; L166-F168 HydrophobicContact CD1-CD1 4.24Å; L166-F168 HydrophobicContact CD2-CD1 4.19Å; L166-F168 HydrophobicContact CD2-CE1 4.29Å; L166-F168 HydrophobicContact CG-CD1 4.06Å; F168-K189 WeakPolarHBondContact O-CA 3.26Å; F168-F190 HydrophobicContact CD1-CB 3.98Å; F168-F190 HydrophobicContact CD1-CG 4.48Å; F168-F190 HydrophobicContact CD2-CB 4.45Å; F168-F190 AromaticContact CD2-CD2 3.91Å; F168-F190 HydrophobicContact CD2-CD2 3.91Å; F168-F190 HydrophobicContact CD2-CG 4.39Å; F168-F190 HydrophobicContact CE1-CB 3.75Å; F168-F190 HydrophobicContact CE1-CD1 4.32Å; F168-F190 HydrophobicContact CE1-CD2 4.32Å; F168-F190 AromaticContact CE1-CG 3.9Å; F168-F190 HydrophobicContact CE1-CG 3.9Å; F168-F190 HydrophobicContact CE2-CB 4.22Å; F168-F190 HydrophobicContact CE2-CD1 4.43Å; F168-F190 AromaticContact CE2-CD2 3.32Å; F168-F190 HydrophobicContact CE2-CD2 3.32Å; F168-F190 AromaticContact CE2-CE2 3.68Å; F168-F190 HydrophobicContact CE2-CE2 3.68Å; F168-F190 AromaticContact CE2-CG 3.76Å; F168-F190 HydrophobicContact CE2-CG 3.76Å; F168-F190 HydrophobicContact CE2-CZ 4.37Å; F168-F190 HydrophobicContact CG-CB 4.33Å; F168-F190 HydrophobicContact CZ-CB 3.87Å; F168-F190 AromaticContact CZ-CD1 3.84Å; F168-F190 HydrophobicContact CZ-CD1 3.84Å; F168-F190 AromaticContact CZ-CD2 3.57Å; F168-F190 HydrophobicContact CZ-CD2 3.57Å; F168-F190 HydrophobicContact CZ-CE1 4.23Å; F168-F190 HydrophobicContact CZ-CE2 4.01Å; F168-F190 AromaticContact CZ-CG 3.49Å; F168-F190 HydrophobicContact CZ-CG 3.49Å; F168-F190 VanDerWaalsContact CZ-CG 3.49Å; F168-F190 HydrophobicContact CZ-CZ 4.33Å; F168-F190 PolarHBondContact N-O 3.14Å; F168-F190 PolarHBondContact O-N 3.19Å; F168-F226 HydrophobicContact CD1-CE1 4.45Å; F168-F226 HydrophobicContact CD1-CZ 4.44Å; F168-F226 HydrophobicContact CE1-CD1 4.32Å; F168-F226 AromaticContact CE1-CE1 3.5Å; F168-F226 HydrophobicContact CE1-CE1 3.5Å; F168-F226 AromaticContact CE1-CZ 3.89Å; F168-F226 HydrophobicContact CE1-CZ 3.89Å; F168-F226 HydrophobicContact CZ-CE1 4.15Å
169Y95.7Very high76.8Confident115 Ų11577.3 Ų77.345%0.45140%0.401SS..EExtended strand (participates in β ladder)trans-125.7145.4177-61.6-103.9000109.5Y187 I188 K189Y169-Y187 VanDerWaalsContact CB-OH 3.26Å; Y169-Y187 WeakPolarHBondContact CB-OH 3.39Å; Y169-Y187 AromaticContact CD1-CE1 3.81Å; Y169-Y187 HydrophobicContact CD1-CE1 3.81Å; Y169-Y187 HydrophobicContact CG-CE1 4.33Å; Y169-I188 VanDerWaalsContact CA-O 3.24Å; Y169-I188 WeakPolarHBondContact CA-O 3.47Å; Y169-K189 HydrophobicContact CD1-CB 3.78Å; Y169-K189 HydrophobicContact CD1-CG 3.97Å; Y169-K189 HydrophobicContact CD2-CG 4.47Å; Y169-K189 HydrophobicContact CE1-CB 3.6Å; Y169-K189 HydrophobicContact CE1-CD 3.91Å; Y169-K189 HydrophobicContact CE1-CG 3.59Å; Y169-K189 HydrophobicContact CE2-CD 4.35Å; Y169-K189 HydrophobicContact CE2-CG 4.11Å; Y169-K189 HydrophobicContact CG-CG 4.41Å; Y169-K189 WeakPolarHBondContact OH-CD 3.43Å; Y169-K189 WeakPolarHBondContact OH-CE 3.31Å
170C96.1Very high78.5Confident1 Ų174.9 Ų74.91%0.00739%0.394CS..EExtended strand (participates in β ladder)trans-154.7176.8168.480.10000109.7L133 E137 V141 I188L133-C170 HydrophobicContact CD2-CB 4.14Å; E137-C170 WeakPolarHBondContact OE2-CB 3.41Å; V141-C170 HydrophobicContact CG2-CB 3.97Å; C170-I188 PolarHBondContact N-O 3.01Å; C170-I188 VanDerWaalsContact N-O 3.15Å; C170-I188 VanDerWaalsContact O-CG1 3.25Å; C170-I188 WeakPolarHBondContact O-CG1 3.25Å; C170-I188 PolarHBondContact O-N 2.78Å
171H96.8Very high80.5Confident64 Ų6476.4 Ų76.430%0.29640%0.399SS..EExtended strand (participates in β ladder)trans-91.7143.2169.6-70.792000110.8P134 E137 Y185 E186 Y187P134-H171 HydrophobicContact CG-CB 3.7Å; E137-H171 IonicContact OE1-CE1 3.67Å; E137-H171 IonicContact OE1-CG 3.73Å; E137-H171 IonicContact OE1-ND1 2.74Å; E137-H171 PolarHBondContact OE1-ND1 3.03Å; E137-H171 PolarHBondContact OE2-N 3.4Å; E137-H171 IonicContact OE2-ND1 3.81Å; H171-Y185 HydrophobicContact CB-CD1 4.31Å; H171-Y185 HydrophobicContact CB-CG 4.49Å; H171-E186 CarbonylContact C-O 3.54Å; H171-E186 VanDerWaalsContact CA-O 3.25Å; H171-E186 WeakPolarHBondContact CA-O 3.27Å; H171-Y187 AromaticContact CD2-CD2 3.96Å; H171-Y187 AromaticContact CE1-CD2 3.52Å; H171-Y187 AromaticContact ND1-CD2 3.89Å; H171-Y187 AromaticContact NE2-CD2 3.56Å
172L96.1Very high82.5Confident6 Ų676.3 Ų76.33%0.03140%0.399CS..EExtended strand (participates in β ladder)trans-132.1130.4176.4-154.666.8000111F96 L117 L129 F132 L133 R174 Y185 E186 I188F96-L172 HydrophobicContact CZ-CD2 4.05Å; L117-L172 HydrophobicContact CD1-CB 4.43Å; L117-L172 HydrophobicContact CD1-CD2 3.63Å; L117-L172 HydrophobicContact CD1-CG 4.28Å; L129-L172 HydrophobicContact CD1-CD1 4.12Å; F132-L172 HydrophobicContact CB-CD1 3.45Å; F132-L172 VanDerWaalsContact CB-CD1 3.45Å; F132-L172 HydrophobicContact CB-CG 4.11Å; L133-L172 HydrophobicContact CD1-CD1 3.69Å; L172-R174 PolarHBondContact O-N 3.38Å; L172-Y185 WeakPolarHBondContact O-CA 3.19Å; L172-E186 PolarHBondContact N-O 3.39Å; L172-E186 PolarHBondContact O-N 3.35Å; L172-I188 HydrophobicContact CB-CD1 3.54Å; L172-I188 HydrophobicContact CB-CG1 4.04Å; L172-I188 HydrophobicContact CD2-CD1 3.6Å; L172-I188 HydrophobicContact CG-CD1 4.08Å
173L95.6Very high84.5Confident38 Ų3875.3 Ų75.320%0.19939%0.389CS..EExtended strand (participates in β ladder)trans-59131.3-176.6178.665000110.8H119 F132 P183 Y185H119-L173 PolarHBondContact NE2-O 3.21Å; F132-L173 HydrophobicContact CB-CB 4.43Å; F132-L173 WeakPolarHBondContact O-CB 3.29Å; F132-L173 PolarHBondContact O-N 2.98Å; L173-P183 HydrophobicContact CD1-CB 3.63Å; L173-Y185 HydrophobicContact CB-CD1 4.01Å; L173-Y185 HydrophobicContact CB-CE1 3.79Å; L173-Y185 HydrophobicContact CD1-CE1 4.17Å; L173-Y185 HydrophobicContact CD1-CE2 4.23Å
174R93.2Very high86.5Confident64 Ų6470.8 Ų70.824%0.24237%0.368CS..PPolyproline II helixtrans-77.9134.2165.9-60.5-169.868.176.519.5109.9L116 L117 L172 T184 E186L116-R174 VanDerWaalsContact O-CZ 3.27Å; L116-R174 PolarHBondContact O-NH1 3.03Å; L116-R174 PolarHBondContact O-NH2 2.79Å; L117-R174 HydrophobicContact CD2-CG 4.46Å; L117-R174 CarbonylContact O-C 3.49Å; L117-R174 VanDerWaalsContact O-CA 3.32Å; L117-R174 WeakPolarHBondContact O-CA 3.29Å; L172-R174 PolarHBondContact O-N 3.38Å; R174-T184 WeakPolarHBondContact CB-O 3.43Å; R174-T184 PolarHBondContact N-O 2.65Å; R174-E186 HydrophobicContact CG-CG 3.9Å; R174-E186 IonicContact CZ-OE1 3.7Å; R174-E186 IonicContact NE-OE1 2.87Å; R174-E186 VanDerWaalsContact NH1-CG 3.32Å; R174-E186 IonicContact NH1-OE1 3.8Å; R174-E186 PolarHBondContact NH1-OE1 2.77Å
175G89.2Confident88.3Confident17 Ų1771.3 Ų71.318%0.17536%0.36CS..PPolyproline II helixtrans-70.6135.1164.700000110L117 H119L117-G175 PolarHBondContact O-N 2.94Å; H119-G175 WeakPolarHBondContact CE1-CA 3.39Å; H119-G175 PolarHBondContact CE1-N 2.89Å; H119-G175 VanDerWaalsContact CE1-N 3.27Å; H119-G175 PolarHBondContact NE2-N 2.64Å
176S83.9Confident89.3Confident48 Ų4867.9 Ų67.934%0.33634%0.34SS..  trans-108.4150.1176.2179.50000112.2N178 E181S176-N178 VanDerWaalsContact C-N 3.26Å; S176-N178 PolarHBondContact OG-N 2.97Å; S176-N178 PolarHBondContact OG-O 3.39Å; S176-E181 VanDerWaalsContact CB-OE2 3.31Å; S176-E181 WeakPolarHBondContact CB-OE2 3.22Å; S176-E181 PolarHBondContact OG-OE2 3.01Å
177L80.3Confident89.7Confident33 Ų3370.8 Ų70.817%0.17335%0.349CS..SBendtrans-76.9-9.1166.9-71.3-173.6000113.1W325 Y353 V356 R357 R360L177-W325 HydrophobicContact CD1-CH2 3.94Å; L177-W325 HydrophobicContact CD1-CZ2 3.85Å; L177-Y353 HydrophobicContact CD1-CE2 4.36Å; L177-Y353 HydrophobicContact CD2-CE2 3.66Å; L177-Y353 HydrophobicContact CG-CE2 4.17Å; L177-V356 HydrophobicContact CD1-CG1 4.45Å; L177-R357 HydrophobicContact CD2-CG 3.46Å; L177-R357 VanDerWaalsContact CD2-CG 3.46Å; L177-R360 VanDerWaalsContact O-CD 3.23Å; L177-R360 WeakPolarHBondContact O-CD 3.47Å
178N78.9Confident89.9Confident62 Ų6266 Ų6633%0.33233%0.326SS..  trans-131.6111.6-177.4-178.85.3000111.3S176 K180 E181S176-N178 VanDerWaalsContact C-N 3.26Å; S176-N178 PolarHBondContact OG-N 2.97Å; S176-N178 PolarHBondContact OG-O 3.39Å; N178-K180 PolarHBondContact O-N 3.31Å; N178-K180 WeakPolarHBondContact OD1-CB 3.43Å; N178-K180 PolarHBondContact OD1-N 2.88Å; N178-E181 HydrophobicContact CB-CB 4.5Å; N178-E181 WeakPolarHBondContact O-CB 3.25Å; N178-E181 PolarHBondContact O-N 2.87Å; N178-E181 VanDerWaalsContact O-N 3.1Å
179P75.6Confident90Very high113 Ų11367.1 Ų67.173%0.73433%0.332SS*.THydrogen-bonded Turntrans-70.2-2.7-179.432.1-36.5000114.2L364P179-L364 HydrophobicContact CG-CD1 4.49Å
180K79.1Confident90Very high134 Ų13461.7 Ų61.758%0.58331%0.31SS*.THydrogen-bonded Turntrans-93.3-0.1173.5-58.5-178.4178.4179.50112.8N178 D368N178-K180 PolarHBondContact O-N 3.31Å; N178-K180 WeakPolarHBondContact OD1-CB 3.43Å; N178-K180 PolarHBondContact OD1-N 2.88Å; K180-D368 VanDerWaalsContact CE-OD2 3.26Å; K180-D368 WeakPolarHBondContact CE-OD2 3.17Å; K180-D368 IonicContact NZ-OD1 3.64Å; K180-D368 IonicContact NZ-OD2 2.79Å; K180-D368 PolarHBondContact NZ-OD2 2.88Å
181E84.6Confident89.9Confident117 Ų11763.8 Ų63.855%0.54732%0.323SS..SBendtrans-83.7151.9175.3-169.8167.1-137.900111.8S176 N178S176-E181 VanDerWaalsContact CB-OE2 3.31Å; S176-E181 WeakPolarHBondContact CB-OE2 3.22Å; S176-E181 PolarHBondContact OG-OE2 3.01Å; N178-E181 HydrophobicContact CB-CB 4.5Å; N178-E181 WeakPolarHBondContact O-CB 3.25Å; N178-E181 PolarHBondContact O-N 2.87Å; N178-E181 VanDerWaalsContact O-N 3.1Å
182F85.6Confident89.6Confident180 Ų18061 Ų6179%0.78931%0.312SS*.  trans-76.9144.3177.9-69.8-80.3000111.6T184F182-T184 PolarHBondContact O-N 2.96Å; F182-T184 PolarHBondContact O-OG1 3.36Å
183P90.4Very high89.3Confident88 Ų8862.2 Ų62.257%0.57132%0.318SS*.  trans-61113.8179.725.7-34.4000110.6L173 Y185L173-P183 HydrophobicContact CD1-CB 3.63Å; P183-Y185 HydrophobicContact CB-CE2 4.04Å
184T92.9Very high88.9Confident73 Ų7361.6 Ų61.645%0.44831%0.314SS..  trans-106.8139.7-178.8-62.20000108.7R174 F182R174-T184 WeakPolarHBondContact CB-O 3.43Å; R174-T184 PolarHBondContact N-O 2.65Å; F182-T184 PolarHBondContact O-N 2.96Å; F182-T184 PolarHBondContact O-OG1 3.36Å
185Y94.1Very high88.4Confident84 Ų8464.7 Ų64.733%0.32933%0.326SS..EExtended strand (participates in β ladder)trans-123.3141.8-174.8-62.7-103.9000110.9P134 H171 L172 L173 P183P134-Y185 HydrophobicContact CG-CD1 3.79Å; P134-Y185 HydrophobicContact CG-CE1 3.76Å; P134-Y185 HydrophobicContact CG-CG 4.3Å; H171-Y185 HydrophobicContact CB-CD1 4.31Å; H171-Y185 HydrophobicContact CB-CG 4.49Å; L172-Y185 WeakPolarHBondContact O-CA 3.19Å; L173-Y185 HydrophobicContact CB-CD1 4.01Å; L173-Y185 HydrophobicContact CB-CE1 3.79Å; L173-Y185 HydrophobicContact CD1-CE1 4.17Å; L173-Y185 HydrophobicContact CD1-CE2 4.23Å; P183-Y185 HydrophobicContact CB-CE2 4.04Å
186E94.8Very high87.9Confident35 Ų3566.3 Ų66.316%0.16433%0.334CS..EExtended strand (participates in β ladder)trans-94.2144.3167.4-70.1-64.3172.600110.8L117 H171 L172 R174 I188 L232L117-E186 HydrophobicContact CD2-CB 3.82Å; L117-E186 HydrophobicContact CD2-CG 3.6Å; H171-E186 CarbonylContact C-O 3.54Å; H171-E186 VanDerWaalsContact CA-O 3.25Å; H171-E186 WeakPolarHBondContact CA-O 3.27Å; L172-E186 PolarHBondContact N-O 3.39Å; L172-E186 PolarHBondContact O-N 3.35Å; R174-E186 HydrophobicContact CG-CG 3.9Å; R174-E186 IonicContact CZ-OE1 3.7Å; R174-E186 IonicContact NE-OE1 2.87Å; R174-E186 VanDerWaalsContact NH1-CG 3.32Å; R174-E186 IonicContact NH1-OE1 3.8Å; R174-E186 PolarHBondContact NH1-OE1 2.77Å; E186-I188 HydrophobicContact CB-CG2 4.15Å; E186-L232 HydrophobicContact CG-CD2 4.36Å
187Y95.3Very high87.2Confident100 Ų10067 Ų6739%0.39233%0.33SS..EExtended strand (participates in β ladder)trans-84122.8168.2-169-121.8000109.4Y169 H171 A233Y169-Y187 VanDerWaalsContact CB-OH 3.26Å; Y169-Y187 WeakPolarHBondContact CB-OH 3.39Å; Y169-Y187 AromaticContact CD1-CE1 3.81Å; Y169-Y187 HydrophobicContact CD1-CE1 3.81Å; Y169-Y187 HydrophobicContact CG-CE1 4.33Å; H171-Y187 AromaticContact CD2-CD2 3.96Å; H171-Y187 AromaticContact CE1-CD2 3.52Å; H171-Y187 AromaticContact ND1-CD2 3.89Å; H171-Y187 AromaticContact NE2-CD2 3.56Å; Y187-A233 HydrophobicContact CD1-CB 3.69Å; Y187-A233 HydrophobicContact CG-CB 4.43Å; Y187-A233 VanDerWaalsContact O-CB 3.22Å; Y187-A233 WeakPolarHBondContact O-CB 3.35Å; Y187-A233 PolarHBondContact O-N 3.15Å
188I95.8Very high86Confident0 Ų070.5 Ų70.50%035%0.349CS..EExtended strand (participates in β ladder)trans-127.4151.8-171.458.5160000111.9Y169 C170 L172 E186 F190 V230 R231 L232Y169-I188 VanDerWaalsContact CA-O 3.24Å; Y169-I188 WeakPolarHBondContact CA-O 3.47Å; C170-I188 PolarHBondContact N-O 3.01Å; C170-I188 VanDerWaalsContact N-O 3.15Å; C170-I188 VanDerWaalsContact O-CG1 3.25Å; C170-I188 WeakPolarHBondContact O-CG1 3.25Å; C170-I188 PolarHBondContact O-N 2.78Å; L172-I188 HydrophobicContact CB-CD1 3.54Å; L172-I188 HydrophobicContact CB-CG1 4.04Å; L172-I188 HydrophobicContact CD2-CD1 3.6Å; L172-I188 HydrophobicContact CG-CD1 4.08Å; E186-I188 HydrophobicContact CB-CG2 4.15Å; I188-F190 HydrophobicContact CD1-CD2 4.18Å; I188-F190 HydrophobicContact CD1-CE2 3.34Å; I188-F190 HydrophobicContact CD1-CZ 3.77Å; I188-F190 HydrophobicContact CG1-CE2 4.03Å; I188-V230 HydrophobicContact CB-CG1 3.96Å; I188-V230 HydrophobicContact CD1-CG1 3.53Å; I188-V230 HydrophobicContact CG1-CG1 4.3Å; I188-V230 HydrophobicContact CG2-CG1 4.39Å; I188-R231 CarbonylContact C-O 3.57Å; I188-R231 VanDerWaalsContact CA-O 3.31Å; I188-R231 WeakPolarHBondContact CA-O 3.39Å; I188-L232 HydrophobicContact CG2-CD1 4.09Å; I188-L232 HydrophobicContact CG2-CG 4.28Å
189K95.9Very high84.3Confident38 Ų3872.7 Ų72.717%0.16536%0.36CS..EExtended strand (participates in β ladder)trans-106.1129.8171.3-168-172.8-169.3-167.30109.9E167 F168 Y169 V191 V230 R231E167-K189 VanDerWaalsContact CD-CE 3.44Å; E167-K189 WeakPolarHBondContact OE1-CE 3.34Å; E167-K189 IonicContact OE1-NZ 2.65Å; E167-K189 PolarHBondContact OE1-NZ 2.74Å; E167-K189 VanDerWaalsContact OE2-CE 3.27Å; E167-K189 WeakPolarHBondContact OE2-CE 3.43Å; E167-K189 IonicContact OE2-NZ 2.68Å; E167-K189 PolarHBondContact OE2-NZ 2.84Å; F168-K189 WeakPolarHBondContact O-CA 3.26Å; Y169-K189 HydrophobicContact CD1-CB 3.78Å; Y169-K189 HydrophobicContact CD1-CG 3.97Å; Y169-K189 HydrophobicContact CD2-CG 4.47Å; Y169-K189 HydrophobicContact CE1-CB 3.6Å; Y169-K189 HydrophobicContact CE1-CD 3.91Å; Y169-K189 HydrophobicContact CE1-CG 3.59Å; Y169-K189 HydrophobicContact CE2-CD 4.35Å; Y169-K189 HydrophobicContact CE2-CG 4.11Å; Y169-K189 HydrophobicContact CG-CG 4.41Å; Y169-K189 WeakPolarHBondContact OH-CD 3.43Å; Y169-K189 WeakPolarHBondContact OH-CE 3.31Å; K189-V191 HydrophobicContact CD-CG2 3.66Å; K189-V191 HydrophobicContact CG-CG2 3.99Å; K189-V230 CarbonylContact O-C 3.51Å; K189-V230 WeakPolarHBondContact O-CA 3.5Å; K189-R231 PolarHBondContact N-O 3.17Å; K189-R231 PolarHBondContact O-N 2.88Å
190F95.7Very high82.5Confident0 Ų072.9 Ų72.90%036%0.359CS..EExtended strand (participates in β ladder)trans-93134.8163-68.7-107.5000109.1I98 L129 E167 F168 I188 F226 A228 V230I98-F190 HydrophobicContact CG2-CD1 4.22Å; I98-F190 HydrophobicContact CG2-CE1 3.93Å; L129-F190 HydrophobicContact CD1-CZ 4.38Å; L129-F190 HydrophobicContact CD2-CZ 4.42Å; E167-F190 VanDerWaalsContact CA-O 3.3Å; E167-F190 WeakPolarHBondContact CA-O 3.36Å; F168-F190 HydrophobicContact CD1-CB 3.98Å; F168-F190 HydrophobicContact CD1-CG 4.48Å; F168-F190 HydrophobicContact CD2-CB 4.45Å; F168-F190 AromaticContact CD2-CD2 3.91Å; F168-F190 HydrophobicContact CD2-CD2 3.91Å; F168-F190 HydrophobicContact CD2-CG 4.39Å; F168-F190 HydrophobicContact CE1-CB 3.75Å; F168-F190 HydrophobicContact CE1-CD1 4.32Å; F168-F190 HydrophobicContact CE1-CD2 4.32Å; F168-F190 AromaticContact CE1-CG 3.9Å; F168-F190 HydrophobicContact CE1-CG 3.9Å; F168-F190 HydrophobicContact CE2-CB 4.22Å; F168-F190 HydrophobicContact CE2-CD1 4.43Å; F168-F190 AromaticContact CE2-CD2 3.32Å; F168-F190 HydrophobicContact CE2-CD2 3.32Å; F168-F190 AromaticContact CE2-CE2 3.68Å; F168-F190 HydrophobicContact CE2-CE2 3.68Å; F168-F190 AromaticContact CE2-CG 3.76Å; F168-F190 HydrophobicContact CE2-CG 3.76Å; F168-F190 HydrophobicContact CE2-CZ 4.37Å; F168-F190 HydrophobicContact CG-CB 4.33Å; F168-F190 HydrophobicContact CZ-CB 3.87Å; F168-F190 AromaticContact CZ-CD1 3.84Å; F168-F190 HydrophobicContact CZ-CD1 3.84Å; F168-F190 AromaticContact CZ-CD2 3.57Å; F168-F190 HydrophobicContact CZ-CD2 3.57Å; F168-F190 HydrophobicContact CZ-CE1 4.23Å; F168-F190 HydrophobicContact CZ-CE2 4.01Å; F168-F190 AromaticContact CZ-CG 3.49Å; F168-F190 HydrophobicContact CZ-CG 3.49Å; F168-F190 VanDerWaalsContact CZ-CG 3.49Å; F168-F190 HydrophobicContact CZ-CZ 4.33Å; F168-F190 PolarHBondContact N-O 3.14Å; F168-F190 PolarHBondContact O-N 3.19Å; I188-F190 HydrophobicContact CD1-CD2 4.18Å; I188-F190 HydrophobicContact CD1-CE2 3.34Å; I188-F190 HydrophobicContact CD1-CZ 3.77Å; I188-F190 HydrophobicContact CG1-CE2 4.03Å; F190-F226 HydrophobicContact CB-CE1 4.08Å; F190-F226 HydrophobicContact CB-CZ 4.27Å; F190-F226 AromaticContact CD1-CE1 3.9Å; F190-F226 HydrophobicContact CD1-CE1 3.9Å; F190-F226 HydrophobicContact CG-CE1 4.36Å; F190-A228 HydrophobicContact CB-CB 4.44Å; F190-A228 HydrophobicContact CD1-CB 4.15Å; F190-V230 HydrophobicContact CD1-CG2 3.68Å; F190-V230 HydrophobicContact CE1-CG2 3.6Å; F190-V230 HydrophobicContact CG-CG2 4.3Å; F190-V230 HydrophobicContact CZ-CG2 4.14Å
191V93.4Very high80.4Confident46 Ų4672 Ų7228%0.27937%0.367SS..EExtended strand (participates in β ladder)trans-133112.5170.4-177.40000107.5E167 K189 A228 T229E167-V191 HydrophobicContact CG-CG1 4.2Å; E167-V191 HydrophobicContact CG-CG2 4.22Å; E167-V191 WeakPolarHBondContact OE1-CG1 3.22Å; E167-V191 VanDerWaalsContact OE1-CG2 3.25Å; E167-V191 WeakPolarHBondContact OE1-CG2 3.49Å; K189-V191 HydrophobicContact CD-CG2 3.66Å; K189-V191 HydrophobicContact CG-CG2 3.99Å; V191-A228 CarbonylContact O-C 3.57Å; V191-A228 VanDerWaalsContact O-CA 3.31Å; V191-A228 WeakPolarHBondContact O-CA 3.08Å; V191-T229 PolarHBondContact N-O 2.96Å; V191-T229 PolarHBondContact O-N 2.76Å
192G92.1Very high78.1Confident6 Ų671.3 Ų71.36%0.06238%0.375CS..EExtended strand (participates in β ladder)trans-167.8-178.8-171.900000114.9D165 L166 F226 I227D165-G192 CarbonylContact C-O 3.48Å; D165-G192 WeakPolarHBondContact CA-O 3.44Å; L166-G192 PolarHBondContact N-O 2.83Å; L166-G192 PolarHBondContact O-N 2.88Å; L166-G192 VanDerWaalsContact O-N 3.12Å; G192-F226 VanDerWaalsContact C-CE2 3.45Å; G192-I227 CarbonylContact C-O 3.51Å; G192-I227 WeakPolarHBondContact CA-O 3.29Å
193N88.7Confident75.7Confident30 Ų3068.1 Ų68.116%0.1637%0.373CS..EExtended strand (participates in β ladder)trans-138.4152.3176.44073.6000111.7S164 D165 R195 I227S164-N193 WeakPolarHBondContact O-CA 3.44Å; S164-N193 VanDerWaalsContact O-CB 3.23Å; S164-N193 WeakPolarHBondContact O-CB 3.47Å; D165-N193 PolarHBondContact OD1-ND2 3.02Å; N193-R195 VanDerWaalsContact OD1-CZ 3.25Å; N193-R195 PolarHBondContact OD1-NE 3.34Å; N193-R195 PolarHBondContact OD1-NH2 3.24Å; N193-I227 PolarHBondContact N-O 2.75Å; N193-I227 PolarHBondContact O-N 3.17Å
194F87.1Confident72.9Confident26 Ų2668.6 Ų68.611%0.11438%0.378CS..EExtended strand (participates in β ladder)trans-76.5132.9174.4-69.5-87.5000110.7T102 L145 H148 L166 V224 C225 F226T102-F194 HydrophobicContact CG2-CE1 4.39Å; L145-F194 WeakPolarHBondContact O-CE1 3.23Å; H148-F194 HydrophobicContact CB-CD1 3.83Å; H148-F194 HydrophobicContact CB-CD2 3.78Å; H148-F194 HydrophobicContact CB-CE1 3.81Å; H148-F194 HydrophobicContact CB-CE2 3.77Å; H148-F194 HydrophobicContact CB-CG 3.8Å; H148-F194 HydrophobicContact CB-CZ 3.78Å; H148-F194 VanDerWaalsContact CD2-CB 3.41Å; H148-F194 WeakPolarHBondContact CD2-CB 3.46Å; H148-F194 AromaticContact CD2-CD2 3.5Å; H148-F194 VanDerWaalsContact CD2-CD2 3.5Å; H148-F194 WeakPolarHBondContact CD2-CD2 3.18Å; H148-F194 AromaticContact CD2-CG 3.49Å; H148-F194 VanDerWaalsContact CD2-CG 3.49Å; H148-F194 WeakPolarHBondContact CD2-CG 3.21Å; H148-F194 AromaticContact CG-CD1 3.92Å; H148-F194 AromaticContact CG-CD2 3.79Å; H148-F194 AromaticContact CG-CG 3.57Å; L166-F194 HydrophobicContact CB-CE2 4.5Å; L166-F194 HydrophobicContact CD2-CE2 3.54Å; L166-F194 HydrophobicContact CD2-CZ 3.88Å; F194-V224 HydrophobicContact CB-CG1 4.03Å; F194-V224 HydrophobicContact CD1-CG1 4.01Å; F194-V224 HydrophobicContact CG-CG1 4.48Å; F194-C225 CarbonylContact C-O 3.48Å; F194-C225 WeakPolarHBondContact CA-O 3.41Å; F194-F226 HydrophobicContact CD1-CB 3.9Å; F194-F226 HydrophobicContact CD2-CD2 4.3Å; F194-F226 HydrophobicContact CE1-CB 3.76Å; F194-F226 HydrophobicContact CE1-CD2 4.45Å; F194-F226 HydrophobicContact CE1-CG 4.42Å; F194-F226 HydrophobicContact CE2-CD2 4.24Å; F194-F226 HydrophobicContact CG-CD2 4.44Å; F194-F226 HydrophobicContact CZ-CB 4.32Å; F194-F226 HydrophobicContact CZ-CD2 4.32Å
195R82.8Confident70.1Confident129 Ų12970.9 Ų70.949%0.48740%0.395SS..EExtended strand (participates in β ladder)trans-130.8134.5176.3-60.7-163.5-179.5-122.2-12.9110.9N193 V224 C225 I227N193-R195 VanDerWaalsContact OD1-CZ 3.25Å; N193-R195 PolarHBondContact OD1-NE 3.34Å; N193-R195 PolarHBondContact OD1-NH2 3.24Å; R195-V224 WeakPolarHBondContact O-CA 3.45Å; R195-C225 PolarHBondContact N-O 2.97Å; R195-C225 PolarHBondContact O-N 2.69Å; R195-I227 HydrophobicContact CB-CD1 4.25Å; R195-I227 HydrophobicContact CG-CD1 4.43Å
196S78.5Confident67.4Low50 Ų5074.7 Ų74.735%0.3542%0.421SS..EExtended strand (participates in β ladder)trans-84.7122.2172.867.70000110.9E223S196-E223 CarbonylContact C-O 3.51Å; S196-E223 VanDerWaalsContact CA-O 3.3Å; S196-E223 WeakPolarHBondContact CA-O 3.4Å
197Y68.9Low64.5Low64 Ų6475.9 Ų75.925%0.25144%0.444SS..EExtended strand (participates in β ladder)trans-97.8157.7169.560.7-92.4000111.6I107 E223 C225I107-Y197 HydrophobicContact CD1-CE1 3.94Å; Y197-E223 HydrophobicContact CD2-CB 4.28Å; Y197-E223 HydrophobicContact CE1-CB 4.1Å; Y197-E223 HydrophobicContact CE1-CG 4.17Å; Y197-E223 HydrophobicContact CE2-CB 3.71Å; Y197-E223 HydrophobicContact CE2-CG 4.16Å; Y197-E223 VanDerWaalsContact CE2-OE2 3.31Å; Y197-E223 WeakPolarHBondContact CE2-OE2 3.31Å; Y197-E223 VanDerWaalsContact CZ-OE2 3.25Å; Y197-E223 PolarHBondContact N-O 2.91Å; Y197-E223 PolarHBondContact O-N 2.97Å; Y197-E223 VanDerWaalsContact OH-CG 3.29Å; Y197-E223 WeakPolarHBondContact OH-CG 3.31Å; Y197-E223 PolarHBondContact OH-OE2 3.19Å; Y197-C225 HydrophobicContact CD1-CB 4.42Å; Y197-C225 HydrophobicContact CE1-CB 4.07Å
198N56.5Low61.3Low106 Ų10681.2 Ų81.257%0.56747%0.469SS*.  trans-123.1105.3-179.3-63.3-97.6000108.7V200N198-V200 PolarHBondContact O-N 2.95Å
199N43.1Very low58.6Low108 Ų10887.5 Ų87.558%0.57850%0.503SS*.  trans37.773.2164.2-67.8-91.5000115.6
200V37.3Very low55.4Low116 Ų11693.2 Ų93.270%0.70354%0.535SS*.PPolyproline II helixtrans-65.2136.5145.6-175.10000106.3N198 S202N198-V200 PolarHBondContact O-N 2.95Å; V200-S202 PolarHBondContact O-N 3.38Å
201P35.8Very low52.6Low117 Ų11798.5 Ų98.576%0.7657%0.567SS**PPolyproline II helixtrans-58.5126.8171-19.832000108.7
202S35.1Very low50Low101 Ų101104.6 Ų104.671%0.70660%0.597SS**PPolyproline II helixtrans-57.513817855.30000109.9V200 S204V200-S202 PolarHBondContact O-N 3.38Å; S202-S204 PolarHBondContact O-N 2.92Å
203P34.6Very low47.1Very low114 Ų114110 Ų11074%0.7463%0.634SS**PPolyproline II helixtrans-58.4117.2170.425.3-32.5000107.5C205P203-C205 VanDerWaalsContact C-N 3.34Å; P203-C205 PolarHBondContact O-N 3.15Å; P203-C205 PolarHBondContact O-SG 3.22Å
204S33.1Very low44.4Very low97 Ų97119.7 Ų119.768%0.67867%0.669SS**  trans-70.992.8-175.2580000109.3S202 N206S202-S204 PolarHBondContact O-N 2.92Å; S204-N206 PolarHBondContact O-N 3.49Å
205C32.8Very low41.9Very low121 Ų121124.9 Ų124.982%0.81871%0.705SS**  trans-56.6106.6177.8-64.10000109P203 G207P203-C205 VanDerWaalsContact C-N 3.34Å; P203-C205 PolarHBondContact O-N 3.15Å; P203-C205 PolarHBondContact O-SG 3.22Å; C205-G207 VanDerWaalsContact C-N 3.27Å; C205-G207 PolarHBondContact O-N 2.98Å
