X5DR62_HUMAN Loading...

Neuronal PAS domain protein 2 isoform A

AlphaFold DB , UniProt , Accession X5DR62, Species HUMAN (Homo sapiens, Human), 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
1M56Low79.6Confident222 Ų222116.9 Ų116.9100%1.09456%0.557SS**  0105.20-158.5179.5-155.300105.5
2D71.1Confident80.5Confident119 Ų119111.9 Ų111.964%0.63655%0.55SS*.  trans-82.3146.4-154.6-55.2-85.9000111.9D4 E5 K6D2-D4 PolarHBondContact O-N 3.07Å; D2-D4 VanDerWaalsContact O-N 3.17Å; D2-E5 PolarHBondContact O-N 3.36Å; D2-K6 PolarHBondContact O-N 3.48Å
3E71.5Confident81.5Confident116 Ų116109.6 Ų109.654%0.54255%0.552SS.*Hα-helixtrans-59.2-29.1179.8-74-67.4123.200111.4E5 K6 D7E3-E5 VanDerWaalsContact C-N 3.32Å; E3-E5 PolarHBondContact O-N 3.36Å; E3-K6 WeakPolarHBondContact O-CB 3.29Å; E3-K6 PolarHBondContact O-N 3.37Å; E3-K6 VanDerWaalsContact OE1-CD 3.26Å; E3-K6 WeakPolarHBondContact OE1-CD 3.45Å; E3-K6 IonicContact OE1-NZ 3.57Å; E3-K6 PolarHBondContact OE1-NZ 3.14Å; E3-K6 WeakPolarHBondContact OE2-CD 3.32Å; E3-K6 IonicContact OE2-NZ 3.01Å; E3-K6 PolarHBondContact OE2-NZ 3.29Å; E3-D7 WeakPolarHBondContact O-CB 3.45Å; E3-D7 PolarHBondContact O-N 2.7Å
4D77.5Confident82.4Confident122 Ų122114.6 Ų114.665%0.65256%0.561SS**Hα-helixtrans-60-35.7173.4-85.6-45.9000113.9D2 R8D2-D4 PolarHBondContact O-N 3.07Å; D2-D4 VanDerWaalsContact O-N 3.17Å; D4-R8 VanDerWaalsContact O-CB 3.25Å; D4-R8 WeakPolarHBondContact O-CB 3.39Å; D4-R8 PolarHBondContact O-N 3.44Å
5E81.2Confident83.3Confident98 Ų98112.9 Ų112.946%0.45856%0.555SS.*Hα-helixtrans-75.6-40.2178.5-168.753.4-132.700110.7D2 E3 D7 R8 A9D2-E5 PolarHBondContact O-N 3.36Å; E3-E5 VanDerWaalsContact C-N 3.32Å; E3-E5 PolarHBondContact O-N 3.36Å; E5-D7 VanDerWaalsContact C-N 3.29Å; E5-D7 PolarHBondContact O-N 3.01Å; E5-R8 WeakPolarHBondContact O-CB 3.34Å; E5-R8 PolarHBondContact O-N 3Å; E5-R8 WeakPolarHBondContact OE1-CD 3.47Å; E5-R8 IonicContact OE2-NE 3.52Å; E5-A9 WeakPolarHBondContact O-CB 3.34Å; E5-A9 PolarHBondContact O-N 2.9Å
6K79.8Confident84Confident108 Ų108116.6 Ų116.647%0.4757%0.567SS.*Hα-helixtrans-60.4-38.4171.6-177-173176-162.60111.3D2 E3 K10D2-K6 PolarHBondContact O-N 3.48Å; E3-K6 WeakPolarHBondContact O-CB 3.29Å; E3-K6 PolarHBondContact O-N 3.37Å; E3-K6 VanDerWaalsContact OE1-CD 3.26Å; E3-K6 WeakPolarHBondContact OE1-CD 3.45Å; E3-K6 IonicContact OE1-NZ 3.57Å; E3-K6 PolarHBondContact OE1-NZ 3.14Å; E3-K6 WeakPolarHBondContact OE2-CD 3.32Å; E3-K6 IonicContact OE2-NZ 3.01Å; E3-K6 PolarHBondContact OE2-NZ 3.29Å; K6-K10 WeakPolarHBondContact O-CG 3.45Å; K6-K10 PolarHBondContact O-N 3.39Å
7D85.5Confident84.7Confident52 Ų52113.7 Ų113.728%0.27856%0.562SS.*Hα-helixtrans-77.4-34.5176.6-125.153.3000112.8E3 E5 A9 K10 R11E3-D7 WeakPolarHBondContact O-CB 3.45Å; E3-D7 PolarHBondContact O-N 2.7Å; E5-D7 VanDerWaalsContact C-N 3.29Å; E5-D7 PolarHBondContact O-N 3.01Å; D7-A9 VanDerWaalsContact C-N 3.33Å; D7-K10 PolarHBondContact O-N 3.42Å; D7-K10 WeakPolarHBondContact OD1-CD 3.44Å; D7-K10 WeakPolarHBondContact OD1-CE 3.36Å; D7-K10 IonicContact OD1-NZ 3.17Å; D7-K10 PolarHBondContact OD1-NZ 3.4Å; D7-R11 VanDerWaalsContact O-CG 3.27Å; D7-R11 WeakPolarHBondContact O-CG 3.3Å; D7-R11 PolarHBondContact O-N 3.22Å; D7-R11 IonicContact OD2-CZ 3.19Å; D7-R11 IonicContact OD2-NE 3.01Å; D7-R11 IonicContact OD2-NH2 3.85Å; D7-R11 PolarHBondContact OD2-NH2 3.01Å
8R88.1Confident85.3Confident163 Ų163111.1 Ų111.162%0.61555%0.548SS*.Hα-helixtrans-57.5-46167.1-178.2-176.6-65.8-116.5-0.9110.7D4 E5 R11 A12D4-R8 VanDerWaalsContact O-CB 3.25Å; D4-R8 WeakPolarHBondContact O-CB 3.39Å; D4-R8 PolarHBondContact O-N 3.44Å; E5-R8 WeakPolarHBondContact O-CB 3.34Å; E5-R8 PolarHBondContact O-N 3Å; E5-R8 WeakPolarHBondContact OE1-CD 3.47Å; E5-R8 IonicContact OE2-NE 3.52Å; R8-R11 PolarHBondContact O-N 3Å; R8-A12 WeakPolarHBondContact O-CB 3.41Å; R8-A12 PolarHBondContact O-N 3.25Å
9A86.8Confident85.9Confident54 Ų54111.7 Ų111.745%0.44655%0.547SS..Hα-helixtrans-62.7-44.4176.200000112.8E5 D7 R11 A12 S13E5-A9 WeakPolarHBondContact O-CB 3.34Å; E5-A9 PolarHBondContact O-N 2.9Å; D7-A9 VanDerWaalsContact C-N 3.33Å; A9-R11 PolarHBondContact O-N 3.13Å; A9-A12 PolarHBondContact O-N 2.9Å; A9-S13 WeakPolarHBondContact O-CB 3.4Å; A9-S13 PolarHBondContact O-N 3.4Å
10K89.3Confident86.4Confident106 Ų106112.9 Ų112.946%0.46155%0.549SS..Hα-helixtrans-56.3-49172.9-70.7172-149.9161.20111.7K6 D7 S13 R14K6-K10 WeakPolarHBondContact O-CG 3.45Å; K6-K10 PolarHBondContact O-N 3.39Å; D7-K10 PolarHBondContact O-N 3.42Å; D7-K10 WeakPolarHBondContact OD1-CD 3.44Å; D7-K10 WeakPolarHBondContact OD1-CE 3.36Å; D7-K10 IonicContact OD1-NZ 3.17Å; D7-K10 PolarHBondContact OD1-NZ 3.4Å; K10-S13 PolarHBondContact O-N 3.34Å; K10-R14 PolarHBondContact O-N 2.94Å
11R89.4Confident87Confident126 Ų126115 Ų11548%0.47555%0.551SS.*Hα-helixtrans-63.4-43.4179.7-66.9171.4-150.6130.8-1.8111.6D7 R8 A9 R14 N15D7-R11 VanDerWaalsContact O-CG 3.27Å; D7-R11 WeakPolarHBondContact O-CG 3.3Å; D7-R11 PolarHBondContact O-N 3.22Å; D7-R11 IonicContact OD2-CZ 3.19Å; D7-R11 IonicContact OD2-NE 3.01Å; D7-R11 IonicContact OD2-NH2 3.85Å; D7-R11 PolarHBondContact OD2-NH2 3.01Å; R8-R11 PolarHBondContact O-N 3Å; A9-R11 PolarHBondContact O-N 3.13Å; R11-R14 PolarHBondContact O-N 3.27Å; R11-N15 WeakPolarHBondContact O-CB 3.42Å; R11-N15 PolarHBondContact O-N 2.92Å; R11-N15 PolarHBondContact O-OD1 3.4Å
12A89.9Confident88.9Confident57 Ų57111 Ų11147%0.47152%0.524SS..Hα-helixtrans-62-45.1176.300000112.1R8 A9 N15 K16R8-A12 WeakPolarHBondContact O-CB 3.41Å; R8-A12 PolarHBondContact O-N 3.25Å; A9-A12 PolarHBondContact O-N 2.9Å; A12-N15 PolarHBondContact O-N 3.1Å; A12-K16 WeakPolarHBondContact O-CB 3.2Å; A12-K16 PolarHBondContact O-N 2.95Å
13S93.9Very high90.1Very high82 Ų82108.3 Ų108.357%0.57351%0.509SS*.Hα-helixtrans-60.2-48.3175.7-176.90000112A9 K10 N15 K16 S17A9-S13 WeakPolarHBondContact O-CB 3.4Å; A9-S13 PolarHBondContact O-N 3.4Å; K10-S13 PolarHBondContact O-N 3.34Å; S13-N15 VanDerWaalsContact C-N 3.34Å; S13-N15 PolarHBondContact O-N 2.88Å; S13-K16 PolarHBondContact O-N 3.47Å; S13-S17 PolarHBondContact O-N 2.88Å
14R93.9Very high91.3Very high179 Ų179107.6 Ų107.668%0.67551%0.506SS*.Hα-helixtrans-58.1-45.6176.1-166.2-169.573.3154.13.2111.8K10 R11 S17 E18K10-R14 PolarHBondContact O-N 2.94Å; R11-R14 PolarHBondContact O-N 3.27Å; R14-S17 PolarHBondContact O-N 2.7Å; R14-E18 WeakPolarHBondContact O-CB 3.3Å; R14-E18 PolarHBondContact O-N 3.35Å
15N95.4Very high92.3Very high90 Ų90106.3 Ų106.348%0.48150%0.495SS..Hα-helixtrans-67.5-35180-67.7-2.6000112.1R11 A12 S13 K19R11-N15 WeakPolarHBondContact O-CB 3.42Å; R11-N15 PolarHBondContact O-N 2.92Å; R11-N15 PolarHBondContact O-OD1 3.4Å; A12-N15 PolarHBondContact O-N 3.1Å; S13-N15 VanDerWaalsContact C-N 3.34Å; S13-N15 PolarHBondContact O-N 2.88Å; N15-K19 WeakPolarHBondContact O-CB 3.49Å; N15-K19 PolarHBondContact O-N 2.85Å
16K95.2Very high93Very high171 Ų171104.7 Ų104.774%0.74349%0.489SS*.Hα-helixtrans-66.5-40.8173.5-172.1175-179.2178.70111.8A12 S13 K20A12-K16 WeakPolarHBondContact O-CB 3.2Å; A12-K16 PolarHBondContact O-N 2.95Å; S13-K16 PolarHBondContact O-N 3.47Å; K16-K20 PolarHBondContact O-N 3.16Å
17S95.5Very high93.7Very high68 Ų68104 Ų10448%0.47649%0.494SS..Hα-helixtrans-64.7-48.1174.8-174.30000112.1S13 R14 K19 K20 R21S13-S17 PolarHBondContact O-N 2.88Å; R14-S17 PolarHBondContact O-N 2.7Å; S17-K19 VanDerWaalsContact C-N 3.34Å; S17-K19 PolarHBondContact O-N 3.41Å; S17-K20 WeakPolarHBondContact O-CB 3.28Å; S17-K20 PolarHBondContact O-N 3.24Å; S17-K20 VanDerWaalsContact O-N 3.12Å; S17-R21 WeakPolarHBondContact O-CG 3.45Å; S17-R21 PolarHBondContact O-N 2.93Å
18E96.3Very high94.2Very high67 Ų67106.2 Ų106.231%0.31351%0.505SS..Hα-helixtrans-62.6-39176.7174.552.2-155.700112.2R14 R21 R22R14-E18 WeakPolarHBondContact O-CB 3.3Å; R14-E18 PolarHBondContact O-N 3.35Å; E18-R21 PolarHBondContact O-N 3.45Å; E18-R21 IonicContact OE2-NH1 3.89Å; E18-R21 PolarHBondContact OE2-NH1 3.21Å; E18-R22 WeakPolarHBondContact O-CB 3.31Å; E18-R22 PolarHBondContact O-N 3.39Å; E18-R22 IonicContact OE1-CZ 3.28Å; E18-R22 IonicContact OE1-NE 3.61Å; E18-R22 IonicContact OE1-NH2 2.85Å; E18-R22 PolarHBondContact OE1-NH2 2.67Å
19K96.2Very high94.5Very high122 Ų12299 Ų9953%0.5348%0.479SS..Hα-helixtrans-61.2-46.4170.4174.8160.9170.251.80111.8N15 S17 R21 R22 D23N15-K19 WeakPolarHBondContact O-CB 3.49Å; N15-K19 PolarHBondContact O-N 2.85Å; S17-K19 VanDerWaalsContact C-N 3.34Å; S17-K19 PolarHBondContact O-N 3.41Å; K19-R21 VanDerWaalsContact C-N 3.34Å; K19-R21 PolarHBondContact O-N 2.89Å; K19-R22 PolarHBondContact O-N 3.24Å; K19-R22 VanDerWaalsContact O-N 3.16Å; K19-D23 WeakPolarHBondContact CE-OD2 3.34Å; K19-D23 WeakPolarHBondContact CG-OD2 3.49Å; K19-D23 IonicContact NZ-OD1 2.76Å; K19-D23 PolarHBondContact NZ-OD1 3.09Å; K19-D23 IonicContact NZ-OD2 3.21Å; K19-D23 PolarHBondContact NZ-OD2 3.21Å; K19-D23 WeakPolarHBondContact O-CB 3.46Å; K19-D23 PolarHBondContact O-N 2.65Å
20K96.4Very high94.7Very high135 Ų135104.1 Ų104.159%0.58749%0.491SS*.Hα-helixtrans-56.5-46.4177.7-173.7-177.2178-176.50111.7K16 S17 R22 D23 Q24K16-K20 PolarHBondContact O-N 3.16Å; S17-K20 WeakPolarHBondContact O-CB 3.28Å; S17-K20 PolarHBondContact O-N 3.24Å; S17-K20 VanDerWaalsContact O-N 3.12Å; K20-R22 PolarHBondContact O-N 3.23Å; K20-D23 PolarHBondContact O-N 3.4Å; K20-Q24 WeakPolarHBondContact O-CB 3.22Å; K20-Q24 WeakPolarHBondContact O-CG 3.42Å; K20-Q24 PolarHBondContact O-N 3.13Å
21R97.4Very high94.8Very high158 Ų158104 Ų10460%0.59649%0.492SS*.Hα-helixtrans-61.1-43.3176.7-66.7174.673.4-1348.4112S17 E18 K19 Q24 F25S17-R21 WeakPolarHBondContact O-CG 3.45Å; S17-R21 PolarHBondContact O-N 2.93Å; E18-R21 PolarHBondContact O-N 3.45Å; E18-R21 IonicContact OE2-NH1 3.89Å; E18-R21 PolarHBondContact OE2-NH1 3.21Å; K19-R21 VanDerWaalsContact C-N 3.34Å; K19-R21 PolarHBondContact O-N 2.89Å; R21-Q24 PolarHBondContact O-N 3.43Å; R21-F25 WeakPolarHBondContact O-CB 3.18Å; R21-F25 PolarHBondContact O-N 3.44Å
22R96.9Very high94.9Very high139 Ų139100.6 Ų100.653%0.52548%0.483SS..Hα-helixtrans-66.4-39.4178.7-167.6174.3-58.2-172.92.1112.7E18 K19 K20 F25 N26E18-R22 WeakPolarHBondContact O-CB 3.31Å; E18-R22 PolarHBondContact O-N 3.39Å; E18-R22 IonicContact OE1-CZ 3.28Å; E18-R22 IonicContact OE1-NE 3.61Å; E18-R22 IonicContact OE1-NH2 2.85Å; E18-R22 PolarHBondContact OE1-NH2 2.67Å; K19-R22 PolarHBondContact O-N 3.24Å; K19-R22 VanDerWaalsContact O-N 3.16Å; K20-R22 PolarHBondContact O-N 3.23Å; R22-F25 PolarHBondContact O-N 3.22Å; R22-N26 PolarHBondContact O-N 3.4Å; R22-N26 PolarHBondContact O-ND2 3.26Å; R22-N26 VanDerWaalsContact O-ND2 3.16Å; R22-N26 PolarHBondContact O-OD1 2.98Å
23D96.8Very high94.9Very high61 Ų6198.6 Ų98.633%0.32647%0.465SS..Hα-helixtrans-69-42.1176.4-64.7-26.1000111K19 K20 F25 N26 V27K19-D23 WeakPolarHBondContact CE-OD2 3.34Å; K19-D23 WeakPolarHBondContact CG-OD2 3.49Å; K19-D23 IonicContact NZ-OD1 2.76Å; K19-D23 PolarHBondContact NZ-OD1 3.09Å; K19-D23 IonicContact NZ-OD2 3.21Å; K19-D23 PolarHBondContact NZ-OD2 3.21Å; K19-D23 WeakPolarHBondContact O-CB 3.46Å; K19-D23 PolarHBondContact O-N 2.65Å; K20-D23 PolarHBondContact O-N 3.4Å; D23-F25 PolarHBondContact O-N 2.92Å; D23-N26 WeakPolarHBondContact O-CB 3.34Å; D23-N26 PolarHBondContact O-N 3.41Å; D23-N26 VanDerWaalsContact O-N 3.16Å; D23-V27 PolarHBondContact O-N 2.7Å; D23-V27 VanDerWaalsContact O-N 3.09Å
24Q97Very high94.6Very high102 Ų10299 Ų9948%0.47747%0.468SS..Hα-helixtrans-59.1-45.2171.9-75.2176.1-48.200112K20 R21 N26 V27 L28K20-Q24 WeakPolarHBondContact O-CB 3.22Å; K20-Q24 WeakPolarHBondContact O-CG 3.42Å; K20-Q24 PolarHBondContact O-N 3.13Å; R21-Q24 PolarHBondContact O-N 3.43Å; Q24-N26 VanDerWaalsContact C-N 3.29Å; Q24-N26 PolarHBondContact O-N 3.08Å; Q24-V27 WeakPolarHBondContact O-CB 3.28Å; Q24-V27 PolarHBondContact O-N 3.3Å; Q24-V27 VanDerWaalsContact O-N 3.09Å; Q24-L28 PolarHBondContact O-N 3.37Å
25F97.2Very high94.3Very high95 Ų9596.7 Ų96.742%0.41747%0.467SS..Hα-helixtrans-60.9-36.8174.5179.5-105.5000112.5R21 R22 D23 V27 I29 K45R21-F25 WeakPolarHBondContact O-CB 3.18Å; R21-F25 PolarHBondContact O-N 3.44Å; R22-F25 PolarHBondContact O-N 3.22Å; D23-F25 PolarHBondContact O-N 2.92Å; F25-V27 VanDerWaalsContact C-N 3.31Å; F25-V27 PolarHBondContact O-N 3.22Å; F25-I29 HydrophobicContact CD1-CG1 4.3Å; F25-I29 HydrophobicContact CD2-CG1 4.28Å; F25-I29 HydrophobicContact CE1-CG1 3.95Å; F25-I29 HydrophobicContact CE2-CD1 3.99Å; F25-I29 HydrophobicContact CE2-CG1 3.91Å; F25-I29 HydrophobicContact CG-CG1 4.47Å; F25-I29 HydrophobicContact CZ-CD1 3.85Å; F25-I29 HydrophobicContact CZ-CG1 3.74Å; F25-I29 WeakPolarHBondContact O-CB 3.36Å; F25-I29 VanDerWaalsContact O-CG1 3.26Å; F25-I29 WeakPolarHBondContact O-CG1 3.5Å; F25-I29 PolarHBondContact O-N 3.09Å; F25-K45 HydrophobicContact CE1-CD 4.12Å
26N95.2Very high93.7Very high64 Ų6493.1 Ų93.134%0.34245%0.448SS..Hα-helixtrans-64.5-34.3174-62.4-30000112.5R22 D23 Q24 K30 K45R22-N26 PolarHBondContact O-N 3.4Å; R22-N26 PolarHBondContact O-ND2 3.26Å; R22-N26 VanDerWaalsContact O-ND2 3.16Å; R22-N26 PolarHBondContact O-OD1 2.98Å; D23-N26 WeakPolarHBondContact O-CB 3.34Å; D23-N26 PolarHBondContact O-N 3.41Å; D23-N26 VanDerWaalsContact O-N 3.16Å; Q24-N26 VanDerWaalsContact C-N 3.29Å; Q24-N26 PolarHBondContact O-N 3.08Å; N26-K30 WeakPolarHBondContact O-CB 3.44Å; N26-K30 PolarHBondContact O-N 3.14Å; N26-K45 VanDerWaalsContact OD1-CE 3.28Å; N26-K45 WeakPolarHBondContact OD1-CE 3.24Å; N26-K45 PolarHBondContact OD1-NZ 2.87Å
27V95.6Very high92.7Very high92 Ų9289.7 Ų89.756%0.55844%0.443SS*.Hα-helixtrans-67.8-52.8175.6174.20000110.3D23 Q24 F25 I29 K30 E31D23-V27 PolarHBondContact O-N 2.7Å; D23-V27 VanDerWaalsContact O-N 3.09Å; Q24-V27 WeakPolarHBondContact O-CB 3.28Å; Q24-V27 PolarHBondContact O-N 3.3Å; Q24-V27 VanDerWaalsContact O-N 3.09Å; F25-V27 VanDerWaalsContact C-N 3.31Å; F25-V27 PolarHBondContact O-N 3.22Å; V27-I29 VanDerWaalsContact C-N 3.32Å; V27-I29 PolarHBondContact O-N 3.22Å; V27-K30 WeakPolarHBondContact O-CA 3.23Å; V27-K30 WeakPolarHBondContact O-CB 3.38Å; V27-K30 PolarHBondContact O-N 3.18Å; V27-E31 WeakPolarHBondContact O-CB 3.36Å; V27-E31 PolarHBondContact O-N 3.27Å
28L96.1Very high91.4Very high99 Ų9990.2 Ų90.252%0.51846%0.459SS..Hα-helixtrans-58.7-40.8-179.5-66.8170.8000112.5Q24 K30 E31 L32Q24-L28 PolarHBondContact O-N 3.37Å; L28-K30 VanDerWaalsContact C-N 3.34Å; L28-K30 PolarHBondContact O-N 3.17Å; L28-E31 PolarHBondContact O-N 3.14Å; L28-L32 WeakPolarHBondContact O-CB 3.25Å; L28-L32 WeakPolarHBondContact O-CG 3.41Å; L28-L32 PolarHBondContact O-N 2.96Å
29I94.6Very high90Very high13 Ų1389.4 Ų89.47%0.06746%0.457CS..Hα-helixtrans-66.4-35.3175.1-65.9-70.4000111.7F25 V27 S33 K45 V48 L49F25-I29 HydrophobicContact CD1-CG1 4.3Å; F25-I29 HydrophobicContact CD2-CG1 4.28Å; F25-I29 HydrophobicContact CE1-CG1 3.95Å; F25-I29 HydrophobicContact CE2-CD1 3.99Å; F25-I29 HydrophobicContact CE2-CG1 3.91Å; F25-I29 HydrophobicContact CG-CG1 4.47Å; F25-I29 HydrophobicContact CZ-CD1 3.85Å; F25-I29 HydrophobicContact CZ-CG1 3.74Å; F25-I29 WeakPolarHBondContact O-CB 3.36Å; F25-I29 VanDerWaalsContact O-CG1 3.26Å; F25-I29 WeakPolarHBondContact O-CG1 3.5Å; F25-I29 PolarHBondContact O-N 3.09Å; V27-I29 VanDerWaalsContact C-N 3.32Å; V27-I29 PolarHBondContact O-N 3.22Å; I29-S33 VanDerWaalsContact O-CB 3.24Å; I29-S33 WeakPolarHBondContact O-CB 3.27Å; I29-S33 PolarHBondContact O-N 2.92Å; I29-K45 HydrophobicContact CG2-CB 4.25Å; I29-K45 HydrophobicContact CG2-CG 4.12Å; I29-V48 HydrophobicContact CG2-CB 4.28Å; I29-V48 HydrophobicContact CG2-CG1 4.15Å; I29-L49 HydrophobicContact CD1-CD1 4.06Å; I29-L49 HydrophobicContact CD1-CD2 3.68Å; I29-L49 HydrophobicContact CD1-CG 3.8Å
30K90.4Very high88.4Confident161 Ų16189.7 Ų89.770%0.747%0.469SS*.Hα-helixtrans-68-40.9175.5-172.2-163.4171.8-156.30111.2N26 V27 L28 S33 S34N26-K30 WeakPolarHBondContact O-CB 3.44Å; N26-K30 PolarHBondContact O-N 3.14Å; V27-K30 WeakPolarHBondContact O-CA 3.23Å; V27-K30 WeakPolarHBondContact O-CB 3.38Å; V27-K30 PolarHBondContact O-N 3.18Å; L28-K30 VanDerWaalsContact C-N 3.34Å; L28-K30 PolarHBondContact O-N 3.17Å; K30-S33 WeakPolarHBondContact O-CB 3.45Å; K30-S33 PolarHBondContact O-N 2.98Å; K30-S34 PolarHBondContact O-N 2.86Å; K30-S34 PolarHBondContact O-OG 3.03Å
31E92Very high87.2Confident102 Ų10293.1 Ų93.148%0.47748%0.478SS..Hα-helixtrans-64.8-49.3178.9-173.1173.3-172.600111.8V27 L28 S33 S34 M35V27-E31 WeakPolarHBondContact O-CB 3.36Å; V27-E31 PolarHBondContact O-N 3.27Å; L28-E31 PolarHBondContact O-N 3.14Å; E31-S33 VanDerWaalsContact C-N 3.27Å; E31-S33 PolarHBondContact O-N 3.29Å; E31-S34 WeakPolarHBondContact CA-OG 3.5Å; E31-S34 PolarHBondContact O-N 3.18Å; E31-S34 VanDerWaalsContact O-N 3.09Å; E31-S34 PolarHBondContact O-OG 3.16Å; E31-M35 HydrophobicContact CG-CE 4.42Å; E31-M35 PolarHBondContact O-N 2.92Å
32L91.6Very high86.3Confident55 Ų5595.8 Ų95.829%0.28849%0.494SS..Hα-helixtrans-55.1-41.7168.7-74.8167.7000111.9L28 S34 M35 L36 V48 V52L28-L32 WeakPolarHBondContact O-CB 3.25Å; L28-L32 WeakPolarHBondContact O-CG 3.41Å; L28-L32 PolarHBondContact O-N 2.96Å; L32-S34 VanDerWaalsContact C-N 3.31Å; L32-S34 PolarHBondContact O-N 3.44Å; L32-M35 HydrophobicContact CD2-CE 4.01Å; L32-M35 PolarHBondContact O-N 3.31Å; L32-L36 PolarHBondContact O-N 3.06Å; L32-V48 HydrophobicContact CB-CG1 4.22Å; L32-V52 HydrophobicContact CB-CG2 4.22Å; L32-V52 HydrophobicContact CD2-CG1 4.43Å; L32-V52 HydrophobicContact CD2-CG2 4.25Å
33S89.7Confident85.7Confident15 Ų1591.2 Ų91.211%0.10548%0.479CS..Hα-helixtrans-63.7-32.9177.6-167.60000112.9I29 K30 E31 N39 V48I29-S33 VanDerWaalsContact O-CB 3.24Å; I29-S33 WeakPolarHBondContact O-CB 3.27Å; I29-S33 PolarHBondContact O-N 2.92Å; K30-S33 WeakPolarHBondContact O-CB 3.45Å; K30-S33 PolarHBondContact O-N 2.98Å; E31-S33 VanDerWaalsContact C-N 3.27Å; E31-S33 PolarHBondContact O-N 3.29Å; S33-N39 PolarHBondContact O-ND2 2.69Å; S33-N39 PolarHBondContact OG-ND2 2.86Å; S33-V48 WeakPolarHBondContact OG-CG2 3.26Å
34S86.6Confident85.4Confident91 Ų9192.3 Ų92.364%0.63649%0.485SS*.Hα-helixtrans-77-23.9174.834.70000114.7K30 E31 L32 L36K30-S34 PolarHBondContact O-N 2.86Å; K30-S34 PolarHBondContact O-OG 3.03Å; E31-S34 WeakPolarHBondContact CA-OG 3.5Å; E31-S34 PolarHBondContact O-N 3.18Å; E31-S34 VanDerWaalsContact O-N 3.09Å; E31-S34 PolarHBondContact O-OG 3.16Å; L32-S34 VanDerWaalsContact C-N 3.31Å; L32-S34 PolarHBondContact O-N 3.44Å; S34-L36 VanDerWaalsContact C-N 3.34Å
35M87.5Confident85.2Confident131 Ų13191.7 Ų91.765%0.64548%0.481SS*.Hα-helixtrans-81.2-12.5176-67.4-174-70.900113.5E31 L32E31-M35 HydrophobicContact CG-CE 4.42Å; E31-M35 PolarHBondContact O-N 2.92Å; L32-M35 HydrophobicContact CD2-CE 4.01Å; L32-M35 PolarHBondContact O-N 3.31Å
36L84.1Confident85.1Confident15 Ų1591.1 Ų91.18%0.07949%0.485CS..SBendtrans-74129.7178-75.1172.1000112L32 S34 N39 V48 K51 V52 F55L32-L36 PolarHBondContact O-N 3.06Å; S34-L36 VanDerWaalsContact C-N 3.34Å; L36-N39 PolarHBondContact O-N 3.18Å; L36-V48 HydrophobicContact CD1-CG1 4.43Å; L36-K51 HydrophobicContact CD1-CB 3.62Å; L36-K51 HydrophobicContact CD1-CD 4.32Å; L36-K51 HydrophobicContact CD2-CB 4.07Å; L36-V52 HydrophobicContact CD1-CG2 4.15Å; L36-V52 HydrophobicContact CD2-CG2 3.97Å; L36-V52 HydrophobicContact CG-CG2 4.14Å; L36-F55 HydrophobicContact CD2-CB 4.27Å
37P74.1Confident85Confident99 Ų9990.5 Ų90.564%0.64348%0.484SS*.THydrogen-bonded Turntrans-63.4141.4-177.625.1-34.2000112.5N39 F55P37-N39 VanDerWaalsContact C-N 3.28Å; P37-N39 PolarHBondContact O-N 3.45Å; P37-F55 HydrophobicContact CG-CD2 4.26Å; P37-F55 HydrophobicContact CG-CE2 4.19Å
38G68.8Low84.8Confident79 Ų7986.1 Ų86.181%0.81446%0.457SS*.THydrogen-bonded Turntrans73.29.1177.100000115.6T40G38-T40 PolarHBondContact O-N 2.94Å
39N66.6Low84.7Confident49 Ų4984.7 Ų84.726%0.26245%0.45SS..  trans-77.9122.6-178.3-16916.6000113.1S33 L36 P37 R41S33-N39 PolarHBondContact O-ND2 2.69Å; S33-N39 PolarHBondContact OG-ND2 2.86Å; L36-N39 PolarHBondContact O-N 3.18Å; P37-N39 VanDerWaalsContact C-N 3.28Å; P37-N39 PolarHBondContact O-N 3.45Å; N39-R41 PolarHBondContact OD1-N 3.47Å; N39-R41 PolarHBondContact OD1-O 3.02Å
40T61.1Low84.7Confident128 Ų12889.6 Ų89.679%0.78547%0.472SS*.  trans-127.94.5177.754.10000113.4G38G38-T40 PolarHBondContact O-N 2.94Å
41R72.4Confident84.6Confident207 Ų20786.9 Ų86.978%0.78146%0.461SS*.SBendtrans-137.1155.1-173.9-62.4-170.5-176.9-155.31.1111.8N39 M43N39-R41 PolarHBondContact OD1-N 3.47Å; N39-R41 PolarHBondContact OD1-O 3.02Å; R41-M43 PolarHBondContact O-N 2.98Å; R41-M43 VanDerWaalsContact O-N 3.1Å
42K77.6Confident84.7Confident214 Ų21483.2 Ų83.293%0.9345%0.445SS*.  trans-64.3112.4166.3-79.4-178.4176.1174.70109
43M84.1Confident84.7Confident44 Ų4484.9 Ų84.922%0.21745%0.453CS..  trans-88158.1166.8-67.9177.649.400110R41 T47 V48 K51R41-M43 PolarHBondContact O-N 2.98Å; R41-M43 VanDerWaalsContact O-N 3.1Å; M43-T47 HydrophobicContact CE-CG2 3.59Å; M43-T47 WeakPolarHBondContact CE-O 3.19Å; M43-V48 HydrophobicContact CB-CG2 3.65Å; M43-V48 HydrophobicContact CE-CG2 4.08Å; M43-K51 HydrophobicContact CE-CB 4.5Å; M43-K51 HydrophobicContact CE-CD 3.68Å; M43-K51 HydrophobicContact CE-CG 4.03Å; M43-K51 HydrophobicContact SD-CD 4.09Å
44D91.4Very high84.7Confident83 Ų8385.7 Ų85.744%0.44446%0.464SS..  trans-74.8167.6166.571-78.4000111.1T46 T47 V48D44-T46 VanDerWaalsContact C-N 3.35Å; D44-T46 PolarHBondContact O-N 3.07Å; D44-T46 WeakPolarHBondContact OD2-CA 3.3Å; D44-T46 WeakPolarHBondContact OD2-CB 3.5Å; D44-T46 PolarHBondContact OD2-N 3Å; D44-T47 VanDerWaalsContact CG-OG1 3.29Å; D44-T47 VanDerWaalsContact OD1-CB 3.24Å; D44-T47 WeakPolarHBondContact OD1-CB 3.38Å; D44-T47 PolarHBondContact OD1-OG1 2.84Å; D44-T47 PolarHBondContact OD2-N 3.21Å; D44-T47 PolarHBondContact OD2-OG1 2.79Å; D44-V48 VanDerWaalsContact O-CG2 3.3Å; D44-V48 WeakPolarHBondContact O-CG2 3.45Å; D44-V48 PolarHBondContact O-N 3.08Å; D44-V48 VanDerWaalsContact O-N 3.14Å
45K93.2Very high84.7Confident89 Ų8985.9 Ų85.939%0.38745%0.454SS..Hα-helixtrans-68.3-32.5-173.3-58.3-178.6169.5-174.30113.7F25 N26 I29 L49F25-K45 HydrophobicContact CE1-CD 4.12Å; N26-K45 VanDerWaalsContact OD1-CE 3.28Å; N26-K45 WeakPolarHBondContact OD1-CE 3.24Å; N26-K45 PolarHBondContact OD1-NZ 2.87Å; I29-K45 HydrophobicContact CG2-CB 4.25Å; I29-K45 HydrophobicContact CG2-CG 4.12Å; K45-L49 WeakPolarHBondContact O-CG 3.23Å; K45-L49 PolarHBondContact O-N 2.74Å
46T94.9Very high84.8Confident84 Ų8484 Ų8452%0.51545%0.445SS..Hα-helixtrans-73.8-51.5-177.3-50.80000108.7D44 V48 L49 E50D44-T46 VanDerWaalsContact C-N 3.35Å; D44-T46 PolarHBondContact O-N 3.07Å; D44-T46 WeakPolarHBondContact OD2-CA 3.3Å; D44-T46 WeakPolarHBondContact OD2-CB 3.5Å; D44-T46 PolarHBondContact OD2-N 3Å; T46-V48 PolarHBondContact O-N 2.68Å; T46-L49 PolarHBondContact O-N 2.66Å; T46-E50 HydrophobicContact CG2-CG 4.37Å; T46-E50 WeakPolarHBondContact O-CG 3.4Å; T46-E50 PolarHBondContact O-N 2.91Å
47T91.8Very high84.9Confident50 Ų5089.3 Ų89.331%0.30747%0.47SS..Hα-helixtrans-64.2-27.1178.9-41.10000112.5M43 D44 K51M43-T47 HydrophobicContact CE-CG2 3.59Å; M43-T47 WeakPolarHBondContact CE-O 3.19Å; D44-T47 VanDerWaalsContact CG-OG1 3.29Å; D44-T47 VanDerWaalsContact OD1-CB 3.24Å; D44-T47 WeakPolarHBondContact OD1-CB 3.38Å; D44-T47 PolarHBondContact OD1-OG1 2.84Å; D44-T47 PolarHBondContact OD2-N 3.21Å; D44-T47 PolarHBondContact OD2-OG1 2.79Å; T47-K51 WeakPolarHBondContact O-CB 3.27Å; T47-K51 WeakPolarHBondContact O-CG 3.43Å; T47-K51 PolarHBondContact O-N 3.17Å
48V92.1Very high85.3Confident1 Ų189.8 Ų89.81%0.00646%0.462CS..Hα-helixtrans-64.4-49.8169.5169.90000110.9I29 L32 S33 L36 M43 D44 T46 K51 V52I29-V48 HydrophobicContact CG2-CB 4.28Å; I29-V48 HydrophobicContact CG2-CG1 4.15Å; L32-V48 HydrophobicContact CB-CG1 4.22Å; S33-V48 WeakPolarHBondContact OG-CG2 3.26Å; L36-V48 HydrophobicContact CD1-CG1 4.43Å; M43-V48 HydrophobicContact CB-CG2 3.65Å; M43-V48 HydrophobicContact CE-CG2 4.08Å; D44-V48 VanDerWaalsContact O-CG2 3.3Å; D44-V48 WeakPolarHBondContact O-CG2 3.45Å; D44-V48 PolarHBondContact O-N 3.08Å; D44-V48 VanDerWaalsContact O-N 3.14Å; T46-V48 PolarHBondContact O-N 2.68Å; V48-K51 PolarHBondContact O-N 3.46Å; V48-V52 HydrophobicContact CG1-CG2 4.47Å; V48-V52 WeakPolarHBondContact O-CG2 3.27Å; V48-V52 PolarHBondContact O-N 2.94Å
49L95.1Very high85.6Confident69 Ų6990.6 Ų90.636%0.36144%0.444SS..Hα-helixtrans-64.6-41.4179.2-70.5171000111.8I29 K45 T46 K51 V52 I53I29-L49 HydrophobicContact CD1-CD1 4.06Å; I29-L49 HydrophobicContact CD1-CD2 3.68Å; I29-L49 HydrophobicContact CD1-CG 3.8Å; K45-L49 WeakPolarHBondContact O-CG 3.23Å; K45-L49 PolarHBondContact O-N 2.74Å; T46-L49 PolarHBondContact O-N 2.66Å; L49-K51 PolarHBondContact O-N 2.78Å; L49-V52 PolarHBondContact O-N 3.47Å; L49-I53 WeakPolarHBondContact O-CB 3.44Å; L49-I53 WeakPolarHBondContact O-CD1 3.41Å; L49-I53 VanDerWaalsContact O-CG1 3.25Å; L49-I53 WeakPolarHBondContact O-CG1 3.26Å; L49-I53 PolarHBondContact O-N 3.06Å
50E93.1Very high86.1Confident115 Ų11593.2 Ų93.254%0.53746%0.458SS..Hα-helixtrans-60.6-43.8174.9-69.8170.2165.400111.9T46 I53 G54T46-E50 HydrophobicContact CG2-CG 4.37Å; T46-E50 WeakPolarHBondContact O-CG 3.4Å; T46-E50 PolarHBondContact O-N 2.91Å; E50-I53 PolarHBondContact O-N 2.89Å; E50-G54 PolarHBondContact O-N 2.99Å
51K89.9Confident86.8Confident105 Ų10593.3 Ų93.346%0.45745%0.45SS..Hα-helixtrans-67.5-36.1174.3-78.3-160.2-168.6174.30113.2L36 M43 T47 V48 L49 F55L36-K51 HydrophobicContact CD1-CB 3.62Å; L36-K51 HydrophobicContact CD1-CD 4.32Å; L36-K51 HydrophobicContact CD2-CB 4.07Å; M43-K51 HydrophobicContact CE-CB 4.5Å; M43-K51 HydrophobicContact CE-CD 3.68Å; M43-K51 HydrophobicContact CE-CG 4.03Å; M43-K51 HydrophobicContact SD-CD 4.09Å; T47-K51 WeakPolarHBondContact O-CB 3.27Å; T47-K51 WeakPolarHBondContact O-CG 3.43Å; T47-K51 PolarHBondContact O-N 3.17Å; V48-K51 PolarHBondContact O-N 3.46Å; L49-K51 PolarHBondContact O-N 2.78Å; K51-F55 WeakPolarHBondContact O-CB 3.43Å; K51-F55 PolarHBondContact O-N 3.22Å
52V92.4Very high86.5Confident24 Ų2485.8 Ų85.815%0.14543%0.427CS..Hα-helixtrans-65.6-44.2174.4169.80000110.5L32 L36 V48 L49 F55 L56L32-V52 HydrophobicContact CB-CG2 4.22Å; L32-V52 HydrophobicContact CD2-CG1 4.43Å; L32-V52 HydrophobicContact CD2-CG2 4.25Å; L36-V52 HydrophobicContact CD1-CG2 4.15Å; L36-V52 HydrophobicContact CD2-CG2 3.97Å; L36-V52 HydrophobicContact CG-CG2 4.14Å; V48-V52 HydrophobicContact CG1-CG2 4.47Å; V48-V52 WeakPolarHBondContact O-CG2 3.27Å; V48-V52 PolarHBondContact O-N 2.94Å; L49-V52 PolarHBondContact O-N 3.47Å; V52-F55 PolarHBondContact O-N 2.84Å; V52-L56 HydrophobicContact CG1-CD1 3.86Å; V52-L56 HydrophobicContact CG1-CG 4.41Å; V52-L56 WeakPolarHBondContact O-CB 3.28Å; V52-L56 VanDerWaalsContact O-CG 3.29Å; V52-L56 WeakPolarHBondContact O-CG 3.35Å; V52-L56 PolarHBondContact O-N 3.41Å
53I92.6Very high85.7Confident90 Ų9077.7 Ų77.746%0.46240%0.397SS..Hα-helixtrans-62.2-49.2176.5-69.1163.3000110.4L49 E50 F55 L56 Q57L49-I53 WeakPolarHBondContact O-CB 3.44Å; L49-I53 WeakPolarHBondContact O-CD1 3.41Å; L49-I53 VanDerWaalsContact O-CG1 3.25Å; L49-I53 WeakPolarHBondContact O-CG1 3.26Å; L49-I53 PolarHBondContact O-N 3.06Å; E50-I53 PolarHBondContact O-N 2.89Å; I53-F55 VanDerWaalsContact C-N 3.33Å; I53-F55 PolarHBondContact O-N 2.89Å; I53-L56 PolarHBondContact O-N 3.31Å; I53-Q57 HydrophobicContact CG2-CG 4.37Å; I53-Q57 WeakPolarHBondContact O-CB 3.47Å; I53-Q57 VanDerWaalsContact O-CG 3.27Å; I53-Q57 WeakPolarHBondContact O-CG 3.27Å; I53-Q57 PolarHBondContact O-N 3.22Å
54G88.5Confident84.6Confident32 Ų3278.1 Ų78.133%0.3341%0.408SS..Hα-helixtrans-63.9-34.9177.400000113.5E50 K58E50-G54 PolarHBondContact O-N 2.99Å; G54-K58 VanDerWaalsContact O-CB 3.27Å; G54-K58 WeakPolarHBondContact O-CB 3.24Å; G54-K58 PolarHBondContact O-N 3.38Å
55F88.1Confident82.9Confident96 Ų9679.2 Ų79.242%0.42141%0.41SS..Hα-helixtrans-65.8-48.3173.1176.2-93.4000111.5L36 P37 K51 V52 I53 K58 H59L36-F55 HydrophobicContact CD2-CB 4.27Å; P37-F55 HydrophobicContact CG-CD2 4.26Å; P37-F55 HydrophobicContact CG-CE2 4.19Å; K51-F55 WeakPolarHBondContact O-CB 3.43Å; K51-F55 PolarHBondContact O-N 3.22Å; V52-F55 PolarHBondContact O-N 2.84Å; I53-F55 VanDerWaalsContact C-N 3.33Å; I53-F55 PolarHBondContact O-N 2.89Å; F55-K58 PolarHBondContact O-N 3.3Å; F55-H59 VanDerWaalsContact O-CB 3.24Å; F55-H59 WeakPolarHBondContact O-CB 3.07Å; F55-H59 PolarHBondContact O-N 2.99Å
56L88.4Confident81Confident90 Ų9078.2 Ų78.247%0.47141%0.412SS..Hα-helixtrans-66.3-37.5178.5-69.5171.5000112.1V52 I53 H59 N60V52-L56 HydrophobicContact CG1-CD1 3.86Å; V52-L56 HydrophobicContact CG1-CG 4.41Å; V52-L56 WeakPolarHBondContact O-CB 3.28Å; V52-L56 VanDerWaalsContact O-CG 3.29Å; V52-L56 WeakPolarHBondContact O-CG 3.35Å; V52-L56 PolarHBondContact O-N 3.41Å; I53-L56 PolarHBondContact O-N 3.31Å; L56-H59 PolarHBondContact O-N 3.48Å; L56-N60 WeakPolarHBondContact O-CB 3.32Å; L56-N60 PolarHBondContact O-N 2.76Å; L56-N60 PolarHBondContact O-OD1 2.85Å
57Q86.9Confident78.7Confident128 Ų12878.1 Ų78.160%0.59841%0.405SS*.Hα-helixtrans-63.4-51.3172.9-75.2172.1-20.600111.1I53 H59 N60 E61I53-Q57 HydrophobicContact CG2-CG 4.37Å; I53-Q57 WeakPolarHBondContact O-CB 3.47Å; I53-Q57 VanDerWaalsContact O-CG 3.27Å; I53-Q57 WeakPolarHBondContact O-CG 3.27Å; I53-Q57 PolarHBondContact O-N 3.22Å; Q57-H59 VanDerWaalsContact C-N 3.28Å; Q57-H59 PolarHBondContact O-N 2.93Å; Q57-N60 PolarHBondContact O-N 2.95Å; Q57-E61 WeakPolarHBondContact O-CB 3.4Å; Q57-E61 PolarHBondContact O-N 3.02Å
58K82.6Confident76.7Confident109 Ų10981.5 Ų81.547%0.47442%0.42SS..Hα-helixtrans-62-34.8176.3-174.1172.2179.4177.70111.9G54 F55 E61 V62G54-K58 VanDerWaalsContact O-CB 3.27Å; G54-K58 WeakPolarHBondContact O-CB 3.24Å; G54-K58 PolarHBondContact O-N 3.38Å; F55-K58 PolarHBondContact O-N 3.3Å; K58-E61 CarbonylContact O-C 3.52Å; K58-V62 WeakPolarHBondContact O-CG2 3.35Å; K58-V62 PolarHBondContact O-N 3.1Å
59H75.9Confident74.6Confident95 Ų9585.7 Ų85.744%0.4445%0.449SS..Hα-helixtrans-66.6-48.4175.7-174.4-73.3000111.5F55 L56 Q57 E61 V62 S63F55-H59 VanDerWaalsContact O-CB 3.24Å; F55-H59 WeakPolarHBondContact O-CB 3.07Å; F55-H59 PolarHBondContact O-N 2.99Å; L56-H59 PolarHBondContact O-N 3.48Å; Q57-H59 VanDerWaalsContact C-N 3.28Å; Q57-H59 PolarHBondContact O-N 2.93Å; H59-E61 VanDerWaalsContact C-N 3.27Å; H59-E61 PolarHBondContact O-N 3.26Å; H59-V62 WeakPolarHBondContact O-CA 3.33Å; H59-V62 VanDerWaalsContact O-CB 3.32Å; H59-V62 WeakPolarHBondContact O-CB 3.27Å; H59-V62 PolarHBondContact O-N 3.05Å; H59-S63 PolarHBondContact O-N 2.87Å; H59-S63 PolarHBondContact O-OG 2.97Å
60N75.4Confident72.2Confident104 Ų10489.9 Ų89.956%0.55647%0.471SS*.Hα-helixtrans-64.9-33.4177.5-67.33000111.6L56 Q57 V62 S63 A64L56-N60 WeakPolarHBondContact O-CB 3.32Å; L56-N60 PolarHBondContact O-N 2.76Å; L56-N60 PolarHBondContact O-OD1 2.85Å; Q57-N60 PolarHBondContact O-N 2.95Å; N60-V62 VanDerWaalsContact C-N 3.32Å; N60-S63 PolarHBondContact O-N 3.27Å; N60-A64 VanDerWaalsContact O-CB 3.24Å; N60-A64 WeakPolarHBondContact O-CB 3.49Å; N60-A64 PolarHBondContact O-N 3.24Å
61E75.5Confident70.3Confident130 Ų13089.4 Ų89.461%0.60747%0.471SS*.Hα-helixtrans-75.2-14.8170.7-172-177.6-13700113.3Q57 K58 H59 Q65 K161Q57-E61 WeakPolarHBondContact O-CB 3.4Å; Q57-E61 PolarHBondContact O-N 3.02Å; K58-E61 CarbonylContact O-C 3.52Å; H59-E61 VanDerWaalsContact C-N 3.27Å; H59-E61 PolarHBondContact O-N 3.26Å; E61-Q65 VanDerWaalsContact O-CB 3.23Å; E61-Q65 WeakPolarHBondContact O-CB 3.24Å; E61-K161 PolarHBondContact O-NZ 3.31Å
62V66.6Low68.6Low49 Ų4991.3 Ų91.330%0.29748%0.482SS..Hα-helixtrans-75.3-56.8163.7174.80000108.5K58 H59 N60 A64 Q65 T66K58-V62 WeakPolarHBondContact O-CG2 3.35Å; K58-V62 PolarHBondContact O-N 3.1Å; H59-V62 WeakPolarHBondContact O-CA 3.33Å; H59-V62 VanDerWaalsContact O-CB 3.32Å; H59-V62 WeakPolarHBondContact O-CB 3.27Å; H59-V62 PolarHBondContact O-N 3.05Å; N60-V62 VanDerWaalsContact C-N 3.32Å; V62-A64 PolarHBondContact O-N 2.93Å; V62-Q65 PolarHBondContact O-N 2.94Å; V62-T66 PolarHBondContact O-N 2.96Å; V62-T66 PolarHBondContact O-OG1 2.88Å
63S61.4Low66.8Low44 Ų4496.3 Ų96.331%0.30850%0.504SS..Hα-helixtrans-52.9-54.3179.4-57.60000112.2H59 N60 Q65 T66 E67H59-S63 PolarHBondContact O-N 2.87Å; H59-S63 PolarHBondContact O-OG 2.97Å; N60-S63 PolarHBondContact O-N 3.27Å; S63-Q65 PolarHBondContact O-N 3.42Å; S63-Q65 VanDerWaalsContact O-N 3.1Å; S63-T66 CarbonylContact O-C 3.55Å; S63-T66 PolarHBondContact O-N 3.46Å; S63-E67 VanDerWaalsContact C-OE1 3.29Å; S63-E67 VanDerWaalsContact O-CG 3.27Å; S63-E67 WeakPolarHBondContact O-CG 3.32Å; S63-E67 PolarHBondContact O-N 3.37Å
64A60.8Low65.6Low53 Ų5399.4 Ų99.444%0.43852%0.521SS..Hα-helixtrans-63.8-17.8179.800000114.7N60 V62N60-A64 VanDerWaalsContact O-CB 3.24Å; N60-A64 WeakPolarHBondContact O-CB 3.49Å; N60-A64 PolarHBondContact O-N 3.24Å; V62-A64 PolarHBondContact O-N 2.93Å
65Q56.3Low65Low107 Ų107105.8 Ų105.850%0.554%0.535SS..Hα-helixtrans-90.6-31.7173.7-170.863.765.500111.9E61 V62 S63E61-Q65 VanDerWaalsContact O-CB 3.23Å; E61-Q65 WeakPolarHBondContact O-CB 3.24Å; V62-Q65 PolarHBondContact O-N 2.94Å; S63-Q65 PolarHBondContact O-N 3.42Å; S63-Q65 VanDerWaalsContact O-N 3.1Å
66T52.7Low65Low68 Ų68104 Ų10442%0.41753%0.528SS..Hα-helixtrans-73-29.1171.6-59.20000111.9V62 S63 I68 C69 I71V62-T66 PolarHBondContact O-N 2.96Å; V62-T66 PolarHBondContact O-OG1 2.88Å; S63-T66 CarbonylContact O-C 3.55Å; S63-T66 PolarHBondContact O-N 3.46Å; T66-I68 PolarHBondContact O-N 2.92Å; T66-C69 WeakPolarHBondContact O-CA 3.33Å; T66-C69 PolarHBondContact O-N 3.36Å; T66-I71 HydrophobicContact CG2-CD1 4.26Å
67E47.3Very low64.9Low81 Ų81102.3 Ų102.338%0.37952%0.522SS..THydrogen-bonded Turntrans-60.5-12172.8-76.7157.5-146.500114.2S63 C69 Q73S63-E67 VanDerWaalsContact C-OE1 3.29Å; S63-E67 VanDerWaalsContact O-CG 3.27Å; S63-E67 WeakPolarHBondContact O-CG 3.32Å; S63-E67 PolarHBondContact O-N 3.37Å; E67-C69 VanDerWaalsContact C-N 3.3Å; E67-Q73 HydrophobicContact CG-CG 4.46Å; E67-Q73 PolarHBondContact OE1-NE2 3.4Å; E67-Q73 PolarHBondContact OE2-NE2 3.38Å
68I49.3Very low64.9Low122 Ų122102.1 Ų102.163%0.62654%0.535SS*.THydrogen-bonded Turntrans-80.1-14.4171.7-51.6-168.5000111.5T66T66-I68 PolarHBondContact O-N 2.92Å
69C47.2Very low65.3Low89 Ų89104.7 Ų104.760%0.60155%0.546SS*.THydrogen-bonded Turntrans-109.877176.5-62.70000111.1T66 E67 I71T66-C69 WeakPolarHBondContact O-CA 3.33Å; T66-C69 PolarHBondContact O-N 3.36Å; E67-C69 VanDerWaalsContact C-N 3.3Å; C69-I71 PolarHBondContact O-N 2.79Å
70D45.6Very low65.9Low156 Ų156101.7 Ų101.783%0.83453%0.533SS*.THydrogen-bonded Turntrans55.7-12162.7-63.5-33.2000120.6Q72D70-Q72 PolarHBondContact O-N 3.44Å
71I53.8Low66.6Low105 Ų10599.1 Ų99.154%0.53852%0.523SS..  trans-76.990.3175.3-53.2177.9000109.5T66 C69T66-I71 HydrophobicContact CG2-CD1 4.26Å; C69-I71 PolarHBondContact O-N 2.79Å
72Q52.5Low67.2Low145 Ų14598.4 Ų98.468%0.67852%0.524SS*.  trans-53.4140.6167.7-70-170.7-11.200110.9D70 W75D70-Q72 PolarHBondContact O-N 3.44Å; Q72-W75 PolarHBondContact O-NE1 2.93Å; Q72-W75 VanDerWaalsContact O-NE1 3.15Å