206N38.5Very low39.5Very low164 Ų164123.8 Ų123.888%0.87772%0.716SS**  trans-76.378-173.6-91.7-25.7000111.6S204S204-N206 PolarHBondContact O-N 3.49Å
207G33.8Very low37.3Very low61 Ų61133.1 Ų133.163%0.62974%0.744SS**  trans78111.6153.200000117.1C205C205-G207 VanDerWaalsContact C-N 3.27Å; C205-G207 PolarHBondContact O-N 2.98Å
208F27.9Very low35.6Very low211 Ų211135.3 Ų135.393%0.92576%0.764SS**  -145.6151.796.1-134.1-101.6000111
209D38.8Very low34.7Very low133 Ų133135.5 Ų135.571%0.71177%0.77SS**  trans-81.4124.4178.4-170.21.5000109.5
210N29.5Very low34.8Very low158 Ų158138 Ų13885%0.84578%0.783SS**  trans-142.3107.2171.2-161.122.1000110.2
211T36.9Very low35.3Very low110 Ų110134.5 Ų134.568%0.67577%0.771SS**  trans-89.9113.7-173.136.90000110.9
212L37.6Very low36.4Very low174 Ų174135.8 Ų135.891%0.91176%0.764SS**  trans161.384.8142-87.9160.4000113.7
213S32.8Very low38.1Very low120 Ų120136 Ų13684%0.83975%0.754SS**  trans-161104.8153.952.30000114.5
214R30.8Very low40.5Very low234 Ų234131 Ų13188%0.88372%0.722SS**  trans47.2120.6150.6-159.2175.6-167.9171.62.7119.9C216R214-C216 PolarHBondContact O-N 3.32Å
215P34.9Very low43.2Very low134 Ų134126.7 Ų126.787%0.8769%0.691SS**  trans-78.192.717632.9-34.8000112.5
216C32.1Very low46Very low107 Ų107121 Ų12172%0.72365%0.652SS**  trans-96.6100.7158.5-163.60000109.3R214 V218R214-C216 PolarHBondContact O-N 3.32Å; C216-V218 PolarHBondContact O-N 3.28Å
217R33.1Very low48.6Very low245 Ų245116.1 Ų116.193%0.92563%0.626SS**  trans-83.471.4177.3-161.3-172.7-157.3-171.48.1109.6
218V33.3Very low51.5Low111 Ų111113.4 Ų113.467%0.67360%0.597SS**  trans-54.7133.9173-169.30000108.2C216C216-V218 PolarHBondContact O-N 3.28Å
219P36.4Very low54.8Low109 Ų109105.6 Ų105.671%0.70857%0.567SS**  trans-59.6162.1176-23.734.6000111.8G221P219-G221 PolarHBondContact O-N 3.42Å
220L46.2Very low57.5Low161 Ų16199.2 Ų99.284%0.84353%0.533SS*.SBendtrans-6976167.3-170.975.1000109.1
221G47.9Very low60.7Low43 Ų4396.4 Ų96.444%0.44351%0.51SS..  trans-101.4178-168.800000113.5P219P219-G221 PolarHBondContact O-N 3.42Å
222K57.3Low63.4Low143 Ų14391.7 Ų91.762%0.62248%0.481SS*.  trans-84.1120.1165.5-64.1-179-179.6178.50107.9
223E72.8Confident65.9Low107 Ų10786 Ų8650%0.546%0.459SS..EExtended strand (participates in β ladder)trans-84.4147.6172.9-159.8157.4-126.200108.9S196 Y197S196-E223 CarbonylContact C-O 3.51Å; S196-E223 VanDerWaalsContact CA-O 3.3Å; S196-E223 WeakPolarHBondContact CA-O 3.4Å; Y197-E223 HydrophobicContact CD2-CB 4.28Å; Y197-E223 HydrophobicContact CE1-CB 4.1Å; Y197-E223 HydrophobicContact CE1-CG 4.17Å; Y197-E223 HydrophobicContact CE2-CB 3.71Å; Y197-E223 HydrophobicContact CE2-CG 4.16Å; Y197-E223 VanDerWaalsContact CE2-OE2 3.31Å; Y197-E223 WeakPolarHBondContact CE2-OE2 3.31Å; Y197-E223 VanDerWaalsContact CZ-OE2 3.25Å; Y197-E223 PolarHBondContact N-O 2.91Å; Y197-E223 PolarHBondContact O-N 2.97Å; Y197-E223 VanDerWaalsContact OH-CG 3.29Å; Y197-E223 WeakPolarHBondContact OH-CG 3.31Å; Y197-E223 PolarHBondContact OH-OE2 3.19Å
224V83.3Confident68.3Low9 Ų984.3 Ų84.36%0.05544%0.444CS..EExtended strand (participates in β ladder)trans-123.9127-172.6-179.10000109T102 M149 F194 R195T102-V224 HydrophobicContact CG2-CB 4.27Å; T102-V224 HydrophobicContact CG2-CG1 4.39Å; T102-V224 PolarHBondContact N-O 2.87Å; M149-V224 HydrophobicContact CE-CB 4Å; M149-V224 HydrophobicContact CE-CG2 3.84Å; F194-V224 HydrophobicContact CB-CG1 4.03Å; F194-V224 HydrophobicContact CD1-CG1 4.01Å; F194-V224 HydrophobicContact CG-CG1 4.48Å; R195-V224 WeakPolarHBondContact O-CA 3.45Å
225C90.3Very high70.7Confident6 Ų676.5 Ų76.54%0.04142%0.423CS..EExtended strand (participates in β ladder)trans-113.9145.6169.556.40000110.7V100 I107 F194 R195 Y197V100-C225 CarbonylContact O-C 3.57Å; V100-C225 WeakPolarHBondContact O-CA 3.2Å; V100-C225 WeakPolarHBondContact O-CB 3.14Å; I107-C225 HydrophobicContact CD1-CB 3.8Å; F194-C225 CarbonylContact C-O 3.48Å; F194-C225 WeakPolarHBondContact CA-O 3.41Å; R195-C225 PolarHBondContact N-O 2.97Å; R195-C225 PolarHBondContact O-N 2.69Å; Y197-C225 HydrophobicContact CD1-CB 4.42Å; Y197-C225 HydrophobicContact CE1-CB 4.07Å
226F92.3Very high72.8Confident1 Ų172 Ų720%0.00439%0.39CS..EExtended strand (participates in β ladder)trans-79.2121.4159.6179.7-125000107.8A99 V100 L145 L166 F168 F190 G192 F194 A228A99-F226 WeakPolarHBondContact CA-O 3.37Å; V100-F226 PolarHBondContact N-O 2.96Å; V100-F226 PolarHBondContact O-N 2.94Å; L145-F226 HydrophobicContact CD2-CB 3.94Å; L145-F226 HydrophobicContact CD2-CD1 3.99Å; L145-F226 HydrophobicContact CD2-CG 4.23Å; L166-F226 HydrophobicContact CB-CE2 3.85Å; L166-F226 HydrophobicContact CB-CZ 4.4Å; L166-F226 HydrophobicContact CD2-CD2 4.06Å; L166-F226 HydrophobicContact CD2-CE2 3.66Å; L166-F226 HydrophobicContact CD2-CZ 3.94Å; L166-F226 HydrophobicContact CG-CE2 3.92Å; L166-F226 HydrophobicContact CG-CZ 4.07Å; F168-F226 HydrophobicContact CD1-CE1 4.45Å; F168-F226 HydrophobicContact CD1-CZ 4.44Å; F168-F226 HydrophobicContact CE1-CD1 4.32Å; F168-F226 AromaticContact CE1-CE1 3.5Å; F168-F226 HydrophobicContact CE1-CE1 3.5Å; F168-F226 AromaticContact CE1-CZ 3.89Å; F168-F226 HydrophobicContact CE1-CZ 3.89Å; F168-F226 HydrophobicContact CZ-CE1 4.15Å; F190-F226 HydrophobicContact CB-CE1 4.08Å; F190-F226 HydrophobicContact CB-CZ 4.27Å; F190-F226 AromaticContact CD1-CE1 3.9Å; F190-F226 HydrophobicContact CD1-CE1 3.9Å; F190-F226 HydrophobicContact CG-CE1 4.36Å; G192-F226 VanDerWaalsContact C-CE2 3.45Å; F194-F226 HydrophobicContact CD1-CB 3.9Å; F194-F226 HydrophobicContact CD2-CD2 4.3Å; F194-F226 HydrophobicContact CE1-CB 3.76Å; F194-F226 HydrophobicContact CE1-CD2 4.45Å; F194-F226 HydrophobicContact CE1-CG 4.42Å; F194-F226 HydrophobicContact CE2-CD2 4.24Å; F194-F226 HydrophobicContact CG-CD2 4.44Å; F194-F226 HydrophobicContact CZ-CB 4.32Å; F194-F226 HydrophobicContact CZ-CD2 4.32Å; F226-A228 HydrophobicContact CD1-CB 4.16Å; F226-A228 HydrophobicContact CE1-CB 3.54Å; F226-A228 HydrophobicContact CE2-CB 4.37Å; F226-A228 HydrophobicContact CZ-CB 3.67Å
227I93.5Very high74.8Confident62 Ų6275.3 Ų75.332%0.31839%0.393SS..EExtended strand (participates in β ladder)trans-110.9122.3174.8-53.5-176.4000107.5A99 G192 N193 R195A99-I227 HydrophobicContact CB-CG1 4.05Å; G192-I227 CarbonylContact C-O 3.51Å; G192-I227 WeakPolarHBondContact CA-O 3.29Å; N193-I227 PolarHBondContact N-O 2.75Å; N193-I227 PolarHBondContact O-N 3.17Å; R195-I227 HydrophobicContact CB-CD1 4.25Å; R195-I227 HydrophobicContact CG-CD1 4.43Å
228A94.8Very high76.9Confident3 Ų367.1 Ų67.13%0.02537%0.367CS..EExtended strand (participates in β ladder)trans-139147.8-172.900000113I97 I98 F190 V191 F226I97-A228 WeakPolarHBondContact CA-O 3.3Å; I98-A228 HydrophobicContact CG2-CB 4.27Å; I98-A228 PolarHBondContact N-O 2.96Å; I98-A228 PolarHBondContact O-N 3.46Å; F190-A228 HydrophobicContact CB-CB 4.44Å; F190-A228 HydrophobicContact CD1-CB 4.15Å; V191-A228 CarbonylContact O-C 3.57Å; V191-A228 VanDerWaalsContact O-CA 3.31Å; V191-A228 WeakPolarHBondContact O-CA 3.08Å; F226-A228 HydrophobicContact CD1-CB 4.16Å; F226-A228 HydrophobicContact CE1-CB 3.54Å; F226-A228 HydrophobicContact CE2-CB 4.37Å; F226-A228 HydrophobicContact CZ-CB 3.67Å
229T95.9Very high79Confident47 Ų4763 Ų6329%0.28834%0.34SS..EExtended strand (participates in β ladder)trans-83.3115.3155.9-54.90000107.4L90 V191 R231L90-T229 HydrophobicContact CD2-CG2 3.89Å; V191-T229 PolarHBondContact N-O 2.96Å; V191-T229 PolarHBondContact O-N 2.76Å; T229-R231 HydrophobicContact CG2-CG 4.12Å
230V96.6Very high80.9Confident0 Ų059.7 Ų59.70%032%0.315CS..EExtended strand (participates in β ladder)trans-83.3142.6166.9-174.40000108.5G95 F96 I98 I188 K189 F190G95-V230 CarbonylContact C-O 3.56Å; G95-V230 WeakPolarHBondContact CA-O 3.39Å; F96-V230 HydrophobicContact CD1-CB 3.98Å; F96-V230 HydrophobicContact CD1-CG1 4.19Å; F96-V230 HydrophobicContact CD2-CB 4.07Å; F96-V230 HydrophobicContact CD2-CG2 4.18Å; F96-V230 HydrophobicContact CE1-CB 3.69Å; F96-V230 HydrophobicContact CE1-CG1 3.47Å; F96-V230 VanDerWaalsContact CE1-CG1 3.47Å; F96-V230 HydrophobicContact CE1-CG2 4.43Å; F96-V230 HydrophobicContact CE2-CB 3.78Å; F96-V230 HydrophobicContact CE2-CG1 4.19Å; F96-V230 HydrophobicContact CE2-CG2 3.67Å; F96-V230 HydrophobicContact CG-CB 4.18Å; F96-V230 HydrophobicContact CZ-CB 3.59Å; F96-V230 HydrophobicContact CZ-CG1 3.49Å; F96-V230 VanDerWaalsContact CZ-CG1 3.49Å; F96-V230 HydrophobicContact CZ-CG2 3.83Å; F96-V230 PolarHBondContact N-O 3.4Å; F96-V230 PolarHBondContact O-N 2.88Å; I98-V230 HydrophobicContact CB-CG2 4.19Å; I98-V230 HydrophobicContact CG2-CG2 3.5Å; I188-V230 HydrophobicContact CB-CG1 3.96Å; I188-V230 HydrophobicContact CD1-CG1 3.53Å; I188-V230 HydrophobicContact CG1-CG1 4.3Å; I188-V230 HydrophobicContact CG2-CG1 4.39Å; K189-V230 CarbonylContact O-C 3.51Å; K189-V230 WeakPolarHBondContact O-CA 3.5Å; F190-V230 HydrophobicContact CD1-CG2 3.68Å; F190-V230 HydrophobicContact CE1-CG2 3.6Å; F190-V230 HydrophobicContact CG-CG2 4.3Å; F190-V230 HydrophobicContact CZ-CG2 4.14Å
231R95.4Very high82.1Confident98 Ų9855.6 Ų55.637%0.3729%0.293SS..EExtended strand (participates in β ladder)trans-137.8142175.7-62.3-179.959.1-166.5-3.4110.7L93 D94 I188 K189 T229L93-R231 HydrophobicContact CB-CG 4.46Å; L93-R231 PolarHBondContact O-NE 2.9Å; L93-R231 PolarHBondContact O-NH2 2.94Å; D94-R231 WeakPolarHBondContact O-CA 2.94Å; I188-R231 CarbonylContact C-O 3.57Å; I188-R231 VanDerWaalsContact CA-O 3.31Å; I188-R231 WeakPolarHBondContact CA-O 3.39Å; K189-R231 PolarHBondContact N-O 3.17Å; K189-R231 PolarHBondContact O-N 2.88Å; T229-R231 HydrophobicContact CG2-CG 4.12Å
232L93.4Very high82.9Confident11 Ų1154.2 Ų54.26%0.05828%0.277CS..EExtended strand (participates in β ladder)trans-69.3140.3170.2-84.160.3000110.1D94 L116 L117 E186 I188 Q236D94-L232 HydrophobicContact CB-CB 4.32Å; D94-L232 PolarHBondContact O-N 3.45Å; L116-L232 HydrophobicContact CB-CD1 3.97Å; L116-L232 HydrophobicContact CB-CD2 4.44Å; L116-L232 HydrophobicContact CD1-CD1 4.31Å; L116-L232 HydrophobicContact CD2-CD1 4.39Å; L116-L232 HydrophobicContact CD2-CD2 4.32Å; L116-L232 HydrophobicContact CG-CD1 4.46Å; L117-L232 HydrophobicContact CD2-CD1 4.37Å; E186-L232 HydrophobicContact CG-CD2 4.36Å; I188-L232 HydrophobicContact CG2-CD1 4.09Å; I188-L232 HydrophobicContact CG2-CG 4.28Å; L232-Q236 VanDerWaalsContact CD2-CD 3.46Å; L232-Q236 HydrophobicContact CD2-CG 3.87Å
233A89.9Confident83Confident54 Ų5451.2 Ų51.245%0.44627%0.266SS..SBendtrans-78.2-27.8174.200000112.2Y187Y187-A233 HydrophobicContact CD1-CB 3.69Å; Y187-A233 HydrophobicContact CG-CB 4.43Å; Y187-A233 VanDerWaalsContact O-CB 3.22Å; Y187-A233 WeakPolarHBondContact O-CB 3.35Å; Y187-A233 PolarHBondContact O-N 3.15Å
234T83.9Confident82.4Confident85 Ų8548.6 Ų48.652%0.52126%0.258SS..SBendtrans-97.4120.2172.8-530000109
235P81.8Confident81.2Confident71 Ų7155.7 Ų55.746%0.46130%0.295SS..  trans-72.7144-175.928.4-34.6000112.8D94 F237D94-P235 WeakPolarHBondContact OD2-CA 3.39Å; D94-P235 WeakPolarHBondContact OD2-CB 3.13Å; P235-F237 HydrophobicContact CB-CE2 4.31Å; P235-F237 HydrophobicContact CB-CZ 4.22Å; P235-F237 HydrophobicContact CG-CE2 3.99Å; P235-F237 HydrophobicContact CG-CZ 4.04Å
236Q78.4Confident79.8Confident38 Ų3862 Ų6218%0.17832%0.324CS..  trans-114.487.9-176.3-68.1-164.3-16.800111.9D94 L232 L238 K239D94-Q236 PolarHBondContact OD2-N 2.74Å; L232-Q236 VanDerWaalsContact CD2-CD 3.46Å; L232-Q236 HydrophobicContact CD2-CG 3.87Å; Q236-L238 PolarHBondContact O-N 3.25Å; Q236-K239 HydrophobicContact CB-CG 4.34Å; Q236-K239 WeakPolarHBondContact O-CE 3.49Å
237F74.3Confident78Confident177 Ų17767.7 Ų67.778%0.77636%0.361SS*.SBendtrans-68.6-12.2-178.7-58.8-75.5000115.6P235P235-F237 HydrophobicContact CB-CE2 4.31Å; P235-F237 HydrophobicContact CB-CZ 4.22Å; P235-F237 HydrophobicContact CG-CE2 3.99Å; P235-F237 HydrophobicContact CG-CZ 4.04Å
238L77.7Confident76.4Confident74 Ų7471.8 Ų71.839%0.38738%0.383SS..SBendtrans-135.5115.1-179.4-126.768.4000106.9Q236 L317 Q321 W323Q236-L238 PolarHBondContact O-N 3.25Å; L238-L317 HydrophobicContact CD1-CD1 4.31Å; L238-L317 HydrophobicContact CD2-CD1 4.31Å; L238-L317 HydrophobicContact CG-CD1 4.29Å; L238-Q321 HydrophobicContact CD1-CB 3.83Å; L238-Q321 WeakPolarHBondContact CD1-O 3.45Å; L238-W323 HydrophobicContact CD2-CZ2 3.64Å
239K76Confident75.7Confident23 Ų2374.6 Ų74.610%0.140%0.395CS..EExtended strand (participates in β ladder)trans-123.8150.6-174-65.1176.2-173.31680111E91 D94 L116 Q236 Q322 W323E91-K239 PolarHBondContact O-NZ 3.29Å; D94-K239 WeakPolarHBondContact OD1-CE 3.14Å; D94-K239 IonicContact OD1-NZ 3.43Å; D94-K239 PolarHBondContact OD1-NZ 3.19Å; L116-K239 HydrophobicContact CD2-CD 4.45Å; Q236-K239 HydrophobicContact CB-CG 4.34Å; Q236-K239 WeakPolarHBondContact O-CE 3.49Å; K239-Q322 CarbonylContact O-C 3.57Å; K239-Q322 WeakPolarHBondContact O-CA 3.35Å; K239-W323 PolarHBondContact O-N 3.49Å
240E77.4Confident75.6Confident40 Ų4075.3 Ų75.319%0.18740%0.395CS..EExtended strand (participates in β ladder)trans-74.4143.9165.7-61.3-176.4-175.600109.6P115 R315 W323 W325P115-E240 WeakPolarHBondContact CB-O 3.29Å; E240-R315 WeakPolarHBondContact OE1-CD 3.07Å; E240-R315 IonicContact OE1-CZ 3.41Å; E240-R315 IonicContact OE1-NE 2.7Å; E240-R315 IonicContact OE1-NH1 2.64Å; E240-R315 PolarHBondContact OE1-NH1 3.05Å; E240-W323 CarbonylContact C-O 3.51Å; E240-W323 VanDerWaalsContact CA-O 3.29Å; E240-W323 WeakPolarHBondContact CA-O 3.28Å; E240-W323 HydrophobicContact CG-CB 4.06Å; E240-W325 PolarHBondContact OE2-NE1 3.37Å
241M71.4Confident75.6Confident75 Ų7575.3 Ų75.337%0.36940%0.396SS..EExtended strand (participates in β ladder)trans-100.2107170.8-174.9150.668.700108.2W323 I324M241-W323 PolarHBondContact N-O 2.9Å; M241-I324 HydrophobicContact CB-CG2 4.17Å; M241-I324 HydrophobicContact CE-CG2 3.71Å
242C63.5Low75.7Confident15 Ų1572.1 Ų72.110%0.10139%0.387CS..  trans-95.4-13.9-168.3-55.60000114.4T114T114-C242 HydrophobicContact CG2-CB 3.69Å
243I60.9Low76Confident79 Ų7971.6 Ų71.641%0.40538%0.384SS..  trans-99.9131.5-175.3-53.4174.6000108.6D111D111-I243 HydrophobicContact CB-CD1 3.79Å; D111-I243 HydrophobicContact CB-CG1 4.34Å
244V60.2Low76.4Confident53 Ų5373 Ų7332%0.32138%0.378SS..  trans-124.492.8176.4-176.10000106.9E246 V350V244-E246 WeakPolarHBondContact CG1-O 3.46Å; V244-V350 HydrophobicContact CG1-CG1 4.3Å; V244-V350 HydrophobicContact CG2-CG1 3.73Å
245D57.9Low77.1Confident158 Ų15868.9 Ų68.985%0.84535%0.353SS*.  trans-83.6-20.5-169-148.428.4000112.7
246E61Low77.9Confident139 Ų13966.5 Ų66.565%0.6534%0.338SS*.SBendtrans-108.2134.7172.1-66.7-152.3155.400112.8V244 L248V244-E246 WeakPolarHBondContact CG1-O 3.46Å; E246-L248 PolarHBondContact O-N 3.39Å
247P54.6Low78.7Confident120 Ų12068.8 Ų68.878%0.77935%0.351SS*.THydrogen-bonded Turntrans-74.4116.1-177.529-34.2000112.5
248L58.7Low79.8Confident147 Ų14766.8 Ų66.877%0.7734%0.344SS*.THydrogen-bonded Turntrans65.961.3178.1-6880.4000114.4E246 E250E246-L248 PolarHBondContact O-N 3.39Å; L248-E250 PolarHBondContact O-N 2.97Å
249E80.9Confident80.8Confident62 Ų6263.8 Ų63.829%0.2933%0.327SS..  trans-58.999.2149-71.7-160.2137.400109.9I271 V350E249-I271 HydrophobicContact CB-CD1 3.86Å; E249-I271 HydrophobicContact CB-CG1 4.14Å; E249-I271 HydrophobicContact CG-CD1 4.44Å; E249-I271 HydrophobicContact CG-CG1 4.29Å; E249-V350 HydrophobicContact CB-CB 4.17Å; E249-V350 HydrophobicContact CB-CG2 3.78Å; E249-V350 WeakPolarHBondContact O-CG2 3.31Å; E249-V350 PolarHBondContact O-N 3Å
250E93.2Very high81.9Confident62 Ų6266.5 Ų66.529%0.2934%0.339SS..EExtended strand (participates in β ladder)trans-121.5142.9167.563.1134.5-111.400112.1L248 R267 T347 H348L248-E250 PolarHBondContact O-N 2.97Å; E250-R267 WeakPolarHBondContact O-CD 3.33Å; E250-R267 PolarHBondContact O-NE 3.09Å; E250-R267 PolarHBondContact O-NH1 3.2Å; E250-R267 VanDerWaalsContact O-NH1 3.15Å; E250-R267 IonicContact OE1-CZ 3.66Å; E250-R267 IonicContact OE1-NH1 3.01Å; E250-R267 PolarHBondContact OE1-NH1 3.37Å; E250-R267 IonicContact OE1-NH2 2.78Å; E250-R267 PolarHBondContact OE1-NH2 3.17Å; E250-T347 WeakPolarHBondContact OE2-CG2 3.23Å; E250-H348 CarbonylContact C-O 3.53Å; E250-H348 WeakPolarHBondContact CA-O 3.3Å; E250-H348 VanDerWaalsContact CB-O 3.31Å; E250-H348 WeakPolarHBondContact CB-O 3.43Å
251F96.3Very high82.9Confident1 Ų164.8 Ų64.80%0.00433%0.331CS..EExtended strand (participates in β ladder)trans-134.5154176.168.9-87.5000111.7L264 R267 A268 I271 I272 L326 H348F251-L264 HydrophobicContact CD2-CD1 4.05Å; F251-L264 HydrophobicContact CE2-CD1 4.11Å; F251-R267 HydrophobicContact CB-CB 4.11Å; F251-A268 HydrophobicContact CB-CB 3.9Å; F251-A268 HydrophobicContact CD2-CB 3.5Å; F251-A268 VanDerWaalsContact CD2-CB 3.5Å; F251-A268 HydrophobicContact CE2-CB 4.11Å; F251-A268 HydrophobicContact CG-CB 3.77Å; F251-I271 HydrophobicContact CB-CD1 4.14Å; F251-I271 HydrophobicContact CD1-CB 4.48Å; F251-I271 HydrophobicContact CD1-CD1 3.79Å; F251-I271 HydrophobicContact CD1-CG2 4.32Å; F251-I271 HydrophobicContact CE1-CG2 4.27Å; F251-I271 HydrophobicContact CG-CD1 4.4Å; F251-I272 HydrophobicContact CE1-CG2 4.07Å; F251-I272 HydrophobicContact CE2-CD1 4.2Å; F251-I272 HydrophobicContact CZ-CD1 4.26Å; F251-I272 HydrophobicContact CZ-CG2 3.95Å; F251-L326 HydrophobicContact CE1-CD1 4.11Å; F251-L326 HydrophobicContact CE1-CD2 4.13Å; F251-L326 HydrophobicContact CZ-CD1 3.94Å; F251-H348 HydrophobicContact CD1-CB 3.99Å; F251-H348 HydrophobicContact CD2-CB 4.29Å; F251-H348 AromaticContact CD2-CD2 3.54Å; F251-H348 HydrophobicContact CE1-CB 3.68Å; F251-H348 HydrophobicContact CE2-CB 4.01Å; F251-H348 AromaticContact CE2-CD2 3.23Å; F251-H348 WeakPolarHBondContact CE2-CD2 3.4Å; F251-H348 AromaticContact CE2-CG 3.72Å; F251-H348 AromaticContact CE2-NE2 3.94Å; F251-H348 HydrophobicContact CG-CB 4.3Å; F251-H348 HydrophobicContact CZ-CB 3.7Å; F251-H348 AromaticContact CZ-CD2 3.78Å; F251-H348 AromaticContact CZ-CG 3.76Å; F251-H348 PolarHBondContact N-O 3.01Å; F251-H348 PolarHBondContact O-CD2 3.28Å; F251-H348 PolarHBondContact O-N 3.4Å
252T98.2Very high84.2Confident30 Ų3065.6 Ų65.618%0.18434%0.336CS..EExtended strand (participates in β ladder)trans-113.6134.2-177.7-54.90000111.3D265 R267 V345 C346T252-D265 VanDerWaalsContact N-CG 3.34Å; T252-D265 PolarHBondContact N-OD2 3.28Å; T252-D265 WeakPolarHBondContact O-CB 3.42Å; T252-D265 PolarHBondContact O-N 3.07Å; T252-R267 PolarHBondContact OG1-NH2 3.18Å; T252-R267 VanDerWaalsContact OG1-NH2 3.1Å; T252-V345 HydrophobicContact CG2-CG1 4.17Å; T252-C346 WeakPolarHBondContact CA-O 3.47Å
253S98.7Very high85.9Confident0 Ų068.6 Ų68.60%035%0.348CS..EExtended strand (participates in β ladder)trans-124.4169.1169.175.70000111H255 F263 C346 H348S253-H255 PolarHBondContact OG-CD2 3.11Å; S253-H255 PolarHBondContact OG-NE2 2.81Å; S253-H255 VanDerWaalsContact OG-NE2 3.15Å; S253-F263 CarbonylContact C-O 3.47Å; S253-F263 VanDerWaalsContact CA-O 3.25Å; S253-F263 WeakPolarHBondContact CA-O 3.48Å; S253-F263 WeakPolarHBondContact CB-O 3.45Å; S253-C346 PolarHBondContact N-O 3.39Å; S253-C346 PolarHBondContact O-N 3.42Å; S253-C346 WeakPolarHBondContact OG-CB 3.46Å; S253-H348 PolarHBondContact OG-NE2 2.98Å
254R98.7Very high87.6Confident83 Ų8365.1 Ų65.131%0.31333%0.33SS..EExtended strand (participates in β ladder)trans-131.9138.6164.2-58.4-178-78.1149.3-2.1109.7L262 F263 F343 I344 V345R254-L262 PolarHBondContact O-N 2.8Å; R254-F263 HydrophobicContact CB-CB 3.99Å; R254-F263 HydrophobicContact CG-CB 4.23Å; R254-F263 HydrophobicContact CG-CD1 4.19Å; R254-F263 PolarHBondContact N-O 3.07Å; R254-F263 PolarHBondContact O-N 3.32Å; R254-F343 HydrophobicContact CB-CD2 4.3Å; R254-F343 HydrophobicContact CG-CD2 4.26Å; R254-F343 HydrophobicContact CG-CE2 4.47Å; R254-I344 CarbonylContact C-O 3.51Å; R254-I344 WeakPolarHBondContact CA-O 3.42Å; R254-I344 WeakPolarHBondContact CB-O 3.39Å; R254-V345 HydrophobicContact CG-CG1 4.49Å; R254-V345 HydrophobicContact CG-CG2 4.16Å
255H98.8Very high89.4Confident0 Ų063.3 Ų63.30%032%0.319CS..EExtended strand (participates in β ladder)trans-117.2150.2-179.1-67.7-106.8000111.6S253 W259 K260 F261 F343 I344S253-H255 PolarHBondContact OG-CD2 3.11Å; S253-H255 PolarHBondContact OG-NE2 2.81Å; S253-H255 VanDerWaalsContact OG-NE2 3.15Å; H255-W259 HydrophobicContact CB-CE3 4.41Å; H255-W259 PolarHBondContact ND1-O 3.02Å; H255-K260 CarbonylContact C-O 3.57Å; H255-K260 VanDerWaalsContact CA-O 3.23Å; H255-K260 WeakPolarHBondContact CA-O 3.44Å; H255-F261 AromaticContact CE1-CD1 3.5Å; H255-F261 AromaticContact CE1-CE1 3.34Å; H255-F261 WeakPolarHBondContact CE1-CE1 3.37Å; H255-F261 AromaticContact CE1-CE2 3.94Å; H255-F261 AromaticContact CE1-CG 3.88Å; H255-F261 AromaticContact CE1-CZ 3.58Å; H255-F261 AromaticContact NE2-CD1 3.66Å; H255-F261 AromaticContact NE2-CE1 3.39Å; H255-F261 WeakPolarHBondContact NE2-CE1 3.37Å; H255-F261 AromaticContact NE2-CZ 4Å; H255-F343 WeakPolarHBondContact O-CA 3.21Å; H255-F343 WeakPolarHBondContact O-CB 3.49Å; H255-I344 HydrophobicContact CB-CB 4.44Å; H255-I344 PolarHBondContact N-O 2.59Å; H255-I344 PolarHBondContact O-N 2.77Å
256S98.4Very high91.2Very high20 Ų2063.3 Ų63.314%0.1431%0.313CS..  trans-69.6169.3165.775.40000110.7E258 W259 K260 I344S256-E258 PolarHBondContact O-N 3.33Å; S256-E258 PolarHBondContact OG-N 2.77Å; S256-W259 WeakPolarHBondContact O-CA 3.41Å; S256-W259 PolarHBondContact O-N 3.35Å; S256-K260 PolarHBondContact N-O 3.01Å; S256-K260 PolarHBondContact OG-N 3.35Å; S256-I344 WeakPolarHBondContact O-CD1 3.47Å
257L96.9Very high92.8Very high86 Ų8660.5 Ų60.545%0.4530%0.297SS..THydrogen-bonded Turntrans-67.1-11.4173.1-49.7-179000112.9W259 P341 I344L257-W259 VanDerWaalsContact C-N 3.28Å; L257-P341 HydrophobicContact CD1-CB 4.01Å; L257-P341 HydrophobicContact CD1-CG 3.74Å; L257-P341 HydrophobicContact CD2-CB 4.03Å; L257-I344 HydrophobicContact CD2-CD1 3.88Å
258E96.7Very high94.8Very high135 Ų13554.8 Ų54.863%0.63126%0.259SS*.THydrogen-bonded Turntrans-90.112.3168.7-54.7-177.3158.500112.4S256 K260S256-E258 PolarHBondContact O-N 3.33Å; S256-E258 PolarHBondContact OG-N 2.77Å; E258-K260 HydrophobicContact CB-CD 4.34Å; E258-K260 HydrophobicContact CB-CG 4.43Å; E258-K260 PolarHBondContact O-N 3.27Å; E258-K260 WeakPolarHBondContact OE2-CE 3.43Å; E258-K260 IonicContact OE2-NZ 3.67Å; E258-K260 PolarHBondContact OE2-NZ 3.36Å
259W98.2Very high96.5Very high11 Ų1149 Ų494%0.04223%0.231CC..SBendtrans62.515.9-176.7-146.2-113.2000116.1H255 S256 L257 G284 Y285 Y288 H300 L303 Y330 I344H255-W259 HydrophobicContact CB-CE3 4.41Å; H255-W259 PolarHBondContact ND1-O 3.02Å; S256-W259 WeakPolarHBondContact O-CA 3.41Å; S256-W259 PolarHBondContact O-N 3.35Å; L257-W259 VanDerWaalsContact C-N 3.28Å; W259-G284 PolarHBondContact O-N 3.43Å; W259-Y285 HydrophobicContact CB-CD2 4.18Å; W259-Y285 HydrophobicContact CB-CE2 3.71Å; W259-Y285 AromaticContact CD1-CD2 3.78Å; W259-Y285 AromaticContact CD1-CE2 3.59Å; W259-Y285 HydrophobicContact CG-CD2 4.25Å; W259-Y285 AromaticContact CG-CE2 3.75Å; W259-Y285 HydrophobicContact CG-CE2 3.75Å; W259-Y288 AromaticContact NE1-CE2 3.74Å; W259-Y288 AromaticContact NE1-CZ 3.75Å; W259-Y288 PolarHBondContact NE1-OH 3.39Å; W259-H300 AromaticContact CE2-CE1 3.53Å; W259-H300 AromaticContact CE2-ND1 3.89Å; W259-H300 AromaticContact CE2-NE2 3.77Å; W259-H300 AromaticContact CH2-CD2 3.72Å; W259-H300 AromaticContact CH2-NE2 3.81Å; W259-H300 AromaticContact CZ2-CD2 3.64Å; W259-H300 AromaticContact CZ2-CE1 3.51Å; W259-H300 AromaticContact CZ2-NE2 3.23Å; W259-H300 WeakPolarHBondContact CZ2-NE2 3.43Å; W259-H300 AromaticContact NE1-CE1 3.57Å; W259-L303 HydrophobicContact CH2-CD2 3.89Å; W259-L303 HydrophobicContact CZ3-CD2 3.83Å; W259-Y330 HydrophobicContact CH2-CD1 4.08Å; W259-Y330 HydrophobicContact CH2-CE1 4.43Å; W259-Y330 HydrophobicContact CZ2-CD1 4.49Å; W259-I344 HydrophobicContact CE3-CD1 4Å; W259-I344 HydrophobicContact CH2-CG2 4.14Å; W259-I344 HydrophobicContact CZ3-CB 4.19Å; W259-I344 HydrophobicContact CZ3-CD1 3.87Å; W259-I344 HydrophobicContact CZ3-CG1 3.93Å; W259-I344 HydrophobicContact CZ3-CG2 3.99Å