73Q54.6Low68.2Low130 Ų130102.8 Ų102.861%0.60754%0.541SS*.THydrogen-bonded Turntrans-69.9157.1165.3-67.4-175-10.700109.9E67E67-Q73 HydrophobicContact CG-CG 4.46Å; E67-Q73 PolarHBondContact OE1-NE2 3.4Å; E67-Q73 PolarHBondContact OE2-NE2 3.38Å
74D67.6Low69.6Low154 Ų154105.7 Ų105.782%0.82455%0.55SS*.THydrogen-bonded Turntrans72.524.7179.4-61.2-16.8000118.8K76D74-K76 PolarHBondContact O-N 3.29Å
75W76.8Confident71Confident166 Ų166105.1 Ų105.163%0.62954%0.537SS*.SBendtrans-55.9-31.1166-73.5102.2000114.2Q72 F85Q72-W75 PolarHBondContact O-NE1 2.93Å; Q72-W75 VanDerWaalsContact O-NE1 3.15Å; W75-F85 HydrophobicContact CB-CZ 4.22Å; W75-F85 WeakPolarHBondContact O-CE2 3.08Å
76K87.8Confident72.7Confident60 Ų60102.4 Ų102.426%0.26153%0.528SS..SBendtrans-107.4112.5-179.1-171.6-169.377.162.90111D74 L80 N82 F85D74-K76 PolarHBondContact O-N 3.29Å; K76-L80 HydrophobicContact CG-CB 4.46Å; K76-L80 PolarHBondContact NZ-O 2.75Å; K76-N82 VanDerWaalsContact CE-OD1 3.27Å; K76-N82 WeakPolarHBondContact CE-OD1 3.31Å; K76-F85 HydrophobicContact CB-CD1 4Å; K76-F85 HydrophobicContact CB-CD2 3.96Å; K76-F85 HydrophobicContact CB-CE1 3.97Å; K76-F85 HydrophobicContact CB-CE2 3.92Å; K76-F85 HydrophobicContact CB-CG 3.98Å; K76-F85 HydrophobicContact CB-CZ 3.92Å; K76-F85 HydrophobicContact CD-CB 3.68Å; K76-F85 HydrophobicContact CD-CD1 3.91Å; K76-F85 HydrophobicContact CD-CD2 4.46Å; K76-F85 HydrophobicContact CD-CG 3.77Å; K76-F85 HydrophobicContact CG-CB 3.71Å; K76-F85 HydrophobicContact CG-CD1 3.83Å; K76-F85 HydrophobicContact CG-CD2 3.63Å; K76-F85 HydrophobicContact CG-CE1 4.32Å; K76-F85 HydrophobicContact CG-CE2 4.13Å; K76-F85 HydrophobicContact CG-CG 3.44Å; K76-F85 VanDerWaalsContact CG-CG 3.44Å; K76-F85 HydrophobicContact CG-CZ 4.44Å
77P86.7Confident74.4Confident53 Ų53102.8 Ų102.834%0.34453%0.525SS..  trans-52.2148.6169.6-27.434.7000113.5F79 L80P77-F79 HydrophobicContact CB-CD1 3.54Å; P77-F79 HydrophobicContact CB-CE1 3.32Å; P77-F79 HydrophobicContact CB-CG 4.35Å; P77-F79 HydrophobicContact CB-CZ 3.97Å; P77-F79 HydrophobicContact CG-CE1 3.94Å; P77-F79 HydrophobicContact CG-CZ 4.27Å; P77-F79 PolarHBondContact O-N 2.93Å; P77-L80 PolarHBondContact O-N 2.8Å
78S86.6Confident76.5Confident124 Ų124103.6 Ų103.687%0.86753%0.531SS*.THydrogen-bonded Turntrans-71-16.7-179.554.90000114.3
79F90.1Very high78.5Confident164 Ų164101 Ų10172%0.71952%0.518SS*.THydrogen-bonded Turntrans-82.7-20.6176.770.9-99.2000113.8P77P77-F79 HydrophobicContact CB-CD1 3.54Å; P77-F79 HydrophobicContact CB-CE1 3.32Å; P77-F79 HydrophobicContact CB-CG 4.35Å; P77-F79 HydrophobicContact CB-CZ 3.97Å; P77-F79 HydrophobicContact CG-CE1 3.94Å; P77-F79 HydrophobicContact CG-CZ 4.27Å; P77-F79 PolarHBondContact O-N 2.93Å
80L89.4Confident80.6Confident31 Ų3197.3 Ų97.316%0.16249%0.492CS..SBendtrans-84.3136.5173-65.7-180000109.9K76 P77 E84 F85 L88K76-L80 HydrophobicContact CG-CB 4.46Å; K76-L80 PolarHBondContact NZ-O 2.75Å; P77-L80 PolarHBondContact O-N 2.8Å; L80-E84 HydrophobicContact CD2-CB 4.18Å; L80-F85 HydrophobicContact CB-CB 4.42Å; L80-F85 HydrophobicContact CD1-CB 4.35Å; L80-F85 HydrophobicContact CD1-CD2 4.19Å; L80-L88 HydrophobicContact CD1-CD2 4.41Å
81S90Very high82.7Confident51 Ų5193.3 Ų93.336%0.35747%0.468SS..  trans-63.8169.3161.168.80000111.1E83 E84 F85S81-E83 PolarHBondContact O-N 2.96Å; S81-E83 PolarHBondContact OG-N 2.84Å; S81-E84 WeakPolarHBondContact CA-OE2 3.5Å; S81-E84 WeakPolarHBondContact CB-OE2 3.34Å; S81-E84 PolarHBondContact N-OE2 2.79Å; S81-E84 WeakPolarHBondContact OG-CG 3.28Å; S81-E84 PolarHBondContact OG-N 2.81Å; S81-E84 VanDerWaalsContact OG-N 3.15Å; S81-E84 PolarHBondContact OG-OE2 2.93Å; S81-F85 WeakPolarHBondContact O-CB 3.34Å; S81-F85 PolarHBondContact O-N 2.85Å
82N88.5Confident84.5Confident114 Ų11492 Ų9261%0.6147%0.472SS*.Hα-helixtrans-67.4-27.4171.6-68.6-6000111.5K76 T86K76-N82 VanDerWaalsContact CE-OD1 3.27Å; K76-N82 WeakPolarHBondContact CE-OD1 3.31Å; N82-T86 VanDerWaalsContact O-CB 3.26Å; N82-T86 WeakPolarHBondContact O-CB 3.37Å; N82-T86 PolarHBondContact O-N 2.91Å; N82-T86 PolarHBondContact O-OG1 2.91Å
83E88.3Confident86.3Confident141 Ų14187.4 Ų87.466%0.65945%0.452SS*.Hα-helixtrans-72-56.3-178.1-160.859.3-131.700110.7S81 F85 T86 Q87S81-E83 PolarHBondContact O-N 2.96Å; S81-E83 PolarHBondContact OG-N 2.84Å; E83-F85 PolarHBondContact O-N 2.87Å; E83-T86 PolarHBondContact O-N 2.98Å; E83-Q87 PolarHBondContact O-N 2.82Å
84E89.3Confident88.1Confident106 Ų10682.2 Ų82.250%0.49543%0.429SS..Hα-helixtrans-55.4-40.1177-65.8157.2112.300111.8L80 S81 L88L80-E84 HydrophobicContact CD2-CB 4.18Å; S81-E84 WeakPolarHBondContact CA-OE2 3.5Å; S81-E84 WeakPolarHBondContact CB-OE2 3.34Å; S81-E84 PolarHBondContact N-OE2 2.79Å; S81-E84 WeakPolarHBondContact OG-CG 3.28Å; S81-E84 PolarHBondContact OG-N 2.81Å; S81-E84 VanDerWaalsContact OG-N 3.15Å; S81-E84 PolarHBondContact OG-OE2 2.93Å; E84-L88 WeakPolarHBondContact O-CB 3.37Å; E84-L88 PolarHBondContact O-N 3.46Å
85F90.9Very high89.4Confident41 Ų4174.9 Ų74.918%0.1839%0.39CS..Hα-helixtrans-70.7-37.5176.6-178.9-105.2000113.1W75 K76 L80 S81 E83 M89W75-F85 HydrophobicContact CB-CZ 4.22Å; W75-F85 WeakPolarHBondContact O-CE2 3.08Å; K76-F85 HydrophobicContact CB-CD1 4Å; K76-F85 HydrophobicContact CB-CD2 3.96Å; K76-F85 HydrophobicContact CB-CE1 3.97Å; K76-F85 HydrophobicContact CB-CE2 3.92Å; K76-F85 HydrophobicContact CB-CG 3.98Å; K76-F85 HydrophobicContact CB-CZ 3.92Å; K76-F85 HydrophobicContact CD-CB 3.68Å; K76-F85 HydrophobicContact CD-CD1 3.91Å; K76-F85 HydrophobicContact CD-CD2 4.46Å; K76-F85 HydrophobicContact CD-CG 3.77Å; K76-F85 HydrophobicContact CG-CB 3.71Å; K76-F85 HydrophobicContact CG-CD1 3.83Å; K76-F85 HydrophobicContact CG-CD2 3.63Å; K76-F85 HydrophobicContact CG-CE1 4.32Å; K76-F85 HydrophobicContact CG-CE2 4.13Å; K76-F85 HydrophobicContact CG-CG 3.44Å; K76-F85 VanDerWaalsContact CG-CG 3.44Å; K76-F85 HydrophobicContact CG-CZ 4.44Å; L80-F85 HydrophobicContact CB-CB 4.42Å; L80-F85 HydrophobicContact CD1-CB 4.35Å; L80-F85 HydrophobicContact CD1-CD2 4.19Å; S81-F85 WeakPolarHBondContact O-CB 3.34Å; S81-F85 PolarHBondContact O-N 2.85Å; E83-F85 PolarHBondContact O-N 2.87Å; F85-M89 HydrophobicContact CE1-CE 4.08Å; F85-M89 HydrophobicContact CE2-CE 3.95Å; F85-M89 HydrophobicContact CZ-CE 3.45Å; F85-M89 VanDerWaalsContact CZ-CE 3.45Å; F85-M89 WeakPolarHBondContact O-CB 3.46Å; F85-M89 PolarHBondContact O-N 2.83Å
86T90.9Very high90.3Very high49 Ų4967 Ų6730%0.30136%0.36SS..Hα-helixtrans-67.8-45.1177.3-59.80000110.2N82 E83 M89 L90 I97N82-T86 VanDerWaalsContact O-CB 3.26Å; N82-T86 WeakPolarHBondContact O-CB 3.37Å; N82-T86 PolarHBondContact O-N 2.91Å; N82-T86 PolarHBondContact O-OG1 2.91Å; E83-T86 PolarHBondContact O-N 2.98Å; T86-M89 PolarHBondContact O-N 3.49Å; T86-L90 HydrophobicContact CG2-CD1 3.9Å; T86-L90 HydrophobicContact CG2-CG 4.27Å; T86-L90 WeakPolarHBondContact O-CB 3.14Å; T86-L90 VanDerWaalsContact O-CG 3.28Å; T86-L90 WeakPolarHBondContact O-CG 3.35Å; T86-L90 PolarHBondContact O-N 3.46Å; T86-I97 HydrophobicContact CG2-CD1 4.19Å
87Q89.3Confident90.7Very high76 Ų7666.1 Ų66.136%0.35536%0.358SS..Hα-helixtrans-60.3-48.5175.1-177.462.98.200111.6E83 M89 L90 E91E83-Q87 PolarHBondContact O-N 2.82Å; Q87-M89 VanDerWaalsContact C-N 3.32Å; Q87-M89 PolarHBondContact O-N 2.77Å; Q87-L90 PolarHBondContact O-N 2.87Å; Q87-E91 WeakPolarHBondContact O-CB 3.22Å; Q87-E91 PolarHBondContact O-N 2.87Å
88L90.9Very high91.2Very high98 Ų9863.7 Ų63.751%0.51334%0.342SS..Hα-helixtrans-59.8-40.3176.1177.663.1000112.5L80 E84 A92L80-L88 HydrophobicContact CD1-CD2 4.41Å; E84-L88 WeakPolarHBondContact O-CB 3.37Å; E84-L88 PolarHBondContact O-N 3.46Å; L88-A92 VanDerWaalsContact O-CB 3.24Å; L88-A92 WeakPolarHBondContact O-CB 3.45Å; L88-A92 PolarHBondContact O-N 3.1Å
89M91.6Very high91.6Very high68 Ų6858.1 Ų58.134%0.33530%0.303SS..Hα-helixtrans-69.4-44.8178.3-174.663.166.900111.5F85 T86 Q87 E91 A92 L93F85-M89 HydrophobicContact CE1-CE 4.08Å; F85-M89 HydrophobicContact CE2-CE 3.95Å; F85-M89 HydrophobicContact CZ-CE 3.45Å; F85-M89 VanDerWaalsContact CZ-CE 3.45Å; F85-M89 WeakPolarHBondContact O-CB 3.46Å; F85-M89 PolarHBondContact O-N 2.83Å; T86-M89 PolarHBondContact O-N 3.49Å; Q87-M89 VanDerWaalsContact C-N 3.32Å; Q87-M89 PolarHBondContact O-N 2.77Å; M89-E91 VanDerWaalsContact C-N 3.35Å; M89-A92 PolarHBondContact O-N 3.05Å; M89-L93 HydrophobicContact CG-CD1 3.72Å; M89-L93 HydrophobicContact CG-CG 4.26Å; M89-L93 VanDerWaalsContact O-CB 3.22Å; M89-L93 WeakPolarHBondContact O-CB 3.39Å; M89-L93 WeakPolarHBondContact O-CG 3.33Å; M89-L93 PolarHBondContact O-N 3.17Å; M89-L93 HydrophobicContact SD-CD1 3.71Å; M89-L93 HydrophobicContact SD-CD2 4.44Å; M89-L93 HydrophobicContact SD-CG 3.91Å
90L92.1Very high91.8Very high11 Ų1150.3 Ų50.36%0.05827%0.269CS..Hα-helixtrans-64.7-38.9177.1-71.1176.6000111.7T86 Q87 L93 D94 G95 I97 T229T86-L90 HydrophobicContact CG2-CD1 3.9Å; T86-L90 HydrophobicContact CG2-CG 4.27Å; T86-L90 WeakPolarHBondContact O-CB 3.14Å; T86-L90 VanDerWaalsContact O-CG 3.28Å; T86-L90 WeakPolarHBondContact O-CG 3.35Å; T86-L90 PolarHBondContact O-N 3.46Å; Q87-L90 PolarHBondContact O-N 2.87Å; L90-L93 PolarHBondContact O-N 2.99Å; L90-D94 PolarHBondContact O-N 3.1Å; L90-G95 PolarHBondContact O-N 3.03Å; L90-I97 HydrophobicContact CD1-CD1 4.12Å; L90-I97 HydrophobicContact CD1-CG1 4.04Å; L90-I97 HydrophobicContact CD2-CG1 4.03Å; L90-T229 HydrophobicContact CD2-CG2 3.93Å
91E90Very high91.9Very high73 Ų7349 Ų4934%0.34126%0.262SS..Hα-helixtrans-64.9-45.7172.6-174169.8-162.200111.7Q87 M89 L93 D94 K239 Q322Q87-E91 WeakPolarHBondContact O-CB 3.22Å; Q87-E91 PolarHBondContact O-N 2.87Å; M89-E91 VanDerWaalsContact C-N 3.35Å; E91-L93 VanDerWaalsContact C-N 3.28Å; E91-L93 PolarHBondContact O-N 3.28Å; E91-D94 PolarHBondContact O-N 3.16Å; E91-K239 PolarHBondContact O-NZ 2.99Å; E91-Q322 PolarHBondContact OE1-NE2 3.16Å
92A90.1Very high91.9Very high76 Ų7647.8 Ų47.863%0.62825%0.253SS*.Hα-helixtrans-71-18.8179.700000114.5L88 M89L88-A92 VanDerWaalsContact O-CB 3.24Å; L88-A92 WeakPolarHBondContact O-CB 3.45Å; L88-A92 PolarHBondContact O-N 3.1Å; M89-A92 PolarHBondContact O-N 3.05Å
93L91.1Very high91.9Very high49 Ų4945.6 Ų45.626%0.25724%0.241SC..THydrogen-bonded Turntrans-99.2-1.4-179.4-70.6-178.3000114.3M89 L90 E91 G95 R231M89-L93 HydrophobicContact CG-CD1 3.72Å; M89-L93 HydrophobicContact CG-CG 4.26Å; M89-L93 VanDerWaalsContact O-CB 3.22Å; M89-L93 WeakPolarHBondContact O-CB 3.39Å; M89-L93 WeakPolarHBondContact O-CG 3.33Å; M89-L93 PolarHBondContact O-N 3.17Å; M89-L93 HydrophobicContact SD-CD1 3.71Å; M89-L93 HydrophobicContact SD-CD2 4.44Å; M89-L93 HydrophobicContact SD-CG 3.91Å; L90-L93 PolarHBondContact O-N 2.99Å; E91-L93 VanDerWaalsContact C-N 3.28Å; E91-L93 PolarHBondContact O-N 3.28Å; L93-G95 VanDerWaalsContact C-N 3.35Å; L93-R231 HydrophobicContact CB-CG 4.47Å; L93-R231 PolarHBondContact O-NE 3.1Å; L93-R231 PolarHBondContact O-NH2 2.96Å
94D92.8Very high92Very high22 Ų2238.9 Ų38.912%0.11821%0.21CC..THydrogen-bonded Turntrans52.150.2-169.1-62.7-28.4000112.1L90 E91 L116 R231 L232 P235 Q236 K239L90-D94 PolarHBondContact O-N 3.1Å; E91-D94 PolarHBondContact O-N 3.16Å; D94-L116 HydrophobicContact CB-CD2 4.26Å; D94-R231 WeakPolarHBondContact O-CA 3.39Å; D94-L232 HydrophobicContact CB-CB 4.34Å; D94-L232 PolarHBondContact O-N 3.22Å; D94-P235 WeakPolarHBondContact OD2-CA 3.48Å; D94-P235 WeakPolarHBondContact OD2-CB 3.04Å; D94-Q236 PolarHBondContact OD2-N 3.34Å; D94-K239 WeakPolarHBondContact OD1-CE 3.49Å; D94-K239 IonicContact OD1-NZ 2.66Å; D94-K239 PolarHBondContact OD1-NZ 3.32Å
95G94.5Very high92.2Very high0 Ų035.7 Ų35.70%020%0.199CC..EExtended strand (participates in β ladder)trans-135.9166.4-168.100000117.5L90 L93 S112 L116 V230L90-G95 PolarHBondContact O-N 3.03Å; L93-G95 VanDerWaalsContact C-N 3.35Å; G95-S112 PolarHBondContact O-OG 3.33Å; G95-S112 VanDerWaalsContact O-OG 3.13Å; G95-L116 VanDerWaalsContact C-CD1 3.48Å; G95-L116 WeakPolarHBondContact O-CD1 3.39Å; G95-V230 CarbonylContact C-O 3.54Å; G95-V230 WeakPolarHBondContact CA-O 3.23Å
96F95.8Very high92.4Very high0 Ų033.8 Ų33.80%019%0.19CC..EExtended strand (participates in β ladder)trans-143.2154.817664-89.9000110I98 V109 S110 S112 I113 L116 L117 L172 V230F96-I98 HydrophobicContact CD2-CB 4.5Å; F96-I98 HydrophobicContact CE2-CB 4.29Å; 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 3.41Å; F96-S110 WeakPolarHBondContact CB-OG 3.45Å; F96-S112 VanDerWaalsContact CA-OG 3.31Å; F96-S112 WeakPolarHBondContact CA-OG 3.08Å; F96-S112 WeakPolarHBondContact CB-OG 3.16Å; F96-I113 HydrophobicContact CB-CB 4.42Å; F96-I113 HydrophobicContact CD1-CB 4.41Å; F96-I113 HydrophobicContact CD1-CG1 4.46Å; F96-I113 HydrophobicContact CD2-CB 4.07Å; F96-I113 HydrophobicContact CD2-CD1 4.36Å; F96-I113 HydrophobicContact CD2-CG1 4.34Å; F96-I113 HydrophobicContact CE1-CG1 4.29Å; F96-I113 HydrophobicContact CE2-CB 4.39Å; F96-I113 HydrophobicContact CE2-CD1 3.84Å; F96-I113 HydrophobicContact CE2-CG1 4.16Å; F96-I113 HydrophobicContact CG-CB 4.07Å; F96-I113 HydrophobicContact CG-CG1 4.48Å; F96-I113 HydrophobicContact CZ-CD1 3.98Å; F96-I113 HydrophobicContact CZ-CG1 4.12Å; F96-L116 HydrophobicContact CB-CD1 4.48Å; F96-L116 HydrophobicContact CD1-CD1 3.97Å; F96-L117 HydrophobicContact CE1-CD1 3.65Å; F96-L117 HydrophobicContact CE1-CG 4.38Å; F96-L117 HydrophobicContact CZ-CD1 3.84Å; F96-L172 HydrophobicContact CZ-CD2 3.99Å; F96-V230 HydrophobicContact CD1-CB 3.99Å; F96-V230 HydrophobicContact CD1-CG1 4.15Å; F96-V230 HydrophobicContact CD2-CB 4.09Å; F96-V230 HydrophobicContact CD2-CG2 4.23Å; F96-V230 HydrophobicContact CE1-CB 3.69Å; F96-V230 HydrophobicContact CE1-CG1 3.44Å; F96-V230 VanDerWaalsContact CE1-CG1 3.44Å; F96-V230 HydrophobicContact CE1-CG2 4.44Å; F96-V230 HydrophobicContact CE2-CB 3.79Å; F96-V230 HydrophobicContact CE2-CG1 4.2Å; F96-V230 HydrophobicContact CE2-CG2 3.71Å; F96-V230 HydrophobicContact CG-CB 4.19Å; F96-V230 HydrophobicContact CZ-CB 3.6Å; F96-V230 HydrophobicContact CZ-CG1 3.48Å; F96-V230 VanDerWaalsContact CZ-CG1 3.48Å; F96-V230 HydrophobicContact CZ-CG2 3.84Å; F96-V230 PolarHBondContact N-O 2.87Å; F96-V230 PolarHBondContact O-N 3.5Å
97I96.2Very high92.6Very high42 Ų4234.9 Ų34.922%0.21519%0.194CC..EExtended strand (participates in β ladder)trans-91.3138.5176.4-60.2174.3000108.2T86 L90 Y108 V109 S110 A228T86-I97 HydrophobicContact CG2-CD1 4.19Å; L90-I97 HydrophobicContact CD1-CD1 4.12Å; L90-I97 HydrophobicContact CD1-CG1 4.04Å; L90-I97 HydrophobicContact CD2-CG1 4.03Å; I97-Y108 HydrophobicContact CB-CE1 4.12Å; I97-Y108 HydrophobicContact CG2-CD1 4.26Å; I97-Y108 HydrophobicContact CG2-CE1 3.87Å; I97-V109 CarbonylContact O-C 3.49Å; I97-V109 VanDerWaalsContact O-CA 3.32Å; I97-V109 WeakPolarHBondContact O-CA 3.15Å; I97-S110 PolarHBondContact N-OG 2.99Å; I97-S110 PolarHBondContact O-N 3.28Å; I97-A228 WeakPolarHBondContact CA-O 3.28Å
98I97.1Very high92.9Very high2 Ų236.3 Ų36.31%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-133.8146.9172.7-161.2176.2000110F96 V100 I106 Y108 V109 L129 F190 A228 V230F96-I98 HydrophobicContact CD2-CB 4.5Å; F96-I98 HydrophobicContact CE2-CB 4.29Å; F96-I98 HydrophobicContact CE2-CD1 4.48Å; I98-V100 HydrophobicContact CD1-CG2 3.78Å; I98-V100 HydrophobicContact CG1-CG2 3.83Å; I98-V100 HydrophobicContact CG2-CG2 4.32Å; I98-I106 HydrophobicContact CD1-CD1 4.13Å; I98-I106 HydrophobicContact CD1-CG1 4.23Å; I98-I106 HydrophobicContact CD1-CG2 4.08Å; I98-I106 HydrophobicContact CG1-CG2 3.9Å; I98-Y108 WeakPolarHBondContact CA-O 3.41Å; I98-Y108 WeakPolarHBondContact CG1-O 3.49Å; I98-V109 HydrophobicContact CG1-CB 4.46Å; I98-V109 HydrophobicContact CG1-CG2 4.36Å; I98-L129 HydrophobicContact CD1-CD1 4.39Å; I98-F190 HydrophobicContact CG2-CD1 4.22Å; I98-F190 HydrophobicContact CG2-CE1 3.86Å; I98-A228 HydrophobicContact CG2-CB 4.27Å; I98-A228 PolarHBondContact N-O 3.41Å; I98-A228 PolarHBondContact O-N 3.43Å; I98-V230 HydrophobicContact CB-CG2 4.25Å; I98-V230 HydrophobicContact CG2-CG2 3.53Å
99A95.1Very high93.2Very high6 Ų631.8 Ų31.85%0.0517%0.173CC..EExtended strand (participates in β ladder)trans-125.912816600000110.2I107 Y108 F226 I227A99-I107 HydrophobicContact CB-CD1 4.25Å; A99-I107 HydrophobicContact CB-CG1 3.87Å; A99-I107 WeakPolarHBondContact O-CG1 3.49Å; A99-I107 PolarHBondContact O-N 3.42Å; A99-Y108 PolarHBondContact N-O 2.79Å; A99-Y108 PolarHBondContact O-N 3.09Å; A99-F226 WeakPolarHBondContact CA-O 3.4Å; A99-I227 HydrophobicContact CB-CG1 4.01Å
100V94.4Very high93.3Very high0 Ų029 Ų290%016%0.16CC..EExtended strand (participates in β ladder)trans-131.1134.6-172.5-167.60000109.4I98 G104 S105 I106 L129 L145 C225 F226I98-V100 HydrophobicContact CD1-CG2 3.78Å; I98-V100 HydrophobicContact CG1-CG2 3.83Å; I98-V100 HydrophobicContact CG2-CG2 4.32Å; V100-G104 VanDerWaalsContact CG1-C 3.44Å; V100-G104 WeakPolarHBondContact CG1-O 3.43Å; V100-S105 CarbonylContact C-O 3.48Å; V100-S105 WeakPolarHBondContact CA-O 3.45Å; V100-I106 HydrophobicContact CG1-CG1 4.48Å; V100-I106 HydrophobicContact CG2-CG1 4.25Å; V100-L129 HydrophobicContact CG1-CB 4.23Å; V100-L129 HydrophobicContact CG1-CD2 4.42Å; V100-L145 HydrophobicContact CG1-CD1 4.24Å; V100-C225 CarbonylContact O-C 3.44Å; V100-C225 WeakPolarHBondContact O-CA 3.41Å; V100-C225 WeakPolarHBondContact O-CB 3.27Å; V100-F226 PolarHBondContact N-O 2.97Å; V100-F226 PolarHBondContact O-N 2.92Å
101T91.6Very high93.3Very high4 Ų432.7 Ų32.73%0.02518%0.18CC..EExtended strand (participates in β ladder)trans-74.2166.7175.559.40000111.9D103 G104 S105 I107T101-D103 WeakPolarHBondContact CB-OD1 3.34Å; T101-D103 PolarHBondContact O-N 3.26Å; T101-D103 PolarHBondContact OG1-OD1 2.82Å; T101-D103 PolarHBondContact OG1-OD2 2.6Å; T101-G104 PolarHBondContact O-N 2.61Å; T101-S105 PolarHBondContact N-O 2.93Å; T101-S105 WeakPolarHBondContact OG1-CB 3.33Å; T101-S105 PolarHBondContact OG1-N 2.89Å; T101-S105 VanDerWaalsContact OG1-N 3.09Å; T101-S105 PolarHBondContact OG1-O 3.22Å; T101-I107 HydrophobicContact CG2-CD1 4.45Å; T101-I107 HydrophobicContact CG2-CG2 3.79Å
102T89Confident93.4Very high26 Ų2629.7 Ų29.716%0.1617%0.167CC..THydrogen-bonded Turntrans-66.4-16.2-18047.20000115M149 F194 V224T102-M149 HydrophobicContact CG2-CE 4Å; T102-M149 HydrophobicContact CG2-CG 4.18Å; T102-M149 HydrophobicContact CG2-SD 4.16Å; T102-F194 HydrophobicContact CG2-CE1 4.35Å; T102-V224 HydrophobicContact CG2-CB 4.31Å; T102-V224 HydrophobicContact CG2-CG1 4.49Å; T102-V224 PolarHBondContact N-O 3.29Å
103D88.4Confident93.5Very high68 Ų6826.2 Ų26.236%0.36414%0.138SC..THydrogen-bonded Turntrans-87-6.9169.359.1-75.3000113.6T101 S105 N128T101-D103 WeakPolarHBondContact CB-OD1 3.34Å; T101-D103 PolarHBondContact O-N 3.26Å; T101-D103 PolarHBondContact OG1-OD1 2.82Å; T101-D103 PolarHBondContact OG1-OD2 2.6Å; D103-S105 WeakPolarHBondContact OD2-CB 3.43Å; D103-S105 PolarHBondContact OD2-N 3.34Å; D103-S105 PolarHBondContact OD2-OG 3.13Å; D103-N128 PolarHBondContact O-ND2 3.09Å
104G90.5Very high93.6Very high0 Ų024.2 Ų24.20%013%0.128CC..SBendtrans99.21.8177.400000115.5V100 T101 N128 L129V100-G104 VanDerWaalsContact CG1-C 3.44Å; V100-G104 WeakPolarHBondContact CG1-O 3.43Å; T101-G104 PolarHBondContact O-N 2.61Å; G104-N128 VanDerWaalsContact C-ND2 3.34Å; G104-N128 CarbonylContact O-C 3.53Å; G104-N128 WeakPolarHBondContact O-CA 3.3Å; G104-L129 WeakPolarHBondContact O-CB 3.35Å; G104-L129 PolarHBondContact O-N 3.34Å
105S93.8Very high93.4Very high38 Ų3824.6 Ų24.627%0.26613%0.131SC..BIsolated β-bridgetrans-75.2130.2-179.9-57.10000111.9V100 T101 D103 I107V100-S105 CarbonylContact C-O 3.48Å; V100-S105 WeakPolarHBondContact CA-O 3.45Å; T101-S105 PolarHBondContact N-O 2.93Å; T101-S105 WeakPolarHBondContact OG1-CB 3.33Å; T101-S105 PolarHBondContact OG1-N 2.89Å; T101-S105 VanDerWaalsContact OG1-N 3.09Å; T101-S105 PolarHBondContact OG1-O 3.22Å; D103-S105 WeakPolarHBondContact OD2-CB 3.43Å; D103-S105 PolarHBondContact OD2-N 3.34Å; D103-S105 PolarHBondContact OD2-OG 3.13Å; S105-I107 PolarHBondContact O-N 2.98Å
106I96.3Very high93.3Very high1 Ų124.8 Ų24.81%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-85.8111.9-177.1-57.1170.2000109.4I98 V100 V124 D126 Q127 L129 F132I98-I106 HydrophobicContact CD1-CD1 4.13Å; I98-I106 HydrophobicContact CD1-CG1 4.23Å; I98-I106 HydrophobicContact CD1-CG2 4.08Å; I98-I106 HydrophobicContact CG1-CG2 3.9Å; V100-I106 HydrophobicContact CG1-CG1 4.48Å; V100-I106 HydrophobicContact CG2-CG1 4.25Å; I106-V124 HydrophobicContact CD1-CG1 3.61Å; I106-V124 HydrophobicContact CG2-CG1 4.36Å; I106-D126 PolarHBondContact O-N 3.09Å; I106-Q127 PolarHBondContact N-O 3.5Å; I106-L129 HydrophobicContact CD1-CB 4.31Å; I106-L129 HydrophobicContact CD1-CD1 4.21Å; I106-L129 HydrophobicContact CG1-CB 4.24Å; I106-F132 HydrophobicContact CD1-CD2 4.24Å; I106-F132 HydrophobicContact CD1-CE2 4.03Å
107I94.6Very high93.1Very high72 Ų7224.8 Ų24.837%0.36913%0.132SC..EExtended strand (participates in β ladder)trans-99.1-12.4-176.757.2166.7000113.7A99 T101 S105 C225A99-I107 HydrophobicContact CB-CD1 4.25Å; A99-I107 HydrophobicContact CB-CG1 3.87Å; A99-I107 WeakPolarHBondContact O-CG1 3.49Å; A99-I107 PolarHBondContact O-N 3.42Å; T101-I107 HydrophobicContact CG2-CD1 4.45Å; T101-I107 HydrophobicContact CG2-CG2 3.79Å; S105-I107 PolarHBondContact O-N 2.98Å; I107-C225 HydrophobicContact CD1-CB 3.83Å
108Y95.8Very high92.9Very high106 Ų10623.1 Ų23.142%0.41613%0.126SC..EExtended strand (participates in β ladder)trans-159.5144.9172.6172.1-100000110.5I97 I98 A99 S110I97-Y108 HydrophobicContact CB-CE1 4.12Å; I97-Y108 HydrophobicContact CG2-CD1 4.26Å; I97-Y108 HydrophobicContact CG2-CE1 3.87Å; I98-Y108 WeakPolarHBondContact CA-O 3.41Å; I98-Y108 WeakPolarHBondContact CG1-O 3.49Å; A99-Y108 PolarHBondContact N-O 2.79Å; A99-Y108 PolarHBondContact O-N 3.09Å; Y108-S110 WeakPolarHBondContact OH-CB 3.24Å
109V96.4Very high92.7Very high4 Ų423.8 Ų23.82%0.02413%0.129CC..EExtended strand (participates in β ladder)trans-146142166.270.50000109.3F96 I97 I98 I113 P121 V124 M125F96-V109 HydrophobicContact CD2-CG2 3.7Å; F96-V109 HydrophobicContact CE2-CG2 3.95Å; I97-V109 CarbonylContact O-C 3.49Å; I97-V109 VanDerWaalsContact O-CA 3.32Å; I97-V109 WeakPolarHBondContact O-CA 3.15Å; I98-V109 HydrophobicContact CG1-CB 4.46Å; I98-V109 HydrophobicContact CG1-CG2 4.36Å; V109-I113 HydrophobicContact CG1-CG2 4.26Å; V109-I113 HydrophobicContact CG2-CB 3.92Å; V109-I113 HydrophobicContact CG2-CD1 3.79Å; V109-I113 HydrophobicContact CG2-CG1 4.43Å; V109-I113 HydrophobicContact CG2-CG2 3.92Å; V109-P121 HydrophobicContact CG1-CB 3.8Å; V109-P121 HydrophobicContact CG1-CG 4.43Å; V109-V124 HydrophobicContact CG1-CB 4.31Å; V109-V124 HydrophobicContact CG1-CG1 4.32Å; V109-M125 HydrophobicContact CG1-CG 4.17Å
110S94.6Very high92.6Very high9 Ų924.8 Ų24.86%0.06313%0.133CC..  trans-80.7149.8176.964.60000112.3F96 I97 Y108 S112 I113F96-S110 WeakPolarHBondContact CA-OG 3.41Å; F96-S110 WeakPolarHBondContact CB-OG 3.45Å; I97-S110 PolarHBondContact N-OG 2.99Å; I97-S110 PolarHBondContact O-N 3.28Å; Y108-S110 WeakPolarHBondContact OH-CB 3.24Å; S110-S112 PolarHBondContact O-N 3.48Å; S110-S112 PolarHBondContact OG-OG 3.15Å; S110-I113 WeakPolarHBondContact O-CG2 3.27Å; S110-I113 PolarHBondContact O-N 2.81Å
111D90.9Very high92.6Very high88 Ų8825.5 Ų25.547%0.47114%0.138SC..THydrogen-bonded Turntrans-56.5-22.8-176.4-56.9-88.3000114.4I113 T114 P115 I243D111-I113 PolarHBondContact O-N 3.31Å; D111-I113 VanDerWaalsContact O-N 3.13Å; D111-T114 VanDerWaalsContact O-CB 3.28Å; D111-T114 WeakPolarHBondContact O-CB 3.15Å; D111-T114 PolarHBondContact O-N 2.92Å; D111-T114 PolarHBondContact O-OG1 3.5Å; D111-P115 WeakPolarHBondContact O-CD 3.43Å; D111-I243 HydrophobicContact CB-CD1 4.17Å; D111-I243 HydrophobicContact CB-CG1 4.26Å
112S91.9Very high92.7Very high10 Ų1029.1 Ų29.17%0.0716%0.163CC..THydrogen-bonded Turntrans-62.5-9.1172.662.30000115G95 F96 S110 T114 P115 L116G95-S112 PolarHBondContact O-OG 3.33Å; G95-S112 VanDerWaalsContact O-OG 3.13Å; F96-S112 VanDerWaalsContact CA-OG 3.31Å; F96-S112 WeakPolarHBondContact CA-OG 3.08Å; F96-S112 WeakPolarHBondContact CB-OG 3.16Å; S110-S112 PolarHBondContact O-N 3.48Å; S110-S112 PolarHBondContact OG-OG 3.15Å; S112-T114 PolarHBondContact O-N 2.93Å; S112-P115 VanDerWaalsContact O-CD 3.3Å; S112-P115 WeakPolarHBondContact O-CD 3.42Å; S112-P115 WeakPolarHBondContact O-CG 3.45Å; S112-L116 WeakPolarHBondContact O-CD1 3.5Å; S112-L116 WeakPolarHBondContact O-CG 3.22Å
113I93.6Very high92.9Very high3 Ų330.5 Ų30.52%0.01517%0.169CC..Hα-helixtrans-61.6-33164.5-169.1167.3000112.1F96 V109 S110 D111 L116 L117 P121 V124F96-I113 HydrophobicContact CB-CB 4.42Å; F96-I113 HydrophobicContact CD1-CB 4.41Å; F96-I113 HydrophobicContact CD1-CG1 4.46Å; F96-I113 HydrophobicContact CD2-CB 4.07Å; F96-I113 HydrophobicContact CD2-CD1 4.36Å; F96-I113 HydrophobicContact CD2-CG1 4.34Å; F96-I113 HydrophobicContact CE1-CG1 4.29Å; F96-I113 HydrophobicContact CE2-CB 4.39Å; F96-I113 HydrophobicContact CE2-CD1 3.84Å; F96-I113 HydrophobicContact CE2-CG1 4.16Å; F96-I113 HydrophobicContact CG-CB 4.07Å; F96-I113 HydrophobicContact CG-CG1 4.48Å; F96-I113 HydrophobicContact CZ-CD1 3.98Å; F96-I113 HydrophobicContact CZ-CG1 4.12Å; V109-I113 HydrophobicContact CG1-CG2 4.26Å; V109-I113 HydrophobicContact CG2-CB 3.92Å; V109-I113 HydrophobicContact CG2-CD1 3.79Å; V109-I113 HydrophobicContact CG2-CG1 4.43Å; V109-I113 HydrophobicContact CG2-CG2 3.92Å; S110-I113 WeakPolarHBondContact O-CG2 3.27Å; S110-I113 PolarHBondContact O-N 2.81Å; D111-I113 PolarHBondContact O-N 3.31Å; D111-I113 VanDerWaalsContact O-N 3.13Å; I113-L116 PolarHBondContact O-N 2.9Å; I113-L117 HydrophobicContact CD1-CD1 4.44Å; I113-L117 HydrophobicContact CG1-CB 4.23Å; I113-L117 HydrophobicContact CG1-CD1 4.15Å; I113-L117 PolarHBondContact O-N 3.43Å; I113-P121 HydrophobicContact CG2-CG 4.21Å; I113-V124 HydrophobicContact CD1-CG1 4.17Å; I113-V124 HydrophobicContact CD1-CG2 4.18Å
114T92.2Very high93.2Very high8 Ų827.4 Ų27.45%0.04915%0.153CC..Hα-helixtrans-60.4-55.5-177.2-37.40000113.1D111 S112 L116 G118 H119 L120 C242 Y353D111-T114 VanDerWaalsContact O-CB 3.28Å; D111-T114 WeakPolarHBondContact O-CB 3.15Å; D111-T114 PolarHBondContact O-N 2.92Å; D111-T114 PolarHBondContact O-OG1 3.5Å; S112-T114 PolarHBondContact O-N 2.93Å; T114-L116 VanDerWaalsContact C-N 3.33Å; T114-L116 PolarHBondContact O-N 2.87Å; T114-G118 VanDerWaalsContact O-CA 3.22Å; T114-G118 WeakPolarHBondContact O-CA 3.4Å; T114-G118 PolarHBondContact O-N 3.31Å; T114-H119 WeakPolarHBondContact CA-O 3.22Å; T114-H119 PolarHBondContact N-O 2.84Å; T114-H119 PolarHBondContact OG1-O 3.43Å; T114-L120 HydrophobicContact CG2-CD2 3.94Å; T114-C242 HydrophobicContact CG2-CB 3.8Å; T114-Y353 HydrophobicContact CG2-CD1 3.22Å; T114-Y353 HydrophobicContact CG2-CE1 3.66Å; T114-Y353 HydrophobicContact CG2-CG 4.07Å
115P89.4Confident93.4Very high29 Ų2930.9 Ų30.919%0.18817%0.17CC..Hα-helixtrans-70.4-26.9179.930.3-40000113.8D111 S112 E240D111-P115 WeakPolarHBondContact O-CD 3.43Å; S112-P115 VanDerWaalsContact O-CD 3.3Å; S112-P115 WeakPolarHBondContact O-CD 3.42Å; S112-P115 WeakPolarHBondContact O-CG 3.45Å; P115-E240 WeakPolarHBondContact CB-O 3.5Å
116L91.8Very high93.4Very high4 Ų434.8 Ų34.82%0.02119%0.188CC..Hα-helixtrans-82.1-42.3-177.4-66171.1000112.3D94 G95 F96 S112 I113 T114 R174 L232 K239D94-L116 HydrophobicContact CB-CD2 4.26Å; G95-L116 VanDerWaalsContact C-CD1 3.48Å; G95-L116 WeakPolarHBondContact O-CD1 3.39Å; F96-L116 HydrophobicContact CB-CD1 4.48Å; F96-L116 HydrophobicContact CD1-CD1 3.97Å; S112-L116 WeakPolarHBondContact O-CD1 3.5Å; S112-L116 WeakPolarHBondContact O-CG 3.22Å; I113-L116 PolarHBondContact O-N 2.9Å; T114-L116 VanDerWaalsContact C-N 3.33Å; T114-L116 PolarHBondContact O-N 2.87Å; L116-R174 VanDerWaalsContact O-CZ 3.27Å; L116-R174 PolarHBondContact O-NH1 2.9Å; L116-R174 PolarHBondContact O-NH2 3.13Å; L116-L232 HydrophobicContact CB-CD1 4Å; L116-L232 HydrophobicContact CB-CD2 4.44Å; L116-L232 HydrophobicContact CD1-CD1 4.32Å; L116-L232 HydrophobicContact CD2-CD1 4.43Å; L116-L232 HydrophobicContact CD2-CD2 4.35Å; L116-L232 HydrophobicContact CG-CD1 4.48Å; L116-K239 HydrophobicContact CD2-CD 4.35Å
117L92.6Very high93.3Very high0 Ų038.5 Ų38.50%021%0.206CC..Hα-helixtrans-124.2-5.8-171.3-63.3-179.9000115F96 I113 H119 L172 R174 G175 E186 L232F96-L117 HydrophobicContact CE1-CD1 3.65Å; F96-L117 HydrophobicContact CE1-CG 4.38Å; F96-L117 HydrophobicContact CZ-CD1 3.84Å; I113-L117 HydrophobicContact CD1-CD1 4.44Å; I113-L117 HydrophobicContact CG1-CB 4.23Å; I113-L117 HydrophobicContact CG1-CD1 4.15Å; I113-L117 PolarHBondContact O-N 3.43Å; L117-H119 VanDerWaalsContact C-N 3.35Å; L117-H119 PolarHBondContact O-N 2.86Å; L117-L172 HydrophobicContact CD1-CB 4.43Å; L117-L172 HydrophobicContact CD1-CD2 3.57Å; L117-L172 HydrophobicContact CD1-CG 4.19Å; L117-R174 HydrophobicContact CD2-CG 4.47Å; L117-R174 CarbonylContact O-C 3.57Å; L117-R174 VanDerWaalsContact O-CA 3.3Å; L117-R174 WeakPolarHBondContact O-CA 3.19Å; L117-G175 PolarHBondContact O-N 2.99Å; L117-E186 HydrophobicContact CD2-CB 3.82Å; L117-E186 HydrophobicContact CD2-CG 3.58Å; L117-L232 HydrophobicContact CD2-CD1 4.35Å
118G91.4Very high93.4Very high7 Ų737 Ų377%0.07220%0.198CC..SBendtrans79.18.4175.400000115.8T114 Y353T114-G118 VanDerWaalsContact O-CA 3.22Å; T114-G118 WeakPolarHBondContact O-CA 3.4Å; T114-G118 PolarHBondContact O-N 3.31Å; G118-Y353 WeakPolarHBondContact CA-OH 3.41Å; G118-Y353 VanDerWaalsContact O-CE1 3.29Å; G118-Y353 WeakPolarHBondContact O-CE1 3.32Å; G118-Y353 PolarHBondContact O-OH 3.22Å
119H92.9Very high93.4Very high16 Ų1632 Ų327%0.07418%0.179CC..  trans-97.3140.1173.6-63.4-64.5000111.5T114 L117 V124 F132 L173 G175T114-H119 WeakPolarHBondContact CA-O 3.22Å; T114-H119 PolarHBondContact N-O 2.84Å; T114-H119 PolarHBondContact OG1-O 3.43Å; L117-H119 VanDerWaalsContact C-N 3.35Å; L117-H119 PolarHBondContact O-N 2.86Å; H119-V124 HydrophobicContact CB-CG2 3.61Å; H119-F132 AromaticContact NE2-CD1 4Å; H119-L173 PolarHBondContact CD2-O 3.27Å; H119-L173 PolarHBondContact NE2-O 3.42Å; H119-G175 WeakPolarHBondContact CE1-CA 3.49Å; H119-G175 PolarHBondContact CE1-N 3.41Å; H119-G175 VanDerWaalsContact CE1-N 3.28Å; H119-G175 PolarHBondContact NE2-N 2.85Å
120L92.8Very high93.3Very high28 Ų2833.3 Ų33.315%0.14719%0.185CC..  trans-76148.3164.9-63.8173.8000109.6T114 S122 D123 Y353 A354 R357T114-L120 HydrophobicContact CG2-CD2 3.94Å; L120-S122 VanDerWaalsContact CB-OG 3.3Å; L120-S122 WeakPolarHBondContact CB-OG 2.94Å; L120-S122 PolarHBondContact O-N 3.35Å; L120-S122 VanDerWaalsContact O-N 3.15Å; L120-D123 WeakPolarHBondContact O-CB 3.44Å; L120-D123 PolarHBondContact O-N 2.87Å; L120-Y353 HydrophobicContact CD2-CD1 3.92Å; L120-A354 HydrophobicContact CD1-CB 3.78Å; L120-A354 HydrophobicContact CD2-CB 4.03Å; L120-R357 VanDerWaalsContact CD1-NH1 3.3Å
121P94.3Very high93.4Very high15 Ų1537.6 Ų37.610%0.09721%0.208CC..G310 helixtrans-53.4-34.6173.1-29.437000113.4V109 I113 D123 V124 M125V109-P121 HydrophobicContact CG1-CB 3.8Å; V109-P121 HydrophobicContact CG1-CG 4.43Å; I113-P121 HydrophobicContact CG2-CG 4.21Å; P121-D123 PolarHBondContact O-N 3.37Å; P121-V124 PolarHBondContact O-N 2.84Å; P121-V124 VanDerWaalsContact O-N 3.12Å; P121-M125 HydrophobicContact CB-CE 4.16Å; P121-M125 WeakPolarHBondContact O-CG 3.24Å; P121-M125 PolarHBondContact O-N 2.92Å
122S93.5Very high93.6Very high79 Ų7934.4 Ų34.455%0.55219%0.19SC*.G310 helixtrans-58.3-25.1174.953.40000115L120L120-S122 VanDerWaalsContact CB-OG 3.3Å; L120-S122 WeakPolarHBondContact CB-OG 2.94Å; L120-S122 PolarHBondContact O-N 3.35Å; L120-S122 VanDerWaalsContact O-N 3.15Å
123D92.3Very high93.8Very high55 Ų5534.2 Ų34.229%0.29419%0.188SC..G310 helixtrans-92.7-9.6-176.8-60.830.5000111.2L120 P121 Q127 R357L120-D123 WeakPolarHBondContact O-CB 3.44Å; L120-D123 PolarHBondContact O-N 2.87Å; P121-D123 PolarHBondContact O-N 3.37Å; D123-Q127 WeakPolarHBondContact O-CG 3.42Å; D123-R357 IonicContact OD1-NH1 3.79Å; D123-R357 IonicContact OD2-CZ 3.34Å; D123-R357 IonicContact OD2-NH1 3.74Å; D123-R357 PolarHBondContact OD2-NH1 3.17Å; D123-R357 IonicContact OD2-NH2 3.53Å; D123-R357 PolarHBondContact OD2-NH2 2.82Å
124V95.5Very high93.9Very high4 Ų435 Ų352%0.02419%0.193CC..THydrogen-bonded Turntrans-119.9-32.7-170.4-179.30000112.3I106 V109 I113 H119 P121 Q127 F132I106-V124 HydrophobicContact CD1-CG1 3.61Å; I106-V124 HydrophobicContact CG2-CG1 4.36Å; V109-V124 HydrophobicContact CG1-CB 4.31Å; V109-V124 HydrophobicContact CG1-CG1 4.32Å; I113-V124 HydrophobicContact CD1-CG1 4.17Å; I113-V124 HydrophobicContact CD1-CG2 4.18Å; H119-V124 HydrophobicContact CB-CG2 3.61Å; P121-V124 PolarHBondContact O-N 2.84Å; P121-V124 VanDerWaalsContact O-N 3.12Å; V124-Q127 WeakPolarHBondContact O-CB 3.44Å; V124-Q127 PolarHBondContact O-N 3.25Å; V124-F132 HydrophobicContact CB-CZ 4.27Å; V124-F132 HydrophobicContact CG1-CE2 4.29Å; V124-F132 HydrophobicContact CG1-CZ 4.26Å; V124-F132 HydrophobicContact CG2-CE1 4.05Å; V124-F132 HydrophobicContact CG2-CZ 4Å
125M94.6Very high94Very high73 Ų7342.1 Ų42.136%0.3623%0.226SC..THydrogen-bonded Turntrans-63147.7170.3-69.2-175-63.200111.7V109 P121 Q127V109-M125 HydrophobicContact CG1-CG 4.17Å; P121-M125 HydrophobicContact CB-CE 4.16Å; P121-M125 WeakPolarHBondContact O-CG 3.24Å; P121-M125 PolarHBondContact O-N 2.92Å; M125-Q127 PolarHBondContact O-N 3Å
126D93.3Very high94.3Very high120 Ų12047.8 Ų47.864%0.64225%0.25SC*.THydrogen-bonded Turntrans57.37.5-175.5-61-44000114.9I106I106-D126 PolarHBondContact O-N 3.09Å
127Q95.9Very high94.5Very high79 Ų7949.7 Ų49.737%0.36926%0.259SS..SBendtrans-92.3158.5170.9-59.3-48.6-61.900111.3I106 D123 V124 M125 F132I106-Q127 PolarHBondContact N-O 3.5Å; D123-Q127 WeakPolarHBondContact O-CG 3.42Å; V124-Q127 WeakPolarHBondContact O-CB 3.44Å; V124-Q127 PolarHBondContact O-N 3.25Å; M125-Q127 PolarHBondContact O-N 3Å; Q127-F132 HydrophobicContact CB-CE2 3.71Å; Q127-F132 HydrophobicContact CB-CZ 4Å; Q127-F132 HydrophobicContact CG-CE2 4.4Å; Q127-F132 HydrophobicContact CG-CZ 4.19Å
128N95.6Very high94.6Very high39 Ų3952.2 Ų52.221%0.20927%0.27CS..BIsolated β-bridgetrans-84134.6171.3-164.1-76.9000110.4D103 G104 L130 N131D103-N128 PolarHBondContact O-ND2 3.09Å; G104-N128 VanDerWaalsContact C-ND2 3.34Å; G104-N128 CarbonylContact O-C 3.53Å; G104-N128 WeakPolarHBondContact O-CA 3.3Å; N128-L130 PolarHBondContact O-N 2.85Å; N128-L130 VanDerWaalsContact O-N 3.16Å; N128-L130 WeakPolarHBondContact OD1-CB 3.5Å; N128-L130 VanDerWaalsContact OD1-CG 3.26Å; N128-L130 WeakPolarHBondContact OD1-CG 3.36Å; N128-L130 PolarHBondContact OD1-N 2.94Å; N128-L130 VanDerWaalsContact OD1-N 3.1Å; N128-N131 VanDerWaalsContact O-CB 3.23Å; N128-N131 WeakPolarHBondContact O-CB 3.46Å; N128-N131 PolarHBondContact O-N 3Å
129L95.8Very high94.7Very high2 Ų256.4 Ų56.41%0.0130%0.298CS..G310 helixtrans-53.5-35.8179.918064.4000112.5I98 V100 G104 I106 N131 F132 V141 L145 L172 F190I98-L129 HydrophobicContact CD1-CD1 4.39Å; V100-L129 HydrophobicContact CG1-CB 4.23Å; V100-L129 HydrophobicContact CG1-CD2 4.42Å; G104-L129 WeakPolarHBondContact O-CB 3.35Å; G104-L129 PolarHBondContact O-N 3.34Å; I106-L129 HydrophobicContact CD1-CB 4.31Å; I106-L129 HydrophobicContact CD1-CD1 4.21Å; I106-L129 HydrophobicContact CG1-CB 4.24Å; L129-N131 PolarHBondContact O-N 2.92Å; L129-N131 VanDerWaalsContact O-N 3.17Å; L129-F132 PolarHBondContact O-N 2.96Å; L129-V141 HydrophobicContact CD2-CG1 4.02Å; L129-L145 HydrophobicContact CD2-CD1 4.31Å; L129-L172 HydrophobicContact CD1-CD1 4.06Å; L129-F190 HydrophobicContact CD1-CZ 4.33Å; L129-F190 HydrophobicContact CD2-CZ 4.34Å
130L94.8Very high94.7Very high32 Ų3261.7 Ų61.717%0.16832%0.323CS..G310 helixtrans-60.1-26.6179.6-56-175.3000112.6N128 F132 L133 H138 Y142N128-L130 PolarHBondContact O-N 2.85Å; N128-L130 VanDerWaalsContact O-N 3.16Å; N128-L130 WeakPolarHBondContact OD1-CB 3.5Å; N128-L130 VanDerWaalsContact OD1-CG 3.26Å; N128-L130 WeakPolarHBondContact OD1-CG 3.36Å; N128-L130 PolarHBondContact OD1-N 2.94Å; N128-L130 VanDerWaalsContact OD1-N 3.1Å; L130-F132 PolarHBondContact O-N 2.78Å; L130-F132 VanDerWaalsContact O-N 3.1Å; L130-L133 HydrophobicContact CD2-CD1 3.79Å; L130-L133 PolarHBondContact O-N 3.3Å; L130-L133 VanDerWaalsContact O-N 3.16Å; L130-H138 HydrophobicContact CD1-CB 4.46Å; L130-H138 HydrophobicContact CD2-CB 4.21Å; L130-H138 PolarHBondContact O-CE1 3.21Å; L130-H138 VanDerWaalsContact O-CE1 3.28Å; L130-H138 PolarHBondContact O-NE2 2.96Å; L130-Y142 HydrophobicContact CD1-CD2 4.32Å
131N95.5Very high94.7Very high99 Ų9960.5 Ų60.553%0.52932%0.317SS..G310 helixtrans-61.7-19.7176.7-62.6-6.3000113.2N128 L129N128-N131 VanDerWaalsContact O-CB 3.23Å; N128-N131 WeakPolarHBondContact O-CB 3.46Å; N128-N131 PolarHBondContact O-N 3Å; L129-N131 PolarHBondContact O-N 2.92Å; L129-N131 VanDerWaalsContact O-N 3.17Å
132F96.4Very high94.6Very high21 Ų2165.1 Ų65.19%0.09233%0.333CS..G310 helixtrans-107.1-3.3-178.3-54.6-85.2000113I106 H119 V124 Q127 L129 L130 L172 L173I106-F132 HydrophobicContact CD1-CD2 4.24Å; I106-F132 HydrophobicContact CD1-CE2 4.03Å; H119-F132 AromaticContact NE2-CD1 4Å; V124-F132 HydrophobicContact CB-CZ 4.27Å; V124-F132 HydrophobicContact CG1-CE2 4.29Å; V124-F132 HydrophobicContact CG1-CZ 4.26Å; V124-F132 HydrophobicContact CG2-CE1 4.05Å; V124-F132 HydrophobicContact CG2-CZ 4Å; Q127-F132 HydrophobicContact CB-CE2 3.71Å; Q127-F132 HydrophobicContact CB-CZ 4Å; Q127-F132 HydrophobicContact CG-CE2 4.4Å; Q127-F132 HydrophobicContact CG-CZ 4.19Å; L129-F132 PolarHBondContact O-N 2.96Å; L130-F132 PolarHBondContact O-N 2.78Å; L130-F132 VanDerWaalsContact O-N 3.1Å; F132-L172 HydrophobicContact CB-CD1 3.41Å; F132-L172 VanDerWaalsContact CB-CD1 3.41Å; F132-L172 HydrophobicContact CB-CG 4.2Å; F132-L172 HydrophobicContact CG-CD1 4.5Å; F132-L173 HydrophobicContact CB-CB 4.41Å; F132-L173 WeakPolarHBondContact O-CB 3.3Å; F132-L173 PolarHBondContact O-N 2.84Å
133L95.9Very high94.5Very high6 Ų668.4 Ų68.43%0.03134%0.338CS..SBendtrans-99.5151.4179-56.6-178.1000111.1L130 H138 V141 C170 H171 L172L130-L133 HydrophobicContact CD2-CD1 3.79Å; L130-L133 PolarHBondContact O-N 3.3Å; L130-L133 VanDerWaalsContact O-N 3.16Å; L133-H138 PolarHBondContact O-NE2 3.1Å; L133-V141 HydrophobicContact CD1-CB 3.78Å; L133-V141 HydrophobicContact CD1-CG1 3.96Å; L133-V141 HydrophobicContact CD1-CG2 3.74Å; L133-C170 HydrophobicContact CD2-CB 4.28Å; L133-C170 VanDerWaalsContact CD2-SG 3.57Å; L133-H171 WeakPolarHBondContact CD2-O 3.31Å; L133-L172 HydrophobicContact CD2-CD1 3.74Å
134P95.6Very high94.4Very high19 Ų1967.4 Ų67.412%0.12333%0.332CS..  trans-59.3138.6164.9-19.731.7000111.3Q136 E137 H138 H171 Y185P134-Q136 VanDerWaalsContact CB-OE1 3.3Å; P134-Q136 PolarHBondContact O-N 2.74Å; P134-E137 PolarHBondContact O-N 2.76Å; P134-H138 PolarHBondContact O-CD2 2.59Å; P134-H171 VanDerWaalsContact CD-O 3.27Å; P134-H171 WeakPolarHBondContact CD-O 3.41Å; P134-H171 HydrophobicContact CG-CB 3.71Å; P134-Y185 HydrophobicContact CG-CD1 3.78Å; P134-Y185 HydrophobicContact CG-CE1 3.76Å; P134-Y185 HydrophobicContact CG-CG 4.29Å
135E93.9Very high94.1Very high157 Ų15767.3 Ų67.373%0.73433%0.331SS*.THydrogen-bonded Turntrans-50.8-30.1-177.5-61.5-178.7163.200113.7E137E135-E137 VanDerWaalsContact C-N 3.31Å; E135-E137 PolarHBondContact O-N 2.91Å
136Q95.3Very high93.6Very high148 Ų14865.6 Ų65.669%0.69233%0.327SS*.THydrogen-bonded Turntrans-65.9-31.9-179.8-60.17522.100112.5P134P134-Q136 VanDerWaalsContact CB-OE1 3.3Å; P134-Q136 PolarHBondContact O-N 2.74Å
137E96Very high92.7Very high45 Ų4562.7 Ų62.721%0.2132%0.315CS..THydrogen-bonded Turntrans-92.5-12.8-174.1-59.8-174.2169.200112.8P134 E135 S139 E140 V141 C170 H171P134-E137 PolarHBondContact O-N 2.76Å; E135-E137 VanDerWaalsContact C-N 3.31Å; E135-E137 PolarHBondContact O-N 2.91Å; E137-S139 VanDerWaalsContact C-N 3.29Å; E137-S139 PolarHBondContact O-N 2.94Å; E137-E140 PolarHBondContact O-N 3.35Å; E137-E140 VanDerWaalsContact O-N 3.08Å; E137-V141 PolarHBondContact O-N 3.47Å; E137-V141 VanDerWaalsContact O-N 3.13Å; E137-C170 WeakPolarHBondContact OE2-CA 3.33Å; E137-C170 VanDerWaalsContact OE2-CB 3.27Å; E137-C170 WeakPolarHBondContact OE2-CB 3.42Å; E137-H171 IonicContact OE1-CE1 3.7Å; E137-H171 IonicContact OE1-CG 2.68Å; E137-H171 IonicContact OE1-ND1 3.35Å; E137-H171 PolarHBondContact OE1-ND1 2.95Å; E137-H171 PolarHBondContact OE2-N 2.89Å; E137-H171 IonicContact OE2-ND1 2.67Å
138H94.6Very high91.2Very high53 Ų5361 Ų6125%0.24531%0.307CS..Hα-helixtrans-53.9-44.3-175-72.7-163.8000112.8L130 L133 P134 E140 Y142L130-H138 HydrophobicContact CD1-CB 4.46Å; L130-H138 HydrophobicContact CD2-CB 4.21Å; L130-H138 PolarHBondContact O-CE1 3.21Å; L130-H138 VanDerWaalsContact O-CE1 3.28Å; L130-H138 PolarHBondContact O-NE2 2.96Å; L133-H138 PolarHBondContact O-NE2 3.1Å; P134-H138 PolarHBondContact O-CD2 2.59Å; H138-E140 VanDerWaalsContact C-N 3.3Å; H138-E140 PolarHBondContact O-N 3.2Å; H138-Y142 WeakPolarHBondContact O-CB 3.27Å; H138-Y142 PolarHBondContact O-N 3.29Å
139S93.9Very high89.5Confident95 Ų9563.1 Ų63.166%0.66432%0.317SS*.Hα-helixtrans-69-27.1-176.771.70000113.6E137 K143E137-S139 VanDerWaalsContact C-N 3.29Å; E137-S139 PolarHBondContact O-N 2.94Å; S139-K143 WeakPolarHBondContact O-CB 3.39Å; S139-K143 PolarHBondContact O-N 3.19Å
140E93.2Very high87.4Confident126 Ų12670.5 Ų70.559%0.58936%0.356SS*.Hα-helixtrans-81.6-49.4178.7-178.6150.7-141.800110.9E137 H138 Y142 K143 I144E137-E140 PolarHBondContact O-N 3.35Å; E137-E140 VanDerWaalsContact O-N 3.08Å; H138-E140 VanDerWaalsContact C-N 3.3Å; H138-E140 PolarHBondContact O-N 3.2Å; E140-Y142 PolarHBondContact O-N 2.78Å; E140-K143 WeakPolarHBondContact O-CB 3.38Å; E140-K143 PolarHBondContact O-N 3.06Å; E140-I144 HydrophobicContact CG-CD1 4.01Å; E140-I144 VanDerWaalsContact O-CG1 3.31Å; E140-I144 WeakPolarHBondContact O-CG1 3.45Å; E140-I144 PolarHBondContact O-N 2.75Å
141V93.4Very high85.3Confident3 Ų374 Ų742%0.01838%0.378CS..Hα-helixtrans-64.3-39.9177.8-179.70000111.4L129 L133 E137 K143 I144 L145 F168 C170L129-V141 HydrophobicContact CD2-CG1 4.02Å; L133-V141 HydrophobicContact CD1-CB 3.78Å; L133-V141 HydrophobicContact CD1-CG1 3.96Å; L133-V141 HydrophobicContact CD1-CG2 3.74Å; E137-V141 PolarHBondContact O-N 3.47Å; E137-V141 VanDerWaalsContact O-N 3.13Å; V141-K143 PolarHBondContact O-N 3.48Å; V141-I144 WeakPolarHBondContact O-CB 3.28Å; V141-I144 PolarHBondContact O-N 2.89Å; V141-L145 HydrophobicContact CG1-CD1 4.23Å; V141-L145 HydrophobicContact CG1-CG 4.42Å; V141-L145 WeakPolarHBondContact O-CG 3.35Å; V141-L145 PolarHBondContact O-N 2.88Å; V141-F168 HydrophobicContact CG1-CE2 4.02Å; V141-F168 HydrophobicContact CG1-CZ 4.15Å; V141-F168 HydrophobicContact CG2-CD2 4.48Å; V141-F168 HydrophobicContact CG2-CE2 4.12Å; V141-C170 HydrophobicContact CG2-CB 3.96Å
142Y91.8Very high83.1Confident112 Ų11272.8 Ų72.844%0.43937%0.374SS..Hα-helixtrans-64.5-39.1175.3-172.6-95.4000112.6L130 H138 E140 I144 S146L130-Y142 HydrophobicContact CD1-CD2 4.32Å; H138-Y142 WeakPolarHBondContact O-CB 3.27Å; H138-Y142 PolarHBondContact O-N 3.29Å; E140-Y142 PolarHBondContact O-N 2.78Å; Y142-I144 VanDerWaalsContact C-N 3.34Å; Y142-S146 WeakPolarHBondContact O-CB 3.48Å; Y142-S146 PolarHBondContact O-N 3.46Å; Y142-S146 PolarHBondContact O-OG 2.94Å
143K91.3Very high80.3Confident149 Ų14979.4 Ų79.465%0.64841%0.411SS*.Hα-helixtrans-63.2-39.9173.4175.1-169.5169.9-160.20111.4S139 E140 V141 S146 S147S139-K143 WeakPolarHBondContact O-CB 3.39Å; S139-K143 PolarHBondContact O-N 3.19Å; E140-K143 WeakPolarHBondContact O-CB 3.38Å; E140-K143 PolarHBondContact O-N 3.06Å; V141-K143 PolarHBondContact O-N 3.48Å; K143-S146 PolarHBondContact O-OG 3.41Å; K143-S147 WeakPolarHBondContact O-CB 3.48Å; K143-S147 PolarHBondContact O-N 2.92Å; K143-S147 VanDerWaalsContact O-N 3.09Å
144I90.4Very high77.3Confident34 Ų3482.7 Ų82.717%0.17443%0.434CS..Hα-helixtrans-62.8-53.4176.3-71.7164.3000110.3E140 V141 Y142 S146 S147 L166 F168E140-I144 HydrophobicContact CG-CD1 4.01Å; E140-I144 VanDerWaalsContact O-CG1 3.31Å; E140-I144 WeakPolarHBondContact O-CG1 3.45Å; E140-I144 PolarHBondContact O-N 2.75Å; V141-I144 WeakPolarHBondContact O-CB 3.28Å; V141-I144 PolarHBondContact O-N 2.89Å; Y142-I144 VanDerWaalsContact C-N 3.34Å; I144-S146 PolarHBondContact O-N 2.98Å; I144-S147 PolarHBondContact O-N 2.83Å; I144-S147 PolarHBondContact O-OG 3.48Å; I144-L166 HydrophobicContact CG2-CD1 3.86Å; I144-L166 HydrophobicContact CG2-CD2 3.46Å; I144-L166 VanDerWaalsContact CG2-CD2 3.46Å; I144-L166 HydrophobicContact CG2-CG 4.22Å; I144-F168 HydrophobicContact CD1-CB 3.96Å; I144-F168 HydrophobicContact CD1-CD2 4.45Å; I144-F168 HydrophobicContact CD1-CG 4.11Å; I144-F168 HydrophobicContact CG2-CD1 3.76Å; I144-F168 HydrophobicContact CG2-CE1 3.96Å; I144-F168 HydrophobicContact CG2-CG 4.37Å
145L88.7Confident74.4Confident1 Ų188.3 Ų88.31%0.00547%0.471CS..Hα-helixtrans-60.9-41.5-179.5-69175.2000113.1V100 L129 V141 F226V100-L145 HydrophobicContact CG1-CD1 4.24Å; L129-L145 HydrophobicContact CD2-CD1 4.31Å; V141-L145 HydrophobicContact CG1-CD1 4.23Å; V141-L145 HydrophobicContact CG1-CG 4.42Å; V141-L145 WeakPolarHBondContact O-CG 3.35Å; V141-L145 PolarHBondContact O-N 2.88Å; L145-F226 HydrophobicContact CD2-CB 3.98Å; L145-F226 HydrophobicContact CD2-CD1 3.98Å; L145-F226 HydrophobicContact CD2-CG 4.24Å
146S84.7Confident71.5Confident38 Ų3883.5 Ų83.527%0.26646%0.455SS..Hα-helixtrans-76.4-21.9-179.2570000114.1Y142 K143 I144 H148 M149Y142-S146 WeakPolarHBondContact O-CB 3.48Å; Y142-S146 PolarHBondContact O-N 3.46Å; Y142-S146 PolarHBondContact O-OG 2.94Å; K143-S146 PolarHBondContact O-OG 3.41Å; I144-S146 PolarHBondContact O-N 2.98Å; S146-H148 VanDerWaalsContact C-N 3.3Å; S146-H148 PolarHBondContact O-N 2.98Å; S146-M149 WeakPolarHBondContact O-CB 3.24Å; S146-M149 PolarHBondContact O-N 3.27Å
147S73.9Confident69Low58 Ų5880.6 Ų80.641%0.40645%0.449SS..Hα-helixtrans-57.6-36.6-174.567.40000114.3K143 I144 M149 L150K143-S147 WeakPolarHBondContact O-CB 3.48Å; K143-S147 PolarHBondContact O-N 2.92Å; K143-S147 VanDerWaalsContact O-N 3.09Å; I144-S147 PolarHBondContact O-N 2.83Å; I144-S147 PolarHBondContact O-OG 3.48Å; S147-M149 PolarHBondContact O-N 3.47Å; S147-L150 PolarHBondContact O-N 3.33Å; S147-L150 VanDerWaalsContact O-N 3.14Å
148H65.4Low66Low44 Ų4484.6 Ų84.620%0.20447%0.467CS..G310 helixtrans-61.7-25.5-178.6-173.9-83.2000113.6S146 L150 V151 T152 F194S146-H148 VanDerWaalsContact C-N 3.3Å; S146-H148 PolarHBondContact O-N 2.98Å; H148-L150 PolarHBondContact O-N 2.91Å; H148-V151 PolarHBondContact O-N 3.3Å; H148-V151 VanDerWaalsContact O-N 3.14Å; H148-T152 PolarHBondContact CE1-OG1 3.08Å; H148-T152 PolarHBondContact O-OG1 2.85Å; H148-F194 HydrophobicContact CB-CD1 3.9Å; H148-F194 HydrophobicContact CB-CD2 3.77Å; H148-F194 HydrophobicContact CB-CE1 3.84Å; H148-F194 HydrophobicContact CB-CE2 3.71Å; H148-F194 HydrophobicContact CB-CG 3.85Å; H148-F194 HydrophobicContact CB-CZ 3.74Å; H148-F194 AromaticContact CD2-CD2 3.4Å; H148-F194 VanDerWaalsContact CD2-CD2 3.4Å; H148-F194 WeakPolarHBondContact CD2-CD2 3.45Å; H148-F194 AromaticContact CD2-CG 3.52Å; H148-F194 AromaticContact CG-CD1 3.94Å; H148-F194 AromaticContact CG-CD2 3.67Å; H148-F194 AromaticContact CG-CG 3.54Å
149M58.5Low63.2Low83 Ų8391 Ų9141%0.40949%0.491SS..G310 helixtrans-61.1-25.1177.4-64.2-77.98300112.9T102 S146 S147 V224T102-M149 HydrophobicContact CG2-CE 4Å; T102-M149 HydrophobicContact CG2-CG 4.18Å; T102-M149 HydrophobicContact CG2-SD 4.16Å; S146-M149 WeakPolarHBondContact O-CB 3.24Å; S146-M149 PolarHBondContact O-N 3.27Å; S147-M149 PolarHBondContact O-N 3.47Å; M149-V224 HydrophobicContact CE-CB 3.91Å; M149-V224 HydrophobicContact CE-CG1 4.46Å; M149-V224 HydrophobicContact CE-CG2 3.78Å
150L51.6Low60.8Low157 Ų15793.9 Ų93.982%0.82250%0.498SS*.G310 helixtrans-80.8-12.4179.9-58.1177.5000113.9S147 H148S147-L150 PolarHBondContact O-N 3.33Å; S147-L150 VanDerWaalsContact O-N 3.14Å; H148-L150 PolarHBondContact O-N 2.91Å
151V51.6Low58.7Low106 Ų10692.5 Ų92.564%0.64249%0.49SS*.THydrogen-bonded Turntrans-97.1-19.2-174.8-169.20000112.2H148 D153H148-V151 PolarHBondContact O-N 3.3Å; H148-V151 VanDerWaalsContact O-N 3.14Å; V151-D153 PolarHBondContact O-N 2.93Å
152T48.6Very low56.4Low73 Ų7396.4 Ų96.445%0.44852%0.517SS..THydrogen-bonded Turntrans-82.7-9.1-165.8-53.80000114.2H148 S154H148-T152 PolarHBondContact CE1-OG1 3.08Å; H148-T152 PolarHBondContact O-OG1 2.85Å; T152-S154 VanDerWaalsContact C-N 3.25Å; T152-S154 PolarHBondContact O-N 3.34Å; T152-S154 VanDerWaalsContact O-N 3.16Å
153D37Very low54.5Low161 Ų16198.3 Ų98.386%0.86154%0.535SS*.THydrogen-bonded Turntrans-76.63.9-172.3-107.3-5.6000115.5V151V151-D153 PolarHBondContact O-N 2.93Å
154S33.6Very low52.8Low75 Ų7594.4 Ų94.452%0.52453%0.526SS..  trans-93.3124.4176.191.10000112T152 S156T152-S154 VanDerWaalsContact C-N 3.25Å; T152-S154 PolarHBondContact O-N 3.34Å; T152-S154 VanDerWaalsContact O-N 3.16Å; S154-S156 VanDerWaalsContact C-N 3.26Å; S154-S156 PolarHBondContact O-N 3.23Å; S154-S156 VanDerWaalsContact O-N 3.09Å
155P34.1Very low52.1Low136 Ų13698.3 Ų98.388%0.88355%0.548SS*.  trans-84.826.8-169.734.1-37.7000115.1
156S34.8Very low52Low57 Ų57100.1 Ų100.140%0.39956%0.557SS.*  trans-103.3122.5179.2167.70000112S154 E158S154-S156 VanDerWaalsContact C-N 3.26Å; S154-S156 PolarHBondContact O-N 3.23Å; S154-S156 VanDerWaalsContact O-N 3.09Å; S156-E158 PolarHBondContact O-N 2.64Å; S156-E158 WeakPolarHBondContact OG-CB 3.29Å; S156-E158 PolarHBondContact OG-N 2.71Å; S156-E158 PolarHBondContact OG-OE2 3.19Å
157P41.8Very low52.4Low87 Ų87103.4 Ų103.457%0.56557%0.568SS**THydrogen-bonded Turntrans-79.313173.234.1-35.7000114
158E32.8Very low53.3Low129 Ų129101.2 Ų101.260%0.60355%0.552SS**THydrogen-bonded Turntrans-88.4-23.4178.2-72.262.5-127.600113S156 L160S156-E158 PolarHBondContact O-N 2.64Å; S156-E158 WeakPolarHBondContact OG-CB 3.29Å; S156-E158 PolarHBondContact OG-N 2.71Å; S156-E158 PolarHBondContact OG-OE2 3.19Å; E158-L160 PolarHBondContact O-N 3.48Å
159Y36.7Very low54.8Low188 Ų188104.8 Ų104.874%0.73756%0.564SS**  trans-92.236-169.3-139.4-93.4000115.4
160L42.5Very low56.5Low155 Ų155100.9 Ų100.981%0.81255%0.545SS*.  trans-96.536.5175.7-75.2171.9000112.9E158E158-L160 PolarHBondContact O-N 3.48Å
161K49.3Very low58.7Low97 Ų9796.4 Ų96.442%0.42252%0.52SS..SBendtrans-152.990.5178.7-75.2-169174.5-1720112.2E61E61-K161 PolarHBondContact O-NZ 3.31Å
162S45.8Very low60.8Low85 Ų8591.7 Ų91.759%0.59449%0.491SS*.SBendtrans-176.2-38137.765.30000114.9
163D51.1Low63.1Low151 Ų15190 Ų9081%0.80748%0.479SS*.SBendtrans-138.947.5-166.5-75.4-73.9000113.5
164S56.6Low65.7Low67 Ų6785.4 Ų85.447%0.46945%0.449SS..  trans-96.4-9.8178.957.40000115N193S164-N193 WeakPolarHBondContact O-CA 3.49Å; S164-N193 WeakPolarHBondContact O-CB 3.25Å
165D74.9Confident68.4Low117 Ų11782.6 Ų82.663%0.62643%0.432SS*.EExtended strand (participates in β ladder)trans-87.3113.6-179.8-64.3-43.1000109.8G192 N193D165-G192 CarbonylContact C-O 3.53Å; D165-G192 WeakPolarHBondContact CA-O 3.46Å; D165-N193 WeakPolarHBondContact OD1-CB 3.2Å; D165-N193 PolarHBondContact OD1-ND2 3.36Å
166L87.1Confident70.8Confident39 Ų3978.3 Ų78.320%0.20441%0.406CS..EExtended strand (participates in β ladder)trans-102.4123.5-179.8163.166000108.9I144 F168 G192 F194 F226I144-L166 HydrophobicContact CG2-CD1 3.86Å; I144-L166 HydrophobicContact CG2-CD2 3.46Å; I144-L166 VanDerWaalsContact CG2-CD2 3.46Å; I144-L166 HydrophobicContact CG2-CG 4.22Å; L166-F168 HydrophobicContact CD1-CD1 4.22Å; L166-F168 HydrophobicContact CD2-CD1 4.14Å; L166-F168 HydrophobicContact CD2-CE1 4.23Å; L166-F168 HydrophobicContact CG-CD1 4.04Å; L166-G192 PolarHBondContact N-O 3.03Å; L166-G192 PolarHBondContact O-N 3.49Å; L166-G192 VanDerWaalsContact O-N 3.08Å; L166-F194 HydrophobicContact CB-CE2 4.48Å; L166-F194 HydrophobicContact CD2-CE2 3.54Å; L166-F194 HydrophobicContact CD2-CZ 3.89Å; L166-F226 HydrophobicContact CB-CE2 3.85Å; L166-F226 HydrophobicContact CB-CZ 4.38Å; L166-F226 HydrophobicContact CD2-CD2 4.07Å; L166-F226 HydrophobicContact CD2-CE2 3.67Å; L166-F226 HydrophobicContact CD2-CZ 3.92Å; L166-F226 HydrophobicContact CG-CE2 3.93Å; L166-F226 HydrophobicContact CG-CZ 4.06Å
167E91.9Very high73Confident106 Ų10677.2 Ų77.250%0.49540%0.395SS..EExtended strand (participates in β ladder)trans-113.1136167.7-55.9-160.7131.600110.6K189 F190 V191E167-K189 VanDerWaalsContact CD-CE 3.43Å; E167-K189 WeakPolarHBondContact OE1-CE 3.32Å; E167-K189 IonicContact OE1-NZ 3.73Å; E167-K189 PolarHBondContact OE1-NZ 3.43Å; E167-K189 VanDerWaalsContact OE2-CE 3.25Å; E167-K189 WeakPolarHBondContact OE2-CE 3.48Å; E167-K189 IonicContact OE2-NZ 3.24Å; E167-K189 PolarHBondContact OE2-NZ 2.89Å; E167-F190 VanDerWaalsContact CA-O 3.3Å; E167-F190 WeakPolarHBondContact CA-O 3.31Å; E167-V191 HydrophobicContact CG-CG1 4.2Å; E167-V191 HydrophobicContact CG-CG2 4.21Å; E167-V191 WeakPolarHBondContact OE1-CG1 3Å; E167-V191 VanDerWaalsContact OE1-CG2 3.27Å; E167-V191 WeakPolarHBondContact OE1-CG2 3.16Å
168F93.9Very high74.8Confident13 Ų1376 Ų766%0.05738%0.384CS..EExtended strand (participates in β ladder)trans-150.3170.5167.967.3-91.9000111V141 I144 L166 K189 F190 F226V141-F168 HydrophobicContact CG1-CE2 4.02Å; V141-F168 HydrophobicContact CG1-CZ 4.15Å; V141-F168 HydrophobicContact CG2-CD2 4.48Å; V141-F168 HydrophobicContact CG2-CE2 4.12Å; I144-F168 HydrophobicContact CD1-CB 3.96Å; I144-F168 HydrophobicContact CD1-CD2 4.45Å; I144-F168 HydrophobicContact CD1-CG 4.11Å; I144-F168 HydrophobicContact CG2-CD1 3.76Å; I144-F168 HydrophobicContact CG2-CE1 3.96Å; I144-F168 HydrophobicContact CG2-CG 4.37Å; L166-F168 HydrophobicContact CD1-CD1 4.22Å; L166-F168 HydrophobicContact CD2-CD1 4.14Å; L166-F168 HydrophobicContact CD2-CE1 4.23Å; L166-F168 HydrophobicContact CG-CD1 4.04Å; F168-K189 WeakPolarHBondContact O-CA 3.34Å; F168-F190 HydrophobicContact CD1-CB 3.99Å; F168-F190 HydrophobicContact CD2-CB 4.41Å; F168-F190 AromaticContact CD2-CD2 3.95Å; F168-F190 HydrophobicContact CD2-CD2 3.95Å; F168-F190 HydrophobicContact CD2-CG 4.38Å; F168-F190 HydrophobicContact CE1-CB 3.77Å; F168-F190 HydrophobicContact CE1-CD1 4.33Å; F168-F190 HydrophobicContact CE1-CD2 4.4Å; F168-F190 AromaticContact CE1-CG 3.93Å; F168-F190 HydrophobicContact CE1-CG 3.93Å; F168-F190 HydrophobicContact CE2-CB 4.17Å; F168-F190 HydrophobicContact CE2-CD1 4.41Å; F168-F190 AromaticContact CE2-CD2 3.35Å; F168-F190 HydrophobicContact CE2-CD2 3.35Å; F168-F190 AromaticContact CE2-CE2 3.75Å; F168-F190 HydrophobicContact CE2-CE2 3.75Å; F168-F190 AromaticContact CE2-CG 3.74Å; F168-F190 HydrophobicContact CE2-CG 3.74Å; F168-F190 HydrophobicContact CE2-CZ 4.42Å; F168-F190 HydrophobicContact CG-CB 4.32Å; F168-F190 HydrophobicContact CZ-CB 3.85Å; F168-F190 AromaticContact CZ-CD1 3.83Å; F168-F190 HydrophobicContact CZ-CD1 3.83Å; F168-F190 AromaticContact CZ-CD2 3.62Å; F168-F190 HydrophobicContact CZ-CD2 3.62Å; F168-F190 HydrophobicContact CZ-CE1 4.24Å; F168-F190 HydrophobicContact CZ-CE2 4.08Å; 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 4.38Å; F168-F190 PolarHBondContact N-O 2.98Å; F168-F190 PolarHBondContact O-N 2.94Å; F168-F226 HydrophobicContact CD1-CE1 4.44Å; F168-F226 HydrophobicContact CD1-CZ 4.44Å; F168-F226 HydrophobicContact CE1-CD1 4.3Å; F168-F226 AromaticContact CE1-CE1 3.48Å; F168-F226 HydrophobicContact CE1-CE1 3.48Å; F168-F226 VanDerWaalsContact CE1-CE1 3.48Å; F168-F226 AromaticContact CE1-CZ 3.89Å; F168-F226 HydrophobicContact CE1-CZ 3.89Å; F168-F226 HydrophobicContact CZ-CE1 4.11Å
169Y95.7Very high76.9Confident118 Ų11875.2 Ų75.246%0.46339%0.39SS..EExtended strand (participates in β ladder)trans-126.3148.2176-59.3-103.1000109.7Y187 I188 K189Y169-Y187 VanDerWaalsContact CB-OH 3.24Å; Y169-Y187 WeakPolarHBondContact CB-OH 3.34Å; Y169-Y187 AromaticContact CD1-CE1 3.84Å; Y169-Y187 HydrophobicContact CD1-CE1 3.84Å; Y169-Y187 HydrophobicContact CG-CE1 4.31Å; Y169-Y187 AromaticContact CG-CZ 4Å; Y169-I188 VanDerWaalsContact CA-O 3.23Å; Y169-I188 WeakPolarHBondContact CA-O 3.44Å; Y169-K189 HydrophobicContact CD1-CB 3.72Å; Y169-K189 HydrophobicContact CD1-CG 3.9Å; Y169-K189 HydrophobicContact CE1-CB 3.55Å; Y169-K189 HydrophobicContact CE1-CD 3.83Å; Y169-K189 HydrophobicContact CE1-CG 3.52Å; Y169-K189 HydrophobicContact CE2-CD 4.44Å; Y169-K189 HydrophobicContact CE2-CG 4.2Å; Y169-K189 HydrophobicContact CG-CG 4.4Å; Y169-K189 WeakPolarHBondContact OH-CD 3.45Å; Y169-K189 WeakPolarHBondContact OH-CE 3.37Å
170C96.1Very high78.9Confident2 Ų273 Ų731%0.01439%0.385CS..EExtended strand (participates in β ladder)trans-159.7177.3169.361.90000109.8L133 E137 V141 I188 F190L133-C170 HydrophobicContact CD2-CB 4.28Å; L133-C170 VanDerWaalsContact CD2-SG 3.57Å; E137-C170 WeakPolarHBondContact OE2-CA 3.33Å; E137-C170 VanDerWaalsContact OE2-CB 3.27Å; E137-C170 WeakPolarHBondContact OE2-CB 3.42Å; V141-C170 HydrophobicContact CG2-CB 3.96Å; C170-I188 PolarHBondContact N-O 2.94Å; C170-I188 VanDerWaalsContact O-CG1 3.26Å; C170-I188 WeakPolarHBondContact O-CG1 3.33Å; C170-I188 PolarHBondContact O-N 3.32Å; C170-F190 WeakPolarHBondContact SG-CE2 3.31Å
171H96.9Very high81Confident62 Ų6271.2 Ų71.229%0.28737%0.372SS..EExtended strand (participates in β ladder)trans-96133.9174.3-71.494000111.1L133 P134 E137 Y185 E186 Y187L133-H171 WeakPolarHBondContact CD2-O 3.31Å; P134-H171 VanDerWaalsContact CD-O 3.27Å; P134-H171 WeakPolarHBondContact CD-O 3.41Å; P134-H171 HydrophobicContact CG-CB 3.71Å; E137-H171 IonicContact OE1-CE1 3.7Å; E137-H171 IonicContact OE1-CG 2.68Å; E137-H171 IonicContact OE1-ND1 3.35Å; E137-H171 PolarHBondContact OE1-ND1 2.95Å; E137-H171 PolarHBondContact OE2-N 2.89Å; E137-H171 IonicContact OE2-ND1 2.67Å; H171-Y185 HydrophobicContact CB-CD1 4.35Å; H171-Y185 HydrophobicContact CB-CG 4.48Å; H171-E186 CarbonylContact C-O 3.52Å; H171-E186 VanDerWaalsContact CA-O 3.28Å; H171-E186 WeakPolarHBondContact CA-O 3.47Å; 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
172L96.2Very high82.7Confident7 Ų775.2 Ų75.24%0.03739%0.39CS..EExtended strand (participates in β ladder)trans-123.1129.7178.5-158.566.6000111F96 L117 L129 F132 L133 R174 Y185 E186 I188F96-L172 HydrophobicContact CZ-CD2 3.99Å; L117-L172 HydrophobicContact CD1-CB 4.43Å; L117-L172 HydrophobicContact CD1-CD2 3.57Å; L117-L172 HydrophobicContact CD1-CG 4.19Å; L129-L172 HydrophobicContact CD1-CD1 4.06Å; F132-L172 HydrophobicContact CB-CD1 3.41Å; F132-L172 VanDerWaalsContact CB-CD1 3.41Å; F132-L172 HydrophobicContact CB-CG 4.2Å; F132-L172 HydrophobicContact CG-CD1 4.5Å; L133-L172 HydrophobicContact CD2-CD1 3.74Å; L172-R174 PolarHBondContact O-N 3.35Å; L172-Y185 WeakPolarHBondContact O-CA 3.38Å; L172-E186 PolarHBondContact N-O 3.44Å; L172-E186 PolarHBondContact O-N 3.43Å; L172-I188 HydrophobicContact CB-CD1 3.51Å; L172-I188 HydrophobicContact CB-CG1 4.01Å; L172-I188 HydrophobicContact CD2-CD1 3.57Å; L172-I188 HydrophobicContact CG-CD1 4.07Å
173L95.6Very high84.8Confident39 Ų3975.4 Ų75.420%0.20439%0.389CS..EExtended strand (participates in β ladder)trans-58.1132.2-177178.565.2000111H119 F132 P183 Y185H119-L173 PolarHBondContact CD2-O 3.27Å; H119-L173 PolarHBondContact NE2-O 3.42Å; F132-L173 HydrophobicContact CB-CB 4.41Å; F132-L173 WeakPolarHBondContact O-CB 3.3Å; F132-L173 PolarHBondContact O-N 2.84Å; L173-P183 HydrophobicContact CD1-CB 3.65Å; L173-Y185 HydrophobicContact CB-CD1 3.98Å; L173-Y185 HydrophobicContact CB-CE1 3.78Å; L173-Y185 HydrophobicContact CD1-CE1 4.14Å; L173-Y185 HydrophobicContact CD1-CE2 4.23Å
174R93.4Very high86.8Confident63 Ų6371.7 Ų71.724%0.23837%0.372CS..PPolyproline II helixtrans-79134.8166.1-60.2-169.667.775.120110.1L116 L117 L172 T184 E186L116-R174 VanDerWaalsContact O-CZ 3.27Å; L116-R174 PolarHBondContact O-NH1 2.9Å; L116-R174 PolarHBondContact O-NH2 3.13Å; L117-R174 HydrophobicContact CD2-CG 4.47Å; L117-R174 CarbonylContact O-C 3.57Å; L117-R174 VanDerWaalsContact O-CA 3.3Å; L117-R174 WeakPolarHBondContact O-CA 3.19Å; L172-R174 PolarHBondContact O-N 3.35Å; R174-T184 WeakPolarHBondContact CB-O 3.3Å; R174-T184 PolarHBondContact N-O 2.93Å; R174-E186 HydrophobicContact CG-CG 3.9Å; R174-E186 IonicContact CZ-OE1 3.18Å; R174-E186 IonicContact NE-OE1 3.56Å; R174-E186 VanDerWaalsContact NH1-CG 3.31Å; R174-E186 IonicContact NH1-OE1 2.74Å; R174-E186 PolarHBondContact NH1-OE1 3.13Å
175G89.4Confident88.6Confident16 Ų1672.5 Ų72.517%0.16537%0.365CS..PPolyproline II helixtrans-71.5133.2165.100000110.1L117 H119L117-G175 PolarHBondContact O-N 2.99Å; H119-G175 WeakPolarHBondContact CE1-CA 3.49Å; H119-G175 PolarHBondContact CE1-N 3.41Å; H119-G175 VanDerWaalsContact CE1-N 3.28Å; H119-G175 PolarHBondContact NE2-N 2.85Å
176S84.3Confident89.6Confident47 Ų4768.5 Ų68.533%0.32934%0.343SS..  trans-106.5149.7176.2179.80000112.2N178 E181S176-N178 VanDerWaalsContact C-N 3.27Å; S176-N178 PolarHBondContact OG-N 3.25Å; S176-N178 PolarHBondContact OG-O 3.18Å; S176-E181 VanDerWaalsContact CB-OE2 3.31Å; S176-E181 WeakPolarHBondContact CB-OE2 3.34Å; S176-E181 PolarHBondContact OG-OE2 3.34Å
177L81.1Confident90Very high33 Ų3371.4 Ų71.417%0.17335%0.352CS..SBendtrans-77-9.9166.8-81171.9000113W325 Y353 V356 R357 R360L177-W325 HydrophobicContact CD1-CH2 3.92Å; L177-W325 HydrophobicContact CD1-CZ2 3.78Å; L177-Y353 HydrophobicContact CD1-CE2 4.2Å; L177-Y353 HydrophobicContact CD2-CE2 4.05Å; L177-Y353 HydrophobicContact CG-CE2 4.12Å; L177-V356 HydrophobicContact CD2-CG1 4.14Å; L177-R357 HydrophobicContact CD2-CG 3.66Å; L177-R360 WeakPolarHBondContact O-CD 3.47Å
178N79.8Confident90.2Very high62 Ų6266.3 Ų66.333%0.33233%0.328SS..  trans-130110.6-177.3-179.67.8000111.2S176 K180 E181S176-N178 VanDerWaalsContact C-N 3.27Å; S176-N178 PolarHBondContact OG-N 3.25Å; S176-N178 PolarHBondContact OG-O 3.18Å; N178-K180 PolarHBondContact O-N 3.4Å; N178-K180 VanDerWaalsContact O-N 3.08Å; N178-K180 WeakPolarHBondContact OD1-CB 3.3Å; N178-K180 PolarHBondContact OD1-N 2.99Å; N178-E181 HydrophobicContact CB-CB 4.41Å; N178-E181 VanDerWaalsContact O-CB 3.31Å; N178-E181 WeakPolarHBondContact O-CB 3.24Å; N178-E181 PolarHBondContact O-N 3.24Å; N178-E181 VanDerWaalsContact O-N 3.08Å
179P76.2Confident90.3Very high113 Ų11367.6 Ų67.673%0.73433%0.333SS*.THydrogen-bonded Turntrans-70.3-418032.2-36.4000114L364P179-L364 HydrophobicContact CG-CD1 4.28Å
180K79.6Confident90.3Very high142 Ų14262 Ų6262%0.61731%0.311SS*.THydrogen-bonded Turntrans-91.7-0173.1-57.9-179.3177.5179.90112.3N178 D368N178-K180 PolarHBondContact O-N 3.4Å; N178-K180 VanDerWaalsContact O-N 3.08Å; N178-K180 WeakPolarHBondContact OD1-CB 3.3Å; N178-K180 PolarHBondContact OD1-N 2.99Å; K180-D368 IonicContact NZ-OD1 2.72Å; K180-D368 PolarHBondContact NZ-OD1 2.92Å
181E85.3Confident90.1Very high117 Ų11764.2 Ų64.255%0.54733%0.325SS..SBendtrans-85151.9175.8-170.2168.6-139.800112.1S176 N178S176-E181 VanDerWaalsContact CB-OE2 3.31Å; S176-E181 WeakPolarHBondContact CB-OE2 3.34Å; S176-E181 PolarHBondContact OG-OE2 3.34Å; N178-E181 HydrophobicContact CB-CB 4.41Å; N178-E181 VanDerWaalsContact O-CB 3.31Å; N178-E181 WeakPolarHBondContact O-CB 3.24Å; N178-E181 PolarHBondContact O-N 3.24Å; N178-E181 VanDerWaalsContact O-N 3.08Å
182F85.9Confident89.9Confident180 Ų18061.6 Ų61.679%0.78932%0.315SS*.  trans-76.4143.8177.5-70.7-80.5000111.8T184F182-T184 PolarHBondContact O-N 3.14Å; F182-T184 PolarHBondContact O-OG1 2.88Å
183P90.4Very high89.5Confident89 Ų8962.6 Ų62.658%0.57832%0.32SS*.  trans-61.6114.118025.6-34.3000110.6L173 Y185L173-P183 HydrophobicContact CD1-CB 3.65Å; P183-Y185 HydrophobicContact CB-CE2 4.06Å
184T92.9Very high89.1Confident74 Ų7462 Ų6245%0.45432%0.316SS..  trans-106.4139.8-178.7-62.10000108.9R174 F182R174-T184 WeakPolarHBondContact CB-O 3.3Å; R174-T184 PolarHBondContact N-O 2.93Å; F182-T184 PolarHBondContact O-N 3.14Å; F182-T184 PolarHBondContact O-OG1 2.88Å
185Y94.3Very high88.5Confident83 Ų8365.9 Ų65.933%0.32533%0.331SS..EExtended strand (participates in β ladder)trans-123.2143.2-175.1-61.9-104.8000110.9P134 H171 L172 L173 P183P134-Y185 HydrophobicContact CG-CD1 3.78Å; P134-Y185 HydrophobicContact CG-CE1 3.76Å; P134-Y185 HydrophobicContact CG-CG 4.29Å; H171-Y185 HydrophobicContact CB-CD1 4.35Å; H171-Y185 HydrophobicContact CB-CG 4.48Å; L172-Y185 WeakPolarHBondContact O-CA 3.38Å; L173-Y185 HydrophobicContact CB-CD1 3.98Å; L173-Y185 HydrophobicContact CB-CE1 3.78Å; L173-Y185 HydrophobicContact CD1-CE1 4.14Å; L173-Y185 HydrophobicContact CD1-CE2 4.23Å; P183-Y185 HydrophobicContact CB-CE2 4.06Å
186E94.9Very high87.9Confident34 Ų3467.9 Ų67.916%0.15934%0.342CS..EExtended strand (participates in β ladder)trans-95.9141.6168.1-70.1-65.5174.500110.7L117 H171 L172 R174 I188 L232L117-E186 HydrophobicContact CD2-CB 3.82Å; L117-E186 HydrophobicContact CD2-CG 3.58Å; H171-E186 CarbonylContact C-O 3.52Å; H171-E186 VanDerWaalsContact CA-O 3.28Å; H171-E186 WeakPolarHBondContact CA-O 3.47Å; L172-E186 PolarHBondContact N-O 3.44Å; L172-E186 PolarHBondContact O-N 3.43Å; R174-E186 HydrophobicContact CG-CG 3.9Å; R174-E186 IonicContact CZ-OE1 3.18Å; R174-E186 IonicContact NE-OE1 3.56Å; R174-E186 VanDerWaalsContact NH1-CG 3.31Å; R174-E186 IonicContact NH1-OE1 2.74Å; R174-E186 PolarHBondContact NH1-OE1 3.13Å; E186-I188 HydrophobicContact CB-CG2 4.11Å; E186-L232 HydrophobicContact CG-CD2 4.31Å
187Y95.4Very high87.1Confident99 Ų9972.8 Ų72.839%0.38836%0.355SS..EExtended strand (participates in β ladder)trans-81.1121.7168.2-169.5-121.5000109.4Y169 H171 A233Y169-Y187 VanDerWaalsContact CB-OH 3.24Å; Y169-Y187 WeakPolarHBondContact CB-OH 3.34Å; Y169-Y187 AromaticContact CD1-CE1 3.84Å; Y169-Y187 HydrophobicContact CD1-CE1 3.84Å; Y169-Y187 HydrophobicContact CG-CE1 4.31Å; Y169-Y187 AromaticContact CG-CZ 4Å; 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 3.67Å; Y187-A233 HydrophobicContact CE1-CB 4.46Å; Y187-A233 HydrophobicContact CG-CB 4.43Å; Y187-A233 VanDerWaalsContact O-CB 3.24Å; Y187-A233 WeakPolarHBondContact O-CB 3.34Å; Y187-A233 PolarHBondContact O-N 3.37Å
188I95.9Very high85.8Confident0 Ų075.7 Ų75.70%037%0.37CS..EExtended strand (participates in β ladder)trans-126.8151.9-171.959160.2000111.9Y169 C170 L172 E186 F190 V230 R231 L232Y169-I188 VanDerWaalsContact CA-O 3.23Å; Y169-I188 WeakPolarHBondContact CA-O 3.44Å; C170-I188 PolarHBondContact N-O 2.94Å; C170-I188 VanDerWaalsContact O-CG1 3.26Å; C170-I188 WeakPolarHBondContact O-CG1 3.33Å; C170-I188 PolarHBondContact O-N 3.32Å; L172-I188 HydrophobicContact CB-CD1 3.51Å; L172-I188 HydrophobicContact CB-CG1 4.01Å; L172-I188 HydrophobicContact CD2-CD1 3.57Å; L172-I188 HydrophobicContact CG-CD1 4.07Å; E186-I188 HydrophobicContact CB-CG2 4.11Å; I188-F190 HydrophobicContact CD1-CD2 4.15Å; I188-F190 HydrophobicContact CD1-CE2 3.32Å; I188-F190 HydrophobicContact CD1-CZ 3.83Å; I188-F190 HydrophobicContact CG1-CE2 4.03Å; I188-V230 HydrophobicContact CB-CG1 3.95Å; I188-V230 HydrophobicContact CD1-CG1 3.52Å; I188-V230 HydrophobicContact CG1-CG1 4.3Å; I188-V230 HydrophobicContact CG2-CG1 4.37Å; I188-R231 CarbonylContact C-O 3.57Å; I188-R231 WeakPolarHBondContact CA-O 3.26Å; I188-L232 HydrophobicContact CG2-CD1 4.06Å; I188-L232 HydrophobicContact CG2-CG 4.22Å
189K96.1Very high84.2Confident39 Ų3980 Ų8017%0.1739%0.394CS..EExtended strand (participates in β ladder)trans-106128.7171.6-168.1-173.3-171.2-167.20110E167 F168 Y169 V191 V230 R231E167-K189 VanDerWaalsContact CD-CE 3.43Å; E167-K189 WeakPolarHBondContact OE1-CE 3.32Å; E167-K189 IonicContact OE1-NZ 3.73Å; E167-K189 PolarHBondContact OE1-NZ 3.43Å; E167-K189 VanDerWaalsContact OE2-CE 3.25Å; E167-K189 WeakPolarHBondContact OE2-CE 3.48Å; E167-K189 IonicContact OE2-NZ 3.24Å; E167-K189 PolarHBondContact OE2-NZ 2.89Å; F168-K189 WeakPolarHBondContact O-CA 3.34Å; Y169-K189 HydrophobicContact CD1-CB 3.72Å; Y169-K189 HydrophobicContact CD1-CG 3.9Å; Y169-K189 HydrophobicContact CE1-CB 3.55Å; Y169-K189 HydrophobicContact CE1-CD 3.83Å; Y169-K189 HydrophobicContact CE1-CG 3.52Å; Y169-K189 HydrophobicContact CE2-CD 4.44Å; Y169-K189 HydrophobicContact CE2-CG 4.2Å; Y169-K189 HydrophobicContact CG-CG 4.4Å; Y169-K189 WeakPolarHBondContact OH-CD 3.45Å; Y169-K189 WeakPolarHBondContact OH-CE 3.37Å; K189-V191 HydrophobicContact CD-CG2 3.66Å; K189-V191 HydrophobicContact CG-CG2 3.98Å; K189-V230 CarbonylContact O-C 3.55Å; K189-V230 WeakPolarHBondContact O-CA 3.49Å; K189-R231 PolarHBondContact N-O 2.89Å; K189-R231 PolarHBondContact O-N 2.98Å
190F95.8Very high82.6Confident0 Ų077.4 Ų77.40%038%0.375CS..EExtended strand (participates in β ladder)trans-91.5134.2163-70.6-108000109.1I98 L129 E167 F168 C170 I188 F226 A228 V230I98-F190 HydrophobicContact CG2-CD1 4.22Å; I98-F190 HydrophobicContact CG2-CE1 3.86Å; L129-F190 HydrophobicContact CD1-CZ 4.33Å; L129-F190 HydrophobicContact CD2-CZ 4.34Å; E167-F190 VanDerWaalsContact CA-O 3.3Å; E167-F190 WeakPolarHBondContact CA-O 3.31Å; F168-F190 HydrophobicContact CD1-CB 3.99Å; F168-F190 HydrophobicContact CD2-CB 4.41Å; F168-F190 AromaticContact CD2-CD2 3.95Å; F168-F190 HydrophobicContact CD2-CD2 3.95Å; F168-F190 HydrophobicContact CD2-CG 4.38Å; F168-F190 HydrophobicContact CE1-CB 3.77Å; F168-F190 HydrophobicContact CE1-CD1 4.33Å; F168-F190 HydrophobicContact CE1-CD2 4.4Å; F168-F190 AromaticContact CE1-CG 3.93Å; F168-F190 HydrophobicContact CE1-CG 3.93Å; F168-F190 HydrophobicContact CE2-CB 4.17Å; F168-F190 HydrophobicContact CE2-CD1 4.41Å; F168-F190 AromaticContact CE2-CD2 3.35Å; F168-F190 HydrophobicContact CE2-CD2 3.35Å; F168-F190 AromaticContact CE2-CE2 3.75Å; F168-F190 HydrophobicContact CE2-CE2 3.75Å; F168-F190 AromaticContact CE2-CG 3.74Å; F168-F190 HydrophobicContact CE2-CG 3.74Å; F168-F190 HydrophobicContact CE2-CZ 4.42Å; F168-F190 HydrophobicContact CG-CB 4.32Å; F168-F190 HydrophobicContact CZ-CB 3.85Å; F168-F190 AromaticContact CZ-CD1 3.83Å; F168-F190 HydrophobicContact CZ-CD1 3.83Å; F168-F190 AromaticContact CZ-CD2 3.62Å; F168-F190 HydrophobicContact CZ-CD2 3.62Å; F168-F190 HydrophobicContact CZ-CE1 4.24Å; F168-F190 HydrophobicContact CZ-CE2 4.08Å; 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 4.38Å; F168-F190 PolarHBondContact N-O 2.98Å; F168-F190 PolarHBondContact O-N 2.94Å; C170-F190 WeakPolarHBondContact SG-CE2 3.31Å; I188-F190 HydrophobicContact CD1-CD2 4.15Å; I188-F190 HydrophobicContact CD1-CE2 3.32Å; I188-F190 HydrophobicContact CD1-CZ 3.83Å; 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 3.84Å; F190-F226 HydrophobicContact CD1-CE1 3.84Å; F190-F226 HydrophobicContact CG-CE1 4.34Å; F190-A228 HydrophobicContact CB-CB 4.44Å; F190-A228 HydrophobicContact CD1-CB 4.07Å; F190-V230 HydrophobicContact CD1-CG2 3.69Å; F190-V230 HydrophobicContact CE1-CG2 3.58Å; F190-V230 HydrophobicContact CG-CG2 4.25Å; F190-V230 HydrophobicContact CZ-CG2 4.02Å