260K98.6Very high97.1Very high80 Ų8051.1 Ų51.135%0.34825%0.25SC..BIsolated β-bridgetrans-85.6140.9179-63.7168.6-177.7162.10112.2H255 S256 E258 L262 T282H255-K260 CarbonylContact C-O 3.57Å; H255-K260 VanDerWaalsContact CA-O 3.23Å; H255-K260 WeakPolarHBondContact CA-O 3.44Å; S256-K260 PolarHBondContact N-O 3.01Å; S256-K260 PolarHBondContact OG-N 3.35Å; E258-K260 HydrophobicContact CB-CD 4.34Å; E258-K260 HydrophobicContact CB-CG 4.43Å; E258-K260 PolarHBondContact O-N 3.27Å; E258-K260 WeakPolarHBondContact OE2-CE 3.43Å; E258-K260 IonicContact OE2-NZ 3.67Å; E258-K260 PolarHBondContact OE2-NZ 3.36Å; K260-L262 PolarHBondContact O-N 3.02Å; K260-T282 CarbonylContact C-O 3.45Å; K260-T282 WeakPolarHBondContact CA-O 3.48Å; K260-T282 WeakPolarHBondContact CB-O 3.34Å
261F98.8Very high97.1Very high5 Ų548.9 Ų48.92%0.02224%0.24CC..EExtended strand (participates in β ladder)trans-63127.6178.8-70.4-84.3000112H255 L264 V279 G281 T282 Y287 F316H255-F261 AromaticContact CE1-CD1 3.5Å; H255-F261 AromaticContact CE1-CE1 3.34Å; H255-F261 WeakPolarHBondContact CE1-CE1 3.37Å; H255-F261 AromaticContact CE1-CE2 3.94Å; H255-F261 AromaticContact CE1-CG 3.88Å; H255-F261 AromaticContact CE1-CZ 3.58Å; H255-F261 AromaticContact NE2-CD1 3.66Å; H255-F261 AromaticContact NE2-CE1 3.39Å; H255-F261 WeakPolarHBondContact NE2-CE1 3.37Å; H255-F261 AromaticContact NE2-CZ 4Å; F261-L264 HydrophobicContact CE1-CD1 4.43Å; F261-V279 HydrophobicContact CB-CG2 4.26Å; F261-V279 WeakPolarHBondContact CB-O 3.4Å; F261-V279 HydrophobicContact CD1-CG2 4.29Å; F261-V279 HydrophobicContact CD2-CB 3.95Å; F261-V279 HydrophobicContact CD2-CG2 4.17Å; F261-V279 HydrophobicContact CE2-CB 4.28Å; F261-V279 HydrophobicContact CG-CB 4.29Å; F261-V279 HydrophobicContact CG-CG2 4Å; F261-G281 PolarHBondContact O-N 3.13Å; F261-T282 PolarHBondContact N-O 2.98Å; F261-Y287 HydrophobicContact CD2-CE2 4.39Å; F261-Y287 AromaticContact CE2-CD2 3.94Å; F261-Y287 HydrophobicContact CE2-CD2 3.94Å; F261-Y287 AromaticContact CE2-CE2 3.75Å; F261-Y287 HydrophobicContact CE2-CE2 3.75Å; F261-F316 HydrophobicContact CZ-CE2 4.43Å
262L98.7Very high97Very high91 Ų9148.9 Ų48.948%0.47624%0.24SC..EExtended strand (participates in β ladder)trans-111.1-18.4172.7-62.6179.2000112.7R254 K260 L280 F343R254-L262 PolarHBondContact O-N 2.8Å; K260-L262 PolarHBondContact O-N 3.02Å; L262-L280 VanDerWaalsContact O-CD2 3.32Å; L262-L280 WeakPolarHBondContact O-CD2 3.48Å; L262-F343 HydrophobicContact CD1-CB 4.07Å
263F98.7Very high96.9Very high78 Ų7849 Ų4934%0.34225%0.247SC..EExtended strand (participates in β ladder)trans-158.9145.9177.5173-97.7000109.9S253 R254 D265S253-F263 CarbonylContact C-O 3.47Å; S253-F263 VanDerWaalsContact CA-O 3.25Å; S253-F263 WeakPolarHBondContact CA-O 3.48Å; S253-F263 WeakPolarHBondContact CB-O 3.45Å; R254-F263 HydrophobicContact CB-CB 3.99Å; R254-F263 HydrophobicContact CG-CB 4.23Å; R254-F263 HydrophobicContact CG-CD1 4.19Å; R254-F263 PolarHBondContact N-O 3.07Å; R254-F263 PolarHBondContact O-N 3.32Å; F263-D265 HydrophobicContact CE1-CB 3.9Å; F263-D265 HydrophobicContact CZ-CB 3.99Å
264L98.6Very high96.8Very high7 Ų750.4 Ų50.44%0.03725%0.253CS..EExtended strand (participates in β ladder)trans-137.4135.8168.1-170.273.4000107.1F251 F261 A268 I272 P276 V279F251-L264 HydrophobicContact CD2-CD1 4.05Å; F251-L264 HydrophobicContact CE2-CD1 4.11Å; F261-L264 HydrophobicContact CE1-CD1 4.43Å; L264-A268 HydrophobicContact CD1-CB 3.56Å; L264-A268 HydrophobicContact CD2-CB 3.64Å; L264-A268 HydrophobicContact CG-CB 3.51Å; L264-I272 HydrophobicContact CD1-CD1 4.47Å; L264-I272 HydrophobicContact CD2-CD1 4.35Å; L264-P276 HydrophobicContact CB-CB 4.13Å; L264-P276 HydrophobicContact CB-CG 4.26Å; L264-P276 HydrophobicContact CD2-CG 4.33Å; L264-V279 HydrophobicContact CB-CG2 4.43Å; L264-V279 HydrophobicContact CD2-CG2 3.95Å
265D97.3Very high96.8Very high15 Ų1550.2 Ų50.28%0.0826%0.257CS..  trans-77-178.6178.280.612.5000113.1T252 F263 R267 A268T252-D265 VanDerWaalsContact N-CG 3.34Å; T252-D265 PolarHBondContact N-OD2 3.28Å; T252-D265 WeakPolarHBondContact O-CB 3.42Å; T252-D265 PolarHBondContact O-N 3.07Å; F263-D265 HydrophobicContact CE1-CB 3.9Å; F263-D265 HydrophobicContact CZ-CB 3.99Å; D265-R267 VanDerWaalsContact C-N 3.33Å; D265-R267 WeakPolarHBondContact OD1-CA 3.37Å; D265-R267 WeakPolarHBondContact OD1-CB 3.47Å; D265-R267 PolarHBondContact OD1-N 3.44Å; D265-R267 IonicContact OD2-CZ 2.68Å; D265-R267 IonicContact OD2-NE 3.8Å; D265-R267 PolarHBondContact OD2-NE 3.09Å; D265-R267 IonicContact OD2-NH2 2.63Å; D265-R267 PolarHBondContact OD2-NH2 3.48Å; D265-R267 VanDerWaalsContact OD2-NH2 3.13Å; D265-A268 PolarHBondContact OD1-N 3.01Å; D265-A268 VanDerWaalsContact OD1-N 3.13Å
266H96Very high96.8Very high158 Ų15852.1 Ų52.173%0.73127%0.27SS*.SBendtrans-85.2-1.8-178.168.9-87.3000114.1
267R95.1Very high96.8Very high79 Ų7958.3 Ų58.330%0.29830%0.295SS..SBendtrans-93.7-26.5179.2-56.9-179.7-69.4168.22.4111.5E250 F251 T252 D265 P270 I271E250-R267 WeakPolarHBondContact O-CD 3.33Å; E250-R267 PolarHBondContact O-NE 3.09Å; E250-R267 PolarHBondContact O-NH1 3.2Å; E250-R267 VanDerWaalsContact O-NH1 3.15Å; E250-R267 IonicContact OE1-CZ 3.66Å; E250-R267 IonicContact OE1-NH1 3.01Å; E250-R267 PolarHBondContact OE1-NH1 3.37Å; E250-R267 IonicContact OE1-NH2 2.78Å; E250-R267 PolarHBondContact OE1-NH2 3.17Å; F251-R267 HydrophobicContact CB-CB 4.11Å; T252-R267 PolarHBondContact OG1-NH2 3.18Å; T252-R267 VanDerWaalsContact OG1-NH2 3.1Å; D265-R267 VanDerWaalsContact C-N 3.33Å; D265-R267 WeakPolarHBondContact OD1-CA 3.37Å; D265-R267 WeakPolarHBondContact OD1-CB 3.47Å; D265-R267 PolarHBondContact OD1-N 3.44Å; D265-R267 IonicContact OD2-CZ 2.68Å; D265-R267 IonicContact OD2-NE 3.8Å; D265-R267 PolarHBondContact OD2-NE 3.09Å; D265-R267 IonicContact OD2-NH2 2.63Å; D265-R267 PolarHBondContact OD2-NH2 3.48Å; D265-R267 VanDerWaalsContact OD2-NH2 3.13Å; R267-P270 WeakPolarHBondContact O-CD 3.37Å; R267-I271 VanDerWaalsContact O-CD1 3.3Å; R267-I271 WeakPolarHBondContact O-CD1 3.47Å; R267-I271 WeakPolarHBondContact O-CG1 3.5Å
268A95.6Very high96.8Very high0 Ų057.5 Ų57.50%029%0.288CS..Hα-helixtrans-58.7-42.3174.600000114.7F251 L264 D265 I271 I272F251-A268 HydrophobicContact CB-CB 3.9Å; F251-A268 HydrophobicContact CD2-CB 3.5Å; F251-A268 VanDerWaalsContact CD2-CB 3.5Å; F251-A268 HydrophobicContact CE2-CB 4.11Å; F251-A268 HydrophobicContact CG-CB 3.77Å; L264-A268 HydrophobicContact CD1-CB 3.56Å; L264-A268 HydrophobicContact CD2-CB 3.64Å; L264-A268 HydrophobicContact CG-CB 3.51Å; D265-A268 PolarHBondContact OD1-N 3.01Å; D265-A268 VanDerWaalsContact OD1-N 3.13Å; A268-I271 PolarHBondContact O-N 2.72Å; A268-I272 HydrophobicContact CB-CD1 4.13Å; A268-I272 HydrophobicContact CB-CG1 4.1Å; A268-I272 WeakPolarHBondContact O-CG1 3.3Å; A268-I272 PolarHBondContact O-N 3.31Å
269P95.3Very high96.9Very high27 Ų2751.1 Ų51.118%0.17526%0.259CS..Hα-helixtrans-63.7-36.5-173-21.633.4000115.5I271 G273 Y274 L275P269-I271 VanDerWaalsContact C-N 3.34Å; P269-G273 WeakPolarHBondContact O-CA 3.48Å; P269-G273 PolarHBondContact O-N 3.16Å; P269-Y274 WeakPolarHBondContact CA-O 3.28Å; P269-Y274 WeakPolarHBondContact CB-O 3.43Å; P269-Y274 WeakPolarHBondContact CG-O 3.37Å; P269-L275 HydrophobicContact CB-CD2 4.14Å; P269-L275 HydrophobicContact CG-CD2 4.5Å
270P92.8Very high96.9Very high105 Ų10554.6 Ų54.668%0.68228%0.278SS*.Hα-helixtrans-56.5-41.8165.6-29.635.5000114.4R267R267-P270 WeakPolarHBondContact O-CD 3.37Å
271I92.4Very high96.9Very high15 Ų1553.2 Ų53.28%0.07729%0.286CS..Hα-helixtrans-82.2-50.1-170.2-55.7166.5000112.3E249 F251 R267 A268 P269 I324 V350E249-I271 HydrophobicContact CB-CD1 3.86Å; E249-I271 HydrophobicContact CB-CG1 4.14Å; E249-I271 HydrophobicContact CG-CD1 4.44Å; E249-I271 HydrophobicContact CG-CG1 4.29Å; F251-I271 HydrophobicContact CB-CD1 4.14Å; F251-I271 HydrophobicContact CD1-CB 4.48Å; F251-I271 HydrophobicContact CD1-CD1 3.79Å; F251-I271 HydrophobicContact CD1-CG2 4.32Å; F251-I271 HydrophobicContact CE1-CG2 4.27Å; F251-I271 HydrophobicContact CG-CD1 4.4Å; R267-I271 VanDerWaalsContact O-CD1 3.3Å; R267-I271 WeakPolarHBondContact O-CD1 3.47Å; R267-I271 WeakPolarHBondContact O-CG1 3.5Å; A268-I271 PolarHBondContact O-N 2.72Å; P269-I271 VanDerWaalsContact C-N 3.34Å; I271-I324 HydrophobicContact CG2-CD1 3.78Å; I271-V350 HydrophobicContact CG2-CG2 3.6Å
272I94.9Very high96.9Very high1 Ų154.9 Ų54.91%0.00530%0.297CS..Hα-helixtrans-104.1-2.2-176.759.3169.7000113.8F251 L264 A268 Y274 F316 T318 K319 I324F251-I272 HydrophobicContact CE1-CG2 4.07Å; F251-I272 HydrophobicContact CE2-CD1 4.2Å; F251-I272 HydrophobicContact CZ-CD1 4.26Å; F251-I272 HydrophobicContact CZ-CG2 3.95Å; L264-I272 HydrophobicContact CD1-CD1 4.47Å; L264-I272 HydrophobicContact CD2-CD1 4.35Å; A268-I272 HydrophobicContact CB-CD1 4.13Å; A268-I272 HydrophobicContact CB-CG1 4.1Å; A268-I272 WeakPolarHBondContact O-CG1 3.3Å; A268-I272 PolarHBondContact O-N 3.31Å; I272-Y274 HydrophobicContact CB-CD2 4.12Å; I272-Y274 HydrophobicContact CD1-CD2 4.02Å; I272-Y274 HydrophobicContact CG1-CD2 4.09Å; I272-Y274 WeakPolarHBondContact O-CD2 3.37Å; I272-Y274 PolarHBondContact O-N 3.36Å; I272-F316 HydrophobicContact CB-CD1 4.36Å; I272-F316 HydrophobicContact CB-CE1 3.94Å; I272-F316 HydrophobicContact CD1-CE1 3.88Å; I272-F316 HydrophobicContact CD1-CZ 4.09Å; I272-F316 HydrophobicContact CG2-CD1 3.7Å; I272-F316 HydrophobicContact CG2-CE1 3.68Å; I272-T318 WeakPolarHBondContact O-CA 3.48Å; I272-K319 PolarHBondContact O-N 2.58Å; I272-I324 HydrophobicContact CG2-CD1 3.51Å; I272-I324 HydrophobicContact CG2-CG1 4.5Å
273G95.2Very high96.9Very high33 Ų3351.7 Ų51.734%0.3428%0.282SS..  trans74.2-19.3178.300000116P269 K319P269-G273 WeakPolarHBondContact O-CA 3.48Å; P269-G273 PolarHBondContact O-N 3.16Å; G273-K319 WeakPolarHBondContact O-CD 3.48Å
274Y98Very high96.8Very high30 Ų3048 Ų4812%0.11827%0.265CS..  trans-79.5136-179.9-56.9-77.6000112.9P269 I272 V279 Y287 F316 L317 K319P269-Y274 WeakPolarHBondContact CA-O 3.28Å; P269-Y274 WeakPolarHBondContact CB-O 3.43Å; P269-Y274 WeakPolarHBondContact CG-O 3.37Å; I272-Y274 HydrophobicContact CB-CD2 4.12Å; I272-Y274 HydrophobicContact CD1-CD2 4.02Å; I272-Y274 HydrophobicContact CG1-CD2 4.09Å; I272-Y274 WeakPolarHBondContact O-CD2 3.37Å; I272-Y274 PolarHBondContact O-N 3.36Å; Y274-V279 HydrophobicContact CD1-CG1 4.31Å; Y274-V279 HydrophobicContact CD2-CG1 4.33Å; Y274-V279 HydrophobicContact CG-CG1 3.89Å; Y274-Y287 HydrophobicContact CD2-CE1 4.47Å; Y274-Y287 HydrophobicContact CE1-CE1 4.2Å; Y274-Y287 AromaticContact CE2-CD1 3.9Å; Y274-Y287 HydrophobicContact CE2-CD1 3.9Å; Y274-Y287 AromaticContact CE2-CE1 3.91Å; Y274-Y287 HydrophobicContact CE2-CE1 3.91Å; Y274-Y287 AromaticContact CZ-CD1 3.98Å; Y274-Y287 AromaticContact CZ-CE1 3.76Å; Y274-F316 HydrophobicContact CD2-CE1 4.5Å; Y274-F316 HydrophobicContact CE2-CE1 4.2Å; Y274-L317 VanDerWaalsContact CE2-O 3.28Å; Y274-L317 WeakPolarHBondContact CE2-O 3.5Å; Y274-L317 PolarHBondContact OH-O 3.37Å; Y274-K319 HydrophobicContact CD1-CB 3.83Å; Y274-K319 HydrophobicContact CD1-CD 4.09Å; Y274-K319 HydrophobicContact CD1-CG 3.99Å; Y274-K319 HydrophobicContact CD2-CB 4.32Å; Y274-K319 HydrophobicContact CE1-CB 3.71Å; Y274-K319 HydrophobicContact CE1-CG 3.91Å; Y274-K319 HydrophobicContact CE2-CB 4.23Å; Y274-K319 HydrophobicContact CG-CB 4.13Å
275L98Very high96.8Very high78 Ų7851.7 Ų51.741%0.40828%0.279SS..  trans-79.9148.5166.4-60.8172000109.3P269 F277 E278P269-L275 HydrophobicContact CB-CD2 4.14Å; P269-L275 HydrophobicContact CG-CD2 4.5Å; L275-F277 VanDerWaalsContact C-N 3.25Å; L275-F277 HydrophobicContact CB-CD1 3.95Å; L275-F277 HydrophobicContact CB-CE1 3.63Å; L275-F277 HydrophobicContact CB-CZ 4.26Å; L275-F277 HydrophobicContact CD1-CE1 3.6Å; L275-F277 HydrophobicContact CD1-CZ 3.94Å; L275-F277 HydrophobicContact CG-CE1 4.26Å; L275-F277 PolarHBondContact O-N 2.69Å; L275-E278 HydrophobicContact CB-CG 4.27Å; L275-E278 PolarHBondContact N-OE2 3.3Å; L275-E278 WeakPolarHBondContact O-CB 3.36Å; L275-E278 PolarHBondContact O-N 3.4Å
276P98.3Very high96.8Very high41 Ų4155.9 Ų55.927%0.26630%0.302SS..Hα-helixtrans-53.4-36.5-173.8-30.936.4000115.1L264 E278 V279 L280L264-P276 HydrophobicContact CB-CB 4.13Å; L264-P276 HydrophobicContact CB-CG 4.26Å; L264-P276 HydrophobicContact CD2-CG 4.33Å; P276-E278 PolarHBondContact O-N 3.03Å; P276-V279 PolarHBondContact O-N 3.1Å; P276-L280 HydrophobicContact CB-CD1 4.41Å; P276-L280 WeakPolarHBondContact O-CB 3.35Å; P276-L280 WeakPolarHBondContact O-CG 3.27Å; P276-L280 PolarHBondContact O-N 3.18Å
277F98Very high96.9Very high150 Ų15049.4 Ų49.466%0.65827%0.271SS*.Hα-helixtrans-69.1-14.1179.172.4-98.2000114.3L275L275-F277 VanDerWaalsContact C-N 3.25Å; L275-F277 HydrophobicContact CB-CD1 3.95Å; L275-F277 HydrophobicContact CB-CE1 3.63Å; L275-F277 HydrophobicContact CB-CZ 4.26Å; L275-F277 HydrophobicContact CD1-CE1 3.6Å; L275-F277 HydrophobicContact CD1-CZ 3.94Å; L275-F277 HydrophobicContact CG-CE1 4.26Å; L275-F277 PolarHBondContact O-N 2.69Å
278E98.1Very high97Very high68 Ų6846.4 Ų46.432%0.31826%0.26SS..Hα-helixtrans-85.1-17.8178.9-57.4-179.1122.400112.4L275 P276 K319L275-E278 HydrophobicContact CB-CG 4.27Å; L275-E278 PolarHBondContact N-OE2 3.3Å; L275-E278 WeakPolarHBondContact O-CB 3.36Å; L275-E278 PolarHBondContact O-N 3.4Å; P276-E278 PolarHBondContact O-N 3.03Å; E278-K319 WeakPolarHBondContact OE1-CE 3.39Å; E278-K319 IonicContact OE1-NZ 2.69Å; E278-K319 PolarHBondContact OE1-NZ 3.47Å; E278-K319 IonicContact OE2-NZ 3.57Å; E278-K319 PolarHBondContact OE2-NZ 3.2Å
279V98.2Very high97.1Very high1 Ų148 Ų481%0.00627%0.267CS..Hα-helixtrans-116.2-18.9179-50.10000113.7F261 L264 Y274 P276 G281 T282 Y287F261-V279 HydrophobicContact CB-CG2 4.26Å; F261-V279 WeakPolarHBondContact CB-O 3.4Å; F261-V279 HydrophobicContact CD1-CG2 4.29Å; F261-V279 HydrophobicContact CD2-CB 3.95Å; F261-V279 HydrophobicContact CD2-CG2 4.17Å; F261-V279 HydrophobicContact CE2-CB 4.28Å; F261-V279 HydrophobicContact CG-CB 4.29Å; F261-V279 HydrophobicContact CG-CG2 4Å; L264-V279 HydrophobicContact CB-CG2 4.43Å; L264-V279 HydrophobicContact CD2-CG2 3.95Å; Y274-V279 HydrophobicContact CD1-CG1 4.31Å; Y274-V279 HydrophobicContact CD2-CG1 4.33Å; Y274-V279 HydrophobicContact CG-CG1 3.89Å; P276-V279 PolarHBondContact O-N 3.1Å; V279-G281 PolarHBondContact O-N 3.39Å; V279-G281 VanDerWaalsContact O-N 3.08Å; V279-T282 PolarHBondContact O-N 2.99Å; V279-T282 PolarHBondContact O-OG1 3.37Å; V279-Y287 HydrophobicContact CG1-CE1 4.18Å
280L98.5Very high97.1Very high85 Ų8552.7 Ų52.745%0.44529%0.29SS..THydrogen-bonded Turntrans-59.3117.4-178.7-81.9167.5000111.7L262 P276L262-L280 VanDerWaalsContact O-CD2 3.32Å; L262-L280 WeakPolarHBondContact O-CD2 3.48Å; P276-L280 HydrophobicContact CB-CD1 4.41Å; P276-L280 WeakPolarHBondContact O-CB 3.35Å; P276-L280 WeakPolarHBondContact O-CG 3.27Å; P276-L280 PolarHBondContact O-N 3.18Å
281G98.3Very high97.2Very high50 Ų5052.8 Ų52.852%0.51529%0.285SS..THydrogen-bonded Turntrans93.2-13.9-176.200000116F261 V279F261-G281 PolarHBondContact O-N 3.13Å; V279-G281 PolarHBondContact O-N 3.39Å; V279-G281 VanDerWaalsContact O-N 3.08Å
282T98.6Very high97.3Very high41 Ų4152.5 Ų52.525%0.25228%0.283SS..SBendtrans-76.5161.7171.567.90000110.6K260 F261 V279 Y287K260-T282 CarbonylContact C-O 3.45Å; K260-T282 WeakPolarHBondContact CA-O 3.48Å; K260-T282 WeakPolarHBondContact CB-O 3.34Å; F261-T282 PolarHBondContact N-O 2.98Å; V279-T282 PolarHBondContact O-N 2.99Å; V279-T282 PolarHBondContact O-OG1 3.37Å; T282-Y287 VanDerWaalsContact OG1-CE2 3.28Å; T282-Y287 WeakPolarHBondContact OG1-CE2 3.46Å; T282-Y287 PolarHBondContact OG1-OH 3.47Å
283S98.4Very high97.4Very high23 Ų2355.2 Ų55.216%0.16130%0.297CS..BIsolated β-bridgetrans-85.1139.3-179.3164.90000110.3Y285 D286 Y287S283-Y285 PolarHBondContact O-N 3.31Å; S283-Y285 VanDerWaalsContact O-N 3.14Å; S283-Y285 WeakPolarHBondContact OG-CD2 3.2Å; S283-Y285 PolarHBondContact OG-N 3.11Å; S283-D286 WeakPolarHBondContact CB-OD1 3.47Å; S283-D286 WeakPolarHBondContact CB-OD2 3.45Å; S283-D286 PolarHBondContact N-OD2 3.09Å; S283-D286 VanDerWaalsContact O-CB 3.3Å; S283-D286 WeakPolarHBondContact O-CB 3.48Å; S283-D286 VanDerWaalsContact O-CG 3.28Å; S283-D286 PolarHBondContact O-N 3.46Å; S283-Y287 WeakPolarHBondContact O-CD2 3.36Å; S283-Y287 WeakPolarHBondContact O-CE2 3.35Å
284G97.5Very high97.4Very high0 Ų059.6 Ų59.60%031%0.309CS..G310 helixtrans-57.4-28.8173.300000113W259 D286 Y287 Y288W259-G284 PolarHBondContact O-N 3.43Å; G284-D286 PolarHBondContact O-N 3.03Å; G284-Y287 PolarHBondContact O-N 3.41Å; G284-Y288 VanDerWaalsContact C-CE2 3.5Å; G284-Y288 WeakPolarHBondContact O-CD2 3.44Å; G284-Y288 WeakPolarHBondContact O-CE1 3.5Å; G284-Y288 VanDerWaalsContact O-CE2 3.3Å; G284-Y288 WeakPolarHBondContact O-CE2 3.34Å; G284-Y288 VanDerWaalsContact O-CZ 3.29Å
285Y98.1Very high97.2Very high85 Ų8560.8 Ų60.833%0.33332%0.317SS..G310 helixtrans-68.1-16.7176.5-61.1-78000114.1W259 S283 Y287 Y288 L293 H300W259-Y285 HydrophobicContact CB-CD2 4.18Å; W259-Y285 HydrophobicContact CB-CE2 3.71Å; W259-Y285 AromaticContact CD1-CD2 3.78Å; W259-Y285 AromaticContact CD1-CE2 3.59Å; W259-Y285 HydrophobicContact CG-CD2 4.25Å; W259-Y285 AromaticContact CG-CE2 3.75Å; W259-Y285 HydrophobicContact CG-CE2 3.75Å; S283-Y285 PolarHBondContact O-N 3.31Å; S283-Y285 VanDerWaalsContact O-N 3.14Å; S283-Y285 WeakPolarHBondContact OG-CD2 3.2Å; S283-Y285 PolarHBondContact OG-N 3.11Å; Y285-Y287 PolarHBondContact O-N 3.34Å; Y285-Y288 AromaticContact CD1-CD2 3.74Å; Y285-Y288 HydrophobicContact CD1-CD2 3.74Å; Y285-Y288 AromaticContact CD1-CE2 3.91Å; Y285-Y288 HydrophobicContact CD1-CE2 3.91Å; Y285-Y288 HydrophobicContact CE1-CD2 4.4Å; Y285-Y288 HydrophobicContact CE1-CE2 4.29Å; Y285-Y288 HydrophobicContact CG-CD2 4.3Å; Y285-Y288 HydrophobicContact CG-CE2 4.32Å; Y285-L293 HydrophobicContact CD1-CD2 3.91Å; Y285-H300 AromaticContact CE1-ND1 3.81Å; Y285-H300 AromaticContact CZ-ND1 3.58Å; Y285-H300 PolarHBondContact OH-ND1 2.95Å
286D97.8Very high97.2Very high104 Ų10457.1 Ų57.156%0.55630%0.298SS*.G310 helixtrans-71.4-10.4178.7-52.6-24000112.1S283 G284S283-D286 WeakPolarHBondContact CB-OD1 3.47Å; S283-D286 WeakPolarHBondContact CB-OD2 3.45Å; S283-D286 PolarHBondContact N-OD2 3.09Å; S283-D286 VanDerWaalsContact O-CB 3.3Å; S283-D286 WeakPolarHBondContact O-CB 3.48Å; S283-D286 VanDerWaalsContact O-CG 3.28Å; S283-D286 PolarHBondContact O-N 3.46Å; G284-D286 PolarHBondContact O-N 3.03Å
287Y98.1Very high97.1Very high21 Ų2156.7 Ų56.78%0.08230%0.298CS..G310 helixtrans-120.2-1.2-174-53.4-94.1000114F261 Y274 V279 T282 S283 G284 Y285 F316 L317F261-Y287 HydrophobicContact CD2-CE2 4.39Å; F261-Y287 AromaticContact CE2-CD2 3.94Å; F261-Y287 HydrophobicContact CE2-CD2 3.94Å; F261-Y287 AromaticContact CE2-CE2 3.75Å; F261-Y287 HydrophobicContact CE2-CE2 3.75Å; Y274-Y287 HydrophobicContact CD2-CE1 4.47Å; Y274-Y287 HydrophobicContact CE1-CE1 4.2Å; Y274-Y287 AromaticContact CE2-CD1 3.9Å; Y274-Y287 HydrophobicContact CE2-CD1 3.9Å; Y274-Y287 AromaticContact CE2-CE1 3.91Å; Y274-Y287 HydrophobicContact CE2-CE1 3.91Å; Y274-Y287 AromaticContact CZ-CD1 3.98Å; Y274-Y287 AromaticContact CZ-CE1 3.76Å; V279-Y287 HydrophobicContact CG1-CE1 4.18Å; T282-Y287 VanDerWaalsContact OG1-CE2 3.28Å; T282-Y287 WeakPolarHBondContact OG1-CE2 3.46Å; T282-Y287 PolarHBondContact OG1-OH 3.47Å; S283-Y287 WeakPolarHBondContact O-CD2 3.36Å; S283-Y287 WeakPolarHBondContact O-CE2 3.35Å; G284-Y287 PolarHBondContact O-N 3.41Å; Y285-Y287 PolarHBondContact O-N 3.34Å; Y287-F316 HydrophobicContact CD1-CE1 4.27Å; Y287-F316 AromaticContact CD1-CZ 3.9Å; Y287-F316 HydrophobicContact CD1-CZ 3.9Å; Y287-F316 HydrophobicContact CD2-CE2 4.48Å; Y287-F316 HydrophobicContact CD2-CZ 4.41Å; Y287-F316 HydrophobicContact CG-CE1 4.39Å; Y287-F316 AromaticContact CG-CE2 3.93Å; Y287-F316 HydrophobicContact CG-CE2 3.93Å; Y287-F316 AromaticContact CG-CZ 3.69Å; Y287-F316 HydrophobicContact CG-CZ 3.69Å; Y287-F316 CarbonylContact O-C 3.54Å; Y287-F316 WeakPolarHBondContact O-CA 3.41Å; Y287-L317 PolarHBondContact O-N 3.34Å
288Y98.1Very high97.1Very high16 Ų1655.9 Ų55.96%0.06329%0.29CS..BIsolated β-bridgetrans-92.8145.7-177.5-57.6-34.4000111.9W259 G284 Y285 L293 L296 Y314 F316W259-Y288 AromaticContact NE1-CE2 3.74Å; W259-Y288 AromaticContact NE1-CZ 3.75Å; W259-Y288 PolarHBondContact NE1-OH 3.39Å; G284-Y288 VanDerWaalsContact C-CE2 3.5Å; G284-Y288 WeakPolarHBondContact O-CD2 3.44Å; G284-Y288 WeakPolarHBondContact O-CE1 3.5Å; G284-Y288 VanDerWaalsContact O-CE2 3.3Å; G284-Y288 WeakPolarHBondContact O-CE2 3.34Å; G284-Y288 VanDerWaalsContact O-CZ 3.29Å; Y285-Y288 AromaticContact CD1-CD2 3.74Å; Y285-Y288 HydrophobicContact CD1-CD2 3.74Å; Y285-Y288 AromaticContact CD1-CE2 3.91Å; Y285-Y288 HydrophobicContact CD1-CE2 3.91Å; Y285-Y288 HydrophobicContact CE1-CD2 4.4Å; Y285-Y288 HydrophobicContact CE1-CE2 4.29Å; Y285-Y288 HydrophobicContact CG-CD2 4.3Å; Y285-Y288 HydrophobicContact CG-CE2 4.32Å; Y288-L293 HydrophobicContact CD2-CD2 4.2Å; Y288-L296 HydrophobicContact CD1-CD1 4.03Å; Y288-L296 HydrophobicContact CD2-CD1 3.55Å; Y288-L296 HydrophobicContact CE1-CD1 4.46Å; Y288-L296 HydrophobicContact CE2-CD1 4.04Å; Y288-L296 HydrophobicContact CG-CD1 3.57Å; Y288-Y314 AromaticContact CD1-CD2 3.86Å; Y288-Y314 HydrophobicContact CD1-CD2 3.86Å; Y288-Y314 AromaticContact CD1-CE2 3.61Å; Y288-Y314 HydrophobicContact CD1-CE2 3.61Å; Y288-Y314 HydrophobicContact CE1-CD2 4.18Å; Y288-Y314 AromaticContact CE1-CE2 3.51Å; Y288-Y314 HydrophobicContact CE1-CE2 3.51Å; Y288-F316 HydrophobicContact CD1-CD2 4.09Å; Y288-F316 AromaticContact CE1-CD2 3.98Å; Y288-F316 HydrophobicContact CE1-CD2 3.98Å; Y288-F316 HydrophobicContact CE1-CE2 4.38Å
289H96.5Very high97.1Very high33 Ų3353.8 Ų53.815%0.15328%0.283CS..  trans-66142.3174.5-167.8-79.3000111.5D291 D292 L293 R315 W323H289-D291 IonicContact CE1-OD1 3.61Å; H289-D291 PolarHBondContact CE1-OD1 3.17Å; H289-D291 IonicContact CE1-OD2 2.97Å; H289-D291 PolarHBondContact CE1-OD2 3.33Å; H289-D291 VanDerWaalsContact ND1-CG 3.33Å; H289-D291 PolarHBondContact ND1-N 3.46Å; H289-D291 IonicContact ND1-OD1 2.67Å; H289-D291 IonicContact ND1-OD2 3.37Å; H289-D291 PolarHBondContact ND1-OD2 2.99Å; H289-D291 PolarHBondContact O-N 3.1Å; H289-D292 PolarHBondContact O-N 3.37Å; H289-L293 PolarHBondContact O-N 2.98Å; H289-R315 HydrophobicContact CB-CB 3.7Å; H289-R315 PolarHBondContact N-O 3.42Å; H289-R315 VanDerWaalsContact N-O 3.11Å; H289-R315 PolarHBondContact ND1-NH2 3.16Å; H289-R315 VanDerWaalsContact ND1-NH2 3.15Å; H289-W323 HydrophobicContact CB-CD2 4.5Å; H289-W323 HydrophobicContact CB-CE3 4.04Å; H289-W323 HydrophobicContact CB-CH2 3.97Å; H289-W323 HydrophobicContact CB-CZ2 4.43Å; H289-W323 HydrophobicContact CB-CZ3 3.74Å; H289-W323 AromaticContact CD2-CD2 3.91Å; H289-W323 AromaticContact CD2-CE2 3.48Å; H289-W323 VanDerWaalsContact CD2-CE2 3.48Å; H289-W323 AromaticContact CD2-CH2 3.92Å; H289-W323 AromaticContact CD2-CZ2 3.5Å; H289-W323 VanDerWaalsContact CD2-CZ2 3.5Å; H289-W323 WeakPolarHBondContact CD2-CZ2 3.49Å; H289-W323 AromaticContact CD2-NE1 3.81Å
290I96.1Very high97.1Very high127 Ų12754.1 Ų54.165%0.65129%0.285SS*.G310 helixtrans-59.4-43.9-169.9-168.9169.1000113.4D292 L293I290-D292 PolarHBondContact O-N 3.36Å; I290-L293 HydrophobicContact CG1-CD1 4.22Å; I290-L293 WeakPolarHBondContact O-CB 3.37Å; I290-L293 PolarHBondContact O-N 3.3Å
291D93.4Very high97Very high106 Ų10655.8 Ų55.857%0.56729%0.29SS*.G310 helixtrans-61.1-30176.7-29.8-29.9000113H289 R315H289-D291 IonicContact CE1-OD1 3.61Å; H289-D291 PolarHBondContact CE1-OD1 3.17Å; H289-D291 IonicContact CE1-OD2 2.97Å; H289-D291 PolarHBondContact CE1-OD2 3.33Å; H289-D291 VanDerWaalsContact ND1-CG 3.33Å; H289-D291 PolarHBondContact ND1-N 3.46Å; H289-D291 IonicContact ND1-OD1 2.67Å; H289-D291 IonicContact ND1-OD2 3.37Å; H289-D291 PolarHBondContact ND1-OD2 2.99Å; H289-D291 PolarHBondContact O-N 3.1Å; D291-R315 IonicContact OD2-CZ 2.74Å; D291-R315 IonicContact OD2-NH1 2.66Å; D291-R315 IonicContact OD2-NH2 3.79Å; D291-R315 PolarHBondContact OD2-NH2 3.49Å
292D95.5Very high96.9Very high10 Ų1057.8 Ų57.85%0.05329%0.286CS..G310 helixtrans-86.4-15.8-171.4-54.9-8.8000111.3H289 I290 E294 L295 L296 R315H289-D292 PolarHBondContact O-N 3.37Å; I290-D292 PolarHBondContact O-N 3.36Å; D292-E294 VanDerWaalsContact C-N 3.34Å; D292-E294 PolarHBondContact O-N 3.23Å; D292-L295 PolarHBondContact O-N 2.91Å; D292-L296 HydrophobicContact CB-CD1 4.46Å; D292-L296 WeakPolarHBondContact O-CB 3.35Å; D292-L296 WeakPolarHBondContact O-CG 3.14Å; D292-L296 PolarHBondContact O-N 3.24Å; D292-R315 IonicContact OD1-CZ 3.9Å; D292-R315 IonicContact OD1-NE 2.67Å; D292-R315 IonicContact OD1-NH2 3.07Å; D292-R315 PolarHBondContact OD1-NH2 2.67Å; D292-R315 WeakPolarHBondContact OD2-CB 3.49Å; D292-R315 IonicContact OD2-CZ 3.66Å; D292-R315 PolarHBondContact OD2-N 3.4Å; D292-R315 IonicContact OD2-NE 2.71Å; D292-R315 PolarHBondContact OD2-NE 3.09Å; D292-R315 IonicContact OD2-NH2 3.55Å
293L96.3Very high96.9Very high57 Ų5755.8 Ų55.830%0.29827%0.274SS..Hα-helixtrans-57.2-40.2-177.4-72.2174.3000113.4Y285 Y288 H289 I290 A297Y285-L293 HydrophobicContact CD1-CD2 3.91Å; Y288-L293 HydrophobicContact CD2-CD2 4.2Å; H289-L293 PolarHBondContact O-N 2.98Å; I290-L293 HydrophobicContact CG1-CD1 4.22Å; I290-L293 WeakPolarHBondContact O-CB 3.37Å; I290-L293 PolarHBondContact O-N 3.3Å; L293-A297 VanDerWaalsContact O-CB 3.27Å; L293-A297 WeakPolarHBondContact O-CB 3.39Å; L293-A297 PolarHBondContact O-N 3.36Å
294E95.6Very high96.8Very high125 Ų12559 Ų5958%0.58429%0.287SS*.Hα-helixtrans-68.5-43.3-176.5-157.6-160.3158.500111.2D292 A297 R298D292-E294 VanDerWaalsContact C-N 3.34Å; D292-E294 PolarHBondContact O-N 3.23Å; E294-A297 PolarHBondContact O-N 3.21Å; E294-R298 WeakPolarHBondContact O-CG 3.28Å; E294-R298 PolarHBondContact O-N 2.82Å; E294-R298 VanDerWaalsContact O-N 3.11Å; E294-R298 IonicContact OE1-CZ 2.86Å; E294-R298 IonicContact OE1-NE 3.13Å; E294-R298 PolarHBondContact OE1-NE 2.91Å; E294-R298 IonicContact OE1-NH2 3.4Å; E294-R298 PolarHBondContact OE1-NH2 3.15Å; E294-R298 IonicContact OE2-NH2 2.68Å; E294-R298 PolarHBondContact OE2-NH2 3.38Å
295L94.4Very high96.8Very high56 Ų5665.6 Ų65.629%0.29332%0.318SS..Hα-helixtrans-68.7-43.2179.4-168.754.8000110.8D292 A297 R298 C299 C312D292-L295 PolarHBondContact O-N 2.91Å; L295-A297 VanDerWaalsContact C-N 3.35Å; L295-A297 PolarHBondContact O-N 3.31Å; L295-R298 WeakPolarHBondContact O-CB 3.37Å; L295-R298 PolarHBondContact O-N 2.84Å; L295-C299 PolarHBondContact O-N 2.81Å; L295-C299 PolarHBondContact O-SG 3.22Å; L295-C312 HydrophobicContact CD2-CB 3.45Å; L295-C312 VanDerWaalsContact CD2-CB 3.45Å; L295-C312 HydrophobicContact CG-CB 3.85Å
296L97.2Very high96.7Very high1 Ų167.8 Ų67.81%0.00533%0.329CS..Hα-helixtrans-57.2-44.4171.8-78.9170.7000112.6Y288 D292 R298 C299 H300 Y314Y288-L296 HydrophobicContact CD1-CD1 4.03Å; Y288-L296 HydrophobicContact CD2-CD1 3.55Å; Y288-L296 HydrophobicContact CE1-CD1 4.46Å; Y288-L296 HydrophobicContact CE2-CD1 4.04Å; Y288-L296 HydrophobicContact CG-CD1 3.57Å; D292-L296 HydrophobicContact CB-CD1 4.46Å; D292-L296 WeakPolarHBondContact O-CB 3.35Å; D292-L296 WeakPolarHBondContact O-CG 3.14Å; D292-L296 PolarHBondContact O-N 3.24Å; L296-R298 VanDerWaalsContact C-N 3.33Å; L296-R298 PolarHBondContact O-N 2.98Å; L296-C299 PolarHBondContact O-N 2.91Å; L296-C299 VanDerWaalsContact O-N 3.15Å; L296-H300 PolarHBondContact O-CD2 2.79Å; L296-H300 PolarHBondContact O-N 3.47Å; L296-H300 PolarHBondContact O-ND1 2.89Å; L296-Y314 HydrophobicContact CD1-CD1 4.49Å; L296-Y314 HydrophobicContact CD1-CD2 3.9Å; L296-Y314 HydrophobicContact CD1-CG 3.84Å; L296-Y314 HydrophobicContact CD2-CD1 3.68Å; L296-Y314 HydrophobicContact CD2-CD2 4.47Å; L296-Y314 HydrophobicContact CD2-CE1 4.11Å; L296-Y314 HydrophobicContact CD2-CG 3.87Å; L296-Y314 HydrophobicContact CG-CD1 4.49Å; L296-Y314 HydrophobicContact CG-CG 4.21Å
297A97Very high96.6Very high32 Ų3263.3 Ų63.326%0.26431%0.308SS..Hα-helixtrans-60.7-40.9177.400000112.2L293 E294 L295 H300 Q301L293-A297 VanDerWaalsContact O-CB 3.27Å; L293-A297 WeakPolarHBondContact O-CB 3.39Å; L293-A297 PolarHBondContact O-N 3.36Å; E294-A297 PolarHBondContact O-N 3.21Å; L295-A297 VanDerWaalsContact C-N 3.35Å; L295-A297 PolarHBondContact O-N 3.31Å; A297-H300 PolarHBondContact O-N 3.48Å; A297-Q301 VanDerWaalsContact O-CG 3.28Å; A297-Q301 WeakPolarHBondContact O-CG 3.21Å; A297-Q301 PolarHBondContact O-N 3.49Å
298R97.3Very high96.6Very high132 Ų13269.5 Ų69.550%0.49834%0.335SS..Hα-helixtrans-62-44.7172.8-63.3167.2-169.6178.62.6111.1E294 L295 L296 H300 Q301 H302E294-R298 WeakPolarHBondContact O-CG 3.28Å; E294-R298 PolarHBondContact O-N 2.82Å; E294-R298 VanDerWaalsContact O-N 3.11Å; E294-R298 IonicContact OE1-CZ 2.86Å; E294-R298 IonicContact OE1-NE 3.13Å; E294-R298 PolarHBondContact OE1-NE 2.91Å; E294-R298 IonicContact OE1-NH2 3.4Å; E294-R298 PolarHBondContact OE1-NH2 3.15Å; E294-R298 IonicContact OE2-NH2 2.68Å; E294-R298 PolarHBondContact OE2-NH2 3.38Å; L295-R298 WeakPolarHBondContact O-CB 3.37Å; L295-R298 PolarHBondContact O-N 2.84Å; L296-R298 VanDerWaalsContact C-N 3.33Å; L296-R298 PolarHBondContact O-N 2.98Å; R298-H300 PolarHBondContact O-N 3.03Å; R298-Q301 PolarHBondContact O-N 2.82Å; R298-H302 PolarHBondContact O-N 3.48Å
299C97.8Very high96.6Very high24 Ų2469.8 Ų69.816%0.16234%0.344CS..Hα-helixtrans-65.6-35.8177.8-58.90000112.7L295 L296 H302 L303 Y330L295-C299 PolarHBondContact O-N 2.81Å; L295-C299 PolarHBondContact O-SG 3.22Å; L296-C299 PolarHBondContact O-N 2.91Å; L296-C299 VanDerWaalsContact O-N 3.15Å; C299-H302 WeakPolarHBondContact O-CB 3.12Å; C299-H302 PolarHBondContact O-N 2.93Å; C299-L303 PolarHBondContact O-N 2.96Å; C299-Y330 WeakPolarHBondContact CB-OH 3.41Å
300H97.8Very high96.6Very high9 Ų972.7 Ų72.74%0.04236%0.356CS..Hα-helixtrans-71.8-35.6175-59.8157.2000112.2W259 Y285 L296 A297 R298 H302 L303 M304 Y330W259-H300 AromaticContact CE2-CE1 3.53Å; W259-H300 AromaticContact CE2-ND1 3.89Å; W259-H300 AromaticContact CE2-NE2 3.77Å; W259-H300 AromaticContact CH2-CD2 3.72Å; W259-H300 AromaticContact CH2-NE2 3.81Å; W259-H300 AromaticContact CZ2-CD2 3.64Å; W259-H300 AromaticContact CZ2-CE1 3.51Å; W259-H300 AromaticContact CZ2-NE2 3.23Å; W259-H300 WeakPolarHBondContact CZ2-NE2 3.43Å; W259-H300 AromaticContact NE1-CE1 3.57Å; Y285-H300 AromaticContact CE1-ND1 3.81Å; Y285-H300 AromaticContact CZ-ND1 3.58Å; Y285-H300 PolarHBondContact OH-ND1 2.95Å; L296-H300 PolarHBondContact O-CD2 2.79Å; L296-H300 PolarHBondContact O-N 3.47Å; L296-H300 PolarHBondContact O-ND1 2.89Å; A297-H300 PolarHBondContact O-N 3.48Å; R298-H300 PolarHBondContact O-N 3.03Å; H300-H302 VanDerWaalsContact C-N 3.33Å; H300-L303 WeakPolarHBondContact O-CB 3.08Å; H300-L303 PolarHBondContact O-N 3.36Å; H300-M304 WeakPolarHBondContact O-CG 3.43Å; H300-M304 PolarHBondContact O-N 3.46Å; H300-Y330 AromaticContact CD2-CE1 3.82Å; H300-Y330 AromaticContact NE2-CE1 3.81Å
301Q97Very high96.6Very high120 Ų12066.9 Ų66.956%0.56133%0.327SS*.Hα-helixtrans-60.9-42.5169.3-72.6169.812.100111.5A297 R298 M304 Q305A297-Q301 VanDerWaalsContact O-CG 3.28Å; A297-Q301 WeakPolarHBondContact O-CG 3.21Å; A297-Q301 PolarHBondContact O-N 3.49Å; R298-Q301 PolarHBondContact O-N 2.82Å; Q301-M304 PolarHBondContact O-N 2.93Å; Q301-Q305 WeakPolarHBondContact O-CG 3.2Å; Q301-Q305 PolarHBondContact O-N 3.11Å
302H97.5Very high96.6Very high91 Ų9162.3 Ų62.342%0.42130%0.303SS..Hα-helixtrans-62.5-43174-175.3-81.2000111.8R298 C299 H300 M304 Q305 F306R298-H302 PolarHBondContact O-N 3.48Å; C299-H302 WeakPolarHBondContact O-CB 3.12Å; C299-H302 PolarHBondContact O-N 2.93Å; H300-H302 VanDerWaalsContact C-N 3.33Å; H302-M304 VanDerWaalsContact C-N 3.32Å; H302-M304 PolarHBondContact O-N 3.39Å; H302-Q305 PolarHBondContact O-N 3.41Å; H302-Q305 VanDerWaalsContact O-N 3.1Å; H302-F306 AromaticContact CD2-CD2 3.58Å; H302-F306 AromaticContact CD2-CE2 3.61Å; H302-F306 AromaticContact CE1-CD2 3.47Å; H302-F306 VanDerWaalsContact CE1-CD2 3.47Å; H302-F306 WeakPolarHBondContact CE1-CD2 3.46Å; H302-F306 AromaticContact CE1-CG 4Å; H302-F306 AromaticContact CG-CD2 3.8Å; H302-F306 AromaticContact ND1-CD2 3.74Å; H302-F306 AromaticContact NE2-CD2 3.37Å; H302-F306 WeakPolarHBondContact NE2-CD2 3.45Å; H302-F306 AromaticContact NE2-CE2 3.51Å; H302-F306 WeakPolarHBondContact O-CD2 3.37Å; H302-F306 PolarHBondContact O-N 2.84Å
303L97.9Very high96.6Very high0 Ų062.3 Ų62.30%030%0.304CS..Hα-helixtrans-57.2-42.7173.4174.163.1000112.3W259 C299 H300 Q305 G307 Y330 I332 I344W259-L303 HydrophobicContact CH2-CD2 3.89Å; W259-L303 HydrophobicContact CZ3-CD2 3.83Å; C299-L303 PolarHBondContact O-N 2.96Å; H300-L303 WeakPolarHBondContact O-CB 3.08Å; H300-L303 PolarHBondContact O-N 3.36Å; L303-Q305 VanDerWaalsContact C-N 3.27Å; L303-Q305 PolarHBondContact O-N 3.21Å; L303-G307 WeakPolarHBondContact O-CA 3.3Å; L303-G307 PolarHBondContact O-N 3.15Å; L303-Y330 HydrophobicContact CB-CD2 4.33Å; L303-Y330 HydrophobicContact CB-CE2 4.27Å; L303-Y330 HydrophobicContact CD1-CD2 3.9Å; L303-Y330 HydrophobicContact CD1-CG 4.46Å; L303-Y330 HydrophobicContact CD2-CD1 4.33Å; L303-Y330 HydrophobicContact CD2-CD2 3.81Å; L303-Y330 HydrophobicContact CD2-CE2 4.32Å; L303-Y330 HydrophobicContact CD2-CG 3.82Å; L303-Y330 HydrophobicContact CG-CD2 4.22Å; L303-I332 HydrophobicContact CD1-CG1 4.03Å; L303-I332 HydrophobicContact CG-CD1 4.46Å; L303-I332 HydrophobicContact CG-CG1 4.23Å; L303-I344 HydrophobicContact CD2-CG1 4.26Å; L303-I344 HydrophobicContact CD2-CG2 3.81Å
304M96.3Very high96.6Very high89 Ų8959.7 Ų59.744%0.43829%0.29SS..Hα-helixtrans-66.1-26.6176.8-66.8-57.411700113.4H300 Q301 H302 I332 I344H300-M304 WeakPolarHBondContact O-CG 3.43Å; H300-M304 PolarHBondContact O-N 3.46Å; Q301-M304 PolarHBondContact O-N 2.93Å; H302-M304 VanDerWaalsContact C-N 3.32Å; H302-M304 PolarHBondContact O-N 3.39Å; M304-I332 HydrophobicContact CE-CD1 3.8Å; M304-I332 HydrophobicContact CE-CG1 4.42Å; M304-I332 HydrophobicContact SD-CD1 4Å; M304-I344 HydrophobicContact CE-CD1 4.03Å; M304-I344 HydrophobicContact CE-CG1 4.05Å
305Q96.2Very high96.6Very high140 Ų14054.9 Ų54.965%0.65427%0.266SS*.Hα-helixtrans-83-42.2177.7-68.5170.826.700112.8Q301 H302 L303Q301-Q305 WeakPolarHBondContact O-CG 3.2Å; Q301-Q305 PolarHBondContact O-N 3.11Å; H302-Q305 PolarHBondContact O-N 3.41Å; H302-Q305 VanDerWaalsContact O-N 3.1Å; L303-Q305 VanDerWaalsContact C-N 3.27Å; L303-Q305 PolarHBondContact O-N 3.21Å
306F97.1Very high96.7Very high130 Ų13052.3 Ų52.357%0.5725%0.253SS*.Hα-helixtrans-106.5-4.4-170.5-66.3-80.1000114.6H302 K308H302-F306 AromaticContact CD2-CD2 3.58Å; H302-F306 AromaticContact CD2-CE2 3.61Å; H302-F306 AromaticContact CE1-CD2 3.47Å; H302-F306 VanDerWaalsContact CE1-CD2 3.47Å; H302-F306 WeakPolarHBondContact CE1-CD2 3.46Å; H302-F306 AromaticContact CE1-CG 4Å; H302-F306 AromaticContact CG-CD2 3.8Å; H302-F306 AromaticContact ND1-CD2 3.74Å; H302-F306 AromaticContact NE2-CD2 3.37Å; H302-F306 WeakPolarHBondContact NE2-CD2 3.45Å; H302-F306 AromaticContact NE2-CE2 3.51Å; H302-F306 WeakPolarHBondContact O-CD2 3.37Å; H302-F306 PolarHBondContact O-N 2.84Å; F306-K308 PolarHBondContact O-N 3.37Å; F306-K308 VanDerWaalsContact O-N 3.08Å
307G96.2Very high96.7Very high11 Ų1153.7 Ų53.711%0.11326%0.26CS..SBendtrans71.5-5.6179.200000115.1L303 Y331 I332L303-G307 WeakPolarHBondContact O-CA 3.3Å; L303-G307 PolarHBondContact O-N 3.15Å; G307-Y331 CarbonylContact O-C 3.55Å; G307-Y331 WeakPolarHBondContact O-CA 3.23Å; G307-I332 PolarHBondContact O-N 3.03Å
308K97.7Very high96.6Very high150 Ų15052.4 Ų52.465%0.65225%0.249SC*.EExtended strand (participates in β ladder)trans-156.6161.4174.162.3178.4-179.11760112F306 Y330F306-K308 PolarHBondContact O-N 3.37Å; F306-K308 VanDerWaalsContact O-N 3.08Å; K308-Y330 CarbonylContact C-O 3.49Å; K308-Y330 VanDerWaalsContact CA-O 3.24Å; K308-Y330 WeakPolarHBondContact CA-O 3.3Å
309G97.1Very high96.6Very high23 Ų2350.3 Ų50.324%0.23724%0.243CC..EExtended strand (participates in β ladder)trans-177.6-173.9175.300000114.3Y330G309-Y330 PolarHBondContact N-O 3.14Å; G309-Y330 WeakPolarHBondContact O-CD2 3.49Å; G309-Y330 PolarHBondContact O-N 2.87Å
310K96.7Very high96.2Very high93 Ų9351.7 Ų51.740%0.40426%0.261SS..EExtended strand (participates in β ladder)trans-124.5148.3169.4-167.5-167.8-168.3-141.10107Q327 T328 E359K310-Q327 HydrophobicContact CG-CG 4.41Å; K310-T328 CarbonylContact C-O 3.56Å; K310-T328 WeakPolarHBondContact CA-O 3.42Å; K310-E359 IonicContact NZ-OE2 2.85Å; K310-E359 PolarHBondContact NZ-OE2 3.47Å
311S96.8Very high95.9Very high6 Ų655.9 Ų55.94%0.04228%0.281CS..PPolyproline II helixtrans-83164.8168.469.70000111.6Q327 T328 Y330S311-Q327 PolarHBondContact O-NE2 3.21Å; S311-T328 PolarHBondContact N-O 3.42Å; S311-T328 PolarHBondContact OG-N 2.7Å; S311-Y330 VanDerWaalsContact CA-OH 3.31Å; S311-Y330 WeakPolarHBondContact CA-OH 3.18Å; S311-Y330 WeakPolarHBondContact CB-OH 3.39Å; S311-Y330 PolarHBondContact N-OH 2.99Å
312C94.1Very high95.6Very high10 Ų1052 Ų527%0.06826%0.263CS..PPolyproline II helixtrans-57.3167.6150.362.10000110.8L295L295-C312 HydrophobicContact CD2-CB 3.45Å; L295-C312 VanDerWaalsContact CD2-CB 3.45Å; L295-C312 HydrophobicContact CG-CB 3.85Å
313C94.9Very high95.4Very high10 Ų1049.1 Ų49.17%0.06825%0.248CC..PPolyproline II helixtrans-64.3137.1157.8-65.80000110.1W325 L326 V356 E359C313-W325 HydrophobicContact CB-CE3 4.08Å; C313-W325 HydrophobicContact CB-CZ3 4.3Å; C313-L326 WeakPolarHBondContact CA-O 3.41Å; C313-V356 HydrophobicContact CB-CG1 4.25Å; C313-V356 HydrophobicContact CB-CG2 3.88Å; C313-E359 PolarHBondContact N-OE1 2.98Å; C313-E359 PolarHBondContact SG-OE1 3.4Å
314Y95.7Very high95.2Very high2 Ų249.3 Ų49.31%0.00825%0.249CC..EExtended strand (participates in β ladder)trans-147.3162-179.970.2-88.9000111.2Y288 L296 F316 L326 T328 H348Y288-Y314 AromaticContact CD1-CD2 3.86Å; Y288-Y314 HydrophobicContact CD1-CD2 3.86Å; Y288-Y314 AromaticContact CD1-CE2 3.61Å; Y288-Y314 HydrophobicContact CD1-CE2 3.61Å; Y288-Y314 HydrophobicContact CE1-CD2 4.18Å; Y288-Y314 AromaticContact CE1-CE2 3.51Å; Y288-Y314 HydrophobicContact CE1-CE2 3.51Å; L296-Y314 HydrophobicContact CD1-CD1 4.49Å; L296-Y314 HydrophobicContact CD1-CD2 3.9Å; L296-Y314 HydrophobicContact CD1-CG 3.84Å; L296-Y314 HydrophobicContact CD2-CD1 3.68Å; L296-Y314 HydrophobicContact CD2-CD2 4.47Å; L296-Y314 HydrophobicContact CD2-CE1 4.11Å; L296-Y314 HydrophobicContact CD2-CG 3.87Å; L296-Y314 HydrophobicContact CG-CD1 4.49Å; L296-Y314 HydrophobicContact CG-CG 4.21Å; Y314-F316 HydrophobicContact CE2-CB 4.18Å; Y314-F316 HydrophobicContact CE2-CD2 4.36Å; Y314-L326 WeakPolarHBondContact CD1-O 3.44Å; Y314-L326 HydrophobicContact CE1-CB 4Å; Y314-L326 HydrophobicContact CE2-CB 4Å; Y314-L326 HydrophobicContact CE2-CD1 4.26Å; Y314-L326 PolarHBondContact N-O 2.92Å; Y314-L326 PolarHBondContact O-N 2.94Å; Y314-T328 WeakPolarHBondContact CE1-OG1 3.41Å; Y314-T328 PolarHBondContact OH-OG1 2.8Å; Y314-H348 PolarHBondContact OH-ND1 3.3Å
315R95.8Very high95.1Very high23 Ų2345.1 Ų45.19%0.08723%0.229CC..EExtended strand (participates in β ladder)trans-97.6132.7-179.8-71.1163.4-68.5176.94.3112.1E240 H289 D291 D292 W323 I324 W325E240-R315 WeakPolarHBondContact OE1-CD 3.07Å; E240-R315 IonicContact OE1-CZ 3.41Å; E240-R315 IonicContact OE1-NE 2.7Å; E240-R315 IonicContact OE1-NH1 2.64Å; E240-R315 PolarHBondContact OE1-NH1 3.05Å; H289-R315 HydrophobicContact CB-CB 3.7Å; H289-R315 PolarHBondContact N-O 3.42Å; H289-R315 VanDerWaalsContact N-O 3.11Å; H289-R315 PolarHBondContact ND1-NH2 3.16Å; H289-R315 VanDerWaalsContact ND1-NH2 3.15Å; D291-R315 IonicContact OD2-CZ 2.74Å; D291-R315 IonicContact OD2-NH1 2.66Å; D291-R315 IonicContact OD2-NH2 3.79Å; D291-R315 PolarHBondContact OD2-NH2 3.49Å; D292-R315 IonicContact OD1-CZ 3.9Å; D292-R315 IonicContact OD1-NE 2.67Å; D292-R315 IonicContact OD1-NH2 3.07Å; D292-R315 PolarHBondContact OD1-NH2 2.67Å; D292-R315 WeakPolarHBondContact OD2-CB 3.49Å; D292-R315 IonicContact OD2-CZ 3.66Å; D292-R315 PolarHBondContact OD2-N 3.4Å; D292-R315 IonicContact OD2-NE 2.71Å; D292-R315 PolarHBondContact OD2-NE 3.09Å; D292-R315 IonicContact OD2-NH2 3.55Å; R315-W323 HydrophobicContact CB-CB 4.15Å; R315-W323 HydrophobicContact CB-CD2 4.33Å; R315-W323 HydrophobicContact CB-CE3 3.88Å; R315-W323 HydrophobicContact CB-CG 4.47Å; R315-W323 HydrophobicContact CG-CB 4.35Å; R315-I324 WeakPolarHBondContact CA-O 3.23Å; R315-W325 VanDerWaalsContact CD-CZ2 3.41Å; R315-W325 HydrophobicContact CG-CD2 3.67Å; R315-W325 HydrophobicContact CG-CE3 3.82Å; R315-W325 HydrophobicContact CG-CG 4.34Å; R315-W325 HydrophobicContact CG-CH2 3.81Å; R315-W325 HydrophobicContact CG-CZ2 3.66Å; R315-W325 HydrophobicContact CG-CZ3 3.88Å
316F97.1Very high95Very high3 Ų338.4 Ų38.41%0.01320%0.198CC..EExtended strand (participates in β ladder)trans-117.6129.2177.7-172.7-82.8000110.6F261 I272 Y274 Y287 Y288 Y314 T318 W323 I324 L326F261-F316 HydrophobicContact CZ-CE2 4.43Å; I272-F316 HydrophobicContact CB-CD1 4.36Å; I272-F316 HydrophobicContact CB-CE1 3.94Å; I272-F316 HydrophobicContact CD1-CE1 3.88Å; I272-F316 HydrophobicContact CD1-CZ 4.09Å; I272-F316 HydrophobicContact CG2-CD1 3.7Å; I272-F316 HydrophobicContact CG2-CE1 3.68Å; Y274-F316 HydrophobicContact CD2-CE1 4.5Å; Y274-F316 HydrophobicContact CE2-CE1 4.2Å; Y287-F316 HydrophobicContact CD1-CE1 4.27Å; Y287-F316 AromaticContact CD1-CZ 3.9Å; Y287-F316 HydrophobicContact CD1-CZ 3.9Å; Y287-F316 HydrophobicContact CD2-CE2 4.48Å; Y287-F316 HydrophobicContact CD2-CZ 4.41Å; Y287-F316 HydrophobicContact CG-CE1 4.39Å; Y287-F316 AromaticContact CG-CE2 3.93Å; Y287-F316 HydrophobicContact CG-CE2 3.93Å; Y287-F316 AromaticContact CG-CZ 3.69Å; Y287-F316 HydrophobicContact CG-CZ 3.69Å; Y287-F316 CarbonylContact O-C 3.54Å; Y287-F316 WeakPolarHBondContact O-CA 3.41Å; Y288-F316 HydrophobicContact CD1-CD2 4.09Å; Y288-F316 AromaticContact CE1-CD2 3.98Å; Y288-F316 HydrophobicContact CE1-CD2 3.98Å; Y288-F316 HydrophobicContact CE1-CE2 4.38Å; Y314-F316 HydrophobicContact CE2-CB 4.18Å; Y314-F316 HydrophobicContact CE2-CD2 4.36Å; F316-T318 PolarHBondContact O-N 3.16Å; F316-W323 WeakPolarHBondContact O-CA 3.41Å; F316-I324 HydrophobicContact CB-CG1 4.15Å; F316-I324 PolarHBondContact N-O 2.97Å; F316-I324 PolarHBondContact O-N 2.75Å; F316-L326 HydrophobicContact CB-CD1 3.55Å; F316-L326 HydrophobicContact CB-CG 4.05Å; F316-L326 HydrophobicContact CD2-CD1 4.14Å; F316-L326 HydrophobicContact CG-CD1 3.84Å
317L97.1Very high95Very high29 Ų2933.3 Ų33.315%0.15218%0.175CC..EExtended strand (participates in β ladder)trans-78.2111.8-178.4-173.661.3000110.8L238 Y274 Y287 W323L238-L317 HydrophobicContact CD1-CD1 4.31Å; L238-L317 HydrophobicContact CD2-CD1 4.31Å; L238-L317 HydrophobicContact CG-CD1 4.29Å; Y274-L317 VanDerWaalsContact CE2-O 3.28Å; Y274-L317 WeakPolarHBondContact CE2-O 3.5Å; Y274-L317 PolarHBondContact OH-O 3.37Å; Y287-L317 PolarHBondContact O-N 3.34Å; L317-W323 HydrophobicContact CB-CE3 3.91Å; L317-W323 HydrophobicContact CB-CH2 3.93Å; L317-W323 HydrophobicContact CB-CZ3 3.55Å; L317-W323 HydrophobicContact CD1-CD2 4.24Å; L317-W323 HydrophobicContact CD1-CE3 4.38Å; L317-W323 HydrophobicContact CD1-CH2 4.34Å; L317-W323 HydrophobicContact CD1-CZ2 4.19Å; L317-W323 HydrophobicContact CD1-CZ3 4.44Å; L317-W323 HydrophobicContact CD2-CH2 4.47Å; L317-W323 HydrophobicContact CG-CH2 4.48Å; L317-W323 HydrophobicContact CG-CZ3 4.49Å
318T95.5Very high95Very high5 Ų532.9 Ų32.93%0.03117%0.171CC..  trans-74.7161.9173.776.40000111.4I272 F316 G320 Q321 Q322 I324I272-T318 WeakPolarHBondContact O-CA 3.48Å; F316-T318 PolarHBondContact O-N 3.16Å; T318-G320 PolarHBondContact O-N 2.99Å; T318-G320 VanDerWaalsContact O-N 3.15Å; T318-G320 PolarHBondContact OG1-N 2.97Å; T318-Q321 PolarHBondContact O-N 3.36Å; T318-Q322 PolarHBondContact N-O 2.81Å; T318-Q322 PolarHBondContact OG1-N 3.14Å; T318-Q322 PolarHBondContact OG1-O 2.87Å; T318-I324 HydrophobicContact CG2-CB 4.34Å; T318-I324 HydrophobicContact CG2-CD1 4.18Å; T318-I324 HydrophobicContact CG2-CG1 3.91Å; T318-I324 HydrophobicContact CG2-CG2 3.68Å
319K95.4Very high95.1Very high88 Ų8830.2 Ų30.238%0.38316%0.16SC..THydrogen-bonded Turntrans-60.8-19.5171.8-164.9179.7-173.7172.50113.3I272 G273 Y274 E278 Q321I272-K319 PolarHBondContact O-N 2.58Å; G273-K319 WeakPolarHBondContact O-CD 3.48Å; Y274-K319 HydrophobicContact CD1-CB 3.83Å; Y274-K319 HydrophobicContact CD1-CD 4.09Å; Y274-K319 HydrophobicContact CD1-CG 3.99Å; Y274-K319 HydrophobicContact CD2-CB 4.32Å; Y274-K319 HydrophobicContact CE1-CB 3.71Å; Y274-K319 HydrophobicContact CE1-CG 3.91Å; Y274-K319 HydrophobicContact CE2-CB 4.23Å; Y274-K319 HydrophobicContact CG-CB 4.13Å; E278-K319 WeakPolarHBondContact OE1-CE 3.39Å; E278-K319 IonicContact OE1-NZ 2.69Å; E278-K319 PolarHBondContact OE1-NZ 3.47Å; E278-K319 IonicContact OE2-NZ 3.57Å; E278-K319 PolarHBondContact OE2-NZ 3.2Å; K319-Q321 PolarHBondContact O-N 2.89Å
320G91.1Very high95.1Very high53 Ų5329.4 Ų29.455%0.54615%0.15SC..THydrogen-bonded Turntrans-77.84.1172.600000114.1T318 Q322T318-G320 PolarHBondContact O-N 2.99Å; T318-G320 VanDerWaalsContact O-N 3.15Å; T318-G320 PolarHBondContact OG1-N 2.97Å; G320-Q322 PolarHBondContact O-N 3.14Å
321Q91.2Very high95.2Very high97 Ų9730.6 Ų30.645%0.45315%0.153SC..SBendtrans62.127.2-174.3-58.6-61.2124.400113.7L238 T318 K319L238-Q321 HydrophobicContact CD1-CB 3.83Å; L238-Q321 WeakPolarHBondContact CD1-O 3.45Å; T318-Q321 PolarHBondContact O-N 3.36Å; K319-Q321 PolarHBondContact O-N 2.89Å
322Q90.9Very high95.3Very high40 Ų4030.9 Ų30.919%0.18715%0.154CC..EExtended strand (participates in β ladder)trans-107.3153.9173.5-64.3163.4-27.300110.1E91 K239 T318 G320E91-Q322 PolarHBondContact OE1-NE2 3.18Å; K239-Q322 CarbonylContact O-C 3.57Å; K239-Q322 WeakPolarHBondContact O-CA 3.35Å; T318-Q322 PolarHBondContact N-O 2.81Å; T318-Q322 PolarHBondContact OG1-N 3.14Å; T318-Q322 PolarHBondContact OG1-O 2.87Å; G320-Q322 PolarHBondContact O-N 3.14Å
323W93.2Very high95.5Very high29 Ų2932.3 Ų32.311%0.1116%0.162CC..EExtended strand (participates in β ladder)trans-97113.9172-63.5109.7000110L238 K239 E240 M241 H289 R315 F316 L317L238-W323 HydrophobicContact CD2-CZ2 3.64Å; K239-W323 PolarHBondContact O-N 3.49Å; E240-W323 CarbonylContact C-O 3.51Å; E240-W323 VanDerWaalsContact CA-O 3.29Å; E240-W323 WeakPolarHBondContact CA-O 3.28Å; E240-W323 HydrophobicContact CG-CB 4.06Å; M241-W323 PolarHBondContact N-O 2.9Å; H289-W323 HydrophobicContact CB-CD2 4.5Å; H289-W323 HydrophobicContact CB-CE3 4.04Å; H289-W323 HydrophobicContact CB-CH2 3.97Å; H289-W323 HydrophobicContact CB-CZ2 4.43Å; H289-W323 HydrophobicContact CB-CZ3 3.74Å; H289-W323 AromaticContact CD2-CD2 3.91Å; H289-W323 AromaticContact CD2-CE2 3.48Å; H289-W323 VanDerWaalsContact CD2-CE2 3.48Å; H289-W323 AromaticContact CD2-CH2 3.92Å; H289-W323 AromaticContact CD2-CZ2 3.5Å; H289-W323 VanDerWaalsContact CD2-CZ2 3.5Å; H289-W323 WeakPolarHBondContact CD2-CZ2 3.49Å; H289-W323 AromaticContact CD2-NE1 3.81Å; R315-W323 HydrophobicContact CB-CB 4.15Å; R315-W323 HydrophobicContact CB-CD2 4.33Å; R315-W323 HydrophobicContact CB-CE3 3.88Å; R315-W323 HydrophobicContact CB-CG 4.47Å; R315-W323 HydrophobicContact CG-CB 4.35Å; F316-W323 WeakPolarHBondContact O-CA 3.41Å; L317-W323 HydrophobicContact CB-CE3 3.91Å; L317-W323 HydrophobicContact CB-CH2 3.93Å; L317-W323 HydrophobicContact CB-CZ3 3.55Å; L317-W323 HydrophobicContact CD1-CD2 4.24Å; L317-W323 HydrophobicContact CD1-CE3 4.38Å; L317-W323 HydrophobicContact CD1-CH2 4.34Å; L317-W323 HydrophobicContact CD1-CZ2 4.19Å; L317-W323 HydrophobicContact CD1-CZ3 4.44Å; L317-W323 HydrophobicContact CD2-CH2 4.47Å; L317-W323 HydrophobicContact CG-CH2 4.48Å; L317-W323 HydrophobicContact CG-CZ3 4.49Å