191V93.5Very high80.8Confident49 Ų4976.3 Ų76.330%0.29738%0.382SS..EExtended strand (participates in β ladder)trans-132.7111.6170.1-177.60000107.6E167 K189 A228 T229E167-V191 HydrophobicContact CG-CG1 4.2Å; E167-V191 HydrophobicContact CG-CG2 4.21Å; E167-V191 WeakPolarHBondContact OE1-CG1 3Å; E167-V191 VanDerWaalsContact OE1-CG2 3.27Å; E167-V191 WeakPolarHBondContact OE1-CG2 3.16Å; K189-V191 HydrophobicContact CD-CG2 3.66Å; K189-V191 HydrophobicContact CG-CG2 3.98Å; V191-A228 CarbonylContact O-C 3.54Å; V191-A228 VanDerWaalsContact O-CA 3.31Å; V191-A228 WeakPolarHBondContact O-CA 3.39Å; V191-T229 PolarHBondContact N-O 3.02Å; V191-T229 PolarHBondContact O-N 2.92Å
192G92.1Very high78.6Confident7 Ų775.8 Ų75.87%0.07239%0.392CS..EExtended strand (participates in β ladder)trans-165.2-175.9-171.400000114.8D165 L166 F226 I227D165-G192 CarbonylContact C-O 3.53Å; D165-G192 WeakPolarHBondContact CA-O 3.46Å; L166-G192 PolarHBondContact N-O 3.03Å; L166-G192 PolarHBondContact O-N 3.49Å; L166-G192 VanDerWaalsContact O-N 3.08Å; G192-F226 VanDerWaalsContact C-CE2 3.46Å; G192-I227 CarbonylContact C-O 3.57Å; G192-I227 WeakPolarHBondContact CA-O 3.45Å
193N88.3Confident76.5Confident29 Ų2971.1 Ų71.116%0.15538%0.38CS..EExtended strand (participates in β ladder)trans-143.4153.1175.13966.7000111.7S164 D165 R195 I227S164-N193 WeakPolarHBondContact O-CA 3.49Å; S164-N193 WeakPolarHBondContact O-CB 3.25Å; D165-N193 WeakPolarHBondContact OD1-CB 3.2Å; D165-N193 PolarHBondContact OD1-ND2 3.36Å; N193-R195 VanDerWaalsContact OD1-CZ 3.22Å; N193-R195 PolarHBondContact OD1-NE 3.04Å; N193-R195 PolarHBondContact OD1-NH2 2.77Å; N193-I227 PolarHBondContact N-O 2.8Å; N193-I227 PolarHBondContact O-N 2.81Å
194F86.7Confident74Confident27 Ų2772 Ų7212%0.11839%0.388CS..EExtended strand (participates in β ladder)trans-77.5135.4175.4-69-88.3000111T102 H148 L166 V224 C225 F226T102-F194 HydrophobicContact CG2-CE1 4.35Å; H148-F194 HydrophobicContact CB-CD1 3.9Å; H148-F194 HydrophobicContact CB-CD2 3.77Å; H148-F194 HydrophobicContact CB-CE1 3.84Å; H148-F194 HydrophobicContact CB-CE2 3.71Å; H148-F194 HydrophobicContact CB-CG 3.85Å; H148-F194 HydrophobicContact CB-CZ 3.74Å; H148-F194 AromaticContact CD2-CD2 3.4Å; H148-F194 VanDerWaalsContact CD2-CD2 3.4Å; H148-F194 WeakPolarHBondContact CD2-CD2 3.45Å; H148-F194 AromaticContact CD2-CG 3.52Å; H148-F194 AromaticContact CG-CD1 3.94Å; H148-F194 AromaticContact CG-CD2 3.67Å; H148-F194 AromaticContact CG-CG 3.54Å; L166-F194 HydrophobicContact CB-CE2 4.48Å; L166-F194 HydrophobicContact CD2-CE2 3.54Å; L166-F194 HydrophobicContact CD2-CZ 3.89Å; F194-V224 HydrophobicContact CB-CG1 4Å; F194-V224 HydrophobicContact CD1-CG1 4.03Å; F194-V224 HydrophobicContact CG-CG1 4.48Å; F194-C225 CarbonylContact C-O 3.57Å; F194-C225 WeakPolarHBondContact CA-O 3.22Å; F194-F226 HydrophobicContact CD1-CB 3.9Å; F194-F226 HydrophobicContact CD2-CD2 4.28Å; F194-F226 HydrophobicContact CE1-CB 3.76Å; F194-F226 HydrophobicContact CE1-CD2 4.47Å; F194-F226 HydrophobicContact CE1-CG 4.42Å; F194-F226 HydrophobicContact CE2-CD2 4.22Å; F194-F226 HydrophobicContact CG-CD2 4.44Å; F194-F226 HydrophobicContact CZ-CB 4.31Å; F194-F226 HydrophobicContact CZ-CD2 4.32Å
195R81.6Confident71.3Confident143 Ų14373.8 Ų73.854%0.5440%0.402SS..EExtended strand (participates in β ladder)trans-132.8135.5178-60.3-165.8-179.3-116.4-13.5110.9N193 V224 C225 I227N193-R195 VanDerWaalsContact OD1-CZ 3.22Å; N193-R195 PolarHBondContact OD1-NE 3.04Å; N193-R195 PolarHBondContact OD1-NH2 2.77Å; R195-V224 WeakPolarHBondContact O-CA 3.18Å; R195-C225 PolarHBondContact N-O 3.3Å; R195-C225 PolarHBondContact O-N 3.03Å; R195-I227 HydrophobicContact CB-CD1 4.4Å
196S76.5Confident68.7Low59 Ų5977.5 Ų77.541%0.41343%0.428SS..EExtended strand (participates in β ladder)trans-86.1121.2174.5-47.90000110.6E223S196-E223 CarbonylContact C-O 3.48Å; S196-E223 WeakPolarHBondContact CA-O 2.8Å
197Y67.6Low65.9Low150 Ų15078.9 Ų78.959%0.58845%0.451SS*.  trans-98.9163.3174.4-145.4-105.9000112.1V200 K222 E223Y197-V200 HydrophobicContact CD1-CG2 4.43Å; Y197-K222 WeakPolarHBondContact O-CA 3.36Å; Y197-E223 PolarHBondContact N-O 3.2Å
198N53.7Low62.8Low93 Ų9384 Ų8450%0.49748%0.476SS..SBendtrans-127.9123.7174.7-58.1-100.3000108.2
199N45.8Very low60.2Low154 Ų15490.5 Ų90.582%0.82451%0.51SS*.  trans68.580-175.3-35.3-81.2000113.8
200V42.3Very low57.1Low57 Ų5796 Ų9635%0.34554%0.542SS..PPolyproline II helixtrans-86.6133.8153.1-177.90000107.3Y197 S202 E223Y197-V200 HydrophobicContact CD1-CG2 4.43Å; V200-S202 PolarHBondContact O-N 3.28Å; V200-E223 WeakPolarHBondContact CB-OE2 3.49Å; V200-E223 VanDerWaalsContact CG2-OE2 3.3Å; V200-E223 WeakPolarHBondContact CG2-OE2 3.46Å
201P41.3Very low54.4Low119 Ų119101 Ų10177%0.77357%0.573SS**PPolyproline II helixtrans-67.5116.2165.9-10.826.6000107.8
202S40.3Very low51.8Low107 Ų107107 Ų10775%0.74860%0.602SS**PPolyproline II helixtrans-55.5123.5-17756.30000110.8V200 S204V200-S202 PolarHBondContact O-N 3.28Å; S202-S204 PolarHBondContact O-N 3.46Å
203P42.1Very low49Very low81 Ų81112.3 Ų112.353%0.52664%0.638SS.*PPolyproline II helixtrans-59.2130.9176.923.8-32.8000109.3C205P203-C205 VanDerWaalsContact C-N 3.29Å; P203-C205 PolarHBondContact O-N 2.53Å; P203-C205 PolarHBondContact O-SG 3.08Å
204S36.6Very low46.2Very low107 Ų107121.9 Ų121.975%0.74867%0.672SS**  trans-80.380.1179.557.90000109.6S202 N206S202-S204 PolarHBondContact O-N 3.46Å; S204-N206 PolarHBondContact O-N 3.08Å
205C37.1Very low43.8Very low112 Ų112126.6 Ų126.676%0.75771%0.705SS**  trans-58.399.9-176-55.40000111.9P203 G207P203-C205 VanDerWaalsContact C-N 3.29Å; P203-C205 PolarHBondContact O-N 2.53Å; P203-C205 PolarHBondContact O-SG 3.08Å; C205-G207 VanDerWaalsContact C-N 3.32Å; C205-G207 PolarHBondContact O-N 3.2Å
206N40.1Very low41.5Very low162 Ų162124.8 Ų124.887%0.86671%0.713SS**  trans-79.779.6176.8-89.4-25.6000111.4S204S204-N206 PolarHBondContact O-N 3.08Å
207G35.8Very low39.4Very low63 Ų63133.2 Ų133.265%0.64974%0.736SS**  trans79.7104.8150.600000117.7C205C205-G207 VanDerWaalsContact C-N 3.32Å; C205-G207 PolarHBondContact O-N 3.2Å
208F29.4Very low37.8Very low207 Ų207131.7 Ų131.791%0.90874%0.742SS**  -147.1144103.2-132.2-98.6000110.3
209D41Very low37Very low135 Ų135132.3 Ų132.372%0.72275%0.751SS**  trans-85.6121.6174-173.44.9000108.5
210N31.8Very low37.1Very low155 Ų155134.2 Ų134.283%0.82976%0.76SS**  trans-140.5122.2171.2-152.711.3000109.6
211T38Very low37.3Very low106 Ų106134.4 Ų134.465%0.6577%0.774SS**  trans-89.4158-166.546.10000112.3
212L39Very low38Very low174 Ų174135.5 Ų135.591%0.91177%0.766SS**  trans81.862.3171.9-53.5167.2000118.5
213S33.3Very low39.5Very low118 Ų118134.6 Ų134.683%0.82575%0.75SS**  trans-146.9119.1136.263.30000114.6
214R31.3Very low41.4Very low231 Ų231131.2 Ų131.287%0.87273%0.728SS**  trans4.7115.5163.2-171.2-179.2-171.8-178.91.7118.1C216R214-C216 PolarHBondContact O-N 2.97Å
215P34.9Very low43.9Very low126 Ų126126.5 Ų126.582%0.81870%0.695SS**  trans-74.185.7174.931.8-35.5000112R217P215-R217 VanDerWaalsContact C-N 3.3Å; P215-R217 PolarHBondContact O-N 2.91Å
216C32.8Very low46.6Very low105 Ų105121.2 Ų121.271%0.70966%0.659SS**  trans-72.690.7160.4-168.90000108.1R214 V218R214-C216 PolarHBondContact O-N 2.97Å; C216-V218 PolarHBondContact O-N 2.89Å
217R32.7Very low49.1Very low236 Ų236116.3 Ų116.389%0.89163%0.632SS**  trans-72.979.3-179.1-165.4-173.2-157.5-176.88.2109.9P215P215-R217 VanDerWaalsContact C-N 3.3Å; P215-R217 PolarHBondContact O-N 2.91Å
218V35.4Very low51.9Low118 Ų118113.5 Ų113.572%0.71560%0.603SS**  trans-51.7128.6175.5-171.10000108.2C216C216-V218 PolarHBondContact O-N 2.89Å
219P36.5Very low55.1Low106 Ų106105.9 Ų105.969%0.68857%0.574SS**  trans-59.2150.5178.7-24.134.4000111.3G221P219-G221 WeakPolarHBondContact O-CA 3.42Å; P219-G221 PolarHBondContact O-N 3.42Å
220L47.3Very low57.7Low194 Ų19499.5 Ų99.5100%1.01654%0.539SS*.SBendtrans-60.198.2173.1-162.581.2000108.7
221G47.3Very low60.8Low61 Ų6196.7 Ų96.763%0.62952%0.517SS*.  trans-166.9170.8-155.900000112P219 E223P219-G221 WeakPolarHBondContact O-CA 3.42Å; P219-G221 PolarHBondContact O-N 3.42Å; G221-E223 PolarHBondContact O-N 3.12Å; G221-E223 VanDerWaalsContact O-N 3.09Å
222K55.9Low63.4Low141 Ų14192.1 Ų92.161%0.61349%0.489SS*.  trans-56.8112.1-168.9-65.1172.4-176.31760112.1Y197Y197-K222 WeakPolarHBondContact O-CA 3.36Å
223E71.3Confident65.8Low89 Ų8986.4 Ų86.442%0.41647%0.467SS..  trans-72.5146.4167.6-167.6157.3-141.600109.5S196 Y197 V200 G221S196-E223 CarbonylContact C-O 3.48Å; S196-E223 WeakPolarHBondContact CA-O 2.8Å; Y197-E223 PolarHBondContact N-O 3.2Å; V200-E223 WeakPolarHBondContact CB-OE2 3.49Å; V200-E223 VanDerWaalsContact CG2-OE2 3.3Å; V200-E223 WeakPolarHBondContact CG2-OE2 3.46Å; G221-E223 PolarHBondContact O-N 3.12Å; G221-E223 VanDerWaalsContact O-N 3.09Å
224V82.3Confident68.3Low9 Ų984.9 Ų84.96%0.05545%0.452CS..EExtended strand (participates in β ladder)trans-119.9125.2-178-176.80000108.6T102 M149 F194 R195T102-V224 HydrophobicContact CG2-CB 4.31Å; T102-V224 HydrophobicContact CG2-CG1 4.49Å; T102-V224 PolarHBondContact N-O 3.29Å; M149-V224 HydrophobicContact CE-CB 3.91Å; M149-V224 HydrophobicContact CE-CG1 4.46Å; M149-V224 HydrophobicContact CE-CG2 3.78Å; F194-V224 HydrophobicContact CB-CG1 4Å; F194-V224 HydrophobicContact CD1-CG1 4.03Å; F194-V224 HydrophobicContact CG-CG1 4.48Å; R195-V224 WeakPolarHBondContact O-CA 3.18Å
225C89.8Confident70.7Confident8 Ų877.2 Ų77.25%0.05443%0.433CS..EExtended strand (participates in β ladder)trans-113.8143.1172.356.50000110.5V100 I107 F194 R195V100-C225 CarbonylContact O-C 3.44Å; V100-C225 WeakPolarHBondContact O-CA 3.41Å; V100-C225 WeakPolarHBondContact O-CB 3.27Å; I107-C225 HydrophobicContact CD1-CB 3.83Å; F194-C225 CarbonylContact C-O 3.57Å; F194-C225 WeakPolarHBondContact CA-O 3.22Å; R195-C225 PolarHBondContact N-O 3.3Å; R195-C225 PolarHBondContact O-N 3.03Å
226F91.9Very high72.8Confident1 Ų173 Ų730%0.00440%0.402CS..EExtended strand (participates in β ladder)trans-79.7119.6161.4179.6-125.5000107.8A99 V100 L145 L166 F168 F190 G192 F194 A228A99-F226 WeakPolarHBondContact CA-O 3.4Å; V100-F226 PolarHBondContact N-O 2.97Å; V100-F226 PolarHBondContact O-N 2.92Å; L145-F226 HydrophobicContact CD2-CB 3.98Å; L145-F226 HydrophobicContact CD2-CD1 3.98Å; L145-F226 HydrophobicContact CD2-CG 4.24Å; L166-F226 HydrophobicContact CB-CE2 3.85Å; L166-F226 HydrophobicContact CB-CZ 4.38Å; L166-F226 HydrophobicContact CD2-CD2 4.07Å; L166-F226 HydrophobicContact CD2-CE2 3.67Å; L166-F226 HydrophobicContact CD2-CZ 3.92Å; L166-F226 HydrophobicContact CG-CE2 3.93Å; L166-F226 HydrophobicContact CG-CZ 4.06Å; F168-F226 HydrophobicContact CD1-CE1 4.44Å; F168-F226 HydrophobicContact CD1-CZ 4.44Å; F168-F226 HydrophobicContact CE1-CD1 4.3Å; F168-F226 AromaticContact CE1-CE1 3.48Å; F168-F226 HydrophobicContact CE1-CE1 3.48Å; F168-F226 VanDerWaalsContact CE1-CE1 3.48Å; F168-F226 AromaticContact CE1-CZ 3.89Å; F168-F226 HydrophobicContact CE1-CZ 3.89Å; F168-F226 HydrophobicContact CZ-CE1 4.11Å; F190-F226 HydrophobicContact CB-CE1 4.08Å; F190-F226 HydrophobicContact CB-CZ 4.27Å; F190-F226 AromaticContact CD1-CE1 3.84Å; F190-F226 HydrophobicContact CD1-CE1 3.84Å; F190-F226 HydrophobicContact CG-CE1 4.34Å; G192-F226 VanDerWaalsContact C-CE2 3.46Å; F194-F226 HydrophobicContact CD1-CB 3.9Å; F194-F226 HydrophobicContact CD2-CD2 4.28Å; F194-F226 HydrophobicContact CE1-CB 3.76Å; F194-F226 HydrophobicContact CE1-CD2 4.47Å; F194-F226 HydrophobicContact CE1-CG 4.42Å; F194-F226 HydrophobicContact CE2-CD2 4.22Å; F194-F226 HydrophobicContact CG-CD2 4.44Å; F194-F226 HydrophobicContact CZ-CB 4.31Å; F194-F226 HydrophobicContact CZ-CD2 4.32Å; F226-A228 HydrophobicContact CD1-CB 4.19Å; F226-A228 HydrophobicContact CE1-CB 3.58Å; F226-A228 HydrophobicContact CE2-CB 4.38Å; F226-A228 HydrophobicContact CZ-CB 3.69Å
227I93.2Very high74.8Confident60 Ų6076.4 Ų76.431%0.30841%0.405SS..EExtended strand (participates in β ladder)trans-109.5122.5174.8-53.9-174.2000107.6A99 G192 N193 R195A99-I227 HydrophobicContact CB-CG1 4.01Å; G192-I227 CarbonylContact C-O 3.57Å; G192-I227 WeakPolarHBondContact CA-O 3.45Å; N193-I227 PolarHBondContact N-O 2.8Å; N193-I227 PolarHBondContact O-N 2.81Å; R195-I227 HydrophobicContact CB-CD1 4.4Å
228A94.8Very high77Confident4 Ų468.7 Ų68.73%0.03338%0.381CS..EExtended strand (participates in β ladder)trans-138147.9-173.300000112.8I97 I98 F190 V191 F226I97-A228 WeakPolarHBondContact CA-O 3.28Å; I98-A228 HydrophobicContact CG2-CB 4.27Å; I98-A228 PolarHBondContact N-O 3.41Å; I98-A228 PolarHBondContact O-N 3.43Å; F190-A228 HydrophobicContact CB-CB 4.44Å; F190-A228 HydrophobicContact CD1-CB 4.07Å; V191-A228 CarbonylContact O-C 3.54Å; V191-A228 VanDerWaalsContact O-CA 3.31Å; V191-A228 WeakPolarHBondContact O-CA 3.39Å; F226-A228 HydrophobicContact CD1-CB 4.19Å; F226-A228 HydrophobicContact CE1-CB 3.58Å; F226-A228 HydrophobicContact CE2-CB 4.38Å; F226-A228 HydrophobicContact CZ-CB 3.69Å
229T96.1Very high78.9Confident47 Ų4764.2 Ų64.229%0.28835%0.352SS..EExtended strand (participates in β ladder)trans-83.6115.5155.2-55.10000107.3L90 V191 R231L90-T229 HydrophobicContact CD2-CG2 3.93Å; V191-T229 PolarHBondContact N-O 3.02Å; V191-T229 PolarHBondContact O-N 2.92Å; T229-R231 HydrophobicContact CG2-CG 4.13Å
230V96.6Very high81Confident0 Ų061 Ų610%033%0.328CS..EExtended strand (participates in β ladder)trans-82.6142.5166.5-1770000108.5G95 F96 I98 I188 K189 F190G95-V230 CarbonylContact C-O 3.54Å; G95-V230 WeakPolarHBondContact CA-O 3.23Å; F96-V230 HydrophobicContact CD1-CB 3.99Å; F96-V230 HydrophobicContact CD1-CG1 4.15Å; F96-V230 HydrophobicContact CD2-CB 4.09Å; F96-V230 HydrophobicContact CD2-CG2 4.23Å; F96-V230 HydrophobicContact CE1-CB 3.69Å; F96-V230 HydrophobicContact CE1-CG1 3.44Å; F96-V230 VanDerWaalsContact CE1-CG1 3.44Å; F96-V230 HydrophobicContact CE1-CG2 4.44Å; F96-V230 HydrophobicContact CE2-CB 3.79Å; F96-V230 HydrophobicContact CE2-CG1 4.2Å; F96-V230 HydrophobicContact CE2-CG2 3.71Å; F96-V230 HydrophobicContact CG-CB 4.19Å; F96-V230 HydrophobicContact CZ-CB 3.6Å; F96-V230 HydrophobicContact CZ-CG1 3.48Å; F96-V230 VanDerWaalsContact CZ-CG1 3.48Å; F96-V230 HydrophobicContact CZ-CG2 3.84Å; F96-V230 PolarHBondContact N-O 2.87Å; F96-V230 PolarHBondContact O-N 3.5Å; I98-V230 HydrophobicContact CB-CG2 4.25Å; I98-V230 HydrophobicContact CG2-CG2 3.53Å; I188-V230 HydrophobicContact CB-CG1 3.95Å; I188-V230 HydrophobicContact CD1-CG1 3.52Å; I188-V230 HydrophobicContact CG1-CG1 4.3Å; I188-V230 HydrophobicContact CG2-CG1 4.37Å; K189-V230 CarbonylContact O-C 3.55Å; K189-V230 WeakPolarHBondContact O-CA 3.49Å; F190-V230 HydrophobicContact CD1-CG2 3.69Å; F190-V230 HydrophobicContact CE1-CG2 3.58Å; F190-V230 HydrophobicContact CG-CG2 4.25Å; F190-V230 HydrophobicContact CZ-CG2 4.02Å
231R95.5Very high82.1Confident97 Ų9755.5 Ų55.537%0.36630%0.298SS..EExtended strand (participates in β ladder)trans-137.2141.6174.6-62-17959.3-162.8-4.8110.6L93 D94 I188 K189 T229L93-R231 HydrophobicContact CB-CG 4.47Å; L93-R231 PolarHBondContact O-NE 3.1Å; L93-R231 PolarHBondContact O-NH2 2.96Å; D94-R231 WeakPolarHBondContact O-CA 3.39Å; I188-R231 CarbonylContact C-O 3.57Å; I188-R231 WeakPolarHBondContact CA-O 3.26Å; K189-R231 PolarHBondContact N-O 2.89Å; K189-R231 PolarHBondContact O-N 2.98Å; T229-R231 HydrophobicContact CG2-CG 4.13Å
232L93.6Very high82.8Confident10 Ų1053.6 Ų53.65%0.05228%0.275CS..EExtended strand (participates in β ladder)trans-69.6139.9170.1-83.160.3000110D94 L116 L117 E186 I188 T234 Q236D94-L232 HydrophobicContact CB-CB 4.34Å; D94-L232 PolarHBondContact O-N 3.22Å; L116-L232 HydrophobicContact CB-CD1 4Å; L116-L232 HydrophobicContact CB-CD2 4.44Å; L116-L232 HydrophobicContact CD1-CD1 4.32Å; L116-L232 HydrophobicContact CD2-CD1 4.43Å; L116-L232 HydrophobicContact CD2-CD2 4.35Å; L116-L232 HydrophobicContact CG-CD1 4.48Å; L117-L232 HydrophobicContact CD2-CD1 4.35Å; E186-L232 HydrophobicContact CG-CD2 4.31Å; I188-L232 HydrophobicContact CG2-CD1 4.06Å; I188-L232 HydrophobicContact CG2-CG 4.22Å; L232-T234 WeakPolarHBondContact CB-O 3.26Å; L232-Q236 VanDerWaalsContact CD2-CD 3.44Å; L232-Q236 HydrophobicContact CD2-CG 3.87Å
233A90.3Very high82.9Confident54 Ų5450.8 Ų50.845%0.44627%0.266SS..SBendtrans-77.7-29.3174.300000112Y187Y187-A233 HydrophobicContact CD1-CB 3.67Å; Y187-A233 HydrophobicContact CE1-CB 4.46Å; Y187-A233 HydrophobicContact CG-CB 4.43Å; Y187-A233 VanDerWaalsContact O-CB 3.24Å; Y187-A233 WeakPolarHBondContact O-CB 3.34Å; Y187-A233 PolarHBondContact O-N 3.37Å
234T84.5Confident82.3Confident85 Ų8549.2 Ų49.252%0.52126%0.262SS..SBendtrans-94.1119.5172.2-530000109.1L232L232-T234 WeakPolarHBondContact CB-O 3.26Å
235P82.5Confident81.1Confident71 Ų7156 Ų5646%0.46130%0.298SS..  trans-72.9143-176.128.2-34.4000112.7D94 F237D94-P235 WeakPolarHBondContact OD2-CA 3.48Å; D94-P235 WeakPolarHBondContact OD2-CB 3.04Å; P235-F237 HydrophobicContact CB-CE2 4.31Å; P235-F237 HydrophobicContact CB-CZ 4.2Å; P235-F237 HydrophobicContact CG-CE2 3.97Å; P235-F237 HydrophobicContact CG-CZ 4Å
236Q79.6Confident79.9Confident37 Ų3762.8 Ų62.817%0.17333%0.329CS..  trans-112.788.1-176.2-69.8-166.1-16.300111.8D94 L232 L238 K239D94-Q236 PolarHBondContact OD2-N 3.34Å; L232-Q236 VanDerWaalsContact CD2-CD 3.44Å; L232-Q236 HydrophobicContact CD2-CG 3.87Å; Q236-L238 PolarHBondContact O-N 2.95Å; Q236-K239 HydrophobicContact CB-CG 4.29Å; Q236-K239 WeakPolarHBondContact O-CE 3.3Å
237F74.5Confident78.2Confident177 Ų17768.4 Ų68.478%0.77637%0.365SS*.SBendtrans-68.4-9.5-179.7-57.7-76000115.6P235P235-F237 HydrophobicContact CB-CE2 4.31Å; P235-F237 HydrophobicContact CB-CZ 4.2Å; P235-F237 HydrophobicContact CG-CE2 3.97Å; P235-F237 HydrophobicContact CG-CZ 4Å
238L77.4Confident76.6Confident74 Ų7471.4 Ų71.439%0.38738%0.381SS..SBendtrans-140.8112.8-177-135.171.9000107.2Q236 L317 Q321 W323Q236-L238 PolarHBondContact O-N 2.95Å; L238-L317 HydrophobicContact CD1-CD1 4.18Å; L238-L317 HydrophobicContact CD2-CD1 4.45Å; L238-L317 HydrophobicContact CG-CD1 4.4Å; L238-Q321 HydrophobicContact CD1-CB 3.84Å; L238-Q321 VanDerWaalsContact CD1-O 3.22Å; L238-Q321 WeakPolarHBondContact CD1-O 3.18Å; L238-W323 HydrophobicContact CD2-CZ2 3.62Å; L238-W323 VanDerWaalsContact CD2-NE1 3.32Å
239K76.8Confident75.6Confident23 Ų2374.3 Ų74.310%0.139%0.394CS..EExtended strand (participates in β ladder)trans-123.6152.3-172.8-64.9176.9-172.8168.70111.2E91 D94 L116 Q236 Q322 W323E91-K239 PolarHBondContact O-NZ 2.99Å; D94-K239 WeakPolarHBondContact OD1-CE 3.49Å; D94-K239 IonicContact OD1-NZ 2.66Å; D94-K239 PolarHBondContact OD1-NZ 3.32Å; L116-K239 HydrophobicContact CD2-CD 4.35Å; Q236-K239 HydrophobicContact CB-CG 4.29Å; Q236-K239 WeakPolarHBondContact O-CE 3.3Å; K239-Q322 CarbonylContact O-C 3.54Å; K239-Q322 WeakPolarHBondContact O-CA 3.45Å; K239-W323 PolarHBondContact O-N 3.25Å
240E79Confident75.4Confident39 Ų3975.4 Ų75.418%0.18240%0.396CS..EExtended strand (participates in β ladder)trans-74.3146.5165.8-60.5-175.9-176.800109.8P115 R315 W323 W325P115-E240 WeakPolarHBondContact CB-O 3.5Å; E240-R315 WeakPolarHBondContact OE1-CD 3.41Å; E240-R315 IonicContact OE1-CZ 3.73Å; E240-R315 IonicContact OE1-NE 3.41Å; E240-R315 IonicContact OE1-NH1 3.61Å; E240-R315 PolarHBondContact OE1-NH1 3.11Å; E240-W323 CarbonylContact C-O 3.46Å; E240-W323 VanDerWaalsContact CA-O 3.3Å; E240-W323 WeakPolarHBondContact CA-O 3.42Å; E240-W323 HydrophobicContact CG-CB 4.04Å; E240-W325 PolarHBondContact OE2-NE1 3.37Å
241M71Confident75.4Confident78 Ų7875.4 Ų75.438%0.38440%0.396SS..EExtended strand (participates in β ladder)trans-95.7116.2171-17587.794.700107.8W323 I324M241-W323 PolarHBondContact N-O 3.36Å; M241-I324 HydrophobicContact CB-CG2 3.95Å
242C61.8Low75.5Confident22 Ų2272.1 Ų72.115%0.14939%0.387CS..  trans-107.4-16.2-174.8-56.50000114.4T114T114-C242 HydrophobicContact CG2-CB 3.8Å
243I58.2Low75.8Confident82 Ų8271.7 Ų71.742%0.42138%0.384SS..  trans-90.2123.1-179.8-56177.5000108.5D111D111-I243 HydrophobicContact CB-CD1 4.17Å; D111-I243 HydrophobicContact CB-CG1 4.26Å
244V58Low76.2Confident55 Ų5573 Ų7333%0.33338%0.378SS..  trans-122.5109.5-180174.70000107.3E249 V350V244-E249 HydrophobicContact CG1-CG 4.04Å; V244-E249 WeakPolarHBondContact CG1-OE1 3.46Å; V244-E249 WeakPolarHBondContact CG1-OE2 3.49Å; V244-V350 HydrophobicContact CG2-CG1 4.26Å
245D57.4Low76.8Confident151 Ų15169 Ų6981%0.80735%0.353SS*.  trans-146.259.5-177-164.220.6000112.6
246E65.1Low77.6Confident151 Ų15166.5 Ų66.571%0.70634%0.338SS*.  trans-160.7142.1154.4-112.4-161.2165.600110.6L248E246-L248 PolarHBondContact O-N 2.71Å
247P56.6Low78.4Confident120 Ų12069 Ų6978%0.77935%0.351SS*.SBendtrans-79.325.2-17333.3-36.8000115.1
248L59.2Low79.5Confident122 Ų12266.8 Ų66.864%0.63934%0.344SS*.  trans-128.846.5-180-88.395.6000112.9E246 E250E246-L248 PolarHBondContact O-N 2.71Å; L248-E250 PolarHBondContact O-N 2.77Å; L248-E250 VanDerWaalsContact O-N 3.08Å
249E73.8Confident80.5Confident66 Ų6663.8 Ų63.831%0.30833%0.327SS..  trans-67.62.7179.4-73.4173.9-100.500116.7V244 V350V244-E249 HydrophobicContact CG1-CG 4.04Å; V244-E249 WeakPolarHBondContact CG1-OE1 3.46Å; V244-E249 WeakPolarHBondContact CG1-OE2 3.49Å; E249-V350 HydrophobicContact CB-CB 3.9Å; E249-V350 HydrophobicContact CB-CG2 4.35Å; E249-V350 HydrophobicContact CG-CB 4.02Å; E249-V350 PolarHBondContact O-N 3.11Å
250E92.5Very high81.5Confident69 Ų6966.5 Ų66.532%0.32234%0.339SS..EExtended strand (participates in β ladder)trans-105.8131.7-175.5-162.4-143.688.300112.3L248 R267 T347 H348L248-E250 PolarHBondContact O-N 2.77Å; L248-E250 VanDerWaalsContact O-N 3.08Å; E250-R267 VanDerWaalsContact O-CD 3.27Å; E250-R267 WeakPolarHBondContact O-CD 3.28Å; E250-R267 PolarHBondContact O-NE 3.39Å; E250-R267 VanDerWaalsContact O-NE 3.17Å; E250-R267 PolarHBondContact O-NH1 3.28Å; E250-R267 IonicContact OE1-CZ 3.54Å; E250-R267 IonicContact OE1-NH1 2.92Å; E250-R267 PolarHBondContact OE1-NH1 3.37Å; E250-R267 IonicContact OE1-NH2 2.71Å; E250-R267 PolarHBondContact OE1-NH2 2.77Å; E250-T347 VanDerWaalsContact CD-CG2 3.43Å; E250-T347 HydrophobicContact CG-CG2 3.67Å; E250-T347 WeakPolarHBondContact OE2-CG2 3.26Å; E250-H348 VanDerWaalsContact CA-O 3.28Å; E250-H348 WeakPolarHBondContact CA-O 3.48Å; E250-H348 WeakPolarHBondContact CG-O 3.21Å
251F95.9Very high82.4Confident1 Ų164.8 Ų64.80%0.00433%0.331CS..EExtended strand (participates in β ladder)trans-130.2152.7166.469.9-86.9000112.2L264 R267 A268 I271 I272 L326 H348F251-L264 HydrophobicContact CD2-CD1 4.06Å; F251-L264 HydrophobicContact CE2-CD1 4.11Å; F251-R267 HydrophobicContact CB-CB 4.02Å; F251-A268 HydrophobicContact CB-CB 3.88Å; F251-A268 HydrophobicContact CD2-CB 3.48Å; F251-A268 VanDerWaalsContact CD2-CB 3.48Å; F251-A268 HydrophobicContact CE2-CB 4.12Å; F251-A268 HydrophobicContact CG-CB 3.76Å; F251-I271 HydrophobicContact CB-CD1 4.38Å; F251-I271 HydrophobicContact CD1-CB 4.48Å; F251-I271 HydrophobicContact CD1-CD1 3.99Å; F251-I271 HydrophobicContact CD1-CG2 4.27Å; F251-I271 HydrophobicContact CE1-CG2 4.23Å; F251-I272 HydrophobicContact CE1-CG2 4.08Å; F251-I272 HydrophobicContact CE2-CD1 4.22Å; F251-I272 HydrophobicContact CZ-CD1 4.3Å; F251-I272 HydrophobicContact CZ-CG2 3.96Å; F251-L326 HydrophobicContact CE1-CD1 4.11Å; F251-L326 HydrophobicContact CE1-CD2 4.12Å; F251-L326 HydrophobicContact CZ-CD1 3.94Å; F251-H348 HydrophobicContact CD1-CB 4Å; F251-H348 HydrophobicContact CD2-CB 4.27Å; F251-H348 AromaticContact CD2-CD2 3.58Å; F251-H348 HydrophobicContact CE1-CB 3.68Å; F251-H348 HydrophobicContact CE2-CB 3.98Å; F251-H348 AromaticContact CE2-CD2 3.25Å; F251-H348 WeakPolarHBondContact CE2-CD2 3.09Å; F251-H348 AromaticContact CE2-CG 3.72Å; F251-H348 AromaticContact CE2-NE2 3.97Å; F251-H348 HydrophobicContact CG-CB 4.29Å; F251-H348 HydrophobicContact CZ-CB 3.67Å; F251-H348 AromaticContact CZ-CD2 3.81Å; F251-H348 AromaticContact CZ-CG 3.76Å; F251-H348 PolarHBondContact N-O 2.89Å; F251-H348 PolarHBondContact O-CD2 2.96Å; F251-H348 PolarHBondContact O-N 2.97Å
252T98.1Very high83.8Confident28 Ų2865.4 Ų65.417%0.17234%0.335CS..EExtended strand (participates in β ladder)trans-111.3136.4179.7-57.20000111.5D265 R267 V345 C346T252-D265 WeakPolarHBondContact CB-OD2 3.13Å; T252-D265 PolarHBondContact N-OD2 2.87Å; T252-D265 WeakPolarHBondContact O-CB 3.5Å; T252-D265 PolarHBondContact O-N 3.06Å; T252-R267 PolarHBondContact OG1-NH2 3.18Å; T252-V345 HydrophobicContact CG2-CG1 4.12Å; T252-C346 WeakPolarHBondContact CA-O 3.22Å
253S98.7Very high85.5Confident0 Ų068 Ų680%034%0.344CS..EExtended strand (participates in β ladder)trans-124.9170.9167.177.60000111.2H255 F263 C346 H348S253-H255 PolarHBondContact OG-CD2 2.95Å; S253-H255 VanDerWaalsContact OG-CD2 3.31Å; S253-H255 PolarHBondContact OG-NE2 3.21Å; S253-H255 VanDerWaalsContact OG-NE2 3.13Å; S253-F263 CarbonylContact C-O 3.47Å; S253-F263 VanDerWaalsContact CA-O 3.23Å; S253-F263 WeakPolarHBondContact CA-O 3.3Å; S253-F263 WeakPolarHBondContact CB-O 3.3Å; S253-C346 PolarHBondContact N-O 3.38Å; S253-C346 PolarHBondContact O-N 2.65Å; S253-C346 WeakPolarHBondContact OG-CB 3.22Å; S253-H348 PolarHBondContact OG-NE2 2.81Å
254R98.8Very high87.4Confident83 Ų8364.4 Ų64.431%0.31333%0.326SS..EExtended strand (participates in β ladder)trans-132.3139163.8-58.6-178.1-77.9148.7-1.8109.7L262 F263 F343 I344 V345R254-L262 PolarHBondContact O-N 3.19Å; R254-F263 HydrophobicContact CB-CB 3.99Å; R254-F263 HydrophobicContact CG-CB 4.23Å; R254-F263 HydrophobicContact CG-CD1 4.17Å; R254-F263 PolarHBondContact N-O 3.32Å; R254-F263 PolarHBondContact O-N 3Å; R254-F343 HydrophobicContact CB-CD2 4.29Å; R254-F343 HydrophobicContact CG-CD2 4.26Å; R254-F343 HydrophobicContact CG-CE2 4.46Å; R254-I344 CarbonylContact C-O 3.56Å; R254-I344 WeakPolarHBondContact CA-O 3.37Å; R254-I344 WeakPolarHBondContact CB-O 3.39Å; R254-V345 HydrophobicContact CG-CG1 4.48Å; R254-V345 HydrophobicContact CG-CG2 4.16Å
255H98.8Very high89.3Confident0 Ų062.6 Ų62.60%031%0.314CS..EExtended strand (participates in β ladder)trans-116.9150.4-179.3-67.8-107.9000111.6S253 W259 K260 F261 F343 I344S253-H255 PolarHBondContact OG-CD2 2.95Å; S253-H255 VanDerWaalsContact OG-CD2 3.31Å; S253-H255 PolarHBondContact OG-NE2 3.21Å; S253-H255 VanDerWaalsContact OG-NE2 3.13Å; H255-W259 HydrophobicContact CB-CD2 4.49Å; H255-W259 HydrophobicContact CB-CE3 4.32Å; H255-W259 PolarHBondContact ND1-O 2.75Å; H255-K260 CarbonylContact C-O 3.56Å; H255-K260 VanDerWaalsContact CA-O 3.23Å; H255-K260 WeakPolarHBondContact CA-O 3.28Å; H255-F261 AromaticContact CE1-CD1 3.51Å; H255-F261 AromaticContact CE1-CE1 3.34Å; H255-F261 WeakPolarHBondContact CE1-CE1 3.29Å; H255-F261 AromaticContact CE1-CE2 3.95Å; H255-F261 AromaticContact CE1-CG 3.91Å; H255-F261 AromaticContact CE1-CZ 3.57Å; H255-F261 AromaticContact NE2-CD1 3.64Å; H255-F261 AromaticContact NE2-CE1 3.37Å; H255-F261 WeakPolarHBondContact NE2-CE1 3.16Å; H255-F261 AromaticContact NE2-CZ 3.99Å; H255-F343 WeakPolarHBondContact O-CA 3.34Å; H255-F343 WeakPolarHBondContact O-CB 3.27Å; H255-I344 HydrophobicContact CB-CB 4.45Å; H255-I344 HydrophobicContact CB-CD1 4.46Å; H255-I344 PolarHBondContact N-O 2.82Å; H255-I344 PolarHBondContact O-N 2.74Å
256S98.4Very high91.1Very high19 Ų1962.8 Ų62.813%0.13331%0.31CS..  trans-70.1169.516675.40000110.7E258 W259 K260 I344S256-E258 PolarHBondContact O-N 2.76Å; S256-E258 VanDerWaalsContact O-N 3.17Å; S256-E258 PolarHBondContact OG-N 3.36Å; S256-W259 WeakPolarHBondContact O-CA 3.47Å; S256-W259 PolarHBondContact O-N 2.94Å; S256-K260 PolarHBondContact N-O 2.91Å; S256-K260 PolarHBondContact OG-N 3.09Å; S256-I344 WeakPolarHBondContact O-CD1 3.25Å
257L96.9Very high92.5Very high88 Ų8858.9 Ų58.946%0.46129%0.289SS..THydrogen-bonded Turntrans-66.7-11.8173.1-49.9-179.2000112.9W259 P341 I344L257-W259 VanDerWaalsContact C-N 3.28Å; L257-P341 HydrophobicContact CD1-CB 4.08Å; L257-P341 HydrophobicContact CD1-CG 3.78Å; L257-P341 HydrophobicContact CD2-CB 4.02Å; L257-I344 HydrophobicContact CD2-CD1 3.92Å
258E96.8Very high94.4Very high132 Ų13253.1 Ų53.162%0.61725%0.252SS*.THydrogen-bonded Turntrans-90.412.5169-55.2-177.8161.900112.4S256 K260S256-E258 PolarHBondContact O-N 2.76Å; S256-E258 VanDerWaalsContact O-N 3.17Å; S256-E258 PolarHBondContact OG-N 3.36Å; E258-K260 HydrophobicContact CB-CD 4.34Å; E258-K260 HydrophobicContact CB-CG 4.43Å; E258-K260 PolarHBondContact O-N 3.37Å; E258-K260 WeakPolarHBondContact OE2-CE 3.18Å; E258-K260 IonicContact OE2-NZ 2.95Å; E258-K260 PolarHBondContact OE2-NZ 2.97Å
259W98.3Very high96.1Very high11 Ų1148.6 Ų48.64%0.04223%0.229CC..SBendtrans62.216.1-176.6-146.4-114.4000116.2H255 S256 L257 G284 Y285 Y288 H300 L303 Y330 I344H255-W259 HydrophobicContact CB-CD2 4.49Å; H255-W259 HydrophobicContact CB-CE3 4.32Å; H255-W259 PolarHBondContact ND1-O 2.75Å; S256-W259 WeakPolarHBondContact O-CA 3.47Å; S256-W259 PolarHBondContact O-N 2.94Å; L257-W259 VanDerWaalsContact C-N 3.28Å; W259-G284 PolarHBondContact O-N 3.49Å; W259-Y285 HydrophobicContact CB-CD2 4.15Å; W259-Y285 HydrophobicContact CB-CE2 3.7Å; W259-Y285 AromaticContact CD1-CD2 3.74Å; W259-Y285 AromaticContact CD1-CE2 3.56Å; W259-Y285 HydrophobicContact CG-CD2 4.23Å; W259-Y285 AromaticContact CG-CE2 3.73Å; W259-Y285 HydrophobicContact CG-CE2 3.73Å; W259-Y288 AromaticContact NE1-CE2 3.75Å; W259-Y288 AromaticContact NE1-CZ 3.75Å; W259-Y288 PolarHBondContact NE1-OH 3.48Å; W259-H300 AromaticContact CE2-CE1 3.53Å; W259-H300 AromaticContact CE2-ND1 3.9Å; W259-H300 AromaticContact CE2-NE2 3.73Å; W259-H300 AromaticContact CH2-CD2 3.74Å; W259-H300 AromaticContact CH2-NE2 3.83Å; W259-H300 AromaticContact CZ2-CD2 3.62Å; W259-H300 AromaticContact CZ2-CE1 3.54Å; W259-H300 AromaticContact CZ2-NE2 3.22Å; W259-H300 WeakPolarHBondContact CZ2-NE2 3.25Å; W259-H300 AromaticContact NE1-CE1 3.54Å; W259-L303 HydrophobicContact CH2-CD2 3.9Å; W259-L303 HydrophobicContact CZ3-CD2 3.85Å; W259-Y330 HydrophobicContact CH2-CD1 4.06Å; W259-Y330 HydrophobicContact CH2-CE1 4.48Å; W259-Y330 HydrophobicContact CZ2-CD1 4.46Å; W259-I344 HydrophobicContact CE3-CD1 3.99Å; W259-I344 HydrophobicContact CH2-CG2 4.13Å; W259-I344 HydrophobicContact CZ3-CB 4.14Å; W259-I344 HydrophobicContact CZ3-CD1 3.85Å; W259-I344 HydrophobicContact CZ3-CG1 3.89Å; W259-I344 HydrophobicContact CZ3-CG2 3.98Å
260K98.6Very high97Very high80 Ų8050.7 Ų50.735%0.34825%0.249SC..BIsolated β-bridgetrans-85.5140.9178.8-64168.4-177.8162.10112.2H255 S256 E258 L262 T282H255-K260 CarbonylContact C-O 3.56Å; H255-K260 VanDerWaalsContact CA-O 3.23Å; H255-K260 WeakPolarHBondContact CA-O 3.28Å; S256-K260 PolarHBondContact N-O 2.91Å; S256-K260 PolarHBondContact OG-N 3.09Å; E258-K260 HydrophobicContact CB-CD 4.34Å; E258-K260 HydrophobicContact CB-CG 4.43Å; E258-K260 PolarHBondContact O-N 3.37Å; E258-K260 WeakPolarHBondContact OE2-CE 3.18Å; E258-K260 IonicContact OE2-NZ 2.95Å; E258-K260 PolarHBondContact OE2-NZ 2.97Å; K260-L262 PolarHBondContact O-N 3.49Å; K260-T282 CarbonylContact C-O 3.57Å; K260-T282 WeakPolarHBondContact CA-O 3.37Å; K260-T282 WeakPolarHBondContact CB-O 3.38Å
261F98.8Very high96.9Very high3 Ų349.4 Ų49.41%0.01324%0.244CC..EExtended strand (participates in β ladder)trans-63.1127.6178.9-69.8-84.2000112.1H255 L264 V279 G281 T282 Y287 F316H255-F261 AromaticContact CE1-CD1 3.51Å; H255-F261 AromaticContact CE1-CE1 3.34Å; H255-F261 WeakPolarHBondContact CE1-CE1 3.29Å; H255-F261 AromaticContact CE1-CE2 3.95Å; H255-F261 AromaticContact CE1-CG 3.91Å; H255-F261 AromaticContact CE1-CZ 3.57Å; H255-F261 AromaticContact NE2-CD1 3.64Å; H255-F261 AromaticContact NE2-CE1 3.37Å; H255-F261 WeakPolarHBondContact NE2-CE1 3.16Å; H255-F261 AromaticContact NE2-CZ 3.99Å; F261-L264 HydrophobicContact CE1-CD1 4.45Å; F261-V279 HydrophobicContact CB-CG2 4.26Å; F261-V279 WeakPolarHBondContact CB-O 3.46Å; F261-V279 HydrophobicContact CD1-CG2 4.32Å; F261-V279 HydrophobicContact CD2-CB 3.95Å; F261-V279 HydrophobicContact CD2-CG2 4.18Å; F261-V279 HydrophobicContact CE2-CB 4.28Å; F261-V279 HydrophobicContact CG-CB 4.29Å; F261-V279 HydrophobicContact CG-CG2 4.02Å; F261-G281 PolarHBondContact O-N 2.71Å; F261-T282 PolarHBondContact N-O 3.15Å; 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 4.41Å
262L98.7Very high96.9Very high91 Ų9149.4 Ų49.448%0.47624%0.244SC..EExtended strand (participates in β ladder)trans-110.9-18.3172.9-62.9179.3000112.6R254 K260 L280 F343R254-L262 PolarHBondContact O-N 3.19Å; K260-L262 PolarHBondContact O-N 3.49Å; L262-L280 WeakPolarHBondContact O-CD2 3.39Å; L262-F343 HydrophobicContact CD1-CB 4.05Å
263F98.7Very high96.7Very high75 Ų7549.7 Ų49.733%0.32925%0.252SS..EExtended strand (participates in β ladder)trans-158.7146177.2172.7-98.8000109.9S253 R254 D265S253-F263 CarbonylContact C-O 3.47Å; S253-F263 VanDerWaalsContact CA-O 3.23Å; S253-F263 WeakPolarHBondContact CA-O 3.3Å; S253-F263 WeakPolarHBondContact CB-O 3.3Å; R254-F263 HydrophobicContact CB-CB 3.99Å; R254-F263 HydrophobicContact CG-CB 4.23Å; R254-F263 HydrophobicContact CG-CD1 4.17Å; R254-F263 PolarHBondContact N-O 3.32Å; R254-F263 PolarHBondContact O-N 3Å; F263-D265 HydrophobicContact CE1-CB 3.86Å; F263-D265 HydrophobicContact CZ-CB 3.92Å
264L98.6Very high96.7Very high8 Ų851 Ų514%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-137.7135168.2-170.374.4000107F251 F261 A268 I272 P276 V279F251-L264 HydrophobicContact CD2-CD1 4.06Å; F251-L264 HydrophobicContact CE2-CD1 4.11Å; F261-L264 HydrophobicContact CE1-CD1 4.45Å; L264-A268 HydrophobicContact CD1-CB 3.57Å; L264-A268 HydrophobicContact CD2-CB 3.64Å; L264-A268 HydrophobicContact CG-CB 3.5Å; L264-A268 VanDerWaalsContact CG-CB 3.5Å; L264-I272 HydrophobicContact CD1-CD1 4.45Å; L264-I272 HydrophobicContact CD2-CD1 4.33Å; L264-P276 HydrophobicContact CB-CB 4.13Å; L264-P276 HydrophobicContact CB-CG 4.27Å; L264-P276 HydrophobicContact CD2-CG 4.33Å; L264-V279 HydrophobicContact CB-CG2 4.4Å; L264-V279 HydrophobicContact CD2-CG2 3.95Å
265D97Very high96.6Very high17 Ų1750.9 Ų50.99%0.09126%0.262CS..  trans-78.4-178.3178.58114.4000113.2T252 F263 R267 A268T252-D265 WeakPolarHBondContact CB-OD2 3.13Å; T252-D265 PolarHBondContact N-OD2 2.87Å; T252-D265 WeakPolarHBondContact O-CB 3.5Å; T252-D265 PolarHBondContact O-N 3.06Å; F263-D265 HydrophobicContact CE1-CB 3.86Å; F263-D265 HydrophobicContact CZ-CB 3.92Å; D265-R267 WeakPolarHBondContact OD1-CA 3.45Å; D265-R267 WeakPolarHBondContact OD1-CB 3.31Å; D265-R267 PolarHBondContact OD1-N 2.69Å; D265-R267 IonicContact OD1-NE 2.74Å; D265-R267 IonicContact OD2-CZ 2.63Å; D265-R267 VanDerWaalsContact OD2-CZ 3.28Å; D265-R267 IonicContact OD2-NE 3.88Å; D265-R267 PolarHBondContact OD2-NE 3.36Å; D265-R267 IonicContact OD2-NH2 2.71Å; D265-R267 PolarHBondContact OD2-NH2 2.79Å; D265-A268 PolarHBondContact OD1-N 3.34Å
266H95.7Very high96.6Very high155 Ų15552.8 Ų52.872%0.71828%0.275SS*.SBendtrans-85.5-3.3-177.670.3-86000114.2
267R94.8Very high96.6Very high68 Ų6859 Ų5926%0.25730%0.3SS..SBendtrans-88.8-25.8176.2-59.2178-69.7164.7-2.4111.4E250 F251 T252 D265 P270 I271E250-R267 VanDerWaalsContact O-CD 3.27Å; E250-R267 WeakPolarHBondContact O-CD 3.28Å; E250-R267 PolarHBondContact O-NE 3.39Å; E250-R267 VanDerWaalsContact O-NE 3.17Å; E250-R267 PolarHBondContact O-NH1 3.28Å; E250-R267 IonicContact OE1-CZ 3.54Å; E250-R267 IonicContact OE1-NH1 2.92Å; E250-R267 PolarHBondContact OE1-NH1 3.37Å; E250-R267 IonicContact OE1-NH2 2.71Å; E250-R267 PolarHBondContact OE1-NH2 2.77Å; F251-R267 HydrophobicContact CB-CB 4.02Å; T252-R267 PolarHBondContact OG1-NH2 3.18Å; D265-R267 WeakPolarHBondContact OD1-CA 3.45Å; D265-R267 WeakPolarHBondContact OD1-CB 3.31Å; D265-R267 PolarHBondContact OD1-N 2.69Å; D265-R267 IonicContact OD1-NE 2.74Å; D265-R267 IonicContact OD2-CZ 2.63Å; D265-R267 VanDerWaalsContact OD2-CZ 3.28Å; D265-R267 IonicContact OD2-NE 3.88Å; D265-R267 PolarHBondContact OD2-NE 3.36Å; D265-R267 IonicContact OD2-NH2 2.71Å; D265-R267 PolarHBondContact OD2-NH2 2.79Å; R267-P270 WeakPolarHBondContact O-CD 3.39Å; R267-I271 WeakPolarHBondContact O-CD1 3.34Å; R267-I271 WeakPolarHBondContact O-CG1 3.49Å
268A95.1Very high96.7Very high0 Ų058 Ų580%029%0.293CS..Hα-helixtrans-61.2-44.2177.500000114.7F251 L264 D265 I271 I272F251-A268 HydrophobicContact CB-CB 3.88Å; F251-A268 HydrophobicContact CD2-CB 3.48Å; F251-A268 VanDerWaalsContact CD2-CB 3.48Å; F251-A268 HydrophobicContact CE2-CB 4.12Å; F251-A268 HydrophobicContact CG-CB 3.76Å; L264-A268 HydrophobicContact CD1-CB 3.57Å; L264-A268 HydrophobicContact CD2-CB 3.64Å; L264-A268 HydrophobicContact CG-CB 3.5Å; L264-A268 VanDerWaalsContact CG-CB 3.5Å; D265-A268 PolarHBondContact OD1-N 3.34Å; A268-I271 PolarHBondContact O-N 3.19Å; A268-I272 HydrophobicContact CB-CD1 4.17Å; A268-I272 HydrophobicContact CB-CG1 4.15Å; A268-I272 VanDerWaalsContact O-CG1 3.27Å; A268-I272 WeakPolarHBondContact O-CG1 3.45Å; A268-I272 PolarHBondContact O-N 2.74Å
269P95Very high96.7Very high26 Ų2651.7 Ų51.717%0.16926%0.263CS..Hα-helixtrans-62.8-36.8-173.1-2132.7000115.1I271 G273 Y274 L275P269-I271 VanDerWaalsContact C-N 3.27Å; P269-I271 PolarHBondContact O-N 2.95Å; P269-G273 WeakPolarHBondContact O-CA 3.45Å; P269-G273 PolarHBondContact O-N 3.01Å; P269-Y274 WeakPolarHBondContact CA-O 3.36Å; P269-Y274 WeakPolarHBondContact CB-O 3.47Å; P269-Y274 WeakPolarHBondContact CG-O 3.44Å; P269-L275 HydrophobicContact CB-CD2 4.13Å; P269-L275 HydrophobicContact CG-CD2 4.47Å
270P92.3Very high96.7Very high111 Ų11155.2 Ų55.272%0.72128%0.282SS*.Hα-helixtrans-59.7-30.3167.2-28.636.1000115.3R267R267-P270 WeakPolarHBondContact O-CD 3.39Å
271I91.9Very high96.7Very high41 Ų4153.7 Ų53.721%0.2129%0.289CS..Hα-helixtrans-92.2-50.1-173-60.1170.9000111.9F251 R267 A268 P269 I324 V350F251-I271 HydrophobicContact CB-CD1 4.38Å; F251-I271 HydrophobicContact CD1-CB 4.48Å; F251-I271 HydrophobicContact CD1-CD1 3.99Å; F251-I271 HydrophobicContact CD1-CG2 4.27Å; F251-I271 HydrophobicContact CE1-CG2 4.23Å; R267-I271 WeakPolarHBondContact O-CD1 3.34Å; R267-I271 WeakPolarHBondContact O-CG1 3.49Å; A268-I271 PolarHBondContact O-N 3.19Å; P269-I271 VanDerWaalsContact C-N 3.27Å; P269-I271 PolarHBondContact O-N 2.95Å; I271-I324 HydrophobicContact CG2-CD1 3.74Å; I271-V350 HydrophobicContact CG2-CG2 3.66Å
272I94.6Very high96.7Very high1 Ų155.6 Ų55.61%0.00530%0.301CS..Hα-helixtrans-103.1-2.3-177.459.4171000113.9F251 L264 A268 Y274 F316 T318 K319 I324F251-I272 HydrophobicContact CE1-CG2 4.08Å; F251-I272 HydrophobicContact CE2-CD1 4.22Å; F251-I272 HydrophobicContact CZ-CD1 4.3Å; F251-I272 HydrophobicContact CZ-CG2 3.96Å; L264-I272 HydrophobicContact CD1-CD1 4.45Å; L264-I272 HydrophobicContact CD2-CD1 4.33Å; A268-I272 HydrophobicContact CB-CD1 4.17Å; A268-I272 HydrophobicContact CB-CG1 4.15Å; A268-I272 VanDerWaalsContact O-CG1 3.27Å; A268-I272 WeakPolarHBondContact O-CG1 3.45Å; A268-I272 PolarHBondContact O-N 2.74Å; I272-Y274 HydrophobicContact CB-CD2 4.15Å; I272-Y274 HydrophobicContact CD1-CD2 4.06Å; I272-Y274 HydrophobicContact CG1-CD2 4.13Å; I272-Y274 VanDerWaalsContact O-CD2 3.25Å; I272-Y274 WeakPolarHBondContact O-CD2 3.38Å; I272-Y274 PolarHBondContact O-N 2.84Å; I272-F316 HydrophobicContact CB-CD1 4.35Å; I272-F316 HydrophobicContact CB-CE1 3.93Å; I272-F316 HydrophobicContact CD1-CE1 3.9Å; I272-F316 HydrophobicContact CD1-CZ 4.09Å; I272-F316 HydrophobicContact CG2-CD1 3.68Å; I272-F316 HydrophobicContact CG2-CE1 3.65Å; I272-T318 WeakPolarHBondContact O-CA 3.3Å; I272-K319 PolarHBondContact O-N 3.29Å; I272-I324 HydrophobicContact CG2-CD1 3.53Å
273G94.8Very high96.7Very high34 Ų3452.4 Ų52.435%0.35129%0.286SS..  trans74.4-19.9178.500000115.9P269 K319P269-G273 WeakPolarHBondContact O-CA 3.45Å; P269-G273 PolarHBondContact O-N 3.01Å; G273-K319 WeakPolarHBondContact O-CD 3.44Å
274Y97.9Very high96.7Very high29 Ų2948.8 Ų48.811%0.11427%0.271CS..  trans-78.2136179.4-58.2-75.2000112.8P269 I272 E278 V279 Y287 F316 L317 K319P269-Y274 WeakPolarHBondContact CA-O 3.36Å; P269-Y274 WeakPolarHBondContact CB-O 3.47Å; P269-Y274 WeakPolarHBondContact CG-O 3.44Å; I272-Y274 HydrophobicContact CB-CD2 4.15Å; I272-Y274 HydrophobicContact CD1-CD2 4.06Å; I272-Y274 HydrophobicContact CG1-CD2 4.13Å; I272-Y274 VanDerWaalsContact O-CD2 3.25Å; I272-Y274 WeakPolarHBondContact O-CD2 3.38Å; I272-Y274 PolarHBondContact O-N 2.84Å; Y274-E278 HydrophobicContact CD1-CB 4.46Å; Y274-V279 HydrophobicContact CD1-CG1 4.34Å; Y274-V279 HydrophobicContact CD2-CG1 4.29Å; Y274-V279 HydrophobicContact CG-CG1 3.88Å; Y274-Y287 HydrophobicContact CD2-CE1 4.38Å; Y274-Y287 HydrophobicContact CE1-CE1 4.25Å; Y274-Y287 AromaticContact CE2-CD1 3.84Å; Y274-Y287 HydrophobicContact CE2-CD1 3.84Å; Y274-Y287 AromaticContact CE2-CE1 3.83Å; Y274-Y287 HydrophobicContact CE2-CE1 3.83Å; Y274-Y287 AromaticContact CZ-CE1 3.77Å; Y274-F316 HydrophobicContact CD2-CE1 4.49Å; Y274-F316 HydrophobicContact CE2-CE1 4.24Å; Y274-L317 WeakPolarHBondContact CE2-O 3.44Å; Y274-K319 HydrophobicContact CD1-CB 3.8Å; Y274-K319 HydrophobicContact CD1-CD 4.05Å; Y274-K319 HydrophobicContact CD1-CG 3.95Å; Y274-K319 HydrophobicContact CD2-CB 4.31Å; Y274-K319 HydrophobicContact CE1-CB 3.67Å; Y274-K319 HydrophobicContact CE1-CD 4.45Å; Y274-K319 HydrophobicContact CE1-CG 3.86Å; Y274-K319 HydrophobicContact CE2-CB 4.21Å; Y274-K319 HydrophobicContact CG-CB 4.12Å
275L98.1Very high96.6Very high79 Ų7952.3 Ų52.341%0.41428%0.284SS..  trans-80149.1166.1-60.8172.2000109.4P269 F277 E278P269-L275 HydrophobicContact CB-CD2 4.13Å; P269-L275 HydrophobicContact CG-CD2 4.47Å; L275-F277 VanDerWaalsContact C-N 3.26Å; L275-F277 HydrophobicContact CB-CD1 3.95Å; L275-F277 HydrophobicContact CB-CE1 3.65Å; L275-F277 HydrophobicContact CB-CZ 4.29Å; L275-F277 HydrophobicContact CD1-CE1 3.61Å; L275-F277 HydrophobicContact CD1-CZ 3.98Å; L275-F277 HydrophobicContact CG-CE1 4.27Å; L275-F277 PolarHBondContact O-N 2.96Å; L275-E278 HydrophobicContact CB-CG 4.27Å; L275-E278 PolarHBondContact N-OE2 3.14Å; L275-E278 WeakPolarHBondContact O-CB 3.4Å; L275-E278 PolarHBondContact O-N 3.5Å
276P98.3Very high96.7Very high40 Ų4056.7 Ų56.726%0.2631%0.307SS..Hα-helixtrans-53.4-36.9-173.8-30.736.3000115L264 E278 V279 L280L264-P276 HydrophobicContact CB-CB 4.13Å; L264-P276 HydrophobicContact CB-CG 4.27Å; L264-P276 HydrophobicContact CD2-CG 4.33Å; P276-E278 PolarHBondContact O-N 2.76Å; P276-V279 PolarHBondContact O-N 2.73Å; P276-L280 HydrophobicContact CB-CD1 4.38Å; P276-L280 WeakPolarHBondContact O-CB 3.46Å; P276-L280 WeakPolarHBondContact O-CG 3.43Å; P276-L280 PolarHBondContact O-N 2.71Å
277F98.1Very high96.8Very high151 Ų15150.3 Ų50.366%0.66228%0.277SS*.Hα-helixtrans-68.7-14.1179.272.9-98.1000114.2L275L275-F277 VanDerWaalsContact C-N 3.26Å; L275-F277 HydrophobicContact CB-CD1 3.95Å; L275-F277 HydrophobicContact CB-CE1 3.65Å; L275-F277 HydrophobicContact CB-CZ 4.29Å; L275-F277 HydrophobicContact CD1-CE1 3.61Å; L275-F277 HydrophobicContact CD1-CZ 3.98Å; L275-F277 HydrophobicContact CG-CE1 4.27Å; L275-F277 PolarHBondContact O-N 2.96Å
278E98.2Very high97Very high66 Ų6647.8 Ų47.831%0.30827%0.268SS..Hα-helixtrans-85.7-16.4178.9-57.1-179121.700112.5Y274 L275 P276 K319Y274-E278 HydrophobicContact CD1-CB 4.46Å; L275-E278 HydrophobicContact CB-CG 4.27Å; L275-E278 PolarHBondContact N-OE2 3.14Å; L275-E278 WeakPolarHBondContact O-CB 3.4Å; L275-E278 PolarHBondContact O-N 3.5Å; P276-E278 PolarHBondContact O-N 2.76Å; E278-K319 WeakPolarHBondContact OE1-CE 3.38Å; E278-K319 IonicContact OE1-NZ 2.79Å; E278-K319 PolarHBondContact OE1-NZ 3.48Å; E278-K319 IonicContact OE2-NZ 3.65Å; E278-K319 PolarHBondContact OE2-NZ 3.49Å
279V98.2Very high97Very high0 Ų049.4 Ų49.40%028%0.275CS..Hα-helixtrans-117.3-19.2178.7-50.40000113.6F261 L264 Y274 P276 G281 T282 Y287F261-V279 HydrophobicContact CB-CG2 4.26Å; F261-V279 WeakPolarHBondContact CB-O 3.46Å; F261-V279 HydrophobicContact CD1-CG2 4.32Å; F261-V279 HydrophobicContact CD2-CB 3.95Å; F261-V279 HydrophobicContact CD2-CG2 4.18Å; F261-V279 HydrophobicContact CE2-CB 4.28Å; F261-V279 HydrophobicContact CG-CB 4.29Å; F261-V279 HydrophobicContact CG-CG2 4.02Å; L264-V279 HydrophobicContact CB-CG2 4.4Å; L264-V279 HydrophobicContact CD2-CG2 3.95Å; Y274-V279 HydrophobicContact CD1-CG1 4.34Å; Y274-V279 HydrophobicContact CD2-CG1 4.29Å; Y274-V279 HydrophobicContact CG-CG1 3.88Å; P276-V279 PolarHBondContact O-N 2.73Å; V279-G281 PolarHBondContact O-N 3.33Å; V279-G281 VanDerWaalsContact O-N 3.08Å; V279-T282 PolarHBondContact O-N 2.94Å; V279-T282 PolarHBondContact O-OG1 2.92Å; V279-Y287 HydrophobicContact CG1-CE1 4.17Å
280L98.5Very high97.1Very high85 Ų8554.3 Ų54.345%0.44530%0.299SS..THydrogen-bonded Turntrans-59.5117.5-178.9-81.4167.8000111.6L262 P276L262-L280 WeakPolarHBondContact O-CD2 3.39Å; P276-L280 HydrophobicContact CB-CD1 4.38Å; P276-L280 WeakPolarHBondContact O-CB 3.46Å; P276-L280 WeakPolarHBondContact O-CG 3.43Å; P276-L280 PolarHBondContact O-N 2.71Å
281G98.3Very high97.1Very high48 Ų4854 Ų5450%0.49529%0.291SS..THydrogen-bonded Turntrans93.5-14.2-176.300000115.9F261 V279F261-G281 PolarHBondContact O-N 2.71Å; V279-G281 PolarHBondContact O-N 3.33Å; V279-G281 VanDerWaalsContact O-N 3.08Å
282T98.6Very high97.3Very high42 Ų4252.3 Ų52.326%0.25828%0.282SS..SBendtrans-76.9161.6171.767.60000110.7K260 F261 V279 Y287K260-T282 CarbonylContact C-O 3.57Å; K260-T282 WeakPolarHBondContact CA-O 3.37Å; K260-T282 WeakPolarHBondContact CB-O 3.38Å; F261-T282 PolarHBondContact N-O 3.15Å; V279-T282 PolarHBondContact O-N 2.94Å; V279-T282 PolarHBondContact O-OG1 2.92Å; T282-Y287 VanDerWaalsContact OG1-CE2 3.28Å; T282-Y287 WeakPolarHBondContact OG1-CE2 3.17Å; T282-Y287 PolarHBondContact OG1-OH 3.49Å
283S98.4Very high97.4Very high24 Ų2455 Ų5517%0.16830%0.296CS..BIsolated β-bridgetrans-83.8139.5-179.4174.40000110.4Y285 D286 Y287S283-Y285 PolarHBondContact O-N 3.04Å; S283-Y285 VanDerWaalsContact O-N 3.14Å; S283-Y285 WeakPolarHBondContact OG-CD2 3.44Å; S283-Y285 PolarHBondContact OG-N 3.01Å; S283-D286 WeakPolarHBondContact CB-OD2 3.46Å; S283-D286 PolarHBondContact N-OD2 2.98Å; S283-D286 WeakPolarHBondContact O-CB 3.48Å; S283-D286 PolarHBondContact O-N 2.74Å; S283-Y287 WeakPolarHBondContact O-CD2 3.47Å; S283-Y287 WeakPolarHBondContact O-CE2 3.35Å
284G97.7Very high97.5Very high0 Ų059.3 Ų59.30%031%0.308CS..G310 helixtrans-56.9-29.2172.100000112.9W259 D286 Y287 Y288W259-G284 PolarHBondContact O-N 3.49Å; G284-D286 PolarHBondContact O-N 3.48Å; G284-Y287 PolarHBondContact O-N 3Å; G284-Y288 VanDerWaalsContact C-CE2 3.49Å; G284-Y288 WeakPolarHBondContact O-CD2 3.16Å; G284-Y288 WeakPolarHBondContact O-CE1 3.47Å; G284-Y288 VanDerWaalsContact O-CE2 3.3Å; G284-Y288 WeakPolarHBondContact O-CE2 3.15Å; G284-Y288 VanDerWaalsContact O-CZ 3.28Å
285Y98.2Very high97.3Very high82 Ų8260.6 Ų60.632%0.32232%0.316SS..G310 helixtrans-68.3-17176.8-61.3-78.1000114.1W259 S283 Y287 Y288 L293 H300W259-Y285 HydrophobicContact CB-CD2 4.15Å; W259-Y285 HydrophobicContact CB-CE2 3.7Å; W259-Y285 AromaticContact CD1-CD2 3.74Å; W259-Y285 AromaticContact CD1-CE2 3.56Å; W259-Y285 HydrophobicContact CG-CD2 4.23Å; W259-Y285 AromaticContact CG-CE2 3.73Å; W259-Y285 HydrophobicContact CG-CE2 3.73Å; S283-Y285 PolarHBondContact O-N 3.04Å; S283-Y285 VanDerWaalsContact O-N 3.14Å; S283-Y285 WeakPolarHBondContact OG-CD2 3.44Å; S283-Y285 PolarHBondContact OG-N 3.01Å; Y285-Y287 PolarHBondContact O-N 3.31Å; Y285-Y288 AromaticContact CD1-CD2 3.73Å; Y285-Y288 HydrophobicContact CD1-CD2 3.73Å; Y285-Y288 AromaticContact CD1-CE2 3.88Å; Y285-Y288 HydrophobicContact CD1-CE2 3.88Å; Y285-Y288 HydrophobicContact CE1-CD2 4.4Å; Y285-Y288 HydrophobicContact CE1-CE2 4.27Å; Y285-Y288 HydrophobicContact CG-CD2 4.29Å; Y285-Y288 HydrophobicContact CG-CE2 4.29Å; Y285-L293 HydrophobicContact CD1-CD2 3.9Å; Y285-H300 AromaticContact CE1-ND1 3.78Å; Y285-H300 AromaticContact CZ-ND1 3.54Å; Y285-H300 PolarHBondContact OH-ND1 3.38Å
286D97.8Very high97.3Very high109 Ų10956.9 Ų56.958%0.58330%0.296SS*.G310 helixtrans-70.9-10.8178.4-54.1-26.4000112.2S283 G284S283-D286 WeakPolarHBondContact CB-OD2 3.46Å; S283-D286 PolarHBondContact N-OD2 2.98Å; S283-D286 WeakPolarHBondContact O-CB 3.48Å; S283-D286 PolarHBondContact O-N 2.74Å; G284-D286 PolarHBondContact O-N 3.48Å
287Y98.1Very high97.2Very high21 Ų2156.4 Ų56.48%0.08230%0.296CS..G310 helixtrans-119.8-0.4-174.1-52.9-94.9000113.9F261 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 4.38Å; Y274-Y287 HydrophobicContact CE1-CE1 4.25Å; Y274-Y287 AromaticContact CE2-CD1 3.84Å; Y274-Y287 HydrophobicContact CE2-CD1 3.84Å; Y274-Y287 AromaticContact CE2-CE1 3.83Å; Y274-Y287 HydrophobicContact CE2-CE1 3.83Å; Y274-Y287 AromaticContact CZ-CE1 3.77Å; V279-Y287 HydrophobicContact CG1-CE1 4.17Å; T282-Y287 VanDerWaalsContact OG1-CE2 3.28Å; T282-Y287 WeakPolarHBondContact OG1-CE2 3.17Å; T282-Y287 PolarHBondContact OG1-OH 3.49Å; S283-Y287 WeakPolarHBondContact O-CD2 3.47Å; S283-Y287 WeakPolarHBondContact O-CE2 3.35Å; G284-Y287 PolarHBondContact O-N 3Å; Y285-Y287 PolarHBondContact O-N 3.31Å; Y287-F316 HydrophobicContact CD1-CE1 4.23Å; Y287-F316 AromaticContact CD1-CZ 3.88Å; Y287-F316 HydrophobicContact CD1-CZ 3.88Å; Y287-F316 HydrophobicContact CD2-CE2 4.48Å; Y287-F316 HydrophobicContact CD2-CZ 4.39Å; Y287-F316 HydrophobicContact CG-CE1 4.36Å; Y287-F316 AromaticContact CG-CE2 3.94Å; Y287-F316 HydrophobicContact CG-CE2 3.94Å; Y287-F316 AromaticContact CG-CZ 3.67Å; Y287-F316 HydrophobicContact CG-CZ 3.67Å; Y287-F316 CarbonylContact O-C 3.57Å; Y287-F316 WeakPolarHBondContact O-CA 3.33Å; Y287-L317 PolarHBondContact O-N 3.04Å
288Y98.2Very high97.2Very high15 Ų1555.3 Ų55.36%0.05929%0.287CS..BIsolated β-bridgetrans-93.1145.8-177.9-57.2-34.1000111.9W259 G284 Y285 L293 L296 Y314 F316W259-Y288 AromaticContact NE1-CE2 3.75Å; W259-Y288 AromaticContact NE1-CZ 3.75Å; W259-Y288 PolarHBondContact NE1-OH 3.48Å; G284-Y288 VanDerWaalsContact C-CE2 3.49Å; G284-Y288 WeakPolarHBondContact O-CD2 3.16Å; G284-Y288 WeakPolarHBondContact O-CE1 3.47Å; G284-Y288 VanDerWaalsContact O-CE2 3.3Å; G284-Y288 WeakPolarHBondContact O-CE2 3.15Å; G284-Y288 VanDerWaalsContact O-CZ 3.28Å; Y285-Y288 AromaticContact CD1-CD2 3.73Å; Y285-Y288 HydrophobicContact CD1-CD2 3.73Å; Y285-Y288 AromaticContact CD1-CE2 3.88Å; Y285-Y288 HydrophobicContact CD1-CE2 3.88Å; Y285-Y288 HydrophobicContact CE1-CD2 4.4Å; Y285-Y288 HydrophobicContact CE1-CE2 4.27Å; Y285-Y288 HydrophobicContact CG-CD2 4.29Å; Y285-Y288 HydrophobicContact CG-CE2 4.29Å; Y288-L293 HydrophobicContact CD2-CD2 4.18Å; Y288-L296 HydrophobicContact CD1-CD1 4.02Å; Y288-L296 HydrophobicContact CD2-CD1 3.53Å; Y288-L296 HydrophobicContact CE1-CD1 4.44Å; Y288-L296 HydrophobicContact CE2-CD1 4.02Å; Y288-L296 HydrophobicContact CG-CD1 3.55Å; Y288-Y314 AromaticContact CD1-CD2 3.86Å; Y288-Y314 HydrophobicContact CD1-CD2 3.86Å; Y288-Y314 AromaticContact CD1-CE2 3.59Å; Y288-Y314 HydrophobicContact CD1-CE2 3.59Å; 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 4.1Å; Y288-F316 AromaticContact CE1-CD2 3.99Å; Y288-F316 HydrophobicContact CE1-CD2 3.99Å; Y288-F316 HydrophobicContact CE1-CE2 4.38Å
289H96.7Very high97.2Very high33 Ų3353.3 Ų53.315%0.15328%0.28CS..  trans-65.9142174.2-167.9-76.4000111.4D291 D292 L293 R315 W323H289-D291 IonicContact CE1-OD1 2.96Å; H289-D291 PolarHBondContact CE1-OD1 3.49Å; H289-D291 IonicContact CE1-OD2 3.49Å; H289-D291 PolarHBondContact CE1-OD2 3.35Å; H289-D291 VanDerWaalsContact ND1-CG 3.33Å; H289-D291 PolarHBondContact ND1-N 3.12Å; H289-D291 IonicContact ND1-OD1 2.68Å; H289-D291 IonicContact ND1-OD2 3.64Å; H289-D291 PolarHBondContact ND1-OD2 3.05Å; H289-D291 PolarHBondContact O-N 3.49Å; H289-D292 PolarHBondContact O-N 3.21Å; H289-L293 PolarHBondContact O-N 2.77Å; H289-R315 HydrophobicContact CB-CB 3.71Å; H289-R315 PolarHBondContact N-O 3.05Å; H289-R315 VanDerWaalsContact N-O 3.1Å; H289-R315 PolarHBondContact ND1-NH2 2.95Å; H289-R315 VanDerWaalsContact ND1-NH2 3.18Å; H289-W323 HydrophobicContact CB-CD2 4.49Å; H289-W323 HydrophobicContact CB-CE3 4.06Å; H289-W323 HydrophobicContact CB-CH2 3.93Å; H289-W323 HydrophobicContact CB-CZ2 4.36Å; H289-W323 HydrophobicContact CB-CZ3 3.75Å; H289-W323 AromaticContact CD2-CD2 3.9Å; H289-W323 AromaticContact CD2-CE2 3.44Å; H289-W323 VanDerWaalsContact CD2-CE2 3.44Å; H289-W323 AromaticContact CD2-CH2 3.95Å; H289-W323 AromaticContact CD2-CZ2 3.48Å; H289-W323 VanDerWaalsContact CD2-CZ2 3.48Å; H289-W323 WeakPolarHBondContact CD2-CZ2 3.46Å; H289-W323 AromaticContact CD2-NE1 3.73Å
290I96.1Very high97.1Very high129 Ų12953.7 Ų53.766%0.66228%0.282SS*.G310 helixtrans-58.5-45-170.8-173.3163.6000113.5D292 L293I290-D292 PolarHBondContact O-N 3.11Å; I290-L293 HydrophobicContact CG1-CD1 4.3Å; I290-L293 WeakPolarHBondContact O-CB 3.38Å; I290-L293 PolarHBondContact O-N 3.46Å
291D93.5Very high97.1Very high104 Ų10455.3 Ų55.356%0.55629%0.288SS*.G310 helixtrans-60.2-29.8176.4-29.7-28.6000113.1H289 R315H289-D291 IonicContact CE1-OD1 2.96Å; H289-D291 PolarHBondContact CE1-OD1 3.49Å; H289-D291 IonicContact CE1-OD2 3.49Å; H289-D291 PolarHBondContact CE1-OD2 3.35Å; H289-D291 VanDerWaalsContact ND1-CG 3.33Å; H289-D291 PolarHBondContact ND1-N 3.12Å; H289-D291 IonicContact ND1-OD1 2.68Å; H289-D291 IonicContact ND1-OD2 3.64Å; H289-D291 PolarHBondContact ND1-OD2 3.05Å; H289-D291 PolarHBondContact O-N 3.49Å; D291-R315 IonicContact OD2-CZ 3.68Å; D291-R315 IonicContact OD2-NH1 2.64Å; D291-R315 IonicContact OD2-NH2 3.67Å; D291-R315 PolarHBondContact OD2-NH2 2.94Å
292D95.7Very high97Very high7 Ų757.6 Ų57.64%0.03729%0.285CS..G310 helixtrans-87.3-15.9-171.4-54.4-9.4000111.3H289 I290 E294 L295 L296 R315H289-D292 PolarHBondContact O-N 3.21Å; I290-D292 PolarHBondContact O-N 3.11Å; D292-E294 VanDerWaalsContact C-N 3.34Å; D292-E294 PolarHBondContact O-N 3.3Å; D292-L295 PolarHBondContact O-N 3.41Å; D292-L296 HydrophobicContact CB-CD1 4.47Å; D292-L296 WeakPolarHBondContact O-CB 3.1Å; D292-L296 WeakPolarHBondContact O-CG 3.35Å; D292-L296 PolarHBondContact O-N 2.58Å; D292-R315 IonicContact OD1-CZ 3.8Å; D292-R315 IonicContact OD1-NE 2.77Å; D292-R315 IonicContact OD1-NH2 2.74Å; D292-R315 PolarHBondContact OD1-NH2 3.28Å; D292-R315 WeakPolarHBondContact OD2-CB 3.27Å; D292-R315 IonicContact OD2-CZ 2.74Å; D292-R315 PolarHBondContact OD2-N 3.45Å; D292-R315 IonicContact OD2-NE 3.8Å; D292-R315 PolarHBondContact OD2-NE 3.45Å; D292-R315 IonicContact OD2-NH2 3.91Å
293L96.3Very high97Very high57 Ų5755.6 Ų55.630%0.29827%0.273SS..Hα-helixtrans-57.1-40.4-177.6-72.7174.1000113.4Y285 Y288 H289 I290 A297Y285-L293 HydrophobicContact CD1-CD2 3.9Å; Y288-L293 HydrophobicContact CD2-CD2 4.18Å; H289-L293 PolarHBondContact O-N 2.77Å; I290-L293 HydrophobicContact CG1-CD1 4.3Å; I290-L293 WeakPolarHBondContact O-CB 3.38Å; I290-L293 PolarHBondContact O-N 3.46Å; L293-A297 VanDerWaalsContact O-CB 3.27Å; L293-A297 WeakPolarHBondContact O-CB 3.35Å; L293-A297 PolarHBondContact O-N 3.33Å
294E95.8Very high96.9Very high125 Ų12558.7 Ų58.758%0.58429%0.286SS*.Hα-helixtrans-68.5-43.2-176.6-159-161.8162.300111.1D292 A297 R298D292-E294 VanDerWaalsContact C-N 3.34Å; D292-E294 PolarHBondContact O-N 3.3Å; E294-A297 PolarHBondContact O-N 2.95Å; E294-R298 WeakPolarHBondContact O-CG 3.37Å; E294-R298 PolarHBondContact O-N 3.49Å; E294-R298 VanDerWaalsContact O-N 3.11Å; E294-R298 IonicContact OE1-CZ 2.88Å; E294-R298 IonicContact OE1-NE 2.67Å; E294-R298 PolarHBondContact OE1-NE 2.81Å; E294-R298 IonicContact OE1-NH2 2.77Å; E294-R298 PolarHBondContact OE1-NH2 3.41Å; E294-R298 IonicContact OE2-NH2 3.94Å; E294-R298 PolarHBondContact OE2-NH2 3.43Å
295L94.5Very high96.8Very high56 Ų5665.5 Ų65.529%0.29332%0.317SS..Hα-helixtrans-68.8-43.1179.6-168.555000110.8D292 A297 R298 C299 C312D292-L295 PolarHBondContact O-N 3.41Å; L295-A297 PolarHBondContact O-N 3.49Å; L295-R298 WeakPolarHBondContact O-CB 3.33Å; L295-R298 PolarHBondContact O-N 3.1Å; L295-C299 PolarHBondContact O-N 2.95Å; L295-C299 PolarHBondContact O-SG 3.15Å; L295-C312 HydrophobicContact CD2-CB 3.47Å; L295-C312 VanDerWaalsContact CD2-CB 3.47Å; L295-C312 HydrophobicContact CG-CB 3.88Å
296L97.3Very high96.8Very high0 Ų067.7 Ų67.70%033%0.329CS..Hα-helixtrans-57.5-44.1171.6-78.2171.2000112.6Y288 D292 R298 C299 H300 Y314Y288-L296 HydrophobicContact CD1-CD1 4.02Å; Y288-L296 HydrophobicContact CD2-CD1 3.53Å; Y288-L296 HydrophobicContact CE1-CD1 4.44Å; Y288-L296 HydrophobicContact CE2-CD1 4.02Å; Y288-L296 HydrophobicContact CG-CD1 3.55Å; D292-L296 HydrophobicContact CB-CD1 4.47Å; D292-L296 WeakPolarHBondContact O-CB 3.1Å; D292-L296 WeakPolarHBondContact O-CG 3.35Å; D292-L296 PolarHBondContact O-N 2.58Å; L296-R298 VanDerWaalsContact C-N 3.33Å; L296-R298 PolarHBondContact O-N 2.96Å; L296-C299 PolarHBondContact O-N 2.8Å; L296-C299 VanDerWaalsContact O-N 3.14Å; L296-H300 PolarHBondContact O-N 3.09Å; L296-H300 PolarHBondContact O-ND1 3.31Å; L296-Y314 HydrophobicContact CD1-CD1 4.48Å; L296-Y314 HydrophobicContact CD1-CD2 3.87Å; L296-Y314 HydrophobicContact CD1-CG 3.82Å; L296-Y314 HydrophobicContact CD2-CD1 3.67Å; L296-Y314 HydrophobicContact CD2-CD2 4.46Å; L296-Y314 HydrophobicContact CD2-CE1 4.11Å; L296-Y314 HydrophobicContact CD2-CG 3.86Å; L296-Y314 HydrophobicContact CG-CD1 4.49Å; L296-Y314 HydrophobicContact CG-CG 4.2Å
297A97.1Very high96.7Very high30 Ų3063 Ų6325%0.24831%0.307CS..Hα-helixtrans-60.7-40.9177.400000112.1L293 E294 L295 H300 Q301L293-A297 VanDerWaalsContact O-CB 3.27Å; L293-A297 WeakPolarHBondContact O-CB 3.35Å; L293-A297 PolarHBondContact O-N 3.33Å; E294-A297 PolarHBondContact O-N 2.95Å; L295-A297 PolarHBondContact O-N 3.49Å; A297-H300 PolarHBondContact O-N 3.09Å; A297-Q301 VanDerWaalsContact O-CG 3.26Å; A297-Q301 WeakPolarHBondContact O-CG 3.49Å; A297-Q301 PolarHBondContact O-N 3.01Å
298R97.4Very high96.7Very high128 Ų12869.1 Ų69.148%0.48333%0.333SS..Hα-helixtrans-62.2-44.2172.7-63.3167.2-169.7177.82.5111.2E294 L295 L296 H300 Q301 H302E294-R298 WeakPolarHBondContact O-CG 3.37Å; E294-R298 PolarHBondContact O-N 3.49Å; E294-R298 VanDerWaalsContact O-N 3.11Å; E294-R298 IonicContact OE1-CZ 2.88Å; E294-R298 IonicContact OE1-NE 2.67Å; E294-R298 PolarHBondContact OE1-NE 2.81Å; E294-R298 IonicContact OE1-NH2 2.77Å; E294-R298 PolarHBondContact OE1-NH2 3.41Å; E294-R298 IonicContact OE2-NH2 3.94Å; E294-R298 PolarHBondContact OE2-NH2 3.43Å; L295-R298 WeakPolarHBondContact O-CB 3.33Å; L295-R298 PolarHBondContact O-N 3.1Å; L296-R298 VanDerWaalsContact C-N 3.33Å; L296-R298 PolarHBondContact O-N 2.96Å; R298-H300 PolarHBondContact O-N 3.46Å; R298-Q301 PolarHBondContact O-N 3.16Å; R298-H302 PolarHBondContact O-N 3.33Å
299C97.9Very high96.6Very high24 Ų2469.5 Ų69.516%0.16234%0.342CS..Hα-helixtrans-65.5-36.1177.6-60.40000112.9L295 L296 H302 L303 Y330L295-C299 PolarHBondContact O-N 2.95Å; L295-C299 PolarHBondContact O-SG 3.15Å; L296-C299 PolarHBondContact O-N 2.8Å; L296-C299 VanDerWaalsContact O-N 3.14Å; C299-H302 WeakPolarHBondContact O-CB 3.5Å; C299-H302 PolarHBondContact O-N 3.33Å; C299-L303 PolarHBondContact O-N 3.05Å; C299-Y330 WeakPolarHBondContact CB-OH 3.4Å
300H97.9Very high96.6Very high9 Ų972.3 Ų72.34%0.04235%0.354CS..Hα-helixtrans-72.1-35.4175-59.9155.9000112.2W259 Y285 L296 A297 R298 H302 L303 M304 Y330W259-H300 AromaticContact CE2-CE1 3.53Å; W259-H300 AromaticContact CE2-ND1 3.9Å; W259-H300 AromaticContact CE2-NE2 3.73Å; W259-H300 AromaticContact CH2-CD2 3.74Å; W259-H300 AromaticContact CH2-NE2 3.83Å; W259-H300 AromaticContact CZ2-CD2 3.62Å; W259-H300 AromaticContact CZ2-CE1 3.54Å; W259-H300 AromaticContact CZ2-NE2 3.22Å; W259-H300 WeakPolarHBondContact CZ2-NE2 3.25Å; W259-H300 AromaticContact NE1-CE1 3.54Å; Y285-H300 AromaticContact CE1-ND1 3.78Å; Y285-H300 AromaticContact CZ-ND1 3.54Å; Y285-H300 PolarHBondContact OH-ND1 3.38Å; L296-H300 PolarHBondContact O-N 3.09Å; L296-H300 PolarHBondContact O-ND1 3.31Å; A297-H300 PolarHBondContact O-N 3.09Å; R298-H300 PolarHBondContact O-N 3.46Å; H300-H302 VanDerWaalsContact C-N 3.34Å; H300-L303 WeakPolarHBondContact O-CB 3.3Å; H300-L303 PolarHBondContact O-N 3.02Å; H300-M304 WeakPolarHBondContact O-CG 3.41Å; H300-M304 PolarHBondContact O-N 3.34Å; H300-Y330 AromaticContact CD2-CE1 3.8Å; H300-Y330 AromaticContact NE2-CE1 3.82Å
301Q97Very high96.6Very high119 Ų11966.5 Ų66.556%0.55633%0.325SS*.Hα-helixtrans-61.1-42.7169.4-72.7169.413.700111.4A297 R298 M304 Q305A297-Q301 VanDerWaalsContact O-CG 3.26Å; A297-Q301 WeakPolarHBondContact O-CG 3.49Å; A297-Q301 PolarHBondContact O-N 3.01Å; R298-Q301 PolarHBondContact O-N 3.16Å; Q301-M304 PolarHBondContact O-N 3.16Å; Q301-Q305 WeakPolarHBondContact O-CG 3.48Å; Q301-Q305 PolarHBondContact O-N 3Å
302H97.6Very high96.7Very high95 Ų9562.1 Ų62.144%0.4430%0.302SS..Hα-helixtrans-62.5-42.9174-174.7-78.7000111.8R298 C299 H300 M304 Q305 F306R298-H302 PolarHBondContact O-N 3.33Å; C299-H302 WeakPolarHBondContact O-CB 3.5Å; C299-H302 PolarHBondContact O-N 3.33Å; H300-H302 VanDerWaalsContact C-N 3.34Å; H302-M304 VanDerWaalsContact C-N 3.32Å; H302-M304 PolarHBondContact O-N 3.25Å; H302-Q305 PolarHBondContact O-N 3.01Å; H302-Q305 VanDerWaalsContact O-N 3.11Å; H302-F306 AromaticContact CD2-CD2 3.63Å; H302-F306 AromaticContact CD2-CE2 3.65Å; H302-F306 AromaticContact CE1-CD2 3.42Å; H302-F306 VanDerWaalsContact CE1-CD2 3.42Å; H302-F306 WeakPolarHBondContact CE1-CD2 3.44Å; H302-F306 AromaticContact CE1-CG 3.95Å; H302-F306 AromaticContact CG-CD2 3.79Å; H302-F306 AromaticContact ND1-CD2 3.67Å; H302-F306 AromaticContact NE2-CD2 3.39Å; H302-F306 WeakPolarHBondContact NE2-CD2 3.36Å; H302-F306 AromaticContact NE2-CE2 3.51Å; H302-F306 WeakPolarHBondContact O-CD2 3.36Å; H302-F306 PolarHBondContact O-N 3.32Å
303L97.9Very high96.6Very high0 Ų062.2 Ų62.20%030%0.303CS..Hα-helixtrans-57-42.8173.417363.8000112.3W259 C299 H300 Q305 G307 Y330 I332 I344W259-L303 HydrophobicContact CH2-CD2 3.9Å; W259-L303 HydrophobicContact CZ3-CD2 3.85Å; C299-L303 PolarHBondContact O-N 3.05Å; H300-L303 WeakPolarHBondContact O-CB 3.3Å; H300-L303 PolarHBondContact O-N 3.02Å; L303-Q305 VanDerWaalsContact C-N 3.28Å; L303-Q305 PolarHBondContact O-N 2.79Å; L303-G307 WeakPolarHBondContact O-CA 3.35Å; L303-G307 PolarHBondContact O-N 3.32Å; L303-Y330 HydrophobicContact CB-CD2 4.32Å; L303-Y330 HydrophobicContact CB-CE2 4.3Å; L303-Y330 HydrophobicContact CD1-CD2 3.9Å; L303-Y330 HydrophobicContact CD1-CG 4.44Å; L303-Y330 HydrophobicContact CD2-CD1 4.31Å; L303-Y330 HydrophobicContact CD2-CD2 3.82Å; L303-Y330 HydrophobicContact CD2-CE2 4.37Å; L303-Y330 HydrophobicContact CD2-CG 3.81Å; L303-Y330 HydrophobicContact CG-CD2 4.22Å; L303-I332 HydrophobicContact CD1-CG1 4.01Å; L303-I332 HydrophobicContact CG-CD1 4.45Å; L303-I332 HydrophobicContact CG-CG1 4.22Å; L303-I344 HydrophobicContact CD2-CG1 4.27Å; L303-I344 HydrophobicContact CD2-CG2 3.79Å
304M96.4Very high96.6Very high89 Ų8959.6 Ų59.644%0.43829%0.289SS..Hα-helixtrans-66.1-27.1177-67.4-58.8120.500113.4H300 Q301 H302 I332 I344H300-M304 WeakPolarHBondContact O-CG 3.41Å; H300-M304 PolarHBondContact O-N 3.34Å; Q301-M304 PolarHBondContact O-N 3.16Å; H302-M304 VanDerWaalsContact C-N 3.32Å; H302-M304 PolarHBondContact O-N 3.25Å; M304-I332 HydrophobicContact CE-CD1 3.78Å; M304-I332 HydrophobicContact CE-CG1 4.4Å; M304-I332 HydrophobicContact SD-CD1 3.95Å; M304-I344 HydrophobicContact CE-CD1 4.01Å; M304-I344 HydrophobicContact CE-CG1 3.99Å
305Q96.2Very high96.6Very high143 Ų14354.7 Ų54.767%0.66827%0.266SS*.Hα-helixtrans-82.1-42.2177.5-68.517128.300112.8Q301 H302 L303Q301-Q305 WeakPolarHBondContact O-CG 3.48Å; Q301-Q305 PolarHBondContact O-N 3Å; H302-Q305 PolarHBondContact O-N 3.01Å; H302-Q305 VanDerWaalsContact O-N 3.11Å; L303-Q305 VanDerWaalsContact C-N 3.28Å; L303-Q305 PolarHBondContact O-N 2.79Å
306F97Very high96.7Very high129 Ų12952.2 Ų52.257%0.56625%0.253SS*.Hα-helixtrans-106.5-3.9-170.2-66.4-80000114.7H302 K308H302-F306 AromaticContact CD2-CD2 3.63Å; H302-F306 AromaticContact CD2-CE2 3.65Å; H302-F306 AromaticContact CE1-CD2 3.42Å; H302-F306 VanDerWaalsContact CE1-CD2 3.42Å; H302-F306 WeakPolarHBondContact CE1-CD2 3.44Å; H302-F306 AromaticContact CE1-CG 3.95Å; H302-F306 AromaticContact CG-CD2 3.79Å; H302-F306 AromaticContact ND1-CD2 3.67Å; H302-F306 AromaticContact NE2-CD2 3.39Å; H302-F306 WeakPolarHBondContact NE2-CD2 3.36Å; H302-F306 AromaticContact NE2-CE2 3.51Å; H302-F306 WeakPolarHBondContact O-CD2 3.36Å; H302-F306 PolarHBondContact O-N 3.32Å; F306-K308 PolarHBondContact O-N 3.44Å; F306-K308 VanDerWaalsContact O-N 3.07Å
307G96.1Very high96.7Very high11 Ų1153.6 Ų53.611%0.11326%0.26CS..SBendtrans71.7-6.2179.100000115.1L303 Y331 I332L303-G307 WeakPolarHBondContact O-CA 3.35Å; L303-G307 PolarHBondContact O-N 3.32Å; G307-Y331 CarbonylContact O-C 3.55Å; G307-Y331 WeakPolarHBondContact O-CA 3.47Å; G307-I332 PolarHBondContact O-N 3.23Å
308K97.7Very high96.6Very high148 Ų14852.5 Ų52.564%0.64325%0.25SC*.EExtended strand (participates in β ladder)trans-156.4161.4174.261.9177.9-179.61760111.9F306 Y330F306-K308 PolarHBondContact O-N 3.44Å; F306-K308 VanDerWaalsContact O-N 3.07Å; K308-Y330 CarbonylContact C-O 3.5Å; K308-Y330 VanDerWaalsContact CA-O 3.24Å; K308-Y330 WeakPolarHBondContact CA-O 3.28Å
309G96.9Very high96.5Very high24 Ų2450.7 Ų50.725%0.24725%0.246CC..EExtended strand (participates in β ladder)trans-177.7-173.8174.400000114.3Y330G309-Y330 VanDerWaalsContact C-CE2 3.47Å; G309-Y330 PolarHBondContact N-O 2.69Å; G309-Y330 VanDerWaalsContact O-CD2 3.31Å; G309-Y330 WeakPolarHBondContact O-CD2 3.41Å; G309-Y330 PolarHBondContact O-N 2.8Å
310K96.4Very high96.2Very high91 Ų9152 Ų5240%0.39626%0.263SS..EExtended strand (participates in β ladder)trans-119.8156.7168.2-163.3-169.3-170-143.30107.6Q327 T328 Y330 E359K310-Q327 HydrophobicContact CG-CG 4.44Å; K310-T328 CarbonylContact C-O 3.51Å; K310-T328 WeakPolarHBondContact CA-O 3.47Å; K310-Y330 VanDerWaalsContact C-OH 3.28Å; K310-Y330 PolarHBondContact O-OH 3.18Å; K310-E359 IonicContact NZ-OE2 3.62Å; K310-E359 PolarHBondContact NZ-OE2 3.26Å
311S96.6Very high95.9Very high8 Ų856.2 Ų56.26%0.05628%0.283CS..PPolyproline II helixtrans-90.1165.1165.870.50000111T328 Y330S311-T328 PolarHBondContact N-O 3.15Å; S311-T328 PolarHBondContact OG-N 2.7Å; S311-Y330 WeakPolarHBondContact CA-OH 3.35Å; S311-Y330 VanDerWaalsContact CB-OH 3.31Å; S311-Y330 WeakPolarHBondContact CB-OH 3.41Å; S311-Y330 PolarHBondContact N-OH 2.86Å
312C94.1Very high95.6Very high11 Ų1152.1 Ų52.17%0.07426%0.264CS..PPolyproline II helixtrans-58.3166.5150.261.40000110.4L295L295-C312 HydrophobicContact CD2-CB 3.47Å; L295-C312 VanDerWaalsContact CD2-CB 3.47Å; L295-C312 HydrophobicContact CG-CB 3.88Å
313C94.4Very high95.4Very high9 Ų948.9 Ų48.96%0.06125%0.248CC..PPolyproline II helixtrans-61.9136.6157-69.30000110.5W325 L326 Q327 V356 E359C313-W325 HydrophobicContact CB-CE3 4.08Å; C313-W325 HydrophobicContact CB-CZ3 4.32Å; C313-L326 WeakPolarHBondContact CA-O 3.46Å; C313-Q327 PolarHBondContact SG-NE2 3.08Å; C313-V356 HydrophobicContact CB-CG1 4.22Å; C313-V356 HydrophobicContact CB-CG2 3.87Å; C313-E359 PolarHBondContact N-OE1 3.34Å; C313-E359 PolarHBondContact SG-OE1 3.04Å; C313-E359 VanDerWaalsContact SG-OE1 3.42Å
314Y95.7Very high95.2Very high2 Ų249.4 Ų49.41%0.00825%0.25CS..EExtended strand (participates in β ladder)trans-146.9161.7179.870.3-88.6000111.1Y288 L296 F316 L326 T328 H348Y288-Y314 AromaticContact CD1-CD2 3.86Å; Y288-Y314 HydrophobicContact CD1-CD2 3.86Å; Y288-Y314 AromaticContact CD1-CE2 3.59Å; Y288-Y314 HydrophobicContact CD1-CE2 3.59Å; 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 4.48Å; L296-Y314 HydrophobicContact CD1-CD2 3.87Å; L296-Y314 HydrophobicContact CD1-CG 3.82Å; L296-Y314 HydrophobicContact CD2-CD1 3.67Å; L296-Y314 HydrophobicContact CD2-CD2 4.46Å; L296-Y314 HydrophobicContact CD2-CE1 4.11Å; L296-Y314 HydrophobicContact CD2-CG 3.86Å; L296-Y314 HydrophobicContact CG-CD1 4.49Å; L296-Y314 HydrophobicContact CG-CG 4.2Å; Y314-F316 HydrophobicContact CE2-CB 4.17Å; Y314-F316 HydrophobicContact CE2-CD2 4.35Å; Y314-L326 HydrophobicContact CD1-CB 4.49Å; Y314-L326 WeakPolarHBondContact CD1-O 3.2Å; Y314-L326 HydrophobicContact CE1-CB 3.95Å; Y314-L326 HydrophobicContact CE2-CB 3.99Å; Y314-L326 HydrophobicContact CE2-CD1 4.22Å; Y314-L326 PolarHBondContact N-O 3.48Å; Y314-L326 PolarHBondContact O-N 3.46Å; Y314-T328 PolarHBondContact OH-OG1 2.65Å; Y314-H348 PolarHBondContact OH-ND1 2.89Å
315R95.9Very high95.1Very high22 Ų2245.2 Ų45.28%0.08323%0.23CC..EExtended strand (participates in β ladder)trans-97.3131.8179.6-71.1162.7-68.6177.64.4112E240 H289 D291 D292 W323 I324 W325E240-R315 WeakPolarHBondContact OE1-CD 3.41Å; E240-R315 IonicContact OE1-CZ 3.73Å; E240-R315 IonicContact OE1-NE 3.41Å; E240-R315 IonicContact OE1-NH1 3.61Å; E240-R315 PolarHBondContact OE1-NH1 3.11Å; H289-R315 HydrophobicContact CB-CB 3.71Å; H289-R315 PolarHBondContact N-O 3.05Å; H289-R315 VanDerWaalsContact N-O 3.1Å; H289-R315 PolarHBondContact ND1-NH2 2.95Å; H289-R315 VanDerWaalsContact ND1-NH2 3.18Å; D291-R315 IonicContact OD2-CZ 3.68Å; D291-R315 IonicContact OD2-NH1 2.64Å; D291-R315 IonicContact OD2-NH2 3.67Å; D291-R315 PolarHBondContact OD2-NH2 2.94Å; D292-R315 IonicContact OD1-CZ 3.8Å; D292-R315 IonicContact OD1-NE 2.77Å; D292-R315 IonicContact OD1-NH2 2.74Å; D292-R315 PolarHBondContact OD1-NH2 3.28Å; D292-R315 WeakPolarHBondContact OD2-CB 3.27Å; D292-R315 IonicContact OD2-CZ 2.74Å; D292-R315 PolarHBondContact OD2-N 3.45Å; D292-R315 IonicContact OD2-NE 3.8Å; D292-R315 PolarHBondContact OD2-NE 3.45Å; D292-R315 IonicContact OD2-NH2 3.91Å; R315-W323 HydrophobicContact CB-CB 4.15Å; R315-W323 HydrophobicContact CB-CD2 4.28Å; R315-W323 HydrophobicContact CB-CE3 3.85Å; R315-W323 HydrophobicContact CB-CG 4.42Å; R315-W323 HydrophobicContact CG-CB 4.33Å; R315-I324 WeakPolarHBondContact CA-O 3.36Å; R315-W325 HydrophobicContact CG-CD2 3.64Å; R315-W325 HydrophobicContact CG-CE3 3.79Å; R315-W325 HydrophobicContact CG-CG 4.3Å; R315-W325 HydrophobicContact CG-CH2 3.8Å; R315-W325 HydrophobicContact CG-CZ2 3.65Å; R315-W325 HydrophobicContact CG-CZ3 3.87Å