324I93.3Very high95.6Very high4 Ų437 Ų372%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-91.3140.9167.558.4169.9000110.1M241 I271 I272 R315 F316 T318 L326M241-I324 HydrophobicContact CB-CG2 4.17Å; M241-I324 HydrophobicContact CE-CG2 3.71Å; I271-I324 HydrophobicContact CG2-CD1 3.78Å; I272-I324 HydrophobicContact CG2-CD1 3.51Å; I272-I324 HydrophobicContact CG2-CG1 4.5Å; R315-I324 WeakPolarHBondContact CA-O 3.23Å; F316-I324 HydrophobicContact CB-CG1 4.15Å; F316-I324 PolarHBondContact N-O 2.97Å; F316-I324 PolarHBondContact O-N 2.75Å; T318-I324 HydrophobicContact CG2-CB 4.34Å; T318-I324 HydrophobicContact CG2-CD1 4.18Å; T318-I324 HydrophobicContact CG2-CG1 3.91Å; T318-I324 HydrophobicContact CG2-CG2 3.68Å; I324-L326 HydrophobicContact CD1-CD1 4.31Å; I324-L326 HydrophobicContact CD1-CD2 3.69Å; I324-L326 HydrophobicContact CD1-CG 4.04Å; I324-L326 HydrophobicContact CG1-CD2 4.2Å; I324-L326 HydrophobicContact CG1-CG 4.11Å; I324-L326 PolarHBondContact O-N 2.66Å
325W93.8Very high95.6Very high1 Ų140.1 Ų40.10%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-78.8118.7170.8-77.998.6000109.6L177 E240 C313 R315 V351 Y353 V356L177-W325 HydrophobicContact CD1-CH2 3.94Å; L177-W325 HydrophobicContact CD1-CZ2 3.85Å; E240-W325 PolarHBondContact OE2-NE1 3.37Å; C313-W325 HydrophobicContact CB-CE3 4.08Å; C313-W325 HydrophobicContact CB-CZ3 4.3Å; R315-W325 VanDerWaalsContact CD-CZ2 3.41Å; R315-W325 HydrophobicContact CG-CD2 3.67Å; R315-W325 HydrophobicContact CG-CE3 3.82Å; R315-W325 HydrophobicContact CG-CG 4.34Å; R315-W325 HydrophobicContact CG-CH2 3.81Å; R315-W325 HydrophobicContact CG-CZ2 3.66Å; R315-W325 HydrophobicContact CG-CZ3 3.88Å; W325-V351 WeakPolarHBondContact CB-O 3.47Å; W325-V351 PolarHBondContact O-N 3.28Å; W325-Y353 AromaticContact NE1-CD2 3.87Å; W325-V356 HydrophobicContact CB-CG2 4.06Å; W325-V356 HydrophobicContact CD2-CB 4.48Å; W325-V356 HydrophobicContact CD2-CG1 4.14Å; W325-V356 HydrophobicContact CD2-CG2 3.77Å; W325-V356 HydrophobicContact CE3-CG1 3.9Å; W325-V356 HydrophobicContact CE3-CG2 3.8Å; W325-V356 HydrophobicContact CG-CG2 3.91Å; W325-V356 HydrophobicContact CH2-CG1 3.94Å; W325-V356 HydrophobicContact CZ2-CG1 4.17Å; W325-V356 HydrophobicContact CZ3-CG1 3.8Å
326L95.3Very high95.6Very high0 Ų047.3 Ų47.30%023%0.228CC..EExtended strand (participates in β ladder)trans-116151.7176.8-66.1-174.7000111F251 C313 Y314 F316 I324 H348 S349 V350F251-L326 HydrophobicContact CE1-CD1 4.11Å; F251-L326 HydrophobicContact CE1-CD2 4.13Å; F251-L326 HydrophobicContact CZ-CD1 3.94Å; C313-L326 WeakPolarHBondContact CA-O 3.41Å; Y314-L326 WeakPolarHBondContact CD1-O 3.44Å; Y314-L326 HydrophobicContact CE1-CB 4Å; Y314-L326 HydrophobicContact CE2-CB 4Å; Y314-L326 HydrophobicContact CE2-CD1 4.26Å; Y314-L326 PolarHBondContact N-O 2.92Å; Y314-L326 PolarHBondContact O-N 2.94Å; F316-L326 HydrophobicContact CB-CD1 3.55Å; F316-L326 HydrophobicContact CB-CG 4.05Å; F316-L326 HydrophobicContact CD2-CD1 4.14Å; F316-L326 HydrophobicContact CG-CD1 3.84Å; I324-L326 HydrophobicContact CD1-CD1 4.31Å; I324-L326 HydrophobicContact CD1-CD2 3.69Å; I324-L326 HydrophobicContact CD1-CG 4.04Å; I324-L326 HydrophobicContact CG1-CD2 4.2Å; I324-L326 HydrophobicContact CG1-CG 4.11Å; I324-L326 PolarHBondContact O-N 2.66Å; L326-H348 HydrophobicContact CD1-CB 4.36Å; L326-S349 WeakPolarHBondContact CA-O 3.15Å; L326-V350 HydrophobicContact CD2-CB 4.47Å; L326-V350 HydrophobicContact CD2-CG2 3.89Å
327Q95.6Very high95.5Very high22 Ų2257.6 Ų57.610%0.10327%0.267CS..EExtended strand (participates in β ladder)trans-133.4134.5161.9-167.8175.461.500109.1K310 S311 S349 V351 E359K310-Q327 HydrophobicContact CG-CG 4.41Å; S311-Q327 PolarHBondContact O-NE2 3.21Å; Q327-S349 PolarHBondContact N-O 3.36Å; Q327-S349 PolarHBondContact O-N 2.92Å; Q327-V351 HydrophobicContact CB-CG2 3.67Å; Q327-E359 PolarHBondContact NE2-OE1 2.92Å; Q327-E359 PolarHBondContact NE2-OE2 2.91Å
328T97.9Very high95.4Very high3 Ų360.2 Ų60.22%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-120.4131.4-168.2-61.20000111.6K310 S311 Y314 Y330 C346 T347 H348K310-T328 CarbonylContact C-O 3.56Å; K310-T328 WeakPolarHBondContact CA-O 3.42Å; S311-T328 PolarHBondContact N-O 3.42Å; S311-T328 PolarHBondContact OG-N 2.7Å; Y314-T328 WeakPolarHBondContact CE1-OG1 3.41Å; Y314-T328 PolarHBondContact OH-OG1 2.8Å; T328-Y330 HydrophobicContact CG2-CD1 3.55Å; T328-Y330 HydrophobicContact CG2-CE1 4.11Å; T328-Y330 HydrophobicContact CG2-CG 4.31Å; T328-C346 HydrophobicContact CG2-CB 3.73Å; T328-T347 WeakPolarHBondContact CA-O 3.31Å; T328-H348 PolarHBondContact OG1-ND1 2.83Å
329H98.3Very high95.4Very high93 Ų9364.7 Ų64.743%0.43131%0.313SS..EExtended strand (participates in β ladder)trans-97.7131.2165-65.888.2000108.7T347H329-T347 PolarHBondContact N-O 3.21Å; H329-T347 PolarHBondContact O-N 2.83Å
330Y97.9Very high95.4Very high6 Ų667 Ų672%0.02432%0.323CS..EExtended strand (participates in β ladder)trans-140.6151.9-176.233.7-134.5000114.1W259 C299 H300 L303 K308 G309 S311 T328 V345W259-Y330 HydrophobicContact CH2-CD1 4.08Å; W259-Y330 HydrophobicContact CH2-CE1 4.43Å; W259-Y330 HydrophobicContact CZ2-CD1 4.49Å; C299-Y330 WeakPolarHBondContact CB-OH 3.41Å; H300-Y330 AromaticContact CD2-CE1 3.82Å; H300-Y330 AromaticContact NE2-CE1 3.81Å; L303-Y330 HydrophobicContact CB-CD2 4.33Å; L303-Y330 HydrophobicContact CB-CE2 4.27Å; L303-Y330 HydrophobicContact CD1-CD2 3.9Å; L303-Y330 HydrophobicContact CD1-CG 4.46Å; L303-Y330 HydrophobicContact CD2-CD1 4.33Å; L303-Y330 HydrophobicContact CD2-CD2 3.81Å; L303-Y330 HydrophobicContact CD2-CE2 4.32Å; L303-Y330 HydrophobicContact CD2-CG 3.82Å; L303-Y330 HydrophobicContact CG-CD2 4.22Å; K308-Y330 CarbonylContact C-O 3.49Å; K308-Y330 VanDerWaalsContact CA-O 3.24Å; K308-Y330 WeakPolarHBondContact CA-O 3.3Å; G309-Y330 PolarHBondContact N-O 3.14Å; G309-Y330 WeakPolarHBondContact O-CD2 3.49Å; G309-Y330 PolarHBondContact O-N 2.87Å; S311-Y330 VanDerWaalsContact CA-OH 3.31Å; S311-Y330 WeakPolarHBondContact CA-OH 3.18Å; S311-Y330 WeakPolarHBondContact CB-OH 3.39Å; S311-Y330 PolarHBondContact N-OH 2.99Å; T328-Y330 HydrophobicContact CG2-CD1 3.55Å; T328-Y330 HydrophobicContact CG2-CE1 4.11Å; T328-Y330 HydrophobicContact CG2-CG 4.31Å; Y330-V345 WeakPolarHBondContact CA-O 3.39Å; Y330-V345 WeakPolarHBondContact CB-O 3.47Å
331Y98.5Very high95.7Very high119 Ų11967.3 Ų67.347%0.46732%0.315SS..EExtended strand (participates in β ladder)trans-148.8151.517564.2-86.8000111.8G307 I344 V345G307-Y331 CarbonylContact O-C 3.55Å; G307-Y331 WeakPolarHBondContact O-CA 3.23Å; Y331-I344 WeakPolarHBondContact O-CA 3.46Å; Y331-V345 HydrophobicContact CD1-CB 4.25Å; Y331-V345 HydrophobicContact CD2-CB 4.47Å; Y331-V345 HydrophobicContact CE1-CB 3.75Å; Y331-V345 HydrophobicContact CE1-CG1 3.88Å; Y331-V345 HydrophobicContact CE1-CG2 4.42Å; Y331-V345 HydrophobicContact CE2-CB 3.99Å; Y331-V345 HydrophobicContact CE2-CG2 3.82Å; Y331-V345 PolarHBondContact N-O 2.93Å; Y331-V345 VanDerWaalsContact N-O 3.07Å; Y331-V345 PolarHBondContact O-N 3.49Å
332I98.6Very high95.9Very high12 Ų1267.3 Ų67.36%0.06232%0.315CS..EExtended strand (participates in β ladder)trans-87128176.6-54.5-175.9000108.6L303 M304 G307 Y334 P341 I344L303-I332 HydrophobicContact CD1-CG1 4.03Å; L303-I332 HydrophobicContact CG-CD1 4.46Å; L303-I332 HydrophobicContact CG-CG1 4.23Å; M304-I332 HydrophobicContact CE-CD1 3.8Å; M304-I332 HydrophobicContact CE-CG1 4.42Å; M304-I332 HydrophobicContact SD-CD1 4Å; G307-I332 PolarHBondContact O-N 3.03Å; I332-Y334 HydrophobicContact CB-CE2 3.75Å; I332-Y334 HydrophobicContact CG2-CD2 4.25Å; I332-Y334 HydrophobicContact CG2-CE1 4.16Å; I332-Y334 HydrophobicContact CG2-CE2 3.78Å; I332-Y334 WeakPolarHBondContact O-CD2 3.42Å; I332-Y334 WeakPolarHBondContact O-CE2 3.38Å; I332-P341 HydrophobicContact CG2-CB 3.54Å; I332-I344 HydrophobicContact CG1-CG1 4.19Å
333T98.1Very high96.3Very high39 Ų3966.8 Ų66.824%0.23931%0.312CS..EExtended strand (participates in β ladder)trans-88.3131.5168.7-62.60000108.9E342 F343T333-E342 PolarHBondContact O-N 2.94Å; T333-F343 HydrophobicContact CG2-CE1 4.33Å; T333-F343 HydrophobicContact CG2-CE2 3.93Å; T333-F343 HydrophobicContact CG2-CZ 3.75Å; T333-F343 PolarHBondContact N-O 3.33Å; T333-F343 WeakPolarHBondContact OG1-CE2 3.34Å
334Y97.1Very high96.5Very high109 Ų10965.4 Ų65.443%0.42731%0.307SS..EExtended strand (participates in β ladder)trans-109.6133.7-179-63.3-97.1000110.7I332 Q336 K340 P341I332-Y334 HydrophobicContact CB-CE2 3.75Å; I332-Y334 HydrophobicContact CG2-CD2 4.25Å; I332-Y334 HydrophobicContact CG2-CE1 4.16Å; I332-Y334 HydrophobicContact CG2-CE2 3.78Å; I332-Y334 WeakPolarHBondContact O-CD2 3.42Å; I332-Y334 WeakPolarHBondContact O-CE2 3.38Å; Y334-Q336 PolarHBondContact O-N 2.99Å; Y334-K340 CarbonylContact C-O 3.55Å; Y334-K340 WeakPolarHBondContact CA-O 3.34Å; Y334-P341 HydrophobicContact CD1-CB 4.14Å; Y334-P341 HydrophobicContact CE1-CB 3.99Å
335H96.1Very high96.8Very high67 Ų6765.8 Ų65.831%0.3131%0.309SS..  trans-68119.1-177.2175.1-93.7000111W337 N338 S339 K340 E342H335-W337 AromaticContact CE1-CD1 3.73Å; H335-W337 AromaticContact NE2-CD1 3.92Å; H335-W337 PolarHBondContact O-N 2.83Å; H335-N338 PolarHBondContact ND1-ND2 2.98Å; H335-N338 PolarHBondContact ND1-OD1 2.89Å; H335-N338 PolarHBondContact O-N 2.98Å; H335-N338 PolarHBondContact O-OD1 2.93Å; H335-S339 PolarHBondContact O-N 3Å; H335-K340 PolarHBondContact N-O 3.34Å; H335-E342 HydrophobicContact CB-CB 4.38Å; H335-E342 WeakPolarHBondContact CB-OE2 3.4Å; H335-E342 IonicContact CD2-OE2 3.55Å; H335-E342 IonicContact CG-OE2 3.89Å
336Q95.5Very high97Very high174 Ų17465.7 Ų65.781%0.81331%0.309SS*.THydrogen-bonded Turntrans-54.6-28.3-162.8-63.6178.8-600115.4Y334Y334-Q336 PolarHBondContact O-N 2.99Å
337W94.7Very high97.2Very high219 Ų21967.5 Ų67.583%0.8332%0.32SS*.THydrogen-bonded Turntrans-97.7-10.8-171.8-53.7101.5000115.1H335H335-W337 AromaticContact CE1-CD1 3.73Å; H335-W337 AromaticContact NE2-CD1 3.92Å; H335-W337 PolarHBondContact O-N 2.83Å
338N96.1Very high97.3Very high85 Ų8566.6 Ų66.646%0.45532%0.316SS..THydrogen-bonded Turntrans-142.43.2-176.466.420.4000114.4H335 K340H335-N338 PolarHBondContact ND1-ND2 2.98Å; H335-N338 PolarHBondContact ND1-OD1 2.89Å; H335-N338 PolarHBondContact O-N 2.98Å; H335-N338 PolarHBondContact O-OD1 2.93Å; N338-K340 PolarHBondContact O-N 3.11Å; N338-K340 WeakPolarHBondContact OD1-CB 3.42Å; N338-K340 PolarHBondContact OD1-N 3.43Å; N338-K340 VanDerWaalsContact OD1-N 3.09Å
339S94.8Very high97.1Very high98 Ų9868.1 Ų68.169%0.68533%0.327SS*.  trans55.319.1178.7-52.30000115.2H335H335-S339 PolarHBondContact O-N 3Å
340K96.3Very high96.9Very high138 Ų13864.9 Ų64.960%0.631%0.313SS*.  trans-80.8143.5173.6-67-170.6175.3-172.90110.3Y334 H335 N338Y334-K340 CarbonylContact C-O 3.55Å; Y334-K340 WeakPolarHBondContact CA-O 3.34Å; H335-K340 PolarHBondContact N-O 3.34Å; N338-K340 PolarHBondContact O-N 3.11Å; N338-K340 WeakPolarHBondContact OD1-CB 3.42Å; N338-K340 PolarHBondContact OD1-N 3.43Å; N338-K340 VanDerWaalsContact OD1-N 3.09Å
341P96.5Very high96.5Very high59 Ų5965.5 Ų65.538%0.38332%0.318SS..EExtended strand (participates in β ladder)trans-62.8137.4170.929.2-35.8000110L257 I332 Y334L257-P341 HydrophobicContact CD1-CB 4.01Å; L257-P341 HydrophobicContact CD1-CG 3.74Å; L257-P341 HydrophobicContact CD2-CB 4.03Å; I332-P341 HydrophobicContact CG2-CB 3.54Å; Y334-P341 HydrophobicContact CD1-CB 4.14Å; Y334-P341 HydrophobicContact CE1-CB 3.99Å
342E95.9Very high96.1Very high97 Ų9761.2 Ų61.245%0.45331%0.305SS..EExtended strand (participates in β ladder)trans-111.6-53.6-173.2-163.8-176.413800111.3T333 H335T333-E342 PolarHBondContact O-N 2.94Å; H335-E342 HydrophobicContact CB-CB 4.38Å; H335-E342 WeakPolarHBondContact CB-OE2 3.4Å; H335-E342 IonicContact CD2-OE2 3.55Å; H335-E342 IonicContact CG-OE2 3.89Å
343F98.2Very high95.6Very high28 Ų2861 Ų6112%0.12330%0.304CS..EExtended strand (participates in β ladder)trans-154.6159.2173.951.9-99.8000110.7R254 H255 L262 T333 V345R254-F343 HydrophobicContact CB-CD2 4.3Å; R254-F343 HydrophobicContact CG-CD2 4.26Å; R254-F343 HydrophobicContact CG-CE2 4.47Å; H255-F343 WeakPolarHBondContact O-CA 3.21Å; H255-F343 WeakPolarHBondContact O-CB 3.49Å; L262-F343 HydrophobicContact CD1-CB 4.07Å; T333-F343 HydrophobicContact CG2-CE1 4.33Å; T333-F343 HydrophobicContact CG2-CE2 3.93Å; T333-F343 HydrophobicContact CG2-CZ 3.75Å; T333-F343 PolarHBondContact N-O 3.33Å; T333-F343 WeakPolarHBondContact OG1-CE2 3.34Å; F343-V345 HydrophobicContact CD2-CG2 3.84Å; F343-V345 HydrophobicContact CE2-CG2 3.61Å
344I98.8Very high95.2Very high0 Ų060.8 Ų60.80%031%0.306CS..EExtended strand (participates in β ladder)trans-87.8139.4166.1-57.7101.2000108.6R254 H255 S256 L257 W259 L303 M304 Y331 I332R254-I344 CarbonylContact C-O 3.51Å; R254-I344 WeakPolarHBondContact CA-O 3.42Å; R254-I344 WeakPolarHBondContact CB-O 3.39Å; H255-I344 HydrophobicContact CB-CB 4.44Å; H255-I344 PolarHBondContact N-O 2.59Å; H255-I344 PolarHBondContact O-N 2.77Å; S256-I344 WeakPolarHBondContact O-CD1 3.47Å; L257-I344 HydrophobicContact CD2-CD1 3.88Å; W259-I344 HydrophobicContact CE3-CD1 4Å; W259-I344 HydrophobicContact CH2-CG2 4.14Å; W259-I344 HydrophobicContact CZ3-CB 4.19Å; W259-I344 HydrophobicContact CZ3-CD1 3.87Å; W259-I344 HydrophobicContact CZ3-CG1 3.93Å; W259-I344 HydrophobicContact CZ3-CG2 3.99Å; L303-I344 HydrophobicContact CD2-CG1 4.26Å; L303-I344 HydrophobicContact CD2-CG2 3.81Å; M304-I344 HydrophobicContact CE-CD1 4.03Å; M304-I344 HydrophobicContact CE-CG1 4.05Å; Y331-I344 WeakPolarHBondContact O-CA 3.46Å; I332-I344 HydrophobicContact CG1-CG1 4.19Å
345V98.8Very high94.8Very high12 Ų1259.9 Ų59.97%0.07331%0.308CS..EExtended strand (participates in β ladder)trans-102.9133.4165.2-175.60000108.2T252 R254 Y330 Y331 F343T252-V345 HydrophobicContact CG2-CG1 4.17Å; R254-V345 HydrophobicContact CG-CG1 4.49Å; R254-V345 HydrophobicContact CG-CG2 4.16Å; Y330-V345 WeakPolarHBondContact CA-O 3.39Å; Y330-V345 WeakPolarHBondContact CB-O 3.47Å; Y331-V345 HydrophobicContact CD1-CB 4.25Å; Y331-V345 HydrophobicContact CD2-CB 4.47Å; Y331-V345 HydrophobicContact CE1-CB 3.75Å; Y331-V345 HydrophobicContact CE1-CG1 3.88Å; Y331-V345 HydrophobicContact CE1-CG2 4.42Å; Y331-V345 HydrophobicContact CE2-CB 3.99Å; Y331-V345 HydrophobicContact CE2-CG2 3.82Å; Y331-V345 PolarHBondContact N-O 2.93Å; Y331-V345 VanDerWaalsContact N-O 3.07Å; Y331-V345 PolarHBondContact O-N 3.49Å; F343-V345 HydrophobicContact CD2-CG2 3.84Å; F343-V345 HydrophobicContact CE2-CG2 3.61Å
346C98.8Very high94.5Very high0 Ų056.8 Ų56.80%029%0.294CS..EExtended strand (participates in β ladder)trans-123.8125.5177.8-62.50000109.6T252 S253 T328 H348T252-C346 WeakPolarHBondContact CA-O 3.47Å; S253-C346 PolarHBondContact N-O 3.39Å; S253-C346 PolarHBondContact O-N 3.42Å; S253-C346 WeakPolarHBondContact OG-CB 3.46Å; T328-C346 HydrophobicContact CG2-CB 3.73Å; C346-H348 WeakPolarHBondContact CB-NE2 3.27Å
347T98.2Very high94.1Very high37 Ų3749.9 Ų49.923%0.22726%0.261CS..EExtended strand (participates in β ladder)trans-103.7114.1164.1-61.30000107.6E250 T328 H329E250-T347 WeakPolarHBondContact OE2-CG2 3.23Å; T328-T347 WeakPolarHBondContact CA-O 3.31Å; H329-T347 PolarHBondContact N-O 3.21Å; H329-T347 PolarHBondContact O-N 2.83Å
348H97.6Very high93.8Very high4 Ų443.4 Ų43.42%0.01925%0.245CC..EExtended strand (participates in β ladder)trans-97.3129.4179.5-48.7-83.4000108.7E250 F251 S253 Y314 L326 T328 C346E250-H348 CarbonylContact C-O 3.53Å; E250-H348 WeakPolarHBondContact CA-O 3.3Å; E250-H348 VanDerWaalsContact CB-O 3.31Å; E250-H348 WeakPolarHBondContact CB-O 3.43Å; F251-H348 HydrophobicContact CD1-CB 3.99Å; F251-H348 HydrophobicContact CD2-CB 4.29Å; F251-H348 AromaticContact CD2-CD2 3.54Å; F251-H348 HydrophobicContact CE1-CB 3.68Å; F251-H348 HydrophobicContact CE2-CB 4.01Å; F251-H348 AromaticContact CE2-CD2 3.23Å; F251-H348 WeakPolarHBondContact CE2-CD2 3.4Å; F251-H348 AromaticContact CE2-CG 3.72Å; F251-H348 AromaticContact CE2-NE2 3.94Å; F251-H348 HydrophobicContact CG-CB 4.3Å; F251-H348 HydrophobicContact CZ-CB 3.7Å; F251-H348 AromaticContact CZ-CD2 3.78Å; F251-H348 AromaticContact CZ-CG 3.76Å; F251-H348 PolarHBondContact N-O 3.01Å; F251-H348 PolarHBondContact O-CD2 3.28Å; F251-H348 PolarHBondContact O-N 3.4Å; S253-H348 PolarHBondContact OG-NE2 2.98Å; Y314-H348 PolarHBondContact OH-ND1 3.3Å; L326-H348 HydrophobicContact CD1-CB 4.36Å; T328-H348 PolarHBondContact OG1-ND1 2.83Å; C346-H348 WeakPolarHBondContact CB-NE2 3.27Å
349S94.8Very high93.3Very high34 Ų3441.6 Ų41.624%0.23823%0.234CC..EExtended strand (participates in β ladder)trans-112.6135172-54.80000108.9L326 Q327L326-S349 WeakPolarHBondContact CA-O 3.15Å; Q327-S349 PolarHBondContact N-O 3.36Å; Q327-S349 PolarHBondContact O-N 2.92Å
350V93.3Very high92.8Very high25 Ų2540.2 Ų40.215%0.15221%0.214CC..EExtended strand (participates in β ladder)trans-70.6140.4168.1-176.30000109.1V244 E249 I271 L326V244-V350 HydrophobicContact CG1-CG1 4.3Å; V244-V350 HydrophobicContact CG2-CG1 3.73Å; E249-V350 HydrophobicContact CB-CB 4.17Å; E249-V350 HydrophobicContact CB-CG2 3.78Å; E249-V350 WeakPolarHBondContact O-CG2 3.31Å; E249-V350 PolarHBondContact O-N 3Å; I271-V350 HydrophobicContact CG2-CG2 3.6Å; L326-V350 HydrophobicContact CD2-CB 4.47Å; L326-V350 HydrophobicContact CD2-CG2 3.89Å
351V91Very high92.2Very high20 Ų2040.1 Ų40.112%0.12121%0.21CC..  trans-129.3138.8-174.4-177.20000109.5W325 Q327 D355 V356W325-V351 WeakPolarHBondContact CB-O 3.47Å; W325-V351 PolarHBondContact O-N 3.28Å; Q327-V351 HydrophobicContact CB-CG2 3.67Å; V351-D355 HydrophobicContact CG1-CB 3.67Å; V351-V356 HydrophobicContact CG1-CG2 3.93Å
352S89.4Confident91.6Very high28 Ų2843.5 Ų43.520%0.19622%0.22CC..  trans-74.3150.9178.184.70000111.7A354 D355 V356S352-A354 PolarHBondContact O-N 2.94Å; S352-A354 VanDerWaalsContact O-N 3.16Å; S352-A354 PolarHBondContact OG-N 2.83Å; S352-D355 WeakPolarHBondContact CB-OD2 3.17Å; S352-D355 PolarHBondContact N-OD2 3.33Å; S352-D355 PolarHBondContact O-N 3.47Å; S352-D355 VanDerWaalsContact OG-CG 3.27Å; S352-D355 PolarHBondContact OG-N 3.15Å; S352-D355 PolarHBondContact OG-OD2 2.86Å; S352-V356 WeakPolarHBondContact O-CG2 3.34Å; S352-V356 PolarHBondContact O-N 3.39Å; S352-V356 VanDerWaalsContact O-N 3.09Å
353Y88.9Confident90.9Very high8 Ų842.8 Ų42.83%0.03122%0.217CC..Hα-helixtrans-60.3-25.6174.6179.4-106.5000112.7T114 G118 L120 L177 W325 R357T114-Y353 HydrophobicContact CG2-CD1 3.21Å; T114-Y353 HydrophobicContact CG2-CE1 3.65Å; T114-Y353 HydrophobicContact CG2-CG 4.01Å; G118-Y353 WeakPolarHBondContact CA-OH 3.16Å; G118-Y353 VanDerWaalsContact O-CE1 3.29Å; G118-Y353 WeakPolarHBondContact O-CE1 3.3Å; G118-Y353 PolarHBondContact O-OH 3.22Å; L120-Y353 HydrophobicContact CD2-CD1 3.91Å; L177-Y353 HydrophobicContact CD1-CE2 4.36Å; L177-Y353 HydrophobicContact CD2-CE2 3.66Å; L177-Y353 HydrophobicContact CG-CE2 4.17Å; W325-Y353 AromaticContact NE1-CD2 3.87Å; Y353-R357 VanDerWaalsContact CE1-CD 3.48Å; Y353-R357 HydrophobicContact CE1-CG 4.24Å; Y353-R357 WeakPolarHBondContact O-CG 3.46Å; Y353-R357 PolarHBondContact O-N 3.47Å; Y353-R357 VanDerWaalsContact O-N 3.1Å
354A88.9Confident89.9Confident35 Ų3543.9 Ų43.929%0.28922%0.224SC..Hα-helixtrans-66.7-43.8173.100000112.1L120 S352 R357 V358L120-A354 HydrophobicContact CD1-CB 3.8Å; L120-A354 HydrophobicContact CD2-CB 4.1Å; S352-A354 PolarHBondContact O-N 2.94Å; S352-A354 VanDerWaalsContact O-N 3.16Å; S352-A354 PolarHBondContact OG-N 2.83Å; A354-R357 PolarHBondContact O-N 3Å; A354-V358 WeakPolarHBondContact O-CG2 3.42Å; A354-V358 PolarHBondContact O-N 2.92Å; A354-V358 VanDerWaalsContact O-N 3.13Å
355D88.9Confident88.8Confident90 Ų9047.4 Ų47.448%0.48125%0.253SS..Hα-helixtrans-66.4-40.6176.9-59.2-58000111.4V351 S352 R357 V358 E359V351-D355 HydrophobicContact CG1-CB 3.67Å; S352-D355 WeakPolarHBondContact CB-OD2 3.17Å; S352-D355 PolarHBondContact N-OD2 3.33Å; S352-D355 PolarHBondContact O-N 3.47Å; S352-D355 VanDerWaalsContact OG-CG 3.27Å; S352-D355 PolarHBondContact OG-N 3.15Å; S352-D355 PolarHBondContact OG-OD2 2.86Å; D355-R357 VanDerWaalsContact C-N 3.29Å; D355-R357 PolarHBondContact O-N 3.3Å; D355-V358 WeakPolarHBondContact O-CA 3.41Å; D355-V358 WeakPolarHBondContact O-CB 3.39Å; D355-V358 PolarHBondContact O-N 3.39Å; D355-E359 PolarHBondContact O-N 2.89Å
356V89.9Confident87.6Confident1 Ų153.4 Ų53.41%0.00628%0.284CS..Hα-helixtrans-58.3-41174.4177.60000111.3L177 C313 W325 V351 S352 V358 R360L177-V356 HydrophobicContact CD1-CG1 4.45Å; C313-V356 HydrophobicContact CB-CG1 4.25Å; C313-V356 HydrophobicContact CB-CG2 3.88Å; W325-V356 HydrophobicContact CB-CG2 4.06Å; W325-V356 HydrophobicContact CD2-CB 4.48Å; W325-V356 HydrophobicContact CD2-CG1 4.14Å; W325-V356 HydrophobicContact CD2-CG2 3.77Å; W325-V356 HydrophobicContact CE3-CG1 3.9Å; W325-V356 HydrophobicContact CE3-CG2 3.8Å; W325-V356 HydrophobicContact CG-CG2 3.91Å; W325-V356 HydrophobicContact CH2-CG1 3.94Å; W325-V356 HydrophobicContact CZ2-CG1 4.17Å; W325-V356 HydrophobicContact CZ3-CG1 3.8Å; V351-V356 HydrophobicContact CG1-CG2 3.93Å; S352-V356 WeakPolarHBondContact O-CG2 3.34Å; S352-V356 PolarHBondContact O-N 3.39Å; S352-V356 VanDerWaalsContact O-N 3.09Å; V356-V358 VanDerWaalsContact C-N 3.31Å; V356-V358 PolarHBondContact O-N 2.97Å; V356-R360 WeakPolarHBondContact O-CB 3.36Å; V356-R360 PolarHBondContact O-N 3.45Å
357R87.4Confident85.8Confident30 Ų3061.1 Ų61.111%0.11332%0.32CS..Hα-helixtrans-66.4-29.5173.7-75.2176.884.3-139.810.6113L120 D123 L177 Y353 A354 D355 R361L120-R357 VanDerWaalsContact CD1-NH1 3.29Å; D123-R357 IonicContact OD1-NH1 3.17Å; D123-R357 IonicContact OD2-CZ 2.69Å; D123-R357 IonicContact OD2-NH1 2.82Å; D123-R357 PolarHBondContact OD2-NH1 3.34Å; D123-R357 IonicContact OD2-NH2 3.4Å; D123-R357 PolarHBondContact OD2-NH2 2.94Å; L177-R357 HydrophobicContact CD2-CG 3.46Å; L177-R357 VanDerWaalsContact CD2-CG 3.46Å; Y353-R357 VanDerWaalsContact CE1-CD 3.48Å; Y353-R357 HydrophobicContact CE1-CG 4.24Å; Y353-R357 WeakPolarHBondContact O-CG 3.46Å; Y353-R357 PolarHBondContact O-N 3.47Å; Y353-R357 VanDerWaalsContact O-N 3.1Å; A354-R357 PolarHBondContact O-N 3Å; D355-R357 VanDerWaalsContact C-N 3.29Å; D355-R357 PolarHBondContact O-N 3.3Å; R357-R361 WeakPolarHBondContact O-CB 3.4Å; R357-R361 WeakPolarHBondContact O-CG 3.37Å; R357-R361 PolarHBondContact O-N 2.92Å
358V87.2Confident83.5Confident82 Ų8263.6 Ų63.650%0.49733%0.331SS..Hα-helixtrans-75.6-49.5175.3173.80000110.9A354 D355 V356 R360 R361 Q362A354-V358 WeakPolarHBondContact O-CG2 3.42Å; A354-V358 PolarHBondContact O-N 2.92Å; A354-V358 VanDerWaalsContact O-N 3.13Å; D355-V358 WeakPolarHBondContact O-CA 3.41Å; D355-V358 WeakPolarHBondContact O-CB 3.39Å; D355-V358 PolarHBondContact O-N 3.39Å; V356-V358 VanDerWaalsContact C-N 3.31Å; V356-V358 PolarHBondContact O-N 2.97Å; V358-R360 PolarHBondContact O-N 3.19Å; V358-R361 PolarHBondContact O-N 3.08Å; V358-Q362 PolarHBondContact O-N 2.82Å; V358-Q362 VanDerWaalsContact O-N 3.09Å
359E86.4Confident80.9Confident48 Ų4867.4 Ų67.422%0.22436%0.357CS..Hα-helixtrans-58.7-49.1179.3-171.1169.396.100110.9K310 C313 Q327 D355 R361 Q362 E363K310-E359 IonicContact NZ-OE2 2.85Å; K310-E359 PolarHBondContact NZ-OE2 3.47Å; C313-E359 PolarHBondContact N-OE1 2.98Å; C313-E359 PolarHBondContact SG-OE1 3.4Å; Q327-E359 PolarHBondContact NE2-OE1 2.92Å; Q327-E359 PolarHBondContact NE2-OE2 2.91Å; D355-E359 PolarHBondContact O-N 2.89Å; E359-R361 PolarHBondContact O-N 3.04Å; E359-Q362 WeakPolarHBondContact O-CA 3.34Å; E359-Q362 WeakPolarHBondContact O-CB 3.36Å; E359-Q362 PolarHBondContact O-N 3.3Å; E359-E363 PolarHBondContact O-N 3.24Å
360R84.3Confident78.4Confident69 Ų6971.8 Ų71.826%0.2638%0.384SS..Hα-helixtrans-67.2-34-179.3-170174.5-70.2-149.7-0.3113.8L177 V356 V358 Q362 E363 L364L177-R360 VanDerWaalsContact O-CD 3.23Å; L177-R360 WeakPolarHBondContact O-CD 3.47Å; V356-R360 WeakPolarHBondContact O-CB 3.36Å; V356-R360 PolarHBondContact O-N 3.45Å; V358-R360 PolarHBondContact O-N 3.19Å; R360-Q362 VanDerWaalsContact C-N 3.27Å; R360-Q362 PolarHBondContact O-N 2.98Å; R360-E363 PolarHBondContact O-N 2.88Å; R360-L364 HydrophobicContact CG-CD1 4.14Å; R360-L364 HydrophobicContact CG-CG 4.42Å; R360-L364 WeakPolarHBondContact O-CB 3.26Å; R360-L364 VanDerWaalsContact O-CG 3.31Å; R360-L364 WeakPolarHBondContact O-CG 3.32Å; R360-L364 PolarHBondContact O-N 3.23Å