316F97Very high95Very high4 Ų438.4 Ų38.42%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-115128.9176.7-172.3-82.7000110.4F261 I272 Y274 Y287 Y288 Y314 T318 W323 I324 L326F261-F316 HydrophobicContact CZ-CE2 4.41Å; I272-F316 HydrophobicContact CB-CD1 4.35Å; I272-F316 HydrophobicContact CB-CE1 3.93Å; I272-F316 HydrophobicContact CD1-CE1 3.9Å; I272-F316 HydrophobicContact CD1-CZ 4.09Å; I272-F316 HydrophobicContact CG2-CD1 3.68Å; I272-F316 HydrophobicContact CG2-CE1 3.65Å; Y274-F316 HydrophobicContact CD2-CE1 4.49Å; Y274-F316 HydrophobicContact CE2-CE1 4.24Å; Y287-F316 HydrophobicContact CD1-CE1 4.23Å; Y287-F316 AromaticContact CD1-CZ 3.88Å; Y287-F316 HydrophobicContact CD1-CZ 3.88Å; Y287-F316 HydrophobicContact CD2-CE2 4.48Å; Y287-F316 HydrophobicContact CD2-CZ 4.39Å; Y287-F316 HydrophobicContact CG-CE1 4.36Å; Y287-F316 AromaticContact CG-CE2 3.94Å; Y287-F316 HydrophobicContact CG-CE2 3.94Å; Y287-F316 AromaticContact CG-CZ 3.67Å; Y287-F316 HydrophobicContact CG-CZ 3.67Å; Y287-F316 CarbonylContact O-C 3.57Å; Y287-F316 WeakPolarHBondContact O-CA 3.33Å; Y288-F316 HydrophobicContact CD1-CD2 4.1Å; Y288-F316 AromaticContact CE1-CD2 3.99Å; Y288-F316 HydrophobicContact CE1-CD2 3.99Å; Y288-F316 HydrophobicContact CE1-CE2 4.38Å; Y314-F316 HydrophobicContact CE2-CB 4.17Å; Y314-F316 HydrophobicContact CE2-CD2 4.35Å; F316-T318 PolarHBondContact O-N 2.99Å; F316-W323 WeakPolarHBondContact O-CA 3.34Å; F316-I324 HydrophobicContact CB-CG1 4.13Å; F316-I324 PolarHBondContact N-O 3.37Å; F316-I324 PolarHBondContact O-N 3.36Å; F316-L326 HydrophobicContact CB-CD1 3.51Å; F316-L326 HydrophobicContact CB-CG 3.98Å; F316-L326 HydrophobicContact CD2-CD1 4.09Å; F316-L326 HydrophobicContact CG-CD1 3.81Å
317L97.2Very high94.9Very high29 Ų2933.3 Ų33.315%0.15218%0.176CC..EExtended strand (participates in β ladder)trans-75.8118.3179.5-174.759.4000109.9L238 Y274 Y287 W323L238-L317 HydrophobicContact CD1-CD1 4.18Å; L238-L317 HydrophobicContact CD2-CD1 4.45Å; L238-L317 HydrophobicContact CG-CD1 4.4Å; Y274-L317 WeakPolarHBondContact CE2-O 3.44Å; Y287-L317 PolarHBondContact O-N 3.04Å; L317-W323 HydrophobicContact CB-CE3 3.94Å; L317-W323 HydrophobicContact CB-CH2 3.96Å; L317-W323 HydrophobicContact CB-CZ3 3.55Å; L317-W323 HydrophobicContact CD1-CD2 4.38Å; L317-W323 HydrophobicContact CD1-CE3 4.46Å; L317-W323 HydrophobicContact CD1-CH2 4.42Å; L317-W323 HydrophobicContact CD1-CZ2 4.34Å; L317-W323 HydrophobicContact CD1-CZ3 4.49Å
318T95.4Very high95Very high7 Ų732.9 Ų32.94%0.04317%0.171CC..  trans-82.7162173.3760000111.2I272 F316 G320 Q321 Q322 I324I272-T318 WeakPolarHBondContact O-CA 3.3Å; F316-T318 PolarHBondContact O-N 2.99Å; T318-G320 PolarHBondContact O-N 3.08Å; T318-G320 VanDerWaalsContact O-N 3.11Å; T318-G320 PolarHBondContact OG1-N 3.03Å; T318-Q321 PolarHBondContact O-N 3.13Å; T318-Q322 PolarHBondContact N-O 3.43Å; T318-Q322 PolarHBondContact OG1-N 3.32Å; T318-Q322 PolarHBondContact OG1-O 3.47Å; T318-I324 HydrophobicContact CG2-CB 4.34Å; T318-I324 HydrophobicContact CG2-CD1 4.14Å; T318-I324 HydrophobicContact CG2-CG1 3.91Å; T318-I324 HydrophobicContact CG2-CG2 3.66Å
319K95.5Very high95Very high90 Ų9030 Ų3039%0.39116%0.16SC..THydrogen-bonded Turntrans-59.4-19.9171.2-164.3179.6-173.8172.60113.5I272 G273 Y274 E278 Q321I272-K319 PolarHBondContact O-N 3.29Å; G273-K319 WeakPolarHBondContact O-CD 3.44Å; Y274-K319 HydrophobicContact CD1-CB 3.8Å; Y274-K319 HydrophobicContact CD1-CD 4.05Å; Y274-K319 HydrophobicContact CD1-CG 3.95Å; Y274-K319 HydrophobicContact CD2-CB 4.31Å; Y274-K319 HydrophobicContact CE1-CB 3.67Å; Y274-K319 HydrophobicContact CE1-CD 4.45Å; Y274-K319 HydrophobicContact CE1-CG 3.86Å; Y274-K319 HydrophobicContact CE2-CB 4.21Å; Y274-K319 HydrophobicContact CG-CB 4.12Å; E278-K319 WeakPolarHBondContact OE1-CE 3.38Å; E278-K319 IonicContact OE1-NZ 2.79Å; E278-K319 PolarHBondContact OE1-NZ 3.48Å; E278-K319 IonicContact OE2-NZ 3.65Å; E278-K319 PolarHBondContact OE2-NZ 3.49Å; K319-Q321 PolarHBondContact O-N 3.12Å
320G91.1Very high95.1Very high52 Ų5229.1 Ų29.154%0.53615%0.149SC..THydrogen-bonded Turntrans-77.82.8173.300000114.2T318 Q322T318-G320 PolarHBondContact O-N 3.08Å; T318-G320 VanDerWaalsContact O-N 3.11Å; T318-G320 PolarHBondContact OG1-N 3.03Å; G320-Q322 PolarHBondContact O-N 3.4Å
321Q91.5Very high95.2Very high98 Ų9830.5 Ų30.546%0.45815%0.153SC..SBendtrans61.232.1-172.9-58.8-59.7126.900113.3L238 T318 K319L238-Q321 HydrophobicContact CD1-CB 3.84Å; L238-Q321 VanDerWaalsContact CD1-O 3.22Å; L238-Q321 WeakPolarHBondContact CD1-O 3.18Å; T318-Q321 PolarHBondContact O-N 3.13Å; K319-Q321 PolarHBondContact O-N 3.12Å
322Q90.9Very high95.3Very high32 Ų3230.7 Ų30.715%0.1515%0.153CC..EExtended strand (participates in β ladder)trans-112.2152.8173.2-64.3163.1-29.100109.8E91 K239 T318 G320E91-Q322 PolarHBondContact OE1-NE2 3.16Å; K239-Q322 CarbonylContact O-C 3.54Å; K239-Q322 WeakPolarHBondContact O-CA 3.45Å; T318-Q322 PolarHBondContact N-O 3.43Å; T318-Q322 PolarHBondContact OG1-N 3.32Å; T318-Q322 PolarHBondContact OG1-O 3.47Å; G320-Q322 PolarHBondContact O-N 3.4Å
323W93.4Very high95.5Very high28 Ų2831.9 Ų31.911%0.10616%0.16CC..EExtended strand (participates in β ladder)trans-94.1118.2170.2-63.7111.6000109.8L238 K239 E240 M241 H289 R315 F316 L317L238-W323 HydrophobicContact CD2-CZ2 3.62Å; L238-W323 VanDerWaalsContact CD2-NE1 3.32Å; K239-W323 PolarHBondContact O-N 3.25Å; E240-W323 CarbonylContact C-O 3.46Å; E240-W323 VanDerWaalsContact CA-O 3.3Å; E240-W323 WeakPolarHBondContact CA-O 3.42Å; E240-W323 HydrophobicContact CG-CB 4.04Å; M241-W323 PolarHBondContact N-O 3.36Å; H289-W323 HydrophobicContact CB-CD2 4.49Å; H289-W323 HydrophobicContact CB-CE3 4.06Å; H289-W323 HydrophobicContact CB-CH2 3.93Å; H289-W323 HydrophobicContact CB-CZ2 4.36Å; H289-W323 HydrophobicContact CB-CZ3 3.75Å; H289-W323 AromaticContact CD2-CD2 3.9Å; H289-W323 AromaticContact CD2-CE2 3.44Å; H289-W323 VanDerWaalsContact CD2-CE2 3.44Å; H289-W323 AromaticContact CD2-CH2 3.95Å; H289-W323 AromaticContact CD2-CZ2 3.48Å; H289-W323 VanDerWaalsContact CD2-CZ2 3.48Å; H289-W323 WeakPolarHBondContact CD2-CZ2 3.46Å; H289-W323 AromaticContact CD2-NE1 3.73Å; R315-W323 HydrophobicContact CB-CB 4.15Å; R315-W323 HydrophobicContact CB-CD2 4.28Å; R315-W323 HydrophobicContact CB-CE3 3.85Å; R315-W323 HydrophobicContact CB-CG 4.42Å; R315-W323 HydrophobicContact CG-CB 4.33Å; F316-W323 WeakPolarHBondContact O-CA 3.34Å; L317-W323 HydrophobicContact CB-CE3 3.94Å; L317-W323 HydrophobicContact CB-CH2 3.96Å; L317-W323 HydrophobicContact CB-CZ3 3.55Å; L317-W323 HydrophobicContact CD1-CD2 4.38Å; L317-W323 HydrophobicContact CD1-CE3 4.46Å; L317-W323 HydrophobicContact CD1-CH2 4.42Å; L317-W323 HydrophobicContact CD1-CZ2 4.34Å; L317-W323 HydrophobicContact CD1-CZ3 4.49Å
324I93.3Very high95.6Very high10 Ų1036.6 Ų36.65%0.05118%0.177CC..EExtended strand (participates in β ladder)trans-95.6139.9166.259.6170.9000109.7M241 I271 I272 R315 F316 T318 L326 V350M241-I324 HydrophobicContact CB-CG2 3.95Å; I271-I324 HydrophobicContact CG2-CD1 3.74Å; I272-I324 HydrophobicContact CG2-CD1 3.53Å; R315-I324 WeakPolarHBondContact CA-O 3.36Å; F316-I324 HydrophobicContact CB-CG1 4.13Å; F316-I324 PolarHBondContact N-O 3.37Å; F316-I324 PolarHBondContact O-N 3.36Å; T318-I324 HydrophobicContact CG2-CB 4.34Å; T318-I324 HydrophobicContact CG2-CD1 4.14Å; T318-I324 HydrophobicContact CG2-CG1 3.91Å; T318-I324 HydrophobicContact CG2-CG2 3.66Å; I324-L326 HydrophobicContact CD1-CD1 4.38Å; I324-L326 HydrophobicContact CD1-CD2 3.68Å; I324-L326 HydrophobicContact CD1-CG 4.09Å; I324-L326 HydrophobicContact CG1-CD2 4.13Å; I324-L326 HydrophobicContact CG1-CG 4.11Å; I324-V350 HydrophobicContact CD1-CG2 4.42Å
325W93.8Very high95.6Very high1 Ų139.7 Ų39.70%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-77.4121.7170.4-77.198.3000109.4L177 E240 C313 R315 V350 V351 Y353 V356L177-W325 HydrophobicContact CD1-CH2 3.92Å; L177-W325 HydrophobicContact CD1-CZ2 3.78Å; E240-W325 PolarHBondContact OE2-NE1 3.37Å; C313-W325 HydrophobicContact CB-CE3 4.08Å; C313-W325 HydrophobicContact CB-CZ3 4.32Å; R315-W325 HydrophobicContact CG-CD2 3.64Å; R315-W325 HydrophobicContact CG-CE3 3.79Å; R315-W325 HydrophobicContact CG-CG 4.3Å; R315-W325 HydrophobicContact CG-CH2 3.8Å; R315-W325 HydrophobicContact CG-CZ2 3.65Å; R315-W325 HydrophobicContact CG-CZ3 3.87Å; W325-V350 WeakPolarHBondContact O-CA 3.36Å; W325-V351 WeakPolarHBondContact CB-O 3.44Å; W325-V351 PolarHBondContact O-N 3.24Å; W325-Y353 AromaticContact NE1-CD2 3.79Å; W325-V356 HydrophobicContact CB-CG2 4.05Å; W325-V356 HydrophobicContact CD2-CB 4.46Å; W325-V356 HydrophobicContact CD2-CG1 4.13Å; W325-V356 HydrophobicContact CD2-CG2 3.76Å; W325-V356 HydrophobicContact CE3-CG1 3.89Å; W325-V356 HydrophobicContact CE3-CG2 3.81Å; W325-V356 HydrophobicContact CG-CG2 3.89Å; W325-V356 HydrophobicContact CH2-CG1 3.93Å; W325-V356 HydrophobicContact CZ2-CG1 4.15Å; W325-V356 HydrophobicContact CZ3-CG1 3.79Å
326L95.3Very high95.6Very high0 Ų046.7 Ų46.70%023%0.225CC..EExtended strand (participates in β ladder)trans-118.5152.8176.7-65.3-173.8000110.9F251 C313 Y314 F316 I324 H348 S349 V350F251-L326 HydrophobicContact CE1-CD1 4.11Å; F251-L326 HydrophobicContact CE1-CD2 4.12Å; F251-L326 HydrophobicContact CZ-CD1 3.94Å; C313-L326 WeakPolarHBondContact CA-O 3.46Å; Y314-L326 HydrophobicContact CD1-CB 4.49Å; Y314-L326 WeakPolarHBondContact CD1-O 3.2Å; Y314-L326 HydrophobicContact CE1-CB 3.95Å; Y314-L326 HydrophobicContact CE2-CB 3.99Å; Y314-L326 HydrophobicContact CE2-CD1 4.22Å; Y314-L326 PolarHBondContact N-O 3.48Å; Y314-L326 PolarHBondContact O-N 3.46Å; F316-L326 HydrophobicContact CB-CD1 3.51Å; F316-L326 HydrophobicContact CB-CG 3.98Å; F316-L326 HydrophobicContact CD2-CD1 4.09Å; F316-L326 HydrophobicContact CG-CD1 3.81Å; I324-L326 HydrophobicContact CD1-CD1 4.38Å; I324-L326 HydrophobicContact CD1-CD2 3.68Å; I324-L326 HydrophobicContact CD1-CG 4.09Å; I324-L326 HydrophobicContact CG1-CD2 4.13Å; I324-L326 HydrophobicContact CG1-CG 4.11Å; L326-H348 HydrophobicContact CD1-CB 4.39Å; L326-S349 CarbonylContact C-O 3.57Å; L326-S349 VanDerWaalsContact CA-O 3.3Å; L326-S349 WeakPolarHBondContact CA-O 3.49Å; L326-V350 HydrophobicContact CD2-CB 4.4Å; L326-V350 HydrophobicContact CD2-CG2 3.83Å
327Q95.3Very high95.4Very high22 Ų2257 Ų5710%0.10326%0.264CS..EExtended strand (participates in β ladder)trans-135.5131.9163.4-166.1177.462.400109.1K310 C313 S349 V351 E359K310-Q327 HydrophobicContact CG-CG 4.44Å; C313-Q327 PolarHBondContact SG-NE2 3.08Å; Q327-S349 PolarHBondContact N-O 2.98Å; Q327-S349 PolarHBondContact O-N 3.49Å; Q327-V351 HydrophobicContact CB-CG2 3.62Å; Q327-E359 PolarHBondContact NE2-OE1 3.41Å; Q327-E359 PolarHBondContact NE2-OE2 3.45Å
328T97.9Very high95.4Very high2 Ų259.7 Ų59.71%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-118.4131-167.5-61.80000111.6K310 S311 Y314 Y330 C346 T347 H348K310-T328 CarbonylContact C-O 3.51Å; K310-T328 WeakPolarHBondContact CA-O 3.47Å; S311-T328 PolarHBondContact N-O 3.15Å; S311-T328 PolarHBondContact OG-N 2.7Å; Y314-T328 PolarHBondContact OH-OG1 2.65Å; T328-Y330 HydrophobicContact CG2-CD1 3.54Å; T328-Y330 HydrophobicContact CG2-CE1 4.08Å; T328-Y330 HydrophobicContact CG2-CG 4.28Å; T328-C346 HydrophobicContact CG2-CB 3.78Å; T328-T347 CarbonylContact C-O 3.48Å; T328-T347 VanDerWaalsContact CA-O 3.31Å; T328-T347 WeakPolarHBondContact CA-O 3.38Å; T328-H348 PolarHBondContact OG1-ND1 2.92Å
329H98.2Very high95.3Very high88 Ų8864 Ų6441%0.40731%0.309SS..EExtended strand (participates in β ladder)trans-97.3130.4164.9-65.987.8000108.6T347H329-T347 PolarHBondContact N-O 2.67Å; H329-T347 PolarHBondContact O-N 2.84Å
330Y97.8Very high95.4Very high6 Ų666.4 Ų66.42%0.02432%0.319CS..EExtended strand (participates in β ladder)trans-140151.1-176.333.3-135000113.8W259 C299 H300 L303 K308 G309 K310 S311 T328 V345W259-Y330 HydrophobicContact CH2-CD1 4.06Å; W259-Y330 HydrophobicContact CH2-CE1 4.48Å; W259-Y330 HydrophobicContact CZ2-CD1 4.46Å; C299-Y330 WeakPolarHBondContact CB-OH 3.4Å; H300-Y330 AromaticContact CD2-CE1 3.8Å; H300-Y330 AromaticContact NE2-CE1 3.82Å; L303-Y330 HydrophobicContact CB-CD2 4.32Å; L303-Y330 HydrophobicContact CB-CE2 4.3Å; L303-Y330 HydrophobicContact CD1-CD2 3.9Å; L303-Y330 HydrophobicContact CD1-CG 4.44Å; L303-Y330 HydrophobicContact CD2-CD1 4.31Å; L303-Y330 HydrophobicContact CD2-CD2 3.82Å; L303-Y330 HydrophobicContact CD2-CE2 4.37Å; L303-Y330 HydrophobicContact CD2-CG 3.81Å; L303-Y330 HydrophobicContact CG-CD2 4.22Å; K308-Y330 CarbonylContact C-O 3.5Å; K308-Y330 VanDerWaalsContact CA-O 3.24Å; K308-Y330 WeakPolarHBondContact CA-O 3.28Å; G309-Y330 VanDerWaalsContact C-CE2 3.47Å; G309-Y330 PolarHBondContact N-O 2.69Å; G309-Y330 VanDerWaalsContact O-CD2 3.31Å; G309-Y330 WeakPolarHBondContact O-CD2 3.41Å; G309-Y330 PolarHBondContact O-N 2.8Å; K310-Y330 VanDerWaalsContact C-OH 3.28Å; K310-Y330 PolarHBondContact O-OH 3.18Å; S311-Y330 WeakPolarHBondContact CA-OH 3.35Å; S311-Y330 VanDerWaalsContact CB-OH 3.31Å; S311-Y330 WeakPolarHBondContact CB-OH 3.41Å; S311-Y330 PolarHBondContact N-OH 2.86Å; T328-Y330 HydrophobicContact CG2-CD1 3.54Å; T328-Y330 HydrophobicContact CG2-CE1 4.08Å; T328-Y330 HydrophobicContact CG2-CG 4.28Å; Y330-V345 WeakPolarHBondContact CA-O 3.37Å; Y330-V345 WeakPolarHBondContact CB-O 3.35Å
331Y98.5Very high95.6Very high119 Ų11966.6 Ų66.647%0.46731%0.312SS..EExtended strand (participates in β ladder)trans-148151.3174.864.9-87000111.8G307 I344 V345G307-Y331 CarbonylContact O-C 3.55Å; G307-Y331 WeakPolarHBondContact O-CA 3.47Å; Y331-I344 WeakPolarHBondContact O-CA 3.46Å; Y331-V345 HydrophobicContact CD1-CB 4.23Å; Y331-V345 HydrophobicContact CD2-CB 4.48Å; Y331-V345 HydrophobicContact CE1-CB 3.73Å; Y331-V345 HydrophobicContact CE1-CG1 3.87Å; Y331-V345 HydrophobicContact CE1-CG2 4.39Å; Y331-V345 HydrophobicContact CE2-CB 4Å; Y331-V345 HydrophobicContact CE2-CG2 3.82Å; Y331-V345 PolarHBondContact N-O 2.94Å; Y331-V345 VanDerWaalsContact N-O 3.08Å; Y331-V345 PolarHBondContact O-N 2.89Å
332I98.5Very high95.8Very high12 Ų1266.5 Ų66.56%0.06231%0.311CS..EExtended strand (participates in β ladder)trans-86.9127.3177.3-54.6-175.6000108.8L303 M304 G307 Y334 P341 I344L303-I332 HydrophobicContact CD1-CG1 4.01Å; L303-I332 HydrophobicContact CG-CD1 4.45Å; L303-I332 HydrophobicContact CG-CG1 4.22Å; M304-I332 HydrophobicContact CE-CD1 3.78Å; M304-I332 HydrophobicContact CE-CG1 4.4Å; M304-I332 HydrophobicContact SD-CD1 3.95Å; G307-I332 PolarHBondContact O-N 3.23Å; I332-Y334 HydrophobicContact CB-CE2 3.75Å; I332-Y334 HydrophobicContact CG2-CD2 4.26Å; I332-Y334 HydrophobicContact CG2-CE1 4.15Å; I332-Y334 HydrophobicContact CG2-CE2 3.79Å; I332-Y334 WeakPolarHBondContact O-CD2 3.47Å; I332-Y334 WeakPolarHBondContact O-CE2 3.4Å; I332-P341 HydrophobicContact CG2-CB 3.53Å; I332-I344 HydrophobicContact CG1-CG1 4.22Å
333T98.1Very high96.2Very high37 Ų3766.4 Ų66.423%0.22731%0.31CS..EExtended strand (participates in β ladder)trans-86.9131.1168.3-61.90000109E342 F343T333-E342 PolarHBondContact O-N 3.38Å; T333-F343 HydrophobicContact CG2-CE1 4.33Å; T333-F343 HydrophobicContact CG2-CE2 3.92Å; T333-F343 HydrophobicContact CG2-CZ 3.74Å; T333-F343 PolarHBondContact N-O 3.46Å; T333-F343 VanDerWaalsContact OG1-CE2 3.3Å; T333-F343 WeakPolarHBondContact OG1-CE2 3.44Å
334Y97Very high96.4Very high107 Ų10765 Ų6542%0.4231%0.305SS..EExtended strand (participates in β ladder)trans-109.5134.2-179.9-62.4-97.7000110.5I332 Q336 K340 P341I332-Y334 HydrophobicContact CB-CE2 3.75Å; I332-Y334 HydrophobicContact CG2-CD2 4.26Å; I332-Y334 HydrophobicContact CG2-CE1 4.15Å; I332-Y334 HydrophobicContact CG2-CE2 3.79Å; I332-Y334 WeakPolarHBondContact O-CD2 3.47Å; I332-Y334 WeakPolarHBondContact O-CE2 3.4Å; Y334-Q336 PolarHBondContact O-N 2.99Å; Y334-K340 CarbonylContact C-O 3.46Å; Y334-K340 WeakPolarHBondContact CA-O 3.37Å; Y334-P341 HydrophobicContact CD1-CB 4.12Å; Y334-P341 HydrophobicContact CE1-CB 3.99Å
335H96Very high96.7Very high67 Ų6765.1 Ų65.131%0.3131%0.306SS..  trans-68.2120-177.1175-93.9000111.1W337 N338 S339 K340 E342H335-W337 AromaticContact CE1-CD1 3.73Å; H335-W337 AromaticContact NE2-CD1 3.92Å; H335-W337 PolarHBondContact O-N 3.31Å; H335-N338 PolarHBondContact ND1-ND2 3.44Å; H335-N338 PolarHBondContact ND1-OD1 3.16Å; H335-N338 VanDerWaalsContact ND1-OD1 3.08Å; H335-N338 PolarHBondContact O-N 3.36Å; H335-N338 PolarHBondContact O-OD1 3.48Å; H335-S339 PolarHBondContact O-N 3.46Å; H335-K340 PolarHBondContact N-O 3Å; H335-E342 HydrophobicContact CB-CB 4.38Å; H335-E342 WeakPolarHBondContact CB-OE2 3.43Å; H335-E342 IonicContact CD2-OE2 3.55Å; H335-E342 IonicContact CG-OE2 3.32Å
336Q95.1Very high96.9Very high170 Ų17065.1 Ų65.179%0.79431%0.306SS*.THydrogen-bonded Turntrans-54.3-28.6-163.1-63.6178.9-5.800115.4Y334Y334-Q336 PolarHBondContact O-N 2.99Å
337W94.4Very high97.1Very high220 Ų22066.7 Ų66.783%0.83332%0.316SS*.THydrogen-bonded Turntrans-98.9-9.5-171.6-53.3101.1000115.1H335H335-W337 AromaticContact CE1-CD1 3.73Å; H335-W337 AromaticContact NE2-CD1 3.92Å; H335-W337 PolarHBondContact O-N 3.31Å
338N95.9Very high97.2Very high86 Ų8665.9 Ų65.946%0.4631%0.312SS..THydrogen-bonded Turntrans-142.62.5-176.866.621000114.4H335 K340H335-N338 PolarHBondContact ND1-ND2 3.44Å; H335-N338 PolarHBondContact ND1-OD1 3.16Å; H335-N338 VanDerWaalsContact ND1-OD1 3.08Å; H335-N338 PolarHBondContact O-N 3.36Å; H335-N338 PolarHBondContact O-OD1 3.48Å; N338-K340 PolarHBondContact O-N 2.92Å; N338-K340 WeakPolarHBondContact OD1-CB 3.12Å; N338-K340 PolarHBondContact OD1-N 3.01Å; N338-K340 VanDerWaalsContact OD1-N 3.09Å
339S94.5Very high97Very high96 Ų9667.5 Ų67.567%0.67132%0.323SS*.  trans55.518.7178.5-52.10000115.2H335H335-S339 PolarHBondContact O-N 3.46Å
340K96.2Very high96.8Very high141 Ų14164.5 Ų64.561%0.61331%0.311SS*.  trans-80.9143.9173.4-67-170.2174.7-172.40110.3Y334 H335 N338Y334-K340 CarbonylContact C-O 3.46Å; Y334-K340 WeakPolarHBondContact CA-O 3.37Å; H335-K340 PolarHBondContact N-O 3Å; N338-K340 PolarHBondContact O-N 2.92Å; N338-K340 WeakPolarHBondContact OD1-CB 3.12Å; N338-K340 PolarHBondContact OD1-N 3.01Å; N338-K340 VanDerWaalsContact OD1-N 3.09Å
341P96.4Very high96.4Very high57 Ų5765.1 Ų65.137%0.3732%0.316SS..EExtended strand (participates in β ladder)trans-63137.7171.229.4-35.9000110L257 I332 Y334L257-P341 HydrophobicContact CD1-CB 4.08Å; L257-P341 HydrophobicContact CD1-CG 3.78Å; L257-P341 HydrophobicContact CD2-CB 4.02Å; I332-P341 HydrophobicContact CG2-CB 3.53Å; Y334-P341 HydrophobicContact CD1-CB 4.12Å; Y334-P341 HydrophobicContact CE1-CB 3.99Å
342E95.9Very high96Very high96 Ų9660.8 Ų60.845%0.44930%0.302SS..EExtended strand (participates in β ladder)trans-111.8-53.5-173-164.1-176.5138.500111.2T333 H335T333-E342 PolarHBondContact O-N 3.38Å; H335-E342 HydrophobicContact CB-CB 4.38Å; H335-E342 WeakPolarHBondContact CB-OE2 3.43Å; H335-E342 IonicContact CD2-OE2 3.55Å; H335-E342 IonicContact CG-OE2 3.32Å
343F98.2Very high95.5Very high29 Ų2960.7 Ų60.713%0.12730%0.301CS..EExtended strand (participates in β ladder)trans-154.9159.7173.751.7-100.2000110.6R254 H255 L262 T333 V345R254-F343 HydrophobicContact CB-CD2 4.29Å; R254-F343 HydrophobicContact CG-CD2 4.26Å; R254-F343 HydrophobicContact CG-CE2 4.46Å; H255-F343 WeakPolarHBondContact O-CA 3.34Å; H255-F343 WeakPolarHBondContact O-CB 3.27Å; L262-F343 HydrophobicContact CD1-CB 4.05Å; T333-F343 HydrophobicContact CG2-CE1 4.33Å; T333-F343 HydrophobicContact CG2-CE2 3.92Å; T333-F343 HydrophobicContact CG2-CZ 3.74Å; T333-F343 PolarHBondContact N-O 3.46Å; T333-F343 VanDerWaalsContact OG1-CE2 3.3Å; T333-F343 WeakPolarHBondContact OG1-CE2 3.44Å; F343-V345 HydrophobicContact CD2-CG2 3.87Å; F343-V345 HydrophobicContact CE2-CG2 3.62Å
344I98.8Very high95.1Very high0 Ų060.6 Ų60.60%030%0.304CS..EExtended strand (participates in β ladder)trans-88.1138.9166.3-56.198.9000108.5R254 H255 S256 L257 W259 L303 M304 Y331 I332R254-I344 CarbonylContact C-O 3.56Å; R254-I344 WeakPolarHBondContact CA-O 3.37Å; R254-I344 WeakPolarHBondContact CB-O 3.39Å; H255-I344 HydrophobicContact CB-CB 4.45Å; H255-I344 HydrophobicContact CB-CD1 4.46Å; H255-I344 PolarHBondContact N-O 2.82Å; H255-I344 PolarHBondContact O-N 2.74Å; S256-I344 WeakPolarHBondContact O-CD1 3.25Å; L257-I344 HydrophobicContact CD2-CD1 3.92Å; W259-I344 HydrophobicContact CE3-CD1 3.99Å; W259-I344 HydrophobicContact CH2-CG2 4.13Å; W259-I344 HydrophobicContact CZ3-CB 4.14Å; W259-I344 HydrophobicContact CZ3-CD1 3.85Å; W259-I344 HydrophobicContact CZ3-CG1 3.89Å; W259-I344 HydrophobicContact CZ3-CG2 3.98Å; L303-I344 HydrophobicContact CD2-CG1 4.27Å; L303-I344 HydrophobicContact CD2-CG2 3.79Å; M304-I344 HydrophobicContact CE-CD1 4.01Å; M304-I344 HydrophobicContact CE-CG1 3.99Å; Y331-I344 WeakPolarHBondContact O-CA 3.46Å; I332-I344 HydrophobicContact CG1-CG1 4.22Å
345V98.8Very high94.7Very high12 Ų1259.8 Ų59.87%0.07331%0.307CS..EExtended strand (participates in β ladder)trans-101.2131.4164.7-175.80000108.1T252 R254 Y330 Y331 F343T252-V345 HydrophobicContact CG2-CG1 4.12Å; R254-V345 HydrophobicContact CG-CG1 4.48Å; R254-V345 HydrophobicContact CG-CG2 4.16Å; Y330-V345 WeakPolarHBondContact CA-O 3.37Å; Y330-V345 WeakPolarHBondContact CB-O 3.35Å; Y331-V345 HydrophobicContact CD1-CB 4.23Å; Y331-V345 HydrophobicContact CD2-CB 4.48Å; Y331-V345 HydrophobicContact CE1-CB 3.73Å; Y331-V345 HydrophobicContact CE1-CG1 3.87Å; Y331-V345 HydrophobicContact CE1-CG2 4.39Å; Y331-V345 HydrophobicContact CE2-CB 4Å; Y331-V345 HydrophobicContact CE2-CG2 3.82Å; Y331-V345 PolarHBondContact N-O 2.94Å; Y331-V345 VanDerWaalsContact N-O 3.08Å; Y331-V345 PolarHBondContact O-N 2.89Å; F343-V345 HydrophobicContact CD2-CG2 3.87Å; F343-V345 HydrophobicContact CE2-CG2 3.62Å
346C98.8Very high94.4Very high0 Ų056.8 Ų56.80%029%0.294CS..EExtended strand (participates in β ladder)trans-121.7123.5178.6-62.70000109.7T252 S253 T328 H348T252-C346 WeakPolarHBondContact CA-O 3.22Å; S253-C346 PolarHBondContact N-O 3.38Å; S253-C346 PolarHBondContact O-N 2.65Å; S253-C346 WeakPolarHBondContact OG-CB 3.22Å; T328-C346 HydrophobicContact CG2-CB 3.78Å; C346-H348 WeakPolarHBondContact CB-NE2 3.31Å
347T98.1Very high94Very high34 Ų3449.9 Ų49.921%0.20926%0.26CS..EExtended strand (participates in β ladder)trans-102110.1167.9-82.10000107.1E250 T328 H329E250-T347 VanDerWaalsContact CD-CG2 3.43Å; E250-T347 HydrophobicContact CG-CG2 3.67Å; E250-T347 WeakPolarHBondContact OE2-CG2 3.26Å; T328-T347 CarbonylContact C-O 3.48Å; T328-T347 VanDerWaalsContact CA-O 3.31Å; T328-T347 WeakPolarHBondContact CA-O 3.38Å; H329-T347 PolarHBondContact N-O 2.67Å; H329-T347 PolarHBondContact O-N 2.84Å
348H97.6Very high93.6Very high4 Ų443.5 Ų43.52%0.01925%0.245CC..EExtended strand (participates in β ladder)trans-98.9124.8-179.4-49.4-83.3000108.8E250 F251 S253 Y314 L326 T328 C346E250-H348 VanDerWaalsContact CA-O 3.28Å; E250-H348 WeakPolarHBondContact CA-O 3.48Å; E250-H348 WeakPolarHBondContact CG-O 3.21Å; F251-H348 HydrophobicContact CD1-CB 4Å; F251-H348 HydrophobicContact CD2-CB 4.27Å; F251-H348 AromaticContact CD2-CD2 3.58Å; F251-H348 HydrophobicContact CE1-CB 3.68Å; F251-H348 HydrophobicContact CE2-CB 3.98Å; F251-H348 AromaticContact CE2-CD2 3.25Å; F251-H348 WeakPolarHBondContact CE2-CD2 3.09Å; F251-H348 AromaticContact CE2-CG 3.72Å; F251-H348 AromaticContact CE2-NE2 3.97Å; F251-H348 HydrophobicContact CG-CB 4.29Å; F251-H348 HydrophobicContact CZ-CB 3.67Å; F251-H348 AromaticContact CZ-CD2 3.81Å; F251-H348 AromaticContact CZ-CG 3.76Å; F251-H348 PolarHBondContact N-O 2.89Å; F251-H348 PolarHBondContact O-CD2 2.96Å; F251-H348 PolarHBondContact O-N 2.97Å; S253-H348 PolarHBondContact OG-NE2 2.81Å; Y314-H348 PolarHBondContact OH-ND1 2.89Å; L326-H348 HydrophobicContact CD1-CB 4.39Å; T328-H348 PolarHBondContact OG1-ND1 2.92Å; C346-H348 WeakPolarHBondContact CB-NE2 3.31Å
349S94.5Very high93.2Very high37 Ų3741.8 Ų41.826%0.25924%0.235SC..EExtended strand (participates in β ladder)trans-105.8136.3168.9-55.80000108.8L326 Q327L326-S349 CarbonylContact C-O 3.57Å; L326-S349 VanDerWaalsContact CA-O 3.3Å; L326-S349 WeakPolarHBondContact CA-O 3.49Å; Q327-S349 PolarHBondContact N-O 2.98Å; Q327-S349 PolarHBondContact O-N 3.49Å
350V93.1Very high92.7Very high25 Ų2540.4 Ų40.415%0.15222%0.215CC..EExtended strand (participates in β ladder)trans-65.1152.8160.4-175.60000108.9V244 E249 I271 I324 W325 L326V244-V350 HydrophobicContact CG2-CG1 4.26Å; E249-V350 HydrophobicContact CB-CB 3.9Å; E249-V350 HydrophobicContact CB-CG2 4.35Å; E249-V350 HydrophobicContact CG-CB 4.02Å; E249-V350 PolarHBondContact O-N 3.11Å; I271-V350 HydrophobicContact CG2-CG2 3.66Å; I324-V350 HydrophobicContact CD1-CG2 4.42Å; W325-V350 WeakPolarHBondContact O-CA 3.36Å; L326-V350 HydrophobicContact CD2-CB 4.4Å; L326-V350 HydrophobicContact CD2-CG2 3.83Å
351V90.6Very high92.1Very high19 Ų1939.9 Ų39.912%0.11521%0.209CC..  trans-140.4138.5-178.3-177.60000108.8W325 Q327 D355 V356W325-V351 WeakPolarHBondContact CB-O 3.44Å; W325-V351 PolarHBondContact O-N 3.24Å; Q327-V351 HydrophobicContact CB-CG2 3.62Å; V351-D355 HydrophobicContact CG1-CB 3.68Å; V351-V356 HydrophobicContact CG1-CG2 3.96Å
352S89.1Confident91.5Very high27 Ų2743.4 Ų43.419%0.18922%0.22CC..  trans-72.1149.3177.187.40000111.7A354 D355 V356S352-A354 PolarHBondContact O-N 2.97Å; S352-A354 VanDerWaalsContact O-N 3.15Å; S352-A354 PolarHBondContact OG-N 3.32Å; S352-D355 WeakPolarHBondContact CB-OD2 3.23Å; S352-D355 PolarHBondContact O-N 3.4Å; S352-D355 PolarHBondContact OG-N 3.36Å; S352-D355 VanDerWaalsContact OG-N 3.17Å; S352-D355 PolarHBondContact OG-OD2 3.49Å; S352-V356 WeakPolarHBondContact O-CG2 3.35Å; S352-V356 PolarHBondContact O-N 3.21Å; S352-V356 VanDerWaalsContact O-N 3.07Å
353Y88.8Confident90.8Very high10 Ų1042.8 Ų42.84%0.03922%0.218CC..Hα-helixtrans-59.6-25.3173.8178.5-107.2000112.6T114 G118 L120 L177 W325 R357T114-Y353 HydrophobicContact CG2-CD1 3.22Å; T114-Y353 HydrophobicContact CG2-CE1 3.66Å; T114-Y353 HydrophobicContact CG2-CG 4.07Å; G118-Y353 WeakPolarHBondContact CA-OH 3.41Å; G118-Y353 VanDerWaalsContact O-CE1 3.29Å; G118-Y353 WeakPolarHBondContact O-CE1 3.32Å; G118-Y353 PolarHBondContact O-OH 3.22Å; L120-Y353 HydrophobicContact CD2-CD1 3.92Å; L177-Y353 HydrophobicContact CD1-CE2 4.2Å; L177-Y353 HydrophobicContact CD2-CE2 4.05Å; L177-Y353 HydrophobicContact CG-CE2 4.12Å; W325-Y353 AromaticContact NE1-CD2 3.79Å; Y353-R357 VanDerWaalsContact CE1-CD 3.48Å; Y353-R357 HydrophobicContact CE1-CG 4.19Å; Y353-R357 HydrophobicContact CE2-CG 4.45Å; Y353-R357 WeakPolarHBondContact O-CG 3.16Å; Y353-R357 PolarHBondContact O-N 3.43Å; Y353-R357 VanDerWaalsContact O-N 3.08Å
354A88.8Confident89.8Confident35 Ų3543.8 Ų43.829%0.28922%0.224SC..Hα-helixtrans-66.5-43.9173.200000112L120 S352 R357 V358L120-A354 HydrophobicContact CD1-CB 3.78Å; L120-A354 HydrophobicContact CD2-CB 4.03Å; S352-A354 PolarHBondContact O-N 2.97Å; S352-A354 VanDerWaalsContact O-N 3.15Å; S352-A354 PolarHBondContact OG-N 3.32Å; A354-R357 PolarHBondContact O-N 2.56Å; A354-V358 WeakPolarHBondContact O-CG2 3.18Å; A354-V358 PolarHBondContact O-N 2.85Å; A354-V358 VanDerWaalsContact O-N 3.11Å
355D88.6Confident88.7Confident91 Ų9147.4 Ų47.449%0.48725%0.253SS..Hα-helixtrans-67.5-39.2176.9-60.2-60.5000111.6V351 S352 R357 V358 E359V351-D355 HydrophobicContact CG1-CB 3.68Å; S352-D355 WeakPolarHBondContact CB-OD2 3.23Å; S352-D355 PolarHBondContact O-N 3.4Å; S352-D355 PolarHBondContact OG-N 3.36Å; S352-D355 VanDerWaalsContact OG-N 3.17Å; S352-D355 PolarHBondContact OG-OD2 3.49Å; D355-R357 VanDerWaalsContact C-N 3.29Å; D355-R357 PolarHBondContact O-N 3.07Å; D355-V358 WeakPolarHBondContact O-CA 3.49Å; D355-V358 WeakPolarHBondContact O-CB 3.27Å; D355-V358 PolarHBondContact O-N 2.95Å; D355-E359 PolarHBondContact O-N 3.45Å
356V89.9Confident87.5Confident3 Ų353.3 Ų53.32%0.01828%0.284CS..Hα-helixtrans-58.2-41.2172.9178.70000111.3L177 C313 W325 V351 S352 V358 R360L177-V356 HydrophobicContact CD2-CG1 4.14Å; C313-V356 HydrophobicContact CB-CG1 4.22Å; C313-V356 HydrophobicContact CB-CG2 3.87Å; W325-V356 HydrophobicContact CB-CG2 4.05Å; W325-V356 HydrophobicContact CD2-CB 4.46Å; W325-V356 HydrophobicContact CD2-CG1 4.13Å; W325-V356 HydrophobicContact CD2-CG2 3.76Å; W325-V356 HydrophobicContact CE3-CG1 3.89Å; W325-V356 HydrophobicContact CE3-CG2 3.81Å; W325-V356 HydrophobicContact CG-CG2 3.89Å; W325-V356 HydrophobicContact CH2-CG1 3.93Å; W325-V356 HydrophobicContact CZ2-CG1 4.15Å; W325-V356 HydrophobicContact CZ3-CG1 3.79Å; V351-V356 HydrophobicContact CG1-CG2 3.96Å; S352-V356 WeakPolarHBondContact O-CG2 3.35Å; S352-V356 PolarHBondContact O-N 3.21Å; S352-V356 VanDerWaalsContact O-N 3.07Å; V356-V358 VanDerWaalsContact C-N 3.29Å; V356-V358 PolarHBondContact O-N 3.42Å; V356-R360 WeakPolarHBondContact O-CB 3.43Å; V356-R360 PolarHBondContact O-N 3.22Å
357R87.3Confident85.7Confident26 Ų2660.9 Ų60.910%0.09832%0.32CS..Hα-helixtrans-68.1-24.1173.1-72.5177.385.1-140.510.1113.2L120 D123 L177 Y353 A354 D355 R361L120-R357 VanDerWaalsContact CD1-NH1 3.3Å; D123-R357 IonicContact OD1-NH1 3.79Å; D123-R357 IonicContact OD2-CZ 3.34Å; D123-R357 IonicContact OD2-NH1 3.74Å; D123-R357 PolarHBondContact OD2-NH1 3.17Å; D123-R357 IonicContact OD2-NH2 3.53Å; D123-R357 PolarHBondContact OD2-NH2 2.82Å; L177-R357 HydrophobicContact CD2-CG 3.66Å; Y353-R357 VanDerWaalsContact CE1-CD 3.48Å; Y353-R357 HydrophobicContact CE1-CG 4.19Å; Y353-R357 HydrophobicContact CE2-CG 4.45Å; Y353-R357 WeakPolarHBondContact O-CG 3.16Å; Y353-R357 PolarHBondContact O-N 3.43Å; Y353-R357 VanDerWaalsContact O-N 3.08Å; A354-R357 PolarHBondContact O-N 2.56Å; D355-R357 VanDerWaalsContact C-N 3.29Å; D355-R357 PolarHBondContact O-N 3.07Å; R357-R361 WeakPolarHBondContact O-CB 3.23Å; R357-R361 WeakPolarHBondContact O-CG 3.33Å; R357-R361 PolarHBondContact O-NH1 3.04Å
358V87.1Confident83.3Confident85 Ų8564 Ų6452%0.51534%0.335SS..Hα-helixtrans-79.4-50174.1173.40000110.4A354 D355 V356 R360 R361 Q362A354-V358 WeakPolarHBondContact O-CG2 3.18Å; A354-V358 PolarHBondContact O-N 2.85Å; A354-V358 VanDerWaalsContact O-N 3.11Å; D355-V358 WeakPolarHBondContact O-CA 3.49Å; D355-V358 WeakPolarHBondContact O-CB 3.27Å; D355-V358 PolarHBondContact O-N 2.95Å; V356-V358 VanDerWaalsContact C-N 3.29Å; V356-V358 PolarHBondContact O-N 3.42Å; V358-R360 PolarHBondContact O-N 2.89Å; V358-R361 PolarHBondContact O-N 2.99Å; V358-Q362 PolarHBondContact O-N 3.02Å; V358-Q362 VanDerWaalsContact O-N 3.08Å
359E86.3Confident80.6Confident50 Ų5068.4 Ų68.423%0.23436%0.364CS..Hα-helixtrans-57.4-50.1179.2-172.4167.8104.300110.9K310 C313 Q327 D355 R361 Q362 E363K310-E359 IonicContact NZ-OE2 3.62Å; K310-E359 PolarHBondContact NZ-OE2 3.26Å; C313-E359 PolarHBondContact N-OE1 3.34Å; C313-E359 PolarHBondContact SG-OE1 3.04Å; C313-E359 VanDerWaalsContact SG-OE1 3.42Å; Q327-E359 PolarHBondContact NE2-OE1 3.41Å; Q327-E359 PolarHBondContact NE2-OE2 3.45Å; D355-E359 PolarHBondContact O-N 3.45Å; E359-R361 PolarHBondContact O-N 3.08Å; E359-Q362 WeakPolarHBondContact O-CA 3.48Å; E359-Q362 WeakPolarHBondContact O-CB 3.48Å; E359-Q362 PolarHBondContact O-N 2.97Å; E359-E363 PolarHBondContact O-N 3.41Å
360R84.8Confident78Confident67 Ų6772.9 Ų72.925%0.25339%0.392SS..Hα-helixtrans-67-33.9-178.7-171171.2-70.9-152.51113.8L177 V356 V358 Q362 E363 L364L177-R360 WeakPolarHBondContact O-CD 3.47Å; V356-R360 WeakPolarHBondContact O-CB 3.43Å; V356-R360 PolarHBondContact O-N 3.22Å; V358-R360 PolarHBondContact O-N 2.89Å; R360-Q362 VanDerWaalsContact C-N 3.28Å; R360-Q362 PolarHBondContact O-N 2.83Å; R360-E363 PolarHBondContact O-N 2.82Å; R360-L364 HydrophobicContact CG-CD1 4.17Å; R360-L364 WeakPolarHBondContact O-CB 3.41Å; R360-L364 VanDerWaalsContact O-CG 3.3Å; R360-L364 WeakPolarHBondContact O-CG 3.37Å; R360-L364 PolarHBondContact O-N 3.14Å
361R83.6Confident75.4Confident131 Ų13177.4 Ų77.449%0.49443%0.425SS..Hα-helixtrans-64.7-35.1171.4-77.6-177-155.2114.4-16.8111.3R357 V358 E359 A365R357-R361 WeakPolarHBondContact O-CB 3.23Å; R357-R361 WeakPolarHBondContact O-CG 3.33Å; R357-R361 PolarHBondContact O-NH1 3.04Å; V358-R361 PolarHBondContact O-N 2.99Å; E359-R361 PolarHBondContact O-N 3.08Å; R361-A365 WeakPolarHBondContact O-CB 3.37Å; R361-A365 PolarHBondContact O-N 3.28Å; R361-A365 VanDerWaalsContact O-N 3.13Å
362Q84.1Confident73Confident131 Ų13184.7 Ų84.761%0.61246%0.458SS*.Hα-helixtrans-71.1-41.4177.1-170.2172.214.200111.9V358 E359 R360 A365 L366V358-Q362 PolarHBondContact O-N 3.02Å; V358-Q362 VanDerWaalsContact O-N 3.08Å; E359-Q362 WeakPolarHBondContact O-CA 3.48Å; E359-Q362 WeakPolarHBondContact O-CB 3.48Å; E359-Q362 PolarHBondContact O-N 2.97Å; R360-Q362 VanDerWaalsContact C-N 3.28Å; R360-Q362 PolarHBondContact O-N 2.83Å; Q362-A365 PolarHBondContact O-N 3Å; Q362-L366 WeakPolarHBondContact O-CG 3.18Å; Q362-L366 PolarHBondContact O-N 2.83Å
363E80.6Confident70.5Confident83 Ų8388.4 Ų88.439%0.38849%0.49SS..Hα-helixtrans-59.7-49.1173.2-68-177.6136.500111.7E359 R360 A365 L366 E367E359-E363 PolarHBondContact O-N 3.41Å; R360-E363 PolarHBondContact O-N 2.82Å; E363-A365 VanDerWaalsContact C-N 3.26Å; E363-A365 PolarHBondContact O-N 2.68Å; E363-L366 WeakPolarHBondContact O-CB 3.37Å; E363-L366 PolarHBondContact O-N 3.27Å; E363-E367 PolarHBondContact O-N 2.96Å; E363-E367 VanDerWaalsContact O-N 3.12Å
364L76.3Confident67.9Low50 Ų5094.8 Ų94.826%0.26252%0.524SS..Hα-helixtrans-64.1-29179.5-70.8169.9000113.3P179 R360 L366 D368P179-L364 HydrophobicContact CG-CD1 4.28Å; R360-L364 HydrophobicContact CG-CD1 4.17Å; R360-L364 WeakPolarHBondContact O-CB 3.41Å; R360-L364 VanDerWaalsContact O-CG 3.3Å; R360-L364 WeakPolarHBondContact O-CG 3.37Å; R360-L364 PolarHBondContact O-N 3.14Å; L364-L366 VanDerWaalsContact C-N 3.26Å; L364-L366 PolarHBondContact O-N 2.91Å; L364-D368 PolarHBondContact O-N 3.43Å
365A76.4Confident65.3Low75 Ų75101.8 Ų101.862%0.6255%0.55SS**Hα-helixtrans-77.7-6.9174.100000114R361 Q362 E363R361-A365 WeakPolarHBondContact O-CB 3.37Å; R361-A365 PolarHBondContact O-N 3.28Å; R361-A365 VanDerWaalsContact O-N 3.13Å; Q362-A365 PolarHBondContact O-N 3Å; E363-A365 VanDerWaalsContact C-N 3.26Å; E363-A365 PolarHBondContact O-N 2.68Å
366L72.9Confident62.4Low136 Ų136103.3 Ų103.371%0.71257%0.568SS**Hα-helixtrans-100.6-30.3172.9-66.1167000112Q362 E363 L364Q362-L366 WeakPolarHBondContact O-CG 3.18Å; Q362-L366 PolarHBondContact O-N 2.83Å; E363-L366 WeakPolarHBondContact O-CB 3.37Å; E363-L366 PolarHBondContact O-N 3.27Å; L364-L366 VanDerWaalsContact C-N 3.26Å; L364-L366 PolarHBondContact O-N 2.91Å
367E61.3Low59.7Low160 Ų160108.3 Ų108.375%0.74860%0.603SS**Hα-helixtrans-78.5-12.2176.5-74.9-79.2102.800114.1E363 P369E363-E367 PolarHBondContact O-N 2.96Å; E363-E367 VanDerWaalsContact O-N 3.12Å; E367-P369 WeakPolarHBondContact O-CD 3.4Å
368D46.9Very low57.4Low99 Ų99112.1 Ų112.153%0.52964%0.64SS.*SBendtrans-104.888.3178.8-143.570.1000109.7K180 L364K180-D368 IonicContact NZ-OD1 2.72Å; K180-D368 PolarHBondContact NZ-OD1 2.92Å; L364-D368 PolarHBondContact O-N 3.43Å
369P40.8Very low54.9Low96 Ų96116.1 Ų116.162%0.62366%0.658SS**  trans-68.9138.1-175.827.9-35.4000111.1E367 S371E367-P369 WeakPolarHBondContact O-CD 3.4Å; P369-S371 PolarHBondContact O-N 2.93Å
370P41Very low52.4Low131 Ų131123.3 Ų123.385%0.85169%0.688SS**  trans-64.7112.2176.726.4-33.8000110.4E372P370-E372 PolarHBondContact O-N 3.12Å
371S39.3Very low49.7Very low121 Ų121126.3 Ų126.385%0.84671%0.709SS**  trans-61.5103.9-176.9-66.10000112.9P369P369-S371 PolarHBondContact O-N 2.93Å
372E39.4Very low47.2Very low172 Ų172129 Ų12980%0.80473%0.725SS**  trans42.780.3160.8-59.5-16315100118.1P370 L374P370-E372 PolarHBondContact O-N 3.12Å; E372-L374 PolarHBondContact O-N 3.33Å
373A35.5Very low44.4Very low105 Ų105126.8 Ų126.887%0.86874%0.736SS**  trans-78.4108.914400000108.8
374L34.2Very low41.9Very low143 Ų143128.5 Ų128.575%0.74976%0.757SS**  trans-55.1148.8-170.7-77.2162.2000114.9E372E372-L374 PolarHBondContact O-N 3.33Å
375H35.7Very low39.5Very low183 Ų183130.6 Ų130.685%0.84778%0.777SS**  trans-50.1143.4-179.4-62.8-83.4000114.2
376S27.8Very low37.3Very low122 Ų122134.2 Ų134.285%0.85379%0.785SS**  trans-138.671162.7-76.10000110.5A378S376-A378 PolarHBondContact O-N 2.94Å
377S32.5Very low35.1Very low108 Ų108135.2 Ų135.276%0.75579%0.786SS**  trans-68.4122.7172.654.70000110.7L379S377-L379 PolarHBondContact O-N 2.9Å
378A38.6Very low34.1Very low106 Ų106132.4 Ų132.488%0.87678%0.781SS**  trans-68.3125.8-176.500000113.1S376S376-A378 PolarHBondContact O-N 2.94Å
379L35.8Very low33.2Very low170 Ų170137.2 Ų137.289%0.8979%0.792SS**  trans-132.5144.1164.8-91.1172000110.9S377S377-L379 PolarHBondContact O-N 2.9Å
380K33.1Very low32.6Very low200 Ų200140.7 Ų140.787%0.8780%0.8SS**  trans-84.4143.8170.7-64.1170.1176.3172.20109.2
381D26.9Very low31.9Very low130 Ų130141.6 Ų141.670%0.69579%0.792SS**  -173.8-172.884.5-161.716.6000110.7
382K31.3Very low31.1Very low189 Ų189144.6 Ų144.682%0.82279%0.791SS**  trans-65.9150.2-172.5-55134.6-175.5169.40114.7
383G26.3Very low30.6Very low83 Ų83143.7 Ų143.786%0.85679%0.791SS**  trans-155.7142.2160.300000110.5
384S27.8Very low30.3Very low119 Ų119143.1 Ų143.183%0.83279%0.786SS**  trans-120.8167.2-178.1-172.60000111.4
385S25Very low30.3Very low95 Ų95143.6 Ų143.666%0.66479%0.789SS**  trans94.8113.4152.4-108.30000121.4
386L30.2Very low29.9Very low150 Ų150141.2 Ų141.279%0.78578%0.783SS**  trans70.5115.4130.6-64.5170000123.2
387E26.6Very low30.1Very low157 Ų157142.5 Ų142.573%0.73479%0.785SS**  trans62.4167.6131.9-79.6-93.884.700120.5
388P41.9Very low29.9Very low101 Ų101140.5 Ų140.566%0.65678%0.781SS**  cis-130.5172.3-16.325.1-2.2000116.2
389R26.3Very low29.6Very low200 Ų200140.3 Ų140.376%0.75578%0.779SS**  trans15.9145.5141.8-47170.576.9179.85.2119.1
390Q29.2Very low29.2Very low170 Ų170138.4 Ų138.479%0.79478%0.78SS**  -163140.158.2-71.717413.900110.2
391H25.4Very low29Very low149 Ų149131.9 Ų131.969%0.6977%0.77SS**  47.3136.895.7-85.3-101.7000116.3
392F24Very low29.2Very low184 Ų184133.2 Ų133.281%0.80778%0.776SS**  cis-150.1167.829.6-128.4-77.8000114.5
393N29Very low29.1Very low154 Ų154130.6 Ų130.682%0.82477%0.771SS**  trans-101.4160.7177.3-60.5-16.9000114.3
394A29.6Very low29.3Very low92 Ų92132.7 Ų132.776%0.7677%0.768SS**  trans174.9152.2142.800000110.3
395L33.3Very low29.4Very low153 Ų153130.9 Ų130.980%0.80176%0.755SS**  cis-160.7133-19.9-91.5164.4000102.8
396D27.8Very low29.7Very low134 Ų134134.9 Ų134.972%0.71776%0.763SS**  64.8125.854.3-16329.8000116.2
397V32.3Very low29.6Very low149 Ų149133.1 Ų133.190%0.90376%0.763SS**  trans-140104.2167.9174.20000106.4
398G28.2Very low30.4Very low65 Ų65131 Ų13167%0.6776%0.763SS**  trans-81.7178.6-161.400000117.3
399A31.2Very low29.7Very low102 Ų102131.6 Ų131.684%0.84377%0.77SS**  trans-108.7178.9-171.600000114.3
400S28.5Very low30.1Very low130 Ų130126.9 Ų126.991%0.90977%0.773SS**  trans-162.2134.8164.2-73.50000109
401G27.7Very low30.1Very low63 Ų63124.4 Ų124.465%0.64978%0.775SS**  cis-156.9149.2-10.300000108.3
402L31.7Very low30.2Very low159 Ų159122.2 Ų122.283%0.83278%0.776SS**  58.1121.593.4-65175.9000113.5
403N28.2Very low30.7Very low133 Ų133124.3 Ų124.371%0.71178%0.779SS**  cis-135.1-159.610.6-57.5-88.6000109.6
404T31.2Very low30.9Very low128 Ų128122.5 Ų122.579%0.78578%0.778SS**  cis-166156.27.110.70000105.8
405S30.5Very low31.4Very low81 Ų81122.1 Ų122.157%0.56677%0.77SS**  cis-170164.3-18.447.80000109.8
406H30.6Very low31.5Very low178 Ų178122.9 Ų122.982%0.82477%0.769SS**  trans65.5102165.2-52.3-60.6000121
407S29.2Very low32Very low113 Ų113125 Ų12579%0.7977%0.772SS**  trans-78.8-177142.6-30.20000109.6
408P42.3Very low32.1Very low113 Ų113123.6 Ų123.673%0.73477%0.768SS**  cis-144.4166.620.943-22.6000119.9
409S28.2Very low32.9Very low114 Ų114124.7 Ų124.780%0.79777%0.766SS**  trans39.9109.1140.7-54.10000123.6
410A34.7Very low33.2Very low101 Ų101128.9 Ų128.984%0.83577%0.767SS**  58.7106.812500000122
411S29.2Very low34.1Very low117 Ų117128.9 Ų128.982%0.81876%0.762SS**  trans-161.2146.3134.460.50000114.9
412S28Very low34.3Very low103 Ų103130 Ų13072%0.7277%0.766SS**  trans39.3113.2144.9-63.10000125.2
413R32.7Very low34.4Very low229 Ų229130.6 Ų130.686%0.86477%0.766SS**  65.8142.6124.7-55.7177.483.6-177.27122.2
414S33.7Very low34.7Very low115 Ų115128.8 Ų128.880%0.80476%0.764SS**  trans78.3159.7146.8880000117.5
415S40.2Very low34.8Very low84 Ų84131.5 Ų131.559%0.58777%0.767SS**  cis-172.1-164.7-26.756.30000109.2
416H36.5Very low35.2Very low170 Ų170133.5 Ų133.579%0.78778%0.779SS**  trans118.5145.4157.7-63.4-21.2000115.9
417K38.1Very low35.2Very low179 Ų179131 Ų13178%0.77878%0.776SS**  cis-174.9137.3-14.5163179.3174.3-175.40111.5
418S34.2Very low35.1Very low118 Ų118131.1 Ų131.183%0.82578%0.777SS**  trans-154.9165.1137.365.40000109
419S45Very low34.6Very low89 Ų89132 Ų13262%0.62278%0.781SS**  trans-153.6158.2-164.5-48.40000111.5
420H36.4Very low35.5Very low189 Ų189131.8 Ų131.888%0.87578%0.776SS**  trans-169.3176131.1-100.6-65.3000111.5
421T47.3Very low35.1Very low131 Ų131134 Ų13480%0.80478%0.779SS**  trans-117.6179.8-158.150.20000112.1
422A31.8Very low35Very low87 Ų87136.8 Ų136.872%0.71978%0.777SS**  cis-160.8171.719.800000115.3
423M35.5Very low35Very low170 Ų170138.4 Ų138.484%0.83778%0.777SS**  trans-14.6158.6151.5-41.9-59.5-85.400119.2
424S33.3Very low34.8Very low95 Ų95135.8 Ų135.866%0.66478%0.777SS**  cis-175.5144.3-16.6-87.60000110.7
425E32.5Very low34.6Very low185 Ų185134.7 Ų134.786%0.86478%0.775SS**  trans56.4153.7157.6-91.6-179.6172.200120.3
426P40.8Very low33.9Very low124 Ų124139.5 Ų139.581%0.80579%0.788SS**  cis-145.4-165.248.343.8-22.2000117.8
427T28.6Very low33.4Very low125 Ų125135.4 Ų135.477%0.76778%0.783SS**  trans-66.5152.6-166.4-35.30000118.4
428S28Very low32.8Very low115 Ų115131.9 Ų131.980%0.80478%0.781SS**  trans135.1152.2134.367.80000116.8
429T31.8Very low32.6Very low133 Ų133132.3 Ų132.382%0.81678%0.779SS**  trans-124.9-173.1-175.562.90000108.7
430P46.4Very low32.2Very low109 Ų109134.4 Ų134.471%0.70879%0.79SS**  cis-138.6166.6-2.741.6-24.4000116.7
431T26.3Very low31.6Very low146 Ų146129.1 Ų129.190%0.89678%0.78SS**  trans179.6166.5144.415.70000109.6
432K28.5Very low30.9Very low176 Ų176129.9 Ų129.977%0.76578%0.778SS**  -175.9108.6-63.6174.5-172.1171.4-174.20106.3
433L27.2Very low31.1Very low137 Ų137132 Ų13272%0.71778%0.784SS**  trans55.5124.5156.8-58.5174.3000121.5
434M29.5Very low30.6Very low175 Ų175134.4 Ų134.486%0.86278%0.784SS**  19.6128.4129.4-49.9173.780.900119.9
435A27.5Very low30.3Very low92 Ų92135.1 Ų135.176%0.7679%0.789SS**  170.3147.1106.300000114.8
436E26Very low30.1Very low185 Ų185130.5 Ų130.586%0.86478%0.782SS**  trans31.9128.4144.1-64.4-169.299.900125.4
437A26.5Very low29.2Very low83 Ų83131.8 Ų131.869%0.68679%0.788SS**  62.9128.3117.900000124.7
438S25.6Very low28.9Very low106 Ų106133.5 Ų133.574%0.74179%0.792SS**  trans85.6121.5133.2-63.90000123.6
439T30.6Very low29.5Very low126 Ų126133.1 Ų133.177%0.77379%0.787SS**  trans73.4150.7153.112.20000118.4
440P35.4Very low29.1Very low133 Ų133135.4 Ų135.486%0.86479%0.788SS**  -130.3-174.675.939.2-26.2000114.8
441A24.9Very low28.1Very low79 Ų79137.6 Ų137.665%0.65379%0.789SS**  trans-150.3167.8-166.600000115.4
442L31.2Very low28.2Very low146 Ų146137.1 Ų137.176%0.76478%0.78SS**  trans71.7152.2158-79.6164000117R444L442-R444 HydrophobicContact CD2-CB 4.11Å
443P36.3Very low28.8Very low132 Ų132133.7 Ų133.786%0.85778%0.776SS**  -126.5-17159.336.5-19.6000116
444R24.9Very low28.8Very low220 Ų220133.9 Ų133.983%0.8378%0.783SS**  trans-152.1157.9-168.7-167.2179.1-175.2169.32.9112.3L442L442-R444 HydrophobicContact CD2-CB 4.11Å
445S27.5Very low29.5Very low110 Ų110131.6 Ų131.677%0.76978%0.78SS**  trans80152.5166.3-53.40000117.9
446A27.8Very low29.4Very low88 Ų88130.4 Ų130.473%0.72778%0.778SS**  cis-173.6141-25.200000111
447T22.5Very low29.5Very low152 Ų152129.8 Ų129.893%0.93378%0.779SS**  trans-161.4164.7169.54.20000115
448L22.6Very low29.7Very low161 Ų161130 Ų13084%0.84378%0.776SS**  trans-140.8177.2175-92.3170000107.4
449P40.6Very low30Very low106 Ų106133.2 Ų133.269%0.68878%0.779SS**  cis-133.2172.9-19.139-22.9000115
450Q23.9Very low29.9Very low182 Ų182131.8 Ų131.885%0.8578%0.78SS**  trans180124.4142.1-100.5175.3-3600108.6
451E24Very low29.6Very low154 Ų154129.4 Ų129.472%0.7277%0.772SS**  61.2137.579.2-57.5-65.973.800113.9
452L29.6Very low29.7Very low136 Ų136132 Ų13271%0.71278%0.78SS**  cis-170.6-165.4-0.5-110.3175.6000107.2
453P40.1Very low29.8Very low105 Ų105132.5 Ų132.568%0.68278%0.78SS**  cis-134.2163-25.337.4-20.2000116.6
454V26.6Very low30Very low141 Ų141132 Ų13286%0.85578%0.777SS**  trans-151.9137.1148.5-169.40000110.1
455P44.5Very low30.2Very low126 Ų126125.5 Ų125.582%0.81877%0.77SS**  trans-92.9166.4173.937.1-35.2000113.3
456G26.7Very low31.1Very low68 Ų68126.1 Ų126.170%0.70177%0.771SS**  cis144.1133.1-7.900000113.2
457L28.3Very low31.2Very low171 Ų171129.7 Ų129.790%0.89578%0.777SS**  trans168.8133.4141.9-92.7163.5000114.8
458S30.4Very low32.1Very low88 Ų88128.3 Ų128.362%0.61577%0.771SS**  trans5.4155149-61.90000123.4
459Q32.1Very low32.2Very low173 Ų173125.8 Ų125.881%0.80877%0.767SS**  cis-167.8147.6-1.6-116.1171.671.700112.3
460A28.6Very low33Very low96 Ų96126.3 Ų126.379%0.79377%0.77SS**  trans47.8156.8144.900000122
461A28.9Very low33.1Very low84 Ų84123.9 Ų123.969%0.69477%0.773SS**  cis-156.3157.78.100000114.1
462T27.2Very low33.2Very low133 Ų133121.6 Ų121.682%0.81677%0.774SS**  trans62.3125.8147-46.10000122.2
463M32.4Very low33Very low156 Ų156120.1 Ų120.177%0.76877%0.774SS**  trans-107.8159.8162.9-74.6-71.5-63.500110.6
464P41.2Very low32.2Very low123 Ų123121.8 Ų121.880%0.79978%0.778SS**  -143.3178.2100.336.4-20000115.2
465A28.2Very low32.2Very low83 Ų83121.8 Ų121.869%0.68677%0.772SS**  trans-114.2-169.9178.600000110.2
466P47.1Very low31.4Very low122 Ų122121.1 Ų121.179%0.79277%0.766SS**  cis-137.1-166.3-2.440.2-18.7000116.1
467L30.4Very low31.5Very low163 Ų163125 Ų12585%0.85377%0.766SS**  trans-43160169.3-74.6166.1000116.3
468P40.4Very low31.5Very low123 Ų123124.3 Ų124.380%0.79976%0.758SS**  -148-154.751.843.9-21.8000118.1
469S25.8Very low31.4Very low108 Ų108127.6 Ų127.676%0.75577%0.768SS**  trans-109.4-160.9-163.755.20000113.6
470P57.5Low31.2Very low118 Ų118126.3 Ų126.377%0.76677%0.766SS**  -125.2168.9-57.333.1-17.4000113.6
471S25.7Very low31.9Very low130 Ų130127.3 Ų127.391%0.90976%0.764SS**  trans-164.6179.9158.5480000112.2
472S25.8Very low31.8Very low106 Ų106131 Ų13174%0.74177%0.767SS**  trans-139.3169.2-152.859.10000116.7
473C24.5Very low31.9Very low105 Ų105131 Ų13171%0.70977%0.767SS**  trans80.9124161.6-55.20000119.7
474D23.9Very low31.9Very low141 Ų141129.4 Ų129.475%0.75477%0.765SS**  trans30.8142.6131-50.4-69.9000120.2
475L27.9Very low31.3Very low140 Ų140130.2 Ų130.273%0.73376%0.762SS**  176.4144.259.5-169.577.7000111.1
476T27Very low31.4Very low112 Ų112134.4 Ų134.469%0.68777%0.768SS**  trans59.3163.1156440000120.4
477Q28.2Very low30.5Very low150 Ų150134.4 Ų134.470%0.70177%0.771SS**  cis-161.6161.8-38.3-146.7-173.3102.500109.3
478Q28.9Very low30.7Very low156 Ų156133 Ų13373%0.72977%0.769SS**  trans80.2148.9152.1-85.1179.326.800124
479L28.6Very low30.6Very low158 Ų158133 Ų13383%0.82777%0.769SS**  trans79.1123.7163.5-9670.5000122
480L26.6Very low31.1Very low146 Ų146132.1 Ų132.176%0.76477%0.768SS**  trans-108.7166.4165.4-136.783.1000107.5
481P42.8Very low30.4Very low117 Ų117131.9 Ų131.976%0.7677%0.767SS**  -150.5144.168.936.6-15.4000119
482Q28Very low31Very low162 Ų162134.3 Ų134.376%0.75777%0.766SS**  trans40.7126.7143.2-56.2-167.725.600123.1
483T30.1Very low32.1Very low132 Ų132133.4 Ų133.481%0.8177%0.765SS**  -156.7125.5107.136.60000112.1
484V30.7Very low33.1Very low122 Ų122135.7 Ų135.774%0.73977%0.765SS**  34.5126.6128.8-177.10000117.9
485L29.8Very low33.9Very low140 Ų140137 Ų13773%0.73376%0.764SS**  cis-159.215424.8-136.6158.5000112.9
486Q30.3Very low35.2Very low171 Ų171134.2 Ų134.280%0.79976%0.756SS**  trans81.6144.2147.2-123.2166.4100123.5
487S28Very low36.5Very low123 Ų123131.4 Ų131.486%0.8675%0.745SS**  trans82142.5170.675.60000119.3
488T33.2Very low37.7Very low132 Ų132130 Ų13081%0.8174%0.738SS**  trans-105.4152.5-173.4-13.60000110.8
489P39.7Very low39.6Very low125 Ų125129.6 Ų129.681%0.81273%0.734SS**  -144.11688538.8-23.4000115.3
490A35.5Very low41.5Very low89 Ų89125.5 Ų125.574%0.73672%0.719SS**  trans-93.7147.7162.900000109.4
491P42.4Very low43.7Very low113 Ų113123 Ų12373%0.73470%0.704SS**  -149131.487.635.8-17.5000115.7
492M39.5Very low45.3Very low181 Ų181124.2 Ų124.289%0.89270%0.698SS**  trans-135.6-8164.6-80.2-171171.500114.9Q494M492-Q494 VanDerWaalsContact C-N 3.27Å; M492-Q494 PolarHBondContact O-N 3.22Å
493A48.8Very low47.7Very low87 Ų87119.8 Ų119.872%0.71968%0.677SS**Hα-helixtrans-71.2-15.3-17600000114.9S496A493-S496 PolarHBondContact O-OG 3.34Å
494Q45.5Very low50.3Low153 Ų153117 Ų11772%0.71566%0.66SS**Hα-helixtrans-81.8-26.8-169.1-164.9167.60.500114M492M492-Q494 VanDerWaalsContact C-N 3.27Å; M492-Q494 PolarHBondContact O-N 3.22Å
495F40.8Very low53.1Low168 Ų168115.5 Ų115.574%0.73765%0.647SS**Hα-helixtrans-78.3-30.3-178.2-92.8-85000114A497 F499F495-A497 PolarHBondContact O-N 3.34Å; F495-F499 PolarHBondContact O-N 3.4Å
496S54.4Low55.9Low81 Ų81113.2 Ų113.257%0.56663%0.631SS**Hα-helixtrans-68.4-34.5-179.956.90000112.8A493 F499 S500A493-S496 PolarHBondContact O-OG 3.34Å; S496-F499 PolarHBondContact O-N 2.87Å; S496-S500 WeakPolarHBondContact O-CB 3.42Å; S496-S500 PolarHBondContact O-N 3.32Å
497A55.3Low58.7Low53 Ų53108.5 Ų108.544%0.43861%0.612SS.*Hα-helixtrans-63.7-41.3179.500000112.7F495 S500 M501F495-A497 PolarHBondContact O-N 3.34Å; A497-S500 PolarHBondContact O-N 2.84Å; A497-M501 PolarHBondContact O-N 2.96Å; A497-M501 VanDerWaalsContact O-N 3.12Å
498Q53.7Low61.5Low122 Ų122108.5 Ų108.557%0.5760%0.598SS**Hα-helixtrans-67.6-41.9178.4-71.3-174-20.900112.1S500 M501 F502Q498-S500 PolarHBondContact O-N 3.42Å; Q498-M501 PolarHBondContact O-N 2.92Å; Q498-F502 PolarHBondContact O-N 2.95Å
499F67.2Low64.1Low147 Ų147107.8 Ų107.865%0.64559%0.589SS**Hα-helixtrans-64.1-40.5176.8-168.8-96.8000112.1F495 S496 M501 F502 Q503F495-F499 PolarHBondContact O-N 3.4Å; S496-F499 PolarHBondContact O-N 2.87Å; F499-M501 PolarHBondContact O-N 2.88Å; F499-F502 PolarHBondContact O-N 2.97Å; F499-Q503 PolarHBondContact O-N 2.93Å
500S69Low66.6Low72 Ų72105.9 Ų105.950%0.50357%0.569SS.*Hα-helixtrans-61.3-42.2175.5-171.50000112.8S496 A497 Q498 Q503 T504S496-S500 WeakPolarHBondContact O-CB 3.42Å; S496-S500 PolarHBondContact O-N 3.32Å; A497-S500 PolarHBondContact O-N 2.84Å; Q498-S500 PolarHBondContact O-N 3.42Å; S500-Q503 PolarHBondContact O-N 2.94Å; S500-T504 WeakPolarHBondContact O-CB 3.35Å; S500-T504 PolarHBondContact O-N 2.89Å; S500-T504 PolarHBondContact O-OG1 3.33Å
501M72.3Confident69.4Low92 Ų92106 Ų10645%0.45355%0.554SS.*Hα-helixtrans-66.1-41.3175.2-72.2-169.1-66.100112.4A497 Q498 F499 Q503 T504 I505A497-M501 PolarHBondContact O-N 2.96Å; A497-M501 VanDerWaalsContact O-N 3.12Å; Q498-M501 PolarHBondContact O-N 2.92Å; F499-M501 PolarHBondContact O-N 2.88Å; M501-Q503 PolarHBondContact O-N 2.96Å; M501-T504 PolarHBondContact O-N 2.99Å; M501-I505 VanDerWaalsContact O-CG1 3.31Å; M501-I505 WeakPolarHBondContact O-CG1 3.47Å; M501-I505 PolarHBondContact O-N 2.94Å
502F77.4Confident71.6Confident143 Ų143109.4 Ų109.463%0.62755%0.552SS**Hα-helixtrans-62.5-42.7176.7-173.7-97.7000112.1Q498 F499 I505 K506Q498-F502 PolarHBondContact O-N 2.95Å; F499-F502 PolarHBondContact O-N 2.97Å; F502-I505 PolarHBondContact O-N 3.48Å; F502-K506 PolarHBondContact O-N 2.83Å
503Q78.3Confident74.1Confident70 Ų70103.9 Ų103.933%0.32753%0.529SS..Hα-helixtrans-62-43.8174.1-172.862.15200111.5F499 S500 M501 I505 K506 D507F499-Q503 PolarHBondContact O-N 2.93Å; S500-Q503 PolarHBondContact O-N 2.94Å; M501-Q503 PolarHBondContact O-N 2.96Å; Q503-I505 VanDerWaalsContact C-N 3.32Å; Q503-I505 PolarHBondContact O-N 3.4Å; Q503-K506 WeakPolarHBondContact O-CB 3.27Å; Q503-K506 PolarHBondContact O-N 2.93Å; Q503-D507 PolarHBondContact NE2-OD1 3.38Å; Q503-D507 WeakPolarHBondContact O-CB 3.41Å; Q503-D507 PolarHBondContact O-N 3.2Å
504T84.4Confident76.2Confident73 Ų73105.8 Ų105.845%0.44852%0.517SS..Hα-helixtrans-61.1-39.5177.3-54.80000112.4S500 M501 D507 Q508S500-T504 WeakPolarHBondContact O-CB 3.35Å; S500-T504 PolarHBondContact O-N 2.89Å; S500-T504 PolarHBondContact O-OG1 3.33Å; M501-T504 PolarHBondContact O-N 2.99Å; T504-D507 PolarHBondContact O-N 2.87Å; T504-Q508 WeakPolarHBondContact O-CG 3.37Å; T504-Q508 PolarHBondContact O-N 2.84Å
505I89.3Confident78.5Confident90 Ų90102.7 Ų102.746%0.46251%0.505SS..Hα-helixtrans-67.5-43.1176.5-69.2164.1000110.7M501 F502 Q503 Q508 L509M501-I505 VanDerWaalsContact O-CG1 3.31Å; M501-I505 WeakPolarHBondContact O-CG1 3.47Å; M501-I505 PolarHBondContact O-N 2.94Å; F502-I505 PolarHBondContact O-N 3.48Å; Q503-I505 VanDerWaalsContact C-N 3.32Å; Q503-I505 PolarHBondContact O-N 3.4Å; I505-Q508 PolarHBondContact O-N 2.74Å; I505-L509 PolarHBondContact O-N 3.27Å
506K87.9Confident80.9Confident93 Ų9399.6 Ų99.640%0.40450%0.496SS..Hα-helixtrans-58.6-48.1173.8178.1-174.6165.7-1760111.3F502 Q503 Q508 L509 E510F502-K506 PolarHBondContact O-N 2.83Å; Q503-K506 WeakPolarHBondContact O-CB 3.27Å; Q503-K506 PolarHBondContact O-N 2.93Å; K506-Q508 VanDerWaalsContact C-N 3.33Å; K506-Q508 PolarHBondContact O-N 3.49Å; K506-L509 PolarHBondContact O-N 3.14Å; K506-L509 VanDerWaalsContact O-N 3.1Å; K506-E510 WeakPolarHBondContact CE-OE1 3.2Å; K506-E510 IonicContact NZ-OE1 2.67Å; K506-E510 PolarHBondContact O-N 3.02Å
507D90.8Very high82.7Confident72 Ų72101 Ų10139%0.38549%0.493SS..Hα-helixtrans-64.5-37.8-178.4-64.6-16.7000111.6Q503 T504 Q511Q503-D507 PolarHBondContact NE2-OD1 3.38Å; Q503-D507 WeakPolarHBondContact O-CB 3.41Å; Q503-D507 PolarHBondContact O-N 3.2Å; T504-D507 PolarHBondContact O-N 2.87Å; D507-Q511 VanDerWaalsContact O-CB 3.27Å; D507-Q511 WeakPolarHBondContact O-CB 3.31Å; D507-Q511 PolarHBondContact O-N 3.27Å
508Q86.7Confident84.4Confident123 Ų123100.7 Ų100.758%0.57549%0.49SS*.Hα-helixtrans-62.9-42.5170.5-78.8-163.517.600112.5T504 I505 K506 Q511 R512T504-Q508 WeakPolarHBondContact O-CG 3.37Å; T504-Q508 PolarHBondContact O-N 2.84Å; I505-Q508 PolarHBondContact O-N 2.74Å; K506-Q508 VanDerWaalsContact C-N 3.33Å; K506-Q508 PolarHBondContact O-N 3.49Å; Q508-Q511 PolarHBondContact O-N 3.07Å; Q508-R512 WeakPolarHBondContact O-CB 3.4Å; Q508-R512 VanDerWaalsContact O-CG 3.28Å; Q508-R512 WeakPolarHBondContact O-CG 3.28Å; Q508-R512 PolarHBondContact O-N 3.47Å
509L87.5Confident86.2Confident117 Ų11799 Ų9961%0.61349%0.485SS*.Hα-helixtrans-66.4-43.3179.6-173.763.4000111.4I505 K506 Q511 R512 T513I505-L509 PolarHBondContact O-N 3.27Å; K506-L509 PolarHBondContact O-N 3.14Å; K506-L509 VanDerWaalsContact O-N 3.1Å; L509-Q511 VanDerWaalsContact C-N 3.33Å; L509-Q511 PolarHBondContact O-N 3.07Å; L509-R512 PolarHBondContact O-N 3.38Å; L509-T513 WeakPolarHBondContact O-CB 3.39Å; L509-T513 PolarHBondContact O-N 2.96Å; L509-T513 PolarHBondContact O-OG1 2.81Å; L509-T513 VanDerWaalsContact O-OG1 3.08Å
510E92.6Very high87.5Confident84 Ų8495.5 Ų95.539%0.39347%0.473SS..Hα-helixtrans-63.8-37173.7-71.6-173.7-169.300112.2K506 R514K506-E510 WeakPolarHBondContact CE-OE1 3.2Å; K506-E510 IonicContact NZ-OE1 2.67Å; K506-E510 PolarHBondContact O-N 3.02Å; E510-R514 WeakPolarHBondContact O-CB 3.46Å; E510-R514 WeakPolarHBondContact O-CG 3.39Å; E510-R514 PolarHBondContact O-N 3.35Å; E510-R514 PolarHBondContact O-NE 3.22Å
511Q93Very high88.7Confident92 Ų9299.7 Ų99.743%0.4348%0.478SS..Hα-helixtrans-66.9-43.8174.3-176.668.415.500111.8D507 Q508 L509 R514 I515D507-Q511 VanDerWaalsContact O-CB 3.27Å; D507-Q511 WeakPolarHBondContact O-CB 3.31Å; D507-Q511 PolarHBondContact O-N 3.27Å; Q508-Q511 PolarHBondContact O-N 3.07Å; L509-Q511 VanDerWaalsContact C-N 3.33Å; L509-Q511 PolarHBondContact O-N 3.07Å; Q511-R514 PolarHBondContact O-N 3.33Å; Q511-R514 VanDerWaalsContact OE1-CZ 3.31Å; Q511-I515 HydrophobicContact CG-CD1 4.14Å; Q511-I515 WeakPolarHBondContact O-CG1 3.31Å; Q511-I515 PolarHBondContact O-N 3.23Å
512R88.9Confident89.9Confident185 Ų185102.1 Ų102.170%0.69848%0.482SS*.Hα-helixtrans-59.6-46.4174.7-74.8-78.1-173.81271.5111.2Q508 L509 R514 I515 L516Q508-R512 WeakPolarHBondContact O-CB 3.4Å; Q508-R512 VanDerWaalsContact O-CG 3.28Å; Q508-R512 WeakPolarHBondContact O-CG 3.28Å; Q508-R512 PolarHBondContact O-N 3.47Å; L509-R512 PolarHBondContact O-N 3.38Å; R512-R514 PolarHBondContact O-N 2.92Å; R512-I515 PolarHBondContact O-N 3.19Å; R512-L516 PolarHBondContact O-N 3.03Å
513T91.5Very high90.4Very high65 Ų65100.7 Ų100.740%0.39948%0.477SS..Hα-helixtrans-62.1-42.5176.8-63.10000112L509 I515 L516 Q517L509-T513 WeakPolarHBondContact O-CB 3.39Å; L509-T513 PolarHBondContact O-N 2.96Å; L509-T513 PolarHBondContact O-OG1 2.81Å; L509-T513 VanDerWaalsContact O-OG1 3.08Å; T513-I515 PolarHBondContact O-N 2.78Å; T513-L516 PolarHBondContact O-N 3.39Å; T513-Q517 HydrophobicContact CG2-CG 4.49Å; T513-Q517 WeakPolarHBondContact O-CB 3.34Å; T513-Q517 WeakPolarHBondContact O-CG 3.42Å; T513-Q517 PolarHBondContact O-N 2.72Å
514R94.8Very high91Very high126 Ų126102.9 Ų102.948%0.47549%0.487SS..Hα-helixtrans-63.6-38.2175.6-79.4-179.3-81.2121.3-0.9113E510 Q511 R512 A518E510-R514 WeakPolarHBondContact O-CB 3.46Å; E510-R514 WeakPolarHBondContact O-CG 3.39Å; E510-R514 PolarHBondContact O-N 3.35Å; E510-R514 PolarHBondContact O-NE 3.22Å; Q511-R514 PolarHBondContact O-N 3.33Å; Q511-R514 VanDerWaalsContact OE1-CZ 3.31Å; R512-R514 PolarHBondContact O-N 2.92Å; R514-A518 PolarHBondContact O-N 2.9Å; R514-A518 VanDerWaalsContact O-N 3.09Å
515I93.8Very high91.5Very high88 Ų88104.5 Ų104.545%0.45149%0.49SS..Hα-helixtrans-66.4-44173.8-68164.3000110.9Q511 R512 T513 A518 N519Q511-I515 HydrophobicContact CG-CD1 4.14Å; Q511-I515 WeakPolarHBondContact O-CG1 3.31Å; Q511-I515 PolarHBondContact O-N 3.23Å; R512-I515 PolarHBondContact O-N 3.19Å; T513-I515 PolarHBondContact O-N 2.78Å; I515-A518 WeakPolarHBondContact O-CB 3.39Å; I515-A518 PolarHBondContact O-N 3.2Å; I515-A518 VanDerWaalsContact O-N 3.13Å; I515-N519 PolarHBondContact O-N 3.23Å
516L90.1Very high91.6Very high104 Ų104103.1 Ų103.155%0.54548%0.481SS..Hα-helixtrans-63.4-43.4178.4-173.861.5000111.8R512 T513 A518 N519 I520R512-L516 PolarHBondContact O-N 3.03Å; T513-L516 PolarHBondContact O-N 3.39Å; L516-A518 PolarHBondContact O-N 2.82Å; L516-N519 PolarHBondContact O-N 3.44Å; L516-I520 HydrophobicContact CD1-CD1 4.38Å; L516-I520 HydrophobicContact CG-CD1 4Å; L516-I520 WeakPolarHBondContact O-CG1 3.5Å; L516-I520 PolarHBondContact O-N 2.89Å
517Q92.3Very high91.8Very high109 Ų109104.1 Ų104.151%0.50949%0.49SS..Hα-helixtrans-67.1-20.1173.7-72.9179.9-11.900114T513 R521T513-Q517 HydrophobicContact CG2-CG 4.49Å; T513-Q517 WeakPolarHBondContact O-CB 3.34Å; T513-Q517 WeakPolarHBondContact O-CG 3.42Å; T513-Q517 PolarHBondContact O-N 2.72Å; Q517-R521 WeakPolarHBondContact O-CG 3.39Å; Q517-R521 PolarHBondContact O-NE 2.89Å
518A91.8Very high91.9Very high47 Ų47105.7 Ų105.739%0.38850%0.495SS..Hα-helixtrans-77.5-47.5169.700000110.8R514 I515 L516 I520 R521 W522R514-A518 PolarHBondContact O-N 2.9Å; R514-A518 VanDerWaalsContact O-N 3.09Å; I515-A518 WeakPolarHBondContact O-CB 3.39Å; I515-A518 PolarHBondContact O-N 3.2Å; I515-A518 VanDerWaalsContact O-N 3.13Å; L516-A518 PolarHBondContact O-N 2.82Å; A518-I520 PolarHBondContact O-N 3.36Å; A518-R521 PolarHBondContact O-N 3.34Å; A518-W522 PolarHBondContact O-N 3.13Å
519N91Very high92.2Very high86 Ų86103.1 Ų103.146%0.4648%0.482SS..Hα-helixtrans-59-46176.3-90.1-29.1000112.7I515 L516 R521 W522 Q523I515-N519 PolarHBondContact O-N 3.23Å; L516-N519 PolarHBondContact O-N 3.44Å; N519-R521 VanDerWaalsContact C-N 3.32Å; N519-R521 PolarHBondContact O-N 3.47Å; N519-W522 PolarHBondContact O-N 3.31Å; N519-Q523 WeakPolarHBondContact O-CB 3.35Å; N519-Q523 WeakPolarHBondContact O-CG 3.41Å; N519-Q523 PolarHBondContact O-N 3.5Å
520I95.1Very high92.4Very high74 Ų74101.7 Ų101.738%0.37947%0.474SS..Hα-helixtrans-59.4-43.3179-69.2165.4000111.1L516 A518 Q523 Q524L516-I520 HydrophobicContact CD1-CD1 4.38Å; L516-I520 HydrophobicContact CG-CD1 4Å; L516-I520 WeakPolarHBondContact O-CG1 3.5Å; L516-I520 PolarHBondContact O-N 2.89Å; A518-I520 PolarHBondContact O-N 3.36Å; I520-Q523 PolarHBondContact O-N 2.92Å; I520-Q524 VanDerWaalsContact O-CG 3.28Å; I520-Q524 WeakPolarHBondContact O-CG 3.37Å; I520-Q524 PolarHBondContact O-N 2.89Å
521R94.3Very high92.2Very high161 Ų161104.3 Ų104.361%0.60849%0.487SS*.Hα-helixtrans-68.2-39177.5-76.4-177.6-68.8159.3-0.6112.4Q517 A518 N519 Q524 E525Q517-R521 WeakPolarHBondContact O-CG 3.39Å; Q517-R521 PolarHBondContact O-NE 2.89Å; A518-R521 PolarHBondContact O-N 3.34Å; N519-R521 VanDerWaalsContact C-N 3.32Å; N519-R521 PolarHBondContact O-N 3.47Å; R521-Q524 PolarHBondContact O-N 3.17Å; R521-E525 PolarHBondContact O-N 2.86Å
522W96.3Very high92.1Very high143 Ų143104.7 Ų104.754%0.54249%0.488SS..Hα-helixtrans-64.9-41.3175.4-175.980.1000112A518 N519 Q524 E525 E526A518-W522 PolarHBondContact O-N 3.13Å; N519-W522 PolarHBondContact O-N 3.31Å; W522-Q524 VanDerWaalsContact C-N 3.34Å; W522-Q524 PolarHBondContact O-N 2.77Å; W522-E525 PolarHBondContact O-N 2.89Å; W522-E526 HydrophobicContact CD2-CG 4.12Å; W522-E526 HydrophobicContact CE3-CG 4.3Å; W522-E526 HydrophobicContact CH2-CG 3.76Å; W522-E526 HydrophobicContact CZ2-CG 3.54Å; W522-E526 HydrophobicContact CZ3-CG 4.13Å; W522-E526 PolarHBondContact O-N 3.08Å
523Q89.4Confident91.9Very high112 Ų112102 Ų10252%0.52348%0.484SS..Hα-helixtrans-62.9-38.8173.4-72.8175.4-42.200112.2N519 I520 L527N519-Q523 WeakPolarHBondContact O-CB 3.35Å; N519-Q523 WeakPolarHBondContact O-CG 3.41Å; N519-Q523 PolarHBondContact O-N 3.5Å; I520-Q523 PolarHBondContact O-N 2.92Å; Q523-L527 WeakPolarHBondContact O-CB 3.25Å; Q523-L527 VanDerWaalsContact O-CG 3.28Å; Q523-L527 WeakPolarHBondContact O-CG 3.41Å; Q523-L527 PolarHBondContact O-N 2.87Å
524Q90.2Very high91.4Very high117 Ų117104.3 Ų104.355%0.54749%0.493SS..Hα-helixtrans-64.6-38.1172.8-73.3168.5-18.800112.2I520 R521 W522 H528I520-Q524 VanDerWaalsContact O-CG 3.28Å; I520-Q524 WeakPolarHBondContact O-CG 3.37Å; I520-Q524 PolarHBondContact O-N 2.89Å; R521-Q524 PolarHBondContact O-N 3.17Å; W522-Q524 VanDerWaalsContact C-N 3.34Å; W522-Q524 PolarHBondContact O-N 2.77Å; Q524-H528 PolarHBondContact O-N 3.17Å
525E94.7Very high90.6Very high106 Ų106101.4 Ų101.450%0.49549%0.491SS..Hα-helixtrans-69.7-41.8177.8-159-165.2124.700112.3R521 W522 H528 K529R521-E525 PolarHBondContact O-N 2.86Å; W522-E525 PolarHBondContact O-N 2.89Å; E525-H528 WeakPolarHBondContact O-CB 3.41Å; E525-H528 PolarHBondContact O-N 2.98Å; E525-K529 WeakPolarHBondContact O-CG 3.15Å; E525-K529 PolarHBondContact O-N 2.88Å; E525-K529 WeakPolarHBondContact OE1-CE 3.44Å; E525-K529 IonicContact OE1-NZ 3.44Å; E525-K529 PolarHBondContact OE1-NZ 3.17Å
526E92.1Very high89.9Confident62 Ų62102.6 Ų102.629%0.2950%0.498SS..Hα-helixtrans-67.3-39.3173.7-70.5-57.8118.900112.1W522 H528 K529 I530W522-E526 HydrophobicContact CD2-CG 4.12Å; W522-E526 HydrophobicContact CE3-CG 4.3Å; W522-E526 HydrophobicContact CH2-CG 3.76Å; W522-E526 HydrophobicContact CZ2-CG 3.54Å; W522-E526 HydrophobicContact CZ3-CG 4.13Å; W522-E526 PolarHBondContact O-N 3.08Å; E526-H528 VanDerWaalsContact C-N 3.28Å; E526-H528 PolarHBondContact O-N 2.83Å; E526-K529 PolarHBondContact O-N 3.11Å; E526-K529 WeakPolarHBondContact OE1-CD 3.46Å; E526-K529 IonicContact OE1-NZ 2.7Å; E526-K529 PolarHBondContact OE1-NZ 3.28Å; E526-I530 VanDerWaalsContact O-CG1 3.28Å; E526-I530 WeakPolarHBondContact O-CG1 3.48Å; E526-I530 PolarHBondContact O-N 3.39Å
527L91.6Very high89.2Confident113 Ų113101.7 Ų101.759%0.59250%0.496SS*.Hα-helixtrans-59.9-38.6172.2-78.2168.2000111.8Q523 I530 Q531Q523-L527 WeakPolarHBondContact O-CB 3.25Å; Q523-L527 VanDerWaalsContact O-CG 3.28Å; Q523-L527 WeakPolarHBondContact O-CG 3.41Å; Q523-L527 PolarHBondContact O-N 2.87Å; L527-I530 PolarHBondContact O-N 3.01Å; L527-Q531 WeakPolarHBondContact O-CB 3.36Å; L527-Q531 PolarHBondContact O-N 3.3Å
528H93.4Very high87.9Confident106 Ų106103 Ų10349%0.49150%0.503SS..Hα-helixtrans-62.8-45.8173.9-167.6-78.8000111.9Q524 E525 E526 I530 Q531 E532Q524-H528 PolarHBondContact O-N 3.17Å; E525-H528 WeakPolarHBondContact O-CB 3.41Å; E525-H528 PolarHBondContact O-N 2.98Å; E526-H528 VanDerWaalsContact C-N 3.28Å; E526-H528 PolarHBondContact O-N 2.83Å; H528-I530 VanDerWaalsContact C-N 3.34Å; H528-I530 PolarHBondContact O-N 3.39Å; H528-Q531 WeakPolarHBondContact O-CB 3.37Å; H528-Q531 PolarHBondContact O-N 2.95Å; H528-Q531 VanDerWaalsContact O-N 3.16Å; H528-E532 IonicContact CE1-OE1 2.65Å; H528-E532 PolarHBondContact CE1-OE1 3.44Å; H528-E532 IonicContact CE1-OE2 2.69Å; H528-E532 VanDerWaalsContact ND1-CD 3.33Å; H528-E532 IonicContact ND1-OE1 2.7Å; H528-E532 IonicContact ND1-OE2 3.45Å; H528-E532 PolarHBondContact ND1-OE2 2.99Å; H528-E532 PolarHBondContact O-N 2.88Å
529K92.1Very high86.5Confident68 Ų68105.2 Ų105.230%0.29651%0.508SS..Hα-helixtrans-62.8-39.8177-67.3166.4-161.8163.50112.3E525 E526 Q531 E532 Q533E525-K529 WeakPolarHBondContact O-CG 3.15Å; E525-K529 PolarHBondContact O-N 2.88Å; E525-K529 WeakPolarHBondContact OE1-CE 3.44Å; E525-K529 IonicContact OE1-NZ 3.44Å; E525-K529 PolarHBondContact OE1-NZ 3.17Å; E526-K529 PolarHBondContact O-N 3.11Å; E526-K529 WeakPolarHBondContact OE1-CD 3.46Å; E526-K529 IonicContact OE1-NZ 2.7Å; E526-K529 PolarHBondContact OE1-NZ 3.28Å; K529-Q531 VanDerWaalsContact C-N 3.33Å; K529-E532 PolarHBondContact O-N 3.01Å; K529-Q533 WeakPolarHBondContact O-CB 3.39Å; K529-Q533 WeakPolarHBondContact O-CG 3.35Å; K529-Q533 PolarHBondContact O-N 3.37Å
530I92.6Very high85Confident87 Ų87104.7 Ų104.745%0.44651%0.511SS..Hα-helixtrans-63.5-41.6174.5-68.7163.9000110E526 L527 H528 Q533 L534E526-I530 VanDerWaalsContact O-CG1 3.28Å; E526-I530 WeakPolarHBondContact O-CG1 3.48Å; E526-I530 PolarHBondContact O-N 3.39Å; L527-I530 PolarHBondContact O-N 3.01Å; H528-I530 VanDerWaalsContact C-N 3.34Å; H528-I530 PolarHBondContact O-N 3.39Å; I530-Q533 PolarHBondContact O-N 3.41Å; I530-L534 HydrophobicContact CG2-CD1 3.99Å; I530-L534 WeakPolarHBondContact O-CB 3.35Å; I530-L534 VanDerWaalsContact O-CG 3.3Å; I530-L534 WeakPolarHBondContact O-CG 3.36Å; I530-L534 PolarHBondContact O-N 2.83Å
531Q88.1Confident83Confident140 Ų140105.5 Ų105.565%0.65452%0.516SS*.Hα-helixtrans-66.2-40176.5-173.1171.9-10.100112.6L527 H528 K529 L534 C535L527-Q531 WeakPolarHBondContact O-CB 3.36Å; L527-Q531 PolarHBondContact O-N 3.3Å; H528-Q531 WeakPolarHBondContact O-CB 3.37Å; H528-Q531 PolarHBondContact O-N 2.95Å; H528-Q531 VanDerWaalsContact O-N 3.16Å; K529-Q531 VanDerWaalsContact C-N 3.33Å; Q531-L534 PolarHBondContact O-N 3.05Å; Q531-C535 WeakPolarHBondContact O-CB 3.26Å; Q531-C535 PolarHBondContact O-N 2.93Å
532E90Very high81.2Confident100 Ų100101.7 Ų101.747%0.46751%0.51SS..Hα-helixtrans-64.2-43.4172.5-74.2177.6134.100112H528 K529 C535 L536H528-E532 IonicContact CE1-OE1 2.65Å; H528-E532 PolarHBondContact CE1-OE1 3.44Å; H528-E532 IonicContact CE1-OE2 2.69Å; H528-E532 VanDerWaalsContact ND1-CD 3.33Å; H528-E532 IonicContact ND1-OE1 2.7Å; H528-E532 IonicContact ND1-OE2 3.45Å; H528-E532 PolarHBondContact ND1-OE2 2.99Å; H528-E532 PolarHBondContact O-N 2.88Å; K529-E532 PolarHBondContact O-N 3.01Å; E532-C535 WeakPolarHBondContact O-CB 3.49Å; E532-C535 PolarHBondContact O-N 3.16Å; E532-L536 WeakPolarHBondContact O-CG 3.44Å; E532-L536 PolarHBondContact O-N 2.67Å
533Q84.3Confident79.1Confident129 Ų129102.3 Ų102.360%0.60352%0.52SS*.Hα-helixtrans-64.5-41176-74.6-178.2900112.2K529 I530 C535 L536 V537K529-Q533 WeakPolarHBondContact O-CB 3.39Å; K529-Q533 WeakPolarHBondContact O-CG 3.35Å; K529-Q533 PolarHBondContact O-N 3.37Å; I530-Q533 PolarHBondContact O-N 3.41Å; Q533-C535 VanDerWaalsContact C-N 3.34Å; Q533-L536 PolarHBondContact O-N 2.85Å; Q533-V537 WeakPolarHBondContact O-CB 3.3Å; Q533-V537 VanDerWaalsContact O-CG2 3.29Å; Q533-V537 WeakPolarHBondContact O-CG2 3.35Å; Q533-V537 PolarHBondContact O-N 3.29Å
534L80.9Confident77.3Confident112 Ų112104 Ų10459%0.58653%0.529SS*.Hα-helixtrans-61.6-42.4173.2-76.3167.9000111.5I530 Q531 V537 Q538I530-L534 HydrophobicContact CG2-CD1 3.99Å; I530-L534 WeakPolarHBondContact O-CB 3.35Å; I530-L534 VanDerWaalsContact O-CG 3.3Å; I530-L534 WeakPolarHBondContact O-CG 3.36Å; I530-L534 PolarHBondContact O-N 2.83Å; Q531-L534 PolarHBondContact O-N 3.05Å; L534-V537 PolarHBondContact O-N 2.83Å; L534-Q538 VanDerWaalsContact O-CB 3.3Å; L534-Q538 WeakPolarHBondContact O-CB 3.24Å; L534-Q538 PolarHBondContact O-N 2.84Å
535C79.6Confident75.3Confident66 Ų66107.5 Ų107.545%0.44654%0.543SS..Hα-helixtrans-61.2-47.5176-171.80000111.7Q531 E532 Q533 V537 Q538 D539Q531-C535 WeakPolarHBondContact O-CB 3.26Å; Q531-C535 PolarHBondContact O-N 2.93Å; E532-C535 WeakPolarHBondContact O-CB 3.49Å; E532-C535 PolarHBondContact O-N 3.16Å; Q533-C535 VanDerWaalsContact C-N 3.34Å; C535-V537 VanDerWaalsContact C-N 3.34Å; C535-V537 PolarHBondContact O-N 2.86Å; C535-Q538 WeakPolarHBondContact O-CB 3.45Å; C535-Q538 PolarHBondContact O-N 2.9Å; C535-Q538 VanDerWaalsContact O-N 3.1Å; C535-D539 PolarHBondContact O-N 3.01Å
536L78.4Confident73.1Confident112 Ų112109.2 Ų109.259%0.58656%0.555SS**Hα-helixtrans-62.3-36.9176.2-70.5167.5000113.1E532 Q533 S540E532-L536 WeakPolarHBondContact O-CG 3.44Å; E532-L536 PolarHBondContact O-N 2.67Å; Q533-L536 PolarHBondContact O-N 2.85Å; L536-S540 VanDerWaalsContact O-CB 3.32Å; L536-S540 WeakPolarHBondContact O-CB 3.34Å; L536-S540 PolarHBondContact O-N 2.85Å; L536-S540 PolarHBondContact O-OG 3.08Å