361R83.4Confident76.1Confident136 Ų13676.2 Ų76.251%0.51342%0.417SS..Hα-helixtrans-63.6-35.7171-79-177.1-144.8133.6-5.1111.4R357 V358 E359 A365R357-R361 WeakPolarHBondContact O-CB 3.4Å; R357-R361 WeakPolarHBondContact O-CG 3.37Å; R357-R361 PolarHBondContact O-N 2.92Å; V358-R361 PolarHBondContact O-N 3.08Å; E359-R361 PolarHBondContact O-N 3.04Å; R361-A365 WeakPolarHBondContact O-CB 3.25Å; R361-A365 PolarHBondContact O-N 3.36Å; R361-A365 VanDerWaalsContact O-N 3.1Å
362Q83.8Confident73.9Confident130 Ų13084.5 Ų84.561%0.60745%0.454SS*.Hα-helixtrans-70.4-40.9176.9-169.8172.212.100111.9V358 E359 R360 A365 L366V358-Q362 PolarHBondContact O-N 2.82Å; V358-Q362 VanDerWaalsContact O-N 3.09Å; E359-Q362 WeakPolarHBondContact O-CA 3.34Å; E359-Q362 WeakPolarHBondContact O-CB 3.36Å; E359-Q362 PolarHBondContact O-N 3.3Å; R360-Q362 VanDerWaalsContact C-N 3.27Å; R360-Q362 PolarHBondContact O-N 2.98Å; Q362-A365 PolarHBondContact O-N 2.81Å; Q362-L366 WeakPolarHBondContact O-CG 3.28Å; Q362-L366 PolarHBondContact O-N 2.89Å
363E80.3Confident71.4Confident81 Ų8187.8 Ų87.838%0.37948%0.483SS..Hα-helixtrans-60.9-49.1173.1-67.8-177.7137.700111.8E359 R360 A365 L366 E367E359-E363 PolarHBondContact O-N 3.24Å; R360-E363 PolarHBondContact O-N 2.88Å; E363-A365 VanDerWaalsContact C-N 3.27Å; E363-A365 PolarHBondContact O-N 3.06Å; E363-L366 WeakPolarHBondContact O-CB 3.44Å; E363-L366 PolarHBondContact O-N 2.68Å; E363-E367 PolarHBondContact O-N 3.22Å; E363-E367 VanDerWaalsContact O-N 3.11Å
364L77.1Confident69.1Low52 Ų5294.7 Ų94.727%0.27252%0.52SS..Hα-helixtrans-64.1-30.5179.8-70.2170.5000113P179 R360 L366 D368P179-L364 HydrophobicContact CG-CD1 4.49Å; R360-L364 HydrophobicContact CG-CD1 4.14Å; R360-L364 HydrophobicContact CG-CG 4.42Å; R360-L364 WeakPolarHBondContact O-CB 3.26Å; R360-L364 VanDerWaalsContact O-CG 3.31Å; R360-L364 WeakPolarHBondContact O-CG 3.32Å; R360-L364 PolarHBondContact O-N 3.23Å; L364-L366 PolarHBondContact O-N 3.19Å; L364-D368 PolarHBondContact O-N 3.17Å
365A77Confident66.6Low74 Ų74100.8 Ų100.861%0.61254%0.541SS*.Hα-helixtrans-75-8.2173.900000114.1R361 Q362 E363R361-A365 WeakPolarHBondContact O-CB 3.25Å; R361-A365 PolarHBondContact O-N 3.36Å; R361-A365 VanDerWaalsContact O-N 3.1Å; Q362-A365 PolarHBondContact O-N 2.81Å; E363-A365 VanDerWaalsContact C-N 3.27Å; E363-A365 PolarHBondContact O-N 3.06Å
366L72.5Confident63.7Low137 Ų137102.5 Ų102.572%0.71756%0.561SS**Hα-helixtrans-99-31.8172.7-66166.6000111.9Q362 E363 L364Q362-L366 WeakPolarHBondContact O-CG 3.28Å; Q362-L366 PolarHBondContact O-N 2.89Å; E363-L366 WeakPolarHBondContact O-CB 3.44Å; E363-L366 PolarHBondContact O-N 2.68Å; L364-L366 PolarHBondContact O-N 3.19Å
367E62.3Low61Low162 Ų162107.7 Ų107.776%0.75760%0.597SS**Hα-helixtrans-75.4-19.1175.5-74.6-79.5104.200113.8E363 P369E363-E367 PolarHBondContact O-N 3.22Å; E363-E367 VanDerWaalsContact O-N 3.11Å; E367-P369 WeakPolarHBondContact O-CD 3.39Å
368D48.5Very low58.5Low89 Ų89110.9 Ų110.948%0.47663%0.63SS.*SBendtrans-10982.4-179-139.9-16.2000111.2K180 L364K180-D368 VanDerWaalsContact CE-OD2 3.26Å; K180-D368 WeakPolarHBondContact CE-OD2 3.17Å; K180-D368 IonicContact NZ-OD1 3.64Å; K180-D368 IonicContact NZ-OD2 2.79Å; K180-D368 PolarHBondContact NZ-OD2 2.88Å; L364-D368 PolarHBondContact O-N 3.17Å
369P43.4Very low56.1Low85 Ų85115.4 Ų115.455%0.55265%0.65SS**  trans-67.5137.8-176.327.3-34.9000111.2E367 S371E367-P369 WeakPolarHBondContact O-CD 3.39Å; P369-S371 PolarHBondContact O-N 3.35Å; P369-S371 PolarHBondContact O-OG 2.77Å
370P41.8Very low53.6Low125 Ų125122.4 Ų122.481%0.81268%0.68SS**  trans-61.4107.5178.425.8-34.4000110E372P370-E372 PolarHBondContact O-N 3.15Å
371S45.2Very low50.9Low119 Ų119124.9 Ų124.983%0.83270%0.698SS**SBendtrans-81.651.2-168.2-71.30000113.1P369P369-S371 PolarHBondContact O-N 3.35Å; P369-S371 PolarHBondContact O-OG 2.77Å
372E45.4Very low48.4Very low193 Ų193126.9 Ų126.990%0.90271%0.711SS**  trans-152.569.2174.5-139.3172.7-122.400113.1P370P370-E372 PolarHBondContact O-N 3.15Å
373A37.6Very low45.7Very low97 Ų97123.7 Ų123.780%0.80271%0.712SS**  trans-152.546.1173.200000113.6H375A373-H375 PolarHBondContact O-N 3.13Å
374L38.8Very low43.2Very low154 Ų154125.7 Ų125.781%0.80674%0.735SS**  trans-70112.7179.7-79.1172.3000112.7
375H37.3Very low40.8Very low162 Ų162127.7 Ų127.775%0.7575%0.754SS**  trans59.4116.5160.3-55-68.7000119.8A373A373-H375 PolarHBondContact O-N 3.13Å
376S27.6Very low38.7Very low127 Ų127131.9 Ų131.989%0.88877%0.765SS**  trans-148.957.1150.151.60000113.4A378S376-A378 PolarHBondContact O-N 3.34Å
377S32.9Very low36.6Very low110 Ų110132.9 Ų132.977%0.76977%0.766SS**  trans-90.399.3173.260.50000112.6
378A36.7Very low35.7Very low96 Ų96129.9 Ų129.979%0.79376%0.761SS**  trans16.7127.2158.100000121.3S376S376-A378 PolarHBondContact O-N 3.34Å
379L35Very low34.6Very low178 Ų178134 Ų13493%0.93277%0.769SS**  trans-151.6159.6135.4-112.1174.8000111.5
380K33.7Very low34Very low195 Ų195136.6 Ų136.685%0.84877%0.774SS**  trans-96.6144.9174.9-64.5173.7176.9174.30110.2
381D28.2Very low33.2Very low121 Ų121136.2 Ų136.265%0.64776%0.762SS**  -179.1-179.398.8-156.57.4000111.7
382K31.8Very low32.4Very low178 Ų178138.8 Ų138.877%0.77476%0.758SS**  trans-40.4148177.6-50.9124.3-164.5146.10113.9
383G26.7Very low31.7Very low62 Ų62135.7 Ų135.764%0.63975%0.747SS**  cis125.9128.228.800000109.8
384S28.2Very low31.3Very low123 Ų123135.9 Ų135.986%0.8674%0.739SS**  trans65.6162.7-171.285.40000114.2
385S26.6Very low31.1Very low95 Ų95136 Ų13666%0.66474%0.739SS**  cis-156163.1-0.2-147.10000110.7
386L31.6Very low30.7Very low161 Ų161134.6 Ų134.684%0.84374%0.737SS**  trans57.2113154.5-68.8165000120.1
387E29.8Very low31Very low158 Ų158135.4 Ų135.474%0.73874%0.737SS**  trans-51.5162.1139.3-128.7-122119.400110R389E387-R389 PolarHBondContact OE1-N 2.97Å
388P42.3Very low30.8Very low99 Ų99132.4 Ų132.464%0.64372%0.723SS**  cis-156.1-17740.238.4-13.4000120.4
389R26.7Very low30.7Very low175 Ų175134.6 Ų134.666%0.6673%0.727SS**  90.4146127.8-122.6-170.1165.4-165.8-1.4123.1E387E387-R389 PolarHBondContact OE1-N 2.97Å
390Q29.8Very low30.5Very low140 Ų140131.5 Ų131.565%0.65472%0.72SS**  trans87.6137.2151.5-45.1-135.6-108.500119
391H25.8Very low30.3Very low118 Ų118125.6 Ų125.655%0.54672%0.715SS.*  cis-172.6170.8-31-121.4-80.4000108.8
392F27.1Very low30.4Very low173 Ų173127 Ų12776%0.75972%0.721SS**  trans77.1145.6168.9-57.7-71.8000116.5
393N30.6Very low30.3Very low127 Ų127125.1 Ų125.168%0.67972%0.72SS**  cis164162.4-25.9-101.227.4000105.4
394T29.3Very low30.5Very low102 Ų102128.7 Ų128.763%0.62673%0.73SS**  cis-176.2171.4-16.2-85.50000106.9
395L34.6Very low30.5Very low155 Ų155126.7 Ų126.781%0.81272%0.715SS**  trans79.4107-177.3-62.2122.5000113
396D29.5Very low30.7Very low133 Ų133130.6 Ų130.671%0.71172%0.723SS**  cis67.9111.117.8178.237.8000116.3G398D396-G398 PolarHBondContact OD1-N 3.42Å
397V34.9Very low30.4Very low145 Ų145128.2 Ų128.288%0.87972%0.72SS**  trans-141.9106.5136.4179.40000108.3
398G27.1Very low30.9Very low46 Ų46126.2 Ų126.247%0.47472%0.72SS.*  trans-95.8-142.3171.500000115.1D396D396-G398 PolarHBondContact OD1-N 3.42Å
399T34.6Very low30.3Very low143 Ų143127.3 Ų127.388%0.87773%0.73SS**  trans85.5133-175.971.60000116
400S30.9Very low30.3Very low112 Ų112124.3 Ų124.378%0.78374%0.743SS**  cis-153.1146.5-12.7-87.20000107.2
401G29.3Very low30.3Very low72 Ų72122.8 Ų122.874%0.74275%0.748SS**  104.3147.762.700000109
402L31.8Very low30.4Very low150 Ų150122.1 Ų122.179%0.78576%0.756SS**  cis-164166.98.9-113.6169.1000110.4
403N28.4Very low30.6Very low139 Ų139124.9 Ų124.974%0.74376%0.762SS**  trans73.4145168.9-43.4-42.1000116.2
404T30.7Very low30.7Very low137 Ų137124.3 Ų124.384%0.8477%0.768SS**  cis-139.6-177.34.6-24.50000111.1
405S29.6Very low31.2Very low80 Ų80123.6 Ų123.656%0.55977%0.767SS**  trans-115.2174.3-150.443.20000117.3
406H29.6Very low31.1Very low177 Ų177124.6 Ų124.682%0.81977%0.767SS**  trans98.4108.9158.7-50.7-67.4000119.8
407S26.8Very low31.7Very low112 Ų112127.3 Ų127.378%0.78377%0.773SS**  trans-95.6178.6138.5-34.80000108.6
408P40.5Very low32Very low115 Ų115124.7 Ų124.775%0.74776%0.761SS**  cis-134.2177.1-441.7-24.8000115.6
409S29Very low32.6Very low122 Ų122127.4 Ų127.485%0.85377%0.772SS**  trans24.6120.6147.7-530000122.4
410A26.9Very low32.8Very low112 Ų112128 Ų12893%0.92677%0.765SS**  trans-151.8156.6148.400000111.7
411S28.5Very low33.4Very low109 Ų109128.3 Ų128.376%0.76276%0.762SS**  trans-114147.8-17456.60000113.2
412S28.3Very low33.7Very low103 Ų103128.7 Ų128.772%0.7276%0.758SS**  169.7121.2126.9-81.50000117.1
413R31.2Very low33.7Very low231 Ų231129.8 Ų129.887%0.87276%0.762SS**  43.5139.3126-52.2177.378.1175.44.4122.4
414S33.9Very low34.1Very low115 Ų115128.3 Ų128.380%0.80476%0.762SS**  trans84.6153.6147.380.20000119.2
415S38.8Very low34.3Very low88 Ų88130.8 Ų130.862%0.61576%0.764SS**  cis-177151.1-33.858.20000110.9
416H33.3Very low35.1Very low176 Ų176132.7 Ų132.782%0.81578%0.775SS**  trans163121.4145.4-76.7-33.4000107.5
417K41.5Very low35.2Very low190 Ų190131 Ų13183%0.82678%0.777SS**  86128.851.3-174.5-179176-174.80111.4
418S40.6Very low35.4Very low89 Ų89131.2 Ų131.262%0.62278%0.779SS**  cis-159.8163.18.826.70000109.4
419S40Very low35.1Very low103 Ų103132.1 Ų132.172%0.7278%0.782SS**  cis-159.6-127.5-9.7-84.70000107.3
420H38.3Very low36.3Very low156 Ų156131.5 Ų131.572%0.72278%0.775SS**  cis-163.4119.40.6-124.4-58.6000112.3
421T43.9Very low36.4Very low119 Ų119133.6 Ų133.673%0.7378%0.776SS**  trans35.4149.3133.959.70000123.7
422A36.5Very low36.6Very low80 Ų80137.4 Ų137.466%0.66178%0.779SS**  cis-171.7167.5-12.300000108.3
423M32.5Very low36.6Very low173 Ų173139.9 Ų139.985%0.85278%0.784SS**  -161.9-147.875.6-82-62-53.900112
424S35.2Very low36.6Very low108 Ų108136.7 Ų136.776%0.75578%0.781SS**  trans-147.7167.4-151.5-45.50000115.6
425E36.2Very low36.2Very low189 Ų189135.5 Ų135.588%0.88378%0.778SS**  trans-76.1174170.5-53.7167.911300114
426P45.6Very low35.6Very low120 Ų120140.2 Ų140.278%0.77979%0.79SS**  trans-139.3154.5148.138.7-25.2000115.8
427T31.1Very low35.3Very low140 Ų140135.8 Ų135.886%0.85978%0.784SS**  trans-157.2131.3163-730000110.5
428S31.8Very low34.6Very low118 Ų118132.6 Ų132.683%0.82579%0.785SS**  trans179.4159.6155.2300000113.2
429T33.4Very low34.1Very low134 Ų134134.6 Ų134.682%0.82279%0.794SS**  trans-118.7-163.2177.961.40000109.2
430P55.8Low34.2Very low109 Ų109135.3 Ų135.371%0.70880%0.796SS**  cis-133.5176.2-17.441.3-25.7000114.6
431T29.1Very low33.5Very low155 Ų155131.8 Ų131.895%0.95179%0.794SS**  trans-169.1179.4141.77.90000113
432K32.6Very low32.9Very low189 Ų189133.9 Ų133.982%0.82280%0.8SS**  trans-144.4137-164164-169.4176.6-176.10111
433L28.2Very low33.3Very low155 Ų155135.1 Ų135.181%0.81280%0.801SS**  trans-178174.6141.4-101.5171.9000114.3
434M29.3Very low33.2Very low165 Ų165137.8 Ų137.881%0.81380%0.802SS**  trans-68.1144.9-157.1-66.4157.376.100120.4
435A26.8Very low32.9Very low89 Ų89137.3 Ų137.374%0.73680%0.798SS**  65.9153.9123.600000125.2
436E26Very low32.6Very low187 Ų187132.7 Ų132.787%0.87479%0.793SS**  trans73115.4158.5-68.7-160.4102.100123.6
437A26.6Very low31.7Very low83 Ų83133.9 Ų133.969%0.68680%0.798SS**  75.6129.2120.800000124.2
438S27.4Very low31.5Very low123 Ų123134.4 Ų134.486%0.8680%0.795SS**  trans86.7144.5139.4-63.60000122.9
439T28.8Very low32.2Very low131 Ų131134.2 Ų134.280%0.80479%0.791SS**  trans-77.9164.1175.5-8.10000112.5
440P42.2Very low31.9Very low119 Ų119135.7 Ų135.777%0.77379%0.788SS**  -156.515878.940.6-19.8000120.3
441A25.1Very low30.5Very low82 Ų82137.9 Ų137.968%0.67879%0.789SS**  trans46.7119138.100000124.9
442L29.9Very low30.7Very low162 Ų162137 Ų13785%0.84878%0.777SS**  45.6154.1108.8-75.7168.7000121.3
443P46.2Very low31.1Very low106 Ų106133 Ų13369%0.68877%0.771SS**  cis-156.7168.643.943.4-21.6000122.5
444R29.5Very low31.1Very low230 Ų230132.3 Ų132.387%0.86877%0.773SS**  trans71.6154.1146.6-85.6176.2171.6145.9-0.4120.3
445S28.7Very low31.6Very low97 Ų97130.4 Ų130.468%0.67877%0.773SS**  cis-15815011.9-125.90000116
446A30.4Very low31.6Very low93 Ų93129.5 Ų129.577%0.76977%0.772SS**  trans61.7151.1154.300000120.6
447T26Very low31.7Very low144 Ų144128.6 Ų128.688%0.88377%0.772SS**  cis-145168.913-35.80000112.4
448L27.9Very low31.9Very low152 Ų152128.6 Ų128.680%0.79677%0.768SS**  trans-112.8162-170.4-100.8165.9000114.6
449P46Very low32Very low113 Ų113131.8 Ų131.873%0.73477%0.769SS**  -137.2138.589.2176.3000115
450Q26.8Very low32Very low165 Ų165130.3 Ų130.377%0.77177%0.77SS**  89.597.181.5-158.1173.96.100112.9
451E26.9Very low31.4Very low155 Ų155129.1 Ų129.172%0.72477%0.77SS**  75.813482.1-78.8-85.783.100113.3
452L33.9Very low31.5Very low136 Ų136131.9 Ų131.971%0.71278%0.779SS**  cis-148.3-148.818.2-82.8130.9000111.9
453P39.5Very low31.6Very low106 Ų106132.1 Ų132.169%0.68878%0.778SS**  -136165.2-92.743.4-25.8000117.3
454V29.6Very low31.4Very low140 Ų140132.7 Ų132.785%0.84878%0.781SS**  trans-146.2131.9150.4-173.30000109.8
455P38.5Very low31.3Very low125 Ų125125.9 Ų125.981%0.81277%0.774SS**  trans-89.2162.9177.236.1-35.1000113.2
456G26.8Very low32.5Very low70 Ų70126.5 Ų126.572%0.72278%0.776SS**  trans-133.9-174.9168.700000111.5
457L29.6Very low32.4Very low168 Ų168129.5 Ų129.588%0.8878%0.778SS**  trans-163.6123.9164.3-108169000113.6
458S29.3Very low32.9Very low84 Ų84128.4 Ų128.459%0.58777%0.773SS**  trans30.5125.5143.8-60.60000124.7
459Q31Very low32.9Very low190 Ų190126.1 Ų126.189%0.88877%0.77SS**  trans66.7153.1131.4-57.7174.825.400118.5
460A28.2Very low33.1Very low99 Ų99126.4 Ų126.482%0.81877%0.772SS**  cis-138.7-179.42.900000111.6
461A29.8Very low33.1Very low94 Ų94124.7 Ų124.778%0.77778%0.778SS**  trans-85.5165.5-174.900000114.9
462T26.7Very low33.1Very low141 Ų141122.4 Ų122.487%0.86578%0.779SS**  -171.5149.4126.6-67.50000110.1
463M32.4Very low32.8Very low167 Ų167121.9 Ų121.982%0.82379%0.786SS**  trans-95.1-178.1175.5-68-77.5-74.900110.4
464P42.7Very low32.1Very low118 Ų118124 Ų12477%0.76679%0.791SS**  cis-131.9-161-0.140.9-20.3000113.9
465A27.6Very low32.2Very low86 Ų86124.4 Ų124.471%0.71179%0.788SS**  trans-86.2-169.1168.500000111.3
466P52Low31.8Very low110 Ų110123 Ų12371%0.71478%0.777SS**  cis-140.4-1463.440.2-16.7000114.7
467L28.4Very low32Very low156 Ų156126.8 Ų126.882%0.81778%0.776SS**  trans93.6173.2170.6-47.5177.5000115.6
468P38.4Very low32Very low121 Ų121126 Ų12679%0.78677%0.768SS**  -133.1-172-97.838.3-17000115.2
469S26Very low32Very low105 Ų105129.6 Ų129.673%0.73478%0.779SS**  trans-89.7174.7168.358.10000112.1
470P50.5Low31.9Very low118 Ų118128 Ų12877%0.76678%0.777SS**  cis-130.2168.4-32.835-20.3000113.1
471S27.4Very low33.1Very low130 Ų130127.9 Ų127.991%0.90977%0.767SS**  trans-165.6160.1151.644.80000112.8
472S27.8Very low33.2Very low106 Ų106131.6 Ų131.674%0.74177%0.769SS**  trans-105.8151.4-172.154.10000114.1
473C26.8Very low33.4Very low126 Ų126131.3 Ų131.385%0.85177%0.767SS**  171.7149.4123.5-93.60000112.7
474D25Very low33.3Very low150 Ų150129.2 Ų129.280%0.80276%0.763SS**  trans-78161.6170.3-61.1-84.9000112.8
475L31.5Very low32.7Very low148 Ų148130.9 Ų130.978%0.77577%0.765SS**  165.1134.795.9-15373.4000115.5
476T29.2Very low32.8Very low95 Ų95135 Ų13558%0.58377%0.769SS**  trans67.6126.1148.742.80000125.3
477Q31.9Very low31.7Very low151 Ų151135.9 Ų135.971%0.70678%0.778SS**  trans73.5147.9131.8-68.7-175.8106.500120.6
478Q30.3Very low31.9Very low152 Ų152135.2 Ų135.271%0.7178%0.781SS**  cis-160.5177.3-5.8-131.5177.214.700113.2
479L28.3Very low32.1Very low158 Ų158135.3 Ų135.383%0.82778%0.781SS**  trans103.7158.4160.8-72.1140.2000120
480L28.3Very low32.5Very low158 Ų158134.9 Ų134.983%0.82778%0.784SS**  trans-154.2-172.3-151.3-126.992.8000108.7
481P53.1Low32.2Very low96 Ų96135.1 Ų135.162%0.62379%0.785SS**  cis-144.3173.7746.3-28000119.3
482Q32.6Very low33.1Very low172 Ų172138.4 Ų138.480%0.80479%0.789SS**  trans67.8157.8156.3-46.7-142.111.100119.1
483T30.5Very low34.2Very low135 Ų135136.7 Ų136.783%0.82878%0.781SS**  cis-123.5-15512.252.40000114.2
484V30.6Very low35.2Very low123 Ų123138.7 Ų138.775%0.74578%0.778SS**  trans-128139.3-147.7172.40000114.7
485L30Very low36Very low152 Ų152140.3 Ų140.380%0.79678%0.778SS**  trans-170.7104.7139.9-106.5165.6000115.6
486Q30.7Very low37.1Very low174 Ų174137.1 Ų137.181%0.81377%0.768SS**  trans43.5103.5136-165171.722.300122.7
487S28.3Very low38.4Very low127 Ų127135 Ų13589%0.88876%0.76SS**  trans-170.3169.6141.540.10000112.5
488T32.9Very low39.5Very low143 Ų143134 Ų13488%0.87776%0.756SS**  trans-95.3164.1-166.119.80000115.8
489P43Very low41.1Very low123 Ų123133.8 Ų133.880%0.79975%0.753SS**  trans-106.6140.4-163.138.5-33.5000117.2
490A35Very low43Very low96 Ų96129.7 Ų129.779%0.79374%0.737SS**  trans-176.6136.2146.700000107.6
491P42.7Very low45Very low122 Ų122127.6 Ų127.679%0.79272%0.724SS**  -149113.676.134.8-13.8000115.4
492M47.3Very low46.2Very low200 Ų200129.7 Ų129.799%0.98572%0.724SS**  trans-131.262.3165.9-75.1-169.6175.600111
493A50.7Low48.4Very low70 Ų70124.7 Ų124.758%0.57970%0.701SS**SBendtrans-132.6-26.2179.200000114.3S496A493-S496 PolarHBondContact O-OG 2.86Å; A493-S496 VanDerWaalsContact O-OG 3.13Å
494Q47.6Very low50.9Low167 Ų167122 Ų12278%0.7868%0.684SS**Hα-helixtrans-80.5-30.2-167.9-159.9164.60.700113.8
495F42.2Very low53.6Low185 Ų185121.5 Ų121.581%0.81168%0.676SS**Hα-helixtrans-77.1-31.4178.6-100.9-87000114F499F495-F499 PolarHBondContact O-N 3.47Å
496S54.9Low56.4Low80 Ų80118.8 Ų118.856%0.55966%0.658SS**Hα-helixtrans-70-33179.656.70000112.5A493 Q498 F499 S500A493-S496 PolarHBondContact O-OG 2.86Å; A493-S496 VanDerWaalsContact O-OG 3.13Å; S496-Q498 PolarHBondContact O-N 2.91Å; S496-F499 PolarHBondContact O-N 2.98Å; S496-S500 VanDerWaalsContact O-CB 3.29Å; S496-S500 WeakPolarHBondContact O-CB 3.42Å; S496-S500 PolarHBondContact O-N 2.87Å
497A55.2Low59.2Low51 Ų51114 Ų11442%0.42164%0.638SS.*Hα-helixtrans-62.6-41.9178.600000112.9M501A497-M501 PolarHBondContact O-N 2.97Å; A497-M501 VanDerWaalsContact O-N 3.09Å
498Q54.9Low61.9Low131 Ų131113.7 Ų113.761%0.61262%0.623SS**Hα-helixtrans-68.9-42.7178-71.4-173-18.300112.1S496 S500 M501 F502S496-Q498 PolarHBondContact O-N 2.91Å; Q498-S500 VanDerWaalsContact C-N 3.35Å; Q498-S500 PolarHBondContact O-N 3.15Å; Q498-M501 PolarHBondContact O-N 2.94Å; Q498-F502 PolarHBondContact O-N 3.22Å
499F64.8Low64.4Low147 Ų147112.4 Ų112.465%0.64561%0.609SS**Hα-helixtrans-64.1-40.3176.7-166-94.8000112F495 S496 F502 Q503F495-F499 PolarHBondContact O-N 3.47Å; S496-F499 PolarHBondContact O-N 2.98Å; F499-F502 PolarHBondContact O-N 2.9Å; F499-Q503 PolarHBondContact O-N 3.4Å
500S67.8Low66.7Low71 Ų71110.5 Ų110.550%0.49759%0.59SS.*Hα-helixtrans-60.7-43.5174.7-174.80000112.6S496 Q498 Q503 T504S496-S500 VanDerWaalsContact O-CB 3.29Å; S496-S500 WeakPolarHBondContact O-CB 3.42Å; S496-S500 PolarHBondContact O-N 2.87Å; Q498-S500 VanDerWaalsContact C-N 3.35Å; Q498-S500 PolarHBondContact O-N 3.15Å; S500-Q503 PolarHBondContact O-N 3.35Å; S500-T504 WeakPolarHBondContact O-CB 3.39Å; S500-T504 PolarHBondContact O-N 3.35Å; S500-T504 PolarHBondContact O-OG1 3.1Å
501M70.4Confident69.4Low114 Ų114110.4 Ų110.456%0.56257%0.573SS**Hα-helixtrans-64.7-41.8174.8-74.3-170.5-68.100112.4A497 Q498 T504 I505A497-M501 PolarHBondContact O-N 2.97Å; A497-M501 VanDerWaalsContact O-N 3.09Å; Q498-M501 PolarHBondContact O-N 2.94Å; M501-T504 PolarHBondContact O-N 2.9Å; M501-I505 VanDerWaalsContact O-CG1 3.31Å; M501-I505 WeakPolarHBondContact O-CG1 3.49Å; M501-I505 PolarHBondContact O-N 3.38Å
502F78.2Confident71.5Confident140 Ų140112.9 Ų112.961%0.61457%0.567SS**Hα-helixtrans-63-43.9177.2-174-98.6000112.1Q498 F499 T504 I505 K506Q498-F502 PolarHBondContact O-N 3.22Å; F499-F502 PolarHBondContact O-N 2.9Å; F502-T504 PolarHBondContact O-N 3.18Å; F502-I505 PolarHBondContact O-N 3.29Å; F502-K506 WeakPolarHBondContact O-CB 3.36Å; F502-K506 PolarHBondContact O-N 3.01Å
503Q78Confident73.6Confident68 Ų68106.5 Ų106.532%0.31854%0.539SS..Hα-helixtrans-62.2-42.8174.5-172.562.349.500111.5F499 S500 I505 K506 D507F499-Q503 PolarHBondContact O-N 3.4Å; S500-Q503 PolarHBondContact O-N 3.35Å; Q503-I505 VanDerWaalsContact C-N 3.34Å; Q503-I505 PolarHBondContact O-N 2.97Å; Q503-K506 WeakPolarHBondContact O-CB 3.37Å; Q503-K506 PolarHBondContact O-N 2.89Å; Q503-D507 PolarHBondContact NE2-OD1 3.3Å; Q503-D507 WeakPolarHBondContact O-CB 3.34Å; Q503-D507 PolarHBondContact O-N 2.88Å
504T83.6Confident75.6Confident79 Ų79109 Ų10949%0.48553%0.534SS..Hα-helixtrans-60.7-41.1176.9-56.20000112.1S500 M501 F502 Q508S500-T504 WeakPolarHBondContact O-CB 3.39Å; S500-T504 PolarHBondContact O-N 3.35Å; S500-T504 PolarHBondContact O-OG1 3.1Å; M501-T504 PolarHBondContact O-N 2.9Å; F502-T504 PolarHBondContact O-N 3.18Å; T504-Q508 VanDerWaalsContact O-CB 3.29Å; T504-Q508 WeakPolarHBondContact O-CB 3.16Å; T504-Q508 PolarHBondContact O-N 3.01Å
505I88.1Confident77.8Confident112 Ų112105.5 Ų105.557%0.57452%0.519SS*.Hα-helixtrans-66.8-43.2176.3-69.3164.3000110.6M501 F502 Q503 Q508 L509M501-I505 VanDerWaalsContact O-CG1 3.31Å; M501-I505 WeakPolarHBondContact O-CG1 3.49Å; M501-I505 PolarHBondContact O-N 3.38Å; F502-I505 PolarHBondContact O-N 3.29Å; Q503-I505 VanDerWaalsContact C-N 3.34Å; Q503-I505 PolarHBondContact O-N 2.97Å; I505-Q508 PolarHBondContact O-N 2.92Å; I505-L509 WeakPolarHBondContact O-CB 3.36Å; I505-L509 PolarHBondContact O-N 3.45Å
506K87.2Confident80Confident94 Ų94101.8 Ų101.841%0.40951%0.507SS..Hα-helixtrans-59.2-51175.3178.8-175165.2-176.10111.5F502 Q503 Q508 L509 E510F502-K506 WeakPolarHBondContact O-CB 3.36Å; F502-K506 PolarHBondContact O-N 3.01Å; Q503-K506 WeakPolarHBondContact O-CB 3.37Å; Q503-K506 PolarHBondContact O-N 2.89Å; K506-Q508 VanDerWaalsContact C-N 3.28Å; K506-Q508 PolarHBondContact O-N 2.95Å; K506-L509 WeakPolarHBondContact O-CB 3.5Å; K506-L509 PolarHBondContact O-N 3.39Å; K506-L509 VanDerWaalsContact O-N 3.11Å; K506-E510 WeakPolarHBondContact CE-OE1 3.41Å; K506-E510 IonicContact NZ-OE1 2.75Å; K506-E510 PolarHBondContact O-N 3.22Å
507D89.6Confident81.8Confident75 Ų75103.1 Ų103.140%0.40150%0.504SS..Hα-helixtrans-62.5-38-178.9-65.6-17.4000111.3Q503 Q511Q503-D507 PolarHBondContact NE2-OD1 3.3Å; Q503-D507 WeakPolarHBondContact O-CB 3.34Å; Q503-D507 PolarHBondContact O-N 2.88Å; D507-Q511 VanDerWaalsContact O-CB 3.28Å; D507-Q511 WeakPolarHBondContact O-CB 3.33Å; D507-Q511 PolarHBondContact O-N 2.94Å
508Q85.1Confident83.5Confident120 Ų120103 Ų10356%0.56150%0.504SS*.Hα-helixtrans-66.5-38.7174.5-169.9178105.700112.1T504 I505 K506 Q511 R512T504-Q508 VanDerWaalsContact O-CB 3.29Å; T504-Q508 WeakPolarHBondContact O-CB 3.16Å; T504-Q508 PolarHBondContact O-N 3.01Å; I505-Q508 PolarHBondContact O-N 2.92Å; K506-Q508 VanDerWaalsContact C-N 3.28Å; K506-Q508 PolarHBondContact O-N 2.95Å; Q508-Q511 PolarHBondContact O-N 2.92Å; Q508-R512 VanDerWaalsContact O-CG 3.26Å; Q508-R512 WeakPolarHBondContact O-CG 3.39Å; Q508-R512 PolarHBondContact O-N 3.46Å
509L85.5Confident85.1Confident115 Ų115100.6 Ų100.660%0.60250%0.495SS*.Hα-helixtrans-67.9-44.7175.8-170.768.2000111.5I505 K506 Q511 R512 T513I505-L509 WeakPolarHBondContact O-CB 3.36Å; I505-L509 PolarHBondContact O-N 3.45Å; K506-L509 WeakPolarHBondContact O-CB 3.5Å; K506-L509 PolarHBondContact O-N 3.39Å; K506-L509 VanDerWaalsContact O-N 3.11Å; L509-Q511 VanDerWaalsContact C-N 3.31Å; L509-Q511 PolarHBondContact O-N 3.42Å; L509-R512 PolarHBondContact O-N 2.88Å; L509-T513 PolarHBondContact O-N 2.78Å; L509-T513 PolarHBondContact O-OG1 3.22Å
510E92.3Very high86.4Confident84 Ų8497.1 Ų97.139%0.39348%0.482SS..Hα-helixtrans-61.8-38.5174.2-72.2-173.1-165.200112.1K506 T513 R514K506-E510 WeakPolarHBondContact CE-OE1 3.41Å; K506-E510 IonicContact NZ-OE1 2.75Å; K506-E510 PolarHBondContact O-N 3.22Å; E510-T513 PolarHBondContact O-N 2.91Å; E510-R514 WeakPolarHBondContact O-CB 3.18Å; E510-R514 WeakPolarHBondContact O-CG 3.33Å; E510-R514 PolarHBondContact O-N 2.93Å; E510-R514 PolarHBondContact O-NE 2.9Å
511Q92.1Very high87.7Confident93 Ų93101.3 Ų101.344%0.43549%0.488SS..Hα-helixtrans-64.5-43.6174-175.667.51700111.6D507 Q508 L509 R514 I515D507-Q511 VanDerWaalsContact O-CB 3.28Å; D507-Q511 WeakPolarHBondContact O-CB 3.33Å; D507-Q511 PolarHBondContact O-N 2.94Å; Q508-Q511 PolarHBondContact O-N 2.92Å; L509-Q511 VanDerWaalsContact C-N 3.31Å; L509-Q511 PolarHBondContact O-N 3.42Å; Q511-R514 PolarHBondContact O-N 2.86Å; Q511-I515 HydrophobicContact CG-CD1 4.12Å; Q511-I515 VanDerWaalsContact O-CG1 3.3Å; Q511-I515 WeakPolarHBondContact O-CG1 3.46Å; Q511-I515 PolarHBondContact O-N 3.03Å
512R87.1Confident88.8Confident174 Ų174103 Ų10366%0.65749%0.488SS*.Hα-helixtrans-59.9-47174.4-73.9-77.4-175.3108.50.7111.3Q508 L509 I515 L516Q508-R512 VanDerWaalsContact O-CG 3.26Å; Q508-R512 WeakPolarHBondContact O-CG 3.39Å; Q508-R512 PolarHBondContact O-N 3.46Å; L509-R512 PolarHBondContact O-N 2.88Å; R512-I515 PolarHBondContact O-N 2.94Å; R512-L516 PolarHBondContact O-N 2.86Å
513T90.1Very high89.3Confident66 Ų66101.3 Ų101.341%0.40548%0.482SS..Hα-helixtrans-62.2-43177.4-62.10000112L509 E510 I515 L516 Q517L509-T513 PolarHBondContact O-N 2.78Å; L509-T513 PolarHBondContact O-OG1 3.22Å; E510-T513 PolarHBondContact O-N 2.91Å; T513-I515 PolarHBondContact O-N 2.84Å; T513-L516 PolarHBondContact O-N 3.22Å; T513-Q517 HydrophobicContact CG2-CG 4.44Å; T513-Q517 WeakPolarHBondContact O-CB 3.37Å; T513-Q517 WeakPolarHBondContact O-CG 3.2Å; T513-Q517 PolarHBondContact O-N 2.83Å
514R93.7Very high89.8Confident123 Ų123103.7 Ų103.746%0.46449%0.493SS..Hα-helixtrans-64.7-36.5176.7-78.4-177.1-86.8107.4-1112.8E510 Q511 A518E510-R514 WeakPolarHBondContact O-CB 3.18Å; E510-R514 WeakPolarHBondContact O-CG 3.33Å; E510-R514 PolarHBondContact O-N 2.93Å; E510-R514 PolarHBondContact O-NE 2.9Å; Q511-R514 PolarHBondContact O-N 2.86Å; R514-A518 PolarHBondContact O-N 2.98Å; R514-A518 VanDerWaalsContact O-N 3.14Å
515I93.8Very high90.3Very high94 Ų94105.1 Ų105.148%0.48249%0.494SS..Hα-helixtrans-66.5-45.6172.8-68.9165.1000110.8Q511 R512 T513 Q517 A518 N519Q511-I515 HydrophobicContact CG-CD1 4.12Å; Q511-I515 VanDerWaalsContact O-CG1 3.3Å; Q511-I515 WeakPolarHBondContact O-CG1 3.46Å; Q511-I515 PolarHBondContact O-N 3.03Å; R512-I515 PolarHBondContact O-N 2.94Å; T513-I515 PolarHBondContact O-N 2.84Å; I515-Q517 PolarHBondContact O-N 3.13Å; I515-A518 WeakPolarHBondContact O-CB 3.45Å; I515-A518 PolarHBondContact O-N 3.46Å; I515-A518 VanDerWaalsContact O-N 3.14Å; I515-N519 PolarHBondContact O-N 3.39Å
516L88.5Confident90.4Very high106 Ų106102.7 Ų102.756%0.55548%0.48SS*.Hα-helixtrans-63-43.4179.4-174.161.9000111.8R512 T513 A518 N519 I520R512-L516 PolarHBondContact O-N 2.86Å; T513-L516 PolarHBondContact O-N 3.22Å; L516-A518 VanDerWaalsContact C-N 3.27Å; L516-A518 PolarHBondContact O-N 3.36Å; L516-N519 PolarHBondContact O-N 3.36Å; L516-I520 HydrophobicContact CD1-CD1 4.29Å; L516-I520 HydrophobicContact CD1-CG1 4.47Å; L516-I520 HydrophobicContact CG-CD1 3.95Å; L516-I520 WeakPolarHBondContact O-CG1 3.38Å; L516-I520 PolarHBondContact O-N 3.03Å
517Q90.9Very high90.5Very high108 Ų108103.6 Ų103.651%0.50549%0.489SS..Hα-helixtrans-67-21.8174.4-74.4-178.6-16.200114.1T513 I515 R521T513-Q517 HydrophobicContact CG2-CG 4.44Å; T513-Q517 WeakPolarHBondContact O-CB 3.37Å; T513-Q517 WeakPolarHBondContact O-CG 3.2Å; T513-Q517 PolarHBondContact O-N 2.83Å; I515-Q517 PolarHBondContact O-N 3.13Å; Q517-R521 WeakPolarHBondContact O-CG 3.34Å; Q517-R521 PolarHBondContact O-NE 3.1Å
518A91.4Very high90.6Very high50 Ų50105 Ų10541%0.41349%0.493SS..Hα-helixtrans-77.6-43.3169.900000110.8R514 I515 L516 R521 W522R514-A518 PolarHBondContact O-N 2.98Å; R514-A518 VanDerWaalsContact O-N 3.14Å; I515-A518 WeakPolarHBondContact O-CB 3.45Å; I515-A518 PolarHBondContact O-N 3.46Å; I515-A518 VanDerWaalsContact O-N 3.14Å; L516-A518 VanDerWaalsContact C-N 3.27Å; L516-A518 PolarHBondContact O-N 3.36Å; A518-R521 PolarHBondContact O-N 2.75Å; A518-W522 PolarHBondContact O-N 2.85Å
519N88.8Confident90.9Very high80 Ų80102.7 Ų102.743%0.42848%0.481SS..Hα-helixtrans-65.7-45-179.3-153.2-27.6000112I515 L516 R521 W522 Q523I515-N519 PolarHBondContact O-N 3.39Å; L516-N519 PolarHBondContact O-N 3.36Å; N519-R521 VanDerWaalsContact C-N 3.33Å; N519-R521 PolarHBondContact O-N 2.86Å; N519-W522 PolarHBondContact O-N 2.69Å; N519-Q523 WeakPolarHBondContact O-CG 3.24Å; N519-Q523 PolarHBondContact O-N 2.85Å
520I93.1Very high91.2Very high73 Ų73101.4 Ų101.437%0.37447%0.474SS..Hα-helixtrans-57.7-43.8174.8-68.7166.4000111.5L516 Q523 Q524L516-I520 HydrophobicContact CD1-CD1 4.29Å; L516-I520 HydrophobicContact CD1-CG1 4.47Å; L516-I520 HydrophobicContact CG-CD1 3.95Å; L516-I520 WeakPolarHBondContact O-CG1 3.38Å; L516-I520 PolarHBondContact O-N 3.03Å; I520-Q523 PolarHBondContact O-N 2.83Å; I520-Q524 VanDerWaalsContact O-CG 3.3Å; I520-Q524 WeakPolarHBondContact O-CG 3.34Å; I520-Q524 PolarHBondContact O-N 3.3Å
521R93.3Very high91Very high160 Ų160104.1 Ų104.160%0.60449%0.486SS*.Hα-helixtrans-66.6-39177.6-79.9-176.9-70.4163.9-2.9112.4Q517 A518 N519 Q524 E525Q517-R521 WeakPolarHBondContact O-CG 3.34Å; Q517-R521 PolarHBondContact O-NE 3.1Å; A518-R521 PolarHBondContact O-N 2.75Å; N519-R521 VanDerWaalsContact C-N 3.33Å; N519-R521 PolarHBondContact O-N 2.86Å; R521-Q524 PolarHBondContact O-N 3.07Å; R521-E525 PolarHBondContact O-N 2.88Å
522W95.5Very high90.8Very high149 Ų149104.5 Ų104.556%0.56449%0.488SS*.Hα-helixtrans-64.7-42.1175.1-176.279.3000111.9A518 N519 Q524 E525 E526A518-W522 PolarHBondContact O-N 2.85Å; N519-W522 PolarHBondContact O-N 2.69Å; W522-Q524 VanDerWaalsContact C-N 3.34Å; W522-Q524 PolarHBondContact O-N 2.83Å; W522-E525 PolarHBondContact O-N 3.08Å; W522-E526 HydrophobicContact CD2-CG 4.18Å; W522-E526 HydrophobicContact CE3-CG 4.4Å; W522-E526 HydrophobicContact CH2-CG 3.81Å; W522-E526 HydrophobicContact CZ2-CG 3.55Å; W522-E526 HydrophobicContact CZ3-CG 4.23Å; W522-E526 PolarHBondContact O-N 3.03Å
523Q88.2Confident90.6Very high105 Ų105102.6 Ų102.649%0.49149%0.487SS..Hα-helixtrans-62-39173.5-71.7177.3-34.600112.5N519 I520 L527N519-Q523 WeakPolarHBondContact O-CG 3.24Å; N519-Q523 PolarHBondContact O-N 2.85Å; I520-Q523 PolarHBondContact O-N 2.83Å; Q523-L527 WeakPolarHBondContact O-CB 2.85Å; Q523-L527 VanDerWaalsContact O-CG 3.29Å; Q523-L527 WeakPolarHBondContact O-CG 3.49Å; Q523-L527 PolarHBondContact O-N 2.74Å
524Q88.4Confident90.1Very high117 Ų117104.8 Ų104.855%0.54750%0.495SS..Hα-helixtrans-64.7-37.8173.2-73.6170.2-20.900112.3I520 R521 W522 H528I520-Q524 VanDerWaalsContact O-CG 3.3Å; I520-Q524 WeakPolarHBondContact O-CG 3.34Å; I520-Q524 PolarHBondContact O-N 3.3Å; R521-Q524 PolarHBondContact O-N 3.07Å; W522-Q524 VanDerWaalsContact C-N 3.34Å; W522-Q524 PolarHBondContact O-N 2.83Å; Q524-H528 PolarHBondContact O-N 2.86Å
525E94.1Very high89.4Confident109 Ų109102.1 Ų102.151%0.50950%0.495SS..Hα-helixtrans-71.3-38.6178.5-157.3-168.1130.500112.5R521 W522 H528 K529R521-E525 PolarHBondContact O-N 2.88Å; W522-E525 PolarHBondContact O-N 3.08Å; E525-H528 WeakPolarHBondContact O-CB 3.49Å; E525-H528 PolarHBondContact O-N 3.37Å; E525-K529 WeakPolarHBondContact O-CG 3.44Å; E525-K529 PolarHBondContact O-N 3.37Å; E525-K529 VanDerWaalsContact O-N 3.14Å; E525-K529 WeakPolarHBondContact OE1-CE 3.48Å; E525-K529 IonicContact OE1-NZ 3.93Å; E525-K529 PolarHBondContact OE1-NZ 3.41Å
526E90.6Very high88.7Confident62 Ų62103 Ų10329%0.2950%0.5SS..Hα-helixtrans-69.5-38.5172.3-69.5-54.412500112.3W522 H528 K529 I530W522-E526 HydrophobicContact CD2-CG 4.18Å; W522-E526 HydrophobicContact CE3-CG 4.4Å; W522-E526 HydrophobicContact CH2-CG 3.81Å; W522-E526 HydrophobicContact CZ2-CG 3.55Å; W522-E526 HydrophobicContact CZ3-CG 4.23Å; W522-E526 PolarHBondContact O-N 3.03Å; E526-H528 VanDerWaalsContact C-N 3.27Å; E526-H528 PolarHBondContact O-N 3.11Å; E526-K529 PolarHBondContact O-N 3.44Å; E526-K529 WeakPolarHBondContact OE1-CD 3.36Å; E526-K529 IonicContact OE1-NZ 2.72Å; E526-K529 PolarHBondContact OE1-NZ 3.34Å; E526-I530 VanDerWaalsContact O-CG1 3.3Å; E526-I530 WeakPolarHBondContact O-CG1 3.43Å; E526-I530 PolarHBondContact O-N 2.68Å
527L89.6Confident88.1Confident112 Ų112102 Ų10259%0.58650%0.498SS*.Hα-helixtrans-59.9-38172-78.1168.7000112Q523 I530 Q531Q523-L527 WeakPolarHBondContact O-CB 2.85Å; Q523-L527 VanDerWaalsContact O-CG 3.29Å; Q523-L527 WeakPolarHBondContact O-CG 3.49Å; Q523-L527 PolarHBondContact O-N 2.74Å; L527-I530 PolarHBondContact O-N 2.82Å; L527-Q531 WeakPolarHBondContact O-CB 3.42Å; L527-Q531 PolarHBondContact O-N 3.4Å
528H91.6Very high86.9Confident106 Ų106103.4 Ų103.449%0.49151%0.505SS..Hα-helixtrans-62-46.1173.4-168.2-77.2000112Q524 E525 E526 I530 Q531 E532Q524-H528 PolarHBondContact O-N 2.86Å; E525-H528 WeakPolarHBondContact O-CB 3.49Å; E525-H528 PolarHBondContact O-N 3.37Å; E526-H528 VanDerWaalsContact C-N 3.27Å; E526-H528 PolarHBondContact O-N 3.11Å; H528-I530 PolarHBondContact O-N 2.93Å; H528-Q531 WeakPolarHBondContact O-CB 3.29Å; H528-Q531 PolarHBondContact O-N 2.95Å; H528-E532 IonicContact CE1-OE1 2.69Å; H528-E532 PolarHBondContact CE1-OE1 2.82Å; H528-E532 IonicContact CE1-OE2 3.55Å; H528-E532 VanDerWaalsContact ND1-CD 3.31Å; H528-E532 IonicContact ND1-OE1 3.02Å; H528-E532 IonicContact ND1-OE2 3.36Å; H528-E532 PolarHBondContact ND1-OE2 2.85Å; H528-E532 VanDerWaalsContact ND1-OE2 3.07Å; H528-E532 PolarHBondContact O-N 3.32Å
529K90.9Very high85.6Confident70 Ų70105.8 Ų105.830%0.30451%0.51SS..Hα-helixtrans-63.1-40.3177.7-67.3164.4-161.5164.70112.1E525 E526 Q531 E532 Q533E525-K529 WeakPolarHBondContact O-CG 3.44Å; E525-K529 PolarHBondContact O-N 3.37Å; E525-K529 VanDerWaalsContact O-N 3.14Å; E525-K529 WeakPolarHBondContact OE1-CE 3.48Å; E525-K529 IonicContact OE1-NZ 3.93Å; E525-K529 PolarHBondContact OE1-NZ 3.41Å; E526-K529 PolarHBondContact O-N 3.44Å; E526-K529 WeakPolarHBondContact OE1-CD 3.36Å; E526-K529 IonicContact OE1-NZ 2.72Å; E526-K529 PolarHBondContact OE1-NZ 3.34Å; K529-Q531 VanDerWaalsContact C-N 3.33Å; K529-E532 PolarHBondContact O-N 3.4Å; K529-Q533 WeakPolarHBondContact O-CG 3.33Å; K529-Q533 PolarHBondContact O-N 2.84Å
530I91.9Very high84.2Confident89 Ų89105.5 Ų105.546%0.45652%0.515SS..Hα-helixtrans-63-42174.6-68.1164.3000110.1E526 L527 H528 Q533 L534E526-I530 VanDerWaalsContact O-CG1 3.3Å; E526-I530 WeakPolarHBondContact O-CG1 3.43Å; E526-I530 PolarHBondContact O-N 2.68Å; L527-I530 PolarHBondContact O-N 2.82Å; H528-I530 PolarHBondContact O-N 2.93Å; I530-Q533 PolarHBondContact O-N 3.33Å; I530-L534 HydrophobicContact CG2-CD1 3.97Å; I530-L534 HydrophobicContact CG2-CG 4.48Å; I530-L534 WeakPolarHBondContact O-CB 3.35Å; I530-L534 VanDerWaalsContact O-CG 3.3Å; I530-L534 WeakPolarHBondContact O-CG 3.35Å; I530-L534 PolarHBondContact O-N 2.95Å
531Q86.7Confident82.3Confident140 Ų140106.3 Ų106.365%0.65452%0.52SS*.Hα-helixtrans-65.9-40.5176.7-173.4172.8-8.800112.6L527 H528 K529 L534 C535L527-Q531 WeakPolarHBondContact O-CB 3.42Å; L527-Q531 PolarHBondContact O-N 3.4Å; H528-Q531 WeakPolarHBondContact O-CB 3.29Å; H528-Q531 PolarHBondContact O-N 2.95Å; K529-Q531 VanDerWaalsContact C-N 3.33Å; Q531-L534 PolarHBondContact O-N 3.13Å; Q531-C535 WeakPolarHBondContact O-CB 3.48Å; Q531-C535 PolarHBondContact O-N 2.93Å
532E89.2Confident80.5Confident102 Ų102103 Ų10348%0.47752%0.517SS..Hα-helixtrans-63.3-43.6173-74.5177128.200111.9H528 K529 C535 L536H528-E532 IonicContact CE1-OE1 2.69Å; H528-E532 PolarHBondContact CE1-OE1 2.82Å; H528-E532 IonicContact CE1-OE2 3.55Å; H528-E532 VanDerWaalsContact ND1-CD 3.31Å; H528-E532 IonicContact ND1-OE1 3.02Å; H528-E532 IonicContact ND1-OE2 3.36Å; H528-E532 PolarHBondContact ND1-OE2 2.85Å; H528-E532 VanDerWaalsContact ND1-OE2 3.07Å; H528-E532 PolarHBondContact O-N 3.32Å; K529-E532 PolarHBondContact O-N 3.4Å; E532-C535 WeakPolarHBondContact O-CB 3.49Å; E532-C535 PolarHBondContact O-N 3.5Å; E532-L536 WeakPolarHBondContact O-CG 3.41Å; E532-L536 PolarHBondContact O-N 3.21Å
533Q82.9Confident78.4Confident134 Ų134103.4 Ų103.463%0.62653%0.526SS*.Hα-helixtrans-65.9-39.5176.4-73.4-172.32.100112.5K529 I530 C535 L536 V537K529-Q533 WeakPolarHBondContact O-CG 3.33Å; K529-Q533 PolarHBondContact O-N 2.84Å; I530-Q533 PolarHBondContact O-N 3.33Å; Q533-C535 VanDerWaalsContact C-N 3.34Å; Q533-L536 PolarHBondContact O-N 2.75Å; Q533-V537 WeakPolarHBondContact O-CB 3.49Å; Q533-V537 VanDerWaalsContact O-CG2 3.31Å; Q533-V537 WeakPolarHBondContact O-CG2 3.35Å; Q533-V537 PolarHBondContact O-N 3.33Å
534L79.8Confident76.7Confident111 Ų111105.1 Ų105.158%0.58154%0.535SS*.Hα-helixtrans-62.2-41.1173.1-75.5168.9000111.7I530 Q531 V537 Q538I530-L534 HydrophobicContact CG2-CD1 3.97Å; I530-L534 HydrophobicContact CG2-CG 4.48Å; I530-L534 WeakPolarHBondContact O-CB 3.35Å; I530-L534 VanDerWaalsContact O-CG 3.3Å; I530-L534 WeakPolarHBondContact O-CG 3.35Å; I530-L534 PolarHBondContact O-N 2.95Å; Q531-L534 PolarHBondContact O-N 3.13Å; L534-V537 PolarHBondContact O-N 2.95Å; L534-Q538 WeakPolarHBondContact O-CB 3.44Å; L534-Q538 PolarHBondContact O-N 3.48Å
535C78.7Confident74.8Confident68 Ų68108.9 Ų108.946%0.45955%0.55SS..Hα-helixtrans-59.3-49.3174.6-165.40000111.6Q531 E532 Q533 V537 Q538 D539Q531-C535 WeakPolarHBondContact O-CB 3.48Å; Q531-C535 PolarHBondContact O-N 2.93Å; E532-C535 WeakPolarHBondContact O-CB 3.49Å; E532-C535 PolarHBondContact O-N 3.5Å; Q533-C535 VanDerWaalsContact C-N 3.34Å; C535-V537 VanDerWaalsContact C-N 3.33Å; C535-V537 PolarHBondContact O-N 3.29Å; C535-Q538 WeakPolarHBondContact O-CB 3.31Å; C535-Q538 PolarHBondContact O-N 3.4Å; C535-Q538 VanDerWaalsContact O-N 3.1Å; C535-D539 PolarHBondContact O-N 2.95Å
536L79.3Confident72.6Confident113 Ų113110.9 Ų110.959%0.59256%0.563SS**Hα-helixtrans-62.8-36.5178.5-68.8167.8000112.8E532 Q533 S540E532-L536 WeakPolarHBondContact O-CG 3.41Å; E532-L536 PolarHBondContact O-N 3.21Å; Q533-L536 PolarHBondContact O-N 2.75Å; L536-S540 WeakPolarHBondContact O-CB 3.22Å; L536-S540 PolarHBondContact O-N 2.75Å; L536-S540 VanDerWaalsContact O-N 3.08Å; L536-S540 PolarHBondContact O-OG 3.05Å
537V75.9Confident70.7Confident84 Ų84116 Ų11651%0.50959%0.587SS.*Hα-helixtrans-70.6-32.8174.2169.30000111.7Q533 L534 C535 N541Q533-V537 WeakPolarHBondContact O-CB 3.49Å; Q533-V537 VanDerWaalsContact O-CG2 3.31Å; Q533-V537 WeakPolarHBondContact O-CG2 3.35Å; Q533-V537 PolarHBondContact O-N 3.33Å; L534-V537 PolarHBondContact O-N 2.95Å; C535-V537 VanDerWaalsContact C-N 3.33Å; C535-V537 PolarHBondContact O-N 3.29Å; V537-N541 PolarHBondContact O-N 3.09Å; V537-N541 PolarHBondContact O-ND2 2.99Å
538Q65.1Low68.1Low138 Ų138119.5 Ų119.565%0.64560%0.601SS**Hα-helixtrans-71.4-46.5177.4-163.31642300111.4L534 C535 S540 N541 V542L534-Q538 WeakPolarHBondContact O-CB 3.44Å; L534-Q538 PolarHBondContact O-N 3.48Å; C535-Q538 WeakPolarHBondContact O-CB 3.31Å; C535-Q538 PolarHBondContact O-N 3.4Å; C535-Q538 VanDerWaalsContact O-N 3.1Å; Q538-S540 VanDerWaalsContact C-N 3.28Å; Q538-S540 PolarHBondContact O-N 3.22Å; Q538-N541 PolarHBondContact O-N 3.03Å; Q538-N541 VanDerWaalsContact O-N 3.13Å; Q538-V542 WeakPolarHBondContact O-CG2 3.29Å; Q538-V542 PolarHBondContact O-N 3.47Å
539D63.3Low65.6Low99 Ų99120 Ų12053%0.52961%0.614SS.*Hα-helixtrans-58.8-39.6171.9-75.5-36.8000111.9C535 N541 V542 Q543C535-D539 PolarHBondContact O-N 2.95Å; D539-N541 VanDerWaalsContact C-N 3.34Å; D539-N541 PolarHBondContact O-N 2.63Å; D539-V542 PolarHBondContact O-N 2.96Å; D539-Q543 PolarHBondContact O-N 3.18Å
540S59.3Low62.7Low75 Ų75121.4 Ų121.452%0.52464%0.638SS.*Hα-helixtrans-64.7-35.6176-60.70000112.8L536 Q538 M544L536-S540 WeakPolarHBondContact O-CB 3.22Å; L536-S540 PolarHBondContact O-N 2.75Å; L536-S540 VanDerWaalsContact O-N 3.08Å; L536-S540 PolarHBondContact O-OG 3.05Å; Q538-S540 VanDerWaalsContact C-N 3.28Å; Q538-S540 PolarHBondContact O-N 3.22Å; S540-M544 PolarHBondContact O-N 3.3Å
541N53.3Low59.8Low89 Ų89123.6 Ų123.648%0.47666%0.655SS.*Hα-helixtrans-69.2-38.8174.3-91-89.1000112.2V537 Q538 D539 Q543 M544 F545V537-N541 PolarHBondContact O-N 3.09Å; V537-N541 PolarHBondContact O-ND2 2.99Å; Q538-N541 PolarHBondContact O-N 3.03Å; Q538-N541 VanDerWaalsContact O-N 3.13Å; D539-N541 VanDerWaalsContact C-N 3.34Å; D539-N541 PolarHBondContact O-N 2.63Å; N541-Q543 VanDerWaalsContact C-N 3.28Å; N541-Q543 PolarHBondContact O-N 3.29Å; N541-M544 PolarHBondContact O-N 3.03Å; N541-M544 VanDerWaalsContact O-N 3.09Å; N541-F545 PolarHBondContact O-N 3.33Å
542V55.8Low57.2Low91 Ų91122.1 Ų122.155%0.55266%0.66SS**Hα-helixtrans-61.6-36.8177.5173.20000111.5Q538 D539Q538-V542 WeakPolarHBondContact O-CG2 3.29Å; Q538-V542 PolarHBondContact O-N 3.47Å; D539-V542 PolarHBondContact O-N 2.96Å
543Q52.7Low54.3Low158 Ų158124.4 Ų124.474%0.73868%0.675SS**Hα-helixtrans-67.7-35.8172.8-69.2-165.16.100113.3D539 N541D539-Q543 PolarHBondContact O-N 3.18Å; N541-Q543 VanDerWaalsContact C-N 3.28Å; N541-Q543 PolarHBondContact O-N 3.29Å
544M51.8Low51.6Low140 Ų140123.9 Ų123.969%0.6969%0.686SS**Hα-helixtrans-71-37.4-179.4-151.2-161.3-45.200112.5S540 N541 L546 Q547S540-M544 PolarHBondContact O-N 3.3Å; N541-M544 PolarHBondContact O-N 3.03Å; N541-M544 VanDerWaalsContact O-N 3.09Å; M544-L546 PolarHBondContact O-N 3.09Å; M544-Q547 PolarHBondContact O-N 3.49Å
545F47.9Very low49.1Very low196 Ų196128.1 Ų128.186%0.8670%0.7SS**Hα-helixtrans-71.5-13.1-176-139.5-88.8000114.1N541 Q547N541-F545 PolarHBondContact O-N 3.33Å; F545-Q547 VanDerWaalsContact C-N 3.32Å
546L48.9Very low46.6Very low151 Ų151130 Ų13079%0.79171%0.714SS**THydrogen-bonded Turntrans-84.33.7176.6-90163.2000114.2M544M544-L546 PolarHBondContact O-N 3.09Å
547Q49.3Very low44.1Very low169 Ų169130.5 Ų130.579%0.7973%0.727SS**  trans-138.956.7-170.3-157.4166.5113.300115.8M544 F545M544-Q547 PolarHBondContact O-N 3.49Å; F545-Q547 VanDerWaalsContact C-N 3.32Å
548Q35.2Very low41.7Very low187 Ų187132.7 Ų132.787%0.87474%0.741SS**  trans-136.4141.8152.9-71.8-159.812.700112.5
549P39.5Very low40Very low117 Ų117135.1 Ų135.176%0.7675%0.752SS**  trans-84.3147.6178.934.4-34.6000112.4
550A30.1Very low38.1Very low99 Ų99142 Ų14282%0.81877%0.77SS**  trans-73.8137.2179.500000113
551V31.1Very low37.4Very low135 Ų135143.5 Ų143.582%0.81878%0.779SS**  trans-126.2121.2165.51790000108.3
552S31.3Very low36Very low108 Ų108148.9 Ų148.976%0.75580%0.801SS**  trans-95.1130.2-174.6-49.30000111.9
553L28.9Very low34.7Very low151 Ų151148.8 Ų148.879%0.79181%0.81SS**  trans-136120.7163.5-72.4176.8000109.8
554S25.6Very low33.5Very low122 Ų122149 Ų14985%0.85381%0.811SS**  trans-110.3135.2169.7-57.60000109.1
555F27.1Very low32.4Very low200 Ų200149.9 Ų149.988%0.87781%0.813SS**  trans-109.6132.5167.6-88.8-87.6000110.1
556S26.4Very low31.5Very low109 Ų109149.7 Ų149.776%0.76282%0.815SS**  trans-91.3134.6-174.148.90000112.3
557S27.1Very low30.5Very low122 Ų122149.4 Ų149.485%0.85381%0.813SS**  trans-70.1146172.249.40000111.9
558T26.8Very low29.5Very low130 Ų130148.4 Ų148.480%0.79881%0.809SS**  trans-110.8119.8177.6-56.60000109.7
559Q28.1Very low29.3Very low190 Ų190146.7 Ų146.789%0.88880%0.801SS**  trans-136.3157.6162.5-80.6-164.7-13.700111.4
560R24.5Very low28.6Very low242 Ų242151.1 Ų151.191%0.91380%0.802SS**  trans-133168.1-178.4-110.4-153.3-179.5125.10.2108.9
561P43.3Very low28.4Very low107 Ų107151.5 Ų151.570%0.69580%0.799SS**  -112.6168.9-126.641.3-36.4000113.9
562E23.6Very low28.2Very low203 Ų203150 Ų15095%0.94980%0.801SS**  trans-156.6-178.1130.8-116162.4-167.100111.6
563A29Very low28Very low89 Ų89149 Ų14974%0.73680%0.799SS**  trans-99.8-176.8-16600000112.1
564Q27.8Very low28Very low161 Ų161148 Ų14875%0.75280%0.799SS**  cis-164.9152.919.3-153.2167.816.300112.5
565Q30Very low28.1Very low159 Ų159148.6 Ų148.674%0.74380%0.798SS**  trans52.9118.5156.6-79.7168.853.800121.9
566Q29.1Very low28.2Very low193 Ų193146.7 Ų146.790%0.90279%0.792SS**  -156.4161.7106.8-112-17712.300112.6
567L27Very low28.9Very low144 Ų144147.5 Ų147.575%0.75479%0.794SS**  trans-82.5170.8173.9-83.766.1000109.2
568Q29Very low28.9Very low148 Ų148149.2 Ų149.269%0.69279%0.789SS**  cis-176.8137.144-164.1166.276.400112.3
569Q30.6Very low29Very low152 Ų152150.9 Ų150.971%0.7179%0.792SS**  trans49.4157150.4-60174.733.300119.8
570R24.9Very low28.9Very low209 Ų209145 Ų14579%0.78978%0.782SS**  cis-157.4126.710.7-141.9172.9-178.3-177.81.5110.8
571S25.9Very low28.9Very low108 Ų108140.5 Ų140.576%0.75578%0.782SS**  39.8135.6129.3-45.90000124.9
572A26.3Very low28Very low104 Ų104138.7 Ų138.786%0.8678%0.782SS**  trans74.2146.9151.500000119.3
573A27.9Very low29.4Very low87 Ų87134.5 Ų134.572%0.71977%0.773SS**  cis-165.1150.4-16.600000113
574V28.4Very low29.4Very low129 Ų129138.7 Ų138.778%0.78278%0.777SS**  trans30128.1132.8-1650000117.8
575T26.8Very low29.6Very low134 Ų134138 Ų13882%0.82278%0.778SS**  -169.6159.470.6-33.60000113
576Q29.5Very low30.5Very low161 Ų161136.2 Ų136.275%0.75278%0.78SS**  trans-89.1174.3162.4-133.717817.500110.5
577P41.3Very low30.5Very low125 Ų125130.1 Ų130.181%0.81277%0.769SS**  -154-157.771.341.8-18.5000115.8
578Q27.8Very low30.9Very low158 Ų158131.3 Ų131.374%0.73877%0.771SS**  trans-109.3169.3-161.6-50.9169.1-74.500117
579L29.1Very low31.3Very low166 Ų166131.1 Ų131.187%0.86977%0.773SS**  98142.6128.5-128.673.6000123.4
580G25.4Very low31.3Very low66 Ų66128.5 Ų128.568%0.6877%0.771SS**  trans118.6135.3163.700000114.3
581T24.6Very low31.6Very low147 Ų147123.3 Ų123.390%0.90277%0.767SS**  cis-154.5164.5-1.845.70000111.3
582G24.6Very low31.7Very low69 Ų69122.3 Ų122.371%0.71177%0.765SS**  trans-90.5-144.6176.700000114.8
583P52.9Low31.8Very low116 Ų116126.3 Ų126.375%0.75377%0.766SS**  cis-149.3-179.13.945.7-26.4000119
584Q29.3Very low31.6Very low177 Ų177129 Ų12983%0.82777%0.773SS**  trans66.2144.9154.8-72.3168.1-13.200121.7
585L31.8Very low31.5Very low146 Ų146128.8 Ų128.876%0.76477%0.772SS**  cis84.6161.227.7-78170.5000116.1
586P49Very low31.3Very low122 Ų122126.9 Ų126.979%0.79276%0.764SS**  cis-80.5-167.57.338.1-40.5000114.2
587G29.1Very low31.1Very low64 Ų64127 Ų12766%0.6677%0.765SS**  cis176.5-163.14.400000108.6
588Q34.7Very low30.4Very low170 Ų170128.1 Ų128.179%0.79476%0.759SS**  cis-173.8160-21.7-136.2-178.3-41.800106.1
589I37.6Very low30.4Very low144 Ų144127.4 Ų127.474%0.73876%0.76SS**  cis-116.4-110.90.9-35.2177000108.9
590S29.4Very low30.4Very low96 Ų96126.2 Ų126.267%0.67175%0.754SS**  cis-160.5-168.4-23.5-131.30000109.1
591S31.7Very low30.4Very low100 Ų100132.7 Ų132.770%0.69976%0.757SS**  -167.6147.2-10051.10000113
592A29.4Very low30.5Very low87 Ų87132.9 Ų132.972%0.71975%0.748SS**  cis-171.9158.7-19.400000111.6
593Q26.4Very low30.7Very low188 Ų188133.9 Ų133.988%0.87974%0.744SS**  trans64.5139.5161.7-59.6-177.8-58.500122.5
594V25.6Very low29.4Very low144 Ų144134 Ų13487%0.87375%0.747SS**  162.4154.2119.7160.70000112.4
595T24.5Very low29.3Very low124 Ų124131.9 Ų131.976%0.76175%0.746SS**  trans-102.4152.5-169.5-36.90000114.2
596S23.8Very low29.2Very low94 Ų94132.8 Ų132.866%0.65775%0.75SS**  trans152.3133.2130.4-71.70000118.5
597Q25.8Very low28.1Very low164 Ų164132 Ų13277%0.76675%0.748SS**  trans64.2152.9134.5-70.8-170.381.100122.1
598H26.7Very low28.1Very low149 Ų149134.6 Ų134.669%0.6975%0.751SS**  cis-167.4157.6-13.2-132.4152.4000113.5
599L27.8Very low27.8Very low142 Ų142135.3 Ų135.374%0.74376%0.755SS**  trans65.1169155.7-111.561.5000118.2
600L28.1Very low27.4Very low142 Ų142131.9 Ų131.974%0.74375%0.754SS**  cis-115.3-171.6-0.6-86.1168000110.7
601R26.3Very low27.9Very low202 Ų202133.4 Ų133.476%0.76276%0.762SS**  cis78.5127.229.3-124-157.5172.699.52114.7
602E26Very low28Very low150 Ų150137.9 Ų137.970%0.70177%0.769SS**  cis-136.8145.230.1-68.4-135.39400113.7
603S29.2Very low28.7Very low90 Ų90139.8 Ų139.863%0.62977%0.774SS**  70.3139.498-42.30000115
604S25.8Very low28.7Very low118 Ų118138.4 Ų138.483%0.82577%0.77SS**  cis-151.1175.718.1-62.40000112.9
605V27.1Very low28.8Very low133 Ų133142.2 Ų142.281%0.80677%0.768SS**  trans-113.1147.3176.1175.60000111.1
606I28.7Very low28.8Very low165 Ų165141.1 Ų141.185%0.84677%0.765SS**  trans176.3155137.8-93.3157.1000111.7
607S27Very low29Very low106 Ų106140.9 Ų140.974%0.74176%0.764SS**  trans-137.9144.7179.8166.90000110.6
608T27.9Very low29.1Very low118 Ų118141.4 Ų141.472%0.72477%0.766SS**  trans-164.4123.6153.421.20000113.6
609Q29.6Very low29.2Very low186 Ų186140.8 Ų140.887%0.86977%0.768SS**  trans36.7137130.4-57.9178.2-2.500121.9