537V75.3Confident70.9Confident85 Ų85114.4 Ų114.452%0.51558%0.579SS.*Hα-helixtrans-70.7-32.1174.3168.60000111.7Q533 L534 C535 N541Q533-V537 WeakPolarHBondContact O-CB 3.3Å; Q533-V537 VanDerWaalsContact O-CG2 3.29Å; Q533-V537 WeakPolarHBondContact O-CG2 3.35Å; Q533-V537 PolarHBondContact O-N 3.29Å; L534-V537 PolarHBondContact O-N 2.83Å; C535-V537 VanDerWaalsContact C-N 3.34Å; C535-V537 PolarHBondContact O-N 2.86Å; V537-N541 PolarHBondContact O-N 2.86Å; V537-N541 PolarHBondContact O-ND2 3.07Å
538Q64.4Low68.3Low137 Ų137118 Ų11864%0.6459%0.593SS**Hα-helixtrans-71.8-45.8176.9-162.3164.628.200111.2L534 C535 S540 N541 V542L534-Q538 VanDerWaalsContact O-CB 3.3Å; L534-Q538 WeakPolarHBondContact O-CB 3.24Å; L534-Q538 PolarHBondContact O-N 2.84Å; C535-Q538 WeakPolarHBondContact O-CB 3.45Å; C535-Q538 PolarHBondContact O-N 2.9Å; C535-Q538 VanDerWaalsContact O-N 3.1Å; Q538-S540 VanDerWaalsContact C-N 3.31Å; Q538-S540 PolarHBondContact O-N 2.76Å; Q538-N541 WeakPolarHBondContact O-CB 3.33Å; Q538-N541 PolarHBondContact O-N 2.83Å; Q538-N541 VanDerWaalsContact O-N 3.13Å; Q538-V542 WeakPolarHBondContact O-CG2 3.42Å; Q538-V542 PolarHBondContact O-N 2.88Å
539D63.3Low65.8Low93 Ų93119.1 Ų119.150%0.49761%0.609SS.*Hα-helixtrans-60.4-39.3171.2-79.7-26.5000112C535 N541 V542 Q543C535-D539 PolarHBondContact O-N 3.01Å; D539-N541 VanDerWaalsContact C-N 3.31Å; D539-N541 PolarHBondContact O-N 2.88Å; D539-V542 PolarHBondContact O-N 2.91Å; D539-Q543 PolarHBondContact O-N 2.77Å
540S60.2Low62.8Low75 Ų75120.4 Ų120.452%0.52463%0.632SS.*Hα-helixtrans-64-34.8174.9-60.50000112.6L536 Q538 M544L536-S540 VanDerWaalsContact O-CB 3.32Å; L536-S540 WeakPolarHBondContact O-CB 3.34Å; L536-S540 PolarHBondContact O-N 2.85Å; L536-S540 PolarHBondContact O-OG 3.08Å; Q538-S540 VanDerWaalsContact C-N 3.31Å; Q538-S540 PolarHBondContact O-N 2.76Å; S540-M544 PolarHBondContact O-N 2.63Å
541N53Low59.9Low92 Ų92122.4 Ų122.449%0.49265%0.649SS.*Hα-helixtrans-67.5-42.9171.8-101.3-89.4000112V537 Q538 D539 Q543 M544 F545V537-N541 PolarHBondContact O-N 2.86Å; V537-N541 PolarHBondContact O-ND2 3.07Å; Q538-N541 WeakPolarHBondContact O-CB 3.33Å; Q538-N541 PolarHBondContact O-N 2.83Å; Q538-N541 VanDerWaalsContact O-N 3.13Å; D539-N541 VanDerWaalsContact C-N 3.31Å; D539-N541 PolarHBondContact O-N 2.88Å; N541-Q543 VanDerWaalsContact C-N 3.29Å; N541-Q543 PolarHBondContact O-N 2.74Å; N541-M544 PolarHBondContact O-N 3.17Å; N541-M544 VanDerWaalsContact O-N 3.14Å; N541-F545 PolarHBondContact O-N 3.39Å; N541-F545 VanDerWaalsContact O-N 3.07Å
542V55.4Low56.9Low80 Ų80121.7 Ų121.749%0.48566%0.659SS.*Hα-helixtrans-61.1-38.1177.5172.50000111.2Q538 D539 F545 L546Q538-V542 WeakPolarHBondContact O-CG2 3.42Å; Q538-V542 PolarHBondContact O-N 2.88Å; D539-V542 PolarHBondContact O-N 2.91Å; V542-F545 PolarHBondContact O-N 3.32Å; V542-L546 HydrophobicContact CG1-CD1 4.26Å; V542-L546 PolarHBondContact O-N 3Å
543Q52.3Low54.1Low157 Ų157124.8 Ų124.873%0.73468%0.678SS**Hα-helixtrans-66.1-37.3173.8-70.9-164.615.900113.4D539 N541 L546D539-Q543 PolarHBondContact O-N 2.77Å; N541-Q543 VanDerWaalsContact C-N 3.29Å; N541-Q543 PolarHBondContact O-N 2.74Å; Q543-L546 PolarHBondContact O-N 3.32Å
544M52.7Low51.3Low146 Ų146123.9 Ų123.972%0.71969%0.686SS**Hα-helixtrans-65.2-37.6174.4-106.6-153.4-5800112.6S540 N541 L546S540-M544 PolarHBondContact O-N 2.63Å; N541-M544 PolarHBondContact O-N 3.17Å; N541-M544 VanDerWaalsContact O-N 3.14Å; M544-L546 VanDerWaalsContact C-N 3.26Å; M544-L546 PolarHBondContact O-N 2.84Å
545F47.9Very low48.7Very low191 Ų191128.5 Ų128.584%0.83870%0.702SS**Hα-helixtrans-74.8-14.9-176.8-137.1-89.3000113.8N541 V542N541-F545 PolarHBondContact O-N 3.39Å; N541-F545 VanDerWaalsContact O-N 3.07Å; V542-F545 PolarHBondContact O-N 3.32Å
546L47.3Very low46.1Very low142 Ų142130.1 Ų130.174%0.74371%0.714SS**THydrogen-bonded Turntrans-88.75.5179.5-95.2161.6000114.7V542 Q543 M544V542-L546 HydrophobicContact CG1-CD1 4.26Å; V542-L546 PolarHBondContact O-N 3Å; Q543-L546 PolarHBondContact O-N 3.32Å; M544-L546 VanDerWaalsContact C-N 3.26Å; M544-L546 PolarHBondContact O-N 2.84Å
547Q47.2Very low43.5Very low172 Ų172130.1 Ų130.180%0.80472%0.723SS**  trans-133.370.7-177-162.1159.6114.100114.6
548Q35.3Very low41.2Very low189 Ų189131.5 Ų131.588%0.88373%0.732SS**  trans-129.2131.8151-70.4-161.96.300111.1
549P41.3Very low39.4Very low128 Ų128134 Ų13483%0.83174%0.744SS**  trans-83.4160.8178.734.8-35.5000112.4
550A30.3Very low37.6Very low95 Ų95140.7 Ų140.779%0.78576%0.762SS**  trans-78.1132.3-177.300000114
551V30.7Very low36.8Very low130 Ų130141.6 Ų141.679%0.78877%0.766SS**  trans37.5114.8143.3-173.20000118.7
552S26Very low35.5Very low124 Ų124145.6 Ų145.687%0.86778%0.782SS**  trans-158.8136.8131.8-84.30000111.9
553L29.6Very low34.1Very low165 Ų165146 Ų14686%0.86479%0.793SS**  trans-105.8127.5176.6-71.3164.5000109.8
554S25.3Very low32.9Very low111 Ų111147.2 Ų147.278%0.77680%0.799SS**  trans177.2126.2137330000114.3
555F27.5Very low31.9Very low209 Ų209147.5 Ų147.592%0.91780%0.798SS**  trans42.4158.5142.9-74.7-81.4000124.6
556S23.8Very low31.1Very low100 Ų100145.9 Ų145.970%0.69979%0.794SS**  trans-87.7162.1-165.9-39.30000114.9
557S25.4Very low30.4Very low112 Ų112145 Ų14578%0.78379%0.789SS**  trans72145.7166.4750000116
558T25.7Very low29.8Very low114 Ų114143.4 Ų143.470%0.69978%0.781SS**  cis-151.8154.516-28.30000112.7
559Q27.8Very low30Very low190 Ų190140.2 Ų140.289%0.88877%0.767SS**  trans70.9157.3153.8-86.1168.615.800122
560R24.5Very low29.5Very low233 Ų233143.7 Ų143.788%0.87976%0.763SS**  trans-84.6177171.9-123.8-178.1179.4137.4-3.6109.3
561P44.6Very low29.2Very low94 Ų94144.2 Ų144.261%0.6176%0.761SS**  cis-139.7-180-1.442-23000116.7
562E24.6Very low29.3Very low176 Ų176142.4 Ų142.482%0.82276%0.76SS**  trans44.9120.3139-70.8170.1124.300124.6
563A27.2Very low29.7Very low88 Ų88140.8 Ų140.873%0.72775%0.754SS**  91.9157.612200000122.6
564Q27Very low29.8Very low182 Ų182139.3 Ų139.385%0.8575%0.751SS**  trans66150.3174.2-60.3-177.9-75.600117.3
565Q31.2Very low29.9Very low152 Ų152140.4 Ų140.471%0.7175%0.754SS**  cis163.9126.3-35-110.1-170.82.700105.9
566Q31.6Very low29.9Very low158 Ų158138 Ų13874%0.73875%0.745SS**  trans65.2158155.4-58.7-170.5-7.500116.6
567L31.7Very low30.7Very low124 Ų124139.3 Ų139.365%0.64975%0.751SS**  cis-145.8-154.60.3-146.937000107.1
568Q35.2Very low30.8Very low137 Ų137141.6 Ų141.664%0.6475%0.75SS**  cis-161.5113.35.9-160.8152.1-19.800114.7
569Q38.6Very low30.9Very low123 Ų123144.4 Ų144.458%0.57576%0.759SS**  trans65.9165.4142.9-65.8178.82600119.7
570R31.8Very low30.8Very low200 Ų200138.8 Ų138.876%0.75575%0.753SS**  cis-153.8153.4-11.6-122.9169.9177.9156.9-13.4108.7
571S24.6Very low30.8Very low107 Ų107132.8 Ų132.875%0.74875%0.753SS**  -175.8135.379.8-72.40000108
572A32.7Very low30.1Very low92 Ų92131.8 Ų131.876%0.7676%0.76SS**  69.8128.369.700000114.7
573A33.1Very low31.1Very low89 Ų89130 Ų13074%0.73676%0.763SS**  cis-169.9173.4-7.700000113.7
574V32Very low31Very low134 Ų134133.9 Ų133.981%0.81277%0.766SS**  trans74.1141.6160-177.10000115.4
575T26.5Very low31.1Very low135 Ų135132.7 Ų132.783%0.82877%0.765SS**  cis-140167.725.5-210000114.5
576Q28Very low31.5Very low159 Ų159131.4 Ų131.474%0.74377%0.77SS**  trans-124.4167.8165-143.3-167.23.400108.8
577P41.6Very low31.1Very low126 Ų126127.1 Ų127.182%0.81877%0.768SS**  -149.1-166.778.140.4-20.1000114.8
578Q27.1Very low30.8Very low161 Ų161130.3 Ų130.375%0.75278%0.78SS**  trans-122.7-174.6-177.4-155-1733.800110.7
579L28.7Very low30.5Very low172 Ų172131 Ų13190%0.90179%0.786SS**  trans88141.9172-56.1154.2000116.1
580G24.3Very low29.8Very low73 Ų73130.6 Ų130.675%0.75380%0.797SS**  cis155.2149.5-1200000115
581A25.8Very low29.6Very low107 Ų107127 Ų12788%0.88480%0.803SS**  trans-155.1126.9163.300000110.8
582G28.5Very low29.7Very low73 Ų73126.1 Ų126.175%0.75380%0.801SS**  trans-100.5-158.717000000111.7
583P45.3Very low29.3Very low137 Ų137130.6 Ų130.689%0.8981%0.807SS**  cis-133.5-160.324.541.6-23.1000114.8
584Q26.8Very low28.9Very low171 Ų171132.2 Ų132.280%0.79981%0.807SS**  trans-109.3150.9-179-60.2177.9-5000113.4
585L28.9Very low28.5Very low156 Ų156131.7 Ų131.782%0.81780%0.804SS**  trans63.1170.8150-70.9163.9000117.3
586P38Very low28.3Very low126 Ų126130.9 Ų130.982%0.81880%0.804SS**  cis-118.5-157.6-0.541.9-26.2000114
587G23.6Very low28.2Very low68 Ų68131.9 Ų131.970%0.70181%0.809SS**  trans-106.7-129.8-174.100000116.4
588Q26.3Very low27.5Very low191 Ų191133.5 Ų133.589%0.89381%0.805SS**  trans76.8150.7-169.4-109.9176.541.300113.9
589I29.3Very low27.5Very low151 Ų151131.9 Ų131.977%0.77480%0.801SS**  cis-137.8158.68.9-44.2162.9000110.8
590S23.2Very low27.4Very low115 Ų115129.3 Ų129.380%0.80479%0.788SS**  trans-79.1161.7173.9-34.60000115.5
591S28.3Very low27.5Very low125 Ų125134.6 Ų134.687%0.87479%0.785SS**  trans-156.6157.7138.368.70000110.9
592A25.9Very low27.4Very low87 Ų87135.8 Ų135.872%0.71977%0.772SS**  trans-153.8147.8-17200000114.7
593Q24.5Very low27.3Very low186 Ų186137.3 Ų137.387%0.86977%0.771SS**  trans64.9166.6153.5-71-174-35.500121.4
594V24.5Very low26.2Very low123 Ų123135.6 Ų135.675%0.74576%0.763SS**  trans88.787.5161-164.30000118.9
595T22.8Very low26.1Very low123 Ų123133.2 Ų133.276%0.75576%0.759SS**  41.6121117.2-39.90000120.8
596S22.7Very low26Very low119 Ų119133 Ų13383%0.83276%0.757SS**  178.2160.7116.4-790000114
597Q27.1Very low25.4Very low179 Ų179132 Ų13284%0.83675%0.753SS**  trans-90.6174.5178.4-52172.112.700111.8
598H26.5Very low25.5Very low160 Ų160133.7 Ų133.774%0.74175%0.751SS**  160.3175.9100.5-156.4-167.5000113
599L27.4Very low25.6Very low127 Ų127133.5 Ų133.567%0.66575%0.75SS**  trans73.3144.4164.4-91.567.2000118.3
600L26.9Very low25.4Very low119 Ų119129.5 Ų129.562%0.62375%0.746SS**  cis-153.6151.3-0.1-93.7176.7000113.2
601R25.2Very low26Very low184 Ų184130.4 Ų130.469%0.69475%0.749SS**  trans60.1161.3137.8-69.5171.9125.892.312.9121.4
602E23.7Very low26.2Very low132 Ų132133.7 Ų133.762%0.61775%0.747SS**  cis-150.2140.9-9.3-120.9152.4168.700108.6
603S25.7Very low26.9Very low105 Ų105134.8 Ų134.873%0.73475%0.747SS**  59.2142.8100-59.60000117.5
604S23.7Very low26.9Very low101 Ų101133 Ų13371%0.70674%0.74SS**  cis179.1-177.9-8.552.20000111.9
605V24.8Very low26.9Very low120 Ų120136.9 Ų136.973%0.72774%0.742SS**  trans96.7124149.4170.60000122.6
606I27Very low27Very low151 Ų151135.7 Ų135.777%0.77474%0.738SS**  trans66.2115.2154-75.9168.4000119.7
607S24.4Very low27.2Very low105 Ų105134 Ų13473%0.73473%0.726SS**  83.9147.384.4-139.60000113.6
608T25.4Very low27.2Very low105 Ų105133.2 Ų133.264%0.64472%0.723SS**  cis-155153.438.848.80000116.3
609Q28.1Very low27.3Very low187 Ų187132.2 Ų132.287%0.87472%0.722SS**  trans65.9136.8144.1-70.1172.913.500122.7
610G24.7Very low27.4Very low67 Ų67134.1 Ų134.169%0.69173%0.73SS**  trans-104.6-160.2155.600000111.1
611P37.5Very low27.6Very low134 Ų134137 Ų13787%0.8774%0.74SS**  -145.7-175.354.740.9-21.8000116.7
612K32Very low27.7Very low194 Ų194133.8 Ų133.884%0.84375%0.746SS**  trans-90.5170.9166.1-57.3177.3-178.3176.90110.8
613P39.3Very low27.9Very low109 Ų109133.8 Ų133.871%0.70876%0.76SS**  -145.6143.798.539.8-24.3000114.5
614M25.4Very low27.9Very low148 Ų148132.5 Ų132.573%0.72976%0.764SS**  71.5151.2105.7-62.41736300116.1
615R25.6Very low28.1Very low205 Ų205139.3 Ų139.377%0.77477%0.774SS**  cis-154.2156.5-5.1-119.5-168.9173.1148.6-2.7107.3
616S24.5Very low28.4Very low98 Ų98139.3 Ų139.369%0.68578%0.78SS**  54139.292.6-1400000115.3
617S26.2Very low28.4Very low83 Ų83135.9 Ų135.958%0.5878%0.782SS**  cis177.6157.5-6.738.50000112.6
618Q26.8Very low28.7Very low164 Ų164136.7 Ų136.777%0.76679%0.787SS**  trans67133.1145.6-76.2169.4-50.300123.5
619L29.3Very low28.8Very low138 Ų138135.9 Ų135.972%0.72379%0.786SS**  trans45.7125.2131.4-61.7164.9000122
620M28.3Very low28.9Very low167 Ų167134.5 Ų134.582%0.82378%0.783SS**  -176.5170.8107.2-103.7-71.697.600113.7
621Q31.2Very low29Very low180 Ų180137.4 Ų137.484%0.84179%0.787SS**  trans-115.8144172.1-63.6174.2-13.600110.4
622S27.2Very low28.5Very low117 Ų117135.5 Ų135.582%0.81878%0.777SS**  trans-165.5118.2151.760.60000115
623S28.5Very low29.4Very low131 Ų131130.4 Ų130.492%0.91676%0.764SS**  trans8.9136.6144.7-49.70000122.5
624G25.7Very low28.9Very low79 Ų79134 Ų13481%0.81477%0.769SS**  trans-154.5150.2158.400000111
625R29.2Very low29Very low243 Ų243131.6 Ų131.692%0.91777%0.767SS**  trans-131.4161.1-167.2-103.5-170.6168.4-165.8-2.2114
626S30Very low29.1Very low121 Ų121127.4 Ų127.485%0.84677%0.769SS**  trans91.8132.7148.7-58.70000120.4
627G27.8Very low29.3Very low79 Ų79126.5 Ų126.581%0.81477%0.767SS**  trans161.6101.3162.300000116.3
628S29.6Very low29.4Very low121 Ų121129.1 Ų129.185%0.84678%0.78SS**  trans-32165.7164.8-690000119.8
629S28.2Very low29.5Very low89 Ų89126.1 Ų126.162%0.62278%0.783SS**  cis176.4166-15.259.80000111.1
630L29.5Very low29.5Very low157 Ų157124.4 Ų124.482%0.82279%0.789SS**  trans66.9156.6158.6-63.2171000117.3
631V27.1Very low29.6Very low128 Ų128124.5 Ų124.578%0.77679%0.792SS**  cis-154.3170.3-38.81030000109.3
632S27.8Very low30.3Very low94 Ų94121.4 Ų121.466%0.65779%0.787SS**  trans-86.5-154-178.958.20000112
633P50.8Low31.3Very low87 Ų87121.4 Ų121.457%0.56579%0.785SS**  cis-142.4-165.5-4.822.57000116.6
634F27.4Very low31.2Very low186 Ų186119.9 Ų119.982%0.81677%0.774SS**  trans83.9152159.3-53.2-57.8000119.5
635S28.1Very low31.3Very low97 Ų97123.4 Ų123.468%0.67877%0.773SS**  cis-173.7157.9-36.3-102.40000111.3
636S27.8Very low31.1Very low117 Ų117118.3 Ų118.382%0.81876%0.764SS**  trans32.6149.4144.4-55.50000123.3
637A29.6Very low30.9Very low79 Ų79120.5 Ų120.565%0.65377%0.765SS**  cis-174.7168.6-13.200000111.7
638T27.8Very low30.8Very low137 Ų137123 Ų12384%0.8477%0.765SS**  trans62.1126.2147.842.50000124.8
639A29.6Very low30.7Very low102 Ų102123.4 Ų123.484%0.84376%0.763SS**  96159.7127.600000123.3
640A29.1Very low30.9Very low101 Ų101125.5 Ų125.584%0.83577%0.774SS**  trans93.1118166.200000121.3
641L29.6Very low30.6Very low169 Ų169122.2 Ų122.289%0.88577%0.77SS**  trans-100.7-175.4149.4-68.2162.4000107.4
642P46.1Very low30.6Very low116 Ų116121.4 Ų121.475%0.75377%0.77SS**  cis-123.5-144.6-942.9-23.9000109.2
643P47.8Very low30.5Very low117 Ų117124 Ų12476%0.7678%0.782SS**  cis-131.5-171.8-14.239.7-19.9000116.1
644S27.2Very low29.3Very low99 Ų99125.4 Ų125.469%0.69279%0.794SS**  trans-50.4157.7175.855.30000118.6
645L27.3Very low29.4Very low153 Ų153126.3 Ų126.380%0.80180%0.801SS**  -167.4168.9113.5-105171.5000115.5
646N24.8Very low29.2Very low135 Ų135129.4 Ų129.472%0.72281%0.809SS**  trans-64.4146.4-161.5-62.6-19.8000119.3
647L25.9Very low29.1Very low167 Ų167127.6 Ų127.687%0.87480%0.801SS**  17.4119.5123.5-166.282.2000118.7
648T24.9Very low29Very low133 Ų133128.9 Ų128.982%0.81681%0.806SS**  trans-155.5135.9146.4-6.80000112.4
649T27.9Very low28.9Very low129 Ų129131.9 Ų131.979%0.79181%0.81SS**  trans-87150.7160.647.80000110.7
650P32.2Very low28.7Very low132 Ų132132.7 Ų132.786%0.85781%0.809SS**  trans-125.3166.8135.836.5-29000112.2
651A24.7Very low28.5Very low88 Ų88136 Ų13673%0.72781%0.807SS**  trans-102.6163.5-167.600000114.6
652S26.2Very low28.7Very low112 Ų112133.1 Ų133.178%0.78380%0.798SS**  trans5.7124.2155.458.20000119.9
653T26Very low27.8Very low148 Ų148132.1 Ų132.191%0.90879%0.794SS**  trans-128.3142.8140.843.10000109.6
654S26.2Very low27.1Very low117 Ų117132.6 Ų132.682%0.81880%0.797SS**  trans-101.3139.3-177.648.10000111.6
655Q28.7Very low27.1Very low205 Ų205134.6 Ų134.696%0.95880%0.8SS**  trans-155.1161.7148.7-117.6170.614.700111.1
656D24.8Very low27.4Very low161 Ų161137.1 Ų137.186%0.86181%0.805SS**  trans-106.1-170-158.9-160.6-6.6000112
657A25.7Very low27.7Very low79 Ų79135.2 Ų135.265%0.65380%0.802SS**  trans99.584.517100000117.7
658S26Very low28.2Very low106 Ų106134.8 Ų134.874%0.74180%0.795SS**  51103.5124.666.10000120.4
659Q26.8Very low29Very low200 Ų200134.6 Ų134.694%0.93579%0.789SS**  -163.7142.7111.3-104.5170.53700109.8
660C23.8Very low29.3Very low120 Ų120139.3 Ų139.381%0.81179%0.792SS**  trans-147.8167.9-173.9-164.70000110.5
661Q26.9Very low29.4Very low170 Ų170139.9 Ų139.979%0.79478%0.784SS**  trans75.2150.7-176.4-62.2-82.3-42.200116
662P33.2Very low30Very low109 Ų109141.1 Ų141.171%0.70878%0.778SS**  cis-122.4156.2-15.934.2-18.1000114.2
663S27.7Very low30.5Very low94 Ų94146.5 Ų146.566%0.65778%0.781SS**PPolyproline II helixtrans-79.9152.7156.143.70000110.5
664P32.1Very low31Very low128 Ų128146.2 Ų146.283%0.83177%0.773SS**PPolyproline II helixtrans-76.8129.2172.131.2-32.5000111.1
665D27.6Very low31.4Very low141 Ų141146.9 Ų146.975%0.75477%0.766SS**PPolyproline II helixtrans-82.5160.4178-94.1-46.9000114S667D665-S667 PolarHBondContact O-N 2.82Å
666F34.4Very low31.7Very low206 Ų206144.9 Ų144.990%0.90476%0.762SS**PPolyproline II helixtrans-58.2128.9171.8-81.3-111.7000111.3
667S30.5Very low32.1Very low94 Ų94141.7 Ų141.766%0.65775%0.752SS**  trans-138.714.4-178.4450000114.7D665D665-S667 PolarHBondContact O-N 2.82Å
668H36.2Very low32.6Very low158 Ų158145.2 Ų145.273%0.73176%0.755SS**SBendtrans-80.9-28.9-177.6-69-69000114.7R670 Q671H668-R670 PolarHBondContact O-N 3.08Å; H668-Q671 PolarHBondContact O-N 3.09Å
669D41.3Very low32.8Very low129 Ų129145.6 Ų145.669%0.6976%0.755SS**Hα-helixtrans-64.2-39.2-170.6-153-86.5000113.5Q671 L672D669-Q671 PolarHBondContact O-N 3.48Å; D669-Q671 VanDerWaalsContact O-N 3.16Å; D669-L672 PolarHBondContact O-N 3.21Å
670R34.5Very low33.2Very low228 Ų228144 Ų14486%0.8675%0.751SS**Hα-helixtrans-71-13.4-173.1-121.8-179.1-170.5-131.21.6114.9H668H668-R670 PolarHBondContact O-N 3.08Å
671Q33.7Very low33.6Very low145 Ų145146.6 Ų146.668%0.67875%0.751SS**Hα-helixtrans-82.8-27.7179.7-149.674.91.200112.3H668 D669H668-Q671 PolarHBondContact O-N 3.09Å; D669-Q671 PolarHBondContact O-N 3.48Å; D669-Q671 VanDerWaalsContact O-N 3.16Å
672L37.6Very low33.7Very low114 Ų114144.3 Ų144.360%0.59775%0.751SS**Hα-helixtrans-72.1-32.1-174.5-76.1162.6000113.2D669 L674 L675D669-L672 PolarHBondContact O-N 3.21Å; L672-L674 PolarHBondContact O-N 3.31Å; L672-L674 VanDerWaalsContact O-N 3.07Å; L672-L675 PolarHBondContact O-N 3.03Å
673R37.3Very low33.5Very low224 Ų224147.9 Ų147.985%0.84576%0.76SS**THydrogen-bonded Turntrans-70.92.6-179.6-85.4-172.8172172.10.9115.9
674L36Very low33.7Very low143 Ų143149.4 Ų149.475%0.74976%0.759SS**THydrogen-bonded Turntrans-115.21.1174.3-81.3166.7000114.5L672L672-L674 PolarHBondContact O-N 3.31Å; L672-L674 VanDerWaalsContact O-N 3.07Å
675L34.6Very low33.9Very low130 Ų130149 Ų14968%0.68176%0.756SS**THydrogen-bonded Turntrans-107.2-14.7178.2-80.2164.6000114.2L672 S677L672-L675 PolarHBondContact O-N 3.03Å; L675-S677 PolarHBondContact O-N 2.99Å
676L34.8Very low34.1Very low164 Ų164145.8 Ų145.886%0.85976%0.757SS**SBendtrans-81.411.5179-74.8165.5000114.7
677S34.5Very low33.8Very low93 Ų93141.6 Ų141.665%0.6575%0.753SS**SBendtrans-119.348.3179.168.80000112.6L675L675-S677 PolarHBondContact O-N 2.99Å
678Q34.3Very low33.7Very low154 Ų154143 Ų14372%0.7276%0.761SS**SBendtrans-132.2135.1172.1-72.2-69.5-3.900109.9
679P30.7Very low33.3Very low114 Ų114143 Ų14374%0.7477%0.767SS**PPolyproline II helixtrans-72.6134176.229.8-33.4000111.2Q681P679-Q681 PolarHBondContact O-N 3.18Å
680I36.2Very low32.7Very low167 Ų167141.7 Ų141.786%0.85677%0.773SS**PPolyproline II helixtrans-67.1127.7-177.9-60.8170.7000110.3
681Q31Very low32.3Very low173 Ų173142.4 Ų142.481%0.80878%0.776SS**PPolyproline II helixtrans-92.3136.5169.1-67.5-173.1-4.900110.6P679P679-Q681 PolarHBondContact O-N 3.18Å
682P30.7Very low32Very low123 Ų123144 Ų14480%0.79978%0.783SS**PPolyproline II helixtrans-75.8124.5173.630.2-32.9000111
683M28.3Very low31.6Very low183 Ų183144 Ų14490%0.90179%0.79SS**PPolyproline II helixtrans-85.3133.5167.8-75.4-178.760.500110.6
684M32.1Very low31.1Very low126 Ų126139 Ų13962%0.62179%0.79SS**PPolyproline II helixtrans-85.1147.5175.9-70.5-67.8-7000111.4
685P35.5Very low30.6Very low120 Ų120141 Ų14178%0.77980%0.795SS**PPolyproline II helixtrans-64137.6173.7-20.933.1000112.7
686G32.3Very low30.2Very low74 Ų74141.7 Ų141.776%0.76381%0.805SS**PPolyproline II helixtrans-74.5143.4169.200000111.8
687S28.1Very low29.7Very low117 Ų117139 Ų13982%0.81880%0.8SS**PPolyproline II helixtrans-83.3131.9177.2-172.80000111.4
688C28Very low29.4Very low124 Ų124146.1 Ų146.184%0.83881%0.812SS**  trans-103.2106.4172.1-670000110A690C688-A690 PolarHBondContact O-N 2.96Å
689D28.6Very low29.1Very low158 Ų158145.3 Ų145.385%0.84582%0.818SS**  trans-70.9119.3172.3-101.4-45.1000110.9
690A28.4Very low28.9Very low101 Ų101143.3 Ų143.384%0.83582%0.818SS**  trans-84.2123.217400000111C688C688-A690 PolarHBondContact O-N 2.96Å
691R26.5Very low28.4Very low244 Ų244146 Ų14692%0.92182%0.818SS**  trans-119.1134.3164.2-84.6-167.8173.8-166.6-0111.7
692Q27.3Very low28.1Very low177 Ų177144.1 Ų144.183%0.82781%0.809SS**  trans-63.2153.7177.4-75.6-89.2-19.200112.3
693P28.7Very low27.9Very low114 Ų114144 Ų14474%0.7481%0.806SS**  trans-71.9168.3174.832.5-36.5000112.3
694S26Very low27.7Very low120 Ų120144.8 Ų144.884%0.83980%0.804SS**  trans-140.7132.6169.7-65.40000110.1
695E25.3Very low27.2Very low184 Ų184149.7 Ų149.786%0.8682%0.817SS**  trans-72.7147.2-177-59.31739600112.4
696V27.4Very low26.6Very low145 Ų145147.9 Ų147.988%0.87981%0.812SS**  trans-133.3116159.51770000108.9
697S24.6Very low26.2Very low109 Ų109152.2 Ų152.276%0.76281%0.813SS**  trans-82.7151.4-172.1-31.90000113.3
698R27.7Very low26Very low241 Ų241151.9 Ų151.991%0.90981%0.811SS**  trans-143.3116.1157.4-126.2177.8-177.8-173.70.5113.3
699T28.5Very low25.8Very low137 Ų137153.8 Ų153.884%0.8481%0.807SS**  trans-14.5141.3158.154.80000117.4
700G24.8Very low25.7Very low72 Ų72151.9 Ų151.974%0.74280%0.801SS**  cis136.4164.12.900000112.8
701R27.4Very low25.4Very low224 Ų224152.5 Ų152.585%0.84579%0.794SS**  trans74143.2-178.8-90.9-166.7175.9-148.78.5116.4
702Q24.8Very low25.3Very low133 Ų133150.2 Ų150.262%0.62179%0.791SS**  cis-164.4176.2-7.1-156.3171.71.900111.5
703V25.6Very low25.3Very low121 Ų121150 Ų15073%0.73379%0.791SS**  trans83.1127.2165.6-1740000113.9
704K23.3Very low25.1Very low199 Ų199152.3 Ų152.387%0.86580%0.797SS**  cis-145.7178.1-1-131.1166.3-169.7178.50110
705Y21.5Very low25.7Very low229 Ų229152.3 Ų152.390%0.89879%0.794SS**  trans-130.3170.2-177.5-125.5-91.6000111.9
706A24.7Very low25.7Very low82 Ų82151 Ų15168%0.67879%0.793SS**  trans79.2151.8161.500000118.6
707Q22.9Very low25.7Very low166 Ų166148.9 Ų148.978%0.77679%0.79SS**  cis179.3126.2-17.5166.7-178.8-0.600111.8
708S24.9Very low25.9Very low110 Ų110152.2 Ų152.277%0.76979%0.793SS**  trans170.1139.6158.3530000108.6
709Q23.2Very low26.4Very low164 Ų164146.7 Ų146.777%0.76679%0.789SS**  cis66.2125.328.9-67.5-166.3-23.900114.3
710T25.5Very low26.3Very low117 Ų117144.8 Ų144.872%0.71879%0.787SS**  cis-168.8162.90.93.70000110.9
711V23.2Very low26.5Very low114 Ų114149 Ų14969%0.69179%0.793SS**  trans70125155.7174.80000119.1
712F24.4Very low26.5Very low196 Ų196143.7 Ų143.786%0.8679%0.79SS**  -166.7172.5113.9-111.6-74.1000112.4
713Q26.2Very low26.7Very low173 Ų173143 Ų14381%0.80880%0.799SS**  trans-109.7159.5-170.8-64.7171.8-56.400112.9
714N25.8Very low26.9Very low163 Ų163143 Ų14387%0.87281%0.805SS**  trans-74.5156.5167.8-83.94.2000112.9
715P38.2Very low27.4Very low119 Ų119138.3 Ų138.377%0.77380%0.803SS**  trans-122.2158.5139.937.1-28000112.7
716D25.1Very low28Very low158 Ų158133.1 Ų133.185%0.84580%0.798SS**  trans-80.1156-175.2-53.9-93.1000115.8
717A27.5Very low28.2Very low100 Ų100137.2 Ų137.283%0.82681%0.805SS**  trans-164.2138135.600000113.3
718H29.5Very low28.9Very low178 Ų178135.3 Ų135.382%0.82481%0.807SS**  trans-69.2165.2173-65.3-59.5000112.4
719P37.3Very low29.1Very low126 Ų126136.6 Ų136.682%0.81881%0.81SS**  cis-156.6-167.248.645.4-22.8000119.6
720A27.1Very low29.2Very low97 Ų97136.8 Ų136.880%0.80282%0.815SS**  trans96.9139.2159.600000118.6
721N27.4Very low29.4Very low161 Ų161138.8 Ų138.886%0.86182%0.821SS**  trans-94.7136.4-174.3-58.3-21.5000111.2
722S27.6Very low29.7Very low112 Ų112141.7 Ų141.778%0.78383%0.829SS**  162.9115.9114.549.20000112.4
723S29.2Very low29.9Very low117 Ų117136.1 Ų136.182%0.81883%0.826SS**  trans168.7134.7148.541.40000111.2
724S31.1Very low30.1Very low122 Ų122137.3 Ų137.385%0.85383%0.832SS**  166.8115129.840.80000109.4
725A32.4Very low30.2Very low100 Ų100134.6 Ų134.683%0.82683%0.832SS**  trans-120.2124.8168.500000107.6
726P35.6Very low29.7Very low121 Ų121135.4 Ų135.479%0.78683%0.834SS**  trans-94143.2178.634.5-32.1000112.8
727M29Very low29.8Very low167 Ų167135.9 Ų135.982%0.82384%0.836SS**  trans19.4118150.9-55.8-56.8-165.500119.6
728P37.1Very low29.8Very low127 Ų127140 Ų14083%0.82584%0.838SS**  trans-79.6124.8154.132.6-29.3000110.6
729V27.8Very low30.3Very low137 Ų137136.2 Ų136.283%0.8383%0.83SS**  trans-102.4127161.1174.80000107.2
730L27.2Very low29.8Very low168 Ų168135.7 Ų135.788%0.8883%0.829SS**  trans-135.8126.1177-148.1102.3000109.7
731L28.2Very low30Very low159 Ų159140.4 Ų140.483%0.83283%0.831SS**  trans-141.6132.4174.7-16181.9000110.2
732M30.6Very low30.6Very low175 Ų175138.8 Ų138.886%0.86283%0.83SS**  trans19.3113.7160.7-71.2-66.1172.600119.1
733G29Very low30.6Very low78 Ų78137.6 Ų137.680%0.80483%0.827SS**PPolyproline II helixtrans-91.3135.9156.100000111.6
734Q30Very low30.5Very low198 Ų198137.4 Ų137.493%0.92583%0.825SS**PPolyproline II helixtrans-102.3150.1159.8-85.5-169.8-23.900110.1
735A28.3Very low30.3Very low106 Ų106140 Ų14088%0.87682%0.824SS**PPolyproline II helixtrans-82.6138-173.900000113
736V25.9Very low30.6Very low136 Ų136141.2 Ų141.282%0.82482%0.823SS**  trans-131.6136.8163.1178.90000108.6
737L28Very low30.3Very low169 Ų169140.7 Ų140.789%0.88582%0.823SS**  trans-69.9142.2-179.1-68.2148.9000111.9
738H27.3Very low31.4Very low185 Ų185138.1 Ų138.186%0.85682%0.818SS**  trans-143.9152.8160.2-112.3-94.5000111.7
739P39.7Very low30.9Very low100 Ų100140.4 Ų140.465%0.64982%0.823SS**  trans-112.4168.7-164.540.8-33.5000116.2
740S27.4Very low31.3Very low115 Ų115142.2 Ų142.280%0.80482%0.822SS**  trans78.5151.6151.764.10000121.1
741F31.8Very low32.4Very low195 Ų195139.9 Ų139.986%0.85582%0.817SS**  trans-80167.2-170-71.7-94.4000114.8
742P39.8Very low32.5Very low127 Ų127136.6 Ų136.683%0.82581%0.813SS**  -125.1-176.111037.2-32.6000114.1
743A26.7Very low32.6Very low88 Ų88137.5 Ų137.573%0.72782%0.815SS**  trans-141.7-164.2-156.900000115.7
744S27.5Very low32.7Very low112 Ų112138 Ų13878%0.78381%0.812SS**  trans88.4146.6-179.9840000115.6
745Q27.9Very low32.7Very low178 Ų178138.7 Ų138.783%0.83281%0.806SS**  cis-136.1161.13.6-70.7-176.5-8.200112.6
746P37.3Very low32.9Very low124 Ų124141.2 Ų141.281%0.80580%0.799SS**  trans-135166.1144.939.3-27.9000113.9
747S29.4Very low33.2Very low111 Ų111143.6 Ų143.678%0.77680%0.802SS**  trans-171.1163.6173.5-84.30000111.3
748P52.3Low34.4Very low112 Ų112140.8 Ų140.873%0.72779%0.793SS**  cis-137.3171.8-34.239.4-24.5000113.5
749L27.8Very low35.4Very low175 Ų175137.1 Ų137.192%0.91679%0.786SS**  trans-176.9174.2136.5-99.3161.3000112
750Q34.3Very low35.1Very low176 Ų176139.9 Ų139.982%0.82279%0.79SS**  trans-131.7-171-156.4-70.8-171.5-19.200112.9
751P50.7Low35.3Very low118 Ų118141.9 Ų141.977%0.76679%0.786SS**  -139.1164.9-57.639.2-23.7000115.8
752A30.4Very low35.1Very low90 Ų90142 Ų14274%0.74478%0.783SS**  trans-166.8126.4150.300000108.9
753Q32.6Very low34.7Very low194 Ų194143.3 Ų143.391%0.90778%0.782SS**  58.3126.677.4-65.7-16713.900114.9
754A32.3Very low34.9Very low89 Ų89147 Ų14774%0.73678%0.784SS**  cis-166.4171.8-5.700000113.8
755R29.1Very low35.1Very low212 Ų212148 Ų14880%0.879%0.785SS**  trans80125.5149.6-89.9-174.7141.2174.4-6.8123.8
756Q32.2Very low35.2Very low159 Ų159147.8 Ų147.874%0.74378%0.784SS**  trans98.5168130.1-82.4172.5-51.300121.9
757Q31.9Very low35.2Very low187 Ų187146.3 Ų146.387%0.87478%0.783SS**  trans-132.2179.9-141.7-115.5-167.8-9.200111.7
758P53.1Low35.9Very low109 Ų109147 Ų14771%0.70879%0.785SS**  trans-82.1-168.7-160.140.9-43.8000113.3
759P49.7Very low35Very low109 Ų109148 Ų14871%0.70879%0.789SS**  cis-152.8-178.521.246.3-24.1000121.5
760Q32.3Very low35.5Very low157 Ų157144.1 Ų144.173%0.73478%0.776SS**  trans44.8116.8143.1-70.9-878.600120.9
761H31.2Very low35.4Very low157 Ų157142.8 Ų142.873%0.72777%0.774SS**  176.9143.3103.9-108.5-86.1000115.6
762Y29.3Very low34.4Very low198 Ų198144.9 Ų144.978%0.77677%0.773SS**  trans49116.2141.5-122.6-107.4000122.8
763L31Very low34.3Very low154 Ų154144.1 Ų144.181%0.80676%0.762SS**  -173.9145.2108.5-104.7168.4000112.8
764Q30.7Very low34.2Very low166 Ų166142.3 Ų142.378%0.77675%0.754SS**  trans-143.2134.9174.7-179.6-178.9400108.8
765V31.4Very low34Very low133 Ų133145.2 Ų145.281%0.80675%0.752SS**  trans-138.7142.2176.4179.90000109.3
766Q30.5Very low34Very low173 Ų173141.8 Ų141.881%0.80875%0.745SS**  trans-106.4169.5-176.5-68.5174.6-63.100112.6
767A36.9Very low33.9Very low94 Ų94140.5 Ų140.578%0.77774%0.743SS**  trans-79.2159.9175.400000113.2
768P43.6Very low33.7Very low126 Ų126136.9 Ų136.982%0.81874%0.739SS**  trans-94.1154.9174.536.4-33.8000114.1
769T34.7Very low32.6Very low133 Ų133139 Ų13982%0.81674%0.743SS**  trans-119.1175.816951.90000109.6
770S36.9Very low31.7Very low92 Ų92140.6 Ų140.664%0.64375%0.745SS**  162.9178.776.648.40000113.9
771L33.2Very low31.4Very low148 Ų148139.8 Ų139.878%0.77575%0.745SS**  trans82.3150.2168.5-42.4-172.8000115.2
772H30Very low31.2Very low162 Ų162137.4 Ų137.475%0.7575%0.746SS**  cis-167.6166.7-18-115.5-57.7000107.4
773S28Very low31Very low74 Ų74133.5 Ų133.552%0.51774%0.743SS.*  cis-160.1177.5-5.6-150.80000112.5
774E29.6Very low30.9Very low156 Ų156136.7 Ų136.773%0.72975%0.746SS**  trans47.4114.6148.1-80.6148.5111.600125.6
775Q28.8Very low30.8Very low151 Ų151133.5 Ų133.571%0.70674%0.742SS**  61.8110.2124.9-77.9-172-89.100125.5
776Q29.8Very low30.7Very low139 Ų139135.9 Ų135.965%0.6574%0.744SS**  76.9129118.4-87.7179.7-87.800125.9
777D28.7Very low30.7Very low132 Ų132135.9 Ų135.971%0.70674%0.744SS**  trans85149.2137-66.7-28.1000124.6
778S27.8Very low31.2Very low111 Ų111137.2 Ų137.278%0.77675%0.745SS**  trans96.370.6161.3-510000121.3
779L30.8Very low30.5Very low153 Ų153134.9 Ų134.980%0.80174%0.744SS**  39.2122.4114.4-67.5175.1000123.1
780L29.7Very low30.3Very low144 Ų144135 Ų13575%0.75475%0.745SS**  trans85.6131.4131.6-60.1168.8000124.5
781L27.4Very low30.2Very low140 Ų140138.8 Ų138.873%0.73376%0.757SS**  trans62.3112.4144.3-91.777.8000124.3
782S25.5Very low30Very low106 Ų106135.2 Ų135.274%0.74176%0.756SS**  40.5148.5109.7-50.90000124.5
783T25.9Very low30.2Very low117 Ų117138.4 Ų138.472%0.71876%0.763SS**  trans115.7123.6136.1-31.10000117.7
784Y28.2Very low31Very low221 Ų221140.8 Ų140.887%0.86778%0.777SS**  trans10.6145.7154.6-69.9-109.1000120.3
785S29.2Very low31.4Very low99 Ų99142.2 Ų142.269%0.69278%0.783SS**  178.4166.757.473.30000115.7
786Q28.9Very low32.2Very low182 Ų182140.4 Ų140.485%0.8579%0.785SS**  trans73.4157.6146.5-71.9-72.83.800123.3
787Q30.9Very low33.2Very low174 Ų174139.7 Ų139.781%0.81379%0.792SS**  trans-105.7-169.9-176-107.1-172.312.200111.2
788P46.8Very low34.3Very low121 Ų121139.8 Ų139.879%0.78680%0.8SS**  cis-136.3-177.210.743.1-24.8000116.7
789G29.5Very low34.9Very low78 Ų78139 Ų13980%0.80480%0.8SS**  trans166.8101.2165.200000117.3
790T30.7Very low35.2Very low135 Ų135140.8 Ų140.883%0.82880%0.804SS**  trans-74139.6-177.2-43.80000115.1
791L34.3Very low36.3Very low171 Ų171139.4 Ų139.490%0.89580%0.804SS**  162.6138.6127-89.8164.4000115.5
792G28.7Very low36.8Very low73 Ų73141.6 Ų141.675%0.75381%0.81SS**  trans96.5121.2144.200000119.9
793Y36Very low37.9Very low229 Ų229142 Ų14290%0.89881%0.81SS**  trans-122.2144.3160.6-104.8-75.4000109.5
794P44.1Very low38.2Very low125 Ų125144.5 Ų144.581%0.81282%0.818SS**  trans-139.9-176.8133.329.6-10.6000114.6
795Q38.7Very low38.4Very low186 Ų186145.2 Ų145.287%0.86982%0.82SS**PPolyproline II helixtrans-82.9167.1-166.1-79.4178.5-79.500116.8
796P44.1Very low39.7Very low113 Ų113146 Ų14673%0.73482%0.822SS**PPolyproline II helixtrans-79.5162.6179.632.7-38.1000115.7
797P51.7Low40.6Very low124 Ų124142.3 Ų142.381%0.80581%0.814SS**PPolyproline II helixtrans-85.4171.1-176.235-37000115.8
798P52.3Low40.6Very low133 Ų133145.4 Ų145.486%0.86482%0.818SS**  trans-112.7-171.3-155.743.4-36.5000116.2
799A39.8Very low39.8Very low95 Ų95150.6 Ų150.679%0.78582%0.822SS**  trans-135.3144.6177.100000113.3
800Q37.7Very low39.8Very low191 Ų191152.4 Ų152.489%0.89382%0.817SS**  trans168.4177162.1-103.7-172.834.700109.5
801P52.5Low39.7Very low114 Ų114151.1 Ų151.174%0.7481%0.814SS**  cis-130.8-177.73.336.5-16.6000116.3
802Q36.5Very low39.5Very low186 Ų186147.5 Ų147.587%0.86980%0.803SS**  trans-107.2167.6162.2-75.3-171.3-8.500111.7
803P50.2Low39.6Very low114 Ų114151.6 Ų151.674%0.7481%0.807SS**  trans-142.1129.3147.331.8-13000118
804L31Very low39.3Very low170 Ų170145.4 Ų145.489%0.8980%0.797SS**  trans72.5147.4131.4-60.7167.9000124.4
805R32.4Very low38.7Very low237 Ų237147.3 Ų147.389%0.89480%0.795SS**  trans-117.5-172165.5-71.3179.2165.3-177.9-4.1108
806P56Low38.4Very low115 Ų115143.1 Ų143.175%0.74779%0.786SS**  cis-133.7-131.23.538.4-12.9000111
807P49.5Very low37.8Very low105 Ų105143 Ų14368%0.68279%0.788SS**  cis-138.8163.4-27.736.5-16.8000118.8
808R30.9Very low36.8Very low238 Ų238140.2 Ų140.290%0.89878%0.782SS**  trans76.9151.1140-97.7-178.4171.3174.7-1.7124.4
809R29.8Very low35.9Very low230 Ų230141.4 Ų141.487%0.86878%0.781SS**  trans76.1158.3160.2-76.7-170.6170168.3-3.1118.7
810V28.9Very low35.4Very low116 Ų116144.9 Ų144.970%0.70378%0.78SS**  cis178.6149.5-42.1127.80000109.2
811S29Very low35.3Very low108 Ų108143.8 Ų143.876%0.75578%0.776SS**  trans63161.3170.938.80000117.5
812S29Very low35.3Very low95 Ų95143.4 Ų143.466%0.66477%0.773SS**  cis-173.3151.7-15.648.40000112.8
813L31Very low36.5Very low159 Ų159139.6 Ų139.683%0.83276%0.764SS**  trans63.3150.8142.6-70.9166.6000123.2
814S30.7Very low36Very low100 Ų100149.3 Ų149.370%0.69979%0.786SS**  trans71.9151.2157.1-63.80000118.5
815E31.2Very low36.3Very low165 Ų165148.3 Ų148.377%0.77178%0.781SS**  cis-152.3169.35-138170.8109.300114.1
816S31.6Very low36.5Very low97 Ų97143.6 Ų143.668%0.67878%0.775SS**  trans22.6147.5152.266.40000121.9
817S32.6Very low35.4Very low111 Ų111145.2 Ų145.278%0.77678%0.777SS**  cis-145.917017.5-48.60000109.5
818G30Very low34.6Very low66 Ų66147.6 Ų147.668%0.6878%0.782SS**  cis84.1118.824.600000110.8
819L32.7Very low34.8Very low158 Ų158141.9 Ų141.983%0.82778%0.775SS**  cis-142.1-1681.3-72.3165.3000107.3
820Q30.7Very low35.1Very low167 Ų167136.1 Ų136.178%0.7877%0.769SS**  cis-155-143.410.9-153.4149.1-26.600111.9
821Q35.7Very low35.6Very low169 Ų169137.5 Ų137.579%0.7977%0.774SS**  trans-165-179.3-173.3-104.1-167.99.200107.1
822P52.9Low36.1Very low105 Ų105139.8 Ų139.868%0.68278%0.775SS**  cis-133.1-125.1-40.139.2-19.3000108.1
823P60.6Low36.7Very low107 Ų107143.5 Ų143.570%0.69578%0.784SS**  -121151.4-55.234.9-20.2000113.9
824R40.4Very low37.2Very low318 Ų318142.1 Ų142.1100%1.278%0.78SS**  -165.80114.4-116.6-178.8179.9173.21.6112.2

Retrieved 824 of 824 residues in 136.5 ms (Link to these results)

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