610G28.4Very low29.2Very low71 Ų71141 Ų14173%0.73277%0.766SS**  trans-105.3-174.7158.500000112.5
611P40.9Very low29.2Very low129 Ų129141.6 Ų141.684%0.83877%0.765SS**  trans-147.7176.2131.338.9-23.6000115.5
612K33.7Very low29.2Very low193 Ų193137.2 Ų137.284%0.83977%0.765SS**  trans-94.2151.9164.9-61.7176.7179.7177.60110.1
613P43.3Very low29.3Very low128 Ų128135.9 Ų135.983%0.83177%0.773SS**  -133.4-165.1128.436.2-24.7000114.1
614M25.8Very low29.2Very low159 Ų159135.3 Ų135.378%0.78378%0.781SS**  -175.6148-126.4173.4167.7165.700113.4
615R28.2Very low29.4Very low224 Ų224140.9 Ų140.985%0.84578%0.784SS**  trans70121.7161.7-114-174.7179.5169.60.2120.6
616S25.5Very low29.5Very low100 Ų100140.1 Ų140.170%0.69979%0.785SS**  108137.4118.2-155.40000122.5
617S27.4Very low29.4Very low90 Ų90135.6 Ų135.663%0.62978%0.779SS**  trans73.2105.1140.940.60000124.4
618Q27.2Very low29.5Very low175 Ų175136.3 Ų136.382%0.81878%0.784SS**  84.5138.7115.3-79.3-180-43.300124.9
619L28.7Very low29.4Very low136 Ų136135.2 Ų135.271%0.71278%0.781SS**  trans91.1134.1141.2-80162.2000123.1
620M28.3Very low29.4Very low145 Ų145133.3 Ų133.371%0.71478%0.776SS**  trans65.5152.3152.4-67.6-86.915700118.9
621Q28.2Very low29.3Very low156 Ų156136.1 Ų136.173%0.72978%0.779SS**  cis-170.8178.8-37.7-128.2-168.925.300108.2
622S26.6Very low28.9Very low109 Ų109134.8 Ų134.876%0.76277%0.772SS**  trans82.9153.6168.788.20000117.4
623S28.2Very low29.5Very low123 Ų123129.9 Ų129.986%0.8676%0.76SS**  cis-168144.2-25.4-1010000110.6
624G27.5Very low28.8Very low78 Ų78132.9 Ų132.980%0.80476%0.761SS**  trans131.6128.317100000114.8
625R29.6Very low28.9Very low235 Ų235130.2 Ų130.289%0.88776%0.757SS**  cis162.2135.5-46-175.5-176.9-166.3-150.94.7106.8
626S28.8Very low28.9Very low116 Ų116125.1 Ų125.181%0.81176%0.756SS**  trans73.8140.2176.5-50.20000116.9
627G27Very low29Very low71 Ų71125.4 Ų125.473%0.73277%0.765SS**  cis158.9141.3-18.100000117
628S27.7Very low29.1Very low120 Ų120128.2 Ų128.284%0.83978%0.778SS**  trans71.6148.2151.1-152.70000121.5
629S26.2Very low29.4Very low96 Ų96124.3 Ų124.367%0.67178%0.776SS**  trans74143.2141.4168.40000120.2
630L29.3Very low29.3Very low145 Ų145124.7 Ų124.776%0.75978%0.784SS**  cis-166.1150.1-14.7-100.1173.2000109
631V26.8Very low29.3Very low131 Ų131125.3 Ų125.379%0.79479%0.789SS**  trans67.5151.5140.1168.40000121.9
632S31.8Very low30.4Very low100 Ų100123.3 Ų123.370%0.69979%0.789SS**  trans-90.1-160177.159.40000111
633P48.1Very low31.3Very low90 Ų90124.1 Ų124.158%0.58479%0.792SS**  cis-123.4-166-2.143.2-23.7000112.8
634F28.3Very low31.2Very low192 Ų192123 Ų12384%0.84279%0.785SS**  -162.5149.380-97.8-80.8000114.7
635S27.8Very low31.2Very low102 Ų102126.6 Ų126.671%0.71379%0.785SS**  trans-60.8175.3161.9-46.70000113.4
636S27.2Very low30.9Very low118 Ų118121.6 Ų121.683%0.82578%0.775SS**  cis-176.6152.2-26.5-85.40000107.6
637A28.3Very low30.7Very low105 Ų105122.7 Ų122.787%0.86877%0.771SS**  trans-153.5158.1168.400000112.3
638T29.7Very low30.6Very low149 Ų149125.1 Ų125.191%0.91477%0.772SS**  trans-115167.2-161.618.10000116.2
639A32.3Very low30.6Very low94 Ų94125.3 Ų125.378%0.77777%0.768SS**  trans-58.1167.5-17600000118
640V28Very low31Very low144 Ų144126.9 Ų126.987%0.87378%0.776SS**  trans-166155.5138.8134.10000111
641L28.5Very low30.8Very low158 Ų158124.8 Ų124.883%0.82778%0.78SS**  trans-130.1-177175.4-71.5167.8000109.1
642P51.5Low30.9Very low113 Ų113123.9 Ų123.973%0.73478%0.779SS**  -99.3-147.7-75.532.9-13.8000109.7
643P44.5Very low30.6Very low126 Ų126126.2 Ų126.282%0.81879%0.789SS**  -146.4-151.669.340.4-18.2000114.3
644S26.2Very low29.6Very low101 Ų101127.4 Ų127.471%0.70680%0.8SS**  trans-127.1-166-158.853.70000114.3
645L27Very low29.6Very low153 Ų153128 Ų12880%0.80181%0.806SS**  trans84.2155.1167.3-55.3177.9000117.8
646N23.4Very low29.4Very low130 Ų130130.9 Ų130.970%0.69581%0.813SS**  cis-171165.4-36.7-148.7-2.1000109.8
647L24.9Very low29.4Very low139 Ų139129 Ų12973%0.72880%0.804SS**  trans62169165.7-8964.1000116.2
648T25.6Very low29.3Very low121 Ų121128.9 Ų128.974%0.74280%0.797SS**  cis-147.7161.42.1-16.30000111.7
649T27.7Very low29.2Very low124 Ų124130.8 Ų130.876%0.76180%0.796SS**  trans-82165.8156.645.10000112.1
650P34Very low28.9Very low129 Ų129132.2 Ų132.284%0.83880%0.799SS**  trans-127.4176130.637.7-31.1000112.9
651A25.3Very low28.8Very low101 Ų101134.1 Ų134.184%0.83580%0.798SS**  trans-112.5-178.1-160.400000115.4
652S28.5Very low29Very low112 Ų112132 Ų13278%0.78379%0.794SS**  trans-71.5151.5-177.953.40000116
653T26.2Very low28Very low149 Ų149131.7 Ų131.791%0.91479%0.794SS**  trans-137.9155.9145.337.50000110.2
654S26.5Very low27.4Very low115 Ų115131.7 Ų131.780%0.80479%0.794SS**  trans-124.7149.5-170.252.40000112.3
655Q27.9Very low27.6Very low206 Ų206133.4 Ų133.496%0.96380%0.795SS**  trans-152.6171.8153.1-116.8173.812.900110.9
656D25Very low27.8Very low162 Ų162136 Ų13687%0.86680%0.801SS**  trans-127.7-173.9-144.6-164.44.1000113
657A26.1Very low28.3Very low78 Ų78134.7 Ų134.765%0.64580%0.801SS**  trans101.378.9169.400000118.6
658S26.7Very low29Very low103 Ų103136.3 Ų136.372%0.7281%0.805SS**  51.7118124.365.70000122.3
659Q28.1Very low29.6Very low189 Ų189137.2 Ų137.288%0.88381%0.805SS**  -166.7136.7117.2-109.4174.654.200114
660C25.1Very low30Very low124 Ų124142 Ų14284%0.83881%0.809SS**  trans43.5138.6156.4-620000124.1
661Q26.4Very low30.1Very low184 Ų184143.2 Ų143.286%0.8680%0.804SS**  trans-80.8-173.7168.2-63.5-173.2-24.600112.3
662P33.3Very low30.8Very low114 Ų114144.5 Ų144.574%0.7480%0.796SS**  cis-129.2171.4-8.518.86.1000115.8
663S29.3Very low31.3Very low105 Ų105149.9 Ų149.973%0.73480%0.799SS**PPolyproline II helixtrans-88.4140.8159.549.30000111.7
664P32.8Very low31.8Very low126 Ų126149.5 Ų149.582%0.81879%0.791SS**PPolyproline II helixtrans-99118.2171.134.3-28.1000112.5
665D30Very low32.2Very low137 Ų137151.2 Ų151.273%0.73379%0.79SS**PPolyproline II helixtrans-87.1172.5155.8-85.4-56.6000110.9
666F32.1Very low32.6Very low208 Ų208149.4 Ų149.491%0.91279%0.786SS**  trans65.6104.8173.1-65.5-86.2000118.5
667S33.3Very low33.2Very low102 Ų102145.7 Ų145.771%0.71377%0.773SS**  trans-151.623.7162.161.20000116.6
668H39.2Very low33.5Very low173 Ų173150.4 Ų150.480%0.80178%0.782SS**SBendtrans-92.3-31.5179.8-74.9-69.6000115.7R670H668-R670 VanDerWaalsContact C-N 3.35Å; H668-R670 PolarHBondContact O-N 2.94Å
669D39.3Very low33.8Very low140 Ų140150.7 Ų150.775%0.74978%0.781SS**THydrogen-bonded Turntrans-73.4-22.1-171-157.1-108.1000114.5
670R35.7Very low34.3Very low225 Ų225149.9 Ų149.985%0.84978%0.781SS**THydrogen-bonded Turntrans-85.3-10.2-169.6-128.8178.7-167.3-130.62.1115.6H668H668-R670 VanDerWaalsContact C-N 3.35Å; H668-R670 PolarHBondContact O-N 2.94Å
671Q36.5Very low34.6Very low155 Ų155152 Ų15272%0.72478%0.779SS**SBendtrans-82.6-30.7-177.5-151.774.9-4.200112.7R673Q671-R673 PolarHBondContact O-N 3.45Å
672L38.3Very low34.8Very low128 Ų128149.5 Ų149.567%0.6778%0.778SS**G310 helixtrans-74.3-21.6-173-76.4165.2000114.2L674L672-L674 VanDerWaalsContact C-N 3.33Å; L672-L674 PolarHBondContact O-N 3.46Å
673R38.8Very low34.6Very low224 Ų224152.7 Ų152.785%0.84579%0.786SS**G310 helixtrans-84.38.2-177.7-97.5-178.2173.1161.30.6116.1Q671Q671-R673 PolarHBondContact O-N 3.45Å
674L37.5Very low34.8Very low142 Ų142155.7 Ų155.774%0.74379%0.79SS**G310 helixtrans-118.7-1.6178.5-84165.9000115.2L672L672-L674 VanDerWaalsContact C-N 3.33Å; L672-L674 PolarHBondContact O-N 3.46Å
675L35.8Very low34.8Very low150 Ų150155.8 Ų155.879%0.78579%0.791SS**SBendtrans-100.2-7.1-179.5-81.3165.7000114.9
676L35.5Very low34.8Very low169 Ų169152.7 Ų152.789%0.88579%0.791SS**SBendtrans-95.119.2-176.8-78.8166.3000114.6
677S38.1Very low34.6Very low84 Ų84148.6 Ų148.659%0.58779%0.788SS**  trans-142.656.3-173.668.10000115.1
678Q32.8Very low34.4Very low177 Ų177149.5 Ų149.583%0.82779%0.793SS**SBendtrans-140.3147157.5-73.6-60.4-12.600110.8
679P32.6Very low33.9Very low109 Ų109149.1 Ų149.171%0.70880%0.797SS**PPolyproline II helixtrans-85.8138.9-173.833.4-33.8000113.2
680I37.5Very low33.5Very low171 Ų171146.9 Ų146.988%0.87780%0.798SS**PPolyproline II helixtrans-75.6128174.5-60.1170.1000110
681Q32.8Very low33.1Very low170 Ų170148 Ų14879%0.79480%0.802SS**PPolyproline II helixtrans-97.5140.8168.3-66.9-173.3-4.200110.6
682P30.5Very low32.8Very low131 Ų131149 Ų14985%0.85181%0.807SS**PPolyproline II helixtrans-80.8129.7172.932-32.2000111.1
683M28Very low32.5Very low181 Ų181148.6 Ų148.689%0.89281%0.812SS**  trans-109.9138.2166.9-80.6-174.161.700110.8
684M33.1Very low31.9Very low168 Ų168143.7 Ų143.783%0.82881%0.812SS**  trans-79.9152.5173.7-69-67.2-71.900110.8
685P32.7Very low31.5Very low128 Ų128146 Ų14683%0.83182%0.819SS**  trans-66.1139.1176.727.8-34.8000111.8
686G30.5Very low31.2Very low71 Ų71146 Ų14673%0.73283%0.825SS**  trans-134.7148.217500000110.6
687S29.2Very low30.9Very low122 Ų122143.5 Ų143.585%0.85382%0.821SS**  trans-53.2139.8-169.5-167.30000114.1
688C27.9Very low30.4Very low122 Ų122151.1 Ų151.182%0.82484%0.837SS**  trans-63.2146.6159.3-57.40000110.2
689D28.8Very low30.3Very low164 Ų164149.5 Ų149.588%0.87784%0.84SS**  trans-148.5135.5161.5-159.7-3.8000108.2
690A30.9Very low30.1Very low93 Ų93147.8 Ų147.877%0.76984%0.842SS**  trans-100.5137.1-160.800000113.1
691R27.3Very low29.7Very low249 Ų249152 Ų15294%0.9485%0.847SS**  trans-131.4110.5166.8-77.1-166.9176.5-170.70.7112.6
692Q31.2Very low29.3Very low177 Ų177152.2 Ų152.283%0.82785%0.848SS**  trans-68156.4155.8-80.5-91.1-18.400110.3
693P31Very low29.1Very low118 Ų118151.9 Ų151.977%0.76684%0.843SS**  trans-75.2160.2179.632.7-36000112.6
694S27.1Very low29.1Very low122 Ų122151 Ų15185%0.85384%0.835SS**  trans-112.6115.2176.9-56.80000111.5
695E27.7Very low28.8Very low190 Ų190153.1 Ų153.189%0.88884%0.835SS**  trans-76.5154.2165.2-73.6-164.5112.900112.2S697E695-S697 PolarHBondContact O-N 3.5Å
696V30.7Very low28.6Very low150 Ų150150.9 Ų150.991%0.90983%0.827SS**  trans-82.4114.4-179.2175.30000110.7
697S28.4Very low28.4Very low117 Ų117156 Ų15682%0.81883%0.832SS**  trans-78.3143.9178-72.20000113.7E695E695-S697 PolarHBondContact O-N 3.5Å
698R28.6Very low28.3Very low243 Ų243154.4 Ų154.492%0.91782%0.821SS**  trans-91.6167.6170.5-143.4172-178.4-177.4-0.4111G700R698-G700 PolarHBondContact O-N 3.13Å
699T29.8Very low28.3Very low143 Ų143157.1 Ų157.188%0.87782%0.821SS**  trans-75.6102.7-159.250.90000116.9
700G28Very low28.1Very low74 Ų74154.9 Ų154.976%0.76381%0.814SS**  40.5143123.900000124.6R698R698-G700 PolarHBondContact O-N 3.13Å
701R29.6Very low27.9Very low258 Ų258157 Ų15797%0.97482%0.817SS**  trans-148.6169.2139.9-127.1-179.1178.6-150.5-2111.7
702Q25Very low27.8Very low175 Ų175154.3 Ų154.382%0.81881%0.812SS**  trans-97.3173.9-163.6-65.4-178.4-13.500115.5
703V26.7Very low28.3Very low125 Ų125150.5 Ų150.576%0.75880%0.803SS**  trans120.6129.7144.8175.80000113.4
704K27.3Very low28.2Very low163 Ų163152 Ų15271%0.70980%0.804SS**  cis-169135.8-20.4-106-169.6-178.7179.90108
705Y27.2Very low29Very low212 Ų212150.4 Ų150.483%0.83179%0.791SS**  trans55.8150.4152-76.5-86.9000119.5
706A26.9Very low29Very low80 Ų80148.2 Ų148.266%0.66179%0.786SS**  cis-150174.2-2.900000112.3
707Q26.4Very low29Very low179 Ų179145.4 Ų145.484%0.83678%0.778SS**  trans-14.1154.7154.2-82.2162.3-65.500119.7
708S27.3Very low28.9Very low89 Ų89149 Ų14962%0.62278%0.781SS**  cis-170.1151.110.435.70000113.6
709Q27.8Very low29.3Very low179 Ų179142.9 Ų142.984%0.83677%0.774SS**  trans59.8140.6145.7-67.8179.8-2.500118.2
710T26Very low29.4Very low117 Ų117142.5 Ų142.572%0.71877%0.771SS**  cis-160162.14.5-2.50000111
711V25.5Very low29.4Very low137 Ų137146.4 Ų146.483%0.8377%0.774SS**  trans58.584158.8-1740000117.1
712F25.4Very low29.3Very low192 Ų192139.3 Ų139.384%0.84276%0.764SS**  trans-64.7173.6140.6-87-103.4000110.6
713P42Very low29.6Very low98 Ų98136.6 Ų136.664%0.63677%0.765SS**  cis-151.8-175.5-41.941.4-22.5000116.5
714N28.6Very low29.7Very low148 Ų148136.5 Ų136.579%0.79177%0.769SS**  trans76162.1135.5-91.437.6000122.4
715P44.3Very low30.1Very low90 Ų90133 Ų13358%0.58477%0.77SS**  -146.7-147.5-122.739.4-11.9000114
716D27.1Very low30.5Very low143 Ų143129 Ų12977%0.76577%0.77SS**  trans61.989.9148.4-61.6-11.1000120.3
717A30.9Very low30.6Very low91 Ų91133.8 Ų133.875%0.75278%0.781SS**  57118.511000000120.6
718H27.2Very low31.3Very low192 Ų192130.3 Ų130.389%0.88977%0.774SS**  trans-110.2139.2149.1-76.7-79.5000110.4
719P37.2Very low31.5Very low116 Ų116133 Ų13375%0.75379%0.787SS**  trans-88140154.934-29.7000111.5
720V30.1Very low31.5Very low135 Ų135131.2 Ų131.282%0.81878%0.782SS**  trans29.9120.3136.2-174.50000118.5
721N28.5Very low31.8Very low156 Ų156133.8 Ų133.883%0.83479%0.791SS**  -151.1158.5124.6-131.7-10.6000114
722S28.4Very low32.1Very low108 Ų108134.9 Ų134.976%0.75579%0.789SS**PPolyproline II helixtrans-83.6154-175.948.60000113.9
723S29.9Very low32.5Very low119 Ų119129.2 Ų129.283%0.83278%0.784SS**PPolyproline II helixtrans-91.5142.8174.451.40000113.2
724S28.9Very low31.9Very low122 Ų122133.3 Ų133.385%0.85380%0.795SS**PPolyproline II helixtrans-98.8152153.355.20000109.2
725A35.5Very low32.1Very low89 Ų89131.1 Ų131.174%0.73680%0.798SS**  trans-127.6147.2-177.900000111.1
726P35.6Very low31.3Very low128 Ų128133.6 Ų133.683%0.83181%0.81SS**  trans-78.7154.3178.233.2-35.3000112.1
727M30.9Very low31.3Very low181 Ų181134.6 Ų134.689%0.89282%0.815SS**  trans-117.2152173.3-83.9-69.2-173.500111.7
728P40.4Very low31.3Very low106 Ų106139 Ų13969%0.68882%0.82SS**  trans-92.1161.9-169.436.7-36.4000114.3
729V30.3Very low31.7Very low147 Ų147135.7 Ų135.789%0.89182%0.815SS**  trans-70.2134.21671770000110.1
730L27.8Very low31.2Very low141 Ų141135.7 Ų135.774%0.73882%0.818SS**  trans-126.2127.4171.2-158.1100.9000110.5M732L730-M732 HydrophobicContact CD2-CG 3.97Å
731L33.8Very low31.1Very low170 Ų170138.7 Ų138.789%0.8982%0.82SS**  trans-87.6120.7176.7-166.379.5000109.5
732M31.1Very low31.3Very low160 Ų160137.4 Ų137.479%0.78882%0.821SS**  trans-137.3127.9173.1-92.8-67.2174.500111.3L730L730-M732 HydrophobicContact CD2-CG 3.97Å
733G33.9Very low31.2Very low73 Ų73137.3 Ų137.375%0.75383%0.826SS**  trans-135.1113.6168.800000109.5
734Q30.5Very low31.2Very low185 Ų185137.5 Ų137.586%0.86483%0.827SS**  trans-151.2137.9166.9-111-179.79.200109.6
735A31.5Very low31.1Very low102 Ų102140.3 Ų140.384%0.84383%0.827SS**  trans-80142.7173.200000110.4
736V27.8Very low31.5Very low141 Ų141140.9 Ų140.986%0.85582%0.823SS**  trans-110.4130.8175.3178.70000109.4
737L27.8Very low31.1Very low164 Ų164139.8 Ų139.886%0.85982%0.818SS**PPolyproline II helixtrans-82.2151178.8-72.8157.9000111.3
738H29.6Very low31.9Very low184 Ų184136.5 Ų136.585%0.85281%0.811SS**PPolyproline II helixtrans-62.1139.8173-81.3-101.7000112.2
739P35.4Very low31.2Very low123 Ų123139.6 Ų139.680%0.79982%0.82SS**PPolyproline II helixtrans-72.8141.9164.331.5-33.2000110.6
740S26.8Very low31Very low115 Ų115141 Ų14180%0.80482%0.818SS**PPolyproline II helixtrans-96.3154.9179.247.80000112.4
741F29.4Very low32Very low199 Ų199139.7 Ų139.787%0.87382%0.817SS**PPolyproline II helixtrans-61.4146.9176.8-75.5-93.5000112.5
742P32.1Very low31.7Very low129 Ų129136.2 Ų136.284%0.83881%0.813SS**PPolyproline II helixtrans-75.9130177.130.9-34000112
743A27Very low31.6Very low105 Ų105137.9 Ų137.987%0.86882%0.819SS**  trans-124.2146.4166.100000109.7
744S29.6Very low31.5Very low123 Ų123139.1 Ų139.186%0.8682%0.822SS**  trans-96.5164.3-163.751.40000115.3
745Q26.4Very low31.3Very low182 Ų182141.3 Ų141.385%0.8582%0.822SS**  trans-145.6165.5172.9-100.6-160.427.300109
746P44.9Very low31.3Very low100 Ų100145 Ų14565%0.64982%0.822SS**  cis-135-176.8-14.932.9-13.2000114.6
747S25.8Very low31.4Very low105 Ų105146.8 Ų146.873%0.73482%0.821SS**  trans88158.8157.7-37.90000118.1
748P48.6Very low32.5Very low112 Ų112144.4 Ų144.473%0.72782%0.816SS**  -138.5172.2-50.837.7-22.3000114.1
749L26Very low33.6Very low171 Ų171140.4 Ų140.490%0.89581%0.806SS**  trans139.1148.5145.7-75160.2000115.9
750Q26.2Very low33.4Very low178 Ų178142.1 Ų142.183%0.83280%0.803SS**  trans-103.7-167.8168.4-52179.9-35.700109.2
751P48.1Very low33.5Very low112 Ų112143.5 Ų143.573%0.72780%0.797SS**  cis-137.9164.9-10.238.3-20.3000116.9
752A28.3Very low33.3Very low97 Ų97142.8 Ų142.880%0.80279%0.789SS**  trans-171114.3145.400000108.6
753Q29Very low33.2Very low195 Ų195143.6 Ų143.691%0.91179%0.786SS**  72.581.365-71.4-154.51.400117.5
754A31.2Very low33.3Very low99 Ų99145.6 Ų145.682%0.81878%0.778SS**  trans179.7104.713800000108.4
755R26.9Very low33.3Very low231 Ų231145.7 Ų145.787%0.87277%0.773SS**  69.78767-165.8-162.6176.9-173.9-0.5114.8
756Q31.3Very low33.4Very low181 Ų181145.5 Ų145.585%0.84677%0.772SS**  -170.1165.3123.3-103.9168.659.900112.9
757Q29.8Very low32.8Very low178 Ų178144.8 Ų144.883%0.83277%0.774SS**  trans-133.5-166.4176.7-57.6-179.9-44.600107.7
758P49.3Very low33.9Very low114 Ų114145.1 Ų145.174%0.7477%0.774SS**  -116.8-124.9-69.530.9-10.4000111.2
759P54.2Low33.1Very low99 Ų99145.3 Ų145.364%0.64377%0.773SS**  -124.6-172.7-91.433.8-14.3000116.3
760Q30.2Very low33.6Very low160 Ų160141.2 Ų141.275%0.74876%0.759SS**  trans95.1150.5132.8-109.8176.6-4.300123.5
761H28.5Very low33.8Very low144 Ų144139.3 Ų139.367%0.66775%0.754SS**  trans71.8103.1152.4-76.5-65.6000124.6
762Y27.1Very low33Very low183 Ų183141.1 Ų141.172%0.71875%0.752SS**  75.1163.4106.8-142.7-95.7000122.3
763L29.8Very low33.1Very low147 Ų147140.3 Ų140.377%0.7774%0.741SS**  trans82.5120.7-174.3-57.9171.1000114.5
764Q28.2Very low33.1Very low147 Ų147138 Ų13869%0.68773%0.73SS**  cis82.5111.321.9-163.7-173.8-4.100115.7
765V29.8Very low33.1Very low125 Ų125140.3 Ų140.376%0.75872%0.724SS**  trans165.5139160.2142.40000106.8
766Q27.5Very low33.3Very low177 Ų177137.1 Ų137.183%0.82772%0.719SS**  cis-153.7152.5-16.9-111.6166.1-13.900109.3
767A32.6Very low33.2Very low86 Ų86134.3 Ų134.371%0.71171%0.709SS**  trans-112.6-153.6157.700000107.1
768P48.7Very low33Very low111 Ų111131.6 Ų131.672%0.72171%0.71SS**  cis-93.2-130.810.922.5-2.1000111
769T33Very low32.1Very low117 Ų117133.7 Ų133.772%0.71871%0.714SS**  cis-168.5143.710.7-10.80000106.4
770S35.7Very low30.9Very low84 Ų84135.9 Ų135.959%0.58772%0.72SS**  cis-173.7-174.7-13.649.40000108.2
771L30.8Very low30.7Very low139 Ų139135.8 Ų135.873%0.72872%0.723SS**  trans70.6162.6173.3-36-175.6000112.9
772H31.9Very low30.6Very low149 Ų149133.3 Ų133.369%0.6972%0.722SS**  cis-167.7153.2-33.8-98.6-40.3000105.9
773S29Very low30.5Very low81 Ų81129.5 Ų129.557%0.56672%0.718SS**  cis-176178.8-20.9-106.30000107.8
774E30.3Very low30.4Very low145 Ų145132.7 Ų132.768%0.67872%0.722SS**  cis-140.2-83.111.2-156.169.486.900112.4
775Q31.5Very low30.3Very low149 Ų149130.2 Ų130.270%0.69672%0.72SS**  trans-152.1176.7-163.9-69.3-178.3-88.700109.7
776Q30.5Very low30.2Very low164 Ų164133 Ų13377%0.76673%0.725SS**  cis-153.5171.218.4-155.4156.38.200115.1
777D28.6Very low30.3Very low121 Ų121133 Ų13365%0.64773%0.725SS**  trans-61.7155.5-168.5-48.4-87.6000119.5
778S26.7Very low30.9Very low121 Ų121134.6 Ų134.685%0.84673%0.728SS**  -171.5153.8119.3-79.80000112.9
779L29.9Very low30Very low159 Ų159132.7 Ų132.783%0.83273%0.729SS**  trans-144.5176.8-169.4-77.4171.3000113.4
780L28.8Very low29.9Very low145 Ų145133.3 Ų133.376%0.75973%0.733SS**  trans88.3133.6165.4-51.5-176.8000116.2
781L26.3Very low29.6Very low157 Ų157137.6 Ų137.682%0.82275%0.748SS**  74.2141.955.3-88.380.3000113.5
782S25.4Very low29.4Very low92 Ų92134.5 Ų134.564%0.64375%0.75SS**  cis-175.9166.2-5.4178.20000113.2
783T25.6Very low29.5Very low103 Ų103138.1 Ų138.163%0.63276%0.759SS**  trans86154.7145.8-4.10000123.5
784Y28Very low30.3Very low215 Ų215140.3 Ų140.384%0.84377%0.771SS**  trans79146.7159.6-69.7-59.8000119.4
785S26.8Very low30.5Very low94 Ų94141.8 Ų141.866%0.65778%0.778SS**  cis-166.8153-4.952.40000115.6
786Q27.6Very low31.6Very low185 Ų185139.9 Ų139.986%0.86478%0.779SS**  trans70.4155.8143.3-71.4-7511.200123.3
787Q28.4Very low33.1Very low176 Ų176137.6 Ų137.682%0.82278%0.778SS**  trans-99.9-165172.5-71.5-166.8-19.200110.5
788P45.1Very low34.1Very low119 Ų119137.8 Ų137.877%0.77379%0.786SS**  cis-145.4163.6242.7-22.9000120.4
789G29.4Very low34.4Very low71 Ų71136.4 Ų136.473%0.73278%0.782SS**  trans63.9175.7143.800000121.6
790T30.5Very low34.7Very low130 Ų130137.6 Ų137.680%0.79878%0.783SS**  cis-166.7166.3-27.8-63.70000108
791L31Very low35.5Very low175 Ų175136.2 Ų136.292%0.91678%0.783SS**  trans83.3148.7174.7-50163.1000115.7
792G26.7Very low35.8Very low74 Ų74137 Ų13776%0.76378%0.782SS**  cis-178.5160.9-5.800000113.3
793Y34.2Very low37.2Very low225 Ų225137.6 Ų137.688%0.88278%0.784SS**  trans-98.1156.7178.2-103.1-82.7000111.7
794P45.5Very low37.4Very low127 Ų127141 Ų14183%0.82580%0.797SS**  -154.6-169.681.140.3-17.7000118.3
795Q33.1Very low37.4Very low175 Ų175142.1 Ų142.182%0.81880%0.8SS**  trans-98.2-163.7-174.2-85.3-176-33.200114.3
796P54.9Low39Very low109 Ų109142.9 Ų142.971%0.70880%0.803SS**  cis-129.8-143.5-40.834.7-12.7000110.3
797P62.2Low39.7Very low116 Ų116139.6 Ų139.675%0.75380%0.797SS**  cis-116.6-120.5-20.140.8-19.8000111.8
798P49.3Very low39.7Very low126 Ų126142.3 Ų142.382%0.81880%0.8SS**  cis-116.9-151.2-0.945-29.4000114.7
799A34.7Very low39.1Very low91 Ų91147.6 Ų147.675%0.75281%0.805SS**  trans-155.7160.5-171.700000119.5
800Q34.3Very low39Very low185 Ų185150.4 Ų150.486%0.86481%0.807SS**  trans68164.9157.9-83.6-158.626.800120.3
801P45.7Very low39.1Very low116 Ų116148.8 Ų148.875%0.75380%0.801SS**  cis-138-167.821.844.4-24.6000118.8
802Q33.4Very low39.1Very low174 Ų174145 Ų14581%0.81379%0.79SS**  trans-91.4-159.4166.8-50.8-175.3-6.800111.3
803P54.3Low39.5Very low104 Ų104148.5 Ų148.568%0.67579%0.79SS**  cis-137.2-169.9-14.643.3-25.3000115
804L29.5Very low39.6Very low174 Ų174142.8 Ų142.891%0.91178%0.783SS**  trans179.7179.9135.8-98.5163.8000115.6
805R28.7Very low39.2Very low238 Ų238144 Ų14490%0.89878%0.777SS**  trans-139.7173.8-162.7-107.8-172.8175179.3-0.2114.8
806P61.1Low39.1Very low111 Ų111140.8 Ų140.872%0.72177%0.774SS**  trans-95.7178.5-162.340-40.6000116.5
807P42.6Very low38.4Very low115 Ų115141.6 Ų141.675%0.74778%0.783SS**  -156157.6123.839.2-20.8000120.6
808R28.1Very low37Very low234 Ų234139.6 Ų139.688%0.88378%0.784SS**  trans55.3110.6138.5-70.1178.9170.6177.3-3.2125.6
809R31.7Very low36.4Very low230 Ų230141.6 Ų141.687%0.86879%0.786SS**  37.1120.3105.6-175.6-154.6-88-166.6-6.9122
810V28.1Very low36.1Very low130 Ų130146.1 Ų146.179%0.78879%0.792SS**  trans-152.2125140.9-172.20000106.2
811S31.6Very low36.2Very low96 Ų96145.7 Ų145.767%0.67179%0.79SS**  61.9143.976.7-35.40000115.5
812S31.7Very low37.2Very low96 Ų96145 Ų14567%0.67179%0.785SS**  cis177.6151.9-1749.80000112.5
813L35.3Very low38.9Very low147 Ų147141.9 Ų141.977%0.7778%0.78SS**  trans69.1165161.9-58.8157.1000116.5
814S35.3Very low38.1Very low105 Ų105152.3 Ų152.373%0.73481%0.806SS**  cis-155.4-179.612.3-23.20000110
815E38.4Very low38.6Very low151 Ų151151.3 Ų151.371%0.70680%0.801SS**  cis-172.6-170.4-28.1-103.1172.17200110.2
816S30.9Very low39.1Very low108 Ų108146.7 Ų146.776%0.75580%0.796SS**  trans77.7125.5177.273.50000118.1
817S38.6Very low37.9Very low126 Ų126148.7 Ų148.788%0.88180%0.8SS**  cis89.6134.210-41.30000116.6
818G34.1Very low37.6Very low75 Ų75150.6 Ų150.677%0.77380%0.803SS**  cis-141-155.9-1.400000111.7
819L35.8Very low38.2Very low168 Ų168145.4 Ų145.488%0.8880%0.798SS**  cis-165.9172.520.2-115.5171.8000112.6
820Q29.9Very low38.6Very low185 Ų185139.8 Ų139.886%0.86479%0.794SS**  trans86.2164.6154.9-86.2179.3-7.100123.7
821Q35.6Very low39.4Very low176 Ų176140.5 Ų140.582%0.82279%0.794SS**  trans-159.7-173.5-157.2-130-167.431.500106.4
822P67.3Low40Very low102 Ų102143.9 Ų143.966%0.66280%0.804SS**  cis-124.4-147.5-2941.2-21.3000108.6
823P68.4Low40.6Very low109 Ų109147.9 Ų147.971%0.70882%0.815SS**  cis-136.1167.3-10.341.1-23.3000118.3
824R38.2Very low41.1Very low323 Ų323148 Ų148100%1.21982%0.819SS**  trans63.30159.3-76.4-173.5175.3173.40.3118.2

Retrieved 824 of 824 residues in 156.1 ms (Link to these results)

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